smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24682049 RSTBZHXPMDHEOI-OAHLLOKOSA-N 393.534 2.662 0 40 GFAB CCc1c(C(=O)N(C)Cc2cc(C)ccc2OC)cnn1-c1ccc(OC)nn1 24625470 PXMRLQIGPBGTLZ-UHFFFAOYSA-N 395.463 2.823 0 40 GFAB CC(C)n1c(CCNC(=O)CN2C(=O)CC3(CCCC3)C2=O)nc2ccccc21 79501749 QWAWUSCKYVGRJR-UHFFFAOYSA-N 396.491 2.595 0 40 GFAB Cc1ccc(C)c([C@@H](C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 25638020 QIQDRYYUJPFVDT-MRXNPFEDSA-N 375.494 2.892 0 40 GFAB Nc1cc(N)nc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 3605727 MMEQLANOFGGVLO-UHFFFAOYSA-N 381.461 2.951 0 40 GFAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O 4849490 RHJNURGZMZLYEZ-UHFFFAOYSA-N 384.461 2.521 0 40 GFAB O=C1NC(=O)[C@@H]2[C@H]1[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)cc1 4938131 XHBDMFVZFBXFPL-MHORFTMASA-N 393.830 2.577 0 40 GFAB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OCC 6935175 RCFKPVRKZDEWQP-XNTDXEJSSA-N 381.388 2.545 0 40 GFAB CN(C)[C@@H]1CCN(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)C1 108525004 HJEPPJYNMJICBH-QGZVFWFLSA-N 387.505 2.828 0 40 GFAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1C 8330602 VIWIHTSOJFSYMG-AWEZNQCLSA-N 390.461 2.575 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1 8412741 KKDQDHKLFRQUMW-UHFFFAOYSA-N 398.415 2.764 0 40 GFAB CC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 55409770 ZUPJKEOOTRCNDT-UHFFFAOYSA-N 386.496 2.882 0 40 GFAB Fc1ccc(-c2n[nH]cc2CNC[C@@]2(N3CCOCC3)CCSC2)cc1 58264646 YHLBBWPBTZREAD-IBGZPJMESA-N 376.501 2.513 0 40 GFAB CN(CC(=O)N(CC(F)(F)F)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 58263923 ARPNMOZVQKKWKO-UHFFFAOYSA-N 384.807 2.514 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)CSc3nccn3C)cc2F)C[C@@H](C)O1 58429843 AAJVGXFSLHRDJO-CHWSQXEVSA-N 378.473 2.904 0 40 GFAB Cc1cccc(C(=O)N2CCCN(C(=O)N[C@H]3COc4ccccc43)CC2)c1 58577012 CMENOGRKVJSENQ-IBGZPJMESA-N 379.460 2.986 0 40 GFAB CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)o1 25067322 FVNHAXNCEKMKFZ-UHFFFAOYSA-N 376.356 2.935 0 40 GFAB Cc1cc(C)n2nc(C(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)nc2n1 28683378 RJZZHZKRJFCEPI-LLVKDONJSA-N 385.497 2.682 0 40 GFAB CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3cc(C)ccn3)c2n1 36621352 DLQCXQQLPXQQPZ-UHFFFAOYSA-N 375.379 2.888 0 40 GFAB O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)N1CCCCC1 102155438 ZMTXTZVBIWXYBD-FZWBFHRNSA-N 376.456 2.870 0 40 GFAB CN(C)C(=O)CSc1ccccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 36866430 OAGVCRFJIGIANT-UHFFFAOYSA-N 386.473 2.868 0 40 GFAB CC(=O)Nc1cccc([C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 59934024 FOCMVENHGZUVAM-ZDUSSCGKSA-N 380.400 2.936 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1cccs1 11966527 HUVIESVUNAMQNY-KRWDZBQOSA-N 385.489 2.980 0 40 GFAB Cc1ccnn1[C@H](C)C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 2778017 LZAKFXYFQWXNHC-ZYHUDNBSSA-N 385.493 2.727 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@@H](C)c1cccc(Cl)c1 12740228 BYCRBJYYVLRJCQ-NSHDSACASA-N 399.882 2.908 0 40 GFAB CCCN(Cn1nc(-c2ccccc2)n(CC)c1=S)[C@H]1CCS(=O)(=O)C1 12792329 CJQJVRLBRXABJI-INIZCTEOSA-N 394.566 2.958 0 40 GFAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(Br)cc2F)c1 25219211 BBRAPKNTPGQJSZ-UHFFFAOYSA-N 397.200 2.713 0 40 GFAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)cc1Cl 12917862 RUKXQWPYXHWPEO-INIZCTEOSA-N 398.887 2.658 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc3ccccn23)c1 3545193 OOPMYRYSCCYVTI-UHFFFAOYSA-N 396.881 2.517 0 40 GFAB CCN(CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C(=O)O)cc1 13313890 WXMPMUMTUUBZGQ-UHFFFAOYSA-N 376.478 2.705 0 40 GFAB O=C(NCCCn1cnc2ccccc21)[C@H]1CCCN1C(=O)c1cccs1 9378486 VTNCTXWSMDFLFY-QGZVFWFLSA-N 382.489 2.909 0 40 GFAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 14225029 MBWDXQIDFWIBCR-UHFFFAOYSA-N 382.507 2.594 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc(NC(C)=O)c1 6785636 IGFHIVCSTQZHFA-UHFFFAOYSA-N 386.404 2.806 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C 4947618 KQEHASVXZLBXIL-UHFFFAOYSA-N 386.433 2.886 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 5933533 FQPRNOICFIYFPC-UHFFFAOYSA-N 397.294 2.881 0 40 GFAB CC(=O)Nc1cccc(-c2nc(SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)n[nH]2)c1 408638857 UCLNJZCVMSKTAB-HEHGZKQESA-N 385.493 2.827 0 40 GFAB O=C(COC(=O)CCC1CCCC1)NCC(=O)Nc1ccc(F)c(F)c1F 7483904 LBPSUDAECVKHSK-UHFFFAOYSA-N 386.370 2.672 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 15879979 BDYTZIITBNJYJX-BETUJISGSA-N 380.491 2.798 0 40 GFAB O=C([C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCOCC1 9742421 WLWHMWBXDAKAQK-OAQYLSRUSA-N 379.460 2.825 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCO2 8290649 ZXBMQYUNCDCGSV-UHFFFAOYSA-N 388.445 2.842 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)NCc1ccco1 8389226 VMHWVNDWXCNVTG-LBPRGKRZSA-N 394.269 2.617 0 40 GFAB CC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8427949 WQVGFHONKUMZRC-CQSZACIVSA-N 380.400 2.652 0 40 GFAB Cn1c(=O)/c(=C/c2cc(Cl)cc(Cl)c2O)s/c1=C\C(=O)c1ccco1 96997977 MISIRQUKHQGFSL-IMOXEJQSSA-N 396.251 2.544 0 40 GFAB CN1CCN(Cc2nccs2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 306134192 NFMBRTHALIQDIK-GOSISDBHSA-N 391.504 2.737 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c(C)n1C 8719021 HECUSFSZXPQNOK-QFIPXVFZSA-N 379.460 2.998 0 40 GFAB CC(C)c1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)c2cnn(C(C)C)c2n1 8855687 LMSZCZVSBWFUMG-UHFFFAOYSA-N 383.496 2.830 0 40 GFAB CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 20139203 FQWCCGJWSZCOPY-GOSISDBHSA-N 394.479 2.569 0 40 GFAB CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC 408530434 LRUZDWSRHZSDJJ-UHFFFAOYSA-N 382.869 2.598 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1)N1CCCCCC1 408596837 SMQTVTFTAWJSHQ-UHFFFAOYSA-N 388.493 2.968 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)nc1 25394040 TWLRVIQQHUPNTP-LJQANCHMSA-N 397.479 2.703 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36707994 DZSCZCFEGNMOKW-UHFFFAOYSA-N 396.925 2.784 0 40 GFAB CCOC(=O)c1ccc2nc(NC(=O)c3cccc(-n4cnnn4)c3)sc2c1 32622271 OYNUWJYKWWVNIA-UHFFFAOYSA-N 394.416 2.701 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1322877 LPFOJAZBLLAXDA-UHFFFAOYSA-N 378.384 2.692 0 40 GFAB biogenic O=c1c(/C=c2\sc3nc4ccccc4n3c2=O)cc2cccc3c2n1CCC3 36625739 DJORDIRJHSCTGL-PDGQHHTCSA-N 385.448 2.718 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 408597617 VNRAAKNIFJQRTA-HNNXBMFYSA-N 380.510 2.759 0 40 GFAB COc1cc2nc(NC(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)[nH]c2cc1OC 527196077 KKAHMXJTKIRWQO-XYHOJCAOSA-N 385.342 2.875 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)c1 408586862 CJTLEZFFYIKTHR-UHFFFAOYSA-N 392.477 2.647 0 40 GFAB CN(C)Cc1ccc(CN2CCc3c(nc4cc(C5CC5)nn4c3O)C2)cc1 72339352 CSNNMNDPZRYKJZ-UHFFFAOYSA-N 377.492 2.932 0 40 GFAB O[C@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@H]3N2Cc2ccc(F)c(F)c2)C1 72327874 NPVXKNBCAHSKIM-AUSJPIAWSA-N 386.446 2.978 0 40 GFAB Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2CC(=O)N1CCCC1 32093141 OXWQCRSBHFKRDV-UHFFFAOYSA-N 397.460 2.605 0 40 GFAB CN1C(=O)N(CC(=O)Nc2nc(-c3ccncc3)cs2)C(=O)C12CCCCC2 71287492 HUSORBQJZRFLLY-UHFFFAOYSA-N 399.476 2.741 0 40 GFAB CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nn12 32102565 UPURDOXDJAALDN-KRWDZBQOSA-N 378.480 2.781 0 40 GFAB COC(=O)c1cn(C(=O)c2ccccc2N(C)S(C)(=O)=O)c2ccccc12 222590518 DLTAKCAGHDBGMY-UHFFFAOYSA-N 386.429 2.512 0 40 GFAB CCn1cc([C@@H]2CN(C(=O)c3cn(-c4cccc(F)c4)nc3C)CCO2)cn1 574857232 ALIJBRKIDZAUDI-IBGZPJMESA-N 383.427 2.750 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C2CC2)o1 68413762 QQZDIISLPHFERF-AOAZVRACSA-N 385.464 2.662 0 40 GFAB CC[C@H](NC(=O)COc1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 222794789 POQKSJUFOPDSPM-SFHVURJKSA-N 377.462 2.745 0 40 GFAB CNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4C)csc3c(=O)[nH]2)C1 49421403 ISOZWPWRXORSNA-ZDUSSCGKSA-N 382.489 2.922 0 40 GFAB O=C(c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1)N1CCOCC1 224304283 JHODIILTEIEIHA-UHFFFAOYSA-N 394.471 2.846 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225791462 WDAAGOVPDYTJOV-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 44847398 BZQBMRICQWPDAE-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COCC1CC1 40129510 SBQJQCXYTDZALS-UHFFFAOYSA-N 396.509 2.625 0 40 GFAB Cc1ccc(C(=O)NCCCc2ccco2)cc1N1CCCCS1(=O)=O 224403154 YWPGZJDVXYNQPB-UHFFFAOYSA-N 376.478 2.881 0 40 GFAB Cn1cc(-c2n[nH]cc2C(=O)N2CCCN(c3ccccc3Cl)CC2)cn1 579584826 ACIQLNMPNBQFAN-UHFFFAOYSA-N 384.871 2.816 0 40 GFAB COCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96266859 ASHIYGRDSAVDKS-UHFFFAOYSA-N 375.432 2.622 0 40 GFAB COc1ccc(I)cc1S(=O)(=O)N1CCC(C)CC1 95945921 NYONAUGUDBINAF-UHFFFAOYSA-N 395.262 2.720 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccsc1)c1ccco1)c1c(F)cccc1F 253470879 ADLODNXJHIENLC-INIZCTEOSA-N 385.413 2.834 0 40 GFAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)c3cccc(F)c3)ccnc12 257235893 GZZMNWPWFBVSKY-MRXNPFEDSA-N 381.411 2.595 0 40 GFAB CCN(c1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1)S(C)(=O)=O 260772967 XXUXBKRCDAYZDU-CQSZACIVSA-N 376.478 2.972 0 40 GFAB NC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)cc1 591120769 LRCLTZFJIVXOHM-IBGZPJMESA-N 389.411 2.534 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccccc2)c(C)c1 90597975 YHCHMLBOSOUBRJ-KRWDZBQOSA-N 376.478 2.746 0 40 GFAB O=C(Cc1csc(-c2ccccn2)n1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 604404020 IITMYYXMBMZSEQ-RVKKMQEKSA-N 396.516 2.607 0 40 GFAB biogenic O=C([C@@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 585095080 DDOJQSPOQFOGPD-IRLDBZIGSA-N 389.455 2.814 0 40 GFAB CCN1CCN(C(=O)CCN)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183635 WHUQPQQYIHZQKT-NRFANRHFSA-N 393.531 2.860 0 40 GFAB CCCNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 46613005 MCAGQOUSJKIOIC-INIZCTEOSA-N 395.459 2.827 0 40 GFAB O=C(CN1CCc2sccc2C1)N1Cc2ccccc2[C@@H](n2cccn2)C1 84582094 YUZVBVWFIPPTGA-IBGZPJMESA-N 378.501 2.935 0 40 GFAB O=C1CC[C@H](C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)CN1 96998471 LABYKBIWSHBOHW-LBPRGKRZSA-N 377.238 2.852 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](Oc4nccs4)C3)CC2=O)cc1C 585320356 XLSHDMXFFMMGGG-RDJZCZTQSA-N 385.489 2.793 0 40 GFAB C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 1569984096 QJPCKAJTLHDNCS-ODZXTWGBSA-N 390.520 2.719 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)o2)cc1 1775966305 XDJYMBIDCGRPNY-HNNXBMFYSA-N 390.417 2.510 0 40 GFAB CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)cc1 5156394 QUVXUQCICSLZHL-UHFFFAOYSA-N 386.429 2.614 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 5192924 MKKWTJZKABSJKF-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 5397469 KABSDWLGWHKSKU-UHFFFAOYSA-N 391.427 2.883 0 40 GFAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)CCn2nccc2C)CC1 12143913 RVAUVUOYUMPAQD-UHFFFAOYSA-N 391.475 2.627 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21 13610247 BWDDJSFPSBWXOZ-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13680230 RTCQCAADJRCQEP-KRWDZBQOSA-N 380.554 2.966 0 40 GFAB CC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)c1ccc(Cl)nc1)n2C 13691604 VDGWTQCZDPNHJA-UHFFFAOYSA-N 385.855 2.943 0 40 GFAB CCOc1cc(CNCCCN2CCOCC2)c(Br)cc1OC 13915710 AVNXVKOLEBPCDJ-UHFFFAOYSA-N 387.318 2.668 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 14313180 ATVCHWXDSIAGKM-CYBMUJFWSA-N 396.896 2.847 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(-c4cnccn4)nc3C2)c(C)c1C 19577396 VSWORJXMEDCYJK-UHFFFAOYSA-N 377.448 2.823 0 40 GFAB COc1cccc2cc(CN3C[C@H](NC(C)=O)CC34CCN(C(C)=O)CC4)oc12 19704134 CAYZDYSAOALQRS-GOSISDBHSA-N 399.491 2.533 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@@H](C)CCCC(C)C)[C@@H]4C2=O)no1 9183762 XCLJIXXMLYMVTE-HXLNDQMISA-N 387.480 2.600 0 40 GFAB Cc1c(C(=O)NCCc2ccc(OC(F)F)cc2)sc2ncn(C)c(=O)c12 16500459 IOEGIOAZNNNYDW-UHFFFAOYSA-N 393.415 2.877 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)c(C)c1 3367999 OHFMLRVCECJTIJ-UHFFFAOYSA-N 379.489 2.956 0 40 GFAB CC(C)c1nc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)nc(O)c1F 1888876450 QFANVIRHKKTLTM-UHFFFAOYSA-N 383.427 2.660 0 40 GFAB O=C(COc1cccc(F)c1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909285 NEIYMUFJOFMPQG-HXUWFJFHSA-N 377.387 2.776 0 40 GFAB Cc1nc(CN2CC3(CCN(C(=O)c4ccc(O)cc4)CC3)CC2=O)cs1 1565556287 QNFHFAPHTYJWMI-UHFFFAOYSA-N 385.489 2.812 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N3CCCN=C3S2)cc1 2728892 UEIVHNHCDRVWAF-HNNXBMFYSA-N 389.477 2.676 0 40 GFAB CCN1C(SCC(=O)N(C)c2ccccc2)=NS(=O)(=O)c2ccccc21 21657703 IQFBEOSGQDVKTB-UHFFFAOYSA-N 389.502 2.967 0 40 GFAB O=C1c2cc(NS(=O)(=O)c3cccnc3)ccc2OCC[C@H]2CCCCN12 49030396 HHOCUKQIEGKDFR-OAHLLOKOSA-N 387.461 2.660 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)n1 575614052 VTCOSBIGLYMQRV-INIZCTEOSA-N 384.436 2.575 0 40 GFAB COc1ccc(C(=O)Nc2cc3c(cc2C)N(C)S(=O)(=O)N3C)cc1F 575613164 QAEQLFDWQZNHQX-UHFFFAOYSA-N 379.413 2.526 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19336668 XWQBINUPYJOEDD-GOSISDBHSA-N 393.422 2.894 0 40 GFAB COc1ccc(C2=NO[C@H]3[C@H]4C[C@@H]([C@@H]23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]42)cc1 13689088 HCESIQRAMXQCCX-JJMGOROYSA-N 388.423 2.870 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 40071824 HKXPEWHRNWGLCE-FQEVSTJZSA-N 393.422 2.553 0 40 GFAB COc1ccc(CNC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 40139369 RAGBIFNNWTXCCE-ZDUSSCGKSA-N 377.466 2.627 0 40 GFAB Cn1ccnc1COc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1 40135429 GWKKTWWKTVTFNJ-UHFFFAOYSA-N 390.487 2.957 0 40 GFAB O=C(CCCc1ncc(-c2ccccc2)o1)NCc1cccnc1-n1cncn1 40108958 LJUFAHPLBXTNPX-UHFFFAOYSA-N 388.431 2.956 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cc1F 102185490 LIWLHLXVFPKUMR-SNVBAGLBSA-N 387.436 2.861 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 32911724 FLEKLXNTWXRWNR-NRFANRHFSA-N 397.450 2.814 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CCCCCCC1 22962127 GBLOOVPEYYLWJD-LJQANCHMSA-N 378.538 2.992 0 40 GFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc(OC)c1OC 909959 FMMCXLJMWMFGDU-HNNXBMFYSA-N 378.425 2.682 0 40 GFAB O=C1CNC(=O)N1CCOC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 30801267 FTIGVAQGMLNOHQ-UHFFFAOYSA-N 384.354 2.612 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)N1CCCCC1 905154 CBYGINNUDXCLDM-INIZCTEOSA-N 387.509 2.624 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(I)cc1 31038220 XEZWGSMHURYAMN-ZDUSSCGKSA-N 395.196 2.861 0 40 GFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)c1c[nH]c2ccccc12 1610321 DOQZXGQHTSGILQ-GOSISDBHSA-N 375.384 2.644 0 40 GFAB CC(=O)Nc1ccc(OS(=O)(=O)C(F)(F)C(=O)N(C)c2ccccc2)cc1 3097882 ROCUKTLEGCUILL-UHFFFAOYSA-N 398.387 2.609 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 3515197 SMBHSHCJCLWYGU-UHFFFAOYSA-N 387.490 2.934 0 40 GFAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Br)cc1 6392541 ADMNNMOVHCKUDJ-UHFFFAOYSA-N 378.251 2.675 0 40 GFAB O=C1CCc2ccc(OCc3noc(C(=O)NCc4cccc(F)c4)n3)cc2N1 20734651 RNODCTRZLKENNP-UHFFFAOYSA-N 396.378 2.602 0 40 GFAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 101659738 XCDQNQOMMMNKBJ-KASCEWHMSA-N 387.520 2.946 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 45644749 ORVMXSHSBFLIKK-DJJJIMSYSA-N 377.400 2.818 0 40 GFAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 32799992 UOOXNZFIEZISDU-GFCCVEGCSA-N 388.445 2.842 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1Cl 32814365 YKLYHJJQIOIWDL-UHFFFAOYSA-N 391.836 2.639 0 40 GFAB CCCOC(=O)c1ccc([C@@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533869 DDVOFGNAPQCJLY-QGZVFWFLSA-N 388.265 2.858 0 40 GFAB COC(=O)CCCN(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 32900496 RETYDTDMZFDIDY-UHFFFAOYSA-N 381.432 2.939 0 40 GFAB Cc1ccsc1/C=C/C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32983272 SJBKIYHHGZFSFR-IPLHWJFFSA-N 398.484 2.581 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1C1CCCC1 8133664 RHNHRPIZRCKLTR-GFCCVEGCSA-N 386.481 2.644 0 40 GFAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 100766701 HSSZLNUCBKRYPI-RAUXBKROSA-N 383.536 2.744 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2cccc(F)c2)NC(=O)N3)cc1 12345819 VUBBCYGNFJWZRN-IBGZPJMESA-N 381.407 2.527 0 40 GFAB Cc1cccnc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 25050326 WEGKJQHLOXNGJZ-UHFFFAOYSA-N 375.494 2.995 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 20019738 RBNAPYWVAJOTDJ-UHFFFAOYSA-N 384.404 2.671 0 40 GFAB Cc1ccc(-n2cnnn2)cc1NCC(=O)Nc1ccc(N2CCCC2)cc1 55855968 GPRKRPNROKHHDU-UHFFFAOYSA-N 377.452 2.622 0 40 GFAB O=C(C1CC1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 12526618 KEUVJZCGPFASTE-UHFFFAOYSA-N 375.900 2.637 0 40 GFAB CN1C(=O)c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2C1=O 57718187 BFUPLZSSRKOWRU-UHFFFAOYSA-N 378.306 2.949 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)c1 64787893 QYFPSCHGFADMPP-UHFFFAOYSA-N 382.445 2.846 0 40 GFAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc2c(c1)OCCCO2 44892358 NQHVRZKWWXZHDM-MRXNPFEDSA-N 395.415 2.967 0 40 GFAB CCc1ccc(NC(=O)CNc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1 58209887 MDOLNUPQGZDZGP-SFHVURJKSA-N 381.476 2.897 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)C12CC3CC(CC(C3)C1)C2 12680123 WIAUFQKVZAQHPG-ZQKRVRBUSA-N 399.491 2.768 0 40 GFAB O=C(NCCSC1CCCC1)Nc1ccc(CC(=O)N2CCOCC2)cc1 48161917 BAQUFHOWVLXRJX-UHFFFAOYSA-N 391.537 2.885 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 3363909 RYOZNPDHKUDYOK-KRWDZBQOSA-N 376.478 2.640 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)cc1 20111029 ONEMSDDYASYQLE-QGZVFWFLSA-N 394.468 2.868 0 40 GFAB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1CC(F)(F)F 12768019 NXSBYYIXTYAKDJ-UHFFFAOYSA-N 379.342 2.905 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 12918689 DKJNAVLIPNPXDK-CQSZACIVSA-N 391.427 2.689 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CNC(=O)c2ccccc2Cl)c1 8355511 IWDHWAGERRDVKN-LBPRGKRZSA-N 376.840 2.964 0 40 GFAB CCc1ccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 13012057 HCYSIIWTAUITSD-GOSISDBHSA-N 385.489 2.951 0 40 GFAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)C(=O)O)n2C 4000219 SEHLGCZJWISKIF-HNNXBMFYSA-N 382.416 2.621 0 40 GFAB biogenic O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(=O)[nH]c2ccccc12 13778734 DVOCCCFOLCHVHP-UHFFFAOYSA-N 397.456 2.565 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2nccnc2N)c2ccccc2)c1 14059568 KMAASNPLUSUWAW-SFHVURJKSA-N 390.399 2.798 0 40 GFAB CCN1C(=O)[C@](O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21 4555039 ADSJZMXFXBYGCB-KRWDZBQOSA-N 392.253 2.616 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)o2)cs1 14200823 YVVUVZQHHMUNCG-GASCZTMLSA-N 399.472 2.669 0 40 GFAB COc1cccc(C(N)=O)c1OC(=O)COc1ccc(Br)cc1 6508593 KAHMBJRCDKATEI-UHFFFAOYSA-N 380.194 2.541 0 40 GFAB Cc1ccc(CNC(=O)COC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 5936174 QZNNSZMIWZNOML-NRFANRHFSA-N 396.487 2.917 0 40 GFAB O=C(CCNC(=O)c1ccccc1)Nc1nc2ccccc2nc1N1CCCC1 8747996 CJSNCVBZIHOIAX-UHFFFAOYSA-N 389.459 2.989 0 40 GFAB Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc2c(c1)OCCO2 9096195 JUVOKEVIOJUJCF-UHFFFAOYSA-N 388.493 2.748 0 40 GFAB CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 9114472 OCHMBASRLVEAMQ-UHFFFAOYSA-N 399.266 2.883 0 40 GFAB O=C1C[C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2c(ccc3nsnc23)O1 96232188 DDZFIBRZLCUFLO-SECBINFHSA-N 393.380 2.703 0 40 GFAB COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 97032845 ZAGCJAYFWUXNIQ-UHFFFAOYSA-N 392.459 2.795 0 40 GFAB COC(=O)CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 78876320 HNQWCIWDLRBOEZ-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB NC(=O)c1ccccc1NCC(=O)Nc1c(O)cc(Br)cc1Cl 552025879 OYZGGBJZEVWXCI-UHFFFAOYSA-N 398.644 2.958 0 40 GFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2)CC1 408628714 WINYIBITYAWBDS-UHFFFAOYSA-N 396.516 2.872 0 40 GFAB COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3ccc4cn[nH]c4c3)C2=O)c1 180162337 QULSMYMEBXKWPN-HXUWFJFHSA-N 380.448 2.817 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c1C 6825372 CQNDWRCAXXGMFD-MRXNPFEDSA-N 389.448 2.967 0 40 GFAB biogenic CSc1nnc(C)n1NC(=S)NC(=O)c1cc(Cl)ccc1Cl 33530878 MMAMWNJAXUAOFU-UHFFFAOYSA-N 376.294 2.874 0 40 GFAB COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc1 16026261 RAWOHIWYAHGABO-LZFQIVBZSA-N 377.444 2.966 0 40 GFAB biogenic COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1Cl 225436876 FKONZZTVHLNWAG-MRXNPFEDSA-N 382.869 2.920 0 40 GFAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1NS(C)(=O)=O 223928567 ORGGCPFAMPPGDG-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB CN(c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 47363142 ZTWNCEPUMALRNP-UHFFFAOYSA-N 392.521 2.546 0 40 GFAB Cc1cc(C(=O)NCCSCc2ccco2)ccc1N(C)S(C)(=O)=O 222473153 YLBXOGFDUQTTIR-UHFFFAOYSA-N 382.507 2.647 0 40 GFAB CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224341363 QZYFGWKSEIEVEJ-OAHLLOKOSA-N 387.521 2.771 0 40 GFAB Cc1ccc2c(CCNC(=O)N3CCC(C)(C)S(=O)(=O)CC3)cn(C)c2c1 577464563 GADZANDCVPJGBA-UHFFFAOYSA-N 391.537 2.638 0 40 GFAB OCCn1ncc(I)c1-c1ccc(Br)cc1 96527424 ZRYHEGWUEHEOAL-UHFFFAOYSA-N 393.022 2.910 0 40 GFAB CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc(Cl)c1 96519951 HBFSYNCOJRYZJA-RKDXNWHRSA-N 395.045 2.746 0 40 GFAB COCCn1c(C)nc2nnc3ccc(C(=O)NCc4ccc(C)o4)cc3c21 96264282 LDMVNSGFMFZOOS-UHFFFAOYSA-N 379.420 2.766 0 40 GFAB COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 240787687 AXVJZSNZGCXFES-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 257305709 SRDFCYUNCBVEOC-WKILWMFISA-N 379.464 2.766 0 40 GFAB C[C@H](OC(=O)[C@@H](C)OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)O 252012300 STRXWPMOCADHPH-SOUVJXGZSA-N 398.411 2.969 0 40 GFAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CS(C)(=O)=O 618238370 XLCZUFMZDCOCNX-OAHLLOKOSA-N 379.400 2.553 0 40 GFAB NC(=O)c1cc2cc(NC(=O)N3C[C@H](c4ccccc4)[C@](F)(CO)C3)ccc2[nH]1 1679759002 FFKVVJGXHHXESL-IIBYNOLFSA-N 396.422 2.599 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(O)nc4ccccc34)C2)c1F 390826779 BWSGFTXSWZGHSP-GFCCVEGCSA-N 382.395 2.725 0 40 GFAB O=C(N[C@@H]1c2nccn2CCC12CCN(C(=O)c1cccc(F)c1)CC2)C1CC1 585091870 PBIGZMDWZGZTHB-GOSISDBHSA-N 396.466 2.916 0 40 GFAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc2ccccc2c(Cl)n1 84594907 VNMOSJSJMZDXAT-OAHLLOKOSA-N 375.881 2.930 0 40 GFAB CC1(C)CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC(C)(C)C1 664132972 CWNKOQCHOCRFMA-UHFFFAOYSA-N 385.505 2.831 0 40 GFAB Cc1cnc(-c2nc(C3CCN(C(=O)Cc4ccccc4F)CC3)no2)cn1 12187426 ZTBLVEDQSAQJMB-UHFFFAOYSA-N 381.411 2.923 0 40 GFAB COc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 12366336 ZXDHHSAMJPHRST-LIMIJEPZSA-N 395.503 2.687 0 40 GFAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)c2cc(C3CC3)nn2C)n1 12747636 SDANPTSLMMCVED-UHFFFAOYSA-N 380.452 2.640 0 40 GFAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1)S(C)(=O)=O 13711410 NGCIQHHFAOSFQJ-MRXNPFEDSA-N 390.461 2.641 0 40 GFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)OC)c1 17793177 HSZQODCKIAKMIU-UHFFFAOYSA-N 398.868 2.807 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 19211496 VLWBYHYXKZYGKG-LJQANCHMSA-N 386.521 2.689 0 40 GFAB O[C@H](CN1CCN(c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCCCO2 19345603 OFYLEEIPLVZSNH-LJQANCHMSA-N 390.430 2.982 0 40 GFAB COc1ccccc1CC(=O)N[C@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C 19445647 YAYMSVPVOMOJIX-NRFANRHFSA-N 392.459 2.897 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19460539 FIRCNUMGFTTXGC-BIZBXSGISA-N 398.846 2.722 0 40 GFAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 19590294 IPQAPFWTLWADSL-HXUWFJFHSA-N 380.492 2.769 0 40 GFAB Cc1noc(CCC(=O)N2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)n1 19693342 ZVTVAKBIIAXBRK-MRXNPFEDSA-N 397.410 2.507 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cnn(Cc2ccccc2F)c1 19715145 ZWMUJIVJHKFNHM-UHFFFAOYSA-N 391.406 2.728 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 35291033 NPLOATUSKZQGDQ-UHFFFAOYSA-N 393.472 2.934 0 40 GFAB COc1cccc(CN2CCN(Cc3ccnc(-c4cccnc4)n3)CC2)c1 19565358 RCUMFVVOFSDPET-UHFFFAOYSA-N 375.476 2.865 0 40 GFAB O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1CN1CCCC1 19654656 DFGWJXBQCPHHRH-GOSISDBHSA-N 381.451 2.957 0 40 GFAB Cc1cn2nc(OCC3CCN(C(=O)c4noc5c4CCCC5)CC3)ccc2n1 1888898043 XLGOYKIWZMHZNE-UHFFFAOYSA-N 395.463 2.836 0 40 GFAB CCn1c(N2C[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3C2)nc2ccccc21 1888913449 KNCYPPMMKAYEMI-HOTGVXAUSA-N 379.464 2.869 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(c4ccnc(C(C)C)n4)CC3)nn2)n1 1889148807 RDOHTQHALJTIQE-UHFFFAOYSA-N 378.484 2.519 0 40 GFAB Cc1noc(C)c1CCC(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 238920212 SYIOOLVRVCHRLR-UHFFFAOYSA-N 380.452 2.571 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@@](O)(c1ccco1)c1cccs1)c1ccccc1 238824785 DMCVOUVIKAKLBG-JLTOFOAXSA-N 384.457 2.571 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3CC)cc2)o1 2720176 RIJJJZKJKCOUEJ-CQSZACIVSA-N 392.481 2.838 0 40 GFAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(Cl)c3)nc21 4338384 VWDVBWJCJBFGPS-UHFFFAOYSA-N 395.806 2.537 0 40 GFAB O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1ccc(Br)cc1 4941271 SCAAXVFGJQYUFM-ZDUSSCGKSA-N 390.299 2.803 0 40 GFAB COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OC)C2 5255134 ZXIIUIRGEUMSQW-UHFFFAOYSA-N 380.447 2.973 0 40 GFAB CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(Cl)c2)n(C)c1=O 10104818 ILMPNUPRTBFTTL-UHFFFAOYSA-N 387.871 2.810 0 40 GFAB Cc1ccccc1NC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 17135917 ZIWXQQPHSSCNDY-FQEVSTJZSA-N 381.476 2.513 0 40 GFAB CCN1CCN([C@@H](c2ccc(OC)cc2)c2sc3nc(C)nn3c2O)CC1 22458910 OEWITFNFISJPDN-INIZCTEOSA-N 387.509 2.540 0 40 GFAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccc(Br)cc1 4499793 QPANFDJGEUGRIE-UHFFFAOYSA-N 391.250 2.583 0 40 GFAB O=C(NC1CC1)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 25108491 QCWLQNLELOHPHN-QGZVFWFLSA-N 378.432 2.694 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCC2)cc1 20068838 GMDTWEADPFJHQL-DLBZAZTESA-N 387.509 2.757 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCC(C)C)cc1 20068868 PBNKJDOSTXEGRM-CVEARBPZSA-N 375.498 2.517 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(C(=O)N2CCOCC2)cc1 55862299 PWQOAGIRDIVDKK-INIZCTEOSA-N 379.460 2.549 0 40 GFAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 107334416 YTSXTFULSLBOKO-SOUVJXGZSA-N 380.485 2.776 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc2c1OCCO2 57116411 FATHKBXVOHCEIS-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c(C)c1 4744617 IDBUACAGYSULOL-UJHHCITNSA-N 377.437 2.638 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491736 VULRQRDMPCQLBL-NSHDSACASA-N 391.880 2.782 0 40 GFAB O=C(Nc1ccccc1)NC1CCN(Cn2nc(-c3cccs3)oc2=O)CC1 57995716 NEEXFDCOLSPYJT-UHFFFAOYSA-N 399.476 2.808 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 3309878 BZNYUWCCLYOEIQ-HXUWFJFHSA-N 375.444 2.822 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@H](C)c1ccccc1 28207390 JTTPOMAUGHAQNI-OAHLLOKOSA-N 376.478 2.502 0 40 GFAB O=C1CCc2cc(OS(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2N1 23053544 HDZLIYBOZIRCBH-UHFFFAOYSA-N 375.402 2.500 0 40 GFAB COC(=O)c1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1 11851812 VNJYUMMPDQBAKM-UHFFFAOYSA-N 396.424 2.671 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 113950339 RAHHJRSBQVQHPG-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB CC(=O)c1ccc(-n2c(C)cn(C[C@@H](O)COc3ccc(F)cc3)c2=O)cc1 60363775 RJCHAPLQHNAKSA-LJQANCHMSA-N 384.407 2.729 0 40 GFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCCCC1 2664799 WYSIBARCILHVBT-UHFFFAOYSA-N 391.471 2.931 0 40 GFAB CCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@H]1c1ccc2c(c1)OCO2 28294168 KRTAZZQPZRYFCY-ZDUSSCGKSA-N 387.417 2.968 0 40 GFAB CCn1ncc([C@H](C)NC(=O)c2cc3ncc(Br)cn3n2)c1C 2792370 GQQUOOSYISIVGA-VIFPVBQESA-N 377.246 2.508 0 40 GFAB Cc1c(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)sc2ncn(C)c(=O)c12 12805722 YPPAHXDNBUCJAO-UHFFFAOYSA-N 396.472 2.582 0 40 GFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCC(F)(F)F 12885973 MJWKIEPEMQOSSB-UHFFFAOYSA-N 390.358 2.700 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1F 3477576 CRKZCAUKCZOJRE-UHFFFAOYSA-N 396.871 2.830 0 40 GFAB Cc1noc(C)c1CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 62615676 AFFUSZJUBDJMIS-UHFFFAOYSA-N 389.930 2.903 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccncc1 113943330 MDLAYCUPJZSGGH-UHFFFAOYSA-N 387.505 2.741 0 40 GFAB CCN(CC)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1 6220002 ZZYUXCYCUCKXNT-UHFFFAOYSA-N 382.507 2.820 0 40 GFAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 6384614 BLHODRPNQRWOFA-AWEZNQCLSA-N 375.446 2.674 0 40 GFAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 22994050 LXWPPXFDSPHBNY-CYBMUJFWSA-N 377.400 2.656 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)cc2Cl)c1=O 6678943 BBGGEUDVYIYCGE-UHFFFAOYSA-N 377.853 2.845 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1Cl 4815375 SQVIPPASUGEADR-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB N#Cc1ccc(OC[C@@H](O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 15240446 CKSTVOMJXFSWLU-NSHDSACASA-N 391.210 2.901 0 40 GFAB Cc1ccc(CN(CCc2ccccc2)C(=O)CN2C(=O)NC(C)(C)C2=O)s1 7320984 VUISNIQZADMMNU-UHFFFAOYSA-N 399.516 2.958 0 40 GFAB O=C(NCCc1ccccc1)c1nc(-c2ccnn2CC2CC2)n2ccncc12 306128978 HQALJRVTHASSDY-UHFFFAOYSA-N 386.459 2.975 0 40 GFAB CC(C)NC(=O)CN(C)CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 7796518 SPEBECCILQUKED-IBGZPJMESA-N 377.485 2.549 0 40 GFAB O=C(Nc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 7777732 ZWTMUGZBWRTWPL-HNNXBMFYSA-N 383.423 2.654 0 40 GFAB Cc1cc(C(=O)CSc2nnc3[nH]c4ccccc4n23)c(C)n1-c1ncn[nH]1 7982073 RNJXLWADBYJQJI-UHFFFAOYSA-N 392.448 2.711 0 40 GFAB O=C(CN1CCC[C@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 8734634 BBRYTRAVOIAJRX-KRWDZBQOSA-N 381.432 2.943 0 40 GFAB O=C(NCCCc1nc2ccccc2s1)c1cc(N2CCOCC2)ccn1 96997363 GALDENWNQNUARU-UHFFFAOYSA-N 382.489 2.891 0 40 GFAB COCCCN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 409245249 PROHXRUAGMEFAT-MHWRWJLKSA-N 388.445 2.887 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(C[C@H]1CCCO1)[C@@H]1CCSC1 89952369 NJCXSYULYIWQIH-QZTJIDSGSA-N 378.538 2.640 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 408627314 ZCVZMEUXQAZUIU-CQSZACIVSA-N 396.896 2.686 0 40 GFAB Cc1nc2cc(NC(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)ccc2s1 70641539 QSIRUJOYKKAZOI-KRWDZBQOSA-N 381.457 2.971 0 40 GFAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1Cl 70636546 NLIVLFCCBZDWAA-INIZCTEOSA-N 386.757 2.845 0 40 GFAB COc1cc(C)c(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1OC 35169059 QBUGPNUOQNAGRW-YBEGLDIGSA-N 395.415 2.544 0 40 GFAB Cc1ncn(-c2ccc(NC(=O)c3ccn(CCn4cccn4)n3)cc2)c1C 1523946276 LHXLWCPJDZCVTR-UHFFFAOYSA-N 375.436 2.835 0 40 GFAB Cc1c(C(=O)Nc2ccc(Nc3ncccn3)cc2)nnn1Cc1ccncc1 552210323 XBBULTLEMCOKMM-UHFFFAOYSA-N 386.419 2.816 0 40 GFAB Cc1nn2cnnc2c(C)c1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 71287858 BSQLJFINNRZPFQ-UHFFFAOYSA-N 398.898 2.676 0 40 GFAB Cn1cc([C@@H]2CN([C@H](C(=O)O)c3ccc(Br)cc3F)CCO2)cn1 563541599 NCMHRSQIYUIUAP-GJZGRUSLSA-N 398.232 2.521 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2CCOC[C@H]2c2ccc(F)cc2)c1C(F)F 569212945 CQEOUJVHRWNFRS-ZDUSSCGKSA-N 389.399 2.567 0 40 GFAB CCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)ccc1O 199431307 OHGIUHVVVBRJCJ-FQEVSTJZSA-N 396.487 2.577 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223254801 WHJNHCBANGPUCN-WOJBJXKFSA-N 392.532 2.801 0 40 GFAB COCc1cccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 224378252 CDHGXVSBIYIUAD-UHFFFAOYSA-N 390.461 2.769 0 40 GFAB Cc1ccc(-n2nnc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1 77100299 SXXQHMXGWFZXKB-UHFFFAOYSA-N 376.464 2.550 0 40 GFAB CCc1c(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cnn1-c1ccc(OC)nn1 40113204 OVFANLAADZOFGO-WMLDXEAASA-N 387.484 2.558 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)ccc1C 223825451 ZKAAZUAFDXNBDM-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 225114573 AXMUQZGLEGUYSV-UONOGXRCSA-N 394.468 2.866 0 40 GFAB Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 96243590 GIEHPJHQJNIJBJ-FQEVSTJZSA-N 394.519 2.608 0 40 GFAB CCN1CC2(CCN(c3cccnc3)CC2)COc2ccccc2S1(=O)=O 96145138 VUHVXRFXYZXKPY-UHFFFAOYSA-N 387.505 2.771 0 40 GFAB Cc1c(C(=O)N2CCCC[C@@H]2C(=O)O)cnn1-c1ccc(C(F)(F)F)cn1 584908614 FDDDXOHAEGUPJX-CYBMUJFWSA-N 382.342 2.674 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]1c1ccc(OC)cc1 257272649 NDHCDXLNAJCVGG-QUCCMNQESA-N 385.464 2.950 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 253399198 INSHSCUICLEDTP-GFCCVEGCSA-N 376.796 2.942 0 40 GFAB C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(-c2ccccc2)cc1 635112014 KGRRCSLSSHVOAY-ZLGUVYLKSA-N 388.471 2.961 0 40 GFAB C[C@@H]1[C@H](NC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)CC(=O)N1Cc1ccccc1 664808730 AHUNTKSRFYAREC-YAXMEFHCSA-N 393.462 2.953 0 40 GFAB C[C@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)c1cscn1 585114114 XAOXVVCLUSXXBT-JTQLQIEISA-N 382.283 2.880 0 40 GFAB Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCC3)c2)cc1F 45095865 MZMLKWVQAQNOCN-UHFFFAOYSA-N 380.416 2.598 0 40 GFAB C[C@]1(NC(=O)CN(Cc2ccccc2)C2CCCCC2)CCS(=O)(=O)C1 40151479 ZLEMDMDQYHSHFB-FQEVSTJZSA-N 378.538 2.515 0 40 GFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cncc(Br)c2)CC1 96120317 UZPLYAKQEBFYCI-UHFFFAOYSA-N 397.317 2.794 0 40 GFAB CSc1nc(C)c(CC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)c(=O)[nH]1 12147543 HMQOXWHXFMZLNS-UHFFFAOYSA-N 391.884 2.531 0 40 GFAB O=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 12822190 AGVLRHVKUADSBB-UHFFFAOYSA-N 386.408 2.598 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 19211307 REGZBIZSOFVRAV-INIZCTEOSA-N 384.461 2.927 0 40 GFAB CC(C)Oc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1 19450670 YRDWOOFUCBRSKK-UHFFFAOYSA-N 377.448 2.572 0 40 GFAB C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 19497122 WTRUZKVVUMXTPP-GJZGRUSLSA-N 395.507 2.597 0 40 GFAB CN(C)CC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3cccc(F)c3)nn12 19581744 XHKDLNGKYJKCCU-QAPCUYQASA-N 379.439 2.685 0 40 GFAB Cc1nn(C)cc1[C@@H](C)NC(=O)CC1CCN(C(=O)Cc2ccccc2)CC1 19748268 KUKZDDPWGWCUNA-MRXNPFEDSA-N 382.508 2.777 0 40 GFAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 5120349 BVFXISACGHADJH-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COc1cc(C)c(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1OC 12120778 VFRFZFISQJGTJQ-UHFFFAOYSA-N 392.459 2.716 0 40 GFAB O=C(c1cncc(-n2ccnn2)c1)N1CCCN(c2ccccc2Cl)CC1 582633875 VKSHJIFCALIQHS-UHFFFAOYSA-N 382.855 2.668 0 40 GFAB CC(=O)NCc1ccc(-c2csc(NC(=O)COc3cc(C)on3)n2)cc1 12388013 YFKKRLAEZRRXEA-UHFFFAOYSA-N 386.433 2.760 0 40 GFAB CC(C)n1c(N2C[C@@H]3CN(C(=O)c4cn(C)cn4)C[C@H]3C2)nc2ccccc21 1888890845 CPIBKBXIKGVMPA-HOTGVXAUSA-N 378.480 2.559 0 40 GFAB Cc1nccc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037839709 BCCHXZJRSVNNBG-NRFANRHFSA-N 384.455 2.712 0 40 GFAB CC(C)c1nc2ccc(C(=O)NC[C@]3(O)CCCN(c4ccccn4)C3)cc2[nH]1 2037880056 RUOGSKGJASXQQF-JOCHJYFZSA-N 393.491 2.843 0 40 GFAB COc1ccc(Cn2cc(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)nn2)cc1 2087073112 RZVJNJWGKAOKBQ-AWEZNQCLSA-N 396.447 2.843 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc(F)c(F)c1 5075980 JASNFVKETSXBDP-UHFFFAOYSA-N 382.388 2.766 0 40 GFAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 13789941 JTHMSAWIVDRVSY-AWEZNQCLSA-N 379.507 2.729 0 40 GFAB COc1ccc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1F 1775973112 HYUABKGIWZYCQG-UHFFFAOYSA-N 397.328 2.737 0 40 GFAB O=C(Cn1cnc2c(c1=O)CN(Cc1ccccc1)CC2)Nc1ccc(F)cc1 49400711 VEQHAHSPPHKBRA-UHFFFAOYSA-N 392.434 2.579 0 40 GFAB Cn1cc(-c2cncc(N3CCN(Cc4csc(C5CC5)n4)CC3)n2)cn1 2298222290 BRWRTZXVKCDUDA-UHFFFAOYSA-N 381.509 2.533 0 40 GFAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c1 19569746 HWHAFWVCNSMBSX-QZTJIDSGSA-N 394.519 2.913 0 40 GFAB NC(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccc(Br)cc1 36394136 UFDUYIIXPYURJQ-MRXNPFEDSA-N 390.281 2.908 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCCC[C@@H]2C)cc1 20016798 QCTFMDZMHKQBFU-KRWDZBQOSA-N 395.569 2.711 0 40 GFAB C[C@@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1NS(C)(=O)=O 40151618 VYLXPYCRAYMLHD-CYBMUJFWSA-N 379.457 2.800 0 40 GFAB COCCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nc(C)c1C 50247950 RFXCOLUYMRPVDK-KRWDZBQOSA-N 376.526 2.974 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 40478627 XVWFHZOATNCXML-UHFFFAOYSA-N 387.386 2.736 0 40 GFAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 40597243 OUKCDOMPBHCZTN-SNVBAGLBSA-N 381.723 2.723 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 32097905 NZAZRNIWBABEIP-UHFFFAOYSA-N 388.449 2.908 0 40 GFAB CSCC[C@H](C(=O)NCc1ccc(C)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101404602 YWOSFPCQZXHUHS-FGTMMUONSA-N 388.533 2.908 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1c(F)cccc1F 21282287 RHIMZHDLPGAQDA-ZDUSSCGKSA-N 390.386 2.882 0 40 GFAB Cc1sc2ncnc(N3CCC(C(=O)NCCn4ccnc4)CC3)c2c1C 32841411 DXPNDDMMXWBUJK-UHFFFAOYSA-N 384.509 2.537 0 40 GFAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)o2)c1 32908304 OLSOJUVUUAMWRT-QGZVFWFLSA-N 397.456 2.629 0 40 GFAB O=C1/C(=C\NCCO)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 102690497 QPHHBVJRUWIMLD-KAMYIIQDSA-N 376.334 2.815 0 40 GFAB Cc1cnc(NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)s1 22576285 LGOISZXFQQYBDP-QMMMGPOBSA-N 394.250 2.837 0 40 GFAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23348415 OMCPMSVWUGAWDW-UHFFFAOYSA-N 399.476 2.625 0 40 GFAB COc1cccc(-n2c(COc3ccccc3C)nnc2SCC(N)=O)c1 1329431 AFUJOBQHMZVLLV-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB CC(=O)c1ccc(N2CCN(CN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)CC2)cc1 25286203 RMRANQJEHAMPQF-XXBNENTESA-N 397.519 2.780 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cn2ccccc2n1 25650182 QETDNKAHIBBXJD-LJQANCHMSA-N 379.464 2.839 0 40 GFAB COc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 35268842 YUOYPWLEPNSAFW-UHFFFAOYSA-N 399.466 2.550 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)cc1 4998242 BLGGWEZTVCHVPB-LBPRGKRZSA-N 389.433 2.793 0 40 GFAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(C)c2OC)C1=O 6879635 OIPLWJLZXSOHKO-ZROIWOOFSA-N 378.450 2.575 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 7755881 JJXVAZWWFCISRE-UHFFFAOYSA-N 386.395 2.886 0 40 GFAB C[C@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)ccc2O1 10298823 KZYPBBFWOVYUHA-RCEBRVLHSA-N 393.355 2.585 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4c(F)cccc4Cl)[C@H]3C2=O)cc1 101167086 YCDYCTSTZLKMNI-JKSUJKDBSA-N 388.786 2.981 0 40 GFAB O=C(OCC(=O)N1CCNC1=O)c1ccc(-c2nc3ccccc3s2)s1 8137922 RVQRFQJJGQYUBN-UHFFFAOYSA-N 387.442 2.733 0 40 GFAB COc1ccc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1OC 12608013 HALDXOTUXQUYJX-UHFFFAOYSA-N 381.432 2.579 0 40 GFAB O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccncc1 58191440 XGMPVYPRKUTWDK-QGZVFWFLSA-N 379.382 2.904 0 40 GFAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1OC 106756575 KFVQHIOPRIZWHV-PTNGSMBKSA-N 390.461 2.753 0 40 GFAB COc1cc2c(cc1OC)-c1cc(NCCN3CCCCCC3)nc(=O)n1CC2 2228497 PCWQLICQFWSCNM-UHFFFAOYSA-N 398.507 2.772 0 40 GFAB biogenic Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O 57489653 VFEOMDGBAWQIQH-UHFFFAOYSA-N 383.473 2.581 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 102590049 XWOIEBCMEHRJBZ-FZTCLAKQSA-N 391.254 2.985 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 2637402 UAVFETWDPPGYDB-LLVKDONJSA-N 395.868 2.604 0 40 GFAB COc1cc(OC)cc(OCC(=O)NCc2ccccc2-n2ccnc2C)c1 22524682 DMVMGIQHMAATRS-UHFFFAOYSA-N 381.432 2.893 0 40 GFAB Cc1cc(N2CCCC2)ccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 103032703 QPLQXHLDIAAWOU-QZTJIDSGSA-N 381.476 2.875 0 40 GFAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1CCCCC1 12782608 GKNJRAFIKNYXKK-UHFFFAOYSA-N 393.431 2.697 0 40 GFAB CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 12733341 WOYXQURWKGWTRU-UHFFFAOYSA-N 375.446 2.823 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12921868 ZSTRPWSPAOVELB-INIZCTEOSA-N 386.473 2.581 0 40 GFAB CC(C)OC(=O)c1ccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 13325890 KRPHSEDAJGNQEK-UHFFFAOYSA-N 393.490 2.708 0 40 GFAB CCOc1cc(CNC(C)(C)CO)ccc1Oc1nnnn1-c1ccccc1 13717708 LIEVJNDXXWYWCW-UHFFFAOYSA-N 383.452 2.714 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1 5163289 HEKJWPHNKGYRDH-JTQLQIEISA-N 385.417 2.768 0 40 GFAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)n12 65196623 PRKJZBTWKSJQAZ-UHFFFAOYSA-N 395.369 2.783 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCn3ccnc3)ccc12 5206727 VPEIODVRTGOERN-HNNXBMFYSA-N 383.448 2.916 0 40 GFAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2cccc3ccccc23)CC1 14094099 OYJOMHKYRYOHKA-QGZVFWFLSA-N 391.471 2.896 0 40 GFAB O=C(Nc1cccc(-n2cnnn2)c1)c1cnc2c(cnn2Cc2ccccc2)c1 14201843 XLALZMYXXHYHBP-UHFFFAOYSA-N 396.414 2.708 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2O1 6624589 MYMAOAJLLJMTCW-UHFFFAOYSA-N 399.399 2.560 0 40 GFAB biogenic O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(N2CCCC2=O)c1 6987671 SYZWFKMOAYGKST-UHFFFAOYSA-N 379.338 2.633 0 40 GFAB Cc1cccc(N(C)C(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c1 67300323 VITBORPTILIXEV-UHFFFAOYSA-N 391.471 2.725 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 7125066 YQQYEMQWJVTSRE-UHFFFAOYSA-N 394.836 2.762 0 40 GFAB Cc1nnc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)s1 7735108 IZUOIWKOKQXMNR-UHFFFAOYSA-N 383.458 2.924 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 16177627 QZGUAUONWYDVMI-ZDUSSCGKSA-N 393.443 2.851 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(SC)ccc2Cl)NC(=O)N[C@H]1C 7985977 QBLREQDNUHOSIJ-VIFPVBQESA-N 398.868 2.737 0 40 GFAB CN(Cc1nc(-c2cccnc2)no1)C1CCN(CCc2ccncc2)CC1 95459787 JJDQAKCITPGKBP-UHFFFAOYSA-N 378.480 2.666 0 40 GFAB O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8367485 WJYRNHKNEHWWKS-UONOGXRCSA-N 376.503 2.951 0 40 GFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)NCc1ccc(F)cc1 8327262 GMUPJITVUOSDQC-CYBMUJFWSA-N 382.486 2.677 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(-n2cncn2)cc1 8405338 PCOUKUVYNLSXAJ-UHFFFAOYSA-N 399.838 2.640 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@@H]1C2 306133258 MGUDTYBXZFRPQL-LSDHHAIUSA-N 379.489 2.896 0 40 GFAB Nc1nc(NC(=O)[C@@H]2CCCO2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 8992480 HCACBGZFABKIGK-LBPRGKRZSA-N 390.856 2.744 0 40 GFAB COc1ccc(CCc2nnc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)s2)cc1 71288147 PONUFCKSIQBZKF-KGLIPLIRSA-N 375.450 2.627 0 40 GFAB O=C(Nc1nncs1)c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)nc1 95975511 FINKISMPWLPDKZ-GJZGRUSLSA-N 385.424 2.637 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306133256 MGUDTYBXZFRPQL-GJZGRUSLSA-N 379.489 2.896 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1cccc(F)c1 22363201 KJYQGPUIBKSJRX-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB COc1ccc2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c1C 11865657 AJTGPBGCDBRZDR-OAHLLOKOSA-N 375.421 2.576 0 40 GFAB biogenic O=C(O)c1nccnc1C(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 72401979 JEHSCBCQZGWNPH-UHFFFAOYSA-N 376.328 2.941 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(Br)s2)cc1OC 72227060 LZJVMQOMDCTPKE-LSDHHAIUSA-N 397.294 2.939 0 40 GFAB COc1ccc(-c2nc(CC(=O)N3CCC[C@@H](C(=O)O)C3)cs2)cc1OC 32089677 OEMQDTARVVVMFG-CYBMUJFWSA-N 390.461 2.693 0 40 GFAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)nc1 30436927 ZTIWCROHJLFINP-UHFFFAOYSA-N 379.416 2.967 0 40 GFAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2cccc(F)c2)n1 36357986 XDBZVUSBRWWXOV-UHFFFAOYSA-N 384.367 2.676 0 40 GFAB Cc1noc(C2(NC(=O)Nc3ccccc3-n3nccc3C)CCOCC2)n1 529059433 ZWYWBMYRFRWAME-UHFFFAOYSA-N 382.424 2.700 0 40 GFAB CCc1ccc(N([C@H](C)C(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 220268125 RLTJPMHVYFUKEA-OAHLLOKOSA-N 390.505 2.729 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 223831224 RVPBXGYJTYBCDT-AWEZNQCLSA-N 376.403 2.897 0 40 GFAB COCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224129387 RDJGBUVTPOGJMS-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB CC(C)n1c(C(=O)N2CC[C@@H](N(C)C)C2)nc2c1CCN(Cc1ccccc1)C2 96147138 WSZGDTLVTVEXKN-LJQANCHMSA-N 395.551 2.798 0 40 GFAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(C(=O)O)cc2)C3)cc1 96296285 JNJXJIWRZZQURI-IBGZPJMESA-N 393.443 2.946 0 40 GFAB biogenic,in-vitro CO[C@H](C)C(=O)N(Cc1cccnc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 585079648 FRTHBXYLPUHRGJ-NVXWUHKLSA-N 377.485 2.702 0 40 GFAB O=C(c1cnc2ccccc2c1)N1CCC[C@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075563 BPEQGNLDTATMLY-MBSDFSHPSA-N 395.503 2.578 0 40 GFAB O=C(CN1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1)N1CCCCC1 257248048 JBUHTYMXDKXEMV-SFHVURJKSA-N 399.470 2.745 0 40 GFAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cc(Nc2ccccc2)ncn1 606443312 PZLDWZHKUXASKZ-JXFKEZNVSA-N 392.463 2.831 0 40 GFAB CN1CCC2(CC1)CN(C(=O)Nc1cnn(-c3ccccc3F)c1)[C@@H]1COC[C@@H]12 1615592680 ZAAMPGUFSXRXFD-QFBILLFUSA-N 399.470 2.586 0 40 GFAB CO[C@@H](C(=O)N1CCOc2c(Cl)cc(Br)cc21)[C@H]1CCOC1 622873432 OBMCVWDMIBEMRZ-TVQRCGJNSA-N 390.661 2.879 0 40 GFAB O=S(=O)(c1cccs1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678792 ACLQASCYLGBAKU-UHFFFAOYSA-N 375.475 2.923 0 40 GFAB CCOC(=O)c1c(NC(=O)Cc2c(C)noc2C)sc(C(=O)N(C)C)c1C 1142198125 OBEFEYANLJNSAT-UHFFFAOYSA-N 393.465 2.721 0 40 GFAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc(Oc3cccc(F)c3)cn1)CC2 654929169 WWFKFEXGKKYVNA-AWEZNQCLSA-N 381.411 2.912 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)NC[C@@H](C)N4CCN(C)CC4)ccc32)c1 668696785 UMTBEJVBDVHMBX-GOSISDBHSA-N 391.519 2.700 0 40 GFAB COc1cccc2c1OC[C@@H](NC(=O)Nc1ccn(-c3ncccc3F)n1)C2 677638950 CRBCYFDDQNASHW-ZDUSSCGKSA-N 383.383 2.540 0 40 GFAB Cc1cn2nc(N[C@@H]3CCN(c4cc(-c5cccnc5)nc(C)n4)C3)ccc2n1 681918466 GUDJLUDNNNSAFA-QGZVFWFLSA-N 386.463 2.889 0 40 GFAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292347 KWYROWXARLQQSF-LLYBFZRZSA-N 386.525 2.727 0 40 GFAB CC(C)c1nccn1CC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 62130067 YOMMPEJCJCBWTB-UHFFFAOYSA-N 382.464 2.853 0 40 GFAB CO[C@@H](C)c1nsc(NCC2(O)CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)n1 1615611994 STYJZVMGGUVWKD-KSSFIOAISA-N 394.541 2.757 0 40 GFAB COCCCn1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21 5270225 YJAASYAPSGPUJI-UHFFFAOYSA-N 390.443 2.616 0 40 GFAB COc1ncc(-c2nc(N3CCC[C@@H](O)C3)ncc2-c2ccsc2)c(OC)n1 12327566 UOMTVSGOBCGDFZ-CYBMUJFWSA-N 399.476 2.640 0 40 GFAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnc(-c2ccccc2)o1 14108881 FICPRPWVXPISCA-QGZVFWFLSA-N 387.399 2.881 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 17946108 WFXAJLPERYSJRD-OAHLLOKOSA-N 398.381 2.612 0 40 GFAB C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccnn1Cc1ccc2c(c1)OCO2 19457404 QZYLSYSBMWXPGT-LBPRGKRZSA-N 387.827 2.785 0 40 GFAB CN(C[C@@H]1OCCc2ccccc21)C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 19586001 LBNXCQXSJNMZEE-JXFKEZNVSA-N 382.435 2.951 0 40 GFAB COCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(OC)cc1 19694476 ARQJAHPNPDRHCO-SFHVURJKSA-N 384.480 2.918 0 40 GFAB Cn1cc(CCNC(=O)c2nc3ccccc3n(C)c2=O)c2cc(F)ccc21 19714959 GIWRDUOFBHSKPN-UHFFFAOYSA-N 378.407 2.537 0 40 GFAB Cn1nccc1C(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OCCC1 643558104 JCHRWGYDRZTVOW-UHFFFAOYSA-N 390.871 2.508 0 40 GFAB Cc1nn(CC(=O)N2CCC(c3cc4ncccc4c(O)n3)CC2)c(C)c1C 12232324 YCNSSJTWGJYXMJ-UHFFFAOYSA-N 379.464 2.863 0 40 GFAB CN1CCN(c2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4)n3)ccn2)CC1 655314440 ZZEWLQMUWIJUMW-UHFFFAOYSA-N 396.882 2.925 0 40 GFAB COc1ccc(CCNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1OC 16227281 WXVIFWLRJSRBEE-OAHLLOKOSA-N 398.459 2.567 0 40 GFAB FC(F)(F)c1cccc(N2CCN(C3CCN(C[C@@H]4CCCO4)CC3)CC2)n1 1888856768 LJRCBIOENBYRDT-KRWDZBQOSA-N 398.473 2.866 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)s1 1888901147 BPJCCTLHGKPGRH-CYBMUJFWSA-N 398.492 2.616 0 40 GFAB CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1 14066406 UZODLROYYIRJLV-KRWDZBQOSA-N 381.480 2.869 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)COc2ccc(F)cc2Cl)cc1 21760471 KGYBJZAIBXMMBV-UHFFFAOYSA-N 380.803 2.775 0 40 GFAB CCc1n[nH]c(=Nc2cc(C)nc([C@H]3CCCCN3Cc3cc[nH]n3)n2)s1 2037846419 QXYKFBWWLUKEKR-CQSZACIVSA-N 384.513 2.815 0 40 GFAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912084 GCVWFCXFCJFOCU-NRFANRHFSA-N 385.439 2.929 0 40 GFAB Cn1nc2c(c1CN1CCN(c3ncnc(-c4ccccc4)c3F)CC1)CCC2 1775971947 ZNVWFUABLBFJJM-UHFFFAOYSA-N 392.482 2.827 0 40 GFAB CN1CCOc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2C1=O 38710759 JOSMLZREYOHJQW-UHFFFAOYSA-N 383.429 2.500 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)cc(=O)n1C 225697949 NCEDVUIENMJHGK-IBGZPJMESA-N 377.444 2.778 0 40 GFAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1 575414371 BNSCPENZNGZHTC-MRXNPFEDSA-N 387.443 2.528 0 40 GFAB COc1ccc([C@H](NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)C2CC2)cc1 40062284 NERRTQRWYOQTJQ-HXUWFJFHSA-N 393.443 2.628 0 40 GFAB CC(C)c1c(C(=O)OCC(=O)NCCc2ccccc2)cnn1-c1ccccn1 40072809 JXYWWRSWFOSUDW-UHFFFAOYSA-N 392.459 2.906 0 40 GFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1nonc1NC(=O)C12CC3CC(CC(C3)C1)C2 100209150 QQXLRZUIQVMITI-FKXVCZRKSA-N 398.463 2.904 0 40 GFAB COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 20727626 AAEOMNNLMLXLLL-HNNXBMFYSA-N 377.404 2.784 0 40 GFAB O=C(NCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccsc1 32731475 OIJINTNRYLBKLY-UHFFFAOYSA-N 397.953 2.927 0 40 GFAB CCc1nnc(COC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)o1 32865419 HRIQJMBGMIDOIY-ZDUSSCGKSA-N 393.465 2.552 0 40 GFAB Cc1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 628997 IOCWKEQWYWXZBP-FCNRDGCESA-N 377.425 2.520 0 40 GFAB O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)N1CCOCC1 23079878 TXHHQBZCASOGCY-UHFFFAOYSA-N 386.882 2.675 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1 23408427 CKIJTIGZZMGGOD-UHFFFAOYSA-N 393.553 2.977 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)CCOc1ccc(Cl)cc1 5937009 QNLKXPJKQJLFDB-HXUWFJFHSA-N 388.895 2.967 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1)c1ccccc1 802395 OLAQKCJJMNVLHQ-MRXNPFEDSA-N 388.489 2.727 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)C2=O 4513498 UCNOTVJAKTVLCJ-UHFFFAOYSA-N 383.370 2.933 0 40 GFAB O=C1N(c2ccccc2)N=C2c3ccncc3C3=NN(c4ccccc4)C(=O)[C@@]123 6575396 KLNSLIOAJTXPNY-QFIPXVFZSA-N 379.379 2.583 0 40 GFAB Cc1sc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCC1 6679633 VGIRRUPMPVCMKD-UHFFFAOYSA-N 394.474 2.792 0 40 GFAB CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)O)C1 51943481 DYRQRALIILPPRO-FOIQADDNSA-N 390.436 2.577 0 40 GFAB CC(C)N(C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 8667721 OIQWJIKIVRSIFP-UHFFFAOYSA-N 394.427 2.658 0 40 GFAB Cc1cccc(Nc2nnc(SCc3cc(=O)n(C)c(=O)n3C)s2)c1C 11228953 NYZQMBQDOCRJFD-UHFFFAOYSA-N 389.506 2.588 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2c2cccs2)cc1 32769180 PMYHHOBPXDWADV-KRWDZBQOSA-N 387.505 2.802 0 40 GFAB COc1ccccc1NC(=O)C(=O)N1N=C(CC(C)C)C[C@@]1(O)C(F)(F)F 20059985 HYCRMNNPAJWJGN-MRXNPFEDSA-N 387.358 2.519 0 40 GFAB COc1cc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2cc1OC 20746062 HBGMZJPHGMTYHC-UHFFFAOYSA-N 391.786 2.845 0 40 GFAB O=C(c1ncoc1-c1ccc(F)cc1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100751972 DDWAKEBVKGDCQQ-ZFWWWQNUSA-N 379.391 2.902 0 40 GFAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccc2c(c1)OCO2 12165747 QNJHOMUBTFTCAD-UHFFFAOYSA-N 378.384 2.945 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 57731100 CIHMSIAVMKQSTN-LIRRHRJNSA-N 387.480 2.741 0 40 GFAB CCOc1ccc(-c2noc(CCC(=O)Nc3nc(C(F)(F)F)n[nH]3)n2)cc1 26251400 BAVAUPPPPWQXLK-UHFFFAOYSA-N 396.329 2.844 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473022 IWYPBJKUSXFXKO-UHFFFAOYSA-N 399.878 2.781 0 40 GFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nc3ccccc3[nH]1)C2=O 12519886 ABCIUKXUTFCGPL-YUNKPMOVSA-N 383.452 2.638 0 40 GFAB CCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)O 2123443 WUDYMSJPWFSKPP-ZDUSSCGKSA-N 381.812 2.675 0 40 GFAB biogenic CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)cc1 2220439 IFRRREBNQKMHHJ-UHFFFAOYSA-N 396.476 2.657 0 40 GFAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)/C=C/c1cccs1 3263877 ZZBRIYKQVCPVOM-AATRIKPKSA-N 381.431 2.722 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)CSc3ccccc32)c1 7282077 UBPMNNSEAMJIBI-UHFFFAOYSA-N 397.500 2.839 0 40 GFAB CSc1ncccc1C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C 12785013 LJBDACQVAGZMCF-UHFFFAOYSA-N 379.507 2.923 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1)Nc1nc(CN2CCCCC2)cs1 12798251 KDWWEKSTXJKRGJ-UHFFFAOYSA-N 376.457 2.637 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c(Cl)c1 12754979 BJKZDBPYFVXLAU-UHFFFAOYSA-N 385.873 2.821 0 40 GFAB Cc1sc2nc(S[C@H](C)C(=O)NC(N)=O)n(C3CCCC3)c(=O)c2c1C 12763783 KTHCBRNNTSHMME-SNVBAGLBSA-N 394.522 2.865 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cccc(Cl)c3)C2=O)cc1 3460992 RLHFDIZVFGVQSQ-FQEVSTJZSA-N 385.851 2.732 0 40 GFAB CCCc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)cc1 12977949 DJQQRNYAAGYCFK-KRWDZBQOSA-N 398.532 2.797 0 40 GFAB CCOc1ccc(CN(C(=O)/C=C/c2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5180374 JDESPRMDGNUNPO-FVNWOWOISA-N 389.473 2.907 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1 4694250 OIMJAUCPBZSVMS-RHSMWYFYSA-N 378.469 2.754 0 40 GFAB Cc1cc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 6988749 JSQZQUMWWSELBH-OAHLLOKOSA-N 385.913 2.986 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)NCCNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 8550312 YBPKSDNJHMMWQW-ROUUACIJSA-N 384.476 2.771 0 40 GFAB CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409388139 CEDQFZZDUHUQRD-NSHDSACASA-N 379.309 2.919 0 40 GFAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(Cl)c1F 18228082 WRMMUVYVGCPIHP-UHFFFAOYSA-N 385.848 2.854 0 40 GFAB COc1ccc(F)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O 92457407 WLYZAAZLEYVPQK-UHFFFAOYSA-N 382.395 2.859 0 40 GFAB CCn1c(SC[C@@H]2CN=C(N3CCOCC3)S2)nnc1-c1cccs1 83836956 BJLDDZDCJGHXIG-LBPRGKRZSA-N 395.579 2.922 0 40 GFAB CC(=O)N[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccccc1 9384795 CGDRYAJGVJVNBF-MLGOLLRUSA-N 389.839 2.873 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1-c1ccccc1)c1ccc(F)cc1F 9389109 CDWFKERATFEQJS-NSHDSACASA-N 375.404 2.910 0 40 GFAB CC(C)Cn1c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21 96223436 BNVARLBIEMCDCO-MRXNPFEDSA-N 394.475 2.950 0 40 GFAB CCOC(=O)N1CCc2nn(Cc3cccc(C(F)(F)F)c3)c(=O)cc2C1 97164963 VHWHLTKVRIUNKW-UHFFFAOYSA-N 381.354 2.825 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 84811628 QZXVUZMCECKFSE-PXAZEXFGSA-N 376.434 2.615 0 40 GFAB C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 79103900 DPQVOIJSCRJBTK-PBHICJAKSA-N 377.462 2.638 0 40 GFAB CC1(C)OC[C@@H]([C@@H]2OC(=O)C(O)=C2OCc2ccc(Br)cc2)O1 20444478 OAFBJCNKHYIJRQ-AAEUAGOBSA-N 385.210 2.812 0 40 GFAB C[C@H](CC(=O)c1ccccc1F)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 95962753 WOQYIBFNBCANDJ-CYBMUJFWSA-N 398.390 2.563 0 40 GFAB CCN(Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C 60350581 CLYFVBGIBNCGAN-LJQANCHMSA-N 378.538 2.709 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(F)c1 20801024 GTSWXTBWDXGOKJ-RTBURBONSA-N 395.434 2.590 0 40 GFAB CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 113937295 OZLUFMCVVRMNAT-UHFFFAOYSA-N 380.441 2.556 0 40 GFAB Cn1cc(CN2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cn1 306136916 QGTZGNQGPWJHQD-UHFFFAOYSA-N 391.454 2.591 0 40 GFAB CCCNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318584 CJVYDXFWKQAYSG-UHFFFAOYSA-N 389.415 2.640 0 40 GFAB Cc1ncsc1-c1nc(CNc2cccc(C(=O)N3CCC(O)CC3)c2)no1 531605127 ARHHFVMWVVJSNU-UHFFFAOYSA-N 399.476 2.711 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)c(C)o1 77100578 IRBXRIRAVDTQFW-MRXNPFEDSA-N 380.448 2.801 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1 78901447 OCRBNQVAZBDCBU-INIZCTEOSA-N 394.537 2.935 0 40 GFAB COc1ccccc1-c1cccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72349286 MLDWGMRHHDVNBX-OAHLLOKOSA-N 375.494 2.743 0 40 GFAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCc3cccnc3)cs2)cc1 35596764 GNCPHPHWYMLQIL-UHFFFAOYSA-N 388.474 2.615 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 72346101 FVWLUZIAFAOQJH-KRWDZBQOSA-N 393.491 2.721 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccccc2F)CC1 32752739 UYYVCFPVTYNSFO-SOFGYWHQSA-N 382.391 2.552 0 40 GFAB CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H]1CO 72321179 YDPPRQAANBFNSQ-UYAOXDASSA-N 383.448 3.000 0 40 GFAB biogenic,in-vitro O=C(Cn1cc(COc2ccccc2F)nn1)NCCCc1ccccc1F 227168169 UAFKFSRROGUPOT-UHFFFAOYSA-N 386.402 2.884 0 40 GFAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223304055 OCEDCSBTYYFFPK-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 222975481 YHEHYFKFNLADAZ-UHFFFAOYSA-N 382.507 2.629 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCc1nc(-c2ccccc2C)no1 223622857 YJGMJKZRFMUQIK-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1 224155321 SZMJXFUBMPDXHG-UHFFFAOYSA-N 399.447 2.976 0 40 GFAB COc1ccccc1/C=C/C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225781388 VJRZQTZUMHDTTQ-RMKNXTFCSA-N 395.846 2.955 0 40 GFAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)N=C1C 96261516 WNEXXHOWDJOYPP-IMFGXOCKSA-N 375.900 2.828 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)s3)C[C@H]1CN(CCN(C)C)C2 96055938 YZFSTEANZWLOHX-RXVVDRJESA-N 393.597 2.695 0 40 GFAB COC(=O)C[C@@H](c1cccnc1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96231169 XCYGPRMKZFMCJN-INIZCTEOSA-N 379.416 2.731 0 40 GFAB O=C(c1ncn2c(C3CCN(C(=O)C4CCCC4)CC3)ccnc12)N1CCCC1 96155720 UNPGSQYEXWXTSY-UHFFFAOYSA-N 395.507 2.862 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242437295 BXDKZJQBEPJDEQ-LMMKCTJWSA-N 393.892 2.849 0 40 GFAB C[C@@H]1Cc2cc([C@H](O)CN3CC[C@H]4CCCC[C@H]4C3)ccc2N1S(C)(=O)=O 253593946 FFGZQGVHUYYKTP-KALAIVBUSA-N 392.565 2.943 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCC[C@H](C)C3)s2)c1 260795933 NDTSXMRKGYABPZ-LBPRGKRZSA-N 380.495 2.519 0 40 GFAB COc1cccc(NC(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)c1OC 96025419 UAXXAFCJIQZFDB-HNNXBMFYSA-N 390.461 2.784 0 40 GFAB NC(=O)[C@@H]1CC[C@H](C(=O)N(Cc2ccc3[nH]ccc3c2)Cc2cccs2)O1 585124236 NCRGWXVAJJAQQO-ZWKOTPCHSA-N 383.473 2.791 0 40 GFAB c1ccc(N2CCN(C3(CN[C@@H]4CCCn5ccnc54)CCOCC3)CC2)cc1 585091233 SCUZKGRSUMTTMG-OAQYLSRUSA-N 395.551 2.679 0 40 GFAB O=C(CCOc1ccc(F)cc1)N1CCc2ncc(-c3cccnc3)n2CC1 585111409 SOVFMHOUHOZPCV-UHFFFAOYSA-N 380.423 2.938 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1F 41815798 TYFLBHBPXVDAPA-AWEZNQCLSA-N 377.441 2.853 0 40 GFAB Cc1ccc(C(=O)NC2CCN(C(=O)C[C@@H]3OC(=O)c4ccccc43)CC2)o1 50472106 CLGHOWYJEHXNIG-SFHVURJKSA-N 382.416 2.611 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1 1775965727 CHPIVZPJUUVMSI-UHFFFAOYSA-N 383.448 2.615 0 40 GFAB COc1cc2c(cc1OC)[C@@H]1[C@H](CO)c3ccc(OC)c(OC)c3CN1CC2 5573176 OTJKLCYKZHTVBL-DYESRHJHSA-N 385.460 2.910 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 11367920 SQLWVSZLWGPYKZ-NHYWBVRUSA-N 396.896 2.945 0 40 GFAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 12117913 GXBSEDRBHRWLNK-UHFFFAOYSA-N 381.480 2.505 0 40 GFAB NC(=O)Cn1cc(CN2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc21 12364428 PNFGHBNMMUOUAJ-UHFFFAOYSA-N 396.535 2.741 0 40 GFAB COCCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 13635197 XDDHXKLSCPCFEN-HSZRJFAPSA-N 389.455 2.809 0 40 GFAB CCOC(=O)N1CCN(c2nc(-c3cccc4ccccc34)cc(=O)[nH]2)CC1 14162227 DXIVXWOQMBSIQC-UHFFFAOYSA-N 378.432 2.869 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C)c1 16291342 VVKUMPNMJJRVGQ-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CCC[C@@H]1O[P@](=O)(N(CCOC(C)=O)CCOC(C)=O)OC[C@@H]1CC 17284582 OBBOKOIRFWDVHH-NWLBTCKQSA-N 379.390 2.764 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1ncc[nH]1)Cc1ccccc1O2 19016324 STCCKARZGGFNOU-UHFFFAOYSA-N 382.464 2.604 0 40 GFAB COc1ccc(C)cc1CC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19133087 JBKVPBPEKZJXKW-UHFFFAOYSA-N 394.519 2.730 0 40 GFAB CNc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)nc2c1CN(C(C)=O)CC2 19711584 VOWSHEXSFYNKTQ-IBGZPJMESA-N 393.491 2.790 0 40 GFAB O=C(Cn1nnc(-c2ccc(CN3CCCCC3)cc2)n1)NCc1ccccc1 35290065 WFXYLOVVTVLNBJ-UHFFFAOYSA-N 390.491 2.642 0 40 GFAB COc1cc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)ccc1O 12187325 HMTWJEIRCVTGAK-UHFFFAOYSA-N 381.436 2.929 0 40 GFAB COc1cccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c1 19565111 NVXDYUHSUHEDMU-MRXNPFEDSA-N 377.448 2.615 0 40 GFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 6384613 BLHODRPNQRWOFA-CQSZACIVSA-N 375.446 2.674 0 40 GFAB O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888890302 QSCIWWZABPPJFO-LBPRGKRZSA-N 395.431 2.722 0 40 GFAB CN1c2ccc(NC(=O)CSCc3ccccc3)cc2N(C)S1(=O)=O 244986065 JDXHYBQMXAEKBC-UHFFFAOYSA-N 377.491 2.689 0 40 GFAB O=C(CCC(F)(F)F)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037988491 NSBGCUKDGGTUSC-KRWDZBQOSA-N 388.361 2.893 0 40 GFAB O=C(c1cccnc1)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840774 QHMSADITPOEEMJ-OAQYLSRUSA-N 383.423 2.649 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 4393489 XLPZJACLOSZOET-HZPDHXFCSA-N 392.864 2.961 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)c1cccs1 9134306 MGJDYBKYKGSAPS-MRXNPFEDSA-N 397.378 2.531 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnnn2[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100172339 ZXNNAMQLLOBIED-UXIGCNINSA-N 387.465 2.552 0 40 GFAB O=C(Cn1cncn1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 2086881962 LLTIVBBFZAHUQN-UHFFFAOYSA-N 399.458 2.690 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)n[nH]1 575611184 BMCHPQYMJLVIRG-CQSZACIVSA-N 397.410 2.698 0 40 GFAB CC(C)c1nc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cn1C 575618790 JBPDWIXVIGNLBB-GOSISDBHSA-N 399.520 2.613 0 40 GFAB Cc1nc(C)n(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)n1 19285763 JVISOTYQCGJSCH-ZVDOUQERSA-N 385.487 2.561 0 40 GFAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 24710618 CJADUURUUNJKBV-UHFFFAOYSA-N 384.807 2.602 0 40 GFAB CC1=NN(c2ccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)cc2)CC1 40145213 DJZQANVKNQCBER-UHFFFAOYSA-N 383.521 2.996 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1OC 2645336 QXRDPRAAHKFWSL-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCC3)CC2)s1 20442509 AOAWFPMPAYJLKQ-UHFFFAOYSA-N 393.557 2.542 0 40 GFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cn2nc(O)c3ccccc3c2=O)cc1C 4278180 SNKUIQRIZVSVQL-CQSZACIVSA-N 380.400 2.534 0 40 GFAB Cc1cccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)c1C 51316843 XDROLNCBYVHNLN-UHFFFAOYSA-N 379.445 2.875 0 40 GFAB C[C@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 4907532 OMFCOUGPUWOOPU-INIZCTEOSA-N 394.479 2.624 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)N[C@@H]2CCc3ccccc32)n1 4968152 DFMBDJILJBSEOV-GOSISDBHSA-N 375.428 2.723 0 40 GFAB CNC(=O)C1CCN(CCC(=O)N[C@H](c2ccccc2)c2cccs2)CC1 28903477 PBJVUVKIWAEADA-HXUWFJFHSA-N 385.533 2.802 0 40 GFAB COc1cc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)cc(OC)c1 21360257 ZJBMCRVEYUSGDJ-UHFFFAOYSA-N 386.452 2.810 0 40 GFAB Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)sc1CC(N)=O 32871334 JGMUURLGMGYFHM-KOLCDFICSA-N 381.498 2.976 0 40 GFAB COc1cccc([C@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)c1 10297628 VTGHVYVCIOOPPG-HNNXBMFYSA-N 379.405 2.601 0 40 GFAB C[C@@H](C(=O)N1CCN(C(=O)Nc2ccccc2)CC1)n1c(=O)oc2ccccc21 32885651 CUZHREDOGSJWEI-HNNXBMFYSA-N 394.431 2.532 0 40 GFAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 32902083 RHJKXWMRPHIBPK-LBPRGKRZSA-N 390.509 2.622 0 40 GFAB CCOc1nc2ccccc2nc1N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 33088299 PVRBPHRZKATILB-INIZCTEOSA-N 384.480 2.540 0 40 GFAB O=C1CCc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)ccc2N1 33067145 WGFMVNZFRZFXQY-LBPRGKRZSA-N 385.370 2.841 0 40 GFAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccccc1F 2629643 MCMKQXOUTXUUHW-UHFFFAOYSA-N 397.435 2.699 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(Cc2cccs2)CC1 22019085 LEDZOWPEQZNSOO-QGZVFWFLSA-N 387.530 2.895 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 22190541 FVRYLUVGDJQGTR-KRWDZBQOSA-N 395.503 2.959 0 40 GFAB O=C(Cc1csc(Cc2ccccc2)n1)NC1CCN(c2ncccn2)CC1 46611330 VOAAIRFKQDQDKW-UHFFFAOYSA-N 393.516 2.852 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)NC1CCN(c2ccc(F)cc2)CC1 53748952 RIFGYIBDZKMFSG-GOSISDBHSA-N 385.439 2.934 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 20014124 RKVARRXCQRWHLV-UHFFFAOYSA-N 384.860 2.806 0 40 GFAB COc1ccc(F)cc1CN1CCN(Cc2csc(NC(C)=O)n2)CC1 22804667 RHHUNZFFJGCBJU-UHFFFAOYSA-N 378.473 2.567 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1 119960259 HLUUGDDSAYUWOA-UHFFFAOYSA-N 376.453 2.735 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(c3ccc(F)cc3)=NC2=N1 940733 WRTLZQLTZQQXIB-MRXNPFEDSA-N 383.814 2.916 0 40 GFAB CCOC(=O)c1cccc(CS(=O)(=O)CC(=O)Nc2ccc(CC)cc2)c1 938848 AUVIDPUXMAPBIV-UHFFFAOYSA-N 389.473 2.979 0 40 GFAB Cc1noc(C)c1Cc1ccc(C(=O)NCCn2cc(Br)cn2)o1 28244913 VPHVNFADTKWIAG-UHFFFAOYSA-N 393.241 2.864 0 40 GFAB O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1cccnc1 12296808 HASJOLKUJVRWHG-UHFFFAOYSA-N 391.475 2.727 0 40 GFAB biogenic CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1nc3ccccc3[nH]1)C2=O 23731090 SLNSZUUIYAKCQA-QQKMHPFRSA-N 397.479 2.631 0 40 GFAB O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cc2c([nH]c1=O)CCC2 61448829 QPANIBMMYGUGRX-UHFFFAOYSA-N 380.444 2.847 0 40 GFAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(C)cc3)c(=O)n2n1 1188290 BSDVAHOOALXMRH-BOPFTXTBSA-N 377.425 2.599 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)cc2)n1 24501558 XTECTYDXMFDKHQ-UHFFFAOYSA-N 395.507 2.853 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4C)CC3)CC2=O)c1 24843169 ZSJJYIXAGUDYLK-SFHVURJKSA-N 393.487 2.705 0 40 GFAB O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)NCC(F)(F)F 24852398 AWZWMWXDXZSYOM-UHFFFAOYSA-N 375.274 2.833 0 40 GFAB CC(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 24988639 FFKMTMRLDKIDTG-AWEZNQCLSA-N 381.325 2.629 0 40 GFAB O=C(CCOc1cccc(Cl)c1)Nc1cccc(CN2C(=O)CNC2=O)c1 24925148 ZKJOYSWXGVDSFF-UHFFFAOYSA-N 387.823 2.799 0 40 GFAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1NS(C)(=O)=O 12536118 CGKFNYQHCVODMU-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20021782 QEOQCFMGVJECOG-UHFFFAOYSA-N 398.431 2.977 0 40 GFAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N(Cc1ccccn1)C1CC1 47733162 KSEJGRKDZVJDAO-UHFFFAOYSA-N 375.432 2.883 0 40 GFAB c1ccc(Cc2noc(CSc3nnc(N4CCOCC4)s3)n2)cc1 58170980 QZTBYPCXKGAVMU-UHFFFAOYSA-N 375.479 2.641 0 40 GFAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C(=O)O)c3ccccc3)ccc12 2124296 KKGJKNOQCPDVMW-BFUOFWGJSA-N 381.384 2.811 0 40 GFAB biogenic O=C(CCc1ccccn1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 58289466 XVXUYQMEMCYCQF-UHFFFAOYSA-N 379.416 2.872 0 40 GFAB O=C(Nc1ncn(Cc2ccccn2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 58332608 HJKMEVSEWPQKRL-GOSISDBHSA-N 376.464 2.572 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1NC(C)=O 27996943 RYJPCEGHWZPIMN-UHFFFAOYSA-N 385.445 2.731 0 40 GFAB O=C(O)c1ccc(N[C@H]2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 2241783 POFBFHZQPHKWJP-AWEZNQCLSA-N 386.385 2.717 0 40 GFAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 3355106 VHECAFPNRWNOBA-LJQANCHMSA-N 379.460 2.587 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 3333108 ZWGLLVNPIXCBGU-UZLBHIALSA-N 382.460 2.862 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)C1 48311107 WYMCGQXZFBZLBA-MBOZVWFJSA-N 383.536 2.792 0 40 GFAB O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)Nc1nccs1 13570655 BHCHIPKKJUWEIW-UHFFFAOYSA-N 387.465 2.810 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)cc1 70859085 ZTOGPBBQUNOPJQ-OAHLLOKOSA-N 382.464 2.896 0 40 GFAB CCOC(=O)c1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1 49961700 UZYWKEGBQTWBDA-UHFFFAOYSA-N 388.401 2.752 0 40 GFAB biogenic NC(=O)CCN(C(=O)COc1ccc(Br)cc1)c1ccc(F)cc1 8942223 OSLDJXXYRAAJMW-UHFFFAOYSA-N 395.228 2.876 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CSc2nc([C@H]3CCCO3)n[nH]2)c(C)c1 8981470 JRHZRBQFVXDESE-CYBMUJFWSA-N 375.454 2.713 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766366 DTKXJETYVLTLRK-UHFFFAOYSA-N 380.853 2.923 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C)CC2)cc1C 6928376 DOZOHKRZIMULSQ-UHFFFAOYSA-N 378.519 2.820 0 40 GFAB O=S(=O)(c1ccccc1)c1nnn2c1nc(N1CCCC1)c1ccccc12 67262611 ULDASDNPGWWOOV-UHFFFAOYSA-N 379.445 2.711 0 40 GFAB COCc1nc([C@H]2COCCN2C(=O)c2cncc(-c3cccc(C)c3)c2)no1 96001033 HBDFBPZJNSKQCL-GOSISDBHSA-N 394.431 2.800 0 40 GFAB COc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Br)ccc32)c1 9481992 LLBYFKHKJVQCNY-KRWDZBQOSA-N 376.206 2.870 0 40 GFAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 9614255 OPKJSBQISOFBTN-INIZCTEOSA-N 393.443 2.977 0 40 GFAB CN(CC(=O)NC(C)(C)C)C(=O)NCc1ccc(COCC(F)(F)F)cc1 9756728 CLGWUIXNPUAQAG-UHFFFAOYSA-N 389.418 2.822 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1C 20111276 JQBSRWADKJHSJA-HNNXBMFYSA-N 378.469 2.913 0 40 GFAB CCOc1ccccc1[C@@](N)(C(=O)NCCN1CCC[C@H](C)C1)C(F)(F)F 97164923 DDXAFYPESUOTGV-KBXCAEBGSA-N 387.446 2.650 0 40 GFAB Cc1ccc([C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)c2cc(C)ccc2F)cc1 97163206 JUMXPBOFBKZQHM-OAHLLOKOSA-N 395.438 2.927 0 40 GFAB COc1ccc(-n2c(Cn3cc(Cl)c(=O)[nH]c3=O)nc3ccccc32)cc1 72307073 KGAYTPZPPAIFAH-UHFFFAOYSA-N 382.807 2.586 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c1 95464656 SNYLHVLMXZTMOI-AWEZNQCLSA-N 389.351 2.870 0 40 GFAB O=C(/C=C/c1cc(Br)ccc1F)N1CCOC[C@H]1c1ncon1 95981385 RUBQLWGCBKYANB-HJFNVNOESA-N 382.189 2.585 0 40 GFAB C[C@@H](C(=O)Nc1cc(NC(=O)[C@H](C)n2cccn2)c(F)cc1F)n1cccn1 95965889 VIXPQYFLEXAFDZ-RYUDHWBXSA-N 388.378 2.757 0 40 GFAB CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 409410373 VWBSTGKOOMOYRK-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 306128291 GWERWQJIWKHBQV-UHFFFAOYSA-N 383.471 2.538 0 40 GFAB COc1ccc(N2CCN(C(=O)Nc3cc(C)n([C@H](C)C4CC4)n3)CC2)nc1 519803612 AOUQSJSNIVPDHM-OAHLLOKOSA-N 384.484 2.920 0 40 GFAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(Br)c1 36597353 PPJGZASDWVDRKE-CQSZACIVSA-N 388.221 2.528 0 40 GFAB Cc1c(OCC(F)(F)F)cc[n+]([O-])c1C[S@](=O)c1nc2ccccc2[nH]1 77301757 OBGHBYDDJGHGNS-AREMUKBSSA-N 385.367 2.754 0 40 GFAB in-vitro COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccccc2)C1=O)C3 30903963 IBQBDSUVCKKKDV-HXUWFJFHSA-N 375.428 2.867 0 40 GFAB biogenic O[C@H](COc1ccc(F)cc1)CSc1nnnn1CCc1cccs1 32865275 CJLFCUJZFQYODU-CYBMUJFWSA-N 380.470 2.648 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN(S(=O)(=O)C(C)C)C2)n1 72384830 MPXNCJXVLULMRQ-HNNXBMFYSA-N 375.498 2.760 0 40 GFAB CCOc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 44849446 KJCFDPTZAOEITB-UHFFFAOYSA-N 376.478 2.801 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 224007994 DXGHWPZRSRCJGA-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 43747455 UHZUEESXOSFTGP-MRXNPFEDSA-N 388.489 2.507 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O 220345069 OUQLXVFPJZPFFD-INIZCTEOSA-N 390.505 2.783 0 40 GFAB Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)cn1 96264182 OXHUOCBCPAJZDN-UHFFFAOYSA-N 397.442 2.941 0 40 GFAB CC(C)CN(C(=O)/C=C\c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 96117707 ZMJKTOQTUTYJQU-FPLPWBNLSA-N 390.509 2.539 0 40 GFAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc3c(c1)OCO3)C2 96269385 OSAZZISBMLASQB-INIZCTEOSA-N 393.443 2.976 0 40 GFAB biogenic,in-vitro C[C@H]1[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]2C[C@H]1C2(C)C 245225251 QNHJMTKJDFGIIU-IXYNUQLISA-N 397.493 2.528 0 40 GFAB Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 582473128 MJZDGMMFFNDLAA-GOSISDBHSA-N 384.455 2.697 0 40 GFAB CCn1nncc1CNC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 528974532 XDHSUQHTFHWWOV-UHFFFAOYSA-N 382.352 2.551 0 40 GFAB O=C1C[C@H](CNc2ccc(I)cc2C(F)(F)F)CN1 585138496 WOEHILQQBVVHGS-SSDOTTSWSA-N 384.139 2.858 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)N(C)CCc2ccccn2)[C@@H]1c1cccc(C)c1 257323065 WIPHKCBVHDYQBA-IRLDBZIGSA-N 395.503 2.627 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)C1 250711442 YIEFTPDPRPLHBN-APWZRJJASA-N 380.444 2.747 0 40 GFAB O=C1CN(c2ccc(C(F)(F)F)cc2NC(=O)N2CC(CC3CC3)C2)CCN1 621476821 HSYBRDJBXGUVAK-UHFFFAOYSA-N 396.413 2.905 0 40 GFAB CSc1ccccc1C(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390832315 YOVZFBPRWYHULL-UHFFFAOYSA-N 396.472 2.696 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc2c(c1)OC(F)(F)O2 43851223 UAELALXNDWUVEW-UHFFFAOYSA-N 392.362 2.561 0 40 GFAB CNC(=O)COc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1OC 53513011 UGTDTIZGQDWGGA-GOSISDBHSA-N 397.475 2.973 0 40 GFAB CCn1nnc2cc(C(=O)NCCNc3ncccc3C(F)(F)F)ccc21 56991970 ZZPLFKCZUBUEKS-UHFFFAOYSA-N 378.358 2.707 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCc4sccc4C3)CC2)cc1 57668208 XBWHNTSRNNKFQV-UHFFFAOYSA-N 383.517 2.658 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NCC1(c2ccsc2)CCOCC1 952987037 NSEDMJNZGNWDNI-UHFFFAOYSA-N 376.522 2.919 0 40 GFAB COc1ccc([C@H]2c3cc4c(c(OC)c3C[C@H]3OCC(=O)[C@H]23)OCO4)cc1OC 5081466 XPWTYDWZZDAXDF-HOJAQTOUSA-N 398.411 2.713 0 40 GFAB Cc1cc(-c2cn[nH]c2C2CCN(CC(=O)NCc3cccs3)CC2)on1 12118758 QHAXAHKKGXJCGF-UHFFFAOYSA-N 385.493 2.930 0 40 GFAB COc1ccccc1-c1noc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)n1 13495127 XVDBGMCSNSJGBD-LLVKDONJSA-N 377.397 2.924 0 40 GFAB CN1C(=O)[C@@]2(N=C(N)NC(N(c3ccccc3)c3ccccc3)=N2)c2ccccc21 17081009 PZDWJYKZVVGZAX-HSZRJFAPSA-N 396.454 2.928 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)c2cccnc21 19021700 JFRZJAJPKJFHFN-SFHVURJKSA-N 397.523 2.854 0 40 GFAB C[C@]12CN(Cc3c[nH]nc3-c3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O 19576461 LCILDVWNWLAFBU-XXBNENTESA-N 386.455 2.894 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)nn2C)cc1 19716168 IMEPBFISGKRIGY-ZDUSSCGKSA-N 381.480 2.807 0 40 GFAB CC(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 670280660 HYNWAQVNQGUWFW-CQSZACIVSA-N 391.903 2.743 0 40 GFAB Cc1cc(N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)nc(C2CC2)n1 1889119651 UJABLKYLJWTNFQ-UHFFFAOYSA-N 379.512 2.688 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840645 PKTYCDLPNHORPS-FQEVSTJZSA-N 385.489 2.880 0 40 GFAB O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)Nc1nccs1 9574002 JVHABDNTMAHKBA-UHFFFAOYSA-N 376.442 2.756 0 40 GFAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1 9626684 QXMSIPGWKXNVIF-UHFFFAOYSA-N 383.429 2.565 0 40 GFAB COc1ccc(CC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 9626547 QADNRLZMPOJAGY-UHFFFAOYSA-N 397.456 2.737 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)c2ccccc2n1 10330846 FKQJDXLRLBAQJX-FQEVSTJZSA-N 376.460 2.901 0 40 GFAB COc1ccccc1OCC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 16838576 DFVUQOAPRHTBRS-UHFFFAOYSA-N 382.372 2.774 0 40 GFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccccc1Cl 26455824 VYHIRKRDWKCFPA-MRXNPFEDSA-N 395.912 2.560 0 40 GFAB COCCCn1c(C(=O)N[C@@H]2CCCC[C@H]2C)cc2c(=O)n3ccccc3nc21 33550941 UIICERZORLVKOM-NVXWUHKLSA-N 396.491 2.994 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCCN1c1ccccc1 207990909 LVWZFPDIYCBZEO-GOSISDBHSA-N 376.460 2.572 0 40 GFAB Cc1nc(NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c2cnn(C)c2n1 575617286 SCDLHFYABLHDSM-UHFFFAOYSA-N 392.389 2.561 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCC[C@H](CCO)c2cccs2)c1 575607732 OIDPNDXONWMVNK-CYBMUJFWSA-N 385.507 2.600 0 40 GFAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(-n2cnnn2)cc1 21448387 IEXXKWRPHVYPFH-UHFFFAOYSA-N 392.400 2.767 0 40 GFAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 40024460 QUPCBNJWAJKTNA-UHFFFAOYSA-N 382.482 2.708 0 40 GFAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 30314642 KYMZYUGDARGRKW-NSHDSACASA-N 398.850 2.906 0 40 GFAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 1572946 AJQYZRHQCXCROF-OALUTQOASA-N 398.459 2.750 0 40 GFAB in-vitro COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC)cc1OC 2703003 QRCVBVJQOVSKST-ZUZCIYMTSA-N 376.434 2.525 0 40 GFAB CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(OC)cc1)C(F)(F)F 3118488 FGGOYIRCZNENIG-MRXNPFEDSA-N 386.326 2.952 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2cccc(F)c2)sc2c1CCCC2 3327658 WLEHQGLXMGCFFS-UHFFFAOYSA-N 376.409 2.660 0 40 GFAB Cc1cccc(C(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1 4231139 XVNBVUATYUUKJX-UHFFFAOYSA-N 394.427 2.590 0 40 GFAB CCOc1cc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 4504532 XSIGXXDDSWNLGO-OAHLLOKOSA-N 399.509 2.532 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)c1C 4984811 NGMRLDSRTZRCSO-LJQANCHMSA-N 377.444 2.893 0 40 GFAB COc1cccc(N2C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)c1 5221985 MJHZLAJTPUSJQF-MRXNPFEDSA-N 388.489 2.704 0 40 GFAB C[C@H]1CN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C[C@H](C)O1 5304864 YSBWQRIQXJWDDE-GJZGRUSLSA-N 395.434 2.833 0 40 GFAB COc1cccc([C@@H]2NC(=S)N3[C@H](c4cccc(OC)c4)NC(=S)N23)c1 6424647 APZIPCVXHHIXIW-HZPDHXFCSA-N 386.502 2.696 0 40 GFAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1 6563384 XZFNTEGVNYCVRR-SNVBAGLBSA-N 390.531 2.569 0 40 GFAB COc1cc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2cc1OC 7058295 DDOHJYNUSBUMQP-UHFFFAOYSA-N 379.416 2.541 0 40 GFAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)N1CCCCCC1 7095201 DZFWBMKLNXSOAT-CQSZACIVSA-N 397.504 2.992 0 40 GFAB O=c1[nH]nc(SCc2cc(Cl)cc3c2OCOC3)n1C[C@H]1CCCO1 7350234 XZQMWGRZEHIHJZ-CYBMUJFWSA-N 383.857 2.563 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccc4c(c3)OCO4)ccc12 7743892 FYACNJPSXRHTBE-UHFFFAOYSA-N 396.351 2.635 0 40 GFAB COc1cc(Br)c(CC(=O)Nc2ccc(C(N)=O)cc2)cc1OC 8074394 BGHVTZPNULJVBC-UHFFFAOYSA-N 393.237 2.746 0 40 GFAB O=C(CCn1ccc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 8139733 GBQWAICBASAVAJ-UHFFFAOYSA-N 397.500 2.565 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)N1CC[C@@H]2CCCC[C@@H]2C1 8339881 LKELSVOUYLUICZ-UONOGXRCSA-N 377.539 2.914 0 40 GFAB CSCC[C@@H](C(=O)Nc1ccccc1C(=O)O)N1C(=O)c2ccccc2C1=O 8429424 XWEIDLKYOFWVHH-INIZCTEOSA-N 398.440 2.741 0 40 GFAB Cc1sc2nc(COC(=O)Cn3c(=O)oc4ccccc43)nc(N)c2c1C 8705979 AZTSCZZCZVDCIO-UHFFFAOYSA-N 384.417 2.542 0 40 GFAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2ncccn2)c2ccccc2N1 8762544 ZMXJZBKADNDWAY-LBPRGKRZSA-N 382.367 2.875 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1cc2ccccc2o1 9546831 TUUDXKYRVVXTSI-TZMCWYRMSA-N 387.465 2.568 0 40 GFAB CC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 10276756 WUUNYRARYYQINV-HNNXBMFYSA-N 375.494 2.654 0 40 GFAB CCc1cc2c(=O)n(CCCOC)c(S[C@H](C)C(=O)N(C)C)nc2s1 11774434 CWCYSERTWUYJEC-LLVKDONJSA-N 383.539 2.626 0 40 GFAB COc1ccc(C2(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 12362018 RAFCGSFRSFIOSP-UHFFFAOYSA-N 386.473 2.790 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3cc(NC(C)=O)ccc3OC)CC2=O)c1 12391044 AQMCBSMTOLOQAY-CQSZACIVSA-N 397.431 2.654 0 40 GFAB C/C=C/Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 12532017 ZXTUFZXGGINDRX-ONEGZZNKSA-N 376.869 2.945 0 40 GFAB C[C@H](OC(=O)c1ccc(CNC(N)=O)cc1)C(=O)Nc1ccc(F)c(Cl)c1 12810322 QMOXJNXEXMCBIU-JTQLQIEISA-N 393.802 2.831 0 40 GFAB COCCNC(=O)CN(C)c1nc(C)nc2scc(-c3cccs3)c12 12916022 FXOWXMWVBQQVQJ-UHFFFAOYSA-N 376.507 2.927 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2cc(F)cc(F)c2)cc1 12987379 KXFTYSHVDGWIKA-LJQANCHMSA-N 396.459 2.625 0 40 GFAB O=C(NCCC(=O)N1CCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 14170817 HNZXDOQZPDRKMM-FQEVSTJZSA-N 392.455 2.883 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(-n2cnc3ccccc3c2=O)c1 14187844 SASGRGYLAXJWBU-LJQANCHMSA-N 393.443 2.703 0 40 GFAB COc1cc(C(C)=O)ccc1OC(=O)CCn1cnc2c(C)cccc2c1=O 16469722 ZKLXEKBMXKAFFK-UHFFFAOYSA-N 380.400 2.912 0 40 GFAB CC(C)N(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 17078747 YSEDKDCRTAGNMC-UHFFFAOYSA-N 385.555 2.523 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)Cc3cccc(C)c3)ncc2C1 19234722 HHCSGEOBAFDIEH-HXUWFJFHSA-N 378.476 2.596 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2 19234788 RPCIVSNWLMXTHU-OAQYLSRUSA-N 392.503 2.986 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(-c4cnc(C)cn4)nc3C2)c(OC)c1 19239057 WYZSDFYAAQHIBE-UHFFFAOYSA-N 393.447 2.523 0 40 GFAB Cc1cnn(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)c1 19239984 OAWGCLWHXGEDKF-OAHLLOKOSA-N 397.504 2.800 0 40 GFAB O=C(Cc1cccnc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19338396 XKZBJAYWACEJDP-UHFFFAOYSA-N 380.473 2.842 0 40 GFAB Cc1c(S(=O)(=O)Nc2ccccc2OCCn2cccn2)cnn1C(F)F 19553127 QCKQXLBMIKRPKK-UHFFFAOYSA-N 397.407 2.663 0 40 GFAB COc1cccc2cc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)c(C)nc12 19582597 CUPIOSQHQZCLTF-UHFFFAOYSA-N 394.475 2.724 0 40 GFAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCn2cnnn2)n1 19692022 KJOCMNSLNDFBRB-HXUWFJFHSA-N 394.454 2.860 0 40 GFAB Cc1noc(CCC(=O)N2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)n1 19693343 ZVTVAKBIIAXBRK-INIZCTEOSA-N 397.410 2.507 0 40 GFAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)CC(C)(C)C)CC2)n1 19697488 JOSUBGMGKRZELM-OAHLLOKOSA-N 387.528 2.606 0 40 GFAB COc1ccccc1[C@]1(CCNCCN2CCOCC2)CCOC(C)(C)C1 20590504 AGSCXWRJQXEQAF-JOCHJYFZSA-N 376.541 2.834 0 40 GFAB CSc1cccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 22230634 GIGUWPMTEVZTKY-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 22304681 PXCPNOHQFSRZSO-VXGBXAGGSA-N 378.498 2.928 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccsc1)N1CCOCC1 22767374 UXKSJMBUKXFHLJ-MRXNPFEDSA-N 384.498 2.547 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 22805245 PPSXBJYCZGUNAT-UHFFFAOYSA-N 379.504 2.995 0 40 GFAB CCCc1noc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)n1 23053914 SMLBRZVOKJSBMW-AWEZNQCLSA-N 386.452 2.502 0 40 GFAB CSc1ncc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)n1-c1ccccc1 23762060 HKEBYLZFTINVOE-QGZVFWFLSA-N 386.521 2.531 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C2=O 27592644 DMIRWVDSPFENLE-IBGZPJMESA-N 397.450 2.539 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)NC[C@@H]1CCCO1 28227339 LVFHUCHJSCEFAT-VIFPVBQESA-N 384.196 2.658 0 40 GFAB Cc1cccc(CN2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)c1 30019576 XTQSYBLIQOYFND-UHFFFAOYSA-N 379.504 2.768 0 40 GFAB COc1ccc(CCN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 30863304 XCWWCGPZBHPSTA-IBGZPJMESA-N 396.487 2.753 0 40 GFAB CCN(CC)C(=O)c1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cc1 31086297 JDKGLPJAQSOCBY-UHFFFAOYSA-N 383.448 2.897 0 40 GFAB Cc1cc(C)c2nc(NC(=O)CS(=O)(=O)Cc3cccnc3)sc2c1 32928375 BHZHFBLKDPPBPP-UHFFFAOYSA-N 375.475 2.862 0 40 GFAB COc1ccc(-c2noc(-c3ccccc3NS(C)(=O)=O)n2)cc1OC 33537397 DTTXPVGWGFVBQF-UHFFFAOYSA-N 375.406 2.792 0 40 GFAB COc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)cc1 36089963 AHJLFPFQYKCMJV-LJQANCHMSA-N 387.549 2.794 0 40 GFAB COc1cccc(CCc2nnc(NC(=O)c3cnn4cccnc34)s2)c1 36752227 PNUAZWYTRMVSGL-UHFFFAOYSA-N 380.433 2.627 0 40 GFAB O=C(c1ccc2[nH]nnc2c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 39995620 KIMPRWCYVUYAJS-UHFFFAOYSA-N 390.369 2.724 0 40 GFAB Cc1ccsc1CN(C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 40069050 VRKVCCMQFIGXNA-UHFFFAOYSA-N 387.505 2.871 0 40 GFAB COc1ccc(-c2nc(C(=O)NC3CCN(C(C)=O)CC3)cs2)cc1OC 48252344 ZWKVNBISSRUUGI-UHFFFAOYSA-N 389.477 2.568 0 40 GFAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCSc1ccccc1 53472284 QXUTWLSSPKFZED-VYDXJSESSA-N 379.551 2.621 0 40 GFAB biogenic Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)C(=O)NCc3ccccc3)c12 58191026 FYUJLIVBGMOZJE-CYBMUJFWSA-N 378.432 2.843 0 40 GFAB O=C(c1ccccc1-n1cnnn1)N1CCCN(Cc2ccc(Cl)cc2)CC1 59855384 RMGUUTANWMBPRA-UHFFFAOYSA-N 396.882 2.664 0 40 GFAB COc1ccc2c(c1)CN(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)CC2 60042337 YBBDKBRJYLACHO-OAHLLOKOSA-N 384.476 2.948 0 40 GFAB CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 61533063 PDKRINFLLZISHF-ZBEGNZNMSA-N 398.290 2.861 0 40 GFAB Cc1cccc2[nH]cc(C(=O)COC(=O)c3cccnc3N3CCOCC3)c12 63946013 APGKJLLPYGFZHG-UHFFFAOYSA-N 379.416 2.748 0 40 GFAB O=C(NC1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1)c1ccc[nH]1 65530582 IHNRGLUYNALMGA-UHFFFAOYSA-N 379.382 2.997 0 40 GFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1cccc(Cl)c1 67205100 UOPJXYLYOIJSPG-INIZCTEOSA-N 395.912 2.560 0 40 GFAB O=C(NCCCNc1ccccc1)Nc1cccc(N2CCCS2(=O)=O)c1 67543879 KBKBODAPBNKLKW-UHFFFAOYSA-N 388.493 2.850 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C(C)C)CC1 69531735 CRHCSPRHVWJTJW-QGZVFWFLSA-N 393.915 2.506 0 40 GFAB CSc1ccccc1NC(=O)[C@@H](C)n1nc(-n2nc(C)cc2C)ccc1=O 70655935 WHGMDMIFYCHCQI-CQSZACIVSA-N 383.477 2.967 0 40 GFAB O=C1N[C@]2(COC3(CCN(C(=O)CCc4ccco4)CC3)C2)Nc2ccccc21 72325280 QPVIGJJYESMGIP-JOCHJYFZSA-N 395.459 2.546 0 40 GFAB CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 72334416 VPFHXWONUOHAQS-NZQKXSOJSA-N 378.472 2.797 0 40 GFAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 72352419 FBYJKCFLFBYNDJ-CYBMUJFWSA-N 380.473 2.989 0 40 GFAB Cc1nc(C)n(Cc2cccc(NC(=O)NCCCN(C)CC(F)(F)F)c2)n1 79023394 JGEPEUBZKAVHSV-UHFFFAOYSA-N 398.433 2.949 0 40 GFAB CCOC(=O)[C@]1(C)CCCN1C(=O)c1cccc(I)c1 89978169 SJLJLRDFNWTHKL-HNNXBMFYSA-N 387.217 2.849 0 40 GFAB COc1ccccc1CCNC(=O)C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1 95477058 QQTUMINQNNUGTQ-KRWDZBQOSA-N 399.882 2.868 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C 95482718 MDXFXIPBPYBACG-CYBMUJFWSA-N 381.885 2.765 0 40 GFAB N[C@H]1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C1 95971821 NFPGFTUQSPLGNJ-NSHDSACASA-N 380.217 2.949 0 40 GFAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)Cc3ccon3)c2C)c1 95998521 LXCPPYASJRTXMP-IBGZPJMESA-N 396.447 2.628 0 40 GFAB COC(=O)[C@]12CCC[C@@H]1CN(C(=O)CCSc1ccc3c(c1)OCCO3)C2 96007869 ZPUFXDXSNHZOCX-VLIAUNLRSA-N 391.489 2.742 0 40 GFAB Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(-n5cncn5)nn4)c3)nc12 96097922 ZNFNARAINVPBGQ-UHFFFAOYSA-N 396.414 2.933 0 40 GFAB COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)nc2ccc(Cl)cn2c1=O 96114901 BMMBECHAMZYSOL-AWEZNQCLSA-N 388.807 2.757 0 40 GFAB biogenic O=C(NCCOc1ccccc1)c1ccccc1OCC(=O)N1CCCCC1 96191934 LGXVDXYHCCDVKM-UHFFFAOYSA-N 382.460 2.887 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)Oc2ccccc21 96367567 MAKQCYBGMQGAAY-GOSISDBHSA-N 379.384 2.763 0 40 GFAB Cc1cc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)ncc1Br 97022068 FOFSUWLSLJXBBE-QGZVFWFLSA-N 389.297 2.501 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 100421589 UHHOZHBNHLXTDL-KGYLXKDPSA-N 392.455 2.685 0 40 GFAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2 105699249 ZPBMEZXJPKFSKL-AESZEHBQSA-N 393.505 2.563 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 106603045 XLHNMUZHUPETJE-UHFFFAOYSA-N 385.221 2.986 0 40 GFAB O=C(O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1 113875820 GUJJECOJWXIZDP-UHFFFAOYSA-N 388.214 2.868 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169355870 XWKQYSFFCKQMDI-OZQHCQBDSA-N 396.418 2.516 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223102774 OOSDSDRSZXVLKT-ZDUSSCGKSA-N 396.896 2.992 0 40 GFAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1 223398191 KQKLLNXGLBBPLP-CYBMUJFWSA-N 376.478 2.657 0 40 GFAB CN([C@@H](C(=O)NCCSCc1ccccc1)c1ccccc1)S(C)(=O)=O 223452018 JFTRKTVQOZARQA-GOSISDBHSA-N 392.546 2.669 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225677870 BSYCQRRMVSMJQP-NSHDSACASA-N 378.475 2.648 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225679342 BYJDKOAUKATBFI-INIZCTEOSA-N 391.493 2.988 0 40 GFAB COc1ccc(F)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](O)C4)nc2C3)c1 247868200 BVHYRRVFSMFKEX-MRUHUIDDSA-N 398.482 2.847 0 40 GFAB O=C(/C=C/c1ccccc1Cl)NCc1nnc2ccc(N3CCCC3)nn12 253472080 IRAIVOINHIYEND-JXMROGBWSA-N 382.855 2.708 0 40 GFAB CS(=O)(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 257270314 MTQWAIFIEZIDAO-ILXRZTDVSA-N 390.427 2.839 0 40 GFAB CC(C)C(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257274441 NLBMEULADPIHTF-IBGZPJMESA-N 393.434 2.876 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 260616278 HQCBPQCQUSGTPC-CQSZACIVSA-N 394.468 2.722 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(C(=O)OC)cc1 409374079 XEEVDHNNQSUYIK-SFHVURJKSA-N 380.400 2.802 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC1CCCCCC1 409393005 UVQORNGERAUQSM-UHFFFAOYSA-N 394.537 2.997 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccc(OC)cc2)CC[C@@]1(C)O 514289958 PUNWKPGJKWTEPI-RJGXRXQPSA-N 398.503 2.524 0 40 GFAB biogenic,in-vitro O=C([C@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 575405735 ZMXXWFSTPMPEQN-WIYYLYMNSA-N 394.471 2.610 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cn1 585081076 HDDBAHQRGMPEDI-UHFFFAOYSA-N 397.447 2.660 0 40 GFAB O=S(=O)(c1cccc2c1OCC2)N1CCC[C@H](c2ncc3n2CCCC3)C1 643213395 GXGDKRXQKGKUCT-INIZCTEOSA-N 387.505 2.723 0 40 GFAB Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1nc([C@H]3CCCO3)n[nH]1)CCC2 654638256 YCJAJBFNIPJXNU-QWHCGFSZSA-N 376.486 2.640 0 40 GFAB CN(C(=O)c1n[nH]c(C2CC2)c1Br)[C@@H]1CCCc2c1cnn2C 676676103 RLGVVJSOOBQLSN-LLVKDONJSA-N 378.274 2.933 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)ncn1 1166765857 HBAWEADFHGMJSG-UHFFFAOYSA-N 376.342 2.872 0 40 GFAB Cc1nc(CC(=O)N(C)[C@@H]2CCCN(C(=O)CC[C@@H]3CCOC3)C2)c(C)s1 1615611762 QIVOOBGROFXEQT-IAGOWNOFSA-N 393.553 2.569 0 40 GFAB Ic1cnc2c(I)cncc2c1 1857782865 QBZGIRUYQVRHRI-UHFFFAOYSA-N 381.942 2.839 0 40 GFAB Oc1nc2ccc(I)c3c2n1[C@@H](c1ccccn1)CO3 1857793666 ZRBKXNRTHMJBFY-LLVKDONJSA-N 379.157 2.723 0 40 GFAB Cc1ccc(C)c(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 1889128396 YJQZNFMDISHVNO-UHFFFAOYSA-N 381.524 2.561 0 40 GFAB O=C(COc1ccccc1)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037985363 HIGKLWXDBQLSRX-UTKZUKDTSA-N 384.451 2.958 0 40 GFAB CNC(=O)[C@@]12CCC3(CCN(CC4CCCCC4)CC3)[C@@H]1CN(C(C)=O)C2 2055796167 HZJODAHSSNBVDB-SIKLNZKXSA-N 375.557 2.653 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)/C=C/c3cccs3)C2)C1 2055835391 UCJUTYUWWGPDFH-YJJPMGAVSA-N 396.472 2.933 0 40 GFAB COc1ccc(CN2CCN(c3cc(C(F)(F)F)nc(C)n3)C[C@H]2C)cn1 2086934313 ZAZPHVXAYRFYTP-GFCCVEGCSA-N 381.402 2.918 0 40 GFAB CCOC(=O)COC(=O)c1cc(Br)cc(Br)c1O 2313079 SGSRCESEXLICCW-UHFFFAOYSA-N 382.004 2.637 0 40 GFAB Cc1nn2c(nnc3c(=O)n(CCC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40396005 BIMIHUNPJOGGFY-UHFFFAOYSA-N 383.795 2.543 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 50447450 MUXGEVPFJIDIPJ-AWEZNQCLSA-N 386.883 2.965 0 40 GFAB CN(Cc1ccccc1N1CCCCC1)C(=O)CNC(=O)COc1ccccc1 10900069 VMDYWRQREZUGKL-UHFFFAOYSA-N 395.503 2.831 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)c1C 3483780 HNGDEIDWPHGDKF-GFCCVEGCSA-N 390.411 2.982 0 40 GFAB COC(=O)c1c(SCC(=O)Nc2ccc3ccccc3c2)nc(=O)[nH]c1C 31618361 PVOKYUCJIOORBJ-UHFFFAOYSA-N 383.429 2.749 0 40 GFAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3Cl)nc21 4338393 OWLQPJDOJMDUCW-UHFFFAOYSA-N 395.806 2.537 0 40 GFAB COc1ccc(OC)c(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)c1 6882174 YTZTTZYYFFOUBS-UHFFFAOYSA-N 396.432 2.826 0 40 GFAB COc1cc(OC)cc(-c2nn(CN(C)CC(=O)NC(C)(C)C)c(=S)o2)c1 8148094 XLVJWUNAOBXITJ-UHFFFAOYSA-N 394.497 2.694 0 40 GFAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)CCC(=O)O)C1 8296263 WNZFVUJODDUHTB-JKSUJKDBSA-N 380.444 2.634 0 40 GFAB biogenic,in-vitro COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)NC(C)C 8475924 WORLTRVTJVTRFO-UHFFFAOYSA-N 376.478 2.654 0 40 GFAB CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)c2ccccc2c1=O 8806870 LPFHCQIYBHEDGM-AWEZNQCLSA-N 379.416 2.909 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 10369071 WQBZANVCZNGKLJ-UHFFFAOYSA-N 376.434 2.714 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-n2nnnc2C)c1 45689204 PWZMYAVNNDRXKB-UHFFFAOYSA-N 380.408 2.753 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccc(OC(F)F)cc1 11513281 YABMEGKKQOJVJE-UHFFFAOYSA-N 376.359 2.720 0 40 GFAB Cc1c(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cnn1C 29285898 ABMBBZCHARFPCR-UHFFFAOYSA-N 382.386 2.585 0 40 GFAB O=C1COc2ccc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)cc2N1 29299201 WDMOLGKVFYBADN-UHFFFAOYSA-N 386.351 2.515 0 40 GFAB CCn1c(=O)c2ccccc2n2c(COc3ccc(C(C)=O)cc3OC)nnc12 29376735 PTSJJIYRLKZITB-UHFFFAOYSA-N 392.415 2.854 0 40 GFAB O=C(CN1CCC[C@H]1c1cccs1)N1CCN(C(=O)c2cccs2)CC1 8341044 ODFRMTGLRBLMEV-HNNXBMFYSA-N 389.546 2.931 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)n2c1nc1ccccc12 23382037 GSXLDPYRVXWLMC-QGZVFWFLSA-N 382.395 2.738 0 40 GFAB C[C@@H](Cn1ccnc1)NC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 42532695 VCYXONOYIUNOGO-HNNXBMFYSA-N 391.427 2.704 0 40 GFAB CCc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 20553713 KROIYAXMWUHOPZ-KRWDZBQOSA-N 377.487 2.755 0 40 GFAB Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 54679586 RXNPMSLLDOPKKU-LLVKDONJSA-N 386.271 2.709 0 40 GFAB COc1ccc(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 24292963 DWSKBVSGODRPMQ-UHFFFAOYSA-N 398.894 2.903 0 40 GFAB C[C@H](NC(=O)CCn1cncn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 55941719 KCDIDIPTLLRGLR-AWEZNQCLSA-N 381.411 2.937 0 40 GFAB CC(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 12557060 LGXIYHGLQBPGAY-UHFFFAOYSA-N 390.461 2.992 0 40 GFAB COc1ccc(Br)c(C(=O)Nc2cc(-n3cnnn3)ccc2C)c1 44599004 SOHBIFKQSFESNJ-UHFFFAOYSA-N 388.225 2.994 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 306131086 JWDBWYNCCMBXFT-KGLIPLIRSA-N 381.411 2.567 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NC[C@@H](O)c2ccccc2F)c1 58209066 RBHJWFIOCHQDPJ-OAHLLOKOSA-N 386.832 2.738 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4nccs4)CC3)nn2)n1 62163445 IKAGIGHSVSLGQR-UHFFFAOYSA-N 383.481 2.591 0 40 GFAB CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3C[C@]21O 12662075 AQWWGXGRAWGACC-RONQAZRQSA-N 377.481 2.647 0 40 GFAB biogenic Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 12792014 HEHULRHMSYJYDC-NSHDSACASA-N 381.837 2.724 0 40 GFAB CN(C)[C@@H](CNC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1Cl 48290575 MKXPEBMKOBVBAF-IBGZPJMESA-N 398.894 2.813 0 40 GFAB COc1ccccc1NC(=O)C1CCN(C[C@H](O)c2ccc3c(c2)OCO3)CC1 48286823 MHHSVEFUXNLERF-SFHVURJKSA-N 398.459 2.808 0 40 GFAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 3473138 WVGZCWZABYFWAK-LBPRGKRZSA-N 387.388 2.659 0 40 GFAB COc1ccccc1COC[C@H](O)CN1c2cccc3cccc(c23)S1(=O)=O 12977044 JJMUENDQKOJSIJ-QGZVFWFLSA-N 399.468 2.935 0 40 GFAB COCCn1c(C)cc(C(=O)COC(=O)c2cc(OC)cc(OC)c2)c1C 3542582 MIBQXPYLMRTYCI-UHFFFAOYSA-N 375.421 2.808 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCC(C)C 4081820 IXPGIVHKVYTNEZ-CRAIPNDOSA-N 378.494 2.824 0 40 GFAB biogenic CSc1ccc([C@H]2N=C(N3CCN(C)CC3)N=C3N=C(C)C=C(O)N32)cc1 49765350 BKKBMRIZZZXNRG-KRWDZBQOSA-N 384.509 2.556 0 40 GFAB C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(N)=O 4365694 OMKNLAIATLYUTD-LBPRGKRZSA-N 382.445 2.688 0 40 GFAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 14244280 YCFMRADLNXTDDZ-KRWDZBQOSA-N 391.475 2.911 0 40 GFAB C[C@H]1Oc2ccccc2N(CC(=O)NCCSCc2ccsc2)C1=O 14201667 PWHLWOGBEPNVFQ-CYBMUJFWSA-N 376.503 2.912 0 40 GFAB COc1ccccc1CNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6623987 LGVAUNWYZQTVQQ-UHFFFAOYSA-N 385.416 2.840 0 40 GFAB biogenic CCOc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 4704948 BAUZGQBYSMMAMA-UHFFFAOYSA-N 376.478 2.528 0 40 GFAB Cc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1N 4971818 ZFJMGGRUNVFTNS-UHFFFAOYSA-N 384.827 2.713 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1 6943398 FLUTUTKTVDQSIZ-RISCZKNCSA-N 384.379 2.849 0 40 GFAB CN(C)S(=O)(=O)c1cccc(COC(=O)CCC(=O)c2ccc(F)cc2)c1 6906337 AVMYOCUNWKVRFT-UHFFFAOYSA-N 393.436 2.782 0 40 GFAB CC(C)c1ccc(CN(C)C(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 9218645 KEZFLWTVURROHC-HNNXBMFYSA-N 399.516 2.896 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2ccco2)o1 7328434 SOVKOAPCHNLPCT-GFCCVEGCSA-N 387.417 2.720 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 19167865 VFAYVFVUCGRBEL-QRVBRYPASA-N 397.862 2.884 0 40 GFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CC(=O)N(Cc2ccccc2)C1 7980370 AWVGBZAROLQLRS-HNNXBMFYSA-N 395.850 2.908 0 40 GFAB CN1CCCN(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3nc21 8061635 NOYOHICGZQONCV-GOSISDBHSA-N 376.416 2.643 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)C[C@H]1Sc2ccccc2NC1=O 8135000 FFOWDIBRBHUTOB-GOSISDBHSA-N 380.473 2.964 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)N3CCc4ccccc4C3)CC2=O)c1 8267810 MLYFIZUNZJGRMH-QGZVFWFLSA-N 380.444 2.642 0 40 GFAB COc1cc(/C=C/C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1O 97141858 OQDQUZSQBHMISE-UXBLZVDNSA-N 380.444 2.707 0 40 GFAB O=C(O)C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 95949152 UVKJEEAOADNIFQ-CQSZACIVSA-N 386.389 2.788 0 40 GFAB Cc1cc(=O)c(O)c(C2(CC(=O)NCc3cccc4[nH]ccc34)CCOCC2)o1 1547138810 SNHCBELMIIDNDA-UHFFFAOYSA-N 396.443 2.890 0 40 GFAB biogenic CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 26438978 BAGBUJVOVVZUBA-IBGZPJMESA-N 377.496 2.735 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 408546614 FWYSNSNFZXQQEQ-OAHLLOKOSA-N 396.534 2.792 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC1CCCCCCC1)O2 30944125 LXYVYSKXCCRNFX-SFHVURJKSA-N 380.510 2.751 0 40 GFAB O=C(N[C@@H]1CCCN(C(=O)NCc2cc[nH]n2)C1)c1ccc2ccccc2c1 531024399 YVAOWRBAOFMRJP-LJQANCHMSA-N 377.448 2.667 0 40 GFAB Cc1ccc(Cc2cccc([C@H]3CCCN3CC(=O)N3CCOCC3)n2)cc1 72357632 GWJQUVGJAWSSAX-JOCHJYFZSA-N 379.504 2.977 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(F)c(F)c1)CC(=O)N2 31807861 KJSDRSPYIPZSST-JTQLQIEISA-N 381.346 2.599 0 40 GFAB Cn1c(COc2ccccc2F)nnc1N1CCN(CCc2ccccc2)CC1 508594946 ODLYODVGMLPMMJ-UHFFFAOYSA-N 395.482 2.898 0 40 GFAB Cc1ccc(CN(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 222778081 FSSYSTRTWWJBFT-UHFFFAOYSA-N 388.533 2.814 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)cc1 222643324 YRVHTJHJCIWDQT-UHFFFAOYSA-N 392.462 2.509 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 224078200 UCXLTZLNXDOSJY-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB CCOC(=O)Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 225860871 JUYFOFVQMCKACC-UHFFFAOYSA-N 376.412 2.916 0 40 GFAB CC(C)Oc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225860839 NBRVAKDMBOSHJM-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB Cc1cc(C)n(CCCNC(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)n1 96181590 IBBRBYOJNJDFGO-UHFFFAOYSA-N 388.899 2.984 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253568717 LONIVXUGOWXYRZ-ZIAGYGMSSA-N 395.463 2.934 0 40 GFAB CCS(=O)(=O)N1[C@H]2CC[C@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 253491541 MZNPPLXSNIAPOJ-GUYCJALGSA-N 398.488 2.816 0 40 GFAB COc1ccc(Br)c([C@@H](CO)N(C)C(=O)Cc2cnccc2C)c1 615747902 GLWDTDHJLMEFFM-QGZVFWFLSA-N 393.281 2.896 0 40 GFAB C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1C(=O)c2ccccc2C1=O 59897462 GWZQBXJDTGXVPL-CQSZACIVSA-N 397.862 2.673 0 40 GFAB CCOCCC(=O)N1CCOC2(CCN(CC3CCC(F)(F)CC3)CC2)C1 1615611689 OIXQOADZTQLFKF-UHFFFAOYSA-N 388.499 2.932 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 5005001 LQYDXPSBAJFCQQ-HNNXBMFYSA-N 383.514 2.531 0 40 GFAB O=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1N1CCCC1=O 11012760 GCZKZFNCWPQRIR-UHFFFAOYSA-N 390.399 2.552 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3(c4ccccc4)CCC3)ccc21 11177709 DMJMJYHHOKSELO-UHFFFAOYSA-N 377.444 2.561 0 40 GFAB Cc1cc(-c2cncnc2C2CCN(C(=O)Cn3nc(C)cc3C)CC2)on1 12118327 SEPBBSOZSFOSGX-UHFFFAOYSA-N 380.452 2.660 0 40 GFAB Cc1c(CC(=O)N[C@@H](CO)C(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 13550096 RHHNPXVWGJKNMX-KRWDZBQOSA-N 387.476 2.881 0 40 GFAB biogenic O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCc1ccco1 14227528 MEWYUHDUOWIWEP-UHFFFAOYSA-N 375.475 2.616 0 40 GFAB CCC[C@@H]1O[P@](=O)(N(CCOC(C)=O)CCOC(C)=O)OC[C@H]1CC 16969917 OBBOKOIRFWDVHH-TWKFVSLJSA-N 379.390 2.764 0 40 GFAB COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@H](OC(=O)CC(C)C)C(C)(C)O 14589873 GMMHQFAVUZIMEL-MOPGFXCFSA-N 378.421 2.564 0 40 GFAB biogenic,in-vitro CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16021959 HLJFSDOUDBCMRB-WIHXCHPFSA-N 389.883 2.515 0 40 GFAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)N5CCN(CCO)CC5)(C4)C2)C3)cc1 16488814 GNUDEVGDKFGKOL-TUUBTQOTSA-N 397.563 2.905 0 40 GFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NC1CCCC1 19935188 TUEAZWIRYZSPFX-UHFFFAOYSA-N 386.901 2.562 0 40 GFAB COCCCNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156888 VEAYNKHVBVTJBI-QGZVFWFLSA-N 378.444 2.658 0 40 GFAB O=C(NCc1cccnc1)c1cc(-c2cccnc2)c(N2CCOCC2)s1 13266210 GDHYBNMRINJWKO-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB CCN1CCN(C(=O)COC)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527467 BZKGIBGRWZFVPJ-FQEVSTJZSA-N 398.478 2.989 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)CC2(CCCCC2)O1 585091103 YBKXGFZBUVVVKX-QGZVFWFLSA-N 390.528 2.655 0 40 GFAB Cn1cc(C(=O)N2C[C@H]3CCC[C@]3(COc3ncc(F)cn3)C2)c(C(F)F)n1 1888876478 XOOKXZMRNPCTOP-ADLMAVQZSA-N 395.385 2.608 0 40 GFAB O=C([C@@H]1CCc2ccccc2O1)N1CCC(COc2ccc3nccn3n2)CC1 1888909711 ODGNEAWVFWBMLP-IBGZPJMESA-N 392.459 2.741 0 40 GFAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1=O 36685874 MKUMBSUUTQWJTI-UHFFFAOYSA-N 383.492 2.776 0 40 GFAB Cc1cccnc1CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)N(C)C2=O)C1 2037873542 UUWGUTQQTLFWNM-FUPPJEDESA-N 379.504 2.937 0 40 GFAB Cc1cnn(C)c1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988670 CWTHNXPOXJQUGU-NRFANRHFSA-N 386.471 2.656 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@H]3C[C@]32C(=O)NC2CCC2)c(C)cc1Cl 2056225432 WDBFKOCYEGPFDG-SCLBCKFNSA-N 382.913 2.779 0 40 GFAB Cc1cc(OCC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)ncn1 1565523313 KDUZRMXVWPZJPE-UHFFFAOYSA-N 377.448 2.902 0 40 GFAB Cc1csc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)n1 4478991 TYBMKKJUKXVAST-UHFFFAOYSA-N 383.462 2.682 0 40 GFAB COc1cccc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 4569307 MYWBUBGETZMGES-KRWDZBQOSA-N 388.489 2.587 0 40 GFAB COc1ccc(CCC(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954819 XVXOACYWUGWCKP-UHFFFAOYSA-N 383.473 2.729 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(C(C)=O)CC3)c(O)n2n1 22855124 RLUGVPDNYMEUPB-QGZVFWFLSA-N 399.520 2.621 0 40 GFAB O=C(CSc1ccncc1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974916 XCQXRBUQDRMXAX-UHFFFAOYSA-N 396.447 2.620 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1 206700775 CHLCGRUUQRLHLO-KRWDZBQOSA-N 396.490 2.503 0 40 GFAB O=C(Cc1noc2ccccc12)N1CC(n2cc(COc3ccccc3)nn2)C1 225627664 WPUWRVMSXVSXMZ-UHFFFAOYSA-N 389.415 2.624 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575608553 GJIKLHVKZCLXAD-ZDUSSCGKSA-N 376.800 2.934 0 40 GFAB O=c1ccc(C2CC2)nn1CC1CCN(c2nccc(C(F)(F)F)n2)CC1 585503360 ZHZLINCWPMIRDK-UHFFFAOYSA-N 379.386 2.846 0 40 GFAB O=C(c1cccc2ccccc12)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255398 BXPJEADXNQWORE-UHFFFAOYSA-N 377.444 2.871 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1Cl)C(C)C 36589968 BCDYBLVLTJRNJH-WBVHZDCISA-N 390.871 2.918 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1c[nH]c2ccccc12 40002581 BMTLQUHJHGTZSH-UHFFFAOYSA-N 391.471 2.940 0 40 GFAB COC(=O)c1sccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 36391207 IYNPZVVSMMNZJZ-UHFFFAOYSA-N 398.462 2.555 0 40 GFAB CCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 16183275 VPFFCXDHYAACBP-UHFFFAOYSA-N 382.265 2.581 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)s1 1324922 CBMHXYSKVLDRDP-LBPRGKRZSA-N 394.522 2.916 0 40 GFAB CCCn1c(C)cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 4250966 HRRBRYNLCDUKTH-UHFFFAOYSA-N 385.855 2.570 0 40 GFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 6730731 RTARCSWGSRIDLF-ATLSCFEFSA-N 376.884 2.731 0 40 GFAB COc1ccccc1-n1cnc2cc(C(=O)N3CCSCC3)ccc2c1=O 32093003 UINVEDVTKUFJKN-UHFFFAOYSA-N 381.457 2.583 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1 10324668 FYCQRYXZQUYSNY-LBPRGKRZSA-N 387.461 2.608 0 40 GFAB COc1cccc(CN(C)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1 20916565 LQPJHWWMZUVQEW-AWEZNQCLSA-N 388.489 2.678 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccccc1F 11223142 CWAYUTUTQSTKSN-UHFFFAOYSA-N 381.333 2.758 0 40 GFAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1cnn2c(-c3ccccc3)ccnc12 51066742 OBZVXRXXKLLARS-UHFFFAOYSA-N 389.459 2.527 0 40 GFAB COc1cccc([C@@H]2c3c(-c4ccc(F)cc4)nnc(O)c3Nc3nnnn32)c1 9202029 KPZUGGZWFKRANG-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1ccsc1)CC2 32731311 WZWDMGVFQNOTJV-UHFFFAOYSA-N 388.489 2.860 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)c1 32814390 QMBIWRMIWQCDTC-UHFFFAOYSA-N 385.445 2.603 0 40 GFAB COc1ccccc1CSc1nnc(Nc2cccc(C(C)=O)c2)c(=O)n1N 28536407 JAEHITZFZDVFFE-UHFFFAOYSA-N 397.460 2.599 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 23746939 AQSLQVMSSZTILK-KDURUIRLSA-N 398.503 2.820 0 40 GFAB CCNC(=O)CN1CCCN(C(=O)c2sc3cccc(F)c3c2C)CC1 60093147 VVNICQNZJMKPDL-UHFFFAOYSA-N 377.485 2.633 0 40 GFAB CCN1CCN(C(=O)CCn2nc(C(F)(F)F)c(Br)c2C)CC1 28227675 UQUROZYTURWLPD-UHFFFAOYSA-N 397.239 2.527 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(C3OCCCO3)c2)cc1OC 643484 CTEAGFFURUNACJ-UHFFFAOYSA-N 379.434 2.940 0 40 GFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1 953271 PDUYGZRQLUOFAU-IBGZPJMESA-N 384.501 2.672 0 40 GFAB Cc1nn(Cc2ccc(C(=O)NCCCN3CCCC3=O)o2)c(C)c1Cl 2782324 IXVARTMCCNHDAS-UHFFFAOYSA-N 378.860 2.537 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 23701772 GVXHIHCCTXTQLI-UHFFFAOYSA-N 377.872 2.711 0 40 GFAB COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2 23862780 IOYFBVXUYLUDHJ-UHFFFAOYSA-N 378.402 2.827 0 40 GFAB COc1ccc(C2=C[C@@H](c3ccco3)n3nc(CCCO)nc3N2)cc1OC 100892642 BVVCHRZLBJOGGC-HNNXBMFYSA-N 382.420 2.869 0 40 GFAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2O1 24834314 PZHFFPIOQBDKFH-LJQANCHMSA-N 394.452 2.795 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4ccnc4)nc3)CC2=O)c1C 25010886 HUKBAMWQNUOAJC-INIZCTEOSA-N 375.432 2.876 0 40 GFAB CC(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 63527667 CIVLBQHBKZNIFI-KRWDZBQOSA-N 388.361 2.698 0 40 GFAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)NCCNC(=O)C(C)C 47726988 DVWBCAWQEJYFHE-UHFFFAOYSA-N 388.512 2.951 0 40 GFAB COc1cccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2C)c1 408886728 LRJZIQHOTAEKOJ-UHFFFAOYSA-N 397.456 2.986 0 40 GFAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(C(=O)NCc2ccco2)CC1 58130655 OTFUYHQMNIURFI-KRWDZBQOSA-N 383.492 2.827 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2107574 BMUZWICCRQHOTG-QGHHPUGFSA-N 375.421 2.664 0 40 GFAB biogenic COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1OC 10430202 WOHFLEMLJYMGFC-UHFFFAOYSA-N 383.448 2.673 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc3ccccc23)c1 3370601 FVKPMBPODCORLO-UHFFFAOYSA-N 398.440 2.543 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)N[C@H](C)c3ccccc3)c(=O)c2c1C 12773935 QUKZVKHUKQZWCM-CYBMUJFWSA-N 399.472 2.821 0 40 GFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2nccs2)CC1 12773106 DNTKXYFOFMHTON-UHFFFAOYSA-N 377.413 2.673 0 40 GFAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)NCCC1=CCCCC1 3519668 PVMVEYTYAQFWQD-UHFFFAOYSA-N 389.500 2.821 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)cc1 7050188 LCSUYQZROSJBDA-CQSZACIVSA-N 385.445 2.683 0 40 GFAB Cc1cc(=O)n2nc(COC(=O)CCC(=O)c3cc(C)sc3C)sc2n1 7254904 KXAOYSUKDSLILM-UHFFFAOYSA-N 391.474 2.844 0 40 GFAB O=C(Nc1ccccc1F)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13733708 JCEXVASFGXKHMK-LBPRGKRZSA-N 377.441 2.513 0 40 GFAB CC(=O)N1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 39979687 OAYKWCGJSCWPGG-UHFFFAOYSA-N 384.807 2.648 0 40 GFAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc(N)nc(N(C)C)n1 14160113 AHHGSAXYKVJXRU-NSHDSACASA-N 380.452 2.798 0 40 GFAB NC(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 4523954 KKCCJEBAYZKOPF-UHFFFAOYSA-N 393.266 2.926 0 40 GFAB CN(C)S(=O)(=O)c1cc(C(=O)Oc2ccccc2)ccc1Br 7657646 NNGDBGKOFGHKOJ-UHFFFAOYSA-N 384.251 2.919 0 40 GFAB CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)c1 6753044 ROAQFTPYMKXAPH-FQEVSTJZSA-N 379.416 2.719 0 40 GFAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7709278 MTQAJMQRFMBTLK-UHFFFAOYSA-N 399.472 2.506 0 40 GFAB COC(=O)CCSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 8528837 UFBCADAPPCLSQH-UHFFFAOYSA-N 394.456 2.748 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 8936464 ZZXDMQUQIUVXOB-HNNXBMFYSA-N 392.546 2.841 0 40 GFAB CC(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccco1 9060570 BSNYLNINRDWZBF-MRXNPFEDSA-N 375.450 2.985 0 40 GFAB Cn1nc(C(C)(C)C)cc1NC(=O)CN(Cc1ccccc1)[C@@H](CO)C1CC1 89694662 ZYDQFAMHGFZFBN-SFHVURJKSA-N 384.524 2.929 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20108009 GLZAOHBCMFRRLD-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB CCOc1ccccc1OCCCC(=O)N(CCN(C)C)C[C@@H]1CCCO1 72278358 QIKKSGAQUIMWOP-SFHVURJKSA-N 378.513 2.814 0 40 GFAB N[C@H]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 97019615 BRVPJHYOACOWOR-LBPRGKRZSA-N 376.810 2.530 0 40 GFAB COc1cccc(C[C@@H](C(=O)N[C@H]2CCCc3occc32)n2nnnc2C)c1 84297281 SPHMCQPCXBSQLM-ROUUACIJSA-N 381.436 2.561 0 40 GFAB CCOC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(I)c1 89978171 SJLJLRDFNWTHKL-OAHLLOKOSA-N 387.217 2.849 0 40 GFAB COc1cccc2c1OC[C@@H](C(=O)NC(C)(C)c1cn(-c3ccccc3)nn1)C2 84370410 VSZKXNYDNPMUJR-INIZCTEOSA-N 392.459 2.879 0 40 GFAB Cc1noc(C)c1CCC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 95393437 ZHDGBXMUMXGWEN-UHFFFAOYSA-N 376.501 2.847 0 40 GFAB CCC(=O)Nc1cccc(C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)c1 95462386 DXHKENMELVBGIF-UHFFFAOYSA-N 391.431 2.880 0 40 GFAB CCOc1ccc(CN2CCN(Cc3nc4sccc4c(=O)[nH]3)CC2)cc1 79105540 GBBNCRQSJIZMDS-UHFFFAOYSA-N 384.505 2.701 0 40 GFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c(O)c(OC)c1 85412923 YULFLJNZBMDUAQ-KXBFYZLASA-N 398.367 2.582 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1N1CCOCC1 9906478 JWLGDAHMFAIZFE-UHFFFAOYSA-N 398.850 2.525 0 40 GFAB O=C(NCc1cccs1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408707706 CKGXPJXADULCBZ-UHFFFAOYSA-N 393.468 2.933 0 40 GFAB COc1cc2nc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)[nH]c2cc1OC 527196076 KKAHMXJTKIRWQO-MHWZDGSBSA-N 385.342 2.875 0 40 GFAB COc1cc(-c2noc(CN3CCC(Oc4cccc(F)c4)CC3)n2)ncn1 528571639 NCKPTQQVVVIZRA-UHFFFAOYSA-N 385.399 2.718 0 40 GFAB Cc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2C)cc1 537431902 LDUNWHWDNMYWRW-UHFFFAOYSA-N 375.432 2.932 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)ncc2C1 72390864 DIUFQJQBJYZHSC-LJQANCHMSA-N 392.503 2.720 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1 72374204 BNATURBBKITJFF-UHFFFAOYSA-N 389.525 2.986 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1Cl 223306088 FKFLKFTUNTUNNC-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB O=C(O)C(Oc1ccn(-c2ccccc2)n1)Oc1ccn(-c2ccccc2)n1 196786460 JZMXOZYIRZQDJE-UHFFFAOYSA-N 376.372 2.927 0 40 GFAB C[C@H]1CN(C(=O)Nc2nc(CN3CCOCC3)cs2)Cc2ccccc2O1 574109009 MUBABXIADMZFRQ-AWEZNQCLSA-N 388.493 2.790 0 40 GFAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225622454 WRNKPLLPRLZLMS-NRFANRHFSA-N 392.496 2.848 0 40 GFAB C[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)CCCC2 49581027 VHUSWSDXNQIUDH-OAHLLOKOSA-N 390.487 2.611 0 40 GFAB Cc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 224833426 ACFVACOUPGRJBR-UHFFFAOYSA-N 397.836 2.700 0 40 GFAB CN(C)c1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)nc1 571505896 AUODNZUXGLHGIC-QGZVFWFLSA-N 395.467 2.689 0 40 GFAB COCCn1ccc2c(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cccc21 95475884 HTIRNHCQDYMQJH-OAHLLOKOSA-N 381.432 2.868 0 40 GFAB Cc1ncc(C(=O)N2CCC[C@@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)cn1 257281413 OPBAKCSJKDMVPJ-INIZCTEOSA-N 392.463 2.942 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCCn2ccnc2C)[C@@H]1c1ccccc1OC 257341270 ZJPGNLDXUJBMRG-NQIIRXRSSA-N 398.507 2.706 0 40 GFAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](c3cc(CCO)[nH]n3)C2)o1 257309071 TZKDMKVJULPMBX-AWEZNQCLSA-N 381.432 2.892 0 40 GFAB Cc1ccc(CC2CN(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)C2)cc1 664550351 DIRBIFLYTDWJJI-KRWDZBQOSA-N 390.487 2.978 0 40 GFAB C[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101340875 PVCNRBFQNXVZPS-QRQLOZEOSA-N 395.503 2.585 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104704590 JNFAQMOKIASNLD-CVYDXHPNSA-N 397.475 2.857 0 40 GFAB Cc1ccccc1OCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615121847 OMAGLTMDTRRQOR-HSZRJFAPSA-N 394.471 2.798 0 40 GFAB Cc1cc2n(n1)C1(CCN(C(=O)C3CCC3)CC1)CC(=O)N2Cc1ccncc1 1772596445 IIEZNUMXOPXKCI-UHFFFAOYSA-N 393.491 2.641 0 40 GFAB CCn1ncc(C(=O)N2CCC3(CC2)C[C@@](O)(c2ccc(F)cc2)CO3)c1C 12145881 XDHVIZQOCICVNO-NRFANRHFSA-N 387.455 2.633 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)c1 12903139 AVIYSDIHYHZXLY-UHFFFAOYSA-N 395.381 2.547 0 40 GFAB Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)nn2)c(C)c1C 13008971 HBSXZWAEPOCNRD-UHFFFAOYSA-N 394.454 2.689 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1Cl 13019616 KMSVFOVVAZTWFL-OAHLLOKOSA-N 388.807 2.705 0 40 GFAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 13668823 ZKFRTZUFWIEQMC-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CC[C@@H](C(=O)NCc1ccncc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716373 RRZJQEONRIDXCY-SFHVURJKSA-N 375.494 2.559 0 40 GFAB COc1ccc(-c2n[nH]c(NCCc3ccc(OC)c(OC)c3)nc2=O)cc1 16048501 TYCUGCAPLOIRND-UHFFFAOYSA-N 382.420 2.512 0 40 GFAB Cc1cc(-c2cncnc2C2CCN(C(=O)c3cnn4cccnc34)CC2)on1 19124216 OGLNHXZDLWXRAF-UHFFFAOYSA-N 389.419 2.503 0 40 GFAB C[C@@H](Cn1cncn1)C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19457848 VSABPDBOKWILET-QFBILLFUSA-N 392.459 2.786 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)C1=O 19460135 MYYWTTIFBZWPCK-NBMJBFSESA-N 383.492 2.796 0 40 GFAB COc1ccc(OC)c(CN2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19551448 BDTSEIARTYPTDR-INIZCTEOSA-N 392.459 2.839 0 40 GFAB Cc1nn(C)cc1C(=O)N1CC[C@H](n2nc(-c3cccs3)ccc2=O)[C@H](C)C1 19583435 LXNKVZOOFFIRTA-DYVFJYSZSA-N 397.504 2.737 0 40 GFAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)COC)C1 19591111 CTBXYHGYOAKADZ-NRFANRHFSA-N 386.517 2.959 0 40 GFAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)C1 19709289 HDDJUNGYZWDZMU-HXUWFJFHSA-N 381.524 2.679 0 40 GFAB Nc1nc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)ccc1C(=O)N1CCCC1 19765787 PXXBAUGIQKGDLG-MRXNPFEDSA-N 382.508 2.962 0 40 GFAB CCN1C[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12274933 CSPDHEYWKWFOLL-CRAIPNDOSA-N 393.491 2.537 0 40 GFAB CC(C)N1CCc2c(nc(C3CCN(C(=O)C4CCCCC4)CC3)[nH]c2=O)C1 19448457 CJQCJOBQTWUQJK-UHFFFAOYSA-N 386.540 2.823 0 40 GFAB Cc1cc(N2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)n2ncnc2n1 1888888129 AAAHSQFGRKYGMB-UHFFFAOYSA-N 392.511 2.724 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1)c1ccco1 32876609 OSHIVOJUSPGCQI-UHFFFAOYSA-N 396.447 2.506 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985794 WKUHLVDUAHRMDI-QHCPKHFHSA-N 394.471 2.880 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4ncoc4C(C)C)CC3)nn2)n1 2087144464 HVBQJBSRVPTVMN-UHFFFAOYSA-N 381.484 2.713 0 40 GFAB CCOc1cc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OC 5123243 OAELEZDAYZQOIW-MRXNPFEDSA-N 383.448 2.699 0 40 GFAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3C(N)=O)c2=O)c1 5270145 FABUYRXSKLMDLD-UHFFFAOYSA-N 375.428 2.865 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1c1ccc(F)cc1 9036457 XUJPFKPMLNGSBK-LBPRGKRZSA-N 382.844 2.811 0 40 GFAB Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c(C)c1 9526711 ZZFGSPKJZVNVCD-UHFFFAOYSA-N 390.487 2.653 0 40 GFAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12 10256126 IJGDNIIPJRRIEO-SFHVURJKSA-N 375.428 2.753 0 40 GFAB Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2c1cnn2-c1ccccc1 12227883 BMBNLWZVJJSWCA-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB CC(C)c1nn(CC(=O)NC2CCCC2)c(=O)c2c1cnn2-c1ccccc1 12228896 MLFMIUVNOUBVOL-UHFFFAOYSA-N 379.464 2.764 0 40 GFAB CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1cn(C)nc1OC 12422647 XFTWCHASGDNKNY-UHFFFAOYSA-N 387.465 2.786 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775974213 DHJRNTCLTLLPCE-UHFFFAOYSA-N 387.383 2.728 0 40 GFAB CCOCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(C)(=O)=O)ccc21 100873576 BOGRSJYKHCSARF-VLGSPTGOSA-N 384.523 2.616 0 40 GFAB COCCNC(=O)Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 38678540 ZJQQFICLLZZFKB-UHFFFAOYSA-N 379.416 2.899 0 40 GFAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)Nc3ccccc3)C2)n(-c2cccnc2)n1 2332241730 YINUBXWFGWEBRS-KFKAGJAMSA-N 392.463 2.789 0 40 GFAB CC(C)(C)OC(=O)N1CCN(Cc2nc3c(oc4ccccc43)c(=O)[nH]2)CC1 40071625 JQZLPORPUIBRSR-UHFFFAOYSA-N 384.436 2.722 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 58401733 JEFOHZPWHIYTLW-GFCCVEGCSA-N 393.336 2.567 0 40 GFAB C[C@@H](SCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1Cl 36394173 QDOYFYDFCHKZFD-GFCCVEGCSA-N 392.912 2.972 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@@H]2CCN(c3ccc(C)c(C)c3)C2=O)c1C 50770183 BIHZPHCKZPZXQC-SFHVURJKSA-N 381.476 2.993 0 40 GFAB O=C1N[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 4086342 JMWAGBGINOXEHS-XEZPLFJOSA-N 399.756 2.839 0 40 GFAB CC(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)C1CCCCC1 4848343 OLHMWDLBQJUIAQ-UHFFFAOYSA-N 380.514 2.548 0 40 GFAB Cc1nn2c(=O)c3c(cc(C)n3CC(=O)Nc3ccc(F)c(C)c3)nc2s1 51357399 OZQLYRZPQHZPRJ-UHFFFAOYSA-N 385.424 2.809 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3OC)C2)cc1OC 6590541 UAWFOZBVTNTNDA-INIZCTEOSA-N 390.461 2.823 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)OCCCn1c(=O)[nH]c2ccccc21 6606735 QURZCIYQNGNQQW-UHFFFAOYSA-N 392.415 2.771 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4C)[C@@H]3C2=O)cc1C 101169341 RCENVAMDHBFNCK-OALUTQOASA-N 391.431 2.544 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 7940157 RQQIGLHJVCLJPK-INIZCTEOSA-N 396.443 2.792 0 40 GFAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cccc(C(=O)O)c3)nn1C)C2 32124312 XZEWMTYORVJQKT-UHFFFAOYSA-N 393.399 2.959 0 40 GFAB biogenic Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCc1ccccc1-n1cccn1 36614863 CLUXBSLHHBLTAL-UHFFFAOYSA-N 381.408 2.559 0 40 GFAB CN(CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 36705298 WDRUXFAYRYVGCZ-UHFFFAOYSA-N 380.897 2.756 0 40 GFAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(N(C)C)cc1 11460430 DWVBXOWKRWWONE-CYBMUJFWSA-N 379.416 2.778 0 40 GFAB C[C@@H](CNC(=O)CCNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 53026180 WTLVRWFXJTWRDE-INIZCTEOSA-N 383.467 2.509 0 40 GFAB O=C(NCCC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc(F)cc1 53009113 IMOBSVCQRSMZDR-UHFFFAOYSA-N 383.467 2.680 0 40 GFAB Cc1csc(=O)n1CCC(=O)OCC(=O)c1ccc(Br)cc1 22373581 IRZITIQZSWJPIO-UHFFFAOYSA-N 384.251 2.797 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 7990293 CUFQPXCCRXBCLN-UHFFFAOYSA-N 395.503 2.596 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ccsc3)CC2)c1 22635277 RTCHWTVWLWHROR-UHFFFAOYSA-N 392.546 2.831 0 40 GFAB Cc1ccn(C(=O)CN2C(=O)NC3(CCCC3)C2=O)/c(=N/C2CCCCC2)c1 23199249 YCKQZMXWTIBJSM-OQKWZONESA-N 384.480 2.535 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc(OC)ccc3OC)C2)cc1 1018721 ZEGZHJPTUVRYBW-SFHVURJKSA-N 390.461 2.823 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1cnn(-c3ccccc3)c1)C2=O 23718860 HACCHMJLNAEGKX-UHFFFAOYSA-N 381.480 2.762 0 40 GFAB CCOC(=O)C1=C(CNC(c2ccccc2)c2ccccc2)NC(=O)N[C@H]1C 23752131 LBRPRHZSARCAHP-HNNXBMFYSA-N 379.460 2.884 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](C(=O)OCC)C2)c1C 105119480 WRCIABDVMDFQBI-HUUCEWRRSA-N 378.469 2.655 0 40 GFAB CC(C)c1nc2oc3c(=O)n(CC(=O)N4CCCC4)cnc3c2c2c1CCC2 12325094 KNFYUPLIZYHBAZ-UHFFFAOYSA-N 380.448 2.772 0 40 GFAB COc1ccc(CN2CCn3c(CO)nnc3C2)cc1OCc1ccccc1F 57822966 FIOWMKZDABNLKC-UHFFFAOYSA-N 398.438 2.513 0 40 GFAB Cc1cccnc1NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F 12536448 ZKYJYGUKYQGFJW-UHFFFAOYSA-N 387.383 2.716 0 40 GFAB CC(C)c1ccc(-c2nnc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)s2)cc1 16695318 MENJIJKDWGMISU-CQSZACIVSA-N 394.522 2.691 0 40 GFAB CCOc1cc2c(cc1CN1CCC(N(C)S(=O)(=O)CC)CC1)O[C@@H](C)C2 109009559 JXUMFKWYRYUUFM-HNNXBMFYSA-N 396.553 2.655 0 40 GFAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cn(C)nc3-c3ccncc3)CC2)C1 58016515 TVSTYHIPZXIRFM-INIZCTEOSA-N 395.507 2.593 0 40 GFAB CC(C)n1ncc2cc(NC(=O)N3CCN(C(=O)N4CCCCC4)CC3)cnc21 58179386 IYQWDASSANRFOH-UHFFFAOYSA-N 399.499 2.768 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1 58186171 VOIPNVRQLKTDOP-UHFFFAOYSA-N 376.478 2.559 0 40 GFAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3239889 XBTXMAMSCWFRTN-UHFFFAOYSA-N 375.402 2.941 0 40 GFAB CNC(=O)c1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)ccc1Cl 58200885 VENHGXRMWSTOIC-OAHLLOKOSA-N 377.828 2.686 0 40 GFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 408612756 YPGGFCJVXDBEQG-CYBMUJFWSA-N 380.441 2.918 0 40 GFAB CC(C)(C)OC(=O)NCC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 58316653 SPCMAPIKMJWXEN-QGZVFWFLSA-N 376.453 2.590 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(C)s2)c1 3290605 WWHZDDHLRKBWLY-CYBMUJFWSA-N 388.445 2.559 0 40 GFAB COC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc2c1CCCC2 3259970 XHEGQXANGXDANP-UHFFFAOYSA-N 397.460 2.706 0 40 GFAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCc1nnc2ccccn12 12779745 TWQGKTPLQJJZLZ-GOSISDBHSA-N 393.491 2.541 0 40 GFAB COc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1 48244276 ARUHTZJQGUPIJJ-UHFFFAOYSA-N 378.450 2.863 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c(C)c1 12998548 VVTRFJPTBQVUCH-QGZVFWFLSA-N 397.475 2.812 0 40 GFAB COc1cc(C(=O)NCc2ccccc2CN2CCOCC2)cc(OC)c1C 12981917 CMAYERBFUQRWSG-UHFFFAOYSA-N 384.476 2.774 0 40 GFAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1OC 13004005 DRUUHHCSZZYJEA-HNNXBMFYSA-N 386.423 2.873 0 40 GFAB Cc1ccc(OCc2n[nH]c(SCn3nnc4ccccc4c3=O)n2)cc1 6064827 OXFXDJMMOIBOCX-UHFFFAOYSA-N 380.433 2.547 0 40 GFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 6104189 ASAIBDGUWXOSIE-KBXCAEBGSA-N 379.478 2.918 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Cl)ccc1O 5215850 NJEBLRGNJYPKRB-LLVKDONJSA-N 388.807 2.966 0 40 GFAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 306129103 HUSCBRFRCQKEJW-UHFFFAOYSA-N 385.487 2.784 0 40 GFAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCCCC1 4575047 BWGSAPQPROBPRH-UHFFFAOYSA-N 380.510 2.689 0 40 GFAB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)Nc1cc(Cl)ccc1Cl 5511702 JNLLBBLRMKHESZ-HNNXBMFYSA-N 381.215 2.888 0 40 GFAB CCCn1nnnc1COC(=O)c1cccnc1Nc1ccc(OCC)cc1 14640174 QKLGPIAXAIPYQB-UHFFFAOYSA-N 382.424 2.977 0 40 GFAB C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 4962731 QWXDOPPWBAQDGV-INIZCTEOSA-N 379.526 2.532 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(F)c(Cl)c1 6928347 LHUPKBNTPVYVEO-UHFFFAOYSA-N 382.750 2.530 0 40 GFAB CCCN1CCc2nc(SCC(=O)N[C@H]3CCc4ccccc43)nc(O)c2C1 67291925 GCRKJPRJXKPDAS-KRWDZBQOSA-N 398.532 2.846 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c(F)c1 67320529 SISTVGNERLSIEW-UHFFFAOYSA-N 385.370 2.533 0 40 GFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCc1nc2ccccc2s1 7535274 GDTHVQNBPOTQCW-UHFFFAOYSA-N 385.376 2.996 0 40 GFAB O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCc2ccccc21 8944757 WUSZRCQHHLROHX-UHFFFAOYSA-N 382.441 2.961 0 40 GFAB COc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 19483073 WCIIVMHTXKLOIZ-AWEZNQCLSA-N 385.416 2.955 0 40 GFAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc2cnccc12 83295765 ZYSUPDFXPOJRSC-CQSZACIVSA-N 391.493 2.865 0 40 GFAB in-vitro CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cn1 72284237 MPNWBYDKDSZZEO-UHFFFAOYSA-N 385.848 2.908 0 40 GFAB COc1ccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)cn1 72403084 LBXCZQOMGAXOMN-UHFFFAOYSA-N 379.416 2.778 0 40 GFAB COc1ccc(-c2nc(C(=O)N3CCSC[C@H]3CC(=O)O)cs2)cc1 95970125 NKQXIJNVIIHUJE-GFCCVEGCSA-N 378.475 2.851 0 40 GFAB CCOC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 79099562 IUZFJJYGNDYNLK-OAHLLOKOSA-N 383.448 2.761 0 40 GFAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C(C)C)c1 60242960 QNGMWPWGRISWAU-IBGZPJMESA-N 394.475 2.579 0 40 GFAB CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408592101 NWDRAVZZVNTKAJ-UHFFFAOYSA-N 383.514 2.798 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(C)c1 408607136 NARACUOFQWMGJZ-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CC(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 31729482 YDIWRYCJNNXYDM-YIXHJXPBSA-N 384.457 2.982 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2cc(OC)ccc2OC)c1 63765042 ZHCBSAVPSZYBTI-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1C 408618347 FSJGRFTVTZTUIB-UHFFFAOYSA-N 376.434 2.664 0 40 GFAB CCOC(=O)c1ccc(Oc2coc3cc(OCC(N)=O)ccc3c2=O)cc1 703846 SJKZQFQBZZGPJZ-UHFFFAOYSA-N 383.356 2.626 0 40 GFAB biogenic CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3nc(C)no3)cc2)cc1 510152284 NJRDQVHJKZWGSW-UHFFFAOYSA-N 387.417 2.960 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(C(=O)c3ccsc3)C[C@H]1C2 306135286 OMMRLKMMDONGTE-HUUCEWRRSA-N 393.472 2.536 0 40 GFAB C[C@H](CCNC(=O)c1nc2ncccn2n1)n1nc(C(F)(F)F)cc1C1CC1 36618820 SSETWRUWRPOUPU-SNVBAGLBSA-N 393.373 2.598 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)NCc3coc4ccccc34)[C@H](C)C2)n[nH]1 520345153 HGPAQVZEUPJGQZ-CQSZACIVSA-N 381.436 2.520 0 40 GFAB COCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc(C)c1C 32893869 GHOHEGUUGYAMJC-UHFFFAOYSA-N 379.482 2.894 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)NC[C@](O)(c1ccccc1)C(F)(F)F 70762658 JFAAEOBUXWBMKI-HNNXBMFYSA-N 377.359 2.695 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 30608045 JXADCVXYMCHDJJ-UHFFFAOYSA-N 393.476 2.771 0 40 GFAB O=C1N=C(O)/C(=C/c2ccccc2N2CCOCC2)C(=O)N1Cc1ccco1 34713692 JJRQHHXDRGYPQG-VBKFSLOCSA-N 381.388 2.619 0 40 GFAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 42645603 LAEAIYJSIWOYJH-QPJJXVBHSA-N 391.515 2.994 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1C(=O)N1CCC(C)CC1 225207728 IAWHMPDZWJMAGG-HNNXBMFYSA-N 382.526 2.890 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1 226044172 AVONDCNXXFHBJE-HNNXBMFYSA-N 388.489 2.684 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc21 222801521 MRDZBUNXMYRITP-UHFFFAOYSA-N 393.553 2.530 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(F)cc1 222937933 RIUIJZDKBSCUKE-GOSISDBHSA-N 394.468 2.695 0 40 GFAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225258100 CBTSBENVDUFUJQ-UHFFFAOYSA-N 378.469 2.729 0 40 GFAB Cn1c(C(=O)NCCCN2CCOCC2)cc2c1c1ccccc1n2CC1CC1 96037424 XKJORJRJARHMMU-UHFFFAOYSA-N 394.519 2.995 0 40 GFAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cn1 96118347 PSVWJIJGESQLBP-ZDUSSCGKSA-N 392.337 2.570 0 40 GFAB CCN(CC)C(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96242358 DGHZBCROZJBITL-INIZCTEOSA-N 378.538 2.726 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229769 FIRCNUMGFTTXGC-KYFSNAEOSA-N 398.846 2.722 0 40 GFAB CC(=O)N1[C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)[C@@H]3CCC[C@H]1[C@]3(C)C2 257332015 XVJNJALOACCQLC-YHXHNGJMSA-N 382.464 2.844 0 40 GFAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc1C 257343795 ZULRUFYEOZQQKT-KRWDZBQOSA-N 398.482 2.931 0 40 GFAB COc1ccccc1CC(=O)N1CCC(c2nccnc2-c2cncn2C)CC1 257285625 PIALUPQLMHAFRK-UHFFFAOYSA-N 391.475 2.834 0 40 GFAB O=C(O)CCCCCN(C(=S)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 575422833 WPWMIYGTLPJDBZ-OAHLLOKOSA-N 384.523 2.518 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(OCC(F)(F)F)nc1 585100471 XWPODUCSYPRTRY-HIFRSBDPSA-N 399.373 2.716 0 40 GFAB O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1C[C@@H](O)[C@H](n2ccnn2)C1 585123572 DEKRLWRXVXNOHF-HZPDHXFCSA-N 391.859 2.560 0 40 GFAB C[C@@]1(NC(=O)CN(Cc2ccccc2)C2CCCCC2)CCS(=O)(=O)C1 40151480 ZLEMDMDQYHSHFB-HXUWFJFHSA-N 378.538 2.515 0 40 GFAB O=C(c1cncnc1C1CC1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 578434886 HPUSRITVUWTOIZ-UHFFFAOYSA-N 398.414 2.577 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4nccs4)C3)CC2=O)cc1C 585320354 XLSHDMXFFMMGGG-DOTOQJQBSA-N 385.489 2.793 0 40 GFAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc(C(F)(F)F)cc2)nn1 1549161064 JSWRQWTZRPWADG-ZMSDIMECSA-N 398.429 2.513 0 40 GFAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N(Cc3ccccn3)C3CC3)ccc21 12220612 VSFRHQZAQMJLPM-UHFFFAOYSA-N 387.461 2.924 0 40 GFAB CCOc1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 12292372 CBAHOWOWCSFXRP-IBGZPJMESA-N 385.460 2.831 0 40 GFAB NC(=O)C1CCN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 12906215 IYSSPFJJJZNNCG-UHFFFAOYSA-N 382.386 2.885 0 40 GFAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 14404525 HJWZGQMOLCPXIB-UHFFFAOYSA-N 390.403 2.701 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 15471063 NYOHDSIVHRBMKK-KRWDZBQOSA-N 399.472 2.595 0 40 GFAB COc1ccc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1 17029186 DEPWOXWJVKQUQP-UHFFFAOYSA-N 381.432 2.898 0 40 GFAB Cc1cc(-c2cn(C)nc2[C@H]2CCCN2C(=O)Cn2nc(C)c(C)c2C)on1 19121489 RAXPBXOOANSTOZ-QGZVFWFLSA-N 382.468 2.869 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3cccc(C)c3)C2)c2cccnc21 19234945 CRVQSFQOOCHHTA-IBGZPJMESA-N 377.492 2.865 0 40 GFAB S=C(c1cc(Br)ccc1Br)N1CN2CCN(C2)C1 19319812 WBSYJJKMCFZFOC-UHFFFAOYSA-N 391.132 2.693 0 40 GFAB Cc1c(C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)[nH]c2ccccc12 19565828 GJARIJMQDRNSSZ-OAHLLOKOSA-N 388.475 2.809 0 40 GFAB CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1nccc3ccccc13)CC2 19706152 FSLSYYIVWDLYAG-GOSISDBHSA-N 390.491 2.682 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(N(C)C)cc2)nn1C 19709114 XMWLEGUJYINDHZ-NRFANRHFSA-N 383.540 2.844 0 40 GFAB C[C@@H](CN(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O)c1ccccc1 19746396 SSNFUCZNQLEBIN-KRWDZBQOSA-N 395.503 2.783 0 40 GFAB Cc1ncsc1C(=O)N[C@@H]1CCCN(C(=O)COc2ccccc2F)CC1 19749116 XARJKAJPVVLPLZ-CQSZACIVSA-N 391.468 2.781 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(OC)c1O 6326840 LBVBPXNYWFDDSQ-VGOFMYFVSA-N 395.433 2.645 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@@H](c2noc(-c3cnc(C)cn3)n2)C1 12187709 QUGROBGPZSTWHX-CQSZACIVSA-N 379.420 2.863 0 40 GFAB COc1ccccc1C1(O)CCN(CCNC(=O)c2cc(F)cc(F)c2)CC1 12290992 VOXPRRKSQQYIQJ-UHFFFAOYSA-N 390.430 2.687 0 40 GFAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 24987030 DQOKEIQGPHYHEL-INIZCTEOSA-N 388.537 2.990 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)c1 9038543 JDSDKZCSYRTUPW-QGZVFWFLSA-N 390.480 2.770 0 40 GFAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(F)c2)CCCC3)n1 9828796 QZUKUVCUNZFKFA-UHFFFAOYSA-N 395.438 2.702 0 40 GFAB CC(C)Oc1cccc(C(=O)N2CCc3nn4ccc(=NC5CC5)[nH]c4c3C2)c1 2055713631 PKROZEHGVMKKFU-UHFFFAOYSA-N 391.475 2.711 0 40 GFAB O=S(=O)(NC1CCN(c2ncc(Cl)cc2Br)CC1)C1CC1 2086868793 KMSTUMPXLGNLPV-UHFFFAOYSA-N 394.722 2.548 0 40 GFAB CCOC(=O)c1ccc(NC(=O)C2CCN(c3cc4c(nn3)CCC4)CC2)cc1 585150239 HLBBBQQWCGADAE-UHFFFAOYSA-N 394.475 2.997 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](c4ccn(C)n4)C3)cc2)co1 585389670 JDMDKSQCOYLIBG-INIZCTEOSA-N 386.477 2.952 0 40 GFAB CC(C)c1ccc(OCC(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1 618256554 UKWXDOWKWIFBHO-UHFFFAOYSA-N 399.491 2.606 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](OCCO)c2ccsc2)cc1Cl 575621797 USZMRTHLKMNMNR-HNNXBMFYSA-N 382.869 2.515 0 40 GFAB COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2OC(C)=O)c1OC(C)=O 205931651 UQIZPSPGHFDEKN-UHFFFAOYSA-N 386.356 2.846 0 40 GFAB COc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cc2c1 40119593 HFHULSQTUPLRTF-UHFFFAOYSA-N 377.400 2.681 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccnn1[C@H](C)C1CC1)C2=O 7980258 JJXOWZXIXMHFPK-WCGZIJFHSA-N 387.484 2.683 0 40 GFAB Cc1cccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C 36451974 UAMTUBBOJHOSDN-UHFFFAOYSA-N 399.466 2.604 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)c(OC)c1 3394789 ONLONLTZDXPBAO-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccc1Cl 4315680 LACWJCFMBWDNDB-UHFFFAOYSA-N 387.896 2.763 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)c1 4848200 OHWJRVSEIJLBEY-UHFFFAOYSA-N 396.491 2.975 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1C 7086311 OWEZDDHFDNEEOL-LJQANCHMSA-N 384.432 2.591 0 40 GFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4c(C)noc4C)CC3)c2c1 20732641 MGDVJYPEUXGJPV-FQEVSTJZSA-N 398.463 2.725 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCCN1Cc1csc(Nc2ccccc2)n1 51734615 BGEQDPVYGOGPOB-MRXNPFEDSA-N 380.539 2.790 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCCC3)n2)cc1 21360596 GZCCSNVHROYBIG-UHFFFAOYSA-N 384.436 2.579 0 40 GFAB CCN(c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 10009964 CGFPSGAEMQAAJX-OAHLLOKOSA-N 376.478 2.729 0 40 GFAB CCCCN(Cn1ncn(-c2ccccc2F)c1=S)[C@H]1CCS(=O)(=O)C1 32888219 RCLAHOUXOSQICS-AWEZNQCLSA-N 398.529 2.789 0 40 GFAB CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 103133439 DJMBVGNBEFJWOX-NRFANRHFSA-N 379.504 2.617 0 40 GFAB O=C([C@@H](Sc1ncn(-c2ccccc2)n1)c1ccccc1)N1CCOCC1 22239693 YSWMNSHTYFPJIL-SFHVURJKSA-N 380.473 2.960 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1 29961513 PXBDIGKNBQXNCT-LJQANCHMSA-N 392.455 2.631 0 40 GFAB Cc1ccc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1 24924345 CDDQXHFVDABWCS-HSZRJFAPSA-N 391.471 2.999 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCC(=O)N1CCCc2ccccc21 57270928 ZAPCWLQXIDBFLX-INIZCTEOSA-N 389.455 2.597 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(OC)cc3)c3ccccc3n12 57522799 QNFOLJSEDZTISQ-UHFFFAOYSA-N 391.431 2.644 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1F 12487774 XYHHWNPZPKLXRX-UHFFFAOYSA-N 396.509 2.913 0 40 GFAB COc1cc(NC(=O)CCCn2cnc3ccccc3c2=O)cc(OC)c1OC 26966286 FEQWFNSSEVCLNA-UHFFFAOYSA-N 397.431 2.841 0 40 GFAB COc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1 2109582 GOLJWDZKHYPOBG-IVZQSRNASA-N 385.460 2.806 0 40 GFAB biogenic CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc3c(c2)OCO3)C1 58201315 XZBQJRHFUSKNMC-GOEBONIOSA-N 375.469 2.642 0 40 GFAB COc1cc(CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)ccn1 58264541 RUSTXZZSHCADAV-AWEZNQCLSA-N 376.407 2.694 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 12536135 ZOKYZASIGAAOGN-UHFFFAOYSA-N 388.445 2.931 0 40 GFAB CCN(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)Cc1ccccc1 3233891 DZIXNOXMCAQAKS-UHFFFAOYSA-N 378.476 2.945 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cc(Br)cs2)cc1 48356559 JLBLOBJLBWAYAV-UHFFFAOYSA-N 389.296 2.812 0 40 GFAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1 13262332 YVDKMPDHVRTHIP-UHFFFAOYSA-N 390.461 2.976 0 40 GFAB CC(C)c1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1=O 5095308 LUYGWWINNSILMX-UHFFFAOYSA-N 376.463 2.939 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cncc(Br)c2)CC1 5094217 IVFMXYUEFPTONE-UHFFFAOYSA-N 376.254 2.815 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccccc1F)O2 64988560 BLAPHQZNNWFQRI-QGZVFWFLSA-N 378.425 2.690 0 40 GFAB COc1ccc(OC)c(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)c1 5215266 STEDAVDSHYVPQJ-JCBYOESDSA-N 397.481 2.948 0 40 GFAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 5351181 HYFZJDANMGODOD-UHFFFAOYSA-N 397.460 2.863 0 40 GFAB Cc1ccc(-c2nc(CCNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)cc1 65568574 SDPARYHKEAVAFU-HUUCEWRRSA-N 395.550 2.605 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)N2CCSc3ccccc32)C(=O)N1c1ccccc1 14170862 AHJXWXYFALABOC-CQSZACIVSA-N 381.457 2.983 0 40 GFAB Cc1cc(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)c(C)n1C1CC1 5575498 XHPALSGTNIHQLZ-UHFFFAOYSA-N 390.461 2.851 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 6602789 HCSUBUWVPAELMO-OALUTQOASA-N 394.471 2.557 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)cc2NC1=O 14809701 URPDEWBVHRASDI-SECBINFHSA-N 381.310 2.994 0 40 GFAB Cc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@H]2CCS(=O)(=O)C2)o1 6810313 AIQKWBXJAPZCNM-KRWDZBQOSA-N 391.489 2.800 0 40 GFAB COc1ccc(OCCCN2C(=O)[C@@](O)(CC(C)=O)c3cc(C)ccc32)cc1 4987942 LJULNTYFTKHBSY-JOCHJYFZSA-N 383.444 2.986 0 40 GFAB O=C(CNC(=O)c1cccs1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 6993902 KWVMSPDMFVNOHW-UHFFFAOYSA-N 387.442 2.969 0 40 GFAB Cc1ccc(C(=O)N[C@H](C)CCC(C)C)cc1S(=O)(=O)N1CCOCC1 6934350 SHXDFOIWLXUOSX-MRXNPFEDSA-N 382.526 2.570 0 40 GFAB CCc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 67336754 BHQBUMVXYXLYJH-UHFFFAOYSA-N 396.422 2.944 0 40 GFAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCc1ccccc1OC(F)F 7814003 YKRQHWZOLLIOMV-UHFFFAOYSA-N 392.189 2.510 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(Cl)c1 9255042 ANLVZWIMKXRXTK-UHFFFAOYSA-N 397.884 2.650 0 40 GFAB Cc1cccc(C(=O)N2CCCN(C(=O)N[C@@H]3COc4ccccc43)CC2)c1 84210135 CMENOGRKVJSENQ-LJQANCHMSA-N 379.460 2.986 0 40 GFAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 95349760 HMAOSAKWFKAAGI-WBAXXEDZSA-N 387.480 2.647 0 40 GFAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N(CC(F)(F)F)C1CC1 95369546 UEUKIKGSBVNPPA-GOSISDBHSA-N 395.381 2.539 0 40 GFAB Nc1cnc(Br)cc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 95466520 LAXAVNSTRIGJMF-OAHLLOKOSA-N 390.237 2.603 0 40 GFAB COC(=O)c1cscc1NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 95455629 UCEFEIGHVJOTCP-UHFFFAOYSA-N 375.811 2.687 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 20459655 PJIXQZZKAJVXTE-CQSZACIVSA-N 376.478 2.972 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 95999571 XTEMWTZZTOBLLB-INIZCTEOSA-N 392.463 2.836 0 40 GFAB CCSc1ccc(Cl)cc1NC(=O)N(CCO)CCN1CCOCC1 79068006 OIUAKXOSSATJEL-UHFFFAOYSA-N 387.933 2.610 0 40 GFAB O=C(NCCCn1ccnc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 28201879 UMXBDLUGSMYFJN-UHFFFAOYSA-N 384.461 2.504 0 40 GFAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 306126693 FCFYKIDQXNKCNR-UHFFFAOYSA-N 396.539 2.678 0 40 GFAB Cc1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c(F)c1 32842966 ACSOXOLSGPYSRN-KRWDZBQOSA-N 389.452 2.836 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700156 LXFHKPJLFQKEMP-HXUWFJFHSA-N 388.533 2.964 0 40 GFAB CN(C)CCNS(=O)(=O)c1cccc(NCc2cc(-c3ccccc3)n[nH]2)c1 512657685 HDGGPSJRXRGKQT-UHFFFAOYSA-N 399.520 2.529 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1 408550499 CWSGKVSOVFOSAW-LSDHHAIUSA-N 376.478 2.548 0 40 GFAB O=C(c1ccc2n[nH]cc2c1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 530590976 MRMPAHSJKULJAI-UHFFFAOYSA-N 386.814 2.954 0 40 GFAB COC(=O)C[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 216598387 NFQOYGSKVUFULD-GLHSZLCASA-N 392.455 2.767 0 40 GFAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CCNC2 72376554 QEKNVFYPIUHHCW-SFHVURJKSA-N 383.471 2.599 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 40389108 LONIVXUGOWXYRZ-KBPBESRZSA-N 395.463 2.522 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)Sc1nc2nc(C)c(C)c(C)n2n1 40119209 XOCUOIFZXVOUHG-AWEZNQCLSA-N 385.493 2.855 0 40 GFAB COCc1nn2c(ncc3c(=O)n([C@H](C)C(=O)O)ccc32)c1-c1ccccc1 40396448 DBFNISDZKCWZLJ-GFCCVEGCSA-N 378.388 2.503 0 40 GFAB Cc1ccc(OCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222500824 NODDRSHIOYDWII-UHFFFAOYSA-N 396.896 2.853 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 222685476 RSOPWPNKCKQKSZ-CYBMUJFWSA-N 392.477 2.591 0 40 GFAB CCS(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c1ccc2c(c1)OCO2 224159714 WKIKKOWMZBIKFQ-UHFFFAOYSA-N 398.525 2.902 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 222858378 PXQWUIUNPJVPOJ-CQSZACIVSA-N 390.867 2.891 0 40 GFAB CSc1nnc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)s1 224289546 MSFXRWNZSQBAQZ-UHFFFAOYSA-N 392.915 2.562 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 223779690 AVLMVISWBHRBFG-UHFFFAOYSA-N 389.433 2.575 0 40 GFAB O=C(Nc1cccc(OC(F)F)c1)[C@H]1COCC(=O)N1Cc1cccs1 90608543 UKIOCGRTSZZBKR-CQSZACIVSA-N 382.388 2.716 0 40 GFAB Cc1cc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(C)o1 96237920 BOXXDZRHBFIJDY-OAQYLSRUSA-N 385.439 2.599 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)C3CCOCC3)C2)ncn1 257221307 DOKKGXGDPPDYDX-MRXNPFEDSA-N 384.480 2.956 0 40 GFAB CN(CC(=O)O)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCO1 263468393 GXLFPQPEOVJDMH-GOSISDBHSA-N 395.459 2.507 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NCc2cnc(C(F)(F)F)nc2)cn1 665504924 DBLAHXDUTYGKBD-KGLIPLIRSA-N 398.389 2.602 0 40 GFAB O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCOCC2(CCCC2)C1 681282947 JEZSBAGGXRKPMZ-UHFFFAOYSA-N 379.457 2.593 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c1F 390829005 VUPRKIHBBUPZPQ-LLVKDONJSA-N 384.333 2.885 0 40 GFAB CC[C@H](NS(=O)(=O)c1cccc(C)c1)c1ccccc1OCC(=O)NC 56115017 XWUUONQZEHNGGI-KRWDZBQOSA-N 376.478 2.549 0 40 GFAB Cc1cncc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615160873 RMUBWVRQIKVJCI-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccn(C)n4)CC3)nc12 11027468 BAJLOPYGWXVTNO-UHFFFAOYSA-N 375.885 2.954 0 40 GFAB Cc1sc2nc(C)n3c(=O)n(CC(=O)N(C(C)C)C(C)C)nc3c2c1C 12144882 HLAUSGGCIHXBDU-UHFFFAOYSA-N 375.498 2.676 0 40 GFAB COCc1c(C(=O)OCC(=O)NC[C@H]2CCCO2)sc2cccc(F)c12 17937343 XSONHKCKJHHKBC-LLVKDONJSA-N 381.425 2.639 0 40 GFAB Cn1nc(C2CC2)cc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 19288835 NWDIQDVIHJUZFN-UHFFFAOYSA-N 388.899 2.788 0 40 GFAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 19576040 XHCALFYQEZPZDG-DFQSSKMNSA-N 376.504 2.724 0 40 GFAB O=C(O)c1cccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)c1 101274993 GKFPPSPLCXLPCV-AWEZNQCLSA-N 389.205 2.891 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 12187603 FGCDEQVROSDCTM-ZDUSSCGKSA-N 395.419 2.564 0 40 GFAB Cc1cc(CNC(=O)c2cnc(N3CCOCC3)nc2)c2[nH]c(C)c(C)c2c1 12203553 MAONPSITOYXPKA-UHFFFAOYSA-N 379.464 2.650 0 40 GFAB COc1cc(CN2CCC(c3noc(-c4cnccn4)n3)CC2)cc(OC)c1 12327641 UMXWAJWZSVVDPC-UHFFFAOYSA-N 381.436 2.923 0 40 GFAB COc1ccc(CN2CCc3nc4ccc(F)cc4c(=O)n3CC2)cc1OC 19561180 FMFADVNGDSXBMR-UHFFFAOYSA-N 383.423 2.611 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(F)c(F)c1 3600668 GUXYARYZLIYGKZ-FQEVSTJZSA-N 385.370 2.687 0 40 GFAB O=C([C@@H]1COc2ccccc2C1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888876437 MFQFWKUULSSWEG-YJBOKZPZSA-N 379.460 2.833 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888878930 BXUSFMZHXQGMSC-QVKFZJNVSA-N 379.460 2.895 0 40 GFAB COC(=O)c1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 26209781 WNAJVLWEJPVOPF-OAHLLOKOSA-N 395.459 2.669 0 40 GFAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 28320389 AOTDGCROALCXQE-SFHVURJKSA-N 391.431 2.801 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCc1nc2ccccc2[nH]1 2199243 LNMLKLAYPPGQNQ-UHFFFAOYSA-N 391.258 2.958 0 40 GFAB CCOC(=O)CSc1nnc(NC(=O)Nc2ccc(OC)c(OC)c2)s1 9324833 DXIJOVYTIUUIHP-UHFFFAOYSA-N 398.466 2.855 0 40 GFAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1ccc(C(F)(F)F)cc1 11743592 NQEOROPEDKSLOT-UHFFFAOYSA-N 388.349 2.754 0 40 GFAB CN1CCN([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccsc2)CC1 22767003 CRAIQKNCWIRPGY-MRXNPFEDSA-N 388.493 2.587 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c1 19079287 RLWPNOPZVHVDIG-FOIQADDNSA-N 396.491 2.652 0 40 GFAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)c1nnnn1-c1ccccc1 40127192 VFJHOAQAFMBTFA-ZDUSSCGKSA-N 394.464 2.808 0 40 GFAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40104975 ZODVNZUNKYUVSF-LJQANCHMSA-N 387.480 2.863 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1 686679 PYSPIFYCEFPQIN-UHFFFAOYSA-N 396.516 2.866 0 40 GFAB CCOc1ccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC 2207915 ZTROBHRZBYQYLP-GZTJUZNOSA-N 397.431 2.912 0 40 GFAB O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCCC1 2976048 VOASJRIZBLAKMB-UHFFFAOYSA-N 388.537 2.772 0 40 GFAB CC(=O)Oc1ccccc1C1=NC2=S(O1)OC(c1ccccc1OC(C)=O)=N2 3844444 VTPPUJJBXUGQQA-UHFFFAOYSA-N 398.396 2.977 0 40 GFAB biogenic CC(C)Oc1cc(NC(=O)C[S@](=O)CC(=O)N(C)C)c(Cl)cc1Cl 4013191 OKKZYHAZNKRZLV-XMMPIXPASA-N 395.308 2.556 0 40 GFAB COc1ccc(N2C(=O)N(c3ccc(C)c(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4387454 BJULYDNDKLHPJE-MOPGFXCFSA-N 386.473 2.924 0 40 GFAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccc(C(F)(F)F)cc1 4499750 XGWRTHBRWTVURP-UHFFFAOYSA-N 380.351 2.839 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(CC)n1-n1cccc1 4518516 VAOBCEGGWQHSBP-UHFFFAOYSA-N 399.476 2.861 0 40 GFAB Cc1cccc(Cn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 5251879 ZKHVFMUZUWGVDH-UHFFFAOYSA-N 399.454 2.710 0 40 GFAB CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5632996 UTMDJURWSATBQT-LBPRGKRZSA-N 376.240 2.730 0 40 GFAB CCCCNc1ccccc1C(=O)OCC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 5898613 ILEFBXYLUAVQSM-CYBMUJFWSA-N 389.452 2.574 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 5966179 ZMKZHLLFSAWMQY-HXUWFJFHSA-N 394.471 2.770 0 40 GFAB CCN(CC)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146336 ORDVJUMGWWJQAE-UHFFFAOYSA-N 393.484 2.698 0 40 GFAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)cs1 6681782 QQSFQGFKUAMMMF-CYBMUJFWSA-N 380.491 2.766 0 40 GFAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccs1 6864860 RHSCBLHUFBJOAZ-AWEZNQCLSA-N 384.486 2.513 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 7056856 HFBNIYJSTFOWEX-OAHLLOKOSA-N 385.464 2.980 0 40 GFAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 7131325 KBIAJHVQAOETSZ-BFUOFWGJSA-N 379.407 2.523 0 40 GFAB COc1ccccc1CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 7475599 FILSJXCXLRMCHG-UHFFFAOYSA-N 397.500 2.704 0 40 GFAB CCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Br)o1 8722843 XRRSXHAYHGSKHR-UHFFFAOYSA-N 396.266 2.919 0 40 GFAB COc1ccc(CCNC(=S)c2ccc(OCC(=O)O)c(OC)c2)cc1 9024579 CPRDXVPJBTTWFV-UHFFFAOYSA-N 375.446 2.675 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCc2ccccc2)cc1 9095353 GETPCDIMPMUWOU-HXUWFJFHSA-N 386.517 2.897 0 40 GFAB O=C(NCCCN1CCCC1=O)c1ccc(OCc2cn3ccccc3n2)cc1 9378377 QNCMQTOKYXPGHR-UHFFFAOYSA-N 392.459 2.656 0 40 GFAB C[C@@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)ccc2O1 10298702 OYKFMVLLDRMQPG-FFCYNSPCSA-N 393.355 2.585 0 40 GFAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CCS(=O)(=O)C3)c2cc1C(C)C 10993939 TVWVHUQGGRRRQP-ZDUSSCGKSA-N 378.446 2.703 0 40 GFAB Cc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1F 11200392 JCPWPRSUPGOIGQ-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)on1 12118500 KPHOJBBZTDDYMJ-HNNXBMFYSA-N 396.451 2.863 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)c(C(=O)OC)s2)c1 12526095 HYHHCJSMCPBDSK-UHFFFAOYSA-N 383.447 2.739 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 12544822 LAJMUNQVRMKYFR-ZDUSSCGKSA-N 392.477 2.875 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(=O)n(Cc2ccccc2)n1 12815951 TYHOLKNNLIBQQE-UHFFFAOYSA-N 377.400 2.705 0 40 GFAB C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-n2cncn2)cc1 12817361 ZFATZOOEZIAVMX-FZKQIMNGSA-N 393.472 2.948 0 40 GFAB Cc1cc(C)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(Cl)c1 12897626 HZCACQPGJGUDBF-UHFFFAOYSA-N 397.862 2.967 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)s1 12924099 BYLMJPHAXZQPJV-KRWDZBQOSA-N 392.546 2.816 0 40 GFAB COC(=O)c1cc(NC(=S)Nc2ccc3c(c2)OCO3)cc(C(=O)OC)c1 13798321 ORIAGSRUIHDPFO-UHFFFAOYSA-N 388.401 2.797 0 40 GFAB Cc1nc(-c2cccs2)c(CC(=O)N2CCN(c3ncccn3)CC2)s1 15840122 NNEVXDIURIUYLV-UHFFFAOYSA-N 385.518 2.861 0 40 GFAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(C)o4)c(=O)n3n2)cc1OC 16750141 SYKPPRTXLZLDQA-GIBFOZDASA-N 395.440 2.788 0 40 GFAB COc1ccccc1CN1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 19017129 MDODELSHNBWIOQ-SFHVURJKSA-N 380.492 2.769 0 40 GFAB Cc1cccn2c(=O)c(C(=O)NC[C@H](c3cccc(Cl)c3)N(C)C)cnc12 19663170 YMSFDXWBFVWRBP-QGZVFWFLSA-N 384.867 2.689 0 40 GFAB CCCN1C(=O)CCc2c(C)nc(C3CCN(Cc4ccnn4C)CC3)nc21 19739359 CGIDNDFRESRNLW-UHFFFAOYSA-N 382.512 2.587 0 40 GFAB Cn1nc2c(c1C(=O)N1CCCC[C@@H]1CCNC(=O)C1CCCC1)CCCC2 19746251 ONKBJJRBAKZBHO-QGZVFWFLSA-N 386.540 2.990 0 40 GFAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 20105642 BDPYAAFNWLNOJI-GOSISDBHSA-N 382.526 2.547 0 40 GFAB O=C(Nc1ccc(Br)cc1)c1nnn2c1nc(O)c1ccccc12 20744884 YCGHKEOSGPODAE-UHFFFAOYSA-N 384.193 2.998 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1 20799953 HRMMJTNUDGCJGZ-CQSZACIVSA-N 394.479 2.730 0 40 GFAB Cc1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O 21023540 JTYDNDUESAKWBI-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB COc1cccc(NC(=O)COc2ccc(C(=O)Nc3nncs3)cc2)c1 21214179 QNWNUPXRTYLWSX-UHFFFAOYSA-N 384.417 2.817 0 40 GFAB COc1cccc(C(N)=O)c1OCC(=O)c1cc(C)n(-c2nccs2)c1C 22320198 UEFAEMIDFVEVAG-UHFFFAOYSA-N 385.445 2.920 0 40 GFAB Cc1ccc([C@@H](CNC(=O)C[C@@H](C)n2nc(C)cc2C)N2CCN(C)CC2)cc1 22888226 RDAZQZRCLWKNEX-IFMALSPDSA-N 397.567 2.864 0 40 GFAB CC(=O)N[C@H](CC(=O)NC1(c2noc(C)n2)CCCCC1)c1cccs1 23508644 SNKBKMNMOMZDLP-CQSZACIVSA-N 376.482 2.983 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccc(F)cc2)C1 25054578 SYTKWDGZJYJPEG-IFXJQAMLSA-N 388.464 2.886 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(C)c3)CC2)CC1=O 25155007 CISUHJSLWZCBMM-GOSISDBHSA-N 393.487 2.705 0 40 GFAB Cc1ccc2nc(COC(=O)c3ccccc3OC[C@H]3CCCO3)cc(=O)n2c1 26236170 FKAJUZUEBJTVPU-QGZVFWFLSA-N 394.427 2.918 0 40 GFAB COc1cccc(C(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c1 27525619 WVYCHYLCCQFTNX-UHFFFAOYSA-N 390.490 2.827 0 40 GFAB CN1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 30029308 KQCVVDCJVQHHSV-IBGZPJMESA-N 385.895 2.975 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32103471 HNCRHPIVDKTSPK-HNNXBMFYSA-N 395.850 2.971 0 40 GFAB NC(=O)N[C@H](CC(=O)NCc1ccccc1)c1ccc(Br)cc1 32796268 SCAXBFZPJBQXOZ-OAHLLOKOSA-N 376.254 2.865 0 40 GFAB CC(=O)c1ccccc1OCC[S@@](=O)CC(=O)N1c2ccccc2C[C@@H]1C 32800947 KTUNSHUKGWUZIS-QZXCRCNTSA-N 385.485 2.995 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)s1 32898938 STCUPNAYSTXBRZ-UHFFFAOYSA-N 386.473 2.613 0 40 GFAB CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)cc1 35288814 YYWUAACGEBKZHZ-UHFFFAOYSA-N 388.478 2.669 0 40 GFAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccncc3)n2)c1 35425101 LLZFTMNAMJAJSW-SFHVURJKSA-N 381.436 2.889 0 40 GFAB biogenic,in-vitro COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36369872 UIHZNKCIYBMOKO-UHFFFAOYSA-N 397.479 2.932 0 40 GFAB biogenic CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc1 40070909 VMABYBREVMLVTF-UHFFFAOYSA-N 388.420 2.924 0 40 GFAB Cc1ccccc1CN1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 42127365 MCXNJPVAGHVUOJ-UHFFFAOYSA-N 386.517 2.793 0 40 GFAB CNC(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc3c(c2)OCO3)c1 48504798 ZIMPVYZEHGBIOM-UHFFFAOYSA-N 375.812 2.793 0 40 GFAB COc1cc(=O)c(C(=O)Nc2cccc(NC(C)=O)c2)nn1-c1cccc(F)c1 49407644 JELOWKWAGSSRIB-UHFFFAOYSA-N 396.378 2.591 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(C)cc1 51318313 PYSBHIJBKSJSBR-NRFANRHFSA-N 391.471 2.834 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 57427255 SCFXLMSSKKLYKK-UHFFFAOYSA-N 399.472 2.866 0 40 GFAB COc1cccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1 57750835 WWSKPWNVXNIOTO-UHFFFAOYSA-N 379.460 2.504 0 40 GFAB CS(=O)(=O)c1ccc(NCc2cc3ccccc3[nH]2)c(S(C)(=O)=O)c1 58423523 HHXNBVVWPCBTMZ-UHFFFAOYSA-N 378.475 2.587 0 40 GFAB O=C(C[C@@H]1Sc2cc(C(=O)O)ccc2NC1=O)Nc1cccc(C(=O)O)c1 61718334 BAWAPIDRRRLBTO-AWEZNQCLSA-N 386.385 2.525 0 40 GFAB COC(=O)c1c(NC(=O)c2nccnc2C(=O)O)sc2c1CCCCC2 61721338 NPEGWAVRLAWSLJ-UHFFFAOYSA-N 375.406 2.544 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022676 UMLMMROFHRKIKH-INIZCTEOSA-N 388.475 2.857 0 40 GFAB CC(C)n1cc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)cn1 66387993 GYJMHDRZWBRMJP-OAQYLSRUSA-N 395.463 2.792 0 40 GFAB CC1CCN(C(=O)/C(=C/N(C)C)S(=O)(=O)c2ccc(Cl)cc2F)CC1 67172838 AESVDMUJFBLEML-WJDWOHSUSA-N 388.892 2.914 0 40 GFAB Cc1cc2nc(SCC(=O)NC3CCCC3)n(Cc3ccco3)c(=O)c2[nH]1 67236272 AWHFTLRFAYSEAI-UHFFFAOYSA-N 386.477 2.825 0 40 GFAB CCN(C(=O)COC(=O)Cc1csc(N2CCCC2=O)n1)C1CCCCC1 69967074 OJGPVXSHXBTIQQ-UHFFFAOYSA-N 393.509 2.537 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)Nc1ccc(F)cc1 71195218 WBJUKCLQUWMPGV-INIZCTEOSA-N 379.457 2.570 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)N[C@@H]4CCCC[C@H]4C)ccc3c(=O)n2CC1 72341195 BQJHXMXWGROEFC-VQIMIIECSA-N 396.535 2.972 0 40 GFAB CC(C)Oc1ccc(CNC(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)cc1 77197181 HESXLUWOGZGONU-HXUWFJFHSA-N 380.448 2.729 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1COc2ccccc2O1 79440124 ZQYJWWYDVQSJDU-RHSMWYFYSA-N 376.453 2.732 0 40 GFAB Cc1ccnn1-c1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 84250997 NWUAOFXHHADCNQ-LNLFQRSKSA-N 399.520 2.845 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@H]2CCCN2c2ncnc3ccccc23)c1C 89702206 MLPOUOFKGUEKSH-LJQANCHMSA-N 391.475 2.935 0 40 GFAB O=C(O)C1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 95969435 LRKRYXZHXHDLHE-UHFFFAOYSA-N 393.443 2.939 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)cc1OC 96232001 FHADZGAXSXSSKO-UHFFFAOYSA-N 395.463 2.911 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1cc(F)cc(F)c1)C2 96238141 ZXSWBQKUTIKQOL-LJQANCHMSA-N 391.443 2.590 0 40 GFAB C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 96402236 RNYHQBNYJKNZKU-OAHLLOKOSA-N 396.443 2.841 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C)cc2)sc2cc3c(cc21)OCO3 101035417 NJDRCVOVVVWBFL-VXPUYCOJSA-N 384.413 2.654 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 103969771 YEJSNMFEAPICLZ-OKILXGFUSA-N 385.489 2.820 0 40 GFAB CC[C@H](C(=O)N1CCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220651794 LOYJDFVHQOXHHZ-GOSISDBHSA-N 388.489 2.829 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222422135 UTQNRHCWSIRLTQ-OAHLLOKOSA-N 376.478 2.588 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223125846 YFUCJLNQRNDKGZ-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c2cccnc12 223372314 OLJAOEZBKQEXSD-UHFFFAOYSA-N 376.365 2.882 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1F 224625901 AGAMYZJXABAVEF-LJQANCHMSA-N 390.480 2.781 0 40 GFAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224826090 RKUKJWLIRWSTFW-UHFFFAOYSA-N 391.445 2.850 0 40 GFAB CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224902941 FKUYNJWYQABNLJ-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225278404 ZVLSTRCBPUVZAW-MJGOQNOKSA-N 384.451 2.994 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2nnc(SC(C)C)s2)cc1 225582705 DFLKGVYDPBDFPN-UHFFFAOYSA-N 387.508 2.767 0 40 GFAB S=C(Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1)NC1CC1 226003228 FTYYXSTYQBONBA-UHFFFAOYSA-N 387.538 2.857 0 40 GFAB COC1(CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CCSCC1 239846242 KZUGLAIQQHKRBS-UHFFFAOYSA-N 382.507 2.841 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 248048305 AKSMCYXVBDZJRK-QBAQHBBDSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cncnc3C)CCO2)n1 257299121 ROVCMTVEWRITAV-IBGZPJMESA-N 393.447 2.920 0 40 GFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 408602834 JHCWAHIAFNQBHL-ZDUSSCGKSA-N 380.441 2.918 0 40 GFAB Cc1cc(C)cc(CN2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)c1 566361876 OCACAAQTVCFJOW-UHFFFAOYSA-N 394.518 2.570 0 40 GFAB COc1cccc(-c2nc(=NC(=O)NC[C@@H]3Cc4ccccc4CO3)s[nH]2)c1 626485012 AKILCASRJXSXEP-KRWDZBQOSA-N 396.472 2.899 0 40 GFAB CN1CCN(S(=O)(=O)c2cccc(-c3cccc(-c4ncc[nH]4)c3)c2)CC1 649438063 RYMJUGJQBBNMRW-UHFFFAOYSA-N 382.489 2.680 0 40 GFAB CCc1nnc2n1C[C@H](NC(=O)c1ccc(Oc3cccc(F)c3)cn1)CC2 654929170 WWFKFEXGKKYVNA-CQSZACIVSA-N 381.411 2.912 0 40 GFAB O=C(NCc1ncnn1-c1ccccc1)NC[C@@H]1C[C@H](c2ccccc2)CO1 661075980 PEZRIGSWJCKRTC-HKUYNNGSSA-N 377.448 2.639 0 40 GFAB CCN1CCN(c2ccccc2NC(=O)NCc2cccc(C(=O)O)c2)CC1 669493966 ZZLHLEMGDPWGFE-UHFFFAOYSA-N 382.464 2.848 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3[C@H]4CC[C@H]3CC(n3cncn3)C4)c2O1 827886977 DTLJUNSBXAJMTJ-HOTGVXAUSA-N 382.464 2.765 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1556945941 CUURSLWPVCUWKE-IRWQIABSSA-N 397.393 2.992 0 40 GFAB Cn1cnc2c1CCN(C(=O)c1csc(C(F)(F)F)n1)C21CCOCC1 1615589902 MLIDBOMNLQYSAP-UHFFFAOYSA-N 386.399 2.600 0 40 GFAB COc1cccc(NC(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)c1OC 1888976949 QALRDOZEPJMAHV-QGZVFWFLSA-N 382.420 2.745 0 40 GFAB COC(=O)[C@]1(CC2CC2)C[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C)nc1 2056223236 REVLYDAJILGTOP-UGKGYDQZSA-N 385.508 2.802 0 40 GFAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 1325018 IGZOGSDMBGUJEZ-UHFFFAOYSA-N 396.468 2.957 0 40 GFAB Cc1cccc(NC(=O)COc2ccc([C@H]3CC(=O)Nc4ncnn43)cc2)c1 6207166 QZWHCYRKRUXLDX-QGZVFWFLSA-N 377.404 2.536 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)N1CCCCC1 7604481 SSDDCZUYGOEDIR-UHFFFAOYSA-N 382.526 2.715 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)c1 57490036 KQZRICQFZGVJFX-HNNXBMFYSA-N 397.500 2.923 0 40 GFAB COc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2cccc3nccnc23)C1 35684066 DEDFRROSCLXVPV-QGZVFWFLSA-N 382.445 2.749 0 40 GFAB COc1cc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)ccn1 44465171 HLJUAQOOLDSGBU-UHFFFAOYSA-N 396.468 2.994 0 40 GFAB CC(=O)Oc1cccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)c1 27021816 SLRTUAPBPQUQOL-JAVCTNCCSA-N 389.436 2.794 0 40 GFAB Cc1nc2[nH]cc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)c(=O)n2n1 100770991 YMKNWOFSSKMXDF-JTQLQIEISA-N 386.481 2.586 0 40 GFAB CCN(CC)C(=O)CCCN1C(=O)[C@H](n2cnnn2)[C@H]1c1ccc(C(C)C)cc1 58154989 NKOFFZUYMFRAPE-WOJBJXKFSA-N 398.511 2.570 0 40 GFAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2)C1 58223416 JCZSODQQLGZFEH-AWEZNQCLSA-N 376.844 2.876 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccccc1F 12648065 LYYXAKNGGRYGTL-ODXCJYRJSA-N 387.386 2.609 0 40 GFAB C=CC[C@@H]1N(c2ccc(Br)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 101776114 FSANEYMMOLSSOZ-ZFHCCXERSA-N 390.233 2.765 0 40 GFAB COCCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 36625354 JHLLTEKGXFVNSN-AWEZNQCLSA-N 376.453 2.915 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)cc1F 11666366 DFVXMKAWAQHJRB-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB CC(C)c1csc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 29775855 BJGMWFVAYBSYQY-LJQANCHMSA-N 384.461 2.599 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1F 107233306 JBQATZFCYDKNRE-QFBILLFUSA-N 389.452 2.569 0 40 GFAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)Nc1nccs1 12407892 GPTHCAYISOBSOU-UHFFFAOYSA-N 383.458 2.912 0 40 GFAB CCOc1ccc(/C=C/C(=O)Nc2nc(CC(=O)OC)cs2)cc1OC 56135745 SQABPZZALHTCQM-SOFGYWHQSA-N 376.434 2.918 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl 3346943 ISMJQLMRRDJLRP-UHFFFAOYSA-N 378.759 2.918 0 40 GFAB c1cnc(N2CCN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2)nc1 12789565 OOBINPVXJCSXHJ-UHFFFAOYSA-N 382.493 2.789 0 40 GFAB COc1cc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)ccc1OC(F)F 12776309 UIEVSAWZLBIYMO-UHFFFAOYSA-N 378.331 2.558 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 12745834 RIGJXBCLHFXTRO-CQSZACIVSA-N 384.307 2.526 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 12879803 CBPFSODXKQNKCE-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB NC(=O)c1ccsc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 3404601 BGGBQONUITZYLA-HNNXBMFYSA-N 395.440 2.646 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)OCCO3)cc1 12997710 HKQXPQDWWYMONT-UHFFFAOYSA-N 382.460 2.802 0 40 GFAB NC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 408749360 GCURYRFORSZNNA-WDEREUQCSA-N 393.490 2.703 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1OC 6078804 AKMFPDICZIQFAP-AWEZNQCLSA-N 397.431 2.808 0 40 GFAB O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 6125343 KAPIVDBCGHZANZ-UHFFFAOYSA-N 395.503 2.931 0 40 GFAB CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC[C@H]4CCCO4)c3)c2)n1 65251002 CUTJQKIUSXBSAN-CQSZACIVSA-N 396.451 2.524 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)c2ccco2)CC1 14125790 WAEXLXKTRFOHID-UHFFFAOYSA-N 383.448 2.504 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(NC(C)=O)c3)CC2)c1 14118846 WJSWHOUFPMEPMW-UHFFFAOYSA-N 397.475 2.620 0 40 GFAB CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C(=O)NC(C)C 5473531 QOIQZYGDBSSSQD-MELADBBJSA-N 386.370 2.594 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CNC(C)(C)C)cc1 14235901 BEABJIHQXNABRM-UHFFFAOYSA-N 381.542 2.966 0 40 GFAB COc1cc(C[C@@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H]2CO)ccc1O 14435707 CRMXIJILTLLGMR-PZPWOCDFSA-N 390.432 2.662 0 40 GFAB biogenic COc1ccc(NC(=O)[C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(F)cc1 6623296 UFANQGSQIXKWET-QGZVFWFLSA-N 394.424 2.753 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccc(F)c1 5676141 PXVLCIOJXJNLBH-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(=O)n(CC(N)=O)cnc3c12 9547286 HMDARKHZDRMVMB-UHFFFAOYSA-N 385.836 2.515 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)NC2CCCCCC2)cc1 9503155 GLTKGLGFISJWND-UHFFFAOYSA-N 378.538 2.926 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3c(=O)n2C)c(C)c1 4937130 IRTYMZSISDEVAZ-UHFFFAOYSA-N 396.472 2.991 0 40 GFAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cncc(Br)c1 6916148 CTFGNTLUZDTEAR-SNVBAGLBSA-N 381.230 2.806 0 40 GFAB COc1ccc(OC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1 5936093 QLMHHRXKEOFDTR-UHFFFAOYSA-N 391.855 2.866 0 40 GFAB COc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc(OC)c1OC 16277353 JLFSPNWNXKBKNP-UHFFFAOYSA-N 388.351 2.551 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1)OCO2 8395793 OESSSGUYGLTSDI-UHFFFAOYSA-N 393.392 2.560 0 40 GFAB Cc1csc(NC(=O)C2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)n1 69949182 RIJKUSLUVRKTNK-UHFFFAOYSA-N 396.472 2.784 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(ccc3ccccc32)s1 8704983 IUSYEWRYSPSLOI-CYBMUJFWSA-N 375.475 2.812 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3nc(C)cc(C)n3)CC2)c1C 95971507 XZBVUZVTWKTNPN-MRXNPFEDSA-N 383.496 2.634 0 40 GFAB COc1ccc(C2=NN(C(=O)Cn3ccccc3=O)[C@@H](c3ccco3)C2)cc1 19296384 GHXYFOVMXXMOIW-GOSISDBHSA-N 377.400 2.828 0 40 GFAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccnc(OC3CCC3)c2)c1 89319607 SWPMRZFWDKNJJZ-UHFFFAOYSA-N 393.440 2.655 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 20455482 KGYGDVVUWCTCIF-OAHLLOKOSA-N 376.478 2.502 0 40 GFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1Cl 70636548 NLIVLFCCBZDWAA-MRXNPFEDSA-N 386.757 2.845 0 40 GFAB COc1ccc(CNC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1OC 22235596 UOXQJODEERPTCB-UHFFFAOYSA-N 378.428 2.895 0 40 GFAB Cc1cc(C)n(-c2ccc(CC(=O)N[C@]3(CO)COc4ccccc4C3)cc2)n1 529823990 WMAWAPLZGNSFAG-HSZRJFAPSA-N 391.471 2.514 0 40 GFAB O=C(Cn1nc(N2CCSCC2)ccc1=O)Nc1ccc(Cl)cc1Cl 71279937 IQWFOBASUDJHJC-UHFFFAOYSA-N 399.303 2.742 0 40 GFAB CCCc1nnc(SCC(=O)Nc2nc(C)cs2)n1C[C@@H]1CCCO1 35312418 NRDIBMILXFPTHP-LBPRGKRZSA-N 381.527 2.905 0 40 GFAB COc1cc(C)c(CN2CCC[C@@H]2c2nnc3n2CCN(C(C)=O)C3)c(C)c1C 72373888 AUHRNZACDJDWSP-LJQANCHMSA-N 397.523 2.911 0 40 GFAB COc1ccc(CN2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cc1 72380595 WRXORVSDRDQZJC-FQEVSTJZSA-N 384.480 2.618 0 40 GFAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 224155491 AUYLRCNSEIXWFL-UHFFFAOYSA-N 399.447 2.976 0 40 GFAB Cc1cc(CNC(=O)c2ccccc2C(F)(F)F)nc(N2CCOCC2)n1 224225724 JPDNOFCRKLZDMC-UHFFFAOYSA-N 380.370 2.570 0 40 GFAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1 223398255 KQKLLNXGLBBPLP-ZDUSSCGKSA-N 376.478 2.657 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223257455 HKEPTSGCHUWLBP-PMACEKPBSA-N 392.532 2.801 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CCCN1C(=O)C(C)(C)C 40086976 JWSWHCQRWUJTFK-LJQANCHMSA-N 382.508 2.927 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC(C)C)cc2)cc1 224435493 WEEJAEFTLRLVGF-UHFFFAOYSA-N 376.478 2.654 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 223451319 XTGURYDJUQTBIJ-FQEVSTJZSA-N 384.476 2.800 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)Nc2cc(Br)c(=O)n(C)c2)cc1 1587985386 AGHQVPBHWIPSFD-UHFFFAOYSA-N 376.210 2.525 0 40 GFAB Cc1ccnc(Nc2cc(N3CCN(C(=O)c4ccco4)CC3)nc(C)n2)c1 90607936 ZYLGZMUEZAENCP-UHFFFAOYSA-N 378.436 2.787 0 40 GFAB CNC(=O)[C@H]1CCCc2sc(/C=C/c3cccc(S(C)(=O)=O)c3)nc21 579972413 WJHYISDOMZTJPT-HBWSCVEGSA-N 376.503 2.883 0 40 GFAB Cc1ccccc1N1C[C@]2(CCN(S(=O)(=O)c3cccs3)C2)CC1=O 96238622 RJNDRMNYMQNXIR-GOSISDBHSA-N 376.503 2.874 0 40 GFAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccc4[nH]cnc4c3)CC2=O)cc1OC 96231291 ABQTVMYUWGKBAW-AWEZNQCLSA-N 394.431 2.567 0 40 GFAB O=C(O)COc1ccccc1CN1CCC[C@@H](c2cncc(-c3ncc[nH]3)n2)C1 257285214 PGCWTFFTUVRRQY-OAHLLOKOSA-N 393.447 2.710 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)N(Cc2ccncc2)C2CC2)[C@@H]1c1ccccc1 257215639 CQZBLRMJMRLZGP-IRLDBZIGSA-N 393.487 2.809 0 40 GFAB CC1(CC(F)F)CN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 645360209 VCKYSKXPNQGPHN-INIZCTEOSA-N 379.451 2.907 0 40 GFAB Cc1cc(N(CCO[C@@H]2CC2(F)F)S(C)(=O)=O)ccc1Br 663962089 DVDYXDPTGGNOBB-GFCCVEGCSA-N 384.242 2.948 0 40 GFAB O=C(c1cncc(Br)c1)N1CCC[C@H](COc2ncccn2)C1 1775995206 HVWAKOPEQNAODP-LBPRGKRZSA-N 377.242 2.565 0 40 GFAB CCN(C[C@@H]1CCCO1)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 53440310 LYVJFLMBBIPYDG-AWEZNQCLSA-N 377.466 2.867 0 40 GFAB O=C(COc1cccc(F)c1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615157480 KHFQFDBOAXBBMD-QFIPXVFZSA-N 398.434 2.629 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775973060 GBLAXUVNMQTBJC-UHFFFAOYSA-N 394.475 2.873 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1cc(F)ccc1F 17192042 ILJABDNYLZFYER-UHFFFAOYSA-N 391.399 2.779 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19209094 XWKQYSFFCKQMDI-ORGXJRBJSA-N 396.418 2.516 0 40 GFAB COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1 19285325 OPQGROSCFQTZCH-KRWDZBQOSA-N 398.850 2.849 0 40 GFAB CNc1cc(CNC(=O)Cc2ccc(N(C)C)cc2)nc(-c2cccnc2)n1 19592245 SAOBRIYHDBPEDA-UHFFFAOYSA-N 376.464 2.505 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885681 WMTBKKBQNKWDRP-BZDHPDOMSA-N 396.418 2.516 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)c2ccncc2)C1 13266633 WGSKGOFGACOXAS-AWEZNQCLSA-N 378.407 2.888 0 40 GFAB C[C@@H](NC(=O)C1(C(=O)O)CCC1)c1nc(-c2ccc(Br)cc2)no1 663060839 MWXHEDUCWOGEGU-SECBINFHSA-N 394.225 2.931 0 40 GFAB CC(C)c1ccccc1NC(=O)COC(=O)Cn1nnc(-c2ccccc2)n1 3321416 VTAFJXWCNOIVPP-UHFFFAOYSA-N 379.420 2.645 0 40 GFAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(C)=O)nc1C 10861991 SYMGHCDWTQJRNC-UHFFFAOYSA-N 376.434 2.725 0 40 GFAB Fc1cnc(OC[C@@]23CCC[C@H]2CN(Cc2nnc(C(F)(F)F)o2)C3)nc1 1888866996 SQUJJXVYJVLQCI-BONVTDFDSA-N 387.337 2.699 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)COc3ccc(F)cc3F)ccc21 24886972 LRHFLSVKPOUHSJ-UHFFFAOYSA-N 381.400 2.939 0 40 GFAB NC(=O)CC1(COc2ccccc2)CCN(C(=O)c2cccnc2Cl)CC1 2037905333 HXDGJINADSOSTJ-UHFFFAOYSA-N 387.867 2.912 0 40 GFAB CCCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(-n2nc(C)cc2C)n1 5254820 HIHNUPIQFFXICJ-UHFFFAOYSA-N 383.427 2.776 0 40 GFAB CC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)nc1C 5298756 DKKMLXNOSINDMB-NSHDSACASA-N 399.519 2.507 0 40 GFAB C[C@]1(C(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)CC=CCC1 2055835271 IXPFEMXPBKCYHF-VXKWHMMOSA-N 396.491 2.582 0 40 GFAB O=S(=O)(c1cccc2cccnc12)N1CCc2nc3ncccc3cc2C1 24880554 YYZIUJBLFVTGLG-UHFFFAOYSA-N 376.441 2.925 0 40 GFAB O=C(Cn1nc2c(SCc3ccccc3)nccn2c1=O)NC1CCCCC1 49009255 RWMWQAIBQNNJER-UHFFFAOYSA-N 397.504 2.632 0 40 GFAB CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)c1cc(F)cc(F)c1)CC2 49410055 FEWIDRSAAVNBOQ-UHFFFAOYSA-N 389.377 2.916 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1C 4166197 ATNYKGXDADAEEW-UHFFFAOYSA-N 388.427 2.942 0 40 GFAB COC(=O)C1CCN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22609534 ZFOXQIALCZOELR-CQSZACIVSA-N 390.440 2.610 0 40 GFAB O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1 77184960 SZYTXAPKGPLTDH-GOSISDBHSA-N 378.350 2.594 0 40 GFAB CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)[C@H](c2ccccc2)C1 30029832 VETSNZKNGUTRNB-IBGZPJMESA-N 387.430 2.600 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 40082004 MOMDUNYHBFLYMC-MRXNPFEDSA-N 398.850 2.890 0 40 GFAB COc1cccc(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)c1 30903925 PNRYUZKANXKBKO-HXUWFJFHSA-N 375.428 2.867 0 40 GFAB biogenic COc1cc([C@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc(OC)c1OC 101234967 OSLOCJVFUMRHRJ-OAHLLOKOSA-N 383.383 2.894 0 40 GFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1 32691603 UGKYDFUUXYRJFH-GJZGRUSLSA-N 375.469 2.919 0 40 GFAB O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 32817955 BHTOFTACURGNKO-UHFFFAOYSA-N 392.371 2.719 0 40 GFAB COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1OC 781770 NQKOETSVQMXDJY-KRWDZBQOSA-N 384.432 2.865 0 40 GFAB CC(C)(C)c1nc(CSc2nnc(COc3ccccc3F)n2N)no1 23055459 KPAIHPLMIXJGOA-UHFFFAOYSA-N 378.433 2.683 0 40 GFAB CCc1ccc(NC(=O)CSc2nnnn2-c2ccc(NC(C)=O)cc2)cc1 1361373 RXYCNDXAGWVQGR-UHFFFAOYSA-N 396.476 2.914 0 40 GFAB COc1ncccc1CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 31042130 YEZMFQPJHALEQS-UHFFFAOYSA-N 380.404 2.935 0 40 GFAB COc1ccccc1NC(=O)COC(=O)c1ccc(OC)c(OC)c1OC 3403798 GBXJIZPRXXDOIU-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB CCCCNC(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C 4859097 AOHFOXKVDJRQGQ-UHFFFAOYSA-N 376.526 2.959 0 40 GFAB CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(N)=O)cc2)C2=C1CCCC2=O 6953044 POHFYEJKVQUVAQ-UHFFFAOYSA-N 394.471 2.984 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 7077209 ZOLNFGCISMPLIQ-LBPRGKRZSA-N 376.906 2.568 0 40 GFAB CCc1nnc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)s1 28963202 NPPRHINYFFVUTG-UHFFFAOYSA-N 379.243 2.696 0 40 GFAB COC(=O)c1cccc(OCCN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 60086085 IPOAXAOQQLCUEU-NRFANRHFSA-N 382.416 2.628 0 40 GFAB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814425 AFFLFKKQGDNJDP-UHFFFAOYSA-N 399.472 2.975 0 40 GFAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCc2sccc2C1 21628661 UXTYBHYBGMQEGZ-UHFFFAOYSA-N 381.457 2.582 0 40 GFAB CC[C@H](c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57669977 AQYDWJLLFQFFDZ-MRXNPFEDSA-N 398.433 2.612 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)CC2=O)c1 32995835 YTIUQGZZULVTRG-HOCLYGCPSA-N 398.484 2.718 0 40 GFAB CC(=O)N1c2ccc(S(=O)(=O)N3CCc4sccc4C3)cc2C[C@@H]1C 21890859 UFPFSNSQLHMXJW-LBPRGKRZSA-N 376.503 2.793 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1 57882533 KWQFBDDSADQGLG-UHFFFAOYSA-N 389.315 2.758 0 40 GFAB COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(C)=O)sc(C)c12 667979 QHCIQKVDKUHXPS-UHFFFAOYSA-N 387.417 2.509 0 40 GFAB CN(CC(=O)N[C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)s1 53476090 NWDFCZSNKGORJP-ZDUSSCGKSA-N 384.910 2.826 0 40 GFAB CC1=NN(C(=O)c2ccc(I)cc2)[C@@](O)(C(F)(F)F)C1 896211 KECCPHVEIVZZDY-NSHDSACASA-N 398.122 2.764 0 40 GFAB O=C(NCCN1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 47141042 BVWYFPWDDBBAGY-UHFFFAOYSA-N 387.505 2.703 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)C1CCN(S(=O)(=O)c2cccs2)CC1 8327901 RPCCWWUORHKLRR-UHFFFAOYSA-N 397.547 2.733 0 40 GFAB COc1cc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccsc2)cc(OC)c1OC 23957575 KJCRPJFUBSRGBA-LBPRGKRZSA-N 392.477 2.551 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2ncsc2=S)CC1 24573086 XJWXFEFAWWJDSA-UHFFFAOYSA-N 378.479 2.711 0 40 GFAB COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CN)c3c1[C@H](C2)N(C)CC3 20518176 ZDLYJHVQGJQEFG-INIZCTEOSA-N 384.476 2.932 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)cnc21 25093438 CILGMOIYLRVBRE-HZPDHXFCSA-N 386.496 2.830 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)cc2s1 170609922 SHJCPSSUUXMZIY-WZRBSPASSA-N 377.491 2.610 0 40 GFAB Cc1cccc(C)c1-n1nnnc1C1(N2CCNCC2)C2CC3CC(C2)CC1C3 35170788 ZQEKFRFCJSCBQE-UHFFFAOYSA-N 392.551 2.836 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)OC)cc1)O[C@H](C)C2 12583497 GCAKUOLFWZHWPH-GFCCVEGCSA-N 391.445 2.996 0 40 GFAB Cc1cc(NS(=O)(=O)c2cc(C(=O)O)cs2)ccc1N1CCCC1=O 12541666 JVKIZTCKMLTXGD-UHFFFAOYSA-N 380.447 2.682 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1 57486179 FAKLOZYWJKJDIR-UHFFFAOYSA-N 393.487 2.903 0 40 GFAB CCCC[C@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2096002 AFAYYSBPZRDRBU-HNNXBMFYSA-N 375.421 2.802 0 40 GFAB biogenic CCc1ccc(OC[C@@H](O)Cn2nc(N3CCOCC3)sc2=S)cc1 58109596 CAYALEPVEKKMQT-AWEZNQCLSA-N 381.523 2.513 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1 10229157 IIRXKGHGNKOTBS-GUYCJALGSA-N 376.478 2.877 0 40 GFAB C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCn2cnc3ccccc32)C1 48354529 WDILYIXRQIWVAJ-HKUYNNGSSA-N 398.532 2.791 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1cccs1)N1CCCC1 12813970 UYCMHCNCXCDXAT-MRXNPFEDSA-N 385.489 2.999 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2nn(CC)c(=O)c3ccccc23)nc1C 7654386 FCYIMVIHLLMFPQ-UHFFFAOYSA-N 386.433 2.610 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2cc(F)cc(F)c2)cc1 12987381 KXFTYSHVDGWIKA-IBGZPJMESA-N 396.459 2.625 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(OC[C@@H]2CCCO2)cc1 3510157 KFZUKZWJDOGVHH-INIZCTEOSA-N 386.429 2.671 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc3c(c2)OCO3)n1 3545086 NRDUHZRDIGEDKV-UHFFFAOYSA-N 393.403 2.846 0 40 GFAB CCCS(=O)(=O)N1CCC(C(=O)OCc2nc3ccccc3s2)CC1 49462035 KEKMHNFCIMLZRY-UHFFFAOYSA-N 382.507 2.791 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 16204232 PUIOFGSNWQTGLK-HNNXBMFYSA-N 376.478 2.940 0 40 GFAB O=C(Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1)c1cccnc1 13684227 WAXNLQKIOQWGFJ-INIZCTEOSA-N 382.445 2.557 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1Nc1cccc(C(F)(F)F)c1 39998310 CODSYFUSDWEQHZ-ZDUSSCGKSA-N 399.394 2.761 0 40 GFAB Cc1csc2nc(COC(=O)c3cc(O)c4ccccc4c3O)cc(=O)n12 4414274 GDPXELQAGZXUQH-UHFFFAOYSA-N 382.397 2.986 0 40 GFAB O=C(NCc1nc(Cc2ccccc2)no1)NC[C@H](c1ccco1)N1CCCC1 65553623 IDUFXONNLGAFSD-QGZVFWFLSA-N 395.463 2.890 0 40 GFAB CCOc1cc2c(c3[nH]c(C(=O)N4CCN(C(=O)C(C)C)CC4)cc13)O[C@H](C)C2 65521118 RGKMWOPWKGVBQH-CQSZACIVSA-N 399.491 2.830 0 40 GFAB CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)Cc2ccccc21 68918188 HLJWZJYFBJHHFG-UHFFFAOYSA-N 386.521 2.713 0 40 GFAB COc1cccc(-c2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)c1 14244316 ZFSZETGSXCNJTA-UHFFFAOYSA-N 386.477 2.584 0 40 GFAB Cc1ccc(Sc2ncccc2C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 6589938 QHDWCDYEBWHIDU-CQSZACIVSA-N 376.503 2.800 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)N(C)c2ccccc2)cc(OC)c1OC 5505883 TWJMYTJBQQCLSB-ZHACJKMWSA-N 385.416 2.932 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)Cc2coc3cc(O)ccc23)cc1 5806469 QZKPIMLLQFRNOH-UHFFFAOYSA-N 383.400 2.592 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1 408706096 VEZGSHMJELPZKA-UHFFFAOYSA-N 376.478 2.712 0 40 GFAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 17861188 LLLDLSINPCIPPU-SFHVURJKSA-N 388.533 2.755 0 40 GFAB COc1ccc(C(=O)NC(=S)N2CCC[C@@H](c3cccnc3)C2)cc1OC 18200087 BQAMOXZKCHGVAI-MRXNPFEDSA-N 385.489 2.993 0 40 GFAB CCn1ncc(Br)c1C(=O)N1CCN(Cc2ccccc2F)CC1 28236457 ZCIAYOMLQGDKSO-UHFFFAOYSA-N 395.276 2.763 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)on1 96005186 KMMFNAJRZURGQT-OAHLLOKOSA-N 377.466 2.845 0 40 GFAB COc1cc(C)nc(NC(=O)NC(=O)COc2ccc(Cl)cc2Cl)n1 26895546 ITPUZXMISVRQAM-UHFFFAOYSA-N 385.207 2.828 0 40 GFAB CCC(C)(C)C1CCC(NC(=O)CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 72311154 NQUKYHRHFGWDLZ-NODKNVJMSA-N 380.554 2.980 0 40 GFAB COC(=O)c1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)cc1 85413021 UNXXQSFSJSRLQN-QAPCUYQASA-N 380.352 2.646 0 40 GFAB CCOC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cnc3n[nH]c(C)c3c2)cc1 95977794 DJZLSSPMGRZEES-RMKNXTFCSA-N 386.433 2.643 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)OCc3noc(-c4ccsc4)n3)n2)cc1 23007373 PFJBVPAAGROJQQ-UHFFFAOYSA-N 382.405 2.503 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1ccn(COc2ccc(F)cc2F)n1 32610870 PZGPGWNGZZVSMJ-UHFFFAOYSA-N 387.342 2.857 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C 219671355 DAVUVBZXHRIVMO-HNNXBMFYSA-N 386.473 2.715 0 40 GFAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)NCc1ccccc1 30953008 QJEISGNQXHIWTK-OAHLLOKOSA-N 386.835 2.553 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1OC 38772071 FLQIDXGSQNZPTC-ZDUSSCGKSA-N 392.477 2.591 0 40 GFAB O=C(NC1CCCCCC1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314587 DPKIDMUEGVSDBW-UHFFFAOYSA-N 382.512 2.668 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2cccc(C)c2)cc1 226046619 XPFKQTJYWDIJLT-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225819818 HDQREFHLJZAWPY-UHFFFAOYSA-N 396.459 2.868 0 40 GFAB CCNC(=O)c1ccc(C)c(NC(=O)c2cc(F)ccc2N2CCOCC2)c1 519349418 IEMALHOQLWCEDB-UHFFFAOYSA-N 385.439 2.973 0 40 GFAB COc1cccc(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 222586875 WCMORBRALYDMAA-UHFFFAOYSA-N 390.505 2.900 0 40 GFAB CC(=O)Nc1cccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)c1 49547451 WLHINVDAWBQOSS-UHFFFAOYSA-N 399.447 2.602 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC3CCCCC3)s2)c1 223846403 PMDFCBPGYDZZKH-UHFFFAOYSA-N 380.495 2.710 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 223563154 WQBABCSZIXWXBC-STQMWFEESA-N 384.324 2.870 0 40 GFAB C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccn(CCc2ccncc2)n1 569945436 OTRGUYXGXMKVPZ-INIZCTEOSA-N 386.459 3.281 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220118949 PMEVNWYLHDWBNM-AWEZNQCLSA-N 390.461 2.575 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96077284 HESWQPWYUKSUNG-OAQYLSRUSA-N 382.439 2.781 0 40 GFAB OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(C2CC2)n1 604382168 ILMHFLKWCMXTMV-UAFMIMERSA-N 387.911 2.698 0 40 GFAB biogenic,in-vitro COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 260832411 JHAQZCNATCGWKU-SGTLLEGYSA-N 392.864 2.896 0 40 GFAB Cn1ccnc1[C@H]1CNCCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 653138099 IWVYEDUJZQZORY-CQSZACIVSA-N 387.896 2.984 0 40 GFAB COc1ccc(CNC(=O)NC[C@@](O)(c2ccoc2)c2ccco2)cc1OC 390826171 DNNOPDINXHEZRD-HXUWFJFHSA-N 386.404 2.625 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2cc3ccccc3o2)cc1 96097304 HGVZPOKYUQVPMF-MRXNPFEDSA-N 389.429 2.621 0 40 GFAB O=C(c1cncc(F)c1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575606027 JEKKHQPRFXKGLW-INIZCTEOSA-N 382.844 2.876 0 40 GFAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)CCOc1ccc(F)cc1)CC2 585111302 NOIUONBAKZTCOQ-UHFFFAOYSA-N 397.454 2.585 0 40 GFAB CCN(C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O)C1CCCCC1 585286268 YGVNEOYNQNJCTJ-JTHBVZDNSA-N 388.552 2.598 0 40 GFAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(-c2cccs2)on1 585112983 RLYROVCIKXWAOK-KZULUSFZSA-N 399.476 2.930 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585293270 YYPRKLONIKQGHU-DBWMJRBXSA-N 380.496 2.666 0 40 GFAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2s1 5017148 MRQOMKMSRMGWTI-UHFFFAOYSA-N 389.458 2.763 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(S(C)(=O)=O)cc1 11083065 SJFMXZZDAJHMEW-UHFFFAOYSA-N 383.473 2.607 0 40 GFAB CCc1nnsc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12914500 LRMOYUDZGIRTCC-UHFFFAOYSA-N 387.461 2.607 0 40 GFAB CC[C@H](C(=O)NCc1cccnc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716368 HBOFQMWWDYGKOR-GOSISDBHSA-N 375.494 2.559 0 40 GFAB CCN(CC)c1ncc2c(O)nc(C3CCN(Cc4cnn(C)c4)CC3)cc2n1 19526560 VOEGLWUSLPDNAA-UHFFFAOYSA-N 395.511 2.690 0 40 GFAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)Cn1nc(C)cc1C)C2 19573398 LRAIWMVRLTYBLE-NRFANRHFSA-N 383.492 2.889 0 40 GFAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCn1cnc2ccccc2c1=O 19661699 KCPOZTOHUDRCBU-UHFFFAOYSA-N 391.406 2.965 0 40 GFAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@H]1CCCOC1 19696584 AZQJMXHLSGZEMX-AVRDEDQJSA-N 397.475 2.560 0 40 GFAB CN(C)C(=O)CN1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1 19703623 FOVXLFCKGAAPGR-SFHVURJKSA-N 376.888 2.910 0 40 GFAB Cc1c([C@H](C)NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)cnn1C 19748331 QPSOXOJACRVSMC-INIZCTEOSA-N 382.508 2.777 0 40 GFAB CCN(c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)S(C)(=O)=O 19937768 PLXWIIBKWRHAQX-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225790961 NWXGNIGXAPOGMG-UHFFFAOYSA-N 391.397 2.732 0 40 GFAB CC(C)(CNC(=O)c1ccccc1-c1ccccc1C(=O)O)S(C)(=O)=O 653640137 RXLYQBYAUALDTO-UHFFFAOYSA-N 375.446 2.605 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3)on1 12337696 PSXJYLDJNHHEKS-UHFFFAOYSA-N 393.447 2.588 0 40 GFAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)s1 8881459 YIIRQGVMMUTGOE-UHFFFAOYSA-N 389.864 2.673 0 40 GFAB O=C1[C@H](N2CC(n3c(C4CC4)nc4ccccc43)C2)CCN1CC(F)(F)F 1776009376 XUSRQYVTODPOTD-MRXNPFEDSA-N 378.398 2.934 0 40 GFAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(I)cc1 20138343 IXTTYMPNQHBKSY-UHFFFAOYSA-N 383.141 2.947 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985622 PWCNHHSOMDHXED-QFIPXVFZSA-N 382.435 2.650 0 40 GFAB COc1cccc(NC(=O)CSc2nc(CC(=O)NC(C)C)cs2)c1 8850848 WRNZWHYXQHZKMO-UHFFFAOYSA-N 379.507 2.950 0 40 GFAB COc1ccccc1CCNC(=O)Cc1csc(NC(=O)c2ccco2)n1 16494736 XDWDYPOEGLHCTN-UHFFFAOYSA-N 385.445 2.898 0 40 GFAB COc1cccc2cc(C(=O)N3CCC[C@H](Oc4ccnc(C)n4)C3)c(=O)oc12 575609495 MCRDNAYFEZYGSV-HNNXBMFYSA-N 395.415 2.584 0 40 GFAB O=C(c1ccc(Br)o1)N1CC(c2nc(-c3ccncc3)no2)C1 49032032 KHMQCCZXODOBGJ-UHFFFAOYSA-N 375.182 2.727 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@@H]24)O3)c1 6764430 PHKDZDGCQXIOBV-VWNVYAMZSA-N 378.428 2.817 0 40 GFAB COC(=O)[C@@H](C)NC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C 16020739 GGNVDOIHCYGBBK-GFCCVEGCSA-N 380.404 2.582 0 40 GFAB COc1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1OC 1016494 RANKGVWAJDCLRT-UHFFFAOYSA-N 393.432 2.663 0 40 GFAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C3CCC3)c3nnnn3c2c1 1367334 AFJXITUVGASEPZ-SFHVURJKSA-N 379.464 2.894 0 40 GFAB COc1cc(CNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc(OC)c1 1428902 ATGQYSAGDGZEFE-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB Cn1c(=O)c2nc(SCc3ccc(Cl)cc3Cl)n(C)c2n(C)c1=O 4571063 KAIIQGFZIMTOHG-UHFFFAOYSA-N 385.276 2.570 0 40 GFAB COc1cc2c(c(N[C@H](C)CCCNC(=N)NC(=N)NC(C)C)c1)NCCC2 4707129 OQUAFFGOYICMST-CQSZACIVSA-N 389.548 2.681 0 40 GFAB COc1ccc(CCNC(=O)CN2C(=O)CSc3ccccc32)cc1OC 5117022 UNCGDPHKTXKPTA-UHFFFAOYSA-N 386.473 2.501 0 40 GFAB C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)NCc1ccc2c(c1)OCO2 5118331 YFQRHKJPVXSIDC-JTQLQIEISA-N 376.796 2.513 0 40 GFAB CC(C)[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 5405863 BKLSHMGOIYLJAK-LJQANCHMSA-N 393.443 2.832 0 40 GFAB CCCCNc1ccccc1C(=O)OCC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 5898612 ILEFBXYLUAVQSM-ZDUSSCGKSA-N 389.452 2.574 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 6390195 CBKQHTMPAWMQIZ-UHFFFAOYSA-N 390.852 2.710 0 40 GFAB CNC(=O)NC(=O)[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1ccccc1 6485930 WOFWRGPECKPLQK-AWEZNQCLSA-N 378.331 2.642 0 40 GFAB O=C(OCC(=O)N1CCCc2ccccc21)C1=NN(c2ccccc2)C(=O)CC1 6890005 GBMJOHUQQAIBLI-UHFFFAOYSA-N 391.427 2.692 0 40 GFAB O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1ccco1 7387120 UAAXQOCWHMGMQE-UHFFFAOYSA-N 392.437 2.931 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 7666755 XGLVFKIQZLQAIQ-GFCCVEGCSA-N 387.461 2.608 0 40 GFAB COc1cc2c(cc1/C=C/C(=O)N1CCN(c3ccccn3)CC1)O[C@H](C)C2 7782333 KNSKYTNGMNSPQA-FYCOFBDGSA-N 379.460 2.776 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(COc2ccccc2)o1 8315190 QZOZQRXCDXPOFQ-IBGZPJMESA-N 376.412 2.911 0 40 GFAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc(F)cc1 8974686 POEHVJKKULFRRA-LAUBAEHRSA-N 395.390 2.697 0 40 GFAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@@H]2c1ccccc1F 9202040 VIDZESBALIQYSM-MRXNPFEDSA-N 379.330 2.809 0 40 GFAB COc1cc(OC)c(C2=CCN(c3cn[nH]c(=O)c3Cl)CC2)c(OC)c1 11005672 SYOWSNBPLYNHKH-UHFFFAOYSA-N 377.828 2.743 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)CC1 12088121 MACNUPIYNBBNPM-UHFFFAOYSA-N 393.447 2.577 0 40 GFAB O=C(NCc1cccnc1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCNCC1 12088827 KJLREVKAUNQDEU-LJQANCHMSA-N 396.466 2.790 0 40 GFAB CS(=O)(=O)N1CCc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@@H]4C3)ccc21 12180998 SQFQHBRYJDGHQJ-QKYXUNIQSA-N 378.538 2.554 0 40 GFAB CN1CCC(N(C)CC(=O)N[C@H](Cc2cccs2)c2nccs2)CC1 12226094 DCZFFCGPATZANP-MRXNPFEDSA-N 378.567 2.631 0 40 GFAB CCc1nc(N2CCOCC2)ncc1C(=O)N1CCn2c(C)ccc2[C@@H]1C(C)C 12290513 VKAOQFKECJKKGQ-FQEVSTJZSA-N 397.523 2.839 0 40 GFAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cn(C)nc1OC 12422640 VRKXTAFSKWLKDD-UHFFFAOYSA-N 387.465 2.691 0 40 GFAB O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](Sc2ccccc2)[C@H]1O 12483395 XQNOWBUIWIQRDT-UYTYNIKBSA-N 390.436 2.593 0 40 GFAB biogenic,in-vitro COc1ccc([C@H](NC(=O)c2cn3c(C)cccc3n2)c2nccn2C)cc1 12520258 RJRCACPQWPGFTL-IBGZPJMESA-N 375.432 2.904 0 40 GFAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nccs2)CC1 12781539 XXFJBHLNUAMTJO-UHFFFAOYSA-N 378.306 2.961 0 40 GFAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)c(F)c1 12797164 ADFCPMBNEBXUOI-INIZCTEOSA-N 383.467 2.855 0 40 GFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2C)cc1 12797238 PDADLUCUHQNRBK-LJLILKBBSA-N 376.503 2.815 0 40 GFAB Cc1cc(N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)nc(C(C)C)n1 12978978 OSLGYVHMSFUISR-GOSISDBHSA-N 381.524 2.908 0 40 GFAB Cc1ccc(OCCNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13234883 UEQQJVMAPYLFSO-IBGZPJMESA-N 381.432 2.850 0 40 GFAB C[C@H](NC(=O)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2)c1ccccc1 13731683 VJPKFAHSKASGTD-GOEBONIOSA-N 387.505 2.613 0 40 GFAB CCn1c(-c2ccco2)nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1=S 14263234 HJONOKFNLOBZIS-AWEZNQCLSA-N 398.554 2.797 0 40 GFAB O=C(CCCNC(=O)NC1CCCCC1)NCCc1ccc2c(c1)OCCO2 14848507 LTDFZOBBLIZZDB-UHFFFAOYSA-N 389.496 2.529 0 40 GFAB Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 15734041 OMMDYWDUHKETFI-UHFFFAOYSA-N 387.461 2.780 0 40 GFAB CSc1ncc(C(=O)OCc2nnnn2-c2ccccc2)n1-c1ccccc1 17741876 HEJASNQOLZGQAD-UHFFFAOYSA-N 392.444 2.927 0 40 GFAB Cn1ccnc1-c1nc(NCCN2CCCC2=O)ncc1-c1ccccc1F 19291674 HSAVGCGJGCCLGU-UHFFFAOYSA-N 380.427 2.718 0 40 GFAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2cccc(Cl)c2)CC3)C1 19709506 FCLCEIFUIHUVKG-QGZVFWFLSA-N 387.915 2.716 0 40 GFAB CNc1cc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)nc([C@@H]2CCCNC2)n1 19709581 HVAYLAIVMWQZIX-CYBMUJFWSA-N 396.470 2.878 0 40 GFAB COc1ccc(CCNC(=O)C[C@H](NC(C)=O)c2cccs2)cc1OC 21306016 FTVVKBATPCQIFO-HNNXBMFYSA-N 376.478 2.692 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNCCc1cccc(Cl)c1 23731644 SRQLEMOCNMABTE-KRWDZBQOSA-N 381.929 2.845 0 40 GFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cn2ccccc2=O)o1 24211001 LVRNHEGLJRICRX-FQEVSTJZSA-N 392.411 2.666 0 40 GFAB CC1(C)NC(=O)N(CCOC(=O)C2c3ccccc3Oc3ccccc32)C1=O 28183281 JKPHZBYVSZPCRA-UHFFFAOYSA-N 380.400 2.798 0 40 GFAB COCCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206781 QDTNJYSPNUBEDF-OAHLLOKOSA-N 388.489 2.593 0 40 GFAB CN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 29183783 KUHVISCMGFIEKX-AWEZNQCLSA-N 378.379 2.668 0 40 GFAB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1NS(C)(=O)=O 29213710 UVPBVIJCOYDDJR-UHFFFAOYSA-N 375.494 2.623 0 40 GFAB CCN1CCN(c2ccc(NC(=O)c3cnn4c(C)cc(C)nc34)cc2)CC1 29798945 HGOIAAIRJKYHLI-UHFFFAOYSA-N 378.480 2.740 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 30846701 LYEIQHXATYUJLP-KRWDZBQOSA-N 376.497 2.808 0 40 GFAB O=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 32698072 JVQPBZOTEFJIQI-UHFFFAOYSA-N 394.474 2.707 0 40 GFAB CC(=O)N[C@H](CC(=O)NCc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 32899214 YLNNDAYEEXYARV-QGZVFWFLSA-N 388.855 2.714 0 40 GFAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)COc1ccccc1F 32915989 MTRQYWOVFGRYRM-GOSISDBHSA-N 385.483 2.922 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@H]2COc3ccccc3O2)N2CCCC2)cc1 33023391 BPOZJBGPSLROCQ-GHTZIAJQSA-N 382.460 2.788 0 40 GFAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(N2CCCCCC2)cc1 36386056 WTFASVKDKGRHKP-UHFFFAOYSA-N 384.524 2.560 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)NC3CCCCCC3)N=C2O)cc1 36584976 LXXNHFXQUKLSND-GOSISDBHSA-N 387.480 2.939 0 40 GFAB CCn1ccc(-c2cc(C(=O)NCCCn3cc(C)cn3)c3c(C)noc3n2)n1 36617982 PBEYMWJGAZBYAN-UHFFFAOYSA-N 393.451 2.740 0 40 GFAB O=C(CCC1CCCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40030787 FIVBPNXXPBBQGV-UHFFFAOYSA-N 385.574 2.612 0 40 GFAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc(C(F)(F)F)cc1 40097850 FAJTWPNKUGYJSP-CJNGLKHVSA-N 387.402 2.564 0 40 GFAB CC[C@@H](C(=O)N1CCN(CCNC(=O)c2ccsc2)CC1)c1ccccc1 42383014 IQXFUQSUZMDPBW-LJQANCHMSA-N 385.533 2.816 0 40 GFAB CC(C)C[C@H](NC(=O)COC(=O)c1sccc1-n1cnnn1)c1ccccc1 46275115 RIGWUQDZNCJOMK-HNNXBMFYSA-N 399.476 2.784 0 40 GFAB Cc1noc(CCCn2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)n1 57354823 ZWQCNTSITWWQBM-UHFFFAOYSA-N 390.443 2.844 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 58180952 LJPSBVNFNXDSHH-WBMJQRKESA-N 378.432 2.724 0 40 GFAB O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 63386320 ACMOGKXGKBBCOW-QZTJIDSGSA-N 396.940 2.877 0 40 GFAB O=C(Cn1cnc2cc3c(cc21)OCCO3)NCCOc1ccc(Cl)cc1 64794886 OXXAEUASWUYBGC-UHFFFAOYSA-N 387.823 2.656 0 40 GFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 65530389 RWAJHTGAOOZLPE-IUODEOHRSA-N 376.478 2.939 0 40 GFAB Cc1cc(C)n(-c2ccc3nnc(CCC(=O)NCCC4=CCCCC4)n3n2)n1 71280274 RBYOGKKVFGLPKI-UHFFFAOYSA-N 393.495 2.866 0 40 GFAB COc1cccc(N2CCN(C[C@@H](CC(=O)Nc3ccccc3)C(=O)O)CC2)c1 71283130 WQBYTXQWLPSBJK-QGZVFWFLSA-N 397.475 2.547 0 40 GFAB Cc1nn(C)cc1CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12 72327171 JPOOPAFDXBJJOF-UHFFFAOYSA-N 384.915 2.862 0 40 GFAB O=C(CCc1nc2ccccc2[nH]c1=O)NC1CCN(Cc2ccccc2)CC1 72402801 IVTNATPZZJACPG-UHFFFAOYSA-N 390.487 2.637 0 40 GFAB CC(=O)N(C)C1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 78883319 XECCTSIRJGMZMO-SFHVURJKSA-N 385.552 2.799 0 40 GFAB CCCCn1c(-c2ccc(C(=O)O)cc2)nc2c1c(=O)[nH]c(=O)n2CCCC 95951442 BQNJUVAVAMWYNH-UHFFFAOYSA-N 384.436 2.852 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 95957601 CJVITCKSGYMSKL-CQSZACIVSA-N 379.507 2.632 0 40 GFAB O=C(/C=C/c1cc(Br)ccc1F)N1CCOC[C@@H]1c1ncon1 95981384 RUBQLWGCBKYANB-FNVMNULWSA-N 382.189 2.585 0 40 GFAB COC(=O)c1cccc(NC(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)c1 96307235 KDKAIMMQOJVGGF-KRWDZBQOSA-N 396.491 2.805 0 40 GFAB COCC(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 100724636 QWAUSUZPSZMMPB-CXAGYDPISA-N 378.432 2.640 0 40 GFAB O=S(=O)(C1=CC=C[C@@H]2N=S=N[C@@H]12)N1CCC(Cc2ccccc2)CC1 101409257 JNCXUUWFQVPTDV-FUHWJXTLSA-N 375.519 2.925 0 40 GFAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104669972 KXJPJZIZSNDIMK-LUKYLMHMSA-N 397.475 2.857 0 40 GFAB O=S(=O)(N[C@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1)C1CC1 108526102 XUZVOJLNGQCMJF-INIZCTEOSA-N 398.956 2.935 0 40 GFAB Oc1nnc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@H]2c1cccnc1 111999976 IGJLTTQDYOYYJL-HNNXBMFYSA-N 378.783 2.579 0 40 GFAB CC(C)c1ccc(OCC(=O)NCCCN2CCOCC2)c(Br)c1 218873101 RRZJFIUGGFZGAK-UHFFFAOYSA-N 399.329 2.790 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222490494 VYLFLKJSFHQFNF-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB CN1C(=O)CO[C@H](C(=O)NCCCc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 223281760 ZSIKDSIVMNOXSD-PMACEKPBSA-N 388.414 2.612 0 40 GFAB C[C@@H](C(=O)NCCOc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896040 POBKUIJUXQDQPF-AWEZNQCLSA-N 396.896 2.690 0 40 GFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 224352328 APSNVKYAEZVUDO-UHFFFAOYSA-N 388.489 2.670 0 40 GFAB CC[C@H](NC(=S)Nc1ncccc1OC)c1ccc(S(C)(=O)=O)cc1 225726218 SLBGKHGHIHBTPA-AWEZNQCLSA-N 379.507 2.931 0 40 GFAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1 244955813 GATXICHRHBMFLZ-UHFFFAOYSA-N 399.470 2.710 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccsc2)N2CCC2)cc1 245053590 PBXDYLJTIXFCSC-GOSISDBHSA-N 392.546 2.647 0 40 GFAB CCCc1cc2c(cc1NC(=O)CCN1C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C1=O)OCO2 252311128 SGTIHBHERQMZMX-AFHBHXEDSA-N 398.459 2.728 0 40 GFAB Cc1nccc(C(=O)N2CCC3(CC2)C[C@H](N(C)c2ccc(F)cc2)CO3)n1 257209761 BRTYXOVYWXQRLV-SFHVURJKSA-N 384.455 2.824 0 40 GFAB Cc1sc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](O)C2)nc1-c1ccccc1 257297959 RJMXNPISRRYYQR-JXFKEZNVSA-N 387.505 2.673 0 40 GFAB Cc1c(Cl)cc(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2C)cc1C(=O)O 451094535 ICNYEASGUKJKIP-NSHDSACASA-N 399.856 2.614 0 40 GFAB CSCC[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21)n1cccc1 524730456 JTNYRPCTEIOVMA-OWSLCNJRSA-N 375.538 2.642 0 40 GFAB biogenic Cc1ccnc(-c2ccc(NC(=O)NC3(c4nc(C)no4)CCOCC3)cc2)n1 528983078 QQGLAUOBUKJLPA-UHFFFAOYSA-N 394.435 2.971 0 40 GFAB O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 583547797 FQAUCQDWXMTYBP-FQEVSTJZSA-N 394.512 2.759 0 40 GFAB Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc(F)ccc2N2CCN(C)CC2)c1 585080258 VOJZEUIQGGUHRQ-NRFANRHFSA-N 385.483 2.658 0 40 GFAB O=C(NCCO)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 585139083 YQEJSPKNVMMGRX-UHFFFAOYSA-N 378.453 2.757 0 40 GFAB Cc1cn2ccc(C(=O)Nc3ccc(C)c(C(=O)N4CCOCC4)c3)cc2n1 635864319 HOGNKDPWICVFAG-UHFFFAOYSA-N 378.432 2.676 0 40 GFAB O=C1[C@H](O)CCCCN1CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 644405037 GDQJRUFOBGIBNM-FGZHOGPDSA-N 392.499 2.729 0 40 GFAB c1nc(C2CCOCC2)cc(N2CCN(Cc3nc4c(s3)CCC4)CC2)n1 1888853472 IVBIDRWRBVSPFG-UHFFFAOYSA-N 385.537 2.638 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cccc(N(C)C)c5)C[C@H]4C3)n1)CCC2 1888890234 OWWYHGKQOVNEJS-QZTJIDSGSA-N 391.519 2.548 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840632 PAKGGYZSSQXRMK-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB Cn1cncc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037843313 AJJTXOSREGJTIX-AZUAARDMSA-N 382.508 2.532 0 40 GFAB CN1C[C@@H](C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)CC1=O 2037846169 SOUCSRLCXNEKFY-JTQLQIEISA-N 398.893 2.651 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2nsc(Cl)c2Cl)cc1 1381365 KEUWCGVBDKLNEN-UHFFFAOYSA-N 375.233 2.932 0 40 GFAB CCO[C@@H](C)[C@@H](Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(C(=O)O)cc1 1602392 HKPVSEKLTUCQTK-YVEFUNNKSA-N 386.404 2.927 0 40 GFAB CCn1cc([C@H](C)NC(=O)c2cc3ncc(Br)cn3n2)c(C)n1 2792519 ICYZCGQEQQLQJN-VIFPVBQESA-N 377.246 2.508 0 40 GFAB COc1ccccc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O 6453287 CSESKRNWBUNSRM-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=S)NC3CCCCC3)CC2)c1 6839784 UACLMFCGQQXWLE-UHFFFAOYSA-N 395.594 2.817 0 40 GFAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(C(=O)c2cccs2)CC1 7360421 NSQVARLRIBCLKV-MRXNPFEDSA-N 383.517 2.874 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCn3ccc(C)n3)c3cnn(C)c3n2)cc1 36616987 ATODMEFPISDQCZ-UHFFFAOYSA-N 390.447 2.579 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 8133780 WNDLYDVRAFORRT-INIZCTEOSA-N 394.537 2.935 0 40 GFAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccc2c(c1)CCC2 21468652 FJJAGFDZTGVTTL-ZIAGYGMSSA-N 391.423 2.974 0 40 GFAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 32898962 RXJOEALZUZGFEV-UHFFFAOYSA-N 390.439 2.940 0 40 GFAB COc1ccc(CN(CN2C(=O)NC3(CCCC3)C2=O)CC(F)(F)F)cc1 32909254 OWMSXFXCMWTAET-UHFFFAOYSA-N 385.386 2.882 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 21844046 TUFJXENNWRWFFP-HNNXBMFYSA-N 375.446 2.900 0 40 GFAB Cn1c(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs/c1=N\c1ccccn1 101722573 SLNMJRNFRVNNNM-ZZEZOPTASA-N 386.502 2.703 0 40 GFAB CCn1cc(Br)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1 27971367 GZDPTWCGESKJGU-UHFFFAOYSA-N 381.249 2.767 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccc3c(c1)CCC(=O)N3)C(=O)C2 101324372 QZACXLPKXSUMHI-YJYMSZOUSA-N 376.478 2.708 0 40 GFAB C[C@H](c1ccccc1)n1cnn(CN2CCN(c3ncccn3)CC2)c1=S 54422226 KRZOGDAAWMVFSL-MRXNPFEDSA-N 381.509 2.593 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)c1ccccc1C(=O)c1ccccc1 47122036 TXPOMWBJSYPTMZ-UHFFFAOYSA-N 383.411 2.823 0 40 GFAB CC[C@H](C)NC(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N 25044450 LVHLSFQXDQXOLE-ZDUSSCGKSA-N 391.541 2.875 0 40 GFAB CN(C)C[C@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](O)c1ccccc1 43492336 FVOYFDJHOJREMR-LAUBAEHRSA-N 399.491 2.881 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12532149 SYCWLIIRNFPHTR-ZDUSSCGKSA-N 385.443 2.624 0 40 GFAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 306138126 RPVYTRKQMULVPO-UYAOXDASSA-N 392.927 2.710 0 40 GFAB COc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)c(OC)c1OC 58140002 UKTWDPMQVLMKCX-UHFFFAOYSA-N 376.478 2.732 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Cl)c2c(c1)OCO2 27673801 GZFQZRPOCBPAHS-MRXNPFEDSA-N 388.851 2.700 0 40 GFAB COc1cc2oc(=O)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(C)c2cc1Cl 2158399 ZWQDIIMVCQNQMS-INIZCTEOSA-N 381.812 2.531 0 40 GFAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc2c(c1)OCO2 10441460 MZHZJZPZCHHSQQ-UHFFFAOYSA-N 387.388 2.790 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1nn(-c2ccccc2)nc1C 7778135 JDINSXWHRASYGG-UHFFFAOYSA-N 393.447 2.685 0 40 GFAB CC(C)CN1C[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O 48325166 SCECUTRLOFZYDQ-KRWDZBQOSA-N 391.943 2.925 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(Cl)c1 8343184 JBQKGHXHXGNPDR-SFHVURJKSA-N 392.908 2.733 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1nc(-c2ccncc2)no1 12923248 AFJYEWPGJQLVAS-UHFFFAOYSA-N 381.392 2.670 0 40 GFAB CC(C)c1ccc(CN(C)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12924080 JILLYCKNJVAYPO-UHFFFAOYSA-N 379.460 2.862 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CCNC(=O)c2ccc(Cl)cc2)c1C 12901529 QRSVDROTDZOVSH-UHFFFAOYSA-N 387.867 2.832 0 40 GFAB O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13006250 UKMKVSIKBWJYKI-CRAIPNDOSA-N 378.428 2.614 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C 13137708 KLNHWMOZSAHTKB-UHFFFAOYSA-N 389.452 2.588 0 40 GFAB Cc1cccc(OCCCNC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c1 16278182 HVJZFHGKQZKCJV-UHFFFAOYSA-N 390.505 2.881 0 40 GFAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6011736 OZWUIRQQFGWGMR-AATRIKPKSA-N 379.718 2.960 0 40 GFAB O=C(CSc1nc2ccccc2s1)NN1C(=O)NC2(CCCCC2)C1=O 5035003 ZLWIWYRCGXOGFM-UHFFFAOYSA-N 390.490 2.674 0 40 GFAB CCc1ccc(N2C(=O)S[C@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 4335322 ZNYYTZDEWUZPCF-HNNXBMFYSA-N 391.474 2.534 0 40 GFAB CCCc1nnc(NC(=O)COC(=O)CCSc2nc(C)cc(C)n2)s1 6462527 NRZXQEAKRSIYCI-UHFFFAOYSA-N 395.510 2.562 0 40 GFAB CC(C)N1CCC(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 14185432 KITUZWWJGLSMML-UHFFFAOYSA-N 375.488 2.667 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 4512502 IECFKUOKCLAUGH-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)oc12 65612323 OPVIUBSWJDKMGC-MJBXVCDLSA-N 382.482 2.836 0 40 GFAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccccc1C(=O)NC1CCCC1 14237452 AKFGFFJAAMQJKF-UHFFFAOYSA-N 396.476 2.713 0 40 GFAB Cc1c(NC(=O)CSC(=S)N2CCCC2)c(=O)n(-c2ccccc2)n1C 6520306 CECDCZAOOBFWFD-UHFFFAOYSA-N 390.534 2.537 0 40 GFAB COc1ccc(C[C@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[nH]2)c(OC)c1 4676405 FSGJGILTUHYWMY-KRWDZBQOSA-N 381.436 2.799 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccco2)c(Cl)c1 20453551 QRLBJZUECSWUKE-UHFFFAOYSA-N 388.898 2.968 0 40 GFAB Cc1c(C(=O)N(C)[C@@H](C)c2cccnc2)nnn1-c1ccc2c(c1)OCCO2 67137979 IPRKSJDPMBBRRD-ZDUSSCGKSA-N 379.420 2.575 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(NC(C)=O)c2)cc1 5989677 IPUBAPMQJHJMML-LBPRGKRZSA-N 383.404 2.787 0 40 GFAB Cc1cc(C)cc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 7090854 RKTYRAZQXUAYKA-QFIPXVFZSA-N 396.443 2.921 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 8765313 VZMBWSVUCKQTHH-MRXNPFEDSA-N 391.471 2.859 0 40 GFAB biogenic Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2cccc3nsnc23)c(C)c1 19109532 ZNICDZIFDMCFRL-UHFFFAOYSA-N 390.490 2.534 0 40 GFAB O=C(NCCCN1CCCC1=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 9595767 KTIAGZWQDYMNCK-HXUWFJFHSA-N 392.455 2.883 0 40 GFAB COc1cc2c(cc1NC(=O)[C@H]1CCCN1S(C)(=O)=O)oc1ccccc12 9048315 QEGSAMZHLPXIFX-OAHLLOKOSA-N 388.445 2.957 0 40 GFAB Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 71279628 RGYWQWXSHYSJBF-CQSZACIVSA-N 392.887 2.852 0 40 GFAB Cc1ccc(C)c(-n2cnc(=O)n2CC(=O)Nc2cc(C)nn2C(C)(C)C)c1 89626523 GVFKVWHDWYRCFL-UHFFFAOYSA-N 382.468 2.549 0 40 GFAB CCc1nc2ccccc2n1CC(=O)NCc1cc(OC)c(OC)c(OC)c1 9888071 CTFOSEHFFRDWPE-UHFFFAOYSA-N 383.448 2.941 0 40 GFAB COc1cccc(C[C@H](C(=O)N[C@H]2CCCc3occc32)n2nnnc2C)c1 84297289 SPHMCQPCXBSQLM-ZWKOTPCHSA-N 381.436 2.561 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)ccc2-n2cccn2)ccc1F 78789927 NGBXIFLCRGUMRQ-UHFFFAOYSA-N 379.344 2.650 0 40 GFAB CC(C)(C)OC(=O)[C@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CCO1 78972825 JOESHOYUCHYSSE-LJQANCHMSA-N 385.460 2.824 0 40 GFAB COc1ccc([C@H](O)CNC(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1 78937977 GDEJCWRAGJJFDV-OAHLLOKOSA-N 398.868 2.607 0 40 GFAB O=C(COC(=O)c1ccc(Cn2cncn2)cc1)Nc1cccc2ncccc12 24110687 PLKUGZAZUSZACY-UHFFFAOYSA-N 387.399 2.670 0 40 GFAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc(N2CCCC2=O)cc1 23248929 POGVRNZXHSABTO-UHFFFAOYSA-N 398.532 2.631 0 40 GFAB COc1ccccc1-n1ccn(CC(=O)Nc2c(C)cccc2Cl)c(=O)c1=O 67256460 WIRAHNUGYAZOQD-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB Cc1cccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1C 408733430 IYGMVSNIZWGMOH-ZWKOTPCHSA-N 399.450 2.780 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1556945942 CUURSLWPVCUWKE-IXDGSTSKSA-N 397.393 2.992 0 40 GFAB Cc1cc(S(=O)(=O)N(CCC(N)=O)c2ccccc2)ccc1Br 31669057 RQZJWKJDUZHMPH-UHFFFAOYSA-N 397.294 2.828 0 40 GFAB Cc1cccc(NC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1C 35598120 BFBBECWUQSADNY-UHFFFAOYSA-N 377.452 2.633 0 40 GFAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCO[C@H](c2cccc(F)c2)C1 516932627 WTXXQYJDCFQLSM-KUHUBIRLSA-N 386.423 2.602 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NCc3cc(-c4ccco4)on3)CC2=O)c1 35589937 MKWAZQIBRPILRK-ZDUSSCGKSA-N 381.388 2.613 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)cc1OC 72347332 VUWCMFLTGMWNQJ-HNNXBMFYSA-N 398.507 2.994 0 40 GFAB Cc1ccc(NC(=O)Cn2nc3c4cccc(C)c4ncn3c2=O)c(Cl)c1 44166040 NYQGBUYEYDEESI-UHFFFAOYSA-N 381.823 2.953 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1NCc1ccco1 217627795 PGUABEHLRJSIHK-UHFFFAOYSA-N 376.390 2.661 0 40 GFAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2OC)cc1 48331771 UEPGOVLPYKWTHP-UHFFFAOYSA-N 383.397 2.577 0 40 GFAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N(C)c1ccccc1 222760971 DXJKMVHWGGTDLL-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1OC 223327688 VSKAVNXVOLMVLR-UHFFFAOYSA-N 384.797 2.593 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C(C)C 225271948 GUKCXHVUQQFUCP-AWEZNQCLSA-N 377.462 2.937 0 40 GFAB COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224632534 HYJKHSJUYVJPLG-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cc(OCc3ccccc3)ncn2)n1 225533648 AQUJOFJIFRSJJZ-UHFFFAOYSA-N 398.444 2.870 0 40 GFAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccc(-c4nnnn4C(C)C)c(F)c3)C2)n[nH]1 572103077 SHGHMBGNRFIHPX-GFCCVEGCSA-N 399.434 2.508 0 40 GFAB Cc1nc2c(F)cccc2cc1C(=O)NCc1cccc(N2CCOCC2)n1 572771845 XPTXVQJHWQNTIM-UHFFFAOYSA-N 380.423 2.844 0 40 GFAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cn[nH]c2)c2ccccc21 575443997 LXSAHMRNLOBNHE-MRXNPFEDSA-N 383.452 2.976 0 40 GFAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 224890992 NKBWFMQGYJLZKV-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB CS(=O)(=O)N1CCOC2(CCN(Cc3ccco3)CC2)c2ccccc21 96080327 JOWMRIYJLZWFNQ-UHFFFAOYSA-N 376.478 2.567 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccccc1F)C2 96237914 JOGUUSVVZCYXSW-NRFANRHFSA-N 385.414 2.528 0 40 GFAB O=C(NCCc1ccc(F)cc1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100471 NKFSQOYJQDXLNS-UHFFFAOYSA-N 395.316 2.673 0 40 GFAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248259021 PTNGMKDWGZALSA-QNTYUMOHSA-N 399.535 2.789 0 40 GFAB Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C 618053977 AAQIJGZIAUMOPZ-VBKZILBWSA-N 388.471 2.918 0 40 GFAB COc1cc(NC2CCN(C(=O)c3ccc(C(=O)O)nc3)CC2)cc(OC)c1 653305273 HNFFQSRPPBDPFL-UHFFFAOYSA-N 385.420 2.514 0 40 GFAB CCS(=O)(=O)N1CCC(CNC(=O)N2CC3(CCCC3)[C@H]2C(C)C)CC1 655798341 YIMGIFYUDLTISX-QGZVFWFLSA-N 385.574 2.658 0 40 GFAB CN(C)C1(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)Cc2ccccc2C1 607535098 STJCIPPECWUDSF-UHFFFAOYSA-N 378.451 2.840 0 40 GFAB Cn1nccc1/C=C/C(=O)N1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 585290061 QZTIWSVMHVTDJF-GTKAUMRRSA-N 381.476 2.908 0 40 GFAB COc1ccc(COCC(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)cn1 585123712 KVHBXVBUAUZNGW-LJQANCHMSA-N 380.366 2.982 0 40 GFAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3cccs3)[C@H]3OCC[C@@H]32)cc1 585109320 ITOUIXXCKWZBTF-CMKODMSKSA-N 384.501 2.531 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2cccc(F)c2)C1 72391051 LILQWILYKGHTJX-IBGZPJMESA-N 398.478 2.989 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)nn1C1CCCCC1 580039957 ILHZCYGJYPJATF-YJBOKZPZSA-N 386.500 3.472 0 40 GFAB CCCCn1c(CSc2nnc(C)s2)nc2cc(S(N)(=O)=O)ccc21 5093648 CXQQVLIVUVZSIQ-UHFFFAOYSA-N 397.551 2.936 0 40 GFAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc2c(c1)OCO2 5980786 YPSLYGRVYPGINE-UHFFFAOYSA-N 381.306 2.907 0 40 GFAB Cc1cccc(C2(O)CCN(C(=O)c3sc4ncn(C)c(=O)c4c3C)CC2)c1 12290268 AHBDJAXKKLATAS-UHFFFAOYSA-N 397.500 2.736 0 40 GFAB O=C1CCCN1c1ccc([C@@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1 12292124 OYNXXAGSKLHTAO-NRFANRHFSA-N 398.478 2.970 0 40 GFAB COc1ccc(OC)c(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)c1 13547835 DWPWBLJHDZSTRV-GZTJUZNOSA-N 379.441 2.691 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 13612201 AHCISBOMHKCUCE-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2)cc1C 16692200 LDHYTCTWPKEKPU-MRXNPFEDSA-N 390.505 2.892 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 19085447 GUBDRKUCMVYJDG-GOSISDBHSA-N 395.507 2.737 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19209083 UHHOZHBNHLXTDL-XQQXVUDOSA-N 392.455 2.685 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 19289019 FPWOIJDSOKLHII-UHFFFAOYSA-N 393.466 2.508 0 40 GFAB C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccnn1Cc1ccc2c(c1)OCO2 19457406 QZYLSYSBMWXPGT-GFCCVEGCSA-N 387.827 2.785 0 40 GFAB C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 6295369 RKJMSJQTNLEVCM-BOPFTXTBSA-N 396.424 2.644 0 40 GFAB COc1cccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1 12188455 NSXJUJBHBISQLA-NRFANRHFSA-N 386.467 2.995 0 40 GFAB Cc1nc(O)cc([C@@H]2CN(S(=O)(=O)C(C)C)C[C@H]2c2ccccc2F)n1 12337957 COISYHMBLKGJAQ-LSDHHAIUSA-N 379.457 2.551 0 40 GFAB CCOc1cc(CN2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)ccc1OC 19531902 GHWLTUXBSRXEEV-QGZVFWFLSA-N 398.507 2.767 0 40 GFAB COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 15363113 QVOGAGFTJBWVGB-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB NCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 1848354872 CLEUJTWPJIEZEW-NJDAHSKKSA-N 384.476 2.505 0 40 GFAB COc1ccc(N2C(=O)N(c3cc(C)cc(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4393706 OCLZQFYWBOLKDG-OALUTQOASA-N 386.473 2.924 0 40 GFAB CN(C)c1nc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2s1 7512919 HGJJQXIUXVKGPY-UHFFFAOYSA-N 381.413 2.564 0 40 GFAB O=C(NC1CC1)c1ccc(Nc2nn3c(=O)c4ccccc4nc3s2)cc1 32952109 YHSGYOFLLRRHDW-UHFFFAOYSA-N 377.429 2.940 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4ccc5c(c4)CCC5)C(=O)[C@@H]32)c1 101262581 SPRBHJYLYALAMD-RBUKOAKNSA-N 392.415 2.690 0 40 GFAB O=C([C@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCC(F)(F)CC1 2086884769 WTVWYEJXGFQQKW-LLVKDONJSA-N 379.329 2.563 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679722 OKNWBTNROPOPHF-ZBFHGGJFSA-N 398.488 2.824 0 40 GFAB Cc1ccc(-c2cc(CNC(=O)C[C@H]3CSc4nc(C)cc(=O)n43)no2)cc1 38752712 SLDHSWSKZUNJLZ-INIZCTEOSA-N 396.472 2.868 0 40 GFAB COc1ccc(Cl)cc1C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575613950 YSNYUHRYZICRBQ-UHFFFAOYSA-N 399.831 2.871 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1c3c(nn1-c1ccccc1)CCC3)CS2 40023507 VOGZNZCDEWKBPR-OXJNMPFZSA-N 382.489 2.754 0 40 GFAB COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 630835 WVUZSSPFRLUDDP-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB C/C(Nc1ccc(C(=O)O)cc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 1249669 AZTHLLPOPSFZDP-FOWTUZBSSA-N 379.372 2.662 0 40 GFAB Cc1c(CCC(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)oc2c(C)c(O)ccc12 2107339 VGKHXNSUOACOBC-IBGZPJMESA-N 395.411 2.990 0 40 GFAB biogenic COCCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21 3386376 METZWNTVKWCBSB-UHFFFAOYSA-N 390.490 2.574 0 40 GFAB CC(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccco1 4036099 OESGCGZECSGMQE-MRXNPFEDSA-N 375.450 2.985 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2OC)C[S@](=O)C3)cc1 4106108 FVIXQGJTUQLBCN-MUUNZHRXSA-N 397.456 2.904 0 40 GFAB COCCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)OC(C)C 4161363 QPQHWBHHACLXPO-UHFFFAOYSA-N 382.461 2.719 0 40 GFAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 4304832 RIQMFFNBHQZLIJ-UHFFFAOYSA-N 383.473 2.809 0 40 GFAB COc1ccccc1-n1ccnc(SCC(=O)NCc2ccc(C)cc2)c1=O 4853150 RFTATMJSZKYVDS-UHFFFAOYSA-N 395.484 2.958 0 40 GFAB CC[C@]1(c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CCC(=O)NC1=O 5260006 HYVMCKRMBIDPHO-HXUWFJFHSA-N 386.473 2.713 0 40 GFAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 5298734 VJFPUNNELAYUCE-GFCCVEGCSA-N 397.547 2.875 0 40 GFAB COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 5438221 XYGMPAMNZBRMTP-UHFFFAOYSA-N 388.493 2.648 0 40 GFAB O=C(COc1ccc(Br)cc1)NC[C@H]1COc2ccccc2O1 5631750 ZEGBUCUJCHQCAA-AWEZNQCLSA-N 378.222 2.784 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 6824070 ISGKUAFYIORCLO-LLVKDONJSA-N 383.267 2.755 0 40 GFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 6849250 KXVQHUQCQXVXTR-QFIPXVFZSA-N 395.459 2.665 0 40 GFAB COc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(OC)cc1Cl 6936646 XANBAUKQZHEGNG-LLVKDONJSA-N 378.812 2.937 0 40 GFAB CCN1C(=O)N/C(=C/c2cc(Br)cc(Br)c2O)C1=O 6951299 OEZOUHQHVXEROU-RUDMXATFSA-N 390.031 2.830 0 40 GFAB Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl 7957237 BFFICJNRAYASGE-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(Cl)ccc1N1CCOCC1 8024152 KFWWFCSHLOCPGJ-UHFFFAOYSA-N 398.850 2.525 0 40 GFAB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1C 8089878 DTULYDVHABJEAR-RVDMUPIBSA-N 383.473 2.965 0 40 GFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1 8289917 MYYJNTKXTCZKSC-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB CCn1ccnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 8709085 BLIGJIQHRJTYEZ-CYBMUJFWSA-N 396.538 2.709 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1 9239018 ZCWNEWOYAGSMCD-DLBZAZTESA-N 399.476 2.654 0 40 GFAB Cc1ccccc1NC(=O)CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2 10255255 PFXDCOUNOKBJKS-OAHLLOKOSA-N 399.516 2.950 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 10669177 NMAWYVSMJQSVMJ-UHFFFAOYSA-N 390.461 2.531 0 40 GFAB COc1ccc2c(c1)s/c(=N/C(=O)CCS(=O)(=O)c1ccccc1)n2C 12063368 FHGXDZJLTXLJTO-VHEBQXMUSA-N 390.486 2.540 0 40 GFAB CCOC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CCN(CC(C)=O)CC1 12157108 ZYOGXUNXTOVPBA-INIZCTEOSA-N 390.455 2.943 0 40 GFAB CCOc1ccc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)cc1OC 12222200 FWGIEEMBGAYNQQ-UHFFFAOYSA-N 383.496 2.625 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccccc4F)CC3)ccc21 12238819 MZENJVZAGCLQGN-UHFFFAOYSA-N 376.409 2.721 0 40 GFAB CC(C)CN1[C@H](Cc2ccc3c(c2)OCO3)[C@@H](O)c2ccccc2S1(=O)=O 12389765 QNCNOGSTSPIXOJ-UZLBHIALSA-N 389.473 2.720 0 40 GFAB CC(=O)c1ccc(N2CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)cc1 12514354 UMWNYEZFOBFEFB-UHFFFAOYSA-N 378.476 2.745 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 12918325 QSPMCUAHRDTWIQ-NUJGCVRESA-N 395.521 2.785 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 13110444 LNFVUIQBFNNQFQ-UHFFFAOYSA-N 380.416 2.548 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]2C(=O)N1C1CCCCC1 16010410 NOSACQOJUBBLDO-ZFWWWQNUSA-N 377.238 2.870 0 40 GFAB O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(I)cc1 17083367 DMMDDOOIGXKYQU-INIZCTEOSA-N 393.180 2.704 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)c1ccc(F)cc1F 18200710 SGELJNBEWXHESK-UHFFFAOYSA-N 390.386 2.836 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1F 18237347 IWGFEHALLVCEFP-LJQANCHMSA-N 394.406 2.763 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1ncc[nH]1 19017507 UVGKPQPSFJDVHF-OTWHNJEPSA-N 384.455 2.948 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)ncc2C1 19018235 HSEJKVHHQOGXIZ-IBGZPJMESA-N 382.439 2.888 0 40 GFAB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1cccc2nsnc12 19078045 DJPQSDXAEJUZGR-UHFFFAOYSA-N 382.474 2.999 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)c4ccc(C)s4)CC3)ncc2C1 19216879 HXKOSNAEKSURAG-UHFFFAOYSA-N 384.505 2.771 0 40 GFAB O=C(CN1CCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19369309 MLLHJOSMVFRASU-LJQANCHMSA-N 380.492 2.533 0 40 GFAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(Cc2cnc(C(C)C)nc2)C1 19454022 JPECOEIDWKJVOE-JOCHJYFZSA-N 380.492 2.929 0 40 GFAB COc1ccccc1/C=C/CN1CCc2c(O)nc(-c3cnccn3)nc2C1 19568554 FQEAYEYBATVYHU-GQCTYLIASA-N 375.432 2.719 0 40 GFAB CC(=O)N1CCCC[C@H]1c1nc2c(c(NCCc3ccccn3)n1)CCN(C)C2 19708653 KPZLGLYORJWFNB-FQEVSTJZSA-N 394.523 2.588 0 40 GFAB O=C(Nc1cccc(Cn2cncn2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718883 XFQGQKOBAOZZIG-HNNXBMFYSA-N 395.850 2.971 0 40 GFAB COc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 20244612 UOYAGMIFNOBGBQ-UHFFFAOYSA-N 391.493 2.564 0 40 GFAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1 21005106 ZKBCSVAKBZPJTM-UHFFFAOYSA-N 384.501 2.894 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N(C)CCOc1cccc(Cl)c1 23404043 NJURNOKWXDCPTM-UHFFFAOYSA-N 389.882 2.888 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)NC2(CCCCCC2)C1=O 23718930 FCMLNRMVUWOHMD-UHFFFAOYSA-N 381.480 2.906 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCc1nc(-c2ccccc2)no1 24659982 BQUAERPOHRSFCK-MRXNPFEDSA-N 379.416 2.968 0 40 GFAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCCCOc2ccc(F)cc2)c1 24782005 UQICFDSPMAMCNX-UHFFFAOYSA-N 387.816 2.752 0 40 GFAB CCCCn1c(N)c(N(Cc2nc3ccccc3o2)CC(C)C)c(=O)[nH]c1=O 27322991 NUGNJLYVQKKHDL-UHFFFAOYSA-N 385.468 2.723 0 40 GFAB NC(=O)CCN(C(=O)CN1CCC[C@@H]1c1cccs1)c1ccc(F)cc1 27357809 GAYWGQNCSYIFRC-MRXNPFEDSA-N 375.469 2.933 0 40 GFAB Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 28054535 XZHFNGIQCNOVPS-UHFFFAOYSA-N 379.503 2.752 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 28207915 IYLRVQVKPDNHQH-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 30573028 PGVUWCLIBMXBGC-SFHVURJKSA-N 393.487 2.705 0 40 GFAB C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NCc1ccc(Cl)cc1 32776092 LJHKOXNHWCNWRB-LBPRGKRZSA-N 395.864 2.605 0 40 GFAB COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)s1 36360833 XKMVKINQKLQNMH-UHFFFAOYSA-N 391.380 2.608 0 40 GFAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl 36585035 KYPHERRNSLOWRX-PSLIRLAXSA-N 397.262 2.935 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 38772992 FLPAGPNJSWQHJE-AWEZNQCLSA-N 376.478 2.972 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1cccnc1-n1cncn1 40108937 XIYWVCJOCMMPHO-UHFFFAOYSA-N 380.433 2.546 0 40 GFAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116781 SOUQEFWHOSDMPN-KRWDZBQOSA-N 385.386 2.777 0 40 GFAB CC(C)NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12 40485243 NXTBKZCUJKEQCR-UHFFFAOYSA-N 378.407 2.980 0 40 GFAB COc1cc(CN(C)Cc2cc(=O)n3nc(C)sc3n2)ccc1OC(F)F 43272988 XOYOJBLTNLXVOY-UHFFFAOYSA-N 396.419 2.701 0 40 GFAB Cc1c(Br)c2ccccc2n1CC(=O)NCCNc1ncccn1 48356451 ISFZELRLLHGKOI-UHFFFAOYSA-N 388.269 2.731 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(NCCn3c(=O)oc4ccccc43)cc2)C[C@@H](C)O1 55895081 CAORCVMDUJAUGP-IYBDPMFKSA-N 395.459 2.956 0 40 GFAB CN(CCOc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1 57296955 NSIBFVYYDZBGGH-UHFFFAOYSA-N 388.265 2.968 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 57881267 GRPUFCSNVUNNHS-UHFFFAOYSA-N 380.388 2.585 0 40 GFAB Cc1cccc(NC(=O)CCNC(=O)Cc2ccc(Br)cc2)n1 58183853 JMEAQJZVKCPOHP-UHFFFAOYSA-N 376.254 2.840 0 40 GFAB COc1ccc(-c2csc3ncc(C(=O)NCc4ccccn4)c(=O)n23)cc1 61719618 XRXFKUPMNHVHIV-UHFFFAOYSA-N 392.440 2.757 0 40 GFAB CCN(C)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 65489607 CQBDIYPQMHJJRH-CQSZACIVSA-N 381.432 2.863 0 40 GFAB O=C(Cn1cccn1)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67804478 SWZZIFJNSIXZFG-UHFFFAOYSA-N 384.823 2.725 0 40 GFAB CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)[C@H]1C(=O)O 71284874 LZBLDEJBRXMYHI-MSOLQXFVSA-N 380.444 2.954 0 40 GFAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CCCS(=O)(=O)c1ccccc1)C2=O 71819406 RLVQVPDRFIKRMW-HUUCEWRRSA-N 378.494 2.597 0 40 GFAB CC(=O)[C@H]1CC(C(=O)N(C)Cc2c(C)nc3sccn23)=NN1c1ccccc1 78752368 RLDJMYJVBWWATG-QGZVFWFLSA-N 395.488 2.887 0 40 GFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C 84098867 QJJLXXYZZMLSRU-NOLJZWGESA-N 388.489 2.649 0 40 GFAB CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NCc1cccnc1 89943628 BREKYPJILGGKNC-KRWDZBQOSA-N 375.494 2.750 0 40 GFAB CN1CC[C@@H](NC(=O)c2ccccc2S(C)(=O)=O)[C@@H]1c1ccc(F)c(F)c1 95449228 GUVSDUWOUDTMBS-AEFFLSMTSA-N 394.443 2.544 0 40 GFAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1ccc(F)cc1)CC2 96050128 GNCGXKYBANIVPD-UHFFFAOYSA-N 382.483 2.530 0 40 GFAB Cc1cc(C)cc(C(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)c1 96238098 QXNJICYLEGRKMG-OAQYLSRUSA-N 383.517 2.928 0 40 GFAB CC(C)NC(=O)N1CCc2cc(C(=O)NCC3CC3)c(NC(C)C)nc2CC1 96260468 YBEHRSHEXFHXJU-UHFFFAOYSA-N 387.528 2.560 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 100398450 YEFCTMCIJSAHED-RLUOWVSXSA-N 377.227 2.691 0 40 GFAB COCC(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 100753419 UPWWUKRFPBCYCC-RDTXWAMCSA-N 378.432 2.640 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 100801110 OFDYCTCARALERY-YPSWNZPLSA-N 390.439 2.678 0 40 GFAB CCOC(=O)CN1/C(=C(/NC(=O)c2ccccc2)C(=O)O)Sc2ccccc21 101426448 MORHLIJVOVSMQD-ZPHPHTNESA-N 398.440 2.846 0 40 GFAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)[C@H]2CCCN2C1=O)c1ccccc1 105767240 WAIAOBRMJKJMLD-HMXCVIKNSA-N 394.471 2.889 0 40 GFAB Cc1cc(C)cc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 113958879 HDNXMKATRMJLHE-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB N[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218650629 GPGFIWGTIGBEPS-IJEWVQPXSA-N 386.256 2.715 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)cc2)ccc1OC 222923035 QOCDWZVVOVAGBV-UHFFFAOYSA-N 380.441 2.799 0 40 GFAB COCc1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 223674476 POGOPXYWVRRBQB-UHFFFAOYSA-N 392.477 2.555 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)NCC2CCCCC2)Oc2ccc(Cl)cc21 224480207 OUBHPZFOXMEKMT-INIZCTEOSA-N 386.901 2.564 0 40 GFAB CCc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC 225015824 SSVCTIIRZOPVFJ-UHFFFAOYSA-N 376.478 2.895 0 40 GFAB COCc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1 225187672 UWMLOITWEAZBIN-UHFFFAOYSA-N 376.478 2.542 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1N1C(=O)CCC1=O 225376478 YNICSXWRAGYLQK-UHFFFAOYSA-N 394.493 2.740 0 40 GFAB S=C(NC[C@H]1CCCO1)Nc1nc(Cl)cc(Sc2ncccn2)n1 225910916 SUPUPLBWCSYDAN-SECBINFHSA-N 382.902 2.537 0 40 GFAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccc(C(F)(F)F)nc1 238841535 HVEYAQJPPNJIQD-UHFFFAOYSA-N 379.298 2.946 0 40 GFAB COc1ncccc1C(=O)N1CCO[C@@H](c2cccc(-c3c(C)noc3C)n2)C1 257217067 CXGPQKOAAHCCQN-GOSISDBHSA-N 394.431 2.971 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCC(F)(F)F)[C@@H]1c1ccc(OC)cc1OC 257221680 DQBPKUPYHHXSIJ-CJNGLKHVSA-N 388.386 2.682 0 40 GFAB COCCC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@H]2C)CC1 257244935 INKFNJRBPNHBTD-GASCZTMLSA-N 376.501 2.555 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3cn(C)cn3)CC2)n1 257262335 LKZJZPCNRBPAMW-UHFFFAOYSA-N 380.452 2.810 0 40 GFAB CC[C@H](C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C 537194729 DKTQJFGTLQLSLZ-LBPRGKRZSA-N 379.486 2.527 0 40 GFAB C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N[C@H]1CCCOc2ccccc21 552066718 MTODYMWUFFSZTP-WVBUVRCRSA-N 394.471 2.833 0 40 GFAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)c2ncnc(C)c2C)CC3)c1 585110334 GWXXWOHMHKRKQI-UHFFFAOYSA-N 391.475 2.871 0 40 GFAB Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc(N3C(=O)CCNC3=O)c1)O2 585140091 JSXFREOPRJTZRV-SFHVURJKSA-N 379.416 2.774 0 40 GFAB CCOc1cc(NC2CCN(C(=O)c3nc4cnccc4s3)CC2)ncn1 613570446 BEMSEWLRHSXTQF-UHFFFAOYSA-N 384.465 2.597 0 40 GFAB Cc1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1NC(=O)CN1CCCCC1 649465868 QEWPRBXSGZRTBW-UHFFFAOYSA-N 396.447 2.765 0 40 GFAB Cn1cc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(C(F)(F)F)n1 680844233 AHJKBVFJXXGQPW-ZDUSSCGKSA-N 381.358 2.534 0 40 GFAB O=c1ccc(C2CC2)nn1C1CCN(c2ncc(Br)cn2)CC1 1775965671 JBSQOBVYPQSHJH-UHFFFAOYSA-N 376.258 2.515 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](COc3ccncc3)C2)cc1F 1775971047 MCPHIVCXYWQFDY-AWEZNQCLSA-N 380.441 2.709 0 40 GFAB Cc1ccc(OC[C@H]2CCN(S(=O)(=O)Cc3ccccc3Cl)C2)nn1 1888888246 VROJHFNVDGHBPS-AWEZNQCLSA-N 381.885 2.669 0 40 GFAB Cc1c(Cl)cccc1C(=O)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 2055719497 VYZMDXFDYWTAHU-JCGIZDLHSA-N 392.883 2.822 0 40 GFAB COCCOC(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C)CC1 2056226384 QDERWVMUTGYAOE-MRXNPFEDSA-N 395.525 2.941 0 40 GFAB Cc1cc(C)n(Cc2cccc(CNC(=O)c3cccc(S(C)(=O)=O)c3)c2)n1 58441257 PQKDLMJYVYDKOB-UHFFFAOYSA-N 397.500 2.882 0 40 GFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 100765790 VFAYVFVUCGRBEL-FHWLQOOXSA-N 397.862 2.884 0 40 GFAB CC(C)OCCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 6344548 ADBVLDRSBCUNGU-UHFFFAOYSA-N 397.324 2.691 0 40 GFAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)CC1 20671342 HTGIJWLIQNUYER-KRWDZBQOSA-N 394.475 2.976 0 40 GFAB Cc1nc2cc([C@H]3CCN(C(C)C)C3)nn2c(O)c1CCC(=O)N1CCCCC1 100685947 MWXYOWIDUHUCGZ-KRWDZBQOSA-N 399.539 2.886 0 40 GFAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 101261768 PXCIIUWMNFDGHA-RLFDGXBXSA-N 378.450 2.907 0 40 GFAB CC(C)(C)C(=O)COC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 102089571 GQKLAOLEABBPNI-ZMYQUIFSSA-N 387.476 2.511 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cnc3ccccc3n2)n1 8157230 QKDOFFWZNVEDKI-UHFFFAOYSA-N 387.403 2.806 0 40 GFAB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3F)nc21 36617205 ALWTXHZQKYUFEP-UHFFFAOYSA-N 375.381 2.605 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccc(Cl)cc1Cl 102698193 QOAJZWQDDWDHND-OKILXGFUSA-N 381.259 2.603 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCc2cc(Cl)cc3c2OCOC3)cc1 11512664 BRWSBAKCHYQKOM-UHFFFAOYSA-N 375.808 2.988 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1cccc2cccnc12 100279898 JNZQRBWGCFZPOE-CRODYANQSA-N 388.423 2.583 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)CCc1nc2ccccc2s1 2625233 SPSXWZIALXPSFM-UHFFFAOYSA-N 398.440 2.737 0 40 GFAB CC(=O)Nc1ccc(C2=C[C@@H](c3ccco3)n3nc(CCCO)nc3N2)cc1 100892638 UFZXWAYNIGVKAR-KRWDZBQOSA-N 379.420 2.810 0 40 GFAB Cc1nnsc1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 11913963 GFVBWJMMMDHEPP-UHFFFAOYSA-N 377.476 2.925 0 40 GFAB CC1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccco2)CC1 11999474 FUXHDFFYAHIOAT-INIZCTEOSA-N 392.477 2.760 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@@H](C2)N3Cc2cc(F)ccc2F)n1 100146486 OFWNTOTYPDBNLO-ROUUACIJSA-N 389.446 2.778 0 40 GFAB O=S(=O)(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCOCC1 987831 ZNGNXOGTISSBKQ-UHFFFAOYSA-N 387.383 2.865 0 40 GFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(NC(=O)NC2CC2)c1 42676784 QPEVTCKADGFRII-UHFFFAOYSA-N 389.433 2.778 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1F 54796332 OYRZDNLGQIKBJA-LIRRHRJNSA-N 383.485 2.991 0 40 GFAB CCOc1cc2c(cc1CNC(=O)Cc1n[nH]c(=O)c3ccccc13)O[C@H](C)C2 24179770 WRIYPQARCAPXQV-CYBMUJFWSA-N 393.443 2.504 0 40 GFAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7381972 QWVUTMXVEIKFEB-UHFFFAOYSA-N 398.481 2.719 0 40 GFAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCS(=O)(=O)C2CCCC2)C1 106135134 FKQGLFGRPLCIQQ-SJLPKXTDSA-N 378.538 2.686 0 40 GFAB Cc1ccc2nc(CS(=O)(=O)Cc3ccccc3OC(C)C)cc(=O)n2c1 55203554 CZSGEQMLPYRHFA-UHFFFAOYSA-N 386.473 2.905 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1NS(C)(=O)=O 24890042 YRWNJIJFZDVHEC-LJQANCHMSA-N 399.472 2.961 0 40 GFAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 57669948 FSAJWXQZFCPHEF-MRXNPFEDSA-N 390.919 2.758 0 40 GFAB Cc1ccc(C)c(OC2CCN(C(=O)c3cccnc3-n3cncn3)CC2)c1 55709291 XIBXUVCSXJPVTH-UHFFFAOYSA-N 377.448 2.963 0 40 GFAB O=C(NC[C@H]1COCCO1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 55848273 VUPPEMTYKSDTBG-INIZCTEOSA-N 389.883 2.940 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 25480792 IWANOJPEDGFCGF-YRNVUSSQSA-N 377.488 2.582 0 40 GFAB O=C(Nc1ccc(F)cc1F)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 107147287 CNQXGNJBYGZNMX-BEFAXECRSA-N 375.419 2.969 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1 12323886 LEYFMFHRFMBJOG-UHFFFAOYSA-N 387.443 2.748 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)cc1F 107206785 ISCKHAZGMTYILT-UHFFFAOYSA-N 396.422 2.842 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 7418439 KSOZWNOIOJTUGG-ZDUSSCGKSA-N 384.432 2.818 0 40 GFAB Cc1ccc(CN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C(C)C)o1 47423866 CWPYUWOIULCYBY-UHFFFAOYSA-N 375.469 2.970 0 40 GFAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc(Cl)ccc3F)nnc12 12556165 YSDMGAHPCKAVKX-UHFFFAOYSA-N 386.770 2.731 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2I)N1 3191217 ZIEFQHVDLKTUHH-ZDUSSCGKSA-N 389.200 2.737 0 40 GFAB O=C(NC1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1)c1ccc(F)cc1 26650453 SZSIMDBQXKJNCF-UHFFFAOYSA-N 399.253 2.541 0 40 GFAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccccc1Cl 3318001 GYFWDTXLCHVOMG-UHFFFAOYSA-N 383.629 2.971 0 40 GFAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)c2ccccc2Cl)c1 3386234 TYVIDHXQNCGPLF-UHFFFAOYSA-N 387.852 2.673 0 40 GFAB O=C(NCCCN1CCOCC1)c1ccc(CN2CCc3ccccc32)cc1 116107679 IMRSHYPOGXZGHN-UHFFFAOYSA-N 379.504 2.701 0 40 GFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCC(=O)CC2)c1 7654682 ITMGOKWQXBMGHE-OAHLLOKOSA-N 398.484 2.632 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CCNS(=O)(=O)c2ccccc2)c1 48275174 ZAKHEFITHKLGNO-IBGZPJMESA-N 390.505 2.819 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1)NCCOc1ccc(C(F)(F)F)cc1 48375294 ISVQVELNCJAIOF-UHFFFAOYSA-N 384.329 2.770 0 40 GFAB CCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)C1 62582019 MXILSTMWZZLWHT-RDJZCZTQSA-N 396.553 2.682 0 40 GFAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(-n2cncn2)cc1 12904859 HJDCOROZVHRRNL-INIZCTEOSA-N 389.459 2.881 0 40 GFAB CCCN(CC(=O)N1CCc2ccccc21)Cc1nc2ccsc2c(=O)[nH]1 12913461 PIBQMBHAMZKJHR-UHFFFAOYSA-N 382.489 2.786 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)COc2ccc(F)cc2)ccc1Cl 12908215 FBEHSBBAVSSFRF-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB COc1cccc(-c2nc(C(=O)NCc3nnc4ccccn34)cs2)c1OC 13020433 FQEXWUQSEYTUHE-UHFFFAOYSA-N 395.444 2.800 0 40 GFAB COC(=O)c1sccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 13005128 XDPOMRUUMINKIO-UHFFFAOYSA-N 380.809 2.552 0 40 GFAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccc2c(c1)OCCO2 13122161 BMVQZAWPBOEBDR-UHFFFAOYSA-N 385.401 2.944 0 40 GFAB Cc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 13552929 CJTOZHLFNNPZOU-HNNXBMFYSA-N 382.439 2.539 0 40 GFAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 13510604 NTLGEBKONYGIQW-JVSBHGNQSA-N 395.455 3.000 0 40 GFAB COc1ccc2c(c1)CCc1cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)sc1-2 8395020 YDHSLQZPBOAFGG-LJQANCHMSA-N 391.514 2.829 0 40 GFAB O=C(CSc1nnc2ccccn12)NC(=O)NC12CC3CC(CC(C3)C1)C2 5212881 PCLNWLNCCTVMRB-UHFFFAOYSA-N 385.493 2.616 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)CSc3ccccc32)cc1C 6786813 NCCQYNLXPFZGCP-UHFFFAOYSA-N 384.457 2.924 0 40 GFAB O=C1Cc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccncc3)ccc2N1 9118513 YPYDCVYERQEKCQ-FQEVSTJZSA-N 379.441 2.644 0 40 GFAB CCc1c(C)nc2ccccc2c1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 96006631 HEEVWDQOPZZOEI-OAQYLSRUSA-N 380.448 2.765 0 40 GFAB O=C(NCc1cccc(C(F)(F)F)c1)c1cn(C[C@@H](O)c2ccccc2)nn1 77197189 UMOWLFTUUASUNB-QGZVFWFLSA-N 390.365 2.961 0 40 GFAB CC[C@@](C)(CO)NC(=O)Nc1cc(NC(=O)N[C@](C)(CC)CO)ccc1C 72289102 MLXNADXKIGOFHN-MOPGFXCFSA-N 380.489 2.560 0 40 GFAB O=C(Nc1cccc2cccnc12)N1CCN(C(=O)c2cccc(O)c2)CC1 84493946 CRMNYOMVFCRQSP-UHFFFAOYSA-N 376.416 2.930 0 40 GFAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2noc(O)n2)c1 95448213 ZHOXUMQDOAXMFM-UHFFFAOYSA-N 391.387 2.567 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)c1 22229601 NSAKOBRXOOSXAC-QGZVFWFLSA-N 380.510 2.606 0 40 GFAB CC[C@@H](C(=O)Nc1nnc(CCn2nc(C)cc2C)s1)n1nc(C)cc1C 36752571 QOJMQEAXUNFTJW-HNNXBMFYSA-N 387.513 2.997 0 40 GFAB NC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 36397555 QGAGVJQFILOQLY-UHFFFAOYSA-N 399.399 2.923 0 40 GFAB C[C@@H](CC(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)n1cncn1 72335517 CHNMSSYSMGWNGS-ZDUSSCGKSA-N 383.477 2.960 0 40 GFAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 223893836 BRYMUTDSOSZZFZ-INIZCTEOSA-N 392.496 2.956 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1)S(C)(=O)=O 224014291 VOIJLCUUKHREFB-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)no1 49027023 LTEBYCMQAFZKCH-UHFFFAOYSA-N 385.449 2.926 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C 224008487 ZKVOWZJLSLAILK-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)s1 223932910 VVLZOPAKEKKKTR-UHFFFAOYSA-N 382.467 2.619 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(F)cc1 96520142 KAGZJDPITWKEHS-NXEZZACHSA-N 392.617 2.621 0 40 GFAB CCc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237903 CDUHEEAXCWRXRN-QHCPKHFHSA-N 395.478 2.951 0 40 GFAB Cc1cc(C)nc(N2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)n1 257339209 ZASKLVUGEJWDPH-FQEVSTJZSA-N 389.459 2.832 0 40 GFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)c1C 256048079 QOZNMHOSCZOTPN-UHFFFAOYSA-N 391.475 2.905 0 40 GFAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257343808 ZUMQXKCVBKBTGR-LJQANCHMSA-N 378.432 2.891 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 608368354 PPZMOFSYXAGXCE-OFQRWUPVSA-N 388.493 2.532 0 40 GFAB CN1CCC(N2CC[C@@H](N(C)C(=O)c3ccc4nc(C(F)F)[nH]c4c3)C2)CC1 601479003 RGSSOBMYNHEZAC-OAHLLOKOSA-N 391.466 2.741 0 40 GFAB O=C([C@@H]1OCC[C@@H]1Cn1cccn1)N1CCN(C2CC2)c2ccc(Cl)cc21 622847520 YIAFHWAUHNHCMG-AUUYWEPGSA-N 386.883 2.957 0 40 GFAB Cc1cnc(Nc2nccnc2C2CCN(C(=O)/C=C/c3cnc[nH]3)CC2)s1 585291108 KOMLQQDHCUEZLN-NSCUHMNNSA-N 395.492 3.128 0 40 GFAB O=C(COc1ccccc1F)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615122628 QAZLUUNAYGCYAS-UHFFFAOYSA-N 398.434 2.629 0 40 GFAB COc1ccc(OC)c(C2=NO[C@@]3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c1 5203285 VQYNAKDRKYDBIX-OAQYLSRUSA-N 380.400 2.839 0 40 GFAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 13633167 OQLHQWURBYOGOQ-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1OC 14162350 JBQVQMBOZQNDNE-INIZCTEOSA-N 392.411 2.794 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1OC 14253876 QZPCYJYDCCYHBW-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COC(=O)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 17823412 HFJKDTBIAOUSBU-WHSGIHJSSA-N 379.456 2.832 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 19132712 AXCJTLDZKQPVEQ-ZWKOTPCHSA-N 394.519 2.913 0 40 GFAB Cc1cccnc1-n1cccc1CN(CCN1CCOCC1)Cc1cccnc1 19237892 AQTCCHDZSHNYGB-UHFFFAOYSA-N 391.519 2.910 0 40 GFAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)c1cscn1 19344073 GKZANNPDCSLZPW-UHFFFAOYSA-N 382.474 2.955 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)NCC2 19550704 BABRKXAUXXTHBB-HXUWFJFHSA-N 380.400 2.509 0 40 GFAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cnc4sc(C)cn4c3=O)n2)c1 19660202 PFNUFAFGIRAXRU-GFCCVEGCSA-N 395.444 2.914 0 40 GFAB Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766654 URDJFQZJZCLZKR-GOSISDBHSA-N 397.454 2.592 0 40 GFAB O=S(=O)(c1ccc2nc(O)oc2c1)N1CCN(C/C=C/c2ccccc2)CC1 19936464 OXNBKQPSYFSCBL-QPJJXVBHSA-N 399.472 2.553 0 40 GFAB COc1cccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c1OC 6326298 DEYHEWWWKVBYSI-ZSOIEALJSA-N 378.450 2.512 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)c3ccccc3F)nc2C1 19018999 GDUQPJKHPGXRFN-GOSISDBHSA-N 398.438 2.593 0 40 GFAB C[C@H](OC(=O)CCn1ccc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 7223191 AOVYDHOWMVBGRH-AWEZNQCLSA-N 379.416 2.701 0 40 GFAB Fc1cnc(OC[C@@]23CCC[C@@H]2CN(c2ncc(Br)cn2)C3)nc1 1888852980 FULUQENYWXXFMX-BZNIZROVSA-N 394.248 2.854 0 40 GFAB O=C([C@@H]1COc2ccccc2C1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888876436 MFQFWKUULSSWEG-QAPCUYQASA-N 379.460 2.833 0 40 GFAB COc1cncc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037988728 GGOHVHYPQPCZKO-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839915 FJIHFVWHHSYYEP-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB C[C@@H]1CN(C(=O)/C=C/c2cccs2)C[C@]12CCN(CCN1CCCC1)C2=O 1614936247 XNGMMADMFVZMLF-QDYDYXSASA-N 387.549 2.554 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(F)cc5F)C[C@@H]4C3)n1)CCC2 2087000753 OGRHNRPPSBZLPQ-KBPBESRZSA-N 384.430 2.760 0 40 GFAB COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 9038795 TYWYNBGKTPTBAI-CQSZACIVSA-N 399.447 2.887 0 40 GFAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)s1 9366976 RPCIJOJZJMDVJX-UHFFFAOYSA-N 398.539 2.948 0 40 GFAB CSc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 11791989 BGHRWJZQVBKNTK-UHFFFAOYSA-N 392.506 2.625 0 40 GFAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)NCc3ccccc3Cl)cnc21 12440118 XJGHFJBWTLGIIV-UHFFFAOYSA-N 387.871 2.708 0 40 GFAB C[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)n1nc2c(cc1=O)CCC2 585150508 OPDPCAHLHQKIFQ-NSHDSACASA-N 381.354 2.508 0 40 GFAB C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2nccs2)cc1)C(=O)O 13579277 XRXICBFIPPEIRC-NTMALXAHSA-N 377.447 2.843 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCC(C)C)cc1Cl 20068934 HQLCXLFTJRMCIL-CABCVRRESA-N 395.916 2.780 0 40 GFAB CCOC(=O)[C@H]1[C@H](c2cccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 921355 BDOPAXJBLZPCLB-JKIFEVAISA-N 398.406 2.789 0 40 GFAB COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2sc(=O)[nH]c2S[C@H]1C(=O)OC 106999377 LXGQUFZYANWWRC-CKYFFXLPSA-N 399.877 2.658 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(Cl)cc2)cc1 3573576 KJDBWCCPZROLLR-UHFFFAOYSA-N 380.897 2.628 0 40 GFAB O=C1N[C@@H](c2ccc(O)cc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4279743 JIAMXIWSZJUDBV-SLEUVZQESA-N 386.351 2.558 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 26392244 IYMFIDAOVUPMAK-UHFFFAOYSA-N 384.407 2.789 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)c3cccs3)s2)c1 6818332 JSOGQDLQNKSQDX-UHFFFAOYSA-N 394.503 2.985 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)Cc2cccc3ccccc23)cc1 7100054 QCLPMZGPQZEFSN-UHFFFAOYSA-N 385.441 2.652 0 40 GFAB Cc1cccc(N2C(=O)C[C@H](N3CCN(c4ccccc4F)CC3)C2=O)c1C 101274292 ROIPHXMDIIOLEN-FQEVSTJZSA-N 381.451 2.897 0 40 GFAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)N2CCOCC2)cc1 1994368 UTMCUELJNMUFQQ-UHFFFAOYSA-N 395.411 2.706 0 40 GFAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)[C@@H]1COc2ccccc2O1 3385663 BAOAJVYUMCNINB-INIZCTEOSA-N 394.408 2.792 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)c1C 10219118 YHSBAFSUWMUUPP-QGZVFWFLSA-N 387.480 2.850 0 40 GFAB COc1cc(CN(C)C(=O)N[C@H](C)C(=O)N2CCCCC2)ccc1SC 58264423 QMEVLQXJOOXYIC-CQSZACIVSA-N 379.526 2.960 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)c3ccc4c(c3)OCCO4)C(=O)[C@H]2C)cc1 3323631 IWLSRMPIGTZZKO-CQSZACIVSA-N 380.400 2.806 0 40 GFAB O=C(CN1CC[C@@H]2CCCC[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 36446762 HRCLUERWVYXEJP-IRXDYDNUSA-N 375.538 2.545 0 40 GFAB Cc1c(C(=O)OCC(=O)c2ccc[nH]2)sc2nc3n(c(=O)c12)CCCCC3 11062603 JHPVZOKOFZETTB-UHFFFAOYSA-N 385.445 2.861 0 40 GFAB CCN(CC)CCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2425812 DNPIORVGMXAAGZ-UHFFFAOYSA-N 386.496 2.627 0 40 GFAB biogenic COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC)cc1 2502039 PWWQGVQNLKYHOE-QGZVFWFLSA-N 390.461 2.535 0 40 GFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 2619880 HROFTKGIAZADJI-FQEVSTJZSA-N 385.851 2.732 0 40 GFAB CCc1ccc(OCC(=O)N(CC)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 12787409 MCFADRFAYDXANU-UHFFFAOYSA-N 397.475 2.604 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)cc1OC 26843044 HVGNFJJSGKDXPL-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(NC(=O)c2ccco2)cc1 48355976 IHDZEZCXFYCEHE-KRWDZBQOSA-N 391.431 2.721 0 40 GFAB CC(C)c1ccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 12850079 SVSZNXCUABBODT-OAQYLSRUSA-N 394.471 2.934 0 40 GFAB O=C(NCCc1nnc2n1CCCCC2)c1ccc(NC(=O)c2ccco2)cc1 12920898 VBVUTJOQOSWUHF-UHFFFAOYSA-N 393.447 2.822 0 40 GFAB Cc1nc(/C=C/C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cs1 12984481 CPRDALMEFDTMCI-IWAYRVGRSA-N 376.503 2.681 0 40 GFAB COc1ccc(CN2CCN(C(=O)COc3cccc(C)c3)CC2)c(OC)c1 19235144 DBMXGXBQLLUZPV-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1ccccc1 5274951 WIQUUPQOMDYKFR-GOSISDBHSA-N 381.432 2.807 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 96000188 AONFSVZCJCRMEU-INIZCTEOSA-N 394.479 2.764 0 40 GFAB O=C(NC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc[nH]1 65478421 SQFFYFXDYJVLPW-UHFFFAOYSA-N 379.382 2.997 0 40 GFAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl 5377805 GFJYYUBZPNOMNJ-UWVGGRQHSA-N 381.704 2.756 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)cc1 14168171 BXRLPKSWXSOMCE-UHFFFAOYSA-N 388.474 2.753 0 40 GFAB NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 25710924 WEMINCDDSBPJCL-UHFFFAOYSA-N 387.505 2.713 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(C)C)c1 14795092 MOSRQKLTHULEKL-UHFFFAOYSA-N 381.542 2.703 0 40 GFAB CCc1ccc2c(COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc(=O)oc2c1 5876653 IQAZBBSNNZZUTK-QRWLVFNGSA-N 387.457 2.853 0 40 GFAB COc1ccccc1CCNC(=O)CCCNc1nc(Cl)nc2[nH]cnc12 9485103 WDUOKKMMJWTABQ-UHFFFAOYSA-N 388.859 2.566 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1OC 7218510 CHYCNWOATJTXCP-UHFFFAOYSA-N 393.461 2.686 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CC(=O)Nc3ccccc32)c1 7718142 IZHMSLVHSJGWPI-SFHVURJKSA-N 395.459 2.826 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCNC(=O)Nc1ccccc1 8038245 BWBWSSQSBXNODV-UHFFFAOYSA-N 388.855 2.949 0 40 GFAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CCOc1ccc(Cl)cc1 8532542 QFOQUTIWYVNQBJ-LBPRGKRZSA-N 388.855 2.847 0 40 GFAB Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1cccnc1 8719085 XGBQHFKWFCJFQP-KRWDZBQOSA-N 395.488 2.569 0 40 GFAB O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)NCCCO)c1 97296580 LZORDNZVJUOODD-UHFFFAOYSA-N 391.265 2.743 0 40 GFAB CC(C)n1nnc(-c2ccc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2)n1 85877044 STNZFIIMNWEGQU-RBUKOAKNSA-N 382.512 2.915 0 40 GFAB biogenic C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(F)c1)S(C)(=O)=O 113967327 WYDVGRUCRIDWDP-OLZOCXBDSA-N 382.432 2.997 0 40 GFAB CCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851495 NTHNWXNEQVUQJJ-IBGZPJMESA-N 399.466 2.944 0 40 GFAB CN1CCN(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 38757299 ORXPUAULNONFGI-UHFFFAOYSA-N 390.380 2.980 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 30754605 UOZWTGCOZQDBHB-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)cc1OC 408560237 GHRIMZFGZHWXHC-CQSZACIVSA-N 375.494 2.950 0 40 GFAB CS(=O)(=O)c1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 535823757 MRYZAPCXKJNOBK-UHFFFAOYSA-N 378.519 2.546 0 40 GFAB CCc1nc(S/C(=C\c2ccc(I)o2)C(=O)O)n[nH]1 213407024 QOGIEPSSRDKWAT-ALCCZGGFSA-N 391.190 2.783 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)C2CCCC2)c1 72354829 YKIVBFFZXNNOCJ-QGZVFWFLSA-N 379.464 2.678 0 40 GFAB CCN1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 32579003 YRHBRXCQNOUCJG-UHFFFAOYSA-N 392.459 2.947 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](Cc2cc(Nc3ncc(C)s3)nc(C)n2)C1 72383463 HEHNTCWLIMFOEO-AWEZNQCLSA-N 395.554 2.898 0 40 GFAB O=C1NC2(CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)Oc2ccccc21 72347634 RATMIBXNVCILQW-UHFFFAOYSA-N 395.459 2.630 0 40 GFAB O=C(NCCc1nc[nH]n1)c1cccnc1Oc1cccc(Br)c1 78994189 SCJHFQSVYZRWAP-UHFFFAOYSA-N 388.225 2.727 0 40 GFAB CCn1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1=O 40146288 LLLAVSRCUNQZLP-UHFFFAOYSA-N 386.429 2.687 0 40 GFAB CCc1ccc(N(CC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1 223785709 MPZZWQMOOQIVIB-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CC(C)C(=O)N1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 68185653 WLIDNOWEYMEDTH-IBGZPJMESA-N 389.515 2.755 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 222980934 MTSNHQGYFSCFSN-UHFFFAOYSA-N 395.477 2.850 0 40 GFAB C[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCSCC1 226754837 HJXBQEOTRPWWDJ-JTQLQIEISA-N 384.299 2.679 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCc2onc(COc3cccnc3)c2C1 96260081 DRKVXKMTNYXRNM-UHFFFAOYSA-N 389.408 2.535 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OCC)CC1 95945924 OWQQZHOFCCUTLJ-UHFFFAOYSA-N 384.498 2.672 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc(C)c1 96520185 WFPSLFXQLWYNIQ-QWRGUYRKSA-N 388.654 2.791 0 40 GFAB COC(=O)c1nc(NC(=O)c2ccccc2-n2nnnc2C)sc1C(C)C 96343639 GMGNRNMZMUGIPS-UHFFFAOYSA-N 386.437 2.590 0 40 GFAB CC[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC)cc1 253375489 PYVVQIMJFZIKET-NHQOTNMQSA-N 384.476 2.684 0 40 GFAB COc1ccc(C)cc1NC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 27434933 BKDQYLABIQFGJD-UHFFFAOYSA-N 399.466 2.976 0 40 GFAB O=C1COc2cc(S(=O)(=O)NCc3cc4ccccc4o3)c(Cl)cc2N1 70019905 UNMYHQDQCGCGHT-UHFFFAOYSA-N 392.820 2.896 0 40 GFAB COc1cccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c1 257331241 XRYDTLXEZIHCQZ-JCNLHEQBSA-N 379.464 2.766 0 40 GFAB CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 260914997 CCIJXKPUVVRGDI-RBUKOAKNSA-N 378.538 2.804 0 40 GFAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(-n3cccn3)ccc2C)C1 626534318 FZJQWGVECLBMFH-WSTZPKSXSA-N 383.496 2.944 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)c(C)c1 96025397 IUOXEBKRWPOGSS-KRWDZBQOSA-N 379.503 2.540 0 40 GFAB Cc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c(Cl)c1 96121427 BWJZCWZYVSRTCX-UHFFFAOYSA-N 390.875 2.985 0 40 GFAB Cn1cc(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)c(C2CC2)n1 585114078 BPTVSXUGKULIAB-UHFFFAOYSA-N 391.269 2.795 0 40 GFAB CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2c(c1)OCCO2 84673327 NDIWBIYICJRLLD-GTKHYJCHSA-N 382.254 2.738 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 13116997 VAJCCJJBOYJFHF-IYBDPMFKSA-N 398.459 2.962 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)c1 16847321 RRMKWQRJYBUEMO-UHFFFAOYSA-N 378.494 2.681 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(CCCOc4ccc(C)cc4)C3)ncc2C1 19211022 GMPLNUKTHVXONJ-IBGZPJMESA-N 394.519 2.948 0 40 GFAB Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](n2nc(-c3ccco3)ccc2=O)C1 19287699 XYSOTIJHGHPEFS-WBVHZDCISA-N 395.463 2.508 0 40 GFAB COc1ccccc1C(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1 19698277 KCXRHBBBKIXRSE-IBGZPJMESA-N 380.492 2.786 0 40 GFAB Cc1ccc2cc(C(=O)N3CCc4nnc(C5CCN(C)CC5)n4CC3)[nH]c2c1 19708984 ZQDWIXJWBDWHNY-UHFFFAOYSA-N 392.507 2.576 0 40 GFAB CN1CCC(c2nnc3n2CCN(C(=O)CCCc2ccc(F)cc2)CC3)CC1 19708989 YYPKHDWFYGUREL-UHFFFAOYSA-N 399.514 2.634 0 40 GFAB C[C@@H](NC(=O)CC1CCN(C(=O)c2cn3cccnc3n2)CC1)c1ccccc1 19748552 YQFSBUYSZVDHIR-MRXNPFEDSA-N 391.475 2.849 0 40 GFAB Cc1ncsc1C(=O)N[C@H]1CCCN(C(=O)COc2ccccc2F)CC1 19749117 XARJKAJPVVLPLZ-AWEZNQCLSA-N 391.468 2.781 0 40 GFAB Clc1ccc(CNc2nc(Cl)nc(NCCN3CCOCC3)n2)cc1 19848693 ZPISMALHGPBZSD-UHFFFAOYSA-N 383.283 2.535 0 40 GFAB Cc1nnc(S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)O)[nH]1 8272233 NWDMHSZKYHCQML-JYOAFUTRSA-N 384.211 2.822 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NCC1CCN([C@@H]2CCSC2)CC1 225574300 QXUNITDLXFYMSV-MRXNPFEDSA-N 390.521 2.602 0 40 GFAB O=S(=O)(C1CC1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889006676 NEJHDLNZNGIEMZ-UHFFFAOYSA-N 395.488 2.758 0 40 GFAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)c(C)c1C 21376590 DQKAGSJVHMJXRV-IRXDYDNUSA-N 385.460 2.821 0 40 GFAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)s2)cc1 5965990 IVUNLISODPFOLJ-UHFFFAOYSA-N 375.269 2.671 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541647 KSNXSKXBNFCESO-LAUBAEHRSA-N 384.501 2.994 0 40 GFAB CCOC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 4196064 KPQPVPCXNWMUJO-PMPSAXMXSA-N 393.871 2.937 0 40 GFAB CCCOc1ccccc1-n1c(C)cn2c3c(=O)n(CCC)c(=O)n(C)c3nc12 5252138 OVXLHNZQANKXCO-UHFFFAOYSA-N 395.463 2.646 0 40 GFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cccs3)c2n1 8941898 YCVVZIHFZBHABQ-UHFFFAOYSA-N 376.511 2.860 0 40 GFAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 10233531 YYUAXKXYXAOIGG-LBPRGKRZSA-N 383.427 2.616 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 12123870 IPABUMVAWBDURF-UHFFFAOYSA-N 392.375 2.642 0 40 GFAB COc1ccc(-c2ncnc(N3CC(N(C)c4ccnc(C)n4)C3)c2F)cc1 1775974117 BOYNWJSGRHZAFF-UHFFFAOYSA-N 380.427 2.715 0 40 GFAB O=S(=O)(N1CCCC1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1891361169 HLIIQUQLWDCYQF-UHFFFAOYSA-N 380.901 2.803 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219252838 NDBASVWNTSHOIX-MRXNPFEDSA-N 396.490 2.889 0 40 GFAB Cn1cc([C@H]2CN(C(=O)[C@H]3COc4ccccc4O3)Cc3ccccc32)cn1 575618523 IQQFYCKQJPMTPQ-WIYYLYMNSA-N 375.428 2.734 0 40 GFAB Cc1cc2ncc(C(=O)N[C@@H](CCN3CCCCC3)c3ccccc3)c(N)n2n1 19715598 GCSNRYDEGUJZBB-IBGZPJMESA-N 392.507 2.967 0 40 GFAB CN(CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccccc1 40079698 PYUDCJYXENJHIL-OAHLLOKOSA-N 387.430 2.960 0 40 GFAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c(C)c1 40135450 RDYBGBAHKKZTBC-CQSZACIVSA-N 395.506 2.560 0 40 GFAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 40105097 BASUOFSVTSGSLE-HNNXBMFYSA-N 393.336 2.869 0 40 GFAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3cccc(F)c3)n2)cc1 20718320 RKPNRACVLZZAER-UHFFFAOYSA-N 385.351 2.504 0 40 GFAB CCn1c(N2CCN(C(=O)C(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 20715271 WHYCNJKNFQOHDK-UHFFFAOYSA-N 388.537 2.661 0 40 GFAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccc2c(c1)OCO2 32632799 KBBJWIUDJHXURB-UHFFFAOYSA-N 398.444 2.810 0 40 GFAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102234705 QYFXCDCMMOGUKW-YXWQFLTLSA-N 392.883 2.554 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(=O)[nH]c1=O 32843208 ZRYCOPGMQBAICV-CABCVRRESA-N 390.528 2.900 0 40 GFAB O=C(Nc1ccccc1)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 32845516 QTKPSCRMIJKNQY-UHFFFAOYSA-N 377.400 2.783 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1nc(-c2cccnc2)no1 32901408 XRROWWXXKYJALV-GFCCVEGCSA-N 387.417 2.762 0 40 GFAB COCc1ccccc1NC(=O)C(=O)NCc1cccc(Cn2ccnc2C)c1 41566371 GAMOSPGAOOSJFY-UHFFFAOYSA-N 392.459 2.641 0 40 GFAB COc1ccc(Br)cc1CN(C)CN1C(=O)N[C@@](C)(C2CC2)C1=O 23841917 KTNIZHRNURHCGO-KRWDZBQOSA-N 396.285 2.568 0 40 GFAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(SC)cc1 67286876 SBDDXNPDJZUNFM-KRWDZBQOSA-N 375.494 2.675 0 40 GFAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCN(C)C)cc1 2345743 FXXOLWVBSYRXJX-SILNSSARSA-N 381.476 2.534 0 40 GFAB CCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1 920430 QFFGOVNOARJETF-UHFFFAOYSA-N 382.395 2.831 0 40 GFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)ccc21 10855481 STJGTWMAVVPNQI-CQSZACIVSA-N 378.432 2.581 0 40 GFAB COCCNC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 3222190 PHNDWLJYETYOPH-UHFFFAOYSA-N 391.431 2.541 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1C 11083950 XHJNBWLSHQMWBA-UHFFFAOYSA-N 390.487 2.937 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 4082254 JPIDFRQBAGAXJM-ZXIOEMQNSA-N 386.488 2.703 0 40 GFAB biogenic Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 4218013 JJWNLWDROXQVJY-UHFFFAOYSA-N 386.517 2.755 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 6276317 CAVZIAUAPSBXMW-UHFFFAOYSA-N 386.502 2.955 0 40 GFAB CN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 6343583 COZRRBDAQGPTQU-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 15316511 VROFDQAZERRLBW-QWNPEKBMSA-N 387.530 2.788 0 40 GFAB COc1ccccc1CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32794780 NPTUYTITFOILMB-IBGZPJMESA-N 378.472 2.896 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)cc1Cl 9870359 BHPVUPLXHYOMJW-CYBMUJFWSA-N 392.820 2.866 0 40 GFAB C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCN(CCOc2ccccc2)CC1 22925693 VVZJONJQUQPYNC-LJQANCHMSA-N 396.535 2.776 0 40 GFAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 55407197 SUFUKTFASVRDSI-SFHLNBCPSA-N 385.552 2.704 0 40 GFAB Cc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)cc1 20121152 HUVLRNIARQREMX-HXUWFJFHSA-N 380.471 2.506 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2ccnc2C)nc1 53545897 BFKSPNJRUDDFJE-OAHLLOKOSA-N 399.476 2.659 0 40 GFAB CCCOc1ccc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc1OC 2797130 SVNVDABOCRGTOP-UHFFFAOYSA-N 375.421 2.627 0 40 GFAB Cc1cccc(N(CCCC(=O)NCc2ccncc2)S(C)(=O)=O)c1C 113962206 GYWPGTXVMNHGLD-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB CCN(CC)CCO[C@H]1CCN([C@H](C)C(=O)Nc2cccc3ncccc23)C1 106922859 GMCKXMPOAKRABF-MSOLQXFVSA-N 384.524 2.995 0 40 GFAB CCOc1cc2c(cc1OCC)CN(CN1C(=O)c3cccc(N)c3C1=O)CC2 12514903 VOMWPFDDTXJJKD-UHFFFAOYSA-N 395.459 2.678 0 40 GFAB CC(=O)NCc1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 25590336 FHUJCHYQZKEAIP-UHFFFAOYSA-N 380.444 2.916 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc(-c3cccnc3)cs1)C2=O 12516787 JDHAFYVJSKBLOF-BUXKBTBVSA-N 399.476 2.644 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2 107489963 CVKSBGZUUOHPPP-RFUYNDQBSA-N 397.493 2.672 0 40 GFAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1nnc(-c2ccccn2)s1 47791541 ZNGZJVSIYNVUNI-UHFFFAOYSA-N 383.481 2.591 0 40 GFAB CSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 21524226 JKTOOXVPJUQECK-UHFFFAOYSA-N 376.419 2.939 0 40 GFAB CC(C)Cc1ccc([C@@H](NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 58069284 GBFIFHNBGBWTHU-FPOVZHCZSA-N 394.581 2.817 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCSCC1 2293309 TURYQZSRWRYTPV-LLVKDONJSA-N 379.457 2.860 0 40 GFAB Cc1cccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 12760785 MUHQYPVIRJRXBK-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB COc1ccc2c(CC(=O)Nc3ccc(N4CCN(C)CC4)nc3)coc2c1 12775394 XEPJVKLDVJKYBO-UHFFFAOYSA-N 380.448 2.769 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nn2cnc3ccccc32)c1 12928206 SHYLEIRYYKKDEV-UHFFFAOYSA-N 392.868 2.760 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 12975880 YDTQGSGMKIJZII-UHFFFAOYSA-N 383.372 2.539 0 40 GFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCc2ccccc21 8157189 DYOZOPFYAJDOCG-CYBMUJFWSA-N 376.507 2.810 0 40 GFAB COc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 64988487 BZEWPJYLHPINIW-SFHVURJKSA-N 390.461 2.559 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@H]32)C1=O 5427076 QLTDJNLCFQACAO-HKUYNNGSSA-N 389.455 2.642 0 40 GFAB CC(C)C(NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)C(C)C 113943263 ATXQQAKMWGNJLM-UHFFFAOYSA-N 398.525 2.758 0 40 GFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1 4703948 PAOOBDXLTVKURL-UHFFFAOYSA-N 385.489 2.967 0 40 GFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCc1cccs1)C2=O 23483471 XVAZGUJOSUSNCO-YJYMSZOUSA-N 377.510 2.544 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 67284429 MQCMORMLNSWFFL-UHFFFAOYSA-N 396.426 2.658 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccc(F)c1 18236479 MRVKAHOJYUAZSZ-LJQANCHMSA-N 394.406 2.763 0 40 GFAB CCn1nc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c2ccccc2c1=O 18948766 RTMYMOOXSLBMKA-UHFFFAOYSA-N 387.443 2.874 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(Cn2nc(-c3ccc(F)cc3)oc2=O)n1 9157309 WSCRUHXUSMSFEJ-UHFFFAOYSA-N 393.382 2.510 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCSCC4)ccn3n2)cc1C 67262260 MOYIQHFOVARWTD-UHFFFAOYSA-N 396.516 2.745 0 40 GFAB CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1cc(OC)c(OC)cc1F 72312992 KZCORBGWLLDETQ-UHFFFAOYSA-N 383.397 2.904 0 40 GFAB CCN(CC)CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc23)C1 72309465 GMCKXMPOAKRABF-ZWKOTPCHSA-N 384.524 2.995 0 40 GFAB CC(C)n1c(CCNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2ccccc21 95480356 PHTSAESXPIQIQA-FQEVSTJZSA-N 389.463 2.552 0 40 GFAB CO[C@H](C)c1noc(CCC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 79016253 FUCUOWAZKCCCDG-IUODEOHRSA-N 379.844 2.963 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)c2C)cc1C 408552740 NLDYPOQJPAJRQR-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20495828 GCGYPVCYIZPIQW-UHFFFAOYSA-N 382.869 2.907 0 40 GFAB COCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 22274016 ZFDVUWPLGXBDRI-UHFFFAOYSA-N 390.505 2.651 0 40 GFAB Cc1c(NC(=O)c2cccc3nc(O)oc23)cccc1N1C(=O)N[C@H](C)C1=O 554723621 LZMLJHOBBWSPCQ-SNVBAGLBSA-N 380.360 2.539 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(=O)N1CCOCC1 408604386 MBIUCRZRBUGYMT-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 408590932 HGEQKMVBBOEFBD-CYBMUJFWSA-N 396.896 2.722 0 40 GFAB COc1ccccc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 408614234 ABGALPRNBIHPBE-INIZCTEOSA-N 390.505 2.599 0 40 GFAB CC(=O)Nc1ccccc1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 534333291 ZHDAAJQILPTEFH-UHFFFAOYSA-N 381.476 2.734 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2N[C@@H]1CCOc2c(F)cccc21 556177952 ASMZIVOCYTUGEQ-QZTJIDSGSA-N 376.453 2.964 0 40 GFAB Cc1cc(C)nc(Nc2cc(C)nc(C3CN(C(=O)c4cccnc4)C3)n2)n1 72382485 KOBMIWGFGCMGIZ-UHFFFAOYSA-N 375.436 2.570 0 40 GFAB Cn1ccc(-c2cc(C(=O)NCC(C)(C)N3CCc4ccccc4C3)n[nH]2)c1 557570664 UXTZHGOAEKYBRG-UHFFFAOYSA-N 377.492 2.982 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218653327 UCSAYDBOFVSVBW-LMMKCTJWSA-N 393.892 2.872 0 40 GFAB CC(=O)O[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1 72332792 BNYMWYFDNNGEAG-DZVNLGKHSA-N 382.453 2.795 0 40 GFAB COc1ccc(CNC(=O)c2cc(Cn3cc(-c4ccncc4)cn3)on2)cc1 66088380 JBTZNVNYKMOXHO-UHFFFAOYSA-N 389.415 2.920 0 40 GFAB CC1(C)CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC[S@@]1=O 562662436 SZPOVFGTVOIIOT-MHZLTWQESA-N 393.484 2.966 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2cc(C3CC3)nn2C)CC1 225568967 MUMZXBMEEFYGHR-UHFFFAOYSA-N 390.491 2.660 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222727967 FBHWYQUMYMTDIT-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1F 220085287 STKXKRONMNLMSF-UHFFFAOYSA-N 376.331 2.648 0 40 GFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1nccs1 223566217 IDRISAMKCZZPMF-DLBZAZTESA-N 399.545 2.910 0 40 GFAB O=C(NCc1c(F)cccc1F)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100388 XDXPPMMHXJHWES-UHFFFAOYSA-N 383.280 2.889 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2noc(-c3ccc(C(F)(F)F)cn3)n2)cc1 91694979 GXXZDGLJYBSWDX-UHFFFAOYSA-N 398.366 2.937 0 40 GFAB COCC(=O)N1CCC(c2cc3c(ncn3C(C)C)c(N3CCCC3)n2)CC1 96100003 CADHEJHBTFBSJM-UHFFFAOYSA-N 385.512 2.965 0 40 GFAB CCC1=NC2(CCC(C(=O)Nc3cccc(OC)c3)CC2)C(=O)N1CCOC 96261386 JDQBOOMQZVZILL-UHFFFAOYSA-N 387.480 2.860 0 40 GFAB CC(=O)NCc1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)cc1 95999090 AQTCPOCQJGFMCK-FQEVSTJZSA-N 392.459 2.946 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(CN)C(=O)O)cc1 242538960 JJYMCHHCEJXEPQ-JZXOWHBKSA-N 379.865 2.618 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2ccnc(Nc3ccccn3)n2)C1 257230743 GDSCTPWTTVNFPR-AWEZNQCLSA-N 399.451 2.933 0 40 GFAB Cn1ncnc1[C@H]1COCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2)n1 585081204 MYHXTDIWGXVAAH-MRXNPFEDSA-N 399.838 2.870 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 260759373 AXMUQZGLEGUYSV-KBPBESRZSA-N 394.468 2.866 0 40 GFAB N=c1nc(CN2CCC(CCc3cccc(C(F)(F)F)c3)CC2)[nH]c(=N)[nH]1 613849330 SEMDPZYYHIHZIM-UHFFFAOYSA-N 380.418 2.560 0 40 GFAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cc(C3CC3)n(C)n1)CC2 630161946 VQCXJHJBZOFWFF-QGZVFWFLSA-N 399.447 2.529 0 40 GFAB COc1cccc([C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)nc(O)c32)c1OC 670416158 SSPSMEQBWCDYIX-CQSZACIVSA-N 398.463 2.910 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(c2nc(-c3ccco3)no2)C1 90567363 NJPLTCXFOXHGMV-UHFFFAOYSA-N 375.388 2.970 0 40 GFAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)n1 575402572 CMBUCTMZOGLJNM-QUCCMNQESA-N 396.512 2.997 0 40 GFAB COc1ccccc1OCC(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 575611915 IHWRBWPKVGPXRP-QFIPXVFZSA-N 385.460 2.505 0 40 GFAB CC(=O)c1cnc2cc(C(=O)N3CCC(O)(c4cccc(C)c4)CC3)nn2c1C 12325276 QHPVHJZOVJNRFJ-UHFFFAOYSA-N 392.459 2.673 0 40 GFAB CC(=O)c1cccc(NC(=O)N2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)c1 13564781 QOKJXLWNRMLUJX-UHFFFAOYSA-N 395.463 2.553 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 17080064 QAGUXRWQZDNBFH-FZKCQIBNSA-N 392.242 2.905 0 40 GFAB Cc1ncccc1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19582842 RYUYGFCKLCOGPP-UHFFFAOYSA-N 381.461 2.617 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCCN(C)C4)n3CC1)CCCC2 19709264 YAECNBCJEXHQJC-INIZCTEOSA-N 397.523 2.566 0 40 GFAB O=C(Nc1cccc(Cn2cncn2)c1)c1cccc(CN2CCCC2=O)c1 19717223 GCQATQWJDWAOJM-UHFFFAOYSA-N 375.432 2.701 0 40 GFAB C[C@@H](NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)c1ccccn1 19750633 JBHDXSSOBSLEKC-CQSZACIVSA-N 394.406 2.512 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc([C@@H](C)O)s2)CCCC1 225684558 OCKBVRUURNJELD-CQSZACIVSA-N 397.566 2.942 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCC(c3nc(C)n4ccsc34)CC2)c1C 12087546 XSHCSYGEABNEQH-UHFFFAOYSA-N 393.538 2.797 0 40 GFAB CCOC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CCN(C(C)=O)CC1 12275222 MBIMHMQANRKKSX-OAHLLOKOSA-N 376.428 2.901 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cnn(C)c4)C3)cc2N1 19574629 SREOGLICIJDQDB-LALPHHSUSA-N 396.417 2.944 0 40 GFAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cnc2[nH]cnc2c1 679243184 GKSKPTMHKZFPGP-CYBMUJFWSA-N 390.230 2.800 0 40 GFAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)nc1 1889218127 OJKFBUBTPWTPOC-SFHVURJKSA-N 377.492 2.947 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1cccs1 25777983 ADDCDFABQKLUEF-ZDUSSCGKSA-N 386.926 2.838 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)N1CCCC1 34891238 FTKJDWHIDXWURN-UHFFFAOYSA-N 393.487 2.859 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CC(OC)C3)cc2)cc1Cl 245053396 OSFVNJZHTHBEKK-UHFFFAOYSA-N 382.869 2.984 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 85412897 DYJFRKQXEFQWRB-QFBILLFUSA-N 382.368 2.876 0 40 GFAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)c3ccsc3)CC2)c1 2055750716 SBILCTVXPXKIJH-UHFFFAOYSA-N 387.505 2.932 0 40 GFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCO[C@@H](c2ccccc2)C1 23897967 NYLAGFXZBMDUSV-ZTLYHTANSA-N 382.504 2.919 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)cc1C 575612623 LNNOCILOKXGYQF-OAHLLOKOSA-N 395.456 2.555 0 40 GFAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3N)n2C)c1 1364477 MDSICIPHKLJUGG-UHFFFAOYSA-N 381.461 2.998 0 40 GFAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCc2ccccc21 3378525 GQZIWMNRCQOFGF-UHFFFAOYSA-N 382.441 2.961 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2)N2CCCN32)c1 100776688 UNMMMMJFQWOLTJ-QRVBRYPASA-N 397.862 2.884 0 40 GFAB COCCN1CCn2c(nc3cc(NC(=O)COc4ccc(C)cc4)ccc32)C1 20442569 TUTMUWVKJCJLMZ-UHFFFAOYSA-N 394.475 2.824 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1 31776900 HOVNZEDDIROGIA-UHFFFAOYSA-N 395.868 2.801 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)[C@@H]2C(C)C)cc1 4778701 NOMYBNIQODJDGF-SFHVURJKSA-N 379.526 2.889 0 40 GFAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CC1 6384275 WZHPSWVLRHIMAC-UHFFFAOYSA-N 391.427 2.785 0 40 GFAB O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6432971 ZDQVYCFHONWXCN-CQSZACIVSA-N 386.835 2.781 0 40 GFAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OC(C)C 6959027 PMOGAAQIVJHGKL-WZUFQYTHSA-N 396.241 2.737 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 45641272 WVLAVBXRTILOOA-QFIPXVFZSA-N 396.487 2.739 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(Cl)c2)Oc2ccccc21 10009087 AVDWJZVGUGNOIK-INIZCTEOSA-N 380.853 2.896 0 40 GFAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 10323850 WVUKWJJOVMLBBZ-UHFFFAOYSA-N 386.489 2.541 0 40 GFAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCCCN1CCCCCC1=O)C(C)C 36702829 ARQQHMVGVYVMLP-HXUWFJFHSA-N 387.524 2.658 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(/C=C/c4ccccc4)[C@H]3C2=O)cc1 101500300 DIHZOXZKSINMGQ-AALAQPOBSA-N 376.368 2.570 0 40 GFAB CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100951804 XKSAJNGWGQWNCX-YRBFXIGRSA-N 392.249 2.689 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1ncc(Cc2cccc(Cl)c2)s1 11637728 VSCFXQXVAOTZDA-UHFFFAOYSA-N 377.853 2.865 0 40 GFAB Cn1cnn(CN(Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)c1=S 32770254 XLWMOMPFLCKBFV-UHFFFAOYSA-N 399.442 2.865 0 40 GFAB COc1cc(C(=S)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)O 9189296 JXDJHAQOXKWIFC-UHFFFAOYSA-N 386.473 2.656 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 22530776 NOXFNJBDJQCMDT-HNNXBMFYSA-N 378.469 2.947 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)c1OC 102886399 SKYLPMMVVCJGCG-LPHOPBHVSA-N 380.400 2.613 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 21970518 UUSSFPFTIGKTDM-UHFFFAOYSA-N 388.443 2.979 0 40 GFAB O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)N1CCCCC1 101663432 JAYJDNGAUOGCSR-RKGSWTEASA-N 376.456 2.870 0 40 GFAB O=C(CCN1CCN(CCOc2ccccc2Cl)CC1)N1CCCCC1 46503922 WAGSUXLHNFHGAJ-UHFFFAOYSA-N 379.932 2.739 0 40 GFAB O=C(CSc1nnc2n1CCCCC2)Nc1cccc(C(=O)NC2CC2)c1 12001996 JXJNYVBJJWVVTD-UHFFFAOYSA-N 385.493 2.628 0 40 GFAB CN(Cc1csc2ccccc12)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103230624 ZCNZLZPVCQVYDI-BIPCEHGGSA-N 380.469 2.667 0 40 GFAB COc1cccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(N)=O)c1 2736422 FETUPAPGSNEYFT-UHFFFAOYSA-N 376.434 2.982 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)ccc21 22643168 XYFFYDLGRBNSOC-UHFFFAOYSA-N 394.427 2.968 0 40 GFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)ccc1O 812823 LEDIBUPPWRXPEM-IBGZPJMESA-N 382.416 2.815 0 40 GFAB O=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccn12 22913318 RQQNYUCFEZAJIY-UHFFFAOYSA-N 399.498 2.861 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cccc(OC)c3)CC2)cc1 27228763 IRQWXYVDVWWVGM-HXUWFJFHSA-N 398.503 2.850 0 40 GFAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769376 PYHSRJYAIYRYTI-CYBMUJFWSA-N 398.438 2.888 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N(C)CCOc1ccccc1Cl 23404057 OVADYIXIQOUHFW-UHFFFAOYSA-N 389.882 2.888 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)c1 12391096 VBYWMHCXLHBQCC-LBPRGKRZSA-N 397.431 2.951 0 40 GFAB COc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4)CC3)n2)cc1 24208930 GMUPRQWLBDCSOO-UHFFFAOYSA-N 378.432 2.703 0 40 GFAB O[C@H](COc1cc(Cl)ccc1Cl)CN1CCCN(c2cccnn2)CC1 106068838 LUEDEYABCLPCEE-HNNXBMFYSA-N 397.306 2.735 0 40 GFAB O=C([C@@H]1CN(C(=O)c2cn3ccccc3n2)c2ccccc2O1)N1CCCCC1 12549815 RYFPYWWSMFAQBY-IBGZPJMESA-N 390.443 2.755 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 22328214 OKMWQSQMOLBKBH-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB O=c1c2ccccc2nnn1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57395197 UJPVTYXZSCNVMZ-UHFFFAOYSA-N 389.381 2.590 0 40 GFAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)nc2n1 10546457 AKRLXUPLCFFZNC-CQSZACIVSA-N 375.436 2.637 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 8349669 HXUPWCQGNGHTTP-HNNXBMFYSA-N 398.488 2.645 0 40 GFAB NC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3399787 KCGSSMXARBOLTD-UHFFFAOYSA-N 387.852 2.875 0 40 GFAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc(Br)cc1 8395259 OHOWOUDUFILFSR-UHFFFAOYSA-N 379.210 2.574 0 40 GFAB COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 12889354 LIDTUMSBVVOEBD-AWEZNQCLSA-N 388.489 2.934 0 40 GFAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 20101589 KXIAFDMNISISGQ-OAHLLOKOSA-N 384.867 2.630 0 40 GFAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCCC2)C1=O 3595223 IJWIDJSBFJBVMO-QGZVFWFLSA-N 384.263 2.773 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccc(O)cc2)N1Cc1ccncc1 13692956 JGPXKHCCVWZLNC-FPOVZHCZSA-N 396.468 2.636 0 40 GFAB COC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218220512 ZKJMIFCSCOFZLW-IXDOHACOSA-N 396.306 2.733 0 40 GFAB CCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccccc1 13865692 YPZPHCDRDUBMPN-UHFFFAOYSA-N 394.460 2.865 0 40 GFAB Cn1nc(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n(C2CC2)c1=O 77148715 VKGLOZCLGWWZJH-UHFFFAOYSA-N 378.835 2.729 0 40 GFAB O=C(Cn1c(=O)c2ccccc2n(CC(=O)c2ccccc2)c1=O)c1ccccc1 13941915 YHUONZDRYSWRPL-UHFFFAOYSA-N 398.418 2.929 0 40 GFAB COc1cc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc1N1CCCC1=O 65516083 ZNIQCQZLGYXIFC-GFCCVEGCSA-N 377.441 2.674 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3sccc3C)ccc21 5426415 DCPVIXBCZUFKNV-UHFFFAOYSA-N 393.486 2.808 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccc(F)c2)c1 18136931 XXXWKTYVOREHOC-UHFFFAOYSA-N 384.860 2.702 0 40 GFAB CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 4699446 OXLLYCNJLGIODR-MHWRWJLKSA-N 396.399 2.885 0 40 GFAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 69946644 MDXCPJOOEZRTEC-RBUKOAKNSA-N 377.916 2.632 0 40 GFAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1csc(COc2ccc(F)cc2)n1 69982076 PWDSZTCZHWTSJW-QGZVFWFLSA-N 393.465 2.789 0 40 GFAB Cc1cccn2c(=O)cc(COC(=O)COc3cccc4c3OC(C)(C)C4)nc12 7161106 AMCVILBTEKVKCW-UHFFFAOYSA-N 394.427 2.839 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)Cn2ncc(=O)c3ccccc32)cc1 7245743 IHCQTJXDZMFVJH-UHFFFAOYSA-N 379.460 2.889 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)NC[C@H]2COc3ccccc3O2)o1 7218898 GORYALABXIVQPM-LBPRGKRZSA-N 387.417 2.686 0 40 GFAB CCc1ccc([C@@H](CNC(=O)c2nn(C)c(=O)c3ccccc23)N(C)C)cc1 7684725 ZZVXOFBJMCXHSO-LJQANCHMSA-N 378.476 2.529 0 40 GFAB Nc1nc(CSc2nnnn2C2CCCC2)nc(Nc2ccc(F)cc2)n1 8075238 FWWDDVMPZGWHLH-UHFFFAOYSA-N 387.448 2.730 0 40 GFAB COc1cc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC 9282103 MLOMZJMBDRIXQE-UHFFFAOYSA-N 382.416 2.826 0 40 GFAB C[C@@H](C[S@@](C)=O)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 96012206 OJDYDHPLMJMJNO-NRRJATNASA-N 388.518 2.835 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)OCCOc3ccccc3C)cc2C1=O 9700391 YNASDBHYBADNLK-UHFFFAOYSA-N 397.427 2.863 0 40 GFAB COc1ccccc1C(=O)OCC(=O)NCc1ccc(Br)cc1 72333895 XKCVUJMFJJGUPR-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc2scc(C)n2c1=O)CC3 95475881 CAUIPTYQVHRQIL-UHFFFAOYSA-N 394.456 2.753 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)c3ccc(Cl)c(F)c3)CC2=O)cc1 95992800 IQWHMFLMANWYLR-KSSFIOAISA-N 390.842 2.990 0 40 GFAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)CN3CCCC3=O)CC2)cc1 72362687 BUPDEQKUVIAIIU-UHFFFAOYSA-N 394.475 2.906 0 40 GFAB CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 408587593 SGGJCSWDNJUVQT-UHFFFAOYSA-N 394.468 2.864 0 40 GFAB COc1ccc(NC(=O)N2CCn3ncnc3C2)cc1NC(=O)C1CCCCC1 548103565 UKVWFXLZFOUFNF-UHFFFAOYSA-N 398.467 2.853 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(C)c2)ccc1OC 31107999 KEGKNRVLEYWKOJ-UHFFFAOYSA-N 390.505 2.964 0 40 GFAB C[C@H](NC(=O)CCCn1cnc2c(N)ncnc21)c1c(F)cccc1Cl 1527942890 CGUTYYDXEIMJCG-JTQLQIEISA-N 376.823 2.859 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cc2)cc1Cl 33668017 SGRFRIPBIWBCHL-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(O)c1)SCC(O)=N2 79501507 LDOOEIRBLDHQIR-WBMJQRKESA-N 393.490 2.681 0 40 GFAB CC(C)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)n2)C1 72399208 RLQMQYYSZBJAFA-JQHSSLGASA-N 386.540 2.720 0 40 GFAB CN1CCN([C@H](CNC(=O)NCCc2ccc(F)cc2)c2cccs2)CC1 48362038 QUANXMRMYMZZCZ-GOSISDBHSA-N 390.528 2.718 0 40 GFAB CCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(OC)cc2)c1 224325326 DAACNJJZQXZUQX-UHFFFAOYSA-N 376.478 2.969 0 40 GFAB Cc1cc(N2CCOCC2)nc(NC(=S)NCCCc2ccc(F)cc2)n1 225969247 UENPCYOSXIDJPS-UHFFFAOYSA-N 389.500 2.680 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223257583 HKEPTSGCHUWLBP-VQTJNVASSA-N 392.532 2.801 0 40 GFAB Cc1nn(C2CCCC2)c(N)c1[C@]1(O)C(=O)Nc2ccc(Br)cc21 227173545 NDFKYZHHIQOAMX-KRWDZBQOSA-N 391.269 2.839 0 40 GFAB CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn23)CC1 96155967 LPXBYGDRAUICSN-UHFFFAOYSA-N 396.516 2.642 0 40 GFAB O=C(CCc1ccccc1)N1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]2C1 96081053 VONZBURFSDSPKI-NHCUHLMSSA-N 398.528 2.539 0 40 GFAB COCCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96038094 PFEXGMOMUNBCND-UHFFFAOYSA-N 375.432 2.953 0 40 GFAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc4c(c2)OCO4)C3)cc1 96269260 BVIFZZHPNADCKW-SFHVURJKSA-N 393.443 2.976 0 40 GFAB biogenic,in-vitro COCCNC(=O)c1c2c(-c3ccc(OC)cc3)ncnc2n2ccccc12 96146678 NVGDQFNOJWXIQO-UHFFFAOYSA-N 376.416 2.934 0 40 GFAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCCN(C(=O)CCC(=O)O)[C@@H]3C[C@H]21 257306275 STPFTJGMUWYYCM-UMHPPVOVSA-N 389.448 2.865 0 40 GFAB O=C1CCc2cc(C(=O)N3CCC(c4ncc(C(=O)O)s4)CC3)ccc2N1 630241750 DLCDKZNXAQTYDJ-UHFFFAOYSA-N 385.445 2.746 0 40 GFAB CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)c2ncco2)C1 654444924 FZDNBLDDUGNLSQ-KURKYZTESA-N 384.480 2.905 0 40 GFAB CN(C1CC1)S(=O)(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 655640381 NZVNTAQBFSAVFW-UHFFFAOYSA-N 378.416 2.936 0 40 GFAB Cc1cc(OC[C@]2(CC(N)=O)CN(C(=O)C3CCCC3)CCO2)ccc1Cl 585287394 VVPPVKPHHARSIU-FQEVSTJZSA-N 394.899 2.690 0 40 GFAB COc1ccccc1CC1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 102555368 UTHLHVIJXUITBA-UHFFFAOYSA-N 381.476 2.958 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cc3c(cc2Cl)OCO3)C1=O)N1CCCC1 5006942 VVCKMWLGTDMWBX-MKMNVTDBSA-N 394.836 2.727 0 40 GFAB COc1cccc2c1cc(C(=O)NC[C@@H](c1ccc3c(c1)OCO3)N(C)C)n2C 12148649 AWDJSZZHVCCCGX-SFHVURJKSA-N 395.459 2.948 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1ccc(OC(F)F)cc1 15098958 RFTNHUQSGUZUBB-UHFFFAOYSA-N 383.416 2.972 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)ncc2C1 19018236 HSEJKVHHQOGXIZ-LJQANCHMSA-N 382.439 2.888 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)nc2C1 19018991 PCLBMBFJCXWPLS-SFHVURJKSA-N 398.438 2.593 0 40 GFAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C(=O)c1ccn(C)n1 19019568 KREYELXCOMSFQF-TYPHKJRUSA-N 380.492 2.819 0 40 GFAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2N2CCCN12 19168404 ZSNNWEDGCLUMBI-AABGKKOBSA-N 377.444 2.539 0 40 GFAB Cc1cnc(-c2nc(O)c3c(n2)CN(Cc2cc(C)c(O)c(C)c2)CC3)cn1 19570038 BTCWUMODCQMLCZ-UHFFFAOYSA-N 377.448 2.828 0 40 GFAB COc1cccc(-c2nnn(CC(=O)N[C@H]3CC(C)(C)Oc4ccccc43)n2)c1 19660125 FLDANRPHOSFTET-KRWDZBQOSA-N 393.447 2.767 0 40 GFAB NC(=O)c1cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc12 19759464 QKYWOKPDERHFCJ-FQEVSTJZSA-N 393.418 2.615 0 40 GFAB CCCn1c(SCC(=O)Nc2ccc(C)cc2Br)n[nH]c1=O 6888246 GQPIXAMQRNUHSM-UHFFFAOYSA-N 385.287 2.783 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 12559927 CDLQIVDZGOUKAH-IBGZPJMESA-N 380.423 2.503 0 40 GFAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888844417 WKAWPTDHQPNCOK-RYUDHWBXSA-N 380.345 2.843 0 40 GFAB CC1CCC(NC(=O)c2cn(C[C@H]3CC(=O)N(Cc4ccccc4)C3)nn2)CC1 1888860010 NUOFIOJZCSDPHM-AVAKVYKDSA-N 395.507 2.635 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](N(C)c3ncccc3C(F)(F)F)C2)cn1 1889130342 BLDZGUCUKUSRDE-ZDUSSCGKSA-N 379.386 2.940 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 30034379 FMTSMMOEPXZZBC-HZPDHXFCSA-N 393.491 2.783 0 40 GFAB CC(C)CN1Cc2ccccc2CC2(CCN(C(=O)c3ccnn3C)CC2)C1=O 1565543415 VHAQOHRUPLRZKJ-UHFFFAOYSA-N 394.519 2.883 0 40 GFAB O=C(NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1c(F)cccc1Cl 9120927 CHITXNSWVJJYJH-NSHDSACASA-N 392.770 2.963 0 40 GFAB O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 13696807 GPOMGDLSXFGMOC-IBGZPJMESA-N 386.473 2.697 0 40 GFAB Cc1ccc2c(CC(=O)N3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 20797939 GFGRPEJWVPXNLA-UHFFFAOYSA-N 376.456 2.988 0 40 GFAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)Nc1ccc2c(c1)OCO2 22505849 XANXLDZGFLGTQU-UHFFFAOYSA-N 375.406 2.599 0 40 GFAB Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)c2c1cnn2-c1ccccc1 23137534 ONUBGPISHRUXFS-HNNXBMFYSA-N 383.477 2.511 0 40 GFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1c(C)noc1C 206800051 OHFLNUZTZUUEQX-YOEHRIQHSA-N 390.411 2.585 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@](O)(c1ccsc1)c1cccs1 245171730 XSJDPCVCMFEPCM-KRWDZBQOSA-N 392.527 2.540 0 40 GFAB CC[C@@H](Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(=O)OC 4165196 HPJQIXNITKOGNJ-CQSZACIVSA-N 388.449 2.852 0 40 GFAB Cc1cccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)n2)c1 49002652 ZEPNXIUTZSOGPU-IAGOWNOFSA-N 388.387 2.538 0 40 GFAB COc1ccc(Br)c(C(=O)NC[C@@H](O)c2ccc(N(C)C)cc2)c1 90611818 IFBGWXXEKRMQCV-QGZVFWFLSA-N 393.281 2.987 0 40 GFAB COc1c2c(cc3c1[C@@H](c1nnnn1-c1cc(C)cc(C)c1)N(C)CC3)OCO2 20412829 LLSGGTBMFBBUDC-SFHVURJKSA-N 393.447 2.594 0 40 GFAB biogenic CC[C@@H](C)[C@@H](CO)NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 36585397 GMDDGPQTZAVEHI-IUODEOHRSA-N 378.494 2.893 0 40 GFAB C[C@]1(c2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)NC(=O)NC1=O 40110851 SGRWBEPOBUBOLD-OAQYLSRUSA-N 376.416 2.794 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2nc3ccccc3s2)cc1 3284044 GRKKOPBTZOBBGC-UHFFFAOYSA-N 390.486 2.969 0 40 GFAB Cc1ccc(-c2csc3ncnc(N4CCN([C@H](C)C(N)=O)CC4)c23)cc1 79048105 LJDPXHLWQIPXSS-CQSZACIVSA-N 381.505 2.663 0 40 GFAB COc1ccccc1NC(=O)CS[C@H](CC(=O)Nc1ccccc1)C(=O)O 2228410 SQSLQVYDZUAINL-MRXNPFEDSA-N 388.445 2.849 0 40 GFAB NS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3CCCCC3)c2)s1 56224787 JRNZSFFBXZPPRL-UHFFFAOYSA-N 379.507 2.567 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 6205274 VXQVLVOJUZVGFI-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CC1CCN(C(=O)[C@@H](C)n2nnc(-c3ccc(Br)cc3)n2)CC1 57485092 JIOKEKILVCMKHF-GFCCVEGCSA-N 378.274 2.922 0 40 GFAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCC(c2ccccc2)CC1 101408656 RRHGZHFKWDVBHB-UHFFFAOYSA-N 384.476 2.557 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 8037100 BJQYMIDTVXRUCQ-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB COc1cccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)c1 8167617 UJDCJYYJLSGYCQ-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2nnc(C)s2)c1 8474483 NGWCUXXDQRVDSY-UHFFFAOYSA-N 390.465 2.754 0 40 GFAB CCOc1ccc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)cc1OC 58195928 QNBZUBSKBSLJER-JZXOWHBKSA-N 376.497 2.808 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082778 XFZPBVOYCCNMOD-HZLBELHRSA-N 378.472 2.803 0 40 GFAB COCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2414481 CJSIFROUWBLOSA-UHFFFAOYSA-N 390.490 2.701 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 46164881 AHASHKGNMLXJFZ-QGZVFWFLSA-N 392.452 2.766 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 60363570 QARFRTSRZNIDDA-MRXNPFEDSA-N 388.449 2.816 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)c(OC)c1 2686601 DYUPHWKVWRFOLX-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cc(OC)ccc1OC 2703011 CDNHHLCTDDNNFC-MEBBXXQBSA-N 376.434 2.525 0 40 GFAB COC(=O)[C@H](C)SC1=Nc2c(cnn2-c2ccc(C)cc2)C2=NCCCN12 12321759 BZJJOXRJBJQCCM-ZDUSSCGKSA-N 383.477 2.929 0 40 GFAB Cc1c(S(=O)(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2c2nc(-c3ccccc3)no2)cnn1C 100220006 RPFYYMTYKPTRMQ-BFYDXBDKSA-N 399.476 2.693 0 40 GFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCc1cccs1)C2=O 23483473 XVAZGUJOSUSNCO-DJJJIMSYSA-N 377.510 2.544 0 40 GFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1nnc2ccccn12 12993192 IJEGRQQRTZCMFE-UHFFFAOYSA-N 399.458 2.791 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1 3503722 NOOHWBNBVKOPGW-UHFFFAOYSA-N 399.428 2.848 0 40 GFAB aggregator CC(=O)NCCC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 62916192 RCVWCDSAISDQIA-UHFFFAOYSA-N 385.851 2.894 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 6083093 BQBIHIDIUZZYOR-QFIPXVFZSA-N 389.411 2.889 0 40 GFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 20956943 KWALRBLHBRDUMS-UHFFFAOYSA-N 380.441 2.701 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 14068067 PDJFANFIZROZII-UHFFFAOYSA-N 399.266 2.883 0 40 GFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccco1 5398036 YNLAFLJBGBMHNY-UHFFFAOYSA-N 388.221 2.582 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)NC(=O)CCS2 14183855 HRTFESOZUJAJMC-UHFFFAOYSA-N 394.456 2.630 0 40 GFAB C[C@]1(CSc2ccccc2C(=O)Nc2nc3ccccc3[nH]2)NC(=O)NC1=O 6604601 VTKPCKCVRTYMNF-LJQANCHMSA-N 395.444 2.505 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(F)(F)F)cc1)n2CCOC 6620955 MIMKWEISRYNTSJ-UHFFFAOYSA-N 396.369 2.629 0 40 GFAB COC(=O)c1cc(NC(=O)COc2cccc(C)c2C)ccc1N1CCOCC1 4711517 YGVUNEXSKUOCTA-UHFFFAOYSA-N 398.459 2.944 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)ccc1F 20768499 BJQDHGDDVWQGAM-UHFFFAOYSA-N 380.416 2.679 0 40 GFAB COc1cccc(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)c1 6810206 DLQGYIUJSGEGRH-OAHLLOKOSA-N 379.503 2.895 0 40 GFAB COc1ccccc1CCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 15536720 OGSYZNWSKPOMNW-UHFFFAOYSA-N 383.473 2.694 0 40 GFAB CCOC[C@H]1CCCN(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)C1 73044982 DMFMAJNAXQGBIS-MSOLQXFVSA-N 375.513 2.980 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 16455030 NHVRGAYVQLNNSU-ASSNKEHSSA-N 381.407 2.571 0 40 GFAB O=C(OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1cnccn1 8493835 UVZQCJMMLWENHI-SFHVURJKSA-N 375.384 2.800 0 40 GFAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 8746557 IWRYTCRWYOFMAE-IBGZPJMESA-N 399.472 2.649 0 40 GFAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cs1 8991013 UBNMJJFRAJXTJS-UHFFFAOYSA-N 395.384 2.594 0 40 GFAB CSC[C@@H](CCO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 89493443 QTOZBCMWDOGQIB-SECBINFHSA-N 377.837 2.751 0 40 GFAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CCCO)c1ccccc1 89740985 VDXAPIYOQQVROA-PMACEKPBSA-N 397.454 2.534 0 40 GFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 409207655 ZNPLZTWMBVDQLA-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB COC(=O)c1cccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)c1 60127396 QXSIACQMBBIGQQ-UHFFFAOYSA-N 389.429 2.676 0 40 GFAB CC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 502435792 BYPZYAPPYMTWKU-FZMZJTMJSA-N 394.415 2.656 0 40 GFAB COC[C@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 408615932 DCUVQPIRFWESPP-AWEZNQCLSA-N 396.896 2.686 0 40 GFAB COc1ccc(N2CN(Cc3cccnc3)Cn3c2nc(C)c(C)c3=O)cc1 36125674 IQOOOGQKFXGEFS-UHFFFAOYSA-N 377.448 2.833 0 40 GFAB COc1ccc(-c2cccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)cc1 72349290 MGNMILRIRWJQQN-MRXNPFEDSA-N 375.494 2.743 0 40 GFAB O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 78654541 GECVRRIBCCNEPS-AZUAARDMSA-N 385.485 2.652 0 40 GFAB C[C@](O)(CNS(=O)(=O)c1ccc(Br)s1)c1ccccc1 70639732 SXRCMQVQGMKALY-ZDUSSCGKSA-N 376.297 2.697 0 40 GFAB Cc1cnn(CC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)c1 72344967 KFDHYPPVFJTJDE-UHFFFAOYSA-N 386.459 2.970 0 40 GFAB O=C(Cc1ccccn1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353554 GNFRZGJBZJPAMG-IBGZPJMESA-N 387.487 2.622 0 40 GFAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN([C@@H]1CCS(=O)(=O)C1)C3 13692477 DNESVWNNBMELOE-MRXNPFEDSA-N 397.452 2.799 0 40 GFAB biogenic O=C(c1cc([C@H]2CCCCN2C(=O)CCc2ccccc2)n[nH]1)N1CCOCC1 72380648 NYRCMQNKMGCCQP-HXUWFJFHSA-N 396.491 2.569 0 40 GFAB COc1ccccc1CNC(=O)CSCc1nc2sc(C)cc2c(=O)[nH]1 44893999 NTHSAHWQZWPKPE-UHFFFAOYSA-N 389.502 2.851 0 40 GFAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1 225402086 QQQRCTBZYBDVQW-VQTJNVASSA-N 383.467 2.736 0 40 GFAB biogenic,in-vitro CC[C@H](C(=O)NCc1cccc(C)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220655089 XEXDCBYIKSWHGX-LJQANCHMSA-N 390.505 2.865 0 40 GFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCOC3CCCC3)ccc21 224379097 PFOMJTRFYSASKN-UHFFFAOYSA-N 392.521 2.613 0 40 GFAB CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 139445582 GZKRJJJUCFEXJT-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C(=O)N1CCCC1 223871617 PSMGHCRTNHKJJH-UHFFFAOYSA-N 394.518 2.813 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220157826 YTGCDKYLEKUENS-CQSZACIVSA-N 392.477 2.887 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 222868238 UDPISKLRXAQTLK-OAHLLOKOSA-N 398.459 2.520 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 96344852 SYSSLPASZFIAAB-CYBMUJFWSA-N 377.404 2.513 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)Cc3ccccc3)C2)CN1c1cccc(F)c1 96238689 VCVYRVADOKOHSL-FQEVSTJZSA-N 388.464 2.785 0 40 GFAB CCC(CC)(CC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1)C(=O)O 634878239 GXIGSMFQKPTQBX-UHFFFAOYSA-N 382.407 2.530 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)c1 1628918164 HPITYMGDEGRPHB-GOSISDBHSA-N 393.443 2.751 0 40 GFAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccccc1-c1c(F)cccc1F 666812798 KBGWHPMSTSDKHX-JKSUJKDBSA-N 396.415 2.565 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@H]4[C@]2(O)[C@H]1O)[C@@H]1[C@@H](C[C@H]3C)C1(C)C 299817693 ONMDPPVVEFWDOD-YWEDHIMGSA-N 388.504 2.614 0 40 GFAB biogenic,in-vitro COc1cccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)c1 96340600 BLXAAUODOFECIF-UHFFFAOYSA-N 391.371 2.665 0 40 GFAB CCN1C(=O)CCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccc(F)cc2)CC1 585284636 UDMBVLSLMYURTJ-PMACEKPBSA-N 389.515 2.632 0 40 GFAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N(C)C)C(=O)N1CC2 72342070 BLNWBRDUNSESPO-NRFANRHFSA-N 395.459 2.680 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCN(C2CCC2)CC1 825705077 IOOAERPXDWTZLK-UHFFFAOYSA-N 378.416 2.834 0 40 GFAB O=C(c1nccs1)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615127841 HTOQUGXKOQMGEK-LJQANCHMSA-N 389.452 2.711 0 40 GFAB COc1cccc(C2=NN(C(=O)c3ccc(O)cc3)[C@](O)(C(F)(F)F)C2)c1 5745908 AZMGFMGDUINRMD-QGZVFWFLSA-N 380.322 2.902 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c1C 5934500 WVEBYIGBRLKDSR-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB Cc1cnc(C(=O)N2CCC(c3nc4c(c(N5CCCC5)n3)CCC4)CC2)cn1 12146490 LLVJEPYGGOVNDV-UHFFFAOYSA-N 392.507 2.684 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(F)cc4)CC3)ccc21 12363403 ZDJSPKCNPKZTQP-UHFFFAOYSA-N 376.409 2.721 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC 16681803 TXCOYIPHZIQNIX-UHFFFAOYSA-N 382.869 2.577 0 40 GFAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc[nH]n2)cc(N(C)C)n1 19240889 QAYAKHRXFRPIDV-SFHVURJKSA-N 389.463 2.769 0 40 GFAB C[C@@H](Cc1ccc2c(c1)OCO2)CN(CCN1CCOCC1)Cc1cccnc1 19456825 SYDAEWCUVSDSSI-IBGZPJMESA-N 397.519 2.823 0 40 GFAB Cc1c(S(=O)(=O)N2[C@H](c3nc(-c4ccccc4)no3)[C@H]3CC[C@@H]2C3)cnn1C 19553824 RPFYYMTYKPTRMQ-UXLLHSPISA-N 399.476 2.693 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)s1 19561959 DCSKDJXQKIJDNY-SDDRHHMPSA-N 397.451 2.891 0 40 GFAB CN(C)Cc1cc([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nn1C 19709006 SBVAIMYSHQWQAG-AWEZNQCLSA-N 396.944 2.703 0 40 GFAB CCOc1ncccc1C(=O)N1C[C@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888919561 PBKUDKWZGPOOHB-HOTGVXAUSA-N 391.475 2.575 0 40 GFAB COc1ccc(CNC(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1OC 238893081 QUMRPPZORWJDKF-KRWDZBQOSA-N 381.436 2.536 0 40 GFAB NC(=O)c1nc(-c2ccc(Cl)cc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 2455523 QIOGWOHGZBNMSF-UHFFFAOYSA-N 383.770 2.667 0 40 GFAB O=C(NCCn1ccc2ccccc21)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4272665 TZJHEMSDCINTFB-KRWDZBQOSA-N 380.423 2.885 0 40 GFAB Cc1ccccc1-n1c(-c2cccs2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 12463152 OYNKAPMYNOZUFR-UHFFFAOYSA-N 391.456 2.713 0 40 GFAB Cc1ccc(NC(=O)Cc2csc(NC(=O)[C@H]3CCC(=O)N3)n2)cc1Cl 12422895 TUBIKHLEOCXQFT-CYBMUJFWSA-N 392.868 2.503 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)N3CCCC3)cs2)cc1 16848502 MUJGGKAESCVUTF-UHFFFAOYSA-N 395.506 2.508 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4ccc5c(c4)CCC5)C(=O)[C@H]32)c1 101262584 SPRBHJYLYALAMD-OALUTQOASA-N 392.415 2.690 0 40 GFAB Cc1ccc(NC(=O)N2CCN(CCNC(=O)c3ccsc3)CC2)cc1C 42383141 XLPVDYAHGIQMCG-UHFFFAOYSA-N 386.521 2.944 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc(-c2cccs2)cc1=O 49028261 KHEZYCRTCKSMGW-UHFFFAOYSA-N 383.429 2.787 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 1506071 MNXPEYFMZVHQLV-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)CC(C)C)C2)n(-c2nc3ccccc3[nH]2)n1 2332241551 GIDBXFZWUXDDBZ-BMGDILEWSA-N 396.495 2.611 0 40 GFAB O=C(Nc1nnc2ccccn12)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 40088961 HCMJMNKBCPDAQX-LLVKDONJSA-N 389.337 2.740 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCOC1)c1ccc(Cl)cc1 40089175 WRPAFHPQCHPXMQ-VQIMIIECSA-N 386.879 2.834 0 40 GFAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)cc1 31078593 RRYSTUYXXZCJAZ-UHFFFAOYSA-N 378.476 2.640 0 40 GFAB CCc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1 812694 OVVADQZWXSWNIX-UHFFFAOYSA-N 383.473 2.546 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)cc1F 22805166 VYAPSJXMCINIBH-UHFFFAOYSA-N 387.430 2.656 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 22903245 KWMLDCKXDJARHN-UHFFFAOYSA-N 388.401 2.561 0 40 GFAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2ccc3nncn3n2)CC1 23081339 CIAWQAOCNVKZSZ-SFHVURJKSA-N 376.464 2.535 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2cccs2)C1 23018651 WTOXZMIWWOWBHL-LSDHHAIUSA-N 386.473 2.557 0 40 GFAB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 1078716 KCPYLFFAUKMJQE-GZTJUZNOSA-N 375.384 2.806 0 40 GFAB COC(=O)C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)OC 24971016 HVKXDHXZHAQZDE-FUHWJXTLSA-N 387.457 2.741 0 40 GFAB CCNC(=O)COc1cccc(NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 78974236 QTORDJCENPROBZ-CQSZACIVSA-N 393.484 2.643 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC(Oc2ccccc2)CC1 55763427 KCIPQFKQHBDGGJ-UHFFFAOYSA-N 377.444 2.926 0 40 GFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1C1CCCC1 56034167 XAZHGLCBZAGZII-QGZVFWFLSA-N 389.521 2.762 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(N4CCCC4=O)c3)ccc21 7325443 IDYRAQKOURGRIV-UHFFFAOYSA-N 399.472 2.523 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)ccc2N1 7688817 CEOOCFIKAKWUDD-UHFFFAOYSA-N 380.853 2.582 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(OC)c1 35485517 AALVAOSULXSDMX-NQERJWCQSA-N 395.503 2.879 0 40 GFAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C1CCCCC1 8984474 MOWKDXMUEKSHPK-UHFFFAOYSA-N 389.481 2.542 0 40 GFAB CN(C)C(=O)Cc1ccccc1NCC(=O)Nc1ccccc1OC(F)F 58178036 AZRFVIBNIACVTE-UHFFFAOYSA-N 377.391 2.969 0 40 GFAB CCCC[C@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2104775 AYHYDNHNIAEVPW-HNNXBMFYSA-N 375.421 2.808 0 40 GFAB biogenic O=C(NC1CCN(CCc2ccccc2)CC1)c1c[nH]c2ccccc2c1=O 27936432 HCMXPLCKVSSRDO-UHFFFAOYSA-N 375.472 2.965 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)NCc1cccnc1OCC(F)(F)F 28402896 GYVSGMPEWSIQGE-UHFFFAOYSA-N 383.326 2.751 0 40 GFAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 101387890 WZHXSPWZDFLGBW-XUXIUFHCSA-N 381.450 2.694 0 40 GFAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCC(c2ccccc2)=N1 11329097 HTHARRRPHRSPDE-UHFFFAOYSA-N 392.484 2.973 0 40 GFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 20957050 VARSLDDFPHSIIJ-UHFFFAOYSA-N 380.441 2.701 0 40 GFAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OCC)c(C)cc2OCC)C1 95946175 QJLTXJQXQKJIIW-OAHLLOKOSA-N 399.509 2.756 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 52411978 KBCWJWDWWPGCNJ-HNNXBMFYSA-N 377.462 2.538 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 48236086 YSESEKQYIWEDAJ-UHFFFAOYSA-N 375.473 2.766 0 40 GFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCCCCC1=O 12945201 NRFJAIMKAGWXAU-UHFFFAOYSA-N 385.386 2.505 0 40 GFAB O=C(CSc1nc2ccccc2c(=O)[nH]1)NCCc1c[nH]c2ccccc12 13682409 DMSWBRJFEOSOII-UHFFFAOYSA-N 378.457 2.855 0 40 GFAB O=C(N/N=C/c1ccccn1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6287966 GFQXBJKFMAHTQF-XDHOZWIPSA-N 386.458 2.708 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6237192 VCXQPLGRCBXNDW-UHFFFAOYSA-N 396.871 2.555 0 40 GFAB CCOc1cc(/C=C2/SC(=O)NC2=O)cc(I)c1O 4698956 HMEQAFYESHJWSZ-WEVVVXLNSA-N 391.186 2.719 0 40 GFAB COc1ccc(CC(=O)OCC(=O)NCc2ccccc2Cl)cc1OC 5670912 SPSDEHGIVOPEKB-UHFFFAOYSA-N 377.824 2.759 0 40 GFAB CC(C)CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6719211 JWWJUSYNLMSTBM-KGLIPLIRSA-N 382.507 2.536 0 40 GFAB Cc1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 6881944 ZJTGJOYXXQDLML-INIZCTEOSA-N 393.553 2.840 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 7059967 HIZPMWNONWOMPF-UHFFFAOYSA-N 396.852 2.676 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)c1cc(F)cc(F)c1 7694040 ILIBAAFRVMXWCF-UHFFFAOYSA-N 377.343 2.551 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c1 7728331 JKDYMSPNXBDQEV-UHFFFAOYSA-N 396.534 2.971 0 40 GFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCC1 9882529 ICNFQHFEQDDIAE-UHFFFAOYSA-N 388.445 2.997 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1ccn(C)n1 95999678 APTFRJQEEUTEJY-QGZVFWFLSA-N 380.452 2.828 0 40 GFAB COCCNC(=O)CN(C)c1ncnc2cc(-c3ccc(OC)cc3)sc12 8939458 BKOZPPGKPAYNIV-UHFFFAOYSA-N 386.477 2.566 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)cc1 306123581 AQWUKXOGZYULIH-KRWDZBQOSA-N 388.489 2.639 0 40 GFAB COc1cc(CCC2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)cc(OC)c1 95448775 VPMLJRIHJWSMFK-UHFFFAOYSA-N 399.491 2.889 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)c3cnccc32)cc1 89406784 QJGHYHNTDRQADN-UHFFFAOYSA-N 378.310 2.875 0 40 GFAB C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 89895257 JVBQWQIDXLGCHL-BBRMVZONSA-N 394.518 2.924 0 40 GFAB COc1cc2c(cc1OC)-c1cc(=O)n(Cc3ccc(Cl)cc3)c(=O)n1CC2 66089538 FPVYCKOXILGALV-UHFFFAOYSA-N 398.846 2.952 0 40 GFAB NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 72403385 HEPOQPUNVRVHFF-IBGZPJMESA-N 377.444 2.697 0 40 GFAB CC(C)n1ccc(-c2nc(C(=O)NCCCN3CCOCC3)c3ccccn23)c1 306125247 CKHMJCPPAKXBBW-UHFFFAOYSA-N 395.507 2.836 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)Oc2ccc(Cl)cc21 38755142 FDBXKZFLEXJVFA-HNNXBMFYSA-N 384.816 2.645 0 40 GFAB O=C(Cc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1 67896847 HDTMRSWXFINMBR-NFBKMPQASA-N 394.471 2.539 0 40 GFAB biogenic,in-vitro COc1cc(N2C[C@@H]3C[C@@]4(CCCN(Cc5ccccc5)C4)[C@H](C2)O3)ncn1 306141296 VQYADFUYIFNJKM-CNNODRBYSA-N 380.492 2.745 0 40 GFAB O=C1C[C@H](c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)N2N=CNC2=N1 38316117 GYASOAPHFPFWTN-MRXNPFEDSA-N 397.822 2.533 0 40 GFAB CN(CC(=O)N1CCN(c2ccccn2)CC1)c1nc2c(F)cccc2s1 70973683 OUSHNPXFJNPKMQ-UHFFFAOYSA-N 385.468 2.615 0 40 GFAB CN1CCN(Cc2ccc(-c3ccccn3)nc2)C[C@@H]1c1nc(C2CC2)no1 566139141 CSUZSQUHRWQQLK-LJQANCHMSA-N 376.464 2.893 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cccc(C(C)=O)c2)NS(C)(=O)=O)cc1 225956503 LHURPUARGZGLIB-GOSISDBHSA-N 390.461 2.517 0 40 GFAB CC(C)Oc1ccc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 44849051 RXQMDUIHDLWKOK-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)CC2)N1CCc2ccccc21 41070413 BUJWJSOXZZXLGY-UHFFFAOYSA-N 393.468 2.546 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 222957875 MEYRKVKMDKZIDC-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccccc1 222774692 CJHFXUGUXPSHJF-GHTZIAJQSA-N 396.487 2.778 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1cccc(I)c1 222246298 MHPWIUHQCRHJIL-LACSLYJWSA-N 391.208 2.849 0 40 GFAB O=C(CCc1nc(-c2ccncc2)no1)Nc1n[nH]c(CCc2ccccc2)n1 96116810 FPNMDRYPSINRMB-UHFFFAOYSA-N 389.419 2.606 0 40 GFAB CCc1ccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 244468001 ZFIRDTSDYBLSFQ-UHFFFAOYSA-N 380.897 2.985 0 40 GFAB Cc1cc2nc[nH]c(=NCc3cccc(OCCN(C)C4CCOCC4)c3)c2[nH]1 585082435 SYVYTUZZJIQFDS-UHFFFAOYSA-N 395.507 2.790 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1 260833502 XKCVBLKICMWXAR-CQSZACIVSA-N 376.478 2.972 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](OC)c2cccc(F)c2)cc1 96388596 FEMPFGBBOHYPDD-MRXNPFEDSA-N 382.413 2.670 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@H](OC)c2cccc(OC)c2)cc1F 96390329 YHRVRLKWPBZLEN-GOSISDBHSA-N 383.441 2.899 0 40 GFAB Cc1ccc(NC(=O)c2ocnc2C(F)(F)F)cc1C(=O)N1CCOCC1 635864926 OIPPWTOLFRGZSI-UHFFFAOYSA-N 383.326 2.727 0 40 GFAB CN1c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2N(C)S1(=O)=O 390826157 DGGUGEYTMUIDPU-UHFFFAOYSA-N 382.445 2.860 0 40 GFAB C[C@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097686 MPPUYBUYIBZQKM-HNNXBMFYSA-N 391.475 2.746 0 40 GFAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCCO2 57440354 DFKKEARCOIHIGS-UHFFFAOYSA-N 385.439 2.748 0 40 GFAB COc1cc(CC[C@H](O)CC(=O)CC[C@@H]2CC[C@@H](O)[C@@H](OC)C2)ccc1O 169748437 XMNDMZNXKHJPKM-ZEVBXJOLSA-N 380.481 2.610 0 40 GFAB biogenic Cc1cc(C)n2nc(C(=O)N3CCC(c4ccc5cccnc5n4)CC3)nc2n1 655265742 IENILOMCCRDSRS-UHFFFAOYSA-N 387.447 2.704 0 40 GFAB Cc1nn(C)cc1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615131272 SLQHERWTMNAXNZ-OAQYLSRUSA-N 386.471 2.656 0 40 GFAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O 13711239 LCLOLIDUBVRUNP-HNNXBMFYSA-N 376.434 2.599 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 14401985 MYXFVPHMLLZAKK-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB O=C1N[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 15906348 FVUGRJYVDVXNIE-XJKCOSOUSA-N 399.756 2.839 0 40 GFAB CCc1nn(CC(=O)Nc2ccc(C(=O)OC)cc2)c(=S)n1-n1cccc1 16777757 QOYSGSXOEQCBBB-UHFFFAOYSA-N 385.449 2.515 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)Cn1nc(C)n(-n2cccc2)c1=S 16777829 AZPDMRVOYPTHLY-UHFFFAOYSA-N 385.449 2.651 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)/N=c2/sccn2Cc2ccccc2F)cc1 17368862 SFKBADVBZPPJDO-CZIZESTLSA-N 390.461 2.882 0 40 GFAB CC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(C(=O)C1CCCCC1)C2 19017274 MZJAUTOPMONFII-SFHVURJKSA-N 386.496 2.721 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@H]3CCCO3)C1)N2 19127695 JHOCBHMYDUQRFN-LVQVYYBASA-N 382.455 2.990 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)C(=O)c3cnc(C)cn3)CC1)O2 19219179 NCZNOJPVXVMYGO-UHFFFAOYSA-N 394.475 2.669 0 40 GFAB CC(C)CCn1nnnc1[C@@H](CC(C)C)N1CCN(C(=O)c2ccco2)CC1 19446966 ALVDFQPLKNCWNR-QGZVFWFLSA-N 388.516 2.857 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)c3n[nH]c4c3CCC4)CC1)CC2=O 19562969 MCGLEUZPXYYBBV-UHFFFAOYSA-N 381.432 2.547 0 40 GFAB Cc1cc(C)n(CCC(=O)NCCc2cn(C)c3ccc(Cl)cc23)c(=O)n1 19572512 HSNUGOPCZIIROS-UHFFFAOYSA-N 386.883 2.754 0 40 GFAB Cc1nn(C)c(C)c1CN(C)C(=O)COc1ccccc1-n1cnnc1C1CC1 19577728 UTQHUSJOELLKRW-UHFFFAOYSA-N 394.479 2.532 0 40 GFAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)CCCn2cncn2)CC1 12231095 KVESZNXDUBIXQH-UHFFFAOYSA-N 382.443 2.734 0 40 GFAB CO[C@@H](C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1)C1CC1 668292514 IIKCYCPXEXBCHU-QLFBSQMISA-N 382.254 2.501 0 40 GFAB COc1ccc(NC(=O)COC(=O)/C=C/C(=O)N2CCCc3ccccc32)cc1 3266399 WTSBBAWRNKKHPM-OUKQBFOZSA-N 394.427 2.713 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1 4863648 QIMNYLNORLTPRB-HVHJFMEUSA-N 377.437 2.527 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccc3nc(C4CC4)cn3n2)CC1 1888917902 FWMSRMSPUGZPHH-UHFFFAOYSA-N 377.448 2.578 0 40 GFAB O=C(CN1CCC(C(=O)N2CCC(F)(F)CC2)CC1)Nc1ccc(F)cc1 1888929983 IEKZSBLTRMPZGB-UHFFFAOYSA-N 383.414 2.734 0 40 GFAB O=C1N[C@H]2CCCN(C(=O)c3cccnn3)[C@H]2CCCCCOc2ccccc21 1848354605 VPIQLHIZEDCNEK-HKUYNNGSSA-N 394.475 2.833 0 40 GFAB Cc1cccc(-n2c(-c3cccs3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 4171016 NFQGKNVDLXVFAZ-UHFFFAOYSA-N 391.456 2.713 0 40 GFAB C[C@@H]1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 5087057 IPMHHNBOQSDHJS-MRXNPFEDSA-N 381.476 2.847 0 40 GFAB CCOc1ncccc1C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O 9660969 IJMMAAPBWJNYSH-UHFFFAOYSA-N 398.850 2.787 0 40 GFAB COc1cccc(C(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1 16960274 UXVLZCCJYAAFFE-UHFFFAOYSA-N 383.429 2.808 0 40 GFAB CCOC(CCNC(=O)c1nnn(-c2ccccc2)c1-n1cccc1)OCC 206648483 SJYCVQGEARBGDQ-UHFFFAOYSA-N 383.452 2.577 0 40 GFAB COc1ccccc1S(=O)(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 575618268 GEDZGTZZNXLEED-SFHVURJKSA-N 383.473 2.765 0 40 GFAB CCCNC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 4856425 IARYPOWPXQOIOU-UHFFFAOYSA-N 394.298 2.897 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1 4852590 ARDJSZMGVCZNHG-UHFFFAOYSA-N 381.436 2.795 0 40 GFAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H](O)COc1ccccc1 40089114 SQWRISLHFDVJCU-UKRRQHHQSA-N 394.265 2.773 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)c1 51357066 NXCCETBOGLCQKV-UHFFFAOYSA-N 379.771 2.739 0 40 GFAB COC(=O)c1cn(Cc2ccccc2OC)cc2c(=O)n(-c3ccccc3)nc1-2 101450753 YKOAZBNHTNURJL-UHFFFAOYSA-N 389.411 2.982 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)C2CCCC2)c(Br)s1 32923792 OPHKIMUQCWYBMM-UHFFFAOYSA-N 382.301 2.860 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 103244312 AMRJONWTBHUORF-WPCMGHOJSA-N 396.462 2.980 0 40 GFAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)NCc1ccccc1 22615755 HVHPJOUKVRLBMN-HNNXBMFYSA-N 382.489 2.611 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)cc3cccnc23)CC1 22994157 OMZMDRJMWFPZRB-UHFFFAOYSA-N 381.885 2.888 0 40 GFAB CCOC(=O)N1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 24537448 GGAVKOBMPXEJKR-UHFFFAOYSA-N 396.871 2.781 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 24611010 DXLJEUWZTTXGRV-UHFFFAOYSA-N 378.538 2.795 0 40 GFAB COc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1OC 3240217 SZQAJWIEDDJBCR-CYBMUJFWSA-N 385.416 2.847 0 40 GFAB CCc1c(C)sc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c12 55493387 BUZIAYQSHPESDB-UHFFFAOYSA-N 385.445 2.808 0 40 GFAB C[C@H]1CCCCN1C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O 1330919 JNHOWMNLAVPXHK-ZDUSSCGKSA-N 385.855 2.637 0 40 GFAB COCCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccoc1C 4860838 HDUDAAPERGQOAR-UHFFFAOYSA-N 379.467 2.680 0 40 GFAB COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881382 WMEHTSDRVNPEAB-PBHICJAKSA-N 395.411 2.641 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)O)cc3)CC2=O)cc1[N+](=O)[O-] 7928482 MLAVDLBHNUKXSD-ZDUSSCGKSA-N 383.360 2.593 0 40 GFAB COC(=O)c1ccc([C@@H]2C=C(C(=O)O)Nc3nc(-c4ccccc4)nn32)cc1 102335881 ALUCTQDNOURYGE-INIZCTEOSA-N 376.372 2.715 0 40 GFAB O=C(NCc1nnc2ccccn12)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9377179 MRTYGBMAXVZIPE-MRXNPFEDSA-N 385.427 2.552 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(OC)c2)c1 28834932 DSXPQBNHPDKQSN-UHFFFAOYSA-N 378.450 2.684 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)OC)c1 11337193 SRNPNZCNXYLYPT-AWEZNQCLSA-N 391.445 2.620 0 40 GFAB C[C@H]1CN(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)C[C@@H](C)O1 45740874 TZOHNPICBZCYML-TXEJJXNPSA-N 376.881 2.798 0 40 GFAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(F)c(F)c3)nc(N)c12 11539473 NLEMYPYTTUDGBE-UHFFFAOYSA-N 391.330 2.925 0 40 GFAB O=C(Cc1ccc(NC(=S)NCc2ccc(F)cc2)cc1)N1CCOCC1 36847027 QSSUWVIGRTYSOZ-UHFFFAOYSA-N 387.480 2.714 0 40 GFAB Cc1nc2ccc(OCC(=O)OC(C)C)cc2c(=O)n1-c1ccc2c(c1)OCO2 12296796 BEVVCYMSBKDUJU-UHFFFAOYSA-N 396.399 2.753 0 40 GFAB biogenic COc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1OC 12770294 GOAHAINMCDVRNR-UHFFFAOYSA-N 375.406 2.611 0 40 GFAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)c2)CC1 12535854 DHTBOVWBTMZEQG-INIZCTEOSA-N 389.544 2.562 0 40 GFAB COc1ccc([C@@H](NC(=O)[C@@H]2COc3ccccc3C2)c2nccn2C)cc1 12549722 VBANXNWSQNSAOE-FXAWDEMLSA-N 377.444 2.886 0 40 GFAB CCNC(=O)COc1cccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 48356343 CATMGIJPZBLCED-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1cc(C)ccn1)C(F)(F)F 13582288 YTOHBXWYLMTCSQ-QGZVFWFLSA-N 381.354 2.592 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1C 4325583 JKCUTZKVIHROLE-INIZCTEOSA-N 393.530 2.960 0 40 GFAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C2=O)cc1 14190146 FEPSPCWQBNJTRA-UHFFFAOYSA-N 379.416 2.926 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 14121440 RZWFEUIZFNANKI-UHFFFAOYSA-N 376.460 2.873 0 40 GFAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCCC1=CCCCC1 5452456 JVQYTQGUHXPBGR-UHFFFAOYSA-N 381.480 2.963 0 40 GFAB COc1ccc(CCNC(=O)N2CC[C@H](N3CCCC3)C2)cc1OC(F)F 66194468 LFUSSQANNHMPRJ-HNNXBMFYSA-N 383.439 2.719 0 40 GFAB CC(=O)Nc1ccc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)cc1 6787190 HFPLBXHBIIGBLL-UHFFFAOYSA-N 380.400 2.878 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)COc3ccccc32)cc1C 6940975 HWJSUCXOIWWULL-UHFFFAOYSA-N 382.416 2.601 0 40 GFAB O=C(Nc1cccc(F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858295 FUZBARQPYICGHI-UHFFFAOYSA-N 382.800 2.798 0 40 GFAB O=C(NC[C@H]1COC2(CCOCC2)O1)c1ccc(OCc2cccs2)cc1 95991305 CCQLWWNCRDXJNY-KRWDZBQOSA-N 389.473 2.979 0 40 GFAB COc1cc2[nH]c(O)c(C(=O)NCCCc3ccccc3)c(=O)c2cc1OC 18213289 DMFMOJHTULMMTF-UHFFFAOYSA-N 382.416 2.614 0 40 GFAB biogenic Cc1ccc(CN2CCCN(C(=O)c3nn(C)c(=O)c4ccccc34)CC2)cc1 8984286 YOVSXVXGWQNCDX-UHFFFAOYSA-N 390.487 2.590 0 40 GFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20038496 MHKOMYDUWYJVBB-HKUYNNGSSA-N 380.554 2.966 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@H](C)C(=O)Cc2ccccc2)CC1=O 89271982 SLQCMSARPLVTMK-AEFFLSMTSA-N 394.471 2.755 0 40 GFAB O=C(c1ccn2cncc2c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 89768489 XEXWNLGYWGIRSB-UHFFFAOYSA-N 386.814 2.725 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 25451927 CGAOUDQVPDYSQV-UHFFFAOYSA-N 385.851 2.667 0 40 GFAB COCC(=O)N1Cc2ccccc2[C@H](c2nccn2Cc2csc(C)n2)C1 306130320 JCIKSZSAMAEIOM-GOSISDBHSA-N 382.489 2.817 0 40 GFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO 67300938 JVNAWRGGAPELRM-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 123342100 BIEADAHRODWPEW-ZDRVJVOTSA-N 388.504 2.783 0 40 GFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 35268929 IPNCPTBPSQGIRF-NONVJHHQSA-N 394.874 2.870 0 40 GFAB Cn1c(=O)cc(C(=O)N2CCN(CCc3cccs3)CC2)c2ccccc21 508025809 HHYYSLXNHUISOI-UHFFFAOYSA-N 381.501 2.601 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 36709872 OIBIDBNVDAGZKD-UHFFFAOYSA-N 388.424 2.850 0 40 GFAB CCOC(=O)c1sc(Nc2ccc(NC(=O)/C=C\C(=O)O)cc2)nc1C 32573519 CSYWHSVHHGFLGT-HJWRWDBZSA-N 375.406 2.951 0 40 GFAB COC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409244071 XALJLPMRJQTGOU-WOJGMQOQSA-N 389.411 2.907 0 40 GFAB CCSc1nc2n(n1)[C@H](c1cnn(C)c1)[C@H](C(=O)Nc1ccccc1)[C@H](C)N2 36621370 CUODOWOBTTYGSB-APHBMKBZSA-N 397.508 2.782 0 40 GFAB Cc1nn(C)c(C)c1Cn1nc(C)c(NC(=O)Cc2ccccc2C(=O)O)c1C 71282841 OHZIWXSHFDDADB-UHFFFAOYSA-N 395.463 2.778 0 40 GFAB CC[C@H](C(=O)Nc1nnc(CCn2nc(C)cc2C)s1)n1nc(C)cc1C 36752575 QOJMQEAXUNFTJW-OAHLLOKOSA-N 387.513 2.997 0 40 GFAB CN(C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)c1ccccc1 72329641 LPAQVDGVDHXCDM-UHFFFAOYSA-N 389.415 2.726 0 40 GFAB O=c1/c(=C/c2ccco2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 31895973 VQLHHFPYONZRRL-BXWQOUMASA-N 385.448 2.959 0 40 GFAB CN(C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCN2CCO[C@H]1C2 564709038 MPCGGDSKMKLILV-IRXDYDNUSA-N 390.484 2.810 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 47081133 JIEJSPQUYSFMCQ-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957682 RPVLOYNMTOVDCN-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB COc1cccc(N2CCN(c3ncnc4cc(OC)c(OC)cc34)CC2)c1 40266392 VDUDPJGZTMKKPT-UHFFFAOYSA-N 380.448 2.982 0 40 GFAB O=C(O)c1coc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)n1 571645194 NSKFIYDVMOKQBB-UHFFFAOYSA-N 388.424 2.958 0 40 GFAB COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223258683 HLWRTHRNQUWADR-QFIPXVFZSA-N 398.503 2.808 0 40 GFAB CCOc1ccccc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225163793 CYESDTPVYMXWQE-QGZVFWFLSA-N 377.462 2.710 0 40 GFAB COc1ccccc1NC(=O)Cc1nnc(O)c2cc(-c3cccs3)nn12 96398002 HFGRULPOWNAPJX-UHFFFAOYSA-N 381.417 2.748 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(C(=O)O)cc1 95475632 QTOVEMKJCPIZDA-MRXNPFEDSA-N 389.433 2.877 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)C[S@@](=O)c3ccc(Cl)cc3)ccc21 1135800586 ZLAAFBIEEAGFDR-RUZDIDTESA-N 376.865 2.995 0 40 GFAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 683726553 QWFFUICWNHFVHO-GOSISDBHSA-N 387.505 2.935 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NCCn1ccnc1-c1ncccn1 96103898 SNYNOZWIXYAJDW-UHFFFAOYSA-N 392.246 2.842 0 40 GFAB O=C([C@@H]1CCc2ccccc2O1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414868 MNFFHZWQIJAVKS-WMZOPIPTSA-N 391.514 2.830 0 40 GFAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 585292855 SVKXFRQJOCIRPW-RXNMKEHESA-N 394.523 3.403 0 40 GFAB OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1cccc(Br)c1 585292708 NPJGFKKCWWWHBH-KZNAEPCWSA-N 380.257 2.909 0 40 GFAB COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C1CCN(C)CC1 46468538 YZLJJRLRJJKOSI-UHFFFAOYSA-N 397.313 2.973 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NCc1nn(C2CCCC2)c2c1CCCC2 96099246 SGTJMXOEGFJWHS-UHFFFAOYSA-N 378.498 2.960 0 40 GFAB COc1ccccc1NCCN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 5257778 ACRQDSAUZUZCAU-MRXNPFEDSA-N 391.855 2.832 0 40 GFAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccco1 11693924 ZIWMXYTYPQMDII-UHFFFAOYSA-N 383.795 2.847 0 40 GFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(O)(c2ccccn2)CC1 12114514 PHQHHCWUNXXMJA-UHFFFAOYSA-N 386.395 2.773 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)NC1(c2ccc3c(c2)OCO3)CCCC1 12155623 HSZQWTCBEUHNTE-UHFFFAOYSA-N 391.431 2.519 0 40 GFAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O 12968164 PPLPUJFQGFZGEP-GFCCVEGCSA-N 388.445 2.710 0 40 GFAB C[C@H](NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccc1 13585666 PFRZAPISUAYMCM-HNNXBMFYSA-N 390.486 2.765 0 40 GFAB CC1(C)c2nc(N3CCOCC3)sc2Cc2sc(N3CCOCC3)nc21 16605523 FCNWIIGEYQCIHQ-UHFFFAOYSA-N 392.550 2.503 0 40 GFAB COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 19719755 CISDBPZIUGVCJL-GOSISDBHSA-N 386.473 2.740 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)c2cscn2)C1 13266634 VIGMKJCITNZIRN-LLVKDONJSA-N 384.436 2.949 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(F)(F)F)cc1 102406393 MDCMBYYRVXSRSV-TUKIKUTGSA-N 398.381 2.938 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 2086988552 CHRNYLAUJWTHNS-UHFFFAOYSA-N 387.369 2.674 0 40 GFAB CC[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C 4061387 CJTJSYJBYUTTAL-ZDUSSCGKSA-N 385.493 2.742 0 40 GFAB CCc1ccccc1-n1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 4250602 KHQDFUIPCVCQDV-UHFFFAOYSA-N 379.464 2.665 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NC(C)C)cc1N(C)S(=O)(=O)c1ccccc1 7636126 PSPWIIWMTNWZIC-UHFFFAOYSA-N 396.534 2.815 0 40 GFAB Cc1csc(C(=O)N2Cc3nnn(C)c3[C@H](COCc3ccncc3)C2)c1 2055750804 ZPCOJVJJUOIFEU-HNNXBMFYSA-N 383.477 2.536 0 40 GFAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc1 22468390 INDPQVWTLNIAPO-MRXNPFEDSA-N 387.509 2.540 0 40 GFAB CN1CCN([C@H](CNC(=O)Nc2ccccc2)c2ccc3c(c2)OCO3)CC1 22577219 VBZZJVYJCQVMEO-GOSISDBHSA-N 382.464 2.526 0 40 GFAB Cc1nc(-c2nnc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)o2)cs1 49029264 DTYIECSLQQDKMV-UHFFFAOYSA-N 392.462 2.936 0 40 GFAB COc1cccc([C@H](CNC(=O)c2ccc3nsnc3c2)N2CCOCC2)c1 49408946 GHGMCSYZNQEPPT-IBGZPJMESA-N 398.488 2.503 0 40 GFAB Cc1nccc(O[C@H]2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)n1 575611692 GCSWIRFEAYVIDF-INIZCTEOSA-N 383.448 2.557 0 40 GFAB O=C(NCCn1nc(C2CC2)cc1C1CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 585300112 KDEHHFNGRUGDLZ-MRXNPFEDSA-N 396.466 2.946 0 40 GFAB CCCCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)OCC 2724008 AIWGIIMPOYDHPF-UHFFFAOYSA-N 394.472 2.803 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1CN1C(=O)CNC1=O 40033456 JAMVCIISYLNNRZ-UHFFFAOYSA-N 389.814 2.803 0 40 GFAB COc1ccccc1-c1n[nH]c(NC(=O)c2nc(SC)ncc2Cl)n1 40154196 CBKHDBIHKHYSBW-UHFFFAOYSA-N 376.829 2.898 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1 32759833 VBAFLYGPQGNJDK-DHZHZOJOSA-N 377.488 2.712 0 40 GFAB Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H](C)CN2CCOCC2)c1Cl 32929504 DKIQGGJWLHZYIO-LLVKDONJSA-N 381.325 2.609 0 40 GFAB Cn1cc(Br)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 688926 GERUVBUWSFKEFX-UHFFFAOYSA-N 383.677 2.798 0 40 GFAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(Cn2cncn2)cc1 23149644 CQDOUPYTTMKZSV-KRWDZBQOSA-N 375.432 2.856 0 40 GFAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3cccs3)CC2)CC1 23717969 CROGBAWHOZROPV-UHFFFAOYSA-N 387.505 2.538 0 40 GFAB COC(=O)c1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 24209507 ZMLCMROUSINCBW-HXUWFJFHSA-N 382.460 2.585 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN12 20263587 GMTQUPLCNPNNBD-MKXGPGLRSA-N 378.403 2.661 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)cc1 30993209 XKDVGMOMXIEQBU-OAHLLOKOSA-N 388.807 2.705 0 40 GFAB CCOc1cc(NC(=S)NC[C@@H]2CCCO2)c(OCC)cc1NC(C)=O 929402 CDFZZXAUMLSEOW-ZDUSSCGKSA-N 381.498 2.908 0 40 GFAB Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1372405 FVRCNGHTABUTSH-UHFFFAOYSA-N 388.489 2.586 0 40 GFAB COCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 3061482 BJYRINNUQDRHGN-FQEVSTJZSA-N 395.459 2.768 0 40 GFAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c1 2409207 PYCGUGIONBMUON-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1)[C@H]1C=C[C@H]2C1 101227397 ZZTMQFYXUCRZOR-LSOMNZGLSA-N 395.436 2.766 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1N1CCCC1 28924620 MIUWHSYHRFPOEH-OAQYLSRUSA-N 378.476 2.624 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8038968 HQQKYGJGFWTYEI-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 101176175 XJTOZJAEUQGOBW-DCXXXQMHSA-N 394.439 2.769 0 40 GFAB CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1 835644 YRWZUXAZLDMPRO-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB CCCCn1nc(C(=O)NCc2cccc(Cn3nc(C)cc3C)c2)ccc1=O 54031602 ACUIPLRSNNCLDX-UHFFFAOYSA-N 393.491 2.835 0 40 GFAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 22467788 HPZANWHPNNPPDR-NRFANRHFSA-N 382.504 2.837 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCS(=O)(=O)c1ccccc1 47422713 CLYYYJDTNFDENC-UHFFFAOYSA-N 385.485 2.728 0 40 GFAB Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CCOc4ccccc43)cn12 24315778 LCHOIPZHUUVAKL-GOEBONIOSA-N 379.416 2.828 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccc(F)cc2)cc1 22352150 AGGICPLXGOEVKR-UHFFFAOYSA-N 376.453 2.604 0 40 GFAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 25360352 UNVYTWCPMXAYHS-GOSISDBHSA-N 385.439 2.540 0 40 GFAB CCCNC(=O)CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 25467757 JRCWBDHLGXKYER-UHFFFAOYSA-N 388.777 2.801 0 40 GFAB COc1ccc([C@@H](NC(=O)CCNC(=O)c2ccsc2)c2nccn2C)cc1 12519843 ONBYFJRIAMVDCE-GOSISDBHSA-N 398.488 2.516 0 40 GFAB Cc1cc(=O)n2nc(COC(=O)c3cc(Cl)cc(Cl)c3N)sc2n1 21712950 RDTJRNUSGRZUIZ-UHFFFAOYSA-N 385.232 2.705 0 40 GFAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428741 QQSSWWBVDIGSNN-UHFFFAOYSA-N 385.489 2.863 0 40 GFAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 57424519 COUDZQQUCLDVFH-KRWDZBQOSA-N 385.551 2.932 0 40 GFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1910791 RZIVBCQHQSKEPF-SFHVURJKSA-N 398.390 2.628 0 40 GFAB O=C(c1cccn2ccnc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 58163502 RCZVAKHPGAZGGI-UHFFFAOYSA-N 375.354 2.711 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 10302157 IRSOJTZLCONBMB-LBPRGKRZSA-N 379.309 2.671 0 40 GFAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2cccc(OC)c2)cc1 3445454 PFVSWVQWFFELCU-CQSZACIVSA-N 384.432 2.558 0 40 GFAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 7805735 LVDWXTFARCXLCK-UHFFFAOYSA-N 398.406 2.852 0 40 GFAB COc1cccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)c1 4264008 DKHBUAHBQCWKJH-INIZCTEOSA-N 393.486 2.510 0 40 GFAB O=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)N1CCCCCC1 13722430 NDHVZWBCKMIOCR-UHFFFAOYSA-N 378.904 2.892 0 40 GFAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)N3CCN(c4ccccc4)CC3)nc2n1 16710307 OYIRBIWBUGYEQN-INIZCTEOSA-N 396.520 2.571 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1ccccc1Cl 5366950 TYJCFIGZTZOHKN-UHFFFAOYSA-N 378.837 2.512 0 40 GFAB CCOc1cc(C(=O)NCCC(=O)N2CCCC2)cc(Br)c1OC 14112858 UYNLXSLKSCQSFP-UHFFFAOYSA-N 399.285 2.599 0 40 GFAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cc(Br)ccc1OC 14163394 OGKRDRHLWDSXGN-AWEZNQCLSA-N 383.242 2.943 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1Cl 4511268 KDNSKGYZZJWBRN-UHFFFAOYSA-N 388.917 2.664 0 40 GFAB CCN1CCN(c2ccccc2NC(=O)N2CCC(c3nc(C)no3)CC2)CC1 65817328 BTUKAWZWXQNJBH-UHFFFAOYSA-N 398.511 2.931 0 40 GFAB Cc1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c(=O)n(-c2ccccc2)n1C 8749257 JRMFGGRQACHOJE-MRXNPFEDSA-N 394.406 2.688 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)cc1 18232169 GLOMVCVEGQVZAI-OAHLLOKOSA-N 392.459 2.673 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccc(Cl)cc1 9547531 RAIPZFXCYKJSFX-SFHVURJKSA-N 399.878 2.900 0 40 GFAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)NCCOc1cccc(C)c1 8945684 AYIKIHZISXSKGJ-UHFFFAOYSA-N 384.432 2.730 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 19797429 PHAIFSUZDKTDDD-CQSZACIVSA-N 398.484 2.981 0 40 GFAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2cc(C)on2)s1)C1CC1 9337562 LXBLAMNOSVOUSC-SECBINFHSA-N 381.483 2.859 0 40 GFAB Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCCSCc1ccccc1 72287768 VATRICQGHFGMBV-IBGZPJMESA-N 381.505 2.815 0 40 GFAB CCOC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)ccc1Cl 409049350 WHSVKBQXSXXIDM-YXUGBTPSSA-N 375.808 2.740 0 40 GFAB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 408555160 DZVRMRXQOCVUSG-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)C2)n1 525992984 XSVUDDXHLRBEPF-VPELZNNFSA-N 391.515 2.961 0 40 GFAB COc1ccc([C@@H](NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C2CC2)cc1 35316724 UCLOYTNDYAJVRH-IBGZPJMESA-N 399.491 2.859 0 40 GFAB O=C(c1cnccn1)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1 72378201 CPKFVRSVUVHIAT-KRWDZBQOSA-N 389.463 2.890 0 40 GFAB CCSC1=NC2(CCN(S(=O)(=O)CC)CC2)N=C1c1ccc(OC)cc1 7006424 URXKIBNZZWOJKJ-UHFFFAOYSA-N 395.550 2.791 0 40 GFAB CCOc1ccccc1CNC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219724258 SJZKYENQDHTCRB-UHFFFAOYSA-N 390.505 2.802 0 40 GFAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1OC 32124480 JZWDUDALYOZMHO-HNNXBMFYSA-N 383.404 2.823 0 40 GFAB biogenic COCc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)ccc2[nH]1 44920992 NCRCIAKJVXCQMK-ZDUSSCGKSA-N 394.431 2.710 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)c(-n4cnnn4)c3)c2c1 79474575 ZWQYIAYERCHOCE-UHFFFAOYSA-N 396.838 2.778 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(C(C)=O)s2)cc1 225674421 ZNJHTCKAHBZHAB-UHFFFAOYSA-N 382.463 2.650 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1cccc(C(F)(F)F)c1 223486763 LPDOONQCSAAKMD-GASCZTMLSA-N 380.366 2.663 0 40 GFAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(C)cc1 223141511 MUYQBUKSLGQUGB-ZDUSSCGKSA-N 382.511 2.871 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(F)cc1 137791484 PFEPIJVNEYLXHO-UHFFFAOYSA-N 376.453 2.598 0 40 GFAB CCC(C)(C)NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 223085294 WMHLLIWBAXYBFP-UHFFFAOYSA-N 382.526 2.717 0 40 GFAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCN)C[C@@H]2OC(=O)C(Cl)(Cl)Cl 85398708 RFTGQCIGPGBFLY-FZZIBODNSA-N 385.719 2.560 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C)C)cc2)cc1F 225117941 WNPQQWFFJPEGQC-UHFFFAOYSA-N 397.424 2.901 0 40 GFAB CC(C)n1ncc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CNC4=O)cc21 574425125 SVHFZYLMCZPHOT-UHFFFAOYSA-N 377.404 2.551 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1 224260938 AWMGQOXRZYMYOZ-OUCADQQQSA-N 392.506 2.566 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 223005553 ORCOQVZAGUCSLA-OALUTQOASA-N 388.537 2.765 0 40 GFAB Cn1nccc1-c1cnc2n1CCC21CCN(C(=O)COc2ccccc2)CC1 96263435 ILKPRDWWZLGRPF-UHFFFAOYSA-N 391.475 2.627 0 40 GFAB CC(C)n1cnc2c1[C@H](C(=O)NCc1ccncc1)N(Cc1cccnc1)CC2 96147246 MXAUFGQWFCZHNV-OAQYLSRUSA-N 390.491 2.670 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 257223878 DZIFUSJVXJGAFW-OAHLLOKOSA-N 378.411 2.708 0 40 GFAB CO/C(=C\c1ccccc1)C(=O)NCc1ccccc1CN1CCC[C@H]1CO 585079490 ZNRUOTNHLCFBPV-ODLJZMMESA-N 380.488 2.947 0 40 GFAB Cn1cc(CN2CCO[C@H](C(F)F)C2)c(-c2ccc3c(c2)OCCCO3)n1 585080718 ZXSXJFVFXKYUPJ-KRWDZBQOSA-N 379.407 2.714 0 40 GFAB CNS(=O)(=O)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)s1 619295958 PUJBJCHAFCZEIX-MRXNPFEDSA-N 393.534 2.949 0 40 GFAB CN(C)CCOc1cc(-c2noc([C@]3(C)COc4ccccc4O3)n2)ccn1 624540023 ARGGRQXNIOVNOA-FQEVSTJZSA-N 382.420 2.759 0 40 GFAB CCO[C@@H](CS(=O)(=O)N1CCC2(CC1)OCCc1ccccc12)C1CC1 625243368 LAZQBUQPDPYCLP-IBGZPJMESA-N 379.522 2.695 0 40 GFAB Cc1c(-c2nc(CCN(C(C)C)S(C)(=O)=O)no2)nc(O)c2ccccc12 655971910 QLBDWFFAXQYVQB-UHFFFAOYSA-N 390.465 2.511 0 40 GFAB CSC1(CNC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CCOCC1 597300181 XRDMZXUGDZUFHB-KRWDZBQOSA-N 376.522 2.695 0 40 GFAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 603483020 YNEPMAVLWYDOTI-LJQANCHMSA-N 376.478 2.738 0 40 GFAB CN(C)C1(CNC(=O)c2ccn(-c3cccc(F)c3)n2)Cc2ccccc2C1 607534392 NOJHIHYDICJLBZ-UHFFFAOYSA-N 378.451 2.840 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(F)C1)C2 585107023 OMHMSTCXBRYQJR-BUNACBEFSA-N 384.455 2.514 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)ccc1OC 44250171 MDYMGKGZBNGNMZ-QGZVFWFLSA-N 388.489 2.753 0 40 GFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 5218864 CQLYEIBPDIETFE-OAQYLSRUSA-N 399.397 2.859 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCOCC2)cc1 5689318 XNPMDNGLIBPCJF-UHFFFAOYSA-N 378.432 2.970 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(c3nc(C)nc4ncccc34)CC2)cc1 13228079 HGBVQCNWBIQEGE-UHFFFAOYSA-N 398.488 2.910 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2OC)cc1 13633302 NKWQFVISUICXSA-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC/C=C/c1ccccc1 14109703 YCJJLBIKKCEJFP-FNNXTJRKSA-N 376.412 2.852 0 40 GFAB CCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 19523391 LUHPXIGUFGJWRD-MRXNPFEDSA-N 376.464 2.564 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)c3cn4cc(Cl)ccc4n3)CC2=O)cc1 19716851 KZLWAGZKEGGKTD-CYBMUJFWSA-N 384.823 2.532 0 40 GFAB COC(=O)/N=c1\[nH]c2ccc(C(=O)c3ccccc3C(=O)OC(C)C)cc2[nH]1 1512210 BIPNCPGEFPSFPH-UHFFFAOYSA-N 381.388 2.959 0 40 GFAB COc1ccc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c(OC)c1 19240320 CKNVRNRZDCCZPI-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2cccc(OC)c2OC)c1 19552661 KUYCDPAGFSKYKB-XLIONFOSSA-N 388.439 2.961 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1ccccc1Cl 1888978157 ILTYDLNLYCASQM-MRXNPFEDSA-N 377.853 2.538 0 40 GFAB Cc1cc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)nc(C2CC2)n1 1889186336 VIJMEKBWCVQMQK-UHFFFAOYSA-N 390.495 2.582 0 40 GFAB O=C(COc1ccc(F)cc1Cl)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 26421447 BCWUHHMCIHHEDA-AWEZNQCLSA-N 389.876 2.816 0 40 GFAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1cc(F)ccc1F 245053516 OXWGVKXEXFNKTJ-GOSISDBHSA-N 392.383 2.610 0 40 GFAB CCCCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OCC)cc3)c2n1 5271122 MBKLATOICLYOKB-UHFFFAOYSA-N 383.452 2.729 0 40 GFAB CCn1cc(C(=O)OCC(=O)Nc2ccccc2C)c(=O)c2ccc(C)nc21 6635281 KMCXAWUGWMCLQC-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB COc1cccc(CNC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c1 9069324 XPCGJENGFJVDNT-UHFFFAOYSA-N 395.503 2.971 0 40 GFAB CCOc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 9040678 JFIBHJKPSYEWAX-AWEZNQCLSA-N 397.431 2.989 0 40 GFAB O=C(CSc1nnc2n1CCN2c1ccccc1)NCCc1ccccc1 9573930 ZLAISNVOPNXHRG-UHFFFAOYSA-N 379.489 2.881 0 40 GFAB O=C(c1ccccc1)[C@H]([C@H](c1cccs1)N1CCOCC1)N1CCOCC1 19863962 OYUZHUSQRQRGSA-PMACEKPBSA-N 386.517 2.705 0 40 GFAB Cc1ccc(CNC(=O)CN2CCc3[nH]c4ccc(C)cc4c(=O)c3C2)cc1 48987728 JGAKUCYNDBOMQX-UHFFFAOYSA-N 375.472 2.819 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1 207997400 YQDOOMOQEPAJAB-QGZVFWFLSA-N 393.399 2.762 0 40 GFAB Cn1ccc(C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 575615456 FWWYUPUVGCGNTN-UHFFFAOYSA-N 384.299 2.751 0 40 GFAB CCN(CC)[C@@H](CNC(=O)Cn1nc(C)c2ccccc2c1=O)c1ccccc1 24983705 DKKHZOYPINPANO-NRFANRHFSA-N 392.503 2.904 0 40 GFAB CCOc1ccc(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)nc1 79052103 WSZQLBQKIRHQLQ-UHFFFAOYSA-N 389.521 2.604 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(Br)n1 79112117 QRTSNLOUTUELAS-UHFFFAOYSA-N 379.182 2.932 0 40 GFAB CC(C)NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25355427 ZNODTYRCMKSVSB-UHFFFAOYSA-N 378.826 2.791 0 40 GFAB COC(=O)c1ccccc1NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC 4090101 XICFDKXZTOTYHA-GOSISDBHSA-N 395.415 2.860 0 40 GFAB biogenic O=C(CN1CCN(c2ncccn2)CC1)N[C@@H](c1ccccc1)c1cccs1 35392633 AOKFDDORRDLWMD-FQEVSTJZSA-N 393.516 2.566 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(C)cc4)CC3)CC2=O)cc1 57416723 BICQODUFSVTOHK-SFHVURJKSA-N 393.487 2.705 0 40 GFAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)cc1Cl 57520899 WJFKINNZBRMWSO-UHFFFAOYSA-N 378.841 2.952 0 40 GFAB CCOc1cccc([C@@H](C)NC(=O)CSCC(=O)Nc2cc(C)on2)c1 58178631 CEKJKCPWTALCLT-CYBMUJFWSA-N 377.466 2.931 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 8038083 DWBZFBRSUKJOBL-INIZCTEOSA-N 396.443 2.847 0 40 GFAB Cc1ccccc1N(CC(=O)OCc1cc(-c2ccco2)on1)S(C)(=O)=O 8564960 JHHSZVPYWLBPPW-UHFFFAOYSA-N 390.417 2.752 0 40 GFAB COc1ccc(OC)c([C@@H]2N=c3c(sc(=S)n3-c3ccccc3)=C(O)N2)c1 102803619 RPACCNXYWDHHNN-MRXNPFEDSA-N 399.497 2.831 0 40 GFAB Cc1cc2oc(=O)cc(COC(=O)Cc3n[nH]c(=O)c4ccccc34)c2cc1C 10913706 CZNHESVGZHQZAH-UHFFFAOYSA-N 390.395 2.932 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 11000678 VSLGBGCLVYQKRJ-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB C[C@H]1CCCCN1C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 95373509 MSOFEZOZTRHCCO-INIZCTEOSA-N 379.526 2.820 0 40 GFAB NC(=O)Cc1ccccc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 45724958 PVMPTKRDAAYCJY-UHFFFAOYSA-N 389.839 2.851 0 40 GFAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@H](C)c2ccccc2Cl)CC1 29689529 ZKXKUIYPOQXQAV-ZIAGYGMSSA-N 389.935 2.613 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 47385282 WDMCISAGXLCMET-GOSISDBHSA-N 391.431 2.946 0 40 GFAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 89821058 NHCDQQGSBILRPW-HNNXBMFYSA-N 384.440 2.700 0 40 GFAB C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1nc2ccccc2[nH]1 12560314 OYBRBLATLULFIL-DOTOQJQBSA-N 376.460 2.831 0 40 GFAB c1cc(CSc2nnnn2C2CC2)cc(CSc2nnnn2C2CC2)c1 12782403 VDNRMOBHWABMNV-UHFFFAOYSA-N 386.510 2.914 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)n1 95475479 NARTUKUZUNZCRG-UHFFFAOYSA-N 393.535 2.654 0 40 GFAB CCCCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)c2ccccc2)C1=O 12876718 GZNXTBLYJLOVKE-UHFFFAOYSA-N 393.443 2.811 0 40 GFAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCc1cccs1 63396591 KXFVKBZTXDQGJH-UHFFFAOYSA-N 375.450 2.551 0 40 GFAB COc1ccc(CCNC(=O)CCC(=O)NCc2ccc(F)cc2)cc1OC 9434378 OEYZCYUYXYGJAH-UHFFFAOYSA-N 388.439 2.598 0 40 GFAB Cc1nc2ncnn2c(O)c1CCC(=O)NCc1ccc(Cl)c(Cl)c1 13724634 TYKMXIDZAXJEMV-UHFFFAOYSA-N 380.235 2.694 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408602786 IXUNVXGKMHSTIV-LLVKDONJSA-N 398.868 2.663 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 6638366 BZWSKATURMSRRQ-MRXNPFEDSA-N 388.445 2.597 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC)cc2)c1 6790435 UHRWRHOYZNCPFE-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB CCCCN(C(=O)C[C@@H](C)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O 14822641 ZAMPHWCLEQSHON-OAHLLOKOSA-N 386.496 2.856 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1cccnc1 6980246 WPQBXBCOQUSIIX-ZDUSSCGKSA-N 392.436 2.950 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 15190961 SIZCNXOHFGAQSQ-UHFFFAOYSA-N 391.349 2.841 0 40 GFAB COc1ccc(CCN2C[C@@H](C(=O)NC3CCCCCC3)CC2=O)cc1OC 9690610 SLWRMXRSHRBLJB-KRWDZBQOSA-N 388.508 2.934 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 15636450 HXYBOAWMANKCGP-UHFFFAOYSA-N 379.507 2.915 0 40 GFAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3F)cc2)C1=O 15843195 ULCHGRFBBBKUJP-UHFFFAOYSA-N 376.409 2.781 0 40 GFAB CCn1c(S[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)nnc1C1CC1 7841304 FKYQPIWVSGCWKN-LBPRGKRZSA-N 390.509 2.990 0 40 GFAB CN(CC(=O)Nc1ccnn1C1CCCCC1)S(=O)(=O)c1cccs1 8405408 FFQMWOUWIAFXBT-UHFFFAOYSA-N 382.511 2.709 0 40 GFAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)s1 18010555 QYEKUAKGOAYUDR-TXEJJXNPSA-N 395.506 2.502 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc2c(c1)OCCO2 8745249 RLAWUDSCORBHMJ-UHFFFAOYSA-N 385.401 2.941 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O 8990434 AUGCXNDYWSFADM-QAPCUYQASA-N 383.448 2.822 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CN2Cc3ccccc3C2)cc1 89444307 MIXOUXRMWYYKSW-HXUWFJFHSA-N 379.460 2.641 0 40 GFAB Cc1cc(C)cc(N(CCCC(=O)NCc2ccccn2)S(C)(=O)=O)c1 113966823 ODZJFGNCUSKEED-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB CN(C)C(=O)c1ccc(-c2noc(-c3ccc(C(=O)NC4CC4)cc3)n2)cc1 547029677 NVESZVIVBXBJMV-UHFFFAOYSA-N 376.416 2.998 0 40 GFAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccn[nH]3)c3c(C)nn(C)c3n2)cc1 36616309 IVOJLBFFBZYPKM-UHFFFAOYSA-N 390.447 2.948 0 40 GFAB CC(C)n1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 32093362 UAYYYAZPSPALDK-UHFFFAOYSA-N 383.473 2.785 0 40 GFAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c1O 31860768 RBEXOAWNMJODKC-JYYJXNPCSA-N 399.443 2.948 0 40 GFAB Cc1cnn(CCNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1 36616087 HNGGBNLIAGTCFA-UHFFFAOYSA-N 380.477 2.940 0 40 GFAB O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3cccs3)cc2)n1 71003112 GYABSLMDGVEOKF-UHFFFAOYSA-N 382.449 2.649 0 40 GFAB COC(=O)c1cccc(NCC(=O)NCCc2ccc(OC(F)F)cc2)c1 48354086 NFMIQRYIIGYNFS-UHFFFAOYSA-N 378.375 2.845 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)Nc1cnc(N2CCOCC2)nc1 224250076 PUGQKUBKJMHPTM-UHFFFAOYSA-N 383.235 2.638 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@H](OC)c1ccc(Cl)s1 225706415 NCCRMWCZTJTTNP-QMMMGPOBSA-N 395.911 2.916 0 40 GFAB O=C(NCC(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1)c1ccccc1 225728671 RIAHRBPOISXIRO-HNNXBMFYSA-N 393.365 2.510 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 224105890 UFRXSJHLONHGLF-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB CCCNC(=S)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225885488 UMGAQGMXZYOZIQ-UHFFFAOYSA-N 398.536 2.530 0 40 GFAB O=C(Cc1cccc(F)c1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 97674636 KBQYRJYEAKTGKY-MHWRWJLKSA-N 385.420 2.616 0 40 GFAB Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccnc3c2ncn3C)cc1 585083633 UEBNSFYUYYFQKU-UHFFFAOYSA-N 391.475 2.936 0 40 GFAB CC(C)C(=O)N(C)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O 257264021 LSMZVFLCKPKRFJ-BDXSIMOUSA-N 392.496 2.575 0 40 GFAB Cc1nc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc(-n2cccc2)n1 90607834 ARGWTNASUHEZSU-UHFFFAOYSA-N 379.439 2.606 0 40 GFAB CC(=O)N[C@@H]1CN(Cc2ccc(OC(C)C)c(Cl)c2)C[C@H]1c1nccn1C 1615553459 RVNLRNUYKWCYPI-SJLPKXTDSA-N 390.915 2.965 0 40 GFAB CC[C@H]1OC2(CCN(c3ncnc4cc(Br)ccc34)CC2)NC1=O 1615589830 LEXLCEKDOWCDFV-CQSZACIVSA-N 391.269 2.614 0 40 GFAB COc1ccc(CCC(=O)NCC2(NC(=O)Cc3ccon3)CCCCC2)cc1 1615610456 DBHOYQONMZWUNA-UHFFFAOYSA-N 399.491 2.794 0 40 GFAB CN1CCC[C@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn34)s2)C1 585263124 MWRKTKAVSSSKHK-LBPRGKRZSA-N 375.885 2.935 0 40 GFAB CONC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 30867279 JHJFFWJULJKLAX-ICSRJNTNSA-N 384.432 2.866 0 40 GFAB COc1ccc(CNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1OC 30997836 KBGHJUOUUWXUEW-UHFFFAOYSA-N 383.448 2.830 0 40 GFAB COc1ncccc1C(=O)N1CC[C@H](Oc2ccncc2Br)C1 1776001827 NCAAXPVDCWDQKL-NSHDSACASA-N 378.226 2.541 0 40 GFAB C[C@H](Oc1ccc(CO)cc1)c1cn([C@@H](C)C(=O)NCc2ccc(F)cc2)nn1 640887641 OCIVLZLFCDBZGL-GJZGRUSLSA-N 398.438 2.927 0 40 GFAB O=C1CC[C@H](c2cccc(NC(=O)N[C@H]3CCN(c4ccccc4)C3=O)c2)N1 568608631 QGIIVCINPOAGTC-MSOLQXFVSA-N 378.432 2.565 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 12979806 IZZWVQIWSMLEFE-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)c(C)c1 12991672 WXGZHIXMOKSZJE-HXUWFJFHSA-N 388.533 2.964 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3OC)ccc21 13584066 JOWNDIKORRUNQL-UHFFFAOYSA-N 388.489 2.728 0 40 GFAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)ccc2n1C 19286519 FEBBBCGNZZCGSB-FQEVSTJZSA-N 390.491 2.637 0 40 GFAB Cn1nc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1C(F)(F)F 19288736 VIQGKHAOYODUPE-UHFFFAOYSA-N 396.417 2.777 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19293689 XPIVDRPRQSQWTC-INIZCTEOSA-N 378.407 2.530 0 40 GFAB COc1ccc([C@@H](C)NC(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)cc1F 19458624 NOPGOCKHDJIZBZ-WBMJQRKESA-N 391.443 2.655 0 40 GFAB Cc1cnn(CCC(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)c1 19712811 VOOBADHXMSFJLW-JQVVWYNYSA-N 398.482 2.774 0 40 GFAB CSc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 19936665 JNKHCVKNOQNWLS-LLVKDONJSA-N 378.475 2.893 0 40 GFAB CN(C)c1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cnn1 206724417 NAGMNZNYWOJTPB-UHFFFAOYSA-N 378.839 2.689 0 40 GFAB CC(C)OC(=O)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)o1 3338307 WDTNBWUNRGJAAS-FQEVSTJZSA-N 384.388 2.575 0 40 GFAB COc1cc(COC(=O)Cc2n[nH]c(=O)c3ccccc23)ccc1OC(F)F 7138696 PVFICFFXRFULAA-UHFFFAOYSA-N 390.342 2.819 0 40 GFAB COc1ccccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 238924170 UMCXUMIOMNUZSP-IRXDYDNUSA-N 399.472 2.959 0 40 GFAB COc1ccc(CCNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1OC 1427294 FTKKMTGZOGNDRH-SFHVURJKSA-N 386.473 2.866 0 40 GFAB O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cccs1 4519380 PMCIQWKCNJXAQE-OAHLLOKOSA-N 397.499 2.835 0 40 GFAB CCOC(=O)CC(=O)CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1 4851294 CLWBSPKMBGGXIA-UHFFFAOYSA-N 398.441 2.936 0 40 GFAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 12422561 GQXYFBVWLHUCTI-UHFFFAOYSA-N 386.481 2.572 0 40 GFAB Cn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc3c(cc21)OCO3 101022475 PINXGNNSPZVUED-SQFISAMPSA-N 388.879 2.973 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3ccco3)CC2)cc1 207008341 BPYKJVUITFSNTQ-KRWDZBQOSA-N 394.518 2.850 0 40 GFAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 225633812 QHXMQWAANHFCIK-MAUKXSAKSA-N 380.400 2.897 0 40 GFAB COCCc1noc(-c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)c2)n1 49007562 GJYBUVZVQVZFPI-UHFFFAOYSA-N 396.447 2.651 0 40 GFAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncnc4cnccc34)CC2)cn1 2298082374 WQYDHYQCCJRYHL-UHFFFAOYSA-N 391.479 2.731 0 40 GFAB COc1ccccc1-c1n[nH]c(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)n1 40154200 YHSIXGYRHBQVMV-UHFFFAOYSA-N 395.419 2.564 0 40 GFAB COCCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc(C)c1C 50247953 RFXCOLUYMRPVDK-QGZVFWFLSA-N 376.526 2.974 0 40 GFAB CCOc1ccc(N2C(=O)C[C@@H](NNc3nc4ccccc4s3)C2=O)cc1 100416700 DLNPDSVWVHPIMM-OAHLLOKOSA-N 382.445 2.944 0 40 GFAB CCN(CC)CCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O 100630028 MOHICZWCIHQMGW-UHFFFAOYSA-N 393.487 2.827 0 40 GFAB biogenic,in-vitro Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1F 52129726 VBEJSUSFDCXSNW-KRWDZBQOSA-N 395.478 2.870 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccccc2F)cc1 857924 AIJLYPORGUWYNV-UHFFFAOYSA-N 376.453 2.952 0 40 GFAB COC(=O)c1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(C(=O)OC)c1 865053 OUZAMIUVWNIIQH-GQCTYLIASA-N 383.356 2.640 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc43)C2)cc1 1325238 DPOVUMICDGTIFQ-GOSISDBHSA-N 384.501 2.985 0 40 GFAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)s2)cc1 1516596 WRIZHGKHWUAURO-UHFFFAOYSA-N 382.511 2.910 0 40 GFAB O=C(O)CNC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 2368472 LMZLFMBFJHPFJO-UHFFFAOYSA-N 393.182 2.608 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1OC 3402447 RQNDBLLTTNZYPJ-UHFFFAOYSA-N 391.851 2.802 0 40 GFAB CCNC(=O)NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C 3518375 ALCSDZJPCZWMDX-UHFFFAOYSA-N 383.198 2.506 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NC1CCCCC1 4074045 XEFFYGAARLTFDL-DJJJIMSYSA-N 376.478 2.723 0 40 GFAB biogenic COC(=O)c1ccccc1NC(=O)c1cccn(OCc2ccc(F)cc2)c1=O 4325957 DRABGMVOPWRLDN-UHFFFAOYSA-N 396.374 2.655 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 4778374 XKCDWTMRJOPTJI-CQSZACIVSA-N 392.477 2.708 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885508 GSMHWGACMCKVET-KEXUJGGDSA-N 392.455 2.767 0 40 GFAB CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 4965010 RMSCGGZWBXKJQN-HNNXBMFYSA-N 376.457 2.938 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 5002449 IPEZBNXJRRTLON-UZLBHIALSA-N 386.473 2.963 0 40 GFAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)s1 5150578 WVTWIBZPIMKWHI-UHFFFAOYSA-N 389.429 2.973 0 40 GFAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)O)CC1 5324201 OLFVZVGVTVPTMT-KRWDZBQOSA-N 388.464 2.672 0 40 GFAB COc1cc(C(=O)OCC(=O)c2ccc(OC(C)=O)cc2)cc(OC)c1OC 6186442 MGSOBWYMOCZBAQ-UHFFFAOYSA-N 388.372 2.677 0 40 GFAB Cc1ccc(NC(=O)COc2ccc([C@H]3CC(=O)Nc4ncnn43)cc2)cc1C 6205676 BFPSKEJFXIOJKS-GOSISDBHSA-N 391.431 2.844 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)s1 6266592 NLXFDUHSTYUARX-UHFFFAOYSA-N 386.882 2.675 0 40 GFAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 6313463 IUNKCFMPPVLNDS-QXUMQBBKSA-N 382.460 2.738 0 40 GFAB CCN(C(=O)CSc1nc2ccccc2n1C(C)C)[C@H]1CCS(=O)(=O)C1 6566903 STFJBIHOEVODLL-AWEZNQCLSA-N 395.550 2.745 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1cccnc1 6980248 WPQBXBCOQUSIIX-CYBMUJFWSA-N 392.436 2.950 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)no1 7095190 TXGXKLWWNZBFMX-LLVKDONJSA-N 396.432 2.525 0 40 GFAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2O1 7253140 YISXWYMLEQUJFL-MRXNPFEDSA-N 394.258 2.946 0 40 GFAB CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1N1CCOCC1 7788428 IQKCAQZSHSLNBA-UHFFFAOYSA-N 389.525 2.863 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)N1CCCC1 7989348 SNYQFONRBUNFRL-INIZCTEOSA-N 391.512 2.743 0 40 GFAB CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S 8091613 GRKFYXOGBYHDPW-WQLSENKSSA-N 391.246 2.966 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 8158336 PZOBRDPIDKZILM-UHFFFAOYSA-N 388.367 2.631 0 40 GFAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccccc2)c(=S)n1C 8570981 QXUAFWNCWMLMTB-UHFFFAOYSA-N 395.488 2.828 0 40 GFAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(-n2cnnn2)cc1 9367229 IODCCBWGCQJJGN-UHFFFAOYSA-N 387.325 2.670 0 40 GFAB Cc1cccc(OCCNC(=O)CNC(=O)c2ccccc2Br)c1 9384788 FBZZSUBECBOQTK-UHFFFAOYSA-N 391.265 2.683 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)O)C3)c(=O)oc2c1C 9576231 QFQWHCAVHSEGMD-CQSZACIVSA-N 387.432 2.674 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2c(C)noc2C)c1C 9723636 GGCQGSQEGRNTLA-UHFFFAOYSA-N 379.482 2.730 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2Cl)Oc2ccccc21 10009083 QCQANHUXAPIVQJ-MRXNPFEDSA-N 380.853 2.896 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc(F)cc4)cnc32)cc1C 10252137 IWGKWKHTVUUIBP-UHFFFAOYSA-N 391.406 2.651 0 40 GFAB Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 11003572 QMEWBVIWVXVBTL-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 11615485 NQLKMRPXRZDUCA-UHFFFAOYSA-N 386.260 2.985 0 40 GFAB Cc1cc(OCC(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc(C)c1Cl 12143543 WPGNZVUVLONIIB-UHFFFAOYSA-N 391.899 2.894 0 40 GFAB COCc1ccc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc1 12144069 RFULDSFAJRFSHV-UHFFFAOYSA-N 388.489 2.651 0 40 GFAB CCn1nc(CC(=O)N2CCCC[C@H]2CN2CCCCC2)c2ccccc2c1=O 12238141 NNKOMRQETMJKHA-SFHVURJKSA-N 396.535 2.826 0 40 GFAB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 12627618 DBYRTMASYRLLKF-GFCCVEGCSA-N 397.362 2.924 0 40 GFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NC1CCC(C)CC1 12920360 CLCJNVSLMYXHHB-HTWSVDAQSA-N 378.538 2.998 0 40 GFAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 13013619 PNFHMTMIKOXYKR-UHFFFAOYSA-N 396.896 2.537 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225346 WRHXPKLPYDWXOR-KRWDZBQOSA-N 391.475 2.553 0 40 GFAB CCOC(=O)C1CCN(C(=O)COc2ccc3c(c2)OC(C)(C)CC3=O)CC1 13732253 VPROIPRJRGOJCL-UHFFFAOYSA-N 389.448 2.611 0 40 GFAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 15615664 NAKRIHDIVVMRPB-UHFFFAOYSA-N 379.409 2.708 0 40 GFAB COc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)ccc1Cl 16780343 NWJBJKXZSGQCIT-UHFFFAOYSA-N 385.869 2.887 0 40 GFAB COc1ccc([C@@H]2CN(C(C)=O)[C@H]3CCN(C(=O)c4ccccn4)C[C@H]32)cc1 19019488 OZZXZQZKILLJGM-ZJOUEHCJSA-N 379.460 2.567 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19078773 YJCLPKUGIOVFLJ-AUUYWEPGSA-N 384.455 2.735 0 40 GFAB Cc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1 19210750 PLUDSJRTHPBDAA-IBGZPJMESA-N 380.492 2.952 0 40 GFAB CCc1oc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1CN1CCOCC1 19521504 CDWGUNYMQKXSHH-UHFFFAOYSA-N 395.463 2.566 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)c4csc(C)c4)CC3)ncc2C1 19571695 OGKQLNRTATVMTM-UHFFFAOYSA-N 384.505 2.771 0 40 GFAB CNc1cc([C@H](Cc2ccccc2)NC(=O)COC)nc(-c2cccnc2)n1 19592148 YTEZPLZTZJHBSW-KRWDZBQOSA-N 377.448 2.627 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)c1 19665810 CIPSMFIUISSEIO-UHFFFAOYSA-N 377.448 2.713 0 40 GFAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 19710992 ILIXUBPXJUUBQH-MRXNPFEDSA-N 398.511 2.779 0 40 GFAB CN(C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)C1CCCCC1 20111561 JENWURPWGHKPKF-UHFFFAOYSA-N 396.509 2.753 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(CN2CCOCC2)c1 20483335 CFPZYEABQJYUQX-UHFFFAOYSA-N 376.460 2.635 0 40 GFAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 22310641 LBVFNNNOVHFTAQ-SNVBAGLBSA-N 379.309 2.842 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22805102 HDSRKVJUEYHTJC-UHFFFAOYSA-N 379.504 2.995 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 23731843 NIPKDNSDPKSSHB-OAQYLSRUSA-N 397.500 2.671 0 40 GFAB CC(C)(CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)N1CCOCC1 24600855 YVEGMGOTBLNISF-UHFFFAOYSA-N 396.487 2.523 0 40 GFAB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 32126396 QFAJGAXGYRDCHR-UHFFFAOYSA-N 376.829 2.733 0 40 GFAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F 32639774 QRTCRLWIJBVZPH-PWSUYJOCSA-N 393.303 2.683 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 35597685 RQKKKNNKYNUIOL-UHFFFAOYSA-N 389.433 2.907 0 40 GFAB Cc1oc(C(=O)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCC1 40132337 XTUGIVNLAJELMF-UHFFFAOYSA-N 380.491 2.633 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44933582 SCXDIDYYHTUJHQ-KXBFYZLASA-N 388.489 2.790 0 40 GFAB CC[C@@H](CNC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O)c1ccccc1 47330737 ULPAKHKYSOVASM-INIZCTEOSA-N 376.460 2.993 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(OCc3nccn3C)cc2)n1 48235146 SHOGLXQQXGRYLG-HNNXBMFYSA-N 381.480 2.879 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1NC(C)=O 56104329 NQMQYXQSHXMJLU-UHFFFAOYSA-N 392.477 2.919 0 40 GFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 57173400 ZBFMLIVMUMZNGP-DYVFJYSZSA-N 376.453 2.731 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 57336087 PLAKXZWFYNCVPI-UHFFFAOYSA-N 399.466 2.793 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O 57427249 CNYZIHHBIFCFQQ-UHFFFAOYSA-N 399.516 2.774 0 40 GFAB Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1 57670367 XTDGOZLJCMHBSN-FPOVZHCZSA-N 398.555 2.988 0 40 GFAB CC(C)[C@H](Oc1ccc(Br)cc1)C(=O)N(C)CC(=O)N1CCCC1 58224102 BRDHSIAUHODJJP-KRWDZBQOSA-N 397.313 2.933 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1CCC[C@H]1c1nnc2n1CCCCC2 58299694 VQOMHIXMBMSCFQ-INIZCTEOSA-N 378.473 2.811 0 40 GFAB COC(=O)c1cc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c(F)cc1F 58309930 QRWOFBCTZHXVRC-STQMWFEESA-N 398.406 2.943 0 40 GFAB COc1cccc(OC)c1OC[C@H](O)CNC(=O)Nc1cc(C)ccc1F 58357289 MNNBYPWJRFUABN-CYBMUJFWSA-N 378.400 2.713 0 40 GFAB O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1ccc2c(c1)OCO2 67260777 RDXVRAPCNBSAPW-UHFFFAOYSA-N 389.367 2.669 0 40 GFAB O=C(O)CN1C(=O)/C(=C/c2ccc(Br)cc2F)SC1=S 69981161 NWPHAWCVQADSIZ-OQFOIZHKSA-N 376.228 2.874 0 40 GFAB C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(=O)n(C)n2)[C@@H]1C 71809044 YFIGVMVSODHRAL-IIDMSEBBSA-N 397.475 2.976 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)cc1OC 77100521 MIPDSEBJNCBRFQ-KBXCAEBGSA-N 396.447 2.520 0 40 GFAB CC(=O)NC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 79097003 LDECNSXRYBYICD-QZTJIDSGSA-N 395.544 2.977 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN([C@@H]2CCCC[C@@H]2O)CC1 89768432 GQJQXQCPHMIQSH-CABCVRRESA-N 393.336 2.603 0 40 GFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H](c1ccccc1F)N1CCOCC1 89813170 RLZWMJABLJZYDP-HNNXBMFYSA-N 399.344 2.545 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)Oc2ncccc21 89941265 AGDVMKJOYQULHS-JTQLQIEISA-N 399.266 2.829 0 40 GFAB Cc1nc(NCCNC(=O)Cc2ccc(F)cc2)cc(Nc2ccccn2)n1 90607920 LROSUDNFIPGIBL-UHFFFAOYSA-N 380.427 2.834 0 40 GFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cncc(Br)c2)C[C@@H](C)O1 95975665 SJLGABRHPKOWJI-IOASZLSFSA-N 397.317 2.950 0 40 GFAB Cc1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c(Cl)cc1Cl 96099721 KOSRKPZYXMXSNZ-CYBMUJFWSA-N 393.336 2.522 0 40 GFAB CN1CCCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2C)CC1 96147627 SIDRHLREUMZZSS-UHFFFAOYSA-N 375.476 2.927 0 40 GFAB Cc1nn(CC(=O)N2CCC(c3cc4nc(C)c(C)c(O)n4n3)CC2)c(C)c1C 100137326 XCHPGPQKEQAUPW-UHFFFAOYSA-N 396.495 2.580 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CCC(=O)Nc1nccs1 100753359 QENVYXKBUYTAHY-JSGCOSHPSA-N 396.476 2.501 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cc(C)ccc4C)[C@@H]3C2=O)cc1OC 101169125 LJEKQFDDYGNFRU-OALUTQOASA-N 394.431 2.814 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3C(c4ccc(Cl)cc4)=NO[C@H]3C2=O)cc1 102869737 CVYVJWSAFJXQBI-DOTOQJQBSA-N 398.802 2.809 0 40 GFAB CC(=O)Nc1ccc(CCNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 103418301 LOBGYEQXDPEHLY-NRFANRHFSA-N 393.487 2.999 0 40 GFAB Cc1cc(C)cc([C@H](C)NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 107394119 SNZZVNUXVLUKFK-INIZCTEOSA-N 393.495 2.573 0 40 GFAB NC[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218529686 NSDWPWFPWWQESM-IKGGRYGDSA-N 386.300 2.871 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC 222536578 XIGOCIPYGBFDJJ-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB O=C(O)c1[nH]c(=O)n(-c2ccc(Cl)cc2Cl)c(=O)c1CN1CCCCC1 222669059 BXDQTHVSGDXQMU-UHFFFAOYSA-N 398.246 2.517 0 40 GFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223193120 FBNQPJLXRCEYNR-HXUWFJFHSA-N 386.467 2.674 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223254504 HEZUABSYFCHVGY-VQTJNVASSA-N 392.532 2.801 0 40 GFAB C[C@@H](C(=O)NCCOc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 223703718 INRGOPXBLFYWSP-AWEZNQCLSA-N 396.896 2.690 0 40 GFAB CCc1cc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)ccc1OC 223752695 FXNPWNDCPXLWKC-UHFFFAOYSA-N 377.462 2.850 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 225260803 XXGLEBLQBMYZEP-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccco3)CC2)cc1 225483160 OEQKAHFLGCJVGD-UHFFFAOYSA-N 390.505 2.738 0 40 GFAB CCOCCCNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225820592 GGOCQVIFFCNNLZ-UHFFFAOYSA-N 382.258 2.975 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253472003 HTDRLPREUKABHI-LLVKDONJSA-N 380.451 2.581 0 40 GFAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc1C 257314881 UYYAPALJHMPSSM-QGZVFWFLSA-N 395.507 2.577 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408602672 IQNTZCMCMAHCGN-CQSZACIVSA-N 392.477 2.788 0 40 GFAB COc1cc2nc(NN)n(-c3cc(Cl)ccc3Cl)c(=O)c2cc1OC 408712846 WNPAAMPLGQZMQH-UHFFFAOYSA-N 381.219 2.995 0 40 GFAB C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(N)cs2)CO1 514269788 IWOXPVBSLOJAOE-FNFWKMNBSA-N 388.518 2.878 0 40 GFAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 514696204 HESYDTXOIQACGA-CZUORRHYSA-N 380.414 2.990 0 40 GFAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(OC3CCCC3)nc2)C1 524923647 CVZRNGFTISDPEM-WBVHZDCISA-N 395.525 2.558 0 40 GFAB CC(C)CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H](C)C1=O 548300783 QCVUCPHZTMHURM-AWEZNQCLSA-N 375.904 2.824 0 40 GFAB Nc1ncc2c(n1)CCN(C(=O)c1cccc(COc3cccc(F)c3)c1)C2 567008075 BYDPZAVTIFCUNM-UHFFFAOYSA-N 378.407 2.975 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCC(CCC(=O)O)CC2)c(N(C)C)c1 594696769 LMLJXILADZLUSC-UHFFFAOYSA-N 377.441 2.648 0 40 GFAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 652050833 NIBHEBRKZZCZQI-BZUAXINKSA-N 384.398 2.620 0 40 GFAB CNc1cc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)ncn1 660598315 KAYCYFUNYCCLAF-YCRPNKLZSA-N 390.447 2.691 0 40 GFAB CCOC(=O)c1[nH]c2ccc(I)cc2c(=O)c1Cl 685937352 QGWWDIUCHIIPAQ-UHFFFAOYSA-N 377.565 2.963 0 40 GFAB COC(=O)[C@H](CO)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 1188625294 UZVGAOZBSSSTDW-KRWDZBQOSA-N 385.526 2.869 0 40 GFAB O=C(C[C@@H]1OC[C@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]12)N1CCCCC1 1565552035 NUYFSYYLWUEYPH-KFWWJZLASA-N 398.429 2.739 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995374 REPMROKSFBLZQY-SNVBAGLBSA-N 390.228 2.902 0 40 GFAB CC(C)c1ocnc1CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 1888853483 LVXXXDCXVILBGM-UHFFFAOYSA-N 388.390 2.589 0 40 GFAB Cc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)nc(N2CCOCC2)n1 1889128448 RMSHQAJTKMFOHZ-UHFFFAOYSA-N 387.915 2.597 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C 2368803 JEXPEWCOHHVKGI-UHFFFAOYSA-N 385.489 2.939 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCC3)cc2)C1 902205 XZNIOEZQUAWVKZ-INIZCTEOSA-N 379.526 2.532 0 40 GFAB COc1cccc(-n2nnnc2SCC(=O)c2cc(OC)ccc2OC)c1 932234 JFJHQKXXGGKCFS-UHFFFAOYSA-N 386.433 2.663 0 40 GFAB CCOC(=O)c1sc(SCC(=O)Nc2ccc(N(C)C)cc2)nc1N 3013018 ZCODGJPZLHFFDY-UHFFFAOYSA-N 380.495 2.699 0 40 GFAB CCCCn1nc(C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2c1=O 6834040 NJTYSBOJLAOXMA-HNNXBMFYSA-N 393.443 2.766 0 40 GFAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 8236193 CRBMQAJZIZPCMO-MRXNPFEDSA-N 376.420 2.986 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccc(F)cc1 8291901 OEVXJDXQNMVJOX-UHFFFAOYSA-N 398.221 2.617 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSCc2nc3ccccc3c(=O)[nH]2)c1 20745734 PBWZSULCTNOEDD-UHFFFAOYSA-N 382.445 2.753 0 40 GFAB CCOc1cc(C(=O)OCC(=O)Nc2cccc3nsnc23)ccc1OC 32945251 VDUFYPGZNPGACG-UHFFFAOYSA-N 387.417 2.894 0 40 GFAB Cc1nc2ccccc2c(=O)n1CCOC(=O)c1ccc(Br)o1 22469540 MXZJTGLKOVDODQ-UHFFFAOYSA-N 377.194 2.917 0 40 GFAB CC(=O)N[C@@H](CC(=O)OCCCn1c(=O)[nH]c2ccccc21)c1cccs1 12175556 DCLLHVCWHOPRFJ-HNNXBMFYSA-N 387.461 2.592 0 40 GFAB O=C(CSc1nncn1C1CC1)Nc1cccc(Cl)c1N1CCOCC1 23009007 WNNAQAJZRXVBCQ-UHFFFAOYSA-N 393.900 2.834 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1F 940578 BIGNOXJGWNGFRA-KRWDZBQOSA-N 380.383 2.748 0 40 GFAB Cc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20454850 IVRANJZZNILKTO-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1ccccc1 20488336 AQKONWJZWOUPEZ-UHFFFAOYSA-N 376.478 2.953 0 40 GFAB O=C(NCc1ccncc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 12322926 UHXJJAXXPGVYRR-UHFFFAOYSA-N 399.447 2.629 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 21523257 APVBBAYBKAPPSN-UHFFFAOYSA-N 397.498 2.798 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1N1CCCCC1 27066313 OJPFDSJRGDFXBO-UHFFFAOYSA-N 384.480 2.870 0 40 GFAB Cc1cc(N2C[C@H](c3nc4ncccc4c(=O)[nH]3)CC2=O)ccc1Br 58161368 GRMGQUDVXQRXOY-LLVKDONJSA-N 399.248 2.910 0 40 GFAB COCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12605252 BEOCSQFWCKMETA-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB Cc1cc(N2CCN(C(=O)c3ccc([S@](C)=O)cc3)CC2)nc(C(C)C)n1 10258057 CIFNDKYEQNQVJY-HHHXNRCGSA-N 386.521 2.608 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccc(-c2nnco2)cc1 7773943 RRXQYNURPWWFOM-KRWDZBQOSA-N 395.415 2.804 0 40 GFAB Cc1cccc(CSc2nc(=O)n([C@H]3CCS(=O)(=O)C3)c3c2CCC3)c1 27794940 QFDUVPTWKAYBHH-HNNXBMFYSA-N 390.530 2.692 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)cc1OC 12935233 GMTZKJMFZCWLSJ-CQSZACIVSA-N 386.448 2.934 0 40 GFAB CCOc1ccc(OCC(=O)Nc2cc3c(cc2C(=O)O)OCCCO3)cc1 7986610 VVIYPLGNSVZQKV-UHFFFAOYSA-N 387.388 2.962 0 40 GFAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1ccc2c(c1)OCCO2 5018563 YXHSTUPJMACRFX-UHFFFAOYSA-N 395.458 2.967 0 40 GFAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13769545 QDTOPUFDAJCWCZ-PHIMTYICSA-N 379.844 2.656 0 40 GFAB O=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCCC2)CCCCC1 6227508 SSOHVHYLUNZOHW-UHFFFAOYSA-N 385.508 2.684 0 40 GFAB C[C@@H](OC(=O)c1cc(O)c2ccccc2c1O)C(=O)Nc1ccc(C(N)=O)cc1 5203488 KBLJJKCBSFLRHC-LLVKDONJSA-N 394.383 2.534 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)cc1 4435342 FOMWWQUFSSAKIR-HXUWFJFHSA-N 394.402 2.736 0 40 GFAB COc1cc(OC)c2c(C)c(CC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc2c1 8490500 HAXYKRLPUFVSNP-QGZVFWFLSA-N 397.427 2.511 0 40 GFAB biogenic Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C 409124028 GLUCVBPXWLKBLQ-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c2ccccc2S1 14230169 YVKJNVGMIOVVKK-RNODOKPDSA-N 399.472 2.964 0 40 GFAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 14407939 XHSVHKTUICWZEN-AWEZNQCLSA-N 382.851 2.960 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(SC)s3)nc2c1 5872379 NPADHEDQKPVJSA-UHFFFAOYSA-N 380.476 2.575 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 15235543 LAALHTRNPRIZIN-JERHATOGSA-N 388.464 2.520 0 40 GFAB CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(-n3cnnn3)c1)CC2 8718723 TVUQOYWCQQXVEM-UHFFFAOYSA-N 393.447 2.658 0 40 GFAB COc1cccc(N2CCN(C(=O)CNC(=O)CC3CCCCC3)C[C@H]2C)c1 89939361 IJCWGXQSIFFCSZ-QGZVFWFLSA-N 387.524 2.819 0 40 GFAB Cc1cc(=O)c(C(=O)NCc2ccc(Cn3cccn3)cc2)nn1-c1ccccc1 8936572 XYTULZVJEQYDAP-UHFFFAOYSA-N 399.454 2.716 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)N(C)C)cc1 19795894 UIPZIZLEJQOBHK-LIRRHRJNSA-N 387.505 2.632 0 40 GFAB COc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2)N2CCOCC2)cc1 19897808 BEQOYXVAMMPEEU-OAQYLSRUSA-N 384.476 2.572 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 22536333 XJQMUNLUYDVDFA-CYBMUJFWSA-N 382.432 2.853 0 40 GFAB Cc1sc2nc(CS[C@H](C)C(=O)NC[C@H](C)C[C@@H](C)O)[nH]c(=O)c2c1C 72293645 NHNIXAFEQQHUOU-GIPNMCIBSA-N 397.566 2.746 0 40 GFAB COc1ccc(Br)cc1CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C 22529476 ZNWKLQFUYDUBNM-NSHDSACASA-N 385.302 2.967 0 40 GFAB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccc(Br)cc1 20151952 IBGSHXKLQFWDGR-UHFFFAOYSA-N 395.234 2.980 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 409021308 AVCKAQACSAWCSA-LICLKQGHSA-N 395.415 2.544 0 40 GFAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72346128 LOJLYNBELQDUSS-MRXNPFEDSA-N 383.471 2.667 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 31810109 LIZHRTBEXYSEIC-KRWDZBQOSA-N 376.844 2.673 0 40 GFAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccccc2C)cc1 35310891 IVUCDCUOVNZDIB-UHFFFAOYSA-N 396.472 2.818 0 40 GFAB CS(=O)(=O)NC1(CNC(=O)N2CC[C@H](C3CCCCC3)C2)CCCCC1 1563597595 PSVQSXKEELLZKU-KRWDZBQOSA-N 385.574 2.850 0 40 GFAB O=C(Cc1ccc(NC(=O)N2CC[C@@H](C(=O)O)C2)cc1)Nc1ccccc1F 417759178 PRDMSQPENQOQAC-CQSZACIVSA-N 385.395 2.945 0 40 GFAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 220124450 SYOZRLZDYRUXDG-ZDUSSCGKSA-N 376.434 2.517 0 40 GFAB CC[C@H](C(=O)NCCOc1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 224303223 AGFRZFQTDPBGFB-LJQANCHMSA-N 390.505 2.735 0 40 GFAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(OC)c(C)c1 224577549 KXLHNNBTXMVLBS-IAGOWNOFSA-N 382.526 2.633 0 40 GFAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 222915237 YRNUIARIUUEASB-KRWDZBQOSA-N 396.487 2.596 0 40 GFAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 220154775 SKGBDGTVWZOMDZ-LSDHHAIUSA-N 376.478 2.727 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCc2c(OC)cccc2OC)ccc1Cl 223897602 SVYASMSPVDGEIT-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 226062246 CQOVWFCNQVTHJC-CQSZACIVSA-N 376.453 2.565 0 40 GFAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-n2ccnc2)nn1 77197095 PRXLBOUKWNFFMB-UHFFFAOYSA-N 376.445 2.758 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1F 95470724 OUAJUXUPBROAGX-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB COc1cccc(N[C@@H]2COC3(CCN(C(=O)Cc4ccccn4)CC3)C2)c1 96221445 RINBDKQWHHNKET-IBGZPJMESA-N 381.476 2.895 0 40 GFAB Cn1ncc2c1C[C@H](C(=O)Nc1ccc(F)cc1Cn1ccsc1=O)CC2 585140101 HISJWKWMAHHLRT-GFCCVEGCSA-N 386.452 2.574 0 40 GFAB Nc1cc(-c2cncnc2[C@H]2CCN(C(=O)CCCc3ccccn3)C2)ccn1 257320658 VXTYQGRDMVQXEM-KRWDZBQOSA-N 388.475 2.855 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1cc(=O)c2ccccc2o1 253400825 LZKDOWFPVWSXFN-HNNXBMFYSA-N 384.457 2.906 0 40 GFAB Cc1ccc(NC(=O)C[C@H]2Cc3c(-c4ccccc4)nc(N)n3NC2=O)cc1 618256468 IZDXFSJFGMIXSS-OAHLLOKOSA-N 375.432 2.712 0 40 GFAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1c(C)cnn1CC1CC1 1116313407 VYPWCOBUVBVVIN-LJQANCHMSA-N 397.454 2.908 0 40 GFAB COC[C@@]1(C(=O)O)CCN(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)C1 635513748 CSISHGIVDZZUNE-WIYYLYMNSA-N 383.448 2.612 0 40 GFAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CC[C@@H](N2CCNCC2)C1 667313763 WDHBTUUWLXEUGU-OAQYLSRUSA-N 392.503 2.800 0 40 GFAB CC(C)OCc1ccc(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)o1 390829938 HPLWNQLYBDLASF-UHFFFAOYSA-N 379.438 2.588 0 40 GFAB CCOC(=O)C1=C(COC)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl 390823243 WUKHTBIGBNRVOG-MRXNPFEDSA-N 379.840 2.937 0 40 GFAB O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccc(OC(F)(F)F)cc1 159286283 DMDYARGQWLOXTO-LBPRGKRZSA-N 387.383 2.537 0 40 GFAB O=C(CN1CC(c2nc(C3CC3)no2)C1)Nc1ccc(OC(F)(F)F)cc1 70636988 NPNBMBVDNQPFRJ-UHFFFAOYSA-N 382.342 2.884 0 40 GFAB Cc1ncsc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160520 ZQIMCBFPESDDEM-IBGZPJMESA-N 375.469 2.989 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)C1 5428243 CGYHPSGLEOOVMF-LBPRGKRZSA-N 390.436 2.609 0 40 GFAB CCc1nn(CC(=O)NCCc2ccc(C)cc2)c(=O)c2cc3ccsc3n12 12114318 LDJMRBOUULDHAJ-UHFFFAOYSA-N 394.500 2.940 0 40 GFAB CS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCN(Cc2ccco2)CC1 12119398 RJWKEHUAZBXFRJ-UHFFFAOYSA-N 398.488 2.915 0 40 GFAB CCN(C(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1)C1CCN(C)CC1 12122394 SJTCBZRVBOIBSN-XKPYVIEYSA-N 382.504 2.989 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CCCc1ccccc1 13116335 WLDYPEUSARSIDH-UHFFFAOYSA-N 389.459 2.668 0 40 GFAB Cc1cc(-c2cn(CCO)nc2[C@@H]2CCCCN2C(=O)c2ccccn2)on1 19121426 IOINPPQPKUZDAT-KRWDZBQOSA-N 381.436 2.601 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[nH]c(-c2ccncc2)n1 19445739 JDKBOIGAZGTMBA-LJQANCHMSA-N 392.415 2.688 0 40 GFAB c1ccc2[nH]c(C[C@@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 19657871 RDBMPZKJVUTKEL-KRWDZBQOSA-N 392.507 2.644 0 40 GFAB Cc1nc2c(c(N3CCC(NC(=O)COCc4ccccc4)CC3)n1)CCCC2 238849174 JBBHNFMYHHLUKV-UHFFFAOYSA-N 394.519 2.966 0 40 GFAB CCN1CCN(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)CC1 19528166 MJSCVJLSXFSNNL-IBGZPJMESA-N 395.551 2.551 0 40 GFAB FC(F)(F)c1ccc(N2C[C@H]3CN(c4ncnc5c4CCC5)C[C@@H]3C2)nc1 1888853354 JJLWLOXQVLVGGY-STQMWFEESA-N 375.398 2.952 0 40 GFAB O=C(NCC1(N2CCSCC2)CCOCC1)C12CC3CC(CC(C3)C1)C2 1888906360 UDIYTNQPNPWSFV-UHFFFAOYSA-N 378.582 2.917 0 40 GFAB O=C(NCC1(N2CCOCC2)CCSCC1)c1ccccc1Br 1776008516 JIXBFJMXJYRYMH-UHFFFAOYSA-N 399.354 2.777 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037978023 JRHZLNABFFGSFS-GOSISDBHSA-N 382.382 2.595 0 40 GFAB CC1=NC(C(F)(F)F)(C(F)(F)F)c2c(n(-c3ccccc3)c(=O)[nH]c2=O)N1 2487762 QQKLIIHWEASHJX-UHFFFAOYSA-N 392.259 2.690 0 40 GFAB CCOc1c(C)cnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 9571680 YQWDXTQUSAOGPH-UHFFFAOYSA-N 377.803 2.643 0 40 GFAB Cc1cccc(CC(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 10252144 MDTGXXMIZMXHIO-UHFFFAOYSA-N 387.443 2.820 0 40 GFAB COc1ccc(CN(C)Cc2cc(=O)n3cc(C)ccc3n2)c(OC)c1OC 16561665 WIVQVFUBPILHNL-UHFFFAOYSA-N 383.448 2.661 0 40 GFAB O=C(NCCCc1ccccc1)NCCN1CCN(c2ccccc2F)CC1 38591024 FLUZMKQGAOZKCI-UHFFFAOYSA-N 384.499 2.880 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1 575616199 HVBKWLQENUDRPM-IBGZPJMESA-N 386.473 2.647 0 40 GFAB COC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)cc1 618255553 SMJGTMVXSYBZGK-MRXNPFEDSA-N 377.400 2.710 0 40 GFAB COc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 23041091 DWXCAXJYJROTGO-UHFFFAOYSA-N 388.489 2.540 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H](C)O1 40039122 PVRMXGKOPGFWNA-IRXDYDNUSA-N 385.512 2.559 0 40 GFAB C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)n1cncn1 40108148 IZCMHOMXHMKEHM-MAUKXSAKSA-N 381.505 2.816 0 40 GFAB O=C(c1cncc(Br)c1)N1CCN(CCOc2ccccc2)CC1 15480260 FTYDKKOYNWIWFD-UHFFFAOYSA-N 390.281 2.681 0 40 GFAB CC(=O)N1C[C@H](C(=O)NCc2coc(-c3cccs3)n2)Oc2ccccc21 10878946 FONBIWHTPTUKCC-MRXNPFEDSA-N 383.429 2.833 0 40 GFAB O=C(Cc1ccc(NC(=O)Nc2cnn(CCO)c2)cc1)Nc1ccccc1F 69326244 HAUQSUDXTWDHDH-UHFFFAOYSA-N 397.410 2.840 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 1327524 MXCBQZQTPJRIPC-UHFFFAOYSA-N 399.472 2.918 0 40 GFAB Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N(C)C 1431624 UTHVSBDCNLCZHF-UHFFFAOYSA-N 381.461 2.812 0 40 GFAB C[C@H]1CCCC2=C1C(=O)N(CSCN1C(=O)C3=C(C1=O)[C@@H](C)CCC3)C2=O 1711776 HHGRDQOYRMWVNL-RYUDHWBXSA-N 388.489 2.605 0 40 GFAB CCOc1ccc2nc(COC(=O)c3ccc(OC)cc3)c(C(C)=O)[n+]([O-])c2c1 2449372 UQKYGZGBOZPPKF-UHFFFAOYSA-N 396.399 2.835 0 40 GFAB CC(=O)N[C@@H](CSc1cc(C)nc2ccc(Br)cc12)C(=O)O 2419940 LAJAYRAKHFWSGO-ZDUSSCGKSA-N 383.267 2.987 0 40 GFAB O=C(NCCNC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 31768312 JTMAVXWZWSWYIR-UHFFFAOYSA-N 381.215 2.882 0 40 GFAB COC(=O)[C@H]1C(=O)C[C@@H](c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCO2 4532600 LGIWOAOMGYWGOB-MRFFXTKBSA-N 382.368 2.773 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146912 FJDLISLMTRJPPZ-CQSZACIVSA-N 378.425 2.535 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)c(C)c1 7604553 WWUTVRYKWIKGSU-UHFFFAOYSA-N 392.477 2.709 0 40 GFAB COc1cc(NC(=O)[C@H](C)NC(=O)c2ccccc2)ccc1N1CCCC1=O 11446119 MKQQURWFNKCBTM-AWEZNQCLSA-N 381.432 2.579 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 7930787 ONXNXRGLTICDFT-UHFFFAOYSA-N 389.521 2.800 0 40 GFAB COc1cccc(-n2cnc3cc(C(=O)NCCCOC(C)C)ccc3c2=O)c1 32106595 YUEOLSFCBCEHNU-UHFFFAOYSA-N 395.459 2.939 0 40 GFAB O=c1c(CN2CCSCC2)coc(O)c1CN1CC[C@H](c2ccccc2)C1 101408761 DGQQBHFIDFLRLZ-KRWDZBQOSA-N 386.517 2.884 0 40 GFAB COc1ccc2c(c1)CN(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)CC2 60042332 YBBDKBRJYLACHO-HNNXBMFYSA-N 384.476 2.948 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCCn1c(=O)oc2ccccc21 8313864 KUVSGATXWRCKCA-UHFFFAOYSA-N 385.395 2.611 0 40 GFAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)cc1 8373800 WHUXLOHNPIBBOP-LJQANCHMSA-N 378.428 2.996 0 40 GFAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1 32795925 WEQFGMFYLFEQER-UHFFFAOYSA-N 378.407 2.748 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)c2cc3cccc(OC)c3oc2=O)c1 2689340 OBGLDVMHKONDGS-UHFFFAOYSA-N 376.386 2.652 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nccc(=O)[nH]2)sc2c1CCCC2 9143417 DZUMFNUQDRDXPD-UHFFFAOYSA-N 393.490 2.618 0 40 GFAB CC(C)N(C(=O)COC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)C(C)C 32913725 RWXYHYGQJAYEPZ-CQSZACIVSA-N 382.892 2.535 0 40 GFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1)c1ccco1 23397742 LNFWYGGKKWBHOU-UHFFFAOYSA-N 399.384 2.767 0 40 GFAB COc1ccc(OC)c(CNC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1 102910707 YLEPZPAKIRHPHC-KILAXVPQSA-N 386.492 2.795 0 40 GFAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 100743935 JHJHKKQIJOTWLB-GASCZTMLSA-N 387.484 2.542 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nc1C 23074545 WMFJTEFKDXVKEO-NSHDSACASA-N 391.424 2.759 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)c1 12197228 RUXDPWQCPUFMLB-IBGZPJMESA-N 398.459 2.999 0 40 GFAB CCOC(=O)[C@H]1CCCN(c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)n2)C1 12397023 CXBZDVHMIBWCJB-LBPRGKRZSA-N 397.401 2.984 0 40 GFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCN(Cc2ccncc2)CC1 23732554 ZCXCKTKELFVLSK-OWOJBTEDSA-N 399.878 2.864 0 40 GFAB Cc1noc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)n1 54665376 XTDXMFQTNXCULI-CQSZACIVSA-N 388.855 2.791 0 40 GFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@@H](O)COCc1ccccc1Cl 24839317 RKGMIZIOEFLZGU-OAHLLOKOSA-N 378.787 2.874 0 40 GFAB COc1cc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc2c1OCCO2 89426670 QUGNUILSMXZYTN-CQSZACIVSA-N 397.349 2.949 0 40 GFAB C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)N3C[C@@H](C)OC(C)(C)C3)C2)CC(C)(C)O1 108069723 KUTBNEJIWOKSET-TVFCKZIOSA-N 394.556 2.845 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 58265587 PHGWNKKLCCVBKF-OKILXGFUSA-N 395.525 2.888 0 40 GFAB Cc1ccccc1COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547640 PJZBNWRAVIJSDS-MRXNPFEDSA-N 398.484 2.899 0 40 GFAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)NC2CC2)cc1 10373122 IUBZATKJYCRFRD-UHFFFAOYSA-N 384.501 2.979 0 40 GFAB Cc1cc2nc3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n3c2cc1C 409391905 KFJIWJSKEJTLAE-BOPFTXTBSA-N 381.457 2.503 0 40 GFAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccco2)c1 408709455 AIMSTGGQKMEHTC-UHFFFAOYSA-N 391.427 2.773 0 40 GFAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1=O 12754854 QBMFVLDKCRMHHG-QGZVFWFLSA-N 394.403 2.747 0 40 GFAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(C(C)C)cc1 12765846 FIMGBJJNHKKRIN-UHFFFAOYSA-N 384.480 2.610 0 40 GFAB Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1C 12815401 KICKYFLKTZSUGY-UHFFFAOYSA-N 375.446 2.877 0 40 GFAB CC(C)[C@@H](C(=O)NCCc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 12893063 ZDNBSOUWFJZXPL-FQEVSTJZSA-N 389.459 2.829 0 40 GFAB biogenic CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3453856 LZQFJVCRGHDOQL-IBGZPJMESA-N 398.507 2.771 0 40 GFAB CCCN(Cn1nc(-c2ccc(C)cc2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 12924412 DGASQFCFBQGYCT-HNNXBMFYSA-N 380.539 2.773 0 40 GFAB Cc1sc2ncnc(N[C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2c1C 8327984 UIXDJCUNKAEFAS-SECBINFHSA-N 382.449 2.917 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccccc21 38833913 QYLAGNOSKORNSG-MRXNPFEDSA-N 380.853 2.896 0 40 GFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCc3ccccc3)[C@H]4C2=O)cc1 4044590 FGCRNGIMEMHLIU-ISHFTEKXSA-N 391.423 2.725 0 40 GFAB biogenic COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 13603200 DILBYBNSGKXCFZ-XPFMCRKWSA-N 380.444 2.761 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCN1C(=O)c2ccccc2C1=O 5044568 OGHXFRBXGMXXOM-UHFFFAOYSA-N 389.411 2.959 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 8017055 DXOOMYVOKWZAOH-UHFFFAOYSA-N 387.461 2.556 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3cc(C)ccc3C)C2=O)cc1OC 4484021 LJEKQFDDYGNFRU-MOPGFXCFSA-N 394.431 2.814 0 40 GFAB C[C@H](CNC(=O)[C@@H]1COc2ccccc2C1)N1CCN(c2ccccc2)CC1 65566769 MTVODHQXOUNYBI-QUCCMNQESA-N 379.504 2.565 0 40 GFAB CN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1 14190487 QDWOJPNZXRRIDY-UHFFFAOYSA-N 394.396 2.906 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(Cc3nnc(-c4cccs4)o3)C2=O)cc1 14128870 VZSMUWFJHIACEA-GOSISDBHSA-N 384.417 2.774 0 40 GFAB Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c(C)c1 4543794 OVMMDQAQCKUAHV-UHFFFAOYSA-N 396.534 2.712 0 40 GFAB CCn1nc(NS(=O)(=O)c2cccc3nonc23)c2cc3ccccc3nc21 16956843 VCNAYBRKVKHTLN-UHFFFAOYSA-N 394.416 2.941 0 40 GFAB CCc1ccccc1Nc1nnc(SCc2ccc(OC)cc2)n(N)c1=O 28535220 UGPTWUACFXGNFV-UHFFFAOYSA-N 383.477 2.959 0 40 GFAB COc1ccc(C2=NO[C@H](Cc3c(C=O)c(OC)c4c(c3OC)OCO4)C2)cc1 14988166 LJXGUUUALGDXJW-CQSZACIVSA-N 399.399 2.989 0 40 GFAB O=C1CCCN1C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907471 OWLLYIUIXJDWLR-UHFFFAOYSA-N 385.470 2.688 0 40 GFAB CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 6905866 FJTCCGFPUVJKHN-OAHLLOKOSA-N 381.384 2.619 0 40 GFAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCC1=C(C(C)C)OCCC1 84005080 YPCXGNIFETYBTE-UHFFFAOYSA-N 382.464 2.520 0 40 GFAB Cc1nc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)sc1C 62022896 RKHZMNIITWRRSE-CQSZACIVSA-N 383.481 2.591 0 40 GFAB CCOC(=O)c1cc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1C 95450301 SCZDKVOUPZSIHR-UHFFFAOYSA-N 397.435 2.644 0 40 GFAB Cn1nnc2cc(C(=O)Nc3ccc(OCC(=O)O)c4ccccc34)ccc21 95424931 FDPHHDPMHJSNCE-UHFFFAOYSA-N 376.372 2.837 0 40 GFAB O=C(NN1Cc2ccccc2C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 95444091 SJDLYMUJZZQLCS-KRWDZBQOSA-N 387.892 2.902 0 40 GFAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)c1 408529721 JCNUJTGCFIQUOL-UHFFFAOYSA-N 392.477 2.708 0 40 GFAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408553289 PYSVMXRSHUPVGA-UHFFFAOYSA-N 379.338 2.707 0 40 GFAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(OC)c2OC)N1 36025435 NTNSELIRIYLDRI-SJLPKXTDSA-N 396.443 2.970 0 40 GFAB biogenic COc1ccc2c(c1)c(C(=O)N1CCN(CCc3ccncc3)CC1)cn2C 79486732 UMHIWLUSPOVAKF-UHFFFAOYSA-N 378.476 2.582 0 40 GFAB Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)cnn1-c1ccccc1 526052475 ILYNJBAHKMOSIH-FUHIMQAGSA-N 378.476 2.654 0 40 GFAB Cc1oc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N(C)c1ccccc1 38489391 ZAHLZWGECUMCIV-UHFFFAOYSA-N 385.445 2.738 0 40 GFAB COC(=O)c1ccccc1CC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 538265722 XDDLQKDZBSPBEZ-UHFFFAOYSA-N 395.459 2.744 0 40 GFAB COc1ccc(CCNC(=O)c2cccc(CN3CCOCC3)c2)cc1OC 30866697 AKCZMWHXZOJWFZ-UHFFFAOYSA-N 384.476 2.509 0 40 GFAB COc1cccc(-n2cnc3cc(C(=O)NCc4ccncc4)ccc3c2=O)c1 31817998 WUTOPJINTVHBDO-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 72360795 IHNFPHMRQORNSH-HNNXBMFYSA-N 383.477 2.622 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 72360796 IHNFPHMRQORNSH-OAHLLOKOSA-N 383.477 2.622 0 40 GFAB CNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)n1 225880631 AAZOGNKBGDYOMD-UHFFFAOYSA-N 396.442 2.738 0 40 GFAB CSc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 44905116 NTVNGQFPNPPJBS-UHFFFAOYSA-N 397.497 2.799 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N(C)C 223249336 OSMJCAYNYYBBHQ-UHFFFAOYSA-N 388.489 2.604 0 40 GFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225485010 ZOASWQLRSDSMAU-DDUZABMNSA-N 380.485 2.531 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225303564 NREIANBWBDDNMY-CQSZACIVSA-N 376.453 2.565 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220299651 IEXVBYPYNBISIA-ZDUSSCGKSA-N 380.441 2.936 0 40 GFAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(SCC(=O)OC)s1 224858673 VGMBTJPVQOBOKH-LLVKDONJSA-N 381.479 2.908 0 40 GFAB O=C(O)Cc1cccc(NC(=O)C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)c1 580062524 SFZRJUWWXZZVAJ-ROUUACIJSA-N 392.455 2.562 0 40 GFAB Cc1ccc(C(=O)N2CCn3nnc(COCc4cccnc4)c3C2)cc1C 96256039 BZJMAIPMPCNVGK-UHFFFAOYSA-N 377.448 2.663 0 40 GFAB C/C(=C\C(=O)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2)c1ccncc1 584907907 LQKFBSUBXURZGD-VNKGSWCUSA-N 392.864 2.967 0 40 GFAB O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257341034 ZIOXMVSHQLQLIV-GOSISDBHSA-N 396.422 2.715 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 257257322 KPAVMQKTTICZIH-LJQANCHMSA-N 399.495 2.983 0 40 GFAB O=C(O)c1cnc(CN2CCOC[C@H]2c2cccc(Br)c2)cn1 629364646 NGLHXIXZTIQIBL-HNNXBMFYSA-N 378.226 2.511 0 40 GFAB C[C@@H]1C[C@@H](C(=O)N2C[C@H](c3ccc(Br)cc3)[C@@H](C(=O)O)C2)[C@@H](C)O1 630195864 VSKDQUYJRLUIRA-YWCGQCRUSA-N 396.281 2.889 0 40 GFAB O=C(Cn1nnnc1-c1ccccc1)NOCc1ccc(C(F)(F)F)cc1 1137731953 SFACQMVPQLKTJY-UHFFFAOYSA-N 377.326 2.607 0 40 GFAB O=C([C@@H]1CCc2ccccc2O1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414866 MNFFHZWQIJAVKS-FUHWJXTLSA-N 391.514 2.830 0 40 GFAB COc1ccnc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)n3)CC2)n1 101824136 DZLREBRCZBCTNU-UHFFFAOYSA-N 381.358 2.754 0 40 GFAB O=C(CCc1cccnc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615124535 XVTXPSJKCODVKY-UHFFFAOYSA-N 397.450 2.578 0 40 GFAB O=C(NCCc1noc2ccccc12)N[C@@H]1CC[C@H](C(=O)N2CCCCC2)C1 1615551914 RCKYZYJKZMIVQJ-JKSUJKDBSA-N 384.480 2.851 0 40 GFAB COc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)cc1 1775968827 MRGKTAYQCXTTBX-AWEZNQCLSA-N 386.429 2.805 0 40 GFAB COc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)ccn1 12239166 RTMNWIRFOKLIKV-INIZCTEOSA-N 390.447 2.781 0 40 GFAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1CCN1CCOCC1 15105850 OCKWGKNHZZITOK-QFIPXVFZSA-N 388.471 2.954 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)N2CCCN32)cc1 19170386 FQAIRYRCTPLSPA-QYZOEREBSA-N 397.862 2.884 0 40 GFAB Cc1nccn1Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 19288248 IUTNCWIIMDKWKK-UHFFFAOYSA-N 376.416 2.847 0 40 GFAB CC(C)c1nc(N2CCC(NC(=O)[C@H]3CCCO3)CC2)ncc1-c1ccncc1 19451595 NXLSLOMUADZGPD-LJQANCHMSA-N 395.507 2.926 0 40 GFAB COc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@](C)(CO)C2)N2CCCCC2)cc1 663435947 SYZNRYLEPXWXPN-XJABCFGWSA-N 389.540 2.882 0 40 GFAB O=C(N[C@H]1CCC[C@H]1CCO)N1CCOc2cc(Br)ccc2C1 664718936 LOOBBWVFBKCEJC-WFASDCNBSA-N 383.286 2.904 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)OCc1cc(Cl)cc2c1OCOC2 5534605 ISZMDEVTOAFZGO-UHFFFAOYSA-N 382.821 2.967 0 40 GFAB COC[C@H](C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O 6788642 KSGHJASJOZLDCD-NSHDSACASA-N 388.449 2.631 0 40 GFAB O=C(NCC1(N2CCSCC2)CCOCC1)C1(c2ccc(F)cc2)CC1 1888844457 KNQMHSFMSZUWBW-UHFFFAOYSA-N 378.513 2.572 0 40 GFAB O=S(=O)(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc(F)c(Cl)c1 245053404 OSRCMYYJERQKKQ-INIZCTEOSA-N 380.832 2.790 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)c1 4326025 SYSBYQTZVDZILP-UHFFFAOYSA-N 398.390 2.886 0 40 GFAB O=C(CN1C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccccc21)N1CCCC1 6806609 QYAWGXXTGREKAJ-IBGZPJMESA-N 398.484 2.561 0 40 GFAB Cc1cc(C)cc(-n2ccn(CC(=O)Nc3cc(C)ccc3C)c(=O)c2=O)c1 8588313 FRDPEMQXUBPSCP-UHFFFAOYSA-N 377.444 2.872 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2cccc(F)c2)CN1c1ccc(Cl)cc1 9036759 NMJNZLKZNUBORY-LBPRGKRZSA-N 382.844 2.811 0 40 GFAB Cc1nc2ccccc2n1C1CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1 1775974538 UUMSKZCUOSNKBG-UHFFFAOYSA-N 397.500 2.764 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(Cc2ccco2)CC1 23127500 OOHRGQNKYMOSAN-UHFFFAOYSA-N 389.883 2.578 0 40 GFAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cc(-c3cccs3)on1)CS2 36662383 OSSFGFDNUPMVDG-GFCCVEGCSA-N 388.474 2.622 0 40 GFAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)cc1 49008153 DLGDFKOSJRVPSG-UHFFFAOYSA-N 375.388 2.630 0 40 GFAB CC(C)CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 585146955 ZKNSHTYCLROLSW-ZDUSSCGKSA-N 379.931 2.564 0 40 GFAB CC(C)CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 585146938 URIOCLMKTRFUDP-CYBMUJFWSA-N 397.921 2.703 0 40 GFAB O=C(CCOc1ccc(Cl)cc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 19335891 JHSGHGBOVFSZME-GOSISDBHSA-N 386.883 2.908 0 40 GFAB COc1ccc(C[C@](C)(O)CNC(=O)C2(c3ccccc3)CCOCC2)cc1 77184746 JDOCHSDBCSLNQN-QFIPXVFZSA-N 383.488 2.853 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NCC1(c2ccccc2)CC1 40068893 JBFBJZBTQFHKKX-UHFFFAOYSA-N 393.487 2.690 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC(OCc2ccccc2)CC1 40120847 KITQKMUGOSRKJF-UHFFFAOYSA-N 379.522 2.942 0 40 GFAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCCO4)c(C)n2n1 7666787 JVDDONFOXZUJDS-UHFFFAOYSA-N 399.476 2.806 0 40 GFAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)cc2)cc1 1361352 SMEPLUAQXGFTBS-UHFFFAOYSA-N 382.449 2.660 0 40 GFAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C)C[C@@](C)(CC)OC3 2331814 IAAQNBMFXWTLCE-QGZVFWFLSA-N 382.507 2.892 0 40 GFAB CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 2655292 WAIYNJYTDCIRIB-UHFFFAOYSA-N 384.860 2.806 0 40 GFAB O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 6610773 XEBLEMZEYLQVBU-UHFFFAOYSA-N 395.411 2.620 0 40 GFAB CCc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccccc3F)CC2)C1=O 101274308 KXJIMMYIJHZVEK-FQEVSTJZSA-N 381.451 2.842 0 40 GFAB Cc1ccc(Oc2ccc(OS(=O)(=O)c3cc(C(N)=O)n(C)c3)cc2)cc1 32770758 KBFZWDQHZAOGJR-UHFFFAOYSA-N 386.429 2.992 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1 7726691 KKLYOOPNRFFKDM-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH]c(C)n3)cc2)c(OC)c1 32915390 OQBNEYPGTYIONQ-UHFFFAOYSA-N 379.416 2.944 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(C)CC1 22457570 KFHQFKCHEVQRDA-RDTXWAMCSA-N 397.541 2.543 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 2628013 SBCSYCLJYNUVJR-KBPBESRZSA-N 385.420 2.839 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)no1 2619715 BFDMGJNEKYCILI-FQEVSTJZSA-N 384.436 2.686 0 40 GFAB Cn1cccc1[C@@H]1CCCN1CC(=O)NC1CCN(Cc2ccccc2)CC1 7856770 JAWDMNJAWXWGOC-QFIPXVFZSA-N 380.536 2.943 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NCc2cc(=O)n3c(C)csc3n2)cc1 22800426 BQJYFCHSCSAKTE-LJQANCHMSA-N 398.532 2.536 0 40 GFAB CCCN1C(=O)N[C@H](CCC(=O)N[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)C1=O 57823463 LEZIJDXGOFLXMB-JEIKXUOUSA-N 383.492 2.796 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559506 WUWMHJZYOGRQAQ-UHFFFAOYSA-N 393.365 2.834 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)Cn2c(C)c(C)sc2=O)cc1OC 55183687 NRDZHACHXUFAQB-HNNXBMFYSA-N 376.478 2.908 0 40 GFAB COc1ccc(Br)cc1-c1nc(CN2CCNC(=O)C2)cs1 57289970 OKOVNQDNMGKQEU-UHFFFAOYSA-N 382.283 2.513 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 26519870 VNNJMDIEDBUPCQ-LJQANCHMSA-N 395.459 2.561 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCc1ccc(Cl)cc1 27065997 PLHPEBRYZHMHAS-ZOBUZTSGSA-N 381.929 2.725 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 10290614 HZJSEDIHPLOZST-CYBMUJFWSA-N 378.416 2.788 0 40 GFAB O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(Br)cc1 12600746 VKLBPUSSLAERMD-UHFFFAOYSA-N 394.250 2.883 0 40 GFAB CN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 3374821 AJDUDPWRLIMVAH-UHFFFAOYSA-N 395.242 2.929 0 40 GFAB COc1ccc(C(=O)NCC(=O)N2CCC(Nc3ccccc3)CC2)cc1OC 48292096 QJZKOBNJSXHJOQ-UHFFFAOYSA-N 397.475 2.537 0 40 GFAB O=C(Nc1cc[nH]n1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 48310253 PKHPJKLYMMLJAX-UHFFFAOYSA-N 382.445 2.804 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 12877078 BRJSLLVOXCGYST-UHFFFAOYSA-N 385.508 2.942 0 40 GFAB Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cs1 13099074 VIFKACITZQJVFO-UHFFFAOYSA-N 379.507 2.807 0 40 GFAB CCOC(=O)[C@H]1CCCCN1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 13006521 DNAPKGYYFHSLRF-OAHLLOKOSA-N 396.871 2.857 0 40 GFAB Cn1c(=O)c2ccccc2n2c(SCc3nc(-c4ccccc4)no3)nnc12 8353363 IPWJWKWNEXGNBZ-UHFFFAOYSA-N 390.428 2.924 0 40 GFAB CCN(CC)CCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O 5044179 RMTFIQNOABJVMV-UHFFFAOYSA-N 397.269 2.636 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 39995613 LUBBQEUCINJHQT-UZLBHIALSA-N 384.505 2.886 0 40 GFAB CCc1ccc(CN(C)Cn2nc([C@@H]3CCS(=O)(=O)C3)n(C)c2=S)cc1 39996929 ORKHQQCXBVISPP-MRXNPFEDSA-N 394.566 2.505 0 40 GFAB CCC[C@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 14015301 KQCAJJQRUSUBFV-PBHICJAKSA-N 385.489 2.771 0 40 GFAB C[C@H](Oc1cccc(F)c1)C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 24862608 DSCZHFBKSNPHTA-YJBOKZPZSA-N 391.464 2.809 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2cccc(OC)c2)c1 6879536 SDIKMXYUHJYMOX-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1Cl 8729258 QOLMHYQJUWLQLB-INIZCTEOSA-N 395.864 2.778 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccccc1Cl 5937473 WIBHMSOZJWAIEA-LBPRGKRZSA-N 389.839 2.966 0 40 GFAB Cn1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 18948945 ZOROJPHPYNOVBV-UHFFFAOYSA-N 390.509 2.556 0 40 GFAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC[C@H]1CCCO1 8940895 QRZDZAIMXBEZIB-UKRRQHHQSA-N 399.516 2.903 0 40 GFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(CNC(N)=O)cc3)o2)cc1 19352361 RLHDVPLTACVMGJ-GFCCVEGCSA-N 396.403 2.832 0 40 GFAB COc1ccc(Br)cc1Cn1nnc(C(=O)O)c1-c1cccnc1 71327497 UGKRQTSWKZIMIW-UHFFFAOYSA-N 389.209 2.858 0 40 GFAB in-vitro Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)no1 96001143 UTRLMROWKNRZEK-KRWDZBQOSA-N 397.410 2.821 0 40 GFAB CCOC(=O)c1c(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)sc2c1CCC2 19791871 MGPMHJCJCPPNSO-CHWSQXEVSA-N 380.510 2.851 0 40 GFAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(OCc2ccccc2)cc1 9366679 WTALMPCVUSAODO-GFCCVEGCSA-N 396.476 2.734 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 409195698 KEUBUUHGLDYUGB-CQSZACIVSA-N 392.477 2.790 0 40 GFAB COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C=C3C[C@@H]4CC[C@H](C3)N4C)C2)c1 95449904 MWDDBPCXWULRCR-CEXWTWQISA-N 399.535 2.924 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1F 78902675 VNFODVDDXDFPLC-UHFFFAOYSA-N 375.381 2.570 0 40 GFAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1c(OC)cccc1OC 408625578 YRZRRKKAPUWOSP-UHFFFAOYSA-N 390.417 2.537 0 40 GFAB COC(=O)CSC1=NC(C)=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N1 408991237 PXABOBJWDYZMAE-CYBMUJFWSA-N 388.276 2.659 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218566994 DJQDJPLCMLCLDM-AOIWGVFYSA-N 394.876 2.905 0 40 GFAB CCN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)cc1 39985220 AQVRZXHCMCGJCX-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCCn1ccc2ccccc21 71284875 VACWFNOBHOEUBJ-UHFFFAOYSA-N 390.418 2.821 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218606541 KWDDTXHGUJXPFX-BJLQDIEVSA-N 391.464 2.582 0 40 GFAB COc1ccc([C@@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225944398 YDPGSNXLPNWIGR-ACJLOTCBSA-N 394.468 2.692 0 40 GFAB Cc1cccc(CN(CC(C)C)C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)c1 521763038 FQVPKPQDHZELST-UHFFFAOYSA-N 377.510 2.872 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C[C@H](O)c2cccs2)CC1 49031265 WULJQVANTWJCGP-IBGZPJMESA-N 396.516 2.640 0 40 GFAB O=C(CCc1ccccc1)N1C[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C1 96245531 LPQLVIFQJRPJDS-NHCUHLMSSA-N 377.488 2.564 0 40 GFAB Cc1nc2ncccc2c(=O)n1CCNC(=O)c1ccc(Cl)cc1Cl 95480284 UTGFUOTYWKERKC-UHFFFAOYSA-N 377.231 2.837 0 40 GFAB CCc1cccc(NC(=O)N2CCc3nc(N4CCOCC4)nc(C)c3CC2)c1 96254837 LYOCMONGYBOWHN-UHFFFAOYSA-N 395.507 2.817 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 96238139 FXBIIQFRCFFTGY-LJQANCHMSA-N 391.443 2.590 0 40 GFAB O=C(C1CCSCC1)N1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 247872470 RIPFWRZBWVJPFH-SFHVURJKSA-N 376.522 2.749 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 244394582 YGSJCHXFRRUYLA-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@](COc3ccccc3)(CC(N)=O)C2)c1 257314740 UYGAOYWRXWECFW-JOCHJYFZSA-N 382.460 2.872 0 40 GFAB Cc1cccc([C@@H]2C(=O)NCCN2C(=O)CCCc2ccc3c(c2)CC(=O)N3)c1 620356581 YRYPYIKBYGQFPB-JOCHJYFZSA-N 391.471 2.512 0 40 GFAB CC(C)N1C(=O)N[C@@H]2CN(C(=O)Nc3cnn([C@H](C)c4ccccc4)c3)CC[C@@H]21 646444901 UZCZIQDVISTHRD-LZQZEXGQSA-N 396.495 2.901 0 40 GFAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cc(-c2ccccc2)[nH]n1 390829106 CSBLCZJXRCBDGB-LBPRGKRZSA-N 390.369 2.723 0 40 GFAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)c4cccc(O)c4)C[C@@H]23)n1 575406750 RVSDMTAEYSQVSV-YYWHXJBOSA-N 382.460 2.790 0 40 GFAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2cc(F)ccc2F)c(OC)n1 72337567 XHIZUJRANRJCJG-DBIVSCPCSA-N 391.418 2.787 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2cccc(I)c2)[C@H]2C=C[C@H]1C2 102232335 NPABUOAYDFMERC-VDUILEQBSA-N 383.185 2.753 0 40 GFAB COc1ccc(C2=NO[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)cc1 5029038 GDFLYQWHARHLBC-SFHVURJKSA-N 386.404 2.853 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)Nc2ccccc21 12117933 RISJWZFOBCHBHD-YLJYHZDGSA-N 396.535 2.815 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc1 12121979 FIPKIBOZZCLYJZ-UHFFFAOYSA-N 375.432 2.761 0 40 GFAB COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 12946068 SFTRJWKXGNBWCN-NRFANRHFSA-N 382.416 2.867 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)[C@@H]2C=C[C@H]1CC2 17079405 FNLIBPLMOWCQBZ-PDWMJMLSSA-N 388.895 2.897 0 40 GFAB O=C(CCCCOCCCCC(=O)OC[C@H]1CCCO1)OC[C@@H]1CCCO1 17991830 CJMPCZXAUUWQRN-HDICACEKSA-N 386.485 2.788 0 40 GFAB CCCc1cc(C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)no1 19525274 YIRQGBSIROQBOP-HNNXBMFYSA-N 396.495 2.563 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O 8088213 DKFHEOIFGCHYHP-LDADJPATSA-N 379.416 2.789 0 40 GFAB CCOC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCN(C(C)=O)CC1 12275207 KHTRWBJWAHAKSU-KRWDZBQOSA-N 376.428 2.901 0 40 GFAB Cn1nccc1C(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 12337219 QFVPQAWGZNNIIG-UHFFFAOYSA-N 382.395 2.949 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@@H](C)c1nnc2ccccn12 26276607 DOIMHCHRRPSJLL-HNNXBMFYSA-N 380.452 2.687 0 40 GFAB COc1cccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037989189 YSOLVKJMADGJLG-NRFANRHFSA-N 385.439 2.627 0 40 GFAB COc1ccnc(N2CC[C@@H](COc3ccc4nc(C(C)(C)C)cn4n3)C2)n1 2087044671 WDLZTERIYITKLI-CQSZACIVSA-N 382.468 2.731 0 40 GFAB CCCc1nnc(SCC(=O)Nc2ccccc2C(=O)OC)n1-n1cccc1 4518552 WUJNKZVCJFREJQ-UHFFFAOYSA-N 399.476 2.861 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1 9822968 VNNGBXSYXKYBTH-HNNXBMFYSA-N 384.379 2.571 0 40 GFAB COc1ccc(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22794752 HQVPKZNEZJFBSW-JOCHJYFZSA-N 399.510 2.872 0 40 GFAB CC(C)n1cnc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)c1 1775967349 NMBWGKQWYZOYEH-GFCCVEGCSA-N 381.479 2.797 0 40 GFAB CC[C@@H](C(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O)c1ccccc1 211074828 PGNYLGXJGVWNMV-QGZVFWFLSA-N 380.448 2.950 0 40 GFAB Cc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)cc1C 4316193 WYRXSCJQGRALJA-UHFFFAOYSA-N 376.376 2.912 0 40 GFAB Cc1ccnc(Nc2ccc(NCCNC(=O)COc3ccccc3)nn2)c1 11696749 BJUUBWQZLRQMPM-UHFFFAOYSA-N 378.436 2.531 0 40 GFAB Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c(Br)c1 40090065 PZDCGHIAMFTAFO-UHFFFAOYSA-N 375.332 2.910 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCC2)cc1Cl 20068908 YQHLJODUJJFQKF-HUUCEWRRSA-N 393.900 2.630 0 40 GFAB Cc1cc(=O)c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)nn1-c1ccccc1 10898498 ZBOLCBLGVPFOQM-UHFFFAOYSA-N 399.454 2.999 0 40 GFAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2Cc2ccccc2)cc1 1238137 SKSILDODKYRQKN-UHFFFAOYSA-N 396.476 2.801 0 40 GFAB COc1ccc(C2(O)CCN(CC(=O)N(C)C3CCCCC3)CC2)c(OC)c1 4967545 MWMXAISPUNNLCO-UHFFFAOYSA-N 390.524 2.778 0 40 GFAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)cs1 6681780 QQSFQGFKUAMMMF-ZDUSSCGKSA-N 380.491 2.766 0 40 GFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc(OC)c2)cc1 2420469 GYRHMTXUWHKJPD-UHFFFAOYSA-N 391.427 2.712 0 40 GFAB COc1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1O 101392142 KLZBGELVZUZBBL-AHZSMNOQSA-N 398.346 2.648 0 40 GFAB COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 20738997 GICOOEJPLHRPBO-LJQANCHMSA-N 388.508 2.728 0 40 GFAB O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1cccc(F)c1 20802322 STGAGDKBSIDWJS-UHFFFAOYSA-N 395.438 2.632 0 40 GFAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2nnnn2-c2ccccc2)CC1 101917832 GHFMLKOMHNXKBU-UHFFFAOYSA-N 380.427 2.652 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2cccs2)n2nnnc2N3)c1 10297035 FPZUUSKNESZXBS-HNNXBMFYSA-N 379.405 2.601 0 40 GFAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)s1 21331490 GRKXWHAFUKAFGH-ZDUSSCGKSA-N 389.477 2.677 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCO[C@H](C)C3)C2)c2ccccc12 11500233 DVQJBFREBNCJFH-SJORKVTESA-N 396.487 2.948 0 40 GFAB O=C(OCCCOc1ccc(F)cc1)c1ccccc1CN1C(=O)CNC1=O 23076716 BBCVXLHGGIAPNI-UHFFFAOYSA-N 386.379 2.503 0 40 GFAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 2640613 OZJUOIHWIUBPID-UHFFFAOYSA-N 397.406 2.989 0 40 GFAB O=C(/C=c1/[nH]c(=O)/c(=C/c2c(F)cccc2F)s1)c1ccc(Cl)cc1 103336929 BPVJNBHALXEORU-JCDHFMOQSA-N 377.799 2.860 0 40 GFAB O=C(Nc1cnn(CC(F)(F)F)c1)c1cc2ncc(Br)cn2n1 2791143 ZQELHIBWWHXXTN-UHFFFAOYSA-N 389.135 2.503 0 40 GFAB COc1ccc([C@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N2CCCC2)cc1 46868334 NCVRKZOTZSBCHI-NRFANRHFSA-N 399.535 2.597 0 40 GFAB FC(F)(F)c1ccn(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)n1 2809511 UHTNZXVBCIOXFL-UHFFFAOYSA-N 384.325 2.727 0 40 GFAB O=C(c1cccc2cccnc12)N1CCN(Cc2nnc3n2CCCCC3)CC1 54745891 OVNGLSLHFQTHII-UHFFFAOYSA-N 390.491 2.511 0 40 GFAB Cc1sc(CNC(=O)CNC(=O)NC2CC2)nc1-c1ccc(Cl)cc1 56248300 CEZOHSOCDVYIHN-UHFFFAOYSA-N 378.885 2.850 0 40 GFAB Cc1ccc2nc(COC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cc(=O)n2c1 26443185 WWVGOOFMLIJISZ-IBGZPJMESA-N 394.427 2.918 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491350 XFJJMCHRCIVHMF-UHFFFAOYSA-N 391.880 2.784 0 40 GFAB COc1cc(C(=O)N[C@@H](C)c2ccccc2F)cc(Cl)c1OCC(N)=O 26680961 VPIRJWYHUKGVBB-JTQLQIEISA-N 380.803 2.843 0 40 GFAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCN(c2ccccn2)CC1 12544520 XVJDZOPWNKIEJV-UHFFFAOYSA-N 379.489 2.913 0 40 GFAB C[C@H](OCCCNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 12526336 GSRZPQLTIWRGHK-HNNXBMFYSA-N 376.478 2.956 0 40 GFAB O=S(=O)(NC1CCN(c2ncnc3sccc23)CC1)c1cccs1 10044572 XXKHNIWQAOMGCY-UHFFFAOYSA-N 380.520 2.700 0 40 GFAB COc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3C(N)=O)cs2)cc1 58434171 FRGXXPUXCMJYDQ-KRWDZBQOSA-N 379.441 2.876 0 40 GFAB O=c1cccc2n1[C@H]1C[C@@H](C2)CN(c2ncnc3c2cnn3-c2ccccc2)C1 10587801 IEIIYCMBZLHUFW-QAPCUYQASA-N 384.443 2.601 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1c(O)cccc1Cl 48309266 AENAVIVCTSBYMC-MRXNPFEDSA-N 378.831 2.988 0 40 GFAB FC(F)(Cl)c1nnc2sc(CCc3nc(-c4ccncc4)no3)nn12 61718464 DTBNQTDWRNVYCX-UHFFFAOYSA-N 383.771 2.704 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@@H](O)c3ccccc3)c(C)c12 8491557 JKHZCPTWFSKGPD-QGZVFWFLSA-N 381.428 2.811 0 40 GFAB biogenic CCc1cccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)c1 12986724 OAZGXCSDSQJTHR-UHFFFAOYSA-N 377.326 2.789 0 40 GFAB COC(=O)[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccccc1 60318036 QFABJGZMBXCCER-SFHVURJKSA-N 378.432 2.798 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[C@@H]1CCCc2ccccc21 3594595 MLLKUPNSBYJQMH-AUSIDOKSSA-N 389.455 2.574 0 40 GFAB CC[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CCO1 63734373 SWFKLAWDUNLDNU-DZGCQCFKSA-N 382.407 2.530 0 40 GFAB Cc1cccc(C)c1OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4183432 KNFUUSOFLBQEGI-INIZCTEOSA-N 393.530 2.960 0 40 GFAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccncc2)CC1 13691405 QTOHYKRWUVARSD-UHFFFAOYSA-N 376.460 2.870 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccnc2)N1CCc1ccccc1 13730706 WAGZUZMHXZKCLC-UNMCSNQZSA-N 394.496 2.973 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2)n(C)c1=O 8625538 WXTWEFQWOVAYJB-UHFFFAOYSA-N 381.480 2.937 0 40 GFAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCO[C@H]2CCCC[C@H]21 69946647 MDXCPJOOEZRTEC-MOPGFXCFSA-N 377.916 2.632 0 40 GFAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 14245942 DIHFWXHTEUEFTG-UHFFFAOYSA-N 382.869 2.780 0 40 GFAB O=c1c2ccccc2[nH]c(=S)n1-c1cccc(S(=O)(=O)N2CCCC2)c1 6508665 GIHSZHCNERHCKY-UHFFFAOYSA-N 387.486 2.833 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 4862900 HSVKCNAZNOMLDI-WBVHZDCISA-N 397.818 2.637 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)cc1 6810365 FPXNZBJBKISHGW-KRWDZBQOSA-N 391.489 2.745 0 40 GFAB Cc1c(C(=O)N2CCCc3ccccc32)nnn1-c1ccc2c(c1)OCCO2 67152065 UIESEGBIYBRWHF-UHFFFAOYSA-N 376.416 2.940 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 5931926 WVWMIOZTQNXTDH-UHFFFAOYSA-N 392.459 2.570 0 40 GFAB CC1=Nn2c(nc3scc(-c4ccccc4)c3c2=O)S[C@@H]1C(=O)N(C)C 8924599 GGIFNTZOFPZRDZ-AWEZNQCLSA-N 384.486 2.912 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)NC1CCN(Cc2ccccc2)CC1 15425581 HABXRKHVZATMAI-UHFFFAOYSA-N 379.504 2.896 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl 28208216 DDHJKGAMIBKFIX-UHFFFAOYSA-N 376.906 2.618 0 40 GFAB CS(=O)(=O)c1ccc(F)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 15612957 DFXXIISJJIYYFR-UHFFFAOYSA-N 390.436 2.537 0 40 GFAB CCOc1ccc(OCCNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1 7435468 SETBOAHHJMSQEX-UHFFFAOYSA-N 393.443 2.748 0 40 GFAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc2c(c1)OCCO2 9096198 OYJKXEUOSLRNGE-UHFFFAOYSA-N 388.493 2.887 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7640331 OBFZLIPKPJRXHO-UHFFFAOYSA-N 381.432 2.581 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O 8186044 HQHDHMPGKNYVAX-FQEVSTJZSA-N 395.371 2.673 0 40 GFAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc(C)c(C(=O)N(C)C)s3)o2)n1 28227796 NBLZNVIXAKFHMG-UHFFFAOYSA-N 387.465 2.860 0 40 GFAB C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cnc2n1CCCC2 89894552 KORJWKZEIIZAHB-MRXNPFEDSA-N 395.507 2.967 0 40 GFAB O=C(CN1CC[C@H]1c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2 72308973 KSVNJIFKXWHEOA-INIZCTEOSA-N 385.395 2.692 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1 9985403 HWSXUEMAHNAUOB-FQEVSTJZSA-N 393.439 2.898 0 40 GFAB Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc(F)ccc21 22236417 SDKCUKSXBLFGQB-UHFFFAOYSA-N 383.398 2.779 0 40 GFAB COc1ccc(CCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 22327264 VPWDSMWFCQYYBK-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB Cc1cccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c1C 408986197 OMQWJSRLMJZXQM-NRFANRHFSA-N 399.450 2.978 0 40 GFAB CN1C(=O)C[C@H](C(=O)Nc2cnc(-c3ccccc3)s2)[C@@H]1c1ccnn1C 516589688 GEHWWUHFEOTRCU-SUMWQHHRSA-N 381.461 2.702 0 40 GFAB C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)NCCC1=CCCCC1 32910875 RVVGIPVUWQSEIH-HNNXBMFYSA-N 398.459 2.892 0 40 GFAB O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)[C@H]1CC(=O)N(C2CCCCC2)C1 530644854 LXUXTKNTXRVGBH-NSHDSACASA-N 389.406 2.870 0 40 GFAB CCCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 72321086 OENGIPYJQUCEFS-DENIHFKCSA-N 382.460 2.886 0 40 GFAB biogenic,in-vitro CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccccc1 217508125 PSXBDPNZJCYYGT-UHFFFAOYSA-N 392.477 2.702 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 72372532 MFHYHVHQLOEGOR-QGZVFWFLSA-N 390.513 2.647 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(CO)C(=O)O)cc1 218430229 UWFYGLGCIPEKSP-JFIYKMOQSA-N 380.849 2.651 0 40 GFAB COc1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc(OC)c1OC 36735650 VHQPPRWDMLMPOF-UHFFFAOYSA-N 390.480 2.577 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC 38755691 MKNHOAYOAWLNNN-ZDUSSCGKSA-N 392.477 2.875 0 40 GFAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1cnc2ccccn2c1=O 36390642 DPPMDLDKPARMNR-KRWDZBQOSA-N 390.487 2.999 0 40 GFAB Cc1cccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)c1 64593445 HNWOHPRFBSQDNJ-UHFFFAOYSA-N 391.456 2.919 0 40 GFAB CCC1(CC)C[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2O1 225613034 JJDNHNMJWZCQJL-QGZVFWFLSA-N 394.537 2.857 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC1=CCCCC1 225131475 USCVVUCKUHGJKG-OAHLLOKOSA-N 380.510 2.856 0 40 GFAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224228299 ZXMZRYQUZUWOQL-UHFFFAOYSA-N 396.896 2.931 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220327535 IQOAUQSGRAXAQO-CQSZACIVSA-N 392.477 2.805 0 40 GFAB O=C(O)c1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 96112919 RPZZKVFUONDUFX-HNNXBMFYSA-N 395.390 2.716 0 40 GFAB biogenic,in-vitro Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)n1C 257335320 YJRSEKPPPQSZEV-INIZCTEOSA-N 376.464 2.675 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H](C)c1ccccc1 260842630 JZYGXRJOKQGLTL-HOTGVXAUSA-N 390.505 2.770 0 40 GFAB CN1C[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)C1=O 462223823 QQUIJQWFHHRTHF-BZUAXINKSA-N 383.414 2.670 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3c3cccnc3)c(F)cc2N1 614602457 WVSZQHUYZRLPFB-MRXNPFEDSA-N 375.425 2.631 0 40 GFAB Cc1cc(N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)nc(CO)n1 1117295820 HPEYTDXBZKVNNK-HXUWFJFHSA-N 383.473 2.882 0 40 GFAB O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1CCc1c(C(F)(F)F)[nH]c2ccccc12 630989700 JAKIMYBXWLGOAD-AWEZNQCLSA-N 391.353 2.615 0 40 GFAB Cc1nnc2n1C[C@H](NC(=O)c1nn(-c3cccc(F)c3)c3c1CCCC3)CC2 643303828 VBPLMQWUDJBPAQ-OAHLLOKOSA-N 394.454 2.535 0 40 GFAB CC1(C)CN([C@@H](CNc2nc(C(=O)O)co2)c2ccc(Cl)cc2)CCO1 649388373 VJLWNMCLWJXMFJ-HNNXBMFYSA-N 379.844 3.290 0 40 GFAB COC(=O)C1(N(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C2CC2)CCC1 595547245 ONDBMKXDWYBDSH-UHFFFAOYSA-N 395.385 2.741 0 40 GFAB CCn1cc(-c2cc(C(=O)N3CCN(C)C(=O)[C@@H]3C)c3ccc(C)cc3n2)cn1 63870485 WFJSIOVABOCPCY-HNNXBMFYSA-N 391.475 2.729 0 40 GFAB Cn1nc(-c2ccccc2NC(=O)c2ccc(Cn3ccnc3)cc2)ccc1=O 96097799 NOCQVXFTAULLSM-UHFFFAOYSA-N 385.427 2.944 0 40 GFAB O=C1NCCN(Cc2cc3n(n2)CCCC3)[C@H]1c1ccc(OC(F)(F)F)cc1 585090067 JHYMLTGRKHAVJY-KRWDZBQOSA-N 394.397 2.791 0 40 GFAB Cc1cc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1Br 60060234 AONBPKRBHFIIAH-UHFFFAOYSA-N 394.254 2.534 0 40 GFAB CCNS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1 207720784 BXAQPYMORSGNHV-UHFFFAOYSA-N 396.896 2.619 0 40 GFAB in-vitro COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 5443797 VJDFMBLCKUEEBB-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(Cl)ccc3nc2-1 5140055 MXIBGRFZFZXAKG-FQEVSTJZSA-N 382.803 2.733 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)n1 12088654 ORBIARYHXWPYCP-QGZVFWFLSA-N 376.464 2.909 0 40 GFAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)c1ccc2c(c1)CCCC2 19346776 XFRJHBXKCGFUCE-IBGZPJMESA-N 389.503 2.817 0 40 GFAB O=S(=O)(c1ccccc1F)N1C[C@@H]2CCC[C@@](O)(c3cccnc3)[C@H]2C1 248071371 YDUASYHCNSOLTH-URLQWDBASA-N 376.453 2.529 0 40 GFAB O=C1COc2ccc(S(=O)(=O)N[C@H]3CCSc4ccc(F)cc43)cc2N1 29350824 ZGGQFAYPEUVZEH-ZDUSSCGKSA-N 394.449 2.672 0 40 GFAB COc1cccc(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)c1OC 2037984336 XXVFLEYERDBPLU-NRFANRHFSA-N 376.497 2.696 0 40 GFAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3ccn(C)n3)CC[C@H]21 2037988797 IRCPGJUADYJAIM-PZJWPPBQSA-N 396.535 2.874 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 4373603 IPWONUIPPWHIML-MRXNPFEDSA-N 392.459 2.824 0 40 GFAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)c(C)c1 8954883 KYMNXCXSHKVULQ-UHFFFAOYSA-N 389.502 2.567 0 40 GFAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)CC3CCCC3)c2=O)cc1 9016239 UIWSBAGLRUJDSW-UHFFFAOYSA-N 393.491 2.646 0 40 GFAB O=C(CN1CCc2[nH]c3ccccc3c(=O)c2C1)NCc1ccccc1Cl 48988341 KVKQOJAZMNJRJK-UHFFFAOYSA-N 381.863 2.856 0 40 GFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc(C)c3C)ccc12 2712373 VUUMEEBZORBYPP-UHFFFAOYSA-N 394.427 2.809 0 40 GFAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2ccccc2Br)n1 15881326 KCIPBSPIPRINJT-UHFFFAOYSA-N 388.225 3.000 0 40 GFAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 20101586 PNCTYIBFMDLTOV-HNNXBMFYSA-N 384.867 2.630 0 40 GFAB COc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 1379212 IERHBDJKZZJBOL-QGZVFWFLSA-N 378.425 2.626 0 40 GFAB COc1cc(C(=O)NC(=S)Nc2cccnc2Cl)cc(OC)c1OC 2236812 MEUDPFVDNGYERN-UHFFFAOYSA-N 381.841 2.888 0 40 GFAB Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c(C)c(C)sc2n1 3307744 NGCHLMIZZPPMQT-UHFFFAOYSA-N 376.507 2.919 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)Oc2ccccc21 20452470 BBAOXMDZQCYUNF-HNNXBMFYSA-N 384.816 2.645 0 40 GFAB NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2 4112823 QVMVBPAPBMXUBR-PKIAMQTDSA-N 388.489 2.967 0 40 GFAB CC1=CC[C@H](C(=O)O)[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1 4263132 XQHIJENHNLBVQI-RYUDHWBXSA-N 394.474 2.695 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885331 HPUXACWYEUDBLN-MSQSPTIYSA-N 396.418 2.516 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)ccc21 6535247 KLNQCBNXSRUJNR-OKILXGFUSA-N 385.464 2.671 0 40 GFAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(F)cc2)CC1 7106129 SZCRRPXVYYIAAH-HNNXBMFYSA-N 385.414 2.667 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2)N2CCCN32)cc1 100568151 NSVJBXXWSGHFDE-AABGKKOBSA-N 377.444 2.621 0 40 GFAB COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 8304299 ONGNUFXMGUBKCO-UHFFFAOYSA-N 398.484 2.785 0 40 GFAB COc1ccc(F)cc1C(=O)COC(=O)CCn1cnc2c(C)cccc2c1=O 10876725 YSTULGCPQMLOKP-UHFFFAOYSA-N 398.390 2.669 0 40 GFAB C[C@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1 41281350 VGOSBGBQIXHPND-AWEZNQCLSA-N 392.452 2.629 0 40 GFAB CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br 32916533 JFMVHWVKNKGBMP-UHFFFAOYSA-N 392.315 2.967 0 40 GFAB COc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738286 ZXDHHSAMJPHRST-RTBURBONSA-N 395.503 2.687 0 40 GFAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 89548062 ICZVUBOBZFWJRT-MRXNPFEDSA-N 385.508 2.744 0 40 GFAB CCN1CCC(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 46787843 IKDIUADZHXMAGO-AWEZNQCLSA-N 384.446 2.917 0 40 GFAB CC(C)CNc1nnc(SCC(=O)N(CC(=O)O)c2ccccc2)s1 24752732 SWEVECVEXBEPEZ-UHFFFAOYSA-N 380.495 2.816 0 40 GFAB C[C@@]1(C(=O)NCc2ccc(Cn3cccn3)cc2)Cc2ccccc2C(=O)O1 24747660 FMHCUBCXBVZQJQ-QFIPXVFZSA-N 375.428 2.719 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)cc(F)c1 22227320 DCUSQTXLOSACSX-UHFFFAOYSA-N 394.443 2.722 0 40 GFAB CC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 47423083 NTCNRHBJRLZLOV-HNNXBMFYSA-N 387.505 2.843 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 20019741 AHMFDEHWGQVBNG-UHFFFAOYSA-N 380.441 2.840 0 40 GFAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc(OC)c3)ccc21 20215037 KAGUOTGTAIPVGG-UHFFFAOYSA-N 375.450 2.652 0 40 GFAB CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 107509017 CAZRVGSBVPONLY-DENIHFKCSA-N 386.584 2.572 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCCN2CN1CCSC1=S)N1CCCC1 26615760 FRSHRUZKVBXBKY-UHFFFAOYSA-N 397.591 2.515 0 40 GFAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC1CCCC1 408709884 YVMIUHWFLDWCFR-UHFFFAOYSA-N 379.460 2.922 0 40 GFAB Cn1cnc2c1c(=O)n(CCCSCc1cccc3ccccc13)c(=O)n2C 12535109 TXURBBDITPRPLM-UHFFFAOYSA-N 394.500 2.910 0 40 GFAB C[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C(F)F 12529431 ANXGTDXBPGTOGB-GFCCVEGCSA-N 397.389 2.941 0 40 GFAB COC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(C)c(Cl)c(=O)oc2c1 3183110 ACTSPIHLGHIAGG-NXEZZACHSA-N 398.795 2.635 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 58426837 TUMVXLJOANCZJP-INIZCTEOSA-N 378.350 2.822 0 40 GFAB CC(C)N1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 58406596 PSAOGNWDIYEVMK-HNNXBMFYSA-N 380.483 2.963 0 40 GFAB COc1ccc([C@@H](CC(=O)NCCCN2CCC(C)CC2)NC(C)=O)cc1 28070305 JJUHNJFJGGIUDD-HXUWFJFHSA-N 375.513 2.501 0 40 GFAB NC(=O)[C@H](OC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccc(F)cc1 10500267 PIILWKIAARAQKU-FKVZDPJESA-N 377.755 2.991 0 40 GFAB COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 20503579 CFHJNLGARGDGIY-DLBZAZTESA-N 399.466 2.582 0 40 GFAB biogenic,in-vitro O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(OC(F)(F)F)cc1 3360271 YRGRWXNKRPBJAU-UHFFFAOYSA-N 385.342 2.778 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2S(C)(=O)=O)c(C)c1 7856583 FITOJMVZIQUCBL-CQSZACIVSA-N 375.446 2.891 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c(C)c1 48363322 IXSIWCUVVQONSC-ROUUACIJSA-N 389.496 2.612 0 40 GFAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)C 8328490 ZUJMCEYRIQACHU-RMKNXTFCSA-N 388.445 2.626 0 40 GFAB O=C([C@H]1CN(C(=O)c2cc3ccccc3o2)c2ccccc2O1)N1CCOCC1 8324565 SIUGGODFXGXZPV-HXUWFJFHSA-N 392.411 2.699 0 40 GFAB CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 8165195 NNRILXYNYMXZBQ-CQSZACIVSA-N 382.464 2.707 0 40 GFAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc[nH]c1=O 65474813 SKSBNESXKQWPSS-UHFFFAOYSA-N 378.310 2.840 0 40 GFAB O=C(NCc1ccc(Cl)cc1)c1nc(COc2ccc3c(c2)OCO3)no1 20724893 ODVUPKWIAHQJEK-UHFFFAOYSA-N 387.779 2.961 0 40 GFAB Cc1ccc(NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1C 4563302 CQZHRCHLGFTDLO-UHFFFAOYSA-N 379.416 2.968 0 40 GFAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408635883 IXDIDVCNUFSMTH-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NC1CCCCCC1 6790105 XJMMNPTVWOUHAT-UHFFFAOYSA-N 389.420 2.679 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1 6811051 GTKIKYXZQCHGJY-KRWDZBQOSA-N 391.464 2.729 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C2=O)cc1 7278089 HCFPKVRVHFNYEH-BTYIYWSLSA-N 389.496 2.793 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 9576499 USDHGSZDPJAGJJ-UHFFFAOYSA-N 377.444 2.704 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2cc(C)ccc2C)cc1 22841071 PEJBZOADBQHQHA-HXUWFJFHSA-N 388.533 2.964 0 40 GFAB CS(=O)(=O)N1CCC[C@H](CSc2nnc3sc4ccccc4n23)C1 72312934 DKJXLNGFTRPIFK-NSHDSACASA-N 382.536 2.708 0 40 GFAB CN1CC2(CCN(Cc3ccccn3)CC2)c2nn(CC3CCC3)cc2C1=O 306128929 HOPHOXWQMPUUEC-UHFFFAOYSA-N 379.508 2.698 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 408562755 BCCNWDMJFFHMRF-SJCJKPOMSA-N 384.354 2.987 0 40 GFAB COC[C@@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408702930 KJGSYHUXRUHEKO-LLVKDONJSA-N 397.324 2.691 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218607965 DGOJOBKVXMEEOL-BQFCYCMXSA-N 397.855 2.679 0 40 GFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218653252 UCSAYDBOFVSVBW-LNLFQRSKSA-N 393.892 2.872 0 40 GFAB Cc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccccc2C)c(C(F)(F)F)o1 72321745 IPAIZRMGIUBVEA-DTZQCDIJSA-N 383.366 2.923 0 40 GFAB biogenic,in-vitro COCCn1ccc2c(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cccc21 71284167 OCFUMYARSRYAEO-UHFFFAOYSA-N 390.443 2.716 0 40 GFAB Cc1ccc(CN2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1 36615133 NFFIYWCPGLXQQW-UHFFFAOYSA-N 398.479 2.710 0 40 GFAB Cc1cccc2cc(CNc3ccc(N4CCNC(=O)CC4)cc3)c(=O)[nH]c12 72389371 OYKNYYFVONHPOC-UHFFFAOYSA-N 376.460 2.775 0 40 GFAB NCC1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218473807 KVUJHVCOAZYBNB-CVEARBPZSA-N 385.316 2.837 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)ccc1Cl 223515708 WLYPHIDFJXNICR-CYBMUJFWSA-N 388.917 2.527 0 40 GFAB CCCC[C@H](CC)CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 224483940 BRSYJPDPUQACDW-YJBOKZPZSA-N 382.526 2.855 0 40 GFAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220638015 KJNGWIASFHIRJZ-GOSISDBHSA-N 392.477 2.887 0 40 GFAB O=S(=O)(c1ccccc1)n1ccc2c(I)ccnc21 95919965 BHDRTYDXPXSDTB-UHFFFAOYSA-N 384.198 2.878 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2[nH]nc3c2CCCC3)CC1 97676326 WWYUUUCRAHOAKK-UHFFFAOYSA-N 386.883 2.930 0 40 GFAB CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(Br)cc1 96518143 WFSNDOGNSXUDNR-SECBINFHSA-N 390.480 2.964 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230213 NKVDDHHSNMJOSL-ISJRUSPKSA-N 392.455 2.767 0 40 GFAB O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc(-n2cccc2)ccn1 583710538 FGFGMTWESNOGQL-UHFFFAOYSA-N 376.460 2.999 0 40 GFAB CN1c2ccccc2N(CCNC(=O)Nc2cccc(Cl)c2)S1(=O)=O 253471574 DHMUQMMULMLJCS-UHFFFAOYSA-N 380.857 2.663 0 40 GFAB O=C(COc1ccccc1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257268068 MKBGAEUTSIOLPY-UHFFFAOYSA-N 390.447 2.795 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)c2c1 608339656 DOFZCWCQQWHVGW-UHFFFAOYSA-N 394.431 2.896 0 40 GFAB COc1ccc([C@H](CNC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)N2CCCC2)cc1 626745313 SIODRYUFJLQXSR-MNEFBYGVSA-N 389.496 2.584 0 40 GFAB O=C(NCc1cccc(C(=O)O)c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 635514620 MWWFTAWTEHGPQT-UHFFFAOYSA-N 399.413 2.989 0 40 GFAB COc1ccc(NC(=O)NCc2c(C3CC3)cnn2C)cc1N1CCCC1=O 585100177 DQJJKMPRMBQMNK-UHFFFAOYSA-N 383.452 2.755 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)cc4)CC3)[C@H]2C1 585106312 SEJPQSXDYPFOBN-SXLOBPIMSA-N 383.536 2.836 0 40 GFAB CCc1noc(C)c1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154255 FBBIGFPHBRJCGZ-NRFANRHFSA-N 383.448 2.584 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)N(C)C1=S 8091460 ZRBZHEIFMNUOKM-ATVHPVEESA-N 396.468 2.838 0 40 GFAB COc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(O)c([S@](C)=O)c2)cc1 5735012 PAQZZCOZHPGCFW-RWQSDXQISA-N 377.506 2.783 0 40 GFAB in-man CCOc1ccc(OCC)c(NCc2nnc3n(C)c(=O)c4ccccc4n23)c1 11618539 KFKKHZBDOGWZOV-UHFFFAOYSA-N 393.447 2.991 0 40 GFAB C[C@H](NC(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C)c1ccccc1 15673403 QOULHRGLSPWNTH-ZDUSSCGKSA-N 387.436 2.566 0 40 GFAB COc1ccc(CN(C)C(=O)[C@@H](C)N2C(=O)[C@@H](C)Oc3ccccc32)cc1OC 19462007 BZVIKINCRUTFQH-HUUCEWRRSA-N 398.459 2.865 0 40 GFAB COc1ccccc1C(=O)N1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 19660844 FBJWXFJPIFWWMM-UHFFFAOYSA-N 398.850 2.595 0 40 GFAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)CC3CCCC3)CC2)n1 19697509 NFIKEOWFSFZTJF-KRWDZBQOSA-N 399.539 2.750 0 40 GFAB CC(C)CN1CCC2(CC1)N=C(O)N([C@@H]1CCCN(Cc3ccccc3)C1)C2=O 19699758 ILTXIDDFQIWAEI-HXUWFJFHSA-N 398.551 2.898 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(CN(C)C)n(C)n2)cc1C 19709598 GRXWMIJKTBCLRD-LJQANCHMSA-N 376.526 2.624 0 40 GFAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)c1nnn(-c2ccccc2F)c1C 19712342 FWCIKFMDCSTRIA-MOPGFXCFSA-N 399.470 2.720 0 40 GFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)NC3CCCC3)CC2)C1 12365567 NKPRMNILOYDHRF-UHFFFAOYSA-N 399.535 2.629 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc1 19555146 SDHWWONBZOUUTQ-MRXNPFEDSA-N 377.448 2.615 0 40 GFAB CCN1CCN(C(=O)COC)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527493 XYDNBGVWQUVBHH-NRFANRHFSA-N 380.488 2.849 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1C 13094186 MNBJTXIHPRBZJI-UHFFFAOYSA-N 394.518 2.570 0 40 GFAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1c(F)cccc1F 4569500 GRKALNUTZNAPBF-LLVKDONJSA-N 386.445 2.609 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708595 JXSAMRULOQFCLY-UHFFFAOYSA-N 387.798 2.892 0 40 GFAB O=C1C[C@H](CN2C(=O)NC3(CCCCC3)C2=O)CN1Cc1cc(F)cc(F)c1 2298048460 IADUFNXULBASNW-AWEZNQCLSA-N 391.418 2.568 0 40 GFAB CC1(C)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 12752416 BIEDOYKNIBSCTR-UHFFFAOYSA-N 397.275 2.993 0 40 GFAB CCc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1 13769472 GVYYWSFPOBKHBH-UYRXBGFRSA-N 389.480 2.521 0 40 GFAB CCN1CCN(C(=S)SCC(=O)Nc2ccc(C(F)(F)F)cn2)CC1 215704379 FEXFDPWOVJUNRC-UHFFFAOYSA-N 392.472 2.695 0 40 GFAB CN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](c2ccccc2)C1 40007787 UCHKAKSHPGAAPF-ZNKOEICNSA-N 395.547 2.834 0 40 GFAB COc1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1OCC(=O)NC(C)C 40141563 OIYJWTBYCFDSQC-UHFFFAOYSA-N 391.449 2.510 0 40 GFAB Cc1ccc2ncn(CC(=O)NCCc3ccc(OC(F)F)cc3)c(=O)c2c1 40116998 GIKVORFRBDFCEQ-UHFFFAOYSA-N 387.386 2.665 0 40 GFAB COc1cccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCCO4)c2C)c1 30888238 FBMOFMGPCBCAQT-UHFFFAOYSA-N 380.404 2.998 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCc3nc4ccccc4n3C)CC2=O)cc1F 36398141 KXCUOOJHLRUGCR-CQSZACIVSA-N 380.423 2.690 0 40 GFAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 10846891 NUDFUDWYCDDUNI-RISCZKNCSA-N 398.481 2.607 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 932346 OPJIAIVRUHASJL-BETUJISGSA-N 391.497 2.561 0 40 GFAB CN(Cc1ccccc1Cl)C(=O)NC[C@]1(N2CCOCC2)CCSC1 31166515 YZOPFMMFZOJNNI-GOSISDBHSA-N 383.945 2.689 0 40 GFAB O=C(Nc1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1)c1ccco1 11146972 PYBZRBWGECIPNV-INIZCTEOSA-N 395.459 2.939 0 40 GFAB CCN1CCc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)C1 20518956 VLBRYLJZOZDADC-UHFFFAOYSA-N 379.493 2.767 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1Cl 6362127 FUVLLVFWZQIPEF-UHFFFAOYSA-N 385.825 2.701 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)cc1C 6472726 CWQZDDXXJNLDEC-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB Cc1cc(C(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)c2cnn(C)c2n1 36616226 CQJSZBPMINAESL-UHFFFAOYSA-N 399.817 2.961 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 10360379 AGNDCAGZIAYPAZ-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)[C@H]1CCCO1 36758228 JETPOHNGABOVNG-HNAYVOBHSA-N 394.537 2.937 0 40 GFAB CC(C)n1ncc2cc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)cnc21 32865840 HJFVBIUZJFVZBU-GOSISDBHSA-N 393.447 2.508 0 40 GFAB NC(=O)c1cccnc1N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 29429483 BPAYVXLAPZWPEX-UHFFFAOYSA-N 399.804 2.964 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1C 20801253 LLOGGXDSZYYIBL-UXHICEINSA-N 391.471 2.760 0 40 GFAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCc2nc(-c3ccsc3)no2)on1 21913463 BXLRLKFABRDJSK-JTQLQIEISA-N 376.394 2.598 0 40 GFAB CCC(CC)C(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914260 GYANOYDHXWWWOJ-LBPRGKRZSA-N 392.315 2.994 0 40 GFAB COc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 22772449 RUDACAOQPYKNOB-UHFFFAOYSA-N 393.940 2.844 0 40 GFAB COc1ccc(CN2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 22810338 WZZGNOAOOBRLBI-UHFFFAOYSA-N 397.523 2.763 0 40 GFAB C[C@@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)[C@@H]1CCCO1 46972664 UVALEYCOGGVZMK-UZLBHIALSA-N 381.476 2.875 0 40 GFAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1 23732474 UDDYVSLLPXCLJI-UHFFFAOYSA-N 383.517 2.829 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1F 23761840 KJDKPDHNSPXNBZ-UHFFFAOYSA-N 396.418 2.899 0 40 GFAB CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccc(OC)cc3)[nH]c(=O)c12 23761104 MMRRCQVOFGLFDX-UHFFFAOYSA-N 385.420 2.642 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 106089478 VTCQCEXXXLZSLS-XFQXTVEOSA-N 382.508 2.862 0 40 GFAB COC(=O)c1ccc(COC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)cc1 24753105 BDVSTUPFTHXIPQ-HUUCEWRRSA-N 384.432 2.839 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1 55292959 YPDZPXZNWBVKPT-GOSISDBHSA-N 397.500 2.607 0 40 GFAB COC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 103891304 DQJCYEDLMBWMFG-NVXWUHKLSA-N 397.818 2.556 0 40 GFAB COCc1c(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)oc2ccccc12 7987148 COPXWYKWWWRFDD-GFCCVEGCSA-N 388.445 2.718 0 40 GFAB COc1ccc([C@H](CNC(=O)c2cccnc2SC)N2CCOCC2)cc1 25776981 BAZGLWUBBBAFBE-SFHVURJKSA-N 387.505 2.615 0 40 GFAB CSCc1noc(CCC(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)n1 89553082 IQXZPXMPTZPTLH-VIFPVBQESA-N 385.392 2.714 0 40 GFAB COc1ccc([C@H](NC(=O)[C@@H]2COc3ccccc3C2)c2nccn2C)cc1 12549723 VBANXNWSQNSAOE-PXNSSMCTSA-N 377.444 2.886 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 27294634 BLXDZCRLODTQJE-MRXNPFEDSA-N 398.459 2.742 0 40 GFAB COc1ccc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1 58173674 MDHFHODJFYKTEE-UHFFFAOYSA-N 375.391 2.814 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2NC1=O 8016734 ZZBUXQMPABANCQ-LBPRGKRZSA-N 399.472 2.958 0 40 GFAB Cc1nn(C(F)F)c(C)c1CC(=O)NCCc1cc(F)cc2c1OCOC2 58421681 BHCGCGXGDPQKEI-UHFFFAOYSA-N 383.370 2.802 0 40 GFAB COc1ccccc1NC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 16500881 GUVKZJDUTFYLHX-UHFFFAOYSA-N 391.493 2.845 0 40 GFAB Cc1cnc(C(=O)OCc2ccc(COC(=O)c3cnc(C)cn3)cc2)cn1 3341648 KVEOOOSVBMAMJW-UHFFFAOYSA-N 378.388 2.597 0 40 GFAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(F)cc3)c2C(N)=O)C1 3356345 RWFJJBBZHIMQBJ-JTQLQIEISA-N 390.436 2.906 0 40 GFAB Cc1ccccc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3442266 LOZNMIZQUKTSAS-UHFFFAOYSA-N 390.530 2.620 0 40 GFAB Cc1sc2ncn(CCC(=O)NC[C@@H](c3ccccc3)N(C)C)c(=O)c2c1C 12918243 VGEZUKLVYMBMFM-KRWDZBQOSA-N 398.532 2.884 0 40 GFAB COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(N)(=O)=O 13110169 VRUQNTFTUOUCDW-JSFDKUKPSA-N 392.521 2.677 0 40 GFAB Cn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1cccnc1 8719086 XGBQHFKWFCJFQP-QGZVFWFLSA-N 395.488 2.569 0 40 GFAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCC(Cc2ccccc2)CC1 5492126 ZSOYABKYEBNJRG-UHFFFAOYSA-N 379.439 2.961 0 40 GFAB O[C@H](COCCOc1ccc(Cl)cc1)CSc1nnc2ccccn12 14200904 JPZRDSCJABMCNW-CQSZACIVSA-N 379.869 2.931 0 40 GFAB O=C(Nc1cc2c(cc1Br)OCCO2)[C@@H]1COc2ccccc2O1 6847906 VSYNXBSONGRTHC-INIZCTEOSA-N 392.205 2.999 0 40 GFAB COc1ccc(CCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC 20038004 QBADJAYNXUSDSF-UHFFFAOYSA-N 392.477 2.671 0 40 GFAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 7490625 WTRDYRFZJBEUDS-UHFFFAOYSA-N 383.448 2.665 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1ccccc1 409390958 YZJMZIBMFBPZMF-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C(C)C)no2)c1C 9314119 LBNMYFLBYPZUBB-UHFFFAOYSA-N 377.397 2.715 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(c1)NC(=O)CC3)CC2 96221891 DJXNNQRUJUNRDL-UHFFFAOYSA-N 396.443 2.552 0 40 GFAB biogenic COc1ccccc1CN1CN=C(Nc2nc(C)c3cccc(OC)c3n2)NC1 20634198 JIINKJICNRQPDP-UHFFFAOYSA-N 392.463 2.744 0 40 GFAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc2cccnc12 9865049 QPYJCPBZJOKFGF-GOSISDBHSA-N 381.457 2.560 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C2=O 84207870 XUMGEKJXOYCOIR-IFXJQAMLSA-N 397.450 2.538 0 40 GFAB C[C@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 97102677 DRAJZGYLUVQRGO-KSSFIOAISA-N 384.480 2.671 0 40 GFAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1nc(-c2cccnc2)cs1 72405955 HHXBIZBZQRKYEV-UHFFFAOYSA-N 393.428 2.568 0 40 GFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 95976283 RPVSHQQJJCGEAL-KXBFYZLASA-N 394.475 2.761 0 40 GFAB O=C(Nc1nncs1)c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)nc1 95975513 FINKISMPWLPDKZ-CABCVRRESA-N 385.424 2.637 0 40 GFAB CN1CC[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@@H]1c1ccc(F)c(F)c1 89375109 CXFIBYZPQSXPIB-MOPGFXCFSA-N 383.402 2.721 0 40 GFAB CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 409193568 GSUSYGNMXYYYBG-PDGQHHTCSA-N 380.400 2.721 0 40 GFAB CO/C(C)=C(\C1=C([N+](=O)[O-])Nc2ccccc2[C@H](C(=O)O)N1)c1cccnc1 20477571 WLLXOMOUCICIPO-UVQBRAAOSA-N 382.376 2.746 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccccc1 408700639 JIFXSMRLHVFZSF-OAHLLOKOSA-N 388.489 2.971 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(C)=O)cc2C1=O 24024883 KCZBFBDCTQZXLV-UHFFFAOYSA-N 380.400 2.774 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 408610023 UJBBCSHDGDDFHE-NSHDSACASA-N 384.404 2.669 0 40 GFAB CC1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1 67870772 QVLFUYHVWOSPCW-YSIASYRMSA-N 399.535 2.587 0 40 GFAB biogenic,in-vitro Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccccc4F)C[C@H]2S3(=O)=O)cn1 306140341 UQPCRQREYGJSNH-GHTZIAJQSA-N 397.475 2.982 0 40 GFAB O=C(CCc1ccccc1)NC1CCN(C(=O)COc2ccc(F)cc2)CC1 32924916 AULQVLXPBANNBO-UHFFFAOYSA-N 384.451 2.945 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](Cc2cc(Nc3ncc(C)s3)nc(C)n2)C1 72383462 HEHNTCWLIMFOEO-CQSZACIVSA-N 395.554 2.898 0 40 GFAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)[C@H]1C(=O)O 71285446 NDZPIEBSUCWQQH-SJORKVTESA-N 379.416 2.580 0 40 GFAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 31294715 JINRFYKIHXMQCH-YVEFUNNKSA-N 394.805 2.821 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(C(=O)OC)c2C)cc1 44883250 YFCBBBHCCGHYBR-UHFFFAOYSA-N 377.418 2.510 0 40 GFAB CC(=O)c1ccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1 72401358 WMVVVMCTBGXKPD-UHFFFAOYSA-N 384.432 2.846 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222485145 TXQNMUOQBMATQE-QGZVFWFLSA-N 396.487 2.862 0 40 GFAB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220635459 AVIUHLAIGQRKPB-IBGZPJMESA-N 390.505 2.898 0 40 GFAB Cc1c(C(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)cnn1-c1ccccc1 225568926 RJUQRGHECXQIPU-UHFFFAOYSA-N 390.491 2.754 0 40 GFAB COc1cccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 224457415 GYCRTYMVTTYVDG-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224645914 WCCCSYMJKHFOPR-UHFFFAOYSA-N 393.461 2.689 0 40 GFAB COc1ccc([C@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 136119261 VVSVAJQQYLURHZ-SLFFLAALSA-N 396.443 2.959 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc2sncc2c1)Cc1ccccc1 226034710 NFELNZSQYBWXLY-UHFFFAOYSA-N 375.475 2.697 0 40 GFAB Cc1ccc(CN(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 223029721 YQDQCWZGCNPNBF-SFHVURJKSA-N 388.533 2.894 0 40 GFAB COCCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cn1 225920251 RXPKFQANXNWOAD-UHFFFAOYSA-N 390.411 2.936 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)c1 245377187 IOSGVIBONFEHJT-WEFJBSGNSA-N 377.396 2.663 0 40 GFAB CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(Cl)cc2)CC1 585122755 RQBKRZAKIQTOIR-UHFFFAOYSA-N 396.882 2.710 0 40 GFAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 257314479 UXEKDCYIGOFXFI-ZDUSSCGKSA-N 381.465 2.713 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccco3)C2)cc1 260888459 AUCYFAOSQFDFIC-KRWDZBQOSA-N 390.505 2.738 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 371246893 IHZLZXAEVBFNKK-JTQLQIEISA-N 388.777 2.751 0 40 GFAB O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCc2c(F)cc(Br)cc2C1 662658024 YXVZHVQEULUZQA-JTQLQIEISA-N 393.260 2.587 0 40 GFAB C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC1CC1 612809268 ONKHISIYXSGEQK-BEFAXECRSA-N 393.557 2.625 0 40 GFAB CNC(=O)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 648758945 NHAJPASXWPHULH-INIZCTEOSA-N 390.846 2.504 0 40 GFAB O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 96099429 GNLSDCRXZARJHT-UHFFFAOYSA-N 399.921 2.967 0 40 GFAB O=S(=O)(c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccs1 96099592 DKIHERINWNCIKT-MZBDJJRSSA-N 397.543 2.906 0 40 GFAB O=S(=O)(NCC[C@H](CCO)c1ccsc1)c1ccc(-n2cccn2)cc1 575620474 KKKXJKIJDCHVCJ-OAHLLOKOSA-N 391.518 2.768 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(OCc3ccccc3)c1)CS2 46851847 KYNZRGMNEBKCCM-LAUBAEHRSA-N 397.500 2.731 0 40 GFAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5466556 XMGYVMASLPMNSZ-UHFFFAOYSA-N 394.443 2.682 0 40 GFAB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCSC)C(=O)O 5706601 HHQRCSLQNBJJBX-JKSUJKDBSA-N 396.509 2.794 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1 12774311 BMYSCYQBMRMHRD-QGZVFWFLSA-N 399.466 2.684 0 40 GFAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 16789083 BDGNGBCOPKXKAV-UHFFFAOYSA-N 390.509 2.551 0 40 GFAB CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1 19533022 XHUNEXGBMCXAIZ-GOSISDBHSA-N 394.519 2.812 0 40 GFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCCN4C(C)=O)nc32)cc1 19740237 LZKUQAQZQHBTBP-IBGZPJMESA-N 394.475 2.956 0 40 GFAB COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1Br 19909356 OLVGMUYCDNYDIT-UHFFFAOYSA-N 395.278 2.909 0 40 GFAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCCCCC1 4304310 ZCONXRPYCZDBRN-UHFFFAOYSA-N 382.460 2.984 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)[C@@H]1COc2ccccc2C1 575614984 BBHJXJWIZIFQRG-KRWDZBQOSA-N 392.503 2.692 0 40 GFAB Cc1ncccc1C(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037985192 AFWZKVPVABMUIG-UHFFFAOYSA-N 378.476 2.539 0 40 GFAB Cc1nn(C)cc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037989042 SNUOUWBGUCDSOU-PZJWPPBQSA-N 396.535 2.841 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@]2(CCCN(CC3CC3)C2)C1 2056224862 ZYERBOSALIPYPU-OAQYLSRUSA-N 390.549 2.898 0 40 GFAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1 2056225587 SHQVFQHFSXXKLM-MOPGFXCFSA-N 384.524 2.777 0 40 GFAB CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)c1cccc(Cl)n1)CCC2 1565555054 PJAHHBKDRCCHKA-UHFFFAOYSA-N 389.887 2.754 0 40 GFAB O=C(NC[C@@]1(O)CCCc2occc21)C(=O)Nc1ccccc1C(F)(F)F 1565523165 HTLMREYBWOPECV-KRWDZBQOSA-N 382.338 2.577 0 40 GFAB COc1ccc(C(=O)Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)cc1 5056797 QJZIODMLYNWKCK-UHFFFAOYSA-N 395.806 2.522 0 40 GFAB O=C(NCc1ccc(Cl)cc1)c1nc(Cn2cc(Br)cn2)no1 15082478 TUVCBJROGTXACM-UHFFFAOYSA-N 396.632 2.660 0 40 GFAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1cc(Cl)ccc1Cl 211094956 LKQLMVPHFXHPJN-UHFFFAOYSA-N 387.292 2.862 0 40 GFAB Cc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nccn2c1=O 49008150 BZJIUBJMJLDNAU-UHFFFAOYSA-N 375.388 2.630 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCCn3cc(-c4ccco4)cn3)CC2=O)cc1C 575615091 MHBSBNAYUHJXMK-KRWDZBQOSA-N 392.459 2.929 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1ccsc1)n1cccn1 575613323 FPFZSALVVLVLMQ-QGZVFWFLSA-N 389.502 2.514 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)NCCOc2ccc(C)cc2)CC1=O 25679110 JLPRAFQSIJWTFX-QGZVFWFLSA-N 382.460 2.942 0 40 GFAB Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCOCC2)o1 40018106 PZQKWJHUBFDSQZ-INIZCTEOSA-N 378.856 2.810 0 40 GFAB CN1C(=O)c2ccc(C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cc2C1=O 40023515 LZLPOMJOCRJLKX-UHFFFAOYSA-N 386.411 2.839 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1c2c(nn1-c1ccccc1)CCC2 40023511 JFVMTKFFNSMTNQ-UHFFFAOYSA-N 385.427 2.779 0 40 GFAB CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)[C@H](O)c1ccccc1 40120865 PASMLQNVVWHOBQ-GHTZIAJQSA-N 397.523 2.715 0 40 GFAB CCOc1cc(/C=C/c2nc3c(cnn3C)c(=O)[nH]2)cc(Br)c1O 40154951 MEXLJIMHRFUTEJ-SNAWJCMRSA-N 391.225 2.694 0 40 GFAB COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl 30768751 BAHJUSYAYIMBBM-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(C)cc1 24493115 VUBZDSOIRBRQSW-LJQANCHMSA-N 380.444 2.938 0 40 GFAB CSc1ncc(Cl)c(C(=O)NCc2nc(-c3ccc(F)cc3)no2)n1 61997294 MSAICWNFJLTXDJ-UHFFFAOYSA-N 379.804 2.971 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)cc1 802436 SQKILWYRKCXWEC-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cn(CC)c3ccccc23)CC1 25062768 QODNGXHVHYXENO-UHFFFAOYSA-N 386.448 2.620 0 40 GFAB CC[C@@H](C)NC(=O)CSc1nnc(SCC(=O)N[C@H](C)CC)s1 3575648 SSQWPHKSDSYBND-NXEZZACHSA-N 376.573 2.552 0 40 GFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(Cl)ccc2Cl)CC1 3228355 VVMZLUAJQFWZAT-UHFFFAOYSA-N 388.247 2.952 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 4776373 AHJXUORPBKTCRJ-TYNCELHUSA-N 387.465 2.558 0 40 GFAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 6941409 VUDNFTBNVHXNDK-SMDDNHRTSA-N 375.450 2.537 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@H]1CCCC[C@H]1C 7431088 HNXODKMWKDVLFE-CPUCHLNUSA-N 397.475 2.583 0 40 GFAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nnn(C)n3)o2)cc1Cl 57316539 HVDVDZNGVHXDRL-UHFFFAOYSA-N 376.829 2.559 0 40 GFAB CN(C)Cc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 108771694 KLEJQOOHMYOXPH-OAQYLSRUSA-N 379.504 2.917 0 40 GFAB CCc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O 102955626 DLUJLCBEMVKWMB-UHFFFAOYSA-N 378.409 2.654 0 40 GFAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cccc3ccccc23)CC1 27365923 ILQSQZZAWNBJSJ-INIZCTEOSA-N 391.523 2.552 0 40 GFAB CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 8476191 MPFYSAGNHOPYSG-CQSZACIVSA-N 376.478 2.702 0 40 GFAB COc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3OC)n2)cc1F 27537971 ISISPLBFJOOWSY-UHFFFAOYSA-N 398.442 2.986 0 40 GFAB CCNC(=O)COc1ccc(CNC(=O)N2CCC[C@@H]2C(C)C)cc1OC 58214095 TVKUFVWFRWFVBN-MRXNPFEDSA-N 377.485 2.540 0 40 GFAB Cc1nc(CSc2ccc(C(=O)NCCN3CCOCC3)cc2)cs1 27773771 IEPCBHWDFMACMF-UHFFFAOYSA-N 377.535 2.806 0 40 GFAB CCOC(=O)N1CCC(NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 9363924 ZIOIGVMFBSKNLH-GOSISDBHSA-N 378.513 2.934 0 40 GFAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 3329979 HPASHMAKSUPJQU-QFIPXVFZSA-N 385.508 2.607 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)o1 3364760 VWTVNGDKNBDNBF-SECBINFHSA-N 384.845 2.628 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 20047488 NUMAIZFMVZIBJA-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 22326990 VLVANDWJXCUNKS-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 3342266 WWBCZAGOHQSBJE-UHFFFAOYSA-N 392.411 2.911 0 40 GFAB C[C@H](OC(=O)c1ccco1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12769566 PDBYDKFGSDNRRE-VIFPVBQESA-N 382.294 2.829 0 40 GFAB CC(=O)[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N(C)C 59499302 XDRUWACXQNQFIW-KRWDZBQOSA-N 381.457 2.524 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(CNC(N)=O)cc2)c1 12765701 WUWYQWPJIZDKAX-GOSISDBHSA-N 383.448 2.849 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 12745827 RIGJXBCLHFXTRO-AWEZNQCLSA-N 384.307 2.526 0 40 GFAB Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1F 3456570 IORSRXQRIJBBBF-UHFFFAOYSA-N 383.452 2.870 0 40 GFAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nnc2-c2cccnc2)c(C)c1 3430149 ZVHSPNWTTYDERR-ZDUSSCGKSA-N 396.476 2.622 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl 3409261 YJJMHVIQNNLFII-VXGBXAGGSA-N 387.885 2.690 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)cc1 13096067 YPDHFJMCAABLFN-CYBMUJFWSA-N 380.441 2.700 0 40 GFAB CC(C)CCNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 5026451 HBNSUEAJEZXOJL-UHFFFAOYSA-N 389.887 2.593 0 40 GFAB NC(=O)Cn1cnc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O 13735842 VTWOVTXBQPIEQE-UHFFFAOYSA-N 376.441 2.647 0 40 GFAB COCc1nnc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)s1 21524813 ABYSRKYJFMKQLB-UHFFFAOYSA-N 379.829 2.959 0 40 GFAB NC(=O)c1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 6271647 OINBFEUJLFVDDK-UHFFFAOYSA-N 398.422 2.796 0 40 GFAB O=C(NCc1ccncc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 6347003 RHRZJRCRKIPIAA-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 4554442 CAFAVYCIEDPLRS-UHFFFAOYSA-N 394.468 2.898 0 40 GFAB C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 6507626 UMPPTIMSIRJCHR-LBPRGKRZSA-N 389.502 2.754 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)ccc1O 6589396 BKAZLGSQEXDPAT-UHFFFAOYSA-N 390.823 2.918 0 40 GFAB O=C(Cc1c(F)cccc1Cl)OCC(=O)N1CCN(c2ccccc2)CC1 5689842 GJCSTOQBNCVRTE-UHFFFAOYSA-N 390.842 2.914 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccsc1 7150400 RNBUTCLDZRWOAX-UHFFFAOYSA-N 387.505 2.614 0 40 GFAB CCSc1nnc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)s1 7667458 LFWFIOGBCYZFPF-UHFFFAOYSA-N 398.535 2.615 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022243 DMDCLRFIYHUMCD-KZDUYQQSSA-N 389.883 2.517 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2ccc(OC(F)F)c(OC)c2)cc1 7703866 ZEZRBFRBCDVQDF-UHFFFAOYSA-N 387.404 2.826 0 40 GFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cn2cc(Cl)ccc2n1 7738455 JWVMBCDOAGEKQT-LJQANCHMSA-N 382.807 2.718 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C)cc1 8075473 ANUUZBBDYRQNJE-UHFFFAOYSA-N 396.472 2.928 0 40 GFAB CN(CC(N)=O)C(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 83857443 NIUBIUMSNYPFJP-UHFFFAOYSA-N 380.231 2.543 0 40 GFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCCCCC1)S(C)(=O)=O 9699584 YGQPAYIBHLFICQ-CYBMUJFWSA-N 388.917 2.906 0 40 GFAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nnnn2C)cc1 8508076 MDVFITSAPPOTGB-UHFFFAOYSA-N 375.479 2.606 0 40 GFAB COC(=O)C[C@H](NC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1 8884331 LULYIBROWCMMLK-KRWDZBQOSA-N 385.416 2.697 0 40 GFAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2cccs2)cc1 9836846 ONULTIHGTABBMR-LBPRGKRZSA-N 389.506 2.761 0 40 GFAB O=C(NCCOc1ccc2c(c1)OCO2)[C@H]1CCCN1Cc1ccc(F)cc1 72310072 DXCHWYXEPXHUQX-GOSISDBHSA-N 386.423 2.714 0 40 GFAB CS(=O)(=O)c1cc(NC(=O)Cc2ccccc2OC(F)F)cc(C(=O)O)c1 95425595 KSDQNXOBMWPQIL-UHFFFAOYSA-N 399.371 2.571 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCc2ccccc2[C@H]1CO 95461659 IHUJTTFHZSMRHQ-CQSZACIVSA-N 387.379 2.866 0 40 GFAB O=C(O)C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 95989461 ANRCGNRENGMCOC-CYBMUJFWSA-N 378.226 2.618 0 40 GFAB CCOc1c(F)cccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 89988781 AIYFLKYYPSLETA-GJZGRUSLSA-N 382.432 2.589 0 40 GFAB O=C1N/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(Cl)cc1 409020898 VJNBEKQREQIEKP-WJDWOHSUSA-N 387.823 2.863 0 40 GFAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)NC2(CCCC2)C1=O 23077702 SUQMUWWWPKETSA-UHFFFAOYSA-N 384.263 2.816 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)NCc2cccs2)cc1 20792380 DPGQFKPZELDNSV-UHFFFAOYSA-N 388.489 2.635 0 40 GFAB C[C@H](c1nc(-c2ccc(S(N)(=O)=O)cc2)no1)N1CCc2ccccc2C1 510737027 RROAAFRHQDPPDK-CYBMUJFWSA-N 384.461 2.503 0 40 GFAB C[C@@H](c1nc(-c2ccc(S(N)(=O)=O)cc2)no1)N1CCc2ccccc2C1 510737031 RROAAFRHQDPPDK-ZDUSSCGKSA-N 384.461 2.503 0 40 GFAB CC(C)c1cc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)[nH]n1 72326873 ONCMHJIGEIUFOD-CGSMKXTHSA-N 379.464 2.567 0 40 GFAB COc1ccc(Cc2nn3c(-c4c(Cl)cnn4C)nnc3s2)cc1OC 72403144 FVVMLUBBKNCQFX-UHFFFAOYSA-N 390.856 2.848 0 40 GFAB CCNc1nc2c(s1)[C@H](c1cc(OC)c3c(c1OC)OCO3)CC(=O)N2 35324904 PUZMBMXMAIJLSQ-VIFPVBQESA-N 377.422 2.795 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1N1CCCC1=O 30852198 PISWNDKUWFHYRN-UHFFFAOYSA-N 388.445 2.694 0 40 GFAB CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 30361218 YVEMGBXLZGUIFG-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB CC(C)[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1 39983307 TYHZLUXYKBNOOH-QGZVFWFLSA-N 375.444 2.894 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)sc1C 79481114 RGZBCXMRKUGLTD-UHFFFAOYSA-N 386.433 2.900 0 40 GFAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 220441999 MHIUUCBRVIQCHF-QWHCGFSZSA-N 382.432 2.997 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 224571736 YPDBJWJOEICICK-KRWDZBQOSA-N 384.476 2.611 0 40 GFAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 47080998 WBCHZMMXUVKCQQ-NSHDSACASA-N 379.309 2.920 0 40 GFAB Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)[C@@H](C)C2 41085459 KEBROIDDIGRKSR-NSHDSACASA-N 380.495 2.581 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 222536437 ZUCMZJRUMUZNHC-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB COc1cccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 225163107 PLLIBEFNSISOGT-MRXNPFEDSA-N 383.853 2.665 0 40 GFAB Cc1ccc(CCNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1 97943955 XERPZWXAFQVGRH-LJQANCHMSA-N 380.423 2.970 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc12 96242110 VHDZQFHBRWRQGH-QGZVFWFLSA-N 390.549 2.870 0 40 GFAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)c2cc(C)n(C)n2)cc1 96296827 MUURONUGGNTPNH-LLVKDONJSA-N 384.392 2.581 0 40 GFAB biogenic,in-vitro COc1ccc(-c2nn([C@H](C)C(=O)NCc3ccccc3)c(=O)cc2OC)cc1 96101081 JMDQWYRUXBJJDD-OAHLLOKOSA-N 393.443 2.805 0 40 GFAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@@H]2N 238855616 SGHUIAHMXYQPIE-KNCDZKKRSA-N 389.496 2.886 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1ccccc1F 257293248 QORXORYRPRBUQZ-UZLBHIALSA-N 384.455 2.749 0 40 GFAB Cc1nccc(N2CCC(c3c(C(=O)N(C)C)sc4nccnc34)CC2)n1 257236887 HEFFYYOGYVGMKQ-UHFFFAOYSA-N 382.493 2.876 0 40 GFAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3cccnc3N)CC2)nn1C 257280083 OJJHOEJVNKAEOP-WKILWMFISA-N 384.528 2.505 0 40 GFAB CCn1c(CCC(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)nc2ccccc21 257296004 RAURNYQWVOXRIG-SFGWALBWSA-N 395.507 2.765 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCn2c(C)nc3ccccc32)[C@H]1O 257228463 FTYWUBUNZZITDC-KCZVDYSFSA-N 395.507 2.853 0 40 GFAB O=C(NCc1cccc(OC2CC2)c1F)N[C@H]1CCCN(c2ncccn2)C1 660427756 YKNXREBOLZPBEM-HNNXBMFYSA-N 385.443 2.625 0 40 GFAB Cn1cc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c(-c2ccco2)n1 666005551 ULMVJDKGTVQMPA-UHFFFAOYSA-N 378.432 2.668 0 40 GFAB Fc1cccc(F)c1-n1ccc(Cn2cnc3c2CCNC32CCOCC2)n1 1615592485 XXZJQHISNQCTGD-UHFFFAOYSA-N 385.418 2.547 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@H](OC)c2cccc(OC)c2)cc1F 96390328 YHRVRLKWPBZLEN-SFHVURJKSA-N 383.441 2.899 0 40 GFAB CCN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1 585102841 KJCAXJARKBMABX-SIKLNZKXSA-N 398.482 2.617 0 40 GFAB CN(C)c1ccc(CC(=O)N2CCC3(CC2)CO[C@@H](CN2CCCC2)C3)cc1 585105421 WIVBUKDCQVDEHR-OAQYLSRUSA-N 385.552 2.789 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 585183583 DSXRDKBCZOKSDD-JOCHJYFZSA-N 393.531 2.860 0 40 GFAB Cc1ncnc(OCC2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)c1C 1775995048 RGYVOLLMSAZQAR-LJQANCHMSA-N 381.476 2.962 0 40 GFAB COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 5202360 DPOVAJCRYIUTBD-HNNXBMFYSA-N 385.416 2.569 0 40 GFAB biogenic,in-vitro CC(=O)[C@H]1C[C@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C1(C)C 12186054 UNNVXXLUQLPZLR-NVXWUHKLSA-N 384.476 2.769 0 40 GFAB CC(C)C[C@H](NC(N)=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 12906379 XPTYEVYYBRYXKA-INIZCTEOSA-N 384.484 2.693 0 40 GFAB CCN(c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1)S(C)(=O)=O 13683348 BPAARHYBSVGFAZ-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)c1 15471066 NYOHDSIVHRBMKK-QGZVFWFLSA-N 399.472 2.595 0 40 GFAB CC(C)C(=O)N1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 16391206 LJFSFZXSRHJIGQ-UHFFFAOYSA-N 383.286 2.521 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)cc(C)c2)cc1 16691841 WSNQNRFTUZOLIQ-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CCOCCCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 17401588 XEFBJVDCKNOHQI-UHFFFAOYSA-N 383.370 2.716 0 40 GFAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)(C)C)[nH]n1)C2 19083668 DVDZWQGSJBLRBH-QGZVFWFLSA-N 382.512 2.853 0 40 GFAB COc1ccc(C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c(OC)c1 19551962 VKFYIGYLOJAWQR-GOSISDBHSA-N 382.464 2.507 0 40 GFAB COc1ccc2c(c1)c(CN1CCCC[C@H]1CN1CCCCC1)cn2CC(N)=O 19563247 MRTXRBLBJOWZIM-IBGZPJMESA-N 398.551 2.976 0 40 GFAB CCn1cncc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19578399 KFRNNJIRRYXLRD-CYBMUJFWSA-N 383.477 2.735 0 40 GFAB COc1cc(C)ccc1CN1CCO[C@H](c2ncncc2-c2noc(C)n2)C1 19693777 QGXXFJSADFIYBI-SFHVURJKSA-N 381.436 2.726 0 40 GFAB O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1C[C@@H](O)COc1ccccc1F 8985126 GJSKJGMUEBQLHI-OPAMFIHVSA-N 398.434 2.739 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1OC 7050254 JMXXAKNVHGREHF-CQSZACIVSA-N 387.461 2.929 0 40 GFAB CCN1C[C@H](c2cc(N)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 1848355134 PIYAOJQQUYYIAF-LLVKDONJSA-N 398.854 2.553 0 40 GFAB CCN(Cc1ccccc1)C(=O)CSc1nnnn1Cc1ccc(OC)cc1 21732146 NMTIUJSLRJZNNK-UHFFFAOYSA-N 397.504 2.871 0 40 GFAB C[C@@H](CNC(=O)[C@@H](C)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 24669966 MFAOHWGSGKMREO-DLBZAZTESA-N 385.533 2.814 0 40 GFAB Cc1csc(C(=O)N2CCC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 1614930107 WYCALDRVTYLRCZ-IBGZPJMESA-N 384.461 2.841 0 40 GFAB NC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 10219127 XOOXHOFJFPQTGI-UHFFFAOYSA-N 386.882 2.693 0 40 GFAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCOCC1 22765702 HGNDXBQGQUNAHR-KRWDZBQOSA-N 380.897 2.970 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)c1 22765674 FAPVEYGHRLWEKY-GOSISDBHSA-N 376.478 2.569 0 40 GFAB O=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)Nc1ccc(F)cc1F 585147781 CRDNXBQAEVYKOY-UHFFFAOYSA-N 379.388 2.637 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)N2CCC(CCc3ccccc3)CC2)C1=O 22131256 LRXGYJVZPHHLTE-UHFFFAOYSA-N 385.508 2.968 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCC[C@@H](CCO)c2cccs2)c1 575607741 OIDPNDXONWMVNK-ZDUSSCGKSA-N 385.507 2.600 0 40 GFAB COc1ccc(CC(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1OC 575613153 PTQIJFSEOAXAKE-QHCPKHFHSA-N 399.487 2.677 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148167 QHWXFNGLTDYWPM-BEFAXECRSA-N 378.428 2.974 0 40 GFAB Cc1cccc(C(=O)N[C@@H]2C[C@@H](c3nc(-c4cccnc4)nn3C)CC[C@H]2O)c1 2332241721 XKIGUKMSCIEQHG-KFKAGJAMSA-N 391.475 2.613 0 40 GFAB c1ccc2c(N3CCN(C[C@H]4CCCO4)CC3)nc(-c3ccncc3)nc2c1 40040263 VQTLPVMXVGFPTM-GOSISDBHSA-N 375.476 2.993 0 40 GFAB CCOc1ccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1OCC 40012253 RICVGGBDXGVHSY-CRAIPNDOSA-N 383.510 2.732 0 40 GFAB C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)n1cncn1 40108146 IZCMHOMXHMKEHM-YJBOKZPZSA-N 381.505 2.816 0 40 GFAB C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 31664827 QATJGGSECKRIFO-LBPRGKRZSA-N 394.415 2.767 0 40 GFAB O=C(OCC(=O)N1CCCCC1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 20856159 YLQZRTDVCBSLMV-OALUTQOASA-N 398.503 2.938 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c(OC)c1 21576060 IAYXQLOPHOXBER-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 32988002 JHUTUYQWVVQLBR-UHFFFAOYSA-N 386.429 2.965 0 40 GFAB C[C@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(S(C)(=O)=O)cc1 33161826 RAYXXHGHXAIGAG-KPZWWZAWSA-N 390.436 2.600 0 40 GFAB CCOC(=O)N1CCC(NCc2cc(Br)c3c(c2)OCO3)CC1 47949159 BNDABWHZJODSTB-UHFFFAOYSA-N 385.258 2.888 0 40 GFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 942419 FXRXEXAMJYGCPL-UHFFFAOYSA-N 386.408 2.977 0 40 GFAB COc1ccc(-n2c(COc3cccc(C)c3)nnc2SCC(N)=O)cc1 1221479 XSUFVAAMJWCDSG-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB C[C@H]1C(=O)[C@]23[C@H]4C[C@H]5C(C)(C)CC[C@@H](O)[C@@]5(C)[C@H]2[C@@H](O)C[C@H]1[C@H]3OC(C)(C)O4 4268165 MDODVBXGWQIKBY-YVETZSRFSA-N 392.536 2.916 0 40 GFAB CC(C)(C)NC(=O)CN(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1 4861360 HPYDBPZVWPQLBJ-UHFFFAOYSA-N 391.468 2.565 0 40 GFAB COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc1OCc1ccccc1 6289799 KRTOQMHEGGOTSF-APWZRJJASA-N 379.416 2.686 0 40 GFAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2-c2nc(C3CC3)n[nH]2)c1 26541386 QDYGADOZCWKCAF-UHFFFAOYSA-N 390.446 2.910 0 40 GFAB COc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1 57486047 RPXZVDJTXCHHDO-UHFFFAOYSA-N 387.461 2.528 0 40 GFAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(CN2C(=O)CNC2=O)cc1 12622255 MITHBJWQLMRRSW-INIZCTEOSA-N 399.447 2.844 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 7940181 LHOKZPZAFYQUAX-HNNXBMFYSA-N 388.464 2.748 0 40 GFAB COc1cc(C(=O)N[C@H](C)c2ccccc2F)cc(Cl)c1OCC(N)=O 26680962 VPIRJWYHUKGVBB-SNVBAGLBSA-N 380.803 2.843 0 40 GFAB CC(=O)Nc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1 57522308 QSHLIDOBFZGZDJ-UHFFFAOYSA-N 394.406 2.955 0 40 GFAB O=C(Nc1ccccc1O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58186432 PQKUESBHJQEDNG-HZPDHXFCSA-N 377.400 2.605 0 40 GFAB Cc1cc(N2CCN(C(=O)c3ccc([S@@](C)=O)cc3)CC2)nc(C(C)C)n1 10258058 CIFNDKYEQNQVJY-MHZLTWQESA-N 386.521 2.608 0 40 GFAB CCCCNc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)s1 9174822 POKGYLXISXJZPM-UHFFFAOYSA-N 397.501 2.736 0 40 GFAB Cc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn3c2=O)cc1 10312519 QYFFAAMHSPUOCO-UHFFFAOYSA-N 378.413 2.960 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CCCCC1 58431372 ILKDMFJAXJTZOT-KRWDZBQOSA-N 395.544 2.537 0 40 GFAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)NCc1cccs1 100433679 OJSOFFOTPZWNIC-HOTGVXAUSA-N 377.554 2.912 0 40 GFAB CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O 20673239 WTRKJWIIUIGBNM-UHFFFAOYSA-N 381.436 2.878 0 40 GFAB Cc1nc(C2(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CCCCC2)no1 29058994 PUSBKOUCVALCAU-AWEZNQCLSA-N 386.427 2.846 0 40 GFAB C[C@H](Sc1nnnn1Cc1ccco1)C(=O)N[C@@H](C)c1ccc(F)cc1 11678167 CSMLFDRVJFFEKE-RYUDHWBXSA-N 375.429 2.812 0 40 GFAB O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccccc1Cl 101274322 GLYJPJKYSKULEA-GOSISDBHSA-N 387.842 2.933 0 40 GFAB O=C(CSc1cc(Cl)ccc1Cl)NCCN1C(=O)CSC1=O 2623877 TYQBLOZZKBRERB-UHFFFAOYSA-N 379.290 2.897 0 40 GFAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)NCc3ccco3)n2)n1 3317679 VHLMAGSJCVGJCK-UHFFFAOYSA-N 388.811 2.604 0 40 GFAB CCOc1cc(C(=O)OCC(=O)Nc2cc(C)on2)cc(OCC)c1OCC 3362002 JEQAKOIFFLENJQ-UHFFFAOYSA-N 392.408 2.975 0 40 GFAB O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)c2ccco2)CC1 12789807 GBNFYXKHRUKHJQ-GQCTYLIASA-N 379.210 2.633 0 40 GFAB COc1ccc(OC)c(NC(=O)CCn2nc(-c3cccs3)oc2=O)c1 12791120 GEBVMKFSZXCRKL-UHFFFAOYSA-N 375.406 2.611 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1ccc2c(c1)OCO2 12732334 KLIYXEHRKCDPML-VQHVLOKHSA-N 380.444 2.924 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 12793148 LQQJNYCOZODCEI-UHFFFAOYSA-N 382.395 2.731 0 40 GFAB O=C(CN1CCC(NC(=O)[C@H]2Cc3ccccc3S2)CC1)Nc1ccccc1 12772524 GYOFXZRFICKFHP-HXUWFJFHSA-N 395.528 2.923 0 40 GFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1Cl 12768796 AEIAFQAOXFOVFP-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48291120 YNURXBPPRMPORX-SFHVURJKSA-N 381.480 2.621 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)C1 48355564 IIQJQXAGHGWZPW-TWFHAPMSSA-N 385.552 2.943 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1Cl 12993454 JZJQGQIOVJCZAQ-KRWDZBQOSA-N 380.897 2.959 0 40 GFAB CCC[C@@H](C)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3572861 OHGWALCVYVTIFA-MRXNPFEDSA-N 379.460 2.787 0 40 GFAB COC(=O)Cn1c(SCc2cn3ccccc3n2)nc2ccccc2c1=O 5165942 WGYFGUKAPYVSMR-UHFFFAOYSA-N 380.429 2.510 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)OCc1c(F)c(F)c(F)c(F)c1F 6354460 HQLCKTIYJSISCS-UHFFFAOYSA-N 385.244 2.722 0 40 GFAB CNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 4590959 PTCAFRGGCPOLSW-UHFFFAOYSA-N 387.288 2.930 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2cccc[n+]2[O-])sc2c1CCC2 6561819 LBSFFDYTCJIQNA-UHFFFAOYSA-N 378.475 2.778 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](O)c3ccccc3)c(Cl)cc12 6659634 ZAUZVRJPAZOMQE-MRXNPFEDSA-N 387.819 2.983 0 40 GFAB CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(C2CCOCC2)C3)c1C 71890362 MYZSEWOTIACDRJ-OAHLLOKOSA-N 397.523 2.641 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6811038 MMQDFXHKKLQBRT-QGZVFWFLSA-N 391.464 2.729 0 40 GFAB O=c1c2ccc(F)cc2ncn1C[C@@H](O)COc1ccc(Br)cc1 9690511 DUDJIFNCODZSPD-CYBMUJFWSA-N 393.212 2.738 0 40 GFAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NC(C)(C)C)nc23)c(C)c1 67255680 UVCNQWWXZXTVCQ-UHFFFAOYSA-N 385.493 2.574 0 40 GFAB CCc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccccc3)CCC2=O)cc1 67336667 PDAMSSRZZCRGGK-UHFFFAOYSA-N 378.432 2.805 0 40 GFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)C(Cl)(Cl)Cl)c1 7389224 KQDAHDXZUJIGOQ-UHFFFAOYSA-N 381.643 2.619 0 40 GFAB Nc1nonc1C(=O)NCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7524739 RGFOOHUYSKAMJH-UHFFFAOYSA-N 396.234 2.738 0 40 GFAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 7709216 DHURKUYPVJDLEY-UHFFFAOYSA-N 390.461 2.976 0 40 GFAB O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccnn1C1CCCC1 8039552 KIJUJQMGNOGMOZ-UHFFFAOYSA-N 387.444 2.844 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)COc1ccc2ccccc2c1 9898521 QCTXQMXTFPNJOZ-UHFFFAOYSA-N 398.484 2.785 0 40 GFAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N(C)C 8429000 OJQZDNHPBYKKGM-OLZOCXBDSA-N 396.488 2.772 0 40 GFAB C[C@@H]1c2cccn2CCN1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 69950777 LXQDXXRHDZTTLQ-MRXNPFEDSA-N 377.448 2.930 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 25218272 WPMPWKOITJPOQI-OAHLLOKOSA-N 390.505 2.756 0 40 GFAB O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCCCCC1 9043790 JAIMQQNJQIABKG-UHFFFAOYSA-N 383.492 2.899 0 40 GFAB O=C(NCc1ccccc1)N1CCC2(CC1)c1ncccc1C(=O)N2CCF 306142804 XKJKHKYSJOSMQQ-UHFFFAOYSA-N 382.439 2.708 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 20458157 ATVSOBRVEPDXHY-GOSISDBHSA-N 376.478 2.729 0 40 GFAB C[C@@H]([C@@H](O)c1ccccc1)N(C)CC(=O)Nc1ccc(Br)cn1 66087824 XVWDEHLVPDHPLZ-YVEFUNNKSA-N 378.270 2.837 0 40 GFAB Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@H](C3CCCCC3)C2)c1 1561784697 DSLKRFUXIGRWNN-KRWDZBQOSA-N 389.525 2.858 0 40 GFAB CN1C[C@@H]2[C@@H](CCCN2C(=O)NCc2ccncc2OCCC(C)(C)C)C1=O 513625862 TYPRJZQCASSAFJ-IAGOWNOFSA-N 388.512 2.659 0 40 GFAB O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)c1csc([C@@H]2CCCO2)n1 535880921 XFJIQRDHUCMNGO-LBPRGKRZSA-N 391.415 2.668 0 40 GFAB COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N4CCCC4)o3)n2)c1 36359053 PQDLXMOOVOOTKH-UHFFFAOYSA-N 375.406 2.790 0 40 GFAB O=C(CN1CCC(c2ccc(Nc3cnccn3)cn2)CC1)N1CCCCC1 72374166 HPUNWGJPXJIRGN-UHFFFAOYSA-N 380.496 2.807 0 40 GFAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCN(c3ccccc3F)CC2)C1=O 36633962 JUNWWAYYCNUVMY-LJQANCHMSA-N 381.451 2.897 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 71329010 YXRAVEAJFXDDQO-GOSISDBHSA-N 394.475 2.914 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3cncc(-n4ccnc4C)n3)C2)cc1 72355317 PPVMOGQYCORUNR-GOSISDBHSA-N 391.475 2.928 0 40 GFAB Cc1cc(C)n(CCN2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)n1 77100056 FKFRNRCXUXJKPE-UHFFFAOYSA-N 392.507 2.738 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(F)cc1 224925858 VLVVANJNWDHPOQ-UHFFFAOYSA-N 397.424 2.845 0 40 GFAB Cc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 41953623 XRYPTTIWRPPTHI-NRFANRHFSA-N 396.466 2.674 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 224364523 WWIBSMXHMMYYGE-UHFFFAOYSA-N 386.395 2.788 0 40 GFAB O=C(Cn1c2c(c(=O)n(-c3ccc(Cl)cc3)c1=O)CCC2)Nc1ccccc1 226820863 DISGZXRBKGRYLR-UHFFFAOYSA-N 395.846 2.780 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1cccs1)CC2)c1cnccn1 77196298 CTABENSAWINCBL-UHFFFAOYSA-N 386.462 2.837 0 40 GFAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C 225697720 BNECLQZVLCVGQE-UHFFFAOYSA-N 386.517 2.769 0 40 GFAB C[C@H](NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1)c1ccc(F)cc1 225944512 AUPFLJAUYZLPQJ-YVEFUNNKSA-N 382.432 2.823 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 224006077 UVFBKWUVQHVUIK-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB CCOc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 223371069 GRPXVYDELUFIDT-UHFFFAOYSA-N 376.478 2.794 0 40 GFAB CCc1ccc(NC(=O)N2C[C@H]3CC[C@@]4(N=C(C)N(CCOC)C4=O)[C@H]3C2)cc1 96261509 KKNGGHKIQLOMHG-ZWCUEREDSA-N 398.507 2.769 0 40 GFAB Cc1nc(CN2CC[C@]3(C2)CN(C(=O)c2c[nH]cn2)CCC3(F)F)cs1 96078127 QNEDSSLQGIXUOV-INIZCTEOSA-N 381.452 2.548 0 40 GFAB Cc1ncc(CNCCCO)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95475509 ORCGXQBJGWPGNN-UHFFFAOYSA-N 382.416 2.610 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242390167 ABQNVLMROCNAHX-SFHLNBCPSA-N 387.501 2.751 0 40 GFAB O=C(Cc1ccccn1)N1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 257218744 DEGWIWDYWILOMH-FQEVSTJZSA-N 378.407 2.820 0 40 GFAB COCCC(=O)N1CCC[C@H]1c1cc(C(F)(F)F)c2c(O)nc(N)nc2c1 257247725 JAEDVMXNJITEOI-LBPRGKRZSA-N 384.358 2.636 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccc(C(C)C)cc2)C1 260508201 PZARENVFROJSAC-IBGZPJMESA-N 380.554 2.921 0 40 GFAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cnn(CC(F)F)c3)CC2)cc1 639712245 VWJDVTGRSOAKAQ-UHFFFAOYSA-N 391.422 2.883 0 40 GFAB N[C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 652383154 BLNLQIDEWVEPPW-IJLUTSLNSA-N 398.472 2.816 0 40 GFAB CC1(C)CO[C@@H](c2cccc(F)c2)CN1S(=O)(=O)c1cc(Cl)cnc1N 657169937 RPTMCBITVBVQOD-CQSZACIVSA-N 399.875 2.997 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)N(C)Cc3ccccc3)c12 57996104 NVEBQOOBVQBDRV-UHFFFAOYSA-N 378.432 2.797 0 40 GFAB COc1ccccc1CN1CCN(C(=O)c2cccc(-c3nnco3)c2)CC1 95997694 TXVQTLFLOAUTFD-UHFFFAOYSA-N 378.432 2.703 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CCN(S(=O)(=O)c2ccccc2)C1 96371132 SKYWZPOZBKNYTQ-MRXNPFEDSA-N 385.894 2.577 0 40 GFAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 70173471 RUAQCFIYLGHWAB-VHSXEESVSA-N 381.723 2.850 0 40 GFAB CN(c1ccc(Cl)cn1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971620 RLURTIBYGXGETF-UHFFFAOYSA-N 392.854 2.560 0 40 GFAB COCCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccncc1 5027246 UQIQSNVTZRGHFG-GDBMZVCRSA-N 389.525 2.774 0 40 GFAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 5715867 SUOVBIXUAAGBHJ-LRYXAPPNSA-N 398.503 2.681 0 40 GFAB COc1ccc(CN2Cc3cc4cc5c(cc4nc3OCC2=O)OCO5)cc1 12113105 GUEHCNDYTVSCAT-UHFFFAOYSA-N 378.384 2.893 0 40 GFAB CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccncc4C)C[C@@H]32)c(OCC)n1 12134788 MSBQDKBXVDWXEH-LZNRXBQRSA-N 398.507 2.707 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 12203731 BBJZACQAJAKYRJ-KXBFYZLASA-N 388.851 2.791 0 40 GFAB CCc1ccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)n2)cc1 12555774 SDPVELSVRXVJMJ-ZDUSSCGKSA-N 398.488 2.898 0 40 GFAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(C(=O)O)cc3)n2)cc1 15675060 HQTZPZPROWYYFM-AEFFLSMTSA-N 395.415 2.751 0 40 GFAB biogenic,in-vitro CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2 19017351 OLDCNWJMFHWBHO-HXUWFJFHSA-N 396.466 2.817 0 40 GFAB COc1ccccc1CC(=O)N[C@@H](c1cc(=O)[nH]c(-c2ccncc2)n1)C(C)C 19445737 CPHSSBUCQQZIGZ-OAQYLSRUSA-N 392.459 2.897 0 40 GFAB NCc1ccc([C@@H]2CN(C(=O)COc3ccccc3F)C[C@H]2c2cc[nH]n2)cc1 19698998 QIFSYDRLYRBSMP-ZWKOTPCHSA-N 394.450 2.796 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCCc3ccc(N(C)C)cc3)C2)c1 19750329 IEWJXBRKLNAJPH-IBGZPJMESA-N 395.503 2.582 0 40 GFAB CC[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)O 649261473 JDNAVVIMRADVLM-IINYFYTJSA-N 387.263 2.825 0 40 GFAB O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@H](N2CCCC2=O)CC1 569570541 YZRLHQKPKDABTR-SFHVURJKSA-N 381.480 2.559 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(F)(F)F)c2ccccc2)cc1 16694953 DOJJFFZVMIOECW-UHFFFAOYSA-N 386.395 2.869 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@@H]4CN(c5ccccn5)C[C@H]43)c2O1 1889197924 LMNSCCVISNEIKF-QZTJIDSGSA-N 393.487 2.911 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(c4cnc5ccccc5n4)CC3)nn2)n1 1889224979 YQAKOVVMORHODY-UHFFFAOYSA-N 386.463 2.549 0 40 GFAB COc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1S(=O)(=O)N1CCCC1 17957444 FOVKFGHRIIAJGK-UHFFFAOYSA-N 392.477 2.653 0 40 GFAB CN(CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1)C1CCCC1 2037912488 LCACKZUUIHVROP-OAQYLSRUSA-N 378.488 2.823 0 40 GFAB CCOC(=O)CSc1nnc(N2CCN(c3ccccc3OC)CC2)s1 23139956 ZWVIHFJAKQEHCO-UHFFFAOYSA-N 394.522 2.529 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)s1 23107875 CWMBFOLAIWLERK-AWEZNQCLSA-N 386.564 2.724 0 40 GFAB O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 206819187 WTEJWRMWKDDEKK-JTQLQIEISA-N 393.412 2.599 0 40 GFAB COc1ccc2cc(C(=O)N3CC[C@H](S(=O)(=O)Cc4ccco4)C3)[nH]c2c1 585268233 PUPMQRCHAZQZQJ-INIZCTEOSA-N 388.445 2.599 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(CNC(=O)NC(C)C)cc2)n1 40151984 SJEKOCXPGPQITC-OAHLLOKOSA-N 385.512 2.774 0 40 GFAB CCOC(=O)Cn1cnc2c(sc3nc4c(cc32)CO[C@@](C)(CC)C4)c1=O 32105317 USRHQDDFNLBMHQ-IBGZPJMESA-N 387.461 2.811 0 40 GFAB COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCCO)c(=N)c21 101351641 CKHJLCPPYZKOQX-GOSISDBHSA-N 379.416 2.745 0 40 GFAB Cc1noc(C)c1C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 32808576 XHBZXMVLVOAXRJ-UHFFFAOYSA-N 389.477 2.669 0 40 GFAB CN(C)C(=O)[C@@H]1CN(C(=O)C2=Cc3cc(Cl)ccc3OC2)c2ccccc2O1 32823576 OGDMZWAYOJFACC-IBGZPJMESA-N 398.846 2.998 0 40 GFAB NC(=O)C1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 32841547 XMCHXZPYGUEKLJ-UHFFFAOYSA-N 393.896 2.642 0 40 GFAB O=C(CN1CCN(C(=O)c2c(F)cccc2Cl)CC1)NCc1ccccc1 32904622 MVBIEWCFHSUSEK-UHFFFAOYSA-N 389.858 2.553 0 40 GFAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCc1nc2ccccc2[nH]1 22314673 PODCFMQZHHXBCU-UHFFFAOYSA-N 389.459 2.638 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc(N(C)C)cc2)N2CCOCC2)cc1 23732267 RGDAILACAWBNHB-OAQYLSRUSA-N 383.492 2.565 0 40 GFAB O=C(O)CCCC(=O)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1 2347961 HRILJAJFRAZBOZ-UHFFFAOYSA-N 393.403 2.713 0 40 GFAB COC(=O)c1sc2ncn3nc(-c4nn(C)c(C)c4Cl)nc3c2c1C 2790299 ILAULXFGRUJVLO-UHFFFAOYSA-N 376.829 2.796 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 3326427 SFBSSYMTFWTYEM-UHFFFAOYSA-N 386.470 2.657 0 40 GFAB COCCNC(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 4093191 WMSJIPAQKXOUOK-UHFFFAOYSA-N 398.429 2.763 0 40 GFAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NCCCc2ccccc2)cc1C 4895744 ITBXMMZVQIMPEG-HHHXNRCGSA-N 386.517 2.740 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCCOc2ccc(C)cc2)C1=O 7780222 DLRYEHJQLOOUMY-QFIPXVFZSA-N 396.443 2.774 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 8040688 LVQBDPULMIWTDI-HNNXBMFYSA-N 386.448 2.868 0 40 GFAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8298202 HCNBGFDQDSTCAO-TYPHKJRUSA-N 381.524 2.648 0 40 GFAB biogenic,in-vitro COc1ccc(N([C@@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1Cl 10371862 RMCPZZRYSYFCLG-LBPRGKRZSA-N 376.906 2.665 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F)c1ccccc1F 8810645 QKHCQHZLXQYJOK-GFCCVEGCSA-N 396.415 2.674 0 40 GFAB C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(Br)c1 32796169 OTUTWJHOXJGLTD-ZDUSSCGKSA-N 375.266 2.985 0 40 GFAB COc1cccc([C@H](NC(=O)C(=O)Nc2ccc(C)cc2F)c2nccn2C)c1 41195443 RBXOUGYZDOSUOA-SFHVURJKSA-N 396.422 2.721 0 40 GFAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)[C@@H]1COc2ccccc2C1 32843017 AYRXIHXJCZPUES-LBPRGKRZSA-N 376.338 2.616 0 40 GFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(-n4cncn4)nc3)o2)cc1 32905734 QKOKPOSAUNFQMG-GFCCVEGCSA-N 392.375 2.639 0 40 GFAB COC(=O)c1cnc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)s1 21865011 KZQUSPMZJIZKOO-UHFFFAOYSA-N 384.339 2.937 0 40 GFAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 22022545 RUEQRGSQWKXCCA-AAEUAGOBSA-N 384.548 2.688 0 40 GFAB Cc1csc2nc(CSc3nnc(NC(=O)C(C)C)s3)cc(=O)n12 20984260 MFPTWBPLCWLVIK-UHFFFAOYSA-N 381.508 2.803 0 40 GFAB COc1ccnc(N2CCN(C(=O)c3ccn(-c4ccccc4Cl)n3)CC2)c1 104520948 VZIPCZUPWHQTDN-UHFFFAOYSA-N 397.866 2.892 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc3c(c2)OCCO3)n1 23425568 VBLGUAZASUZEOE-UHFFFAOYSA-N 392.463 2.909 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc(OC)ccc3OC)C2)cc1 1018720 ZEGZHJPTUVRYBW-GOSISDBHSA-N 390.461 2.823 0 40 GFAB CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 12561189 DZOVUNMQWOLAJS-UHFFFAOYSA-N 394.518 2.980 0 40 GFAB Cc1cccnc1NC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 12564759 YQVMNNRNJFZEPP-UHFFFAOYSA-N 387.383 2.716 0 40 GFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12551570 XOLGKLPXIXNUFJ-IAGOWNOFSA-N 393.409 2.736 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](C(N)=O)C3)c3ccccc3n2)c(C)c1 50859192 MILJWKYQBLWLHH-OAQYLSRUSA-N 389.455 2.845 0 40 GFAB CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(C)(=O)=O)c1 1394782 XVEZHGVJOVKPRM-UHFFFAOYSA-N 383.451 2.539 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1 24910660 YOEIFRJSKIYUEK-UHFFFAOYSA-N 376.844 2.573 0 40 GFAB COc1ccc(/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)cc1OC 1444202 KUSHEYWKBCMFEB-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c1 3271274 PRCQLJJCNXZQAE-UHFFFAOYSA-N 389.379 2.988 0 40 GFAB CC(=O)N1CCN(C(=O)[C@H](C)Nc2ccc(N(C)Cc3ccccc3)cc2)CC1 56205375 WXXIEHPDQGKZFJ-SFHVURJKSA-N 394.519 2.814 0 40 GFAB C[C@@H](C(=O)O[C@H](C)C(=O)NCCC1=CCCCC1)N1C(=O)c2ccccc2C1=O 7807022 SLXHFCRVDZUCOB-LSDHHAIUSA-N 398.459 2.610 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1cccc(C)c1)N1CCCC1 27571589 YWQAUMIXQULSGM-HXUWFJFHSA-N 395.503 2.687 0 40 GFAB Cc1cc(SCC(=O)NCCN2C(=O)CSC2=O)nc2c(C)cccc12 3386746 LWPQKINFOIKEMJ-UHFFFAOYSA-N 389.502 2.755 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc2cc[nH]c2c1 44901941 NLBSBBRCFGIYFX-UHFFFAOYSA-N 395.438 2.777 0 40 GFAB COc1cc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc(OC)c1OC 58323332 NTHKFKHMINZTFE-HOTGVXAUSA-N 379.453 2.513 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(=O)OC)cc1 2253625 WODAYRVMCOXOFV-XHDPSFHLSA-N 388.445 2.685 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccccc1 7976817 LALWYSBGJYROGZ-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22536809 UJNIMIMASQMFDT-AWEZNQCLSA-N 394.468 2.770 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)CCCc2nc3ccccc3s2)CC1 12925955 VBLGZATTXUYURO-UHFFFAOYSA-N 395.550 2.549 0 40 GFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 13023797 HHPVNSWLFRYSIS-OAHLLOKOSA-N 381.432 2.663 0 40 GFAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCCc1ccccc1 20762773 QWZGESKQLZFAMZ-UHFFFAOYSA-N 390.487 2.985 0 40 GFAB biogenic COc1ccccc1CNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22385644 BXVLZAWPORAWLZ-UHFFFAOYSA-N 390.505 2.703 0 40 GFAB Cc1cccc(C)c1OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4183425 KNFUUSOFLBQEGI-MRXNPFEDSA-N 393.530 2.960 0 40 GFAB CCNC(=O)C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(OC)cc1 4142411 HVCFUEOZKWEDPT-GOSISDBHSA-N 399.422 2.698 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCc3ccccc3C2)C1=O 16833595 KQVZSHSSDQUONA-JOCHJYFZSA-N 379.460 2.868 0 40 GFAB COC(=O)c1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 5178253 QBWQMHXAIKGISF-NOCYUORASA-N 395.465 2.717 0 40 GFAB COc1ccc(CN(C(=O)/C=C/c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 5120079 WCIOTOHJMWCFHQ-DLENHJPASA-N 385.485 2.924 0 40 GFAB CCOC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392429 SJOXSOZWMDLNIM-LLVKDONJSA-N 385.507 2.567 0 40 GFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cn1 6251435 ZGMKFDIZOISKSM-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1 6275143 SLLWUKWKHVSYOD-UHFFFAOYSA-N 389.355 2.583 0 40 GFAB CC(=O)N1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1 8346644 PQDNWLOCXRWWDH-UHFFFAOYSA-N 381.480 2.869 0 40 GFAB CNc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 8325405 MWVQAQMNQFFWII-GFCCVEGCSA-N 392.506 2.807 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 4523411 RJUIPKNWBWNZST-GFCCVEGCSA-N 384.465 2.819 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(I)c1 5631405 WMMMKGFMKRLTDR-ZDUSSCGKSA-N 395.196 2.861 0 40 GFAB C[C@@H](OC(=O)CCS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F 8638842 XGUNQOUCOWELFD-CYBMUJFWSA-N 379.409 2.560 0 40 GFAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1C 8667865 WXXLBNQVSASKHX-AWEZNQCLSA-N 395.507 2.957 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107976 MMRUAVGGLLPJJZ-XHDPSFHLSA-N 384.835 2.969 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccc2)N1Cc1cccnc1 8992279 WCTWVIZRYHZSPF-CTNGQTDRSA-N 380.469 2.931 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1[C@H]1CCS(=O)(=O)C1 8917270 YZJPDLGSIDFTQB-KBXCAEBGSA-N 395.436 2.525 0 40 GFAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccccc1F 9060572 AFWOLJMMZOMIPA-GOSISDBHSA-N 375.425 2.895 0 40 GFAB Cc1nn(-c2ccc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)cc2)c(C)c1Cl 9248712 JSZPVXCVPMMUKZ-AWEZNQCLSA-N 391.855 2.547 0 40 GFAB COC[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 408626823 XOOPKAPVJLPTOC-KRWDZBQOSA-N 390.505 2.650 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 95461936 GMENMSJSLZGFEN-QGZVFWFLSA-N 383.489 2.556 0 40 GFAB COc1ccc2nc(CN3CCN(c4ncc(Cl)cc4Cl)CC3)[nH]c2n1 95996049 BCVWNBVDCNEXDB-UHFFFAOYSA-N 393.278 2.991 0 40 GFAB O=C(Nc1ccc(Cc2nnn[nH]2)cc1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 95993260 DSEWFAISHHUSOX-QGZVFWFLSA-N 399.458 2.855 0 40 GFAB COc1ccc(-c2c(S(C)(=O)=O)nnc3c(-c4ccccc4)cnn23)cc1 409417905 PAPLNTPOYYTQNJ-UHFFFAOYSA-N 380.429 2.870 0 40 GFAB CN1CCN(C(=O)Nc2ccc3ccnc(O)c3c2)C[C@H]1c1nc(C2CC2)no1 515640681 OCPCAHZIIYZQCH-INIZCTEOSA-N 394.435 2.721 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408583317 HJEDVBHXKPOFIN-GFCCVEGCSA-N 388.917 2.854 0 40 GFAB CC(=O)Nc1cccc(CNC(=O)c2nn(-c3cc(C)ccc3F)cc2O)c1 538313378 SLLDGXFVQXDGKM-UHFFFAOYSA-N 382.395 2.914 0 40 GFAB CC[C@H]1CN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)O)c3C)cc2)CCO1 539569439 ZGDQUXVGUTXQDG-SFHVURJKSA-N 385.464 2.757 0 40 GFAB Cc1c(CCC(=O)NC[C@H]2CC[C@@H](C(=O)O)CC2)c(=O)oc2cc(O)ccc12 217451070 YGSACYKGVCBPLQ-HDJSIYSDSA-N 387.432 2.747 0 40 GFAB COCc1cc(CN2CCn3c(nnc3[C@H]3CCCNC3)C2)ccc1OC(C)C 72372152 QIPWTYOILAUJRX-SFHVURJKSA-N 399.539 2.695 0 40 GFAB COc1cccc(C(=O)N2CCN(CCC(=O)Nc3ccccc3F)CC2)c1 40059776 RKVFCSANZXCQCB-UHFFFAOYSA-N 385.439 2.621 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)CC1 226086919 SOQONYKDLZQZMB-UHFFFAOYSA-N 382.526 2.648 0 40 GFAB COc1cccc(N(C)C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 226050249 LWMFAIHDPNMQHN-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB CSc1cccc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)c1 220072190 QDLRLNGTJAXWSQ-UHFFFAOYSA-N 378.519 2.799 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccnc(O[C@@H]3CCSC3)c2)CC1 225718652 IKNCMBHNQSVZNA-QGZVFWFLSA-N 399.516 2.937 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 223022368 QTPVUJCICOJOOL-UHFFFAOYSA-N 399.440 2.681 0 40 GFAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)Nc1ccn(C)n1 227159817 WBKMNVMPINTWRW-NSHDSACASA-N 390.241 2.774 0 40 GFAB O=C(c1ccncc1)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 96267289 NUGCYUCHDOMXNT-UHFFFAOYSA-N 376.464 2.744 0 40 GFAB Cc1ccc(N2C[C@]3(COCCN(Cc4cccs4)C3)OCC2=O)s1 96051452 OCIWWOKEVYFQTR-GOSISDBHSA-N 378.519 2.752 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 257233067 GNPJPGQKNVNJCV-IBGZPJMESA-N 398.478 2.725 0 40 GFAB CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CN1CCN(C2CC2)C1=O 618784799 QZCLLUZMIRCGGG-QGZVFWFLSA-N 391.899 2.919 0 40 GFAB CN1CCO[C@H](CN(C)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1 633918632 UJVBLNOYHQUSHK-HNNXBMFYSA-N 385.430 2.708 0 40 GFAB O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 653331850 XCFTXBNUFCBZJF-MLHJIOFPSA-N 379.412 2.991 0 40 GFAB C[C@H]1[C@@H](C)N(CC(=O)Nc2ccccc2)CCN1CC(=O)Nc1ccccc1 662226733 RUQPAPYYCCEJNB-HDICACEKSA-N 380.492 2.658 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1nccn1-c1ccccc1 664902400 OZHWYSOAYVQLEW-LZQZEXGQSA-N 394.479 2.805 0 40 GFAB Cc1ccc(NC(=O)N2CCN(C(=O)C[C@@H](C)CC(=O)O)CC2)cc1Cl 656233003 HYWIYEIIDSBRCA-GFCCVEGCSA-N 381.860 2.825 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)O[C@@H](C(=O)N(C)C)c1ccccc12 585109801 VSUUWEZMZSVHHK-GOSISDBHSA-N 383.448 2.582 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CN3CC3CCCCC3)C2)c1 585107897 CQQMRIZIHURUTE-XLIONFOSSA-N 378.538 2.970 0 40 GFAB CN1CCN(Cc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1 41664554 WWDZEOJKJUVURB-UHFFFAOYSA-N 377.444 2.793 0 40 GFAB Cc1cccc(CN2CCc3nc(C)n(CC(=O)NCCC(C)C)c(=O)c3C2)c1 49400929 IFZUYLIEFXZCDX-UHFFFAOYSA-N 396.535 2.581 0 40 GFAB CCCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72393037 GPGVWACESMYSLU-GOSISDBHSA-N 390.491 2.954 0 40 GFAB O=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11141335 YJLCYNPCHCXRNF-UHFFFAOYSA-N 375.812 2.818 0 40 GFAB CCOC(=O)[C@@]1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCCN(C(C)=O)C1 12157267 PVULUUZFHBISCV-YLJYHZDGSA-N 376.428 2.901 0 40 GFAB Cc1sc2nc(CS[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 12817951 ZVGOGACQKDCXAV-GBIKHYSHSA-N 395.550 2.859 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 15501496 YHXBNSGPQQPKNM-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB Cc1nn(C(=O)c2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 15865222 QNDLDDBPEYIDEL-UHFFFAOYSA-N 385.445 2.528 0 40 GFAB CC(=O)N[C@H](CC(=O)N1CCN(C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 19020018 CNFHZOOCOZCMJO-NHCUHLMSSA-N 383.467 2.908 0 40 GFAB Cc1cc2c(CN3CCCOCC3)c(C(F)(F)F)nc-2n(CC(=O)N(C)C)c1 19124801 ZDSIOXDSHLXRSE-UHFFFAOYSA-N 398.429 2.626 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 19210921 YXMHQWALOFUHIL-KRWDZBQOSA-N 394.519 2.946 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)c2cccc(F)c2)CC1 19289038 JSDILJGOJAVJTQ-UHFFFAOYSA-N 379.439 2.579 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 19497937 BRKMZUWTHFBZSO-AUUYWEPGSA-N 378.476 2.765 0 40 GFAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cn[nH]n4)C3)cc(C(F)(F)F)c12 19564288 STYDVWVVMUQFAI-VIFPVBQESA-N 380.330 2.688 0 40 GFAB Cc1ncsc1C(=O)N1CCO[C@@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704469 WDXLRQZVJDFMOT-NRFANRHFSA-N 397.500 2.651 0 40 GFAB COCCN(C(=O)c1cc2cc(F)ccc2nc1C)C1CCN(C(C)=O)CC1 19718314 UCAMVNWXPAJIHH-UHFFFAOYSA-N 387.455 2.782 0 40 GFAB Cn1cc(-c2cnc(OC3CCN(c4ccnc(C5CC5)n4)CC3)nc2)cn1 1889186921 BPCKDRJCJXDYGR-UHFFFAOYSA-N 377.452 2.592 0 40 GFAB NC(=O)Cc1csc(NC(=O)COC(c2ccccc2)c2ccccc2)n1 21495939 SCHYWXUUPFWDQP-UHFFFAOYSA-N 381.457 2.916 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1F 24943134 BUAPFULWHLRBGU-UHFFFAOYSA-N 375.419 2.872 0 40 GFAB Cc1cccnc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984430 BEEDPRRNQUGVLB-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCC(C)CC2)c2ccccc21 3007539 IOXCQXDEUFTRLG-UHFFFAOYSA-N 383.492 2.951 0 40 GFAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1ccccc1Cl 4911413 RGDXPEXTSRUKAE-CQSZACIVSA-N 392.868 2.647 0 40 GFAB CCc1ccc(-c2csc(NC(=O)C3CCN(S(C)(=O)=O)CC3)n2)cc1 13704706 HMJNWWBZHOBEMU-UHFFFAOYSA-N 393.534 2.983 0 40 GFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38732580 KUZAMPNMQTZRDA-KGLIPLIRSA-N 396.472 2.819 0 40 GFAB CCCNC(=O)c1ccc2c(c1)ncc(=O)n2CC(=O)Nc1cccc(Cl)c1 49007982 ODMNBLKBGIWCBT-UHFFFAOYSA-N 398.850 2.828 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575609065 IPPSTCCRRLCHAN-LBPRGKRZSA-N 375.841 2.818 0 40 GFAB C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 40144302 QZIWGGOKOGRBCB-GFCCVEGCSA-N 380.872 2.812 0 40 GFAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)C1 40105053 VFTQVZPJGOXEGT-DZGCQCFKSA-N 380.466 2.603 0 40 GFAB COc1cc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc(OC)c1OC 2319464 DENZUNGSDQEMFB-UHFFFAOYSA-N 381.841 2.888 0 40 GFAB Cc1ccc(OCc2nnc(S[C@H](C)c3nc(N)nc(N(C)C)n3)o2)cc1 31621110 NBHOGICRNBWMMP-LLVKDONJSA-N 387.469 2.644 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885338 NKPHVJAVUYSGSZ-FOUBCARRSA-N 396.418 2.516 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1OC)CC(=O)N2 4944319 SWVJUMKBEHCDJH-NSHDSACASA-N 375.450 2.763 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2 4944343 KARUWKAXELNWDP-NSHDSACASA-N 375.450 2.763 0 40 GFAB Cc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 7304465 SIMWAWJWSIIIMW-UHFFFAOYSA-N 397.294 2.983 0 40 GFAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(-c3ccccc3)cc2)n(C)c1=O 7416542 JNAZVIJGZPWHRB-UHFFFAOYSA-N 380.835 2.802 0 40 GFAB COc1cc(OC)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1Cl 7719198 YPMFZLQSDVOQCD-UHFFFAOYSA-N 395.843 2.550 0 40 GFAB Cc1nc2cc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)ccc2n1-c1ccccc1 7738461 NNRJMJCZUZMAAP-HNNXBMFYSA-N 393.443 2.738 0 40 GFAB COCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1 8476334 KKSGKSDVFUHQIU-UHFFFAOYSA-N 386.839 2.973 0 40 GFAB Cc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c(C)nc2c1 32924428 CZUONSVKEWWODZ-GOSISDBHSA-N 381.476 2.563 0 40 GFAB O=C(Oc1ccc(I)cc1)c1cnc2ccccn2c1=O 55415281 GBHPGSAFGRYYBU-UHFFFAOYSA-N 392.152 2.518 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(C)C)cc3)C2=O)o1 107939916 UKUSEHOGRDQWNA-YBEGLDIGSA-N 384.388 2.946 0 40 GFAB O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2 850339 WFYHAKOLBICHEZ-QGZVFWFLSA-N 390.189 2.591 0 40 GFAB Cc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(C)c1 975166 JZWYIRYKKYBXJU-QZTJIDSGSA-N 399.450 2.780 0 40 GFAB CCn1ncc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1C 2804908 GSIMIRPEBUURQS-UHFFFAOYSA-N 379.873 2.910 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 23270404 SKTSEOAMXZBMGH-UHFFFAOYSA-N 397.456 2.615 0 40 GFAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(CN2CCOCC2)cc1 24148834 FUCGPZBWSLMRCM-UHFFFAOYSA-N 396.487 2.539 0 40 GFAB Cn1c(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)sc2n(C)c1=O 12422780 WELSTLUPWGFRMY-UHFFFAOYSA-N 383.351 2.570 0 40 GFAB COCCNC(=O)CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1 25464174 LFKLCVAHVFDHQL-UHFFFAOYSA-N 395.531 2.709 0 40 GFAB O=C([C@@H]1Cc2ccccc2S1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107157122 VMUXUBAHURMICW-SBHAEUEKSA-N 380.513 2.815 0 40 GFAB O=C(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)C(F)F)cc1 12559749 NJSBHMVHMMHJJF-UHFFFAOYSA-N 393.415 2.853 0 40 GFAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NCc1ccccn1 24232194 QTRVAGGZEXVKEP-UHFFFAOYSA-N 391.674 2.985 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccs1 57415892 SUBLTVSZZWNOMV-SFHVURJKSA-N 383.473 2.587 0 40 GFAB CC(C)CN1[C@@H](Cc2ccc3c(c2)OCO3)[C@H](O)c2ccccc2S1(=O)=O 36351257 QNCNOGSTSPIXOJ-OXJNMPFZSA-N 389.473 2.720 0 40 GFAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12767386 MNUXKYIXHRXJFC-GFCCVEGCSA-N 385.851 2.989 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccccc1SC[C@H]1CCCO1 48288191 RDVFQYVBJBUPAR-MRXNPFEDSA-N 395.488 2.863 0 40 GFAB CC(C)c1cc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)nn1C(C)(C)C 48374281 JNUHEBRLSFPNPK-FQEVSTJZSA-N 394.585 2.699 0 40 GFAB Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)ccc2o1 12806006 QJHNUIPSTOQCBK-UHFFFAOYSA-N 388.449 2.512 0 40 GFAB CCOc1ccc(-c2nc(CN3CCC(C(N)=O)CC3)cs2)cc1OC 12942160 HFLONFRCFJBFFX-UHFFFAOYSA-N 375.494 2.915 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(-n2cncn2)cc1 12901662 PFEGEIJXFWPQNN-GFCCVEGCSA-N 379.445 2.803 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1Cl 4275607 ZZEXILUHBFSHFY-XGYYKPKNSA-N 397.855 2.983 0 40 GFAB CC(C)[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 39539517 WOIHJFMCRVGTGS-KRWDZBQOSA-N 387.871 2.687 0 40 GFAB CCc1ccccc1NC(=O)Cn1c(=O)c(N(CC)C(C)=O)nc2ccccc21 64987634 BAFICRRLWWCMJP-UHFFFAOYSA-N 392.459 2.970 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1C 5163591 MGCVWFGGNHVIBS-SJORKVTESA-N 391.489 2.880 0 40 GFAB COc1ccc([C@@H](CC(=O)NCC(=O)Nc2c(C)cccc2C)NC(C)=O)cc1 14045884 WGTCVEMNOOSTMF-LJQANCHMSA-N 397.475 2.634 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1nnnn1-c1ccccc1 17714425 WWSXBKXRHXMBQO-UHFFFAOYSA-N 388.431 2.881 0 40 GFAB O=C(COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc[nH]1 4547227 YNZOEXKFVCLURV-UHFFFAOYSA-N 387.395 2.813 0 40 GFAB O=C(Cn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21)N1CCCCCC1 6509157 FIPJGTFQFKALNB-UHFFFAOYSA-N 377.444 2.705 0 40 GFAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2F)c1 4705158 WIUSSENOEZVADH-UHFFFAOYSA-N 399.422 2.533 0 40 GFAB COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15107398 VGGKDCVODPTSQL-NSHDSACASA-N 388.855 2.977 0 40 GFAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 67285791 BACULKDWCLQRCE-QGZVFWFLSA-N 377.872 2.853 0 40 GFAB CC(C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)NC1=S 8738258 SCUJNEBFSBCZLW-DNVCBOLYSA-N 391.924 2.893 0 40 GFAB Cc1noc(C)c1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 67831584 XXPHVDHOXSXHPT-GOSISDBHSA-N 379.416 2.768 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)C1=O 15858387 UINHFOZBYPDITF-GFCCVEGCSA-N 392.864 2.929 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7684602 VNVPTJXZIJDQLU-KRWDZBQOSA-N 384.480 2.974 0 40 GFAB O=C(COn1nnc2ccc(C(F)(F)F)cc21)NCc1ccccc1Cl 7737953 AEDRZXBJAVBTHE-UHFFFAOYSA-N 384.745 2.849 0 40 GFAB O=C(CCC(=O)NCC1(c2ccccc2)CCOCC1)NCCc1ccccc1 20716806 UIDQJKPIGUZMQV-UHFFFAOYSA-N 394.515 2.990 0 40 GFAB O=C(NCCCn1cnc2ccccc21)[C@@H]1CCCN1C(=O)c1cccs1 9378485 VTNCTXWSMDFLFY-KRWDZBQOSA-N 382.489 2.909 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)c1 71765029 GIXXHUGNHVLKMR-UHFFFAOYSA-N 391.475 2.855 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC)CC(=O)NC(C)(C)C 71796279 FWNWXDBOPVOXTC-QAPCUYQASA-N 375.513 2.594 0 40 GFAB COc1cccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3n2)c1 28250868 UKOGDRYAJGAQFA-OAHLLOKOSA-N 396.468 2.827 0 40 GFAB COCCN(CCNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)OC(C)(C)C 95453555 WPTKRFXMFORYPT-CQSZACIVSA-N 384.448 2.593 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O 95479959 KKEQMBQTBQVHCV-KRWDZBQOSA-N 397.479 2.777 0 40 GFAB c1ccc(CN2CNC3=N[C@H](c4cccnc4)n4c(nc5ccccc54)N3C2)nc1 20638681 AMEQAHBPOVHWRM-FQEVSTJZSA-N 396.458 2.570 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 20455253 NBJCMBJBGLZFRN-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB O=C(c1cccnc1)N1CCO[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306127653 GECLGWLXNVYNQA-GOSISDBHSA-N 377.448 2.543 0 40 GFAB Cc1cccc(C(=O)N2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)n1 306124499 BRPOVVGNZGIEIE-QHCPKHFHSA-N 385.471 2.984 0 40 GFAB Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)o1 535201378 MNWSMWVPXGVFNL-AWEZNQCLSA-N 387.461 2.646 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2C)cc1 32611768 KVLFTICXFMGAQV-UHFFFAOYSA-N 398.444 2.950 0 40 GFAB CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@H]34)n2)cc1 558631342 OXTJCFFBOZCYRD-UOKURYRPSA-N 389.455 2.803 0 40 GFAB COc1ccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)c(C)c1 35597341 OSTVFJYWYXGCHC-UHFFFAOYSA-N 381.440 2.521 0 40 GFAB CCCn1c(=O)n(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)c2ccccc21 32836584 SUPLZEUCDVKTLW-MRXNPFEDSA-N 395.459 2.511 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 40161865 SQBMOUMQGMBOLC-CQSZACIVSA-N 391.880 2.523 0 40 GFAB Cc1cccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 225232847 WNMPRDQNHZHGOU-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CCCOc2ccc(OC)cc2)s1 223108020 NPKHYLKEVDLANC-UHFFFAOYSA-N 397.478 2.610 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)Cc1ccccc1Cl 224819625 AYMBYFPYHTWCSG-UHFFFAOYSA-N 378.881 2.691 0 40 GFAB CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1Cl 574046531 MGSIMWLIRUUYTA-OCCSQVGLSA-N 384.885 2.776 0 40 GFAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)OCCO4)n2)c1 225405716 RNGYHSMXFYXYEQ-UHFFFAOYSA-N 381.388 2.789 0 40 GFAB O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccccn3)nc12)NC1CCCC1 40484831 HMHUFZFUWUSXKX-UHFFFAOYSA-N 387.443 2.770 0 40 GFAB COc1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 48654470 MNVSCVYMRPWUQV-UHFFFAOYSA-N 382.338 2.978 0 40 GFAB Cc1nc2c(c(N3CCC(NC(=O)c4n[nH]c5c4CCCC5)CC3)n1)CCCC2 225739594 QJUDFDBUKMBDAG-UHFFFAOYSA-N 394.523 2.665 0 40 GFAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccccc1C 224033770 SEJOTXHYNMYPCH-CYBMUJFWSA-N 382.511 2.871 0 40 GFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1nccs1)CC2 96037016 SKCUDYXDGQHIBZ-UHFFFAOYSA-N 397.552 2.567 0 40 GFAB CC(C)n1cc(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2ccccc21 95479883 SHWQJYOJAFCTIS-UHFFFAOYSA-N 390.443 2.655 0 40 GFAB COc1ccc(NC(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2C)cc1OC 96347443 OKOYGUHWQCGHDW-UHFFFAOYSA-N 392.415 2.764 0 40 GFAB Cc1ccc(CCCC(=O)N2CC[C@@]3(COCc4cnc(N(C)C)nc43)C2)cc1 248110050 JYIQOGMAMHMVSP-QHCPKHFHSA-N 394.519 2.874 0 40 GFAB Cc1ncc(C(=O)N2CCC(Cc3cc(-c4c(C)noc4C)ncn3)CC2)cn1 257202932 ANYBMKXPVMKQKQ-UHFFFAOYSA-N 392.463 2.942 0 40 GFAB O=C(Cc1cccnc1)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257219988 DJCCTTKBPSHBOZ-LJQANCHMSA-N 381.407 2.942 0 40 GFAB O=C(NCCc1cnc2c(Cl)cnn2c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 664976380 UMDLZQKXJFTLLG-HYVNUMGLSA-N 385.830 2.702 0 40 GFAB NS(=O)(=O)c1ccccc1CNC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 665749758 AHSIFWMBASJHGN-SFHVURJKSA-N 399.516 2.813 0 40 GFAB CCN1CCO[C@@H](CNS(=O)(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1 657085799 STJIUIOKKMUWJY-IRXDYDNUSA-N 395.550 2.500 0 40 GFAB CCN1C(=O)CCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccccc2C)CC1 585285359 XXOICYRUJMCHQT-SFTDATJTSA-N 385.552 2.802 0 40 GFAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 585289093 DNLKMMKJXBHBGE-DIAHRDDTSA-N 383.492 2.917 0 40 GFAB Cn1nnc2cc(S(=O)(=O)NC3(c4c(F)cccc4F)CCC3)ccc21 585123466 AVJCXSYGDDNXKE-UHFFFAOYSA-N 378.404 2.604 0 40 GFAB CC1(C)C[C@@H]2CN(C(=O)CCN3CCOCC3)CC[C@@H]2N1c1cccc(F)c1 1615160202 XZIVYZKXQMACRE-XLIONFOSSA-N 389.515 2.754 0 40 GFAB O=C(Nc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1)c1ccco1 12584766 IRPGYVMTQPPMMV-UHFFFAOYSA-N 399.384 2.767 0 40 GFAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 16091133 KKARCTZOQGXJJN-QGZVFWFLSA-N 375.446 2.992 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1C2 16952666 YLMOLECRVWEACO-MRFFXTKBSA-N 398.411 2.918 0 40 GFAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3CC(C)(C)CN2CCOCC2)cc1 19084966 ASVVRFZYHKXDGV-DETIRCLXSA-N 388.552 2.868 0 40 GFAB CN(C)CCn1nc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 19583051 JKEPTJROHNSURG-QGZVFWFLSA-N 384.528 2.674 0 40 GFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CN(Cc3ccnn3C)CCO2)n1 19692679 OCAOVNYTLDLPKR-LJQANCHMSA-N 396.470 2.656 0 40 GFAB C[C@H]1Cc2cc(CN(C)C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)ccc2O1 19714258 ADMJMEXRPPTQCY-HNNXBMFYSA-N 393.487 2.792 0 40 GFAB Cc1sc(NC(=O)c2cccn3nnnc23)nc1-c1ccc2c(c1)OCCO2 19717614 SQWVPQIGOFVLRX-UHFFFAOYSA-N 394.416 2.580 0 40 GFAB CN1CCC(C(=O)N2CC(C(=O)Nc3ccc(OC4CCCC4)cc3)C2)CC1 19747563 TXUMMORTEPRFII-UHFFFAOYSA-N 385.508 2.747 0 40 GFAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)c3ccc(=O)n(C)c3)C2)N1C 643578121 HESKGEMUIRIOOW-UXHICEINSA-N 394.519 2.615 0 40 GFAB COc1ccnc(C[S@@](=O)[C@H]2Nc3ccc(OC(F)F)cc3N2)c1OC 13282270 MTYWFNZUFLIARL-QMTYFTJSSA-N 385.392 2.770 0 40 GFAB in-vitro Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888987330 RSNUZXWNTBENMK-KRWDZBQOSA-N 391.880 2.846 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1CCCNC(=O)C1(c2cccc(Cl)c2)CC1 28993260 KNIJAOKPRKPBSR-UHFFFAOYSA-N 389.883 2.743 0 40 GFAB O=C([C@H]1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCC(F)(F)CC1 2086929629 DQOCVHHPCBXOSO-GFCCVEGCSA-N 380.222 2.851 0 40 GFAB Cc1nccn1S(=O)(=O)c1ccc(Br)cc1Br 1059133 MGOXBNGXLWRBOI-UHFFFAOYSA-N 380.061 2.954 0 40 GFAB COc1ccc(N2C(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4387453 BJULYDNDKLHPJE-RTBURBONSA-N 386.473 2.924 0 40 GFAB Cc1oc2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n2c1C 8704285 CNYSGCQHEZUUIP-UHFFFAOYSA-N 393.230 2.913 0 40 GFAB O=c1c(=O)n2c(nn1Cc1c(F)cccc1Cl)N(c1ccc(F)cc1)CC2 8849065 JEZPXPLYLYGGHI-UHFFFAOYSA-N 390.777 2.537 0 40 GFAB COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1 13695717 LCHWGFPTDCFUHG-FQEVSTJZSA-N 396.443 2.781 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1 16975438 HVSOUYUGOQFEEM-GOSISDBHSA-N 399.516 2.537 0 40 GFAB COc1ccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)c(C)c1 35598145 XXTBACSCDOOQOC-UHFFFAOYSA-N 381.440 2.521 0 40 GFAB CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)[C@@H](c2ccccc2)C1 30029831 VETSNZKNGUTRNB-LJQANCHMSA-N 387.430 2.600 0 40 GFAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)S2 20060453 FSYJPUATBIABCF-GJZGRUSLSA-N 389.868 2.908 0 40 GFAB COc1ccc(CCNC(=O)Cc2csc(-c3ncccn3)n2)cc1OC 40146506 ZOHRUCUNXDMAGS-UHFFFAOYSA-N 384.461 2.519 0 40 GFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@H](O)c2cccc(F)c2)C1 51290509 XMVIUDTWJDPWGG-KUHUBIRLSA-N 388.464 2.886 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101229121 PKAUUKDVIYWDQE-DSIZOQBWSA-N 381.428 2.770 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 6818965 LJTIHFYSZGAAJO-ZDUSSCGKSA-N 380.491 2.796 0 40 GFAB CCN1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 6953447 AEHQFRNSUSREPP-NRFANRHFSA-N 399.516 2.832 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)c1 7881562 XDYFPFXDYSQCMB-ZBFHGGJFSA-N 397.427 2.871 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1C 10314974 PRQYMNPDDRXMOC-UHFFFAOYSA-N 376.434 2.714 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 8156523 ATYAGYJGMUZBRF-UHFFFAOYSA-N 382.445 2.649 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(F)(F)F)cc1 8158391 KSNLUYLMYFPNLF-UHFFFAOYSA-N 388.367 2.631 0 40 GFAB Cc1ccccc1NC(=O)COc1ccc(C(=S)N2CCN(C)CC2)cc1 8571341 XFSZFHOCRCPCAK-UHFFFAOYSA-N 383.517 2.935 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)n(C)c1 32215592 YBIJPADOQOUMHN-CYBMUJFWSA-N 395.550 2.877 0 40 GFAB COc1ccc2nc(N3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1 8967125 OEUFVRXEFQUOHA-UHFFFAOYSA-N 395.531 2.877 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Oc1ccc(Oc2ccccn2)cc1 102398383 USBCOCSIQWGLLB-IRXDYDNUSA-N 378.384 2.731 0 40 GFAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@H]1CCCN(c2cnccn2)C1 29956451 KINNNVCCTVZNLL-QFBILLFUSA-N 382.464 2.890 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)cc1 21699094 OPZRFWZEBBTAGY-UHFFFAOYSA-N 385.397 2.688 0 40 GFAB COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)/C2=C/N1CCOCC1 102524114 RVZRZPZIEAIXOE-NBVRZTHBSA-N 394.427 2.564 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(F)cc1 20015351 LVYFMFQWWINOAA-LJQANCHMSA-N 390.480 2.781 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2cc[nH]c2c1 53797566 ZQAKMIKHOMTAND-UHFFFAOYSA-N 383.473 2.882 0 40 GFAB CCN1CCC[C@@H]1CNCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 22793340 FBSFGYUFBHPDHW-OAHLLOKOSA-N 386.521 2.526 0 40 GFAB CCOc1ccccc1C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 54033516 WDNYGRJCOBNEJE-UHFFFAOYSA-N 378.432 2.560 0 40 GFAB COC(=O)c1cc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc(C(=O)OC)c1 29484501 MHMCNEARFFQPGL-IBGZPJMESA-N 396.443 2.818 0 40 GFAB Cc1nc(C2(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)CCCCC2)no1 23507856 WHQHFQIEPVJKQG-UHFFFAOYSA-N 382.420 2.621 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)NCc3ccccc3F)CC2)cc1 24841259 DEKCCCSTWSYEGE-UHFFFAOYSA-N 384.455 2.600 0 40 GFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C)cc3)=C2)c1 20367688 VPRDBVHSTIPGSF-UHFFFAOYSA-N 385.445 2.506 0 40 GFAB Cc1ccccc1[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)NC(N)=O 43740262 WDIXOUVZCYIPJK-OAQYLSRUSA-N 394.519 2.875 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)o1 3364763 VWTVNGDKNBDNBF-VIFPVBQESA-N 384.845 2.628 0 40 GFAB C[C@H](Sc1nncn1[C@@H](C)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 58052852 WTYYLHSCJIJQEG-STQMWFEESA-N 375.498 2.992 0 40 GFAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 3327770 DTOCWJOVGCPCNI-UHFFFAOYSA-N 397.508 2.631 0 40 GFAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@H](CN1CCCC1=O)c1ccccc1 48289050 OPPKMBSYURWZNP-OAQYLSRUSA-N 388.471 2.895 0 40 GFAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3c2C1 12860898 WEQPQVOASQSQNW-CYBMUJFWSA-N 397.500 2.870 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 12811755 ZIGSWPSFOFOPEP-JTQLQIEISA-N 379.511 2.592 0 40 GFAB COc1ccc(-c2noc(Cn3nnc(-c4cccc(F)c4)n3)n2)cc1OC 12921432 WAPJCGZLDUMHBR-UHFFFAOYSA-N 382.355 2.595 0 40 GFAB Cn1nc(C(=O)NCC2(N3CCCCC3)CCCCC2)c2ccccc2c1=O 3547617 PLXYNGONSJCPFT-UHFFFAOYSA-N 382.508 2.852 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 13039448 YYYSCMJOCPBHGM-UHFFFAOYSA-N 387.411 2.511 0 40 GFAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN(C)[C@H](C)c2ccc(O)cc2)n1 89600730 NGWVVMBQWQMTHZ-MRXNPFEDSA-N 394.479 2.925 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261683 QJAZFGRAUQLZIN-GOEBONIOSA-N 397.566 2.653 0 40 GFAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 8667427 IFYKRULVHXPREN-CQSZACIVSA-N 380.400 2.552 0 40 GFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8622730 IGVDORDAZKZVCP-QGZVFWFLSA-N 393.230 2.794 0 40 GFAB Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1 4563436 XPRUFXVXMCAMJB-UHFFFAOYSA-N 381.889 2.852 0 40 GFAB CCCSc1nc(N(CCO)CCO)c2c3c(sc2n1)COC(C)(C)C3 5501127 VPVCNIHGZPWHFR-UHFFFAOYSA-N 397.566 2.836 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cnc2ccccc2n1 6607649 ZJQLRRKYDPDFAM-UHFFFAOYSA-N 382.445 2.667 0 40 GFAB CCCCOC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 14675451 SPGOZDDSNWHSRK-UHFFFAOYSA-N 381.384 2.987 0 40 GFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2csc3c2CCCC3)CC1 7063103 HXJYGYRBHCZICX-UHFFFAOYSA-N 379.478 2.585 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1N1CCOCC1)CS2 15324441 KNBTVKAUDPFGCT-MAUKXSAKSA-N 395.912 2.569 0 40 GFAB CCCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 7485297 UGGYUICZTNVCGI-OAHLLOKOSA-N 389.521 2.974 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1=COCCO1 7781300 KIUHYJSKSGKTEF-UHFFFAOYSA-N 378.734 2.644 0 40 GFAB O=c1c2ccccc2nnn1Cc1nc(-c2cccc(Br)c2)no1 7764039 VNVYRVRYFAIJAI-UHFFFAOYSA-N 384.193 2.652 0 40 GFAB Cc1cc(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833668 RHGMOUFVZDNFQE-HUUCEWRRSA-N 392.546 2.978 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC(C)(C)C2)c1 89969038 PHVUGLQXXQRSNT-UHFFFAOYSA-N 388.917 2.622 0 40 GFAB CCCCN(Cc1ccccc1)C(=O)COc1ccccc1P(=O)(O)O 9486069 NWOVXAHCFUQQRR-UHFFFAOYSA-N 377.377 2.697 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC3CCCCCC3)C2=O)cc1 9482566 LXXNHFXQUKLSND-SFHVURJKSA-N 387.480 2.735 0 40 GFAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@@H]1CCc2ncnn2C1 97002468 NBLICYUZTXJVTK-GFCCVEGCSA-N 391.357 2.619 0 40 GFAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NCCc1ccc(O)cc1 72403918 LGABJTAEJPJQNJ-UHFFFAOYSA-N 389.253 2.718 0 40 GFAB Cc1cnc(C(=O)N2Cc3cn(Cc4cccnc4)nc3-c3ccn(C)c3C2)cn1 306137630 RBSKKAFCEUWWGS-UHFFFAOYSA-N 399.458 2.586 0 40 GFAB CN1CCN(S(=O)(=O)c2ccccc2OC(F)F)[C@@H](c2ccccc2)C1 507494006 MMAYSSACQPAHGE-OAHLLOKOSA-N 382.432 2.965 0 40 GFAB COc1ccc(-c2ccc3nnc(C4CCN(C(=O)C5CC5)CC4)n3n2)cc1 306139044 SNVYGNADNUSIIU-UHFFFAOYSA-N 377.448 2.916 0 40 GFAB C[C@H]1CN(c2nccc(CN3CCN([C@@H]4CCCC[C@H]4C)CC3)n2)C[C@@H](C)O1 36718916 OYHFXGNONNTNNM-WERVVEIQSA-N 387.572 2.787 0 40 GFAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cncc(Br)c1 38679736 MOXYTZURDGZATN-RYUDHWBXSA-N 398.282 2.581 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCCN1CCN(c2ccccc2F)CC1 56997402 LYTCMBNEFIULSC-UHFFFAOYSA-N 391.874 2.796 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218502861 KAYIDUZEWTVDAI-MSOLQXFVSA-N 378.925 2.746 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 72339092 QLHHWEITWDYDSE-PSHPWPFNSA-N 391.471 2.695 0 40 GFAB COc1ccccc1OCCNC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1 79487922 XLGMJYOULAHWJW-KRWDZBQOSA-N 384.480 2.514 0 40 GFAB Cc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 224182178 ODBAKZSMKJMSSW-INIZCTEOSA-N 390.505 2.955 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC([C@H]2C[C@@H](N)CCO2)CC1 566849935 HTFCYEVVFUXUQP-SIKLNZKXSA-N 396.535 2.777 0 40 GFAB COc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222838469 PBLDVFYTMSUZOI-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C)c1 224892106 QFXXRUMXGXGHEW-LJQANCHMSA-N 390.505 2.865 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 226043079 QDRUPYDYONYSRZ-UHFFFAOYSA-N 378.428 2.760 0 40 GFAB CCCCOc1ccc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49482886 UHROWEUVCZHKNH-UHFFFAOYSA-N 379.420 2.945 0 40 GFAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NC[C@H]1CCCO1 227159318 GMOSZKUWQGVEGO-GXTWGEPZSA-N 394.269 2.697 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222511638 AMFSIKNUAGZKRZ-UHFFFAOYSA-N 396.896 2.717 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223611607 GOEMGPGYABENMQ-MOPGFXCFSA-N 382.489 2.879 0 40 GFAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 243200880 KEYMFTUHGAFSKK-LBPRGKRZSA-N 388.917 2.664 0 40 GFAB CN(C)S(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(C(F)(F)F)c1 247912970 AJPVDXORJPDLSE-CORIIIEPSA-N 378.416 2.744 0 40 GFAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(O)nc2)c1 614671531 XVXZYLXYYGJNEC-CYBMUJFWSA-N 386.427 2.992 0 40 GFAB O=C(O)COc1ccc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1 621540095 KAHCJCAHJWAJGC-FQEVSTJZSA-N 381.428 2.974 0 40 GFAB COCCOc1ccc(CNC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cn1 654378028 FJIHXRONMAOPAF-MRXNPFEDSA-N 377.485 2.740 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NC[C@](C)(OC)c1cccc(Cl)c1 96393127 PMDMQCHZHBHNTO-FQEVSTJZSA-N 390.867 2.643 0 40 GFAB CC1CCC(OC2CCN(c3ccc(S(N)(=O)=O)cc3C(=O)O)CC2)CC1 576758367 OHMPBIYQMRZFJK-UHFFFAOYSA-N 396.509 2.596 0 40 GFAB CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(Cc4ccc(CC(C)C)cc4)CC3)[C@@H]2C1 1615549940 IEOXTKTUEAYUAC-YADHBBJMSA-N 399.535 2.901 0 40 GFAB COc1cc(C2=NO[C@@H](C(=O)NCCc3ccccc3)C2)cc(OC)c1OC 5030952 RCNUZBLJRIKLFK-LJQANCHMSA-N 384.432 2.564 0 40 GFAB biogenic CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2c(c1=O)SCC2 5056188 XIKQTNSGYBHDLN-UHFFFAOYSA-N 377.491 2.651 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2)cc1 5274882 LVNPOKMSNXUQQI-SJORKVTESA-N 381.461 2.993 0 40 GFAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1c(F)cccc1F)CSC2 5438322 BPWZEEFXLTWQKB-UHFFFAOYSA-N 394.447 2.918 0 40 GFAB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc1 5505011 LQVWKLMYCFWTSY-SFHVURJKSA-N 395.415 2.748 0 40 GFAB COc1cc(C)ccc1OCC(=O)Nc1nc2c(s1)CCc1c-2cnn1C 12327337 SIDSLJFXGDVFPZ-UHFFFAOYSA-N 384.461 2.977 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 14400711 RBRGEHCBEDDSDD-UHFFFAOYSA-N 382.460 2.755 0 40 GFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 15880150 OMGWLOAYSSNSOS-UHFFFAOYSA-N 379.507 2.565 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)ncc2C1 19135734 GTNAPSNPIILBSH-APWZRJJASA-N 392.503 2.809 0 40 GFAB COc1c(C)cccc1CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19235922 LVDJQOLNIXKQPV-UHFFFAOYSA-N 393.487 2.741 0 40 GFAB Cc1nccn1[C@H](C)CC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 19746119 CWWVLQPMTNVULF-CYBMUJFWSA-N 384.415 2.756 0 40 GFAB CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1 1857792484 MTOUOUSKXWSTAX-UHFFFAOYSA-N 388.493 2.952 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)NC4CCCCC4)ccc3c(=O)n2CC1 12187077 ZIJNWLVKDCJQBX-UHFFFAOYSA-N 382.508 2.726 0 40 GFAB COc1cccc(CC(=O)N2Cc3ccccc3OC[C@@H]2Cn2ccnc2)c1 12128215 JSAZHUVMFLUODR-IBGZPJMESA-N 377.444 2.924 0 40 GFAB Cc1nc(C2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)c2cccnc2n1 12756256 HYLLWBZKFITWBK-UHFFFAOYSA-N 377.448 2.658 0 40 GFAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3c(Cl)cnn3C)C2)on1 13226015 PKRRBHCGUXKCQO-SNVBAGLBSA-N 392.872 2.908 0 40 GFAB CN1[C@H]2CC[C@H]1c1sc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)nc1C2 247720553 ADQMXKMKPCQSDR-INWMFGNUSA-N 388.537 2.954 0 40 GFAB O=C1NC[C@@]2(CCCN(C(=O)CCCc3ccncc3)C2)Oc2ccccc21 19374754 HJPHROWTSFNXLL-JOCHJYFZSA-N 379.460 2.588 0 40 GFAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CCN(C[C@H]2CCCO2)CC1 19347150 VNZIJFPSGCLLIJ-MRXNPFEDSA-N 392.450 2.687 0 40 GFAB Cc1cc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)nc(N(C)C)n1 1889125019 QVNQCCMZKPXIQI-UHFFFAOYSA-N 384.381 2.731 0 40 GFAB COc1ccc2nc(C(=O)N3CCN(c4ccccn4)CC3)cc(OC)c2c1 1848525126 POCPPRIXQFIVSK-UHFFFAOYSA-N 378.432 2.609 0 40 GFAB CCc1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)N(C)C)cc1 26589946 OIKUIIBBCGGMNH-UHFFFAOYSA-N 384.432 2.512 0 40 GFAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cn2)C[C@@H](C)O1 30038027 ZCKVZCWIDNKTCI-IYBDPMFKSA-N 381.480 2.943 0 40 GFAB Cc1cc(Nc2nccs2)nc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 2037836173 RNKHFTFDRAUIRA-ZDUSSCGKSA-N 381.465 2.795 0 40 GFAB O=C(c1cscn1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840444 MTEBREBIQLVWDL-LJQANCHMSA-N 389.452 2.711 0 40 GFAB CC(C)c1nc(SC/C=C/c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4139015 UPLMLTYRUTVRPY-DHZHZOJOSA-N 382.489 2.956 0 40 GFAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(F)cc1F 4316209 GFNCCCOJZCMXGB-UHFFFAOYSA-N 384.302 2.573 0 40 GFAB COc1ccc(-n2nnc3c(=O)n(Cc4cccc(Cl)c4)cnc32)cc1OC 5057446 UKTYEZNNRLVNPX-UHFFFAOYSA-N 397.822 2.696 0 40 GFAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)NCc1ccccc1 8769606 SAUAXDJCZMOVAP-UHFFFAOYSA-N 377.444 2.767 0 40 GFAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 10233524 VHFOUJGVQCNOKH-CQSZACIVSA-N 379.464 2.786 0 40 GFAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccccc2C)c1=O 17317032 ICXFZRYOTDRQJN-UHFFFAOYSA-N 379.464 2.864 0 40 GFAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2csc(C)n2)C1 2055751139 LMSHMMKREMNSQJ-FQEVSTJZSA-N 388.537 2.661 0 40 GFAB Cc1nc(NCCNC(=O)Nc2ccc(F)c(Cl)c2)cc(-n2cccn2)n1 23144618 XGCFBMFISPWTKO-UHFFFAOYSA-N 389.822 2.997 0 40 GFAB O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCC2)o1 24841404 RYMVTPVVGLLIDL-UHFFFAOYSA-N 377.447 2.926 0 40 GFAB Cc1nc(S(=O)(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cn1C 219363120 VVAVLNGSLNWNRD-OAHLLOKOSA-N 387.477 2.876 0 40 GFAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2nsnc2c1 38600333 HUJCZLBRLABUFX-UHFFFAOYSA-N 381.505 2.633 0 40 GFAB O=C(NCc1nc2ccccc2[nH]1)C1CCN(C(=O)NCc2cccs2)CC1 42384871 CGWGQJORAGMEKV-UHFFFAOYSA-N 397.504 2.862 0 40 GFAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9035980 YAXUDWXKUUEALW-MRXNPFEDSA-N 388.489 2.725 0 40 GFAB COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC 6278461 FCJYMBZQIJDMMM-UHFFFAOYSA-N 399.375 2.550 0 40 GFAB in-vitro O=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCCC2)c1 6017352 PZWVVGZPTUNFHO-UHFFFAOYSA-N 398.488 2.668 0 40 GFAB CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)[C@@H](O)c1ccccc1 40120866 PASMLQNVVWHOBQ-NQIIRXRSSA-N 397.523 2.715 0 40 GFAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116786 IRZJDUNXZRINPQ-QGZVFWFLSA-N 385.386 2.635 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 10989695 JVAQZLPRRLNYDH-UHFFFAOYSA-N 397.866 2.892 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)cc1 3489616 LFTPHCQDESPDGK-UHFFFAOYSA-N 380.322 2.529 0 40 GFAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 3613204 NZOQOBSUAOYTDX-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB c1nc2c3c4c(sc3nc(SCCN3CCOCC3)n2n1)CCCC4 20476981 NYAHDFZLDGONSN-UHFFFAOYSA-N 375.523 2.642 0 40 GFAB CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 4965009 RMSCGGZWBXKJQN-OAHLLOKOSA-N 376.457 2.938 0 40 GFAB Cc1cc(O)c(C(c2ccc(N(C)C)cc2)c2c(O)cc(C)oc2=O)c(=O)o1 6714365 ZKDMGCJWQWOCMK-UHFFFAOYSA-N 383.400 2.867 0 40 GFAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 7562831 WUVTVFNZVNEYBW-FQEVSTJZSA-N 397.427 2.731 0 40 GFAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)c(C(F)(F)F)c1 32912714 MRLPMDRJCPLQRA-RDDDGLTNSA-N 398.200 2.618 0 40 GFAB Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc3oc(=O)ccc3c2)no1 32926295 QOXPRFVAITZEMI-UHFFFAOYSA-N 383.385 2.952 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccc(NS(C)(=O)=O)c1 32916601 SMFWKLHDWRNXQR-VIFPVBQESA-N 394.927 2.813 0 40 GFAB CCN(CC)C(=O)N1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 52727353 HUVXOTBOPULLPM-UHFFFAOYSA-N 375.517 2.735 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]23)cc1OC 102896774 UGZPMZDMNOZRFU-IEBWSBKVSA-N 380.400 2.613 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)oc3cc4c(cc13)CCC4)CS2 22299581 XOTPCPFXANNOQX-IERDGZPVSA-N 399.468 2.779 0 40 GFAB CCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC 22462074 SHSPJNZLNIXYKS-UHFFFAOYSA-N 376.497 2.859 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCN3CCOCC3)cc12 23424551 WVCMGKSFGLVORW-UHFFFAOYSA-N 388.468 2.597 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 23761877 ZQIOCTMLKHFADY-MRXNPFEDSA-N 390.487 2.944 0 40 GFAB CN1C(=O)c2ccc(NC(=O)COc3ccccc3Br)cc2C1=O 25526245 BKBPTIAGEIXOMY-UHFFFAOYSA-N 389.205 2.692 0 40 GFAB CC(=O)c1cc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)oc1C 25052731 QGYBLJCKWSVDFV-UHFFFAOYSA-N 378.450 2.612 0 40 GFAB CC(C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCc2ccccc2C1 25535809 VCUTVFIPBKNOJT-FQEVSTJZSA-N 390.487 2.736 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(C)c2)c1=O 57427274 VZKWADUIPRQGRC-UHFFFAOYSA-N 385.489 2.996 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2ccco2)C1 27336294 CACUPVZPYYAYRD-IAGOWNOFSA-N 385.464 2.678 0 40 GFAB Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCC3 2140227 SKLQXKRCRNCBBG-XIKOKIGWSA-N 387.432 2.583 0 40 GFAB biogenic COC(=O)c1ccc(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)cc1 58218254 WAGRFDOZAYWUKR-UHFFFAOYSA-N 375.388 2.618 0 40 GFAB O=C(COc1ccc(Br)cc1)N1CCN(c2nccs2)CC1 12747410 ICTZLUDMCXFMMH-UHFFFAOYSA-N 382.283 2.633 0 40 GFAB C[C@@H](NC(=O)c1ccco1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10769885 CMCISJXSEAIWST-OAHLLOKOSA-N 398.459 2.797 0 40 GFAB COc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)c2nccn2C)cc1 10750212 VNJXEGNDPSGVQY-HXUWFJFHSA-N 397.500 2.985 0 40 GFAB O[C@H](CN1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccc2c(c1)OCO2 48332201 DPVSLGPSBOQUTK-OAHLLOKOSA-N 396.274 2.973 0 40 GFAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cs1 48355436 KEDMPQCYLIBBII-HNNXBMFYSA-N 386.521 2.923 0 40 GFAB CCOC(=O)N1CCN(C(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 12877471 RGDSHYDJPPRSAF-UHFFFAOYSA-N 398.507 2.648 0 40 GFAB CC(=O)N[C@@H](C)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12865877 IBZIERFCLPYTII-INIZCTEOSA-N 376.460 2.739 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2cnn(C)c2C)sc(C)c1CC 13297131 MLODNFDOPDYCGU-UHFFFAOYSA-N 393.465 2.633 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 28209465 GYWDVODDUUOEED-GOSISDBHSA-N 386.473 2.930 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N(CCO)[C@]2(C)C[C@H]1c1ccccc1O2 4174426 KVCMLNPUHGIRPP-NBCNXNJRSA-N 380.444 2.667 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(C(C)(C)C)s1 65590798 BKAMADATSROQJL-LLVKDONJSA-N 381.523 2.921 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OC)c1 4643786 DVOJHKSYCJSMKF-HXUWFJFHSA-N 395.415 2.688 0 40 GFAB COc1cccc(C(=O)c2cnc3sc(C(=O)NC[C@H]4CCCO4)c(C)n23)c1 6664968 HEZKZTLCJGEBSZ-OAHLLOKOSA-N 399.472 2.853 0 40 GFAB CC(C)n1nccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6882221 FDPBNULPRVCPMR-OAHLLOKOSA-N 396.900 2.909 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 4966415 CASZISIMVBEWEI-YRNVUSSQSA-N 399.443 2.628 0 40 GFAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC 19934409 ADMMVOWZIJPRDY-UHFFFAOYSA-N 398.459 2.748 0 40 GFAB COCCCS(=O)(=O)NCCN(C)Cc1ccccc1-c1ccccc1 72310608 CPQXDLBFRFINAB-UHFFFAOYSA-N 376.522 2.741 0 40 GFAB O=C1C[C@H](c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)N2NC=NC2=N1 409375550 MJYOLOQCVFBBPN-OAHLLOKOSA-N 397.822 2.533 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77198142 WTKPQOHROMBURI-QMMMGPOBSA-N 397.325 2.935 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc(NC(=O)C(C)C)s2)cc1 35310829 YWOAAMHJEPINFK-UHFFFAOYSA-N 380.495 2.550 0 40 GFAB CC(C)Cn1c([C@@H]2CCCN2C(=O)CCCn2cnnn2)nc2ccccc21 524732545 OSDLWRRRRSQQKY-SFHVURJKSA-N 381.484 2.823 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124313 XFHABZIBOJQJEU-KRWDZBQOSA-N 395.415 2.982 0 40 GFAB biogenic COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 32109713 XAVVCGGMYMMXGN-BVTUPMQUSA-N 396.399 2.640 0 40 GFAB COc1ccc(CNC(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1OC 38489898 XDNDFUKKHUOSBD-UHFFFAOYSA-N 383.448 2.847 0 40 GFAB COc1cc(C(=O)N2[C@H](C(=O)O)COC23CCC(C)CC3)cc(OC)c1OC 71979851 DAIRJPLXQDCRHG-JGOZLAPISA-N 393.436 2.544 0 40 GFAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN([C@H](C)C(N)=O)CC3)c12 72336995 RIDYQOXCJAYZSK-OAHLLOKOSA-N 385.512 2.880 0 40 GFAB CC(C)(CO)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 44891354 YTKTYOJDMBGLKS-INIZCTEOSA-N 375.856 2.971 0 40 GFAB O=C(CCC(=O)Nc1ccc(-n2ccnc2)cc1)NCc1ccc2c(c1)OCO2 199419080 IHILWXXKYRCKDR-UHFFFAOYSA-N 392.415 2.636 0 40 GFAB COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 44791553 IHQVRGSNVSTVPM-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB COc1ccc2nc(CO[C@H]3CN(Cc4cccc(OC)n4)C[C@H]3F)[nH]c2c1 96112275 BLGIZKMIYNUWFO-QAPCUYQASA-N 386.427 2.714 0 40 GFAB biogenic,in-vitro CCOc1ccc([C@@H](N)c2n[nH]c(CNc3cccc(OC)c3)n2)cc1OC 95534263 PSYYYIFAPFVTOM-LJQANCHMSA-N 383.452 2.881 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)CCc1ccccc1)C2 96227403 XDHFDWXGNMNFHC-NFBKMPQASA-N 377.488 2.911 0 40 GFAB COc1ncccc1CN1CC[C@]2(C[C@H](OCc3csc(C)n3)CO2)C1 96218483 BGLHLMKQWQPXGM-HKUYNNGSSA-N 375.494 2.805 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c(Cl)c1 96395428 AQKLOKNRWDBEOE-AWEZNQCLSA-N 397.870 2.874 0 40 GFAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 527781824 ZDAVLCMDYQZQPR-OAHLLOKOSA-N 394.523 2.981 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 244032844 SUAAVYXCSIHUNE-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245230269 OMVZTPFBLLHGGN-VDVULAQNSA-N 396.418 2.516 0 40 GFAB COC(=O)c1ccc2nc(CNC(=O)Nc3cccnc3N3CCCC3)[nH]c2c1 585138437 PTVFDPSOOLKRIS-UHFFFAOYSA-N 394.435 2.666 0 40 GFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccncc2)CC1 257279698 OHTVACSHBOMVHV-MQSCRBSSSA-N 395.503 2.531 0 40 GFAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCC(F)(F)CC2)n1 604382164 IJIRLUXFRATRKI-BRSBDYLESA-N 383.483 2.668 0 40 GFAB biogenic,in-vitro O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCN[C@@H](Cc2ccc(F)cc2)C1 1630801463 GPZUHWVTWGQANG-SFHVURJKSA-N 382.414 2.807 0 40 GFAB CC(C)[C@@H](C(=O)N1C[C@H](CO)Cc2ccccc21)N1Cc2ccccc2C1=O 615119374 KBKUANDTGJBDSA-IERDGZPVSA-N 378.472 2.865 0 40 GFAB C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)N1CCc2sccc2C1 623634796 MCCNYDZGQJKHFL-XLIONFOSSA-N 398.576 2.918 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)c1n[nH]c2c1CCCC2 676020384 JYKNWFJXIRQMGB-KRWDZBQOSA-N 396.447 2.620 0 40 GFAB CCN1CCN(C(=O)CNC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183565 AYLFEHVRCIOULL-LJQANCHMSA-N 397.494 2.562 0 40 GFAB CCOc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCCC(=O)O)cc1 2105792 ZSVALJLSOFXGSV-XDJHFCHBSA-N 396.443 2.837 0 40 GFAB biogenic Cc1cccc(C2(O)CCN(C(=O)COc3ncnc4ccccc34)CC2)c1 12290218 CUTBOEFOFDRPBN-UHFFFAOYSA-N 377.444 2.827 0 40 GFAB CC1CCN(Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)CC1 12797139 HVPSUUDVQWPWNS-UHFFFAOYSA-N 390.484 2.883 0 40 GFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16021958 HLJFSDOUDBCMRB-IFGOHXFYSA-N 389.883 2.515 0 40 GFAB C[C@H](CC(=O)NCc1cccs1)CC(=O)N1CCN(c2ccccn2)CC1 18251030 ZBLGBQLZJCRHOZ-MRXNPFEDSA-N 386.521 2.524 0 40 GFAB c1cncc(CN(CCN2CCOCC2)Cc2cccn2-c2cccnc2)c1 19338667 UIDVJAZGRZCYMI-UHFFFAOYSA-N 377.492 2.602 0 40 GFAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19501891 CFTKGYMFAFACMO-PMACEKPBSA-N 384.528 2.511 0 40 GFAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 19588952 LROMGFURBLJGFW-GOSISDBHSA-N 394.475 2.603 0 40 GFAB Cc1ccc2nc(COCC(=O)Nc3nc(-c4cnn(C)c4)cs3)[nH]c2c1 19662352 IYQFJJFRSSFODD-UHFFFAOYSA-N 382.449 2.884 0 40 GFAB COc1ccc(CC(=O)N2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cc1 19687784 YAMKDZZRDFEQGQ-OAQYLSRUSA-N 390.443 2.690 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 19698141 KFXGIKBBWFMJAO-QFIPXVFZSA-N 394.519 2.884 0 40 GFAB CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1nccc3ccccc13)CC2 19706153 FSLSYYIVWDLYAG-SFHVURJKSA-N 390.491 2.682 0 40 GFAB O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1ccc(C(F)(F)F)cc1 206819033 SITQTOPMIIVDTI-LLVKDONJSA-N 377.413 2.719 0 40 GFAB Cc1cccc(CCC(=O)N2CCC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)n1 100137949 FEQVURHDWGBJDN-MRXNPFEDSA-N 379.464 2.786 0 40 GFAB O=C(Cc1noc2ccccc12)Nc1ccc(-n2ncc3c(O)ncnc32)cc1 591133210 AOIPQCMSCDUWEH-UHFFFAOYSA-N 386.371 2.844 0 40 GFAB Cc1ccn(-c2ccc(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)nn2)n1 1888875861 RYQIJEQCKWEQNJ-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB O=C(Nn1cnc2ccccc21)c1cn(-c2ccccc2Br)nn1 28896536 QENYQVIOKRTYEZ-UHFFFAOYSA-N 383.209 2.763 0 40 GFAB O=C(CN1CCN(C(=O)C2CC2)CC1)N[C@H](c1ccccc1)c1cccs1 35307831 YCMDHZDRLUVYDU-HXUWFJFHSA-N 383.517 2.508 0 40 GFAB O=C(Cc1ccccc1F)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037841106 WMZVSQQWVFVHGG-UHFFFAOYSA-N 382.435 2.793 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccccc4)cnc32)c(C)c1 4479276 HRKPCQNAYIZECF-UHFFFAOYSA-N 387.443 2.515 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(F)cc1 9853620 ZOKBNTBYPQDHMI-UHFFFAOYSA-N 379.438 2.702 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342516 GLGLJFLCXWYTIW-UHFFFAOYSA-N 393.443 2.806 0 40 GFAB COc1ccc(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 15880780 JLOIFONMMLPBCK-UHFFFAOYSA-N 383.429 2.808 0 40 GFAB O=C(NCCn1ccn2nc(-c3ccco3)cc12)c1ccc2nsnc2c1 206749980 TWSVSTGXFHNQLB-UHFFFAOYSA-N 378.417 2.831 0 40 GFAB C[C@@H](Cc1csc2ccccc12)NC(=O)C1CCN(S(C)(=O)=O)CC1 575621791 UQALBCREFWKYHY-ZDUSSCGKSA-N 380.535 2.620 0 40 GFAB COC(=O)c1ccccc1C(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575613786 UEZXLKFECGDSJH-CYBMUJFWSA-N 375.812 2.600 0 40 GFAB C[C@H](c1nc(C2CC2)no1)N1CCC(NS(=O)(=O)c2cccs2)CC1 40153435 OKXRZICEBIXHGI-LLVKDONJSA-N 382.511 2.512 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1nn(-c2ccccc2)nc1C 40159589 DWBPNOMHVKUICC-KRWDZBQOSA-N 378.432 2.878 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2F)CC1 30704392 QQAVBWPTAKTMMK-OAHLLOKOSA-N 385.439 2.619 0 40 GFAB CCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccc(F)cc2)c1=O 1087339 QABUMQMLGXVPCH-UHFFFAOYSA-N 379.457 2.646 0 40 GFAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)C1CCCCC1 3009229 QBEOHPUFYVLVJY-UHFFFAOYSA-N 377.441 2.959 0 40 GFAB CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC 4217021 VBWVFQIJCNAECD-GOSISDBHSA-N 386.565 2.936 0 40 GFAB CCn1nc(C)c(CN(C)S(=O)(=O)c2c(C)nn(C(F)F)c2C)c1C 36611145 KKETVRUAMHCVKX-UHFFFAOYSA-N 375.445 2.549 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 45644744 ORVMXSHSBFLIKK-ORAYPTAESA-N 377.400 2.818 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@@H]3C2=O)cc1 101592240 SCGQRHGURMXRJU-RDJZCZTQSA-N 384.775 2.558 0 40 GFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 6651261 UKAIDEAKXLCBTI-UHFFFAOYSA-N 383.473 2.633 0 40 GFAB CCOc1c(Cl)cc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1OC 6939429 ORACJEBIRYAUTN-KKNNLYGJSA-N 395.908 2.722 0 40 GFAB Cc1nc(Cc2nnc(SCC(=O)c3ccc4[nH]c(=O)[nH]c4c3)o2)cs1 7976289 HCANHUVWGIPLIG-UHFFFAOYSA-N 387.446 2.570 0 40 GFAB CCOc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450666 AKVDXHHXHLQYTO-UHFFFAOYSA-N 394.518 2.730 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCN1C(=O)[C@H]3CC[C@](C)(C1=O)C3(C)C)C2=O 101270946 BQQVNSIEULXIPZ-LPINMEDASA-N 388.508 2.609 0 40 GFAB COCCN(Cc1cccs1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 58325073 PZOYFPONBUSKSZ-UHFFFAOYSA-N 394.518 2.577 0 40 GFAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C(=O)O)C(C)C)ccc12 8739764 LGGQZCNWICHIPE-YVEFUNNKSA-N 375.421 2.657 0 40 GFAB biogenic O=C(NCc1ccccc1)[C@H]1CSCN1Cc1nnc(-c2ccccc2)o1 32809745 RLDJQXNSDSVNIF-QGZVFWFLSA-N 380.473 2.928 0 40 GFAB CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)no1 46125808 YCCILDORAZEDQS-OAHLLOKOSA-N 391.493 2.751 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(N(CC)CC)cc2)o1 22004072 RZTCTNGGXZFIBC-GFCCVEGCSA-N 391.497 2.909 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)cc1 101170871 NSVJBXXWSGHFDE-VAMGGRTRSA-N 377.444 2.621 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc2c(c1)OCCO2 22296753 CNQBLAVEILOBJK-OAQYLSRUSA-N 397.475 2.817 0 40 GFAB O=c1cc(CN2CCN(c3nc4ccccc4s3)CC2)nc2sccn12 29845734 VRSWWJVCIFKGBL-UHFFFAOYSA-N 383.502 2.688 0 40 GFAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCCCC1 24608303 PQVRVHGVNWZBGK-UHFFFAOYSA-N 384.929 2.894 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 55277930 UAIUBDICNDKACC-GOSISDBHSA-N 394.468 2.584 0 40 GFAB CCc1nc(S[C@@H](C)C(=O)NC(N)=O)nc(N)c1-c1ccc(Cl)cc1 25066169 NUKLHGHAPCEGCK-QMMMGPOBSA-N 379.873 2.617 0 40 GFAB COc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 25240754 SCMHWNQKNMUODT-MRXNPFEDSA-N 394.518 2.535 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC[C@H]1C1CCCC1 56033460 NTYRDOHEOBUMNQ-KRWDZBQOSA-N 393.505 2.803 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1 20799937 BCPXVLJVUNWEFR-OAHLLOKOSA-N 394.479 2.730 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1Cc2cc(Cl)ccc2O1 29845404 LMCFPFDUTVJBBR-DOTOQJQBSA-N 392.908 2.895 0 40 GFAB O=C(NC[C@H]1CCCO1)C1CCN(CN2C(=O)c3cccc4cccc2c34)CC1 26659866 IJUQJHCTFXNSPB-GOSISDBHSA-N 393.487 2.765 0 40 GFAB O=C(NCc1cn2ccccc2n1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 23754753 ZEGIBWJBGFVOQX-UHFFFAOYSA-N 398.413 2.781 0 40 GFAB C[C@@H]1c2ccsc2CCN1C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 25382583 GSMQBYSQWXUGMA-CYBMUJFWSA-N 375.494 2.839 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 10231775 JPHGSGFLEBXLQF-UHFFFAOYSA-N 382.489 2.818 0 40 GFAB COc1ccc(N2C[C@@](O)(c3ccc(OC)cc3OC)[N+]3=C2CCCC3)cc1 22407667 WPZFDNGIFFOFBR-JOCHJYFZSA-N 383.468 2.973 0 40 GFAB COc1ccc([C@H](CNC(=O)CCn2c(C)csc2=O)N2CCCC2)cc1 12778160 FOCVNFRQRGMDBN-SFHVURJKSA-N 389.521 2.570 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12799553 PXPPZWQFRSHFBT-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccccc2)C1=O 12948569 GAPBIYIUQPQVPY-PGRDOPGGSA-N 395.434 2.956 0 40 GFAB O=C(NCCSCc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 12927560 GFUQXSKUYHXPEK-UHFFFAOYSA-N 390.530 2.791 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 3847606 NUKWPDXDMGXCBV-IRXDYDNUSA-N 392.496 2.826 0 40 GFAB biogenic C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709957 ZWZMTINXVDAEFT-WMLDXEAASA-N 383.448 2.843 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)c1 39404223 NCFPCLPIICXUHL-GOSISDBHSA-N 393.365 2.965 0 40 GFAB C[C@@H](NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 6114119 YVYNTKQDNJQWPS-MRXNPFEDSA-N 380.444 2.843 0 40 GFAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 4436886 JBSCETREPBQTIT-SNVBAGLBSA-N 378.331 2.571 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H](C)NC(=O)c1cccc(C)c1 6609814 QSHCUXPYYFNUNZ-MRXNPFEDSA-N 397.475 2.609 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C(=O)[C@H]2C)cc1 6789488 UFQAXNNDHIHTGA-CYBMUJFWSA-N 381.388 2.520 0 40 GFAB C[C@@H]1O[C@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]12 4915502 MXUWHMHCDMMPKV-ZETOZRRWSA-N 379.840 2.701 0 40 GFAB O=c1c2cnc(NC3CCCCCC3)nc2nc(O)n1-c1ccc2c(c1)OCO2 67261533 ZMZFMRLEXYGXHA-UHFFFAOYSA-N 395.419 2.745 0 40 GFAB C[C@H](C(=O)O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 89598259 LEEILLUJALCKIJ-LLVKDONJSA-N 376.350 2.768 0 40 GFAB CC(=O)N[C@H](C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(C)C 72268460 DGGSYHPTTFXQKC-KRWDZBQOSA-N 399.472 2.856 0 40 GFAB O=C([C@H](c1ccccc1)n1cnnn1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72402600 PPSJSUGVAQKYGD-IBGZPJMESA-N 392.850 2.982 0 40 GFAB COc1cc(C)nc(C[S@](=O)CC(=O)NC2C3CC4CC(C3)CC2C4)c1 545225926 FPAHJAVBJIPCEK-MODOQBTCSA-N 376.522 2.588 0 40 GFAB CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1Br 408604534 KBKWEAKNWLXDCV-CYBMUJFWSA-N 385.283 2.814 0 40 GFAB Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 513600237 YBZCZQBJOQWPJQ-UHFFFAOYSA-N 378.367 2.547 0 40 GFAB CCc1cc(C(=O)N2CCOCC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 36621659 JKQXRSYOBICSFC-UHFFFAOYSA-N 380.448 2.772 0 40 GFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(NC(=O)CN2CCCC2)cc1 71288749 FROPVKWMSIYPJO-UHFFFAOYSA-N 381.432 2.600 0 40 GFAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218482391 SJKWFDKKFKNNHK-RYRKJORJSA-N 380.849 2.651 0 40 GFAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 38752702 GARXEJMSRPHZHC-CQSZACIVSA-N 394.468 2.647 0 40 GFAB CCSc1nc2n(n1)[C@H](c1cnn(C)c1)[C@@H](C(=O)Nc1ccccc1)[C@H](C)N2 36621372 CUODOWOBTTYGSB-VBNZEHGJSA-N 397.508 2.782 0 40 GFAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC(C(=O)O)CC3)c2c1 36358516 JJCYIQMCBNCCCM-KRWDZBQOSA-N 387.436 2.685 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)s1 217778395 HFKPYUWJFXCKBY-UHFFFAOYSA-N 396.534 2.550 0 40 GFAB Cc1ccccc1NC(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70933703 YEQCSBJEKHLVRG-UHFFFAOYSA-N 388.493 2.612 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(F)cc3F)c3ccccc3n12 64871645 WIRCSEXKOOVZTP-UHFFFAOYSA-N 397.385 2.914 0 40 GFAB COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(F)c2)n1)c1ccc(OC)cc1 562159513 SCDXCAZEZFRZRM-IBGZPJMESA-N 397.406 2.973 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 41085468 BWFVZKGPRTWIAS-UHFFFAOYSA-N 392.437 2.755 0 40 GFAB CCc1cc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC 223889291 IIRKASUKUZUGSH-CYBMUJFWSA-N 397.518 2.701 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1 225324207 VXGCZAHHCQKHSU-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NC2CCCC2)s1)c1ccccc1Cl 222769681 JPCZGZIDYHSLAC-UHFFFAOYSA-N 386.886 2.665 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3F)c2)n1 47328437 LCUZZEXCNBBVIN-UHFFFAOYSA-N 395.362 2.963 0 40 GFAB COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1Cl 223039604 LGXNGYPVLMWPAI-UHFFFAOYSA-N 394.880 2.802 0 40 GFAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224815048 DUTUCVKXJYITOO-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB Cn1nc(-c2ccccc2Cl)cc1C(=O)NCCc1nnc2ccccn12 95478949 VYHIIEVPLGDSHQ-UHFFFAOYSA-N 380.839 2.756 0 40 GFAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)Nc3ccc(F)cc3)CC[C@@H]21 96251550 XHLZZYNYIMIADF-ZWKOTPCHSA-N 397.516 2.577 0 40 GFAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96215015 TWAYYZAJRICNIS-INIZCTEOSA-N 390.427 2.736 0 40 GFAB COc1ccc([C@H]2C[C@@H](NC(C)=O)CC3(CCN(C(C)=O)CC3)O2)c(F)c1 257319958 VUTRVEFQJPDOCM-DNVCBOLYSA-N 378.444 2.572 0 40 GFAB CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)C4CCC4)C3)ccc2c1N 257273486 NGTXUQYJABDBRZ-HXUWFJFHSA-N 386.521 2.918 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](Cc3cncc(-c4c(C)noc4C)n3)C2)cn1 257308111 TVLQCAPZCICVHK-OAHLLOKOSA-N 378.436 2.552 0 40 GFAB Cc1ccc(-n2ccnc2SCC(=O)N2CCN(c3ncc[nH]3)CC2)cc1C 655031414 WIMKOVVHYRIMMN-UHFFFAOYSA-N 396.520 2.653 0 40 GFAB C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)c1)n1cccn1 663072042 ZCEKLZAFAPCRES-BOLFOIPXSA-N 396.447 2.912 0 40 GFAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccccc1-c1c(F)cccc1F 666812796 KBGWHPMSTSDKHX-HOTGVXAUSA-N 396.415 2.565 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1 390831935 WBWZFLHKKMHHOD-UHFFFAOYSA-N 384.457 2.992 0 40 GFAB O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 96098321 GOBNUOUXVSKUMZ-DUVHGLKDSA-N 391.514 2.925 0 40 GFAB CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 585269600 ALXIQMVVPBITKH-HXUWFJFHSA-N 377.435 2.642 0 40 GFAB CN(CCNS(=O)(=O)c1ccc(Br)s1)c1ccccc1 13613410 GJZUBUDFNLAXCT-UHFFFAOYSA-N 375.313 2.925 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)CCC(=O)N3CCc4sccc4C3)C2)n1 54122312 MTHCBMKDXHUUIZ-OAHLLOKOSA-N 388.493 2.511 0 40 GFAB O=C(CCNC1CCN([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1 655704526 DYCQDTKVXBFYMR-QGZVFWFLSA-N 396.329 2.621 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)Cn3ccnc3C)C2)n1 12115925 OBPZMKPLUNVMIC-SFHVURJKSA-N 376.464 2.758 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NC[C@H](c3ccccc3)N3CCCC3)cnc12 13002710 GPYBPMSJDRIDKY-HXUWFJFHSA-N 390.487 2.658 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 13005490 SAAYCUCYAUYYLH-SFHVURJKSA-N 376.453 2.595 0 40 GFAB CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1cc(F)ccc1OC 13581114 XBXOPIDYBSXFIK-UHFFFAOYSA-N 398.500 2.852 0 40 GFAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2nnn[nH]2)cc1 14168388 CVJWKPMICTZBNU-UHFFFAOYSA-N 386.415 2.731 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 14463038 DGOSCZQBLLDDTG-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19210867 PVFLDTCQRHDXHJ-ROUUACIJSA-N 394.519 2.946 0 40 GFAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc[nH]2)cc(N(C)C)n1 19240886 ZPLXXCNONIGGKX-QGZVFWFLSA-N 389.463 2.769 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c(C)c1C 19556168 RKZNSZRKKUNESD-KBXCAEBGSA-N 396.539 2.601 0 40 GFAB CNc1cc(CNC(=O)c2c(OC)cccc2OC)nc(-c2ccncc2)n1 19592331 PEXVYYKOQIZWJC-UHFFFAOYSA-N 379.420 2.528 0 40 GFAB COc1nn(CC(=O)NCCCc2ccc(Cl)cc2)c(=O)c2ccccc12 19594896 YFYPRUYVCWPWCY-UHFFFAOYSA-N 385.851 2.808 0 40 GFAB Cc1cc(C)nc(N2CCO[C@@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)n1 19692548 XFXLHJXGXSAYPW-HXUWFJFHSA-N 389.459 2.832 0 40 GFAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)CCc2ccno2)C1 12238981 DIQPBXKTJIRUQA-HNNXBMFYSA-N 378.436 2.684 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CCn4nc(C5CC5)cc4C3)CC2=O)cc1C 390831184 QHXBJHZVJXWOJI-QGZVFWFLSA-N 378.476 2.773 0 40 GFAB Cc1c(NC(=O)COc2ncnc3sccc23)c(=O)n(-c2ccccc2)n1C 2663982 XQRFYVVJBVXXHG-UHFFFAOYSA-N 395.444 2.507 0 40 GFAB Cc1cccc(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1 7134303 KLNWCXBRYLOEJL-ZDUSSCGKSA-N 379.507 2.760 0 40 GFAB CCOc1ccc(CN(CC)C(=O)CNC(=O)NCc2ccccc2)cc1OC 12907727 MLAOGTMWDHJEKH-UHFFFAOYSA-N 399.491 2.942 0 40 GFAB Cc1nc(N2CCN(c3nc(C4CC4)nc(C)c3F)CC2)c2ccncc2n1 1888903938 JBRDMZINIWEMBU-UHFFFAOYSA-N 379.443 2.775 0 40 GFAB CCc1c(C)nc(C2CC2)nc1N1CCN(c2c(C)c(C)nc3ncnn23)CC1 1888909573 YBMANNQCWQWZHN-UHFFFAOYSA-N 392.511 2.606 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)C1CCN(C(=O)c3ccoc3)CC1)OCO2 28278570 NRFGKTLBHPSBDM-UHFFFAOYSA-N 384.388 2.702 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N 4585993 MCBKKDWUMYFQDK-UHFFFAOYSA-N 375.479 2.850 0 40 GFAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1cc(OC)c(OC)c(OC)c1 10256322 OFWYVQKWJZMBTM-INIZCTEOSA-N 399.447 2.812 0 40 GFAB COc1cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 12391694 BDSVQUNSEPHRDA-UHFFFAOYSA-N 399.852 2.778 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2nccs2)cc1 15391253 OCYHYDXCBMOLOV-ZDUSSCGKSA-N 395.506 2.724 0 40 GFAB O=C(Cc1cccs1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751442 YYAJDDFUAMMBMV-UHFFFAOYSA-N 383.517 2.996 0 40 GFAB O=C(CSc1ccc(F)cc1)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707321 QUTRRCMCQFYKHV-UHFFFAOYSA-N 388.464 2.958 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]32)c1 101260804 WDQZGRMUVKQWMB-ROUUACIJSA-N 380.404 2.818 0 40 GFAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)C(=O)Nc1ccc(F)c(F)c1 206687591 QOBISKXXZFJORS-MRXNPFEDSA-N 392.383 2.956 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1 225565674 MWUANGHDHYTLMC-UHFFFAOYSA-N 393.915 2.594 0 40 GFAB Cc1ccc(NC(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1C 575611968 JGLKJJLQKAJLSE-UHFFFAOYSA-N 392.456 2.765 0 40 GFAB Cc1cc2ncc(C(=O)N[C@H](CCN3CCCCC3)c3ccccc3)c(N)n2n1 19715599 GCSNRYDEGUJZBB-LJQANCHMSA-N 392.507 2.967 0 40 GFAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)o1 40018264 AFXZKKRJLMPAJO-SNPIWTPDSA-N 399.535 2.963 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 16261926 UGXKUZICXAVOQC-INIZCTEOSA-N 388.880 2.771 0 40 GFAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1cccs1 11292364 XOLHMRAQBYZADX-MAUKXSAKSA-N 385.489 2.725 0 40 GFAB CC[C@@H](C)NC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@H]2SC1(C)C 4081096 FNAYHWOEEFYCAK-QEIWDELWSA-N 378.494 2.967 0 40 GFAB biogenic Cc1cc(=O)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)nn1-c1ccccc1 8074063 FSRPTTPPFUXNSC-UHFFFAOYSA-N 388.427 2.685 0 40 GFAB COc1cccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c1OC 100158949 KIGDBJAZSGSPAU-GASCZTMLSA-N 395.463 2.845 0 40 GFAB COc1cc(C(=O)NCC(=O)NC(C)(C)C)ccc1OCc1c(C)noc1C 9917624 QAJSZMZOFJTGFA-UHFFFAOYSA-N 389.452 2.524 0 40 GFAB COc1cccc(-c2cc(C(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)[nH]n2)c1 101404264 ZSYDXUJUQQCHLR-GDBMZVCRSA-N 390.443 2.507 0 40 GFAB Cc1csc2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)n12 22983341 KIEMOIJKLPIFED-UHFFFAOYSA-N 375.759 2.947 0 40 GFAB COc1ccc(Br)cc1/C=C/C(=O)NCC(C)(C)N1CCOCC1 23425911 COIZKUDJRQJACH-QPJJXVBHSA-N 397.313 2.698 0 40 GFAB Clc1ccc(Cl)c(OCCN2CCN(c3ccc4nncn4n3)CC2)c1 106092880 SMDVHNPTCNOFMS-UHFFFAOYSA-N 393.278 2.632 0 40 GFAB COC(=O)c1sccc1NC(=O)CN1CCC([C@@H](O)c2ccccc2)CC1 25057149 SVNUEKGWOKNTOL-SFHVURJKSA-N 388.489 2.919 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)cc1 12522863 JSEJPQXGYMXNGS-UHFFFAOYSA-N 388.489 2.894 0 40 GFAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cncc(Br)c1 55840963 SNNWQZMKYIBRHK-UHFFFAOYSA-N 378.226 2.807 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1Cc2cc(Cl)ccc2O1 29845397 LMCFPFDUTVJBBR-WBVHZDCISA-N 392.908 2.895 0 40 GFAB Cc1ccccc1C1(CNC(=O)Cn2cnc3sccc3c2=O)CCOCC1 56364538 IFWCJSYIFDSKDR-UHFFFAOYSA-N 397.500 2.631 0 40 GFAB O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc(F)cc1F 58008069 HYCNYCGPOOCNHV-UHFFFAOYSA-N 376.403 2.606 0 40 GFAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 58194086 KEVFJILBAKCXKN-QGZVFWFLSA-N 393.468 2.827 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 27594536 LENBNVUKJOMHGX-AEFFLSMTSA-N 387.455 2.690 0 40 GFAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC(N3CCCCC3)CC2)cs1 58268433 MCTVLDSHAOGJQA-UHFFFAOYSA-N 378.542 2.757 0 40 GFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC1(c2ccccc2C)CCOCC1 58209777 FWDGAUCTUFMVAZ-SJORKVTESA-N 375.513 2.646 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)nc1n2CCN(C)C1 36354413 BAZPEPNYURDXSZ-FQEVSTJZSA-N 394.431 2.780 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)ccc2OC)c1C 3302977 UWUUPUXYVYJRJY-UHFFFAOYSA-N 388.420 2.921 0 40 GFAB Cc1sc2nc(CSc3nnnn3-c3ccc(O)cc3)[nH]c(=O)c2c1C 3341646 HVVLZKIGIUBPCI-UHFFFAOYSA-N 386.462 2.575 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(C)(C)C)cc1 12793818 XOQYUDJFJZNFSU-UHFFFAOYSA-N 379.482 2.848 0 40 GFAB O=C1NC2(CCCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1 8273720 GQXOCLBXZYYVEG-UHFFFAOYSA-N 387.455 2.962 0 40 GFAB CC(=O)c1cccc(OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c1 12757731 XNGUUTNRVKPKHH-KRWDZBQOSA-N 389.473 2.929 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1cccc(Cl)c1 8274161 QQCNHDDOLAZYPL-UHFFFAOYSA-N 377.872 2.644 0 40 GFAB Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)coc2c1 3421449 DSNGKQWVFOHYFY-UHFFFAOYSA-N 379.372 2.635 0 40 GFAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 4066266 YLWBQEWYOZWUHO-LJQANCHMSA-N 382.416 2.945 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 6052154 RPEMJERXWCIMSU-RTWAWAEBSA-N 398.528 2.957 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc(F)c1 5065571 HBNGTLOTIJVEOK-IAQYHMDHSA-N 378.425 2.664 0 40 GFAB CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC[C@@H]4CCCO4)c3)c2)n1 65251001 CUTJQKIUSXBSAN-AWEZNQCLSA-N 396.451 2.524 0 40 GFAB O=C(c1ccccc1Cl)N1CCN(CC(=O)N2CCc3ccccc32)CC1 18933391 AKZQCNLCBLXXIW-UHFFFAOYSA-N 383.879 2.687 0 40 GFAB COc1ccc(C2=NN(c3nc(C(=O)O)cs3)[C@](O)(C(F)(F)F)C2)cc1 5244313 UPMXIGWXQKVXHL-CQSZACIVSA-N 387.339 2.715 0 40 GFAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc(Br)cc2Cl)n1 6315561 MCXOVPOWLQXPON-UHFFFAOYSA-N 391.678 2.815 0 40 GFAB COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc(OC)c1O 4519961 QFAOYPTXFCKKDR-CQSZACIVSA-N 399.374 2.880 0 40 GFAB Cc1nnc(SCC(=O)NC(=O)Cc2ccccc2)n1Cc1ccccc1 6542555 QXCIUKQXXOPUAP-UHFFFAOYSA-N 380.473 2.612 0 40 GFAB CN(Cc1ccccc1Br)C(=O)Cc1n[nH]c(=O)c2ccccc12 15380076 VJMMDOUHJGSYCS-UHFFFAOYSA-N 386.249 2.887 0 40 GFAB CSc1nc2cc(C)n(CC(=O)Nc3cc(C)on3)c2c(=O)n1CC(C)C 67319890 PMQBUFZMIHSEQP-UHFFFAOYSA-N 389.481 2.819 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@]12CN(C1CCC1)C[C@@H]2c1cccnc1 306141423 VVQFIAMMUKICLE-CTNGQTDRSA-N 383.517 2.893 0 40 GFAB Cc1nn(C)cc1[C@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 68156535 HOJPXMGDEMXXFH-LBPRGKRZSA-N 399.520 2.646 0 40 GFAB Cc1ccc2c(COC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc(=O)oc2c1 9161752 QYUIMPYKCMHJMK-IRXDYDNUSA-N 397.427 2.710 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 96013992 XRAXHXIJSUSRBV-HRCADAONSA-N 388.464 2.720 0 40 GFAB CCCSc1nsc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)n1 9582796 OYVVKFFWFWHKSJ-CYBMUJFWSA-N 378.479 2.793 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1F 20768490 WKYRIWJGZXOTMD-UHFFFAOYSA-N 380.416 2.679 0 40 GFAB CC[C@@H](C(=O)NCCCC(C)(C)CO)n1nnc(-c2ccc(Cl)cc2)n1 84718727 JHYCFPJJDUNXOE-HNNXBMFYSA-N 379.892 2.860 0 40 GFAB C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)[C@@H](O)c1ccc(Cl)cc1 95972132 PFQLSBMXIJPTPH-BDJLRTHQSA-N 391.880 2.740 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1OC 408602823 JDNYRCRRFXOHMA-UHFFFAOYSA-N 392.477 2.951 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38731260 INDWERZJHDJCEU-HUUCEWRRSA-N 388.464 2.741 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 33736561 JPFUYJJEXSFFJQ-CYBMUJFWSA-N 384.395 2.869 0 40 GFAB Cn1c(-c2ccccc2)cnc1NC(=O)C[C@@H]1NC(=O)N(C2CCCCC2)C1=O 36752180 ZRLUBESZLCSFKD-INIZCTEOSA-N 395.463 2.669 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(CO)CO 218474130 HVOACNFBDFSBJO-CVEARBPZSA-N 387.284 2.904 0 40 GFAB CCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 39985223 FDMUIQNBLSRICX-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB CCN1CCN(S(=O)(=O)c2c(C)c(C)cc(Br)c2C)CC1 72414521 PJCPBOOGGKCRIM-UHFFFAOYSA-N 375.332 2.701 0 40 GFAB Cc1cc2ncn(C[C@@H](O)CN3CCN(c4cccc(O)c4)CC3)c2cc1C 132833441 VLVBKNDJBWOQJA-FQEVSTJZSA-N 380.492 2.542 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 222918914 RBFPMQTXPVPJOI-HUUCEWRRSA-N 376.478 2.727 0 40 GFAB CSc1cccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3nscc32)c1 49403868 BPCNZQRSUYWMIN-UHFFFAOYSA-N 390.490 2.561 0 40 GFAB CC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(OC)c(OC)c1 224169455 AOLXOOOQMBXHGI-MRXNPFEDSA-N 393.461 2.920 0 40 GFAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 44901974 LQIWTDPLAVSMAK-UHFFFAOYSA-N 396.834 2.559 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1ccnn1CC(F)F 572349280 WRMDZJZMXBORAH-UHFFFAOYSA-N 390.434 2.502 0 40 GFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1 225352087 QIKYWWBJALZOBD-UHFFFAOYSA-N 378.838 2.726 0 40 GFAB COc1ccc(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1F 225781296 LRHMDGMKYDLAAT-UHFFFAOYSA-N 387.798 2.694 0 40 GFAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222762696 XEINWLFWHZABOD-GHTZIAJQSA-N 380.488 2.942 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 225474606 IKDPCESYGPAJLL-UHFFFAOYSA-N 378.519 2.654 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 98212475 MQNMSQFOYXDPNX-DLBZAZTESA-N 397.822 2.580 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227410 BWPDGZXNIDFHSE-SIKLNZKXSA-N 381.451 2.660 0 40 GFAB COc1ccccc1-c1cc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)[nH]n1 253403873 QPKBQVZTSTVKFE-IBGZPJMESA-N 388.431 2.848 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 250674319 ONYCNNRYPLGFAB-CJNGLKHVSA-N 378.856 2.555 0 40 GFAB CCN(CC)CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253596509 SBJVCDHWJCQQIQ-VIRUWPMXSA-N 399.535 2.789 0 40 GFAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1(n2cnnn2)CCOCC1 621335432 MNNSQNGUOPLHHI-UHFFFAOYSA-N 396.432 2.687 0 40 GFAB CCCN(Cc1ccccc1Br)C(=O)NC[C@@H]1CCCNC1=O 656391466 VKODAJMXLRDINO-ZDUSSCGKSA-N 382.302 2.897 0 40 GFAB CC[C@H]1CN(Cc2cnn3c2CCC3)[C@@H](CC)CN1Cc1cnn2c1CCC2 667713370 CXGCWZSQPAGLRS-PMACEKPBSA-N 382.556 2.847 0 40 GFAB O=C(c1cc2c(OC(F)(F)F)cccc2[nH]1)N1CC[C@H](CN2CCOCC2)C1 1252135017 XXYSEGZISVRKNI-CYBMUJFWSA-N 397.397 2.861 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 390831136 PUXOSIKBJQOEHS-ZDUSSCGKSA-N 376.459 2.536 0 40 GFAB C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cn(C(C)(C)C)nn1 483340573 LAUAWKVTTRNJCP-OAHLLOKOSA-N 391.541 2.766 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1nn(C2CCCC2)c2c1CCCC2 96103955 FPYUUTFOEXXWAK-UHFFFAOYSA-N 391.541 2.706 0 40 GFAB Cc1cc2ncc(C(=O)N3CCC(c4ncc(C(=O)O)s4)CC3)c(C)n2n1 630241607 BKMXEOXYMXYSAM-UHFFFAOYSA-N 385.449 2.521 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OC)N(C)C1=S 8091407 KMYHDNZSNBALBY-WZUFQYTHSA-N 389.260 2.575 0 40 GFAB Cc1onc(C(=O)NC2CCN(Cc3cccc(F)c3)CC2)c1Cn1cccn1 12201795 AWNMJTQFSDCFAN-UHFFFAOYSA-N 397.454 2.761 0 40 GFAB COc1ccc(C(=O)NCN2CCN(c3cccc(Cl)c3)CC2)cc1OC 12371199 NRUMXFTUAXPQRS-UHFFFAOYSA-N 389.883 2.867 0 40 GFAB biogenic,in-vitro Cc1cc2nc([C@H](C)NC(=O)[C@@H](C)n3nc(C(F)F)cc3C)cc(O)n2n1 19129626 DXGSPNQCBLZSCR-WDEREUQCSA-N 378.383 2.624 0 40 GFAB Cc1ccc2nc(C(=O)Nc3ccc(CN4C(=O)NC(C)(C)C4=O)cc3)cn2c1 19234356 LQKJHOPQQPQDLK-UHFFFAOYSA-N 391.431 2.725 0 40 GFAB NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19344574 NODVEOOOPHUXKU-UTKZUKDTSA-N 384.501 2.841 0 40 GFAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccccc2)CC1 19371807 IZJYKLHSLMINMS-UHFFFAOYSA-N 381.501 2.999 0 40 GFAB CN(C)Cc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)OCCO3)nn1C 19709119 KIDUNZAWIBOYKG-GOSISDBHSA-N 384.480 2.620 0 40 GFAB CN1CCc2nnc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2CC1 19710791 MJSZCLKFPPKFEK-SFHVURJKSA-N 385.487 2.592 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 169293324 YEFCTMCIJSAHED-FBTNWIDXSA-N 377.227 2.691 0 40 GFAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)CC1 6308140 KLVNXTCHPVEXJC-XNTDXEJSSA-N 389.433 2.890 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2cccnc2)Nc2ccccc21 100117538 UAARTRUKUQQSSF-QKZPVBNUSA-N 376.460 2.686 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2c(Cl)cnn2C)c1C 12159808 RIVGVMVJIWYRJD-CQSZACIVSA-N 385.921 2.904 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12407976 UXJCFXNGLWFRQA-UHFFFAOYSA-N 382.395 2.925 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)CCn3nc(C)nc3C)C1)O2 13227480 GTXMGLXEXYMFHA-LAUBAEHRSA-N 396.491 2.866 0 40 GFAB CCOc1ncccc1C(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 253406314 UJUJBRVGUPZDLN-UHFFFAOYSA-N 395.507 2.856 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC(COc3ccncc3C)CC2)c1 1889214018 BQNSDWSZIGDULJ-UHFFFAOYSA-N 376.478 2.878 0 40 GFAB COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)cc1 4036002 OCBVGXAZTADOLO-IBGZPJMESA-N 387.461 2.764 0 40 GFAB Cn1c(=O)c2c(SCc3ccccc3)nc(-c3ccco3)nc2n(C)c1=O 4139160 KNPURASNYOTMSS-UHFFFAOYSA-N 380.429 2.580 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195847 PMRHHLFWZAKGPE-AWEZNQCLSA-N 387.823 2.673 0 40 GFAB CCCOc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)nc(C)n1 12224101 RUXFOCNQDGDRRZ-UHFFFAOYSA-N 385.468 2.937 0 40 GFAB COc1ccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)cc1 15082258 CYBRMKMZVAFPIO-UHFFFAOYSA-N 379.391 2.843 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]2OCC[C@H]21 2055772631 HKSBNLYIWLGKFE-RCCFBDPRSA-N 388.851 2.727 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)N2CCOCC2)cc1 23107983 CIXPMHAIUMMZKS-NRFANRHFSA-N 388.533 2.530 0 40 GFAB Cc1cc(-c2ccncc2)nn1CCNC(=O)c1cncc(Br)c1 217867928 HEMQLIPMEQUTAW-UHFFFAOYSA-N 386.253 2.841 0 40 GFAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4cc(C(C)(C)C)no4)C3)ncn2)n1 575608491 GEDFZNOWCQWXGU-UHFFFAOYSA-N 395.467 2.640 0 40 GFAB CCn1cc(-c2noc(CNS(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)cn1 575617236 RIAPIMLUDHGMHB-UHFFFAOYSA-N 389.481 2.665 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Oc2ccncc2Cl)C1 575613066 OIXZVXPNOQMKSD-ZDUSSCGKSA-N 387.823 2.713 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](CCO)c2ccsc2)cc1 575621519 PATVJAJEACPLCI-ZDUSSCGKSA-N 398.506 2.761 0 40 GFAB O=c1/c(=C/c2ccc(Br)cc2)sc2nc(-c3ccncc3)nn12 15228543 GLSWSKYWGXYUOB-LCYFTJDESA-N 385.246 2.523 0 40 GFAB Cc1ccc(N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F 7388921 WDJZRCVVDUVJEH-ZDUSSCGKSA-N 379.457 2.824 0 40 GFAB CCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 879456 YYMYSVLCMUOJGM-KRWDZBQOSA-N 389.521 2.802 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cc(C)n(C)c2C)cc1 4285392 YFHBSPSWYRBHLT-UHFFFAOYSA-N 377.462 2.540 0 40 GFAB CCN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O 6951863 BNKIAWHSCOUXKA-LFIBNONCSA-N 383.379 2.756 0 40 GFAB CC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 7429481 ZZKDUQBYQUSGFT-INIZCTEOSA-N 394.427 2.732 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2CC(C)C)cc1 7845188 GUOXZDDHIIEYNC-AWEZNQCLSA-N 389.525 2.780 0 40 GFAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2F)cc1 8617292 LQGFOBCSDYBDQQ-AREMUKBSSA-N 380.416 2.853 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1NS(C)(=O)=O 32771557 WFQDBHRZBISNBU-NSHDSACASA-N 381.429 2.645 0 40 GFAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1 7560905 WLXHBPIYNUUMQU-QFIPXVFZSA-N 394.427 2.768 0 40 GFAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc2c(c1)OCCO2 10755570 BOCOGWLBNBYJNH-UHFFFAOYSA-N 397.431 2.517 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)N4CCCN4[C@H]3C2=O)cc1 102682351 PMGMAXXAGFTQNO-NJDAHSKKSA-N 391.471 2.929 0 40 GFAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 102625837 QAGUXRWQZDNBFH-FPCVCCKLSA-N 392.242 2.905 0 40 GFAB CN(C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)C1CCCC1 20104343 WAKBINXPPPHKRT-UHFFFAOYSA-N 389.315 2.616 0 40 GFAB CCN(CC)CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 22704593 IYYHQSBJDAXKTA-UHFFFAOYSA-N 396.413 2.631 0 40 GFAB O=[S@@]1c2ccc(Cl)cc2C[C@@H](N2CCN(CCO)CC2)c2ccccc21 22861404 HXFVEGJUJYYZBI-DWXRJYCRSA-N 390.936 2.714 0 40 GFAB Cc1nc(-c2ccccc2)c(C(=O)N2CCN(CCN3CCCC3)CC2)s1 23258132 UVOSYCSWRSKFMB-UHFFFAOYSA-N 384.549 2.972 0 40 GFAB O=C(O)CCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 12297102 AZGZBRGHUHFKAS-UHFFFAOYSA-N 397.383 2.525 0 40 GFAB biogenic CCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21 1007340 KTQXHMCTPUMOBD-QGZVFWFLSA-N 375.222 2.671 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](c3nc(O)cc(-c4cccnc4O)n3)C2)c1 100745132 VBDZYQGVKWPJPN-AWEZNQCLSA-N 392.415 2.588 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(-c3ccco3)s2)cc1NS(C)(=O)=O 24716409 ZXKMKLALRWHKNY-UHFFFAOYSA-N 378.435 2.730 0 40 GFAB COCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2cc(Cl)ccc21 24828774 QJTZIVYSPRPJMX-CYBMUJFWSA-N 383.901 2.723 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc3nc(N)sc3c2)cc1 24978369 AOSIWTSZFANJAH-LLVKDONJSA-N 385.445 2.749 0 40 GFAB CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 106434691 DNVXHEGGXAQVPX-NRFANRHFSA-N 385.552 2.847 0 40 GFAB NC(=O)c1c(NC(=S)NC(=O)COc2ccccc2)sc2c1CCCC2 1794641 XYFLGMOFBZEDJP-UHFFFAOYSA-N 389.502 2.618 0 40 GFAB COc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1OC(F)F 44249036 FNRXUGYLMIXOIT-CYBMUJFWSA-N 397.399 2.945 0 40 GFAB O=C1[C@H](n2cnnn2)[C@H](c2ccc3c(c2)CCO3)N1Cc1ccc(Cl)cc1 58152014 RTFBWEKOIGZHJJ-ZWKOTPCHSA-N 381.823 2.586 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3csc(NC4CC4)n3)sc2c1 36365855 IAFSLIKAUVKVPV-UHFFFAOYSA-N 394.503 2.983 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)NC[C@@H]4CCCO4)c(=O)c23)s1 7671918 ZXSNTAUQRBMJBK-LBPRGKRZSA-N 389.502 2.790 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 3341375 ZYQQRTZMDHEDSJ-LBPRGKRZSA-N 382.441 2.865 0 40 GFAB O=c1[nH]c2ccccc2n1CCCSc1nnc(NC[C@@H]2CCCO2)s1 12804569 GQVDWRNMVWNVKL-LBPRGKRZSA-N 391.522 2.954 0 40 GFAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cnc(C)cn3)c2)cc1 7778470 NGXDJVAIOWWDRR-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB Cc1cc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833579 YIBCAJJJTAVXTN-UONOGXRCSA-N 378.519 2.636 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1 7979078 RQKNEPRYSMGTCA-UHFFFAOYSA-N 392.521 2.693 0 40 GFAB Cc1csc(=O)n1CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8073808 HYCIUUGZILRHHX-UHFFFAOYSA-N 383.477 2.842 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 5043090 XTSZUUWVFHBPQK-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3ccc(CSC)cc3)C2=O)cc1 8036804 WKWTXPWWZDRKAH-HXUWFJFHSA-N 399.472 2.670 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccccc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 4393481 YBRYGQYXAMAWIA-CVEARBPZSA-N 392.864 2.961 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261682 QJAZFGRAUQLZIN-GDBMZVCRSA-N 397.566 2.653 0 40 GFAB COc1ccc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 5216833 TYGFJELPZZHCLB-LBPRGKRZSA-N 387.388 2.659 0 40 GFAB COc1cccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)c1 5428887 YEZGQMFWUREQRN-HSZRJFAPSA-N 394.471 2.946 0 40 GFAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14265807 YENOWFGMPUGHAE-SNVBAGLBSA-N 388.424 2.694 0 40 GFAB CC(C)[C@@H](C(=O)OCC(=O)N(C)c1ccccc1)N1C(=O)c2ccccc2C1=O 6539166 HAQZJRVMJLZKLR-IBGZPJMESA-N 394.427 2.513 0 40 GFAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCC(C)CC1 4872206 RDXGWTQVBXNKEE-KVZIAJEVSA-N 397.629 2.899 0 40 GFAB CCc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 4815370 LSTQGWGYMGLBSE-CQSZACIVSA-N 376.478 2.872 0 40 GFAB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2)nc(O)cc1=O 8590065 FNFUVQSYUUIEMW-UHFFFAOYSA-N 397.456 2.986 0 40 GFAB C[C@H]1CN(CCNCc2cc(Br)c3c(c2)OCCCO3)C[C@@H](C)O1 67439754 ISVWAHWLYNTMPS-OKILXGFUSA-N 399.329 2.809 0 40 GFAB CCOCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3CC)C2)s1 17945940 YJCYWHQDIKDHPY-AWEZNQCLSA-N 388.493 2.986 0 40 GFAB C[C@H](OC(=O)CCc1ccc(S(N)(=O)=O)cc1)C(=O)c1cccc(Cl)c1 18336840 YACFZLYZUHMWOF-LBPRGKRZSA-N 395.864 2.735 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CNc1ccccc1I 78958397 ZXUMMOCQMGAJOR-UHFFFAOYSA-N 384.221 2.692 0 40 GFAB O=C(CNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)Nc1ccc(N2CCCCCC2)cc1 9157918 WRJIERYQBCMKNR-RBUKOAKNSA-N 399.491 2.789 0 40 GFAB CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O 95439423 NJDPUXFVSYTCAS-LJQANCHMSA-N 383.383 2.572 0 40 GFAB O=S1(=O)c2ccccc2O[C@]2(CCN(C3CCC3)C2)CN1Cc1ccccn1 306140946 VHJWECJXEQEKLI-NRFANRHFSA-N 399.516 2.662 0 40 GFAB CC1(C)C[C@@H](NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)C(C)(C)O1 95946100 OWPSXEQCAZGZKG-OAHLLOKOSA-N 377.876 2.795 0 40 GFAB O=C(c1cnc2ccccn12)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306123257 AIRFQZFOASXVJV-KRWDZBQOSA-N 392.459 2.567 0 40 GFAB CCOc1ccccc1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449966 RLLWFDPTWUNUJL-VAWYXSNFSA-N 378.450 2.722 0 40 GFAB Cn1cccc1C(=O)N1CCO[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306135701 OYCDDSZFCSSGBJ-FQEVSTJZSA-N 387.443 2.949 0 40 GFAB COc1cccc(OC)c1CNS(=O)(=O)c1ccc(Br)cc1 33897855 OYAONLOAJMNZEL-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB CCCC(=O)N1CCc2nc([C@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 72398794 HANCVCZBWWINCR-QGZVFWFLSA-N 386.521 2.853 0 40 GFAB COc1ccc(C)cc1C1(CNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)CCOCC1 566051704 VLXVABVOLATRKM-HNBVOPMISA-N 398.503 2.647 0 40 GFAB C[C@@H](Sc1nc(O)cc(C(F)F)n1)C(=O)N1CCN(c2ccccc2)CC1 520292104 PAJCYTFPQOVUOE-GFCCVEGCSA-N 394.447 2.949 0 40 GFAB O=C(NCC1CCN(c2cccnc2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 225656902 FQNDWCAIQIMUPR-UHFFFAOYSA-N 390.846 2.845 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(Cc1nnc(N)s1)C1CCCCC1 222641370 VDNJWGHHJQNKTI-UHFFFAOYSA-N 396.538 2.961 0 40 GFAB COCCCNC(=O)[C@@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 40287665 JAWXPUJTVUJDQO-CQSZACIVSA-N 388.537 2.939 0 40 GFAB Cc1cccc(NC(=O)N2CCC3(CC2)C[C@@H](NC(=O)c2ccccn2)CO3)c1 96221129 FZLSCINVTFFNMD-GOSISDBHSA-N 394.475 2.975 0 40 GFAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3cccc(OC)c3)ccc2NC1=O 96182261 IHNBGUYZTSCBAH-FQEVSTJZSA-N 384.388 2.600 0 40 GFAB CN(C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382329 OELGKSSJJXGXLW-BRSBDYLESA-N 395.425 2.624 0 40 GFAB biogenic,in-vitro COc1ncc(Br)cc1CNC(=O)Nc1cc2n(n1)CCCC2 606444798 XPNNRKABJITTDF-UHFFFAOYSA-N 380.246 2.707 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CCn2nc(C3CC3)cc2C1 390832322 YQIOJPNUKQZTIQ-UHFFFAOYSA-N 382.283 2.728 0 40 GFAB COc1cccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@H]32)c1 585107954 LXUYZONAOVRDRA-AZUAARDMSA-N 386.517 2.899 0 40 GFAB C[C@@H]1c2nc(C(=O)NCc3cccs3)cn2CCN1C(=O)c1cccc(O)c1 585096618 WGZGKVVCRYIJJQ-CYBMUJFWSA-N 396.472 2.797 0 40 GFAB O[C@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844607 ATLOEUDKUOMHGR-LTFPLMDUSA-N 385.851 2.505 0 40 GFAB biogenic,in-vitro Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)Nc4ccccn4)nc3c2c1C 12222932 PINVUKOXQZSGPN-UHFFFAOYSA-N 396.476 2.880 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 14607427 DLDAEOMDHGTYPP-XJKSGUPXSA-N 378.856 2.555 0 40 GFAB CC1CCC(CNC(=O)c2ccc(Cn3cnnn3)cc2)(N2CCCCC2)CC1 19665840 MOVVRYAIJLCAAX-UHFFFAOYSA-N 396.539 2.886 0 40 GFAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)COC(C)C)CCO1 19697715 SYGVJNDFYDWBKQ-CQSZACIVSA-N 376.478 2.586 0 40 GFAB O=C(NCc1cnn(-c2ccccc2)c1[C@H]1CCN(C2CCOCC2)C1)C1CC1 19708006 HZKBKLXXSRFSEB-SFHVURJKSA-N 394.519 2.867 0 40 GFAB c1ccc(N2CCCCC2)c(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c1 19711054 HMGFCMBLJKWMEQ-LJQANCHMSA-N 380.540 2.751 0 40 GFAB CCN(CC)C(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 12142635 OCXWZUVBWQOLOY-KRWDZBQOSA-N 387.524 2.551 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12226974 KGXJMJHDSBOGAU-JTQLQIEISA-N 396.398 2.928 0 40 GFAB O=C(CC[C@H]1CCCO1)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 248005498 SQAIKYVBHBUXPJ-GBESFXJTSA-N 383.492 2.880 0 40 GFAB CN(C)[C@H](CNC(=O)c1nc2ccccc2n(C)c1=O)c1cccc(Cl)c1 19666305 NRBHDDQISNVBFQ-QGZVFWFLSA-N 384.867 2.620 0 40 GFAB Cn1nccc1-c1ccc(CCNC(=O)C(=O)Nc2cc(F)ccc2F)cc1 1889273378 WRYNXBDXGBGEBU-UHFFFAOYSA-N 384.386 2.663 0 40 GFAB COc1ccccc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 23824549 UNISPCJMYKWNFV-UHFFFAOYSA-N 394.397 2.870 0 40 GFAB Cc1noc(C)c1CCC(=O)NCc1nnc2ccc(-c3ccsc3)nn12 245039114 OFTJBOIONGGGBY-UHFFFAOYSA-N 382.449 2.707 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 2720266 GYLAAEIBWYOFBY-UHFFFAOYSA-N 386.433 2.846 0 40 GFAB CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 3517120 ZKTLHUMUBJZEOZ-UHFFFAOYSA-N 398.535 2.687 0 40 GFAB Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccn1 5242210 XQMNFFBCWVKSOE-UHFFFAOYSA-N 394.382 2.804 0 40 GFAB O=C(COc1cc(F)ccc1F)N1CCC2(CC1)CC(=O)N(CC1CC1)C2 2055796060 QUUTWBBCPIVTSM-UHFFFAOYSA-N 378.419 2.595 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575609846 QREOHWGPBZMGFK-CQSZACIVSA-N 390.827 2.612 0 40 GFAB O=C(NCCn1nc(C2CC2)cc1C1CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 585300049 IDHCKTZGJQENDY-QGZVFWFLSA-N 378.476 2.807 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC1(c2cccs2)CCOCC1 390827273 FZXLRVSNOYYRGN-UHFFFAOYSA-N 387.504 2.580 0 40 GFAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850566 BSLGNRIDTLTPSF-CQSZACIVSA-N 385.445 2.553 0 40 GFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc2c(c1)OCO2 5289360 MSTPSFAVXDCBOJ-KRWDZBQOSA-N 385.397 2.644 0 40 GFAB O=C(NCCc1c[nH]c2ccc(F)cc12)C(=O)Nc1cc(Cl)ccc1O 40267696 YTKVNJGYYBQIPA-UHFFFAOYSA-N 375.787 2.963 0 40 GFAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3N3CCCN23)cc1 100797753 RNJVDKSWQXFFLJ-ZCNNSNEGSA-N 377.444 2.539 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)NCCCN3CCCCCC3=O)cc2C1=O 36702804 IZBVAZSRDIGDOM-UHFFFAOYSA-N 399.491 2.605 0 40 GFAB O=C(COc1cccc(Br)c1)NC[C@H]1COc2ccccc2O1 6260973 IMRJLSBNQRDBLM-AWEZNQCLSA-N 378.222 2.784 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)C1=O 7470909 CTVBXMDLBLEVPR-LLVKDONJSA-N 380.828 2.565 0 40 GFAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3CCCO3)CC2)nn1C 100687622 UKOJRRYWYCQYHE-ZIFCJYIRSA-N 376.545 2.783 0 40 GFAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)c1 8416894 KDIVLUOMPKTWQE-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB O=C(COC(=O)c1cc(Cl)ccc1O)NC(=O)NCCC1=CCCCC1 7505879 TXZVHAFRAFWZON-UHFFFAOYSA-N 380.828 2.919 0 40 GFAB COc1cc(N[C@H]2CC(=O)N(Cc3ccccc3)C2=O)ccc1N1CCCC1=O 32771821 GFAOBBKGUJVASF-KRWDZBQOSA-N 393.443 2.562 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c[nH]c12 102271578 JCJYBBYWIRMGQT-HZPDHXFCSA-N 396.443 2.631 0 40 GFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 102351690 MOOIWKWMSIFBDR-LAQRGFTBSA-N 376.884 2.731 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 32987954 QTEREIBBBRMOIP-FQEVSTJZSA-N 395.484 2.851 0 40 GFAB CCN1CCc2nc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)sc2C1 32904844 ZHYFJVNCLGMBNZ-CYBMUJFWSA-N 388.493 2.775 0 40 GFAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1N1CCCCC1 11907307 XYSHSTPVDJZHIW-LSDHHAIUSA-N 385.942 2.984 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 11914887 XLXUFPOWPYGKLV-UHFFFAOYSA-N 393.450 2.504 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1 22227001 GESYXMPOFPNNSW-UHFFFAOYSA-N 378.469 2.829 0 40 GFAB COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2N2CCCN12 100165989 UYAIITJPYFAEPS-OTWHNJEPSA-N 397.862 2.884 0 40 GFAB COc1cccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)O)cs2)c1 12296590 PWAUOPODHVXJHW-AWEZNQCLSA-N 380.491 2.684 0 40 GFAB biogenic CCOc1cc(/C=C2\NC(=O)NC2=O)ccc1OCc1ccc(C(=O)O)cc1 2992746 MZVADKMZIYEOBN-DHDCSXOGSA-N 382.372 2.543 0 40 GFAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 12568456 RTJIVFWSGNWIGC-UHFFFAOYSA-N 393.538 2.982 0 40 GFAB O=C(CCc1nc(-c2ccccn2)no1)Nc1cccc(Cl)c1-n1cncn1 24924452 GTVIQTFQDRPVPH-UHFFFAOYSA-N 395.810 2.937 0 40 GFAB NC(=O)CCN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccc(F)cc1 25359569 YGBBPXKWYFSDNF-HXUWFJFHSA-N 383.467 2.741 0 40 GFAB CCCCN(CC)C(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)[C@@H](C)CC 12551926 YPILDSZGWPYMBR-WMLDXEAASA-N 379.526 2.788 0 40 GFAB O=C(NCC(F)(F)F)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 44565049 RSBMWZVECKMYJN-UHFFFAOYSA-N 376.334 2.817 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 58197706 IYAMDWNPORHECZ-DLBZAZTESA-N 379.298 2.927 0 40 GFAB Cc1cccc(C(C)(C)CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c1 58216734 VPKAIOWQYCAXPA-UHFFFAOYSA-N 379.460 2.754 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c1 28047344 QRYCEGCVVDZSAC-UHFFFAOYSA-N 385.441 2.984 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ccccn2)c1C 10555204 MPJUQDQOXIRVSH-UHFFFAOYSA-N 379.507 2.680 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](C)c3ccccc3)C2=O)cc1 7653747 BPOISKXQJOLYRY-ZHRRBRCNSA-N 379.460 2.682 0 40 GFAB Cc1ccccc1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3487395 FXVRVPNGDSQLHT-UHFFFAOYSA-N 379.416 2.588 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)Cn2c(=O)cnc3ccccc32)c(OC)c1 12989192 NHCAVRYOXPQANF-GOSISDBHSA-N 393.443 2.777 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1C 12939777 ICTOAXDIXZEAQA-INIZCTEOSA-N 395.459 2.514 0 40 GFAB Cn1ccs/c1=N\C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 7781555 QTINNSQHRWAAJR-MRCUWXFGSA-N 377.425 2.624 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc2c(c1)OC(F)(F)O2 16104367 DKCQYLCCTLPMKO-UHFFFAOYSA-N 381.360 2.773 0 40 GFAB COc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl 7974572 QPRCVAISMWLNSQ-UHFFFAOYSA-N 397.884 2.650 0 40 GFAB Cc1ccc(C[C@H](CC(=O)Nc2nncs2)C(=O)Nc2nncs2)cc1 5000410 UDOOZVSJDBCJQU-GFCCVEGCSA-N 388.478 2.524 0 40 GFAB CC[C@H](C)N(C(=O)CSc1ncnc2sccc12)[C@@H]1CCS(=O)(=O)C1 6115569 LZFKVPFSOJYNHO-NWDGAFQWSA-N 399.563 2.598 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 6454330 XUKXQOZRJFTGEB-KBPBESRZSA-N 397.493 2.870 0 40 GFAB O=C(NCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccco1 14230494 VTRVMAOTCQOMFW-UHFFFAOYSA-N 391.471 2.897 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)N(C)CC(=O)Nc1cc(C)ccc1C 14200417 PYSGQTQGYAHWTQ-UHFFFAOYSA-N 397.475 2.529 0 40 GFAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 6534840 ZZVLZJKYBVTAND-UHFFFAOYSA-N 396.428 2.582 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2OC)cc1C 408625396 SMTCMZREVNYQTI-AWEZNQCLSA-N 392.477 2.708 0 40 GFAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCCCO)ccc23)cc1 6623810 UNIGUVKVUXFSTE-AWEZNQCLSA-N 397.427 2.735 0 40 GFAB biogenic COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 14793155 CZFSJMXYIKIZRD-KRWDZBQOSA-N 395.459 2.683 0 40 GFAB Cc1ccc(NC(=S)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 4867496 YHGQAFXICBECEZ-UHFFFAOYSA-N 397.566 2.635 0 40 GFAB Cc1ccc(NC(=O)c2ccc(Br)o2)cc1S(=O)(=O)N(C)C 8391964 KUYNNQWEBFUDMS-UHFFFAOYSA-N 387.255 2.853 0 40 GFAB Cc1cccc2nc(CNc3ccccc3C(=O)NC[C@@H]3CCCO3)cc(=O)n12 9603469 QGKDHISVBOWBMO-KRWDZBQOSA-N 392.459 2.524 0 40 GFAB COCCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)C1=CCCCC1 9691146 RDGYCMBOKDOALC-UHFFFAOYSA-N 375.498 2.766 0 40 GFAB NC(=O)c1cnc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1 97160769 PRVQCBMBCIUUIQ-UHFFFAOYSA-N 396.407 2.610 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 170591588 NVTSUDBFZGAADK-CPUCHLNUSA-N 396.390 2.661 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 28609515 MMOLLZGVIBVYNR-MRXNPFEDSA-N 384.407 2.665 0 40 GFAB Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CN(Cc4ccccc4)CC[C@H]32)c1 306138999 SMPVPGAHMBZFIW-NHCUHLMSSA-N 398.528 2.509 0 40 GFAB CCn1ncc(-c2cc(C(F)F)nc(N3CCC4(CC3)OCCO4)n2)c1C 36618577 BWMOFCZQWWSVNN-UHFFFAOYSA-N 379.411 2.949 0 40 GFAB CCNC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc(O)c(OCC)c1)CCO2 306134133 NEBFHRAJPYSJBH-PZJWPPBQSA-N 391.512 2.624 0 40 GFAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O 33736667 ZBUXAPDGZSGGQE-WOJGMQOQSA-N 380.400 2.640 0 40 GFAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cn(C)nc2-c2cnn(C)c2)C1 548367836 UIOQPHITRKNKFZ-QGZVFWFLSA-N 396.470 2.667 0 40 GFAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)ccc1O 36611719 SEWZRBLHMWLQDL-LJQANCHMSA-N 381.432 2.735 0 40 GFAB biogenic,in-vitro CC(=O)NC1CCC(N(C)C(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 541358650 JHBMQQJTLJRQTO-UHFFFAOYSA-N 393.850 2.579 0 40 GFAB Cc1cccnc1Nc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1 72353225 MTIIFWOXRFRNKE-QGZVFWFLSA-N 398.492 2.788 0 40 GFAB CCc1cccc(CC)c1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219663039 FLXFVWXMJPWAHS-UHFFFAOYSA-N 386.473 2.985 0 40 GFAB COc1ccc(CCNC[C@@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1 35686210 NNRODKVKUHVARF-GOSISDBHSA-N 397.471 2.990 0 40 GFAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(F)c1 35572292 CCOXZWOIDICZKY-LJQANCHMSA-N 398.434 2.744 0 40 GFAB CCOc1cc(CN2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)ccc1O 72347338 BVYFFHNXDMGQID-HNNXBMFYSA-N 398.507 2.669 0 40 GFAB COc1cccc(OCC(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c1 44035628 ORUUTPFSBYRZRG-UHFFFAOYSA-N 396.365 2.934 0 40 GFAB Cc1ccc(C[C@H](CO)N[C@H](C)Cn2cc(Br)ccc2=O)cc1 567633063 MTMNBYBWFVPSBS-RHSMWYFYSA-N 379.298 2.501 0 40 GFAB Cc1nc(Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c2nn(C)c(C)c2n1 41070253 BMPMEDRUXFGHOB-INIZCTEOSA-N 380.452 2.633 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cncc(Br)c1 238900996 RMPJPKIZZNERTD-GOSISDBHSA-N 391.265 2.807 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)c(C)c1 47462331 NBVJBRLJMDYLCM-UHFFFAOYSA-N 395.477 2.816 0 40 GFAB Cc1ccccc1OCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 224625036 PSSZUCOHIIVBNU-UHFFFAOYSA-N 390.505 2.736 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)c1 41152805 UJQXYDHSYBGROQ-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222994376 JDVGGDRYAODEKF-RBUKOAKNSA-N 379.489 2.886 0 40 GFAB O=C1CO[C@@]2(COCCN(Cc3cccs3)C2)CN1c1ccc(F)cc1 96051294 STHCTFHDARZHHX-LJQANCHMSA-N 376.453 2.522 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc12 96242157 RDCZCCNFHRLGCN-INIZCTEOSA-N 390.549 2.916 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)COCCN(Cc2cccnc2)C3)cc1 96239893 QKEFQEMTDLYMDF-UHFFFAOYSA-N 395.503 2.845 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)CN3CC[C@@H]4CCCC[C@H]4C3)ccc21 247497543 DKQDALSLAVGQMU-YJBOKZPZSA-N 376.522 2.704 0 40 GFAB COc1ccc(CN2[C@H]3CC[C@H]2[C@@]2(C3)NC(=O)c3ccccc3N2)cc1OC 247873481 FTXUEPAUIDEXKH-GJULWVSJSA-N 379.460 2.992 0 40 GFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248259017 PTNGMKDWGZALSA-MUCNXURCSA-N 399.535 2.789 0 40 GFAB CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)Cc1ccc(F)cn1 585083073 WYMXULAVZXWIRD-OAQYLSRUSA-N 385.483 2.667 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(S(=O)(=O)C(C)C)CC2)n1 257334201 YEZVXSJHQSYHSN-UHFFFAOYSA-N 378.498 2.974 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)C)C2)cc1 260720613 SPMVFBYLNVQEBB-HNNXBMFYSA-N 382.526 2.648 0 40 GFAB O=C(CSc1ccncc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831495 SDTHTNQMAXGRID-KRWDZBQOSA-N 394.493 2.701 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119570 HZLMCAQBKKBMEQ-QFIPXVFZSA-N 382.508 2.825 0 40 GFAB O=c1c(/C=C2\SC(=S)N=C2O)c(NC[C@H]2CCCO2)nc2ccccn12 1255058 BWOCIMCBEVYQRH-BKLZJWBFSA-N 388.474 2.615 0 40 GFAB COc1ccc(CN2CCC3(CC2)CC(=O)N(C)c2cc(C)nn23)c(OC)c1 1772596619 ZLGLNNVVFDDRFE-UHFFFAOYSA-N 384.480 2.567 0 40 GFAB COCCn1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21 5266307 ACMNIQQEZRSZAL-UHFFFAOYSA-N 396.447 2.871 0 40 GFAB Cc1cc(C)c(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c3ncccc23)c(=O)[nH]1 12088248 DWJCIUXGPCCSKT-QGZVFWFLSA-N 387.443 2.977 0 40 GFAB Cc1nn(CC(=O)N(C)CCCc2ccco2)c(=O)c2cc3sccc3n12 12115253 NJOKXWRKVDUAHX-UHFFFAOYSA-N 384.461 2.703 0 40 GFAB Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 12229552 DHIYSLIMGDOIRB-HZPDHXFCSA-N 378.519 2.676 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 12365157 KWPAFDAVXBBACX-ZIAGYGMSSA-N 383.427 2.676 0 40 GFAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccn2)on1)NCc1cccnc1 12482265 NGYROEHYCKENQJ-ROUUACIJSA-N 391.475 2.606 0 40 GFAB biogenic,in-vitro CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H]1CCCOC1 19696581 AZQJMXHLSGZEMX-XMSQKQJNSA-N 397.475 2.560 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 151284212 WBXSPRUTGHXEQG-UHFFFAOYSA-N 390.505 2.552 0 40 GFAB O=C([C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)N1CC(O)(CO)C1 615428095 POTIHUYZSUNNEZ-INIZCTEOSA-N 381.856 2.878 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)C1CCC2(CC1)CNC(=O)c1ccccc1O2 12086806 FPFLXSSTMPIGFX-UHFFFAOYSA-N 382.464 2.727 0 40 GFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2O1 7253207 KLHKYUNDZWEICV-HNNXBMFYSA-N 394.258 2.946 0 40 GFAB Cc1nc(C2CC2)cc(N2CCN(c3ncc(Br)cn3)CC2)n1 1888843165 RBONYYMFVDHSRE-UHFFFAOYSA-N 375.274 2.542 0 40 GFAB O=C(CCc1ccccc1Br)N1CCCN([C@@H]2CCOC2)CC1 1848645535 FZDWVXVJFDKRMT-MRXNPFEDSA-N 381.314 2.705 0 40 GFAB O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc2c(c1)OCO2 9321021 UHIMHXFLIPSNMU-UHFFFAOYSA-N 388.383 2.530 0 40 GFAB COc1cc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)cc(OC)c1 11781448 QHNSYUSOQIIIDS-UHFFFAOYSA-N 383.379 2.700 0 40 GFAB O=C(CCc1csc(NC(=O)c2ccco2)n1)NCc1ccc2c(c1)OCO2 11834989 JURTWGZSAPONPG-UHFFFAOYSA-N 399.428 2.966 0 40 GFAB Cc1nc(CN2CC3(CCN(C(=O)C4CC(F)(F)C4)CC3)CC2=O)cs1 2055795943 XHJIRHJDXWRHHN-UHFFFAOYSA-N 383.464 2.838 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1cccc2nsnc12 1775965394 FPNSYCDPVBQTEG-LLVKDONJSA-N 391.430 2.556 0 40 GFAB Cc1cccc2sc(NC(=O)C(=O)N3CCN(Cc4ccccc4)CC3)nc12 23105373 CKPKFHZZBMDVLX-UHFFFAOYSA-N 394.500 2.888 0 40 GFAB COc1c(F)c(F)cc(C(=O)NCc2cncc(N3CCCC3=O)c2)c1F 575618952 KLPSLUALIVZIRL-UHFFFAOYSA-N 379.338 2.564 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 40074179 NKJFVLLBYFPIBO-INIZCTEOSA-N 377.444 2.914 0 40 GFAB COCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 2938452 VVELTYRGCRKIRO-UHFFFAOYSA-N 382.869 2.907 0 40 GFAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100951799 XKSAJNGWGQWNCX-JTOWHCCKSA-N 392.249 2.689 0 40 GFAB CCOC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4476992 LYAQGMNUNZHKRV-LJCCNALRSA-N 394.489 2.575 0 40 GFAB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 6959716 RHUGJSUHLJZNLJ-WDZFZDKYSA-N 394.225 2.514 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1OC 7304100 JWJAJSXQXPRMLJ-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 7523317 XGENIWKECPBTMA-MRXNPFEDSA-N 397.450 2.893 0 40 GFAB CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)ccc1OC 7553505 YJYAXZKXYBMJQI-QGZVFWFLSA-N 377.510 2.755 0 40 GFAB CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 8091279 JYQGQNXAOVCFIZ-UHFFFAOYSA-N 387.288 2.930 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)OCc3cc(-c4ccco4)on3)ccc21 10755763 YRSPCAAQVBISSP-UHFFFAOYSA-N 388.401 2.614 0 40 GFAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145701 CAISYJIJDALJRE-IRXDYDNUSA-N 380.448 2.839 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)NCc2nc3ccccc3s2)C[C@@H](C)O1 32889666 LOTNGUFGDWGQBC-OKILXGFUSA-N 376.526 2.983 0 40 GFAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(CC1)OCCO2 32924531 IPKGCAQYDHPLMY-LLVKDONJSA-N 388.233 2.721 0 40 GFAB Cc1noc(C(C)C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 32904324 JPRBVKHORWNUTC-UHFFFAOYSA-N 393.465 2.849 0 40 GFAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 7854125 DOJGAZVYVSEVMR-HNNXBMFYSA-N 386.521 2.840 0 40 GFAB COC(=O)c1sc2ncn3nc([C@@H](C)n4cc(Cl)cn4)nc3c2c1C 2803933 TVPZKMPVTQJZHV-MRVPVSSYSA-N 376.829 2.893 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 53546362 LWDQVYKHOGONEL-GASCZTMLSA-N 392.463 2.837 0 40 GFAB CCN(CC)C(=O)C1CCN(C(=O)N[C@H](C)COc2ccc(F)cc2)CC1 58246456 URINBEAHLVEQKQ-OAHLLOKOSA-N 379.476 2.883 0 40 GFAB CCOc1ccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1OC 819321 ZCMVXXHRJURGKI-GOSISDBHSA-N 376.497 2.601 0 40 GFAB O=C(C1CCOCC1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 23013049 ZZTKLCKGTNEILU-UHFFFAOYSA-N 392.499 2.916 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCO3)N2CCOCC2)o1 25398814 INXYEPYTFUPCJV-OAHLLOKOSA-N 392.839 2.773 0 40 GFAB COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 1046855 GHDITLZVLIOYGT-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB COc1ccccc1-c1nnc(SC[C@H]2CN(CC(C)C)CCO2)n1C 23731879 UQFUPNUZJKRYRZ-OAHLLOKOSA-N 376.526 2.940 0 40 GFAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 12552373 SVAYCAMWYJTDEA-UHFFFAOYSA-N 394.499 2.863 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CCCOc2ccc(OCC)cc2)CC1 24470793 UQIDZXBWWAMDME-UHFFFAOYSA-N 378.469 2.981 0 40 GFAB Nc1c(-c2ccc(F)cc2)cnc2nc(N3CCN(c4ccccc4)CC3)nn12 1384798 PYMFJCVBLROSBH-UHFFFAOYSA-N 389.438 2.839 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1 26882195 SMRLPBZOTHXQQP-UHFFFAOYSA-N 389.473 2.960 0 40 GFAB C[C@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 58052856 WTYYLHSCJIJQEG-OLZOCXBDSA-N 375.498 2.992 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1)C2=O 3309775 LQPSMDWNOAADDO-UHFFFAOYSA-N 377.872 2.847 0 40 GFAB COCCN1CC[C@@]2(CN(Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306140952 VHMMBLHRYJUDKO-NQIIRXRSSA-N 386.496 2.522 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1F 3334343 XESXZLYSDUTMEU-UHFFFAOYSA-N 380.803 2.964 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O[C@@H]3CCCCC3=O)cc2)C1 10697830 WVLXQYVLORCYKQ-KBXCAEBGSA-N 379.478 2.776 0 40 GFAB COc1ccc(-c2ccc(CCC(=O)N[C@]3(C)CCS(=O)(=O)C3)o2)cc1 48249529 IWZXZPHKTYHWHU-LJQANCHMSA-N 377.462 2.581 0 40 GFAB Cc1ccc(N2C(=S)N(c3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4168076 HVCDMSFKDOPKMG-SJORKVTESA-N 376.478 2.911 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H]1COc2ccccc2O1 6053775 UBQVTECZFOPFCR-KRWDZBQOSA-N 390.823 2.586 0 40 GFAB CCCCCC[S@@](=O)[C@H]1CS(=O)(=O)C[C@@H]1[S@](=O)CCCCCC 4339268 XLALDRNIXLZYLY-QDGJQWLKSA-N 384.629 2.810 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc1=O 6232607 XPYCCVAUQDRZDB-ZHRRBRCNSA-N 385.460 2.942 0 40 GFAB biogenic O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 8312801 BJAMHHQMFXQISA-CYBMUJFWSA-N 387.436 2.625 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1 14018493 UIINENWASDVXOV-UHFFFAOYSA-N 384.392 2.706 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c1 14231072 SKKDKCFUSWBNNO-LBPRGKRZSA-N 383.404 2.787 0 40 GFAB COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(C)cc1 4998063 DUXABYWEARCSOE-UHFFFAOYSA-N 399.520 2.988 0 40 GFAB CCC[C@H](C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4998888 NNYNYQMYUBLPOA-HKUYNNGSSA-N 399.535 2.891 0 40 GFAB CCN(Cc1ccccc1)C(=O)COC(=O)c1nn(-c2ccccc2)nc1C 7293044 UUKDXMXUSXTRNZ-UHFFFAOYSA-N 378.432 2.781 0 40 GFAB Cc1cc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 8774628 LOJJYOFTLWLWDS-AWEZNQCLSA-N 378.519 2.589 0 40 GFAB Cc1ccccc1-c1cc(C(=O)N[C@H]2CCC(=O)NC2)c2cnn(C(C)C)c2n1 72062916 QDEYZSJJTMVATE-HNNXBMFYSA-N 391.475 2.996 0 40 GFAB COC(=O)CCNC(=O)c1csc(-c2cc(Br)cs2)n1 72003318 IAVUADBMHZUDOZ-UHFFFAOYSA-N 375.269 2.927 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)cc1Cl 96900251 JCPPRMITJLDREB-IBGZPJMESA-N 399.878 2.808 0 40 GFAB O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cscn1 97548023 ZOLXZKIXBAKDGG-HNNXBMFYSA-N 385.411 2.965 0 40 GFAB CCOC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 408584678 SWVZWLMZVNCNIR-INIZCTEOSA-N 391.489 2.928 0 40 GFAB O=C(Nc1ncccc1O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 95938997 GETCXKADAVEEDF-LBPRGKRZSA-N 376.210 2.541 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C1 95995464 GFUFTZOZLZRNAJ-LSDHHAIUSA-N 386.496 2.669 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 95998465 GHUJYYPVQKLATA-HXUWFJFHSA-N 393.491 2.804 0 40 GFAB Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nn1[C@@H](C)C1CC1 544096973 UYZJXJPFUGGLJX-ZDUSSCGKSA-N 391.497 2.527 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 28198777 XOVYMIHQWUUHCA-GJZGRUSLSA-N 378.469 2.630 0 40 GFAB CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@]12CN(C[C@@H]1CC=CCC1)CCO2 306123909 BAHBELYJQDXKMC-AQNXPRMDSA-N 384.586 2.932 0 40 GFAB COc1ccc(N2C3=[N+](CCCC3)C[C@]2(O)c2ccc3c(c2)OCCO3)cc1 26505814 PEOLIGAMMULHPN-QFIPXVFZSA-N 381.452 2.727 0 40 GFAB COc1cccc([C@H](CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)N(C)C)c1 60342861 MDDBBKAJDIJXIS-INIZCTEOSA-N 384.484 2.598 0 40 GFAB c1cc(N2CCN(c3nccc(N[C@H]4CCCOC4)n3)CC2)c2cc[nH]c2c1 528204816 HAKBTUINEVKNRA-INIZCTEOSA-N 378.480 2.875 0 40 GFAB O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35897654 FICJFSKNWWWKGM-MMDVMMEASA-N 386.473 2.590 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCCCC1)NC2=O 72339144 AHJAKLFIJVEYSA-CABRAYNUSA-N 384.476 2.962 0 40 GFAB O=C(Nc1ccccn1)c1cc(NC(=O)c2nccnc2C(=O)O)ccc1Cl 72401620 WLTKJXRFHDXHSQ-UHFFFAOYSA-N 397.778 2.728 0 40 GFAB CC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1 72369595 FEYHHXASTUJDOL-MRXNPFEDSA-N 385.512 2.529 0 40 GFAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)c3cccc(OC)c3)C[C@@H]12 72395801 RTPBJUHHZWKVRL-XXBNENTESA-N 392.455 2.885 0 40 GFAB COC(=O)CCN1CCN(C(=O)c2cc3cc(Cl)ccc3nc2C)CC1 48274722 GQAHSRHRPXSIJZ-UHFFFAOYSA-N 375.856 2.518 0 40 GFAB Cc1ccccc1[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 569934766 NNISCNKEMAREQB-JXFKEZNVSA-N 382.460 2.771 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 223586629 HHMIGTUPBBTSJH-RTBURBONSA-N 382.464 2.976 0 40 GFAB C[C@@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768744 DPCXETSFGBUGOT-INIZCTEOSA-N 388.895 2.798 0 40 GFAB CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)[C@@H](c2ccccc2)C1 48236315 KPTHEAMGOZHNTN-RTBURBONSA-N 381.476 2.647 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cc(-c2ccco2)n[nH]1 225792773 VTUOOBVFTSJIDX-UHFFFAOYSA-N 392.463 2.737 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222994164 MVFIDJPLQGKZBU-RTBURBONSA-N 379.489 2.886 0 40 GFAB CCOc1ccc([C@H]2CCCN2C(=O)c2nnn(-c3ccn(C)n3)c2C)cc1 573050588 BOSAUSZQFFMRBS-QGZVFWFLSA-N 380.452 2.685 0 40 GFAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCN(c3cccc(F)c3)CC2)n1 96182804 KKEFHAJNJQEMPZ-UHFFFAOYSA-N 383.471 2.877 0 40 GFAB CN(C)C(=O)CN1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc12 96242428 HCGVSKYATYYDAD-UHFFFAOYSA-N 378.520 2.519 0 40 GFAB COc1cc(=O)n(CC(=O)Nc2cc(C)ccn2)nc1-c1ccc(Cl)cc1 96100881 XQCCQCHLCAVWSG-UHFFFAOYSA-N 384.823 2.914 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242463606 DFNOHQDZDNWXQD-ZHALLVOQSA-N 393.892 2.788 0 40 GFAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)CN1CCCC1=O 257232852 GMRZADRHWHJEAT-NRFANRHFSA-N 385.439 2.865 0 40 GFAB Cc1cnc2nc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)nn2c1 615844812 ZKDXAAKZUVFFCB-CYBMUJFWSA-N 386.253 2.825 0 40 GFAB N[C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 652375127 JGTQWIWMVUIYCT-UXIGCNINSA-N 393.336 2.900 0 40 GFAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccccc3)C[C@H]12 585109793 URAPNRKVMLTZQX-QNWVGRARSA-N 380.488 2.736 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN1CCC[C@H](O)C1)C2 585104115 LUMSSBWHAVZRPK-PMACEKPBSA-N 386.536 2.717 0 40 GFAB COCc1cnc(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)s1 585114083 LMUMNAWASDULAP-UHFFFAOYSA-N 398.282 2.787 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)ccc3nsnc23)cc1 5260186 WASPUDAHGAUYIV-UHFFFAOYSA-N 378.435 2.979 0 40 GFAB Cc1ccc(C(=O)CSc2nnc(CCC(N)=O)n2Cc2ccco2)c(C)c1 12976658 BZYNPLPIUYVMBY-UHFFFAOYSA-N 398.488 2.929 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCC[C@H]([C@H]3CC(=O)c4ccccc4O3)C2)c(F)c1 13267267 MHFFWFZDGPPRAR-VBKZILBWSA-N 396.418 2.811 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cc1OC 16312417 MUEKHUSBOLGYRP-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CCOc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccccc3)CC2)C1=O 17877562 MPLFAZUHODWNKT-IBGZPJMESA-N 379.460 2.539 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1ccn(C)n1 19017523 KYRDLDHKVPFTCV-TYPHKJRUSA-N 398.482 2.959 0 40 GFAB Cc1nn(CCC(=O)N2CCN(CCOc3ccc(F)cc3)CC2)c(C)c1C 19557110 XCYVKLDPKNMRRQ-UHFFFAOYSA-N 388.487 2.561 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 19933191 KJILOBHFLIIXIM-CYBMUJFWSA-N 393.461 2.671 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)cc1OC 226323216 NOVKIUCLGRZETR-RMKNXTFCSA-N 386.429 2.928 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cc3ccc(F)cc3)CC1)O2 12225627 DABVGRFKVVQQIO-UHFFFAOYSA-N 382.435 2.860 0 40 GFAB COc1cc2c(cc1OC)[C@@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)N(C)CC2 30726823 SZDGAZFTAUFFQH-OALUTQOASA-N 383.400 2.873 0 40 GFAB biogenic,in-vitro COc1ccc(CCNC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)cc1 3254360 FYHAXHYJCPAQTK-UHFFFAOYSA-N 387.407 2.699 0 40 GFAB COc1c(C)cccc1CN1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984053 OLTHPYHYQGTFME-QHCPKHFHSA-N 396.487 2.638 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H]3CN(c4ccc(F)cn4)C[C@@H]32)cc1OC 2087144448 BSOHHWKQKJDEQP-WBVHZDCISA-N 385.439 2.518 0 40 GFAB COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1 7421048 KSZOVDGLXKGVME-UHFFFAOYSA-N 387.827 2.795 0 40 GFAB Cc1[nH]c2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n2c1C 10104366 AKEQGBJJJSPYSH-UHFFFAOYSA-N 392.246 2.648 0 40 GFAB Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(C)CC3)c(O)n2n1 22468400 WUSPQRRNTCRFMG-AWEZNQCLSA-N 377.901 2.795 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCCc1ccc2c(c1)OCCO2 7987996 BLCBPYRLDVVYHL-FQEVSTJZSA-N 397.475 2.963 0 40 GFAB COc1ccc(NC2=NC(=O)C[C@@H](C(=O)NCCc3ccccc3)S2)cc1 795135 JMVVZTCKPPLLBR-KRWDZBQOSA-N 383.473 2.854 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 8052993 BOGBTBXRNOHSSK-UHFFFAOYSA-N 391.840 2.680 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 100741895 MCXCMJUZCCQTSH-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4858810 WXASHFIXFQJQBP-QGZVFWFLSA-N 385.493 2.728 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 4984819 JGUYVUYFADMVGX-SFHVURJKSA-N 377.444 2.893 0 40 GFAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1C 8062462 QYFGVHGVEPIVAK-UHFFFAOYSA-N 394.443 2.728 0 40 GFAB CCCCC(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1 6817958 KSRDSOWLWHOOPD-UHFFFAOYSA-N 380.495 2.808 0 40 GFAB CCn1c(SCc2nc(-c3cccs3)no2)nnc1N1CCOCC1 7788624 XIFARSKDPJQAJK-UHFFFAOYSA-N 378.483 2.538 0 40 GFAB COc1ccccc1-c1noc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 32797380 OGBZJUBFTZCANM-ZDUSSCGKSA-N 387.461 3.000 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)CCc2ccc(OC(F)F)cc2)c2ccccc2O1 32764535 YZAKJXWQQNLLDY-QGZVFWFLSA-N 390.386 2.761 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC)cc2OC)c1C 2636333 BRMQONOJSXHTPR-UHFFFAOYSA-N 389.404 2.865 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 32810757 WUWBFQPXPGPKTM-UHFFFAOYSA-N 388.489 2.816 0 40 GFAB NC(=O)N[C@@H](CC(=O)OCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 32903475 MQYWJPQIAXGJLD-HNNXBMFYSA-N 390.823 2.954 0 40 GFAB Cc1c(F)cccc1CN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 108534765 YHZGXJYLPOLFTK-QGZVFWFLSA-N 396.528 2.730 0 40 GFAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 33271382 FGYBLCPBUUAGGK-ZDUSSCGKSA-N 395.373 2.679 0 40 GFAB COc1ccc(-c2cnn([C@H](C)C(=O)Nc3cc(F)ccc3F)c(=O)n2)cc1 33324701 NTHIFSISWXLEGR-LLVKDONJSA-N 386.358 2.792 0 40 GFAB O=S(=O)(NC[C@@H]1CCCO1)c1cc(Br)ccc1Br 863586 QBELXIFAAZIEMY-VIFPVBQESA-N 399.104 2.669 0 40 GFAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3cccn3)nc2)no1 22989786 ACHBPWMWEVBNKW-UHFFFAOYSA-N 376.376 2.790 0 40 GFAB COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(c4ccc(Cl)cc4)NN32)cc1 940671 UWYPCWBQOSGQEC-QGZVFWFLSA-N 395.850 2.786 0 40 GFAB O=C1O[C@@H](C(=O)NCCNc2ncc(Cl)cc2Cl)Cc2ccccc21 47162850 BETMPLXLZZSQNJ-CQSZACIVSA-N 380.231 2.698 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 47244237 QFCZTYITOZCVTO-UHFFFAOYSA-N 378.367 2.853 0 40 GFAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCOC 12409146 MNOCCWWEKYRTQH-UHFFFAOYSA-N 394.493 2.941 0 40 GFAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1 24227326 PKFJITZERJPVOU-SECBINFHSA-N 384.679 2.568 0 40 GFAB COC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 106647243 KSJPJBZLWLXVNF-LBPRGKRZSA-N 392.253 2.660 0 40 GFAB CCN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 34889281 PCUDABLWMZQOAH-LJQANCHMSA-N 390.487 2.939 0 40 GFAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 25360348 UNVYTWCPMXAYHS-SFHVURJKSA-N 385.439 2.540 0 40 GFAB CNC(=O)c1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C2CC2)cc1 26118522 NNNGTJNZPBWVTB-UHFFFAOYSA-N 382.460 2.797 0 40 GFAB CCOc1ccc(-c2noc(CN3C[C@H](C(=O)NC)Oc4ccccc43)n2)cc1 12540045 JDNNRNNNABPGLH-GOSISDBHSA-N 394.431 2.649 0 40 GFAB O=C(NCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1Cl 35475359 JFUMFABFGKVRGU-UHFFFAOYSA-N 387.867 2.998 0 40 GFAB C[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(-n2ccnc2)cc1 12541479 NSYLYKHGRGUCIQ-HNNXBMFYSA-N 387.443 2.539 0 40 GFAB COc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2cccc3nccnc23)C1 35684065 DEDFRROSCLXVPV-KRWDZBQOSA-N 382.445 2.749 0 40 GFAB Cc1nc(COc2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2)cs1 10268388 XROYNWSBWQQOBQ-GOSISDBHSA-N 381.457 2.987 0 40 GFAB O=C1C[C@H](C(=O)NCc2ccccc2Cn2cccn2)c2ccc(F)cc2N1 10572888 KBADZRPTPPDCNM-SFHVURJKSA-N 378.407 2.813 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1 12692614 FHUIUPIGBSBBQY-AWEZNQCLSA-N 399.472 2.800 0 40 GFAB O=c1cc(CSc2nnc3ccccn23)nc2ccc(Br)cn12 3354922 FQHKQCMIUAGOSU-UHFFFAOYSA-N 388.250 2.792 0 40 GFAB C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 12788969 VUODKPPLMLJOSA-AWEZNQCLSA-N 383.423 2.560 0 40 GFAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)NC[C@H]3CCCO3)c2)o1 408598772 BBMFKCGOEPUSOS-CYBMUJFWSA-N 391.807 2.865 0 40 GFAB NC(=O)C1CCN(C(=O)c2csc(COc3ccc(Cl)cc3)n2)CC1 48260240 JSXAONUZCKWNIQ-UHFFFAOYSA-N 379.869 2.713 0 40 GFAB CCn1c(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc2ccccc21 48374781 RJSMQBPEERAYEC-GOSISDBHSA-N 396.535 2.820 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1C(=O)NC1CCCC1 12820836 LZLLYZIRRFONGA-UHFFFAOYSA-N 396.472 2.769 0 40 GFAB CCn1nnc2cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)ccc21 12984459 QPTYWCVCGAEZMI-CQSZACIVSA-N 375.436 2.865 0 40 GFAB COc1cc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc(OC)c1 12973779 DIRSPRANHGNHAV-UHFFFAOYSA-N 390.480 2.842 0 40 GFAB Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1C 20245048 UYCHDQGAAQYEAT-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccccc1 4177287 FMJOKPRBXJEFND-OOSNJVJTSA-N 376.449 2.630 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O 13656493 AUGCXNDYWSFADM-YJBOKZPZSA-N 383.448 2.822 0 40 GFAB CN1CC(=O)N(CCCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C1=O 39981625 JMJQUBMTBFHOBJ-GOSISDBHSA-N 389.452 2.767 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)C2CCCCC2)C1=O 4514499 YFMQYPUUJZDPCJ-FQEVSTJZSA-N 375.444 2.774 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 14239004 ZYUXACHZJHEYAU-FQEVSTJZSA-N 394.427 2.596 0 40 GFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 24906382 RJLLQVSHPNWOHT-GOSISDBHSA-N 376.478 2.583 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C 6851564 VDIQLJBALJXONQ-UHFFFAOYSA-N 377.466 2.773 0 40 GFAB Cc1csc2nc(CN(C)CC(=O)Nc3ccccc3Cl)cc(=O)n12 6881407 FBORPZZARRPIKJ-UHFFFAOYSA-N 376.869 2.788 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NC4CCCC4)CC3)CC2=O)cc1 4998853 YJALFODNTZYUMJ-GOSISDBHSA-N 397.519 2.645 0 40 GFAB O=C(Nc1ccsc1C(=O)Nc1ccc2c(c1)OCCO2)c1cnccn1 67335963 NUMYWAWCAQQNFT-UHFFFAOYSA-N 382.401 2.814 0 40 GFAB CC(C)Oc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 22378030 VDZMBLNVHBEGJX-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB C[C@@H]1CN([C@@H](CNS(=O)(=O)CCCF)c2c(F)cccc2Cl)CCO1 78967666 ASGPQCMAPIWDAO-DOMZBBRYSA-N 396.887 2.520 0 40 GFAB CC(C)Cn1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O 72402785 VMLTXQRNAMUOER-UHFFFAOYSA-N 389.459 2.673 0 40 GFAB COc1cccc(CN2C[C@@]3(F)CN(Cc4ccc(C)o4)C[C@@]3(F)C2=O)c1 306133280 MHJHRSIXDQNPFU-VQTJNVASSA-N 376.403 2.871 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 408700938 OPJBUAPRNATEIH-RLFYNMQTSA-N 392.521 2.788 0 40 GFAB O=C([C@@H]1CCc2[nH]nc(-c3ccsc3)c2C1)N1CCN(c2ccccn2)CC1 306142351 WWRZPYZLZNAOSA-OAHLLOKOSA-N 393.516 2.987 0 40 GFAB COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc2c1OCO2 35326588 YJNRXXHBRODLRR-QGZVFWFLSA-N 381.340 2.521 0 40 GFAB O=C(O)c1ccccc1OCCOCCOCCOc1ccccc1C(=O)O 3844450 NLPMAYUPXSVJED-UHFFFAOYSA-N 390.388 2.574 0 40 GFAB biogenic CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)n1cnc2ccccc21 72324160 ABHPIIMFOZKUBJ-DOTOQJQBSA-N 389.459 2.902 0 40 GFAB CSc1ccc(CN(C)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 32776723 DAPNLQCNOBORJN-UHFFFAOYSA-N 384.549 2.974 0 40 GFAB CCn1c(=O)n(CCC(=O)N[C@@H](CC(=O)OC)c2ccccc2)c2ccccc21 32845651 XHILFUHINONGIR-KRWDZBQOSA-N 395.459 2.634 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2cc(C)ccc2C)cc1 224020810 VNLMZAVEZBKUQX-UHFFFAOYSA-N 377.462 2.588 0 40 GFAB COc1ccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cn1 40653495 XMLCUMATUBHQTR-UHFFFAOYSA-N 395.868 2.926 0 40 GFAB COc1ccccc1OCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 41157497 OKZDEOANSZQMKJ-UHFFFAOYSA-N 396.399 2.930 0 40 GFAB Cc1c(C(=O)NCCCc2ccc(F)cc2)cccc1N(C)S(C)(=O)=O 222437652 FDKUGSQVEABIQY-UHFFFAOYSA-N 378.469 2.893 0 40 GFAB COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3F)n2)c1 41254104 DZXGPBRERKCUPY-UHFFFAOYSA-N 381.407 2.765 0 40 GFAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)nc1 223606991 VJSLXNJJYNHLTL-UXHICEINSA-N 393.516 2.931 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225973909 GPWHFMDHIGDAAW-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB COc1cccc(CN2C[C@H]3CC[C@@]4(N=C(c5ccccc5)NC4=O)[C@H]3C2)c1 96087558 JCPOBUVKRPULRH-QMHWCDLVSA-N 375.472 2.852 0 40 GFAB O=C(NCc1nc(-c2ccccc2F)cs1)c1cn(C[C@@H]2CCOC2)nn1 529197760 CLDQSPSIOVZLMP-LBPRGKRZSA-N 387.440 2.507 0 40 GFAB O=C(Cn1cccnc1=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257341035 ZIOXMVSHQLQLIV-SFHVURJKSA-N 396.422 2.715 0 40 GFAB CN1CCC(C(=O)N2CCO[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1 257215687 CRFIBNDYOAMZRT-LJQANCHMSA-N 387.455 2.646 0 40 GFAB COc1ccc(-c2cncc([C@H]3CN(C(=O)Cc4ccccn4)CCO3)n2)cc1 257344021 ZVLSEBNQVHVUOT-OAQYLSRUSA-N 390.443 2.690 0 40 GFAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC[C@H]2CCCO2)ccc1O 257173426 MSEHOLJDLBYRGX-WOJBJXKFSA-N 396.487 2.623 0 40 GFAB CCc1ccc(NC(=O)C[C@@H]2Cc3c(-c4ccccc4)nc(N)n3NC2=O)cc1 618256633 KMNRODGLMAFLIA-INIZCTEOSA-N 389.459 2.966 0 40 GFAB CCOc1ccc(C(=O)N2CCC(NCc3cnc4ccnn4c3)CC2)cc1 624215934 KOBRQLIBPRFUHZ-UHFFFAOYSA-N 379.464 2.522 0 40 GFAB C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H]2CCCO2)CCO1 670294382 PWBIHOABPYRIEZ-JKSUJKDBSA-N 381.480 2.841 0 40 GFAB COc1ccc(C(=O)O)cc1CN1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 1704307627 CSYITVIVNBROPV-QFIPXVFZSA-N 396.491 2.729 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CC(N3CCc4ccccc4C3)C2)n[nH]1 390825914 PLXZVNVLTOCJSZ-UHFFFAOYSA-N 388.471 2.968 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccc(C)o1)C2 585106838 JHGFBJJCQPNCJW-QFIPXVFZSA-N 392.459 2.982 0 40 GFAB O=C(NCCCn1cc(C(=O)O)nn1)OCC1c2ccccc2-c2ccccc21 685945125 WUXQVOXKRJELGV-UHFFFAOYSA-N 392.415 2.905 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(F)ccc1F 47637640 CPJFUARUNMSFFB-JTQLQIEISA-N 383.372 2.537 0 40 GFAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 5755102 MIXKSEQQOSLOKB-CYBMUJFWSA-N 380.400 2.679 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(CC)cc2)n(C)c1=O 12374042 ZQIIKQNUPANKIQ-AWEZNQCLSA-N 381.480 2.657 0 40 GFAB COc1cc(CN2CCC3(CC2)OCCc2cnc(C)nc23)cc(OC)c1OC 12407118 UVJFJQMIFSGMJJ-UHFFFAOYSA-N 399.491 2.875 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCCC3)C2)cc1 12480809 AJQNEUKAEQXHSI-OALUTQOASA-N 388.508 2.663 0 40 GFAB biogenic,in-vitro COc1ccccc1OCCNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 13003795 KARLGNPHYIGXNI-SFHVURJKSA-N 382.460 2.547 0 40 GFAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 15547592 ILSWRGXGCUIXOQ-ZDUSSCGKSA-N 393.534 2.556 0 40 GFAB COc1c(C)cccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1 19235852 CUNFKPPZURSTLT-IBGZPJMESA-N 394.475 2.676 0 40 GFAB O=C(COc1ccc(F)cc1F)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19293072 GLJSETZCPDXQRP-QGZVFWFLSA-N 388.418 2.533 0 40 GFAB COc1cccc(-c2nnn(CC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)n2)c1 19660123 FLDANRPHOSFTET-QGZVFWFLSA-N 393.447 2.767 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C1CCN(Cc2nc3ccccc3[nH]2)CC1 19746616 QSFQUFQPNHOTDB-GOSISDBHSA-N 376.526 2.589 0 40 GFAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 8302441 LUZOSAVHVWYYHA-IZZDOVSWSA-N 386.473 2.668 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 12158007 YAVZSTBCWLFCMR-QAPCUYQASA-N 375.469 2.941 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)[C@@H]4CCOC4)CC3)nc2cc1OC 12230942 GTRJYDDAQPLPJM-CQSZACIVSA-N 385.464 2.577 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)OCc3ccccc3)C[C@H]2CO)C1 585164663 DBANJPGUKCBLRH-UWJYYQICSA-N 390.480 2.875 0 40 GFAB COc1cc(NC(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)cc(OC)c1 1888879181 GHPKWDKISXCRJE-UHFFFAOYSA-N 385.468 2.935 0 40 GFAB O=C([C@@H]1CN(Cc2ccc(Cl)cc2Cl)CCO1)N1CCSCC1 1888914022 HKNIURVNDDMUJX-HNNXBMFYSA-N 375.321 2.770 0 40 GFAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(Cl)c1Cl 2037971263 NTNYYWCTFFBTQY-OGWHTMIXSA-N 382.287 2.503 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@H]3C[C@@]32C(=O)N2CCCC2)c(C)cc1Cl 2056225255 NGIIKSBBEQYTHF-KSSFIOAISA-N 382.913 2.732 0 40 GFAB COC(=O)Cc1cc(OC)c(OC)cc1C(=O)Cc1ccc(OC)c(OC)c1 1077546 AIAZYIMBWPXZLQ-UHFFFAOYSA-N 388.416 2.862 0 40 GFAB COc1cn(CC(=O)Nc2cccc(C)c2)c(CSc2ncccn2)cc1=O 10254886 QJTCBGGZHKPSCL-UHFFFAOYSA-N 396.472 2.886 0 40 GFAB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1C 23107338 RWJUYFJYBWVXAE-FQEVSTJZSA-N 399.466 2.571 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1 49404128 ZUHZQVVRDRUVMU-UHFFFAOYSA-N 397.460 2.797 0 40 GFAB CCOc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1 4306502 VYVFXDZXPLUOPJ-UHFFFAOYSA-N 391.474 2.927 0 40 GFAB C[C@@H]1Cc2cc(CCC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 19498127 IILXNRFTHARSIB-QRWLVFNGSA-N 392.503 2.742 0 40 GFAB COC(=O)[C@@H](Cc1cc(-c2ccccc2Cl)on1)CN1CCN(C)CC1 96316088 BJVQSBIYDWRSHH-AWEZNQCLSA-N 377.872 2.574 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@H]3C2=O)cc1 100033412 VVVXZNLHLIXOLA-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB COc1ccc(CCN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 30863311 XCWWCGPZBHPSTA-LJQANCHMSA-N 396.487 2.753 0 40 GFAB CCn1c(=O)c2c(nc(SCc3c(F)cccc3Cl)n2C)n(C)c1=O 887135 ASFJHXGPORTLAZ-UHFFFAOYSA-N 382.848 2.538 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)[nH]1 6441081 VZJVIWBGHFLJDZ-UHFFFAOYSA-N 398.444 2.901 0 40 GFAB O=C(CSc1nnc(Nc2ccccc2)s1)NC(=O)NCc1ccco1 6559756 YODLDNOODLVPRB-UHFFFAOYSA-N 389.462 2.993 0 40 GFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccnc2Cl)c1 7389659 UJDLOVFIOPTAKL-UHFFFAOYSA-N 375.812 2.611 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)c(C)c1 10112353 KQHSRVMAEFWVSD-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CCN1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)CC1 57523001 KCUKIWKOEWIZDR-UHFFFAOYSA-N 393.369 2.786 0 40 GFAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670310 MTBYCWDSMMTWQY-APWZRJJASA-N 388.491 2.655 0 40 GFAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 29836770 PLFKDOJNNYOTQN-UHFFFAOYSA-N 392.381 2.904 0 40 GFAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1OC 915065 ITGIUNDXSXBBPR-SFHVURJKSA-N 392.419 2.618 0 40 GFAB Cc1noc(C)c1C(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100145697 CAISYJIJDALJRE-IAGOWNOFSA-N 380.448 2.839 0 40 GFAB Cc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)c(C)c1 100636825 ISUMHDGMVGMXKU-MONBJTKQSA-N 394.471 2.975 0 40 GFAB CCc1ccc(OC[C@H](O)CN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 55170393 ARCFMKPXXYKJPZ-GOSISDBHSA-N 388.533 2.817 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)Cn2c(C)c(C)sc2=O)cc1OC 55183686 NRDZHACHXUFAQB-OAHLLOKOSA-N 376.478 2.908 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)NCc1cc(Cl)c2c(c1)OCCCO2 28443257 MHHJPJHBFPMUHX-UHFFFAOYSA-N 399.834 2.528 0 40 GFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(CC(C)C)CC2)c1 43978941 HNTKRVDQJUDENZ-UHFFFAOYSA-N 388.512 2.879 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cc1nnn(-c2ccccc2)c1C)c1ccccc1 57139788 POYILHYXMWXNAE-LJQANCHMSA-N 378.432 2.539 0 40 GFAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccccc2F)CC1 26937089 VLQHNHUFVGIJKE-HNNXBMFYSA-N 385.414 2.667 0 40 GFAB CCOC(=O)C(=CNc1ccc(I)cc1)C(=O)OCC 3176920 PNGOFTSKPNATQQ-UHFFFAOYSA-N 389.189 2.713 0 40 GFAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)c[nH]1 58032371 QOFZUFXIMHJWIQ-AWEZNQCLSA-N 388.427 2.940 0 40 GFAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H]1CCS(=O)(=O)C1 44719566 XVOYBFQHOCPWSZ-FWEMWIAWSA-N 381.803 2.923 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1C(=O)N1CCCC1 58102997 MZNXDCFTWONNJH-UHFFFAOYSA-N 393.443 2.677 0 40 GFAB O=C(CNCc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 58131201 KQWMSJDNYIAMSG-UHFFFAOYSA-N 375.812 2.549 0 40 GFAB O=C(COC(=O)Cc1c(F)cccc1Cl)NCc1ccc2c(c1)OCO2 3318724 XGYXMAQRYVLSJJ-UHFFFAOYSA-N 379.771 2.610 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 7728323 TVQCTPRTJZCCRG-UHFFFAOYSA-N 396.534 2.917 0 40 GFAB C[C@H](C(=O)N1CCCCCC1)n1cnc2c(cnn2-c2ccc(F)cc2)c1=O 12747891 WUACISXRDZAZQS-CQSZACIVSA-N 383.427 2.685 0 40 GFAB C[C@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N(C)c1ccccc1 48273537 AYKKNTUEDMAUOI-QGZVFWFLSA-N 378.476 2.806 0 40 GFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3n[nH]c(=O)c4ccccc34)o2)cc1 12895538 NGGUDWYNNMQPBG-LLVKDONJSA-N 392.371 2.900 0 40 GFAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 8195592 YEZQTFNHXRVVRL-UHFFFAOYSA-N 388.445 2.889 0 40 GFAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 8112941 SXVFMCMEALXNFX-UHFFFAOYSA-N 393.447 2.623 0 40 GFAB COc1cccc(/C=C/C(=O)N[C@@H](C(N)=O)c2ccccc2)c1OC(F)F 14197550 NPMDIEJVNCUUGT-SIFUEBAJSA-N 376.359 2.653 0 40 GFAB CS(=O)(=O)Nc1ccc(OC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 66516909 NPKKYSSRWFSTRT-UHFFFAOYSA-N 393.436 2.851 0 40 GFAB CCOc1cc(S(=O)(=O)NCCCn2ccnc2)c(OCC)cc1Cl 4945531 MAZGBCUKKVVWJA-UHFFFAOYSA-N 387.889 2.703 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 9548416 MOZVXYBOGPXVPR-UHFFFAOYSA-N 383.448 2.686 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cn3ccccc3n2)CC1 9596454 NTYYYZZZNAWLDB-UHFFFAOYSA-N 392.415 2.554 0 40 GFAB CC(=O)Nc1ccc2c(Cn3nnc(-c4ccccc4C)n3)cc(=O)oc2c1 9160830 XNVUKWNXIPQJKJ-UHFFFAOYSA-N 375.388 2.762 0 40 GFAB Nc1c(-c2nnc(SCc3ccc(F)cc3)n2N)cnn1-c1ccccc1 19897488 IVSZKHGHMUIZFR-UHFFFAOYSA-N 381.440 2.858 0 40 GFAB COc1cc(OC)cc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1 9639384 DYEQKIIRCUFEJA-UHFFFAOYSA-N 380.326 2.695 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1cccs1 9762661 YRQOTTHCNWGAIN-CYBMUJFWSA-N 389.477 2.607 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c1C 67218351 QIOPBUUCURQQMJ-UHFFFAOYSA-N 397.500 2.890 0 40 GFAB Cc1cccc(CN2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1 32499324 BYGYJJPHAKYJTE-UHFFFAOYSA-N 386.517 2.665 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C2CC2)[C@@H](C)C2CC2)cc1 31654034 GTZAZBOPPKQQDF-HNNXBMFYSA-N 393.553 2.919 0 40 GFAB CC(=O)O[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 214309998 ZITLPPLNBYOLDJ-HXPMCKFVSA-N 383.400 2.930 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NC1CCCCC1 217631254 CCGUOCAAGFICIR-AWEZNQCLSA-N 382.482 2.587 0 40 GFAB COc1ccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)Cn4cccn4)C3)n2)cc1 72384398 XPBXFIIOJPZQLD-MRXNPFEDSA-N 393.447 2.799 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccccc3F)c3ccccc3n12 64871612 CHYWPDIQCVTGLA-UHFFFAOYSA-N 379.395 2.775 0 40 GFAB CN(c1ccc(C(=O)N2CCc3ccccc3C2)c(Cl)c1)S(C)(=O)=O 222510119 HXLZKJBDWZMBPG-UHFFFAOYSA-N 378.881 2.934 0 40 GFAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccnc1 40484603 DFFOQLVIYPQQSI-GOSISDBHSA-N 376.420 2.999 0 40 GFAB O=S(=O)(Cc1cccc(Cl)c1)NCc1cccc(CN2CCOCC2)c1 224730201 WIICHEBSDIGNCK-UHFFFAOYSA-N 394.924 2.792 0 40 GFAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)NCCc3cnn(C)c3)c2C)cc1 40135072 YXBZIYKYJLHAPI-MDZDMXLPSA-N 377.492 2.962 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2sccc2n1Cc1ccccc1F 44891122 SJDICOFUICQDLF-ZDUSSCGKSA-N 392.477 2.807 0 40 GFAB CCc1cc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC 223889238 IIRKASUKUZUGSH-ZDUSSCGKSA-N 397.518 2.701 0 40 GFAB Cc1c(-c2cn3cccnc3n2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 95471891 LJESYNRLJVMCJA-UHFFFAOYSA-N 375.413 2.759 0 40 GFAB COc1ccc(CN2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)cc1 96059354 UNRMVNXGZRLGGW-UHFFFAOYSA-N 375.472 2.901 0 40 GFAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N[C@H](C)c2nnc3ccccn23)cc1 95476466 ZQZQUSVYBXRREP-CQSZACIVSA-N 390.447 2.856 0 40 GFAB COc1ncc([C@]2(O)CC[C@@H]3CN(Cc4cc(C)ccc4OC)C[C@H]32)c(OC)n1 247907837 KMDUGRKGKQFJOG-YBOAYWMSSA-N 399.491 2.540 0 40 GFAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cnn(C)c1)C3 257280616 OLOUYVCQXSOCEU-FUHWJXTLSA-N 397.475 2.820 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCCN(c3ncccc3F)CC2)cc1C 585083841 ZUUWXXADQIUMRO-UHFFFAOYSA-N 377.485 2.880 0 40 GFAB CO[C@H](C(=O)N1CCOc2c(Cl)cc(Br)cc21)[C@@H]1CCOC1 622873431 OBMCVWDMIBEMRZ-RNCFNFMXSA-N 390.661 2.879 0 40 GFAB CCO[C@@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C(C)C 624979873 OIOWJBKFBSDMLM-LJQANCHMSA-N 394.537 2.811 0 40 GFAB Cc1ccc(Cc2ccccn2)cc1NC(=O)c1nnn([C@H]2CCNC2)c1C 662540198 SYHKIFCKZRAODP-SFHVURJKSA-N 376.464 2.667 0 40 GFAB Cc1ccc(CC2CN(C(=O)N[C@H](C)Cn3ncc4ccccc4c3=O)C2)cc1 664550352 DIRBIFLYTDWJJI-QGZVFWFLSA-N 390.487 2.978 0 40 GFAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2CC1(O)CCN(c2ccccc2C)CC1 585282536 FZSNYCIGLJMQTC-FGZHOGPDSA-N 385.552 2.802 0 40 GFAB CN(C(=O)C[C@H](n1cccn1)C(F)(F)F)c1ncc(Br)cn1 585114299 AOABSNFYLIADEL-VIFPVBQESA-N 378.152 2.592 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)N3CCCC[C@@H]3CC)n2N)cc1 5218365 XQPXVXQBFHCAPR-HNNXBMFYSA-N 389.525 2.941 0 40 GFAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(C)(=O)=O)c1 5574302 DQOWXSOPBBAMCH-ZDUSSCGKSA-N 376.434 2.551 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 12365183 LHEIGZRRMPIKNW-HZPDHXFCSA-N 379.464 2.845 0 40 GFAB O=C(O)CNC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 12985763 ANFBPPDXCFNZPV-UHFFFAOYSA-N 383.838 2.898 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 13585742 IGSODQGNHXWPJF-UHFFFAOYSA-N 392.458 2.535 0 40 GFAB CCOC(=O)C1=C(C)N(CCCN(C)C)C(=S)N[C@H]1c1ccc(F)cc1 14876395 ZHFZRBJUPPOXOE-KRWDZBQOSA-N 379.501 2.846 0 40 GFAB CCOc1ccc(CCNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1OCC 15941033 JZPVTBOKFQHVLO-FOIQADDNSA-N 392.521 2.597 0 40 GFAB CC(C)=CCCC(=O)Cc1nc2nnc(N)n2nc1CC(=O)CCC=C(C)C 16942777 JQNMYXDLLJQPHH-UHFFFAOYSA-N 384.484 2.818 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1cc[nH]n1)Cc1ccccc1O2 19016334 SJTYTMIJEVKFDU-UHFFFAOYSA-N 382.464 2.604 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)n[nH]3)ncc2C1 19451847 LBBJWFRDGRPOMX-LJQANCHMSA-N 396.495 2.595 0 40 GFAB CCNc1cc(-c2ccc(C(=O)N3CCCC3)cc2)nc(N2CCOCC2)n1 19529414 NKABTWWQDKKAOJ-UHFFFAOYSA-N 381.480 2.648 0 40 GFAB CCOc1cc(CN2CCC[C@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC 19532000 XXVPSXOGLBHACO-INIZCTEOSA-N 387.480 2.703 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)n1 19572951 RAUMBXGHZARRDO-ZWKOTPCHSA-N 396.539 2.635 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCCN4C)n3CC1)CCCC2 19706340 HNHADABCQRLNRU-MRXNPFEDSA-N 383.496 2.524 0 40 GFAB CCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C(C)=C1C(=O)OC 19819209 KQLVASDVQFFFKU-CYBMUJFWSA-N 384.354 2.641 0 40 GFAB C[C@@H](CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2)n1ccnc1 248155743 IKWAXFPCITVAAK-WDSOQIARSA-N 393.491 2.769 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@](O)(COc2ccc(F)cc2)C1 2037915906 ACJSQQLATRHFBO-LLGFUMIMSA-N 378.488 2.821 0 40 GFAB CC(C)Cc1nc(SCc2ccccc2F)c2c(=O)n(C)c(=O)n(C)c2n1 4341219 MTAUIPXSYYSNBN-UHFFFAOYSA-N 388.468 2.657 0 40 GFAB COc1ccc(Cl)cc1-n1ccn(CC(=O)Nc2ccc(C)cc2)c(=O)c1=O 4569979 FMFFCOPJNZFAMQ-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3OC)n2)cc1 5396387 UETFCFNYIXWXCS-UHFFFAOYSA-N 393.443 2.634 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 8844927 CSQUTJLPGLNYMK-OAQYLSRUSA-N 381.432 2.718 0 40 GFAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(Br)o1 11853327 FYSNXHSYQPRBSM-UHFFFAOYSA-N 392.297 2.984 0 40 GFAB O=C(Nc1cc(Cl)ccc1Cl)N1CCN(c2ccc3nncn3n2)CC1 13700344 UOMQIAFBDGNLNP-UHFFFAOYSA-N 392.250 2.785 0 40 GFAB Cc1ccccc1CN1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055781571 PFPXVBDUWRTHHG-UHFFFAOYSA-N 380.414 2.861 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@H](O)COC[C@@H]1C[C@H]3CC[C@H]1C3)CC2 106219876 CYWXNJFSKDHIKG-FVCZOJIISA-N 375.509 2.876 0 40 GFAB biogenic COc1c(F)c(F)cc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)c1F 575617267 VGULOCBUJSHAAM-UHFFFAOYSA-N 376.338 2.838 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c1 19079280 RLWPNOPZVHVDIG-QRWLVFNGSA-N 396.491 2.652 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCCN5)ncc4C3)ccc2O1 19497966 DTBKCMZUXJFLSG-IFXJQAMLSA-N 378.476 2.813 0 40 GFAB CCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 8129324 BRKDLUVTIQIEBP-UHFFFAOYSA-N 378.432 2.505 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC(c2nc(-c3ccc(OC)cc3)no2)CC1 57354824 QKCWODZXMPUEDA-UHFFFAOYSA-N 394.497 2.511 0 40 GFAB CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1nc2ccccc2n1C(F)F 52134482 KNESBRINNHRZRH-ZDUSSCGKSA-N 386.468 2.725 0 40 GFAB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C)cs1 32722021 VGRGHGKBEWXXQH-IINYFYTJSA-N 392.506 2.543 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N[C@@H](C)c2cc(O)nc(N3CCC(C)CC3)n2)CC1 100775211 RBWYSOTVHKCAMH-HRCADAONSA-N 376.501 2.801 0 40 GFAB C[C@]1(c2cccc(NC(=O)c3ccc(Br)cc3)c2)NC(=O)NC1=O 32931472 ZYLBAWHZADSYAN-QGZVFWFLSA-N 388.221 2.756 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)cc1OC 100137845 TUUARKXWSGJBQH-OAHLLOKOSA-N 396.447 2.780 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCN1C(=O)[C@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 101270944 BQQVNSIEULXIPZ-SRLQQUAWSA-N 388.508 2.609 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 12526425 MGPDXFKBRIOGHG-OAHLLOKOSA-N 392.452 2.844 0 40 GFAB COc1ccc(C)cc1CN1CCN(C(=O)Cc2cn3ccsc3n2)CC1 23845507 DYWMZRBSZYNWJI-UHFFFAOYSA-N 384.505 2.600 0 40 GFAB CCc1nccn1[C@H]1CCCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1 106212119 NBKFAZXLCWTBOJ-AWEZNQCLSA-N 397.479 2.536 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1 20494029 LTABUYZQKCSXDW-UHFFFAOYSA-N 390.461 2.553 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CCN(CCO)CC3)c(-c3ccccc3)n2)cc1 25637974 JDZRWZBLPTUVIJ-UHFFFAOYSA-N 390.487 2.598 0 40 GFAB C[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCCc5ccccc54)c(=O)c23)C1 1784835 IDRFWCABLFDQMQ-CYBMUJFWSA-N 394.500 2.957 0 40 GFAB CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473147 PGWZTIFOGQCQBS-UHFFFAOYSA-N 399.878 2.780 0 40 GFAB COc1ncccc1CNC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 108687936 GMFUMTXQPCRMNN-UHFFFAOYSA-N 389.362 2.511 0 40 GFAB Cn1ccnc1Sc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 57996533 IQITUXLLGZJAOG-UHFFFAOYSA-N 391.456 2.920 0 40 GFAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(SCC(N)=O)s2)cc1 12621552 ZMUBAZDENVZWKS-VIFPVBQESA-N 382.536 2.797 0 40 GFAB CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1c(Cl)nc2ccccn12 58173379 VDCZEIAHFOPLPC-CQSZACIVSA-N 379.869 2.954 0 40 GFAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 58194684 VAQUVPDQPZXHRY-GOSISDBHSA-N 377.322 2.510 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)Cc1c(C)nn(C)c1C 10199346 JDAMBZOXTRLWCW-UHFFFAOYSA-N 379.844 2.732 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(=O)[nH]c2ccccc12 3350249 QBOJHUVEFDXWTD-UHFFFAOYSA-N 389.333 2.656 0 40 GFAB Cn1cc(-c2nc(C(=O)NCCc3cnn(-c4ccccc4)c3)cs2)cn1 44958471 IIRZGGFGUXRTHO-UHFFFAOYSA-N 378.461 2.702 0 40 GFAB O=C(O)c1ccc(CN2C(=O)S[C@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1 2200868 CTJGFHDKWNVPHG-AWEZNQCLSA-N 386.385 2.717 0 40 GFAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)cc1 2230339 HWKOYKIDVBBRFU-HSZRJFAPSA-N 394.471 2.946 0 40 GFAB C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)c(F)c1 12796331 OCWHRJLLFXMAHH-LLVKDONJSA-N 387.338 2.766 0 40 GFAB CN(C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 12821828 HDDNIQXONGFQOP-UHFFFAOYSA-N 384.476 2.525 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCO[C@H](c2ccc(F)cc2)C1 12943094 CCAJARHGFMZMSY-IBGZPJMESA-N 393.436 2.749 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 38853644 LZBNTLNTSNXSFK-MRXNPFEDSA-N 382.388 2.521 0 40 GFAB CCC(=O)c1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 6029135 RPSGDLLZFNFQAD-ZDUSSCGKSA-N 399.399 2.957 0 40 GFAB CSc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20245693 GTLUDDNAMGBDQN-UHFFFAOYSA-N 379.507 2.903 0 40 GFAB CCn1cnc2cc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)ccc21 5451986 ZLFMGTMXNWUOGI-UHFFFAOYSA-N 384.461 2.766 0 40 GFAB COc1ccc(NC(=O)C[C@H](NCCc2c[nH]c3ccccc23)C(=O)O)cc1 8765290 YWRHZEJRMBWNBX-IBGZPJMESA-N 381.432 2.791 0 40 GFAB biogenic COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccccc4Cl)C[C@H]32)cc1 67897207 AUTNEDLCPQCJMC-UXHICEINSA-N 386.879 2.960 0 40 GFAB biogenic,in-vitro C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 15497056 WFZIJGUAXRZBBI-GFCCVEGCSA-N 388.395 2.652 0 40 GFAB COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(C3CCC3)s2)CC1=O 61717678 CGLSUAXZAUSRGY-AWEZNQCLSA-N 386.477 2.801 0 40 GFAB CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 15623759 WXFMGNURFMNPPU-OAQYLSRUSA-N 397.500 2.834 0 40 GFAB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 67787451 JZAMUUCGSIFOFQ-HNNXBMFYSA-N 390.443 2.832 0 40 GFAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 9245561 KOPUBCXGUQCGQS-JOCHJYFZSA-N 377.444 2.874 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)N2CCc3ccc(O)cc3C2)cc1OC 72291829 SFPSRHMCDBWOQL-HNNXBMFYSA-N 384.476 2.515 0 40 GFAB O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 84525625 RJNFUZSLUQMAFM-OALUTQOASA-N 378.428 2.539 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cnn(-c3cnn(-c4ccccc4)c3)c2)cc1 20249647 MQMJREVVVHIOEB-UHFFFAOYSA-N 395.444 2.867 0 40 GFAB O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccc(Br)s1 25652431 HJDMBOCVIYCDNL-SECBINFHSA-N 390.280 2.629 0 40 GFAB Cc1nc2ncnn2c(N2CCC3(CC2)C[C@](O)(c2ccc(F)cc2)CO3)c1C 72335446 NCJSAJIBYUAKOE-OAQYLSRUSA-N 397.454 2.527 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1 72402045 LTTOTJYGTSBCNY-UHFFFAOYSA-N 391.309 2.691 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)cc2)Oc2ccc(Cl)cc21 38849313 BQWRCFCZWBUOTC-HNNXBMFYSA-N 384.816 2.645 0 40 GFAB Cc1cc(-c2cnc(NCc3ccc(S(N)(=O)=O)cc3)nc2C2CC2)on1 72340360 QSWVFXWMMPFBST-UHFFFAOYSA-N 385.449 2.577 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CCC2(CC1)OCCS2 70637387 LPJMJHCJHXMLAA-UHFFFAOYSA-N 384.342 2.755 0 40 GFAB CC(C)NC(=O)Nc1ccc(CNS(=O)(=O)N(C)C2CCCCC2)cc1 32442655 MQALPJLZCUQMOO-UHFFFAOYSA-N 382.530 2.815 0 40 GFAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(CO)o3)n2)cn1 35425183 VAXFDNKOYKQCLN-KRWDZBQOSA-N 399.451 2.612 0 40 GFAB biogenic,in-vitro CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ncccc2c1=O 32876468 MOYMMKRHERYDAX-UHFFFAOYSA-N 376.388 2.820 0 40 GFAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 79489564 VPMLGPODWSOLNT-HXUWFJFHSA-N 384.476 2.905 0 40 GFAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)n1-c1cccnc1 223570915 VEURMRQAMZUOHI-RTBURBONSA-N 379.489 2.541 0 40 GFAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399601 DVCVDXHOFCJIRG-AWEZNQCLSA-N 393.378 2.717 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 229941720 HHFWRFGKCJOBML-FZONSQQESA-N 392.455 2.685 0 40 GFAB O=C(/C=C/c1ccco1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 49422422 MLHWRAZMMYEZSE-VMPITWQZSA-N 376.420 2.570 0 40 GFAB CSc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 225079052 GYNQTEKGDSOPHO-UHFFFAOYSA-N 376.459 2.863 0 40 GFAB COc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1N1CCCC1=O 225801096 DPTDKMNPJQSFNA-UHFFFAOYSA-N 398.550 2.776 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)O2 44934292 WCWYCTAAZYDYPP-UGSOOPFHSA-N 392.452 2.539 0 40 GFAB CCCc1ccc(OCCNS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 225196973 BGAHTCATHRRHNH-UHFFFAOYSA-N 377.462 2.783 0 40 GFAB Cc1ccc([C@@H](CNC(=O)C[C@H]2OC(=O)c3ccccc32)N2CCOCC2)cc1 97207926 NJIMJNLTCBVPFT-NHCUHLMSSA-N 394.471 2.786 0 40 GFAB CCOc1ncccc1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 252488231 INZJHOQUDYAATF-UHFFFAOYSA-N 380.433 2.577 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2c[nH]cn2)C1 257237055 HEYIOGVGLDXCLK-HNNXBMFYSA-N 381.484 2.917 0 40 GFAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[C@@H]2CCCN2C)c1 257266985 MFKHWHYVIUGXPA-IBGZPJMESA-N 380.492 2.599 0 40 GFAB Cc1cnc(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 257316599 VGFWFJNKZUTJAF-SFHVURJKSA-N 382.395 2.717 0 40 GFAB Cc1cccc(CN2CC[C@H](NC(=O)c3cnn(C4CCOCC4)c3C)C2)c1 634275495 RPSZMPXEEGARJO-IBGZPJMESA-N 382.508 2.856 0 40 GFAB COc1ccc(-c2nc(CCNC(=O)c3cn(C)nc3C(F)F)co2)cc1 1136523923 JSZWYACJZLNCRE-UHFFFAOYSA-N 376.363 2.994 0 40 GFAB N[C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 652383155 BLNLQIDEWVEPPW-UTUOFQBUSA-N 398.472 2.816 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390830737 MZVNZHCDKKSYSI-SFHVURJKSA-N 379.428 2.896 0 40 GFAB Cn1cc(/C=C/C(=O)N2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cn1 585290359 QOJNEZQWYWZPEL-OFPNUDFGSA-N 381.476 2.800 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585183572 BXEBAFWXIBAZNJ-NRFANRHFSA-N 379.504 2.552 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccnc(N(C)C)c2)cc1C 68113277 AEHCSZBGYJOVCD-QGZVFWFLSA-N 384.505 2.918 0 40 GFAB O=C1CN(c2ccc(NC(=O)C(=O)c3ccc4c(c3)CCC4)cc2Cl)CCN1 65593715 YEJDXJPPUVOGAD-UHFFFAOYSA-N 397.862 2.586 0 40 GFAB COc1ccc(CC(=O)N2CCO[C@@H](c3noc(-c4ccccc4)n3)C2)cc1 96000866 DQDNNWPMRGENLY-GOSISDBHSA-N 379.416 2.888 0 40 GFAB COc1ccccc1NC(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1 169768640 IYSQYMGHYOMZGB-UHFFFAOYSA-N 383.477 2.852 0 40 GFAB Cc1occc1-c1nn(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(=O)o1 12182932 KEBFZCYYEQOZLE-UHFFFAOYSA-N 385.395 2.950 0 40 GFAB COc1ccc(S(=O)(=O)NCC2(CC(=O)NC3CC3)CCCCC2)cc1 13683305 AMGRFMSYCZBZKY-UHFFFAOYSA-N 380.510 2.593 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2s1 13728004 UJKGKOZAEKJEAL-UHFFFAOYSA-N 387.486 2.866 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccnc1 15435608 CSIOESXNJQSMLU-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB Cc1ccc(-n2cccc2CN(CCN2CCOCC2)Cc2cccnc2)nc1 19216221 VZQRYFBWEYFMPB-UHFFFAOYSA-N 391.519 2.910 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nc[nH]n3)c(=O)c2c1-c1cccc(C)c1 19821629 BRDILALAKSGRJJ-UHFFFAOYSA-N 375.388 2.574 0 40 GFAB COc1cccc([C@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2nccn2C)c1OC 100162676 PIWOIMWMPOQPPG-DAYGRLMNSA-N 387.480 2.848 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)c(C)o1 1888843489 CVLNTKDPKXFQQA-BETUJISGSA-N 380.370 2.914 0 40 GFAB O=C(c1cccnc1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775996204 ZZYTWZJZTLQIPH-GFCCVEGCSA-N 377.242 2.565 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037841111 WOHLEVFVIBGGHT-UHFFFAOYSA-N 382.435 2.793 0 40 GFAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ncn2)n1 2087045445 GTOQJQVATCQSTD-HZPDHXFCSA-N 384.484 2.582 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565546463 CDHAVTPHGIMQDM-UHFFFAOYSA-N 386.883 2.637 0 40 GFAB Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CS(=O)(=O)C2 4088642 FLJOFXRFQOXOBL-UHFFFAOYSA-N 399.447 2.929 0 40 GFAB COc1ccc(OC)c2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 4518066 GMIIFVRLPKHDAF-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB CC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 5252356 XULXDLQUJCNNOL-UHFFFAOYSA-N 388.445 2.558 0 40 GFAB CC(=O)Nc1nonc1-c1nnc(SCc2ccc(F)cc2Cl)n1C 8614130 OZMLITNMNQFNGK-UHFFFAOYSA-N 382.808 2.908 0 40 GFAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1ccc(S(N)(=O)=O)cc1 8997338 WTCZCGJZKUNSSV-UHFFFAOYSA-N 396.881 2.532 0 40 GFAB Cc1ccc(CN2CCC[C@@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)cc1 2055772410 GQAPCGHGXCDRLE-GOSISDBHSA-N 380.414 2.861 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2cc(-c3ccccn3)nn2C)cc1OC 1775966536 JXGARWMADWHJJF-CSKARUKUSA-N 378.432 2.829 0 40 GFAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)NCc3ccc(F)cc3)o2)c1 42381244 FBBFRVDFMSOCKH-UHFFFAOYSA-N 390.396 2.601 0 40 GFAB CCOc1ccc(S(=O)(=O)NCC2CCN(c3ccccn3)CC2)cc1C 43955271 UQTLPWJBAGITKW-UHFFFAOYSA-N 389.521 2.984 0 40 GFAB Cc1nn(CCNS(=O)(=O)c2c(C)noc2C)c(C)c1-c1cccs1 575612346 BQPFXDJYUGYCKG-UHFFFAOYSA-N 380.495 2.812 0 40 GFAB CCOC(=O)CCC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207013380 YTUDNLSJJIOBOL-CYBMUJFWSA-N 377.466 2.923 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19559020 SYULFWNLRZUKPT-CYBMUJFWSA-N 386.883 2.804 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2cc(C)c(C)cc2C)cc1 77184813 UETOLJYVXPRQCS-HXUWFJFHSA-N 377.506 2.892 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@@H]3C2=O)cc1 100033068 DEABHCWMQZVLQR-OALUTQOASA-N 391.431 2.544 0 40 GFAB Cc1nn(-c2ccccn2)c2ncc(C(=O)NCc3ccc4c(c3)OCO4)cc12 40089864 TYOXQJKXFMXWME-UHFFFAOYSA-N 387.399 2.783 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cnc(-c2ccccc2)s1 40108706 WXAKUOSZYSCYGA-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1nc2c(s1)CCCC2 783297 JUCYJUZPBPXCTD-UHFFFAOYSA-N 390.469 2.868 0 40 GFAB COC(=O)[C@@](F)(Sc1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F 2501611 NGYNVYHQZLAOJE-CQSZACIVSA-N 378.347 2.978 0 40 GFAB Cc1cccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2nccs2)c1 4848328 XATKOKOBFMMITC-UHFFFAOYSA-N 388.493 2.728 0 40 GFAB COc1cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC 32103212 IDNAJUVPZXNHSC-LJQANCHMSA-N 391.807 2.779 0 40 GFAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc(OC)c1O 20739078 GZRITFOETMAEBG-LBPRGKRZSA-N 381.392 2.817 0 40 GFAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)NC(C)(C)C)c1=O 57493586 FTZTYLVARMOWNW-UHFFFAOYSA-N 389.452 2.576 0 40 GFAB COc1ccc(N(CCCC(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 10365566 UYOVHTBLCREVAT-UHFFFAOYSA-N 388.917 2.954 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccccc1CN1CCCC1 8012902 ZSYLCPYHHOTZSX-UHFFFAOYSA-N 393.487 2.714 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 8470207 IHFQUXIDEHXIKB-MRXNPFEDSA-N 384.432 2.865 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1C 2642414 SZKRQGYRRJOYIO-MRXNPFEDSA-N 397.475 2.670 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc1 109342656 VUTWCUYQVOAFSI-YVLHZVERSA-N 395.415 2.549 0 40 GFAB CCOc1ccc(-c2nc(COC(=O)[C@H]3CCC(=O)N3)cs2)cc1OC 32721837 FYDZZKPIHKDKOW-CYBMUJFWSA-N 376.434 2.539 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N[C@@H]1CCSc2ccccc21 32808723 ABHXCZPFFCQPDC-OAHLLOKOSA-N 387.505 2.985 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(CC(N)=O)cs2)cc1 32905462 VAKPKMDMHKYGIE-UHFFFAOYSA-N 379.441 2.963 0 40 GFAB O=[S@](CCSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 32931622 ZQKRTRXOYZPNDS-DEOSSOPVSA-N 396.559 2.766 0 40 GFAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCOCC3)o2)cc1 22025363 BUOAHHAJDIMPRH-AWEZNQCLSA-N 390.509 2.922 0 40 GFAB O=C(CCc1c[nH]c2ccccc12)Nn1cnc2c(cnn2-c2ccccc2)c1=O 8133406 HVYOMMPDYLNNEZ-UHFFFAOYSA-N 398.426 2.766 0 40 GFAB O=C(c1cccc(OC(F)F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 57363735 JJAYYSIOJXTGAB-UHFFFAOYSA-N 390.386 2.975 0 40 GFAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCc2ccccc2)C3)cc1 12346335 UKBZDBKOSXZCAZ-FQEVSTJZSA-N 377.444 2.778 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)ccc21 803049 MQEZEOUMPTTWLM-UHFFFAOYSA-N 393.848 2.702 0 40 GFAB Cc1cc(N2CCN(C(=O)[C@H]3CCCN3C3CCCC3)CC2)nc(C(C)C)n1 89599281 KTDDVUGDIWGISV-LJQANCHMSA-N 385.556 2.964 0 40 GFAB CN(C)C(=O)N1CCC(C(=O)/N=c2/sccn2Cc2ccccc2F)CC1 104312918 OCILALCGNXUYAV-DYTRJAOYSA-N 390.484 2.558 0 40 GFAB CCN(CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 23197903 WDWHUUYBJMULOK-PZJWPPBQSA-N 380.488 2.837 0 40 GFAB COc1ncccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 47553807 OJJKMBCKGLRAGY-CQSZACIVSA-N 389.477 2.906 0 40 GFAB Cc1cc(C)n2ncc(C(=O)N[C@H](c3ccccc3F)c3nccn3C)c2n1 12535314 AEWVDOFEKVDICU-QGZVFWFLSA-N 378.411 2.738 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 24949989 VYFMCURIFXNHEJ-QGZVFWFLSA-N 379.460 2.720 0 40 GFAB COCCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 3222240 PITHIQNOKBQYQG-UHFFFAOYSA-N 375.432 2.841 0 40 GFAB NC(=O)COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 57259052 MTOHNPUCLKOYFH-OAQYLSRUSA-N 375.428 2.598 0 40 GFAB CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 26538874 NFCWLUCJZNNIQM-UHFFFAOYSA-N 398.459 2.781 0 40 GFAB CCC[C@@H](C)NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 408545915 BKKXIUYAIGNBEV-GFCCVEGCSA-N 391.331 2.828 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 12624076 PIGPYSBCGDJYOM-KRWDZBQOSA-N 375.450 2.712 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1N1CCCC1=O 10180118 FIZVTSSMXABITL-OAHLLOKOSA-N 392.459 2.989 0 40 GFAB O=C(Cc1ccccc1)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 12798631 SDAARBOIMXAYOP-IBGZPJMESA-N 394.471 2.870 0 40 GFAB C[C@H](CC(=O)N[C@@H](c1ccccc1)c1nccn1C)NC(=O)c1ccccc1 12735672 NSKIWBGYTYKYON-UZLBHIALSA-N 376.460 2.834 0 40 GFAB Cc1cc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)ccc1F 10552067 XPJNVEWBLKCFIQ-CYBMUJFWSA-N 376.453 2.775 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(C(=O)C(C)C)CC1 12875255 IQSSQNAUWILGBO-AWEZNQCLSA-N 381.904 2.784 0 40 GFAB Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 12805567 JRAPGVIRLVMTMK-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@H](C)O[C@H](C)C3)n2)cc1C 28218704 NIVBRLITHDHJOQ-CALCHBBNSA-N 398.511 2.682 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(C(=O)c3cccs3)CC2)c1 8388656 KCPKWWJIBPDCJO-VMPITWQZSA-N 386.473 2.763 0 40 GFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCc1ccc2c(c1)OCO2 13020454 HMJMYYVRKKECKK-CQSZACIVSA-N 389.473 2.971 0 40 GFAB Cc1ccn2cc(C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)nc2c1 8394029 BCWWESLYZYRTJM-UHFFFAOYSA-N 389.419 2.819 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCCCC1)c1ccco1 6083138 JTVGIIMFQSLALZ-SFHVURJKSA-N 398.459 2.567 0 40 GFAB COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2nnc(C)o2)cc1OC 39575639 FGULUXXSBHTINY-UHFFFAOYSA-N 377.397 2.737 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)Oc3cc(C)ccc32)cc1 64985939 NBXJWSRBCAVZSG-IBGZPJMESA-N 388.489 2.784 0 40 GFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1ccccc1F 6260689 IVZUDZMNSRLDIV-UHFFFAOYSA-N 382.482 2.531 0 40 GFAB O=c1c2ccccc2ncn1CCS(=O)(=O)N1CC=C(c2ccccc2)CC1 14076872 KRQMDBYELFFEEV-UHFFFAOYSA-N 395.484 2.516 0 40 GFAB COC(=O)C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccccc1Cl 14076652 OFUSDCDTIUUZHU-INIZCTEOSA-N 380.872 2.757 0 40 GFAB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(Cl)c(Cl)c1 4512363 XDBLINCRGNVXGY-NZTKLZGJSA-N 384.215 2.673 0 40 GFAB O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 8705856 BECJZPSWQWTWDL-UHFFFAOYSA-N 383.853 2.859 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1C 7005513 VBPKIAKILPUAGC-QFIPXVFZSA-N 393.443 2.800 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1-n1cncn1 7734919 UPMDEBZCNRHBEF-UHFFFAOYSA-N 396.842 2.547 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1OC 9219014 WYVBUZJGSASOMM-CYBMUJFWSA-N 390.509 2.819 0 40 GFAB Cc1cccc(Nc2nnc(SCC(=O)NC(=O)c3cccn3C)s2)c1 9469618 KKFPLQIKEVFTJC-UHFFFAOYSA-N 387.490 2.977 0 40 GFAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc(OC)c1OC 9709710 FGCQOOXQOTXWHT-UHFFFAOYSA-N 395.419 2.953 0 40 GFAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)sc2c1CCCC2 409299027 QMMVPESRTYTPGS-QSFYNPNXSA-N 387.457 2.637 0 40 GFAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2nccc(C)n2)C2CC2)cc1OC 95465287 DBMIMVJSAFFRSM-QGZVFWFLSA-N 377.466 2.540 0 40 GFAB O=C(CSc1cnn[nH]1)Nc1nnc(SCc2ccc(F)cc2)s1 98086768 OPQLPAUYIPDVFI-UHFFFAOYSA-N 382.471 2.818 0 40 GFAB C[C@H](N1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1)C(F)(F)F 95971797 QVOAISUFGUSBMN-JTQLQIEISA-N 388.814 2.877 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCSc1ccccc1 79491862 QARXBUDONIJUDP-UHFFFAOYSA-N 395.484 2.630 0 40 GFAB COc1ccccc1N1CCN(CN2N=C(c3ccccc3)CCC2=O)CC1 79479432 LSBLPLJMHDBTRE-UHFFFAOYSA-N 378.476 2.801 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 408601767 HEOKAVBILZZBMT-INIZCTEOSA-N 388.489 2.507 0 40 GFAB CCCn1nnc(NC(=O)c2cc3ccccc3c(Br)c2OC)n1 408629063 KODQORQACAPIHC-UHFFFAOYSA-N 390.241 3.260 0 40 GFAB O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 306133521 MNUXUEYEUXNZPM-UHFFFAOYSA-N 397.498 2.786 0 40 GFAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)c2cnccn2)C1 72358744 JSGSQSVRIBVOML-HNNXBMFYSA-N 375.432 2.962 0 40 GFAB Cn1nc(N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)ccc1=O 77100945 GXRCWWCCKXSQPA-LBPRGKRZSA-N 380.370 2.654 0 40 GFAB CCn1nc(C)c(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1C 72241267 GYIONLHHURNEIA-QZTJIDSGSA-N 390.871 2.710 0 40 GFAB COc1ccc(CNC(=O)NCC2CCN(c3ccc(C)nn3)CC2)cc1OC 70930167 GFDHLBZJAVQMPN-UHFFFAOYSA-N 399.495 2.518 0 40 GFAB CNC(=O)[C@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 8778206 WMIKMVNGOAEUMY-SXSDINLZSA-N 392.864 2.654 0 40 GFAB COC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218220680 ZKJMIFCSCOFZLW-YESZJQIVSA-N 396.306 2.733 0 40 GFAB O=C(O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cccs1 225123659 BXJDTLNFQKFKCA-UHFFFAOYSA-N 376.253 2.791 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223254454 HEZUABSYFCHVGY-UXHICEINSA-N 392.532 2.801 0 40 GFAB COc1ccccc1N(CCCC(=O)N(C)c1ccccc1)S(C)(=O)=O 224732274 HDVJXVDWIFREDX-UHFFFAOYSA-N 376.478 2.904 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)cc1 225615970 PTBZEUGBFJKRGL-UHFFFAOYSA-N 389.433 2.575 0 40 GFAB CN([C@@H](C(=O)NCCSc1ccccc1)c1ccccc1)S(C)(=O)=O 225784753 YYADHRVRRNZCFY-QGZVFWFLSA-N 378.519 2.528 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1nc(-c2ccccc2)no1 223782193 IJGNIQZCSCIIES-UHFFFAOYSA-N 377.397 2.705 0 40 GFAB COc1ccc(C)cc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223346433 YDSNDFXAPCJJOD-UHFFFAOYSA-N 382.825 2.903 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCN(CCc4ccncc4)CC3)no2)cc1 96305432 GCHGARFRZJVOAJ-UHFFFAOYSA-N 392.459 2.746 0 40 GFAB O=C(CN1CCC(COCc2ccc(Cl)cc2)CC1)NC[C@H]1CCCO1 77191610 FWKOJXFMAFUIDU-LJQANCHMSA-N 380.916 2.864 0 40 GFAB CC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)n(-c3ccccc3)c2=O)cc1 77198085 HFOBAOCLRDMETK-UHFFFAOYSA-N 376.416 2.753 0 40 GFAB CC(C)CN1C[C@H](C(=O)Nc2nc(CCc3c[nH]c4ccccc34)n[nH]2)CC1=O 95480058 FJIOQVFDINTRID-OAHLLOKOSA-N 394.479 2.514 0 40 GFAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)C1CCCC1 96296402 HUHKKTMPWIIJII-INIZCTEOSA-N 383.448 2.527 0 40 GFAB biogenic,in-vitro CC(=O)c1cccc(N(CC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)c1 242559480 CEBJICFFOXCCPM-UHFFFAOYSA-N 382.388 2.572 0 40 GFAB CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@H]3N2C(=O)[C@@H]1C 252515509 KOVMAAYRBJCASY-UVBQOVKKSA-N 398.503 2.551 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1ccc(C)cc1 257279254 OFTMMUHSNQSDQG-NQIIRXRSSA-N 380.492 2.918 0 40 GFAB CCN1CCN(Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257237643 HHKUCXZNMSLVHB-HXUWFJFHSA-N 389.503 2.995 0 40 GFAB Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)n(C2CCOCC2)n1 530262870 CJAAFYYBKSVFBQ-UHFFFAOYSA-N 388.378 2.859 0 40 GFAB Cn1nccc1COCC(=O)N1CC(C)(C)Oc2cc(Br)ccc21 622986800 KLNYEJUPQBPGFT-UHFFFAOYSA-N 394.269 2.903 0 40 GFAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCc1ccnc(OC2CCCCC2)c1 623096530 VLGSTCOVHPRVIP-IEBWSBKVSA-N 399.495 2.856 0 40 GFAB Nc1c(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)sc2ncccc12 635815504 DNDMXNOXZYMXOP-UHFFFAOYSA-N 382.493 2.826 0 40 GFAB Cc1c(C(=O)NCCN2CCCC(C)(C)C2)nnn1-c1ccc(F)c(F)c1 648881623 JGEPTHLWQCJIPL-UHFFFAOYSA-N 377.439 2.706 0 40 GFAB COc1ccc2c(c1)OCCN(C(=O)NC[C@@H]1CCCN(CC(C)C)C1)C2 670143422 CXWBBXKOCPHAHC-KRWDZBQOSA-N 375.513 2.967 0 40 GFAB O=C1[C@@H](O)CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)nc2)no1 585088489 JWMMKJWPUJFPAW-KRWDZBQOSA-N 394.431 2.584 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)Cn2ncc3ccccc3c2=O)cc1 97634900 SYKJXIXGJCHQEJ-LNVKXUELSA-N 390.468 2.744 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NCCOC)s1 5078609 MKIZEIUSLOAGTK-UHFFFAOYSA-N 396.494 2.504 0 40 GFAB C[C@H]1CN(C(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)C[C@H](C)O1 5304234 JPMMYNVEMUDENK-HOTGVXAUSA-N 377.444 2.694 0 40 GFAB COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1 5396224 ARFZPUVDFSOGPP-FQEVSTJZSA-N 384.363 2.670 0 40 GFAB aggregator COc1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 14093945 WZLYWVGEHWPSDB-UHFFFAOYSA-N 394.468 2.551 0 40 GFAB O=C([C@@H]1CCCCO1)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N2CCCC2)n1 19404093 QVIRKIIMJFLJRN-MSOLQXFVSA-N 396.495 2.700 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529814 UREIKWXMKSDHRU-QOIOWGMHSA-N 384.457 2.520 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1C[C@H]1CCCO1 8334337 QYXADHPDITXUFR-LSCADSNKSA-N 393.443 2.950 0 40 GFAB COCCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OCCCC1 643556743 PLNDSDACJAERNN-UHFFFAOYSA-N 382.888 2.888 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1ccc(F)c(Cl)c1 1889089469 FUMBAGNULYRJDR-KRWDZBQOSA-N 395.843 2.677 0 40 GFAB O=C([C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1)N1CCCCC1 21733410 FVDYEAURRTYAAZ-IRXDYDNUSA-N 387.509 2.698 0 40 GFAB Cc1nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)sc1CC(N)=O 28940927 OTCNUYWYNFDKBE-UHFFFAOYSA-N 390.534 2.810 0 40 GFAB COc1ccc(CCNC(=O)Cn2c(C(C)=O)nc3ccccc32)cc1OC 12364764 QWZRCLPZAIFNEP-UHFFFAOYSA-N 381.432 2.615 0 40 GFAB biogenic,in-vitro COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)cc1OC 85412998 OWDJHXKWXGGDTC-APWZRJJASA-N 382.368 2.876 0 40 GFAB Cc1cnc2n1-c1ccccc1OC1(CCN(C(=O)c3csnn3)CC1)C2 1565547256 HGLOJLBVGCVLCI-UHFFFAOYSA-N 381.461 2.642 0 40 GFAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1 4327700 VTSQWWIYJCBLQA-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1 5150773 UAXQIYOMOMIFAK-UHFFFAOYSA-N 381.417 2.601 0 40 GFAB COc1cc(C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc(OC)c1OC 5153345 QSSGLKIIZQVYPH-UHFFFAOYSA-N 382.416 2.800 0 40 GFAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 5298736 VJFPUNNELAYUCE-LBPRGKRZSA-N 397.547 2.875 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 8844929 MAICLNZQEUJZMP-OAQYLSRUSA-N 381.432 2.718 0 40 GFAB COc1ccc(OC)c2sc(N3CCN(C(=O)c4cc(C)on4)CC3)nc12 9204891 BMKNMRCJTBORDR-UHFFFAOYSA-N 388.449 2.572 0 40 GFAB COc1cccc([C@H](CNC(=O)COc2ccc(C)cc2)N2CCOCC2)c1 23106109 PTPOSAUJZMHXFJ-NRFANRHFSA-N 384.476 2.572 0 40 GFAB Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC(C)C)nc23)cc1 35424856 URASZNLEJPCHBA-UHFFFAOYSA-N 391.431 2.670 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2nc3ccccc3[nH]2)CC1 38489460 DMYUBXUITSUBRH-UHFFFAOYSA-N 392.459 2.820 0 40 GFAB Cc1oc(-c2cccs2)nc1COC(=O)[C@H](CO)NC(=O)c1ccccc1 40156482 DKRAQFAPLFSUGV-AWEZNQCLSA-N 386.429 2.546 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)NC(C)=O)cc1 10849088 IZMYXVFGWNEHSE-HXUWFJFHSA-N 395.459 2.810 0 40 GFAB CN(C(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 11160472 JKEIVOXWYQTROD-UHFFFAOYSA-N 383.400 2.627 0 40 GFAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCC3)cc2c1 892797 KFDVDCDKSVQDBN-IBGZPJMESA-N 394.479 2.824 0 40 GFAB CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cnn(C(F)F)c1C 36614500 UETBWCGDNNPMGM-UHFFFAOYSA-N 375.445 2.631 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc3c2OCO3)cc1 68112752 VGPBPYLHKYPLDX-HNNXBMFYSA-N 386.429 2.578 0 40 GFAB Cc1cccc2cc(CN(CCO)C(=S)NCc3ccccc3)c(=O)[nH]c12 1224301 WFXVXHRRSSINMO-UHFFFAOYSA-N 381.501 2.706 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 1379241 ASYUPMRGDBGEFR-SFHVURJKSA-N 376.453 2.604 0 40 GFAB O=C1Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2C(=O)N2C[C@H](O)C[C@@H]12 3839475 YQVVISHUGRTUHS-CJNGLKHVSA-N 376.334 2.900 0 40 GFAB biogenic,in-vitro COC(=O)[C@@H](CCSC)NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 4023087 PJWIISKJQQDEDD-CYBMUJFWSA-N 388.530 2.625 0 40 GFAB biogenic Cc1cc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C)ccc1Br 51317946 MDUPNOPPBWJLBM-ZDUSSCGKSA-N 379.258 2.555 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)C1CCCCC1 6584578 IGJMYDHNEIEOME-UHFFFAOYSA-N 389.315 2.982 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 6818009 OXCSKUGGFILOJL-UHFFFAOYSA-N 380.495 2.664 0 40 GFAB CCN(c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1)S(C)(=O)=O 10010022 ZYVOVUOTNCHLIP-UHFFFAOYSA-N 390.461 2.693 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2nnc(C)s2)c(C)c1 8474473 KTVZNUKRVWCVLD-UHFFFAOYSA-N 390.465 2.754 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 8476030 LOWIMGBNMDSFKJ-UHFFFAOYSA-N 388.367 2.874 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@H](NC(=O)Cc3ccccc3)C(C)C)ccc21 32722091 ITVQZYUSDBEEBR-JOCHJYFZSA-N 393.487 2.918 0 40 GFAB COC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326343 RZJSTQNQLBFTNR-GJZGRUSLSA-N 388.489 2.591 0 40 GFAB O=C(COc1cccc(NC(=O)C2CC2)c1)NCCc1ccc2c(c1)OCO2 32817885 SPQNZAFFTFQRNR-UHFFFAOYSA-N 382.416 2.502 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc4c3CCCC4)cnc21 32908260 OKPAWRAMZVOBPH-UHFFFAOYSA-N 378.432 2.626 0 40 GFAB CCCCn1nnc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)n1 57316456 JITMUPLRSZCCLN-UHFFFAOYSA-N 384.465 2.762 0 40 GFAB Cn1ncc2c(N3CCN(C(=O)c4cc5c(F)cccc5s4)CC3)ncnc21 22416464 SXPZVZJSGFSHKI-UHFFFAOYSA-N 396.451 2.680 0 40 GFAB CCCCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 12389013 HEKBSFKBJDLXCD-UHFFFAOYSA-N 388.537 2.713 0 40 GFAB COc1ccc(Br)c(C(=O)NCc2ccc(-n3cncn3)cc2)c1 47371029 MIZCGUYUVUYXDK-UHFFFAOYSA-N 387.237 2.968 0 40 GFAB CC(=O)N(c1ccccc1)c1nc(Cn2nnc3ccccc3c2=O)cs1 23191327 YCTTWJGDXBCWOA-UHFFFAOYSA-N 377.429 2.981 0 40 GFAB C[C@H](COc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 55731140 URHAXROUYUHQQP-CQSZACIVSA-N 396.896 2.544 0 40 GFAB C[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1ccc(-n2ccnc2)cc1 23846864 ZVXZDCHGOGEXBI-INIZCTEOSA-N 377.448 2.595 0 40 GFAB CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 106434694 DNVXHEGGXAQVPX-OAQYLSRUSA-N 385.552 2.847 0 40 GFAB COc1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cn1 25258277 ZISCPANZGWSKTR-ZDUSSCGKSA-N 393.241 2.591 0 40 GFAB Cc1c(C(=O)Nc2cnn(C)c2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 25306730 USMOOOBLYPGVLY-UHFFFAOYSA-N 379.445 2.870 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C1 20902814 MALXQFJDEICDIX-CQSZACIVSA-N 375.400 2.610 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 10087396 LGGAQHRLIITHGJ-UHFFFAOYSA-N 388.489 2.816 0 40 GFAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN[C@@H]2CCS(=O)(=O)C2)cc1 10030186 MXUCZKPBVIAOEB-QZTJIDSGSA-N 397.581 2.917 0 40 GFAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1C(C)(C)C 58128729 XWGOYRPFNOMCFI-YVLHZVERSA-N 376.478 2.903 0 40 GFAB C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)c(F)c1 12796334 OCWHRJLLFXMAHH-NSHDSACASA-N 387.338 2.766 0 40 GFAB COc1ccc(NC(=O)c2cnn(C)c2)cc1OCc1cn2ccccc2n1 48242196 ZPCSQGQZFWGHTL-UHFFFAOYSA-N 377.404 2.908 0 40 GFAB CCCc1nnc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)s1 12934779 PLXUVOFVNPQARK-UHFFFAOYSA-N 394.522 2.964 0 40 GFAB CCOc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1OCC 3564687 FEGJKKGXEUJKQA-UHFFFAOYSA-N 383.400 2.937 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 3555616 UYGFJDYBGLBWED-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1N1CCOCC1 8159860 WQWVZTAQWFCRDV-UHFFFAOYSA-N 397.523 2.905 0 40 GFAB COc1ccc2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 4086702 MZYVBQAPXBGUES-UHFFFAOYSA-N 381.384 2.698 0 40 GFAB biogenic COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)c(OC)c1 408647507 JJSYRXVRORQLCH-ZBFHGGJFSA-N 397.427 2.871 0 40 GFAB C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCC1 6049567 LRQMDJSZSAPPOY-AWEZNQCLSA-N 399.944 2.937 0 40 GFAB COc1cc(C2=NO[C@@H](C(=O)Nc3cccnc3Cl)C2)cc(OC)c1OC 5030808 ABNCXFPLYORLME-OAHLLOKOSA-N 391.811 2.893 0 40 GFAB COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCC(N)=O 16959528 HWVAAZWPRPAMMQ-UHFFFAOYSA-N 398.337 2.839 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C(=O)NCC(=O)OCc2ccccc2)C(C)C)cc1 8324301 ZBURZBFVVRXICV-HXUWFJFHSA-N 382.460 2.609 0 40 GFAB Cc1ccc(NC(=O)COCC(=O)NCc2ccc3c(c2)OCO3)cc1Cl 13945644 JCFOPFZSWNDASU-UHFFFAOYSA-N 390.823 2.649 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 20492745 LIOUOZVPNVHOAH-QGZVFWFLSA-N 378.538 2.795 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2)cc1C 4666981 CYUVTFHWMQEAOL-UHFFFAOYSA-N 379.526 2.606 0 40 GFAB Cc1ccc(Cn2nccc2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1 66250564 ALTVYUCTEWWTBF-UHFFFAOYSA-N 396.476 2.631 0 40 GFAB CN(C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl 17909296 DBKDLUNWLVQTOI-SFHVURJKSA-N 384.867 2.538 0 40 GFAB CC(=O)c1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 66677307 STTSNICGADJUMN-UHFFFAOYSA-N 394.471 2.997 0 40 GFAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)ccc1O 5867192 FDOVRCJMODHMEW-GOSISDBHSA-N 384.457 2.937 0 40 GFAB COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccccc1 4998046 BTFCDUSMEHOHDM-UHFFFAOYSA-N 385.493 2.680 0 40 GFAB COc1ccccc1CC(=O)N(C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 4943706 WOQUVDCSSTVRNR-UHFFFAOYSA-N 397.431 2.964 0 40 GFAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2N)c1 6999961 ZSKZBKUKEJESNU-UHFFFAOYSA-N 392.463 2.985 0 40 GFAB CCC(CC)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 7156649 RKXBCXCNXDFGRP-UHFFFAOYSA-N 397.541 2.587 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)C1CCN(C(=O)c2ccco2)CC1 8723579 VNHQGFCYOOETMW-UHFFFAOYSA-N 381.432 2.897 0 40 GFAB CNC(=O)NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 7415148 XUMRQZFRLMINAA-UHFFFAOYSA-N 393.399 2.929 0 40 GFAB CC(C)N(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 71835638 VPQBKWZNXGFATJ-UHFFFAOYSA-N 388.917 2.620 0 40 GFAB CN1CCN(Cc2ccncc2)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306141583 WBAVHBSAAKGJRS-HXUWFJFHSA-N 376.508 2.818 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)N(C2CC2)C3=O)cc1C 95466325 BPZOLIYIHWWHSS-UHFFFAOYSA-N 386.429 2.563 0 40 GFAB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)c1S(C)(=O)=O 95466309 VXOXFCHQOIFNAW-UHFFFAOYSA-N 377.846 2.992 0 40 GFAB CS(=O)(=O)Nc1ccc(CN2CCC(NC(=O)c3cccs3)CC2)cc1 95957546 HEVQECIENRCIDC-UHFFFAOYSA-N 393.534 2.514 0 40 GFAB CCOc1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)cc1F 79111319 MZAIIMYPKNCNCQ-UHFFFAOYSA-N 382.395 2.665 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1OC 79483878 XDJXBZLEVKNXMN-AWEZNQCLSA-N 390.871 2.680 0 40 GFAB O=C(NCCc1ccncc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 79481734 UPEVAPLRZVQERL-UHFFFAOYSA-N 393.896 2.638 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(C1CCC1)C[C@H]2c1cccnc1 306141425 VVQFIAMMUKICLE-PZJWPPBQSA-N 383.517 2.893 0 40 GFAB O=C(NCc1ccc(Cl)cc1)C1CCN(c2nnnn2-c2ccccc2)CC1 35312033 JEEZNAWMKUHCEA-UHFFFAOYSA-N 396.882 2.849 0 40 GFAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccccn1)CCO2 306128326 GXJLQFZZCQFHTE-YLJYHZDGSA-N 386.521 2.790 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2ccccc2)=N1 408992520 TVHMUOIBXYGMTG-GOSISDBHSA-N 380.473 2.818 0 40 GFAB CN(CC(=O)O)[C@@H](C(=O)O)c1c[nH]c2ccc(NC(=O)c3ccccc3)cc12 32092610 ITFZDEKBIFLZKC-GOSISDBHSA-N 381.388 2.562 0 40 GFAB Cc1sc2nc(SCC(=O)N(C)Cc3ccco3)n(C)c(=O)c2c1C 36849557 CCNAFRVBANTFQQ-UHFFFAOYSA-N 377.491 2.956 0 40 GFAB CC(=O)c1cccc(NC(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)c1 40266549 MDOCWTOXPSIEIL-UHFFFAOYSA-N 394.475 2.742 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCC3CCCCC3)s2)cc1 225206135 ZQUCYLVTKFNIJL-UHFFFAOYSA-N 394.522 2.957 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220476371 CRPDWFHAMFZRNS-GFCCVEGCSA-N 378.425 2.822 0 40 GFAB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cccs1 225123604 YECWOOMEGVMPSJ-UHFFFAOYSA-N 390.280 2.879 0 40 GFAB COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 224716040 SQHSEIFGGPGWTQ-UHFFFAOYSA-N 375.780 2.987 0 40 GFAB COc1ccc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)cc1Cl 225656221 NPEZZLNQXCTSHS-UHFFFAOYSA-N 395.912 2.939 0 40 GFAB C[C@H](NC(=O)[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@@H]2CC[C@@H]1C2 195570914 ZARGVBGIFOXWHK-CEHRVZEZSA-N 390.524 2.909 0 40 GFAB COc1ncccc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 77143609 OPOZAWACDUAHCR-UHFFFAOYSA-N 384.417 2.591 0 40 GFAB Cc1cc(NC(=O)c2sc(C)nc2C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 96232783 CBXIFEFATXICKV-GFCCVEGCSA-N 382.511 2.692 0 40 GFAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CCOC2)C1)c1ccccn1 247486448 KURHUPKLZRHODK-OPYAIIAOSA-N 380.492 2.696 0 40 GFAB CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)c2C1 584210556 IGLPANQCRZYVGT-QANKJYHBSA-N 386.883 2.521 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCC2=O)c1 257244112 IJXDDPJOFCNGEW-UHFFFAOYSA-N 392.864 2.894 0 40 GFAB Cn1ccnc1C(=O)N1[C@H]2CCCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257265294 LYBKYCHKWFALIH-FGSXEWAUSA-N 380.492 2.695 0 40 GFAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257217917 DBCPVMFSVTYSHC-AWEZNQCLSA-N 378.473 2.868 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1cccc(Cl)c1 257202367 ALLNCIOHQRABDS-MJGOQNOKSA-N 377.916 2.852 0 40 GFAB CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](C)Oc2cnc3ccccc3c2)C1 592723648 ZLAGDJYRUDXIAB-KPZWWZAWSA-N 395.381 2.529 0 40 GFAB O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cc3n(n2)CCCC3)CC1 649506847 ZUBRXIIIBNPUQT-UHFFFAOYSA-N 376.863 2.970 0 40 GFAB COCCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1nc(C)c[nH]1 67843206 ZRPXSYUHIFBOJF-UHFFFAOYSA-N 377.452 2.729 0 40 GFAB Cc1cccnc1Nc1cc(C[C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)ncn1 585291280 ANPJWAKIEZEGLZ-YOCVDRLZSA-N 394.523 2.823 0 40 GFAB CC(C)(C)NC(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 42380627 KUMKELXKRWRJRH-UHFFFAOYSA-N 398.389 2.781 0 40 GFAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 96121056 HQFCOBPNAQBVNZ-UHFFFAOYSA-N 385.899 2.622 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)o2)cc1 97379671 KUDRUZDFIOVFFK-OAQYLSRUSA-N 388.464 2.792 0 40 GFAB CC(C)(C)n1nc2c(c1NC(=O)Cc1ccc(Cl)cc1)CS(=O)(=O)C2 5077915 AADBJECSUIDPGN-UHFFFAOYSA-N 381.885 2.901 0 40 GFAB CC(=O)Nc1ccc(/C=c2/sc3nnc(/C=C/c4ccccc4)n3c2=O)cc1 5663468 KBNBLYDQMCBEMG-HEMGCLFMSA-N 388.452 2.828 0 40 GFAB Cc1cc(OS(=O)(=O)c2ccc(F)c(C(=O)O)c2)n(-c2ccccc2)n1 11691498 NDAIGKFEDXHWDC-UHFFFAOYSA-N 376.365 2.786 0 40 GFAB C[C@H]1CN(c2ncc3c(n2)CCC[C@@H]3NC(=O)Cc2cccs2)C[C@@H](C)O1 12241174 GRVAKSBYZUGMNF-VBQJREDUSA-N 386.521 2.888 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(F)cc2)NC(=O)N3)cc1 12345946 ZJDPBUYUKRLKCR-IBGZPJMESA-N 381.407 2.527 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NC3(c4ccc(F)cc4)CC3)ccc21 12363399 LRQDAOXBQZVBTK-UHFFFAOYSA-N 378.450 2.707 0 40 GFAB Cc1nc(Cc2ccccc2)nc2sc3c(=O)n(CCN(C)C)cnc3c12 12410001 PPWVITGBGRDLSK-UHFFFAOYSA-N 379.489 2.862 0 40 GFAB CCOCCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(NC(C)=O)ccc21 12422495 RAWIGOBASDKNDG-CZIZESTLSA-N 388.449 2.735 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)n1 12735265 ONVDQNWOWSSRCP-HNNXBMFYSA-N 391.475 2.949 0 40 GFAB Cc1cc2nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)cc(C(F)(F)F)n2n1 13226821 ZPSDGGMMALRGSH-GFCCVEGCSA-N 390.369 2.866 0 40 GFAB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccccc1)S(C)(=O)=O 13711083 VRUBTYMWVQCJCJ-KRWDZBQOSA-N 390.461 2.657 0 40 GFAB CNC(=O)[C@@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)C(C)=O 16138788 IAGSLKAUNPLQOV-AWEZNQCLSA-N 386.351 2.778 0 40 GFAB CC(=O)N[C@@H]1CN(C)C2(CCN(C(=O)c3cc(C4CCCCC4)no3)CC2)C1 19704066 JUGGTZNTBNUENQ-KRWDZBQOSA-N 388.512 2.537 0 40 GFAB CN1CCCCC[C@@H]2N(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC[C@@]21C 19713332 YAGJQHZDNDFIIU-ICSRJNTNSA-N 391.537 2.599 0 40 GFAB C[C@@H](c1cc(=O)[nH]c(NCc2ccc(F)cc2)n1)n1ncc2ccccc2c1=O 19717929 IKXLUFHIHFJYFD-ZDUSSCGKSA-N 391.406 2.840 0 40 GFAB O=C(CC[C@@H]1CCCO1)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145923 SQAIKYVBHBUXPJ-FHWLQOOXSA-N 383.492 2.880 0 40 GFAB CCN1C[C@H](CN(C)Cc2cc(=O)n3ccc(C)cc3n2)Oc2ccccc21 16423597 MCCQPSDAWJXRBQ-SFHVURJKSA-N 378.476 2.722 0 40 GFAB CN([C@@H]1CCN(c2ncnc3ccsc23)C1)S(=O)(=O)Cc1ccccc1 1888913263 OJAOZMFEDHVBAB-OAHLLOKOSA-N 388.518 2.732 0 40 GFAB CCc1nc2c(c(=O)n1CC1CC1)CCN(C(=O)Cc1cccc(F)c1)CC2 1565542217 JILKHEPQVREHGJ-UHFFFAOYSA-N 383.467 2.525 0 40 GFAB CCOC(=O)N[C@]1(C(F)(F)F)N=C(O)N(c2cccc(C(F)(F)F)c2)C1=O 3626849 IGODLDDHXSVVEX-GFCCVEGCSA-N 399.247 2.971 0 40 GFAB CCCn1c(=O)c2c(nc3n2CCCCN3c2ccc(OCC)cc2)n(C)c1=O 4370612 VPPFYWZSNZDIOI-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1OC 4374621 QIHRNWFQJVQBPC-INIZCTEOSA-N 397.431 2.833 0 40 GFAB O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(Cl)cc1 16847324 MDZYXAWWCLCGQH-UHFFFAOYSA-N 385.895 2.915 0 40 GFAB CN([C@@H]1CCCN(c2nc3c(F)cc(F)cc3s2)C1)S(=O)(=O)C1CC1 2086889412 UAROAAXJJQKKHH-LLVKDONJSA-N 387.477 2.967 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792544 MCHLZSBDPQSVGR-UHFFFAOYSA-N 392.912 2.520 0 40 GFAB COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3cc(C)nc(C)n3)C2)cc1OC 585147510 YTDTVOPZNUANME-DBWMJRBXSA-N 383.448 2.804 0 40 GFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)COc1ccccc1C 206795548 DHZJVAVIFNKQJG-NVXWUHKLSA-N 387.407 2.734 0 40 GFAB COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1 31666904 NBVXTFYXVRQVQB-INIZCTEOSA-N 376.884 2.911 0 40 GFAB O=C(c1cc(-c2ccccc2)on1)N1CCN(C[C@@H](O)c2cccs2)CC1 49031385 DPEHAXIYFRIZKM-QGZVFWFLSA-N 383.473 2.895 0 40 GFAB O=C(/C=C/c1cscn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 50256580 FAXULLSAAXJPFE-RMKNXTFCSA-N 377.491 2.970 0 40 GFAB Cc1ccc(C(=O)NC2CCN(C(=O)C[C@H]3OC(=O)c4ccccc43)CC2)o1 50472103 CLGHOWYJEHXNIG-GOSISDBHSA-N 382.416 2.611 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O 3978408 PVAMXWLZJKTXFW-PZSMJTBPSA-N 390.520 2.575 0 40 GFAB biogenic,in-vitro O=C(CN1CCC(O)(c2ccccc2F)CC1)NCCc1c[nH]c2ccccc12 4383572 CEUMJONYKSBCDZ-UHFFFAOYSA-N 395.478 2.949 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)OCc1ccccc1 6384986 MWRHQEMRZSFNJF-IBGZPJMESA-N 398.459 2.594 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 7778343 NPBSSXPEICWBFX-QAPCUYQASA-N 389.540 2.769 0 40 GFAB Cc1cc(C)c2nc(S[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(C)c2c1 32776048 NOKTWMQZLAIWMT-LSDHHAIUSA-N 392.546 2.944 0 40 GFAB CNC(=O)c1ccc(CNC(=O)NCc2ccccc2OC(F)(F)F)cc1 32794918 VKJKRHZSHYYBAP-UHFFFAOYSA-N 381.354 2.944 0 40 GFAB Cc1ccc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1 100727690 OBNWEUNIRFREEL-RTBURBONSA-N 376.460 2.938 0 40 GFAB Cc1ccc(OCCN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 32788875 IBVGOROWMLNJOI-UHFFFAOYSA-N 390.505 2.705 0 40 GFAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CN3CCN(c4nccs4)CC3)[C@H]1C2 55471755 DASNRJNGYIFZAE-KZNAEPCWSA-N 377.554 2.635 0 40 GFAB C[C@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccccc1F 21642661 SRSCBLPPZOIHAW-HNNXBMFYSA-N 381.407 2.952 0 40 GFAB CC(=O)N1C[C@H](C(=O)Nc2ccccc2N2CCCC2=O)Oc2ccccc21 21600125 VSLAMZKZDOFCAI-LJQANCHMSA-N 379.416 2.566 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccnc1Oc1ccccc1 103146485 YNYSXYBAVVLMJN-HOTGVXAUSA-N 379.416 2.988 0 40 GFAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 53895190 BVMDZGKEMYBEMV-GFCCVEGCSA-N 390.237 2.584 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=O)COc3cccc(C)c3C)cc2)CC1 809794 KYRWXTVQMAPHEF-UHFFFAOYSA-N 381.476 2.989 0 40 GFAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 54099319 YENVTYAZPSYCBV-UHFFFAOYSA-N 379.229 2.645 0 40 GFAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)n2)cc1 23053370 JHFKSSVWVSXRSP-UHFFFAOYSA-N 394.460 2.935 0 40 GFAB COc1cccc2c(NC(=O)CN3C(=O)c4ccccc4C3=O)cc(C)nc12 12323078 KSPRPMRRXBXJIP-UHFFFAOYSA-N 375.384 2.787 0 40 GFAB CN(Cc1nnc2n1CCC2)C(=O)CCC(=O)c1ccc(Br)cc1 58795099 IBQRUEPOIDHRPV-UHFFFAOYSA-N 391.269 2.608 0 40 GFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)n1cccc/c1=N\C1CCCCC1 104752858 AJLRHQPOLVDXKC-JNLUBWBTSA-N 383.492 2.927 0 40 GFAB Cc1ccc(N2C(=S)N(c3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1018774 HVCDMSFKDOPKMG-DLBZAZTESA-N 376.478 2.911 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(C)cc1 24493120 VUBZDSOIRBRQSW-IBGZPJMESA-N 380.444 2.938 0 40 GFAB Cc1ccc(NC(=O)C2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 24635917 JCOOQRLITGKWQN-UHFFFAOYSA-N 380.510 2.925 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3Cl)nc21 24986453 LTIMMOZSOZSWCF-UHFFFAOYSA-N 387.823 2.992 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 12521888 HMGFAOREVVWTFP-MRXNPFEDSA-N 385.917 2.693 0 40 GFAB COc1ccc(OC)c(CNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 44205807 OOFCTGXVNDNUPX-UHFFFAOYSA-N 397.431 2.675 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1c(SC)nc2ccsc2c1=O 57504899 RGDGIRANZNMOCT-UHFFFAOYSA-N 389.458 2.605 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3O2)sc(C(=O)NC)c1C 26890469 YEOVFMZHLPLYJY-ZDUSSCGKSA-N 388.445 2.535 0 40 GFAB CCc1cc2c(=O)n(CC(=O)c3ccc(CNC(C)=O)s3)cnc2s1 57954314 PATNHYGZZHTXGF-UHFFFAOYSA-N 375.475 2.601 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCO3)O[C@@H](C)C2 12552336 RUOLAVASKRXOSW-LBPRGKRZSA-N 391.445 2.981 0 40 GFAB COc1ncccc1CNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 58343298 YXMSIQLPRIYVQP-UHFFFAOYSA-N 386.433 2.607 0 40 GFAB CCOC(=O)c1sc(NC(=O)CNCc2ccco2)c(C(=O)OCC)c1C 3243337 DROYKSNVFXVEOM-UHFFFAOYSA-N 394.449 2.731 0 40 GFAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12761810 RLHLMIDWQSLSNE-XUIVZRPNSA-N 379.511 2.999 0 40 GFAB CC1CCN(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)CC1 12745510 KWDYNLJTTOBUNF-MRXNPFEDSA-N 388.493 2.678 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)Nc1cccc(Cl)c1 12810734 TZEFTJUHQCVHIL-JTQLQIEISA-N 393.900 2.804 0 40 GFAB O=C(/C=C/c1ccc(Br)o1)OCN1C(=O)c2ccccc2C1=O 3435348 JUEKXWZSOTXFOJ-SOFGYWHQSA-N 376.162 2.852 0 40 GFAB C[C@H]1CCc2nc(NC(=O)C3CCN(c4ccc5nncn5n4)CC3)sc2C1 12972311 ASLDBXXFILVVKT-LBPRGKRZSA-N 397.508 2.561 0 40 GFAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2)cs1 12939184 ZBEHBSSWNBKPGL-INIZCTEOSA-N 379.507 2.871 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3ccccc3)CC2)c1C 12902472 YJRHGTNETGJLDT-UHFFFAOYSA-N 380.492 2.769 0 40 GFAB Cc1ccc2cc(C(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)[nH]c2c1 12914765 VIVKBACDRCDNOY-QZTJIDSGSA-N 396.535 2.739 0 40 GFAB CCOC(=O)c1c(NC(=O)c2cnccn2)sc(C(=O)N(CC)CC)c1C 17079647 UYKIIPVKCFRNEO-UHFFFAOYSA-N 390.465 2.758 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1Br 6316013 IDDFFNJLTLGZGH-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1C 5326345 UMGJZMYYSHHPPA-UHFFFAOYSA-N 387.388 2.619 0 40 GFAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5312951 WCKOFZWIJSSEIX-UHFFFAOYSA-N 377.445 2.745 0 40 GFAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C)cc2Br)c1 22743517 DJRMZMKTHHMXHH-UHFFFAOYSA-N 393.237 2.883 0 40 GFAB Cc1ccc(NC(=S)NCCCN(C)C)cc1I 6583938 GYNMYMDRASOPBZ-UHFFFAOYSA-N 377.295 2.838 0 40 GFAB CC(=O)c1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 14350847 RQBHYRFVXXECAC-UHFFFAOYSA-N 380.444 2.689 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 5576547 YETUPOZGUQKQSB-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 18182474 LHJQLLQRYBZHPS-CQSZACIVSA-N 395.506 2.609 0 40 GFAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 6628091 GAIPLTPJZRQLOB-UHFFFAOYSA-N 390.461 2.547 0 40 GFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H]2CC=CCC2)c(=O)[nH]c1=O 6851896 ODZGTGFBDRESGU-KRWDZBQOSA-N 396.491 2.808 0 40 GFAB COCc1c(C(=O)Nc2ccc3c(c2)C(=O)OC3)nnn1-c1ccc(C)cc1 67320997 XHPDVFMGRLHYEN-UHFFFAOYSA-N 378.388 2.645 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c(OC)c1 67479993 AYESHJSJJQINHJ-IBGZPJMESA-N 382.460 2.554 0 40 GFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 7278593 KDOGSPTXGALMSY-NRJQMVOHSA-N 381.476 2.561 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 22226972 ITCMQKANHADGPC-UHFFFAOYSA-N 380.897 2.999 0 40 GFAB CCNC(=O)NC(=O)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 7677931 LFPVKEUCYKPMFA-INIZCTEOSA-N 381.461 2.946 0 40 GFAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CC(=O)Nc2ccccc21 9339209 IDYAALNAXFGQMK-CQSZACIVSA-N 378.432 2.599 0 40 GFAB CCc1c(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cnn1-c1ccc(C)cc1 72298021 UFHAWECCRZHPJI-INIZCTEOSA-N 397.548 2.992 0 40 GFAB CCc1c(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)cnn1-c1ccc(C)cc1 95403654 QYDGYDQWNNKRBT-QZTJIDSGSA-N 384.524 2.660 0 40 GFAB Cc1c(C(=O)N2CCCN(C(C)C)CC2)nnn1-c1cccc2cnccc12 95954795 LNIDGTZBIUBBAN-UHFFFAOYSA-N 378.480 2.680 0 40 GFAB Cc1cccc(N(CCC(N)=O)C(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)c1 95993173 YMQUKPLWYXTSFR-CYBMUJFWSA-N 394.397 2.681 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1NS(C)(=O)=O 38755402 SAERIHWCCPFRFD-UHFFFAOYSA-N 387.461 2.746 0 40 GFAB CC(C)[C@H](C)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 508638882 JRZPJWPQWAXXNV-AUSJPIAWSA-N 386.471 2.939 0 40 GFAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cccc(N2CCCC2=O)c1 125554384 DTEYJSFZUXYMOV-UHFFFAOYSA-N 391.471 2.866 0 40 GFAB COCCNc1cc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)ccn1 35424559 LLGPPNZCKBYTLL-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro O=C(c1ccc(Cl)s1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760933 AWHBWYGZXILIMW-UHFFFAOYSA-N 389.864 2.882 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1 225900493 RXIIAUWBHGCSEF-UHFFFAOYSA-N 392.573 2.780 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1F 40478592 FVTABKVCAAGIQD-UHFFFAOYSA-N 383.423 2.905 0 40 GFAB COc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222759916 DTQQDRSHILWZLN-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1C[C@H]1CCCO1 40398069 PIINXIXCBLIJJQ-GFCCVEGCSA-N 381.823 2.939 0 40 GFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)[nH]1 223170407 ZBGLRWBNVMTMBV-WOJBJXKFSA-N 399.564 2.721 0 40 GFAB CC[C@H](C(=O)NCCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 224297711 JLJZKDWGVLSTSP-GOSISDBHSA-N 378.469 2.729 0 40 GFAB CSc1cccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 223195750 BUOXNADKRLOGGC-UHFFFAOYSA-N 382.482 2.948 0 40 GFAB Cn1nc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n(-c2ccccc2)c1=O 77100564 FDGFTKGTEHJEQY-IQGVVSCOSA-N 388.471 2.990 0 40 GFAB COc1ccc(C2(C(=O)NCCc3nc4ccccc4n3C)CCOCC2)cc1 96223904 LSPSKGGFZMHMAK-UHFFFAOYSA-N 393.487 2.989 0 40 GFAB CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)Nc4ccccc4F)cn23)C1 96156269 RKALHVFMXWDQRN-ZDUSSCGKSA-N 396.426 2.592 0 40 GFAB COc1ccc(Cc2n[nH]c(NC(=O)CCc3ccc4c(c3)ncn4C)n2)cc1 95478533 RYYACYKLSPQBGQ-UHFFFAOYSA-N 390.447 2.862 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc12 96242109 VHDZQFHBRWRQGH-KRWDZBQOSA-N 390.549 2.870 0 40 GFAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ccc2occc(=O)c2c1 95478715 NQRZJUICXONYRR-UHFFFAOYSA-N 379.347 2.589 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)Nc1nccs1 96231157 XMHDXVYVMFTMED-HNNXBMFYSA-N 397.460 2.506 0 40 GFAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257216735 CVWBXDHSOZWIQC-AWEZNQCLSA-N 395.554 2.884 0 40 GFAB O=C1C[C@]2(CCN(C(=O)NCCn3c4ccccc4c4ccccc43)C2)CN1 583671466 IMVKRVQMHQCXAA-JOCHJYFZSA-N 376.460 2.716 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC3(CC2)C[C@@H](Cc2ccccc2)N(C)C3=O)n1 257252124 JTQFOZXWHHAWCM-HXUWFJFHSA-N 394.519 2.582 0 40 GFAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCN)nc(C2CC2)n1 257287883 PRWJBFJVFZUKTG-QGZVFWFLSA-N 378.480 2.626 0 40 GFAB Cn1cncc1-c1cncc(C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1 257212250 CCNHEYCVULRMOM-UHFFFAOYSA-N 387.447 2.773 0 40 GFAB COc1nc(C)cc(C)c1CN(C)C(=O)[C@H]1Cc2ccccc2CN1C(C)=O 623043597 CFTZKYUMPULOFN-HXUWFJFHSA-N 381.476 2.639 0 40 GFAB Cc1ccc(CN2CC[C@@H](NC(=O)c3cccnc3-c3cnn(C)c3)C2)cc1 634458533 XJHPTOVVRKQYBV-LJQANCHMSA-N 375.476 2.795 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H](Oc2ccncc2)C1 151164817 FGUVEBAYKNYYBO-ZDUSSCGKSA-N 388.367 2.822 0 40 GFAB CCCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72393036 GPGVWACESMYSLU-SFHVURJKSA-N 390.491 2.954 0 40 GFAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2cn(C)cn2)CC1 1615154300 GSXZWWWBLXYFOD-UHFFFAOYSA-N 384.509 2.506 0 40 GFAB COC(=O)[C@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1c1ccc(F)cc1 12157241 GKVUUMTVEQJIQD-MSOLQXFVSA-N 397.406 2.692 0 40 GFAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)c4cn(C)nc4C)C3)c(=O)c12 12184195 SFYMGEYAGFOJEV-AWEZNQCLSA-N 399.520 2.848 0 40 GFAB COC(=O)C1(NC(=O)c2cccc(I)c2)CCCCC1 12818517 CAVOKBWALWLKKT-UHFFFAOYSA-N 387.217 2.897 0 40 GFAB COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14000231 LGVLHXVJLPGFAD-OAHLLOKOSA-N 384.432 2.622 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 14313217 QPTYBOGJADMBHP-MRXNPFEDSA-N 390.505 2.810 0 40 GFAB O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)Nc2ccncc2)cc1 16740484 COGRUEARCLDUKV-UHFFFAOYSA-N 388.493 2.697 0 40 GFAB CC(C)C(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19085787 MPAHAONUKLYJCM-QHCPKHFHSA-N 395.503 2.633 0 40 GFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)C(C)C)CC2)on1 19122734 TWSOLXPTIMTXEI-UHFFFAOYSA-N 399.495 2.639 0 40 GFAB COc1cccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC 19567629 IKZWTARTLYTMFW-KRWDZBQOSA-N 392.459 2.839 0 40 GFAB Cc1cc(C)c2[nH]c(CCC(=O)N3CCN(Cc4ccccn4)CC3)nc2c1 19568387 DQAVFURDWNWNEU-UHFFFAOYSA-N 377.492 2.852 0 40 GFAB COc1ccccc1CN1CCC(c2cc(C(=O)N3CCC[C@H](O)C3)on2)CC1 19570132 UJJQHIJVQUDDLS-SFHVURJKSA-N 399.491 2.660 0 40 GFAB Cc1cc(C)n(CCC(=O)NCc2nnc(-c3nccc4ccccc34)o2)n1 19573954 YVFDZPYYIJPULY-UHFFFAOYSA-N 376.420 2.805 0 40 GFAB CN(C)CCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 19665508 ZQQUPBBCGHSQHG-INIZCTEOSA-N 377.916 2.883 0 40 GFAB Cn1nc2c(c1C(=O)Nc1cnn(CC(=O)Nc3ccc(F)cc3)c1)CCCC2 19746197 IWZVNTBKAIILBY-UHFFFAOYSA-N 396.426 2.526 0 40 GFAB COc1ccc(C(=O)N2CCC(c3cc4nc(C)cc(O)n4n3)CC2)cc1OC 100137402 CRBRUAQEYFAECI-UHFFFAOYSA-N 396.447 2.780 0 40 GFAB COc1ncc(C2(O)CCN(Cc3ccccc3C(F)(F)F)CC2)c(OC)n1 12186343 ZUTHQUPCNLUZNT-UHFFFAOYSA-N 397.397 2.996 0 40 GFAB Cc1cc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n2ncnc2n1 1889149331 AAKYABRLDRZXBR-TZMCWYRMSA-N 389.385 2.562 0 40 GFAB O=C(c1ccc2nccn2n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1889211487 VAYKOGIGGCIVBE-UHFFFAOYSA-N 375.354 2.711 0 40 GFAB COc1cccc(C(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)c1OC 1848601542 WJKKYHYNXYWNIJ-UHFFFAOYSA-N 390.871 2.888 0 40 GFAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 33188272 WRTMNDDYQCMOTI-UHFFFAOYSA-N 392.381 2.904 0 40 GFAB O=C1COc2ccccc2CCCC[C@H]2CN(CCCn3cccn3)CC[C@H]2N1 2037988894 MVHBNHSWUGRYRE-LEWJYISDSA-N 396.535 2.885 0 40 GFAB COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCCN(C(=O)OCc2ccccc2)C1 953033650 PTPWKUDWMZCJIX-FQEVSTJZSA-N 392.452 2.856 0 40 GFAB Cc1nc(SCc2cccc3ccccc23)c2c(=O)n(C)c(=O)n(C)c2n1 4138851 FGWPRNXPYOGYAZ-UHFFFAOYSA-N 378.457 2.781 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(C)c3)c2C(N)=O)C1 4274495 KHFUCJFGYFHMFU-UHFFFAOYSA-N 387.461 2.922 0 40 GFAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2cccc(F)c2)c1=O 17317020 QNMVQXDDAPFHPN-UHFFFAOYSA-N 383.427 2.694 0 40 GFAB CCOCCCNC(=O)CCc1nnc2ccc(-c3ccc(C)c(C)c3)nn12 33309599 BSHPHULCTJDKTL-UHFFFAOYSA-N 381.480 2.884 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)CCc2ccccc2)sc2cc(OC)ccc21 100877096 PLFNQZKUAZRZTG-MRCUWXFGSA-N 384.457 2.945 0 40 GFAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 11691550 HVXGRVBHDPZDLF-UHFFFAOYSA-N 399.428 2.702 0 40 GFAB CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 40158452 KBSRXZPDYPMUMG-UHFFFAOYSA-N 378.492 2.774 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 30845198 GDELJJXEZITSCC-UHFFFAOYSA-N 377.872 2.943 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)c1ccc2c(c1)OCCO2 36411614 ZRUMNMUVULUOEG-ACJLOTCBSA-N 393.443 2.870 0 40 GFAB COc1ccc(-n2c(COc3ccccc3C)nnc2SCC(N)=O)cc1 904796 JWMHPIRHLXPODN-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB Cc1nccn1S(=O)(=O)c1cc(Br)ccc1Br 1436721 AMQBLKRCPPQIOM-UHFFFAOYSA-N 380.061 2.954 0 40 GFAB O=C(Nc1ccc(C2=NCCCN2)cc1)Nc1ccc(C2=NCCCN2)cc1 1691651 IGKMCFMQCNDZFV-UHFFFAOYSA-N 376.464 2.810 0 40 GFAB COC(=O)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCCC2 2108445 JDLSIIZPYMLWOH-HMEQZMJYSA-N 389.473 2.861 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N(CCO)[C@]2(C)C[C@@H]1c1ccccc1O2 100843151 KVCMLNPUHGIRPP-PERKRYKHSA-N 380.444 2.667 0 40 GFAB CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)S[C@H](C)C2 4107949 IICMZKVAAQEXDL-CYBMUJFWSA-N 389.546 2.751 0 40 GFAB O=C(c1ccc(O)nn1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31910243 MOKDMJSWRQLFLM-UHFFFAOYSA-N 380.473 2.869 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1OC 51354069 CJMBVRZCNFTWHJ-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1nnc(-c2ccccc2)o1 6384028 ORUSTNVFKLFXDK-UHFFFAOYSA-N 376.372 2.942 0 40 GFAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2n[nH]c3c2CCC3)n1N 9013588 DLMKZGXKSIIVPH-UHFFFAOYSA-N 397.508 2.725 0 40 GFAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)s1 6680636 WVDUZQQKGVWRQF-UHFFFAOYSA-N 386.524 2.581 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)c(C)c1 56105190 HMUGXWRUONSXSW-UHFFFAOYSA-N 395.477 2.816 0 40 GFAB O=C(NCc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1-n1cnnn1 32703556 SEVZUHHQJJUONV-UHFFFAOYSA-N 379.754 2.847 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10337756 DDZUDKIFPSSKSC-UHFFFAOYSA-N 381.476 2.911 0 40 GFAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)COc1ccc2c(c1)CCC2 32809176 GCHPHIORKSPPKY-HXUWFJFHSA-N 396.512 2.772 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Cc1cccc(F)c1 21972530 UAMZVRBFVJRFGC-UHFFFAOYSA-N 378.469 2.512 0 40 GFAB CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br 681329 SFPWHIZIDYPRBB-WEVVVXLNSA-N 390.031 2.791 0 40 GFAB O=C(Cc1nc2ccc(Br)cc2c(=O)[nH]1)NCCc1ccccc1 53850758 BXMVQIIVLGKUNV-UHFFFAOYSA-N 386.249 2.587 0 40 GFAB O=C(CCNc1ncnc2[nH]cnc12)NCCc1c[nH]c2ccc(Cl)cc12 12296379 YUKUDQVCQWSURH-UHFFFAOYSA-N 383.843 2.649 0 40 GFAB biogenic COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 23704791 UUUKGDVVOLSZAV-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1F 106152830 CWHZEKZBOCHRHP-SOLBZPMBSA-N 378.488 2.867 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CCOc1ccc(F)cc1 24842351 XMIXVOBGYRPNLZ-HNNXBMFYSA-N 385.439 2.900 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2F)cc1 22227396 LVWWPFDYENIPPS-UHFFFAOYSA-N 382.432 2.624 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)cc1=O 57526363 NKUIBYIKVDFOJZ-UHFFFAOYSA-N 377.400 2.644 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(OC)c1 3240855 MQFNKTRAXRNOMJ-UHFFFAOYSA-N 385.449 2.800 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@@H](C)CC(C)C[C@H]3C)=C2)cc1 20366848 HCQGFGHYLYPSCV-MQVJKMGUSA-N 389.521 2.894 0 40 GFAB CCCCn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233468 OTZAHUNQQFHRBP-HNNXBMFYSA-N 379.464 2.867 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 3333105 ZWGLLVNPIXCBGU-JXFKEZNVSA-N 382.460 2.862 0 40 GFAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 12858299 ZENRLPWAJRMBTH-UHFFFAOYSA-N 393.515 2.757 0 40 GFAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 3498794 UTMZAPCRCGZLBA-GFCCVEGCSA-N 383.433 2.819 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)c1 12920730 MEFSBNVVQRARQE-SFHVURJKSA-N 379.420 2.657 0 40 GFAB Cc1ccc(NC(=O)CN2CCCC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 13038821 OLVSCJUXIQJJDZ-QGZVFWFLSA-N 393.553 2.983 0 40 GFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cc2ccc3c(c2)OCCO3)c1 49123831 ZCEDLPKWWMQFTF-HNNXBMFYSA-N 382.460 2.845 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CC2(C(=O)O)CCCCC2)c1C 13468546 RIBMZCYTQKNOGN-UHFFFAOYSA-N 396.509 2.917 0 40 GFAB CCOC(=O)N1CCC(N2Cc3cc(Br)ccc3OCC2=O)CC1 65184449 HRDLKDKGCQZGOH-UHFFFAOYSA-N 397.269 2.791 0 40 GFAB CCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 409121085 XXNGQKNHBPPUTK-UHFFFAOYSA-N 394.468 2.564 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)CN3C(=O)c4ccccc4C3=O)c[nH]c12 6354280 LSIIPXVQCGZBFX-UHFFFAOYSA-N 390.395 2.752 0 40 GFAB CCn1c(C)cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1C 14022709 HCSZDUPKYMAYPC-LJQANCHMSA-N 392.459 2.952 0 40 GFAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14265808 YENOWFGMPUGHAE-JTQLQIEISA-N 388.424 2.694 0 40 GFAB COCCCNS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 4777205 NKBPKMZWEYRPCF-UHFFFAOYSA-N 376.478 2.573 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 5654133 HMDKGEYTNKXFAE-CYBMUJFWSA-N 390.395 2.887 0 40 GFAB CC(C)CNC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 5702568 UHJWRQYMJOTBPH-UHFFFAOYSA-N 385.555 2.511 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)cc1 4999518 COFNYQAQWICOLR-LLVKDONJSA-N 387.461 2.555 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1ccc2c(c1)OCCO2 7717531 UTQDYEGBVNZLMD-UXBLZVDNSA-N 398.434 2.775 0 40 GFAB Cc1sc2ncn(CC(=O)NCCCOCc3ccccc3)c(=O)c2c1C 8941995 ZSEVJRVOBCPKJF-UHFFFAOYSA-N 385.489 2.798 0 40 GFAB CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 16596763 JCIMBRHROONOQG-CQSZACIVSA-N 381.432 2.515 0 40 GFAB Cc1ccc(-n2c(CCC(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)cc1 8328441 SWEAVDSUTWTTRP-SFHVURJKSA-N 391.471 2.922 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC2)c1 9549447 XTCGFEGTSQSLFL-UHFFFAOYSA-N 380.853 2.995 0 40 GFAB O=C(NCc1ccccc1)c1cc(NC2CCN(c3ncccn3)CC2)ccn1 95958636 FFICTZKKOCEVNB-UHFFFAOYSA-N 388.475 2.883 0 40 GFAB COc1ccc2[nH]cc(C3=CCN(CCn4nc5ccccn5c4=O)CC3)c2c1 89467045 OMXOSMBCJDGBKV-UHFFFAOYSA-N 389.459 2.775 0 40 GFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1noc2ccccc12 25188574 OASTZAHVPZUTIF-UHFFFAOYSA-N 395.415 2.632 0 40 GFAB Cn1c(C(=O)O[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc2occc21 35315791 BQCNDGHRADOJGQ-BEFAXECRSA-N 382.416 2.965 0 40 GFAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccccn2)ccc1OCC 408586345 NPFCWQMHJUASIP-UHFFFAOYSA-N 379.438 2.527 0 40 GFAB O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)Nc1ccc2c(c1)CCCC2=O 515997189 GDLIABJMZLBBIQ-DEQXWPBXSA-N 378.472 2.836 0 40 GFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Cl)cc1Cl 408655029 KSVXGXKXNQXGLT-GKAQULHVSA-N 384.215 2.673 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1-n1cnnn1 79490999 NWUJSQGDGNHADP-UHFFFAOYSA-N 387.465 2.769 0 40 GFAB Cn1nnc(-c2ccc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)cc2)n1 36752525 JIFLMBCZSWGJGQ-UHFFFAOYSA-N 399.838 2.622 0 40 GFAB CN(C)C1(CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)CCCCC1 32772360 PBMDEONGWGKZNI-UHFFFAOYSA-N 377.554 2.981 0 40 GFAB Cc1noc(C2CN(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)C2)n1 559533699 CTYVYUBNXCHCAO-CQSZACIVSA-N 375.860 2.809 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1=O 79116818 MMEINVHHTWAVNS-KBPBESRZSA-N 378.432 2.802 0 40 GFAB CC(C)CCn1c(=O)c2sccc2n2c(=O)n(CCOc3ccccc3)nc12 64946126 SNLPGTQZTMACSI-UHFFFAOYSA-N 398.488 2.998 0 40 GFAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)CC 222394963 OJYRKBGOJMRNGP-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 257268382 MLLDXEVFQKJFBS-HYILBPMCSA-N 386.492 2.677 0 40 GFAB O=C(c1cnccn1)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 257222588 DTXOCNCNRKMOME-UHFFFAOYSA-N 389.463 2.890 0 40 GFAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(c2nnc(N)o2)CC1 636130971 SUBBIMSHZJIANZ-SNVBAGLBSA-N 384.358 2.844 0 40 GFAB CC(=O)N1CC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)NCC3)c2ccccc21 677487674 BMLQOXYDXILCQR-GOSISDBHSA-N 378.432 2.592 0 40 GFAB O=S(=O)(CCOc1ccccc1)NCC1CCN(Cc2ccsc2)CC1 96025842 DXZDZQDSRXWJOP-UHFFFAOYSA-N 394.562 2.959 0 40 GFAB CCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 575421483 QTTKCYGTEZACBS-GOSISDBHSA-N 391.514 2.751 0 40 GFAB Cc1cccc(S(=O)(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)c1 585103622 BZNTXIMJGZCQFJ-MRXNPFEDSA-N 376.503 2.718 0 40 GFAB O=c1c2ccccc2n(Cc2nc(-c3ccc(F)c(F)c3)no2)c(=O)n1C1CC1 826601668 KLUHPWXTYVHTLZ-UHFFFAOYSA-N 396.353 2.875 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 828598366 AHKAIONNMWRUOE-CYBMUJFWSA-N 397.547 2.839 0 40 GFAB Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 69175619 RDPBREDRJZAXCJ-GOSISDBHSA-N 379.460 2.514 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102822525 PXASUTKJCIXQEK-IAGOWNOFSA-N 392.883 2.743 0 40 GFAB O=C(Nc1cccc(Cl)c1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188706 JOPZOTIRSNBSGV-CYBMUJFWSA-N 379.869 2.637 0 40 GFAB CC(=O)NCc1ccc(CNC(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1 1674316342 HQQDVKVIVKXMSO-UHFFFAOYSA-N 389.459 2.734 0 40 GFAB Cn1ncc2c1CCc1sc(N(C[C@@H]3CCCO3)C(=O)c3cccnc3)nc1-2 12146104 CPZJWOUNXSMVIP-AWEZNQCLSA-N 395.488 2.863 0 40 GFAB O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12544803 HSFIWTZAXNMSIO-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19121072 WYEHTNFGIMTJRW-MRXNPFEDSA-N 388.449 2.908 0 40 GFAB c1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCC3)CC2)cc1 19369664 ULLKZKQJXJRTMU-OAQYLSRUSA-N 392.507 2.964 0 40 GFAB CC1CCN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)CC1 19496909 IIEAXCZYWNEXKA-UHFFFAOYSA-N 382.508 2.986 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC)C1 19498950 BZNKAARCKGIIKJ-HSZRJFAPSA-N 380.488 2.958 0 40 GFAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc4nc[nH]c(=O)c4c3)n2)c1 19659698 GYMABWXYDQLDBT-UHFFFAOYSA-N 375.388 2.853 0 40 GFAB COc1ccc(Cc2ccc([C@H]3CN(Cc4cnn(C)c4)CCO3)nc2)cc1 19692394 BCNWTKZTECPSEA-JOCHJYFZSA-N 378.476 2.988 0 40 GFAB O=C(c1sc2ncccc2c1[C@H]1CCN(c2ncccn2)C1)N1CCOCC1 19701978 WWEBOVADOGTZBD-AWEZNQCLSA-N 395.488 2.553 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(CN(C)C)n(C)n2)cc1C 19709597 GRXWMIJKTBCLRD-IBGZPJMESA-N 376.526 2.624 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c(OC)c1 6326911 AWQHMONGEVROOF-VIZOYTHASA-N 379.434 2.939 0 40 GFAB O=C(Cc1c(F)cccc1Cl)NCC1(N2CCSCC2)CCOCC1 1888849936 OEJQIYDRHBYRPV-UHFFFAOYSA-N 386.920 2.736 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)c4ncccc4F)C[C@H]3C2)nc2ccccc21 1888913888 JOAFOJRNTQFIFY-GASCZTMLSA-N 379.439 2.799 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 1888979413 DSGHFHYMYJZQNG-HDICACEKSA-N 394.500 2.528 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CCC3)cc1 8869334 AGIADZBLVQXLTJ-OAHLLOKOSA-N 391.518 2.732 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(F)c(F)c4)cnc32)cc1C 10252053 CQZZJRFTMOXWFB-UHFFFAOYSA-N 395.369 2.861 0 40 GFAB COc1ccc(Cl)cc1C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251193 QXJSYTXZDDSFMF-UHFFFAOYSA-N 395.806 2.628 0 40 GFAB O=C(NCC(F)(F)F)C1(n2cccn2)CCN(CCc2ccccc2)CC1 2055772916 VMRKZGVKTHQKOG-UHFFFAOYSA-N 380.414 2.595 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@](O)(c2cccs2)C2CC2)cc1F 77099526 VRHBJHXBPUYPRY-QGZVFWFLSA-N 385.482 2.862 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 36585017 PBEOQKTUWUYVGP-UVARLRKDSA-N 381.407 2.714 0 40 GFAB biogenic Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 100033070 DEABHCWMQZVLQR-MOPGFXCFSA-N 391.431 2.544 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1 30146529 AIUUEEZKTFVEHK-UHFFFAOYSA-N 391.855 2.728 0 40 GFAB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccc(N3CCCN(C)CC3)nc1)C2 40152045 WFXINNMGJLLQPM-HXUWFJFHSA-N 396.560 2.865 0 40 GFAB COc1ccc(-n2c(=S)[nH]c(O)c([C@H]3NCCc4ccccc43)c2=O)cc1 20171184 PQSFMUKMNJXSHQ-KRWDZBQOSA-N 381.457 2.844 0 40 GFAB CCc1ccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 2406543 NGALZHVYTLPWRS-NVXWUHKLSA-N 391.489 2.825 0 40 GFAB CCCc1n[nH]c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)n1 36740913 CZHHYQPYRSLXBO-CYBMUJFWSA-N 375.498 2.610 0 40 GFAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCCCC1 31720738 OKXKXDUQYPFIJE-IBGZPJMESA-N 386.473 2.655 0 40 GFAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3593586 FTXJFORKFWQZKM-FQEVSTJZSA-N 399.834 2.948 0 40 GFAB COc1ccc(CCNc2nc(N3CCCC3)c3cnn(C)c3n2)cc1OC 32088417 MXDICFBZUZRJKG-UHFFFAOYSA-N 382.468 2.635 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885495 NKVDDHHSNMJOSL-KEXUJGGDSA-N 392.455 2.767 0 40 GFAB COc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 4888725 QDUJKCHGZDGURF-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 4888729 NDLCZWFUOFHXKS-UHFFFAOYSA-N 376.453 2.717 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 6276212 RLNQYOYJOZWPPR-UHFFFAOYSA-N 386.502 2.955 0 40 GFAB COc1ccc(OC)c(C(=O)CSc2nc3ccccc3c3nnnn23)c1 58167194 MJFXQKCPMRRCFB-UHFFFAOYSA-N 381.417 2.665 0 40 GFAB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2N2CCCN12 100934053 ZSNNWEDGCLUMBI-UFYCRDLUSA-N 377.444 2.539 0 40 GFAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)NCc3ccccc3)cc2c1 8579234 QVPPFYCAVKBVQL-UHFFFAOYSA-N 379.460 2.795 0 40 GFAB NS(=O)(=O)c1ccc(OCCSc2ccc(C(F)(F)F)cn2)cc1 21482569 PYGAQQDSLQHWEQ-UHFFFAOYSA-N 378.397 2.919 0 40 GFAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(N2CCOCC2)nc1 21590755 OPFFEBWJMDSQCP-UHFFFAOYSA-N 384.432 2.877 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(F)c(F)cc1Cl 32883015 VJNQZNKJNWMYNX-UHFFFAOYSA-N 385.798 2.603 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1C 101274297 QGUNJTDIWRNOOD-FQEVSTJZSA-N 381.451 2.897 0 40 GFAB CS(=O)(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 2686370 BFDPFFSNOQGXFM-INIZCTEOSA-N 395.278 2.752 0 40 GFAB CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)[C@@H]1CCS(=O)(=O)C1 58393582 GBVWDKHVRVECPM-CYBMUJFWSA-N 377.487 2.957 0 40 GFAB CCOc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1OCC 102939389 BBOMZBLISDMYHT-HOTGVXAUSA-N 388.464 2.988 0 40 GFAB O=C1CN(C(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)CCN1 89779593 YXTJTFAMFSOZTI-UHFFFAOYSA-N 392.242 2.557 0 40 GFAB COc1cc(Br)c(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 103354918 BICLGWYTMONDSI-TXEJJXNPSA-N 380.238 2.918 0 40 GFAB COc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c(OC)c1 22930903 OAAMFUGEEDICOY-UHFFFAOYSA-N 383.492 2.850 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104673166 KWLAVIHUHLYEEO-QBYUYEEZSA-N 383.448 2.549 0 40 GFAB FC(F)(F)c1ccc(N2CCCN(c3nnnn3-c3ccccc3)CC2)nc1 23873162 PCBDKZQVQFAJHH-UHFFFAOYSA-N 389.385 2.793 0 40 GFAB COc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)c1OC 23863549 WCTPWNRNMSAEAW-UHFFFAOYSA-N 393.461 2.686 0 40 GFAB COCCN(Cc1cccs1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC 24366628 DVLSFZLLIWVIKF-UHFFFAOYSA-N 398.506 2.552 0 40 GFAB CCc1ncc2c(n1)CN(CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)CC2 106377864 RFEGQAHHQRNPDT-HNNXBMFYSA-N 398.507 2.600 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCCCC2)c1 22230040 UWNVTJPMNHTRAD-KRWDZBQOSA-N 380.510 2.559 0 40 GFAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 12538635 UMWHNSXRZZYCEV-LLVKDONJSA-N 387.871 2.666 0 40 GFAB Cc1cc(=O)n(CC(=O)NC2CCCCC2)c(N2CCc3ccccc3C2)n1 57506409 GOVYWQOTLJFAHK-UHFFFAOYSA-N 380.492 2.563 0 40 GFAB COc1cc(C(=O)OCC(=O)NCCC2=CCCCC2)cc(OC)c1OC 3249164 CILXQQILPNFHRY-UHFFFAOYSA-N 377.437 2.876 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cncc(Br)c2)c(OC)c1 3263606 UGZMCWNFFVHAOO-UHFFFAOYSA-N 395.209 2.657 0 40 GFAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2091676 LGGQZCNWICHIPE-PXAZEXFGSA-N 375.421 2.657 0 40 GFAB biogenic COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2nnc(C(F)F)s2)CC1=O 60058690 LHXTZBPEEXHKOT-VIFPVBQESA-N 382.392 2.784 0 40 GFAB C[C@H](C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)S(C)(=O)=O 58222773 XAGNZCKJAAOCAX-SECBINFHSA-N 379.388 2.880 0 40 GFAB CCOC(=O)CC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)OCC 12874673 AZSVYWIZFPLDDO-OAHLLOKOSA-N 399.871 2.889 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)cc(C)c1C 12992841 DTIHMANQXRSJRF-RMKNXTFCSA-N 388.445 2.562 0 40 GFAB COc1ccc([C@H]2O[C@H](C)CN(C(=O)c3ccc4c(c3)OCO4)O2)cc1OC 3618949 PWBBMFJXABAUDW-ODXCJYRJSA-N 387.388 2.924 0 40 GFAB CCOc1cc(Br)c(/C=C2\NC(=S)N(C)C2=O)cc1OCC 17167157 KWTAMZYNEOZVTL-WDZFZDKYSA-N 385.283 2.934 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(=O)c2ccccc2o1 8327555 SFWFDPODLATFHS-UHFFFAOYSA-N 383.356 2.849 0 40 GFAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4112476 XKSAJNGWGQWNCX-LDDOYCOJSA-N 392.249 2.689 0 40 GFAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1Cc1ccco1 39383813 LWRIEPIPUVQLBK-UHFFFAOYSA-N 387.443 2.759 0 40 GFAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562109 XWEMPBGHULIKEE-OLZOCXBDSA-N 388.917 2.664 0 40 GFAB Cc1ccccc1COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5435775 ANMHTTCARMVMFJ-UHFFFAOYSA-N 398.484 2.899 0 40 GFAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 6549844 RGFLUABKUMILGF-UHFFFAOYSA-N 387.823 2.848 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20462351 FQCOCQOYNZLEMT-INIZCTEOSA-N 390.505 2.955 0 40 GFAB COCCNC(=O)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 6618207 OXFCYCDMVOQDFT-UHFFFAOYSA-N 384.461 2.590 0 40 GFAB CCN(Cc1nonc1C)C(=O)[C@@H](C)Cn1nc(C)c(Br)c1C 28233041 MIASGDFJDUAJKO-VIFPVBQESA-N 384.278 2.639 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)N2CCC(c3ccccc3)=N2)cc1 6933328 CEDPNMNTTOSHCK-UHFFFAOYSA-N 378.461 2.699 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(N2CCCC2=O)cc1 18093779 DCKJPMFXAIALES-UHFFFAOYSA-N 395.459 2.923 0 40 GFAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1 7109272 BTKIUPBXPKDZBL-UHFFFAOYSA-N 381.448 2.908 0 40 GFAB C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@@H](c2ccccc2)O1 67556289 CPZUIOYDIPUXGH-LPHOPBHVSA-N 390.443 2.799 0 40 GFAB O=C(Nc1ccccc1N1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 7238798 FXLHQHPROGBJLC-UHFFFAOYSA-N 378.432 2.645 0 40 GFAB CC(C)NC(=O)CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 7245530 DGZSXSXINNXCTF-UHFFFAOYSA-N 391.830 2.986 0 40 GFAB O=C(COC(=O)CN1CCSC1=O)NC(c1ccccc1)c1ccccc1 7880829 LMXNKFYQKNSKPC-UHFFFAOYSA-N 384.457 2.604 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F 71286942 JOFBCYNTVHAKIR-UHFFFAOYSA-N 390.846 2.949 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 9236422 DCZGLJTXPWMBEH-ZWKOTPCHSA-N 395.488 2.671 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCCOc2ccccc2C)cc1 9793884 VNTDRHUVOKDZDV-SDNWHVSQSA-N 389.473 2.816 0 40 GFAB C[C@@H](CO)NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 97296734 POUMNBFJHCHDAF-LBPRGKRZSA-N 391.265 2.741 0 40 GFAB CC(C)[C@@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)c1nnc2n1CCC2 95393997 MTWBAOPCVUIWKE-GOSISDBHSA-N 381.480 2.555 0 40 GFAB CCCOc1c(CN2CCC[C@H](CNS(C)(=O)=O)C2)cccc1OCC 95430502 BQJGPRDTDXKQOT-MRXNPFEDSA-N 384.542 2.635 0 40 GFAB COCCN(C)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)nc1 95983304 DGUQRLRGNUUNRJ-UHFFFAOYSA-N 395.463 2.919 0 40 GFAB CC(C)(C)OC(=O)N1CCN[C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 306145994 YKJPAXIHYKTYKE-HXUWFJFHSA-N 375.469 2.608 0 40 GFAB O=C(c1cccnc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 72346672 OZPWGCLRWOBCMA-QGZVFWFLSA-N 395.434 2.695 0 40 GFAB Cc1cccc(C)c1OCCSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C 32777837 FFZBQYXZWATWID-CQSZACIVSA-N 381.523 2.505 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)ccc1F 70636458 QTFNSESXBFVRMZ-HNNXBMFYSA-N 377.359 2.863 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636466 JYZHPMMISDMPNP-HNNXBMFYSA-N 393.358 2.563 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc(-n2ccnc2)cc1 38754132 IPHFMKDQOYEEEJ-UHFFFAOYSA-N 388.427 2.565 0 40 GFAB NCC1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218472540 CFXYNICRUQHKIL-HOTGVXAUSA-N 385.316 2.837 0 40 GFAB COc1ccc2ccccc2c1CCC(=O)NCCCc1cnc2ncnn2c1 225643496 ANSOIYOLCVKNPD-UHFFFAOYSA-N 389.459 2.968 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(CC(=O)Nc2ccccc2)CC1 566810714 QXVWUZMSOYFFFI-UHFFFAOYSA-N 393.447 2.708 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 43192583 FHIMTAHVORQJBH-UHFFFAOYSA-N 389.355 2.554 0 40 GFAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)C(C)(C)C)CC2)cs1 225467410 XZLRXPQSOLBVLY-OAHLLOKOSA-N 395.569 2.610 0 40 GFAB biogenic,in-vitro Cn1nc(CNC(=O)CSc2nc3ccccc3s2)c2ccccc2c1=O 77099373 NLYOAAOVSNUMRG-UHFFFAOYSA-N 396.497 2.952 0 40 GFAB O=C(Cc1ccccc1Cl)NCCN1Cc2cc(F)ccc2OCC1=O 225771319 ZZMAYHAXANRAEC-UHFFFAOYSA-N 376.815 2.559 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)N2CCC3(CCOCC3)C2)cc1C(F)(F)F 580322367 KGCBPGAXLAXZCJ-UHFFFAOYSA-N 393.383 2.595 0 40 GFAB Cn1c(CNc2ccccc2S(=O)(=O)C(F)(F)F)nc2ccccc2c1=O 95467617 KXYZFQOGSUMQMK-UHFFFAOYSA-N 397.378 2.839 0 40 GFAB CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccc(OC)cc1)c1ccccc1O2 96111707 PSLMFOOIBJGWRT-HKUYNNGSSA-N 395.459 2.793 0 40 GFAB biogenic,in-vitro CCN1CCN(CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257202554 AMHRPHSFWLZTJC-IBGZPJMESA-N 397.494 2.691 0 40 GFAB CCn1ccc(NC(=O)[C@]2(C)CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)n1 257229909 FZYUQDJONZZMRY-OAQYLSRUSA-N 394.479 2.740 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc3ccccc3c2)Oc2ccccc21 260836507 QDASFHVXRBGUQS-HXUWFJFHSA-N 396.468 2.683 0 40 GFAB COCCOc1ccc(CNC(=O)N2C[C@H](C)OC3(CCCCC3)C2)cn1 654378027 FJIHXRONMAOPAF-INIZCTEOSA-N 377.485 2.740 0 40 GFAB COc1cccc2c1OC[C@H](NC(=O)NC[C@@H]1C[C@H](c3ccccc3)CO1)C2 663970264 BJUTUPJIMCYKFG-OTWHNJEPSA-N 382.460 2.871 0 40 GFAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(OC3CC3)c1F)CC2 664186897 SMDLYRMQGBMKDT-AWEZNQCLSA-N 387.459 2.896 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CCOCC1)c1c(F)cccc1F 575613837 WHIBXDYGMHECTG-IBGZPJMESA-N 397.443 2.558 0 40 GFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c1 585091886 AQAJCNWOCDZLAH-SFHVURJKSA-N 392.452 2.855 0 40 GFAB O=C(C1CC(O)C1)N1CCC[C@@]2(CCCN2c2ncnc3ccccc23)CC1 585099972 BRLWGHNJYPGFAR-CNXQINBVSA-N 380.492 2.752 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(N4CCCC4)nc3)CC2)c(C)o1 48079674 WVKQRNBWCWVVBI-UHFFFAOYSA-N 397.479 2.882 0 40 GFAB CCCn1c(=O)n(CCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c2ccccc21 54663117 DBZLJDSDNVRVMK-MRXNPFEDSA-N 397.479 2.701 0 40 GFAB COC(=O)C[C@@H](CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1 5515513 RXURWQNLJWCOMM-LPHOPBHVSA-N 398.459 2.764 0 40 GFAB Cc1cc(C)c(-c2cc([C@@H](O)[C@@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@H]3O)on2)c(C)c1 5665576 DMYYEBJEPXKXRC-SPOLIRPYSA-N 375.421 2.538 0 40 GFAB CCCn1nnnc1COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 11309647 KDSUSJDAFFTQLR-UHFFFAOYSA-N 395.448 2.749 0 40 GFAB Cc1nn(CC(=O)NC[C@@H](C)c2ccccc2)c(=O)c2cc3sccc3n12 12115275 WOPVAKPAUWBWQR-CYBMUJFWSA-N 380.473 2.939 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCc1ccccn1 12527556 VKCQIPAOQMTIBL-UHFFFAOYSA-N 395.484 2.799 0 40 GFAB COc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1O 13127437 XCGXKGFYNQCIBP-UHFFFAOYSA-N 380.448 2.755 0 40 GFAB Cc1cc(-c2cnc(N3CCC(NC(=O)[C@@H]4CCCO4)CC3)nc2C2CC2)on1 19121711 YLXRKICTMDVRHS-KRWDZBQOSA-N 397.479 2.581 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)Cc2cccc(F)c2)CC1 19289021 SABWSKQYQBTQGV-UHFFFAOYSA-N 393.466 2.508 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2csc(C)n2)CC1 19566977 KUVRIRRRZQNBTG-UHFFFAOYSA-N 395.550 2.583 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n1 19572728 WKWUZCRYGOZGCC-KRWDZBQOSA-N 396.539 2.635 0 40 GFAB O=C1CN(C(=O)CN2CCC[C@@H](COc3ccccc3F)C2)c2ccccc2N1 19658129 PKNCOALSEYIMNW-MRXNPFEDSA-N 397.450 2.902 0 40 GFAB CN1CC[C@@H]2[C@H]1CCCCN2C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 19712583 NAJGVEVQOUAZEO-WOJBJXKFSA-N 387.499 2.763 0 40 GFAB CC(C)(O)C(C)(C)OB(O)c1ccc(NC(=O)OCc2ccccc2)cc1F 200328249 BNXULHFLQSLGPO-UHFFFAOYSA-N 389.232 2.828 0 40 GFAB O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CC[C@H](C(=O)Nc2ccc(O)cc2)CC1 101652870 UJLTYLJWUKHAMT-GASCZTMLSA-N 393.443 2.841 0 40 GFAB CC(C)c1nccn1CCC(=O)N1[C@H]2CC[C@H]1[C@@]1(C2)NC(=O)c2ccccc2N1 248155672 DHWLMXYWDWZFHV-LZFQIVBZSA-N 393.491 2.712 0 40 GFAB CC(=O)NCc1ccc(-c2csc(NC(=O)COc3cc(C)on3)n2)s1 9156130 UBTZSBRWTXHQEZ-UHFFFAOYSA-N 392.462 2.822 0 40 GFAB COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)cc1F 1888890120 TURWCCIGVRPZGG-HOTGVXAUSA-N 396.466 2.630 0 40 GFAB O=C(c1cnc2ccccc2n1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888910336 CFRFKHMBWMJEKY-CQSZACIVSA-N 375.432 2.838 0 40 GFAB COCc1nsc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n1 1889091526 OFWMITIBOYRNHJ-PWSUYJOCSA-N 385.415 2.813 0 40 GFAB CCOc1ccc2nc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)sc2c1 1889179223 IWPURHCZSQZODY-LBPRGKRZSA-N 381.523 2.746 0 40 GFAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cc3ccccc3n1C)CC2 1565553409 XXATUGIBDYQJNF-UHFFFAOYSA-N 382.489 2.578 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnnn2[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 1049587 ZXNNAMQLLOBIED-NJZAAPMLSA-N 387.465 2.552 0 40 GFAB COc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)c(OC)c1 4326019 QDBOPBCHRBHNFQ-UHFFFAOYSA-N 398.390 2.886 0 40 GFAB COc1cccc(N2C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)c1 4497732 HHARFHICPUVWOZ-KRWDZBQOSA-N 396.468 2.932 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1C 22767156 KMGSJWOVPPCVKN-IBGZPJMESA-N 393.578 2.632 0 40 GFAB COc1ccc(CC(=O)N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)cc1 1775974490 TVOTULHOANCPHC-UHFFFAOYSA-N 393.418 2.684 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 23127479 CJOYWQFJGUUSBF-UHFFFAOYSA-N 387.505 2.968 0 40 GFAB CCOC(=O)[C@@H](C)Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165189 BGHZDGSCDTUATC-LLVKDONJSA-N 388.449 2.852 0 40 GFAB CCOC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21 4359041 HFLMFVHCOROYHA-UHFFFAOYSA-N 382.347 2.601 0 40 GFAB Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)c1 35876479 UEOPCXPDEJNEPA-OAQYLSRUSA-N 377.488 2.887 0 40 GFAB CCOC(=O)N1CCC(NC[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 40160713 QGEQJILVMRCHHU-ICSRJNTNSA-N 376.497 2.652 0 40 GFAB COC(=O)C1(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CCCCC1 58821049 SAQCCKRMPSCILX-OAHLLOKOSA-N 394.415 2.584 0 40 GFAB CC(C)[C@@H](NC(N)=O)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 28689571 IQEWNIQBXONQPI-SNVBAGLBSA-N 398.838 2.655 0 40 GFAB Cc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NCc2ccc(F)cc2)n1 36615070 BHYRXFAKIOFXAZ-UHFFFAOYSA-N 383.305 2.711 0 40 GFAB CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 1351035 FEYIQDUSEQEAQQ-UHFFFAOYSA-N 383.408 2.638 0 40 GFAB Cc1ccc(C2=NC(=O)[C@@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N2)cc1 2503708 JFBFJUPDWVDEFO-QGZVFWFLSA-N 379.313 2.699 0 40 GFAB COC(=O)c1ccc(OCc2noc(C(=O)N3CCc4ccccc4C3)n2)cc1 32070572 MESNWFCMTFNONX-UHFFFAOYSA-N 393.399 2.634 0 40 GFAB Cc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1C 4848201 JUBBMNPOPQEQEU-UHFFFAOYSA-N 396.491 2.975 0 40 GFAB C[C@@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 4907520 OMFCOUGPUWOOPU-MRXNPFEDSA-N 394.479 2.624 0 40 GFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 6623235 ODLRBQGUFWNUJT-UHFFFAOYSA-N 379.381 2.910 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 6706825 OBWKJWYWUIHMPM-CQSZACIVSA-N 392.477 2.790 0 40 GFAB CCc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6710687 WKKKJHPWLVTLKN-CYBMUJFWSA-N 392.477 2.572 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OCC)cc2)cc1 6880473 WXCMJPVQIUPIIK-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB CCc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 104195488 FMWYZWRRCNHKLR-ZNFSNMQZSA-N 377.437 2.584 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 32738137 PIDJDEWJBLPQKR-MRXNPFEDSA-N 379.416 2.793 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 8433844 XBQRGWGZEQPKKF-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccsc1C(=O)O)O[C@H](C)C2 32885528 GFOALSJKLMJBRH-SNVBAGLBSA-N 397.474 2.647 0 40 GFAB C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(c1ccc(F)cc1)S(C)(=O)=O 10449892 WJVJWLWREKMMBY-KGLIPLIRSA-N 376.453 2.958 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 100421807 OMVZTPFBLLHGGN-AYMMHLMVSA-N 396.418 2.516 0 40 GFAB CC1=C(c2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(C(=O)O)cc2)C1=O 32920054 NEVKFKNDMCZCIC-UHFFFAOYSA-N 375.377 2.627 0 40 GFAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769374 PYHSRJYAIYRYTI-ZDUSSCGKSA-N 398.438 2.888 0 40 GFAB COC(=O)[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1Br 677189 LVUICMAWLVPJIY-LLVKDONJSA-N 376.634 2.645 0 40 GFAB Cc1csc(SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 22239313 ZLDAZUBOPLHNKY-INIZCTEOSA-N 377.535 2.561 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1 22276585 VRQLKGALTHGTDX-UHFFFAOYSA-N 381.476 2.856 0 40 GFAB CCOC(=O)Cn1nc(C)c2c(C(=O)OC)cc(-c3ccc(OC)cc3)nc21 12396738 UHFPTVSUPQKHBL-UHFFFAOYSA-N 383.404 2.765 0 40 GFAB CSCc1nnc(SCC(=O)NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)o1 104239747 CYVRJBCSGCTHLB-BJDJZHNGSA-N 384.527 2.675 0 40 GFAB O=C(CS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(F)c1 47644526 WOMXQWHUPATJMV-UHFFFAOYSA-N 383.372 2.539 0 40 GFAB CCc1nn2c(O)cc([C@H]3CC(=O)N(C)C3)nc2c1-c1ccc(OC)c(OC)c1 100775942 OFWBFJVAKJNGLS-ZDUSSCGKSA-N 396.447 2.627 0 40 GFAB COc1cc(OC)c(CNC[C@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 23718671 NUZWGVWCNQMDHK-IBGZPJMESA-N 386.492 2.703 0 40 GFAB CCOC(=O)c1sc(-c2cccc(NC(=O)CN3CCOCC3)c2)nc1C 23818063 MAXGTVZCRVDQTQ-UHFFFAOYSA-N 389.477 2.566 0 40 GFAB CCOc1cc(/C=c2/s/c(=C\C(=O)c3ccccc3C)[nH]c2=O)ccc1OC 105630926 DMSHQFFUBOCLHS-STLXZYOISA-N 395.480 2.644 0 40 GFAB O=C1N=C(O)[C@@]2(Cc3cccc(F)c3N3CCOC[C@H]32)C(=O)N1c1ccccc1 25185154 TVBCTALBKNVSJY-KKSFZXQISA-N 395.390 2.697 0 40 GFAB Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 12648626 CLOZFCAKMDDEPD-UHFFFAOYSA-N 385.489 2.915 0 40 GFAB CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)c1 12604629 PTFVKVRKKXOAAC-UHFFFAOYSA-N 395.433 2.992 0 40 GFAB Cc1cc(CN(C)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)no1 57892876 KEJKDZNMEZKHLS-UHFFFAOYSA-N 392.419 2.505 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(C(C)(C)C)no1 27129595 FUUNEUYOMINNMA-UHFFFAOYSA-N 388.468 2.880 0 40 GFAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc(Cl)c1 44782799 CSRWTPPIBSAGQF-GOSISDBHSA-N 380.897 2.692 0 40 GFAB O=C(CCc1nc(-c2ccsc2)no1)N1CCN(c2nccs2)CC1 10270368 JKURLOOFUAYVHM-UHFFFAOYSA-N 375.479 2.536 0 40 GFAB CCC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2157845 BTCASKWFHPAYAI-WFASDCNBSA-N 387.432 2.727 0 40 GFAB biogenic O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Br)cc1F 3340899 OQAFGKCHZSJVNZ-UHFFFAOYSA-N 398.232 2.781 0 40 GFAB Cn1c(=O)c2sccc2n2c(CN3CCCc4cc(F)c(F)cc43)nnc12 48367799 IVXPIVJCRRATGH-UHFFFAOYSA-N 387.415 2.874 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCC4)o3)C2=O)cc1 409014192 GLSRUOMQGREHLT-SFQUDFHCSA-N 394.431 2.720 0 40 GFAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cnn(-c4ccccn4)c3C)cc2)n1 68225070 VRYQSLDORKRBSZ-UHFFFAOYSA-N 386.415 2.887 0 40 GFAB CCOc1cc(C(=O)CCC(=O)OCC(=O)N2CCc3ccccc32)ccc1O 3414270 BVOWAOCJMVWGIK-UHFFFAOYSA-N 397.427 2.886 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)NCCCn2ccc3ccccc32)s1 48438554 BBBSMXNVTOVDPR-UHFFFAOYSA-N 391.518 2.708 0 40 GFAB CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 12955216 JZHKRWHXOWWODT-CABCVRRESA-N 381.494 2.735 0 40 GFAB Cc1ccc(-c2noc(COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 12914115 JUHNEZPDRZNQRL-OAHLLOKOSA-N 381.388 2.730 0 40 GFAB O=C(OCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7950353 SJCSLFBZQZBHMU-UHFFFAOYSA-N 394.880 2.879 0 40 GFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cc2ccc3c(c2)OCCO3)c1 49123828 ZCEDLPKWWMQFTF-OAHLLOKOSA-N 382.460 2.845 0 40 GFAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Br 8181468 NIDBAIBRJNMDEJ-UHFFFAOYSA-N 389.315 2.716 0 40 GFAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 49547891 XZKOKTGIANLIOP-UHFFFAOYSA-N 377.533 2.520 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O 4249303 QRLRDPYFXGAMMJ-INIZCTEOSA-N 395.507 2.599 0 40 GFAB COC(=O)c1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 13757562 LINGVUJLXQASRV-DHDCSXOGSA-N 397.843 2.806 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nsc3ccccc23)CC1 5347563 MBHVMUGWRXMIIH-QGZVFWFLSA-N 381.457 2.785 0 40 GFAB O=C(c1nc(N2CCOCC2)ncc1Cl)N1CC=C(c2ccccc2)CC1 65592304 ILQYLIIUSVRRHN-UHFFFAOYSA-N 384.867 2.896 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncnc3ccccc23)CC1 14158970 NHKHDCRFAIREQB-UHFFFAOYSA-N 394.909 2.856 0 40 GFAB CCOc1ccc([C@@H]2CCCN2Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 14169438 VKVAGERFKYHSEF-IBGZPJMESA-N 392.459 2.689 0 40 GFAB COC(=O)c1cc(NC(=O)S(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 4508421 ZMDJDTNTLMNSRU-UHFFFAOYSA-N 391.401 2.574 0 40 GFAB CC(C)c1ccc(-n2ccnc2SCC(=O)N2CCCS2(=O)=O)cc1 69713008 WNKZISROJBVVPI-UHFFFAOYSA-N 379.507 2.650 0 40 GFAB O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 8327167 OZSCPTZCJDVPTP-UHFFFAOYSA-N 385.917 2.689 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc1C 8588226 WYADHGFQYFYRKX-UHFFFAOYSA-N 397.862 2.967 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 6678926 MAPSERCMVDQHAD-UHFFFAOYSA-N 393.852 2.545 0 40 GFAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1c(C)noc1C 6882125 GSCOBYPSMMSCLG-UHFFFAOYSA-N 387.436 2.634 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)cc1 4984996 LDDLGJDBHWAKSA-IBGZPJMESA-N 393.443 2.675 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(CN2CCCC2=O)c1 8705236 CSUWIWJVZXDASO-UHFFFAOYSA-N 380.444 2.852 0 40 GFAB Cc1cc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)no1 306141280 VQMBJKFQKXYQGV-LJQANCHMSA-N 389.415 2.906 0 40 GFAB CCOc1cc2c(cc1CNC(=O)CSc1nnc3ccccn13)O[C@@H](C)C2 9112399 MAHBPVCSPCXWFK-ZDUSSCGKSA-N 398.488 2.860 0 40 GFAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCC(=O)NC2)cc1 72062910 HYNSREDUBFVLIS-IBGZPJMESA-N 388.471 2.915 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(C(F)(F)F)cc1 84403036 ZENJQXCPMLSHNK-GJZGRUSLSA-N 382.382 2.887 0 40 GFAB COc1ccc(N2CCCC2=O)c(NC(=O)c2cn(C)c(=O)c3ccccc23)c1 79488345 NWCKAQGLGQUKMS-UHFFFAOYSA-N 391.427 2.926 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(CCc3ccccc3)C[C@H]1C2 306138052 RNUSJYDWUFQHLY-MOPGFXCFSA-N 387.487 2.877 0 40 GFAB CCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3)nnc12 35528666 UGXSFSJKRULKHY-UHFFFAOYSA-N 395.488 2.765 0 40 GFAB CCc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 72347181 LMJBWPRPEXUWOP-HZPDHXFCSA-N 382.508 2.504 0 40 GFAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(F)cc1 35572367 HYUVOMVUFWRCKN-LJQANCHMSA-N 398.434 2.744 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cc2ccccc2[nH]c1=O 71283331 ZELKKHYTCKWQMH-CYBMUJFWSA-N 380.404 2.720 0 40 GFAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619052 BCMQKDYKXVAUKG-GFCCVEGCSA-N 393.451 2.564 0 40 GFAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72346126 SKPFHOWHXJTDMQ-MRXNPFEDSA-N 383.471 2.667 0 40 GFAB COc1ccccc1-c1cccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72349285 MLDWGMRHHDVNBX-HNNXBMFYSA-N 375.494 2.743 0 40 GFAB Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)C3CCOCC3)cc1)NC2=O 72341169 NEECPAYRBIROGX-GOSISDBHSA-N 380.448 2.634 0 40 GFAB CN1CCN(C(=O)NC2CCC(C(F)F)CC2)C[C@H]1c1nc(C2CC2)no1 563102488 DRVMTIMPJGRQIX-UBHUBRDASA-N 383.443 2.769 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 47103417 XIGHSPLIEBMVHS-UHFFFAOYSA-N 388.489 2.612 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 223091990 GBTMLNOOWSMMED-UHFFFAOYSA-N 388.902 2.655 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(SCC(=O)OC)s1 223204935 IXWCTBYDSKNMFQ-SNVBAGLBSA-N 385.442 2.738 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222422196 UTQNRHCWSIRLTQ-HNNXBMFYSA-N 376.478 2.588 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(-n3nnnc3C)c2)c1 45687480 WTFPZCGOJZLKMQ-GFCCVEGCSA-N 382.424 2.871 0 40 GFAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 44850477 HMQPUCRJWJROIE-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)ccc21 40286796 BPWBIZRSAOWJJR-WOPDTQHZSA-N 392.381 2.859 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(Cl)cc21 223341369 ZLCRWWQWZZJUQL-UHFFFAOYSA-N 387.244 2.917 0 40 GFAB O=C(c1ccoc1)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 77099708 UZBLCOJZUYLCMJ-UHFFFAOYSA-N 396.487 2.996 0 40 GFAB Cc1nc2n(c(=O)c1C)CN(CCCO)CN2c1ccc(Cl)cc1Cl 96305506 SDUXIIHIMPJFNM-UHFFFAOYSA-N 383.279 2.918 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)Nc1cccc(F)c1)C2 96238161 MFLDHQRFSPYPAM-LJQANCHMSA-N 388.468 2.842 0 40 GFAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(N)c1I 95094721 QNXUOXVGTMLQPD-UHFFFAOYSA-N 391.596 2.889 0 40 GFAB CCn1nc(C)cc1C(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 247825331 JBOCZRPHSSEMCK-CYBMUJFWSA-N 376.457 2.525 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 257255825 KJAKRYCNBWCTEO-MRXNPFEDSA-N 379.439 2.883 0 40 GFAB Cc1cc2nc(CCC(=O)N3CC[C@H](O)[C@@H](n4ccnc4)CC3)[nH]c2cc1C 257302878 SETXZBYBBGNLRT-OALUTQOASA-N 381.480 2.533 0 40 GFAB CCCn1nccc1C(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C 257261954 LJKODCMSIFSWBB-DWIQEWEKSA-N 376.545 2.769 0 40 GFAB Cn1cc(-c2nc(C(=O)N[C@H]3CCc4nc(C(C)(C)C)cn4C3)cs2)cn1 624288100 QHYXORJBBKLJDA-ZDUSSCGKSA-N 384.509 2.782 0 40 GFAB CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](Cc1ccccc1)c1ncco1)CC2 654452416 OTMDUHDRNXVBBI-SJORKVTESA-N 394.479 2.988 0 40 GFAB CC(C)(C)n1nnc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 657330722 XOKGAXJCPGMAIE-ZDUSSCGKSA-N 393.333 2.807 0 40 GFAB O=C(c1nnn(C2CC2)c1C(F)(F)F)N1CCN(CCc2ccccc2)CC1 608581877 UKBKQWMTQWPGCL-UHFFFAOYSA-N 393.413 2.632 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc(C)n1 390827079 DUIXXPIUYVRYDK-UHFFFAOYSA-N 377.448 2.963 0 40 GFAB COc1ccc(C(=O)CN(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1OC 575422100 KVLXHRUKAWDLPN-KRWDZBQOSA-N 387.457 2.704 0 40 GFAB O=C(CCc1cccnc1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615160344 ZIBPWTFEBZOXLS-UHFFFAOYSA-N 397.450 2.578 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2I)[C@H]2C=C[C@H]1C2 101376809 JHFKWZDIPKUACZ-VDUILEQBSA-N 383.185 2.753 0 40 GFAB COCCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccncc1 5027244 UQIQSNVTZRGHFG-ZBFHGGJFSA-N 389.525 2.774 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cc1 16691851 WIHVSPXCHFTZQL-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB Cc1ccc([C@H](C)C(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)cc1 19136368 ATGDIECVLGBIHI-WMZOPIPTSA-N 377.492 2.737 0 40 GFAB CCCc1cc(C(=O)N2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)no1 19525362 POGBZTYCAJDYMR-LJQANCHMSA-N 397.479 2.689 0 40 GFAB O=C(Cc1cccc2cccnc12)Nc1ccc(N2CCCS2(=O)=O)cc1 19662690 IUAPPPFFTDRESW-UHFFFAOYSA-N 381.457 2.956 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cnn(C)c4C)C3)cc2n1 12258052 BXXWYKNPUXEJNP-LBPRGKRZSA-N 392.385 2.728 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)NCc2ccc(OC(F)F)cc2)no1 11509176 YTWSHFUSSBHPNP-UHFFFAOYSA-N 385.392 2.573 0 40 GFAB CN(C)c1ccnc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n1 1889116269 MNMKGMUGHWWSDE-GXTWGEPZSA-N 378.402 2.672 0 40 GFAB O=C(c1cncc(Br)c1)N1CCC(COc2ncccn2)CC1 1775995941 OCZFFIKRIOFUND-UHFFFAOYSA-N 377.242 2.565 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940794 BDLSZUVSNSGFKV-NSHDSACASA-N 378.837 2.820 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2ccccc2F)CN1c1ccc(Cl)cc1 9036751 CCRNNXMMVPDZHJ-LBPRGKRZSA-N 382.844 2.811 0 40 GFAB CCC(=O)Nc1ccc(SCC(=O)Nc2cc(OC)ccc2OC)nn1 11738965 ZEQXUGPLZJRSBJ-UHFFFAOYSA-N 376.438 2.573 0 40 GFAB COc1c(F)c(F)cc(C(=O)NCc2cncc(-c3ccnn3C)c2)c1F 575616498 MNVYNSUBPGERGO-UHFFFAOYSA-N 376.338 2.838 0 40 GFAB CC(C)c1nc(S(=O)(=O)NCc2nccnc2-c2cccs2)cn1C 575619262 BUPJKIIHKUKZQB-UHFFFAOYSA-N 377.495 2.541 0 40 GFAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1cc2ccccc2oc1=O 22765829 BINMPSMGUXJCGE-QGZVFWFLSA-N 384.457 2.658 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NCC[C@H](O)c1cccc2ccccc12 77118540 KLSBEVKSVWBRKL-FQEVSTJZSA-N 392.455 2.705 0 40 GFAB Cc1cc(CNC(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)ccc1F 40069107 NDRPLKJAZRUPJC-UHFFFAOYSA-N 393.484 2.820 0 40 GFAB CCC(CC)N(CCOC)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 40089856 CKFUYKAXHLTXNI-UHFFFAOYSA-N 387.480 2.600 0 40 GFAB O=C1C[C@]2(CC(c3ccc4c(c3)OCCO4)=NO2)C(=O)N1c1cccc(Cl)c1 40286659 ISIQVRSSBJRMAL-HXUWFJFHSA-N 398.802 2.938 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)OCCO3)nn1-c1ccccc1F 7068745 PDTPQSJSOJVWPB-UHFFFAOYSA-N 381.363 2.704 0 40 GFAB CCOC(=O)c1c(N)sc2c1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]21 100435629 IQOIFVALVZGMDY-CHWSQXEVSA-N 376.478 2.855 0 40 GFAB COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCCCC3)c(=O)[nH]c2c1 782670 ZAWKHNDPQSAGDT-GOSISDBHSA-N 396.495 2.854 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCc1c[nH]c2cc(F)ccc12 50766323 PKRMYSPVFKWBBB-UHFFFAOYSA-N 381.329 2.846 0 40 GFAB CCOc1ccccc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11257659 KCWYQAMGSUMLGD-QGZVFWFLSA-N 388.489 2.718 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccc(F)cc1 45693086 CELTXSGVEDOSNY-INIZCTEOSA-N 385.374 2.708 0 40 GFAB CSCC[C@H](NC(=O)c1nc2nc(C)cc(C)n2n1)c1nc2ccccc2[nH]1 6551748 ANZJAZDLJAWWMZ-HNNXBMFYSA-N 395.492 2.842 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1cccs1 6817919 BNBJSWVJAYMMTR-UHFFFAOYSA-N 392.487 2.603 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1I 101376807 JHFKWZDIPKUACZ-NGERZBJRSA-N 383.185 2.753 0 40 GFAB CCOc1ccc2nc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[nH]c2c1 7718925 WOJUUDYSQKCWKR-UHFFFAOYSA-N 383.433 2.862 0 40 GFAB CSCC[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O 20761794 RBIVSGQDCLUZKP-LBPRGKRZSA-N 385.283 2.726 0 40 GFAB biogenic COc1ccc([C@H](CNc2c(NCc3ccco3)c(=O)c2=O)N2CCCC2)cc1 101692221 DSSVLGOIEBMLMC-SFHVURJKSA-N 395.459 2.745 0 40 GFAB CCCS(=O)(=O)NC1CCN(C(=O)Nc2nc3ccccc3s2)CC1 32912692 UPPSNANNJBFOMN-UHFFFAOYSA-N 382.511 2.622 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(c2nnc3ccccn23)CC1 67443022 PBABMOGLCWDDFY-CQSZACIVSA-N 393.447 2.665 0 40 GFAB COc1cc(/C=C/C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc(OC)c1 32902855 MGRPKLNOCNAVNK-XLBHYRNJSA-N 376.497 2.721 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1)S(C)(=O)=O 22251851 CUYIVJRPKWBREM-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB COC(=O)c1sc(NC(=O)CSc2nc(C)nc3c2CCC3)nc1C 12017024 OJWVIDRZANHVEI-UHFFFAOYSA-N 378.479 2.556 0 40 GFAB COC(=O)c1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 53332278 PNRMRWXDDKGMKV-UHFFFAOYSA-N 383.444 2.717 0 40 GFAB Cc1cc(C)c2c(c1)NC(=O)[C@H]2Cc1nc(-c2c(C)ncc3c2CCNC3)no1 103525227 GUTSYRNMCAFLSP-INIZCTEOSA-N 389.459 2.981 0 40 GFAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(-c2nnn[nH]2)cc1 22603659 HFVWPWXJCDUTBF-UHFFFAOYSA-N 384.827 2.609 0 40 GFAB O=C(CCn1cccn1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 46919527 YJBRJKDVGSDHHR-INIZCTEOSA-N 394.397 2.772 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 61203868 ASAIAFJAUKEWRN-OAQYLSRUSA-N 391.471 2.932 0 40 GFAB CCCN(CC1CC1)C(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 23642086 SMUYCQDHDCQBHP-INIZCTEOSA-N 395.887 2.631 0 40 GFAB C[C@H]1CCCN(C(=O)CSCC(=O)/N=c2\sc3ccccc3n2C)C1 100825469 LOOMSYQSPCCJAX-UNQMGURYSA-N 377.535 2.659 0 40 GFAB CNC(=O)c1ccc(CN(C(=O)CCn2c(=O)oc3ccccc32)C2CC2)cc1 24758684 JBWBZWSYCHCWAX-UHFFFAOYSA-N 393.443 2.535 0 40 GFAB COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 7349554 GYOFLJLXNKRTLP-ZDUSSCGKSA-N 396.896 2.930 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492830 IXLJUHZPDRWJHT-UHFFFAOYSA-N 385.489 2.747 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OCC)cc2)c1=O 57478790 IYGUHTXJHAECHZ-UHFFFAOYSA-N 387.461 2.672 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 22539435 UNYRTGPTRYOLQV-KGLIPLIRSA-N 394.468 2.769 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@H](c2ccccc2I)N1 3191219 ZIEFQHVDLKTUHH-CYBMUJFWSA-N 389.200 2.737 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O)c1ccc(F)cc1 58218830 XRNZHQURTLUKMI-ADLMAVQZSA-N 375.425 2.532 0 40 GFAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 12625951 NHMJNEFHOJIJHB-NRFANRHFSA-N 388.471 2.596 0 40 GFAB Cn1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 306126018 DJLRFFDKUKACBD-QGZVFWFLSA-N 387.447 2.545 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccccc1 22326349 JLRWZUDBPPGGET-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(-c4nnco4)c3)CC2)c(C)o1 48074298 FWJGVYOQXSHGIV-UHFFFAOYSA-N 395.419 2.936 0 40 GFAB Cc1cccc(CN2CCN(C(=O)COC(=O)c3c(F)cccc3F)CC2)c1 12779576 PVVYMRYMBIIEFS-UHFFFAOYSA-N 388.414 2.774 0 40 GFAB CN1CC2(CCN(Cc3ccncc3)CC2)c2nc(C(C)(C)C)ncc2C1=O 306124716 BXNJFQSBASSMIX-UHFFFAOYSA-N 379.508 2.789 0 40 GFAB CCN(CC)c1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cn1 48235007 GWJWBGDWEWCZML-HXUWFJFHSA-N 397.523 2.950 0 40 GFAB COc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 12881640 WZDZUZZWZPCABW-UHFFFAOYSA-N 383.473 2.731 0 40 GFAB O=C(Cc1noc2ccccc12)Nc1ccccc1C(=O)NC[C@H]1CCCO1 12928623 ATOGVTYCJXIIHA-CQSZACIVSA-N 379.416 2.918 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccn(C)n2)c1 12980992 KSIMHTWOZLMFJR-UHFFFAOYSA-N 376.482 2.626 0 40 GFAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)cc1Cl 12917858 RUKXQWPYXHWPEO-MRXNPFEDSA-N 398.887 2.658 0 40 GFAB NC(=O)c1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1Cl 12903532 UYZACLYLAMXOJK-UHFFFAOYSA-N 391.880 2.991 0 40 GFAB CC1CCN(CCCNS(=O)(=O)c2cccc(Br)c2)CC1 7728804 KQYZPUAFQMWLHC-UHFFFAOYSA-N 375.332 2.849 0 40 GFAB O=C(c1ccccc1C(F)(F)F)N1CC(c2nc(-c3ncccn3)no2)C1 49482915 ZKPTZYYJJQGDGF-UHFFFAOYSA-N 375.310 2.785 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1 5310992 WZRZGKYSFWEOJR-UHFFFAOYSA-N 378.837 2.889 0 40 GFAB CC(=O)NCc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)s1 6649042 TVGGWHJBYTWZSD-UHFFFAOYSA-N 375.837 2.630 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)nn(C)c3C)n2C)cc1 4783758 XIPTXPPUBLXJRF-UHFFFAOYSA-N 386.481 2.572 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)sc3C)CC2)s1 8749080 XGWLLCBGSWSSFI-UHFFFAOYSA-N 384.548 2.882 0 40 GFAB COc1ccc(-c2nc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cs2)cc1OC 8762399 BJJHKWZWAUDQCS-QGZVFWFLSA-N 397.456 2.784 0 40 GFAB CCOC(=O)CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OCC)cc1 8788333 DFYUBXSLYTYZFL-UHFFFAOYSA-N 388.445 2.604 0 40 GFAB CCn1ccnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 8709084 BLIGJIQHRJTYEZ-ZDUSSCGKSA-N 396.538 2.709 0 40 GFAB O=C(CNC(=O)c1ccccc1Br)Nc1ccc2c(c1)OCO2 8986076 TZLJABMDXGNICI-UHFFFAOYSA-N 377.194 2.546 0 40 GFAB OC1C2(c3ccccc3)CN3CC1(c1ccccc1)CN(C2)C3c1ccncc1 19332219 ATRLCZXULUCSOJ-UHFFFAOYSA-N 383.495 2.962 0 40 GFAB O=C(CN1CCCCc2c(Cl)cccc21)N1CCN(C(=O)C2CC2)CC1 96014170 UVJHETBVRBBFFJ-UHFFFAOYSA-N 375.900 2.564 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)cc1 9676648 FLYMFYRYFARRNI-UHFFFAOYSA-N 394.518 2.648 0 40 GFAB CN1CCN(c2ccc(CNC(=O)N3CCc4ccc(Cl)cc43)cn2)CC1 60536044 HCAOPCYZGRCLEP-UHFFFAOYSA-N 385.899 2.759 0 40 GFAB O=C1CCCN1Cc1cccc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)c1 79069968 MNUJWDKOVFGJPL-INIZCTEOSA-N 384.398 2.993 0 40 GFAB CN(C)C1(CNC(=O)c2ccc3nnc(C(C)(C)C)n3c2)Cc2ccccc2C1 546011114 CDEGJEUMZZMBAH-UHFFFAOYSA-N 391.519 2.856 0 40 GFAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccco1 408709919 ZLQIABGRVFRRNK-UHFFFAOYSA-N 391.427 2.773 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409119406 UELKXVCYDHURAW-INIZCTEOSA-N 390.505 2.501 0 40 GFAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)c1OC 73257550 CKUCWPTUZQKDGP-RHZWSATBSA-N 387.432 2.501 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccc(NS(C)(=O)=O)c1 32916600 SMFWKLHDWRNXQR-SECBINFHSA-N 394.927 2.813 0 40 GFAB COc1ccccc1Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 72358283 ZXUQGDXXGOMFHR-LJQANCHMSA-N 398.488 2.930 0 40 GFAB CCOc1ccccc1C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2cccnc21 72391586 OGFNJZPDBYAECI-MRXNPFEDSA-N 393.491 2.679 0 40 GFAB CC(C)c1ccc([C@@H](C)NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)cc1 36612408 BNLYREREZBRNQP-OAHLLOKOSA-N 384.480 2.507 0 40 GFAB O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 49550777 LNIPAYGPSNEWNW-ZDUSSCGKSA-N 398.444 2.697 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 223623489 WMDXUJJWYJZSIQ-UHFFFAOYSA-N 378.469 2.567 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 222855678 NXMHTMJFLPIWEF-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB COc1ccc2cc(S(=O)(=O)NC[C@H]3COc4ccccc4O3)ccc2c1 225282856 DUXKRMAUGINWGR-KRWDZBQOSA-N 385.441 2.967 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223196043 TZOHABNAHYEQAO-IBGZPJMESA-N 388.439 2.767 0 40 GFAB COc1ccc(-c2cc(CC3(C(=O)O)CCN(C(=O)C4CC4)CC3)on2)cc1 12328892 GDYLOUXTPPUNTH-UHFFFAOYSA-N 384.432 2.996 0 40 GFAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N[C@@H](C)c2nnc3ccccn23)cc1 95476465 ZQZQUSVYBXRREP-AWEZNQCLSA-N 390.447 2.856 0 40 GFAB CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(Cl)cc1 96519975 KOVYNRMMISVPGL-BDAKNGLRSA-N 395.045 2.746 0 40 GFAB COc1ncccc1C(=O)N1[C@@H](c2ccccc2)C[C@@]2(C)[C@@H](O)[C@@H](O)CCC[C@@H]12 257244966 INNDTKKVKZVOAK-MRXSCTINSA-N 396.487 2.958 0 40 GFAB Cn1ccnc1SCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 90608240 WEZCPYIBGXYVLC-UHFFFAOYSA-N 387.477 2.891 0 40 GFAB Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 612094439 NVCQJUKBAXUQET-OAQYLSRUSA-N 399.516 2.699 0 40 GFAB CO[C@@]1(c2nnc(Cn3nnc(-c4ccc(Cl)cc4)c3C)o2)CCOC1 643650738 NFTKISRNWRZZIA-KRWDZBQOSA-N 375.816 2.600 0 40 GFAB Cc1csc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)c1 96024231 XOWMQALZRGSYHN-UHFFFAOYSA-N 396.516 2.792 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cc1 390828412 AXMSGLBLBGUSMG-KRWDZBQOSA-N 392.502 2.709 0 40 GFAB O[C@H]1CCN(Cc2ccncc2)CCCCCc2cc(F)ccc2OC[C@H]1O 1615161560 NVACMRNOYQAJJV-LEWJYISDSA-N 388.483 2.940 0 40 GFAB Cc1cc(C(=O)N2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)ccn1 1615156151 BHPDHLWVKAMITQ-LEWJYISDSA-N 398.503 2.750 0 40 GFAB CC(C)[C@@H]1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1 12188585 LWWGBHMHMNVKCK-HSZRJFAPSA-N 397.519 2.939 0 40 GFAB CCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1nc2c(C)cccc2s1 12869455 DMFQCQJHNRHBHA-UHFFFAOYSA-N 386.477 2.822 0 40 GFAB CCCOc1ccc(C(=O)Nc2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1 13364507 VAJOPEHONTVYKP-UHFFFAOYSA-N 381.432 2.587 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1 13633148 ZYHHDQDSJFENQV-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnc(-c2ccccc2)o1 14108878 FICPRPWVXPISCA-KRWDZBQOSA-N 387.399 2.881 0 40 GFAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)N3CCCC3)c12 17081097 JBZIUFMGUSHBMG-BOPFTXTBSA-N 396.516 2.514 0 40 GFAB CC(=O)Nc1ccc(CN2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 19022507 WHAXCLNMNITHBG-OFNKIYASSA-N 391.471 2.804 0 40 GFAB Cc1cc(C)n(CCCC(=O)N2C[C@H]3Cc4c(n[nH]c4C(F)(F)F)[C@H]3C2)n1 19574134 DCSMYEAYCAVPOJ-OCCSQVGLSA-N 381.402 2.820 0 40 GFAB CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929668 XMCUCWDLCMAOHD-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)cc1OC 6441697 AMUGPWREGRHDRR-UKWGHVSLSA-N 392.795 2.585 0 40 GFAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 101273958 YNQCHIRGTWRVKB-HNNXBMFYSA-N 385.397 2.816 0 40 GFAB CC1(C)CN(C(=O)NCc2cccc(OCC(N)=O)c2)CCc2ccccc21 664235843 HTTNXBFGTZZRTD-UHFFFAOYSA-N 381.476 2.596 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)c1F 253471933 GRAOGULZSVIJMB-GFCCVEGCSA-N 383.379 2.578 0 40 GFAB COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 1505573 XSIDMJFJOLVDRY-UHFFFAOYSA-N 391.474 2.808 0 40 GFAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)Nc1nccs1 2720494 QDOIRWRKDGMPJR-LLVKDONJSA-N 376.419 2.769 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1903847854 QJPCKAJTLHDNCS-UXTBTXDCSA-N 390.520 2.719 0 40 GFAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)c1 5257239 FBLWISYPTXYILE-UHFFFAOYSA-N 381.461 2.901 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1c2ccccc2C[C@@H]1C 7458791 QMEMWGAZICZWGF-ZDUSSCGKSA-N 379.391 2.972 0 40 GFAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccco1 8977745 NCGIMZPAXOEQBC-UHFFFAOYSA-N 377.447 2.775 0 40 GFAB O=C(/C=C\c1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 17178091 AFLXGINJEDKOKK-QXMHVHEDSA-N 379.441 2.953 0 40 GFAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)o1 35597489 KOXAHZSMGXZNFR-UHFFFAOYSA-N 393.402 2.518 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575609126 JDEBMOSHXJPSJG-AWEZNQCLSA-N 385.848 2.810 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)c3cccnc3)c2N)cc1 19213133 CWVLSDWYGPYIAZ-SFHVURJKSA-N 375.432 2.645 0 40 GFAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@H]1CCS(=O)(=O)C1 40030844 HQKQSTOQAROTBX-NSHDSACASA-N 376.459 2.607 0 40 GFAB C[C@@H](NC(=O)COc1ccc(NC(=O)Cn2cccn2)cc1)c1ccc(F)cc1 40135328 ABQRBJQCWVTZTF-OAHLLOKOSA-N 396.422 2.917 0 40 GFAB Cc1nc(C)c(CC(=O)NCc2ccccc2CN2CCCC[C@H]2C)c(=O)[nH]1 40112366 XMTYEPHQTUGZEQ-OAHLLOKOSA-N 382.508 2.620 0 40 GFAB Cc1ccc(O)c(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)c1 50177770 ACHAWAVLYOOPHQ-OAQYLSRUSA-N 379.416 2.638 0 40 GFAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cc(OC)ccc1OC 2486522 QLNJDRROIXPOJR-INIZCTEOSA-N 376.434 2.527 0 40 GFAB O=C(C[C@H]1OC(=O)c2ccccc21)NC[C@@H](c1cccc(F)c1)N1CCOCC1 69407882 BJGNPMZASKLNBO-VQTJNVASSA-N 398.434 2.617 0 40 GFAB O=C(Nc1nnc2n1C[C@H](OC(=O)c1ccccc1)CS2)c1ccccc1 1099598 JPGRKKYZWPQMMM-HNNXBMFYSA-N 380.429 2.862 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 1985829 IVDHTSGTLLWHCI-SFHVURJKSA-N 380.444 2.834 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)c1 4106212 LIGHKPRYUYPXNX-AREMUKBSSA-N 377.466 2.670 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 4912462 MMOPUDRNPABENS-UHFFFAOYSA-N 399.882 2.878 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1C 6281288 OPVPIZQUDZEKMJ-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 6314779 XTSSGWUUUODRNN-UHFFFAOYSA-N 390.299 2.721 0 40 GFAB CSCC[C@@H](C(=O)NCc1ccc(C)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101404605 YWOSFPCQZXHUHS-KSZLIROESA-N 388.533 2.908 0 40 GFAB O=C(NC(=S)NCc1ccco1)c1cccc(I)c1 100449947 UZZWASOPIRRWDI-UHFFFAOYSA-N 386.214 2.689 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)c1 8037116 KTWOOFYNVAUXRG-FUHWJXTLSA-N 380.444 2.769 0 40 GFAB COc1cc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc(OC)c1OC 8361710 MJWYDTPXJDCNMS-UHFFFAOYSA-N 398.459 2.765 0 40 GFAB CCc1ccc([C@@H](NCc2cc(=O)n(C)c(=O)n2C)c2cccc(F)c2)cc1 32865640 FTAYZCKUAAYJNY-OAQYLSRUSA-N 381.451 2.665 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCC(C)CC2)C1=O 32932590 JHPGNXKHOPDBAP-UHFFFAOYSA-N 387.480 2.738 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 32906404 BWGSNVKHVRIISC-LBPRGKRZSA-N 391.269 2.791 0 40 GFAB C[C@@H](OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)C12CC3CC(CC(C3)C1)C2 9883961 BFYDXDCBJXAKBM-QEQNRGDESA-N 399.487 2.655 0 40 GFAB CSCC[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2636054 KUYZBILNNJVVEX-QGZVFWFLSA-N 386.448 2.860 0 40 GFAB COc1ccc(OCC(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 100213915 JBCYVRPVIYSORU-GASCZTMLSA-N 395.463 2.831 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 21959821 OPYSIDUAYZVJNO-UHFFFAOYSA-N 386.879 2.998 0 40 GFAB COc1ccc(CSc2nnc(Nc3cccc(C(C)=O)c3)c(=O)n2N)cc1 28535785 NGLLYZDYEAKTEI-UHFFFAOYSA-N 397.460 2.599 0 40 GFAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 692116 BWOGQSCPYZXGNI-SFHVURJKSA-N 388.489 2.634 0 40 GFAB CON(C)S(=O)(=O)c1cccc(C(=O)N2CCSc3ccccc32)c1 57810956 RNXQHQDHMLHDHJ-UHFFFAOYSA-N 378.475 2.621 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8622950 MAXBJMYNWGWUCK-IBGZPJMESA-N 386.791 2.719 0 40 GFAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 804903 XDPJXDYYJGNRBA-UHFFFAOYSA-N 380.510 2.545 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 882797 FJQRUUOSLSJDEG-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB COc1cccc(-c2nc(C)c(C(=O)N3CCN(c4ncccn4)CC3)s2)c1 12389851 LMYLAPUDMWMZTO-UHFFFAOYSA-N 395.488 2.880 0 40 GFAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cncc(Br)c1 24696138 CCLVPBMIVOGSSN-UHFFFAOYSA-N 389.205 2.687 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2F)cc1Cl 62065737 FBMDMLLISJRLBQ-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB CC(C)CCNC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473214 ZGNKKSIMPMKXLJ-UHFFFAOYSA-N 399.516 2.630 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1 57885918 WFNJXBQQXXPTGJ-OAHLLOKOSA-N 375.494 2.675 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccccc2)c(OC)c1 27155464 DFMVILGVMZGZNZ-IBGZPJMESA-N 397.475 2.867 0 40 GFAB O=S(=O)(c1cccc(-c2csc(-c3cccnc3)n2)c1)N1CCOCC1 2265040 VAHRBQQAKZMNNQ-UHFFFAOYSA-N 387.486 2.893 0 40 GFAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccco1 2299302 MSTWTWKKEXEENQ-CYBMUJFWSA-N 391.431 2.717 0 40 GFAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccccc2F)n1 10730915 XSTIBILYFIFVRX-UHFFFAOYSA-N 385.351 2.756 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2cccc(F)c2)n([C@@H]2CCS(=O)(=O)C2)n1 12737824 MZTMIYIEYNCOLJ-CQSZACIVSA-N 379.457 2.932 0 40 GFAB CC(C)CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 12744295 MWYXIJGEEFFXIY-MRXNPFEDSA-N 383.558 2.757 0 40 GFAB COc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1OC 12893878 YRHHHDWBNUZGDJ-UHFFFAOYSA-N 391.474 2.998 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CSCc1cccc(C)c1 12875044 DZGAWRINVJSQNB-UHFFFAOYSA-N 392.546 2.594 0 40 GFAB CCCCn1c(N)c(N(C)C(=O)/C=C/c2cccc3ccccc23)c(=O)[nH]c1=O 12812341 QBRZDZKAGWLGSU-OUKQBFOZSA-N 392.459 2.748 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl 3409258 YJJMHVIQNNLFII-TXEJJXNPSA-N 387.885 2.690 0 40 GFAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 13000328 LNSDGQCSZDFEDE-CQSZACIVSA-N 390.505 2.715 0 40 GFAB CN(C)S(=O)(=O)c1cc(NCC(=O)N2CCc3ccccc32)ccc1Cl 6049275 CFWDABGZEHOKBO-UHFFFAOYSA-N 393.896 2.592 0 40 GFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCC[C@H]3CCCC[C@@H]32)C1=O 8183660 WOYYFQKPYWYZKQ-ULYRPOKDSA-N 399.491 2.837 0 40 GFAB COC(=O)c1ccc(NC(=O)CCCCCn2nnc3ccccc3c2=O)cc1 5269951 IMQZPZHOEXBAOY-UHFFFAOYSA-N 394.431 2.777 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2NC1=O 5264098 FQFNIJADPGEBML-NSHDSACASA-N 394.456 2.628 0 40 GFAB Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)c2c3c(c(=O)oc2c1)CCC3 5345296 CTPNAZZVUUROSL-UHFFFAOYSA-N 392.411 2.707 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 8267100 LQOQBDVYDAQZGQ-RCDICMHDSA-N 395.434 2.961 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c(Br)c1 6851283 KLRFHYSGZAADPS-UHFFFAOYSA-N 389.297 2.913 0 40 GFAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)c1 116222481 UBNUCKQWBZXAJG-UHFFFAOYSA-N 380.491 2.676 0 40 GFAB CCc1c(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)cnn1-c1ccc(OC)nn1 95349552 LXHRPIOYRAYGNP-IZZDOVSWSA-N 393.403 2.583 0 40 GFAB O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 78973062 JKZSRWZUSLZARU-SJKOYZFVSA-N 376.815 2.682 0 40 GFAB CCN(CC)C(=O)CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 95958590 KZJKTTVODPDKOJ-MRXNPFEDSA-N 395.500 2.704 0 40 GFAB CN1CC[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@@H]1c1ccc(F)c(F)c1 89375107 CXFIBYZPQSXPIB-OALUTQOASA-N 383.402 2.721 0 40 GFAB CCN(CC)C(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208337 GMAUVZXOXFNSMN-UHFFFAOYSA-N 375.432 2.580 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 22335478 WLZAWEURWXKAOZ-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 409135220 VSFJJDNOJJNVKQ-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CCc1c(C)nc2ncnn2c1O 36569511 MWSRQFRADANFPY-UHFFFAOYSA-N 390.241 2.781 0 40 GFAB Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cc(-c3ccccc3)[nH]n2)on1 527465723 NIJZBVXKVUEKIJ-HOTGVXAUSA-N 383.427 2.716 0 40 GFAB CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 529420899 ZLMKPVOVFDIABY-HOCLYGCPSA-N 387.448 2.902 0 40 GFAB CCOC(=O)C1=C(CSC(=S)N(CC)CC)NC(=O)N[C@H]1c1ccco1 32753303 PKZAUNKTYMPKPC-AWEZNQCLSA-N 397.522 2.811 0 40 GFAB Cn1cc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccccc2)cn1 72354700 CNCXFZRNNINEFB-SFHVURJKSA-N 376.464 2.756 0 40 GFAB COc1cc(OC)cc(OCC(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 216331809 WDLPDKHXXQCPMJ-UHFFFAOYSA-N 375.421 2.758 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)c3cc(-c4cccs4)n[nH]3)n2)cn1 225814117 BBOTWYNSJHXXDU-UHFFFAOYSA-N 396.432 2.912 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C)c1C 225246701 HVIOUEVGNVOBHW-UHFFFAOYSA-N 378.469 2.962 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCC[C@@H](C)C3)s2)cc1 225662082 CXKIBCLXQQTUEW-GFCCVEGCSA-N 380.495 2.519 0 40 GFAB CCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1 225723714 GHOPLBSBWOJEAQ-UHFFFAOYSA-N 395.385 2.688 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2CCc3[nH]c4ccccc4c(=O)c3C2)c1 48988384 IVFCXGLYJGGKTC-UHFFFAOYSA-N 393.443 2.542 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2Cl)s1 223449131 LYMZOMTVEIMOGP-MRVPVSSYSA-N 387.870 2.863 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220123959 IRKRSJXJFPLCIU-MRXNPFEDSA-N 390.505 2.517 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)N[C@H](CC)c1ccc2c(c1)OCCO2 40157582 BVWQFRGQZSEXBB-QGZVFWFLSA-N 398.459 2.854 0 40 GFAB COc1ccc([C@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCC2)cc1 45116093 PZHDLSZDQSDSMA-FQEVSTJZSA-N 393.491 2.922 0 40 GFAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 96036768 VKOPYHNKXFWKMH-QGZVFWFLSA-N 388.537 2.607 0 40 GFAB CCC[C@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)N[C@H](C(=O)O)C(C)C)N=C1O 95471904 AITJNGPNNSWSJA-AAEUAGOBSA-N 399.513 2.630 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 250016830 YRDXOXZWBPTVBK-WDSOQIARSA-N 376.522 2.921 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 524735365 XRGCJIJHUVDILW-VGOFRKELSA-N 382.460 2.721 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252515396 JOKFNCKTRSNNSX-JZXOWHBKSA-N 380.849 2.997 0 40 GFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1)c1ccon1 257221972 DRILYRQYKXLMJR-ONTIZHBOSA-N 383.492 2.742 0 40 GFAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN2Cc2ccccc2OCC(=O)O)n1 257321211 WAPIPYWYTDGTQL-MRXNPFEDSA-N 393.447 2.976 0 40 GFAB C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)Cn3cccn3)[C@H]1CCCCC(=O)N2 257337266 YSBQQVWHYRXMLB-WFXMLNOXSA-N 384.455 2.813 0 40 GFAB C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)c1ccc(-c2ccccc2)cc1 635112012 KGRRCSLSSHVOAY-NDXORKPFSA-N 388.471 2.961 0 40 GFAB C[C@@H](C(=O)Nc1cccc(NC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)c1)n1cccn1 663072045 ZCEKLZAFAPCRES-ZYKFEASCSA-N 396.447 2.912 0 40 GFAB COc1cccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(O)c32)c1OC 670416141 QRPWJQIMPKMPLH-CYBMUJFWSA-N 384.436 2.664 0 40 GFAB O=C1CN(Cc2ccc(Br)cc2)[C@H](c2cccc3c2OCCO3)N1 54706468 VLAWSUYBKGRJSJ-GOSISDBHSA-N 389.249 2.851 0 40 GFAB CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 106364119 HXXZBXUGIQUDGY-KBPBESRZSA-N 384.307 2.899 0 40 GFAB CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772594861 BRSCMBJVCCAKNC-ATZDWAIDSA-N 396.478 2.885 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)N(C)C1=S 8091439 UGBVEECILVUSRI-PDGQHHTCSA-N 396.468 2.838 0 40 GFAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCCC1=CCCCC1 5426908 FKWUQGVRRNAZBX-IBGZPJMESA-N 381.476 2.772 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 12088643 JDDOYNALYDWLRT-KRWDZBQOSA-N 399.458 2.910 0 40 GFAB COc1cccc(CC(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)c1 12129215 LJWSFYLCRHGQNP-UHFFFAOYSA-N 393.443 2.918 0 40 GFAB COc1cc(C)c(CNC(=O)c2cnc(N3CCOCC3)nc2)cc1C(C)C 12193799 NKUGQCPAICNWIV-UHFFFAOYSA-N 384.480 2.684 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCCC(C)C)cc1 12822835 GUWVJVWHHCMXKP-OAHLLOKOSA-N 382.526 2.841 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c(=O)[nH]1 16470683 NIKAYUWSMHSRTK-UHFFFAOYSA-N 385.855 2.856 0 40 GFAB CNc1ncccc1CN1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 19017422 GSLGTLGYZKEULX-LJQANCHMSA-N 380.496 2.545 0 40 GFAB CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC(=O)N(CC)CC)CC[C@H]21 19499187 JXXBTDSMEFYECC-VAMGGRTRSA-N 389.515 2.720 0 40 GFAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)CC[C@@H]2CCCCC2=O)CC1 19573612 SHAVOHMZJRLCDA-HNNXBMFYSA-N 392.521 2.731 0 40 GFAB O=C(N1CCC[C@H]1c1nnc2n1CCNCC2)C1(c2ccccc2F)CCCC1 19710747 AORYMSHTPGUESU-SFHVURJKSA-N 397.498 2.738 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 8169224 WSBIYRUNIUEVHW-JLHYYAGUSA-N 398.440 2.544 0 40 GFAB CCCNC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123400 XZEGRNGOFAMRLC-MRXNPFEDSA-N 396.495 2.707 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccnc3ccccc23)n1 12133991 QQWYKDXDIXSFDT-LIMIJEPZSA-N 390.487 2.658 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(O)n4nc(C(C)(C)C)cc4n3)C2)o1 12162066 IPJHKTGJZJQGTB-ZDUSSCGKSA-N 383.452 2.967 0 40 GFAB COc1cc(C(=O)NC[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O 14484665 UYLIZMFLAZQZNH-LBPRGKRZSA-N 376.840 2.746 0 40 GFAB C[C@H](NC(=O)C1(C(=O)O)CCC1)c1nc(-c2ccc(Br)cc2)no1 663060841 MWXHEDUCWOGEGU-VIFPVBQESA-N 394.225 2.931 0 40 GFAB C[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 668293230 WSZGOPQVSJKABJ-KSYCFECVSA-N 396.281 2.891 0 40 GFAB Cc1cc(NC(=O)C2CCC3(CC2)CN(C)C(=O)c2ccccc2O3)nn1C 19119105 INCNVBCCOCWXFE-UHFFFAOYSA-N 382.464 2.761 0 40 GFAB O=S(=O)(NCc1cccnc1OC1CCCC1)c1cccc2nsnc12 30433665 GPFLRZKSLZMPGM-UHFFFAOYSA-N 390.490 2.886 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775985891 GXYICOYCRDGTLP-UHFFFAOYSA-N 399.466 2.579 0 40 GFAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCN(C)Cc2cccnc2)C1 2037916054 KBNFLZINBMQSNU-QHCPKHFHSA-N 397.519 2.990 0 40 GFAB CC(=O)NCCNC(=O)CCCCCNc1nc(=S)[nH]c2ccccc12 2949145 CTIOGVQKIHWTSA-UHFFFAOYSA-N 375.498 2.517 0 40 GFAB CCN(C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CCCCC1 5201408 MNWKYDQTXUXTOK-HNNXBMFYSA-N 387.480 2.927 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1 217997963 MKDQTQYVYPRWTM-LJQANCHMSA-N 388.445 2.577 0 40 GFAB CCCCc1ccc2c(c1)sc(=NC(=O)c1ccn(C)n1)n2CC(=O)OC 244986309 JPXMNSWLQPPNPU-UHFFFAOYSA-N 386.477 2.693 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)O 9002236 WSQHFXPEZNXZPQ-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB Cc1cc(N2CCN(C(=O)Cn3c(C)nc4ccccc43)CC2)nc(C(C)C)n1 40049083 AJCCIDRWKVAMLY-UHFFFAOYSA-N 392.507 2.915 0 40 GFAB COC(=O)c1c(CC(=O)N(C)CCOc2ccc(F)cc2)[nH]c(C(C)=O)c1C 40001076 SKDUJPRIRXJEJU-UHFFFAOYSA-N 390.411 2.531 0 40 GFAB C[C@]1(c2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)NC(=O)NC1=O 40118478 QMEPNMUADSYJLN-MRXNPFEDSA-N 379.203 2.695 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1C 40134098 IMEQMVNPDHAWPQ-ZDUSSCGKSA-N 387.871 2.653 0 40 GFAB COc1ccc(NC(=O)N[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20112884 ZQCUFIJYYAMHOE-LJQANCHMSA-N 385.420 2.741 0 40 GFAB biogenic O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1coc(-c2cccs2)n1 10879119 AFNCVALLXSVCSL-UHFFFAOYSA-N 382.401 2.536 0 40 GFAB CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1 36614940 PDKZUALVPDAOFM-UHFFFAOYSA-N 397.407 2.929 0 40 GFAB Cc1c(C(=O)OCC(=O)NC(=O)NC(C)C)oc2ccc(Br)cc12 3533055 VDLFIONNFTXYDY-UHFFFAOYSA-N 397.225 2.895 0 40 GFAB COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc1 4260439 VLOFHMWWJRXJHE-MTQWCTHYSA-N 384.432 2.568 0 40 GFAB biogenic,in-vitro Cc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1Cl 20662134 UJZKFMCHEFKTJO-UHFFFAOYSA-N 386.887 2.912 0 40 GFAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 6951430 QOZUYWJKDGJLIH-LFIBNONCSA-N 395.415 2.625 0 40 GFAB COc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 55750052 URJAOXBRJFVVGW-UHFFFAOYSA-N 392.452 2.895 0 40 GFAB COc1ncccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 32759585 OPUHIVSZFMUFSF-UHFFFAOYSA-N 395.868 2.780 0 40 GFAB CSCC[C@@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)C(=O)O 41155358 JQPJRWKBVKVDFK-CYBMUJFWSA-N 381.429 2.521 0 40 GFAB CCC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10325309 PTOPKWSVTXXUJP-VXGBXAGGSA-N 376.906 2.808 0 40 GFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 2616695 MYSNECXVQLAGMN-JOCHJYFZSA-N 379.460 2.859 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cn3ccccc3=O)cc2)cc1 9640575 VQVPEVZWFDUZJN-UHFFFAOYSA-N 397.456 2.596 0 40 GFAB CC[C@]1(C)NC(=O)N(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)C1=O 22017804 BKNSQFPLTUEDFE-AWEZNQCLSA-N 392.765 2.522 0 40 GFAB COc1ccccc1OCCNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 42230364 JYOBKVPZIMOWQS-AWEZNQCLSA-N 390.871 2.550 0 40 GFAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 801245 UGLFEEKOHLTICU-UHFFFAOYSA-N 394.537 2.935 0 40 GFAB CC(=O)N1CCN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 23386750 FQEUOXMMQPLUQG-GMAHTHKFSA-N 382.504 2.626 0 40 GFAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(O)c1 23741823 ACXOEPZCBXDECU-UHFFFAOYSA-N 381.476 2.714 0 40 GFAB Cc1cn2c(=O)c(S(=O)(=O)N3CCCc4ccccc43)c(C)nc2s1 20922042 ZIGHECXQGNSWQN-UHFFFAOYSA-N 375.475 2.514 0 40 GFAB CC(=O)N1C[C@H](C(=O)OCc2nc(-c3ccc(F)cc3)no2)Oc2ccccc21 25075885 DPPBJNWARQLELZ-QGZVFWFLSA-N 397.362 2.733 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)cc1 3286726 LZALZRCRPQSMJT-UHFFFAOYSA-N 396.428 2.823 0 40 GFAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1cccs1 22069142 LJYIEVCNFPCJLT-CRAIPNDOSA-N 375.450 2.622 0 40 GFAB O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[C@H]1CC(=O)N(C2CC2)C1 56274348 POTUJNMUIPSQJS-SWLSCSKDSA-N 378.856 2.847 0 40 GFAB COc1ccc(C)cc1C1(CNS(=O)(=O)N2CCCC[C@H]2C)CCOCC1 57028403 RDOYYRWUHZEZIR-QGZVFWFLSA-N 396.553 2.761 0 40 GFAB COc1ccc(CNC(=O)COC(=O)/C=C/c2cccc(OC)c2OC)cc1 3229195 MTAGUFFDTOTDRY-FMIVXFBMSA-N 385.416 2.585 0 40 GFAB CC(=O)Oc1ccc(/C=c2/sc3nc(-c4ccccc4C)nn3c2=O)cc1 26533846 VJYROBUPGRDKTH-GZTJUZNOSA-N 377.425 2.599 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccccc1F 12648077 LYYXAKNGGRYGTL-FKIZINRSSA-N 387.386 2.609 0 40 GFAB O=C(COC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 3318528 XKEHVJUDVPGJDO-UHFFFAOYSA-N 378.178 2.973 0 40 GFAB CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 58052049 VADJSJZKHGGLRW-UHFFFAOYSA-N 385.445 2.741 0 40 GFAB COc1cc(CCC(=O)N[C@@H](C)c2c(C)nn(C)c2C)cc(OC)c1OC 58016458 YZDIORYQMWXAED-LBPRGKRZSA-N 375.469 2.873 0 40 GFAB Cn1ncc(-c2nc(C3CC3)no2)c1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 58161626 DVCKZVRCZCFPTE-CQSZACIVSA-N 385.811 2.943 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O)c1ccc(F)cc1 58218829 XRNZHQURTLUKMI-BBATYDOGSA-N 375.425 2.532 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccn1 12758737 YSKCKSCQRGQDRF-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB CC(C)Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CC(C)(C)OC3 2281436 GWDKNVMXEFKMEN-UHFFFAOYSA-N 381.523 2.543 0 40 GFAB Cc1ccc(C(=O)NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2311802 OSBCYUVFIFTORN-UHFFFAOYSA-N 380.473 2.920 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 48324107 LHBJFFORMOETTQ-LJQANCHMSA-N 388.489 2.589 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccccc2Cl)C1=O 3421671 JETLJSVGAJJUHS-SFHVURJKSA-N 389.864 2.931 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)cc1 13096068 YPDHFJMCAABLFN-ZDUSSCGKSA-N 380.441 2.700 0 40 GFAB Cc1nc2sc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)c(C)c2c(=O)[nH]1 13683079 QNBJJYCCJIQPSG-JTQLQIEISA-N 397.456 2.736 0 40 GFAB COc1cccc(CNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 6110273 HNPBUWZXNUJGHV-ZDUSSCGKSA-N 397.500 2.908 0 40 GFAB CCc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 4468578 WGRHNYMEVAMGGU-JOCHJYFZSA-N 377.444 2.971 0 40 GFAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@@H]1CCCN(c2cnccn2)C1 29758826 YNSCCJPNINQGFS-HXUWFJFHSA-N 379.508 2.605 0 40 GFAB O=C(C1CC1)N1CCN(CC2CC2)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306138062 ROAXHXSSZTVNDX-HXUWFJFHSA-N 393.535 2.940 0 40 GFAB CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]21 4649200 MNXBSYVVUROKIR-UWIFEVILSA-N 377.400 2.937 0 40 GFAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1c(O)cc(F)cc1F 66048038 RIVILAYIVUKFPL-UHFFFAOYSA-N 399.191 2.561 0 40 GFAB CC[C@H](C)CNC(=O)c1ccc2ncc(N3CCN(CC4CC4)CC3)nc2c1 306142655 XFPXTOXPHKVTCI-INIZCTEOSA-N 381.524 2.938 0 40 GFAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(N2CCOCC2)cc1 6789109 IOFVDLUSASZYIC-UHFFFAOYSA-N 397.500 2.991 0 40 GFAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3ccccc32)cc1 4829965 SLPIZHQFEBGKRT-UHFFFAOYSA-N 383.473 2.985 0 40 GFAB COc1cccc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 306139382 SVWCZTZYFSVKMK-FCHUYYIVSA-N 388.471 2.973 0 40 GFAB Cc1ccc2c(c1)CCCN2CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 7214641 IRZUUGQAZXKKJQ-LJQANCHMSA-N 390.549 2.706 0 40 GFAB CCN(CC(=O)NC(=O)NC)Cc1ccc(OCc2cccs2)c(OC)c1 7638979 QHMDFZLDJIEQGU-UHFFFAOYSA-N 391.493 2.613 0 40 GFAB O=C(COC(=O)c1ccc(Br)o1)NC(=O)Nc1ccccc1F 7988313 NDJGRRPSGWGODT-UHFFFAOYSA-N 385.145 2.686 0 40 GFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc(Cl)cn1 16330714 OBVZPQLSLBMIML-JTQLQIEISA-N 385.902 2.908 0 40 GFAB CC(C)n1nc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)c2ccccc2c1=O 89893826 COLNGSRRTGUTHZ-OAQYLSRUSA-N 383.423 2.754 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 89919955 MPKBVGFPVAUORT-YCRPNKLZSA-N 380.444 2.654 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 9748094 MCBVXHNLLFNJHK-YUNKPMOVSA-N 399.472 2.867 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H](O)C(F)(F)F 72288844 IHISSILHHJSEJQ-CHWSQXEVSA-N 380.794 2.524 0 40 GFAB O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCN(C3CCCCC3)C2)CC1 72312744 DLQPQVYZRJQLMK-GOSISDBHSA-N 387.499 2.765 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C 72405604 MDXFXIPBPYBACG-ZDUSSCGKSA-N 381.885 2.765 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NC[C@@H](C)CN2CCCCC2)cc1 95446634 XAFJOGWRKYZJSX-QGZVFWFLSA-N 397.523 2.666 0 40 GFAB O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCCC1 30869067 BHVRHIGHARCYCF-LJQANCHMSA-N 378.538 2.674 0 40 GFAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408591772 KJIUBRJJTRHCPD-TZZQWBKVSA-N 382.800 2.503 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@]12C[C@H]1COC2(C)C 528921225 SNISXYSZOQMEFG-IFXJQAMLSA-N 395.525 2.713 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)c(Cl)c3)nc2)CC1 34858965 YHXOZBZTAOTGKT-UHFFFAOYSA-N 385.848 2.603 0 40 GFAB CC(=O)N1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)c2ccccc21 534572273 KIGLKZVYFISOCX-UNMCSNQZSA-N 391.471 2.574 0 40 GFAB CNc1nc([C@@H]2CCCN2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 72345869 MYVCQTGAKRBVLJ-FQEVSTJZSA-N 379.508 2.803 0 40 GFAB Cn1c(C(=O)O[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc2occc21 35315792 BQCNDGHRADOJGQ-DNVCBOLYSA-N 382.416 2.965 0 40 GFAB COc1ccccc1Oc1cncc([C@H]2CCCN2C(=O)c2ccnn2C)n1 72384226 KCVGQSWJHWCUBE-OAHLLOKOSA-N 379.420 2.988 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)O 47949005 WBKBGGWQBMCXAI-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB CC[C@@H](C(=O)NCCOc1cccc(C)c1)N(c1ccccc1)S(C)(=O)=O 224297522 PUHRQHYVVBGPNJ-IBGZPJMESA-N 390.505 2.735 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 222650283 ZPWKJVXGDKGKOV-UHFFFAOYSA-N 384.432 2.753 0 40 GFAB COC(=O)C[C@H](NC(=O)c1sc(C)nc1C)c1ccc(OC)c(OC)c1 40017256 TZCKNMJQDANFON-ZDUSSCGKSA-N 378.450 2.811 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1nc2c(Oc3ccccc3)nccn2c1=O 49008175 QUXGYJGLFYEFFM-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2coc(NC(=O)C3CC3)n2)CC1 77099832 KJROATRHRZSLIM-UHFFFAOYSA-N 388.855 2.947 0 40 GFAB CNC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C 45163622 XWDUMBVQMLOJNW-UHFFFAOYSA-N 376.478 2.643 0 40 GFAB COC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 95080535 YZDUEAVIQFBCSU-UHFFFAOYSA-N 399.394 2.911 0 40 GFAB O=C1CO[C@]2(COCCN(Cc3ccsc3)C2)CN1c1ccc(F)cc1 96051299 CBHVOWKTBCYPQJ-IBGZPJMESA-N 376.453 2.522 0 40 GFAB Cn1cccc(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c1=O 96099869 YRDGLJJLSIRAHF-UHFFFAOYSA-N 386.502 2.533 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3nccs3)C[C@H]1CN(c1ccccn1)C2 96056042 KKORJCXCVNJAOH-JXFKEZNVSA-N 386.521 2.820 0 40 GFAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 257333283 YAYOVGLFMAVKLV-INIZCTEOSA-N 375.450 2.637 0 40 GFAB CS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 612053187 NJTUJJIKAYUDGD-UHFFFAOYSA-N 394.396 2.878 0 40 GFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 622766282 LQWDHMSVWKRLDP-DOTOQJQBSA-N 399.516 2.608 0 40 GFAB COc1ccc2c(c1)CN(C(=O)NCc1nc(COc3ccccc3)n[nH]1)C2 654533862 QWIKRLXWXYYEHR-UHFFFAOYSA-N 379.420 2.618 0 40 GFAB Cc1cc(-c2csc(NC(=O)CN3CCCC[C@H](O)C3=O)n2)c(F)cc1F 644381958 OQGUOUBJMBCKND-HNNXBMFYSA-N 395.431 2.709 0 40 GFAB O=S(=O)(NCCn1ccc(-c2cccs2)n1)c1ccc2c(c1)CCO2 96103890 IDLCHJYOPQSRMV-UHFFFAOYSA-N 375.475 2.525 0 40 GFAB O=C(COC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1)NCC(F)(F)F 64279620 DGOZLBKNMMLHNC-UHFFFAOYSA-N 387.354 2.839 0 40 GFAB Cn1c(=O)c(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21 96191891 OJIFGDYCCLHQGH-UHFFFAOYSA-N 378.215 2.646 0 40 GFAB c1cncc(-c2ccc(N3CCN(c4nc5cnccc5s4)CC3)nn2)c1 1775973451 CKHCULZYJXUCLT-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)s1 11202559 GZXYMFYAXSGNRA-UHFFFAOYSA-N 388.898 2.523 0 40 GFAB Cc1ccc(-c2csc(=O)n2CC(=O)N2CCN(c3ccccn3)CC2)cc1 11464350 RNQFQZOLYLBPTF-UHFFFAOYSA-N 394.500 2.629 0 40 GFAB O=C(N[C@H]1CCCOC1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226239 XUXJVGZUHJLCAQ-ZWKOTPCHSA-N 390.455 2.801 0 40 GFAB CCn1c(=O)n(CCC(=O)Nc2ccc(C(=O)OC)cc2C)c2ccccc21 12788766 ALIGMEJCHZKEBZ-UHFFFAOYSA-N 381.432 2.947 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1ccc3c(c1)CCC3)C2=O 14129350 RPWQVXGZFSPTSC-UHFFFAOYSA-N 387.505 2.799 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 15638344 PPRJQSMZGVYSAD-OAHLLOKOSA-N 384.432 2.865 0 40 GFAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 16091132 KKARCTZOQGXJJN-KRWDZBQOSA-N 375.446 2.992 0 40 GFAB C[C@H](CNC(=O)[C@@](C)(O)c1ccccc1)n1nc(-c2cccs2)ccc1=O 19456403 NSEWJWLULQUARO-VLIAUNLRSA-N 383.473 2.557 0 40 GFAB CCOc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1OC 19533932 RREZKVXKSNYMBL-BHIFYINESA-N 396.531 2.956 0 40 GFAB CN(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 19700507 BILQNYYJHCYGSN-UHFFFAOYSA-N 397.494 2.691 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 12087154 QMCLNBZRWYHXKQ-VGOFRKELSA-N 396.491 2.637 0 40 GFAB Cn1nnc2cc(CNc3ccc(C(=O)N4CCOCC4)c(Cl)c3)ccc21 559998742 ASEBWGDSVQYGNL-UHFFFAOYSA-N 385.855 2.706 0 40 GFAB CCn1c(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 19524337 JJWKADNRFCDOMI-HNNXBMFYSA-N 392.459 2.734 0 40 GFAB NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 3572778 AQUYQWBAGBIHOS-UHFFFAOYSA-N 399.451 2.614 0 40 GFAB O=C(CSc1nc(-c2cccs2)n[nH]1)NC[C@@H]1COc2ccccc2O1 5216289 POFLONLIVORNRC-LLVKDONJSA-N 388.474 2.582 0 40 GFAB COc1cccc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C2)c1 1888876472 WMRYTHVMWIFKHO-IRXDYDNUSA-N 380.492 2.991 0 40 GFAB O=c1c2nnn(-c3ccc(Br)cc3)c2ncn1Cc1ccccc1 5056822 VAUCTLQFIOWZQX-UHFFFAOYSA-N 382.221 2.788 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c(C)c1 5136848 ATILZCKQRPLOPD-UHFFFAOYSA-N 394.518 2.816 0 40 GFAB CCN(Cc1ccccc1)C(=O)CSC1=NS(=O)(=O)c2ccccc2N1 9530225 NZUXGIRBZCETDN-UHFFFAOYSA-N 389.502 2.939 0 40 GFAB O=S(=O)(NCC[C@H](O)c1cccs1)c1ccc(Br)s1 77115119 MZHNZBNWHHHHMN-QMMMGPOBSA-N 382.326 2.974 0 40 GFAB O=C(c1cccc(F)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 21710362 XVDOIJPCWIQRNX-UHFFFAOYSA-N 380.416 2.502 0 40 GFAB O=C(NCC1(N2CCCCC2)CCCCC1)[C@@H]1CCCN(c2cnccn2)C1 40071341 FHLYRQKBARUEOO-LJQANCHMSA-N 385.556 2.998 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)c(Br)s1 30288151 TXTFAHCVCBTBFQ-MRVPVSSYSA-N 382.301 2.718 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)C1CCN(C(=O)c2ccncc2)CC1 30788644 LAARVRDSQWNWLK-UHFFFAOYSA-N 392.459 2.699 0 40 GFAB C[C@@H]1CCCCN1C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O 1330921 JNHOWMNLAVPXHK-CYBMUJFWSA-N 385.855 2.637 0 40 GFAB COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 4740133 ICHCNARBKJBGSA-KKUMJFAQSA-N 379.844 2.547 0 40 GFAB CC1CCC(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 6028161 JLBNNBWDVZSISI-UHFFFAOYSA-N 388.508 2.952 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 6650275 ZAJXIQLBRJUKSB-NTEUORMPSA-N 394.405 2.983 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)nc2n1 6790256 XTQMBSDBWVIHKM-UHFFFAOYSA-N 393.325 2.555 0 40 GFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2)s1 8474508 GACQFYYDDDXTBU-UHFFFAOYSA-N 396.856 2.791 0 40 GFAB COc1cccc(CN2CCc3c(nc4cc(-c5cc(C)on5)nn4c3O)C2)c1 100182358 JLZFMPZKGXWHKN-UHFFFAOYSA-N 391.431 2.965 0 40 GFAB CSc1ccccc1NC(=O)CN(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 32755544 LSCOIEISCNUECE-ZIAGYGMSSA-N 385.555 2.502 0 40 GFAB O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)N1CCC1 32721232 OFJHBTZDRDSNLO-UHFFFAOYSA-N 390.892 2.933 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)ccc3O)C2=O)cc1 100281639 DNPDDUXWIKHLIU-OQLLNIDSSA-N 385.807 2.885 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 7895746 RMLDXANAEQLVGI-UHFFFAOYSA-N 393.505 2.863 0 40 GFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1ccc(C)cc1 7810690 XAXMVBVPXUITTL-UHFFFAOYSA-N 395.459 2.840 0 40 GFAB O=C(CCNS(=O)(=O)c1cccs1)Nc1ccccc1N1CCCC1 22640061 UPVMAXONPZOKSU-UHFFFAOYSA-N 379.507 2.655 0 40 GFAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 805026 SWMSTLMGJPLGEU-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB CSCc1nnc(SCC(=O)NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)o1 104239744 CYVRJBCSGCTHLB-RHYQMDGZSA-N 384.527 2.675 0 40 GFAB O=C(CN1CSCC1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 23055143 VKBKZTAJLNDDOZ-QDAZHVTCSA-N 378.497 2.933 0 40 GFAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104669961 KXJPJZIZSNDIMK-QZWWFDLISA-N 397.475 2.857 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 104673201 PZPJXICRSYQOCH-LTIDMASMSA-N 397.475 2.857 0 40 GFAB Cc1cc(S(=O)(=O)N2CCOCC2)c(Br)cc1Br 54363013 HHHDHKJMNNCVMA-UHFFFAOYSA-N 399.104 2.541 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc(N(C)C)cc2)N2CCOCC2)cc1 23732270 RGDAILACAWBNHB-NRFANRHFSA-N 383.492 2.565 0 40 GFAB CCc1[nH]c(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1C(=O)OC 7973310 LURDKVCZCXFFBS-UHFFFAOYSA-N 398.337 2.885 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)NC)cc1)O[C@H](C)C2 12556965 QLQHDKPDSDPLBD-GFCCVEGCSA-N 390.461 2.569 0 40 GFAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CN1Cc1ccco1 53357560 ACUQKTAINVONBM-KDOFPFPSSA-N 378.432 2.868 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1CCC(NS(=O)(=O)c2cccs2)CC1 26113254 PTRMSBSXRDAKPU-UHFFFAOYSA-N 389.502 2.813 0 40 GFAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1ccc(F)c(F)c1F 3300141 XGJRDONRNUONAG-CQSZACIVSA-N 391.349 2.596 0 40 GFAB Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCO)c2ccccc21 2348830 OFCZJZGGXYDUOL-PDGQHHTCSA-N 397.862 2.711 0 40 GFAB Cc1ccc(C)c(-n2ccnc2S(=O)(=O)CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 48333898 BFJFXNKKVMOZAQ-HZPDHXFCSA-N 389.521 2.767 0 40 GFAB CCSc1nnc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)s1 8189469 HPOQEMLJIXMCSI-UHFFFAOYSA-N 398.554 2.788 0 40 GFAB CC(C)(C)c1noc(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1 12927442 BBBCJJMIRHIATJ-UHFFFAOYSA-N 394.422 2.927 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)cc1 12935479 XTJPZISCRSQZJJ-UHFFFAOYSA-N 395.458 2.667 0 40 GFAB Cc1ccccc1N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 13096435 IUVGWTGURRXASF-UHFFFAOYSA-N 386.521 2.501 0 40 GFAB COc1ccccc1[C@@H]1C(C(=O)NCc2ccccc2)=C(C)Nc2ncnn21 13126964 XHMCLPKNFXIPJY-LJQANCHMSA-N 375.432 2.892 0 40 GFAB CCOC(=O)C1=C(COC(=O)[C@H](C)Sc2ccc(C)cc2)NC(=O)N[C@H]1C 8328907 VASARLGGIYYRCB-STQMWFEESA-N 392.477 2.537 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)NC1CCCCC1)CC2 13629934 CXSLFEPZCIQIPD-UHFFFAOYSA-N 389.496 2.611 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccccc1Cl 13731439 QLSUQKAFVYBYPD-UHFFFAOYSA-N 383.835 2.691 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1ccc(F)cc1F)C2=O 14187399 BQWGVNUVLLECPV-WZEQGRABSA-N 379.407 2.643 0 40 GFAB CCOCCCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 17401232 PKJWCPNFCFVSBT-UHFFFAOYSA-N 376.906 2.527 0 40 GFAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1C1CC1 6993333 ZDUVDOFGTFBDBZ-CYBMUJFWSA-N 387.509 2.877 0 40 GFAB CCN(CC)CCCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7308901 GAXIQECNJBFJQO-UHFFFAOYSA-N 392.503 2.907 0 40 GFAB Cc1cc(C)nc(-n2[nH]c3ncc4c(c3c2=O)C[C@@H](c2ccco2)CC4=O)n1 9576197 KAKYWPQCOSETAU-GFCCVEGCSA-N 375.388 2.626 0 40 GFAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 28208585 BBBNIGHRBULEHY-UHFFFAOYSA-N 396.553 2.725 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)Nc2ccccc2F)cc1 9484610 YJFKWLCIUGWGBN-UHFFFAOYSA-N 376.453 2.865 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(CC)CC(=O)NC(C)(C)C 71796282 FWNWXDBOPVOXTC-MAUKXSAKSA-N 375.513 2.594 0 40 GFAB CN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 20464062 LRDZEJQJPHOURZ-JSGCOSHPSA-N 396.369 2.907 0 40 GFAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1cnn(C)c1 95999266 BWSYJUUPHYBPFP-GOSISDBHSA-N 380.452 2.828 0 40 GFAB C[C@@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C[C@@H](c2ccccc2)O1 78871837 GWQPZBGLNLQFMV-QRWLVFNGSA-N 390.443 2.573 0 40 GFAB CN1CC2(CCN(C(=O)c3ccco3)CC2)c2nn(CC3CCC3)cc2C1=O 306139926 UEFDOLAMVQILJL-UHFFFAOYSA-N 382.464 2.536 0 40 GFAB Cc1nc2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)cc2n1C 527251338 IPWAZLBIVQMOIC-SFHVURJKSA-N 392.459 2.731 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 36844772 SIULUXQSAWLQDP-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 72346521 GOPIUFURVJPNIZ-AYMMHLMVSA-N 384.451 2.513 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCCCC2)c(Cl)c1 38754856 TWCGTCWCHWDVQD-UHFFFAOYSA-N 387.933 2.707 0 40 GFAB CCOCc1nn2c(=O)cc(COC(=O)[C@H](CC)c3ccccc3)nc2s1 41077288 LEIHVMADFWSKNV-OAHLLOKOSA-N 387.461 2.925 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 223131627 WJVUMKJYLVYMTL-INIZCTEOSA-N 382.869 2.920 0 40 GFAB O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)Oc2cc(O)ccc21 225819425 RXJAVPZEIKSGKU-UHFFFAOYSA-N 395.411 2.804 0 40 GFAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220609428 METFMGKITXTBSQ-IBGZPJMESA-N 390.505 2.599 0 40 GFAB COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 48158470 YXBJWOJLOUEMSL-IBGZPJMESA-N 395.459 2.717 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1Cl 224128719 HVQBCGQUQOLINO-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cc3c(cc2O)OCO3)cc1 48250598 SHZDQQJUEGLDSQ-CQSZACIVSA-N 399.403 2.674 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 223637940 KMYMLPDICCDYIW-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB COc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 225166270 VHBVUANVSFTLTF-MRXNPFEDSA-N 397.880 2.973 0 40 GFAB Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398348 SIZBCHOIPXLDSN-UHFFFAOYSA-N 382.855 2.630 0 40 GFAB Cn1ccc([C@H]2NC(=O)N(CC3(c4ccc(C(F)(F)F)cc4)CC3)C2=O)n1 571263032 JDZYEONEPPRANH-CQSZACIVSA-N 378.354 2.764 0 40 GFAB COc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 224406816 ZBMPBWICIZONGN-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 247973662 ICOWWPUUQLPLAF-JPYJTQIMSA-N 397.519 2.824 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230214 NKVDDHHSNMJOSL-PABYOWBDSA-N 392.455 2.767 0 40 GFAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)o1 257222934 DVEXRAPKYJBSPB-QGZVFWFLSA-N 397.475 2.602 0 40 GFAB CO[C@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@]12CCCO2 257215287 CPMCCBSXOJXFFU-DOTOQJQBSA-N 383.286 2.658 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@](O)(c4ccco4)[C@H]3C2)cc1 253384095 NRGCJQTZBXTOPU-XKGZKEIXSA-N 389.473 2.791 0 40 GFAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)ccc1CO 257205556 AZPZNPVRCVLCBZ-OAHLLOKOSA-N 393.447 2.656 0 40 GFAB O=C(Cn1cnc2c1CCNC21CCOCC1)N[C@@H]1CCCC12CCCCC2 1615553755 ZGMHDRYJHMDUOU-GOSISDBHSA-N 386.540 2.654 0 40 GFAB C[C@H]1CN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)C[C@@H](C)C1(F)F 626600208 DKPAEOOBLAEGMK-IUUKEHGRSA-N 394.422 2.838 0 40 GFAB Cc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1[C@@H]1CCNC1 656561000 OAZKFSAFAJWGFU-GFCCVEGCSA-N 375.230 2.600 0 40 GFAB COC(=O)c1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 72339777 WPPDYQOAUZWFMJ-QGZVFWFLSA-N 379.464 2.786 0 40 GFAB COc1cc(I)c(Cl)cc1C(=O)NC[C@H]1CCCO1 40073338 QLOOGUMZZGRRJZ-MRVPVSSYSA-N 395.624 2.862 0 40 GFAB COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 5030313 RZHVKRQFYHQOII-IBGZPJMESA-N 386.404 2.853 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1 5237528 CHSNLAWWDLYBRN-UHFFFAOYSA-N 375.450 2.766 0 40 GFAB COc1cccc(C(=O)OCc2nc(N)nc(Nc3ccc(C)cc3)n2)c1OC 5321149 LNVBCLLIOJXCLQ-UHFFFAOYSA-N 395.419 2.880 0 40 GFAB Cc1[nH]c2c(C(=O)NCCS(=O)(=O)NC3CCCCC3)cccc2c1C 12198734 BVCVDYUKYFRLSF-UHFFFAOYSA-N 377.510 2.767 0 40 GFAB COc1cc2c(cc1O)CCN(Cc1cn(CC(N)=O)c3ccccc13)[C@@H]2C 19498327 AECPPGWFNDDDJC-CQSZACIVSA-N 379.460 2.960 0 40 GFAB CCCn1cc(S(=O)(=O)NCC2(c3cccc(C)c3)CCOCC2)c(C)n1 19526060 VWODECHSFBWROM-UHFFFAOYSA-N 391.537 2.937 0 40 GFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CCN1CCCC1 19577604 BTPVVGWESJLHBQ-OAHLLOKOSA-N 390.500 2.924 0 40 GFAB CC(C)(CNC(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O)c1cccc(F)c1 19717256 FLONYLCGBVNITE-QGZVFWFLSA-N 383.423 2.735 0 40 GFAB Cc1nc([C@H]2CCCCN2CC(=O)N2CCCC2)ncc1C(=O)N1CCCCC1 19766316 SOAWLPPGQWCHCT-LJQANCHMSA-N 399.539 2.561 0 40 GFAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1O2 12275025 CGFWOONUYCWFTO-JTSKRJEESA-N 394.475 2.810 0 40 GFAB COc1cccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)C(=O)O2)c1 3569363 FIXIEPHVMYETIJ-MFOYZWKCSA-N 395.367 2.890 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2F)CC1 30704399 QQAVBWPTAKTMMK-HNNXBMFYSA-N 385.439 2.619 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037840831 STMKOPYNJAJXRT-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB Cc1nc(CN2CC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCC3(F)F)cs1 1565555704 OFRWZJAUFLUBEW-YOEHRIQHSA-N 385.480 2.548 0 40 GFAB O=C(Cc1ccccc1)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 12443239 RSBMUIQHOFKYIT-UHFFFAOYSA-N 391.406 2.668 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)c1 20489096 QOZYUFABJUXARR-UHFFFAOYSA-N 385.370 2.533 0 40 GFAB O=C(Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1)NCC(F)(F)F 44035561 UYRCGOMGYKJWDJ-MRXNPFEDSA-N 394.349 2.686 0 40 GFAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C(=O)Nc1ccccc1Cl 239808042 KEXHYRBPYXCEMB-SFHVURJKSA-N 390.848 2.985 0 40 GFAB COc1cc(C(=O)N2CCC[C@H]2c2ccncc2)cc(Cl)c1OCC(N)=O 40043106 KWEPOYHHCLWWMG-HNNXBMFYSA-N 389.839 2.585 0 40 GFAB CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)Cc1nc(C(C)C)no1 40121908 SWCQSQZASKGQFV-MRXNPFEDSA-N 379.482 2.718 0 40 GFAB Oc1nc2ccc(I)c3c2n1[C@H](c1ccccn1)CO3 1857793667 ZRBKXNRTHMJBFY-NSHDSACASA-N 379.157 2.723 0 40 GFAB CCn1ncc(Cl)c1CNC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619307 VMJVMFRLINROPW-UHFFFAOYSA-N 399.842 2.732 0 40 GFAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccccc1Br 3293200 PZDACKAGDLVYRN-UHFFFAOYSA-N 388.221 2.981 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 4965616 GFCLXCIEBBNIED-MRXNPFEDSA-N 387.480 2.786 0 40 GFAB Cc1ccc(COC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1 6852334 NBNJMCXGYNELJJ-KRWDZBQOSA-N 398.484 2.899 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3CC)c(=O)c2c1C 6916100 OTJOBQRKPBJWLJ-CYBMUJFWSA-N 391.493 2.734 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 7871806 FTAGCAJXLQSWQD-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1N1CCOCC1 7872750 UVQKKIGTJCLYEZ-HNNXBMFYSA-N 389.525 2.871 0 40 GFAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 11622359 AZQLQQLPDYJKIM-SOUVJXGZSA-N 389.525 2.715 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCCOc2ccccc2C)c1 60132987 PMOVMUWVTDUHBU-UHFFFAOYSA-N 378.494 2.656 0 40 GFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCCOc1ccc(Cl)cc1 32933519 RLQKXRCRICXVCS-UHFFFAOYSA-N 398.850 2.531 0 40 GFAB COC(=O)c1cnc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)s1 21865377 GMPGXRQOIZKBBY-UHFFFAOYSA-N 381.797 2.520 0 40 GFAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 8324728 ZNWKDUHMJTVWSF-AWEZNQCLSA-N 386.477 2.537 0 40 GFAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCc1cccnc1 17168947 PWQNCEOVTVATPB-UHFFFAOYSA-N 382.470 2.898 0 40 GFAB COc1ccc(NC(=O)C[C@@]2(NC(C)=O)C(=O)N(C(C)C)c3ccccc32)cc1 9183870 PGHJYRBJSAUOOD-QFIPXVFZSA-N 395.459 2.810 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1 57331974 CNEUQRJTTBQVKD-UHFFFAOYSA-N 375.856 2.902 0 40 GFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O 981286 KMXYCFJFTPKVEW-XVBMGZJVSA-N 393.417 2.802 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 43084034 PZFCODLGOMLULL-FGSXEWAUSA-N 395.503 2.542 0 40 GFAB COc1ccc2c(c1)cc(C(=O)NCCC(=O)Nc1ccc3c(c1)OCO3)n2C 12324420 QMEMQISAHDHYDH-UHFFFAOYSA-N 395.415 2.674 0 40 GFAB C[C@@H](Oc1cccc(F)c1)C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 24862606 DSCZHFBKSNPHTA-QAPCUYQASA-N 391.464 2.809 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1 24986055 MKDURPPZCDICKN-HXUWFJFHSA-N 379.504 2.986 0 40 GFAB CCOc1ccccc1N1C(=O)C[C@@H](Sc2nnc3nc(C)cc(C)n23)C1=O 20799425 FZSYXJVQAWSIHZ-OAHLLOKOSA-N 397.460 2.564 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491732 VULRQRDMPCQLBL-LLVKDONJSA-N 391.880 2.782 0 40 GFAB CCc1cc(=O)n(CC(=O)NCCc2ccc(OC)cc2)c(-c2ccccc2)n1 57527406 XEUQPSTYACKXTA-UHFFFAOYSA-N 391.471 2.840 0 40 GFAB c1ccc(CN2CNC3=N[C@@H](c4cccnc4)n4c(nc5ccccc54)N3C2)nc1 20638678 AMEQAHBPOVHWRM-HXUWFJFHSA-N 396.458 2.570 0 40 GFAB COc1cc(CN[C@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O 27400526 AYFMIHCKEHNRBY-HNNXBMFYSA-N 376.840 2.826 0 40 GFAB O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 58179954 GZXSDGHWXSCELC-NRFANRHFSA-N 379.504 2.662 0 40 GFAB O=C1N[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 170620738 BPVKQRQJQSDSDR-XEZPLFJOSA-N 399.756 2.839 0 40 GFAB CCN(CC)[C@H](CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)c1ccco1 58279111 XQLPFTNSZBQEDK-QAPCUYQASA-N 375.469 2.826 0 40 GFAB COc1ccccc1N1CC[C@@H](CNC(=O)COc2ccc(F)cc2F)C1 58214473 QIUMZBVNKOPKLN-AWEZNQCLSA-N 376.403 2.995 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2cccc(F)c2)cc1 10638961 GWMPLCKFGKNVLE-UHFFFAOYSA-N 378.469 2.512 0 40 GFAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)NC[C@H]1CCCO1 12779531 VVDIOEOQXRNYEV-KUHUBIRLSA-N 394.427 2.836 0 40 GFAB CN(Cc1ccccc1F)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 12795507 FNRHUHTXECMFNT-UHFFFAOYSA-N 399.466 2.840 0 40 GFAB CN(CC(=O)NCCSCc1ccco1)S(=O)(=O)/C=C/c1ccccc1 8944637 LNHHEAXNHCVXIW-UKTHLTGXSA-N 394.518 2.562 0 40 GFAB Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1ccccc1F 3445610 PISLYQWVMNPRNJ-UHFFFAOYSA-N 375.473 2.897 0 40 GFAB C[C@H]1C[C@@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12923904 XLDVVXOGGKCREO-JXFKEZNVSA-N 388.471 2.928 0 40 GFAB O=C(OCC(=O)N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 3525767 ZBXVEVXIBMEGEU-UHFFFAOYSA-N 391.427 2.555 0 40 GFAB O=C(OCC(=O)N1CCCC1=O)c1cc(-c2cccs2)nn1-c1ccccc1 3518058 DTIMYQCPCMNIDY-UHFFFAOYSA-N 395.440 2.907 0 40 GFAB CC(=O)CCc1ccc(OC[C@H](O)CNCC2(N(C)C)CCCCC2)cc1 39779537 UHJVAKKJNDNZMR-HXUWFJFHSA-N 376.541 2.802 0 40 GFAB CCOc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 4351475 KEJDDZRPUGYDMO-UHFFFAOYSA-N 381.384 2.778 0 40 GFAB COC(=O)c1c(CC(=O)Nc2ccc(N3CCCC3=O)cc2)[nH]c(C(C)=O)c1C 39984992 DXMYJHJXQLEDDI-UHFFFAOYSA-N 397.431 2.620 0 40 GFAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1ccc(F)cc1 13997639 BLXYRGVJUFTONZ-UHFFFAOYSA-N 390.480 2.957 0 40 GFAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nnc2-c2ccccc2)cc1 5735578 KKIYBMFCZKHWQR-ZDUSSCGKSA-N 381.461 2.918 0 40 GFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cccc(F)c1 67287247 GRGIYVVUWAQOFW-SFHVURJKSA-N 375.444 2.873 0 40 GFAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1S[C@@H]1CCCc2ccccc21 89741357 JEUCMQGSCOUUDA-CZUORRHYSA-N 377.535 2.962 0 40 GFAB COc1ccc2nnc(CCCC(=O)N3CCc4c([nH]c5ccccc45)C3)n2n1 96221021 VIFSWKROEADNBH-UHFFFAOYSA-N 390.447 2.522 0 40 GFAB biogenic CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CC1 72054922 LLUOVPRTWRZFLL-CYBMUJFWSA-N 395.333 2.678 0 40 GFAB Cn1c(CCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)nc2cc(Cl)ccc21 72277588 CBSQEWMBHHHJNH-QGZVFWFLSA-N 383.835 2.667 0 40 GFAB O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N[C@H]1CCc2c(Cl)cccc21 84374339 MSGRPJNWUQSRKW-IBGZPJMESA-N 399.878 2.919 0 40 GFAB CCC[C@@H](CC(=O)OC)NC(=O)[C@H](NC(=O)c1ccc(OCC)cc1)C(C)C 95459298 WJGYDUZFPKODNO-QFBILLFUSA-N 392.496 2.688 0 40 GFAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1 95475230 BYXHYKGRMMATDC-INIZCTEOSA-N 375.450 2.961 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2n[nH]c3c2CCc2ccccc2-3)n1 95474788 TYHXXGOEQLHHCQ-UHFFFAOYSA-N 382.445 2.990 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 95998411 DDAIZUCYMXEGLC-LJQANCHMSA-N 379.464 2.745 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 408559515 VRVJTMAZXYEXTB-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC[C@H](C(N)=O)C3)c2n1 24502362 YVKJTKCMHXSWHH-NSHDSACASA-N 396.274 2.953 0 40 GFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O 408625286 RTLAOIFBHMKEHU-UHFFFAOYSA-N 389.477 2.839 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)c1 38772102 ZWUCYTSUTIRUCV-ZDUSSCGKSA-N 375.421 2.805 0 40 GFAB O=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1 56997625 MPNYLAOAZHHFRI-UHFFFAOYSA-N 385.942 2.502 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@@H](C)O[C@H](C)C1 36022445 JYQRAOVQVWWAHK-XJKCOSOUSA-N 384.929 2.827 0 40 GFAB O=C(NCc1ccccc1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 77266259 KPXHDQNXEZKAJJ-LJQANCHMSA-N 382.439 2.657 0 40 GFAB biogenic,in-vitro CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC(C)C 217520811 OGCRCARLAGFQAK-UHFFFAOYSA-N 386.514 2.936 0 40 GFAB Cc1nn2c(nnc3c(=O)n([C@@H](C)C(=O)O)ccc32)c1-c1ccc(Cl)cc1 40395999 KKINTPLSJSTQKX-JTQLQIEISA-N 383.795 2.714 0 40 GFAB CCCC(=O)Nc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)ccc1C 41089606 HFTGIRJWWFHSCS-UHFFFAOYSA-N 383.404 3.000 0 40 GFAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCCc2ccccc21 40133921 XHWSACMUPPWCHL-UHFFFAOYSA-N 387.505 2.793 0 40 GFAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1 47219398 YHMHSPDHUUGKOF-NSHDSACASA-N 387.288 2.977 0 40 GFAB O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1cccc(F)c1 41089836 JYDZQCHAGJDCDB-UHFFFAOYSA-N 380.404 2.887 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCc3cc(OC)ccc32)c1 224470455 HVKYGGROWWEVON-SFHVURJKSA-N 375.446 2.838 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(F)c2)s1)c1ccccc1 224825489 ARLFNDCBTJFZIR-UHFFFAOYSA-N 378.410 2.730 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1C 226044812 XPHMKPQBLITNPZ-HNNXBMFYSA-N 388.489 2.602 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 223865207 LLMPNYHEIZSECQ-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1 225627021 KKMRSLYJVXSJQP-UHFFFAOYSA-N 391.431 2.513 0 40 GFAB C[C@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 223703634 PELJHPOHBDKCCI-CQSZACIVSA-N 396.896 2.690 0 40 GFAB CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1C[C@H](O)C=C2CO 196661591 XXSSNTKMBVTREV-PIAXUNGASA-N 392.492 2.535 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 95473428 PCGIFIUYJFJYKO-AWEZNQCLSA-N 392.415 2.731 0 40 GFAB CCOC(=O)[C@@H]1C[C@]2(C)[C@@H](O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 248114354 ZJRZYKZLCWIHRO-JPLJXNOCSA-N 395.521 2.631 0 40 GFAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)cn1 257259658 KZJPPHPUWUYKIB-QGZVFWFLSA-N 397.523 2.871 0 40 GFAB O=C(O)[C@@H](c1ccccc1F)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 656763301 MFVCAEGTEXKLFU-CRAIPNDOSA-N 392.452 2.858 0 40 GFAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@H]([C@@H]4CCCCO4)C3)nn2)cc1 660873550 VENSUAGCJIOCJA-JXFKEZNVSA-N 399.495 2.767 0 40 GFAB CO[C@@](C)(CO)CNC(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1 667600394 UXELHQRCHXPODS-CQSZACIVSA-N 390.387 2.743 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCN(CCc2ccncc2)CC1 604418899 NLLGFGVBEFKKLX-UHFFFAOYSA-N 382.464 2.635 0 40 GFAB O=C(O)[C@H]1CN(C(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)CCO1 669504071 UYNLZNMQVWPQSI-HUUCEWRRSA-N 382.338 2.938 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 585107288 JPBMLYCKKYUBGV-LPHOPBHVSA-N 380.410 2.865 0 40 GFAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 55107699 DSJNYVZXSBQFOD-ZDUSSCGKSA-N 392.443 2.567 0 40 GFAB Nn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C(F)(F)F 5470050 GBLDQOKCPOEWEM-GFCCVEGCSA-N 385.415 2.857 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc[nH]1)c1ccccc1 5990051 AFIQBTRSLFIRHD-LJQANCHMSA-N 376.412 2.782 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(C#N)c1 11216931 DOYKRLOFMYGBSE-GOSISDBHSA-N 378.457 2.998 0 40 GFAB O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1Br 11902851 CCMQRMDADNGZCF-UHFFFAOYSA-N 380.267 2.752 0 40 GFAB COc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1OC 12327778 SZFZTOQXZOGUSL-SFHVURJKSA-N 375.440 2.860 0 40 GFAB NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1 13761818 ICRSYPPLGADZKA-UHFFFAOYSA-N 397.378 2.698 0 40 GFAB endogenous,world Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCOCC3)cc2)c1 15420829 BAQJHGNNQMFWPO-UHFFFAOYSA-N 375.446 2.544 0 40 GFAB COC(=O)c1cc(NC(=O)CSc2ccc(OC)cc2)cc(C(=O)OC)c1 15519657 KEZGIMWJDSTGSA-UHFFFAOYSA-N 389.429 2.999 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)cc1OC 16187745 JRVNTZBXMDZJEB-UHFFFAOYSA-N 398.525 2.553 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ccccc1 17356172 UOQRASMEHVQVSR-LBPRGKRZSA-N 386.395 2.689 0 40 GFAB Cc1ccnn1C[C@H](C)c1cc(O)n2ncc(C(=O)Nc3ccccc3)c2n1 19238373 BVLLDMPRUZHTJB-ZDUSSCGKSA-N 376.420 2.996 0 40 GFAB CCn1nc([C@@H](C)C(=O)Nc2nc3c(s2)CN(C)CC3)c2ccccc2c1=O 19660566 HSNMZXVWSZNNBG-GFCCVEGCSA-N 397.504 2.603 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 19689639 ACQYTYNSPIYBSG-QGZVFWFLSA-N 390.509 2.705 0 40 GFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)ccc1O 8112396 WZYHWUFVVHRNCB-WJDWOHSUSA-N 390.461 2.840 0 40 GFAB CC1CCC(NC(=O)CN2CC3(CCOCC3)Oc3ccccc3C2=O)CC1 12087070 IGGBCXSXMPWMQR-UHFFFAOYSA-N 386.492 2.765 0 40 GFAB Cc1cccc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)n1 2037984751 MLHOQIOVRGHQKI-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB CN(C)c1ncc(-c2ccsc2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 2037849789 KGKAIDFCQUBNIM-OAHLLOKOSA-N 396.520 2.874 0 40 GFAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)c4ncc(F)cc4F)C3)C2)n1 2056223760 DTGHYVGJJOXXEX-HXUWFJFHSA-N 387.434 2.981 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccccc1Cl 4165744 NJHOHTQSTMMKEX-UHFFFAOYSA-N 393.834 2.552 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 4373699 FYUIMZDASMWZHX-CQSZACIVSA-N 383.404 2.741 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(OC)cc3)cc21 17316215 KCNRQUXGMOVVNA-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB O=C(Cc1ccccc1F)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974261 OMNKOKGOFYTOSD-UHFFFAOYSA-N 381.382 2.815 0 40 GFAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1cccc(C(F)(F)F)c1 2086896738 YSXANXSTMUMCHB-KGLIPLIRSA-N 391.393 2.925 0 40 GFAB Cc1nc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c2ccncc2n1 2298048272 AIFLGGHASPFMGM-CQSZACIVSA-N 375.423 2.807 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H]1CN(CC(C)C)CCO1 30937114 GQNNRKWULNKKFN-FQEVSTJZSA-N 384.524 2.635 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2F)C1 28915055 UVSMBHPDWBEMHD-IFXJQAMLSA-N 388.464 2.886 0 40 GFAB Cc1ccc(CNC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 11558033 XKCORTQKIXYXTM-UHFFFAOYSA-N 377.370 2.927 0 40 GFAB COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 31815454 ZQDOPHSQMVGLDS-HNNXBMFYSA-N 377.404 2.784 0 40 GFAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2ncnc3c2cnn3-c2ccccc2)C1 4411255 QWYGLTNELAHRCK-CVEARBPZSA-N 384.443 2.601 0 40 GFAB Cn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCCC3 2635157 DPMIKANJDVHFNE-UHFFFAOYSA-N 389.502 2.875 0 40 GFAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)s1 21331487 GRKXWHAFUKAFGH-CYBMUJFWSA-N 389.477 2.677 0 40 GFAB CC(C)(C(=O)N1CCN(Cn2c(=O)oc3ccccc32)CC1)c1ccccc1 32770246 XJGQWNJHVUGVMF-UHFFFAOYSA-N 379.460 2.674 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc3cccnc23)cc1 8036994 JTYZEKCKEAJLEZ-CYBMUJFWSA-N 397.456 2.743 0 40 GFAB COc1ccc(OC)c(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c1 8215718 UGVOCOSFWOPERG-GOSISDBHSA-N 393.443 2.649 0 40 GFAB COC(=O)c1cc(CNC(=O)Cc2ccc(OC(F)F)cc2)ccc1OC 32739220 ZWFIONAJRCAQEF-UHFFFAOYSA-N 379.359 2.942 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1ccc(-n2cccn2)cc1 21472006 PGCIADQABJRWSD-OAHLLOKOSA-N 379.416 2.915 0 40 GFAB O=C(OCC(=O)c1ccc(Br)s1)c1cccc(-n2cnnn2)c1 9745556 XBIHPOBSTZHOCY-UHFFFAOYSA-N 393.222 2.526 0 40 GFAB Cc1nn(CCCNC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1Cl 2809163 OGLLOZDABLHUNZ-UHFFFAOYSA-N 383.901 2.524 0 40 GFAB COc1ccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1OC 1025185 PHTJHVJRXSLIDT-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 57013839 JOEACDMNEZWAOT-UHFFFAOYSA-N 388.489 2.788 0 40 GFAB Cc1ccc(-n2c(-c3ccco3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C 12462281 CZLYVPQFQGUHTO-UHFFFAOYSA-N 389.415 2.552 0 40 GFAB O=C1C(=O)N(CN2CCC[C@@H]2c2cccs2)C(=O)N1CCc1cccs1 23844137 JUEKOXJIFZNSKC-CQSZACIVSA-N 389.502 2.938 0 40 GFAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCCC2=O)cc1 23995749 ZSHAKCNUGPXPAP-UHFFFAOYSA-N 393.487 2.894 0 40 GFAB CC(C)c1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCOCC3)CC2)cc1 25052997 GKYUKWLYYDPOOI-QGZVFWFLSA-N 387.524 2.708 0 40 GFAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 25294407 SKEPAKGFPJGMTA-HNNXBMFYSA-N 379.420 2.804 0 40 GFAB CCN(CC)CCNC(=O)[C@@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100180110 SBJVCDHWJCQQIQ-ATTMEURXSA-N 399.535 2.789 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCOCC1 12562699 FPXYKMVLNQXSHR-QGZVFWFLSA-N 383.492 2.991 0 40 GFAB CCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc(OC)ccc21 22236087 OGLUWAFWNWGVHM-UHFFFAOYSA-N 396.443 2.977 0 40 GFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 57173398 ZBFMLIVMUMZNGP-CXAGYDPISA-N 376.453 2.731 0 40 GFAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 57318547 YDYXVCGLRIZPBF-IXDOHACOSA-N 379.932 2.795 0 40 GFAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NC1CCCC1 57487087 SLZXUCJUGOJDGJ-UHFFFAOYSA-N 380.404 2.993 0 40 GFAB CC(=O)Nc1nc(Cn2nnc(-c3ccc(Br)cc3)n2)cs1 58047782 BRFGHNUVVCUROE-UHFFFAOYSA-N 379.243 2.566 0 40 GFAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C(=O)O)cc1 2387646 JGINWPWOGOPNMP-UHFFFAOYSA-N 381.392 2.898 0 40 GFAB C[C@@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc2c(c1)OCCO2 48278641 WEUZNGDBXIJKHN-LLVKDONJSA-N 382.338 2.516 0 40 GFAB Cc1ccc([C@@H](CNC(=O)CCc2c(C)noc2Cl)N2CCOCC2)o1 48303519 HTSYOJHYUKNHIR-OAHLLOKOSA-N 381.860 2.660 0 40 GFAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 7805707 OKADYOPQASOGSS-UHFFFAOYSA-N 377.293 2.626 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 12867386 KTTZVIKVOMJUGE-UHFFFAOYSA-N 392.459 2.744 0 40 GFAB COc1cc2ccccc2cc1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 12806464 NKEKBKSJWKVYAV-UHFFFAOYSA-N 390.505 2.830 0 40 GFAB CCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 3473388 SIQOLHRBWPVIPE-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1 12924789 DSXFWZNSCGHNRQ-UHFFFAOYSA-N 393.428 2.746 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)COCc2nc3ccccc3s2)c1 12979403 ITIIDVXPMJVPLX-UHFFFAOYSA-N 380.433 2.642 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2c(=O)oc3ccccc32)CC1 8185877 RLGPVXKAOBMTPY-UHFFFAOYSA-N 395.415 2.631 0 40 GFAB CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2ccoc2C)CC1 64090842 FKRRYVPWFLXUCT-UHFFFAOYSA-N 376.478 2.780 0 40 GFAB COc1cccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)c1 5274569 PZSPJUCRSISKDJ-FQEVSTJZSA-N 377.444 2.949 0 40 GFAB CCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 5555436 ALYJTVJAUVEFGI-UHFFFAOYSA-N 375.446 2.589 0 40 GFAB O=C(COC(=O)c1cncc(Br)c1)NCc1cccc(Cl)c1 6916279 PKJNOPOSGXXWPG-UHFFFAOYSA-N 383.629 2.971 0 40 GFAB CC(=O)N[C@H](CC(=O)OCc1cc(=O)n2ccc(C)cc2n1)c1ccc(C)cc1 18363679 WTDNOPSWVYHQAQ-LJQANCHMSA-N 393.443 2.622 0 40 GFAB O=C(C[C@]1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1cccnc1 9547337 NULYHLIHIVVKOI-HSZRJFAPSA-N 388.423 2.968 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Cc1ccccc1 9502057 AZSNOUQPNUFKPY-MRXNPFEDSA-N 396.459 2.586 0 40 GFAB O=C(c1cc(Cc2ccccc2)ccc1O)N1CCN(Cc2ccon2)CC1 72304327 WANFFBWKFDUSDI-UHFFFAOYSA-N 377.444 2.929 0 40 GFAB Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(Br)o1)CCO2 72333861 KPOGNPLXRMKKLT-UHFFFAOYSA-N 380.194 2.933 0 40 GFAB CCNC(=O)CN(CC)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 72307118 WJNWGRFUVMEPAZ-QGZVFWFLSA-N 396.329 2.571 0 40 GFAB O=C(Nc1ccnc2ccnn12)c1cccc(CS(=O)(=O)c2ccccc2)c1 84558658 XFITYCRPTYIKES-UHFFFAOYSA-N 392.440 2.956 0 40 GFAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N(CC(F)(F)F)C1CC1 95369545 UEUKIKGSBVNPPA-SFHVURJKSA-N 395.381 2.539 0 40 GFAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCC1(CO)CCCCC1)CC2 95966770 HRJIMWDWPMURAD-ZDUSSCGKSA-N 385.430 2.968 0 40 GFAB O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 306130679 JMUIZXGACZHUMB-UHFFFAOYSA-N 385.537 2.708 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 67287075 DAYVHQQMQQFNFT-LJQANCHMSA-N 387.480 2.598 0 40 GFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCNc1ccccc1 524729706 FREDAJVMKUTJLE-KPLVRAHFSA-N 379.460 2.715 0 40 GFAB biogenic Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(CC(N)=O)CC3)c12 72336002 ANWCDAPDOPGBHM-UHFFFAOYSA-N 385.512 2.882 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)o2)cc1OC 30420380 JEJIBZYPHZCENC-UHFFFAOYSA-N 390.255 2.880 0 40 GFAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl 39985444 QUQJOMHDMRFNOX-UHFFFAOYSA-N 397.324 2.547 0 40 GFAB O=C(c1cc(-c2cccs2)on1)N1CCc2nc3ccccn3c(=O)c2C1 225777717 WELVHCJKGOYQRF-UHFFFAOYSA-N 378.413 2.610 0 40 GFAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCN(C)C)c1 224122319 KGANQWONKGHRCU-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC)cc1 223163768 QHXIUBRDEWZLOW-GOSISDBHSA-N 392.477 2.887 0 40 GFAB COc1ccc(C(=O)NC(C)C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224776304 SDVFIZVWKGOVGF-UHFFFAOYSA-N 390.505 2.963 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44842230 HORRVQGVGSLVIS-QGZVFWFLSA-N 394.880 2.526 0 40 GFAB COc1cccc(-c2noc(CNS(=O)(=O)Cc3ccc(F)cc3)n2)c1 41153708 QAPUSLAISRIUDB-UHFFFAOYSA-N 377.397 2.504 0 40 GFAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C)c1 224903861 NNJNRGYERODMIM-UHFFFAOYSA-N 390.461 2.955 0 40 GFAB COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cc(C)nn1C1CCOCC1 529451145 HGOFEEDIWPYNPS-KRWDZBQOSA-N 393.871 2.668 0 40 GFAB CC(C)n1cnc2c1[C@@H](C(=O)N1CCC(N3CCCC3)CC1)N(CC1CC1)CC2 96265042 GYYQGROWOZODQD-QFIPXVFZSA-N 399.583 2.860 0 40 GFAB COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc1 95474498 CHTQVGLTMXAYAU-UHFFFAOYSA-N 375.388 2.585 0 40 GFAB CC(=O)Nc1ccc(OC(=O)CNC(=O)c2cccc(Br)c2)cc1 96997653 DMYSFKDEFNYQDX-UHFFFAOYSA-N 391.221 2.743 0 40 GFAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 243200879 KEYMFTUHGAFSKK-GFCCVEGCSA-N 388.917 2.664 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)COc3cccnc3)C2)ncn1 257216711 CVTTVOYXPSOGPX-MRXNPFEDSA-N 393.447 2.613 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)c2ccn(C)n2)n1 257277541 NYIJSCBCZYLMLB-INIZCTEOSA-N 380.452 2.719 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253472004 HTDRLPREUKABHI-NSHDSACASA-N 380.451 2.581 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 257219111 DFPMSQAPMWWISW-VQIMIIECSA-N 391.468 2.768 0 40 GFAB O=C(N[C@H](C[C@@H]1CCCOC1)C(=O)O)c1ccc(COc2ccc(F)cc2)o1 630282144 VRVXTYXMZINXAV-SUMWQHHRSA-N 391.395 2.997 0 40 GFAB C[C@@H](c1nc(C2(S(C)(=O)=O)CCCC2)no1)n1ccc(C(F)(F)F)n1 632151366 GLWDHOGQTZGVHN-VIFPVBQESA-N 378.376 2.708 0 40 GFAB CCOc1ccccc1CCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1 96378380 LUKCVXGGJFLEEC-UHFFFAOYSA-N 379.522 2.976 0 40 GFAB CCN(CC)C(=O)[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 585102013 XXIYHRQGRCHKTR-OAQYLSRUSA-N 396.535 2.969 0 40 GFAB Cc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1O 585111109 DWOMWWNSKZOTJY-HXUWFJFHSA-N 377.444 2.989 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)nc1 1615153596 DSEWLXXESRWBLJ-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C1NC2=C(C(=O)N(CCN3CCCC3)C2)[C@H](c2ccc(Cl)c(Cl)c2)N1 12113457 WUKRXURGTHMNNU-INIZCTEOSA-N 395.290 2.539 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]3c3cccc(F)c3)ccc21 15671078 YRBKXCRKORFTGH-HNNXBMFYSA-N 376.409 2.796 0 40 GFAB O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(C2CCOCC2)C1 15675128 NGMSIDLIVISTIL-ZBFHGGJFSA-N 381.835 2.740 0 40 GFAB biogenic,in-vitro COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2cc(C(C)C)no2)C1 19452836 SSDZWZRUKIMJER-NRFANRHFSA-N 383.448 2.768 0 40 GFAB CCn1cc(CN2CCN(C(=O)CCn3cnc4cc(C)c(C)cc43)CC2)cn1 19524961 ABLNAUYMJSJFGX-UHFFFAOYSA-N 394.523 2.604 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C(F)(F)F)cc2)n1 24766621 MISYDKDIEFSQGW-UHFFFAOYSA-N 379.747 2.805 0 40 GFAB COc1c(C)cccc1CN1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984052 OLTHPYHYQGTFME-HSZRJFAPSA-N 396.487 2.638 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CCc2onc(COc3cccnc3)c2C1 1260065797 XSZGVBFPVRYSPE-UHFFFAOYSA-N 391.474 2.766 0 40 GFAB O=S(=O)(NCCc1cn2ccccc2n1)c1ccc(Br)cc1 2961106 GPORHMSRCAWYPY-UHFFFAOYSA-N 380.267 2.618 0 40 GFAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(OC)c2)cc1 5016163 MMYLQVZHZPBFTE-UHFFFAOYSA-N 385.449 2.800 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2cccc3ccccc23)c2cccn2C)CC1 21153078 ZURGLPXAWHIJCU-QFIPXVFZSA-N 376.504 2.897 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](OCCO)c1cccs1 575621775 UGWCGRVPXFZNAZ-CYBMUJFWSA-N 375.899 2.738 0 40 GFAB O=C(NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccco1 40051119 XQQGKKMYDZGSRD-UHFFFAOYSA-N 396.422 2.643 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2cc[nH]n2)cc1 40120093 UDZXXPAWMSRKPL-UHFFFAOYSA-N 391.497 2.685 0 40 GFAB C[C@@]1(c2cccc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)c2)NC(=O)NC1=O 40118491 MFOWPIJRORRLFB-FQEVSTJZSA-N 397.818 2.809 0 40 GFAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccccc2C)cc1 625497 MPWLREVTTFWSEY-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc(Cl)c1 1985909 MIHPALSJLAKJNQ-HNNXBMFYSA-N 386.835 2.870 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2oc1=O 2137362 DRRKROHDVNVZLV-SFHVURJKSA-N 395.411 2.601 0 40 GFAB biogenic CCN(CC)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 3502694 GHEPNFNRGAVDEJ-UHFFFAOYSA-N 388.518 2.799 0 40 GFAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(c3ccccc3F)CC2)C1=O 3570808 JUNWWAYYCNUVMY-IBGZPJMESA-N 381.451 2.897 0 40 GFAB C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(N)=O 4365701 OMKNLAIATLYUTD-GFCCVEGCSA-N 382.445 2.688 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)N(C)C3CCCCC3)CC2=O)cc1OC 4374553 SSWOKDSCWRYEGC-AWEZNQCLSA-N 375.469 2.783 0 40 GFAB CCc1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)c1 4855141 NTILSDDMHWAHQA-UHFFFAOYSA-N 383.477 2.961 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c1 6507356 XOFZUMKTWAGWFJ-UHFFFAOYSA-N 393.553 2.513 0 40 GFAB CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 6586221 PUJUNCANAAXUDK-OCCSQVGLSA-N 388.497 2.639 0 40 GFAB COc1ccc(-n2c(C)cn3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)cc1 8657290 KBPOAFRWIMTYBB-UHFFFAOYSA-N 395.463 2.502 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2C)cc1 8729441 KGRUDLKCHBGOIG-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1 8889570 CMCZKYKFAZTMEP-QFIPXVFZSA-N 395.459 2.904 0 40 GFAB COc1ccc2[nH]c(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)nc2c1 9156732 JGUKEVZEORHZJP-UHFFFAOYSA-N 391.474 2.918 0 40 GFAB COc1cc(OC)cc(C(=O)NCCC(=O)NCc2ccc(Cl)cc2)c1 9340301 PMCWVMBYWONFJP-UHFFFAOYSA-N 376.840 2.794 0 40 GFAB CCCn1nc(C(=O)NC[C@H]2COc3ccccc3C2)c2ccccc2c1=O 9455565 HDPZIHZMIGAQFW-HNNXBMFYSA-N 377.444 2.788 0 40 GFAB NC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 10314450 BZQRKBPAFPIHRG-UHFFFAOYSA-N 395.440 2.839 0 40 GFAB COc1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)c(OC)c1 10327396 JYJDNUZQZXPVLE-UHFFFAOYSA-N 385.445 2.904 0 40 GFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 10441109 QWHPZIBYKXZIFD-AWEZNQCLSA-N 390.461 2.657 0 40 GFAB CC(C)(C)Nc1c([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nc2ccccn12 12088143 XZXMYYRCYDJCJM-LSDHHAIUSA-N 383.496 2.529 0 40 GFAB CCN(CC)Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)o1 12145754 DRZALAHAAQKANR-UHFFFAOYSA-N 396.491 2.909 0 40 GFAB CCc1cc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)no1 12276618 HDCFEYBJBBTMNQ-UHFFFAOYSA-N 378.432 2.904 0 40 GFAB COc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1Cl 12820837 VOBOFRRAZXCAHF-UHFFFAOYSA-N 388.898 2.754 0 40 GFAB C[C@H]1C[C@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12923913 XLDVVXOGGKCREO-OXJNMPFZSA-N 388.471 2.928 0 40 GFAB CC(C)NC(=O)CN(C)CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 12980109 SJXHQYSTGBEJPC-UHFFFAOYSA-N 379.810 2.692 0 40 GFAB CN(CC(=O)Nc1ccccc1Br)CC(=O)NC1CCCCC1 12984424 YDAFOFNVYLWQJP-UHFFFAOYSA-N 382.302 2.768 0 40 GFAB Cc1ccc(CC(=O)N2CCC[C@H](c3cc(O)nc(-c4cnccn4)n3)C2)cc1 13227043 MGKUPUQOLMTVFE-KRWDZBQOSA-N 389.459 2.896 0 40 GFAB O=C1NC2(CCN(C(=O)c3ccco3)CC2)Nc2ccc(Br)cc21 13566782 YVVUETHOXHILKQ-UHFFFAOYSA-N 390.237 2.830 0 40 GFAB Cc1cccc(NC(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c1C 13701053 JRDOXQGOTRFADF-UHFFFAOYSA-N 391.479 2.973 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960200 OLXBKELCWNVUGG-YVSFHVDLSA-N 385.851 2.868 0 40 GFAB CC(C)NC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)NC(C)C)s1 14198840 JZILZLVMIWOBKQ-AOOOYVTPSA-N 376.573 2.549 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 14246462 PTMFEMHIVJGVQB-SFHVURJKSA-N 379.420 2.657 0 40 GFAB CC(=O)Nc1ccc(/C=c2/sc3nnc(/C=C\c4ccccc4)n3c2=O)cc1 17198137 KBNBLYDQMCBEMG-HJCGTWLWSA-N 388.452 2.828 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c(C)c1 19132750 ZETCNIYSUQQDMZ-ROUUACIJSA-N 394.519 2.913 0 40 GFAB CC(C)[C@H](CNC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCOCC1 19662294 QDFMIXLLWFBIQK-HNNXBMFYSA-N 384.402 2.668 0 40 GFAB O=c1[nH]c(=O)n(-c2ccccc2F)c2c1CN(Cc1ccccc1Cl)CN2 20495089 STGKLCHXVRXSNZ-UHFFFAOYSA-N 386.814 2.704 0 40 GFAB COc1ccc(CC(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 21282187 WCPJAKHXDBZNQP-MRXNPFEDSA-N 398.459 2.541 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)n1 21488302 XDFWRBDXUCCQSB-UHFFFAOYSA-N 382.825 2.926 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 22534290 FYYRECLWHRBQCS-CQSZACIVSA-N 379.457 2.932 0 40 GFAB C[C@@H](OC(=O)c1sccc1-n1cccc1)C(=O)Nc1ccc(C(N)=O)cc1 22888138 GPHBUOZXCKAJPO-GFCCVEGCSA-N 383.429 2.822 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)c1 24260616 YWLIKCWLELMBBE-UHFFFAOYSA-N 390.461 2.660 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc3c([nH]c2=O)CCCC3=O)n1 25014344 YHGKBCZLDOMFGU-UHFFFAOYSA-N 376.416 2.949 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1F 26359486 BMRDQPHLGHNLEX-STQMWFEESA-N 397.406 2.845 0 40 GFAB Cc1ccc(CN(C)C(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)o1 28417456 PFWZIJIVNDJLJV-UHFFFAOYSA-N 381.314 2.560 0 40 GFAB Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3ccc(F)cc3Cl)CC2)on1 30154943 SHFPXMKGMRPLRI-ZDUSSCGKSA-N 380.851 2.920 0 40 GFAB COc1cccc(-n2cnc3cc(C(=O)NCc4ccccn4)ccc3c2=O)c1 31819273 ZDKBNEISNWUSNF-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCO2 32496566 RPQJVQDREUCBAU-UHFFFAOYSA-N 376.796 2.788 0 40 GFAB CC(C)[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1 32899728 CNUCZWHQBDVVFQ-LJQANCHMSA-N 383.423 2.733 0 40 GFAB O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)N1CCOCC1 33327359 GBFOROMOQYHZAA-UHFFFAOYSA-N 383.379 2.780 0 40 GFAB CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)[C@@H]1CSC(=O)C1)C1CC1 35313997 ILTMXNVVFOBAKK-SWLSCSKDSA-N 380.535 2.975 0 40 GFAB CS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 36293364 ZZFDIHPQBLRVHH-UHFFFAOYSA-N 381.406 2.717 0 40 GFAB Cc1nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)nn2c(C)c1C 40119249 RSNMIZJLOBPOFD-UHFFFAOYSA-N 385.449 2.552 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)no1 41864836 TWNJJDGZCCLLNS-UHFFFAOYSA-N 393.447 2.968 0 40 GFAB CCc1cc(O)nc(-n2nc(C)cc2NC(=O)Nc2ccc3c(c2)OCO3)n1 44389183 OZZFWKWUPFOQDD-UHFFFAOYSA-N 382.380 2.611 0 40 GFAB COc1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 44791519 QNXNZZJOYBAWPA-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB CN(C)[C@H](CNC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1Cl 48290576 MKXPEBMKOBVBAF-LJQANCHMSA-N 398.894 2.813 0 40 GFAB Cc1ccc(C(=O)CCC(=O)CCC(=O)/N=c2/[nH]nc(-c3ccccn3)[nH]2)s1 53526769 ZUEWERXKZQLWAV-UHFFFAOYSA-N 397.460 2.609 0 40 GFAB CCN(c1cccc(F)c1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 53669277 IWMIHDKVXBAXNR-UHFFFAOYSA-N 381.381 2.510 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 57426044 PVLFLMKXLNLCJF-LJQANCHMSA-N 394.519 2.603 0 40 GFAB O=C(Nc1nccs1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 58183572 ZWCQSSFTFPFOSK-UHFFFAOYSA-N 376.873 2.794 0 40 GFAB Cc1noc(C(F)(F)F)c1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 72307014 UBUCBJDMHFYMGN-UHFFFAOYSA-N 385.317 2.739 0 40 GFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)c(O)c1 79191390 CZYCWLOLWPWRDU-QFBILLFUSA-N 382.368 2.963 0 40 GFAB biogenic O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N[C@@H]1CCc2c(Cl)cccc21 84374338 MSGRPJNWUQSRKW-LJQANCHMSA-N 399.878 2.919 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@](O)(c2cccs2)C2CC2)c(C)c1 90584362 QRWZQWSIMOVMRE-GOSISDBHSA-N 394.518 2.591 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)Nc3cc(C)ccn3)c(=O)cc2OC)cc1 96101014 PYQMNBXPDQRARN-AWEZNQCLSA-N 394.431 2.831 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(C2=N/C(=C/c3ccsc3)C(=O)O2)cc1 96635221 PCVHCOVQASWWPX-OQLLNIDSSA-N 376.459 2.779 0 40 GFAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 100158998 SRDFCYUNCBVEOC-IYBDPMFKSA-N 379.464 2.766 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]2C=C[C@H]1CC2 102351886 KHYKJAGXWMEGEX-CAMMJAKZSA-N 388.895 2.897 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NC[C@@H]1CCCO1 217583547 QSOZBWSBBQWMCA-HNNXBMFYSA-N 396.509 2.977 0 40 GFAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c1 223243509 VUSYRQDLVLWKQM-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COCc1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 223993615 BUOGOCSOXUHOSN-UHFFFAOYSA-N 384.404 2.516 0 40 GFAB O=C(c1cccc(F)c1)N1CC2(C1)OCC[C@@H]2CCOCC1CCOCC1 247947218 RIYWHRMORXVIAJ-SFHVURJKSA-N 377.456 2.890 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccncc4)C[C@@H]32)cc1 306135770 PADGUJWXOZCWEE-YADHBBJMSA-N 388.471 2.973 0 40 GFAB COCC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc(SC)cc1)CCO2 306137219 QPIMXOQZBNOCAC-QUCCMNQESA-N 378.538 2.685 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 306142262 WUTPUHDZZFYURA-FPOVZHCZSA-N 377.469 2.899 0 40 GFAB Cc1cncc(C(=O)N2CC3(C[C@@H](COCc4ccccn4)CCN3C)C2)c1 306145169 ZZWJSZILGREJOJ-SFHVURJKSA-N 380.492 2.538 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 408626771 WUQVURQULSMOIE-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(I)cc3)o2)N1 408721926 MYOUVNAOGYZZMM-YRNVUSSQSA-N 380.141 2.732 0 40 GFAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1F 409165465 YLZLXDUQFMIWAL-UHFFFAOYSA-N 399.451 2.615 0 40 GFAB O=C1C[C@H](c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)N2NC=NC2=N1 409370477 RNXXARXBYNHYIU-OAHLLOKOSA-N 397.822 2.533 0 40 GFAB O=C(O)C[C@@H]1CCN(C(=O)c2cccc(F)c2)C[C@@H]1Cc1nc2cnccc2[nH]1 514289080 NIMHPVMUVISVMY-ZFWWWQNUSA-N 396.422 2.893 0 40 GFAB biogenic,in-vitro O=C(c1cncc(F)c1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575606035 JEKKHQPRFXKGLW-MRXNPFEDSA-N 382.844 2.876 0 40 GFAB O=C(NC1CC1)c1cccc(C(=O)N2CCN(c3c(F)cccc3F)CC2)c1 648435536 WHIVBYZOJSRXAU-UHFFFAOYSA-N 385.414 2.819 0 40 GFAB CC(C)(C(=O)O)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 649454211 AQGHSDJHTINONL-UHFFFAOYSA-N 397.269 2.737 0 40 GFAB CN(C)c1nc(N)nc(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)n1 1569983143 QAXIMPJOOFTRGJ-GFCCVEGCSA-N 381.267 2.708 0 40 GFAB O=C1C[C@@]2(COCCN(Cc3cccc(F)c3)C2)CN1Cc1cncs1 1614948489 LBDXDWCKOXDFBX-IBGZPJMESA-N 375.469 2.533 0 40 GFAB CC[C@@H](C)[C@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cnnn1 1615152105 RSYJGTRUMYZKGJ-KZULUSFZSA-N 386.431 2.947 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(c2nc3ccsc3c(=O)n2C)CC1 1888941654 OZUBFBGNANCIGR-UHFFFAOYSA-N 390.900 2.544 0 40 GFAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(F)c(F)c1)CCN(C(=O)C(C)C)C2 2055795959 AGMFZMPTDJXVQD-NRFANRHFSA-N 393.478 2.504 0 40 GFAB O=C1[C@@H](N2CCc3nc4ncc(Br)cc4cc3C2)CCN1C1CC1 2298050246 SPKKUQFKHYXSTJ-INIZCTEOSA-N 387.281 2.514 0 40 GFAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1OC 31820323 KDFOSHABIHYWMS-GFCCVEGCSA-N 381.392 2.817 0 40 GFAB Cc1cccc2cc(CN(CCO)C(=S)NCCc3ccccc3)c(=O)[nH]c12 4131770 SNFZIYCEFQTRBM-UHFFFAOYSA-N 395.528 2.748 0 40 GFAB COc1ccc2cc(CN(CCCO)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 4133344 XFDBRCNZNMYYFV-UHFFFAOYSA-N 381.432 2.953 0 40 GFAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc4nnnn4c3)nn12 32092112 BYKWMOVBRDANAE-UHFFFAOYSA-N 384.812 2.620 0 40 GFAB COc1ccccc1-n1cnc2cc(C(=O)NCCCOC(C)C)ccc2c1=O 32074179 GGLREBHVXRUSIZ-UHFFFAOYSA-N 395.459 2.939 0 40 GFAB C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 6509873 AJLXEEYROTZKNE-JTQLQIEISA-N 383.267 2.588 0 40 GFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)c(OC)c1 6679471 DPPBVFSFNADYRM-UHFFFAOYSA-N 384.479 2.576 0 40 GFAB O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 101953824 UDRAQRVIKXTMNC-IBGZPJMESA-N 383.879 2.790 0 40 GFAB CCSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)n1 41097353 KGUZSCCRHZYURB-ZDUSSCGKSA-N 379.869 2.756 0 40 GFAB CCn1nc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2c1=O 2662860 GFEMVAASJDTZLM-AWEZNQCLSA-N 391.427 2.551 0 40 GFAB C[C@]1(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CCS(=O)(=O)C1 32727699 RYAQHSNOZYLLRD-IBGZPJMESA-N 377.437 2.712 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc[nH]c1=O 32721200 JGXZDZGUDSWYRO-UHFFFAOYSA-N 387.745 2.758 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c(C)c1C 18013526 APKIIHGYAAWYFJ-KZULUSFZSA-N 378.538 2.718 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c(Cl)c1 9926483 HXHWIMQSLUGOIS-AWEZNQCLSA-N 382.811 2.824 0 40 GFAB COc1ccc(CS(=O)(=O)CC(=O)N(C)Cc2cccc(F)c2)cc1F 32929906 OFUPHHSZGDOAPY-UHFFFAOYSA-N 383.416 2.547 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23018646 WTOXZMIWWOWBHL-CABCVRRESA-N 386.473 2.557 0 40 GFAB CCCn1c(C)cc2cc(NC(=O)Cc3nc4[nH]c(C)c(C)c(=O)n4n3)ccc21 100770937 BMSANIXPSJCNOZ-UHFFFAOYSA-N 392.463 2.889 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)c1 23628121 KHBHZPZNFRDPPB-GFCCVEGCSA-N 375.450 2.700 0 40 GFAB COc1ccc(-c2nnc(S)n2CC(=O)Nc2nnc(C(C)C)s2)cc1 24925500 MEZMGODYFGDSKL-UHFFFAOYSA-N 390.494 2.856 0 40 GFAB Cc1nc(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)sc1CC(N)=O 24902420 HSGIJFLGWQPHBD-NSHDSACASA-N 381.498 2.930 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)CCc2c(C)nc(SC)nc2C)cc1 25050777 VSOFPEYYVKASCI-UHFFFAOYSA-N 386.521 2.766 0 40 GFAB COC(=O)CCCNC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 62714915 QWJJPERGLNDTGA-VOTSOKGWSA-N 386.242 2.549 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 24654306 HFRZSRGXBJXGET-OAHLLOKOSA-N 393.443 2.544 0 40 GFAB CCN(CC)[C@@H](CNC(=O)c1ccccc1S(=O)(=O)CC)c1ccco1 58190878 RTOWCBKSIRIXGJ-INIZCTEOSA-N 378.494 2.886 0 40 GFAB COCCN(C(C)=O)c1nc(C)c(C(=O)Nc2nnc(C(C)(C)C)s2)s1 44903129 LOAQOSVYUUTFCK-UHFFFAOYSA-N 397.526 2.852 0 40 GFAB COc1ccc(-c2nc3s/c(=C\c4cccc(F)c4)c(=O)n3n2)cc1OC 2381150 LQSKHLNPRLMVLJ-SXGWCWSVSA-N 383.404 2.522 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(F)c2)n1N 2366924 NZQAFHMGLVEMQT-UHFFFAOYSA-N 387.440 2.846 0 40 GFAB O=C(CCN1C(=O)CCC1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12794520 OIHLHUOPTQTHBD-URIDEBFRSA-N 388.467 2.939 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2c3c(nn2C)CCC3)nn1-c1ccc(Cl)cc1 48310739 IHTXYNIJZWXKLE-UHFFFAOYSA-N 383.839 2.669 0 40 GFAB Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(C(C)C)n1 12941487 QAHOSWPDKWQVAP-UHFFFAOYSA-N 378.473 2.558 0 40 GFAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccccc2)C1=O 12948565 GAPBIYIUQPQVPY-AVRDEDQJSA-N 395.434 2.956 0 40 GFAB Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2ccccc2OCC(N)=O)c1 13005751 VSRZFKSEUKBTKG-UHFFFAOYSA-N 393.342 2.500 0 40 GFAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccn2)CC1)CC3 13115753 MHJLYXHHPAKOKX-UHFFFAOYSA-N 389.503 2.578 0 40 GFAB O=C(Nc1ccc(F)cc1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13691929 IQIFGHUKLSFJGT-AWEZNQCLSA-N 377.441 2.513 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 4393252 KUGGZXDTDOYROY-XGYYKPKNSA-N 395.477 2.744 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCN1C(=O)c2ccccc2C1=O 5211105 NKXPOIMEBFLZBW-UHFFFAOYSA-N 389.411 2.942 0 40 GFAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccco1 5485469 LPJOKBQUPJGNRH-KRWDZBQOSA-N 395.463 2.890 0 40 GFAB Nn1c(COc2ccc(F)cc2)nnc1SCc1noc(-c2ccco2)n1 23038302 FWKFLDMMNYCWJV-UHFFFAOYSA-N 388.384 2.645 0 40 GFAB CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)CC1 6760105 KSQYRHHLOXURCM-UHFFFAOYSA-N 381.454 2.631 0 40 GFAB CN(Cc1cccs1)C(=O)CSc1nnc(Cc2ccccc2F)n1N 6785891 IBBSXPXGOOVZCW-UHFFFAOYSA-N 391.497 2.534 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1 14784743 VOWDSXKABVZWTO-UHFFFAOYSA-N 380.853 2.502 0 40 GFAB COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 6841294 ZITZACCRUGQFFI-MGPQQGTHSA-N 399.329 2.914 0 40 GFAB CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 4982983 PFHZFAXQCJPCQH-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)n2N)n1 7530388 JALQOTGQGDWFPT-UHFFFAOYSA-N 399.524 2.957 0 40 GFAB Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cn(C)nc4C)CC3)n2)cc1 92010479 TZYYIPWFWYFZFB-KRWDZBQOSA-N 380.496 2.966 0 40 GFAB CCONC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 8923481 POZJQQABPUSPHI-UHFFFAOYSA-N 398.868 2.855 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCc2ccccc2)cc1 9095354 GETPCDIMPMUWOU-FQEVSTJZSA-N 386.517 2.897 0 40 GFAB Cc1nncn1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 89740979 KSGNPTQIXVSRGJ-UHFFFAOYSA-N 397.460 2.503 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CN1C(=O)CCCc2ccccc21 89893738 XZVDPHMBRJNSCH-MRXNPFEDSA-N 381.480 2.722 0 40 GFAB O=C1CCCc2cc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)ccc2N1 89800344 KVYZUBNVWJFOOG-OAHLLOKOSA-N 384.461 2.661 0 40 GFAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)c1c[nH]c2ccccc12 97412102 XQCBVNBARHXIGS-BPUTZDHNSA-N 396.443 2.848 0 40 GFAB CCc1c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)cnn1-c1ccc(C)cc1 95403655 QYDGYDQWNNKRBT-MSOLQXFVSA-N 384.524 2.660 0 40 GFAB COc1ccc(Cc2n[nH]c(NC(=O)Cc3ccc4c(c3)OCCCO4)n2)cc1 95473637 PXWDLGPVJOQSSE-UHFFFAOYSA-N 394.431 2.747 0 40 GFAB CC(C)c1nc2cc(NC(=O)[C@H](C)n3nnc4ccccc4c3=O)ccc2[nH]1 95474682 XATHTHPRZYQNHM-LBPRGKRZSA-N 376.420 2.991 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)c3ccc(Cl)c(F)c3)CC2=O)cc1 95992801 IQWHMFLMANWYLR-RDTXWAMCSA-N 390.842 2.990 0 40 GFAB O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCOC[C@H]1c1ncon1 95981435 JYYDRJWHYWYNLG-AWEZNQCLSA-N 394.218 2.776 0 40 GFAB CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(Cn2cc(Br)cn2)o1 95974569 LNJSOYMWPRISCK-BXUZGUMPSA-N 382.258 2.520 0 40 GFAB COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)c1 79112426 KLFAHVWZFKFBMR-LJQANCHMSA-N 387.461 2.764 0 40 GFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccs1 20802087 MGSGPSLUKLMXRY-IAGOWNOFSA-N 399.472 2.860 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 408619689 IMWKFNDCECVGCA-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 408590241 GYINKXOJMAHRNA-CXUHLZMHSA-N 396.399 2.560 0 40 GFAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4F)c3)c2)n1 65250913 GXUMYKZPWWXFGL-UHFFFAOYSA-N 392.394 2.949 0 40 GFAB CCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 60794343 BYRSJHUEVQYONM-UHFFFAOYSA-N 393.534 2.717 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 38752658 KOOFTBYTDNOVJU-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1 39985217 ILQXHAURNNAKPX-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1ccccc1[C@H](CNC(=O)c1cnn2c(C)cc(C)nc12)N1CCCC1 32795221 MMKLYULRUVAHLV-IBGZPJMESA-N 393.491 2.922 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1 223888471 KBWDUYSLBZORIJ-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)C(C)C 225232977 BUUVKWZATUBFAH-HNNXBMFYSA-N 382.526 2.573 0 40 GFAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(F)cc1 224902749 NHHPIORMJYSWSX-UONOGXRCSA-N 394.468 2.866 0 40 GFAB C[C@H](CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 225138925 YXLLAENHPKEGIP-LLVKDONJSA-N 382.511 2.605 0 40 GFAB COc1cc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1 45366120 ZECXKJQLRCVUSP-UHFFFAOYSA-N 385.416 2.754 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1NC(C)=O 222716972 ZLEWNNLLDGWYND-UHFFFAOYSA-N 385.555 2.521 0 40 GFAB CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NC(C)(C)C)CCN(C)CC1 575443552 CGAZVHANOZOPOG-UHFFFAOYSA-N 398.551 2.938 0 40 GFAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(S(C)(=O)=O)cc1 225609143 XALRYNXGCGNAJQ-KRWDZBQOSA-N 385.482 2.967 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C)c2onc(-c3cccnc3)c2C(=O)O)cc1 96297053 RWCUWGWNJZPVQM-GFCCVEGCSA-N 387.417 2.783 0 40 GFAB biogenic,in-vitro Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccnc3ccccc23)o1 96115213 YEXZZDOUTNQXJW-KRWDZBQOSA-N 394.427 2.583 0 40 GFAB biogenic CCOC(=O)[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515339 IVOMYWUFIFBWNR-SCTDSRPQSA-N 393.892 2.849 0 40 GFAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 257310311 UEPBQTVWJHSDTM-NRFANRHFSA-N 399.470 2.786 0 40 GFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 622766283 LQWDHMSVWKRLDP-RDJZCZTQSA-N 399.516 2.608 0 40 GFAB Cc1cn2ccc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)cc2n1 635410970 NWPSYWLUQJLSOA-UHFFFAOYSA-N 378.432 2.676 0 40 GFAB CCN1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C[C@@]12CCOC2 1615589732 RWMHCJBXMDDJGZ-HXUWFJFHSA-N 389.496 2.815 0 40 GFAB CC[C@H]1OC2(CCN(C(=O)NCc3cc(C)ccc3OC(F)F)CC2)NC1=O 1615589880 MGCNSBZTOBXJDS-CQSZACIVSA-N 397.422 2.523 0 40 GFAB CCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 575421873 SJEWPVKQVJFLPM-GOSISDBHSA-N 393.530 2.627 0 40 GFAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585292201 YIVQMGAHJVMJDH-BWPKMQGJSA-N 395.492 2.748 0 40 GFAB COc1cc2c(cc1OC)C(=O)NC1(CCN(C(=O)OC(C)(C)C)CC1)N2 66739569 DABREEQSIDTMMJ-UHFFFAOYSA-N 377.441 2.586 0 40 GFAB C[C@H]1CN(CCCNCc2cc(Br)c3c(c2)OCO3)C[C@@H](C)O1 84706259 KNXFKNMYFLEONC-BETUJISGSA-N 385.302 2.767 0 40 GFAB COc1ccc(CCNCc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC 13999234 WZGONNSUQBXPFL-UHFFFAOYSA-N 398.459 2.895 0 40 GFAB Cn1c(=O)oc2cc(NC(=O)CC3CCN(Cc4ccccn4)CC3)ccc21 19748848 JCJVKTYEKZVFGS-UHFFFAOYSA-N 380.448 2.767 0 40 GFAB COc1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)cc1 19760347 GNAWNPJTYFOARU-IBGZPJMESA-N 397.523 2.567 0 40 GFAB Cc1nn(CCC(=O)N2C[C@@H](CN3CCOCC3)c3ccccc32)c(C)c1C 19557027 IESFGDPEOWFUCU-LJQANCHMSA-N 382.508 2.661 0 40 GFAB CN(C)Cc1cc([C@H]2CCCCN2S(=O)(=O)Cc2ccccc2)nn1C 19709183 YKCGMZBHGPXDQE-LJQANCHMSA-N 376.526 2.539 0 40 GFAB CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)C1(c2ccccc2F)CCCC1 7086423 NLDJUPNUIMENSA-UHFFFAOYSA-N 392.471 2.554 0 40 GFAB Cc1nc(N2CCCC2)cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 1888860208 WOEXUSPLRWSLAM-UHFFFAOYSA-N 393.417 2.521 0 40 GFAB Cc1ccn2c(NC(=O)C3=NN(C)C(=O)CC3)c(-c3ccc(F)cc3)nc2c1 27452618 VMOCQNBNBBZOLS-UHFFFAOYSA-N 379.395 2.996 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(OC)c3)n2)cc1 9844270 HIFMSFFQFNKQTN-UHFFFAOYSA-N 393.443 2.748 0 40 GFAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)n([C@H]2CCS(=O)(=O)C2)n1 17011565 IKJLRMBZHYBJKP-KRWDZBQOSA-N 399.472 2.722 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38490317 CJGAWCKZNOJIGA-IRXDYDNUSA-N 392.484 2.779 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@](O)(c1ccco1)c1cccs1)c1ccccc1 238824787 DMCVOUVIKAKLBG-VLIAUNLRSA-N 384.457 2.571 0 40 GFAB O=C([C@@H]1CCCN(c2ncc(Br)cn2)C1)N1CCC(F)(F)CC1 2298188643 ZXSRGZXXBVWMBF-LLVKDONJSA-N 389.244 2.713 0 40 GFAB COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c1OC 19567373 BAZOVWRBVIELLN-KRWDZBQOSA-N 382.464 2.507 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 30057274 VZOIPXUKWFFGBJ-UHFFFAOYSA-N 386.517 2.875 0 40 GFAB C[C@@H](SCc1csc(-c2ccccc2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 40067192 BYDUQAJMGCPCGE-TZMCWYRMSA-N 396.559 2.735 0 40 GFAB COc1ccc(S[C@@H](C)C(=O)NCc2cccnc2N2CCOCC2)cc1 40153805 QCEUOANHUKVORQ-HNNXBMFYSA-N 387.505 2.724 0 40 GFAB O=C(NCc1cc(Br)ccc1F)[C@@H]1CC(=O)N(Cc2ccco2)C1 45457558 GNCKXIZQFZBSEX-GFCCVEGCSA-N 395.228 2.846 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 800465 DJWCWHWZKXZWJC-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB Cc1ccc(C(=O)NC2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)s1 51098417 LQUKNRSKIYEOPV-LBPRGKRZSA-N 378.523 2.734 0 40 GFAB COc1cccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1OC 3385192 QICDQZKNCIETAT-UHFFFAOYSA-N 395.419 2.880 0 40 GFAB O=C(CN1CCN(c2ncccn2)CC1)NCC1(c2ccccc2)CCCCC1 51206035 FTYXSFVQUJWJAB-UHFFFAOYSA-N 393.535 2.617 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885347 XWKQYSFFCKQMDI-FOUBCARRSA-N 396.418 2.516 0 40 GFAB COc1ccccc1/C=C(/C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 32149039 JQNDLKZQTGNHSG-OGBKAESYSA-N 385.485 2.881 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 6081746 YHSPZNRMJXAWOO-SJLPKXTDSA-N 380.444 2.769 0 40 GFAB COc1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)c(OC)c1 6476063 LCJSQTRZHIUPQA-UHFFFAOYSA-N 383.433 2.959 0 40 GFAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(Cl)ccc2OC)n1 7419573 YYQUPZRYTQQWFD-UHFFFAOYSA-N 387.827 2.741 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1cccc(Cl)c1 10110223 IYPVALYDRLCKLX-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB O=C(NCCC(=O)N1CCC(N2CC=CC2)CC1)c1ccc2ccccc2c1 101448735 CCOPVQLUBGRJLI-UHFFFAOYSA-N 377.488 2.823 0 40 GFAB O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(F)c(F)c1F 46071436 ZOPWBNASLVBLMU-UHFFFAOYSA-N 384.423 2.831 0 40 GFAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCNC(N)=O 32747973 FVQFNVADLAIHSL-UHFFFAOYSA-N 380.242 2.726 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1c(C)cccc1CC 2658379 JNHQLPIVAJGQAY-UHFFFAOYSA-N 398.459 2.868 0 40 GFAB Cc1ccc(C)c(OCCSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 21624239 OZCYVICHULQYTL-AWEZNQCLSA-N 382.507 2.835 0 40 GFAB CC(C)N(C(=O)COC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)C(C)C 32913726 RWXYHYGQJAYEPZ-AWEZNQCLSA-N 382.892 2.535 0 40 GFAB COCCOc1cccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2nccn2C)c1 100728580 XIOMBTFKOXGGNQ-RTBURBONSA-N 385.508 2.565 0 40 GFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)[C@@H](C)Oc3ccc(C)cc3)C(=O)[C@H]12 102621473 DFFRHIGGYFKYAY-DAYRTQLQSA-N 382.460 2.771 0 40 GFAB Cc1nn(C)c2sc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc12 22372776 FZFCNUCLNITKMR-KRWDZBQOSA-N 384.505 2.747 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1c[nH]c2ccccc12 18094596 CKPGKSMVTMLUGL-UHFFFAOYSA-N 393.443 2.969 0 40 GFAB COc1cccc2[nH]c(C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)cc12 12390053 BMARXJBKZQXKKK-UHFFFAOYSA-N 381.388 2.664 0 40 GFAB Cc1cccc(OCC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 105572489 QKQZKGLLWRYZEV-QFIPXVFZSA-N 381.520 2.869 0 40 GFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2C(=O)CN(C)C)cc1 100753433 SMXABMFKUMWJRQ-KXBFYZLASA-N 391.475 2.555 0 40 GFAB O=C(Nc1cccc2cnccc12)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24761293 DIOZKIFIQOSQSC-AWEZNQCLSA-N 375.384 2.955 0 40 GFAB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NCC(F)(F)F 24852254 DDCSRNZJZFNMAV-JTQLQIEISA-N 384.310 2.756 0 40 GFAB COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 100634810 FGCRNGIMEMHLIU-AWWSKVOZSA-N 391.423 2.725 0 40 GFAB Cn1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 25305482 VVMNPKRCUFUNHK-UHFFFAOYSA-N 388.424 2.541 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 20493805 VYCUTRARFWSXDB-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB CC(C)[C@@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1 26302195 TYASHGGXIWPFDH-LJQANCHMSA-N 394.947 2.528 0 40 GFAB CCOC(=O)c1cnc(S[C@H](C)C(=O)NCCC2=CCCCC2)nc1N 12557935 SHPHKCBPLOZWRJ-GFCCVEGCSA-N 378.498 2.723 0 40 GFAB O=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1CC(=O)N(c2ccccc2)C1 58183360 IBEDFVFTYUKXFO-QGZVFWFLSA-N 375.432 2.512 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1C(F)(F)F 3293969 QWYLKOSWSJVBIK-UHFFFAOYSA-N 396.192 2.504 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCCO3)c(C)c1 10657354 XHJZUUAJERATSO-UHFFFAOYSA-N 377.418 2.964 0 40 GFAB O=C(Cn1c(=O)c(N2CCOCC2)nc2ccccc21)Nc1cccc(Cl)c1 12727714 DNMBGOIVJBSRKR-UHFFFAOYSA-N 398.850 2.525 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCCCO2 12791646 WQNSHYGZOAUEOB-UHFFFAOYSA-N 395.459 2.555 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)cc1 48354036 PIAKUFKWYZRDCW-RVKKMQEKSA-N 379.526 2.671 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)CC1 48314520 CCOJUUBAOWIITF-UHFFFAOYSA-N 390.469 2.685 0 40 GFAB COC(=O)C[C@H](NC(=O)CCc1nc(-c2ccco2)no1)c1cccs1 12888828 RTMRTMJZWIXEHL-NSHDSACASA-N 375.406 2.744 0 40 GFAB CC(=O)c1cccc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 12802539 WPVPIMGAKLFHQU-UHFFFAOYSA-N 377.404 2.895 0 40 GFAB CCCNC(=O)NC(=O)CN(Cc1ccc(OC(F)F)c(OCC)c1)C1CC1 12868077 NPVBZOQTNSJZHY-UHFFFAOYSA-N 399.438 2.887 0 40 GFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)N[C@H]1CCCc2ccccc21 3453210 HTOMALXJLOLGSB-SFHVURJKSA-N 376.412 2.879 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 48403124 VTCQCEXXXLZSLS-BPAFIMBUSA-N 382.508 2.862 0 40 GFAB CSCC[C@@H](C(=O)Nc1ncc(C)s1)N1C(=O)c2ccccc2C1=O 3555910 UOCPPMBANFFHNR-ZDUSSCGKSA-N 375.475 2.808 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC(C)CC1 13056349 XNGYCCLKXRFVMP-UHFFFAOYSA-N 393.553 2.840 0 40 GFAB COC(=O)C[C@H](NC(=O)CCCNC(=O)c1cccs1)c1cccs1 13006995 VARBQQUDRMRPAD-LBPRGKRZSA-N 380.491 2.740 0 40 GFAB COc1ccc2c(C)c(CC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1C 8490979 OPWREEZWFZKTLR-SFHVURJKSA-N 381.428 2.811 0 40 GFAB biogenic COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1nc2ccccc2s1 8277072 ATIPEIRKCUQSLD-MRXNPFEDSA-N 384.457 2.835 0 40 GFAB CN(C(=O)c1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CCS(=O)(=O)C1 39996818 YVHCNFBTUVKTHV-QGZVFWFLSA-N 377.437 2.664 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1C 408622989 OLYBQCCIEBYBBZ-ZDUSSCGKSA-N 380.441 2.838 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCN(C)C)cc2)c1 6471466 PRWMILIKOBRSJC-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB COc1cc(-c2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)cc(OC)c1OC 5461972 VQBYUPGXYZWJDL-UHFFFAOYSA-N 398.448 2.757 0 40 GFAB Cc1sc2ncnc(N[C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2c1C 8327983 UIXDJCUNKAEFAS-VIFPVBQESA-N 382.449 2.917 0 40 GFAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc2c(c1)OCCO2 4937337 RAJGCUXPYGMAEZ-GFCCVEGCSA-N 397.456 2.824 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1 6943408 FLUTUTKTVDQSIZ-BXUZGUMPSA-N 384.379 2.849 0 40 GFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 408602833 JHCWAHIAFNQBHL-CYBMUJFWSA-N 380.441 2.918 0 40 GFAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](Cc2ccncc2)C1 96007846 ZYGOVBJBRDVVBL-SJORKVTESA-N 375.538 2.810 0 40 GFAB COc1ccc(N2C(=O)N[C@](NC(=O)C3CCCCC3)(C(F)(F)F)C2=O)cc1 9419243 ZTDDQDWAXTYHEM-KRWDZBQOSA-N 399.369 2.707 0 40 GFAB C[C@@H](CCc1ccccc1)Nc1nc(Cl)nc(NCCN2CCOCC2)n1 19830987 SEJGXIVVZQIXRC-HNNXBMFYSA-N 390.919 2.702 0 40 GFAB O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccc(N2CCCC2=O)cc1 71844052 LLDJRXPUMIXQPJ-HXUWFJFHSA-N 377.488 2.919 0 40 GFAB O=C1C(=O)N(CC(=O)N2CCCc3ccccc32)c2ccc(Br)cc21 408547583 ZCCAFZFSKFEBKG-UHFFFAOYSA-N 399.244 2.958 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 95998742 WFBSHPQEYGUZFD-SFHVURJKSA-N 396.491 2.893 0 40 GFAB Nc1nc(COC(=O)c2cncn2-c2ccccc2)nc(Nc2ccccc2)n1 9951456 TYVJPIVJSWCECS-UHFFFAOYSA-N 387.403 2.740 0 40 GFAB Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccn(Cc2cccnc2)n1 79068185 SKFXCXPAAIPUSJ-UHFFFAOYSA-N 391.475 2.667 0 40 GFAB NC(=O)c1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCCC2 408622452 PJFYDDDKVUZCIQ-UHFFFAOYSA-N 377.466 2.992 0 40 GFAB CCCCN(CC)C(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O 67208751 VSLAQSMRWHOMOV-UHFFFAOYSA-N 381.480 2.769 0 40 GFAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccccc3)o2)cc1OC 408714668 USDJDDPPMRNFSB-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB CSc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 31555691 GIVXNDOZFZZTIQ-UHFFFAOYSA-N 399.860 2.978 0 40 GFAB Fc1cc(CN2CCN(c3ncnc4ccsc34)CC2)ccc1-n1cncn1 537628462 KVZQTEBDYWWEGB-UHFFFAOYSA-N 395.467 2.733 0 40 GFAB O=[P@](c1ccccc1)([C@@H](c1ccco1)N1CCOCC1)N1CCOCC1 30836239 ATLKJXCPAIJKLY-AFMDSPMNSA-N 376.393 2.546 0 40 GFAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1 32115237 ZANJLOFJVWNFDJ-UHFFFAOYSA-N 385.489 2.724 0 40 GFAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cc(-c2ccccc2)on1 38677142 CAMQIMLNSNHGNJ-UHFFFAOYSA-N 376.372 2.588 0 40 GFAB COCc1nnc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)s1 44891733 GMZLWVZOWJJUER-UHFFFAOYSA-N 380.433 2.913 0 40 GFAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223886116 MDRLJNRJSDMJHK-CQSZACIVSA-N 384.498 2.514 0 40 GFAB CC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 220087119 DAGZSYMTQCYXMC-UHFFFAOYSA-N 382.388 2.572 0 40 GFAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(CC3CCCC3)C[C@H]21 514289317 ICAKWACBBLLEKO-CTNGQTDRSA-N 380.492 2.795 0 40 GFAB biogenic,in-vitro COc1ccc(-c2cc(C(=O)N[C@@H](C)c3nnc4ccccn34)n[nH]2)cc1OC 96344353 PMRXWFVYQOQMKY-LBPRGKRZSA-N 392.419 2.628 0 40 GFAB C[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)C1 1708073229 MLYGYPSQHOCOQL-SJORKVTESA-N 388.560 2.588 0 40 GFAB CC(C)CS(=O)(=O)C1CN(C(=O)CSc2nc3ccccc3s2)C1 96380127 WKRVOEPAUPLSJF-UHFFFAOYSA-N 384.548 2.670 0 40 GFAB Cc1nc(Nc2cc(C)[nH]n2)cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 585293235 SMHBNRQQCQHSPW-LKGOPFMKSA-N 389.463 3.332 0 40 GFAB C[C@]12CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)[C@H]1CCCCC(=O)N2 585284654 UOEFQMOEHBDTBP-FPOVZHCZSA-N 389.515 2.680 0 40 GFAB Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 585101846 IYPDKBVVGRKCPX-IBGZPJMESA-N 387.509 2.901 0 40 GFAB Cc1cc(-c2cc(=O)n(CC(=O)NCC3CC3)nc2-c2ccc(C)s2)on1 72337626 LXPZAHUPEQPKBM-UHFFFAOYSA-N 384.461 2.770 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 5425498 LOJYHBIVPACEFR-INIZCTEOSA-N 376.503 2.904 0 40 GFAB CC[C@@H]1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1 12188615 ZXLXAZGQEUYWNL-HXUWFJFHSA-N 383.492 2.693 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 12533983 GCUZGGRVTJPAMI-UHFFFAOYSA-N 381.476 2.552 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 12680213 RTRSTTIGXYWKCC-OAHLLOKOSA-N 376.478 2.960 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1c(C)cccc1C)c1ccc2c(c1)OCO2 14397028 DLKZFHWYHTYIOY-UHFFFAOYSA-N 390.461 2.827 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccccc1Cl 15718287 VWTCPZFNIMXNKP-UHFFFAOYSA-N 378.881 2.722 0 40 GFAB O=C(CC[C@H]1CCCO1)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 19292075 DWNICDDFAHMKRB-CYBMUJFWSA-N 379.411 2.727 0 40 GFAB CC(C)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)n2)C1 19462922 RLQMQYYSZBJAFA-CGTJXYLNSA-N 386.540 2.720 0 40 GFAB CCc1onc(C)c1C(=O)N1CCC([C@H](NC(C)=O)c2nccs2)CC1 19521089 DIXVNCRIAWRBRQ-INIZCTEOSA-N 376.482 2.732 0 40 GFAB Cc1cccn2cc(C(=O)Nc3cccc(N4CCCCS4(=O)=O)c3)nc12 19660404 SPGHETJDSMWEOT-UHFFFAOYSA-N 384.461 2.825 0 40 GFAB COCC(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 19766174 WXNKBEAJGRQFSY-CYBMUJFWSA-N 388.855 2.653 0 40 GFAB Cc1cc(-c2cnc(C)nc2CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)on1 12337732 WZUXHFYLNNPEHF-HNNXBMFYSA-N 391.431 2.533 0 40 GFAB COCCc1ncc(CN2CCCC[C@@H]2c2nc(C)c3c(n2)N(C)CCC3)cn1 19706258 YVQQCIWSTSWPIR-LJQANCHMSA-N 396.539 2.874 0 40 GFAB C/C(=C\[C@H](C)C[C@H](C)c1ccc(C)cc1/C=C/CO)C(=O)N[C@H](CO)C(=O)O 257371312 OLHMPWBLHDQGDT-GNYJYYIOSA-N 389.492 2.638 0 40 GFAB biogenic,in-vitro Cc1nc(C2CC2)nc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)c1C 1888844618 PTQLKRXKLQPMEN-UHFFFAOYSA-N 382.390 2.695 0 40 GFAB CC(C)NC(=O)CCCn1c(S)nc2ccc(Br)cc2c1=O 2973720 YXUHWURQDXUFRL-UHFFFAOYSA-N 384.299 2.753 0 40 GFAB CC(=O)c1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)c1 9530230 AKSRJSRPUVWSOJ-UHFFFAOYSA-N 389.458 2.731 0 40 GFAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)c2cccs2)CC1 2055751367 OQGNMISXAZQCAJ-UHFFFAOYSA-N 387.505 2.598 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575610799 BCNUVTPFXCYMNO-SNVBAGLBSA-N 397.403 2.502 0 40 GFAB O=C(c1ccc2nccnc2c1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1 585502854 PPBLWRDKXVDFOW-UHFFFAOYSA-N 389.459 2.616 0 40 GFAB Cc1cccc(OCC(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)c1 585147205 ZCNIUIJHUMWQJP-OAHLLOKOSA-N 392.253 2.606 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19499453 BHCPOGNMTHWJNY-KXBFYZLASA-N 398.482 2.825 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CN(C)C[C@H]1COc2ccccc2O1 11225127 YEUGRSQXGPJKSI-SFHVURJKSA-N 382.460 2.746 0 40 GFAB C[C@@H]1CN(CC2CCN(CCCn3c(=O)oc4ccccc43)CC2)C[C@@H](C)O1 69016720 YXOHWNVJKLOVPI-QZTJIDSGSA-N 387.524 2.806 0 40 GFAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 1379580 DSOBUBNQGZZXEE-INIZCTEOSA-N 397.431 2.737 0 40 GFAB COCCN(C)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 2489025 CLKRUDAGBXCAMZ-UHFFFAOYSA-N 375.372 2.952 0 40 GFAB O=C(CSc1nnc2sc3ccccc3n12)NC(=O)NC1CCCC1 3495629 PJUNSAHFXLAAST-UHFFFAOYSA-N 375.479 2.805 0 40 GFAB COc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cn1 40653493 RTZMJUUYAYBCKR-UHFFFAOYSA-N 395.868 2.926 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101173423 PDXVZOZPMHGWND-HIFRSBDPSA-N 389.180 2.881 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@]23C=C[C@H]1O3 4555088 VPPDEEZJOFBAPZ-VLVHOKLOSA-N 375.424 2.712 0 40 GFAB COc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1 4895555 LAQGSICDQNNPGW-UHFFFAOYSA-N 383.427 2.855 0 40 GFAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 102213057 GNMWHBAJTKJJEB-TUFLPTIASA-N 377.440 2.979 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 8320003 NGILPAMHUKMWKO-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102240376 JXINXUFLHOSMLE-LEWSCRJBSA-N 382.338 2.863 0 40 GFAB COc1ccc([C@H]2c3c(-c4ccc(C)cc4)nnc(O)c3Nc3nnnn32)cc1 10232574 JGVLHVKTTQTENZ-SFHVURJKSA-N 387.403 2.847 0 40 GFAB CCOc1ncccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 100159066 VPWONSULVWBENL-GASCZTMLSA-N 380.452 2.622 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)CCc2nnc(-c3ccsc3)o2)ccn1 47012320 XALZPEBRXFPJHN-UHFFFAOYSA-N 394.460 2.936 0 40 GFAB COc1ccc(NC(=O)NCCC(=O)Nc2cccnc2N2CCCC2)cc1 47226008 OIQFKOPELUCPMU-UHFFFAOYSA-N 383.452 2.841 0 40 GFAB COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 103598313 BCFLFWGIXLIAIV-SNVBAGLBSA-N 387.436 2.861 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 12525368 WKCZAIAJXRJUIH-UHFFFAOYSA-N 391.475 2.576 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]21 100036886 XYMLIGXWGQOEGG-PKOBYXMFSA-N 391.431 2.544 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NCc2nc(O)c3sccc3n2)cc1 22800443 SJEWRZYBCDJBRK-KRWDZBQOSA-N 384.505 2.868 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 25050232 VLQVIKYCTYBYTJ-CQSZACIVSA-N 381.432 2.628 0 40 GFAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)N1CCC[C@H]2CCCC[C@@H]21 25063696 IBLKCFZEDACGJO-CTNGQTDRSA-N 395.551 2.633 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1OC 113967164 XRVZGXRLZPNQCO-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB C[C@]1(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1(Cl)Cl 22687626 IZFFZRYRLZPAAE-GOEBONIOSA-N 375.271 2.899 0 40 GFAB Cc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)ccc1NS(C)(=O)=O 26029519 RSSCGGDYXMECTF-SJKOYZFVSA-N 376.434 2.534 0 40 GFAB C[C@@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccccc1NS(C)(=O)=O 56962081 VZCMFBOJCHKFGO-LLVKDONJSA-N 392.868 2.850 0 40 GFAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 26780364 OZCGWCFJTCQSRV-HXUWFJFHSA-N 392.584 2.750 0 40 GFAB CCc1ccccc1NC(=O)CNc1ccccc1C(=O)N1CCC[C@H](O)C1 57994755 OLUIGARAZSRZCL-KRWDZBQOSA-N 381.476 2.897 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2nnc(-c3ccccc3)o2)cc1 3366161 ULWJEJWNCCUGPL-UHFFFAOYSA-N 386.429 2.952 0 40 GFAB Cc1nc(C2(NC(=O)CCCNC(=O)NC3CCCCC3)CCCC2)no1 58163495 CBPHRNIFNNIRIA-UHFFFAOYSA-N 377.489 2.676 0 40 GFAB CCn1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(=O)c2ccc(C)nc21 3346832 ANDWUWDJRCLZFH-UHFFFAOYSA-N 393.443 2.540 0 40 GFAB O=C(O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 2139833 ULFMGLSCYHXDAN-SFHVURJKSA-N 382.416 2.802 0 40 GFAB biogenic CCOc1ccccc1Nc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s1 3357310 IQIRLDWHUQMLMG-GFCCVEGCSA-N 395.510 2.992 0 40 GFAB COc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1F 8308597 OWWQVWUNTUQXRP-UHFFFAOYSA-N 387.455 2.672 0 40 GFAB CCCNC(=O)NC(=O)CN(C)Cc1ccc(OCc2ccccc2)c(OC)c1 8310271 MUWRGYQDILUFEC-UHFFFAOYSA-N 399.491 2.942 0 40 GFAB CC(C)CN1C(=O)N[C@@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1=O 3623536 ZNRUBMBCSHKXIQ-CQSZACIVSA-N 377.750 2.536 0 40 GFAB COc1ccccc1N1CCN(CCCC[C@H]2Oc3cccnc3NC2=O)CC1 63117800 IYDMXXPIAQQDDS-HXUWFJFHSA-N 396.491 2.782 0 40 GFAB C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1 22521504 OTLMAABVUDBGKE-ZDUSSCGKSA-N 379.457 2.559 0 40 GFAB O=C(CSc1nnc2[nH]c3ccccc3n12)NC(=O)Nc1ccccc1F 4266850 OIZCXZKDISOMHW-UHFFFAOYSA-N 384.396 2.790 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc4c(cc3C)OCO4)C2=O)c1 409105057 IHDVFYKCRZUSEE-LZYBPNLTSA-N 393.399 2.564 0 40 GFAB CN(C)CCN1CCC[C@]2(CN(CC3CCCC3)C[C@H]2c2cccnc2)C1=O 306126557 DYXZHMBAGQZHLE-JTHBVZDNSA-N 384.568 2.841 0 40 GFAB CC(C)[C@]1(C)NC(c2nc3ccccc3cc2C(=O)N2CCSCC2)=NC1=O 13733078 FPPGPULYXXQGEY-NRFANRHFSA-N 396.516 2.715 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 4308541 XSTJZDZWPDPVSJ-LJQANCHMSA-N 391.349 2.900 0 40 GFAB Cn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1-c1ccncc1 5259934 GSPMUQJGFJYQDI-UHFFFAOYSA-N 391.464 2.680 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14183061 OPRICZZCZGSQJA-UHFFFAOYSA-N 398.937 2.843 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)Cc1sccc1C 14141168 AZPXXSBQYXSRDF-UHFFFAOYSA-N 375.494 2.560 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)n2N)c1C 4536530 HVFZUDQIWUIMTN-UHFFFAOYSA-N 375.479 2.843 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 5439275 ULARBUFGWZPRHC-UHFFFAOYSA-N 387.461 2.827 0 40 GFAB CCn1nc(C(=O)Nc2nnc(-c3ccc(F)cc3)[nH]2)c2ccccc2c1=O 14247074 CTFOVIMSYAOOCC-UHFFFAOYSA-N 378.367 2.593 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2)N2CCCC2)cc1 8987383 ZDRBTMDWFIDSOF-OAQYLSRUSA-N 395.503 2.768 0 40 GFAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cncc(Br)c1 6916152 CTFGNTLUZDTEAR-JTQLQIEISA-N 381.230 2.806 0 40 GFAB Cc1ccc(NC(=S)NCCc2ccccc2)cc1S(=O)(=O)N(C)C 7155536 DDWIDRFSNOOYAQ-UHFFFAOYSA-N 377.535 2.774 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 7688968 AGPPKPYQMUBUQJ-FNORWQNLSA-N 385.372 2.871 0 40 GFAB Cc1nnnn1-c1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 71279477 BKISJPAMJGIFNA-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB O=C(Nc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)CCC2CC2)C1)C1CCCC1 96000398 IUKBGUFPUVYFEO-INIZCTEOSA-N 394.541 2.848 0 40 GFAB CCN(CC)c1ncc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)s1 89969116 BOWVSMKYXSTAQL-UHFFFAOYSA-N 390.557 2.958 0 40 GFAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 78815068 FHVSQIUVSFDFKH-UHFFFAOYSA-N 377.344 2.507 0 40 GFAB Cc1cc(C)cc(NC(=O)C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 79101328 HJVOQJDFBOTVCE-KRWDZBQOSA-N 381.480 2.924 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc(C)n(C)n1 95998431 GDNJCXUYNJGRFG-LJQANCHMSA-N 379.464 2.745 0 40 GFAB CC(=O)NCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 12585026 JBPBBYOXIQFEGS-UHFFFAOYSA-N 399.457 2.554 0 40 GFAB CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 408546632 GHMZUPUXPKVMAZ-UHFFFAOYSA-N 387.505 2.574 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218458465 QQVRVMRWEQUOJG-ZJOUEHCJSA-N 387.501 2.758 0 40 GFAB O=C(NCCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1F 36360972 HZVUXFCQQXWLAU-UHFFFAOYSA-N 385.439 2.874 0 40 GFAB COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(F)cc3)n2)c1 223652211 TXVZGSKTWHHCBX-UHFFFAOYSA-N 391.424 2.846 0 40 GFAB CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1Cc2ccccc2CN1 567980045 KORQCMBGPJEKBY-QFIPXVFZSA-N 378.520 2.861 0 40 GFAB CN(c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1)S(C)(=O)=O 222894973 SEGRTHFHZFWUOZ-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCCCCC1 222825147 KHOGLDSCFKLNMD-UHFFFAOYSA-N 394.537 2.815 0 40 GFAB COCc1nn2c(ncc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccccc1 40396464 FKCWZHSQGYHCHA-UHFFFAOYSA-N 392.415 2.722 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)c1 222643239 ANVIXGLFGRAIEL-UHFFFAOYSA-N 376.463 2.809 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc21 225683655 DLFIWNDSWVOMEZ-UHFFFAOYSA-N 398.893 2.611 0 40 GFAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220467867 KZGRDKMJSAGNEV-AWEZNQCLSA-N 396.509 2.889 0 40 GFAB O=C(c1ccc(C(F)(F)F)cc1)N1CCn2nnc(COCC3CC3)c2C1 96084276 UZOWRPUUWOXLFN-UHFFFAOYSA-N 380.370 2.880 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCn3cnc4ccccc43)[nH]n2)cc1OC 96232009 JLLPOYRVGKGQAS-UHFFFAOYSA-N 391.431 2.874 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)c2cncnc2)n1 257246483 IUHHGWHAKAWAOT-QGZVFWFLSA-N 378.436 2.776 0 40 GFAB CC(C)[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)c1nnc2ccccn12 623545486 OVDZLDZIDAVTED-NJAFHUGGSA-N 380.452 2.651 0 40 GFAB COc1ncc(NC(=O)Nc2cc(Cl)c(OC)cc2OC)c(N(C)C)n1 96121377 BMFVYDWYIODSBY-UHFFFAOYSA-N 381.820 2.866 0 40 GFAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 585293109 WZJPMUUPKBFFIP-VGMNTSGFSA-N 380.496 3.095 0 40 GFAB COc1cccc(O[C@H]2CCN(C(=O)/C=C/c3csc(C)n3)CC[C@@H]2O)c1 585289453 GSVCOBIQLPRFKO-FNYRVFDFSA-N 388.489 2.904 0 40 GFAB Cc1cc(C)nc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585112395 PHNKXVPODUQINF-HXUWFJFHSA-N 376.460 2.987 0 40 GFAB O=C(CSC1CCCC1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 56903504 SNOLZAQBEGBMKS-UHFFFAOYSA-N 383.521 2.863 0 40 GFAB O=C1c2ccccc2CS(=O)(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 71185152 QHZOXZYWWJSTOO-UHFFFAOYSA-N 393.848 2.987 0 40 GFAB CCCCC(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914261 QSYDUPGEBJZONU-LLVKDONJSA-N 378.288 2.748 0 40 GFAB Nc1nc(N2CCOCC2)nc2nc3c(c(-c4ccccc4)c12)C(=O)CCC3 13637503 YGIIDYPLXWUEJK-UHFFFAOYSA-N 375.432 2.630 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)C[C@H](C)O1 14070786 OSTJCEOILDDHPC-KBPBESRZSA-N 392.452 2.876 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OC 14291949 WSPNRMIDZULTEB-UHFFFAOYSA-N 390.461 2.838 0 40 GFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CC1 14427566 FMMTWZHDGYUXTB-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB O=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCCc1ccccc1 15935470 UIOZJWIASWDAHK-UHFFFAOYSA-N 380.473 2.539 0 40 GFAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)CC(=O)NCc1ccco1 16340541 FWVYEXUCSKAEET-GFCCVEGCSA-N 383.370 2.874 0 40 GFAB NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccccn2)C1 19348450 MVWBTSNNRJLCNQ-HSZRJFAPSA-N 386.455 2.704 0 40 GFAB CC(C)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCC5)C4)nn3c(O)c2C1 19448069 QDUOPFMKJLOZNW-MRXNPFEDSA-N 397.523 2.708 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 19933307 QUHQBVSBGSYCDH-LJQANCHMSA-N 390.505 2.946 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)Cc2ccccn2)C1 12255508 VKJHLFBKVKGEHQ-AWEZNQCLSA-N 392.434 2.817 0 40 GFAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN([C@@H]1CCS(=O)(=O)C1)C3 12442540 KAKNKHATRFGPLG-OAHLLOKOSA-N 397.452 2.799 0 40 GFAB biogenic C[C@H](OC(=O)c1cnn(C)c1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 18348394 FZKFUMLLGUYFTA-ZETCQYMHSA-N 376.722 2.671 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCCCn1nc(C)cc1C 27508655 OCYTVMJKSCMJDS-GOSISDBHSA-N 388.537 2.558 0 40 GFAB COc1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H](c3ncon3)C2)c1 238859840 KLNSLCDGFPRJDD-QZTJIDSGSA-N 385.445 2.650 0 40 GFAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(Cl)c(Cl)c1 2037971224 BLDUPCCQLMNQNA-ZSYWTGECSA-N 382.287 2.503 0 40 GFAB COC(=O)[C@]1(CC2CC2)C[C@H](N2CCCC2)CCN1C(=O)c1ccc(C)nc1 2056223234 REVLYDAJILGTOP-KNQAVFIVSA-N 385.508 2.802 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1Cl 4314892 LLCSTSQKPLJBKS-LBPRGKRZSA-N 381.215 2.858 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1Cl 8961574 WQGHWMXNMSROOB-UHFFFAOYSA-N 396.852 2.614 0 40 GFAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3Cl)CC2=O)cc1 9037058 RTGFWDZIRXVBOB-AWEZNQCLSA-N 378.881 2.980 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(Cl)cc4)cnc32)cc1 10251453 FCWAICMATUQSPN-UHFFFAOYSA-N 379.807 2.928 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccco2)cc1 15391186 YLAJOQPIWZOGCM-HNNXBMFYSA-N 392.477 2.538 0 40 GFAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 16916559 INQYKONDDCEDFG-UHFFFAOYSA-N 381.251 2.769 0 40 GFAB O=C(c1cnn(-c2ccccc2)n1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974693 LQMABXCGPGOQBX-UHFFFAOYSA-N 389.337 2.585 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)NCc1nc(C2CCC(F)(F)CC2)no1 575616213 IYGOKLPQVFOPPD-UHFFFAOYSA-N 379.363 2.950 0 40 GFAB Cc1cccc(-c2noc([C@H](C)NC(=O)CCc3c(C)nc(N)nc3C)n2)c1 19665560 SJMMDWBPOOZUMM-AWEZNQCLSA-N 380.452 2.844 0 40 GFAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(C)CC3)c(O)n2n1 22468396 WUSPQRRNTCRFMG-CQSZACIVSA-N 377.901 2.795 0 40 GFAB O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2cccc(Cl)c2)CC1 4215426 FXZJKVODWNYPKK-UHFFFAOYSA-N 398.894 2.556 0 40 GFAB in-man O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N[C@@H]1COc2ccccc21 104793351 NDXJNBIEVLGUAW-HXUWFJFHSA-N 381.476 2.576 0 40 GFAB Cc1sc(CCN2CCCC2=O)nc1-c1ccc(NS(C)(=O)=O)cc1 30447922 ZWWXCXKHHGOCAG-UHFFFAOYSA-N 379.507 2.655 0 40 GFAB CCCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](C)c1ccccc1Br 59121738 LHIFMHVLMXDSFX-ZDUSSCGKSA-N 394.313 2.820 0 40 GFAB O=C(CNC(=O)NCc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 11201004 CVHMGEHAMNJJEK-UHFFFAOYSA-N 392.415 2.970 0 40 GFAB CCCc1nc2sc3c(N4CCN(CCO)CC4)ncnc3c2c2c1CCC2 20438541 SIVASTSUGGUINK-UHFFFAOYSA-N 397.548 2.795 0 40 GFAB CCc1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 3489927 ATRPOHIQSRSZPJ-UHFFFAOYSA-N 393.443 2.842 0 40 GFAB Cc1cc2cc(NS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2[nH]1 31721842 QUOSVILSPSZLRM-UHFFFAOYSA-N 393.490 2.527 0 40 GFAB NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)c1ccc2c(c1)OCO2 20523429 MGUUEKGNKUBSPZ-UHFFFAOYSA-N 382.401 2.967 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCn1c(=O)oc2ccccc21 7312332 ZOZUHKFIWBVKIQ-UHFFFAOYSA-N 387.823 2.735 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 7429733 AUAKKYJJBZEWFR-HNNXBMFYSA-N 384.407 2.923 0 40 GFAB CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 8732549 ZBGPZEUPVQOESP-AWEZNQCLSA-N 398.415 2.540 0 40 GFAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 11866895 PCCSQTIJPCBNTJ-ZHRRBRCNSA-N 385.460 2.942 0 40 GFAB biogenic COc1cccc([C@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)N(C)C)c1 52839198 WNDYDGTZQORLJJ-NRFANRHFSA-N 395.503 2.850 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CN(c1ccccc1C)S(C)(=O)=O 21975791 WGHOEFCBDMJHPX-UHFFFAOYSA-N 388.489 2.749 0 40 GFAB O=c1c(NCc2cccc(Cl)c2)c(N2CCN(c3ccccc3)CC2)c1=O 101699165 RYIPYFWMUBANOL-UHFFFAOYSA-N 381.863 2.875 0 40 GFAB CC(C)[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 53175008 AVRNDCUDVMAIIL-LJQANCHMSA-N 390.447 2.571 0 40 GFAB COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 24171323 SNDSGFCKAMAYJC-MRXNPFEDSA-N 376.884 2.911 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3Cl)n(Cc3ccccn3)cc2n(C)c1=O 61718393 FHYNONMARZJDED-UHFFFAOYSA-N 380.835 2.802 0 40 GFAB C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C(F)F 12529429 ANXGTDXBPGTOGB-LBPRGKRZSA-N 397.389 2.941 0 40 GFAB O=c1c2ccccc2nc(SCc2ccccn2)n1CCCN1CCOCC1 23763001 GFBWGVGLBNPGST-UHFFFAOYSA-N 396.516 2.806 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCOCC2)o1 24573445 OINOXRZVADTIOF-IBGZPJMESA-N 397.475 2.518 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 24831177 MGFLPWFOYRDKSV-CYBMUJFWSA-N 395.502 2.674 0 40 GFAB COC(=O)c1sccc1NC(=O)CN1CCC([C@H](O)c2ccccc2)CC1 25057155 SVNUEKGWOKNTOL-GOSISDBHSA-N 388.489 2.919 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)N3CCN(c4ccccc4O)CC3)c(C)n2n1 26527540 AUMNVAIDJKMWTH-UHFFFAOYSA-N 393.491 2.642 0 40 GFAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 48353541 QLUZTOQNRJGENS-AWEZNQCLSA-N 393.509 2.535 0 40 GFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 48333626 YVICTHXNCOAIDP-NZSAHSFTSA-N 394.537 2.551 0 40 GFAB COC(=O)c1ccc(CN(C)C(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 12867733 TUSLBJHPWZJWSA-UHFFFAOYSA-N 380.444 2.801 0 40 GFAB COc1ccc2c(c1)[nH]c1c(N3CCN(C(=O)c4ccco4)CC3)ncnc12 2220995 BCNFQLDNAMNWPV-UHFFFAOYSA-N 377.404 2.675 0 40 GFAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 3452952 BVPBSLLUTBPYLZ-UHFFFAOYSA-N 395.488 2.835 0 40 GFAB Cc1ccn2cc(C(=O)NCC(=O)Nc3ccccc3Br)nc2c1 8278439 NBRDBQFPKKSLJU-UHFFFAOYSA-N 387.237 2.774 0 40 GFAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1OC 13122448 APRDCPGMRJCOCG-OVCLIPMQSA-N 386.379 2.944 0 40 GFAB C[C@]12C(=O)N(CCc3ccc(F)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 4073282 NRPLWSITAUONDR-QHCPKHFHSA-N 391.446 2.992 0 40 GFAB biogenic CCn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 4304031 QXCLLGIOEPFBMX-UHFFFAOYSA-N 385.427 2.826 0 40 GFAB CCN(CC)CCN[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 22872548 UTYAJLNHQYIRLL-CQSZACIVSA-N 376.284 2.707 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1 5311893 LXKIFIIIVGPSMZ-UHFFFAOYSA-N 399.428 2.600 0 40 GFAB COc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1OC 4512224 PULFLZDUARFSKN-UHFFFAOYSA-N 388.445 2.609 0 40 GFAB CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 6587737 PUJUNCANAAXUDK-GXTWGEPZSA-N 388.497 2.639 0 40 GFAB Nc1ncnc2sc3c(c12)CCN(C(=O)CCc1ccc2c(c1)OCO2)C3 8747096 YZMVFMWAMUYFMP-UHFFFAOYSA-N 382.445 2.520 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O 6678976 CNSXLKOSEAWXGO-UHFFFAOYSA-N 377.853 2.845 0 40 GFAB CCn1c(=O)n(CC(=O)NCCCn2ccc3ccccc32)c2ccccc21 14701846 HLWZDILYGBPAAR-UHFFFAOYSA-N 376.460 2.984 0 40 GFAB CCCOc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OCC 14792417 LEUMDJOFHOLDCQ-UHFFFAOYSA-N 389.452 2.774 0 40 GFAB COCCn1cnnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 5701557 MDFPSLIZCGPUKU-UHFFFAOYSA-N 375.498 2.646 0 40 GFAB Cc1ccccc1-c1nc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 67105023 NTWQNLQWXFBPIY-QGZVFWFLSA-N 385.489 2.582 0 40 GFAB CCCCn1nnnc1CN1CCO[C@@H](c2ccc(Br)cc2)C1 69927497 SMXLIVBZOVEBGL-OAHLLOKOSA-N 380.290 2.809 0 40 GFAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](NC(C)=O)C(C)C)n2)cc1 7734924 PRAKOCOJLHFRKV-QGZVFWFLSA-N 388.493 2.545 0 40 GFAB COc1cc(C(=O)OCc2nnc(-c3ccccc3)n2C)cc(OC)c1OC 89741461 PQJKMWZMDAJTDS-UHFFFAOYSA-N 383.404 2.865 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)OCc1cn2cc(Cl)ccc2n1 19476952 SHBHVEBUMBBZSC-UHFFFAOYSA-N 390.852 2.857 0 40 GFAB O=C1CCCc2cc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)ccc2N1 89800345 KVYZUBNVWJFOOG-HNNXBMFYSA-N 384.461 2.661 0 40 GFAB C/C(Cl)=C\CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 26743712 XVOTWNGFBFPKMV-FMIVXFBMSA-N 390.896 2.901 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](Oc2cccnc2)C1 97015862 MEOKFFOUSQTXHR-NSHDSACASA-N 389.296 2.748 0 40 GFAB C[C@@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(OCc3cccnc3)c2)no1 97102690 CNDXZIJMYGNYHY-FZKQIMNGSA-N 394.431 2.659 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ncn2)n1 23144335 IKKRBOOYZLNYAP-UHFFFAOYSA-N 396.882 2.895 0 40 GFAB COc1ccc(CCc2nc(NC(=O)c3n[nH]c4ccccc34)n[nH]2)cc1OC 79482835 JHZLIGPWYCLVOR-UHFFFAOYSA-N 392.419 2.736 0 40 GFAB COc1cccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 22276453 RXQOXBCIKOYAED-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408560267 ODYQKCSBJLFJJQ-NSHDSACASA-N 398.868 2.663 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 32863257 WIWLJNDNNKHLMK-SJLPKXTDSA-N 379.526 2.590 0 40 GFAB CC(=O)NCCN(Cc1cc(=O)c(O)co1)Cc1ccc(Cl)cc1Cl 502775406 PRHNVKUOQLHBQO-UHFFFAOYSA-N 385.247 2.791 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 36384378 YHXGYQKOYWFHJD-ALKREAHSSA-N 394.537 2.570 0 40 GFAB O=C(NCCCN1CCOCC1)c1cc2occc2n1Cc1ccc(F)cc1 36357997 UUWUDJVCYPZANI-UHFFFAOYSA-N 385.439 2.874 0 40 GFAB O=C(O)[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1cnc2onc(C3CC3)c2c1 514599621 HSBVTQFPCGVDAT-ZFWWWQNUSA-N 393.465 2.802 0 40 GFAB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1CN1CCOCC1 33908403 OKBPTBKLGNOHKQ-LCYFTJDESA-N 383.267 2.775 0 40 GFAB CC(C)CN1C[C@@H](C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)CC1=O 523373690 CYCGXHBCVRCBHR-SFHVURJKSA-N 395.507 2.682 0 40 GFAB CSCC[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21)n1cccc1 524730457 JTNYRPCTEIOVMA-XDNAFOTISA-N 375.538 2.642 0 40 GFAB biogenic O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306140322 UPRKFLVGQDOYPL-LSDHHAIUSA-N 385.899 2.518 0 40 GFAB Cc1ccc2[nH]c(C(=O)NC[C@@H]3C[C@H](F)CN3c3ccnc(N(C)C)n3)cc2c1 527479383 DLRIZQGQFHDTKN-HOTGVXAUSA-N 396.470 2.679 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 409204494 HZXMRXXHDUZZGD-UHFFFAOYSA-N 380.441 2.778 0 40 GFAB COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc2c1CC[C@@H](C)C2 33426653 RRHGPTPKUSBNTC-UPJWGTAASA-N 380.510 2.707 0 40 GFAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 35290741 TYJALOIJVRGZMA-MRXNPFEDSA-N 390.919 2.758 0 40 GFAB COc1cc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)cc(OC)c1OC 72403498 QJCHWMLCDSWUME-UHFFFAOYSA-N 395.415 2.575 0 40 GFAB O=C(O)C1=NO[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]12 1565504905 DRPGYQWKFDAHIP-FUHWJXTLSA-N 378.384 2.707 0 40 GFAB CC(C)COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 32666573 SJXQDJPNAQRAOG-CQSZACIVSA-N 392.315 2.951 0 40 GFAB Cc1ccc(-n2c(CNS(C)(=O)=O)nnc2SCc2ccccc2)cc1 35315158 TXIMMMSCJCNUIK-UHFFFAOYSA-N 388.518 2.917 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccnn1C)N(C(=O)c1cccnc1)CC2 72342697 SQAWTKXTUUPJEJ-FQEVSTJZSA-N 378.432 2.620 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218458231 QQVRVMRWEQUOJG-SVFBPWRDSA-N 387.501 2.758 0 40 GFAB Cc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013291 UVPSGDBIVDIHEK-UHFFFAOYSA-N 385.493 2.991 0 40 GFAB FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NC2CCCCC2)n1 226009273 DMDZADUNXQXVHD-UHFFFAOYSA-N 389.447 2.951 0 40 GFAB COc1ccc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1Cl 223684982 GUVROSLUISVBKI-UHFFFAOYSA-N 386.901 2.731 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 223122149 NQNJYFRMBKIAFV-KUHUBIRLSA-N 388.489 2.653 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CC[C@@H](N2CCc3ccccc3C2)C1 225688101 KEJALSHYUBWBFW-MRXNPFEDSA-N 378.444 2.786 0 40 GFAB COc1ccc(O[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 45403158 RGGYQVDEZWZPTI-CYBMUJFWSA-N 375.421 2.805 0 40 GFAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(-c4ccccn4)cc3)CCN12 96269145 HESOXJWMZLMUNN-OAQYLSRUSA-N 392.503 2.849 0 40 GFAB biogenic,in-vitro O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCc2ccccn2)Oc2ccccc21 247508062 RZRXQZIPABIJGK-OLMRKFRDSA-N 377.444 2.653 0 40 GFAB CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@H]1CNC(=O)c2ccccc21 585123555 WXFWPAQLNONIMB-MGPUTAFESA-N 387.867 2.926 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)c1 528887077 SIKPVQPEEPHCJF-UHFFFAOYSA-N 398.488 2.926 0 40 GFAB O=S(=O)(Cc1cc(F)cc(F)c1)NC[C@](O)(c1ccoc1)c1cccs1 253471174 BJXCRJDDVZNSFF-KRWDZBQOSA-N 399.440 2.975 0 40 GFAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257338660 YYJOGOXYKNIKRY-IBGZPJMESA-N 392.503 2.888 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)c(C)c1 260832568 KOJKWAQUCJNIDE-YWZLYKJASA-N 386.473 2.859 0 40 GFAB O=C1Cc2c(C(=O)N3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)ccnc2N1 606444479 VPCPNXXSYOXRFD-LLVKDONJSA-N 380.379 2.876 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)CCc3c(C)noc3C)ccc21 96103535 UQGAFJQXQBUUGG-UHFFFAOYSA-N 391.493 2.965 0 40 GFAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)n1 575402571 CMBUCTMZOGLJNM-ICSRJNTNSA-N 396.512 2.997 0 40 GFAB Cc1csc(Nc2cc(C3CN(C(=O)/C=C/c4ccnn4C)C3)nc(C)n2)n1 585292015 IFSCIUYPDXAHNC-SNAWJCMRSA-N 395.492 2.666 0 40 GFAB O=C(Cc1ccccc1O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111650 ZGMUXLNJQWVLCK-FQEVSTJZSA-N 377.444 2.610 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1cccc(N2CCOC2=O)c1 56963788 KZZGHGBKXDKRQA-HNNXBMFYSA-N 391.427 2.775 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)C1 72341390 OOCFCZPUMHNSHJ-DGADGQDISA-N 397.470 2.712 0 40 GFAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 96374601 PZVMCDZMQRJRKK-UHFFFAOYSA-N 389.521 2.607 0 40 GFAB C[C@H](Sc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 5273215 WXDZCORPUBMETR-INIZCTEOSA-N 390.530 2.700 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c1C 12767295 OFOBRJIAGMZXRR-INIZCTEOSA-N 395.459 2.562 0 40 GFAB Cc1cc(=O)c(C(=O)N[C@@H]2CCOc3ccccc32)nn1-c1ccccc1F 12777384 VESGGIRVZIYXGJ-MRXNPFEDSA-N 379.391 2.934 0 40 GFAB COc1cc(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 12876683 MRMGJDDWLODYIT-OAHLLOKOSA-N 379.840 2.758 0 40 GFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580851 NTCGUXNQEMBOHF-ZIAGYGMSSA-N 386.489 2.540 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)NCc1nnc2ccc(C(F)(F)F)cn12 14245212 DSONOBDCPOQFJC-UHFFFAOYSA-N 390.365 2.932 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)c2cccnc21 19021802 UHOYGJLSXARWBP-QGZVFWFLSA-N 381.455 2.696 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(-c4cccs4)no3)C2)cc1 19211604 VHVQJBZZISWROW-AWEZNQCLSA-N 391.474 2.869 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)N1CCC(c2nnc3n2CCCCC3)CC1 19293942 QFBYPVBDCOFSRT-UHFFFAOYSA-N 392.500 2.853 0 40 GFAB CC(C)c1cc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)nc(=O)[nH]1 19452487 YULAMKVNOPEIPG-UHFFFAOYSA-N 398.463 2.537 0 40 GFAB COc1ccccc1N1C[C@H](NC(=O)[C@@H](C)Cn2cnc3ccccc32)CC1=O 19457751 ROBIQISYPFMCRV-JKSUJKDBSA-N 392.459 2.603 0 40 GFAB CCOc1cc2c(cc1CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3ccccn3)C1)OCO2 19532511 WXCCUYVVRTVTTH-JIGPKXGUSA-N 382.460 2.939 0 40 GFAB COc1ccc([C@@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C2CC2)cc1 19662553 ZVOHOIUUVRKVQS-NRFANRHFSA-N 380.492 2.723 0 40 GFAB CNC(=O)c1cnc(C)nc1CCNC(=O)c1cccc(Oc2ccccc2)c1 19697287 OWSJWSZGKAMNFG-UHFFFAOYSA-N 390.443 2.909 0 40 GFAB Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@@H]4CCCN(C)C4)C3)cc12 19711000 SFJAWUVUXAUEDZ-OAHLLOKOSA-N 378.480 2.533 0 40 GFAB Cc1nc2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)cc2n1C 527251337 IPWAZLBIVQMOIC-GOSISDBHSA-N 392.459 2.731 0 40 GFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1 12365490 CGEKRRHBYCPYMR-UHFFFAOYSA-N 394.475 2.509 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@]1(O)CCCc2sccc21 1889152048 CYPGKRFVLLNSDA-GOSISDBHSA-N 381.519 2.876 0 40 GFAB Cn1cccc1C(=O)NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 35399809 UTFACFVYCNNVAG-FQEVSTJZSA-N 379.485 2.991 0 40 GFAB COc1ccc(-c2ncnc(N3CC(N(C)CC4CCOCC4)C3)c2F)cc1 1776009080 UDRKPUPWKJWBOE-UHFFFAOYSA-N 386.471 2.838 0 40 GFAB CC(C)(C)c1cc(C(=O)NC[C@H]2COCCO2)n(Cc2ccc(F)cc2)n1 2037846153 RXGRPALZDDACLG-INIZCTEOSA-N 375.444 2.513 0 40 GFAB O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056224126 JZFCQYYSGWBDIE-GYFYOVFLSA-N 396.535 2.645 0 40 GFAB O=C(Nc1ccc(Cl)cc1)Nc1nc(CC(=O)N2CCOCC2)cs1 9625681 HYNOOZWURLOLNB-UHFFFAOYSA-N 380.857 2.842 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCCCn2nc(-c3ccco3)ccc2=O)cc1 13799861 SGDSEJXIJYHGBK-RVDMUPIBSA-N 399.472 2.792 0 40 GFAB COc1cc(C[C@@H]2CC(CN3CCCCCC3)=NO2)c(OC)c2c1OCO2 15085876 VNDUAOKBTMOHMM-MRXNPFEDSA-N 376.453 2.996 0 40 GFAB Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NCCN3CCOCC3)nc21 21928464 YLEVLSMYNHOLDD-UHFFFAOYSA-N 387.875 2.504 0 40 GFAB O=S(=O)(CCOc1ccccc1)NCCn1ccc(-c2ccsc2)n1 225578317 IWBFPZTYMYZVDH-UHFFFAOYSA-N 377.491 2.610 0 40 GFAB Cc1nc(-c2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc2)no1 42380479 DXLOZPSIYVOAMI-UHFFFAOYSA-N 385.374 2.681 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CCc2csc3nc(C)cn23)n1 49422452 JHLIGILAEPCMFA-UHFFFAOYSA-N 378.479 2.838 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3ccnc(C)n3)C2)cc1OC 575609566 NCFWYRVFSKTJPV-UGAXZCSASA-N 383.448 2.885 0 40 GFAB CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2OC)n2nc(SC)nc2N1 8843498 RICCVDQPOLWKRW-CQSZACIVSA-N 390.465 2.869 0 40 GFAB Cc1oc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1S(=O)(=O)N1CCCC1 40142318 VMBDXNQEIGPMCY-ZBFHGGJFSA-N 398.525 2.698 0 40 GFAB COc1cccc(NC(=O)N[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 20112639 MLJYZOQWPQJOFA-IBGZPJMESA-N 385.420 2.741 0 40 GFAB biogenic C[C@@H](OC(=O)COc1ccc2ccc(=O)oc2c1)c1nc2ccccc2c(=O)[nH]1 10990652 VXRMWRVQBFSJJN-GFCCVEGCSA-N 392.367 2.713 0 40 GFAB O=C(Nc1cc2c(cc1Cl)OCO2)c1cccc(N2CCCS2(=O)=O)c1 11172767 VNPSLJGIHBEIIR-UHFFFAOYSA-N 394.836 2.861 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)CCN2C(=O)COc3ccccc32)c1C 8030806 OUGNGBNYEFPSQJ-UHFFFAOYSA-N 395.459 2.516 0 40 GFAB COc1ccc(-c2cc(=O)c3c(OC)cc(OCC(=O)O)cc3o2)cc1OC 1489883 BCPQOBQIVJZOFL-UHFFFAOYSA-N 386.356 2.949 0 40 GFAB investigational CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 8164826 HETKHLQXEDOSDO-AWEZNQCLSA-N 384.461 2.870 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OCC)c1 2779910 ZFRADCKUZMYEJX-INIZCTEOSA-N 376.434 2.614 0 40 GFAB O=C1N(c2ccc(Br)cc2)Cc2nc(=O)n(Cc3ccccc3)n21 32074349 SVPXLYCDIOSKTM-UHFFFAOYSA-N 385.221 2.844 0 40 GFAB CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc(Cl)c1O 6958716 JXVACXCFVAPPFH-WDZFZDKYSA-N 387.866 2.819 0 40 GFAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)=O)c(OCC)c2)C1=O 6960144 QIELNHWNETTWET-OQLLNIDSSA-N 393.417 2.610 0 40 GFAB COc1cccc(CNn2nnnc2N)c1OCc1ccc(Cl)cc1Cl 7602425 UJBCZVNHMXORED-UHFFFAOYSA-N 395.250 2.893 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)nc2n1 7988634 UACRBXOLGFJHQY-UHFFFAOYSA-N 394.218 2.843 0 40 GFAB CCCc1sc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1CC 8077483 NHZDTACUGYXLCH-UHFFFAOYSA-N 380.535 2.883 0 40 GFAB CC(=O)NCCc1ccc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 8449520 YNTZLOSHJGFHCY-UHFFFAOYSA-N 378.428 2.815 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F)c1ccc(F)cc1 8810810 PQJCBVWTRRBWEX-CQSZACIVSA-N 396.415 2.674 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(C)n1C[C@H]1CCCO1 2657791 MNRGNVHIDNPVRC-IERDGZPVSA-N 399.443 2.850 0 40 GFAB CC(C)CCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccccc1F 2626302 TZFBFJLDSSAHGT-UHFFFAOYSA-N 384.395 2.541 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(N(C)C)cc1 11919198 KHHIMYYNRIZNGS-OAHLLOKOSA-N 394.475 2.589 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NCc3ccccc3Cl)c2)C1=O 12002824 JYDJCLYBSWYAMQ-LBPRGKRZSA-N 392.864 2.583 0 40 GFAB COC(=O)c1c(NC(=O)C(=O)NCc2cccc(F)c2)sc2c1CCCC2 2733760 BESNNHYKSRIAHH-UHFFFAOYSA-N 390.436 2.808 0 40 GFAB CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21 1007339 KTQXHMCTPUMOBD-KRWDZBQOSA-N 375.222 2.671 0 40 GFAB CC(=O)c1ccc(O[C@H](C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 23642117 PDVZVBBABDQBRR-GOSISDBHSA-N 388.508 2.808 0 40 GFAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12508462 VXXNMQOWRTXJNR-LLVKDONJSA-N 395.510 2.523 0 40 GFAB COc1ccc([C@@H]2CCN(C(=O)NCCn3c(=O)oc4ccccc43)C2)cc1 106565801 WLEJTBXRVYQXHU-MRXNPFEDSA-N 381.432 2.802 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 20451474 QAOSAAXYTQLVKV-FQEVSTJZSA-N 398.459 2.964 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)COc2ccc(F)c(Cl)c2)c1 25240193 UUHXWATYGWLLNJ-UHFFFAOYSA-N 386.832 2.546 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 56082543 NIJHTNFIFJRAKL-MRXNPFEDSA-N 381.432 2.539 0 40 GFAB COc1ccccc1S(=O)(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 56059628 RSIYOCJOLIRBBW-KRWDZBQOSA-N 377.462 2.732 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O 12522868 ZYAMCIUKPCYCLB-NYHFZMIOSA-N 377.444 2.876 0 40 GFAB CCn1nc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c2ccccc2c1=O 57058266 OTZSWCOUJVVAAO-HNNXBMFYSA-N 394.450 2.812 0 40 GFAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O 57486080 HNJFPIZHMUTZCK-UHFFFAOYSA-N 399.516 2.630 0 40 GFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(OC(F)F)cc1 57851802 YDYVAMOQFLIJGC-UHFFFAOYSA-N 377.391 2.754 0 40 GFAB CCCC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2098863 RMHCEHNMVCAJHD-HNNXBMFYSA-N 375.421 2.721 0 40 GFAB biogenic CCOc1ccc([C@@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232553 RNSPEBKNCHBDFS-GOSISDBHSA-N 387.403 2.929 0 40 GFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccccc1OC 44902317 GHOMGLRUUXNUGF-IBGZPJMESA-N 387.480 2.742 0 40 GFAB CN1C[C@H](C(=O)OCc2cc(Br)ccc2OC(F)F)CC1=O 58309917 GAKXEGCHYJJABU-MRVPVSSYSA-N 378.169 2.572 0 40 GFAB COC(=O)c1ccccc1NC(=O)COc1cc(C)nc(N2CCCCC2)n1 21360293 HIEYQAHHRBQQGQ-UHFFFAOYSA-N 384.436 2.579 0 40 GFAB O=C(Nc1ccnn1C1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 48342880 MVYVDVOXADJZSY-CYBMUJFWSA-N 382.420 2.719 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc3c2CCCC3)cc1 13004311 LOVBNNZKJUZTCP-CQSZACIVSA-N 388.489 2.880 0 40 GFAB COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cc(C)ccc2OC)cc1 13196194 YEWNKBYJUGBLOQ-HNNXBMFYSA-N 379.434 2.507 0 40 GFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1OC 13100873 NYJRAXNBSKQKEW-VNHYZAJKSA-N 379.453 2.810 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1C 39660858 TWBKNYVSBSENHA-UHFFFAOYSA-N 392.477 2.620 0 40 GFAB CCCCNC(=S)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6334649 XAQIFAOQVGBJIM-UHFFFAOYSA-N 391.562 2.821 0 40 GFAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 14162181 RUCQYMFFPOITNU-SFHVURJKSA-N 386.473 2.725 0 40 GFAB CCOc1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 4776476 HCWLUXZZVSVLNP-UHFFFAOYSA-N 376.478 2.528 0 40 GFAB O=S(=O)(c1cccc(CSc2nc3ccccc3[nH]2)c1)N1CCOCC1 5628487 AXDDOSNJLDNEKP-UHFFFAOYSA-N 389.502 2.876 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1F 22227380 GCBZRNOQFXBHCY-UHFFFAOYSA-N 394.443 2.722 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCc3cc(Cl)c4c(c3)OCCCO4)nc2n1 7082509 RDARVFVROLFFTH-UHFFFAOYSA-N 388.811 2.913 0 40 GFAB C[C@@H](CC(=O)NCc1cccs1)CC(=O)N1CCN(c2ccccn2)CC1 18251028 ZBLGBQLZJCRHOZ-INIZCTEOSA-N 386.521 2.524 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CNC(=O)c1ccc2ccccc2c1 7737695 LLUMUSSDMIDLEK-UHFFFAOYSA-N 393.418 2.806 0 40 GFAB C[C@@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1ccc2c(c1)OCO2 7737170 CCUANWMGRNUSQW-SECBINFHSA-N 389.458 2.843 0 40 GFAB CCn1nc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c2ccccc2c1=O 8806171 QSNAXBAIHRTPOT-UHFFFAOYSA-N 383.379 2.659 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7905872 NEVLZBZHOAHECF-UHFFFAOYSA-N 392.506 2.837 0 40 GFAB O=C(COc1ccccc1F)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 8917350 WANWNBWWEVKXLZ-OAHLLOKOSA-N 395.427 2.560 0 40 GFAB CCN(CC(=O)Nc1cc(C)ccc1OC)C1CN(C(=O)OC(C)(C)C)C1 84765557 SZBQWDFLDCQNLN-UHFFFAOYSA-N 377.485 2.883 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cnn(-c3ccccc3)c2)c1 9905455 NADJJFQTYHLMDF-UHFFFAOYSA-N 375.432 2.824 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 408616809 BEFVRJBAJZGIOZ-INIZCTEOSA-N 390.505 2.940 0 40 GFAB CC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1 408563578 OKBTYAQSWCNUSO-AEFFLSMTSA-N 389.249 2.936 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccccc2Cl)Oc2ccccc21 38857440 HINHDXSWSZQBRL-KRWDZBQOSA-N 394.880 2.574 0 40 GFAB CN(C)CCNC(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 72356283 NOOOEOVDSISAFS-HXUWFJFHSA-N 379.504 2.714 0 40 GFAB COc1ccc(C)cc1NC(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70637986 MHSRREHRDSZYBR-UHFFFAOYSA-N 392.463 2.834 0 40 GFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(SC)cc2)cc1OC 224979853 DUQIURVCHPZPQJ-UHFFFAOYSA-N 397.474 2.706 0 40 GFAB COc1cc(NC(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc(OC)c1 224142139 IRNLDICNQALJBV-UHFFFAOYSA-N 386.456 2.804 0 40 GFAB CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(C)c1 224634485 BIYVLULZSAJAEH-UHFFFAOYSA-N 377.462 2.934 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(OC(C)C)c2)cc1 46656151 UYPVCKCIXTZPPY-UHFFFAOYSA-N 390.505 2.719 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 96903933 FIRCNUMGFTTXGC-IAGYGMIVSA-N 398.846 2.722 0 40 GFAB CC(C)CC(=O)N1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145483 NAWDLGNDNSLXFV-RTBURBONSA-N 378.538 2.528 0 40 GFAB COc1ccc2c3c1O[C@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 253504323 FNIFBBNFYMIPEZ-REAOZQTLSA-N 395.499 2.895 0 40 GFAB biogenic,in-vitro CCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1Cl 257228561 FUHGWGAYGBIXFA-APWZRJJASA-N 377.916 2.850 0 40 GFAB Cc1ncc(C(=O)N2CCC(c3cnc(-c4c(C)noc4C)cn3)CC2)cn1 257235339 GXJXZXJCBODJIU-UHFFFAOYSA-N 378.436 2.867 0 40 GFAB NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2)cc1 591120770 LRCLTZFJIVXOHM-LJQANCHMSA-N 389.411 2.534 0 40 GFAB CC(C)n1nccc1[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 637636947 HCVPNIBDNQRANB-YZGWKJHDSA-N 396.491 2.715 0 40 GFAB N[C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 652375125 JGTQWIWMVUIYCT-LNSITVRQSA-N 393.336 2.900 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2)C1=O 8088268 LIKRVEPEGNSDET-LDADJPATSA-N 379.416 2.789 0 40 GFAB CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OC)[C@H]1O 5063447 BUDDROUPGITIJO-QMCAAQAGSA-N 388.460 2.536 0 40 GFAB CC1=C[C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)c3cccs3)N2c2ccc(C)cc21 13655701 NJXWMPDQQFJXCZ-BGTYHANMSA-N 378.453 2.802 0 40 GFAB C[C@@H]1CN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C[C@@H](C)O1 17325535 QUOFNDRSLMOCPU-HUUCEWRRSA-N 380.444 2.852 0 40 GFAB C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 19497316 RNFROKGSDUWJRJ-HZPDHXFCSA-N 396.491 2.679 0 40 GFAB COc1ccc(CCc2nnc(NC(=O)c3cc4c([nH]c3=O)CCC4)s2)cc1 19554726 WCBRFAUNOFEATN-UHFFFAOYSA-N 396.472 2.761 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 19590688 JZWAORRFHRBBQM-UHFFFAOYSA-N 396.491 2.502 0 40 GFAB O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 19657785 LZFUQKJXQGBODL-CYBMUJFWSA-N 392.385 2.881 0 40 GFAB Cc1nn(C)cc1-c1csc(NC(=O)Cn2c(C)nc3ccccc3c2=O)n1 19715236 SMPONYADKPSDPC-UHFFFAOYSA-N 394.460 2.509 0 40 GFAB Cc1cc(N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)nc(C)n1 19749777 IIOIWRNJHCGQFY-LJQANCHMSA-N 388.537 2.914 0 40 GFAB CC1CCN(C(=O)COc2coc(CN3CCc4ccccc43)cc2=O)CC1 4304319 IADOBQZQBBHNLE-UHFFFAOYSA-N 382.460 2.840 0 40 GFAB COc1cc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)ccc1O 19550048 XBGWXWYDMKQYGJ-OAHLLOKOSA-N 376.478 2.579 0 40 GFAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C(=O)Nc1cc(F)ccc1F 245053517 OXWGVKXEXFNKTJ-SFHVURJKSA-N 392.383 2.610 0 40 GFAB Cc1ccncc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988667 CSEVGSYRIDUKID-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C4CCCCC4)nc32)cc1 4518729 TWZOVPQJIHKEFN-UHFFFAOYSA-N 381.436 2.654 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)c1 9038537 JDSDKZCSYRTUPW-KRWDZBQOSA-N 390.480 2.770 0 40 GFAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ccnc(C(F)(F)F)c4)C[C@H]3O2)n[nH]1 2055772025 RSVQQALVMKVFOC-CYZMBNFOSA-N 381.358 2.519 0 40 GFAB CCc1ccc(OCCOC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 22466171 FHXXZKLLCIRCJO-QHCPKHFHSA-N 398.547 2.823 0 40 GFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)NCc1cccs1 206804047 NZAGAIULQBJGSC-DOMZBBRYSA-N 378.425 2.792 0 40 GFAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CCS(=O)(=O)C1 40030842 HQKQSTOQAROTBX-LLVKDONJSA-N 376.459 2.607 0 40 GFAB COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCN(C)C 2430854 KELKBGVWLZDJKC-IBGZPJMESA-N 378.428 2.908 0 40 GFAB COc1ccc(C(=O)Cn2c(=O)n(C(C)C)c(=O)c3sccc32)cc1OC 32090642 MKSQFLKDESXYJL-UHFFFAOYSA-N 388.445 2.706 0 40 GFAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 4888754 VJOQCCAXSGEVGU-UHFFFAOYSA-N 376.453 2.717 0 40 GFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 6108221 BOAAODSQUVXQKZ-JOCHJYFZSA-N 392.411 2.554 0 40 GFAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccc2c(c1)OCO2 7981854 OIWLBAZRXJBQSR-NSHDSACASA-N 389.791 2.613 0 40 GFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC1CCN(C(=O)c2ccco2)CC1 11530685 VHRAAULVHUSJFR-KRWDZBQOSA-N 399.472 2.504 0 40 GFAB CCOc1ccc(NC(=O)COc2ccc(N(CC)S(C)(=O)=O)cc2)cc1 10010012 JATKJCYYLLSKCO-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CCOc1ccc(CN(C)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1 8376982 DQNMNBPLILFFOF-UHFFFAOYSA-N 385.420 2.594 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1OC 32771278 JLABBTMIEYTGEV-SFHVURJKSA-N 381.425 2.605 0 40 GFAB CN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 52559218 IFFQSZNVSIMOPX-HOCLYGCPSA-N 395.345 2.669 0 40 GFAB CN(Cc1cccs1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32981516 GUDWABZIUZDCCM-OAHLLOKOSA-N 378.519 2.807 0 40 GFAB O=S(=O)(NCCN1CCCN(CC2CCCCC2)CC1)c1ccccc1 52833850 TVYUBWKSDZPMJT-UHFFFAOYSA-N 379.570 2.553 0 40 GFAB COc1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 2631832 RMHJAIVXMGIAMK-UHFFFAOYSA-N 398.444 2.778 0 40 GFAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 738232 FGKOAFVYBQLZNX-UHFFFAOYSA-N 376.478 2.910 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@H]3C2=O)cc1 2787388 VVVXZNLHLIXOLA-DLBZAZTESA-N 397.822 2.580 0 40 GFAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCS[C@@H]1c1ccccc1F 8328336 OJYIYCMFVNPXMJ-MRXNPFEDSA-N 391.468 2.654 0 40 GFAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2 850340 WFYHAKOLBICHEZ-KRWDZBQOSA-N 390.189 2.591 0 40 GFAB COc1ccc([C@H](C)NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1F 58309919 DVCVAQGVWUYKSK-ZDUSSCGKSA-N 391.443 2.656 0 40 GFAB Cc1cc(C(F)F)nn1Cc1nc2c3cnn(-c4ccccc4)c3ncn2n1 2809041 QOQUJMUGJLXKLV-UHFFFAOYSA-N 380.362 2.954 0 40 GFAB O=C(c1ccccc1N1CCCC1=O)N1CCN(CCOc2ccccc2)CC1 23995745 KLXMVVITIDSFRK-UHFFFAOYSA-N 393.487 2.650 0 40 GFAB C[C@@H](Oc1cccc(F)c1)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 24862602 DSCZHFBKSNPHTA-CRAIPNDOSA-N 391.464 2.809 0 40 GFAB CN1CC[C@@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@H]1c1ccccc1 107540589 JOCCCRMUZJUWLX-YLJYHZDGSA-N 377.448 2.626 0 40 GFAB COc1ccccc1CCNC(=O)CSc1nncn1-c1ccccc1OC 8565704 RTAPWQIKMVVVNI-UHFFFAOYSA-N 398.488 2.736 0 40 GFAB COc1cc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)cc(OC)c1OC 1787465 OKSIHBMJNHNOHM-UHFFFAOYSA-N 393.823 2.839 0 40 GFAB CCN(CC(=O)Nc1cc(C)ccc1OC)Cc1nc2ccccc2c(=O)[nH]1 57449899 GOJDUESTCLASRX-UHFFFAOYSA-N 380.448 2.701 0 40 GFAB CON(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 12548438 RYCMOIOKEUAILR-UHFFFAOYSA-N 399.266 2.883 0 40 GFAB O=C1C[C@H](c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)N2NC=NC2=N1 409376708 AEZFAPDRGDTARY-MRXNPFEDSA-N 397.822 2.533 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Br)cn2)C1=O 57807171 GSRGZXRMWGKYBZ-LLVKDONJSA-N 390.237 2.987 0 40 GFAB Cn1cc(CN2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306124928 CCNFSACTTOBDFD-HKUYNNGSSA-N 385.514 2.904 0 40 GFAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCC(=O)NC(C)C)cc12 7116284 DNNSTADNISITDW-UHFFFAOYSA-N 388.468 2.848 0 40 GFAB COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1Cl 2252593 YIIHFRPYNPJWIF-UHFFFAOYSA-N 396.896 2.868 0 40 GFAB Cc1ccc2nc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)sc2c1 12784527 TXGLJWDQNNBXBZ-NSHDSACASA-N 390.494 2.501 0 40 GFAB COC(=O)C[C@@H](NC(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1 48240643 OUKVIXUYRARLRC-GOSISDBHSA-N 382.464 2.654 0 40 GFAB COc1ccc2c(=O)c(C(=O)Nc3ccc(N4CCCC4=O)cc3)c[nH]c2c1 48271985 CDOUZMIJXBOYIG-UHFFFAOYSA-N 377.400 2.916 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2ccccc2)ns1 48355483 HJWJKJRWOKWBHM-UHFFFAOYSA-N 382.445 2.972 0 40 GFAB C[C@H](Sc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)c1cccc(F)c1 48364748 GMXYFLDDLYEQML-SWLSCSKDSA-N 378.473 2.867 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 8366766 IZYWOUPEWPVWJK-UHFFFAOYSA-N 381.411 2.646 0 40 GFAB Cc1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cn1 15641775 LNSZEQGWSHFVNL-UHFFFAOYSA-N 379.386 2.808 0 40 GFAB CC(=O)Nc1cccc(-n2nnnc2SCC(=O)c2cc(F)ccc2F)c1 12972614 BRLIHFVKLZUKCV-UHFFFAOYSA-N 389.387 2.874 0 40 GFAB COc1ccc(CN(C(=O)c2ccccc2OC)[C@@H]2CCS(=O)(=O)C2)cc1 4182922 PBRXRDHAQNDLFS-MRXNPFEDSA-N 389.473 2.533 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 26955211 OARUJFQTMPTTCR-LJQANCHMSA-N 393.531 2.905 0 40 GFAB COc1cc2c(cc1/C=C/C(=O)N1CCN(c3ccccn3)CC1)O[C@@H](C)C2 7782335 KNSKYTNGMNSPQA-MOEXGYKKSA-N 379.460 2.776 0 40 GFAB O=C(NCc1cccs1)[C@@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 62022903 FVSWMFIKZQUCQI-OAHLLOKOSA-N 383.477 2.722 0 40 GFAB CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)N3CCOCC3)c2CO1 5205452 QEHZEDZEGNETNH-UHFFFAOYSA-N 399.516 2.946 0 40 GFAB CCOc1cc(-c2nnn(CC(=O)Nc3ccc(F)cc3F)n2)ccc1OC 13990277 UBRHSKFYNWDVRQ-UHFFFAOYSA-N 389.362 2.664 0 40 GFAB O=C(NCCCCn1ccnc1)c1occc1CS(=O)(=O)c1ccccc1 65592297 MTKXETNARPQKDN-UHFFFAOYSA-N 387.461 2.660 0 40 GFAB O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)N1CCNC1=O 6589505 YXQNJDNCVYSTAQ-UHFFFAOYSA-N 388.836 2.942 0 40 GFAB C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc2c(c1)OCCO2 6516607 DCHMRXQBOWLMOX-NSHDSACASA-N 383.429 2.814 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 6623294 SGFNGNVLXLKMAQ-UHFFFAOYSA-N 380.491 2.580 0 40 GFAB CCc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 6886658 IXVNMDPQUGUNPY-UHFFFAOYSA-N 393.436 2.628 0 40 GFAB CCOc1cccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 22391641 DSMZUHXSQHRCSE-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc3c2OCO3)c1 89942315 WTCUBRPERAETNQ-ZDUSSCGKSA-N 390.461 2.886 0 40 GFAB COc1ccc(F)cc1CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 9368685 YKWXYCRCXSJQNW-UHFFFAOYSA-N 398.481 2.543 0 40 GFAB Cc1nc2c(c(C)c1CCC(=O)Nc1ccc3ncccc3c1)c(=O)[nH]n2C 72301575 VRVZGCNUHPKSPC-UHFFFAOYSA-N 375.432 2.998 0 40 GFAB O=C(O)C[C@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 97696035 BKOYMQGIPOZEQC-JTQLQIEISA-N 376.272 2.535 0 40 GFAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CSC[C@@H]1C(=O)NCC1CC1 95393380 RQCDZJJDBBWIKA-QFBILLFUSA-N 388.533 2.933 0 40 GFAB Cn1ccc2c1CN(C(=O)c1ccncc1)Cc1cn(Cc3cccnc3)nc1-2 306133593 MQJHQFPXCTXPLF-UHFFFAOYSA-N 384.443 2.883 0 40 GFAB O=C(O)[C@@H]1CCCCCC[C@H]1NS(=O)(=O)c1cnc2onc(C3CC3)c2c1 514599620 HSBVTQFPCGVDAT-UKRRQHHQSA-N 393.465 2.802 0 40 GFAB O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2nc(-c3cncnc3)sc2C1 72392024 CEACKIOMAYOGPO-UHFFFAOYSA-N 380.355 2.541 0 40 GFAB COCC(=O)N1CCC(c2nccnc2Oc2ccc(NC(C)=O)cc2)CC1 72362286 DJWSFNDJYUBPNO-UHFFFAOYSA-N 384.436 2.580 0 40 GFAB COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2cccnc2)C[C@H]1C(C)C 30881331 GDAWMWROHFQBPY-UFYCRDLUSA-N 387.524 2.705 0 40 GFAB biogenic,in-vitro CN(CCCN(C)Cc1ccccc1)CCCn1nnc2ccccc2c1=O 31806917 LGFZSUSQZJNGFQ-UHFFFAOYSA-N 379.508 2.636 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 37021524 QZGRVPSQIBJOLA-HUUCEWRRSA-N 388.489 2.828 0 40 GFAB CCc1cc(N2C[C@H](C(=O)OC)CC2=O)cc(C)c1I 45889701 VMRFLSDVBKATJB-LLVKDONJSA-N 387.217 2.688 0 40 GFAB CCOc1ccc(NC(=O)CN2CCc3[nH]c4ccccc4c(=O)c3C2)cc1 48988351 GKUBOPIXFGIQTG-UHFFFAOYSA-N 377.444 2.924 0 40 GFAB Cc1ccc(SCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 222681417 UAPDSONAWQWTMI-SFHVURJKSA-N 392.546 2.836 0 40 GFAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CN2CCOCC2)cc1 224132767 SFPQXXSMRQNVAS-UHFFFAOYSA-N 394.515 2.997 0 40 GFAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCc3ccncc3)ccc21 223263943 FDYNKZPXKNSVLM-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCOCc2ccccc2)cc1Cl 224412464 UNBGGFDRPIZZAW-UHFFFAOYSA-N 382.869 2.658 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 222993071 NEPXRHIFGOFNON-HNAYVOBHSA-N 378.538 2.804 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 223414313 GBMIYVRWOPVBTO-GOSISDBHSA-N 388.439 2.767 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)s1 224260988 AWMGQOXRZYMYOZ-SCRDCRAPSA-N 392.506 2.566 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)cc1 77200846 GTJMIGBBRSWHGP-YXBWYFRISA-N 375.446 2.522 0 40 GFAB COc1ccc(-c2[nH]nc(C)c2CC(=O)Nc2cccc(-n3cnnn3)c2)cc1 95472611 HYRKCJSLWHPISN-UHFFFAOYSA-N 389.419 2.551 0 40 GFAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccs3)C2)c1 96227629 WLNBFPYKBDAKME-IEBWSBKVSA-N 390.530 2.774 0 40 GFAB C[C@H](CCc1ccc(F)cc1)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 248014197 KDXXDUOKVIYSRM-PZPWOCDFSA-N 389.471 2.764 0 40 GFAB Cc1ccsc1CN1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 253599564 RGLHAVARKKIRQN-HNNXBMFYSA-N 378.519 2.520 0 40 GFAB COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1CN1CCOCC1 257342480 ZOVRUTGMXNUDDH-YVNJGZBMSA-N 388.508 2.662 0 40 GFAB COc1cccc(CNC(=O)NCc2nnc3ccc(-c4cccs4)nn23)c1 253473930 ZYCIRLYBOXXWFU-UHFFFAOYSA-N 394.460 2.861 0 40 GFAB CC(C)n1nccc1-c1ccc(C[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1 257215698 CRGRHFUGXOLZHJ-QGZVFWFLSA-N 391.541 2.587 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1OC 257228264 FTEZYUVDFUFHQM-NQIIRXRSSA-N 387.524 2.597 0 40 GFAB Cc1nonc1CC(=O)N1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257248434 JDRRKWMUSKVNLO-HNNXBMFYSA-N 381.436 2.679 0 40 GFAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)n1 257306332 STVVEADEIIMYAG-OAHLLOKOSA-N 386.843 2.962 0 40 GFAB CN(C)CCOc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 257305309 SPIVKUUVXPTEPA-GMAHTHKFSA-N 398.503 2.672 0 40 GFAB CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)cc1 260772952 XRKMREHVVSVRTQ-MOPGFXCFSA-N 390.505 2.895 0 40 GFAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3cccs3)[C@@H]3OCC[C@H]32)c1 585109368 MALDEAUCLDYCOJ-OTWHNJEPSA-N 384.501 2.911 0 40 GFAB COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O)OCO2 5007713 FHNYDQDKPWSSSY-MKMNVTDBSA-N 393.417 2.802 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)N3[C@H](C)CCC[C@H]3C)C2)cc(OC)c1OC 5030928 NSTZUTOUKFVZJS-VFVRVIDISA-N 376.453 2.995 0 40 GFAB COc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1OC 5439208 LCOAMCABSFLTEO-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C1(C)C 12186049 UNNVXXLUQLPZLR-WBVHZDCISA-N 384.476 2.769 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 12989301 JJBCMNYIZACFIO-UHFFFAOYSA-N 395.459 2.969 0 40 GFAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3cccs3)cc21 13364476 LQWFOKBCQDSMJJ-UHFFFAOYSA-N 398.488 2.541 0 40 GFAB O=C(Cc1ccccn1)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19401291 MXDSBEOVSNCBIL-UHFFFAOYSA-N 390.472 2.823 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)cn1 19525045 BYYXDTFLPNRSBZ-CYBMUJFWSA-N 393.494 2.849 0 40 GFAB CCOc1ccc([C@@H]2CCCN2C(=O)CNc2ccc3nnc(C)n3n2)cc1 19719226 OETATNQWNMLKTC-KRWDZBQOSA-N 380.452 2.607 0 40 GFAB CC(C)(C)c1ccc(OCC(=O)NCCN2CCOCC2)c(Br)c1 19920497 ZBNHBCHIFGRFGZ-UHFFFAOYSA-N 399.329 2.574 0 40 GFAB O=C(C1CCOCC1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147551 PFIGETMIGXEYPP-UHFFFAOYSA-N 399.466 2.715 0 40 GFAB Cc1sc2nc(COC(=O)CNC(=O)C3CCCCC3)nc(N)c2c1C 10395931 UCBYGEPNFMASRD-UHFFFAOYSA-N 376.482 2.630 0 40 GFAB O=C(c1onc2c1CCCC2)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888890107 RLHHTIRUQQZQPL-RNODOKPDSA-N 386.427 2.804 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C)cn3)C2)cc1F 238861418 KTELLQCNDCIPNN-CQSZACIVSA-N 380.441 2.770 0 40 GFAB CCOc1ccc(-n2nnc(-c3nc(-c4ccc(OC)cc4)no3)c2N)cc1 5043185 NHEWDQTWYQCBAD-UHFFFAOYSA-N 378.392 2.974 0 40 GFAB CCCNC(=O)Cc1csc(SCC(=O)Nc2ccc(OC)cc2)n1 8851327 URQBWSBMLZEIGG-UHFFFAOYSA-N 379.507 2.951 0 40 GFAB COc1cccc(NC(=O)NCc2nnnn2-c2ccc(C)c(C)c2)c1OC 9571326 PSQQTIUZYFIXJA-UHFFFAOYSA-N 382.424 2.618 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)N1CCCCCC1 9761947 CRLRHFSJRISALX-UHFFFAOYSA-N 387.914 2.946 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 13792450 PYFQUHRKUXWVEE-AWEZNQCLSA-N 383.470 2.702 0 40 GFAB COC(=O)N1CCN(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 44227073 GHBJJCHOLGSFIW-UHFFFAOYSA-N 393.915 2.652 0 40 GFAB Cc1cc2nn(CC(=O)Nc3cc(F)ccc3C)c(=O)n2c(-c2ccccc2)n1 49407064 TWRMDXILTODLBA-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB O=C(NCc1cccs1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147100 HONBPURXTRLRBV-LLVKDONJSA-N 383.271 2.664 0 40 GFAB CCC(CC)NC(=O)CN1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 40086179 TULZAZJGMCPKFS-KRWDZBQOSA-N 399.539 2.644 0 40 GFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)cn2)n1 40088985 LKJZBDFIDWOPAU-MRXNPFEDSA-N 393.447 2.968 0 40 GFAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1C[C@@H](C)O[C@H](C)C1 20263154 HCVYXPXPOUKNBC-VXGBXAGGSA-N 377.416 2.531 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)NCc1nc(C)cs1 40422608 IANODJLGFSFSTP-UHFFFAOYSA-N 377.285 2.701 0 40 GFAB COc1ccc(NC(=O)[C@H](Sc2nc(N)nc(N)n2)c2ccccc2)cc1 11233942 BOZPKRAVIWULKT-CQSZACIVSA-N 382.449 2.517 0 40 GFAB COc1cc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc(OC)c1 7919959 MHUGQYDGXUZYEP-AWEZNQCLSA-N 397.431 2.808 0 40 GFAB CCn1nc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)c2ccccc2c1=O 31415970 YOXKYHGKBYJULM-UHFFFAOYSA-N 398.850 2.781 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(C)cc2)cc1 100773636 PMGMAXXAGFTQNO-HBMCJLEFSA-N 391.471 2.929 0 40 GFAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Cl)cc3)cc2c1 1366744 UAHKUNHJBOSZLW-UHFFFAOYSA-N 386.835 2.825 0 40 GFAB C[C@H]1C(=O)[C@@]23[C@H]4[C@H]5C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@H]1[C@]4(CCC[C@@]1(C)CO)CO5 4268227 SPKBKHBTOCOHGF-WAGRFISCSA-N 390.520 2.935 0 40 GFAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O 4849449 KHRZAIRDFARWRK-UHFFFAOYSA-N 384.461 2.521 0 40 GFAB O=C(CN(CCc1ccccc1)C(=O)c1csnn1)NCc1ccc(F)cc1 4964910 XBJALXHKEOOKDG-UHFFFAOYSA-N 398.463 2.679 0 40 GFAB Cc1c(NC(=O)c2ccc(NC(=O)CC#N)cc2)c(=O)n(-c2ccccc2)n1C 6542927 LVJQCFSWDWGVFA-UHFFFAOYSA-N 389.415 2.589 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCC(C)CC3)s2)c1 6817790 YXNKTPBYQSWMJO-UHFFFAOYSA-N 380.495 2.519 0 40 GFAB COCCCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 10612493 HTSRZDVYRCXVRN-UHFFFAOYSA-N 375.498 2.528 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(Br)cc1 102440313 RTLJAUTWTNNUJP-OKILXGFUSA-N 379.254 2.953 0 40 GFAB NC(=O)CNC(=O)c1cccc(NC(=O)CSc2ccc3ccccc3c2)c1 32915630 DCHJSOWAFBTWLO-UHFFFAOYSA-N 393.468 2.786 0 40 GFAB CC(C)(C)C(=O)NCCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 42659089 IRTTYWAVDAAZQM-UHFFFAOYSA-N 379.932 2.973 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1 20762765 GQRBZPRMONGSLV-GOSISDBHSA-N 377.404 2.771 0 40 GFAB biogenic O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]1c1nnc2n1CCCCC2 54537031 VTUSOCUYWHJERC-HNNXBMFYSA-N 382.436 2.809 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)NC1CCCCCC1 43175730 HWXYUWUFOMIXBX-UHFFFAOYSA-N 381.498 2.552 0 40 GFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccccc1)c1nccn1C 24972639 TUJYPRKYJUYFHF-QFBILLFUSA-N 392.459 2.941 0 40 GFAB O=C(Cc1ccsc1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8132063 ARXXPNNJSCCOQQ-UHFFFAOYSA-N 391.452 2.817 0 40 GFAB Cc1cc2nc(SCC(=O)N[C@H](C)CCc3ccccc3)n(C)c(=O)c2[nH]1 57521490 QIAMXPQTCGURJG-CYBMUJFWSA-N 384.505 2.800 0 40 GFAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)C)cc1 12661056 HFTTWJOZPDZNPT-IWQHBPENSA-N 390.476 2.976 0 40 GFAB biogenic C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@H](C(F)(F)F)C1 36007382 RGAVDKGZPNDWIC-UWVGGRQHSA-N 389.443 2.937 0 40 GFAB CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 58226027 AUZJJYXCQCBJPN-QGZVFWFLSA-N 388.489 2.928 0 40 GFAB Cc1ccccc1CSc1nc(=O)n([C@@H]2CCS(=O)(=O)C2)c2c1CCC2 27795604 OJCDOCXEZLCUHS-OAHLLOKOSA-N 390.530 2.692 0 40 GFAB C[C@H](C(=O)NCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 113958041 DFILKDYIHPVZIV-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB O=C(Nc1ncn(Cc2ccccn2)n1)[C@H]1CCCN(Cc2ccccc2)C1 58332606 HJKMEVSEWPQKRL-SFHVURJKSA-N 376.464 2.572 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 48234884 AKCQCZDUWKOAIV-OAHLLOKOSA-N 391.427 2.967 0 40 GFAB CC(C)C[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 12819933 IBGNUCMQTZPIEI-IBGZPJMESA-N 376.522 2.865 0 40 GFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 3459192 CGMIQVZNHUBXJZ-XCLFUZPHSA-N 375.444 2.579 0 40 GFAB CCCc1ccc(N2C[C@H](C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2=O)cc1 12986117 CJYCKZQUKQVCIS-GOSISDBHSA-N 397.519 2.509 0 40 GFAB COc1ccc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2C)cc1 3567058 WCOPNZQLDBCYMY-UHFFFAOYSA-N 385.474 2.852 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 3517544 WDDOFDFZFONIAT-IZZDOVSWSA-N 388.464 2.680 0 40 GFAB Cc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c(-c3ccccc3)n2)cc1 13005759 RYWGSHGOMGIFHO-UHFFFAOYSA-N 390.487 2.910 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCCSCc1cccs1 8350728 PDDVFLRVJIEUBH-UHFFFAOYSA-N 376.503 2.913 0 40 GFAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NCc5ccncc5)nc4c3c2C1 13207203 KKPIFXRNZCXISU-LLVKDONJSA-N 378.461 2.789 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 5245007 DQTRBJHMQWXCGE-UHFFFAOYSA-N 396.878 2.789 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC 6384219 HCPCSOBGABZMNJ-UHFFFAOYSA-N 396.443 2.630 0 40 GFAB C[C@H](C(=O)NCCSCc1ccccc1F)N1C(=O)c2ccccc2C1=O 17604237 JLRBFNKQQWJNSE-CYBMUJFWSA-N 386.448 2.860 0 40 GFAB Cc1ccc(Cn2nccc2NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cc1 14226405 RJYOXSMBLZZIFT-INIZCTEOSA-N 390.443 2.992 0 40 GFAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N1CC[C@H](N2CCCC2)C1 66190129 KHCSRXFCEAJKGP-WBVHZDCISA-N 378.467 2.671 0 40 GFAB O=C(O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3c(c21)CCCC3 6764466 TZSNIQJZJCMQLQ-UHFFFAOYSA-N 390.848 2.831 0 40 GFAB Cc1nc(Cc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)cs1 5834439 OITCKILTKNGJNN-UHFFFAOYSA-N 390.446 2.885 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)c1 15088601 QDHBAWDTIWAIDP-UHFFFAOYSA-N 395.381 2.547 0 40 GFAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)NC(C)(C)CC)c2C)C1 69973816 RTQUBPAYAHXFHL-UHFFFAOYSA-N 398.511 2.582 0 40 GFAB COc1ccc(-c2nnn([C@@H](C(=O)N3CCCC3)c3ccccc3)n2)cc1OC 8708430 XRTCPFCFZMSLPL-LJQANCHMSA-N 393.447 2.569 0 40 GFAB COc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC 7420506 WHYRARVCDOAFBK-UHFFFAOYSA-N 376.434 2.698 0 40 GFAB COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 9236429 VMFPANLEKBVJOC-DLBZAZTESA-N 381.461 2.993 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCN(C)CC2)cc1 174020185 HJLJVSGDBRMSGA-UHFFFAOYSA-N 387.505 2.620 0 40 GFAB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c1 96012514 FQGCUJRWQVXWIU-IBGZPJMESA-N 387.461 2.764 0 40 GFAB O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1ccccc1 19792824 WHYINFJGTPOWOW-UHFFFAOYSA-N 395.890 2.824 0 40 GFAB C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)N1CCC(Cc2ccccc2)CC1 9596643 XJYUTHHUPFWZSK-QGZVFWFLSA-N 391.475 2.911 0 40 GFAB O=C([C@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCOCC1 9575940 UDXJZMDZDIQZFF-CQSZACIVSA-N 392.864 2.668 0 40 GFAB O=C(NCCCNC(=O)c1csc(Cc2ccccc2)n1)c1ccc(O)cc1 89840348 UHJCMZCXIFWEDD-UHFFFAOYSA-N 395.484 2.989 0 40 GFAB Cc1c(C(=O)O)cnn1-c1ccc(C(=O)Nc2ccc(-n3nccn3)cc2)cc1 95389807 ZALXIVWELGBAGD-UHFFFAOYSA-N 388.387 2.712 0 40 GFAB CCN(C(=O)c1ccc(OCc2ccccc2)nc1)[C@H](C)CS(=O)(=O)CC 84760672 QZHZRQQIJDDFAX-MRXNPFEDSA-N 390.505 2.946 0 40 GFAB COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3noc(C)n3)c2C)c1 95999881 UUDWOLVAAJLRAP-GOSISDBHSA-N 383.452 2.763 0 40 GFAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 66737990 XDPBDTCVBDWTBA-UHFFFAOYSA-N 384.567 2.735 0 40 GFAB Cc1nc2c3ccccc3nn2c(C)c1CCc1nc(Cc2cncn2C)no1 545843971 ZISUHMWRVAIXPA-UHFFFAOYSA-N 387.447 2.992 0 40 GFAB CCc1ccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nn2)N(C)C)cc1 32734322 LRIWRJQWXWUYRM-NRFANRHFSA-N 377.492 2.922 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)NCc2cccnc2)o1 35597458 IJZANPJVQOFQAB-UHFFFAOYSA-N 393.371 2.684 0 40 GFAB COC(=O)c1ccccc1C1=NC2=S(O1)OC(c1ccccc1C(=O)OC)=N2 3844443 UHPWBGLQDIYISJ-UHFFFAOYSA-N 398.396 2.700 0 40 GFAB biogenic COc1ccc(-c2c3cnn(C(C)C)c3nc3c2sc(=O)n3CC(N)=O)cc1 79473845 DLGMBLZKFZXMBV-UHFFFAOYSA-N 397.460 2.550 0 40 GFAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc(I)cc1 39956959 YEZLGSBLNCEULA-JTQLQIEISA-N 377.178 2.942 0 40 GFAB COC(=O)C[C@H](c1cc(Cl)cc2c1OCOC2)c1c(O)cc(C)[nH]c1=O 72404593 SKJKLEZQBVLPHN-GFCCVEGCSA-N 379.796 2.604 0 40 GFAB CN(c1ccccc1)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1 44888562 ZXILIJAIVFTETO-UHFFFAOYSA-N 393.447 2.749 0 40 GFAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 40284273 YSVJXNCBRDSQFZ-UHFFFAOYSA-N 396.834 2.559 0 40 GFAB O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1nc(=O)c2ccccc2[nH]1 521169017 HFWMLGQLVAIMSV-CYBMUJFWSA-N 398.413 2.596 0 40 GFAB CCN(Cc1ccccc1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224500969 GUPXYIZSPOHBSI-UHFFFAOYSA-N 378.469 2.636 0 40 GFAB CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)C2)CC1 568601369 SQYMFDJZNJTBKN-QWFCFKBJSA-N 386.540 2.709 0 40 GFAB COCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 224056550 IUMBSBMAEQEQQS-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB COc1ccccc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)cc1 225162682 XKLHSGNKEPJYKM-HNNXBMFYSA-N 383.853 2.665 0 40 GFAB COc1ccc2nc(C[C@H]3CN(C4CCOCC4)CC[C@H]3CC(=O)O)[nH]c2c1 514289427 TXSMETWKTDDGMS-GJZGRUSLSA-N 387.480 2.706 0 40 GFAB biogenic,in-vitro Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2ccc(F)cc2F)n1 96120830 BTUDWIWDQKOOGE-UHFFFAOYSA-N 382.436 2.532 0 40 GFAB COc1ccc(CN2CCC3(CC2)C[C@@H](NC(=O)c2ccccn2)CO3)cc1 96221074 SDLWMGBLIGFFLY-GOSISDBHSA-N 381.476 2.644 0 40 GFAB O=C1CN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)Cc2ccccc2N1 582736392 WLNKGDBNODBFBP-JTQLQIEISA-N 378.354 2.514 0 40 GFAB COCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C(=O)N(C)C 96146506 MTJYZPZUIXAAJI-UHFFFAOYSA-N 382.464 2.912 0 40 GFAB O=C(c1cnc2ccccc2c1)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1 96075561 BPEQGNLDTATMLY-JPYJTQIMSA-N 395.503 2.578 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCCCC1)NC2=O 247912847 AHJAKLFIJVEYSA-CAAIWKOSSA-N 384.476 2.962 0 40 GFAB Cn1cc(CN2CCO[C@@H](C(F)F)C2)c(-c2ccc3c(c2)OCCCO3)n1 585080719 ZXSXJFVFXKYUPJ-QGZVFWFLSA-N 379.407 2.714 0 40 GFAB Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257211021 BXDLZVYZVIWDOI-SHTZXODSSA-N 396.451 2.764 0 40 GFAB O=C(NCc1ccccn1)c1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 655746060 LVDRBWGVMZWLAQ-NRFANRHFSA-N 380.492 2.677 0 40 GFAB COc1ccccc1CC(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1 12129220 VXVRKXKBOZDAIX-UHFFFAOYSA-N 393.443 2.918 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12145263 QYAIQUCCRDNFBK-ZIAGYGMSSA-N 379.464 2.711 0 40 GFAB Cn1cc(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c2ccccc21 19290411 ZQEGZWRFPZIOFY-NRFANRHFSA-N 389.503 2.910 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1 19456721 AKIORJJYSHVMQL-ZDUSSCGKSA-N 383.452 2.628 0 40 GFAB COc1cc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc(OC)c1OC 19549932 KKROMYGPJHNORL-UHFFFAOYSA-N 384.388 2.895 0 40 GFAB CCn1cc(CN2CCO[C@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)cn1 19693615 IWTOJGHQIGZPMO-NRFANRHFSA-N 391.475 2.637 0 40 GFAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 4564729 ZLNZRCWBLMLRRM-JMIUGGIZSA-N 396.487 2.792 0 40 GFAB CC(C)c1cc(C(=O)NCc2cc(O)n3nc(-c4ccncc4)cc3n2)on1 100744415 ZOYHMNAGXGLTCR-UHFFFAOYSA-N 378.392 2.538 0 40 GFAB Cc1cnc(-c2nc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)no2)cn1 12187448 JAZZLTQSGLACHH-UHFFFAOYSA-N 381.411 2.923 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(N(C)C)cc5)C[C@H]4C3)n1)CCC2 1888890250 RRGKIGDKPYMEOU-HDICACEKSA-N 391.519 2.548 0 40 GFAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(C)cn2)C3)cc1OC 1889205650 YOKHZAJVBLDZBD-GJZGRUSLSA-N 391.493 2.766 0 40 GFAB O=C(Cn1cnc2ccccc21)NCc1nnc2ccc(-c3cccs3)nn12 245026651 NEZPJZBJCMGHIC-UHFFFAOYSA-N 389.444 2.519 0 40 GFAB CCCN(CCC)CCCNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 4479631 YBRNECUXSSJWJA-KRWDZBQOSA-N 390.528 2.612 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2cccs2)c1 4569689 NUANGOZAKYJVJX-HNNXBMFYSA-N 378.519 2.948 0 40 GFAB COc1ccccc1NC(=O)CSc1nnc2ccc(-c3cccnc3)nn12 5168432 FPMBDXOLMLTRBF-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)CCc2ccc(Cl)cc2)C1 2055771503 DBNSGQACTOVWAX-FQEVSTJZSA-N 388.899 2.575 0 40 GFAB O=C(/C=C/c1cccs1)N1CCc2ccc(=O)n(CC3CCOCC3)c2CC1 2055773009 JIYSDZLSCJKDGC-GQCTYLIASA-N 398.528 2.977 0 40 GFAB COc1nccnc1N(C)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 1775974426 GOJMGANSTRELEE-UHFFFAOYSA-N 379.464 2.955 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCOCC1 23181836 WAMFODUFQJYLLB-CXAGYDPISA-N 384.498 2.628 0 40 GFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)Cc2ccccc2Cl)CC1 43986693 XDJUHSYSATUKPK-UHFFFAOYSA-N 392.912 2.711 0 40 GFAB CCOc1ccccc1NC(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575611966 JEBKKEHBWLCURI-UHFFFAOYSA-N 394.428 2.999 0 40 GFAB CN1c2cnc(NC(=O)Nc3ccccc3)nc2-c2sccc2S1(=O)=O 19894247 DGAXDBMUWXUIAA-UHFFFAOYSA-N 387.446 2.988 0 40 GFAB CN1CCc2nc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)sc2C1 24615774 KJHZUVUBMNSUQR-UHFFFAOYSA-N 379.869 2.737 0 40 GFAB COc1cc2cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)[nH]c2c(OC)c1OC 40082810 HNEZBQWRGIBAML-UHFFFAOYSA-N 397.387 2.777 0 40 GFAB COc1cccc(NC(=O)N[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 20112636 MLJYZOQWPQJOFA-LJQANCHMSA-N 385.420 2.741 0 40 GFAB biogenic O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc2c(cc1Cl)OCCO2 10997907 MLAKXWCQRMDTKN-VXGBXAGGSA-N 392.839 2.615 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1F 45581059 IWQULALQWSOCKE-FQEVSTJZSA-N 398.482 2.562 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)c1C 3400900 GKTDLGJANOUESI-MRVPVSSYSA-N 390.387 2.929 0 40 GFAB COCCC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(OC)cc3)ccc(=O)n1C2 4237363 QVGLWUBKCWHFQQ-DOTOQJQBSA-N 382.460 2.506 0 40 GFAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)c1 32124048 UMGALNSCMOHUTB-HNNXBMFYSA-N 383.404 2.823 0 40 GFAB biogenic CCCOc1ccc(OCCOC(=O)CNC(=O)COc2ccccc2)cc1 8625550 XSFLTWLEPLOEMQ-UHFFFAOYSA-N 387.432 2.593 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CC(C)C)C(=O)O)ccc12 8856481 DDNWTLKITWNFPX-OAHLLOKOSA-N 375.421 2.658 0 40 GFAB biogenic CCC(CC)NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 32664966 KRZPRRQHKOJKBA-UHFFFAOYSA-N 375.391 2.760 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cc1F 102185484 LIWLHLXVFPKUMR-JTQLQIEISA-N 387.436 2.861 0 40 GFAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11859494 FRFJSBGXKYXTMP-UHFFFAOYSA-N 399.472 2.606 0 40 GFAB CC[C@H](C)NC(=O)CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 103608120 NGDLYNVUVUHUPB-HNNXBMFYSA-N 399.495 2.930 0 40 GFAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCc1ccccc1F 22777358 WATNBCBAZWHSEM-UHFFFAOYSA-N 381.904 2.975 0 40 GFAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1 883462 CBABFIAFRMOULS-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CCc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)s1 47123723 VIPARASTQYYYHH-NRFANRHFSA-N 397.500 2.926 0 40 GFAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O 29508967 VMDZLCRALFRATE-UHFFFAOYSA-N 389.260 2.579 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 24662775 WIUQHHFZTLVODT-IAGOWNOFSA-N 380.444 2.876 0 40 GFAB CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccccc1 22522826 GFQOVAPMFMZNCK-SFHVURJKSA-N 376.478 2.729 0 40 GFAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cnc21 25994774 JVVZKPJQOXHYSV-CYBMUJFWSA-N 386.477 2.907 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1cc(F)ccc1F 57486551 IEXKJLMHQNQHJP-UHFFFAOYSA-N 399.332 2.638 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(F)cc1 20014854 IZBLCESSPVBCSN-CQSZACIVSA-N 394.468 2.722 0 40 GFAB Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccc(-c4ccccc4)cc3)nn12 3364562 FCTJDRGJBZOQKZ-UHFFFAOYSA-N 387.399 2.895 0 40 GFAB CC(C)CCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 3333747 BOTCADMWRDFIQZ-UHFFFAOYSA-N 376.478 2.689 0 40 GFAB COC(=O)C1CCN(C(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 12790353 KPUCPLOKCPUWGI-UHFFFAOYSA-N 376.434 2.927 0 40 GFAB CC(=O)N1CCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)CC1 36360094 BXHWTQWEDFEKBW-UHFFFAOYSA-N 391.471 2.911 0 40 GFAB COc1ccccc1-c1nc(COC(=O)c2nc3nccc(C)n3n2)cs1 12865181 ZGTKSVSGAZAODM-UHFFFAOYSA-N 381.417 2.922 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 12902121 MPOUISHGXMNMBV-OAHLLOKOSA-N 398.459 2.852 0 40 GFAB Cc1nc(NC2CCN(S(C)(=O)=O)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 12998838 ZQKWDSRNPMOSDU-NSHDSACASA-N 394.566 2.960 0 40 GFAB C[C@@H]1CC(=O)c2c(OCC(=O)N3CCN(c4ccccn4)CC3)ccc(F)c21 12981363 FIZZQMNNQSRPHH-CQSZACIVSA-N 383.423 2.638 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(C)s2)ccc1Cl 3557771 ZYVPSZIJXSGAEA-UHFFFAOYSA-N 388.902 2.783 0 40 GFAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)NCc1ccc2c(c1)OCO2 3518177 OIMBKAANHVJVPD-LLVKDONJSA-N 393.342 2.878 0 40 GFAB O=C(O)Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 3641993 DGMYVPYSAYEVFE-YBEGLDIGSA-N 377.425 2.988 0 40 GFAB COc1ccc(CN2CCC(CNC(=O)CNC(=O)CC(C)(C)C)CC2)cc1 63262388 QFQVSQJWMPNAEQ-UHFFFAOYSA-N 389.540 2.576 0 40 GFAB COc1ccc(NC(=O)CSc2nc(Cl)nc3nc[nH]c23)cc1OC 13548479 UKKKMKDXSOBYAU-UHFFFAOYSA-N 379.829 2.754 0 40 GFAB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc2ccccc2c1O)c1ccccc1 6122054 NXIBCDBCOADWFU-GOSISDBHSA-N 378.384 2.899 0 40 GFAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cc(C)cc(C)c3)CC2)C1 306141714 WEMLZOVZWNULNZ-UHFFFAOYSA-N 383.496 2.777 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1)OCc1ccccc1 5295283 LIDRXEFRYBECOL-UXHICEINSA-N 382.460 2.819 0 40 GFAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 4621986 ZRVNTXZMMADLTI-UHFFFAOYSA-N 398.532 2.964 0 40 GFAB COC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 5571445 YOKGALSHUBXTCH-PWSUYJOCSA-N 382.869 2.883 0 40 GFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccs1 5638251 BWGYTLOCJFGWHT-UHFFFAOYSA-N 386.882 2.675 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccc(OC)cc1 4829950 UXUGQPBEVOHYQH-GFCCVEGCSA-N 384.461 2.970 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 4912458 GAFBRWOULLUWRJ-UHFFFAOYSA-N 379.464 2.533 0 40 GFAB CCCCNC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 5981070 ULZCXPNJLBHAKY-UHFFFAOYSA-N 393.487 2.679 0 40 GFAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708056 GLGSEJKQYMFXOK-UHFFFAOYSA-N 379.460 2.922 0 40 GFAB CCc1ccccc1NCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 9220815 RTFVRQXMSAFXOZ-UHFFFAOYSA-N 375.494 2.858 0 40 GFAB COC(=O)c1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 408628595 ZDYDNULOKCOQBL-UHFFFAOYSA-N 390.461 2.658 0 40 GFAB O=C(COC(=O)Cc1cccc(F)c1)NCc1ccccc1Br 72333760 NLTUHYITTJEBCA-UHFFFAOYSA-N 380.213 2.990 0 40 GFAB CC(=O)N1CCc2cc(C(=O)Cn3nc(-c4ccccc4F)ccc3=O)ccc21 72400627 RGUMTDPDBIFJIM-UHFFFAOYSA-N 391.402 2.841 0 40 GFAB CC(C)c1cc(NC(=O)C(=O)NC[C@@H](C)c2cccs2)n(-c2ncccn2)n1 95461401 XHSXHDMYRYQTEL-CYBMUJFWSA-N 398.492 2.706 0 40 GFAB CCc1nc(CC(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)cs1 95462394 IRHLVXLGNPXTHA-HNNXBMFYSA-N 396.310 2.696 0 40 GFAB COc1cc(C)c(S(=O)(=O)N[C@H](c2nccc(C)n2)C2CC2)cc1OC 95465288 DBMIMVJSAFFRSM-KRWDZBQOSA-N 377.466 2.540 0 40 GFAB NC(=O)CN1CCC(N[C@H](c2ccncc2)c2cccc(C(F)(F)F)c2)CC1 95466834 VCZJUGGDDLZPML-LJQANCHMSA-N 392.425 2.729 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1cnn(C)c1 95999265 BWSYJUUPHYBPFP-SFHVURJKSA-N 380.452 2.828 0 40 GFAB Cc1cccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1C 408733427 IYGMVSNIZWGMOH-MSOLQXFVSA-N 399.450 2.780 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cn2ccnc2)cc1 38831766 OXNZOOOOADLBMW-UHFFFAOYSA-N 390.487 2.694 0 40 GFAB Cc1cccc(C)c1NC(=O)C[C@H](CN1CCN(c2ccccn2)CC1)C(=O)O 61722099 RVJDLPAKDXKTAA-GOSISDBHSA-N 396.491 2.550 0 40 GFAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217469256 WXZODCYGRLQRDY-CQSZACIVSA-N 392.477 2.873 0 40 GFAB O=C(NCc1ccc(-n2cccn2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32925659 VZOKMKWCHUZWCR-FQEVSTJZSA-N 390.443 2.920 0 40 GFAB O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nc3ccccc3[nH]2)CC1 38556330 QRTVPKKKUZFQNB-UHFFFAOYSA-N 376.869 2.727 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1 33930306 YZLDNSLEWMORLE-UHFFFAOYSA-N 381.281 2.765 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)C(=O)O 32124364 NRIJKXQFZNYSEO-DIFFPNOSSA-N 392.477 2.985 0 40 GFAB biogenic Cc1cccc(C(=O)NCCC(=O)N[C@H](c2ccccc2F)c2nccn2C)c1 32842308 ALRYYJPAUUNFQJ-HXUWFJFHSA-N 394.450 2.893 0 40 GFAB COc1cc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)cc(OC)c1 44920217 LUHHHJAQRZHDQK-UHFFFAOYSA-N 387.465 2.996 0 40 GFAB O=C(CCc1nc(-c2cccnc2)no1)NCCN1CCCc2ccccc21 47924450 UUJLSEXTGWOZPD-UHFFFAOYSA-N 377.448 2.633 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 72389468 NPHMWTIVAWBHSW-UHFFFAOYSA-N 394.357 2.768 0 40 GFAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223053652 YEZOSBSBPAFDRY-OAQYLSRUSA-N 382.504 2.925 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCC(C)CC1 223236125 YQTLKLOYFLGEDB-UHFFFAOYSA-N 394.537 2.671 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(=O)N1CCC(C)CC1 225207765 IAWHMPDZWJMAGG-OAHLLOKOSA-N 382.526 2.890 0 40 GFAB S=C(NCc1ccc2c(c1)OCO2)Nc1nc(Cl)cc(N2CCCC2)n1 226013734 CQKCCWIAAXVZGU-UHFFFAOYSA-N 391.884 2.946 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CCc2ccc(OC)c(C)c2)s1 224879185 WPETUKKBTRNSQX-UHFFFAOYSA-N 381.479 2.692 0 40 GFAB CN(C(=O)Cc1ccc(-n2cnnc2)cc1)[C@@H]1CCCN(c2ccccc2)C1 569686442 HPZPJMGJXFGFSA-OAQYLSRUSA-N 375.476 2.937 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223275299 QFHOTSJLICVFDB-LSDHHAIUSA-N 388.489 2.828 0 40 GFAB COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224871201 IZYOZEKJROYYFQ-UHFFFAOYSA-N 393.461 2.851 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224156805 URPAIDRFYZMBKN-UHFFFAOYSA-N 394.468 2.807 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1 222685323 WCYGKPSLDVIEFI-MRVPVSSYSA-N 387.870 2.863 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1 225407550 HVZVBJBMEKDRPV-UHFFFAOYSA-N 398.937 2.911 0 40 GFAB O=C1NCC[C@]12CN(Cc1cccnc1)CC21CCN(Cc2cccs2)CC1 96036339 SJJSUWJEDSXIOZ-QFIPXVFZSA-N 396.560 2.747 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1cc(F)cc(F)c1)C2 96238140 ZXSWBQKUTIKQOL-IBGZPJMESA-N 391.443 2.590 0 40 GFAB Cc1nn(C)c(C)c1CN(C(=O)C1CCN(C2CCOCC2)CC1)C(C)C 97532641 OURXFCUIHHECBR-UHFFFAOYSA-N 376.545 2.665 0 40 GFAB Cc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)o1 96036951 KSNHPZPDJXHXIE-UHFFFAOYSA-N 380.496 2.622 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Cn2cncn2)cc1 96343786 PHUGHAGFTUTILT-UHFFFAOYSA-N 388.431 2.524 0 40 GFAB O=C(COc1coc(CN2CCCCC2)cc1=O)N1CCc2ccccc2C1 96222800 UPTVWCWTFWHKEZ-UHFFFAOYSA-N 382.460 2.589 0 40 GFAB biogenic O=C(Cc1ccsc1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 247867680 PFTUWOLCEQFHAV-HNNXBMFYSA-N 376.453 2.911 0 40 GFAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)COC)CC1 257233817 GQVVCAWRKOEPDZ-UHFFFAOYSA-N 386.517 2.959 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)N[C@@H](C(=O)O)c1ccccc1 590410699 ZLGZZJVWXBRXFY-HXUWFJFHSA-N 383.400 2.753 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H]3CCCn4ccnc43)cc2)C1 655695285 WGEULZZEIPLZFI-QFBILLFUSA-N 388.537 2.928 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)c2cn(C[C@@H](O)c3ccco3)nn2)cc1 390828309 QBMGMVMTJHTDNE-QGZVFWFLSA-N 398.419 2.814 0 40 GFAB CN(C)c1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)cc1 390829608 FJAKXRZZMDFPHG-INIZCTEOSA-N 399.472 2.862 0 40 GFAB COc1ccc2cc(C(=O)NCc3nnc4n3C[C@H](C(F)(F)F)CC4)[nH]c2c1 390829606 FJACUKUKFDEHPQ-LLVKDONJSA-N 393.369 2.823 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575610870 ZGSFBQGRVYBCGQ-HNNXBMFYSA-N 395.868 2.565 0 40 GFAB O=C(c1nc2c(o1)CCN(C(=O)c1ccccc1F)C2)N1CCC(F)(F)CC1 585111657 DYMSQLJHCZAMIY-UHFFFAOYSA-N 393.365 2.884 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(Cc2coc(-c3cccs3)n2)CC1 13038779 SFMMABDYTRNFJA-UHFFFAOYSA-N 389.502 2.910 0 40 GFAB O=S(=O)(c1ccc(NC(=S)Nc2ccc(F)cc2)cc1)N1CCOCC1 13752509 HXUASLUEVIIFIP-UHFFFAOYSA-N 395.481 2.656 0 40 GFAB CCOC(=O)N1CCN(c2nc(-c3ccc4ccccc4c3)cc(=O)[nH]2)CC1 14162230 MHKBMGSDMRDOMJ-UHFFFAOYSA-N 378.432 2.869 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1 14222764 DPQZFLNSMCRIMO-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCCOC 14399105 AFQTWKWAGXVYKK-IBGZPJMESA-N 386.448 2.868 0 40 GFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(c3ncccn3)CCO2)cc1 19692736 NQQANGXLIUJKLJ-SFHVURJKSA-N 392.463 2.586 0 40 GFAB CC(=O)NCc1ccc(-c2ccc(C(=O)NCCn3nccc3C)c(C)n2)cc1 19700537 FREKJNYUZQWWSP-UHFFFAOYSA-N 391.475 2.628 0 40 GFAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)CC(C)(C)C)n2)CC1=O 19700936 SIGSKTRILRWNCW-HNNXBMFYSA-N 389.544 2.662 0 40 GFAB CNC(=O)c1cc([C@H]2CN(C(=O)Cc3ccccc3)CCO2)nc2ccccc12 19754348 RCXBDNFGIUHJOW-OAQYLSRUSA-N 389.455 2.737 0 40 GFAB C[C@@H](C(=O)Nc1cccc(CN2CCCCC2)c1)n1cnc2c(N)ncnc21 666301343 MGXDEKCRGGHXOQ-AWEZNQCLSA-N 379.468 2.594 0 40 GFAB Cc1cc(C(F)F)n2nc(C(=O)NC3(CN4CCCC4)CCCCC3)nc2n1 19117335 DBXLWYSXZQJCSD-UHFFFAOYSA-N 392.454 2.899 0 40 GFAB CCOC(=O)c1sc2nc(C)nc(N3CCN(C(=O)OCC)CC3)c2c1C 6510343 LFNVCUDMVBHPOU-UHFFFAOYSA-N 392.481 2.763 0 40 GFAB O=C(c1cnccn1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889030494 FQGVYWQWOWUIRS-UHFFFAOYSA-N 397.442 2.897 0 40 GFAB O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCCC1 4304938 ZVWAWAUEEOYXDV-UHFFFAOYSA-N 383.473 2.633 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2 4317013 AXZQPXDHWVCURL-UHFFFAOYSA-N 387.461 2.556 0 40 GFAB C[C@@H](NC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1 9738390 UKTFJIJZSFBIPO-CQSZACIVSA-N 377.444 2.728 0 40 GFAB COc1ccccc1C(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 10251978 QOYRLBVVXYHNQZ-UHFFFAOYSA-N 389.415 2.592 0 40 GFAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccn12 10272877 UFVIQCVIRDGVTI-UHFFFAOYSA-N 394.383 2.709 0 40 GFAB CCCOc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)nn1 11027369 UDZMQKJWOGXCDJ-UHFFFAOYSA-N 390.871 2.890 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CC[C@H](Oc2nccs2)C1 585320649 MNOFFKJHNOCWRQ-JTQLQIEISA-N 389.296 2.748 0 40 GFAB FC(F)(F)c1nnc2ccc(N3CCC[C@@H](COc4nccs4)C3)nn12 2298216367 KQZDGDCFDKVQBR-SNVBAGLBSA-N 384.387 2.895 0 40 GFAB CCn1ncc([C@@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)c1C 36621396 IUEHLAOWUIEYTA-AWEZNQCLSA-N 397.460 2.705 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(C[C@H](C)O)n2-c2ccccc2)cc1 20436777 OCLGBEGBGUDDNF-AWEZNQCLSA-N 398.488 2.930 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1F 100835217 JHAXBXJQLQNUDP-HIFRSBDPSA-N 389.180 2.881 0 40 GFAB O=C(NCCO)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 4535374 HLWGDJDRWUEUQF-UHFFFAOYSA-N 386.415 2.868 0 40 GFAB CC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)C1CCCC1 4848361 WZVNLTPWMPXANO-UHFFFAOYSA-N 380.514 2.548 0 40 GFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2OC)C1=O 6948582 BVYVJSYBGVGZLH-UVTDQMKNSA-N 378.450 2.609 0 40 GFAB Cc1cc(COC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)no1 7372030 CEFIFLQSQXMUBZ-UHFFFAOYSA-N 389.433 2.821 0 40 GFAB COc1cc(CNC(=O)c2cc3c(C)nn(C)c3s2)cc(OC)c1OC 11680166 ZHFXFSOUFQBILE-UHFFFAOYSA-N 375.450 2.899 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccccc1 8770376 RRWCPYXUQMLERL-UHFFFAOYSA-N 377.400 2.970 0 40 GFAB Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 32721719 VNBGKQIOADIAQW-UHFFFAOYSA-N 377.400 2.604 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)NCc2ccccc2Cn2ccnc2)c1 32860008 ZPTRUDFASAXWHM-UHFFFAOYSA-N 376.460 2.676 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2c1CCCC2 100466789 XIPKVCHJJFMJEA-HVFKHUKCSA-N 376.456 2.557 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2csnn2)cc1 11914886 NOFYWDXAPPQFQF-UHFFFAOYSA-N 388.474 2.611 0 40 GFAB O=c1[nH]nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C[C@@H]1CCCO1 7489682 CWEHAAHXJOYRQK-LBPRGKRZSA-N 393.856 2.746 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(Cl)c2c(c1)OCCO2 23654104 ROMVMCIUHPDDRU-UHFFFAOYSA-N 394.899 2.876 0 40 GFAB Cc1ccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)cc1N 12324439 YCMCJIVXXYSYIM-UHFFFAOYSA-N 378.407 2.725 0 40 GFAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 23046027 XJTZZZDFMYCGHP-JTQLQIEISA-N 380.322 2.988 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 917506 VUZMHNWFFOJGJX-CQSZACIVSA-N 398.444 2.683 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3ccccc3c(=O)o2)c1 997959 YWQYIGBUTUDHAT-UHFFFAOYSA-N 381.340 2.619 0 40 GFAB COc1cccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cnc(OC)nc2OC)c1 100149463 GDLZXWLUADCOAV-IAGOWNOFSA-N 399.491 2.622 0 40 GFAB O=C(NC1CCCC1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 107183470 YTDVGJUNAFKXEW-IEBWSBKVSA-N 391.537 2.565 0 40 GFAB CC1(C)N=C(O)N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)C1=O 1311786 SHARKFDQAWXPEM-LJQANCHMSA-N 381.476 2.585 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 106574020 GONRLJUQFHLLBM-KZNAEPCWSA-N 376.520 2.929 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cncc(Br)c1 22465612 SPUMSJQJUMECNW-CQSZACIVSA-N 396.310 2.709 0 40 GFAB COc1ccccc1-n1cnnc1SC[C@H](O)COc1ccc(F)cc1 12543240 HMKPYLSZUANFMZ-CQSZACIVSA-N 375.425 2.947 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1 3268295 PLNZCUGLUFJRDT-INIZCTEOSA-N 396.852 2.793 0 40 GFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)CCNC(=O)c3ccco3)o2)cc1 27361833 DNCCQQXBBPCZOR-GFCCVEGCSA-N 385.376 2.763 0 40 GFAB CC(C)n1nnnc1SCC(=O)NC[C@@H](C)c1nc2ccccc2s1 58192627 UNTFPBPRCOLVCG-LLVKDONJSA-N 376.511 2.876 0 40 GFAB COc1cc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 3399816 KJHHXFPVHOGQOZ-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccc1OC(F)F 3320657 ZJHXIQLRYBCYIK-HNNXBMFYSA-N 379.315 2.610 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)cc1 58266347 ZQPXNZJXTKZLER-GOSISDBHSA-N 378.432 2.895 0 40 GFAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3nccs3)CC2)CC1 10673992 OKNZQAXFOQOTFR-UHFFFAOYSA-N 399.520 2.736 0 40 GFAB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N1CCN(C(=O)C2CC2)CC1 36397447 DYTNSJPQMKUUQJ-IZZDOVSWSA-N 391.471 2.755 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(Br)o1 12767753 JWFVICMYPPWQCO-UHFFFAOYSA-N 379.254 2.804 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N(C)c1ccccc1 3419767 XKTSUWMCUCHQCR-AWEZNQCLSA-N 391.427 2.551 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 12981590 MGWQXEJTFOMPOB-UHFFFAOYSA-N 388.489 2.531 0 40 GFAB CCOc1c(Br)cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1OC 13170820 FRVALPWKRJPZOO-SNVBAGLBSA-N 386.242 2.793 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1 7945221 OMPIIBQBLOKFCX-UHFFFAOYSA-N 377.447 2.773 0 40 GFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 8429226 HXGKOMKPWCFAJN-GFCCVEGCSA-N 386.477 2.680 0 40 GFAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCN(c4ncccn4)CC3)c2C)no1 8039778 ZTZMHKQJRUGZSW-AATRIKPKSA-N 392.463 2.543 0 40 GFAB COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c(OC)c1 4282724 XLLVYJROADBALM-OAQYLSRUSA-N 380.400 2.839 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cc(=O)n2ccsc2n1 5210931 IJJQPNSDFRPHJW-UHFFFAOYSA-N 380.429 2.916 0 40 GFAB COc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 14183552 AFJMSXHAYFUXNZ-CYBMUJFWSA-N 386.473 2.785 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccco3)o2)cc1 4828255 RMZIXYBNXKAOOI-UHFFFAOYSA-N 386.433 2.827 0 40 GFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC/C=C/c1ccccc1 8356297 HVAXKMVAYUNLRR-RMKNXTFCSA-N 386.473 2.662 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1nnn(Cc2ccc(F)cc2)c1N 4934190 BBWLJRYQVYKDJC-UHFFFAOYSA-N 375.791 2.962 0 40 GFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(F)c1 67287244 GRGIYVVUWAQOFW-GOSISDBHSA-N 375.444 2.873 0 40 GFAB CCOC(=O)[C@](NCc1cccc(C(F)(F)F)c1)(NC(C)=O)C(F)(F)F 19939242 XVTORVSTQPSEDM-ZDUSSCGKSA-N 386.292 2.753 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 8774732 PBHSXGRXADXUQV-AWEZNQCLSA-N 391.537 2.979 0 40 GFAB Cc1ccc(CSCCNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 18701105 GQSFSTBMZRSFIT-ROUUACIJSA-N 388.533 2.910 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)n(C)c1 9690404 VSHWFERBKZYMFA-UHFFFAOYSA-N 390.465 2.758 0 40 GFAB O=C(C[C@H]1OCCc2ccsc21)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 89825822 VTXIGTJACBEWJB-QAPCUYQASA-N 396.472 2.971 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1C 408551424 HUCCRBIWNNZBSE-HUUCEWRRSA-N 376.478 2.548 0 40 GFAB CCOc1cc(C(=O)N(C)CCSC)ccc1OCC(=O)N1CCCCC1 79070728 TXVUSXNYKXXVMD-UHFFFAOYSA-N 394.537 2.912 0 40 GFAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)N2NC=NC2=N1 409375549 MJYOLOQCVFBBPN-HNNXBMFYSA-N 397.822 2.533 0 40 GFAB O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(Cc2ccccc2)CC1 79475518 VZTKWCGCPQEXHQ-GOSISDBHSA-N 399.926 2.691 0 40 GFAB CC(=O)c1cccc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 62022678 DXJVFSCOGZBOQV-UHFFFAOYSA-N 390.447 2.720 0 40 GFAB C[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409382853 WOWINPKPVVIBFG-AWEZNQCLSA-N 380.897 2.853 0 40 GFAB O=C(C1CC(F)(F)C1)N1Cc2ccnn2[C@@H](CCOCc2ccncc2)C1 306127998 GNKHDFHJZUEYGZ-KRWDZBQOSA-N 376.407 2.814 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38728548 LYWNOZJKHCQZKL-RTBURBONSA-N 388.471 2.511 0 40 GFAB O=C(O)Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 39557101 YCOBFYZAPJVDLT-LICLKQGHSA-N 375.384 2.819 0 40 GFAB CC(=O)N1CCC(NC(=O)CCCOc2ccc(Br)cc2)CC1 39979646 WFNNSLLJUBPAHM-UHFFFAOYSA-N 383.286 2.735 0 40 GFAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCCOc1ccccc1C 38310813 JYLXFAQWAMHCHX-MRXNPFEDSA-N 394.431 2.637 0 40 GFAB CCOC(=O)c1cnc(N2CCC(O)CC2)nc1CNc1cc(F)cc(F)c1 72260039 PQHUQEBFWBXDJW-UHFFFAOYSA-N 392.406 2.505 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(-c2ccc(F)cc2)nn1 38652808 LEDFKUPISBQXNJ-UHFFFAOYSA-N 379.439 2.801 0 40 GFAB CC(C)(C)c1ncc(C(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)cn1 36741167 ZORFSMOOSBFPRL-KRWDZBQOSA-N 380.492 2.850 0 40 GFAB CCCNC(=O)Cn1cnc2c(sc3nc(C(F)(F)F)cc(C)c32)c1=O 32117860 GWILMBFUICWDSE-UHFFFAOYSA-N 384.383 2.860 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCc2ccccc21 224640230 UCYWKYDFNPWJSL-LJQANCHMSA-N 388.489 2.829 0 40 GFAB Cc1ccc(CN(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 224264251 UVKNLCWOSARWAZ-UHFFFAOYSA-N 392.546 2.665 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 223673572 KAWGDVIHFSPHQY-MRXNPFEDSA-N 390.505 2.690 0 40 GFAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 223587956 NBDFTFLVBRQYAF-WOJBJXKFSA-N 394.500 2.846 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cc1 225917097 HFQOWSMJYLQAGM-UHFFFAOYSA-N 389.404 2.912 0 40 GFAB COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224654523 VPWZUDSASLTPJG-UHFFFAOYSA-N 385.388 2.650 0 40 GFAB CC[n+]1cc(Br)cc(-c2nn3c(C(F)(F)F)nnc3s2)c1 226774113 SZJATCQBKQVYBI-UHFFFAOYSA-N 379.185 2.942 0 40 GFAB FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NC2CCCC2)n1 226006908 DIKMDVOJTJQHLG-UHFFFAOYSA-N 375.420 2.561 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2cccc(F)c2)CC[C@@]1(C)O 514289975 RWICIDOJZYQUFI-SLFFLAALSA-N 392.496 2.716 0 40 GFAB biogenic,in-vitro CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225680914 DBIVXHIYUHDBLL-AWEZNQCLSA-N 397.566 2.533 0 40 GFAB NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 223296664 WKBIDCZQMQVJTL-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB CCCNC(=O)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 199411458 KGBCABGRYBJMJX-OAHLLOKOSA-N 377.238 2.561 0 40 GFAB O=C(NCc1nc(-c2ccccc2F)cs1)c1cn(C[C@H]2CCOC2)nn1 529197757 CLDQSPSIOVZLMP-GFCCVEGCSA-N 387.440 2.507 0 40 GFAB COc1ccc(-c2cccc([C@H]3CN(C(=O)c4nonc4C)CCO3)n2)cc1 257299412 RPZJIANZYPUODZ-GOSISDBHSA-N 380.404 2.662 0 40 GFAB CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(c4ncccn4)C3)ccc2c1N 257203943 ASHMSODHPJNICC-HXUWFJFHSA-N 396.520 2.928 0 40 GFAB COc1cc(N2CCS(=O)(=O)CC2)ccc1N[C@H](C)c1ccncc1F 585081046 IEEAGAGWBZUVMJ-CYBMUJFWSA-N 379.457 2.637 0 40 GFAB O=C(Nc1ccccc1OCCN1CCNCC1)N1[C@H]2CC[C@H]1CC1(CC1)C2 625898266 LCZXHJYDNWAPOD-ROUUACIJSA-N 384.524 2.910 0 40 GFAB O=C(Nc1cccc(CNC2CCN([C@H]3CCOC3)CC2)c1)c1ccncc1 655697811 TVUOPOHBFMIHGW-NRFANRHFSA-N 380.492 2.677 0 40 GFAB CCn1cc([C@@H]2OCC[C@H]2CN2CCN(C(=O)c3cccc(F)c3)CC2)cn1 667496828 GSKCJFUDGSPICC-FXAWDEMLSA-N 386.471 2.578 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CCC(n2nnc3ccsc3c2=O)CC1 390828261 AQEQGAIMORNCAR-UHFFFAOYSA-N 390.415 2.537 0 40 GFAB CC(C)N1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O 5365528 QGWQOCQXZWSXOK-UHFFFAOYSA-N 392.626 2.785 0 40 GFAB CCOc1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)C[C@@H](C)O)OCO2 12185700 LXVACDOZXDUPMI-CQSZACIVSA-N 387.432 2.926 0 40 GFAB COC(=O)c1c(NC(=O)CCN2C[C@H](C)O[C@H](C)C2)sc2c1CCCC2 12418002 WAIOBTQWSXYPRE-BETUJISGSA-N 380.510 2.851 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 12911021 JOFISXHELCRPTD-QGZVFWFLSA-N 387.480 2.732 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H](C)Oc1cccc(Cl)c1)C2=O 18023374 QJDMQIJVANMCTN-BJCXPLBRSA-N 379.844 2.639 0 40 GFAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)NCCCCCC(=O)O)c3)C(=O)[C@H]2C1 18202259 QCEWONAHOVMTNB-ROUUACIJSA-N 398.459 2.907 0 40 GFAB Cc1nc(N(C)C)ncc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCCCC1 19552769 USXFHUFUEGVIBG-IBGZPJMESA-N 385.487 2.947 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19556145 NKJCJEADZXZPHI-YJYMSZOUSA-N 382.512 2.559 0 40 GFAB COc1ccccc1CN1CCC(c2cc(C(=O)N3CCC[C@@H](O)C3)on2)CC1 19570129 UJJQHIJVQUDDLS-GOSISDBHSA-N 399.491 2.660 0 40 GFAB CS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 19573507 XUWQIMAOJWASIX-GFCCVEGCSA-N 380.416 2.783 0 40 GFAB Cn1nccc1C(=O)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573677 IJNXXXLUVQSSBC-UHFFFAOYSA-N 394.431 2.659 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252539171 NUYQAZPXYHDNLS-WKILWMFISA-N 393.513 2.539 0 40 GFAB O=C(NC[C@](O)(c1ccco1)c1cccs1)C(=O)Nc1cc(F)ccc1F 238954733 XSDRZIYINIMWFO-SFHVURJKSA-N 392.383 2.610 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 244975256 IIHLMTVBJJTGNC-MRXNPFEDSA-N 394.880 2.852 0 40 GFAB Cc1nc(CN2CCC[C@@]3(CCCN(C(=O)CCn4cccn4)C3)C2)cs1 2056225045 YFBDCGLSUCXFKM-HXUWFJFHSA-N 387.553 2.943 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ncoc4C(C)C)CC3)ncn2)n1 2087144468 VCEZWWNRDRVICJ-UHFFFAOYSA-N 381.484 2.713 0 40 GFAB CC(C)c1snnc1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565541891 KXSYWALDHOMNLO-INIZCTEOSA-N 397.504 2.950 0 40 GFAB CCOc1ccc(N2CCn3c2nn(Cc2cc(C)ccc2C)c(=O)c3=O)cc1 8849502 DOBZHSMUFHHZDI-UHFFFAOYSA-N 392.459 2.621 0 40 GFAB Cc1nc(C)c(C(=O)NCCNC(=O)c2ccc(NC(=O)C(C)C)cc2)s1 13854596 RDNXUAKBBWVHDO-UHFFFAOYSA-N 388.493 2.514 0 40 GFAB O=C(Cc1ccc(F)cc1)NCCn1ncc2c(NCc3ccco3)ncnc21 38484208 PSKWBJPLUSPFQR-UHFFFAOYSA-N 394.410 2.529 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccnn2C)nc1 575619897 PGGFVNZTIMIKOQ-UHFFFAOYSA-N 392.868 2.623 0 40 GFAB O=S(=O)(NC1CCN(c2cnsn2)CC1)c1c(Cl)cccc1Cl 585148817 JXVSOIIJXWJJMD-UHFFFAOYSA-N 393.321 2.792 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](Oc2cc(C)nc(C)n2)C1 585147420 PCTHVYMYYDGJMW-CQSZACIVSA-N 397.884 2.597 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 77184811 GNQXGMHPAMTTNB-HNNXBMFYSA-N 375.899 2.682 0 40 GFAB CCCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 4898330 FAQLFQMGVYPMAG-UHFFFAOYSA-N 396.480 2.897 0 40 GFAB COC(=O)Cn1/c(=N\C(=O)c2ccc3c(c2)OCO3)sc2c(C)cc(C)cc21 101006601 HGPXFDIEEFYOJW-QZQOTICOSA-N 398.440 2.962 0 40 GFAB C[C@@H](NC(=O)c1cncc(Br)c1)c1ccc2c(c1)NC(=O)CO2 40072777 TXKCDQMKDMVKQR-SECBINFHSA-N 376.210 2.666 0 40 GFAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1 40287315 HGVDACIHHCDETO-MRXNPFEDSA-N 380.379 2.999 0 40 GFAB Cc1cccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)c1 20488685 YMYUCBOSEUJXOS-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB S=C(Nc1ccccc1)N[C@@H]1OCCO[C@H]1NC(=S)Nc1ccccc1 3123022 MFZYZWHTLRFNKW-HZPDHXFCSA-N 388.518 2.659 0 40 GFAB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 11610950 UASQOJZIOWNZJK-LJQANCHMSA-N 384.461 2.717 0 40 GFAB biogenic Cc1cc(C)c(C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)c(C)c1 11673537 VEDOFAHTSVOLCA-UHFFFAOYSA-N 383.444 2.899 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccccc1C(N)=O 6390207 RJMNJVDGUOLRJJ-UHFFFAOYSA-N 377.853 2.639 0 40 GFAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccccc1C#N 6961547 KZAAGQHKQFEMEK-MFOYZWKCSA-N 390.399 2.638 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1 8037135 KTWOOFYNVAUXRG-SJLPKXTDSA-N 380.444 2.769 0 40 GFAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1nc2ccccc2s1 8743503 GPGPCHBOJBRVRG-KGLIPLIRSA-N 380.473 2.516 0 40 GFAB biogenic CCOC(=O)C1=C(CN2CCC[C@@H]2c2nc3ccccc3s2)NC(=O)NC1 19534441 GLKLRUXLQJMDDH-OAHLLOKOSA-N 386.477 2.563 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)OCc2coc(-c3ccccc3)n2)c1 21905327 JMPGRBKSIHVROZ-UHFFFAOYSA-N 386.429 2.997 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ccccc1 29895641 UOQRASMEHVQVSR-GFCCVEGCSA-N 386.395 2.689 0 40 GFAB Cc1cc(C)n(CCNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 12391268 CCUKTSVJFVULFJ-UHFFFAOYSA-N 379.342 2.999 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1 23638864 DYGUDYOOWAFWBV-UHFFFAOYSA-N 395.503 2.785 0 40 GFAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 23642094 WTRJMOGNMYLTQC-UHFFFAOYSA-N 387.524 2.742 0 40 GFAB COCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22275937 NZBKIBMQNWMBEW-UHFFFAOYSA-N 396.896 2.606 0 40 GFAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670316 IHMHLQQTDROYTA-OALUTQOASA-N 388.491 2.655 0 40 GFAB O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3024995 QKRMHQYDQQQEHE-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB Cc1ncncc1C(=O)N1Cc2nc3c(-c4ccccc4)c(C)nn3c(O)c2C1 100215436 QGPSYTNKYIUCBG-UHFFFAOYSA-N 386.415 2.665 0 40 GFAB Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3c(F)cccc3F)cn2)n1 56096946 DGQCUQKZKLOHCF-UHFFFAOYSA-N 378.404 2.641 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2cc(C)[nH]c2c1=O 57521971 DWAYGCIQLZUFIW-UHFFFAOYSA-N 384.461 2.986 0 40 GFAB CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCOCC1 27552239 OUDBFWLZVCOVKB-KRWDZBQOSA-N 385.512 2.760 0 40 GFAB COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 10264106 JSQDBZIAMVIPJD-UHFFFAOYSA-N 396.472 2.848 0 40 GFAB COc1ccc(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)cc1 58434947 ZWEQGMIMRPJVFQ-GOSISDBHSA-N 381.476 2.574 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 12789047 QVKSFPSUDOEDJA-IFXJQAMLSA-N 388.489 2.535 0 40 GFAB CC[C@H](CNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O)c1ccccc1 48245646 NFENSLBRSRAQAK-MRXNPFEDSA-N 376.460 2.993 0 40 GFAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1nnc2n1CCCCC2 48276144 SLLJGAWCTRMNDU-SFHVURJKSA-N 397.523 2.774 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3CCSC3=O)cc2)C1 48310368 JKTKIYZPFAXCQE-IYBDPMFKSA-N 375.538 2.950 0 40 GFAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)cc1 12810739 OPMLBSZPTZYCFR-GFCCVEGCSA-N 387.509 2.713 0 40 GFAB CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 3514994 NLMJRYKXKYJZGS-ZDUSSCGKSA-N 397.475 2.998 0 40 GFAB O[C@@H]1CCCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 13134153 MGNZRUQLGFVWLY-WOJBJXKFSA-N 377.431 2.888 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 13135470 VOEQYBWTQKXHPJ-UHFFFAOYSA-N 397.474 2.845 0 40 GFAB O=C(CS[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)N1CCOCC1 4109892 SYZDOVALKFRFFC-OAQYLSRUSA-N 382.485 2.933 0 40 GFAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)Nc5ccccc5)nc4c23)C1 64945805 QONYKRYEEMJEJC-GFCCVEGCSA-N 393.472 2.869 0 40 GFAB NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)cc1 6601180 HJQLHZJJQYQJLI-UHFFFAOYSA-N 377.425 2.700 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408624532 QQBVORLRYWDSJW-LLVKDONJSA-N 398.868 2.663 0 40 GFAB O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 15385535 DKQHLSDLLPYYKU-UHFFFAOYSA-N 390.427 2.517 0 40 GFAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 8769293 OTXGVWHCJXGSLS-KRWDZBQOSA-N 380.839 2.932 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1Cl 8729259 QOLMHYQJUWLQLB-MRXNPFEDSA-N 395.864 2.778 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C)ccn1 9154530 UNTDJAGBIXSPQG-AWEZNQCLSA-N 397.497 2.568 0 40 GFAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 16554325 QBYZZWMLXXHCRZ-LLVKDONJSA-N 387.461 2.830 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1OC 8990588 MIMDYARVBBUEIV-UHFFFAOYSA-N 393.443 2.783 0 40 GFAB Cc1ccc(F)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 27973941 QNROSBRPLKYCME-UHFFFAOYSA-N 379.409 2.708 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)c2nccn2-c2ccccc2)[C@@H]1C 84689763 YXMXQLXLHZNEOM-INMHGKMJSA-N 375.494 2.587 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC[S@@](=O)c1ccccc1 84721423 WJBVRLURHFINMN-OIXWISFJSA-N 386.517 2.755 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc12 95980540 SXOBMZPREZUEDP-CYBMUJFWSA-N 380.456 2.684 0 40 GFAB CC(=O)NNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 28222365 VYXLXNXFCUINSU-NRFANRHFSA-N 390.443 2.579 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 219136245 GBSRTWVYBLMPER-HNNXBMFYSA-N 396.443 2.655 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](CC(C)C)n1cccc1)[C@H](C(N)=O)C2 524731513 AJAOSBYYTWDOQI-ZWKOTPCHSA-N 399.491 2.531 0 40 GFAB biogenic O=C(Cc1ccccc1C(=O)O)Nc1cccc(NC(=O)CN2CCCCC2)c1 71287302 SBOONMUOCIHVLY-UHFFFAOYSA-N 395.459 2.990 0 40 GFAB CC[C@@H]1CN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)O)c3C)cc2)CCO1 539569438 ZGDQUXVGUTXQDG-GOSISDBHSA-N 385.464 2.757 0 40 GFAB Cn1cc(CN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c(-c2ccncc2)n1 564879323 CFHCBLOYGDKYOH-CALCHBBNSA-N 384.386 2.785 0 40 GFAB COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 44842012 XEPHDCFGDFTINX-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 72349787 RCUDIDILVFMABW-MRXNPFEDSA-N 375.432 2.590 0 40 GFAB O=C(CCSc1ccccc1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099641 WLXKXXQUIRTTIH-UHFFFAOYSA-N 382.445 2.533 0 40 GFAB CCOCc1nn2c(=O)cc(COC(=O)c3ccc(Cl)cc3)nc2s1 41077267 SBLZPGQLUOJIQU-UHFFFAOYSA-N 379.825 2.698 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cnc3ccccc3n2)N2CCOCC2)cc1 42381936 DIMNHLWWYIMXAZ-NRFANRHFSA-N 376.460 2.742 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225042114 FTNNHBDFVIRUMS-RDTXWAMCSA-N 376.478 2.505 0 40 GFAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 225649595 GNMWHBAJTKJJEB-IVAOSVALSA-N 377.440 2.979 0 40 GFAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 223460526 QRUWTKWCVJHWPR-HXUWFJFHSA-N 384.476 2.670 0 40 GFAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2)c1C 224677777 QHGRTARGJPFSAN-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2C)s1 225317506 USNSVGBOIKASFQ-NSHDSACASA-N 381.479 2.826 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224119987 GNDHDHCZGBCSCG-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100383 UWGLXGUAQOUJTB-UHFFFAOYSA-N 377.282 2.662 0 40 GFAB Cc1nc(CN2CCOC[C@]3(CN(Cc4ccc(F)cc4)CCO3)C2)cs1 96049819 PYDBZTCEYOKHES-FQEVSTJZSA-N 391.512 2.694 0 40 GFAB O=C(N=c1ccnc(OCC(F)(F)F)[nH]1)Nc1ccc([C@@H]2CCOC2)cc1 579921071 AFEVDVSUTVWDJA-GFCCVEGCSA-N 382.342 2.988 0 40 GFAB Cc1ccsc1C(=O)N1C[C@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 96241033 RRHAMYHODGLLAM-MRXNPFEDSA-N 385.489 2.959 0 40 GFAB O=C(CN1CCN(Cc2ccccc2Cl)CC1)Nc1cccc2nonc12 96465809 FFDNJJPDPKEPCT-UHFFFAOYSA-N 385.855 2.633 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2cccc(OC)c2)cc1 257294173 QSWXIWICTAGCRA-NRFANRHFSA-N 396.487 2.610 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)ncn1 257254809 KETMOUAULVONPK-OAHLLOKOSA-N 380.452 2.577 0 40 GFAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)CCCn3cccn3)C2)n1 257332762 XYNOTXGJYAVSOJ-QGZVFWFLSA-N 394.479 2.816 0 40 GFAB Cc1cc(NC(=O)NC(c2nccn2C)c2nccn2C)cnc1C(F)(F)F 626613641 QHVZXDCUDZKTQP-UHFFFAOYSA-N 393.373 2.787 0 40 GFAB Cn1cc(-c2cccs2)nc1CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 90606964 IHCPLMVASYAOLA-OAHLLOKOSA-N 394.500 2.860 0 40 GFAB O=C([C@@H]1CNC[C@H]1C(F)(F)F)N1CCC(Cc2nc(C3CCC3)no2)CC1 638682615 ZEACKYJWSMWODL-ZIAGYGMSSA-N 386.418 2.516 0 40 GFAB Cc1ccc(Br)cc1Cc1noc(CN2CCCC[C@@H](O)C2=O)n1 643968018 TWEFBDRCKSVINZ-CQSZACIVSA-N 394.269 2.605 0 40 GFAB COc1ccc(-c2n[nH]c(NC(=O)c3cc4c(C)nn(C)c4s3)n2)cc1OC 648403805 CWBXXOMYNZHKCN-UHFFFAOYSA-N 398.448 2.998 0 40 GFAB Cc1nc(CN2CCC3(CCN(C(=O)c4nnsc4C)CC3)C2)cs1 585099788 ZIYPLPWONBZPPB-UHFFFAOYSA-N 377.539 2.740 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1N1CCCCC1=O 48252955 OGSPVOKVZFTINB-CYBMUJFWSA-N 385.420 2.562 0 40 GFAB Cc1cc(S(=O)(=O)N[C@@](C)(C(=O)O)[C@H]2C[C@H]3CC[C@H]2C3)cc(C(=O)O)c1C 1615586606 POTFYWAGIVRASV-LKTHJCGVSA-N 395.477 2.559 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1OC 5257264 SSRKQMGMNFPTKK-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 17081644 FIMHXQAMZPEVJX-XHDPSFHLSA-N 399.274 2.900 0 40 GFAB O[C@@H](CN1CCN(c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCCCO2 19345601 OFYLEEIPLVZSNH-IBGZPJMESA-N 390.430 2.982 0 40 GFAB CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19446850 AHWULOJENQKRJC-RTWAWAEBSA-N 398.555 2.757 0 40 GFAB C[C@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)c2C1 19497112 BRDVSACZVFASIP-AWEZNQCLSA-N 395.507 2.597 0 40 GFAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cn[nH]n4)C3)cc(C(F)(F)F)c12 19564284 STYDVWVVMUQFAI-SECBINFHSA-N 380.330 2.688 0 40 GFAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 19575353 XHCALFYQEZPZDG-MISYRCLQSA-N 376.504 2.724 0 40 GFAB COc1cccc(CN2CCN(C(=O)Cc3cc(OC)ccc3OC)[C@@H](C)C2)c1 19575582 WKGQARBKBBGOTA-KRWDZBQOSA-N 398.503 2.988 0 40 GFAB O=C(CN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1)NCc1ccccn1 19715560 IIBHVGHBMRYYEV-OAHLLOKOSA-N 381.455 2.668 0 40 GFAB CCOc1ncc(C2(O)CCN(Cc3cccc(F)c3)CC2)c(OCC)n1 12186397 YEBPVCSNEVRZBE-UHFFFAOYSA-N 375.444 2.897 0 40 GFAB Nc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1 32550239 JTHZRTZDCXUYMX-LBPRGKRZSA-N 392.506 2.737 0 40 GFAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)cc1F 2655988 NBFDZFUWEBIOEU-QGZVFWFLSA-N 398.369 2.548 0 40 GFAB Cc1cnn(CC2CN(c3ncc4c(C)cc(=O)n(C5CCCC5)c4n3)C2)c1 1889149212 LYTYKSZBZVBWQV-UHFFFAOYSA-N 378.480 2.856 0 40 GFAB COC(=O)C1=C(NC(=O)c2ccccc2I)CCS1 4072222 VQBVHBDBUWXDNS-UHFFFAOYSA-N 389.214 2.543 0 40 GFAB O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)c1cc2ccccc2o1 11666039 MGMGRJGJUYXATR-UHFFFAOYSA-N 390.447 2.993 0 40 GFAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1c[nH]c2ccccc12 13808314 RBJDHLKFYQOIAZ-UHFFFAOYSA-N 390.418 2.890 0 40 GFAB COCCNC(=O)C1(Nc2nccs2)CCN(Cc2ccc(C)cc2)CC1 2055738850 VRXPSEBQHUKQMZ-UHFFFAOYSA-N 388.537 2.661 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 207989611 NLGXQWPNVGQZJM-IBGZPJMESA-N 386.517 2.808 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575610155 TZXKQEXQXHQYAH-AWEZNQCLSA-N 385.848 2.642 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccncc3)C2)c(C)c1 575611679 FVBWXUGIWCKMAI-SFHVURJKSA-N 389.477 2.581 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)o2)cs1 40073905 XJGWJHWOBRYOOR-JTQLQIEISA-N 387.383 2.739 0 40 GFAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1OC(F)F 40090595 HZWUWIGNTWRCHU-TZMCWYRMSA-N 390.452 2.527 0 40 GFAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCO[C@@H](c2ccccc2)C1 40268747 DWZCMAVVVSNZGY-HXUWFJFHSA-N 393.418 2.650 0 40 GFAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)NC(=O)NC1CC1)OCCO3 11285729 NFVXVMIGNZIFJA-CQSZACIVSA-N 399.491 2.634 0 40 GFAB NC(=O)[C@@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCO1 50853665 TUNQULKTIVYJOG-IBGZPJMESA-N 395.434 2.619 0 40 GFAB Cc1c(-c2ccnc3cc(C(=O)NC4C5CC6CC(C5)CC4C6)nn23)cnn1C 2793503 SWVPMQICYDNMCF-UHFFFAOYSA-N 390.491 2.993 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@H](C)c3ccccc3)cc(C3CC3)nc21 32080080 BKJLQZUMUXJSMM-ZDUSSCGKSA-N 392.459 2.516 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1ccccn1)C(F)(F)F 19939253 LBLCWFJFQHQSFW-INIZCTEOSA-N 385.317 2.884 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 11865975 NDNHQPBJEBIUGZ-QGZVFWFLSA-N 380.444 2.642 0 40 GFAB biogenic O=C(OCc1ccc(F)cc1Br)c1cccc(-n2cnnn2)c1 10464840 LMLAABSTNOYWIW-UHFFFAOYSA-N 377.173 2.921 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 8434675 HDBLAWIPLKVZKO-UHFFFAOYSA-N 389.205 2.692 0 40 GFAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2n[nH]c(=O)n2C2CC2)s1 8504491 IBPCIMDJVNPSPW-UHFFFAOYSA-N 394.522 2.605 0 40 GFAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2ccccc2)CC1 52636444 UMOUHSOZYKTQGD-MRXNPFEDSA-N 398.488 2.804 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)/N=c1/ccccn1Cc1ccccc1)C2=O 105321453 HMRCVVVBKPVYBL-DAFNUICNSA-N 399.450 2.958 0 40 GFAB Cc1cccc(NC(=O)/C=C/c2ccccc2)c1C(=O)N1CCC(C(N)=O)CC1 27299034 QKHIFHIAUFPXAA-ZHACJKMWSA-N 391.471 2.984 0 40 GFAB Cc1cccc(CSCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 43964542 NVSNQAPSTGTZFR-MRXNPFEDSA-N 393.534 2.731 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(C)cc2)n2nnnc2N3)cc1 10295225 CVWLNPYXACRKSU-SFHVURJKSA-N 387.403 2.847 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)cc1 58217711 DQHMPNKHAOLZGZ-ZHACJKMWSA-N 379.503 2.630 0 40 GFAB Cn1nc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c2ccccc2c1=O 3368703 LUIUINUEXAVVCA-UHFFFAOYSA-N 389.770 2.522 0 40 GFAB CCCCN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 12778676 UJLNFFRAYOBSSM-SFHVURJKSA-N 392.496 2.974 0 40 GFAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 12855067 QTRGWNFBWCNLCS-NSHDSACASA-N 384.306 2.663 0 40 GFAB O=C(O)C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1 13257824 FGNXTRMNMIABFK-SFHVURJKSA-N 384.407 2.894 0 40 GFAB COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1OC 4088660 GLRSISLZDDNHQH-UHFFFAOYSA-N 397.427 2.726 0 40 GFAB biogenic COC(=O)c1ccsc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 5016595 WMAAEQAZPQEDAX-GFCCVEGCSA-N 391.426 2.657 0 40 GFAB CC(=O)Oc1cccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c1 13749326 CWELJUTYIIMYEY-SXGWCWSVSA-N 397.843 2.944 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 6150523 UVHIHOCMPCFMSX-IBGZPJMESA-N 394.471 2.822 0 40 GFAB COC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 17952642 OAQUZBGICZJULB-DOTOQJQBSA-N 397.818 2.556 0 40 GFAB CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2nccn2C)nnc1C1CC1 14085061 JJCUNLRSUIMCOR-KRWDZBQOSA-N 396.520 2.907 0 40 GFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1(C)C 14249208 TWJPZHQDJCWSFN-OALUTQOASA-N 390.549 2.899 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 18174401 NEUDETJPIUGCEO-UHFFFAOYSA-N 383.857 2.530 0 40 GFAB COc1ccc(/N=c2\oc3cc(OC(C)=O)ccc3cc2C(=O)NC(C)=O)cc1 4614671 LUBWJDMTKQFTOU-LNVKXUELSA-N 394.383 2.875 0 40 GFAB CCOc1ccccc1C(=O)N(Cc1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 6810378 NEPDUDJDFCOECF-OAHLLOKOSA-N 377.462 2.816 0 40 GFAB Nc1nc(N)nc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)n1 6993219 UDHDWSGYAVDJHL-UHFFFAOYSA-N 396.505 2.561 0 40 GFAB COc1cc(C)c(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1OC 15192599 FDISXNCNZPHGDS-UHFFFAOYSA-N 389.452 2.596 0 40 GFAB 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)OC3)CC[C@@]12O 118913794 FLMSQRUGSHIKCT-OWPNHOQMSA-N 390.520 2.575 0 40 GFAB in-vitro CCOc1cc2c(cc1CNC(=O)c1cccc(S(C)(=O)=O)c1)O[C@H](C)C2 8703900 NYYKDWNUNRUCEV-CYBMUJFWSA-N 389.473 2.742 0 40 GFAB CCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NCCC)nnc12 7207631 RJZAGZOPZJIWLL-CYBMUJFWSA-N 387.509 2.851 0 40 GFAB CCn1nc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)c2ccccc2c1=O 8806612 NLVWDDYJKNCPRV-UHFFFAOYSA-N 392.367 2.585 0 40 GFAB Cc1cc(OCCCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 71802124 VLKRAESXQXWVJS-HNNXBMFYSA-N 385.913 2.986 0 40 GFAB O=C([C@@H]1CCCN1C(=O)Nc1ccnc(Oc2ccccc2)c1)N1CCOCC1 72309900 VKZDBYJVLRSCSH-SFHVURJKSA-N 396.447 2.729 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)c(=O)n1C 72401643 LBRZXCZXVBLOIO-UHFFFAOYSA-N 379.372 2.862 0 40 GFAB CN1CC[C@H](NC(=O)c2ccccc2S(C)(=O)=O)[C@@H]1c1ccc(F)c(F)c1 95449227 GUVSDUWOUDTMBS-WMZOPIPTSA-N 394.443 2.544 0 40 GFAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cnc2c(c1)COCC2 95464408 BTCVDZVIZALMAJ-UHFFFAOYSA-N 379.338 2.542 0 40 GFAB O=C(O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 95456237 IEXBWZNGUJCOKE-FGZHOGPDSA-N 396.531 2.941 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2C)cc1 20013662 BCLFCVGTXNKLBB-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408549701 XINJGWCMPFEWJP-JLATVTFTSA-N 396.827 2.592 0 40 GFAB COc1ccc(-c2nnc3n2C2(CCN(Cc4ccco4)CC2)CN(C)C3)cc1 306125884 DEQQHJZDDAYIGK-UHFFFAOYSA-N 393.491 2.983 0 40 GFAB Cn1nc(-c2ccc(Br)cc2)nc1S[C@H]1CCS(=O)(=O)C1 217340727 CORGIZUSOZNBFI-NSHDSACASA-N 388.312 2.524 0 40 GFAB O=C(N[C@@H]1CCn2ccnc2C1)c1cccc(-n2nccc2C(F)(F)F)c1 547658426 RKGGCXXBZYRQFO-CYBMUJFWSA-N 375.354 2.832 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C)c1 408607138 NARACUOFQWMGJZ-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB O=C(/C=C/c1cccs1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903578 XIWTYAXFXVLHDO-RMKNXTFCSA-N 377.473 2.962 0 40 GFAB NC(=O)C1CCN(C(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 30756159 FXSQTPJBOXQZQA-UHFFFAOYSA-N 377.488 2.977 0 40 GFAB Cc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)n1 35311692 GFFPUDPGDYXIFQ-UHFFFAOYSA-N 380.901 2.566 0 40 GFAB CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 72346253 HHOMLTGPCQIOKJ-QGZVFWFLSA-N 397.498 2.913 0 40 GFAB O=C1CCc2cc(F)c(NC(=O)N3CCC[C@H]3Cn3cc(C4CC4)nn3)cc2N1 519009405 HWSJVHMYNFAFDU-AWEZNQCLSA-N 398.442 2.876 0 40 GFAB CCOc1ccc(CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222421736 GLFLQLTYNKLZHR-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 193412845 MOTSHVXPPGMCDK-UHFFFAOYSA-N 383.301 2.538 0 40 GFAB O=C1[C@@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1cccnc1 96111836 XSHCBNNWVLBFLI-ICSRJNTNSA-N 379.460 2.629 0 40 GFAB biogenic,in-vitro COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cn(C)nc3C3CC3)C2)c1 581718939 LWXMGACUTYRJAV-AWEZNQCLSA-N 384.480 2.571 0 40 GFAB Cc1cc(S(=O)(=O)n2nnc3ccccc32)ccc1I 96305746 DCIVNQCYBJLLQN-UHFFFAOYSA-N 399.213 2.581 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1 245229735 DWOBIUSWWAXKKO-LSTDLKDCSA-N 376.522 2.701 0 40 GFAB CNC(=O)[C@@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 257273941 NIVSEWOTLWYQAP-QHCPKHFHSA-N 394.519 2.799 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 250667319 JIJROGLNYQYHBP-BBRMVZONSA-N 378.856 2.555 0 40 GFAB CCc1ccc([C@H](O)CNC(=O)c2ccc(N3CCN(C)CC3)c(F)c2)cc1 585082259 STXBOXBYLUEQMS-OAQYLSRUSA-N 385.483 2.603 0 40 GFAB Cc1cc(Nc2cc(C3CCN(C(=O)C4(N)CCCCC4)CC3)nc(C)n2)[nH]n1 257291135 QFUXLLSBUOSJHZ-UHFFFAOYSA-N 397.527 2.928 0 40 GFAB CCc1nc(NC(=O)CN2CC[C@@H](C(=O)NCc3ccccc3)C2)sc1C 646056579 QWLDODRGTDCKAA-MRXNPFEDSA-N 386.521 2.591 0 40 GFAB CO[C@H]1CCN(c2ccc(C(=O)NCc3cccnc3-c3cnn(C)c3)cc2)C1 575617558 FSAZOMLCCDKJBK-FQEVSTJZSA-N 391.475 2.637 0 40 GFAB O=C(Cc1ccc(O)cc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111003 AIYOVOXTQRDGLS-HXUWFJFHSA-N 377.444 2.610 0 40 GFAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1 72394256 USVSQOVZNVWLPA-QGZVFWFLSA-N 387.505 2.823 0 40 GFAB C[C@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546853 VQYZKSSGTGLXSA-QFBILLFUSA-N 393.578 2.545 0 40 GFAB COc1cccc([C@]2(O)CC(C)=NN2C(=O)CCc2ccc3c(c2)OCO3)c1 5008214 JVTGIDUQCLQLQB-OAQYLSRUSA-N 382.416 2.810 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1 12084948 RDLPFVBDHHLBHU-CQSZACIVSA-N 389.506 2.563 0 40 GFAB COc1ccc(C2(O)CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1 12291071 MGPWWJYQGBHLLW-UHFFFAOYSA-N 390.430 2.687 0 40 GFAB COc1ccccc1C(=O)N1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 19017375 FJIDHBFCQLVHFY-IBGZPJMESA-N 394.475 2.757 0 40 GFAB COc1ccc(CN2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 19018393 XWELYQNWRHVFTA-SFHVURJKSA-N 380.492 2.769 0 40 GFAB COc1ccccc1CC(=O)N1CCC([C@@H](NC(C)=O)c2ccccn2)CC1 19020397 OAWLBTQLAUKHSR-JOCHJYFZSA-N 381.476 2.749 0 40 GFAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)Cn3cc(C)cn3)n2)cc1 19211149 KWYKKNSSFIIJKD-UHFFFAOYSA-N 390.490 2.569 0 40 GFAB Cc1cccc(O[C@@H](C)c2nnc(NC(=O)[C@H](C)N3CCOCC3)s2)c1C 19235676 MOUPKQCDJGCYCP-GJZGRUSLSA-N 390.509 2.954 0 40 GFAB Cc1ccccc1CC(=O)N1CCN(Cc2cc(-c3cccnc3)nn2C)CC1 19237092 MYWZDYJTLHSPOJ-UHFFFAOYSA-N 389.503 2.677 0 40 GFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O 8103613 OLFCEFSCDPJLAL-UVTDQMKNSA-N 380.491 2.598 0 40 GFAB Cc1nc2cc([C@@H]3CCCN3C(=O)CCc3c(C)noc3C)nn2c(O)c1C 12336981 RGQZMAICUBAUSY-KRWDZBQOSA-N 383.452 2.953 0 40 GFAB Cc1cc(C)n(CCNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)n1 13225406 FRJPSYNKLKMNLH-QRXQEZHUSA-N 379.460 2.676 0 40 GFAB Cc1cc(N)n(-c2ccc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)cc2)n1 19660622 NJNCZEPJUPNIFD-HXUWFJFHSA-N 389.503 2.982 0 40 GFAB Cc1cc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n2nc(C)cc2n1 1888881886 FSYSBNYWKAAFDR-UHFFFAOYSA-N 377.496 2.957 0 40 GFAB C[C@@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)n1nc(C(F)(F)F)ccc1=O 1888964359 GTUZNRBQNHPXNQ-JTQLQIEISA-N 377.326 2.852 0 40 GFAB O=C(CCN1CCCCC1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840783 QRVKXYANDKZPHE-QHCPKHFHSA-N 399.535 2.677 0 40 GFAB CCOc1ccc(N2CCn3c2nn(Cc2ccccc2Cl)c(=O)c3=O)cc1 8849577 OPGBXEYGSSDYJS-UHFFFAOYSA-N 398.850 2.657 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1C 9037021 JXBKBCXZWLZWMN-MRXNPFEDSA-N 388.489 2.643 0 40 GFAB Cc1ccccc1[C@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCS1 219283916 WWMBXIPORFHQJJ-GOSISDBHSA-N 396.578 2.673 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1Cl 44225474 FKWRDJUCUUSSAI-INIZCTEOSA-N 381.810 2.976 0 40 GFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(c3ccn(C)n3)CC2)cc1 575616608 RLTKBPOAUDGHQO-UHFFFAOYSA-N 389.521 2.551 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2095353 SVYHFIUVFJSAER-IUUKEHGRSA-N 387.432 2.665 0 40 GFAB biogenic COc1cc(CNC(=O)c2ccn(C)c(=O)c2)ccc1OCc1ccccc1 40059860 YDWBVRWCUDSIEU-UHFFFAOYSA-N 378.428 2.903 0 40 GFAB CN1CC(=O)N(CCCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1=O 40012257 XQCHHCRCVRODNU-CYBMUJFWSA-N 381.885 2.667 0 40 GFAB O=C(CCN1CCC[C@H]1c1ccsc1)NN1C(=O)NC2(CCCCC2)C1=O 40154235 VVDMIICNXINBMU-HNNXBMFYSA-N 390.509 2.561 0 40 GFAB Cc1nc2cc(C(=O)OCC(=O)NC[C@@H]3CCCO3)ccc2n1-c1ccccc1 10992694 LUJJQSHINVLBQZ-SFHVURJKSA-N 393.443 2.786 0 40 GFAB Cc1nn(C)c(C)c1CN(C)c1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 36613413 MBPHMQLJTOTCBG-UHFFFAOYSA-N 379.390 2.883 0 40 GFAB Cc1nn(CCNC(=O)c2cc(-c3ccccc3)nc3ncnn23)c(C)c1Cl 36619580 MPWVSQMGOWJIQZ-UHFFFAOYSA-N 395.854 2.688 0 40 GFAB CCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccn(CC)n3)nc21 36617226 RXDMAIZFLCNSOM-UHFFFAOYSA-N 387.465 2.924 0 40 GFAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 804294 YDGXRNSIAKNLOL-INIZCTEOSA-N 382.416 2.544 0 40 GFAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 11364105 SQUPRQUQNJYXKB-ZDUSSCGKSA-N 389.452 2.799 0 40 GFAB COc1cncnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 1098010 YFTQNBVOBUGXJO-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB COCCNc1oc2c(c1-c1cccc3ccccc13)c(=O)n(C)c(=O)n2C 11615606 HWFOZKXWSDGURJ-UHFFFAOYSA-N 379.416 2.709 0 40 GFAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 7872007 QJCUEJIOAMWPIS-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB O=C(CN1CCN(C(=O)CC2CCCC2)CC1)Nc1ccccc1OC(F)F 29664802 GMNQPXIWTYZDEN-UHFFFAOYSA-N 395.450 2.951 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)c1 21267450 RPZAHJFDOQXRBS-GFCCVEGCSA-N 398.394 2.580 0 40 GFAB CCOC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2s1 2634178 AEPYCRVLZRBZMB-UHFFFAOYSA-N 382.463 2.985 0 40 GFAB Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Br)cc1C 11915257 URMRXHPPSWRFFB-UHFFFAOYSA-N 384.255 2.512 0 40 GFAB COc1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1Cl 57364040 XHOOVCTYIQPVOS-UHFFFAOYSA-N 375.856 2.815 0 40 GFAB Cn1c(S)nc2cc(C(=O)NCc3ccccc3OC(F)F)ccc2c1=O 102399188 ZSJFCWIIXMMRTB-UHFFFAOYSA-N 391.399 2.754 0 40 GFAB CCCCn1c(=O)n(C[C@@H](O)c2ccccc2)c(=O)c2c1ncn2CCC(C)C 32882651 XZJAYMCYXRZLQJ-GOSISDBHSA-N 398.507 2.940 0 40 GFAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(CN2C(=O)CNC2=O)c1 32900969 ZGGYTUKAZWJXOY-UHFFFAOYSA-N 381.476 2.685 0 40 GFAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)cc1 32918689 VLBHQAAGRQFCMF-IBGZPJMESA-N 378.538 2.590 0 40 GFAB COC(=O)Nc1ccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 53371039 SYGRBDGUBAGIDF-UHFFFAOYSA-N 396.852 2.608 0 40 GFAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1nc2ccccc2s1 12409699 GCCKWVUHTQGALA-NHYWBVRUSA-N 383.429 2.580 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CCn1nnc2ccccc2c1=O 58381233 SDWPGTHUSDQETG-UHFFFAOYSA-N 387.237 2.891 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(CCOc2ccccc2)CC1 23718785 LWEQENINUMALGE-UHFFFAOYSA-N 396.487 2.664 0 40 GFAB COc1ccc(SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 23702895 SAMVEULYELUMGJ-LJQANCHMSA-N 386.517 2.805 0 40 GFAB O=C1CC[C@]2(C(=O)Nc3nnc(C4CCC4)s3)N=C(O)c3ccccc3N12 61720823 XCTYGBNIHRFRIA-SFHVURJKSA-N 383.433 2.586 0 40 GFAB Cc1c(F)cccc1CN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 108534762 YHZGXJYLPOLFTK-KRWDZBQOSA-N 396.528 2.730 0 40 GFAB COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1cccs1 25080100 VZXMLOPVZPMRII-GOEBONIOSA-N 386.473 2.830 0 40 GFAB Cc1cc(N2CCC(NCc3cc(C)[nH]n3)CC2)nc(-c2ccccc2O)n1 102663069 UGPYRLXIZLGKCX-UHFFFAOYSA-N 378.480 2.948 0 40 GFAB COCCNC(=O)c1ccccc1NCC(=O)N1CCC[C@@H]1c1cccs1 26221361 DDEMLJUQHCPXSC-QGZVFWFLSA-N 387.505 2.900 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)Nc3cccc(-c4nnco4)c3)CC2)no1 44086158 KPKACUOYEZASSB-UHFFFAOYSA-N 396.407 2.916 0 40 GFAB CCC[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2097035 PYYYPSSZELDUHL-HNNXBMFYSA-N 375.421 2.721 0 40 GFAB biogenic CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2148089 WRYNFKDCCOOQAP-CJNGLKHVSA-N 375.421 2.937 0 40 GFAB biogenic O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 10454874 NZIPFDKWGFVCBJ-MRXNPFEDSA-N 395.434 2.622 0 40 GFAB CCOC(=O)C1=C(CN(C)Cc2ccc(C(F)(F)F)cc2)NC(=O)N[C@H]1C 12751015 GSESAOTZBBAFJN-NSHDSACASA-N 385.386 2.656 0 40 GFAB COCCN1CC[C@]2(CN(Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306129919 IQQLTRAKSMRJIT-GHTZIAJQSA-N 386.496 2.522 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)C1=O 48344898 DWYYABAQHIXYJM-QGZVFWFLSA-N 375.469 2.619 0 40 GFAB O=c1[nH]c2ccccc2n1CCCSc1nnc(NC[C@H]2CCCO2)s1 12804576 GQVDWRNMVWNVKL-GFCCVEGCSA-N 391.522 2.954 0 40 GFAB COc1ccc(-c2noc(Cn3cnc4cc(F)ccc4c3=O)n2)c(OC)c1 12845046 YTUXSNQPWSDVJY-UHFFFAOYSA-N 382.351 2.651 0 40 GFAB O=S(=O)(c1ccc(Sc2nnnn2C2CCCC2)nc1)N1CCCCC1 8339931 AUPGYIXXAOFGCX-UHFFFAOYSA-N 394.526 2.509 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12978011 PZQYLUNBQZZQTL-MRXNPFEDSA-N 399.878 2.752 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)CN2C(=O)CCOc3ccccc32)cc1 13007307 OINCSJMMGCQATR-UHFFFAOYSA-N 395.459 2.713 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 20014027 JZCBXQVICMTNBS-MRXNPFEDSA-N 390.505 2.892 0 40 GFAB Cc1cccc(Cn2c(=O)n(CC(=O)N3CCCCC3)c(=O)c3sccc32)c1 6662577 RLYLULPFMDRRSC-UHFFFAOYSA-N 397.500 2.594 0 40 GFAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1oc(-c3ccccc3)cn12 6660642 ORJLOKNZARBUKV-UHFFFAOYSA-N 390.374 2.795 0 40 GFAB CCN(Cc1cnn(C)c1)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 66455253 MNFPIWTUYVNNGF-UHFFFAOYSA-N 399.520 2.509 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccc2O1 6810847 ISSNFESSENVUQU-KRWDZBQOSA-N 375.808 2.994 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 18134549 SBJOGHQPCCSRSC-MRXNPFEDSA-N 376.503 2.952 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 15418730 RLSLYULOBPCSOO-UHFFFAOYSA-N 397.378 2.773 0 40 GFAB O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 8707422 HHCHZLQOUYMJIP-UHFFFAOYSA-N 390.443 2.810 0 40 GFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16035055 BTPZSMSANXHFEL-IYWMVGAKSA-N 376.387 2.930 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)OCc1cc(Cl)c2c(c1)OCO2 7742587 WFDWSDLSDCBNGC-UHFFFAOYSA-N 387.775 2.798 0 40 GFAB CC1CCC(N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 16455816 UFUWBCFPCPTLFX-SKMDKRRUSA-N 375.444 2.630 0 40 GFAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)c2ccc(CNC(C)=O)s2)n1 9113481 HXTSZRCCNMONPC-SNVBAGLBSA-N 379.507 2.784 0 40 GFAB CC(C)Cn1cc(C(=O)NCc2nnc3ccccn23)c2ccccc2c1=O 72406320 CDGPCJAHRRBUIK-UHFFFAOYSA-N 375.432 2.630 0 40 GFAB O=C(O)c1ccc(CCC(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1 95424392 QEIBWPWEEWPQEC-UHFFFAOYSA-N 376.416 2.618 0 40 GFAB CCOC(=O)C1(N(C)CC(=O)NCCc2c(F)cccc2F)CCCCC1 84791219 WGGVEQLFNYHHHI-UHFFFAOYSA-N 382.451 2.821 0 40 GFAB O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 79023553 NXXZLMVMWMDBKZ-SJORKVTESA-N 386.427 2.802 0 40 GFAB O=C(NCC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2ncccn2)C1 67833253 JDDSHSLPOCGYOQ-OAQYLSRUSA-N 393.535 2.721 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 408607068 PXEQQYMGCQIRDD-UHFFFAOYSA-N 382.526 2.935 0 40 GFAB CCn1ncc2cc(C(=O)NCc3cc4ccccc4n(C)c3=O)c(C)nc21 553630874 VHDWYYGECPOXBR-UHFFFAOYSA-N 375.432 2.542 0 40 GFAB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(CC)C(=S)N2C)c2ccccc21 39556841 YLRRUUXJIGKQJN-PDGQHHTCSA-N 398.532 2.929 0 40 GFAB Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CCCn3cnc4c(N)ncnc43)C2)cc1 1520127416 TUZDHYCPXBIECQ-WBVHZDCISA-N 378.480 2.902 0 40 GFAB COc1ccc(Oc2cc(C)nc([C@H]3CCCCN3C(=O)CNC(C)=O)n2)cc1 72384136 ZRGKYVKLQMHHAF-GOSISDBHSA-N 398.463 2.776 0 40 GFAB C[C@H](O)C[C@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1 35456118 VIHRKOVEWCGJQP-ZAWFLINUSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro O=C(Nc1nc(C(=O)NCc2nc(-c3ccccc3)no2)co1)c1ccsc1 70638699 LQKWXKYYSPVRHU-UHFFFAOYSA-N 395.400 2.968 0 40 GFAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)C1CCCCC1 71980584 HITFWAYAVWRVCO-IBGZPJMESA-N 386.492 2.871 0 40 GFAB COc1ccc(CNC(=O)c2nc(-c3ccc(Cn4ccnc4)cc3)no2)cc1 31806922 POKKIMXCZDYSDD-UHFFFAOYSA-N 389.415 2.920 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(OC)c1 35485519 AALVAOSULXSDMX-JHVJFLLYSA-N 395.503 2.879 0 40 GFAB Cc1cc(N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)n2ncnc2n1 35315018 IEAYCZYXLYMVSL-OAHLLOKOSA-N 384.871 2.619 0 40 GFAB O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cnn2c1CCC2 562691084 MDDQRUVQBVIZQX-CQSZACIVSA-N 385.468 2.696 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NC1CCCC1 72404058 QHHMEMPTGRVOGF-AWEZNQCLSA-N 378.904 2.619 0 40 GFAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C)c1C 223719238 JSMTUCQIMRFJOS-MOPGFXCFSA-N 386.521 2.963 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 45866084 KOMNZTVOVAYXLT-UHFFFAOYSA-N 379.381 2.910 0 40 GFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220759140 SYLBKTXJLZBHGH-ZDUSSCGKSA-N 378.432 2.883 0 40 GFAB COc1ccc(NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1 220060288 AWPXEMHLXCKRJF-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 96374614 VVWYAHYSFVOUIL-UHFFFAOYSA-N 393.484 2.891 0 40 GFAB O=C(N[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)[C@H]1CCOC1 96079077 ARRVTCHOCUNICD-QFBILLFUSA-N 378.476 2.612 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(N4CCCC4)c(F)c2)[C@H]3C1=O 248182257 ZILOSTZZASHIHE-NXWNEQKCSA-N 399.466 2.555 0 40 GFAB Cc1ccc([C@@H](C)CCN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)o1 247892784 GGFJRLASEJGKRN-CZTZKLFOSA-N 392.540 2.664 0 40 GFAB CC[C@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)O 256027979 MLMSWCIYLVQOMX-KRWDZBQOSA-N 381.384 2.818 0 40 GFAB C[C@]1(O)CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Oc1cccc(Cl)c1 257273692 NHSQYBZFUGCNNV-ROUUACIJSA-N 381.881 2.933 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@@H]1CCCO1)[C@]1(C2)NC(=O)c2ccccc2O1 253596917 XZNQWQJQXLWDJQ-FWRRYORGSA-N 384.476 2.627 0 40 GFAB CN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)COc1ccccc1 257243685 IICXXMHWJUPQTL-IBGZPJMESA-N 381.476 2.871 0 40 GFAB FC1(F)CCC(N2CC3(CN(Cc4ccccc4)C[C@@H]4COCCN43)C2)CC1 604381545 HMAKCNQFMYAIEC-HXUWFJFHSA-N 391.506 2.835 0 40 GFAB biogenic,in-vitro CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)c1F 253471845 GBJKJDKTZLTZQW-PXUDHTSWSA-N 391.468 2.940 0 40 GFAB CC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@H](F)C2)CCS1 1611791029 TXMUNLOWCAIVPW-HUUCEWRRSA-N 395.548 2.984 0 40 GFAB CCCCN1CCOC[C@@H]1C(=O)NC1CCN(c2cc(C)ccc2F)CC1 1615001381 GVRFWTWOOLUEON-HXUWFJFHSA-N 377.504 2.720 0 40 GFAB O=C(NCc1ccc2cccnc2c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 633425900 WDCOYYZNJAQBPL-UHFFFAOYSA-N 376.464 2.867 0 40 GFAB CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 676020778 MWJXTOKCCBCYKD-INIZCTEOSA-N 384.436 2.543 0 40 GFAB Cc1cccc(C(=O)N2Cc3cncn3[C@H](C(=O)NCCc3cccs3)C2)c1 585096221 ZONWKYXNKVVAPH-IBGZPJMESA-N 394.500 2.809 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CC[C@@H](C)[C@H](O)C2)C3)cc1 585104567 QJIQCHIWWZSYJA-HMXCVIKNSA-N 386.536 2.709 0 40 GFAB C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[C@@H](O)COCc2cccs2)C1=O 51381369 XCSKAPUHYDWYSY-KDOFPFPSSA-N 394.880 2.746 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1nc3c(s1)CCCC3)CS2 90609731 XMNSSNGGBVVOLO-LLVKDONJSA-N 390.534 2.810 0 40 GFAB Cc1ccn(-c2ccc(N3CCN(c4nccc5sccc45)CC3)nn2)n1 572676091 LYHBRSWEWDOLAV-UHFFFAOYSA-N 377.477 2.907 0 40 GFAB O=C(CCc1cccnc1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157538 KTVZCJZLGVNCHO-QFIPXVFZSA-N 397.450 2.578 0 40 GFAB CCCn1cc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615124618 XAKMYJSEMVLNSL-UHFFFAOYSA-N 386.471 2.830 0 40 GFAB COCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(OC)cc1)N2 5200803 GJKPKDDWCHXMBJ-UKRRQHHQSA-N 398.385 2.928 0 40 GFAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCOCC1 5481929 GSFAMTKCRYFSKD-OAQYLSRUSA-N 380.488 2.818 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c(=O)n12 12181885 NDZNHKQERSICRC-GASCZTMLSA-N 381.480 2.957 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2CC[C@@H]1C2 16551868 RTARCSWGSRIDLF-MVJTYMMSSA-N 376.884 2.731 0 40 GFAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)c1cc2ccc(F)cc2[nH]1 19346772 WIXHIPCXQCSLBH-AWEZNQCLSA-N 392.438 2.559 0 40 GFAB Cc1cccc([C@@H]([C@@H](C(=O)c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366162 ITRIZILBESUUJP-GOTSBHOMSA-N 394.515 2.952 0 40 GFAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 19497317 RNFROKGSDUWJRJ-IYBDPMFKSA-N 396.491 2.679 0 40 GFAB COCCC(=O)N1CC[C@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 19593067 FHLBZQUFDHOCHO-HSZRJFAPSA-N 396.487 2.645 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@H](C(=O)N3CCCCCC3)C1)n2C 19747361 UTHQUMKCOLLEGA-FQEVSTJZSA-N 383.492 2.730 0 40 GFAB COc1ccc2cnc(C3CCN(CC(=O)CN4CCCC4=O)CC3)cc2c1C 12188141 VQZNFGWCTISPQF-UHFFFAOYSA-N 395.503 2.923 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c(F)c1 19551771 MBZSIOHOQZHUBN-OAHLLOKOSA-N 395.438 2.754 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889205345 KOKGRAKOZBLLLG-GOEBONIOSA-N 377.897 2.943 0 40 GFAB COc1ccc(CNC(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1OC 238893082 QUMRPPZORWJDKF-QGZVFWFLSA-N 381.436 2.536 0 40 GFAB Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1F 4479719 AAEZVFLSEIKXJQ-AWEZNQCLSA-N 385.395 2.832 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4499673 UYUGHYMWQLYGEF-HNNXBMFYSA-N 392.864 2.626 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)Nc3ccc(OC)cc3OC)CC2=O)c1 5189865 ZDJLAYQPQILUCK-CYBMUJFWSA-N 385.420 2.639 0 40 GFAB C[C@@H](NC(=O)c1cn(C)c2c(=O)n(-c3ccccc3)c(=O)[nH]c12)c1ccccc1 9819732 JAAANPYUBXONRA-CQSZACIVSA-N 388.427 2.509 0 40 GFAB O=C(Cc1ccccc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665763 CZIVOIFUSRRBBP-UHFFFAOYSA-N 379.807 2.548 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 40062903 GVMIQQVNEAUTAY-APWZRJJASA-N 375.488 2.669 0 40 GFAB CN(C(=O)C1(c2ccc(Br)cc2)CCC1)[C@H]1CCS(=O)(=O)C1 40051599 LBQSEKLPOQQWQM-AWEZNQCLSA-N 386.311 2.516 0 40 GFAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc2c(c1)CCN2C(N)=O 40155829 ZVDJBMFOUONBEX-UHFFFAOYSA-N 397.859 2.741 0 40 GFAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)n1 40154344 IEECCDQPAXIAIZ-CQSZACIVSA-N 386.500 2.634 0 40 GFAB CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)O)sc2c1CCN(C)C2 1926048 AHQYYXJHVBZBFM-UHFFFAOYSA-N 388.445 2.863 0 40 GFAB COc1ccccc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1OC 3446289 UQAYAVLOSSWOOX-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)Nc3cccc(C)c3)c(=O)c2c1C 4563614 APCBYULXXWTJFZ-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB O=C1C=C(N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccccc1 4772620 FJKBTTMPBGWOHW-UHFFFAOYSA-N 390.468 2.876 0 40 GFAB Fc1ccc(N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 4859020 IKBBMHVRASGAHY-UHFFFAOYSA-N 389.438 2.735 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107884 BZAFOZIMWKIPBJ-UHFFFAOYSA-N 379.771 2.530 0 40 GFAB CC(=O)N(C[C@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100113929 MVHKFIURSMGIOK-ROUUACIJSA-N 386.835 2.554 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2ccc(C(F)(F)F)n2)c(C)c1 8087019 VXODSBIRDKSFKF-UHFFFAOYSA-N 382.386 2.924 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 8433781 ZQMTWVHYLWDEAV-HNNXBMFYSA-N 398.390 2.563 0 40 GFAB COc1ccccc1N(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2C1=O 10387605 YHPUEAPVFKVMNN-UHFFFAOYSA-N 392.333 2.887 0 40 GFAB CCc1cccc(C)c1NC(=O)CNc1ccc(OC)c(-n2nnnc2C)c1 102395515 DDSZESGXAWDFMT-UHFFFAOYSA-N 380.452 2.901 0 40 GFAB Cc1nn(C)c(Cl)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 32876578 MWQOMYYLDWWAEE-UHFFFAOYSA-N 396.900 2.809 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCc1ccccc1Cn1ccnc1)c1ccccc1 32860000 SOOAWHMPQLRPHL-NRFANRHFSA-N 376.460 2.815 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@H]2CC[C@H]3N2Cc2ccccn2)cc1 100221780 JCCBQIVZLCZLNY-YLJYHZDGSA-N 394.500 2.933 0 40 GFAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1Cl 23155371 OFWLPKIVHOJWFD-UHFFFAOYSA-N 381.885 2.742 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cc(C)cc(C)c3)ccc21 22496353 UHRFSKUHWUFWNU-UHFFFAOYSA-N 388.489 2.570 0 40 GFAB CN(CC(=O)Nc1ccccc1N1CCCCC1)S(=O)(=O)c1cccs1 12527758 FEXRCYFDUZWZKU-UHFFFAOYSA-N 393.534 2.998 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2cc(F)ccc2F)cc1 24293251 QRXVZYOPKWGSPY-GOSISDBHSA-N 396.459 2.625 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2ccccc2F)CC1 12564245 OLQIVRFYZWOZDD-SFHVURJKSA-N 385.464 2.977 0 40 GFAB COc1ccc(CCC(=O)NCc2ccc(-n3cccn3)nc2)c(OC)c1OC 55101249 YYCPCSCCIAPAFM-UHFFFAOYSA-N 396.447 2.542 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)c2ccccc2O1 24982846 KLXZABGRCDQEJI-KRWDZBQOSA-N 377.400 2.804 0 40 GFAB C[C@@H]1C[C@@H](OC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C(=O)O1 34892229 PKNXKRFILRCMEG-NYRNMGCKSA-N 389.351 2.756 0 40 GFAB CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2cc(C)no2)CC1 25437332 GJJOFPQDUUCFKO-QGZVFWFLSA-N 375.473 2.595 0 40 GFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 20451865 OTMUEJSOEAXYRG-IBGZPJMESA-N 390.505 2.892 0 40 GFAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NC[C@@H]1CCOc2ccccc21 108822524 MXLWDLIWPVQHCO-HNNXBMFYSA-N 380.448 2.667 0 40 GFAB O=C(NCc1ccccc1OC(F)F)c1ccc2c(=O)n3c(nc2c1)CCC3 10114946 HCHOITSORYFLHO-UHFFFAOYSA-N 385.370 2.874 0 40 GFAB COc1ccc2cc(CN(C)C(=O)CN3CCCC[C@H]3CC(N)=O)ccc2c1 58265214 XKDJMPNCTUWHMS-IBGZPJMESA-N 383.492 2.537 0 40 GFAB CCCCn1nc(C(=O)N(CCOC)[C@@H]2CCSC2)c2ccccc2c1=O 36396247 DXFZBUIMVOFIHW-OAHLLOKOSA-N 389.521 2.791 0 40 GFAB CCOC(=O)[C@]1(C(F)(F)F)N=C(c2cccnc2)OC(N2CCCCC2)=N1 2317045 LPIWIHWQKBLURN-INIZCTEOSA-N 384.358 2.522 0 40 GFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@@H](C)n1c(C)ccc1C 48374027 KVANTBJYERWJER-MRXNPFEDSA-N 384.480 2.642 0 40 GFAB Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)ccc1Cl 3487540 OVCUSZKYNMPORR-UHFFFAOYSA-N 377.780 2.938 0 40 GFAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 12993509 NODKSJANCYZUQG-UHFFFAOYSA-N 385.370 2.874 0 40 GFAB CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)N2CCOCC2)=C1C 12979858 HDEXXHZHKNWHKK-INIZCTEOSA-N 397.397 2.924 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CC(=O)O)c2ccccc2)C1=O 13428007 DCHUISHEHHPLIQ-HOCLYGCPSA-N 382.416 2.523 0 40 GFAB Cn1ccnc1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 6143717 RFAAMIUSEQHVAI-UHFFFAOYSA-N 381.885 2.869 0 40 GFAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 69743044 QQKITRQYYXGMPE-UHFFFAOYSA-N 398.511 2.580 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1C 6582022 CAIDCKOCJGUCIT-SFHVURJKSA-N 394.500 2.984 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1Cl 4813822 PUMNDTYXPOIQBA-JTQLQIEISA-N 386.832 2.793 0 40 GFAB Cc1ccsc1CN(C(=O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 6810215 BZYYMVWKTJHVPH-HNNXBMFYSA-N 397.493 2.790 0 40 GFAB Cc1ccccc1OCC(=O)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 408738037 IFKSADSNSBBJOY-QGZVFWFLSA-N 379.338 2.656 0 40 GFAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1 15182259 OLZHYIHIMBGTDN-UHFFFAOYSA-N 399.878 2.947 0 40 GFAB COC(=O)c1cc(O[C@H](C(=O)NC2CC2)c2ccccc2)cc(C(=O)OC)c1 7150723 HUWPPGKHVYCPJD-SFHVURJKSA-N 383.400 2.659 0 40 GFAB Nc1nc(CSc2nc3ccccc3c(=O)n2CCCO)nc2ccccc12 8726027 MUYMEZGEMMSIMJ-UHFFFAOYSA-N 393.472 2.597 0 40 GFAB CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 8984187 KKWUKFWRYANIFP-UHFFFAOYSA-N 393.490 2.743 0 40 GFAB COC(=O)[C@@H](O)C1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 83884290 KQSDPANWSZMLKJ-HNNXBMFYSA-N 399.369 2.501 0 40 GFAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857063 FSKQVKXZHCHXGP-FQEVSTJZSA-N 386.517 2.587 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccccc1CN1CCCCC1 9515808 TXONGELAMDWGIQ-UHFFFAOYSA-N 390.487 2.699 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 72284251 BZQMALMFBMZXDC-NHYWBVRUSA-N 386.851 2.808 0 40 GFAB O=C(c1ccsc1)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306137543 QZKXEMBIYSYLRX-MSOLQXFVSA-N 378.457 2.666 0 40 GFAB CC(C)c1ccc([C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)c2cccs2)cc1 9984371 SNJGZRZOUYJVKB-LJQANCHMSA-N 383.473 2.627 0 40 GFAB COc1ccccc1N1CCN(Cn2nc(-c3cccs3)ccc2=O)CC1 79492697 ACRJHEILVIVKFT-UHFFFAOYSA-N 382.489 2.760 0 40 GFAB COc1ccc2cnn(CC(=O)Nc3ccc4cc[nH]c4c3)c(=O)c2c1OC 79482838 OABIKJGCADXGSK-UHFFFAOYSA-N 378.388 2.534 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408595097 TVLGOJIUFRRMPG-HUUCEWRRSA-N 382.526 2.980 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2)cc1 409240873 QLQYDMMRWMIBNG-UHFFFAOYSA-N 383.517 2.935 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1OC 38729011 NRFAFZVUPWRRRK-RBUKOAKNSA-N 394.471 2.792 0 40 GFAB Cc1cc(-c2cnc(N3CCN(c4ncccn4)CC3)nc2C(C)(C)C)on1 72341129 DKABQJRYAOPIGU-UHFFFAOYSA-N 379.468 2.854 0 40 GFAB CCn1c(CCNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)nc2ccccc21 78500704 AETYMJLVJLYQDI-ZDUSSCGKSA-N 378.432 2.748 0 40 GFAB Cc1cccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 223909419 LWNJLJYDHOBLIO-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB CC(C)C(=O)Nc1cc(C(=O)NCCCc2ccc3c(c2)OCCO3)ccn1 566870788 LUQLOWGCDSTUHZ-UHFFFAOYSA-N 383.448 2.810 0 40 GFAB Cc1cccc(OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1C 223912541 XMGKAUNNGNYRKX-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(=O)c2ccccc2o1 225710739 ICEGVDQGEMKZGG-QFIPXVFZSA-N 379.412 2.756 0 40 GFAB O=C1OC[C@@H]2CCN(S(=O)(=O)Cc3ccccc3)Cc3ccc(F)cc3N12 225485340 CPUONOCYHFAEKD-KRWDZBQOSA-N 390.436 2.887 0 40 GFAB biogenic,in-vitro COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(C)C 223367984 DJQFXNRFSKQXMO-JKSUJKDBSA-N 396.553 2.976 0 40 GFAB COc1cc(CN2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)cc(OC)c1OC 246430667 JIAYDAIMXLLOBF-YRWFTTLQSA-N 388.508 2.793 0 40 GFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 247769327 NCBMYTSFKJNSSQ-RKVPGOIHSA-N 394.475 2.792 0 40 GFAB CC(=O)Nc1nc(C)c(C(=O)N2[C@@H]3CN(C)[C@@H]4CCCC[C@H]2[C@]4(C)C3)s1 257258450 KTXKTGSRSKHOLI-QCUYGVNKSA-N 376.526 2.887 0 40 GFAB O=C(CN1CCCC[C@H](O)C1=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 644338516 JTCYUPOLMBHXAO-INIZCTEOSA-N 389.839 2.839 0 40 GFAB C[C@H](NCCc1ccc2c(c1)OC(F)(F)O2)c1cccc(S(N)(=O)=O)c1 652316070 LYLJNEKTDZOCBE-NSHDSACASA-N 384.404 2.549 0 40 GFAB O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)N1CC2(CCCOC2)C1 672878045 ICISAZYPVWUCML-CQSZACIVSA-N 381.423 2.689 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](O)C2)C3)cc1F 585103027 BHGBGFTZRMXRGX-RTBURBONSA-N 390.499 2.602 0 40 GFAB CC(C)N1C[C@@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CC1=O 585104953 WMCFPNXXWXNOBH-HXUWFJFHSA-N 386.521 2.664 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 72339071 HENRGOQCCGDMFN-GFHCSAFJSA-N 397.519 2.543 0 40 GFAB O=C(Cc1ccsc1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156752 KVVUGSNKCYOISJ-FQEVSTJZSA-N 388.464 2.854 0 40 GFAB CCOc1cccc(C(=O)N2CCC[C@H](N(C)C(=O)c3cncnc3CC)C2)c1 1615610966 HQJSPQLVMKDDPE-KRWDZBQOSA-N 396.491 2.815 0 40 GFAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 5864148 QFPMYZOWFXTLRX-MRXNPFEDSA-N 395.459 2.583 0 40 GFAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(Cc1ccccn1)C1CC1 12223141 AGYNDJRXPCAVGV-UHFFFAOYSA-N 385.489 2.870 0 40 GFAB COc1ccc(-c2cc3nc(CCNC(=O)c4ccccc4F)nn3cn2)cc1 12234657 GCUMIOBTKXBXTR-UHFFFAOYSA-N 391.406 2.912 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCC(O)CC3)c2)cc1 12548630 YIXWZOOMZZCHLV-UHFFFAOYSA-N 388.489 2.829 0 40 GFAB COc1ccc2c(O)c(NC(=O)N3CCN(c4ccccn4)CC3)cnc2c1 13566030 LQQMIOUBWYOQGG-UHFFFAOYSA-N 379.420 2.698 0 40 GFAB Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)[C@@H]1CCCCO1 19291739 PHOAEFYDQFRJFM-SFHVURJKSA-N 397.454 2.775 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCNCC2)C1 19331627 MBLLWNGOQBJFFL-QFIPXVFZSA-N 397.544 2.661 0 40 GFAB O=C(CCn1ncc2ccccc21)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 19376597 DTZCVUTZSTWSSI-SFHVURJKSA-N 387.447 2.970 0 40 GFAB CN1CCc2nc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 19590502 PFTYEGPISJSKEX-IBGZPJMESA-N 390.491 2.637 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2=O)c(C)c1 19666377 PTOWZLMWJWCYAJ-AWEZNQCLSA-N 379.416 2.626 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)c3cn4cc(Cl)ccc4n3)CC2=O)cc1 19716850 KZLWAGZKEGGKTD-ZDUSSCGKSA-N 384.823 2.532 0 40 GFAB COCCN1C(=O)CN(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O 239808108 KHQNQDCDMCJXMQ-UHFFFAOYSA-N 399.413 2.580 0 40 GFAB COc1ccn2c(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cnc2c1 569962431 WZFQFRPYQYDTSP-MOPGFXCFSA-N 390.487 2.937 0 40 GFAB CC(C)CN(C(=O)c1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 6509392 FXWSHGSPAYOYHD-UHFFFAOYSA-N 392.887 2.731 0 40 GFAB Oc1cc(C(F)F)nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)n1 1888856822 IXYHDDIJXOATRP-UHFFFAOYSA-N 381.330 2.922 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncnc3c2ccn3C)CC1 1889218121 BLMQTZXHRZPLQQ-UHFFFAOYSA-N 388.475 2.903 0 40 GFAB CSc1ncc(Cl)c(C(=O)N2CCN(Cc3csc(C)n3)CC2)n1 31260856 BNPXDBJETUMKKW-UHFFFAOYSA-N 383.930 2.575 0 40 GFAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1cccc2ccccc12 4940952 QRYPROLZOAWDOV-UHFFFAOYSA-N 387.443 2.505 0 40 GFAB Cc1ccc(CNC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 16851210 NBIFAPMCIKIESM-UHFFFAOYSA-N 396.472 2.641 0 40 GFAB O=C(NCc1ccc(F)cc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147154 QHRSSLBGGXVLBL-AWEZNQCLSA-N 395.232 2.741 0 40 GFAB Cn1cc(-c2cncc(N3CCN(c4nccc5sccc45)CC3)n2)cn1 2298231425 QPWMVNFZQXJDBF-UHFFFAOYSA-N 377.477 2.813 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)S(=O)(=O)c1nc2ccccc2s1 40152188 SBULHIYSMVJUAB-LBPRGKRZSA-N 390.486 2.784 0 40 GFAB COCCc1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 30495143 MZBQEDRDLFRCFE-UHFFFAOYSA-N 375.446 2.770 0 40 GFAB C[C@H]1Cc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2N1S(C)(=O)=O 15636996 AZWBKNFZYAILTB-JTQLQIEISA-N 377.491 2.595 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)cc1 783279 LECRIBPEHSQIOA-UHFFFAOYSA-N 385.449 2.800 0 40 GFAB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 2630982 YOOJIDFDROOZFJ-SFHVURJKSA-N 383.448 2.918 0 40 GFAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)C1=O 3459479 ZRYZYZCUGOPRKS-UHFFFAOYSA-N 377.441 2.533 0 40 GFAB Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc6c(c5)OCO6)(C4)C2)C3)n1 101095420 NJJMRSHUKAXXAS-NILVNCKXSA-N 381.436 2.644 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)c(F)c1 51316862 FNMLJBYRNCOOQS-UHFFFAOYSA-N 383.408 2.706 0 40 GFAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)NC1CCCC1 4859128 KKORZQTUVQYIRJ-UHFFFAOYSA-N 386.521 2.810 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 4883486 BLAOZTMTPWSXMP-HNAYVOBHSA-N 394.537 2.791 0 40 GFAB COc1ccc([C@@H](C)NC(=O)N2CCN(c3nccs3)CC2)c(OC)c1 46078812 VTRCOOMPAOHWAG-CYBMUJFWSA-N 376.482 2.753 0 40 GFAB COc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)Nc1ccccc1 8091789 BNPLOOVFGWIKPB-UHFFFAOYSA-N 399.516 2.636 0 40 GFAB NC(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8268654 VHRQPDDCLYGRLI-UHFFFAOYSA-N 383.492 2.837 0 40 GFAB CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 46131701 CEHBWKAXORQEFR-UHFFFAOYSA-N 376.522 2.984 0 40 GFAB CC(C)CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 11829623 PXJHKUSMGVTCQX-OAHLLOKOSA-N 389.521 2.830 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)c1 10274232 JYGCQJZOTWMUJJ-UHFFFAOYSA-N 386.429 2.814 0 40 GFAB Cc1noc(C)c1CSCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 32721584 POTJOPPELYQLID-UHFFFAOYSA-N 387.383 2.697 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 32788746 UXRDPALDPSVWDS-GFCCVEGCSA-N 380.408 2.507 0 40 GFAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N1c2ccccc2C[C@H]1C 32736231 MCTJMCGVOQZUAD-CABCVRRESA-N 376.416 2.790 0 40 GFAB O=C(CNc1cccc(Cl)c1N1CCOCC1)Nc1ccc2c(c1)OCO2 32770381 DGVFNHRMYIZQCN-UHFFFAOYSA-N 389.839 2.956 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)c2ccccc2O1 21471976 VQCLIJCOCJOYPG-IBGZPJMESA-N 391.427 2.814 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@H](c1ccco1)N1CCCCC1 29898946 QCHXMSNKWSKSMN-LJQANCHMSA-N 397.475 2.887 0 40 GFAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cccc(C)c3)C1=O)CC2 22609129 JDCZBUXLGZUYSW-SFHVURJKSA-N 380.444 2.702 0 40 GFAB C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)C[C@@H](C)O1 100180433 PEKCVDRHCOETBZ-SCINEHMWSA-N 384.476 2.577 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1C 22805056 WAZNPAMKQJTYSX-UHFFFAOYSA-N 379.504 2.995 0 40 GFAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)C1 42379161 AURZWLDIKJKQAL-HZPDHXFCSA-N 380.558 2.641 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113957249 RERDIPOHCNGXQR-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(O)c2)cc1 944364 NTYKHNUHKNTOIY-GOSISDBHSA-N 377.404 2.920 0 40 GFAB Cc1cccn2c(=O)cc(CN3CCC(C(=O)N4CCCCCC4)CC3)nc12 12599246 UXJHWZVJZURBIA-UHFFFAOYSA-N 382.508 2.618 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 25332035 GXERFDZJDDMCOE-ZBFHGGJFSA-N 375.494 2.612 0 40 GFAB Cn1nnnc1SCCC(=O)Nc1ccccc1SCC(F)(F)F 56455028 KZSWKKUZLGCQTD-UHFFFAOYSA-N 377.417 2.985 0 40 GFAB COc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1OC1CCCC1 56683084 ZURXVVLCTCJLCP-HNNXBMFYSA-N 399.534 2.875 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21 57494314 VVDCKIKOWKRECK-GFCCVEGCSA-N 389.452 2.576 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 12781248 VNEGRWYFLYDWFT-UHFFFAOYSA-N 397.394 2.808 0 40 GFAB C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(NC(N)=O)cc1 58053051 LQIZWXPAQQDRAJ-PBHICJAKSA-N 385.468 2.968 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)ccc1F 22227400 HOOOZKBRFDAMOD-UHFFFAOYSA-N 394.443 2.722 0 40 GFAB C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 12805581 CQRRQPREUCKFSM-AWEZNQCLSA-N 394.427 2.711 0 40 GFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 113956978 GZZCVLGTUVNTJS-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB COc1ccc(N(CC(N)=O)S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 12989217 NEYDNOPQOBGUAC-UHFFFAOYSA-N 376.478 2.609 0 40 GFAB COC(=O)C1CCN(C(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)CC1 12910139 WZNTVPPJYNODHC-UHFFFAOYSA-N 381.476 2.669 0 40 GFAB CCc1noc(CSc2nc3sc(C)c(C)c3c(=O)n2CCOC)n1 12911419 NSMKDGOETNARDO-UHFFFAOYSA-N 380.495 2.959 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O 4249233 LLMHVRWZVJHERS-UHFFFAOYSA-N 387.871 2.892 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCc1ccc(Cl)cc1 13724125 SVRGWDGBQNJBQR-UHFFFAOYSA-N 397.862 2.734 0 40 GFAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2[nH]1 8195603 YCANGTJMYCCWNG-UHFFFAOYSA-N 387.417 2.699 0 40 GFAB CC(C)N1C[C@@]2(CCN(Cc3ccco3)C2)Oc2ccccc2S1(=O)=O 306134536 NQOWHFLIKUGEQQ-IBGZPJMESA-N 376.478 2.716 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccc(Cl)cc1 5420473 OJINMUYFYAROKB-UHFFFAOYSA-N 387.867 2.832 0 40 GFAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 28228275 YPKOALCVMLSKOP-LJQANCHMSA-N 387.501 2.898 0 40 GFAB O=C(COC(=O)CCCOc1ccccc1)Nc1ccccc1C(=O)NC1CC1 6933347 XNZIJMLPHAKNQZ-UHFFFAOYSA-N 396.443 2.920 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC(c2nc3ccccc3o2)CC1 8329158 LKVLZHHUWMMFOF-UHFFFAOYSA-N 388.427 2.944 0 40 GFAB CCc1ccc(-n2cc(C(=O)NCCc3ccc(OC)c(OC)c3)nn2)cc1 67262125 PSRNYDSFGNONBM-UHFFFAOYSA-N 380.448 2.819 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 409204471 GWMIUBONEDQGRO-INIZCTEOSA-N 390.505 2.801 0 40 GFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2ccccc2o1 8982291 FHZYGVGYTOUDLB-QGZVFWFLSA-N 390.395 2.788 0 40 GFAB O=C(Cn1nnc2ccccc21)Nc1ccccc1C(=O)NCc1ccco1 8924232 KILBJJQHMBDKNF-UHFFFAOYSA-N 375.388 2.593 0 40 GFAB Cc1cc(C)cc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)c1 71326461 IEIQDAHJDZSZQO-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB CC(C)Oc1ccc(C2=N/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)O2)cc1 96018746 WGUKLLDFFNMGSC-WOJGMQOQSA-N 380.400 2.682 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 19889898 YJXDCYFODFWQFP-HOTGVXAUSA-N 378.513 2.786 0 40 GFAB COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)sc(C)c1C 71878934 AUOCHGYZECPIBY-SECBINFHSA-N 378.372 2.501 0 40 GFAB CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)[C@@H](C)CS(C)(=O)=O 78808584 MVKLWVXGMQKNDO-HRCADAONSA-N 397.541 2.587 0 40 GFAB O=C(CN1CCC(CCCN2CCOCC2)CC1)NCCCc1ccccc1 95468469 GCWJWNWJNGOGGQ-UHFFFAOYSA-N 387.568 2.560 0 40 GFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc2ccccc12 95415851 HLHMEUCFMRZPHE-ZDUSSCGKSA-N 379.441 2.906 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)CC(=O)NC1CC1 98080972 NOIXDXRQSPAOOA-UHFFFAOYSA-N 395.290 2.897 0 40 GFAB CC[C@@](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)(C(=O)O)c1ccccc1 95970010 RPWOHMPOOLBEHG-SFHVURJKSA-N 395.864 2.863 0 40 GFAB C[C@H](NC(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 22536051 ZONYRFQBKARRKI-HNNXBMFYSA-N 378.469 2.507 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 408630460 UXXYNEDQCVUZON-INIZCTEOSA-N 390.505 2.726 0 40 GFAB COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)cc2c1OCO2 36559088 YOHQGFGRJUQCTH-GOSISDBHSA-N 395.367 2.563 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 32604287 ZLTARCKCYHRLDW-KRWDZBQOSA-N 388.489 2.811 0 40 GFAB O=C(O)c1nc(-c2ccccc2)oc1CN1CCn2c(nnc2C(F)(F)F)C1 566362087 PXEDQWCRBQAXEK-UHFFFAOYSA-N 393.325 2.666 0 40 GFAB Cc1c(C(=O)NCCSCc2ccco2)cccc1N(C)S(C)(=O)=O 222431299 VGQICNMGMPEVQG-UHFFFAOYSA-N 382.507 2.647 0 40 GFAB CSc1cccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 220063310 YFAPKOGLXOBAGS-UHFFFAOYSA-N 394.474 2.542 0 40 GFAB Cc1cccc(S(=O)(=O)N(CC(=O)NCC(F)(F)F)c2ccccc2)c1 49581343 ZWCCVWFBVDMAQM-UHFFFAOYSA-N 386.395 2.869 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 225476593 ZLDLXDBYCPHAID-KVSKMBFKSA-N 376.522 2.701 0 40 GFAB COc1cccc(C(=O)NCCOC(=O)c2snnc2-c2ccccc2)c1 223835267 JVCSEHFYNWZWOE-UHFFFAOYSA-N 383.429 2.801 0 40 GFAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915636 ADCHKXRGRFMWFD-QGZVFWFLSA-N 386.467 2.938 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225210216 XLWDZHHKQDEJRZ-MRXNPFEDSA-N 382.460 2.554 0 40 GFAB COCc1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 223889839 SYHSXVKJXOKOGH-OAHLLOKOSA-N 376.478 2.935 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc32)cc1 224234266 CZPCEDWZJZUEQY-UHFFFAOYSA-N 376.503 2.618 0 40 GFAB Cn1ncnc1[C@H]1COCCN1C(=O)Nc1c(Cl)ccc2c1OC(C)(C)C2 574932351 PZSJFWGMCVVBAG-CYBMUJFWSA-N 391.859 2.787 0 40 GFAB CC(C)(C)SCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224695392 FAJQVSPEAVJHSH-UHFFFAOYSA-N 392.974 2.750 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 250016840 YRDXOXZWBPTVBK-YTQUADARSA-N 376.522 2.921 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1Cl 260903951 YMAOKZJPBAEJAG-NWDGAFQWSA-N 376.906 2.664 0 40 GFAB COc1cccc2c1CN(C(=O)N[C@@H]1CCN(Cc3ccc(F)cc3)C1=O)C2 623937193 YBBQCVUCZKOWTA-GOSISDBHSA-N 383.423 2.661 0 40 GFAB COc1ccc(-c2n[nH]c3c2CCN(C(=O)c2ncnc(C)c2C)CC3)cc1 585110429 UDOYGGZBLVXUFC-UHFFFAOYSA-N 377.448 2.733 0 40 GFAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ncn(C)n2)CC1 585106378 MDPIPHUCUMJIGR-UHFFFAOYSA-N 392.463 2.783 0 40 GFAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 54827936 XOEBRSPTMUDQHV-LJQANCHMSA-N 396.487 2.977 0 40 GFAB COc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1-n1cnnn1 96005821 HOYAGOOSSSLIDP-UHFFFAOYSA-N 385.334 2.737 0 40 GFAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1cccc2ccccc12 5240705 KIXVQMSIJMWKCO-MRXNPFEDSA-N 392.411 2.963 0 40 GFAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccn4)CC3)ccc21 12291574 DVHFCNUBIDWAPD-NRFANRHFSA-N 394.519 2.626 0 40 GFAB Cc1nccc(-c2sc(C3CCN(C(=O)c4ccnn4C)CC3)nc2C)n1 12668066 IOOVXIGWYYIQTG-UHFFFAOYSA-N 382.493 2.970 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13001557 WHMPUIOEDGLTSQ-GOSISDBHSA-N 381.428 2.990 0 40 GFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580855 NTCGUXNQEMBOHF-KGLIPLIRSA-N 386.489 2.540 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)c1 16284934 HHGYRRGJDQXCER-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB O=C(NCCSCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 18076000 PFCPXHMSNNZINN-UHFFFAOYSA-N 394.518 2.727 0 40 GFAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)no1)N1CCC(O)CC1 19334009 WPIDWYXHDVDHCT-MRXNPFEDSA-N 387.455 2.790 0 40 GFAB Cc1cc2oc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc(=O)c2cc1C 12143524 FSNMBIAKPHJWAR-UHFFFAOYSA-N 395.459 2.582 0 40 GFAB O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cc(F)cc(F)c1 12326046 MBFYWMODWWQKPB-UHFFFAOYSA-N 378.394 2.817 0 40 GFAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 390825990 WUNHZAQQDICQIF-KBXCAEBGSA-N 386.427 2.583 0 40 GFAB O=S(=O)(NCCN1CCc2ccccc2C1)c1ccc(Br)cc1 12141461 KRAREMQMOVMQBD-UHFFFAOYSA-N 395.322 2.786 0 40 GFAB CCc1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc(C2CC2)n1 1888866679 HPVQJERTWLTLPN-UHFFFAOYSA-N 382.390 2.640 0 40 GFAB Cn1nc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)c2ccccc21 1888921855 PHVZJJXQTBXCMT-UHFFFAOYSA-N 390.447 2.547 0 40 GFAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)sc2n1 27264815 TZKQBHDPLYUCEP-UHFFFAOYSA-N 395.488 2.805 0 40 GFAB Cc1ncccc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839772 CQVTYNAHMJSNAC-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)/C=C\c3ccc(OC)c(OC)c3)CC2=O)cc1 4497189 QHRZUOLNZPLXOL-YLBKJFSISA-N 396.443 2.647 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3-c3cc(C)cc(C)c3)c2=O)cc1 5057238 XCHIVACXPPUDSH-UHFFFAOYSA-N 388.431 2.541 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(F)cc4)nc32)cc1C 5143554 ZXMVGONDNNFTFS-UHFFFAOYSA-N 377.379 2.631 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(CC)cc3)cn2)c1N 21774981 BBRMKAILAYMMTA-UHFFFAOYSA-N 379.420 2.841 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCC(O)CC3)c(O)n2n1 22855213 WOAINXKTUXJFHC-MRXNPFEDSA-N 388.493 2.614 0 40 GFAB Cc1cccc(CS(=O)(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c1 206847461 DBWUUDAKWSWJIT-SFHVURJKSA-N 399.472 2.973 0 40 GFAB O=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccc(C3CC3)nn2)CC1 575620693 SKDVYJDAHJYPMU-UHFFFAOYSA-N 375.432 2.971 0 40 GFAB CC1CCN(C(=O)Cn2c(SCC(=O)NC(C)C)nc3ccccc32)CC1 4859193 JBWRYFAEJZSCAT-UHFFFAOYSA-N 388.537 2.912 0 40 GFAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(O)cc1 10233943 SBTBGNOMQIOAFC-GOSISDBHSA-N 387.461 2.851 0 40 GFAB COC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1 12440313 HUWOUHYSYSUTLB-UHFFFAOYSA-N 394.884 2.866 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c1 19551086 OPDFYHFJKHUVLT-GOSISDBHSA-N 382.464 2.507 0 40 GFAB CCC(=O)Nc1cccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1 2205529 ZWSLSXRKAVJXGJ-UHFFFAOYSA-N 399.476 2.832 0 40 GFAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@@H]2C12CC2)c1ccc(Cl)cc1Cl 100057594 JTZFHKVDVOTUHR-IMIFBBOLSA-N 377.227 2.835 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N(C)Cc1nccn1C(F)F)(C3)C2 40060461 NITLLTFGOHLLHN-BAUKFBFWSA-N 380.439 2.712 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCCc1cnn(-c2ccccc2)c1)c1cccs1 40039451 ILKRFJRQCJFOPC-SFHVURJKSA-N 382.489 2.860 0 40 GFAB O=C(NCCCn1cccn1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 30168939 BHUHUAVYBDHMBM-UHFFFAOYSA-N 379.464 2.530 0 40 GFAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 40116852 UXCSWTOKWGYKRF-QGZVFWFLSA-N 383.370 2.531 0 40 GFAB O=C(CN1CCOCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 20149760 AYPILNDXHHNUDR-UHFFFAOYSA-N 385.489 2.760 0 40 GFAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10968062 XWVPUZVOAXIVNQ-AWEZNQCLSA-N 389.473 2.939 0 40 GFAB O=C(Cn1nnc(-c2cccs2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7718997 JMECSYOILSCNDW-AWEZNQCLSA-N 397.460 2.537 0 40 GFAB O=C(Cn1nnc(-c2ccc(NC(=O)c3cccs3)cc2)n1)NC1CCCC1 1339528 DDDUXJKQQQNORD-UHFFFAOYSA-N 396.476 2.713 0 40 GFAB O=C(CCCCOCCCCC(=O)OC[C@@H]1CCCO1)OC[C@@H]1CCCO1 4896171 CJMPCZXAUUWQRN-ROUUACIJSA-N 386.485 2.788 0 40 GFAB O=C(O)CCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 4907095 PHIVKXTZGANCGI-NUTLWWKQSA-N 378.428 2.995 0 40 GFAB O=C(NCCc1cccnc1)[C@H]1CC(=O)N(c2ccccc2Br)C1 32349941 XDKOFMDPFTZVPP-AWEZNQCLSA-N 388.265 2.556 0 40 GFAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)C)s1 6751870 XKHYXGXOYYZCHV-UHFFFAOYSA-N 388.536 2.898 0 40 GFAB O=C(CNC(=O)C1CCCCC1)OCC(=O)c1ccc(Br)s1 7563354 NLNSXRLFNLYIJP-UHFFFAOYSA-N 388.283 2.933 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 7799014 GQALJGQWKDPECB-UHFFFAOYSA-N 379.445 2.923 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(=O)OC)cc2)CC1=O 7842797 WGCBJXVZFUKBRQ-HNNXBMFYSA-N 383.400 2.830 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O 8039796 RGZUECHTCAKYAQ-INIZCTEOSA-N 396.443 2.929 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 8415146 XKRLNZVHDPPGPQ-UHFFFAOYSA-N 397.431 2.854 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc3c(c1)NC(=O)CO3)O[C@H](C)C2 32741052 PCUZDOOMTDBZEH-GFCCVEGCSA-N 382.416 2.670 0 40 GFAB CCN1C[C@@H](C(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1=O 32816321 OJHJEBQHLVRPKN-GHTZIAJQSA-N 396.487 2.972 0 40 GFAB COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10295880 ALMNLAAQSCWBNV-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)NC3(c4noc(C)n4)CCCC3)CC2=O)cc1 32901906 ZMIMLJVJRDXSGV-KRWDZBQOSA-N 382.464 2.621 0 40 GFAB C[C@@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCNC(=O)C1 33224987 VSAKMEJXHNVEAR-LRYXAPPNSA-N 382.504 2.880 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 42163185 CZGVHHFZAKFCIK-LLVKDONJSA-N 395.868 2.604 0 40 GFAB COc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc(Cl)c1OC 22701362 WVSXBAINNDSHPF-UHFFFAOYSA-N 397.884 2.898 0 40 GFAB CN(C)C(=O)[C@H]1CN(C(=O)Cc2csc(-c3ccco3)n2)c2ccccc2O1 22967409 HEFPGLRYXCUFJW-QGZVFWFLSA-N 397.456 2.828 0 40 GFAB CCOc1cc(CN[C@@H]2C[C@H]2C)cc(Br)c1OCC(=O)N(C)C 105437936 ZTPWPRKJFHXGFA-BXUZGUMPSA-N 385.302 2.813 0 40 GFAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc1 12346385 FIIIRWGJJSOTID-LJQANCHMSA-N 381.407 2.875 0 40 GFAB CC(=O)N1c2ccc(C(=O)Cn3nc(-c4cccs4)oc3=O)cc2C[C@H]1C 24829063 IUFNLGHVAJKSSU-LLVKDONJSA-N 383.429 2.745 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1 24992604 APWLFNHURSUCKB-UHFFFAOYSA-N 385.895 2.723 0 40 GFAB COCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765571 UAZNDYMOUQSDSK-UHFFFAOYSA-N 388.489 2.594 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)NC(C)C 26112439 MRWJOSVMFNFTAD-UHFFFAOYSA-N 388.489 2.975 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 22432169 KHHNMSQJCGGEQX-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 57833250 ZODPKJMUIAGKBT-HNNXBMFYSA-N 393.443 2.800 0 40 GFAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccccc1Cl 44892355 WMGCOOWQXCFHAX-UHFFFAOYSA-N 394.880 2.860 0 40 GFAB Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 10215198 XTBUIDPMVZTCBF-UHFFFAOYSA-N 396.443 2.980 0 40 GFAB O=C1C[C@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c2ccc(F)cc2N1 10403917 FOARONOBBWTZAA-SFHVURJKSA-N 395.434 2.673 0 40 GFAB Cn1c([C@@H]2CCCCN2C(=O)COc2ccc(C(N)=O)cc2)nc2ccccc21 58425858 BFHDNOWUCZGVNE-IBGZPJMESA-N 392.459 2.805 0 40 GFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)[nH]c2ccccc12 3294620 YYNKCDVIQHWDQX-IBGZPJMESA-N 389.411 2.524 0 40 GFAB biogenic COC(=O)c1ccc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 12854186 QKDWXYBKYFMLMJ-UHFFFAOYSA-N 391.427 2.775 0 40 GFAB CS(=O)(=O)Cc1cccc(C(=O)NCc2ccccc2CN2CCCC2)c1 12821660 VPTWUVNZYQHSHF-UHFFFAOYSA-N 386.517 2.757 0 40 GFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)COCc1ccc(Cl)cc1 12811828 QQDFXNOKKXGHEL-INIZCTEOSA-N 378.787 2.874 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3462521 XCADDEXDCYMWOH-LJQANCHMSA-N 389.814 2.563 0 40 GFAB COCCc1ccc(OS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 12969140 DWLWVFTXLRHTPF-CQSZACIVSA-N 389.473 2.941 0 40 GFAB COc1cc(Cl)c(NCC(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 12917193 QRRKAUMGDYNKLI-GFCCVEGCSA-N 392.839 2.725 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)c1 12925793 AWYKJCUWJOVVOT-GOSISDBHSA-N 386.423 2.936 0 40 GFAB COc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1OC 13611374 INXSMYZBXXRUHS-UHFFFAOYSA-N 392.459 2.781 0 40 GFAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5350996 XZLCDKKXRPUILZ-INIZCTEOSA-N 397.452 2.623 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1C 6416111 VYUVRLRUAQVLOQ-UHFFFAOYSA-N 382.507 2.663 0 40 GFAB O=C(NCc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4861040 XDLKLTPCUZBFOQ-MRXNPFEDSA-N 376.453 2.543 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 5960537 BDMXKYBDGZKQLW-NSHDSACASA-N 379.315 2.957 0 40 GFAB CCCn1nc(C(=O)NC[C@@H](c2cccs2)N(C)C)c2ccccc2c1=O 15536750 FJJXBNJRLRJORX-INIZCTEOSA-N 384.505 2.901 0 40 GFAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 15519969 NROBUVHWFSUOTJ-ISJXMTRFSA-N 384.407 2.914 0 40 GFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc(Cl)c2c(c1)OCO2 8777239 XDCHPWUPTSSMOT-IBGZPJMESA-N 386.791 2.799 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 7593800 JNGPBICZJOSJCL-UHFFFAOYSA-N 387.486 2.926 0 40 GFAB COCCCNC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCC2 71195087 MEEAZBDPRMBTGQ-UHFFFAOYSA-N 377.466 2.860 0 40 GFAB COCC(=O)N1Cc2ccccc2[C@@H](c2nccn2Cc2csc(C)n2)C1 306130321 JCIKSZSAMAEIOM-SFHVURJKSA-N 382.489 2.817 0 40 GFAB CCN(C1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1)S(C)(=O)=O 89960926 DGNBOMAHIKDLCB-QGZVFWFLSA-N 399.944 2.579 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C)cn1 23078802 WDFLDUBJRUJMPY-MRXNPFEDSA-N 393.534 2.737 0 40 GFAB CC(=O)N1CCC(N[C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 72296370 OREKBYCWNCTTCY-GFCCVEGCSA-N 382.302 2.685 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2C[C@H]2C2CCCCC2)cc1 97113305 DQLGUEYHVXZXAH-GMBSWORKSA-N 394.537 2.695 0 40 GFAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC(N2CCCCC2=O)CC1 84497908 NINSCSHIUBKFNR-SFHVURJKSA-N 386.492 2.862 0 40 GFAB COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c1 95969543 IBQRVIVCPQBORQ-UHFFFAOYSA-N 384.388 2.862 0 40 GFAB O=C(NCCc1ccc2c(c1)OCO2)[C@H](O)c1ccc(Br)cc1 95979103 NIAIQIUHPXKRGA-MRXNPFEDSA-N 378.222 2.570 0 40 GFAB CC(C)n1c(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 79501420 TZGGOQDWUKOPKT-MRXNPFEDSA-N 378.480 2.940 0 40 GFAB C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)c1ccc(F)cc1 32829060 ZRDNHJMVNDQYKS-ZDUSSCGKSA-N 391.420 2.794 0 40 GFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCN(Cc2ccccc2)C1 39976180 SHVFHNQMLXZLRF-PQCJFMQRSA-N 395.547 2.710 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC(=O)N(C)c3ccccc32)cc1C(=O)O 533391649 DENKFDHMTUWTNX-UHFFFAOYSA-N 388.445 2.509 0 40 GFAB O=C(CN1CCN(c2ncccn2)CC1)N(c1ccccc1)C1CCCCC1 38438021 HJTBRGXPHSQTAB-UHFFFAOYSA-N 379.508 2.965 0 40 GFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 217534427 HMCCVEHKZOPNBK-YPENRWOSSA-N 393.443 2.583 0 40 GFAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(Cc2ccc(Cl)s2)CC1 32676131 KXGYGXRLRXZMKC-UHFFFAOYSA-N 392.834 2.961 0 40 GFAB COC(=O)[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)c2ccccc2O1 225888869 IYMRWXOARZIFPJ-LJQANCHMSA-N 377.400 2.512 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CSCc2ccccc2C)s1 222694593 HHIBNTCFTJIZHW-UHFFFAOYSA-N 383.520 2.984 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2nccc(N3CCCCC3)n2)cc1OC 224161275 CYOQCTHZSPBSRO-VQHVLOKHSA-N 382.464 2.814 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 45866031 JDIDPUYGWZBBLN-UHFFFAOYSA-N 390.280 2.653 0 40 GFAB COCCc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1 574098996 FMVKNAMRDOMOIX-IBGZPJMESA-N 391.489 2.930 0 40 GFAB Cc1nc(NC(=O)c2ccc(OCC(=O)C3CC3)cc2)sc1C(=O)N(C)C 49027506 FMCBMWSKVKBHCE-UHFFFAOYSA-N 387.461 2.764 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220865663 SBKWNJKDWNDTOU-OAHLLOKOSA-N 393.447 2.559 0 40 GFAB O=S(=O)(c1ccccc1)N1CC[C@@]2(CCCN(CC3CCOCC3)C2)C1 96215408 ZMERTIOPMNLXGM-HXUWFJFHSA-N 378.538 2.590 0 40 GFAB CS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc(Cl)c1 96518226 PXBIKMWDZATMQS-SECBINFHSA-N 393.029 2.895 0 40 GFAB COc1cccc(NC(=O)N2CCN3C(=O)N(Cc4ccccc4)C[C@H]3C2)c1 96269066 FAOAOTJOFMIJDJ-GOSISDBHSA-N 380.448 2.849 0 40 GFAB biogenic,in-vitro CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)C(=O)O)cc1 242687264 UCSAYDBOFVSVBW-ZIFCJYIRSA-N 393.892 2.872 0 40 GFAB COC(=O)c1ccc(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cc1 390830176 JGRAAHOMMOSROZ-INIZCTEOSA-N 393.486 2.537 0 40 GFAB COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)cc1C 575605599 LOESHVDRJLWMKF-CYBMUJFWSA-N 382.869 2.894 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc(C)c(C)o4)CC3)[C@H]2C1 585106291 ONZIJHTWSALWFT-NXHRZFHOSA-N 387.524 2.738 0 40 GFAB CN(C)C(=O)[C@@H]1CSCN1C(=O)CCOc1ccc(Cl)cc1Cl 589481519 BQYOPOJEMXAUNG-LBPRGKRZSA-N 377.293 2.752 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)N[C@@H]2CCO[C@H]2c2ccncc2)n1 585123289 ZORPAIONGJOGSZ-QUCCMNQESA-N 377.448 2.905 0 40 GFAB CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc2c(c1)OCCO2 55963712 YGDLIHZARMPYQH-WBVHZDCISA-N 384.432 2.667 0 40 GFAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)Cc1c(F)cccc1Cl 72325026 ZBVVUPFUVGUAGG-LBPRGKRZSA-N 377.847 2.662 0 40 GFAB CC(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O 5976220 HNPAOSJEJADHOG-UHFFFAOYSA-N 396.060 2.743 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1nnnn1Cc1ccccc1 11386129 HPTODGLSQDZQSH-UHFFFAOYSA-N 388.431 2.881 0 40 GFAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1nc(C)sc1-c1ccccc1)C2 12143195 SAVCUDWCTQXLRF-UHFFFAOYSA-N 380.473 2.638 0 40 GFAB CCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 12374046 WQQHKTKLESTPQZ-HNNXBMFYSA-N 395.507 2.903 0 40 GFAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 13557666 WZYOORBBJIMWMJ-NMLBUPMWSA-N 392.430 2.969 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2nccc3ccccc23)c1 14390244 PZVFFQVPMSCEGR-UHFFFAOYSA-N 383.473 2.852 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2O)c(Cl)cc1Cl 15109627 OOHCYWRUELSOKO-UHFFFAOYSA-N 389.260 2.884 0 40 GFAB CCOC(=O)N1CCN(c2c(CN3CCCC3)c(=O)oc3ccccc23)CC1 16682953 HZCQSWNBWYAWHZ-UHFFFAOYSA-N 385.464 2.667 0 40 GFAB O=C(NCc1ccncc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 17168467 NFSYYOJBJTTYJN-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB CN(c1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 19586785 WVSVYAYRJFRWSM-QGZVFWFLSA-N 380.473 2.829 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)n[nH]1 19718743 ILYUMPXNYMOEAO-UHFFFAOYSA-N 397.454 2.736 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 19889921 RYAWCTNXSMXGIG-PABBZOGXSA-N 389.499 2.958 0 40 GFAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 19933310 QUHQBVSBGSYCDH-IBGZPJMESA-N 390.505 2.946 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3OC)ccc21 19936880 OTQKXDBVWPRLLF-LBPRGKRZSA-N 376.434 2.663 0 40 GFAB CCOc1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1C 225573740 NWTGPLXUHKHCFM-QGZVFWFLSA-N 398.594 2.890 0 40 GFAB O=C(Cc1ccccc1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576071 HKKKQLUAUQGAFL-LEWJYISDSA-N 383.488 2.585 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC1CCCC1)CC1(CCN(C)CC1)O2 19218419 RLXNOCMDVMBPEF-KRWDZBQOSA-N 399.535 2.741 0 40 GFAB Cc1nc(C)n(CC(=O)NC2CCN(CC3(c4ccccc4)CCCC3)CC2)n1 19285785 STMGHERULRQHMA-UHFFFAOYSA-N 395.551 2.988 0 40 GFAB COc1cc2c(cc1CN1CCc3c(O)nc(-c4cccnc4)nc3C1)OCO2 19550594 WZSXHIKLQNNULQ-UHFFFAOYSA-N 392.415 2.540 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccccn2)CC1 6609704 IPJVSQYAFWGHBE-AWEZNQCLSA-N 389.297 2.993 0 40 GFAB O=C(C1CCOCC1)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888866759 HZCHFSXVTMKOPZ-HNNXBMFYSA-N 385.439 2.937 0 40 GFAB COc1ccc(CCC(=O)N2CCC3(CC2)OCCO3)cc1Br 24999041 FUKFRASJFYLEPL-UHFFFAOYSA-N 384.270 2.756 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SC)s2)cc1 4086663 AEHLVYXHQAUBGN-UHFFFAOYSA-N 386.524 2.543 0 40 GFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccccc3F)cc21 5136793 BPINRUKMWMLNPZ-UHFFFAOYSA-N 378.425 2.555 0 40 GFAB COC(=O)NC(=O)c1c(NC(=O)c2ccc(C(=O)OC)cc2)sc(C)c1C 5145050 PBYIIVAMOFEZOJ-UHFFFAOYSA-N 390.417 2.900 0 40 GFAB CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 5241424 BGRQONYUFUNDRN-UHFFFAOYSA-N 375.381 2.922 0 40 GFAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(OC)c(OC)c2)nn1 11738958 JRVJYLROXWYQEA-UHFFFAOYSA-N 376.438 2.573 0 40 GFAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 12422599 RRUZDYJQBXPKQX-UHFFFAOYSA-N 392.872 2.608 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775974254 ZHHFESDEZNSHQW-UHFFFAOYSA-N 399.319 2.797 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)o1 206966513 KXFBTBLEKYFFTG-OAHLLOKOSA-N 383.379 2.771 0 40 GFAB Cc1ccc(CS(=O)(=O)c2nnc([C@@H](C)NC(=O)OC(C)(C)C)o2)cc1 15989302 XKDLEUUIFZLTKH-GFCCVEGCSA-N 381.454 2.938 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc(F)cc1 40001122 CYNRRVLHKJHGBY-MSOLQXFVSA-N 379.391 2.547 0 40 GFAB COc1cc(C)ccc1OCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 40051075 VZGOHUUBJDYKPY-UHFFFAOYSA-N 386.433 2.572 0 40 GFAB COC(=O)C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cccs1 40040571 VIOXUJWWNAPLSD-AWEZNQCLSA-N 375.450 2.680 0 40 GFAB O=C1Nc2ccccc2C2=N[C@H](CN3CCN(c4ccc(F)cc4)CC3)CN12 20219122 GKLMISPVSOJYCB-MRXNPFEDSA-N 379.439 2.624 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 872652 FKBDPAJWZZTDQY-UHFFFAOYSA-N 397.456 2.934 0 40 GFAB Cc1ccc(S(=O)(=O)/N=c2\sc(=N\C(C)(C)C)/c2=N/C(C)(C)C)cc1 3844474 ZGRBPDBSMNWUNQ-BNTNIPFWSA-N 379.551 2.620 0 40 GFAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 4237244 WDYFEQYFHCLPSB-JKSUJKDBSA-N 387.443 2.957 0 40 GFAB biogenic,in-vitro CC(=O)Nc1cccc([C@@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 59934026 FOCMVENHGZUVAM-CYBMUJFWSA-N 380.400 2.936 0 40 GFAB CC(=O)Nc1ccc(OCc2noc(C(=O)N3CCc4ccccc4C3)n2)cc1 32104283 ZSBOQZLSJPSLFZ-UHFFFAOYSA-N 392.415 2.806 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccccc12 15717919 HIPTYKMVAMOBMR-UHFFFAOYSA-N 383.473 2.550 0 40 GFAB O=C1Nc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c3cccc1c23 11851818 CCLJQMNBPYTJLL-UHFFFAOYSA-N 382.397 2.978 0 40 GFAB CC1CCN(C[C@H]2CCCN(C(=O)CNC(=O)c3cccc(F)c3)C2)CC1 101951050 DUNYRZMWWKLDDJ-QGZVFWFLSA-N 375.488 2.526 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCc1cc(=O)n2cc(C)ccc2n1 2625296 WBBATMQYXAEXOZ-UHFFFAOYSA-N 394.460 2.588 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)c1 8416202 QHXNQQURGXQNCF-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@@H]1CCCO1 32778223 MULUXFAMTLMVLQ-BEFAXECRSA-N 377.444 2.742 0 40 GFAB CCOc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(Cl)cc2)cc1 8476394 NGULWHIXGNFTAZ-UHFFFAOYSA-N 386.839 2.709 0 40 GFAB COCCNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9694997 HRQAZYDRPVNHPG-UHFFFAOYSA-N 382.869 2.658 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCc3ccccc3C2)cc1C 33019014 PGWZQHABUCSQNU-UHFFFAOYSA-N 386.517 2.947 0 40 GFAB C[C@H](OC(=O)CN1CSCC1=O)C(=O)Nc1ccccc1-c1ccccc1 22504577 CKDDAUXPBNHVTP-AWEZNQCLSA-N 384.457 2.757 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N(C(C)C)C(C)C)CC2)c1C 22783306 SMUUAEATAPVFTB-UHFFFAOYSA-N 388.556 2.505 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2=O)cc1 22726243 ROXTXQAKOJVVTB-UHFFFAOYSA-N 399.834 2.690 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(NC(=O)c3ccco3)c1)CS2 23200755 YTFBOMSGZLWZNY-LIRRHRJNSA-N 385.445 2.924 0 40 GFAB Cc1n[nH]c(C)c1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 78239460 AYYYOIDMOGEABQ-UHFFFAOYSA-N 389.506 2.934 0 40 GFAB CC(C)(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4CC4CC4)nn3c2O)C1 100234415 SSLACIFDMPSGQL-SFHVURJKSA-N 397.523 2.913 0 40 GFAB COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)N3CCOCC3)cc2)cc1 12595634 BCMPZLLFSCQJKB-OAHLLOKOSA-N 383.448 2.607 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1F 51316868 HHBFXIBOZPQNKI-UHFFFAOYSA-N 383.408 2.706 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)cc1 21382148 PUUQLHKRQOXSPQ-OAQYLSRUSA-N 398.528 2.935 0 40 GFAB CCOc1ccc(C(=O)CCNc2ccc(C(=O)NCCC(=O)O)cc2)cc1 26959086 YMCGLJMZIKUFBT-UHFFFAOYSA-N 384.432 2.975 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(Cl)o3)CC2)c1 29170025 APMLQTGTHPWSPP-UHFFFAOYSA-N 378.812 2.548 0 40 GFAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCCN(c2ncccn2)CC1 20729559 WUXNWQLEJNHFBB-KRWDZBQOSA-N 385.855 2.949 0 40 GFAB Cc1nc(C)c(CCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c(=O)[nH]1 25999913 VBAPCLIRPDVILM-UHFFFAOYSA-N 394.427 2.658 0 40 GFAB O=C(OCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3229150 CEDWIRINFIZCKI-UHFFFAOYSA-N 395.864 2.718 0 40 GFAB C[C@@H](OC(=O)c1nccnc1N)C(=O)N(Cc1ccccc1)Cc1ccccc1 10140706 GUWSHICUQOHBAL-MRXNPFEDSA-N 390.443 2.833 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)ccc1Cl 12608520 IJOORCSVLBQVHN-UHFFFAOYSA-N 395.746 2.757 0 40 GFAB O=c1nc(SCc2ccccc2F)c2c(n1[C@H]1CCS(=O)(=O)C1)CCC2 27795601 HDDMGASKUUHKML-ZDUSSCGKSA-N 394.493 2.523 0 40 GFAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccccc1OC(F)F 3320656 ZJHXIQLRYBCYIK-OAHLLOKOSA-N 379.315 2.610 0 40 GFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 58421793 ZBVLSMRUWFFSFB-LRDDRELGSA-N 378.432 2.724 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(C)c1 10518225 BPCTZTVFJINNLR-UHFFFAOYSA-N 394.518 2.853 0 40 GFAB COc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc(OC)c1OC 36394523 YYHOHTAJTFMZNW-UHFFFAOYSA-N 399.369 2.968 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(NC(C)=O)cc1 3377104 DBHXYZYXCBVNHF-UHFFFAOYSA-N 386.404 2.806 0 40 GFAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@H]1Cc2ccccc2O1 12777286 IYFMNDXYXFAGII-GOSISDBHSA-N 392.411 2.847 0 40 GFAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc2c(c1)OCCO2 20528490 YKSPBEKVHBWNTC-UHFFFAOYSA-N 379.401 2.876 0 40 GFAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 48354841 DTSAGQJJDRURNB-BEFAXECRSA-N 398.956 2.740 0 40 GFAB CC(=O)N[C@@H](CC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 3426944 GHQADNJNJKXGSJ-RTWAWAEBSA-N 394.471 2.991 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)CCc3ccccc3)C2=O)cc1 3461535 UGWQCVJMVJPRFC-UZUQRXQVSA-N 393.487 2.900 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3Cl)CC2)s1 8025609 NSBXRPIVHHFHNP-UHFFFAOYSA-N 377.897 2.789 0 40 GFAB Cc1c(-n2nnnc2SCc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 14017368 NBJACZDFODKQLX-UHFFFAOYSA-N 396.451 2.892 0 40 GFAB CCCn1c(C)nnc1SCC(=O)Nc1nc(C)c(C(=O)OCC)s1 6400274 RSBCSZDOSZLMAW-UHFFFAOYSA-N 383.499 2.669 0 40 GFAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3OCC(F)(F)F)cc2o1 14205771 RLFLACCAIIRLNI-UHFFFAOYSA-N 388.323 2.863 0 40 GFAB CSc1ncccc1C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6882285 IWCZFDURORXSCJ-HNNXBMFYSA-N 376.503 2.633 0 40 GFAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C2 8735363 VAIGXWQLFMCDIK-QGZVFWFLSA-N 376.503 2.901 0 40 GFAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)s1 5974670 YMCGGDXORCPHSS-AWEZNQCLSA-N 395.502 2.874 0 40 GFAB Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)no1 67499174 LDZSTFRIQGKTCI-LBPRGKRZSA-N 392.253 2.723 0 40 GFAB CC1CCN(c2nnc(SCC(=O)NC(C)C)n2Cc2ccco2)CC1 8749239 BABPJNBJLYCRDO-UHFFFAOYSA-N 377.514 2.772 0 40 GFAB O=C(CCCn1cnc2ccccc2c1=O)NCCCOc1ccccc1F 9390288 QSGWROKOMHXQHK-UHFFFAOYSA-N 383.423 2.901 0 40 GFAB Cc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306125630 CWNAACIZZJVIKT-LEWJYISDSA-N 386.455 2.913 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccccc1)SCC(O)=N2 79487567 XJZUVCPMCQEWIU-CJNGLKHVSA-N 377.491 2.975 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1cc(Cl)ccc1O 72326116 JZPDHGOLQPQPGJ-INIZCTEOSA-N 399.834 2.636 0 40 GFAB biogenic O=C(NCCc1nnc2n1CCCCC2)Nc1csc(-c2ccccn2)n1 95466977 CZSBVOJYVOBVRU-UHFFFAOYSA-N 383.481 2.887 0 40 GFAB COc1ccc(CCNCc2cc3cccc(C)c3n3nnnc23)cc1OC 35311720 DACDJTWFIXKBNC-UHFFFAOYSA-N 377.448 2.935 0 40 GFAB CCc1nnc(SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)n1C1CC1 1505840537 MILCRKVGDMLNTB-UHFFFAOYSA-N 388.449 2.838 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)N1CCCN2c3ccccc3C[C@@H]2C1 516359382 MOGWVOSMBQEEGB-LJQANCHMSA-N 388.475 2.614 0 40 GFAB CC(=O)Oc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCc1ccccc1 3844197 XAWWOCTXPCFFOU-IBGZPJMESA-N 380.400 2.983 0 40 GFAB biogenic NC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c2ccccc21 33725975 PEFWAFHINNMYGR-MHWRWJLKSA-N 388.383 2.633 0 40 GFAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NC1CCCC1 72405195 AQMBWKAMLVUCEO-AWEZNQCLSA-N 378.904 2.619 0 40 GFAB CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 72242136 YYCOIFNJFYRHME-RBBKRZOGSA-N 395.478 2.690 0 40 GFAB COc1ccc(-c2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C)cc1OC 61236213 MBNAQJICMGOQAL-GFCCVEGCSA-N 396.490 2.509 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3nc(C)cc3C)CC2)c1 77196862 ASYOKKQSHCACMJ-UHFFFAOYSA-N 390.553 2.513 0 40 GFAB COc1cccc(-c2noc(CNS(=O)(=O)Cc3ccccc3F)n2)c1 223650644 SJESZVPQVVQBIR-UHFFFAOYSA-N 377.397 2.504 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222427529 NDMWDBARQRZBIK-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB CSc1ccccc1C(=O)N1CCN(CCNC(=O)c2ccsc2)CC1 42383023 LXZXBMRRUJAJMK-UHFFFAOYSA-N 389.546 2.658 0 40 GFAB CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC(C)CC2)n1 225882643 YYIZGVLIMGSKAI-UHFFFAOYSA-N 389.554 2.960 0 40 GFAB O=C(NCCCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225569457 PJHZMPQOFUHLRS-UHFFFAOYSA-N 390.480 2.973 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1 96215769 MNWAMSCKOVLRPH-IBGZPJMESA-N 391.562 2.961 0 40 GFAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3ccccc3OC)ccc2NC1=O 96182264 FEHXKRIVWGMYJV-FQEVSTJZSA-N 384.388 2.600 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)[C@H]4C[C@H]4C)nn3c2O)C1 248150474 GUGSAROJMAAULR-XUWXXGDYSA-N 383.496 2.521 0 40 GFAB NC(=O)COc1cc(C(F)(F)F)nc2ccc(I)cc12 538951956 QUCUQPQSISBXOQ-UHFFFAOYSA-N 396.106 2.722 0 40 GFAB CCOc1ccc(S(=O)(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1C 260749232 UIIMXZBGCPRPTJ-GOSISDBHSA-N 391.445 2.523 0 40 GFAB CC1(C)CCc2cccc(NC(=O)Cn3c(=O)nc(O)c4ccccc43)c2O1 530276591 MLMFWBSDYAMOMD-UHFFFAOYSA-N 379.416 2.844 0 40 GFAB Cc1cc(-n2nc(C)cc2NC(=O)C[C@H](n2cccn2)C(F)(F)F)nc(C)n1 622822355 IIKGZZGVOJFEQB-ZDUSSCGKSA-N 393.373 2.916 0 40 GFAB CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](Cc2ccccc2)c2ncco2)C1 654444926 FZDNBLDDUGNLSQ-SQNIBIBYSA-N 384.480 2.905 0 40 GFAB O=S(=O)(c1cccc2c1OCCC2)N1CCOC[C@@H]1c1cccc(F)c1 657169865 IYRWVRYVKWDOHS-QGZVFWFLSA-N 377.437 2.913 0 40 GFAB O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1nc2cnccc2s1 669007712 MHAQQJAURSQHRX-UHFFFAOYSA-N 380.473 2.974 0 40 GFAB Cc1cccc(CCC(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)c1 390829553 FEWBVOLDJQFNDA-UHFFFAOYSA-N 382.489 2.958 0 40 GFAB CS(=O)(=O)CCc1noc(C2CCN(c3nc4ccccc4s3)CC2)n1 632233364 JHKMACOIVYUJKH-UHFFFAOYSA-N 392.506 2.650 0 40 GFAB CO[C@@H]1CCN(c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(n3ccnn3)C4)cc2)C1 669952610 LSBJQIQCMMGUDJ-CMKODMSKSA-N 381.480 2.512 0 40 GFAB O=C1OC2(CCN(Cc3ccncc3)CC2)[C@H]2CN(Cc3ccccc3)CCN12 1549162783 VUQCMNOECQFGLK-OAQYLSRUSA-N 392.503 2.753 0 40 GFAB Cc1nn(CC(=O)N(Cc2ccncc2)C2CC2)c(=O)c2cc3sccc3n12 12115261 WSXLZCDVIPDPGL-UHFFFAOYSA-N 393.472 2.605 0 40 GFAB Cc1c(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)sc2ncn(C)c(=O)c12 12203313 ZFJHFUNXTZRKMQ-GFCCVEGCSA-N 376.526 2.544 0 40 GFAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2C(=O)OC)o1 13684621 UFPLSCRKBLXWAO-INIZCTEOSA-N 386.429 2.699 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715974 NRVSVHGAPPIDEU-INIZCTEOSA-N 394.424 2.707 0 40 GFAB COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CN2CCCCC2)cc1=O 16890770 MNUBIMIDECQULZ-UHFFFAOYSA-N 397.475 2.684 0 40 GFAB NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)C1 19374301 MFGBTBNRZFZQNB-QHCPKHFHSA-N 386.455 2.704 0 40 GFAB COc1cccc(C(=O)N2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)c1 19564287 QZFUHEXFBDPMKQ-UHFFFAOYSA-N 390.443 2.860 0 40 GFAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)C(C)(C)OC)cc1 19713157 OPLHWLSCBXDCPB-MOPGFXCFSA-N 388.508 2.992 0 40 GFAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc[nH]n3)CC2)c1 19746631 MQOUUEKOGKWXNV-FQEVSTJZSA-N 396.491 2.965 0 40 GFAB COc1ccc(-c2nccc3ccn(CC(=O)N[C@H]4CCC[C@@H]4O)c23)cc1OC 12135472 SOAAQPTUMVNBOS-IRXDYDNUSA-N 395.459 2.750 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(I)cc1 100057545 BMJVLFNSTCZFLG-ZAQNNHEOSA-N 391.208 2.849 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@]3(CCCN(c4nccc(C)n4)C3)C2)cn1 2056224557 VHEZRBBAHRTINW-OAQYLSRUSA-N 381.480 2.711 0 40 GFAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1c(F)cccc1Cl 10704919 OWZAPDUWARRTSS-UHFFFAOYSA-N 396.871 2.597 0 40 GFAB CC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1 16890578 XBVOACBFMYJXEG-UHFFFAOYSA-N 378.885 2.646 0 40 GFAB COCCCn1c(C(=O)N[C@H]2CCCC[C@H]2C)cc2c(=O)n3ccccc3nc21 33550943 UIICERZORLVKOM-WBVHZDCISA-N 396.491 2.994 0 40 GFAB C[C@@H](C(=O)NCc1cc(C2CC2)ncn1)n1nc(-c2cccs2)ccc1=O 585360368 HEIJVOCZEFSKLO-LBPRGKRZSA-N 381.461 2.517 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCn2nc(C3CC3)cc2C1 390831202 QKUPNBLPHUYXBC-UHFFFAOYSA-N 387.383 2.864 0 40 GFAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116631 AVGHEPBAMXHEIX-KRWDZBQOSA-N 385.386 2.635 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 40153390 LNYRRIAFSLFFOW-OAHLLOKOSA-N 395.850 2.590 0 40 GFAB O=C(COc1ccc(F)cc1Cl)N1CCN(C(=O)c2cccs2)CC1 8006876 FDEZFJMDTJRKDP-UHFFFAOYSA-N 382.844 2.904 0 40 GFAB CCNC(=O)CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 8094545 XTPVMFFPLWORIT-UHFFFAOYSA-N 380.423 2.853 0 40 GFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1c(C)nn(C)c1C 11225015 XPTOXPCLXWXXRO-UHFFFAOYSA-N 387.871 2.518 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 851342 ZVXPNOUIMYYPRJ-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)cc1 1363377 CUHRXJSTRJANBJ-KRWDZBQOSA-N 394.537 2.792 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1C 3506240 QEQNQUBYJCAFAB-UHFFFAOYSA-N 382.445 3.000 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccc(F)cc2)CC1 3561109 DCMLFJRPAFJCFH-UHFFFAOYSA-N 395.434 2.551 0 40 GFAB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)cc1OCc1ccccc1 6289798 KRTOQMHEGGOTSF-QFBILLFUSA-N 379.416 2.686 0 40 GFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 6402134 QLXVLTKEDWYGQH-SFHVURJKSA-N 388.489 2.729 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C 6471835 GJVQIKDXKKMAGC-UHFFFAOYSA-N 383.853 2.679 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)C2(c3ccccc3)CC2)cc1 7397309 DXHAJDWLMIHCFT-UHFFFAOYSA-N 380.444 2.667 0 40 GFAB CC[C@H](C)n1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c1=O 20622535 BHINFACLPNBGMR-XXFAHNHDSA-N 388.855 2.583 0 40 GFAB biogenic CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 11866801 YSRBTLZFGKPIHV-PGQWDYDZSA-N 375.421 2.793 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(F)c(F)c1 8041648 LFEOKFRBJRMVSO-UHFFFAOYSA-N 376.331 2.648 0 40 GFAB COC(=O)c1ccc(/C=C/C(=O)N2CCN(Cc3csc(C)n3)CC2)cc1 32332836 OUOCADUNQJIMIS-VMPITWQZSA-N 385.489 2.596 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCc2ccccc21 10449419 GAVCAPXEZUMXSZ-UHFFFAOYSA-N 386.473 2.683 0 40 GFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 100180736 QLHHWEITWDYDSE-ZQYRFBGISA-N 391.471 2.695 0 40 GFAB Cc1nc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)sc1C 11997168 WJPGMPJMMXITMY-GFCCVEGCSA-N 382.511 2.692 0 40 GFAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)C1=Cc2ccccc2CC1 32885538 SLBXZKSZBCKENQ-UHFFFAOYSA-N 380.473 2.733 0 40 GFAB Cc1nc(C(=O)NCc2ccccc2Cn2ccnc2)nn1-c1ccc(F)cc1 32860072 ZOOIZMVFDPHAJA-UHFFFAOYSA-N 390.422 2.890 0 40 GFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1C(=O)[C@H](C)n1nc(C(F)F)cc1C 100219942 KRVHHXGRZVJXNY-CYZMBNFOSA-N 391.422 2.653 0 40 GFAB CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C(F)(F)F)c1 102619429 GMXFTGRELQZGKJ-YXAMBPQSSA-N 378.350 2.823 0 40 GFAB CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)O 102182177 MVJMLJLSYBIQBG-FCEWJHQRSA-N 399.491 2.818 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)NCC1(N2CCOCC2)CCCCC1 27579623 HJOVVXIYXAFBQN-KRWDZBQOSA-N 376.497 2.614 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1 796729 VCOWHDUHAMDPNB-HNNXBMFYSA-N 380.510 2.545 0 40 GFAB COc1cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc(OC)c1O 819296 YXBZELARZWXZSH-OAHLLOKOSA-N 376.497 2.880 0 40 GFAB COc1ccc2c3c1O[C@@]1(C)[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 100393581 FNIFBBNFYMIPEZ-JWSVBIHBSA-N 395.499 2.895 0 40 GFAB biogenic,in-vitro COCCOc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 100728570 FYMHMAHDLQNNEE-OALUTQOASA-N 385.508 2.565 0 40 GFAB C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)N1CCc2ccccc21 23731538 HMNMNFJXRVJXHB-GOSISDBHSA-N 379.504 2.586 0 40 GFAB COc1ccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 1397084 WSIFCPGMCNFVAB-UHFFFAOYSA-N 378.384 2.886 0 40 GFAB C[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1nncn1C 106512212 DERZQKYOWJMTGX-AWEZNQCLSA-N 390.919 2.741 0 40 GFAB Cc1c(C(=O)NCc2ccnc(N3CCOCC3)c2)[nH]c2c1C(=O)CC(C)(C)C2 25290438 UOVROKMNAICMRW-UHFFFAOYSA-N 396.491 2.640 0 40 GFAB CCNC(=O)NC1(C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)CCCC1 57253205 YHOFISFRQWWWFA-HNNXBMFYSA-N 375.517 2.764 0 40 GFAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)cc1C 57491044 HSYTUKULDWDPPG-UHFFFAOYSA-N 399.516 2.993 0 40 GFAB COc1ccc([C@H]2Nc3ccccc3-c3c(O)nc(SC)n[n+]32)c(OC)c1 27233027 YTTFWQITQHHNPH-KRWDZBQOSA-O 383.453 2.848 0 40 GFAB O=C(CCc1ccccc1O)N1CCN(c2ccc(Br)cn2)CC1 48272278 CZWYZAUMNILWHB-UHFFFAOYSA-N 390.281 2.831 0 40 GFAB Cc1cc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1F 12819458 VBNYDCGZAZZYME-UHFFFAOYSA-N 376.453 2.776 0 40 GFAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccco1 3447971 MMMBGOWSMWGJBW-VMPITWQZSA-N 396.321 2.881 0 40 GFAB CCCCn1c(S[C@@H](C)C(=O)NC(=O)NCC)nc2ccccc2c1=O 3521688 XORBOJLBQYJZPM-LBPRGKRZSA-N 376.482 2.523 0 40 GFAB COCCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1 13556077 PMXXJROTTXVLCM-UHFFFAOYSA-N 386.473 2.674 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(-c2nnco2)cc1 5216699 WHAFMTMPERULHT-ZDUSSCGKSA-N 378.388 2.879 0 40 GFAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCC1CCCCC1 5255771 UHDLIKBGUYKYFW-UHFFFAOYSA-N 378.274 2.799 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 5342274 WGOYHQNIKLMSKE-XLIONFOSSA-N 393.487 2.677 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(F)c(F)c1F 14199554 SJNFZQINSJVOGZ-UHFFFAOYSA-N 377.116 2.828 0 40 GFAB Cn1c(SCc2cc(-c3ccccc3)on2)nnc1[C@@H]1CCS(=O)(=O)C1 14201275 AFWXIEIZYBOLFD-CYBMUJFWSA-N 390.490 2.665 0 40 GFAB C[C@@H](CC(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O)n1ccnc1 6565025 DRBHLTBCFSGKQW-LQELWAHVSA-N 390.490 2.748 0 40 GFAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCCCO 6658897 BEMWOPSUWIBNKP-LLVKDONJSA-N 379.840 2.591 0 40 GFAB Cc1c(OCC(=O)NCCCn2ccnc2)ccc2c3c(c(=O)oc12)CCCC3 6658852 VJTYKCUAOQTTSX-UHFFFAOYSA-N 395.459 2.762 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CCCn1c(=O)oc2ccccc21 14793235 UTFDITCGMVOAMH-UHFFFAOYSA-N 383.404 2.980 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 6822543 DWMBROSLKFIODS-KRWDZBQOSA-N 389.477 2.581 0 40 GFAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1C 6810402 MCZCKWQHPWVGRH-DLBZAZTESA-N 391.489 2.880 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(OC)c1 15583782 DNVLTUCUIPHLTC-UHFFFAOYSA-N 383.379 2.950 0 40 GFAB CCN(CC)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 7686382 SQQXSLLTCNISAD-LJQANCHMSA-N 378.476 2.746 0 40 GFAB CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 95460963 UKSYYAJCAGEKMV-LBPRGKRZSA-N 389.905 2.660 0 40 GFAB CCOCCCn1/c(=N/C(=O)CN2Cc3ccccc3C2)[nH]c2ccccc21 84801332 JBLUMQHDLVQYDO-UHFFFAOYSA-N 378.476 2.839 0 40 GFAB Cc1c(C(=O)N[C@H](CC(C)C)C(=O)Nc2cc[nH]n2)cnn1-c1ccccc1F 78975890 OWFINTSJCMVRHW-MRXNPFEDSA-N 398.442 2.826 0 40 GFAB CN1CCN(C(=O)c2ccco2)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306134263 NHGVUAVUKLITCH-KRWDZBQOSA-N 379.464 2.656 0 40 GFAB Cc1ccc(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 408734571 YGSDSIXJVXMHCR-ZWKOTPCHSA-N 399.450 2.780 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1Cc2cc(Cl)ccc2O1 29845410 LMCFPFDUTVJBBR-RDJZCZTQSA-N 392.908 2.895 0 40 GFAB NC(=S)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218186776 MXTLARLGSJBSQP-PMPSAXMXSA-N 395.889 2.911 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1Cl 38757267 SZVJJGGAPZRCJG-GFCCVEGCSA-N 388.917 2.904 0 40 GFAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(CC2=Cc4ccccc4OC2)CC3)CC1 72389570 XEDYQBMGKOEJCQ-UHFFFAOYSA-N 392.503 2.840 0 40 GFAB CCCC[C@@H](CC)CNC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223877185 UMUAICFXJLMXIP-MRXNPFEDSA-N 382.526 2.988 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)NCCc2ccccc2)CC1 40138932 WNZQQYZPTZJYBY-UHFFFAOYSA-N 380.536 2.866 0 40 GFAB CCCCN(C)c1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(N)n1 49007291 GYBSGSJSFXBJNT-UHFFFAOYSA-N 384.889 2.790 0 40 GFAB Cc1nnnn1-c1ccc(C(=O)Nc2nc(C3CCOCC3)cs2)c(F)c1 575003811 SVGBCBJEBVAECE-UHFFFAOYSA-N 388.428 2.713 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCc2ccccc21 224640280 UCYWKYDFNPWJSL-IBGZPJMESA-N 388.489 2.829 0 40 GFAB Cc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1C 44791259 HAKVEVSMZZUUQJ-UHFFFAOYSA-N 392.546 2.978 0 40 GFAB CCN1CCN(C(=O)c2ccc(Nc3nc(C)nc4c(C)n(C)nc34)cc2)CC1 41070257 OJNIPXZOROOPOI-UHFFFAOYSA-N 393.495 2.501 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)N2CCCc3ccccc32)c1=O 40478563 HSEDRPLOZXPKGC-UHFFFAOYSA-N 391.471 2.799 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1cccc(F)c1)C2 96237917 MEHASFCPPORONN-OAQYLSRUSA-N 385.414 2.528 0 40 GFAB O=C(O)[C@H](c1cnn(Cc2ccccc2)c1)N1CCC(Cn2cccn2)CC1 95361020 HDMDXYLLFOOIFA-FQEVSTJZSA-N 379.464 2.666 0 40 GFAB C[C@H](C(=O)NCCCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O 95474431 UWDDRBPQISBZCX-MRXNPFEDSA-N 391.475 2.603 0 40 GFAB Cc1ccc(N2C(=O)CN(C3CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 95000187 ZROOZHSZUXTJQT-ZWKOTPCHSA-N 396.940 2.795 0 40 GFAB COc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)cc1CO 247921696 YARQDIKWXKFYKW-PXNSSMCTSA-N 380.492 2.840 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)C(=O)Nc1ccccc1Cl 253400027 KJNSHNIADHCCLQ-HNNXBMFYSA-N 393.896 2.778 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(C)c4)CC3)[C@H]2C1 585106337 XFNFIOBTHWIQRB-SXLOBPIMSA-N 383.536 2.836 0 40 GFAB O=C(COc1ccccc1F)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160426 RFSAREBZKGWGEO-JOCHJYFZSA-N 398.434 2.629 0 40 GFAB Cc1ccccc1COc1cccc(CC(=O)N2CCC3(CC2)NC(=O)CO3)c1 1615590834 MKYLCQVMMLKZAR-UHFFFAOYSA-N 394.471 2.582 0 40 GFAB COC(=O)COc1c(Cl)cc(/C=C2/N=C(c3ccco3)OC2=O)cc1OC 5000767 GMARSTIJGBEBEQ-KPKJPENVSA-N 391.763 2.838 0 40 GFAB O=C(COc1cccc(Br)c1)OCc1cc(=O)n2ccsc2n1 5453091 PEUUMLWHDAJTME-UHFFFAOYSA-N 395.234 2.641 0 40 GFAB O=C(c1cscn1)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 12134752 SPWAUQVHFKIJRM-GFCCVEGCSA-N 383.477 2.790 0 40 GFAB COCCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 13570986 OXFRILFJWHQUOR-UHFFFAOYSA-N 394.456 2.572 0 40 GFAB CCCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)CC1 19501160 KGDUYVGNXNEEJB-UHFFFAOYSA-N 385.512 2.708 0 40 GFAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2S(C)(=O)=O)n1 19689627 FNLQEZSJAPVXGF-HNNXBMFYSA-N 380.901 2.960 0 40 GFAB C[C@]1(C(=O)N2CCCN(Cc3ccccn3)CC2)CC(c2ccccc2F)=NO1 19714013 ORGSPOXEQOXNLS-JOCHJYFZSA-N 396.466 2.838 0 40 GFAB COCCN1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 19766356 ZLHHXOZHHCXDQS-QGZVFWFLSA-N 386.471 2.680 0 40 GFAB Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 17052492 LHJIFAAVBVZUKI-UHFFFAOYSA-N 379.508 2.964 0 40 GFAB CCCn1c(SCCc2ccncc2)nc2cc(S(N)(=O)=O)ccc21 26264742 GKNULEHYPCYSEO-UHFFFAOYSA-N 376.507 2.824 0 40 GFAB CSc1nc2c(c(N3CCN(c4cnc5ccccc5n4)CC3)n1)CCC2 1888916659 HJBWSKSXZZTLIC-UHFFFAOYSA-N 378.505 2.957 0 40 GFAB Oc1ncc(Br)c(I)c1Br 1857778035 QFQMPDDNOGMVNG-UHFFFAOYSA-N 378.789 2.917 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)CCC(F)(F)F)CC3)n2)n1 1775995664 DDVMVRZLIPZZQC-UHFFFAOYSA-N 397.401 2.552 0 40 GFAB O=C(c1cncs1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840250 KLEJSMRQLVVCCN-IBGZPJMESA-N 389.452 2.711 0 40 GFAB O=C(CCc1ccc[nH]1)N1C[C@@H]2C[C@@H](COc3cncc(Cl)c3)O[C@@H]2C1 1565556142 OAVONUXJBLYNAH-DOPJRALCSA-N 375.856 2.691 0 40 GFAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccccc2Cl)o1 10619318 KJUYSRYYUISSHR-UHFFFAOYSA-N 391.836 2.944 0 40 GFAB Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3ccc(=O)oc3c2)CC1 1775977724 LBRWLPGIJVAMNA-UHFFFAOYSA-N 384.457 2.612 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1ccnc(N2CCCC2=O)c1 575619684 OSUJKIIWNMKQOY-UHFFFAOYSA-N 393.422 2.678 0 40 GFAB Cc1ccc2nc(N3CC(C(=O)N4CCN(c5ccccn5)CC4)C3)sc2c1 585250514 GQXPZROBQCMTKN-UHFFFAOYSA-N 393.516 2.785 0 40 GFAB O=C(c1cncc(Br)c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575605130 MMJAYHUGBKNCOA-CYBMUJFWSA-N 397.660 2.971 0 40 GFAB COc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1N1CCCC1=O 11446286 JJEIXCJCKYHVCS-UHFFFAOYSA-N 382.342 2.676 0 40 GFAB c1ccc(Cn2nnc3c(Sc4nnc(-c5ccncc5)o4)ncnc32)cc1 1035493 RGURFBGDVHQYTJ-UHFFFAOYSA-N 388.416 2.866 0 40 GFAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(C)=O)cc1 1378119 REXSKAQBOIQDOC-UHFFFAOYSA-N 394.427 2.857 0 40 GFAB O=C(NCCc1cn2ccccc2n1)C1CCN(C(=O)c2ccc(F)cc2)CC1 11534785 JYXKSYIEUIMNHN-UHFFFAOYSA-N 394.450 2.685 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1nc2ccccc2[nH]1 11660712 OGRMMOFHHIIPHL-UHFFFAOYSA-N 380.448 2.991 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(CN2CCOCC2)cc1 20573515 IUMPQHZMANBTCJ-UHFFFAOYSA-N 394.427 2.643 0 40 GFAB biogenic CCN(Cc1c(F)cccc1F)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 101580050 DAMXWQSBPYOPSI-UHFFFAOYSA-N 380.420 2.766 0 40 GFAB Cc1cccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 10448370 ZNTWQILPYXEMNH-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(Br)c2)c1 32796166 OHKLRQXAJVFWGU-NSHDSACASA-N 397.294 2.848 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C)cc1 32821075 BVGBKJVIGUYHBW-GOSISDBHSA-N 389.473 2.574 0 40 GFAB Cc1c(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1-c1ccccn1 32831374 RGTZRYWRDSIWIE-ZDUSSCGKSA-N 375.388 2.730 0 40 GFAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 22018581 LTEWMINOLYFDMK-OWFXSXJRSA-N 382.464 2.516 0 40 GFAB O=C(c1ccc(Cn2cncn2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 22979929 OGLCHTCEEAXBJA-UHFFFAOYSA-N 395.894 2.938 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3Cc3ccccc3)ccc21 23198173 CMPKXYPUAULAHA-QGZVFWFLSA-N 377.444 2.557 0 40 GFAB O=C(C[C@H]1Sc2cc(C(=O)O)ccc2NC1=O)Nc1ccc(C(=O)O)cc1 61720838 DXJBLAORYBQKOO-CQSZACIVSA-N 386.385 2.525 0 40 GFAB Cc1c(C(=O)NCc2ccnc(-n3ccnc3)c2)cnn1-c1ccc(F)cc1 54629050 IOEVNSKVQWGQSA-UHFFFAOYSA-N 376.395 2.831 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCc1ccc2c(c1)OCO2 24381024 URSKPBZSMREJCB-UHFFFAOYSA-N 383.400 2.508 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 55441574 CGLRFZYYTDECAO-ORAYPTAESA-N 390.447 2.571 0 40 GFAB Cc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1S(=O)(=O)N(C)C 12506737 QWHOHZHDOUATSL-UHFFFAOYSA-N 386.477 2.693 0 40 GFAB CCOc1cccc(N(CC(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)c1 22386884 NHEGJFVUETZICJ-UHFFFAOYSA-N 392.477 2.807 0 40 GFAB CCOC(=O)c1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc1 25492989 BIAQQVLZQGDZSM-UHFFFAOYSA-N 397.431 2.842 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)O)c12 26421284 PSBLLYMGWMMBQB-JTQLQIEISA-N 377.447 2.526 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 3265519 BQUJNFAUBARJEM-SFHVURJKSA-N 388.445 2.541 0 40 GFAB in-vitro CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)c1n[nH]c(C)n1)c1ccc(C)cc1 57890338 IPBGBBMJVHXWGW-PZJWPPBQSA-N 391.475 2.895 0 40 GFAB CCCCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 3399076 LYDUBWIJJGBWQR-UHFFFAOYSA-N 379.482 2.638 0 40 GFAB COc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22332746 LQMSPTVFFCYMPP-IBGZPJMESA-N 388.489 2.655 0 40 GFAB CCOc1cccc([C@H](C)NC(=O)CSCC(=O)Nc2cc(C)on2)c1 58178633 CEKJKCPWTALCLT-ZDUSSCGKSA-N 377.466 2.931 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c12 58174489 BOOZYABOZFDNGT-UHFFFAOYSA-N 377.404 2.851 0 40 GFAB Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2cnc3onc(C)c3c2)c1 58167674 KMHHOHHPIGTYFX-UHFFFAOYSA-N 375.450 2.848 0 40 GFAB NS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1Cl 10221412 VWJVPRBPNKYZDZ-UHFFFAOYSA-N 378.881 2.839 0 40 GFAB CCc1n[nH]c(SCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)n1 58209120 JUKFCEZUZOWPKN-BETUJISGSA-N 375.498 2.712 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OC)c(OC)c1 2249238 LLHFXVMRYIBJRS-BZNIZROVSA-N 390.461 2.916 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3nc4c(s3)CCCC4)ccc21 12750823 DUJVBYFTAWJLFO-UHFFFAOYSA-N 377.491 2.596 0 40 GFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c12 10772744 RDMJQZDFKDWDBX-ZDUSSCGKSA-N 378.432 2.768 0 40 GFAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c1 408610145 VAOCYXJOIDOAJU-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 48275379 QGUKHXZEYLLCHC-SFHVURJKSA-N 390.491 2.946 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2CCSC2=O)ccc1C 12992426 SLECOJJZWQATSI-UHFFFAOYSA-N 399.538 2.523 0 40 GFAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 3595410 SYCCXGBEWHRCTO-LJQANCHMSA-N 377.872 2.756 0 40 GFAB CCn1nc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2c1=O 4289391 RXTFAMDQSBDGAG-GFCCVEGCSA-N 390.399 2.571 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCCc1ccco1 13721108 CVGSXJMFPASBDY-UHFFFAOYSA-N 395.459 2.844 0 40 GFAB CCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1cccs1 6169086 DKKTVYMXNNKPLZ-UHFFFAOYSA-N 393.519 2.918 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14015646 RLGFZCOZEWWIRQ-SOFGYWHQSA-N 391.427 2.935 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 5450015 HHQNOOXYJPLKDK-LJQANCHMSA-N 388.807 2.915 0 40 GFAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)c1cc2ccccc2o1 14313044 ZBBZNVPNTFTIEE-GFCCVEGCSA-N 378.475 2.992 0 40 GFAB COc1ccc2c(C)c(CC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc2c1OC 6623853 GVKPVVNECGOBLC-QGZVFWFLSA-N 397.427 2.511 0 40 GFAB biogenic COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1 6752898 QEMJWJDMNAUYMH-FQEVSTJZSA-N 379.416 2.719 0 40 GFAB COC[C@@H](C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O 6788644 KSGHJASJOZLDCD-LLVKDONJSA-N 388.449 2.631 0 40 GFAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cncc(Br)c2)cc1 6916606 VYDJKUDOJXMETO-UHFFFAOYSA-N 377.194 2.842 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3c(C)cccc3C)c(=O)c2=O)cc1 67256017 XCTAZZRECURAIP-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cccc(C)c2C)c1 7389760 IMURZAYKXKAJEQ-UHFFFAOYSA-N 398.459 2.944 0 40 GFAB Cc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 7457877 NSZCEDCPOOFMKE-INIZCTEOSA-N 394.475 2.629 0 40 GFAB CCOc1ccccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 7598579 RWCYCQLLKWUALM-UHFFFAOYSA-N 381.432 2.901 0 40 GFAB CCN1CCN([C@@H](C)C(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)CC1 19372526 DLAFSYGNSLPNAV-LBPRGKRZSA-N 392.887 2.572 0 40 GFAB O=C(NCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8075120 RFRVASVULPXIBT-UHFFFAOYSA-N 393.896 2.556 0 40 GFAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@H]1CCCO1)n2CC 8011651 UIFTUTVAGGRVRF-CQSZACIVSA-N 391.493 2.620 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC=C(c2ccnc3[nH]ccc23)CC1 96008954 TZVZYYPKZAGKGE-UHFFFAOYSA-N 397.456 2.812 0 40 GFAB COc1cccc(C(=O)NCc2nnc(SCCOc3ccccc3)n2C)c1 9426768 REASYRMOVYKLPS-UHFFFAOYSA-N 398.488 2.925 0 40 GFAB CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CC)CC3)C2=O)cc1 19832328 QNZRVKFIGHOQNU-HXUWFJFHSA-N 387.524 2.915 0 40 GFAB CC(C)n1ncc2c(C(=O)NCc3nnc4ccccn34)cc(C3CC3)nc21 9547731 ATRLCWBBLQXJKV-UHFFFAOYSA-N 375.436 2.862 0 40 GFAB C[C@@H]1CN(Cc2coc(-c3cccs3)n2)CCN1c1nccn2cnnc12 89939347 UZFYWPXITIMVLP-CYBMUJFWSA-N 381.465 2.552 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)Cc1csc(-c2cccnc2)n1 72296358 RKCWQHUIPPOUHE-UHFFFAOYSA-N 396.472 2.665 0 40 GFAB Cc1nc(COC(=O)c2ncc(Br)cc2Br)no1 97115566 CCQQBIZVIXHTHS-UHFFFAOYSA-N 376.992 2.655 0 40 GFAB CCOC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 79099568 IUZFJJYGNDYNLK-HNNXBMFYSA-N 383.448 2.761 0 40 GFAB Cc1csc(=O)n1CCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 95972102 COIYBFDFDKUEBL-MRXNPFEDSA-N 376.478 2.808 0 40 GFAB CCc1ccc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)cc1 67263259 METQRZQPVKQQOL-UHFFFAOYSA-N 379.439 2.931 0 40 GFAB CCO[C@@H]1C[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)[C@H]1Oc1ccccc1 1556309103 LFIAGDCCMHQBMQ-RCLSDMTESA-N 380.444 2.602 0 40 GFAB CCOc1c(Br)cc(/C=C/C(=O)NCCC(=O)OC)cc1OC 62714737 YOXKBFPUGGQDBB-AATRIKPKSA-N 386.242 2.549 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1)N1CCCC12CCC2 562569671 GBGMQLZOVYSNSD-UHFFFAOYSA-N 393.509 2.694 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC(C(C)C)C(C)C 225742904 RBGFNTWXSQUBID-UHFFFAOYSA-N 384.542 2.675 0 40 GFAB CN(C)[C@@H](CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1ccco1 49944434 BCDMFUVDUQNSEP-INIZCTEOSA-N 377.872 2.862 0 40 GFAB CCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(C)c2)c1 224657067 PEDPTMKDIBLLMO-UHFFFAOYSA-N 379.434 2.682 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 222480609 YHAANASTUXHCCF-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 223524097 AXIBSYYGNLZSTB-UHFFFAOYSA-N 382.467 2.526 0 40 GFAB Cn1cnc2cc(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)ccc21 225891111 POCMUNKHNYHRKM-UHFFFAOYSA-N 378.461 2.881 0 40 GFAB COc1cc(N(CC(=O)O)S(=O)(=O)c2cccs2)c(OC)cc1Cl 225143274 UZSGDSRXZZCLIR-UHFFFAOYSA-N 391.854 2.699 0 40 GFAB COC(=O)CSc1nnc(NC(=O)COc2ccc3c(c2)CCCC3)s1 223229603 POBGGVJOMZFKCM-UHFFFAOYSA-N 393.490 2.700 0 40 GFAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc12 96242077 WMAIKYSEAJSESC-KRWDZBQOSA-N 392.565 2.972 0 40 GFAB Cc1ccc(CN2CC[C@]3(COCc4c(C)nc(N5CCOCC5)nc43)C2)cc1 96244562 MBQAQYFUUHLNCA-HSZRJFAPSA-N 394.519 2.604 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(F)cc1 96520144 KAGZJDPITWKEHS-UWVGGRQHSA-N 392.617 2.621 0 40 GFAB O=C(O)C[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 238094745 IBHSEHBLELEPLY-LJQANCHMSA-N 380.444 2.871 0 40 GFAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1ccccc1F 95472935 UIXPPHRCIGDVNX-UHFFFAOYSA-N 388.439 2.850 0 40 GFAB CC(C)Oc1ccc(NC(=O)c2nc3c(s2)CCCN3S(C)(=O)=O)cc1 96146868 CZQLUWVZPBVIKJ-UHFFFAOYSA-N 395.506 2.895 0 40 GFAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 92558833 QWHIXXWYIZYUPE-JQHSSLGASA-N 379.545 2.870 0 40 GFAB COc1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 243827349 QYBSRCOUNJYXST-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB COc1cc(C(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc(OC)c1OC 242912433 GUAONOLZHHXLRL-UHFFFAOYSA-N 390.480 2.623 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 257267473 MHLMIIPFVYQNEY-ICSRJNTNSA-N 376.428 2.794 0 40 GFAB Nc1ccccc1S(=O)(=O)c1cccc(S(=O)(=O)Oc2ccccc2)c1 255189087 NOWSOQVLUUYDML-UHFFFAOYSA-N 389.454 2.869 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCC2(O)CCCC2)[C@@H]1c1ccccc1F 257276519 NUCGIBHRQICTID-APWZRJJASA-N 376.472 2.937 0 40 GFAB CN(C)CCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CNCC[C@@H]32)c1 257328885 XHMATOYELFMZCV-VABKMULXSA-N 393.531 2.845 0 40 GFAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 257250715 JNTBISCLFBBXBL-INIZCTEOSA-N 375.450 2.637 0 40 GFAB CC(C)n1ccnc1CN1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CC1 651266797 FDOTYMWYGWLIEC-CTNGQTDRSA-N 397.523 2.671 0 40 GFAB COc1cc2nc(N3C[C@H](C)O[C@@H](CC(F)(F)F)C3)nc(N)c2cc1OC 664637496 CXMPEQNHVYJYLB-UWVGGRQHSA-N 386.374 2.775 0 40 GFAB CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)n[nH]2)CC1 390828040 NVCTZPWQJTVCAN-UHFFFAOYSA-N 376.379 2.816 0 40 GFAB CCOc1cc(=O)n2c(c1C(=O)N1CCN(c3ccccc3F)CC1)CCCC2 169752895 UHQBJTNSDPQWQL-UHFFFAOYSA-N 399.466 2.685 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccnn2C)nc1 952989926 QDSNDQAJGIWVJN-UHFFFAOYSA-N 376.869 2.922 0 40 GFAB C[C@H]1CCN(C(=O)COC(=O)CN2CCCCCC2=O)c2ccccc2S1 11875497 MSLXVKZXUUKLMI-HNNXBMFYSA-N 390.505 2.850 0 40 GFAB COc1ccc(CN(Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)cc1OC 12187312 FQCOLFWLARKJGW-SFHVURJKSA-N 386.496 2.741 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)CCc3ccccc3)ncc2C1 19018500 GYDNVOMGFNMGOX-HXUWFJFHSA-N 378.476 2.678 0 40 GFAB O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19331917 DUYCTPKEHMLNBR-SFHVURJKSA-N 391.519 2.742 0 40 GFAB CC1CCN(c2nc([C@@H](C)NC(=O)Cc3c[nH]c4ccccc34)cc(=O)[nH]2)CC1 19497003 FYLRJSYWXATHMN-OAHLLOKOSA-N 393.491 2.907 0 40 GFAB CC(C)CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703124 VZEYTVHVZXFIEF-INIZCTEOSA-N 389.521 2.798 0 40 GFAB O=C(CN1CCN(Cc2cnn(CC(F)F)c2)CC1)Nc1ccccc1Cl 507007643 KQAJBRFJPSEYDQ-UHFFFAOYSA-N 397.857 2.558 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)c(OC)c1 226323236 RKMIGOONISKYNE-RMKNXTFCSA-N 386.429 2.928 0 40 GFAB Cn1ccc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)n1 643558830 VBHOJSHEJIPFSS-UHFFFAOYSA-N 390.871 2.508 0 40 GFAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)n2)s1 643551155 YSASXCIIDCSEML-OAHLLOKOSA-N 399.520 2.774 0 40 GFAB COc1ccc(F)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)c1 247868205 BVHYRRVFSMFKEX-QYWGDWMGSA-N 398.482 2.847 0 40 GFAB O=C1[C@@H]2CN(c3ncc(C(F)(F)F)cc3F)C[C@H]2C(=O)N1Cc1ccccc1 1888876498 IKZJZJHVUIPZRY-ZIAGYGMSSA-N 393.340 2.861 0 40 GFAB Cc1nc(C2CC2)nc(OCC2CCN(c3ccc4nncn4n3)CC2)c1C 1888909643 STVJPECGCWDRSZ-UHFFFAOYSA-N 379.468 2.704 0 40 GFAB COc1ccnc(N2CC[C@H](COc3ccc4nc(C(C)(C)C)cn4n3)C2)n1 2087044670 WDLZTERIYITKLI-AWEZNQCLSA-N 382.468 2.731 0 40 GFAB O=C(O)CCCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O 2976008 ATXCGBXNLTVEAD-UHFFFAOYSA-N 377.466 2.541 0 40 GFAB COc1ccc(N2C(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4387451 BJULYDNDKLHPJE-RBUKOAKNSA-N 386.473 2.924 0 40 GFAB CCc1ccccc1N1C(=O)N(c2ccc(OC)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 4387460 APAAZXCOACJHRQ-OALUTQOASA-N 386.473 2.870 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc(F)cc2)o1 4496313 APECXPMPWOZHNK-UHFFFAOYSA-N 393.371 2.817 0 40 GFAB CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 5241343 UJEIHOMKZXTNOR-UHFFFAOYSA-N 392.502 2.772 0 40 GFAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)c1 5409537 UZDIQOMQKJYXIX-UHFFFAOYSA-N 391.427 2.517 0 40 GFAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9035976 YAXUDWXKUUEALW-INIZCTEOSA-N 388.489 2.725 0 40 GFAB COc1ccccc1N1C(=O)N[C@](NC(=O)c2cccs2)(C(F)(F)F)C1=O 9486766 XZZJIVPHWILPEL-HNNXBMFYSA-N 399.350 2.502 0 40 GFAB CCCOc1cc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nc(C)n1 12224097 FHIUOZWJDUFOKD-UHFFFAOYSA-N 385.468 2.937 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)Cc3ccc(F)cc3)n2)cc1 13796060 BIZJRUOAIPTLQE-UHFFFAOYSA-N 395.434 2.807 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccco2)ccc1=O 13797745 ZJZSFVPXUPLYOG-UHFFFAOYSA-N 387.823 2.742 0 40 GFAB Cc1noc(C)c1CN1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c1)CCC2(F)F 2055747579 JMUBHWXQHLTSED-GOSISDBHSA-N 378.423 2.993 0 40 GFAB COc1cccc(CSc2nc(O)cc(CC(=O)NCc3ccco3)n2)c1 23138108 FYGLEHCLLSLGQU-UHFFFAOYSA-N 385.445 2.935 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(c2ncccn2)CC1 40131364 LAQUHDIVEYULGS-UHFFFAOYSA-N 390.491 2.812 0 40 GFAB COc1ccc2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2c1 18183350 XMMWRJWKZFGTAB-CHWSQXEVSA-N 387.461 2.809 0 40 GFAB Cc1cc(I)cnc1NC(=S)NC(=O)C(C)(C)C 6572504 CMEOJICBXMJELJ-UHFFFAOYSA-N 377.251 2.854 0 40 GFAB CCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 6778950 ICMLEIUMXTYBBN-UHFFFAOYSA-N 394.468 2.946 0 40 GFAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 7232385 WVDIUCIKTINJFY-GOEBONIOSA-N 384.407 2.917 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc21 7666763 PNURWYOUTOAFJZ-UHFFFAOYSA-N 378.881 2.982 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 8015593 RCEXPVAVOVKJAY-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8298206 HCNBGFDQDSTCAO-NRSPTQNISA-N 381.524 2.648 0 40 GFAB biogenic,in-vitro COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(O)CC2)cc1 21334871 BMUQVHIVOPJEGS-QFIPXVFZSA-N 393.487 2.830 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 32760495 DKYYFITUDYNYGL-UHFFFAOYSA-N 395.390 2.634 0 40 GFAB CCn1nc(C)c(C(=O)N2CCC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)c1C 100137895 NOVKFXQLVFDTKF-OAHLLOKOSA-N 382.468 2.596 0 40 GFAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)nc1 21592004 UBFZXDZEWIIJNL-MRXNPFEDSA-N 383.448 2.719 0 40 GFAB COc1ccc(CCNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1OC 32862770 LXHIZNRQZAXTOB-UHFFFAOYSA-N 397.475 2.873 0 40 GFAB Cc1ccc(-c2nnn(Cc3noc([C@H]4COc5ccccc5O4)n3)n2)cc1 89642623 SHBOCRPYVLUZGT-MRXNPFEDSA-N 376.376 2.592 0 40 GFAB CCOC(=O)CSc1nnc(CSc2cc(C)nc(N3CCCC3)n2)o1 643185 BSFGMZIMTMKIDB-UHFFFAOYSA-N 395.510 2.716 0 40 GFAB COc1ccc2c(COC(=O)CCNC(=O)c3ccsc3)cc(=O)oc2c1 22539942 UHUWQSHWLRDODM-UHFFFAOYSA-N 387.413 2.726 0 40 GFAB O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 89775028 WCKDOVYTZFNDLH-YJBOKZPZSA-N 379.428 2.800 0 40 GFAB Cc1cc(C)cc(N(C)S(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c1 53669637 HQOWEVDGENPCEU-UHFFFAOYSA-N 377.418 2.598 0 40 GFAB CC(C)c1ccc(-c2noc(CCC(=O)NCCCN3CCCC3=O)n2)cc1 22627051 NLCKQSSBSTWEHU-UHFFFAOYSA-N 384.480 2.921 0 40 GFAB Cc1nn(C(C)(C)C)c(C)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 46917672 QTWOHWBZHPCHTA-IBGZPJMESA-N 384.524 2.886 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@H]1CCCN(c2ncccn2)C1 54017409 NJVUVECPIHHEPP-IBGZPJMESA-N 378.476 2.713 0 40 GFAB O=C(CSc1ccc2c(c1)OCCO2)NCc1ccc(N2CCCC2)nc1 23101207 BSAKABAXKRAXKT-UHFFFAOYSA-N 385.489 2.862 0 40 GFAB CCOCCCNC(=S)N1[C@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2 100433879 HMAMSDRUYWHYFN-ROUUACIJSA-N 396.601 2.915 0 40 GFAB NS(=O)(=O)c1ccc(OCCN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 89866582 HPSLIEIPINTUOX-UHFFFAOYSA-N 397.500 2.983 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 24949985 VYFMCURIFXNHEJ-KRWDZBQOSA-N 379.460 2.720 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 12554849 QBTQPVMWBPUIDE-ZDUSSCGKSA-N 384.436 2.594 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24570148 ZUHJSVKXBZQETF-HNNXBMFYSA-N 384.407 2.956 0 40 GFAB Cc1cccc(NC(=O)NCC(=O)NCCCn2c(C)nc3ccccc32)c1 57346113 ZXADGROGPCWFKB-UHFFFAOYSA-N 379.464 2.981 0 40 GFAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1 23107886 ITBUPOHAASBGTR-HNNXBMFYSA-N 386.926 2.753 0 40 GFAB CCOC(=O)c1ccc(N[C@@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)cc1 2050592 NIXKATASQSLITG-MRXNPFEDSA-N 390.358 2.623 0 40 GFAB C[C@H](SCCOc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 12624272 QHNJQVFSMROBIW-HOCLYGCPSA-N 399.578 2.788 0 40 GFAB NC(=O)CN(CCC1CCCCC1)C(=O)c1ccc(NC(=O)NC2CC2)cc1 58263753 YWUXXZHIOQNVAM-UHFFFAOYSA-N 386.496 2.868 0 40 GFAB CNC(=O)Cc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 58325366 QDZXGKKHSIIECH-SFHVURJKSA-N 380.448 2.610 0 40 GFAB COc1ccc(/C=C/C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 2361783 LWCLZZZQQQKYLJ-YXMGTMDOSA-N 391.514 2.986 0 40 GFAB C[C@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(C(=O)c2ccco2)CC1 48299920 KTXWIQGODHATQW-INIZCTEOSA-N 381.476 2.943 0 40 GFAB Cc1cccc(CN2CCC(NC(=O)CNC(=O)Cc3cccc(F)c3)CC2)c1 48364001 SSYUJUBVHIKHFC-UHFFFAOYSA-N 397.494 2.574 0 40 GFAB O=C(Nc1cccc2cccnc12)c1ccccc1S(=O)(=O)N1CCOCC1 48375233 GCKCTEURPALMHT-UHFFFAOYSA-N 397.456 2.508 0 40 GFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(OC)c1OC 13100877 NYJRAXNBSKQKEW-KCQAQPDRSA-N 379.453 2.810 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCCCc3ccco3)cc2s1 13692159 CGJJFRILAMEILO-UHFFFAOYSA-N 379.463 2.623 0 40 GFAB CC(C)[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 13988359 DLEACGPARBOCEE-CABCVRRESA-N 379.461 2.747 0 40 GFAB CC(=O)Nc1cc(I)cc(I)c1 4416577 MTDBACVTKZPVSF-UHFFFAOYSA-N 386.958 2.854 0 40 GFAB COc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc(OC)c1OC 4487715 CVPMJDWEOKGQLR-ZDUSSCGKSA-N 376.453 2.832 0 40 GFAB CC(=O)Nc1ccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 5367385 NSFAQAGEKOMTBJ-UHFFFAOYSA-N 392.419 2.821 0 40 GFAB NC(=O)c1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 14100019 QJWSKGTXZQPQBU-UHFFFAOYSA-N 383.473 2.835 0 40 GFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nccc3ccccc23)c1 14390737 CCIFBSJCAPLXJS-UHFFFAOYSA-N 389.864 2.726 0 40 GFAB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(Br)cc1 6645937 KUDOUQNPFDOWAT-RQZCQDPDSA-N 378.182 2.886 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 4992501 QQEGIWFIPAGCEK-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1 409342002 BAHZZEIKMSZBEP-UHFFFAOYSA-N 381.461 2.727 0 40 GFAB Cc1cc(C)cc(OCCOC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c1 7215956 OLVWUBVBRUWRPO-UHFFFAOYSA-N 383.853 2.840 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)cc2)n(C)c1=O 8628273 IVBBKTOHLMJIKS-HNNXBMFYSA-N 381.480 2.793 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1C 9668680 IPUMAINIJSWGQQ-UHFFFAOYSA-N 389.477 2.894 0 40 GFAB CC(C)c1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 22386728 MZUNRBCVFLFSPA-UHFFFAOYSA-N 390.461 2.943 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(C)cc1 20636708 PGVANTOMROFXNR-WOJBJXKFSA-N 391.471 2.760 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113967178 GNXKRZNAWIPVTO-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccncc3)n2)cn1 35425215 MHYUNZKEUZCSJO-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro CCn1ncc(-c2cc(C(F)F)nc(NCCCN3CCOCC3)n2)c1C 36614227 HLTQAJDRUADFGC-UHFFFAOYSA-N 380.443 2.740 0 40 GFAB O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1nc2ccccc2s1 36657912 HXSXLPBNUITIRF-UHFFFAOYSA-N 396.457 2.976 0 40 GFAB CCn1cc([C@H]2OCC[C@@H]2CN2CCN(C(=O)c3cccc(F)c3)CC2)cn1 1552519245 GSKCJFUDGSPICC-XLIONFOSSA-N 386.471 2.578 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 408923873 HPEUDHCQMKNGFW-INIZCTEOSA-N 390.505 2.599 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 30567641 HIQGFQVEUHIMAQ-UHFFFAOYSA-N 387.443 2.679 0 40 GFAB CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1OC 33734022 NXVQPHPEOXSCKC-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)NCCn1cnc(-c2ccccc2)cc1=O 70655835 PBCQBHNVFORTIH-UHFFFAOYSA-N 399.454 2.741 0 40 GFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 222904757 ISAGBCZAOFYFSN-CQSZACIVSA-N 386.423 2.998 0 40 GFAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cccc(-n2cnnn2)c1 43939708 XEOKBFTXEPGJQP-UHFFFAOYSA-N 389.444 2.884 0 40 GFAB CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OCC)cc2)cc1 224584927 LLJNXIXZTAUVNW-UHFFFAOYSA-N 379.434 2.764 0 40 GFAB CSCC[C@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)C(=O)O 41155355 JQPJRWKBVKVDFK-ZDUSSCGKSA-N 381.429 2.521 0 40 GFAB Cc1nc(C)c(-c2nnc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)o2)s1 49029343 WZCKHANCFJAXAW-UHFFFAOYSA-N 397.416 2.716 0 40 GFAB CO[C@H](CNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1C 96105120 LIHXQLJIMSHIEZ-WRWLIDTKSA-N 379.522 2.997 0 40 GFAB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)nc2N1 95346140 OTBFORVHEIXCFR-MELADBBJSA-N 399.838 2.543 0 40 GFAB COc1cccc(CC(=O)N2CC[C@]3(CCCN(c4cc(OC)ncn4)C3)C2)c1 96216555 NMAQTXYRXLTJST-QFIPXVFZSA-N 396.491 2.555 0 40 GFAB COc1cccc(CC(=O)N2CC[C@@]3(CCCN(c4cc(OC)ncn4)C3)C2)c1 96216560 NMAQTXYRXLTJST-JOCHJYFZSA-N 396.491 2.555 0 40 GFAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)c(F)c2)n1 604382584 SRXOYRVRFWAGGT-XNFNUYLZSA-N 391.462 2.568 0 40 GFAB biogenic,in-vitro CC(C)n1nccc1-c1cccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257244727 IMNKEUFVBANSRB-OAHLLOKOSA-N 377.514 2.512 0 40 GFAB O=C(CN1CCCC1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257334314 YFJZEHZYXCPYKB-FXAWDEMLSA-N 386.492 2.709 0 40 GFAB O=C(O)c1ccccc1-c1ccc(CN2CC(c3n[nH]c4nccnc34)C2)o1 257240499 HTTMUCJXCQYBCV-UHFFFAOYSA-N 375.388 2.911 0 40 GFAB COc1ccc(CN2C[C@@H]3CN(Cc4ccccn4)CCN3C(C)(C)C2)cc1 253403426 PVEJNEQTVCGEDV-NRFANRHFSA-N 380.536 2.871 0 40 GFAB biogenic,in-vitro CCc1nccn1-c1cccc([C@@H]2CCCN2CC(=O)NCc2ccccn2)n1 257321982 WEDUJNOCEOSWOW-IBGZPJMESA-N 390.491 2.678 0 40 GFAB COCCn1nc(CNC(=O)Cc2ccc(OC)c(OC)c2)cc1-c1ccco1 90607029 FDLCAMJCBCHTIK-UHFFFAOYSA-N 399.447 2.666 0 40 GFAB CCc1nc(S(=O)(=O)N2CCC(=O)c3ccc(OC)cc32)cn1CC1CC1 663298107 BJAMURMJSRXZGF-UHFFFAOYSA-N 389.477 2.646 0 40 GFAB O=C(NCc1nnc2n1CCOC2)N1CCC([C@@H](F)c2ccccc2F)CC1 606443638 VUPAWLGYGLYMLM-GOSISDBHSA-N 391.422 2.580 0 40 GFAB CONS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1 55376136 VAZYIIIVKLSPNQ-UHFFFAOYSA-N 395.506 2.894 0 40 GFAB CCCn1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c(C)n1 1615159864 QBLPCRPNSAYQLX-QFIPXVFZSA-N 396.491 2.640 0 40 GFAB C[C@H]1CN(Cc2c(Cl)cccc2N2CCCC2)C[C@@H]1C(=O)N1CCOCC1 1616030975 CPJAJOBGDMRWFU-IRXDYDNUSA-N 391.943 2.867 0 40 GFAB Cc1cc2nnn(C[C@@H](C)NC(=O)CCn3ncc4ccccc43)c2cc1C 12145308 NTBDRWRHKAUUIF-MRXNPFEDSA-N 376.464 2.993 0 40 GFAB COc1cccc(CC(=O)N2CCC(n3nc(-c4ccoc4C)oc3=O)CC2)c1 12182927 ZKDQXXOKRYKGQF-UHFFFAOYSA-N 397.431 2.820 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCCc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)cc1 12241185 NNPJOAOMIBBSNZ-ZRGWGRIASA-N 396.491 2.906 0 40 GFAB CCc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 12776435 FMWYZWRRCNHKLR-CWIFOLKKSA-N 377.437 2.584 0 40 GFAB COC(=O)Cn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 12923182 VGOBXPWDYJWPKM-ZDLGFXPLSA-N 389.436 2.585 0 40 GFAB CCN(CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 15364888 MFUSPDUMXDCOKL-UHFFFAOYSA-N 375.494 2.840 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)[nH]n1 19451815 MUZBFVBNVKIQGR-QGZVFWFLSA-N 378.436 2.656 0 40 GFAB CCc1[nH]c(=O)c(C(=O)N2CCN(c3nsc4ccccc34)CC2)cc1C 19521452 MQWFKRRJMYZBOD-UHFFFAOYSA-N 382.489 2.818 0 40 GFAB CN(C)c1nccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 19585820 OKDVGSAWHIIXPN-SFHVURJKSA-N 394.454 2.978 0 40 GFAB CN(CC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)Cc1ccccn1 19661323 XCZNFKHWMSAULL-UHFFFAOYSA-N 392.425 2.881 0 40 GFAB COc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cn1 19719099 LOCZSRXYSGYMKI-KRWDZBQOSA-N 375.856 2.547 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Br 19855561 VMEJJJCQKNYHOA-UHFFFAOYSA-N 383.267 2.854 0 40 GFAB c1ccc(-c2ccccc2OCc2cc(N3CCNCC3)n3ncnc3n2)cc1 19927112 GRGOWNGCJVOTMG-UHFFFAOYSA-N 386.459 2.780 0 40 GFAB COc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2OC)C(=O)NC1=S 8169236 DDUNQRLBQSIVJQ-ACCUITESSA-N 398.440 2.544 0 40 GFAB Cc1cc(N2CCCC2)nc(N2CCN(c3cnc4ccccc4n3)CC2)n1 1889192031 YLCNXRALSADLNY-UHFFFAOYSA-N 375.480 2.655 0 40 GFAB O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)cc1C(F)(F)F 32913435 STBQITBJRUBSGB-UHFFFAOYSA-N 380.779 2.539 0 40 GFAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccccc1Cl 245171847 XYCIDXPHFOSZTL-SFHVURJKSA-N 390.848 2.985 0 40 GFAB COc1ccnc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037988524 RAMIZDRKDLOWHQ-JOCHJYFZSA-N 395.459 2.519 0 40 GFAB COC(=O)CCCCC1=C(NC(C)=O)[C@H](NC(=O)c2ccccc2)CS1 2129514 UBADDDCALAXWIW-OAHLLOKOSA-N 376.478 2.613 0 40 GFAB biogenic O=C(Cc1ccccc1)Nc1nnc(SCC(=O)NC2CCCC2)s1 4328498 ISJSJLVBYDFPPZ-UHFFFAOYSA-N 376.507 2.870 0 40 GFAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3OC)ccc2c1=O 4791285 UYOOBJZGEOXOPE-UHFFFAOYSA-N 395.459 2.819 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)c1 4855083 CDMZWWPHDAFINK-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB COc1c(C)c(C)c(OC)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1C 6668573 YRTFWKXGCTVLGE-UHFFFAOYSA-N 390.461 2.776 0 40 GFAB O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCCC1 9663222 RFTQEVFLGXIAOD-QGZVFWFLSA-N 392.459 2.554 0 40 GFAB C/C=C/Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O 10104944 DXZKJNLJSFQWHM-AATRIKPKSA-N 379.464 2.631 0 40 GFAB O=C(NCC1CCN([C@H]2CCSC2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 225575554 UDJZTZGJTZFPLF-AWEZNQCLSA-N 399.919 2.751 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)CCc3c(C)noc3C)n2)cc1 49027347 NDSIAWIOLNHBDI-UHFFFAOYSA-N 386.408 2.511 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CC[C@H](Oc3nc(C)cc(C)n3)C2)n[nH]1 575413885 MLEMVFIZQSGHNY-HNNXBMFYSA-N 393.447 2.786 0 40 GFAB Cc1occc1C(=O)Nc1nc(CC(=O)Nn2cnc3ccccc32)cs1 40144370 SKFXMMBAQBZKFJ-UHFFFAOYSA-N 381.417 2.959 0 40 GFAB COc1cc([C@H]2CC(=O)NC3=NC(=O)N(c4ccccc4)[C@H]32)cc(OC)c1OC 100251081 BDBILAUCZYGTAO-KDOFPFPSSA-N 395.415 2.723 0 40 GFAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2sccc2C(N)=O)cc1 6912508 MIGQRJSTSWRSRC-UHFFFAOYSA-N 387.490 2.775 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(OC(F)(F)F)cc1 11283007 KBVIZTDWWRAXSU-GJZGRUSLSA-N 398.381 2.767 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 1379240 ASYUPMRGDBGEFR-GOSISDBHSA-N 376.453 2.604 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)cn1C 31668607 NVTLWYYZQUUNPW-UHFFFAOYSA-N 377.466 2.507 0 40 GFAB COc1ccc(OCc2nnc(SCC(N)=O)n2-c2ccc(C)cc2)cc1 4125118 FPHBQXRRPQLNFD-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(CC(=O)NCc2ccc(F)cc2)CC1 4910119 SPMYQNOVGJSFBR-UHFFFAOYSA-N 383.467 2.645 0 40 GFAB COCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326432 OVBQDCCBSXZOLS-HNNXBMFYSA-N 388.489 2.511 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 10447888 RBYCFIPUDKCDAL-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB COc1ccccc1NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 8169287 FZOSSWMPQZOGGE-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 8223283 DDWUWVFVNJZWLN-LLVKDONJSA-N 387.288 2.977 0 40 GFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)s1 8474638 IKBOXYQYZZFPPZ-UHFFFAOYSA-N 396.856 2.709 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CCc2ccccn2)CC1 41003972 HNCUOMFXUFQECV-UHFFFAOYSA-N 379.913 2.592 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NCc1ccco1 9336756 LJCXWDWPYXDHDI-MRXNPFEDSA-N 396.534 2.613 0 40 GFAB COc1ccc(OC)c(CN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C2CC2)c1 52565567 JBBVKFAQDVDLCO-FPOVZHCZSA-N 388.508 2.838 0 40 GFAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnnn3C3CC3)c2C)cc1 8313859 ULALPJFSFSBVGL-UHFFFAOYSA-N 383.481 2.850 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014488 OLXBKELCWNVUGG-LUKYLMHMSA-N 385.851 2.868 0 40 GFAB Cc1nc(SCC(=O)NCC(C)(C)N2CCOCC2)n(C2CCCC2)c1C 22092834 FCQPDIQEGIXPPR-UHFFFAOYSA-N 394.585 2.934 0 40 GFAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@H](C)CC 28631792 QJJULDSUCQXEDB-FSDCSDTHSA-N 378.469 2.943 0 40 GFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1 883463 LQMLYKCVLAMCDM-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1ccc(C(=O)Nc2cnc3sc4c(n3c2=O)CCCC4)cc1OC 12371208 NJDMNHJMGXOMJM-UHFFFAOYSA-N 385.445 2.904 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)NCCC3=CCCCC3)CC2)C[C@@H](C)O1 42836905 SIQDJNSFKIAABB-CALCHBBNSA-N 377.529 2.934 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)cc1 100033418 RRACYGINEVLGTQ-DLBZAZTESA-N 397.822 2.580 0 40 GFAB COCCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccccc2)cc1C 47593680 VHBDNNIYFQDFFL-UHFFFAOYSA-N 393.505 2.858 0 40 GFAB CCc1nc(S[C@@H](C)C(=O)NC(=O)NC)nc(N)c1-c1ccc(Cl)cc1 24988391 GKIQEKUNQHCFBR-VIFPVBQESA-N 393.900 2.878 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 55941499 QQIGWKXHPWEBFA-CQSZACIVSA-N 385.489 2.999 0 40 GFAB CCOC(=O)c1sc2nc(C)nc(N3CCN(c4ncccn4)CC3)c2c1C 3255212 VJNDFQFBQPPVJV-UHFFFAOYSA-N 398.492 2.601 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3ccccc3n12 57522797 QYIFJYYBWDDFTR-UHFFFAOYSA-N 379.395 2.775 0 40 GFAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)NCc1ccc2c(c1)OCO2 58159146 HNQXNHOPKLQJGK-UHFFFAOYSA-N 387.867 2.507 0 40 GFAB CCOC(=O)c1ccc(N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)nc1 58194568 LXDQWXCLKJCTAR-CYBMUJFWSA-N 377.466 2.682 0 40 GFAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@H]2c1cccc(F)c1 10232646 SLWMZNYIULYRFZ-INIZCTEOSA-N 379.330 2.809 0 40 GFAB CNc1snc(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 27674543 RUCFGUQKBZSHNW-UHFFFAOYSA-N 385.415 2.869 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)CSCC(=O)Nc2cc(C)on2)cc1 58223252 IOIKZTJLNVILPC-CYBMUJFWSA-N 377.466 2.547 0 40 GFAB O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1cc(C2CC2)[nH]n1 58218221 CFROPFFABOSNNQ-UHFFFAOYSA-N 379.464 2.826 0 40 GFAB CSCC[C@H](C(=O)Nc1ncc(C)s1)N1C(=O)c2ccccc2C1=O 3555908 UOCPPMBANFFHNR-CYBMUJFWSA-N 375.475 2.808 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)n2ccsc2n1 7315586 NWZAZNVODJUROG-QGZVFWFLSA-N 395.440 2.763 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)C[C@@H](C)O1 13075176 CJVUYSRMQKBUCI-DTORHVGOSA-N 375.281 2.764 0 40 GFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 13149883 TUMAHFHNHGDZAZ-HDICACEKSA-N 395.503 2.973 0 40 GFAB COc1cccc(CN(C(=O)/C=C/c2ccco2)[C@H]2CCS(=O)(=O)C2)c1 15952798 QBBOIBYJFCNZTG-WAVCKPEOSA-N 375.446 2.517 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCC(C)CC3)CC2)c(C)c1 7616188 KJYAVBWRZSZRHN-UHFFFAOYSA-N 393.553 2.770 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CC[C@@]2(O)CCCC[C@H]2C1 4073262 RFGXLRUPPXILRS-WNSKOXEYSA-N 397.471 2.814 0 40 GFAB biogenic C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)C[C@H](C)O1 6152376 LNLVYZNRNGDEHX-KBPBESRZSA-N 392.452 2.876 0 40 GFAB COc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc(OC)c1OC 6611000 CYACVBMDEPTFOG-AWEZNQCLSA-N 399.443 2.843 0 40 GFAB CC(C)n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 8778055 IEXAXBNZEMATCM-UHFFFAOYSA-N 388.497 2.657 0 40 GFAB COC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1NC(=O)NCCO 9184145 YVIMMQJXPDPBJC-UHFFFAOYSA-N 386.433 2.567 0 40 GFAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CN2CCC(=O)Nc3cc(F)ccc32)[C@@H]1C 72308958 KQRKLCCHPGYTMZ-UMVBOHGHSA-N 390.459 2.625 0 40 GFAB C[C@@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 79103895 DPQVOIJSCRJBTK-YOEHRIQHSA-N 377.462 2.638 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(O)c1)SCC(O)=N2 79501510 LDOOEIRBLDHQIR-LRDDRELGSA-N 393.490 2.681 0 40 GFAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NC1CCCCC1 408973763 BMNOIBPSXSJODR-UHFFFAOYSA-N 376.478 2.919 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1 408552327 LXVMVSQCBKNSHH-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CCCCCCC1 408585291 YNFVBWMVUNDXOA-HNNXBMFYSA-N 382.526 2.900 0 40 GFAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(OC(F)(F)F)cc1 62001516 FMWZAKOXNSNVDD-CQSZACIVSA-N 393.321 2.665 0 40 GFAB biogenic O=C(CN1CCCC1=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72362676 DJGJCPIVDJPYNH-UHFFFAOYSA-N 398.438 2.736 0 40 GFAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 32854946 MVLIUGBTNYKGDQ-CDVVCGDMSA-N 376.503 2.945 0 40 GFAB NC(=O)C1CCN(Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 6764528 YJRQJBRVLILRDO-UHFFFAOYSA-N 378.428 2.863 0 40 GFAB biogenic Cc1ccc2[nH]nc(C(=O)Nc3cccc(OCCN4CCOCC4)c3)c2c1 72392136 VULUUINCCQKXDG-UHFFFAOYSA-N 380.448 2.835 0 40 GFAB COc1ccc(C[C@H](CO)[C@H](CO)Cc2ccc(OC)c(OC)c2)cc1OC 14437643 RCYOEYNMEUHMEP-HDICACEKSA-N 390.476 2.723 0 40 GFAB biogenic C[C@@H](NC(=O)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1)c1ccccc1 70656007 QOSDKSDYYZGJDR-AEFFLSMTSA-N 376.464 2.756 0 40 GFAB CC1=C[C@]2(Nc3cc(C(C)(C)C)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40545220 CPQBTFZJMOKVID-QGZVFWFLSA-N 394.269 2.837 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCc2ccccc2Cl)c1 40070321 MLTJEJAANUUOFD-UHFFFAOYSA-N 394.924 2.984 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)cc1 226001747 JTDMTAMCGYTOKV-UHFFFAOYSA-N 375.475 2.864 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 224377351 CAVJCZLDLBEYHM-CQSZACIVSA-N 386.473 2.661 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1 223639047 BLONFJKLVCINTK-HNNXBMFYSA-N 376.478 2.508 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1Cl 223682724 PULRQVIOUUTLEV-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1=CCCCC1 225099588 DQTXZGBRVXCZHW-GOSISDBHSA-N 380.510 2.856 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225422601 IDYBUDVZGIHWLU-KRWDZBQOSA-N 388.489 2.969 0 40 GFAB Cc1csc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 44920080 RPLUTKBVPAYTJS-UHFFFAOYSA-N 393.900 2.575 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(OC)cc3)ccc21 225688255 GTXGABYKWWQQPQ-UHFFFAOYSA-N 378.475 2.570 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(OC)cc3)c(Cl)cc21 223360611 DDMMNSNWKBJAAY-UHFFFAOYSA-N 396.852 2.755 0 40 GFAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3sncc3c2)c1 223015628 CTBJUGSEWDNOGK-UHFFFAOYSA-N 391.474 2.855 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2ncccc2Cl)CC1 96096883 VSDHXXIORHIVFJ-UHFFFAOYSA-N 387.823 2.713 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 96226882 FRYYXTHIEXXRHV-QUCCMNQESA-N 385.489 2.683 0 40 GFAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccc(C)s1)C2 96050141 KTNTXKVXEHAHGF-OAQYLSRUSA-N 383.517 2.896 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3F)C2)c(OC)c1 95945342 LQFVTEGFXXOVNK-KRWDZBQOSA-N 378.425 2.954 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nc(C)c(C)s1)C=C2 95477295 LDASCAOAVWIZDF-UHFFFAOYSA-N 387.461 2.771 0 40 GFAB CCC(CC)NC(=O)c1ccc2nnc([C@H]3CCN(c4ccc(C)nn4)C3)n2c1 96267553 QCUARXSZVUKMJQ-HNNXBMFYSA-N 393.495 2.740 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)CO)cc1 242543433 JZWLTCJZSATAHA-CEXWTWQISA-N 379.909 2.780 0 40 GFAB CCOC1CC2(CCN(C(=O)[C@@H]3CCCN(CC(=O)Nc4ccccc4)C3)C2)C1 585082627 UAWWPEQYYCKKOJ-TWEIKEKHSA-N 399.535 2.755 0 40 GFAB Cc1cc(N2CC3(CCCCC3)OC2=O)nc([C@H]2CCCN2S(C)(=O)=O)n1 257320047 VVCOPTJGNQKMRA-CQSZACIVSA-N 394.497 2.541 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 260913017 ZLDLXDBYCPHAID-VDZJLULYSA-N 376.522 2.701 0 40 GFAB Cc1cc(Cn2cc(CN3CCC[C@H]3CO)nn2)nc(-c2ccc(Cl)cc2)n1 641113250 YKKBVAZKKYBBKE-IBGZPJMESA-N 398.898 2.702 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H]3CCCn4ccnc43)cc2)C1 655695286 WGEULZZEIPLZFI-VQIMIIECSA-N 388.537 2.928 0 40 GFAB COc1c(C)ncnc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 656107491 CTWYMTTUJWTTAR-UHFFFAOYSA-N 380.370 2.775 0 40 GFAB CCCc1nnsc1C(=O)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390831559 SNAQRVMLDYMZCR-ZDUSSCGKSA-N 385.536 2.554 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCCC2)C3)c1 585105335 UGUGBGORSYBAPM-HXUWFJFHSA-N 388.508 2.811 0 40 GFAB Cc1nc(CN2C[C@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@H]3C2)cs1 585107578 HYFBRYJSSWIKEO-GASCZTMLSA-N 377.460 2.863 0 40 GFAB Cc1nccn1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12087362 KOQSCBQTYJGASY-INIZCTEOSA-N 397.504 2.731 0 40 GFAB COc1ccc(C(=O)N2CCC(c3noc(-c4cnccn4)n3)CC2)cc1OC 12187362 KSJONAGIBGEDNI-UHFFFAOYSA-N 395.419 2.564 0 40 GFAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)N3CCC(O)(c4ccccc4C)CC3)N2C=C1 12290334 JWXQNJYLAFTFMW-QFIPXVFZSA-N 393.487 2.668 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14182173 QPRGXVIWUKPXPU-UHFFFAOYSA-N 389.408 2.699 0 40 GFAB CN(Cc1ccccc1)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 15042142 JJQBSEVJRCFILN-UHFFFAOYSA-N 381.476 2.701 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3cc(C)nn23)cc1OC 19130742 JKDARWRNWDRCPQ-INIZCTEOSA-N 380.448 2.961 0 40 GFAB Cc1ncsc1C(=O)N1CCO[C@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704470 WDXLRQZVJDFMOT-OAQYLSRUSA-N 397.500 2.651 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1N1CCCC1=O 19931537 JSLJHGNRZGAPNK-UHFFFAOYSA-N 394.880 2.954 0 40 GFAB COc1ccc2cnc([C@H]3CCCN(C(=O)[C@H]4CC(=O)N(C)C4)C3)cc2c1C 19582614 OZMYIKOPDXLNBX-IRXDYDNUSA-N 381.476 2.736 0 40 GFAB Cc1noc([C@@H]2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)C2)n1 570588749 FUAWCZJORBEJML-SNVBAGLBSA-N 390.856 2.993 0 40 GFAB C[C@@H]1CN(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)C[C@@H](C)O1 3436461 CJVUYSRMQKBUCI-RKDXNWHRSA-N 375.281 2.764 0 40 GFAB O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 4865354 DSVJJYOLAAQMDN-RMKNXTFCSA-N 386.458 2.991 0 40 GFAB Cc1ncnc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)c1C 1888843931 BYAWGUUXDUXXPW-KBPBESRZSA-N 391.397 2.716 0 40 GFAB Cc1cnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)nc1 1888897064 GUGWBEYLZGCCME-UHFFFAOYSA-N 396.520 2.999 0 40 GFAB Cc1ncc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037988833 KPXCSWJQWUOFGG-NRFANRHFSA-N 384.455 2.712 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1OC 3007476 AHDZFXURZUUVHK-UHFFFAOYSA-N 379.372 2.799 0 40 GFAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccn(C)n3)nc12 11695520 WKJXDHGDPSTEPA-UHFFFAOYSA-N 393.900 2.900 0 40 GFAB COc1cccc(OCC(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c1 36700026 CFIAMGYLNPUIQO-NRFANRHFSA-N 384.476 2.654 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(c2nc(-c3ccccn3)no2)C1 49031951 LIDIAHQZCHINKW-UHFFFAOYSA-N 386.415 2.772 0 40 GFAB COc1ccc(CNC(=O)NCc2nccnc2-c2cccnc2)cc1OC 575618688 FLRXVPFYFFZXMY-UHFFFAOYSA-N 379.420 2.555 0 40 GFAB Cc1csc(NC(=O)C2=C(O)c3sc(Cl)cc3S(=O)(=O)N2C)n1 96190732 HCEOBGUNTZPXLG-UHFFFAOYSA-N 391.883 2.666 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C[C@H](O)COCc2cccs2)CC1 25304763 UTQMCFTYEBXKHV-IBGZPJMESA-N 388.533 2.654 0 40 GFAB Cc1cc(C(=O)N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)c(C)o1 25441896 DZTULJHIYYONEQ-UHFFFAOYSA-N 380.448 2.828 0 40 GFAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCN(Cc2ccncc2)CC1 25402592 YHUCIAXZPFFHHE-UHFFFAOYSA-N 395.894 2.938 0 40 GFAB O=C(NCc1ccco1)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 35349331 JGWQRJGLHWYDOH-BPZDKFOGSA-N 395.503 2.533 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(C(F)(F)F)cc1 12623871 ZENJQXCPMLSHNK-GASCZTMLSA-N 382.382 2.887 0 40 GFAB CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 7608509 LHMNLTHXKBZHJE-QGZVFWFLSA-N 396.553 2.962 0 40 GFAB CCOC(=O)c1sc2ncnc(NCCc3nnc4ccccn34)c2c1C 26760718 XYRRTPFWEKMVDC-UHFFFAOYSA-N 382.449 2.874 0 40 GFAB CCc1ccc(N(CC(=O)N(C)Cc2ccc(OC)cc2)S(C)(=O)=O)cc1 7871825 HAHCHNXPPKTNDZ-UHFFFAOYSA-N 390.505 2.682 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)c1 7940152 CIECDSZSMUPWOK-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1cccs1 3316684 NKKIKJGIBMEBEJ-UHFFFAOYSA-N 375.402 2.680 0 40 GFAB O=C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@@H]2c3ccccc3CCN12 36071073 JOMNCGGNGJDCKP-OAQYLSRUSA-N 396.512 2.696 0 40 GFAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1ccc2c(c1)OCCO2 2149393 MIWVTGHNVAWWSK-KRWDZBQOSA-N 375.384 2.833 0 40 GFAB biogenic CCOc1ccc(NC2=N[C@H](c3ccncc3)n3c(nc(C)cc3=O)N2)cc1 104017299 MNZHYQOUIHXLQK-SFHVURJKSA-N 376.420 2.786 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc3ccccc3n2)CC1)Nc1cccc(F)c1 36380052 FWJWNOJDGPZBCV-UHFFFAOYSA-N 392.434 2.770 0 40 GFAB Cc1ccc(-c2nn(CCC(=O)N3CCOCC3)c(=O)c3ccccc23)cc1 2399236 YJKBHJSNVKMVFA-UHFFFAOYSA-N 377.444 2.621 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 11191771 BIRSEBHYZJTFIP-UHFFFAOYSA-N 380.510 2.545 0 40 GFAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1ccc2c(c1)OCO2 11999397 TWDUZNSEUISIEM-KRWDZBQOSA-N 392.452 2.670 0 40 GFAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)cc1C 57427058 CHAOMKGDOHHADF-UHFFFAOYSA-N 399.516 2.805 0 40 GFAB CCCCN(CC)C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[C@H](C)CC 12551928 YPILDSZGWPYMBR-PBHICJAKSA-N 379.526 2.788 0 40 GFAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)CC(=O)N1CCCC1 47793142 MLTWWDIZPCAEIY-UHFFFAOYSA-N 388.493 2.673 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCN(c3nccs3)CC2)c1 12810660 YNUCGEQQDQNXMT-UHFFFAOYSA-N 382.283 2.877 0 40 GFAB CC[C@H](c1nnc(SCC(=O)N2CCOCC2)n1C1CCCCC1)N(C)C 3445677 RSGZFHMMRDWYCK-MRXNPFEDSA-N 395.573 2.747 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)c1 3599203 OEZNYDDMIAJGTE-UHFFFAOYSA-N 383.433 2.959 0 40 GFAB COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCCN(C)C)cc1 13583225 FTBIYXJBYZDNNW-PGMHBOJBSA-N 395.503 2.842 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc(F)cc1F 4165996 BDLFUZBITQEZED-UHFFFAOYSA-N 399.332 2.638 0 40 GFAB COc1cc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)cc(OC)c1O 4519952 YHDHQIFQCZLMHJ-CQSZACIVSA-N 381.384 2.741 0 40 GFAB Cc1ccc(-n2c(C)c(C)c3c(=N)n(CCCN4CCOCC4)cnc32)cc1 6672894 VCSVSTXWWZIKMD-UHFFFAOYSA-N 379.508 2.954 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)N1CCCCCC1 25147361 JQTRUVLEZRLPRJ-UHFFFAOYSA-N 376.526 2.759 0 40 GFAB COc1cccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)c1 6810948 GMTPOZIMXDHDDO-QGZVFWFLSA-N 377.437 2.664 0 40 GFAB COC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccc2O1 6810846 ISSNFESSENVUQU-QGZVFWFLSA-N 375.808 2.994 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C 6981600 YCBQOAOLKMPFFL-UHFFFAOYSA-N 397.475 2.973 0 40 GFAB O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCOC[C@@H]1c1ncon1 95981434 JYYDRJWHYWYNLG-CQSZACIVSA-N 394.218 2.776 0 40 GFAB Cc1cccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 67317007 GVKOUELYBDQGGQ-UHFFFAOYSA-N 383.477 2.790 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)c1 15905426 PHKDZDGCQXIOBV-MDPIYQRISA-N 378.428 2.817 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(N2CCCC2=O)cc1 8328739 LKEVCIYTOASFLZ-UHFFFAOYSA-N 391.471 2.799 0 40 GFAB CCCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2ccccc2c1=O 8429572 SURYDBKFGJKBLN-SFHVURJKSA-N 393.443 2.622 0 40 GFAB O=C(NC[C@H](O)CN1CCCC1=O)c1cc(-c2ccccc2)nc2ccccc12 72311676 OHJVNFFLDZWLPU-KRWDZBQOSA-N 389.455 2.615 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1[C@@H]1CCS(=O)(=O)C1 8917268 YZJPDLGSIDFTQB-RDTXWAMCSA-N 395.436 2.525 0 40 GFAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N(C)c1ccccc1 19482809 RSFRRTMKNPSQGO-HNNXBMFYSA-N 384.432 2.727 0 40 GFAB COCC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1Cl 71284018 GLXLCMLDSRBLJU-UHFFFAOYSA-N 376.796 2.804 0 40 GFAB COc1ccc2nc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2c1 9913501 SJNWATXDASAXKP-WCFLWFBJSA-N 385.445 2.583 0 40 GFAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1 89496771 BUUAQJMFPFHUED-AWEZNQCLSA-N 387.432 2.916 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)/C=C/c4ccco4)CC3)nc(C)n2)n1 56903908 CHLKRTYQNZJKCB-VOTSOKGWSA-N 392.463 2.543 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C[C@H](C)O1 27969957 YDAYZUZNIGQXMB-STQMWFEESA-N 378.270 2.943 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 408560430 OYTLBIVABMIVAF-CYBMUJFWSA-N 388.917 2.522 0 40 GFAB CCC(=O)N1CCC[C@H](C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)C1 551306059 ZSLHPSYAJVYPFE-HNNXBMFYSA-N 379.451 2.652 0 40 GFAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 306128073 GPHRUCIVJDEBJQ-TZIWHRDSSA-N 383.517 2.750 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2cc[nH]n2)C1 72391465 OQJVYYFAAZLFFM-QFIPXVFZSA-N 392.434 2.776 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCCC1 33018923 JMJXFKNMINOLSZ-QGZVFWFLSA-N 384.567 2.798 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc2nonc12 33538893 KPQNVNIVXIVSGB-GHXNOFRVSA-N 386.414 2.959 0 40 GFAB Fc1cccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1F 561640782 LNDDARPLBJIRPU-UHFFFAOYSA-N 384.312 2.748 0 40 GFAB Cc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1 26975060 MLBWBZHQKSQRCU-UHFFFAOYSA-N 391.512 2.625 0 40 GFAB O=C(NCCSC1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 46450710 OROFZQOBJNLHEY-UHFFFAOYSA-N 396.578 2.879 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 223001239 ZVKFNPCLZLLVEE-UHFFFAOYSA-N 395.477 2.932 0 40 GFAB COc1ccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222492204 SSYVSUBMZWSFHO-UHFFFAOYSA-N 382.869 2.674 0 40 GFAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 528970681 GSEMCCQUWHTYBW-XGRFXKQCSA-N 396.484 2.901 0 40 GFAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 223857503 SJPQVHROZYQDPU-GFCCVEGCSA-N 387.910 2.924 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)ccc21 224919041 VWZZAANXRFNFJZ-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB O=C(NC1CCN(Cc2ccccc2F)CC1)c1cnc(OCC2CC2)cn1 585081378 QYTFQVJSIWLMBT-UHFFFAOYSA-N 384.455 2.799 0 40 GFAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[C@H]2CCCN2C)c1 257266986 MFKHWHYVIUGXPA-LJQANCHMSA-N 380.492 2.599 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cnccn3)C2)ncn1 257242685 IDRZPCNLNDTQQU-OAHLLOKOSA-N 378.436 2.633 0 40 GFAB CS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCCCN2C2CCCC2)ccc1F 648524140 AAYPILMZUILXQF-QGZVFWFLSA-N 383.489 2.933 0 40 GFAB CS(=O)(=O)CC1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1 661385284 LTZRXFYUMDKIEW-UHFFFAOYSA-N 379.309 2.960 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1Cl 96025403 ZRZHJILUJVADBY-INIZCTEOSA-N 399.921 2.885 0 40 GFAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585291891 GTJUZOWEYBTOMZ-RDFMZFSFSA-N 395.492 2.748 0 40 GFAB Cc1noc(CC(=O)N2CCC3(CCC(CC(=O)N4CCCC4)CC3)CC2)n1 585101526 QPTHHAJOTYDMIU-UHFFFAOYSA-N 388.512 2.732 0 40 GFAB CCN(CC)C(=O)N1CCC2(CC1)C(=O)N(CC)C(=O)[C@H]2c1ccc(F)cc1 72346452 VWEVKDPGYZXSRI-QGZVFWFLSA-N 389.471 2.842 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1 1775986065 RZYVHJFGDXKVTB-UHFFFAOYSA-N 381.476 2.980 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(OC)c1OC 106126197 QLDFWFQMTPGESQ-LSDHHAIUSA-N 379.501 2.775 0 40 GFAB CCn1c2cc(C)sc2c2cnn(CC(=O)Nc3c(C)nn(C)c3C)c(=O)c21 12142717 JQQHRQUZMKNSES-UHFFFAOYSA-N 398.492 2.730 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)s1 12259561 NZCHLVUYWADHPH-UHFFFAOYSA-N 380.495 2.529 0 40 GFAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nn2cnnc2)cc1OCC 14406005 HYCARWRGFZUCIS-UHFFFAOYSA-N 395.419 2.712 0 40 GFAB NCCn1nc([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2cccnc21 19346689 XXGLZMQMWILGQB-MRXNPFEDSA-N 397.910 2.992 0 40 GFAB CCc1nc(C)cc(N2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)n1 19523133 ZSIIJDKPCZGYBI-UHFFFAOYSA-N 380.492 2.564 0 40 GFAB COc1cccc([C@H]2CN(C(=O)CCc3c(C)n[nH]c3C)[C@@H]3CCCN[C@H]23)c1 19578910 XRQGBJQFHVCLFB-KCZVDYSFSA-N 382.508 2.714 0 40 GFAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)c1ccccc1)CC2 19711600 LCPJFODJGWISHB-IBGZPJMESA-N 393.491 2.790 0 40 GFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(C)=O)C4)nc32)cc1 19744510 QHCAIDCYPLNQSQ-QGZVFWFLSA-N 394.475 2.609 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C 15269780 DEUHCXKXOPXINO-UHFFFAOYSA-N 376.478 2.614 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 252549882 RWHBIRLNJBKWOL-WKILWMFISA-N 393.513 2.539 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 3521538 DUQAMVYOTALKHW-OLZOCXBDSA-N 383.448 2.751 0 40 GFAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NCc1ccc2c(c1)OCO2 5950970 BLRWTBXZOOMASD-UHFFFAOYSA-N 383.734 2.820 0 40 GFAB O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6800774 SDBADVCLPXSTMZ-UHFFFAOYSA-N 388.474 2.910 0 40 GFAB C[C@@H](C(=O)N1CCC(c2nnc3ccc(C(C)(C)C)nn23)CC1)n1cccn1 1888879538 MOHSQOHXQMEKMR-AWEZNQCLSA-N 381.484 2.586 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3ccn4nccc4n3)CC2)nc(C2CC2)n1 1888879608 CSBGFOHGKDRPGZ-UHFFFAOYSA-N 389.385 2.742 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 1848354162 ZGARCHDSLMCGND-JOCHJYFZSA-N 393.531 2.860 0 40 GFAB Cc1nc2sccc2c(=O)n1CCNC(=O)Cc1c(F)cccc1Cl 245015222 LRXYYZJCPARGIU-UHFFFAOYSA-N 379.844 2.918 0 40 GFAB CC(=O)N1CCN(Cc2ccccc2Cl)C[C@H](Cc2cn3ccnc3cn2)C1 2037838554 NLHQSLTWOPRPQD-KRWDZBQOSA-N 397.910 2.906 0 40 GFAB COc1ccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)cc1 5168434 AJTVDIVJLCMUNW-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CC(C)C 10233387 YPMJVTFPYSECIO-UHFFFAOYSA-N 393.491 2.747 0 40 GFAB CCn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2ccccc21 100290793 WCPNFPXCEOSLGP-ZPHPHTNESA-N 390.490 2.818 0 40 GFAB Cc1nccc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)n1 585147003 IVZJABNJAJKVJB-UHFFFAOYSA-N 381.885 2.979 0 40 GFAB C[C@H]1CN(c2nc3ccccc3c(=O)n2C)CCN1Cc1cc(F)cc(F)c1 2298117643 ZZNAMXLURRGEHQ-AWEZNQCLSA-N 384.430 2.922 0 40 GFAB O=C(c1ccccc1F)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 11612469 OMXAVJBEFFXPEE-UHFFFAOYSA-N 381.407 2.553 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](C(=O)O)c3ccccc3)c(C)c12 2124610 JFMINVBDFYTFLG-FQEVSTJZSA-N 395.411 2.903 0 40 GFAB biogenic O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CC[C@]2(O)CCCC[C@@H]2C1 2109147 RFGXLRUPPXILRS-IQMFZBJNSA-N 397.471 2.814 0 40 GFAB biogenic COc1ccc(CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1OC 32721698 OYKSKTKZQLBEKK-UHFFFAOYSA-N 379.416 2.850 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1OC 102870609 OXRDEAYKXQORJN-NVXWUHKLSA-N 386.791 2.650 0 40 GFAB CC[C@@H](NC(=O)CCc1c(C)nc2[nH]c(C)nn2c1=O)c1ccc(Cl)cc1 102868560 KJMFRCCJDPNOBU-MRXNPFEDSA-N 387.871 2.888 0 40 GFAB Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N 687629 HGUCWUORKRHUMU-UHFFFAOYSA-N 387.440 2.749 0 40 GFAB CC(=O)Nc1ccc(CCNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1 103418304 LOBGYEQXDPEHLY-OAQYLSRUSA-N 393.487 2.999 0 40 GFAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC(=O)c1cccs1 956316 HQUCBMSWOANESG-OAHLLOKOSA-N 388.470 2.933 0 40 GFAB CCn1c(O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 1310262 UEXPVKAKEZKMCU-UHFFFAOYSA-N 382.416 2.674 0 40 GFAB COc1cc(OC)c([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2121626 UCESPARULGXJHG-MGPUTAFESA-N 382.416 2.882 0 40 GFAB biogenic,in-vitro Cc1c(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc2c3c(c(=O)oc12)CCCC3 2145929 WZACOJCZXJKVRA-SFHVURJKSA-N 387.432 2.584 0 40 GFAB biogenic COc1cc2c(cc1OC)CN(C(=O)c1cc(OC)c(OC)c(OC)c1)CC2 3136090 DZARFJLMKXMFPZ-UHFFFAOYSA-N 387.432 2.928 0 40 GFAB Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 3413894 MZEHHDHNBJCWQO-UHFFFAOYSA-N 397.547 2.967 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1C 3483793 UVUVUJORWSWNOU-UHFFFAOYSA-N 392.839 2.935 0 40 GFAB COc1cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc(OC)c1OC 3656915 KPEFJSRRXNKIOQ-MLPAPPSSSA-N 383.356 2.786 0 40 GFAB COc1cccc(N2C(=O)C[C@H](NNc3ncc(Cl)cc3Cl)C2=O)c1 4594117 LHLRTCQPWMBQJA-ZDUSSCGKSA-N 381.219 2.646 0 40 GFAB COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 4775583 HPXTYPDFDRIZKY-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Cl 5240645 MQCSDSZBWWUHTC-ZDUSSCGKSA-N 390.823 2.772 0 40 GFAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cnccn3)c2)cc1 5602568 RWVNXSDVHJCNLV-UHFFFAOYSA-N 384.417 2.538 0 40 GFAB COc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=N)NC3=O)c2)cc1 5675916 JQQFOMJYZSSSDX-GDNBJRDFSA-N 390.442 2.602 0 40 GFAB Cc1ccc(NC(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 6085942 SSLOZSDFXZAIII-UHFFFAOYSA-N 393.440 2.799 0 40 GFAB COc1ccc(-c2cn3c(C)c(C(=O)N4CCC(C(N)=O)CC4)sc3n2)cc1 6309189 KPJFXCIPOPPVEF-UHFFFAOYSA-N 398.488 2.717 0 40 GFAB Cc1nn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N(C)C 6586508 WTLONIZPKVIBKU-UHFFFAOYSA-N 392.525 2.686 0 40 GFAB O=C1S/C(=C\c2cccs2)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 6660618 QLJLUKGQCJUVRO-GVIGZQTCSA-N 380.491 2.548 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=S 8092007 OIKLZLGOPLKCQR-JYRVWZFOSA-N 376.821 2.831 0 40 GFAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCCCO2 8328827 RDGHVOHHEAKWSI-UHFFFAOYSA-N 375.454 2.680 0 40 GFAB CCCN(C(=O)c1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8473566 ARBNZOFDJXVBFU-UHFFFAOYSA-N 392.459 2.532 0 40 GFAB CCOC(=O)c1sc2nc(C)nc(NCCCN3CCCC3=O)c2c1C 9057987 NFVCCTPRBFLPTM-UHFFFAOYSA-N 376.482 2.909 0 40 GFAB CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccccn1 9060781 DNVIRSXBPZDSST-UHFFFAOYSA-N 381.542 2.662 0 40 GFAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 9418472 MPFJWUOFCHWNER-ROUUACIJSA-N 388.514 2.970 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 9512431 XZKHBJDRKLPZQL-UHFFFAOYSA-N 391.427 2.683 0 40 GFAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 9544325 MFXNKXDPHNOGJD-UHFFFAOYSA-N 393.472 2.749 0 40 GFAB OCCNc1nc(Nc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 9573622 JUMIMRATUUOUIO-UHFFFAOYSA-N 390.403 2.692 0 40 GFAB Cc1ccc(=O)n(CC2(O)CCN(Cc3[nH]c4ccc(F)cc4c3C)CC2)n1 12187760 XHPVJQZZYQNWIS-UHFFFAOYSA-N 384.455 2.508 0 40 GFAB COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 12758706 ZCRLZEKAAABLMX-UHFFFAOYSA-N 396.534 2.578 0 40 GFAB COc1ccc(-c2noc(Cn3nnc(-c4cccc(F)c4)n3)n2)c(OC)c1 12876214 XHKITJUDVXRPCX-UHFFFAOYSA-N 382.355 2.595 0 40 GFAB CN(C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccccc1 12903028 ANKCZDJWWMRUPN-UHFFFAOYSA-N 381.461 2.823 0 40 GFAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2nnc(CC(C)C)s2)no1 12946258 ZLIBOXGGKKUAKQ-JTQLQIEISA-N 383.499 2.732 0 40 GFAB COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 13008423 UJKAERHWUQEAHW-UHFFFAOYSA-N 382.445 2.539 0 40 GFAB CN(C)C(=O)[C@@H](Sc1nnc(Cc2ccccc2F)n1N)c1ccccc1 14245273 MLONLXHMKXKQMM-KRWDZBQOSA-N 385.468 2.643 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 14670702 NQISTQRBMPLUQU-HZSPNIEDSA-N 375.498 2.704 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2ccccc2oc1=O 15470548 KXVUONQGHPOFEG-UHFFFAOYSA-N 390.317 2.921 0 40 GFAB Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C 16636520 XUZJZHYLNXXIMI-MRXNPFEDSA-N 397.475 2.972 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 16681834 NCKPWICSXVZUEU-UHFFFAOYSA-N 398.868 2.908 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@]3(C)C2=O)cc1 19169293 HADLUEXZIMKMLH-DXIQSLLYSA-N 377.444 2.621 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)Cc2ccc(C)cc2)C3)CC1 19209875 DBKZNSCDDIDBBP-UHFFFAOYSA-N 392.503 2.638 0 40 GFAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCc2ccno2)cc(=O)[nH]1 19240972 OYKXDWTXGJWEPQ-GOSISDBHSA-N 391.431 2.580 0 40 GFAB Cc1ncc(-c2ccccn2)c(CCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 19286911 UQZHGJVCQHCUGQ-MRXNPFEDSA-N 387.443 2.632 0 40 GFAB CC1CCN([C@@H](C)CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 19496778 QLWVPDSDGXFTOR-YWJTXRPPSA-N 385.556 2.810 0 40 GFAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)c3csc(C)c3)c3ncccc23)C1 19572008 XBUDPHGSRXCUQS-HNNXBMFYSA-N 397.504 2.567 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](c2nc3ccccc3n2C)C1 19715544 IQHQSMBMVKZEJT-INIZCTEOSA-N 380.496 2.742 0 40 GFAB COc1ccc(-c2c/c(=N\CC(=O)NCC(=O)O)c3cc(C)c(C)cc3o2)cc1 19793975 OQEAJQGMRQYAOQ-PTGBLXJZSA-N 394.427 2.827 0 40 GFAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(Cl)cc3)cnn12 19817049 VECZOONZZLQCPB-UHFFFAOYSA-N 388.811 2.727 0 40 GFAB COc1ccccc1NC(=O)C(=O)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 20059999 YWVYJLXJWXUIBT-DIFFPNOSSA-N 399.369 2.663 0 40 GFAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 20799925 LZJPQZZAALHJMS-AWEZNQCLSA-N 394.479 2.676 0 40 GFAB Cc1ccc(-c2csc(NC(=O)C3CCN(S(C)(=O)=O)CC3)n2)s1 21896989 VBQBDVLERXIAFE-UHFFFAOYSA-N 385.536 2.790 0 40 GFAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(C)CC3)c(O)n2n1 22577860 MXRFPEPRKYURSD-HNNXBMFYSA-N 375.473 2.535 0 40 GFAB COc1cccc(NC(=O)NC[C@@H](c2ccsc2)N2CCOCC2)c1OC 22679321 LOJYNPZTMRAYNW-INIZCTEOSA-N 391.493 2.960 0 40 GFAB CCOC(=O)C1CCN([C@@H](c2cccnc2)c2c(O)cc(C)n(CC)c2=O)CC1 22697434 XCVXWZXBYNPSPK-FQEVSTJZSA-N 399.491 2.642 0 40 GFAB COc1ccccc1CCNC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl 23078427 TUQNJVRSCAKTJV-MRXNPFEDSA-N 375.856 2.807 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1cccc2ccccc12 23389404 LIOBKBUVKPXBRX-QGZVFWFLSA-N 389.455 2.948 0 40 GFAB COc1ccc(SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 23702900 SAMVEULYELUMGJ-IBGZPJMESA-N 386.517 2.805 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCn2c(C)nc3ccccc32)c1 24476784 ZATNIXMSMDEDBC-UHFFFAOYSA-N 393.447 2.692 0 40 GFAB Cc1ccccc1N1C(=O)C[C@H](N(C)CC(=O)Nc2ccccc2Cl)C1=O 24844189 ULVNSXPJYROHNR-KRWDZBQOSA-N 385.851 2.851 0 40 GFAB O=C(OCc1nc(-c2ccccc2)no1)C1=NN(c2ccccc2)C(=O)CC1 25049433 GVTHMICDBDOGQH-UHFFFAOYSA-N 376.372 2.963 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2cnn(C)c2)nn1-c1ccccc1C(F)(F)F 25306910 VBPXXPGZBMMTRB-UHFFFAOYSA-N 377.326 2.546 0 40 GFAB O=C(CSc1n[nH]c(=O)n1-c1ccncc1)Nc1c(Cl)cccc1Cl 27643504 NYYVMYHMHVIBIB-UHFFFAOYSA-N 396.259 2.993 0 40 GFAB COC(=O)c1oc(CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1C 31609185 XEBRYGXMGXCGJC-GOSISDBHSA-N 378.331 2.620 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 33019422 MHNCWRPEZMMZPV-INIZCTEOSA-N 378.425 2.535 0 40 GFAB COCCNC(=O)Nc1nnc(SCc2cc(OC)cc(OC)c2)s1 35590168 PEDBUGFXIGUDNR-UHFFFAOYSA-N 384.483 2.616 0 40 GFAB Cc1c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cnn1C(F)F 36614508 RZWSIJGSCFFCKZ-UHFFFAOYSA-N 390.843 2.751 0 40 GFAB Cc1cccc(CS(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c1 36700347 RLOKSRPGDHYAMI-NRFANRHFSA-N 388.533 2.878 0 40 GFAB CN1C(=O)[C@](O)(CC(=O)[C@H]2CCc3ccccc3C2=O)c2cc(Cl)ccc21 37501334 JPARBIBNMJGEIY-VFNWGFHPSA-N 383.831 2.909 0 40 GFAB CCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1ccc(C)cc1 39985844 LUQAQYVMAAVQIH-UHFFFAOYSA-N 389.477 2.603 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)/C=C/c1nccs1 40150792 XTPUIXYJSUYBIW-SNAWJCMRSA-N 380.267 2.982 0 40 GFAB CCN(C(C)=O)c1nc(CN2CCN(C(=O)c3ccsc3)CC2)cs1 48234777 IMDMZVZQQJYDHB-UHFFFAOYSA-N 378.523 2.535 0 40 GFAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1cnn(-c2ccccc2)n1 49511112 HZJDXVAJEFKVKF-UHFFFAOYSA-N 387.443 2.814 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)CCC(=O)N3CCc4sccc4C3)C2)n1 54122315 MTHCBMKDXHUUIZ-HNNXBMFYSA-N 388.493 2.511 0 40 GFAB COc1cc(NC(=O)CNC(C)(C)C)c(C(=O)N2CCCCC2)cc1OC 58158366 XBKUUQICKGRFRF-UHFFFAOYSA-N 377.485 2.657 0 40 GFAB CCN(Cc1ccc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1)C(C)C 60350582 CLYFVBGIBNCGAN-IBGZPJMESA-N 378.538 2.709 0 40 GFAB COc1cccc(CC(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 62007405 DIOGMGKXXCTSTD-UHFFFAOYSA-N 376.460 2.977 0 40 GFAB O=C(COc1ccccc1F)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1 62022952 XEACFWNTCLNCKT-CYBMUJFWSA-N 396.378 2.747 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(C)c2C)c(=O)c1=O 67256717 QTZCNLMJXKZQMZ-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB Cc1ccn2ncc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)c2n1 68718568 TWLYHMBRMGQCNG-UHFFFAOYSA-N 387.846 2.788 0 40 GFAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CSc1nc(C)cc(C)n1 72324390 RXUGQYOWVQIUSZ-CQSZACIVSA-N 386.477 2.688 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358781 AGIHXMRWGLBMJO-AWEZNQCLSA-N 380.901 2.783 0 40 GFAB Cn1cc(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)ccc1=O 72362955 CYNMDLUMTIGNGF-UHFFFAOYSA-N 390.443 2.987 0 40 GFAB CC[C@](C)(CC(=O)OC)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 79001306 CYRVHEYQUSNFNS-LJQANCHMSA-N 389.477 2.786 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 85877674 TTYMAVKVNYSUIP-OAHLLOKOSA-N 395.415 2.513 0 40 GFAB biogenic C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cnc2n1CCCC2 89894551 KORJWKZEIIZAHB-INIZCTEOSA-N 395.507 2.967 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1 95482557 WXYIODIMBRCIMS-UHFFFAOYSA-N 387.505 2.620 0 40 GFAB O=C(CC1CCN(C(=O)NCCc2cccc(F)c2F)CC1)N1CCCC1 95958692 QXCPMKUCOQQESA-UHFFFAOYSA-N 379.451 2.941 0 40 GFAB COc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)cn1 96001908 QFIGIGNIRHEAOH-OAHLLOKOSA-N 382.424 2.631 0 40 GFAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1cc2cccc3c2n(c1=O)CCC3 96114993 BYBLQXVYQFTVPM-HNNXBMFYSA-N 395.411 2.610 0 40 GFAB biogenic O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CCN(c2ccccn2)CC1 96122607 GAXYQKSBQRMQNV-QGZVFWFLSA-N 377.448 2.540 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C)cc(O)n4n3)C2)cc1OC 100137847 TUUARKXWSGJBQH-HNNXBMFYSA-N 396.447 2.780 0 40 GFAB COc1cccc(Cn2[nH]cc/c2=N\C(=O)COc2ccccc2C)c1OC 101426124 SRRQPCZTLBKNAJ-FCDQGJHFSA-N 381.432 2.696 0 40 GFAB CCOc1ccccc1CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222588040 AFYWOWAZBFPRGX-UHFFFAOYSA-N 388.489 2.945 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 222978208 AOHVMKMSZDBMLK-OAHLLOKOSA-N 398.459 2.867 0 40 GFAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 223213180 PATGTSOMIXNKDN-UHFFFAOYSA-N 396.459 2.868 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(F)c2)cc1Cl 224965956 OKIGSOZENPQWOE-UHFFFAOYSA-N 391.779 2.907 0 40 GFAB CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225100050 KSMJGIJBABMAAL-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB CSc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1NC(C)=O 225146845 KOEFYZOXIVDVFJ-UHFFFAOYSA-N 394.518 2.862 0 40 GFAB CC(C)(Br)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 225594923 DAELLCGFOZTJON-UHFFFAOYSA-N 385.302 2.900 0 40 GFAB COCCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1 225899604 ZTYCAOLIWOVWBU-UHFFFAOYSA-N 397.426 2.948 0 40 GFAB CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)cc1 225923993 MQQHFDHPVDUOLA-UHFFFAOYSA-N 376.478 2.922 0 40 GFAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2c(C)noc2C)C3)cs1 248045949 QKLMSZHZAZXDQZ-CQSZACIVSA-N 379.507 2.973 0 40 GFAB COc1ccc(/C=C/c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc1OC 254875411 SYKPPRTXLZLDQA-YGNMSSQISA-N 395.440 2.788 0 40 GFAB O=C(Cc1cccnc1)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257219987 DJCCTTKBPSHBOZ-IBGZPJMESA-N 381.407 2.942 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)CC1 257276964 NVXCKJDLHQRELU-WFXMLNOXSA-N 395.507 2.902 0 40 GFAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3-c3cn4c(n3)SCC4)nc2n1 390828823 URUINCUUQBVKNA-UHFFFAOYSA-N 391.460 2.963 0 40 GFAB O=C1C(=O)N(Cc2nc(O)c3ccccc3n2)c2ccc(Br)cc21 408580977 FLSSBYMRCYWBHS-UHFFFAOYSA-N 384.189 2.827 0 40 GFAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)NC1CCCC1 408710284 VZRXITKRTPDVRW-UHFFFAOYSA-N 379.460 2.656 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2)o1 518530685 WXDKZCNPAIKXBN-INIZCTEOSA-N 391.493 2.560 0 40 GFAB CC(C)c1ccc(-n2ccnc2S(=O)(=O)Cc2nc(C3CC3)nn2C)cc1 566855995 QWRACNAMSSQPAC-UHFFFAOYSA-N 385.493 2.976 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCC[C@H](Oc3ccncn3)C2)c1 575608539 GIHLDTOLDRYJCX-ZDUSSCGKSA-N 392.253 2.931 0 40 GFAB O=S(=O)(NCc1nccnc1-c1ccsc1)c1ccc(-n2cccn2)cc1 575617965 CBZYNMJXBQNOFJ-UHFFFAOYSA-N 397.485 2.869 0 40 GFAB CO[C@@H](C)C(=O)N(Cc1cccnc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 585079649 FRTHBXYLPUHRGJ-RDJZCZTQSA-N 377.485 2.702 0 40 GFAB COc1ccc(-c2cnc3n2CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 585111248 LBEQBGNYAYCEFK-UHFFFAOYSA-N 391.427 2.986 0 40 GFAB O=C(COc1ccc(F)cc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111287 MSNXDBZBXRWIJC-FQEVSTJZSA-N 395.434 2.880 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 1565542970 PKXZSRDZXNKIEC-FQEVSTJZSA-N 397.500 2.832 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3CC[C@]3(Nc3ccc(C(F)(F)F)cn3)C2)n(C)n1 1614423135 FEHVGVLRQDDSAW-DYVFJYSZSA-N 379.386 2.859 0 40 GFAB O=C1CN2CCN(C(=O)C3CC3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594505 GVABKTALOZMGRH-IBGZPJMESA-N 391.471 2.607 0 40 GFAB O=C(CCC(F)(F)F)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037988381 CFDWSHYJAPXEFZ-KRWDZBQOSA-N 388.361 2.893 0 40 GFAB CCn1cc([C@@H](C)NC(=O)c2cc3ncc(Br)cn3n2)c(C)n1 2792518 ICYZCGQEQQLQJN-SECBINFHSA-N 377.246 2.508 0 40 GFAB COc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1OC 100921519 FWGYURUXFDLZLW-UHFFFAOYSA-N 380.400 2.923 0 40 GFAB CN(C)CCCN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 32096366 UNPGZVMZRLKVBU-GOSISDBHSA-N 378.904 2.516 0 40 GFAB CCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1OCC(=O)O 6965029 PAJGDGQPKBQMEF-JMIUGGIZSA-N 376.796 2.966 0 40 GFAB Cc1c(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 11866836 FNADEWROTREHBE-GUYCJALGSA-N 399.443 2.823 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)c1C 8025134 YCOBCWQPRYAIFN-UHFFFAOYSA-N 387.505 2.637 0 40 GFAB COc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)C(F)(F)F)c1 8412429 XKEVEVYSRLWNRK-UHFFFAOYSA-N 396.321 2.992 0 40 GFAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 8623388 UYLJAQHEKOTYGP-SFHVURJKSA-N 391.880 2.827 0 40 GFAB O=C(Nc1nc(S(=O)(=O)Cc2ccccc2)ns1)c1ccccc1F 8769800 KMYLQSIQVWBRIT-UHFFFAOYSA-N 377.422 2.903 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2c1=O 8806780 QBGATFOBPAMMAA-VBQJREDUSA-N 385.464 2.657 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10314199 QVLWLWDOUXLKAY-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10691497 LHPQRWFSFMPVII-UHFFFAOYSA-N 379.309 2.671 0 40 GFAB CCCc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)[nH]n1 32905962 HJMAFEPYOQQPIR-UHFFFAOYSA-N 398.463 2.830 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102768589 GAZBRVICKGDTDV-IAGOWNOFSA-N 398.459 2.551 0 40 GFAB CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCN(C)C)c1=O 12016382 XTTJIJDFNRQIKL-UHFFFAOYSA-N 390.487 2.889 0 40 GFAB COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 654155 CVHPMRZQLBSYHP-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB Cn1ncc(I)c1C(=O)NC1C2CC3CC(C2)CC1C3 2765900 IOMGCAAJGZVBBK-UHFFFAOYSA-N 385.249 2.579 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1(c2ccccc2)CCOCC1 42022944 JKIVSJQGHZZRBA-QFIPXVFZSA-N 394.515 2.752 0 40 GFAB COC(=O)c1cc(NC(=O)c2cc3ccccc3c(=O)o2)cc(C(=O)OC)c1 995117 LPOQZEGKYIYMAS-UHFFFAOYSA-N 381.340 2.619 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1nc2ncccn2n1 924021 YOPCNULMQMEPCD-UHFFFAOYSA-N 381.827 2.892 0 40 GFAB NC(=O)[C@H](c1ccccc1)N1CCN(c2ncnc3c2oc2ccccc23)CC1 23617000 GPQIQXVMNFPGSA-IBGZPJMESA-N 387.443 2.725 0 40 GFAB COC(=O)c1oc(CN2C(=O)N[C@](C)(c3c(F)cccc3F)C2=O)cc1C 47355861 IQWYFSCLOMSZMN-GOSISDBHSA-N 378.331 2.620 0 40 GFAB CN(CC(=O)NCc1ccco1)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 8343677 SLASRUYJDGKOBB-UHFFFAOYSA-N 382.460 2.896 0 40 GFAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCO)CC2)cc1 25637805 XJMUGBUFNBGHFW-UHFFFAOYSA-N 390.487 2.598 0 40 GFAB COc1ccc(OCCN(C)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 44246796 MDWBMICIBKBSDA-UHFFFAOYSA-N 382.424 2.522 0 40 GFAB Cc1cc2nc(SCC(=O)NCCc3ccc(Cl)cc3)[nH]c(=O)c2[nH]1 57521029 JQHMCVCPKCTIEX-UHFFFAOYSA-N 376.869 2.664 0 40 GFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 44572906 MYFSTXFHHHKBGB-UHFFFAOYSA-N 391.475 2.819 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 58173763 DSDSXJLZGBPVRK-CYBMUJFWSA-N 394.522 2.603 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 58225552 HDUBVZIPCWTLSI-SNVBAGLBSA-N 375.812 2.582 0 40 GFAB C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](CNS(C)(=O)=O)C1 58406609 WSFUKHIVBRCTJR-CHWSQXEVSA-N 380.432 2.907 0 40 GFAB COc1cccc(OC)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 3395033 RYLBSTZGGQEGHR-LBPRGKRZSA-N 387.388 2.659 0 40 GFAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC[C@H](O)C2)cc1 58754187 AXQULSBJGPNGCV-UGKGYDQZSA-N 393.487 2.830 0 40 GFAB Cc1ccc2c(COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc(=O)oc2c1C 3458160 MJRJAURTSRAMPJ-QRWLVFNGSA-N 387.457 2.907 0 40 GFAB CC(=O)N1CCO[C@]2(CCCN(CC3CCN(Cc4ccccc4)CC3)C2)C1 63527700 AWVHDRAHUWBPBH-QHCPKHFHSA-N 385.552 2.612 0 40 GFAB COc1cc(NC(=O)CSc2nnc(C3CC3)n2C)c(Cl)cc1C(=O)O 13273168 JBRJXPQDLPIKGI-UHFFFAOYSA-N 396.856 2.784 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCCN(Cc2ccccc2)CC1 17822090 LFQYKHCJMWQHQR-UHFFFAOYSA-N 390.487 2.590 0 40 GFAB COc1ccc(CCNC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 6476172 MYRGUGKPPUVKOO-UHFFFAOYSA-N 381.461 2.670 0 40 GFAB CCn1nc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc2c1=O 5577411 VBDUCSMDAKWWFL-UHFFFAOYSA-N 383.404 2.695 0 40 GFAB Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6624165 BTTNSQRWSRVNIM-UHFFFAOYSA-N 399.443 2.873 0 40 GFAB biogenic CCc1ccc(-c2noc(CSc3n[nH]c(=O)n3CCCOC)n2)cc1 7503402 XSLYPXOXCPQPKP-UHFFFAOYSA-N 375.454 2.513 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2O1 7826712 UWHOOWJMWFCVER-HNNXBMFYSA-N 380.322 2.739 0 40 GFAB CN(CC(=O)Nc1ccc(OC(F)F)cc1)C[C@@H]1COc2ccccc2O1 16629152 QMAOMDSVKSTDSE-OAHLLOKOSA-N 378.375 2.998 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)O)c12 8278821 KSWUFBUPGXIKIW-CYBMUJFWSA-N 389.408 2.604 0 40 GFAB CC(C)n1nnc(-c2ccc(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)cc2)n1 96343874 STNZFIIMNWEGQU-RTBURBONSA-N 382.512 2.915 0 40 GFAB COc1ccc(C(=O)NCC(=O)NCc2ccc3cc(OC)ccc3c2)cc1 9873804 UTYDIFJZLIAISW-UHFFFAOYSA-N 378.428 2.903 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cc2cccc(F)c2)cc1 22227482 KIXBZBDAYBDDMD-UHFFFAOYSA-N 392.496 2.758 0 40 GFAB Cc1nc(C)c(-c2nnc(SCC(=O)NC3CCN(C4CC4)CC3)o2)s1 97101309 XOGIDVKMIPZSHW-UHFFFAOYSA-N 393.538 2.645 0 40 GFAB CCOC(=O)[C@@H](C)NC(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197472 RLURAECSUNYNCQ-CYBMUJFWSA-N 387.440 2.542 0 40 GFAB CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CCS(=O)(=O)C(C)C 95432469 BQXXREGSJQSKGO-XLIONFOSSA-N 381.586 2.746 0 40 GFAB c1ccc(-n2nnnc2SC[C@@H]2Cn3c(nnc3-c3cccnc3)S2)cc1 95465675 FXIKVGUOTCHBNE-AWEZNQCLSA-N 394.489 2.582 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2SC)ccc1C 408626266 VPKNDNNLJGMQMK-UHFFFAOYSA-N 394.518 2.894 0 40 GFAB O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1CN(Cc3cccs3)C[C@H]1C2 306140049 UIFQRKLAPBZBPY-YOEHRIQHSA-N 398.532 2.597 0 40 GFAB CCc1nnc([C@@H](C)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)o1 95956615 GJPISNUZILBTJF-OAHLLOKOSA-N 382.468 2.869 0 40 GFAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 26780362 OZCGWCFJTCQSRV-FQEVSTJZSA-N 392.584 2.750 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1C 408627065 XUEKBQYSPYGPTN-LBPRGKRZSA-N 398.431 2.977 0 40 GFAB O=C(c1cccs1)N1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306142809 XKMOHBGBVFTCFU-HXUWFJFHSA-N 378.457 2.554 0 40 GFAB O=C(C[C@H]1Sc2cc(C(=O)O)ccc2NC1=O)Nc1ccc2c(c1)OCO2 61720618 LLKMYTVPJSPIQP-OAHLLOKOSA-N 386.385 2.555 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1c2ccccc2CC[C@H]1C 32856187 ZNNYEHLCMZOZFQ-FOIQADDNSA-N 398.459 2.945 0 40 GFAB CC(=O)N1CCN(c2cccc(NC(=O)c3ccnc4ccncc34)c2)CC1 507177919 SWVJWIVENJQCCM-UHFFFAOYSA-N 375.432 2.551 0 40 GFAB CCn1c(=O)n(CCC(=O)N[C@H](CC(=O)OC)c2ccccc2)c2ccccc21 32845652 XHILFUHINONGIR-QGZVFWFLSA-N 395.459 2.634 0 40 GFAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccccc1-c1nnn(C)n1 1565524882 VZNZDDMUWZHOIL-UHFFFAOYSA-N 379.449 2.939 0 40 GFAB CN(Cc1ccc2ccccc2c1)C(=O)Nc1cnc(N2CCNCC2)nc1 565822189 GRAOSECAPFGXOO-UHFFFAOYSA-N 376.464 2.703 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223024938 AYYDEMALMWZEIT-UXHICEINSA-N 393.516 2.945 0 40 GFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225679664 YFLBRXYQSODQQR-ZDUSSCGKSA-N 376.503 2.900 0 40 GFAB COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)N(C)C 42631289 LXMIBVUSEYOTNU-JNAXZKDPSA-N 394.537 2.890 0 40 GFAB CN([C@@H](Cc1cccc(Br)c1)C(=O)O)S(=O)(=O)c1ccccc1 225159115 ZOSNYQHKGKBLOX-HNNXBMFYSA-N 398.278 2.766 0 40 GFAB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224902099 CEPYWKQYJJBASE-UHFFFAOYSA-N 396.852 2.910 0 40 GFAB COC(=O)c1ccc(C(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)cc1 77171653 AXZADKYIDBHWNR-HXUWFJFHSA-N 379.460 2.998 0 40 GFAB CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCC(C)C)[C@H]2CC1 96145827 JPYLZAFEBINQCY-IRXDYDNUSA-N 394.537 2.885 0 40 GFAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccsc3)C[C@H]12 96058472 FXEJWHSMKKIATG-OALUTQOASA-N 376.547 2.926 0 40 GFAB C[C@H]1C(=O)[C@]23[C@H]4OC(C)(C)O[C@@H]2C[C@H]2C(C)(C)CC[C@@H](O)[C@@]2(C)[C@H]3[C@@H](O)C[C@@H]41 95100263 MDODVBXGWQIKBY-LJUIRNMNSA-N 392.536 2.916 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2n[nH]c(CCc3ccccc3)n2)c1C 96117755 ZOMQHGRSJCNGKV-UHFFFAOYSA-N 381.436 2.964 0 40 GFAB Nc1cccc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2ccccc2)c1 255189354 PGOWVLPAFPPLAV-UHFFFAOYSA-N 388.470 2.853 0 40 GFAB Cc1nc([C@]2(C)CCCN(C(=O)c3cccc(F)c3)C2)nc2c1CC(=O)N2C 257315096 UZWZIDOWAYIKHX-OAQYLSRUSA-N 382.439 2.637 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CN3CCCCC3)CCO2)n1 257200198 ACJGSFXDRBJHDY-HXUWFJFHSA-N 398.507 2.993 0 40 GFAB COCc1ccc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)cc1 257236015 HAMOVYGHHMBBMN-VFNWGFHPSA-N 399.447 2.643 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)O2 251257977 WCWYCTAAZYDYPP-FZKQIMNGSA-N 392.452 2.539 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)Nc1ccc2c(c1)OCO2 253400647 LMWXHQVJXFCMNA-AWEZNQCLSA-N 375.450 2.920 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2c(C)n[nH]c2C)CC1 257342958 ZQTLZKFHDLAOKZ-JBYIUTFZSA-N 397.523 2.764 0 40 GFAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C(=O)O)c2ccccc21 656645475 ONJGAQFDPPOCMX-MRXNPFEDSA-N 391.493 2.923 0 40 GFAB CN1CC[C@H](C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c2ccccc21 676808570 PLFDAFHSXAYTLN-ZDUSSCGKSA-N 381.461 2.799 0 40 GFAB O=C(CCNC(=O)OCC(F)(F)F)OCc1cc(Cl)cc2c1OCOC2 52354122 XZPXFFJBUBAYKB-UHFFFAOYSA-N 397.733 2.928 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 5126934 BWTOROKRAXDBLH-UHFFFAOYSA-N 388.898 2.700 0 40 GFAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 5375417 GUYPPERBQNMSSI-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB O=C1N[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5525116 FVUGRJYVDVXNIE-IOASZLSFSA-N 399.756 2.839 0 40 GFAB CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)Cc1n[nH]c2c1CCCC2 12147148 VCUAVJREWRTRAK-UHFFFAOYSA-N 382.508 2.922 0 40 GFAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCN(c2ncccn2)CC1 12797914 LDOTVZAAOVFKKX-UHFFFAOYSA-N 397.460 2.654 0 40 GFAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677527 YASRTFBUUUSFPB-NSHDSACASA-N 391.320 2.814 0 40 GFAB NS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1Cl 14093663 BCCFLENWJVOKSP-UHFFFAOYSA-N 376.865 2.917 0 40 GFAB COc1cc(C(=O)Oc2cc(C)nn2-c2nc(C)cc(C)n2)cc(OC)c1OC 14608449 IFUCOIRIDZWMGY-UHFFFAOYSA-N 398.419 2.833 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC)cc2)cc1 16161738 XTXHFVGWPVCMNC-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OC 16681784 IUZYEAXHCPBXEW-OAHLLOKOSA-N 390.505 2.745 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)CC3CCCCC3)C2)c2cccnc21 19021694 RDXYTRLCBJWQQW-SFHVURJKSA-N 397.523 2.854 0 40 GFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(CC(=O)NC4CC4)C3)cc2N1 19520802 LDPQKVOLCWPZKP-YWPYICTPSA-N 385.434 2.649 0 40 GFAB CCN(CC)C(=O)CN1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 19706531 WIJYCECJBYZUHR-IBGZPJMESA-N 399.583 2.995 0 40 GFAB O=C(c1cc[nH]n1)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2)CC1 19746634 WEYDPUQTGKXEJY-HXUWFJFHSA-N 396.491 2.722 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 19946470 RRJKPYDBALLIDU-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1O 8477291 CFHADNWSOKREFD-KPKJPENVSA-N 378.812 2.849 0 40 GFAB O=C(Cc1ccccc1F)N1CCC[C@H]1Cn1nc2c(cc1=O)CCCCC2 12084894 ZCSKNFWQIZXIFD-SFHVURJKSA-N 383.467 2.885 0 40 GFAB COc1cccc(CC(=O)NCCN2CCC(O)(c3ccc(C)cc3)CC2)c1 12326363 MJTHUJOYIUDHJF-UHFFFAOYSA-N 382.504 2.646 0 40 GFAB COc1ccc(CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 33618165 DMLILDDNFUWDAL-UHFFFAOYSA-N 386.492 2.653 0 40 GFAB CC(C)(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 5702565 GFEYNLJZJPLJPR-UHFFFAOYSA-N 385.555 2.653 0 40 GFAB Cc1nnc2c(N3CC[C@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@@H]43)nccn12 1889149305 MAMYVVNXJMIYQO-JSGCOSHPSA-N 389.385 2.562 0 40 GFAB CC(=O)N1CCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)C[C@H]1c1ccccc1 1848354866 ZTPKMXFHZOXYSC-NRFANRHFSA-N 391.475 2.715 0 40 GFAB COc1cc(N(C2CC2)C2CCN(S(=O)(=O)C3CCCCC3)CC2)ncn1 1776009781 QFJAIHZFRIANAT-UHFFFAOYSA-N 394.541 2.581 0 40 GFAB CCn1cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)c(C)n1 2037908903 FOSXZYKCNQAEPO-FQEVSTJZSA-N 375.444 2.787 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)/C=C\c3ccc(OC)c(OC)c3)CC2=O)c1 4497111 JPXCYANODPUTNO-SIJIIQCFSA-N 396.443 2.647 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)c3ccccc3Br)CC2=O)cc1 5195333 OVDGMGBEAVBYRM-GFCCVEGCSA-N 389.249 2.993 0 40 GFAB CCCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2)c(-n2nc(C)cc2C)n1 5254697 BDIGBIJQJHRBTJ-UHFFFAOYSA-N 379.464 2.945 0 40 GFAB CCOC(=O)C(=CN=c1ccc(OCc2ccccc2)c(C)[nH]1)C(=O)OCC 1857780963 ULBAHYOBGRGFCP-UHFFFAOYSA-N 384.432 2.813 0 40 GFAB Cn1nc(-c2ccccn2)cc1CNS(=O)(=O)c1ccc2c(c1)CCCC2 1775966508 ISTLBWUDTXZRGL-UHFFFAOYSA-N 382.489 2.839 0 40 GFAB COc1cccc(CSc2nc(C)c(CC(=O)NCc3ccco3)c(=O)[nH]2)c1 23138526 QGDJCPXUGIKKQP-UHFFFAOYSA-N 399.472 2.831 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C 23106650 CZNNCWSKSYTFSK-CYBMUJFWSA-N 381.885 2.768 0 40 GFAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 55104118 DAJUBJXORSTMMV-UHFFFAOYSA-N 397.522 2.829 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)C[C@H](C)O1 40090558 ZZDVWMFBNBCSSQ-ROUUACIJSA-N 398.547 2.982 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@H]3C2=O)cc1 100033247 BUARZOXKKCIUSY-RTBURBONSA-N 391.431 2.544 0 40 GFAB CC1=NN(c2ccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)cc2)CC1 40145229 XKWVNVICMDQGSJ-UHFFFAOYSA-N 383.496 2.636 0 40 GFAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 2436265 ZOZNHPUOQPVUBT-DLBZAZTESA-N 391.489 2.880 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 11414793 GDHQGMOWAMTGCY-NSHDSACASA-N 377.466 2.568 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1 4713543 GUMVNQBHCHHERL-UHFFFAOYSA-N 382.397 2.993 0 40 GFAB COc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 4998202 TZNZHMCNGVYBQM-LBPRGKRZSA-N 389.433 2.793 0 40 GFAB Nc1nc(SCC(=O)NC[C@H]2CCCO2)nc2sc3c(c12)CCCC3 6108974 CQMDELPISWZJIM-SNVBAGLBSA-N 378.523 2.540 0 40 GFAB Cc1noc(C)c1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 6608550 HVCILIZPHBDIJY-UHFFFAOYSA-N 389.477 2.956 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1cccc(F)c1 6678805 OLVKOFBSUWZBJG-UHFFFAOYSA-N 399.403 2.644 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)s1 6860885 ICADWSHIXQLHOU-UHFFFAOYSA-N 385.478 2.959 0 40 GFAB Cc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(C)n1C1CC1 7226503 JSVJBXPPXYWQTJ-UHFFFAOYSA-N 381.476 2.945 0 40 GFAB O=c1c(NCc2ccncc2)c(NCc2nc(-c3ccccc3Cl)no2)c1=O 101700242 SLJZYHZHGCJBPB-UHFFFAOYSA-N 395.806 2.605 0 40 GFAB CCN1CCc2nc(NC(=O)CCCn3c(=O)oc4ccccc43)sc2C1 21294605 IVDKRGOLLNGNSF-UHFFFAOYSA-N 386.477 2.848 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 103841086 DGSADVAMZWFCMP-VEGVZZKRSA-N 381.472 2.505 0 40 GFAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 29746928 AZQLQQLPDYJKIM-ZNMIVQPWSA-N 389.525 2.715 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 32723170 MHIDCLAUFDIPMX-QZTJIDSGSA-N 385.483 2.920 0 40 GFAB CCOC(=O)c1ccc(COC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 9593168 WUUSBNFXWHUVES-UHFFFAOYSA-N 380.400 2.776 0 40 GFAB O=C(NCCNC(=O)c1ccccc1NC(=O)c1cccs1)c1ccco1 23175302 KBWVNBKFCJKKOT-UHFFFAOYSA-N 383.429 2.753 0 40 GFAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(C3CC3)cs2)c1 23135141 FTYFWGDDPGNKSP-UHFFFAOYSA-N 395.506 2.506 0 40 GFAB O=C(CSc1nnc2ccccn12)N1CCN(c2cccc(Cl)c2)CC1 7247327 ZICUSCMQCXCJMZ-UHFFFAOYSA-N 387.896 2.824 0 40 GFAB CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cnc1Cl 42748728 PHYRYUWBTXCUMY-SECBINFHSA-N 384.727 2.506 0 40 GFAB CCN(CC)C(=O)[C@@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 100870412 IQOGXBBPZPCQLA-XEZPLFJOSA-N 398.326 2.561 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230809 JPGXYGGWKXJREA-INIZCTEOSA-N 390.505 2.599 0 40 GFAB C[C@@H]1CN(C[C@H](O)COc2c(F)cc(Br)cc2F)C[C@@H](C)O1 25315669 MEDVQDWRNABAKE-FOGDFJRCSA-N 380.229 2.576 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)cc1OC 57407708 KZOPDJMHDSKOLP-UHFFFAOYSA-N 382.526 2.590 0 40 GFAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 57482361 NUOYRRMNTGTJFA-JTQLQIEISA-N 398.378 2.744 0 40 GFAB NC(=O)CSc1nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2o1 3222435 AFCZZVAHKKAHTK-UHFFFAOYSA-N 397.865 2.859 0 40 GFAB C[C@H](C(=O)OCC(=O)c1ccc(Cl)s1)N1C(=O)c2ccccc2C1=O 3256893 XPPKMDAJUTYLKD-SECBINFHSA-N 377.805 2.812 0 40 GFAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 57991886 FSLPFYJZGXMYRC-LSDHHAIUSA-N 397.479 2.716 0 40 GFAB Cc1sc2nc([C@H](C)N3CCN(c4nccs4)CC3)[nH]c(=O)c2c1C 57923269 MBQSCLLFVQEICV-NSHDSACASA-N 375.523 2.941 0 40 GFAB CCOCCCn1c(NS(=O)(=O)c2cncc(F)c2)nc2ccccc21 58355138 WDZFLRYRFHJKKA-UHFFFAOYSA-N 378.429 2.798 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 2238514 MVTXGJSSMXILRL-UHFFFAOYSA-N 390.465 2.785 0 40 GFAB CC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Br)CC1 48235068 AYPCMBBQZYQPNP-UHFFFAOYSA-N 389.677 2.608 0 40 GFAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(C)(=O)=O)c1 48361620 KJVCTEFRXAWTIP-MRXNPFEDSA-N 389.473 2.782 0 40 GFAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(=O)n(C)n1 12998386 KUIAAPCFLUNISL-UHFFFAOYSA-N 397.262 2.578 0 40 GFAB CCn1nnc2cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)ccc21 12984457 QPTYWCVCGAEZMI-AWEZNQCLSA-N 375.436 2.865 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3592928 RDVWVFHTTZIBBN-UHFFFAOYSA-N 379.844 2.932 0 40 GFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118913241 SHIBSTMRCDJXLN-ZPYARNAGSA-N 390.520 2.575 0 40 GFAB in-vitro CCc1ccc(-c2nc(CS(=O)(=O)Cc3nnnn3C3CC3)cs2)cc1 48701786 APWITFTWAGRKLH-UHFFFAOYSA-N 389.506 2.809 0 40 GFAB O=C1CN(C(=O)NCCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2N1 17057443 GNTVETZDEOLMHP-KRWDZBQOSA-N 392.459 2.739 0 40 GFAB CCCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n[nH]c1=O 7699098 WBAHAJGWRNMTNI-GFCCVEGCSA-N 378.523 2.991 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 14015829 IQXZYNGDGABLOL-QGZVFWFLSA-N 387.432 2.676 0 40 GFAB CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C(C(=O)N2CCOCC2)=C1C 7986721 MINOWIVMQMOKRU-MRXNPFEDSA-N 397.397 2.924 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2nnc(CC(C)C)s2)nn1-c1ccccc1F 14184074 LOMTYEDEQMZDFX-UHFFFAOYSA-N 387.440 2.982 0 40 GFAB Cc1cccc(OC[C@@H](O)Cn2cnc3ccc(Br)cc3c2=O)c1 14186595 NRXWGQURLQVQOW-AWEZNQCLSA-N 389.249 2.907 0 40 GFAB Cc1cc(OCC(=O)NC[C@@H](O)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 6659924 LZWHSJFFSOGTJD-QGZVFWFLSA-N 381.428 2.947 0 40 GFAB CC(C)CNC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 5689298 POACLQZNLYEYMX-UHFFFAOYSA-N 399.582 2.899 0 40 GFAB CCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 6749056 ZERNYKFBHIIUGK-UHFFFAOYSA-N 385.443 2.768 0 40 GFAB CCc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)cc3)C(C)=O)C2=O)cc1 4836830 HZVZVUYTAKMEBM-NRFANRHFSA-N 394.471 2.981 0 40 GFAB CCOc1cccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)Nc3ncnn32)c1 4987111 FLLBLHUPWKGHTC-FUHWJXTLSA-N 384.436 2.688 0 40 GFAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 18068416 YNAXBSXWYLLYMO-LLVKDONJSA-N 375.450 2.613 0 40 GFAB CCc1nnsc1C(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 9183924 HKBGVRYSGSDKFT-UHFFFAOYSA-N 394.522 2.669 0 40 GFAB CCOc1cc2c(cc1CNC(=O)CSc1nnc3ccccn13)O[C@H](C)C2 9112398 MAHBPVCSPCXWFK-CYBMUJFWSA-N 398.488 2.860 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(F)cc2)N1 9227057 KLYKYYVHNFHJRQ-CQSZACIVSA-N 390.802 2.783 0 40 GFAB Cc1nc(-c2ccco2)ccc1C(=O)N(C)C[C@H](O)COCCOC(C)C 72310420 PESROOQZFADSIH-INIZCTEOSA-N 376.453 2.525 0 40 GFAB CCN(CC)CCO[C@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc23)C1 72309466 GMCKXMPOAKRABF-ROUUACIJSA-N 384.524 2.995 0 40 GFAB COc1ccc([C@H](O)CNC(=O)c2nn(-c3cccc(C)c3C)cc2O)cc1 95409471 NDVNBJHOUNCLDB-GOSISDBHSA-N 381.432 2.667 0 40 GFAB O=C(O)COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc12 95463906 OLGGELCUZGCMCB-UHFFFAOYSA-N 392.367 2.886 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NC1CC1 408676331 NDPYXAOOBRSJDY-UHFFFAOYSA-N 378.425 2.592 0 40 GFAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C1CCN(Cc2ccccc2)CC1 95983653 YTLGWNAMLKMHGW-OAQYLSRUSA-N 396.535 2.849 0 40 GFAB Cc1nc(CN2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)no1 78995657 SCFAVCLFWOXHJW-UHFFFAOYSA-N 386.839 2.848 0 40 GFAB Cc1cc(C)nc(NCCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 79491129 WASAVEJKZLIJDH-UHFFFAOYSA-N 385.487 2.815 0 40 GFAB COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c(=O)cc2OC)cc1OC 67245753 LJUVKBFUYAWTTF-UHFFFAOYSA-N 399.378 2.650 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 20490476 VYGOOESEEUZVOL-UHFFFAOYSA-N 398.488 2.507 0 40 GFAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC2CC2)CC1=O 408616187 WZZQWTYOJBLABN-HNNXBMFYSA-N 377.444 2.879 0 40 GFAB CN1CCN(c2cc3[nH]c(O)nc3cc2NC(=O)CCc2ccccc2)CC1 408529722 HSBZFQLHHYHTME-UHFFFAOYSA-N 379.464 2.592 0 40 GFAB CNc1cc([C@H]2CCCN(CCc3ccccc3)C2)nc(CN(C)C(C)=O)n1 72370156 FWWXEMZEECSGAQ-IBGZPJMESA-N 381.524 2.919 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223604354 FVZCZYOHDGJNDY-OALUTQOASA-N 379.489 2.622 0 40 GFAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc(-c2ccccc2)cc1 224274223 WYQFDEXAYYIVCU-UHFFFAOYSA-N 396.472 2.781 0 40 GFAB Cn1cc(OCc2ccccc2Cl)c(=O)cc1C(=O)NCc1ccncc1 49546567 BVVZTLZSLDKHJO-UHFFFAOYSA-N 383.835 2.943 0 40 GFAB CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1 225921922 JWJMYRNRZREFPW-UHFFFAOYSA-N 391.493 2.774 0 40 GFAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)C1 223202468 DAAVWYHQQZMZEP-VLIAUNLRSA-N 391.899 2.986 0 40 GFAB NC(=O)Nc1ccc(CNC(=O)c2nc(N3CCCCC3)ncc2Cl)cc1 40119589 NONSJNCBYUTMBH-UHFFFAOYSA-N 388.859 2.541 0 40 GFAB Cc1ccccc1CN1CC[C@@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244579 UKRVARDUBIEVTF-QHCPKHFHSA-N 394.519 2.604 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1cccc(Br)c1 96345562 LXMHJLNGUYRMLE-UHFFFAOYSA-N 376.254 2.913 0 40 GFAB Cn1nc(-c2ccsc2)cc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 578838996 XFVINXRTXNYXBS-DZGCQCFKSA-N 395.488 2.962 0 40 GFAB O=S(=O)(c1ccccc1Br)N1[C@H]2CC[C@H]1c1cncnc1C2 253394199 AMMPJWCJKGPIJC-HZMBPMFUSA-N 380.267 2.690 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 253600726 XIQNBFWWRVWDLR-TUBQSGQPSA-N 394.475 2.930 0 40 GFAB COCc1ccccc1CNC(=O)c1ccccc1-n1cnc(CNC(C)=O)c1 257233607 GPXMDLHYSSPGTN-UHFFFAOYSA-N 392.459 2.585 0 40 GFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)c2nccn2C)c1 257310697 UGDLRCHRXNCCTG-SPEDKVCISA-N 396.491 2.833 0 40 GFAB C[C@@]1(O)CCN(Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 604383318 VQRMGEKHQDZJGS-QNWVGRARSA-N 394.519 2.850 0 40 GFAB biogenic,in-vitro COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 260892725 FCMBYWHVKGVMMF-NWDGAFQWSA-N 376.906 2.664 0 40 GFAB Cc1ccnc(NC[C@H]2CCN([C@H](C)C(=O)NC(=O)Nc3ccccc3F)C2)c1 609144772 GPICXIDXRDZVEG-HZPDHXFCSA-N 399.470 3.000 0 40 GFAB O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)NCCC1=CCCCC1 90610188 QGENVPWGVWJCTI-UHFFFAOYSA-N 387.867 2.659 0 40 GFAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(C)n(-c3ccccc3)n2)C1 626475054 LOHRSZVKFRZBLA-CEXWTWQISA-N 383.496 2.944 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(SC)cc2)cc1 96103234 ZXGPUOWTKXLHBY-INIZCTEOSA-N 396.490 2.599 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585183590 FLZNCXPRNXREOT-HXUWFJFHSA-N 379.504 2.552 0 40 GFAB O=C(NCc1cccnc1)c1ccc2n1CCN(C(=O)c1cccs1)CC2 585110948 FUBSHMPFRYGDMJ-UHFFFAOYSA-N 380.473 2.573 0 40 GFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1-n1cccn1 47249517 IVBBJAJSFFEKQA-UHFFFAOYSA-N 382.445 2.665 0 40 GFAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5441102 ULWQFOQGGYKOSJ-GOEBONIOSA-N 390.418 2.704 0 40 GFAB biogenic,in-vitro CCOc1ccc(NC(=O)[C@H](Cc2ccc(OC)c(OC)c2)c2nnn[nH]2)cc1 5444536 GKFHGPPAIVTLSW-MRXNPFEDSA-N 397.435 2.581 0 40 GFAB COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 11859121 RUVFDGOFCYCCJZ-HDMKZQKVSA-N 394.349 2.799 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)ncc2C1 19018369 XZBAVNYERHTJQY-MRXNPFEDSA-N 382.439 2.540 0 40 GFAB Cc1cc(C)n2ncc(CN3C[C@@H](c4ccccc4)[C@@]4(CCCC(=O)N4)C3)c2n1 19116588 SZLNYVGHGYCJSX-NZQKXSOJSA-N 389.503 2.984 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccc(F)cc2)N(C)C)n1C 19289263 LOJWZXJXBIXBNQ-LSDHHAIUSA-N 377.489 2.643 0 40 GFAB O=C(c1ccc(F)cc1)N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375660 NNSXUAKSEQODIH-CQSZACIVSA-N 387.436 2.891 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)n[nH]1)C2 19451885 DMLHCERSJUEKDJ-IBGZPJMESA-N 396.495 2.595 0 40 GFAB C[C@@H]1Oc2ccccc2N([C@@H](C)C(=O)Nc2cccc(-c3nncn3C)c2)C1=O 19462062 XZZCOOAIFUGENU-KBPBESRZSA-N 391.431 2.623 0 40 GFAB CCN1CCN([C@H](c2ccccc2OC)c2nnnn2C2CCCCC2)CC1 19528098 RRUIPYYTQTVLSY-HXUWFJFHSA-N 384.528 2.914 0 40 GFAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 19659107 AYPKYQUXCMKWGB-KRWDZBQOSA-N 396.447 2.649 0 40 GFAB CCCOc1ccccc1CN1C[C@@H](NC(C)=O)CC12CCN(C(C)=O)CC2 19704115 KSVVCQCDZHKVDD-FQEVSTJZSA-N 387.524 2.567 0 40 GFAB CC(=O)N[C@H]1CN(C)C2(CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)C1 19704170 OJXDYXLUCZSGRP-LJQANCHMSA-N 379.508 2.631 0 40 GFAB C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OCC)c1O 8477303 VIDGJMFHXZJESK-LFIBNONCSA-N 384.432 2.924 0 40 GFAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCc1ccccc1S(N)(=O)=O 664908748 ZZKILBRNBBAFOF-KRWDZBQOSA-N 387.505 2.998 0 40 GFAB CNC1CCC2(CC1)CN(C(=O)CCn1cc(C)cn1)Cc1ccccc1O2 19240014 VEYPYEWDPSLGIL-UHFFFAOYSA-N 382.508 2.904 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1(O)CSCCSC1 1888873339 HPFSCNWDOPCWBH-UHFFFAOYSA-N 375.943 2.825 0 40 GFAB Cn1cncc1C(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888897446 LLMVLADMUAMHRP-AWEZNQCLSA-N 381.411 2.557 0 40 GFAB CCn1cnc2c(N3CCN(c4nc5cc(OC)ccc5s4)CC3)ncnc21 1888930617 FTHNEIVJQJHFST-UHFFFAOYSA-N 395.492 2.791 0 40 GFAB COc1cccc(N2C(=O)N(c3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4393508 AVOVBEHIBDUZMR-IAGOWNOFSA-N 392.864 2.961 0 40 GFAB CCOC(=O)c1c(NC(=O)c2cc(C)nn2C)sc2c1CCN(CC)C2 12286754 UNNYGDNIVVDTES-UHFFFAOYSA-N 376.482 2.597 0 40 GFAB O=C(COc1ccc(F)cc1)NCCCn1nc(-c2ccccc2)ccc1=O 13800209 VXGQGNKELVGNME-UHFFFAOYSA-N 381.407 2.635 0 40 GFAB Cc1cc(C)cc(-n2ccn(CC(=O)Nc3ccc(C)cc3C)c(=O)c2=O)c1 20488928 VZMOBEXAZCGMLJ-UHFFFAOYSA-N 377.444 2.872 0 40 GFAB Oc1c([C@@H](c2cccc(F)c2)N2CCC3(CC2)OCCO3)sc2ncnn12 22609554 KIWIBSXBBKRJGU-CQSZACIVSA-N 390.440 2.564 0 40 GFAB Cc1cc(OC2CN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)cc(=O)o1 206962133 FAYIJFQYWWJTEH-UHFFFAOYSA-N 377.462 2.634 0 40 GFAB Cn1cc([C@H]2CN(C(=O)c3cnn(-c4ccccc4)n3)Cc3ccccc32)cn1 575618043 DGNQEPXGKQJEOI-HXUWFJFHSA-N 384.443 2.789 0 40 GFAB Cn1cc(-c2ncccc2CNS(=O)(=O)Cc2ccccc2Cl)cn1 585150064 QYDFLECNCOLWTI-UHFFFAOYSA-N 376.869 2.755 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)c3sc(-n4cccc4)nc3C)C2)nc(C)n1 606440914 UPQRPFJZIQMBBO-HNNXBMFYSA-N 383.477 2.943 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1nn(-c2ccccc2)c2c1CCC2 40024732 HGPGPXBEWWRMMX-UHFFFAOYSA-N 376.464 2.609 0 40 GFAB Nc1nccnc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 40112622 MYFXFXJBLMHQGN-INIZCTEOSA-N 379.489 2.650 0 40 GFAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 50356852 RIGSJYIIECYFGJ-UHFFFAOYSA-N 384.457 2.899 0 40 GFAB CCc1cc2c(COC(=O)[C@H](NC(C)=O)C3CCCC3)cc(=O)oc2cc1O 10911637 CZLYIQRFSPNBKU-HXUWFJFHSA-N 387.432 2.799 0 40 GFAB Cc1nn([C@@H](C)CCNS(=O)(=O)c2cnn(C(F)F)c2C)c(C)c1Cl 36614740 KQOMLQGUBJYPIR-QMMMGPOBSA-N 395.863 2.983 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCCC3)Oc3ccccc32)cc1 7871969 WQGFHBNWNMOEML-IBGZPJMESA-N 386.473 2.574 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)cc1-n1cnnn1 20426977 IYXXCKDAOOPWHD-UHFFFAOYSA-N 386.799 2.535 0 40 GFAB Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)n1C1CC1 3368806 HMKXLKGHFXCJRV-UHFFFAOYSA-N 379.416 2.726 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NCc1cccc(Cl)c1 4581622 LTSLNYARCXDRRA-UHFFFAOYSA-N 390.848 2.857 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](c3nc(C)no3)C2)C(C)C)cc1 59586008 QIQHPILHSYYQNR-ZWKOTPCHSA-N 384.480 2.847 0 40 GFAB O=C1c2ccccc2C(=O)N1CCn1cnc2c(Cl)cc(Cl)cc2c1=O 6087109 VFWANZZFBFVNPU-UHFFFAOYSA-N 388.210 3.000 0 40 GFAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 6439142 QODNSTOMCFZPQH-UHFFFAOYSA-N 380.388 2.605 0 40 GFAB COC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CCCC2 7535109 HLZDQTNKPCPRLR-UHFFFAOYSA-N 384.508 2.578 0 40 GFAB CSc1nc(N2CCCC2)c2cc(C(=O)NC[C@@H]3CCCO3)sc2n1 7604245 HSMBKJZKNGDDBJ-NSHDSACASA-N 378.523 2.922 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 7737071 MCLYWKDZLBPOIX-CVEARBPZSA-N 398.434 2.867 0 40 GFAB CCCn1c(N2CCN(C(=O)CC)CC2)nc2sc3c(c2c1=O)CCCC3 20745932 AIXJKOKFJPSKGE-UHFFFAOYSA-N 388.537 2.805 0 40 GFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4)ncn3n2)cc1 21024116 HSDGPKPJJKZOIW-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB O[C@H](COc1c(Cl)cccc1Cl)CN1CCN(c2ccccn2)CC1 46341844 UWBFFYMDYYLWNL-AWEZNQCLSA-N 382.291 2.950 0 40 GFAB COc1ccc(-c2noc(COC(=O)c3ccc(NC(N)=O)cc3)n2)cc1OC 21277878 VPNAPKHZOBMFBN-UHFFFAOYSA-N 398.375 2.601 0 40 GFAB Cc1c([C@H](C)NC(=O)c2cnc3sccn3c2=O)cnn1-c1ccc(F)cc1 32818206 WBFGDHTUCUJZMX-NSHDSACASA-N 397.435 2.880 0 40 GFAB FC(F)(F)c1ccc2nnc([C@@H]3CCCN(CN4CCOC4=S)C3)n2c1 32913340 MRYSFPLWKHHRPV-LLVKDONJSA-N 385.415 2.502 0 40 GFAB COc1cc(CNCCNC[C@H](C)O)ccc1OCc1ccccc1Cl 22075110 JAXOEZRYSLYOTA-HNNXBMFYSA-N 378.900 2.988 0 40 GFAB CCc1ccccc1NC(=O)C[C@H]1N=C(NC(=N)Nc2ccccc2)N=C1O 22607364 MRUHUAGJGQENFA-MRXNPFEDSA-N 378.436 2.909 0 40 GFAB Cc1ccc(-c2csc(NC(=O)CCn3cnc4c(cnn4C)c3=O)n2)cc1 12254171 OXZFJHBNPCOPRO-UHFFFAOYSA-N 394.460 2.591 0 40 GFAB Cc1cccnc1NC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 47261488 CAQSIYKPFZCJMD-UHFFFAOYSA-N 397.504 2.619 0 40 GFAB Cc1nc(CSc2ccccc2C(=O)NCc2nnc3ccccn23)no1 22832761 AAKXSTBCGCZLFK-UHFFFAOYSA-N 380.433 2.643 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 22843877 SBRUMELYPYNXSH-UHFFFAOYSA-N 394.474 2.572 0 40 GFAB COc1cc(CC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC 47416285 DZRLJRZKJYVCTD-HOTGVXAUSA-N 378.513 2.739 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)cc1C 23127106 MKTXWQBLAWYSLQ-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB Cc1nc2ccc(NC(=O)CN3[C@@H]4CC[C@@H]3CC(O)(c3ccco3)C4)cc2[nH]1 100128871 UDWOAMXGLDJPDC-HZPDHXFCSA-N 380.448 2.917 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)c1 12544896 RFUNUFQHKNORMA-UHFFFAOYSA-N 395.444 2.526 0 40 GFAB CCCS(=O)(=O)NC1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 43316270 GOFDLLXANXTQPX-UHFFFAOYSA-N 379.526 2.891 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491347 XEGGMHLBHRWZHT-UHFFFAOYSA-N 391.880 2.736 0 40 GFAB O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CCCN1C(=O)c1cccs1 12601891 NOYQHXBJSPARKN-GOSISDBHSA-N 394.500 2.914 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccoc2)N2CCCCC2)cc1 48185842 MEZBYMFBZBHBGY-OXQOHEQNSA-N 399.491 2.750 0 40 GFAB Cc1ccc(OCCC(=O)NCc2cccnc2N2CCN(C)CC2)c(C)c1 58014841 ZSRIIPAROXTCLK-UHFFFAOYSA-N 382.508 2.536 0 40 GFAB COc1ccc(CCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 3339241 XTKDYJOWYHOLML-MRXNPFEDSA-N 395.459 2.520 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3396323 VEEYPXNFKILXSL-UHFFFAOYSA-N 381.215 2.817 0 40 GFAB CCCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2104778 AYHYDNHNIAEVPW-OAHLLOKOSA-N 375.421 2.808 0 40 GFAB biogenic COc1ccc(CC[C@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1 58200806 FBDSQTNGRUJUSH-INIZCTEOSA-N 379.460 2.933 0 40 GFAB COc1ccc(CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(OC)c1OC 58268106 QLDFWFQMTPGESQ-GJZGRUSLSA-N 379.501 2.775 0 40 GFAB CCOc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 28295950 XCCXCYBIXWJLAG-UHFFFAOYSA-N 390.505 2.913 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCCN(c2cnccn2)C1 48399808 RWCMCQHGYXEHNI-IBGZPJMESA-N 379.508 2.952 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 48359202 HJCSOAWMGJHSTH-IRXDYDNUSA-N 398.551 2.895 0 40 GFAB COC(=O)CNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 12851797 IMDCJHATYHWBAE-JLHYYAGUSA-N 391.427 2.850 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nc3ccccc3s2)CC1 4088574 XJSCWBGIXCFKKU-KRWDZBQOSA-N 381.457 2.785 0 40 GFAB CCn1c(SCc2ccc3c(c2)OCO3)nc2cc(S(N)(=O)=O)ccc21 5083841 QNJSMQOVXFQNTM-UHFFFAOYSA-N 391.474 2.725 0 40 GFAB CCc1cccc(CC)c1NC(=O)CSc1nnc(SCC(N)=O)s1 6107709 GFLQLHYNHWRPQN-UHFFFAOYSA-N 396.563 2.971 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc2c(c1)CCC2 4468634 VNPMHQLSZIEECF-QHCPKHFHSA-N 389.455 2.897 0 40 GFAB COc1ccc(-c2csc(NC(=O)CSc3nc(N)cc(N)n3)n2)cc1 4413403 BSCUDXZBCISPRW-UHFFFAOYSA-N 388.478 2.504 0 40 GFAB COc1ccc(N2C(=O)C[C@@]3(CC(c4ccc(OC)c(OC)c4)=NO3)C2=O)cc1 5305055 MPTOSTKDQIUBAP-NRFANRHFSA-N 396.399 2.539 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 6595711 ZSIUBWPJWUDWOI-INIZCTEOSA-N 390.505 2.865 0 40 GFAB O=C(COC(=O)c1ccc(O)c(Br)c1)Nc1ccc2c(c1)OCO2 6560057 KIJVLWQWKJNHJC-UHFFFAOYSA-N 394.177 2.679 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1F 5675031 ORIGCSQZJGDLSH-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)c1C 7061259 AXUFXHRXIVMZAW-KRWDZBQOSA-N 383.473 2.855 0 40 GFAB COc1ccc(-c2noc(CN(c3ccccc3)S(C)(=O)=O)n2)c(OC)c1 9227472 HVDFCJSASFBCOD-UHFFFAOYSA-N 389.433 2.720 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409393961 ZLBMUOFCVTVBBG-ZDUSSCGKSA-N 380.441 2.920 0 40 GFAB COc1cc(CC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc(OC)c1OC 21601107 JEAVVMYPBYHSCC-LLVKDONJSA-N 386.404 2.613 0 40 GFAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1C(=O)OC)cn2C 22237268 UTNMMPDHGQKOJM-UHFFFAOYSA-N 380.400 2.976 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)c2oc3ccc(Br)cc3c2C)C[C@@H](C)O1 95414221 JVGDKLFGVZEFCD-OTYXRUKQSA-N 396.237 2.906 0 40 GFAB COC(=O)C(C)(C)C(C)(C)NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 79109506 LQTBSABUFKNPKC-UHFFFAOYSA-N 398.504 2.897 0 40 GFAB COCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 89420388 AHIFSHAYDBGSQG-UHFFFAOYSA-N 393.461 2.653 0 40 GFAB CS(=O)(=O)[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 500665284 PPGAWDDYBXUISV-OAHLLOKOSA-N 396.509 2.912 0 40 GFAB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 408550604 DSTUEGONTSYQRO-UHFFFAOYSA-N 384.194 2.826 0 40 GFAB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 39556375 WCEOGBNAABWJOZ-FMNVXAMXSA-N 396.516 2.730 0 40 GFAB CCc1cc(N2CCC[C@H](NC(=O)c3cn(C)nc3-c3ccc(C)o3)C2)ncn1 528556040 RUKMIGUEVSKNQV-INIZCTEOSA-N 394.479 2.740 0 40 GFAB CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38754244 RLVXASUKDKKTPS-LJQANCHMSA-N 380.554 2.823 0 40 GFAB CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 33325662 UWMXKBDJCHNMDB-INIZCTEOSA-N 375.494 2.666 0 40 GFAB CCc1ccc([C@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)N(C)C)cc1 32733367 ITHUSWYOIXEERF-FQEVSTJZSA-N 394.523 2.655 0 40 GFAB COc1ccc(CN2CCC(CNc3c4c(nc5ncnn35)CCC4)CC2)cc1 72346358 NGOXXSOYOGOCKC-UHFFFAOYSA-N 392.507 2.946 0 40 GFAB COC(=O)c1ccc(NC2CC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223417646 RUJZYSWFUVJAMI-UHFFFAOYSA-N 376.434 2.857 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124102 CIQZMFFZWPYGNO-CQSZACIVSA-N 395.492 2.634 0 40 GFAB Cc1noc(C)c1CN1CC[C@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 96225716 GZOAZYFVOXEUOU-QRQCRPRQSA-N 396.491 2.932 0 40 GFAB Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)[nH]n1 98211486 RAHULYZELPFGPL-UHFFFAOYSA-N 392.375 2.604 0 40 GFAB O=S(=O)(c1cccnc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607601 KOIZOBXAEDRTSU-UHFFFAOYSA-N 387.383 2.728 0 40 GFAB CC(C)n1ncc2c1C[C@H](N[C@H]1CCCc3ccc(S(N)(=O)=O)cc31)CC2 579413268 KFDQABYIUIJZAY-APWZRJJASA-N 388.537 2.636 0 40 GFAB Cn1cc(-c2cnc(-c3cccnc3)nc2)cc1C(=O)NCCc1ccncc1 96266382 CMTBZQZELCHPOV-UHFFFAOYSA-N 384.443 2.912 0 40 GFAB C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)N3CCCC3)[C@H]1CCCCC(=O)N2 257283296 OXRUPPYTRSAZNQ-QTEQDKRBSA-N 383.536 2.743 0 40 GFAB CCn1ccc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)n1 257248688 JETXJRVQIJXFNF-QAQDUYKDSA-N 386.544 2.744 0 40 GFAB C[C@@H](c1ccccc1)n1cc(NC(=O)N2CCN(c3ncccn3)CC2)cn1 646455725 BGLWFFCIXAYIHX-INIZCTEOSA-N 377.452 2.637 0 40 GFAB O=C(NC[C@](O)(c1ccoc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 390827498 YRYKMCDKWDQUER-SFHVURJKSA-N 392.770 2.656 0 40 GFAB Cc1cc(N2CCCC2)ccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 11571623 QPLQXHLDIAAWOU-ROUUACIJSA-N 381.476 2.875 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@H](COc3ccccc3OC)C2)c(C)n1 12239634 DOUJPPQJPYNLQP-INIZCTEOSA-N 393.509 2.700 0 40 GFAB O=C(COc1c(Cl)cccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O 12933976 XPUGYOBFCXKPGC-UHFFFAOYSA-N 386.235 2.658 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)cc1OC 14000982 VMLJYIMLEPJQJW-UHFFFAOYSA-N 378.388 2.534 0 40 GFAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(CC)CC3)o2)cc1 14141811 UWWDLISAQOQAKQ-AWEZNQCLSA-N 390.509 2.780 0 40 GFAB COc1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1Cl 15858545 XBLWRSPVTLAEIA-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1cc[nH]n1 19017509 NYWVREMSLNIYOW-SXLOBPIMSA-N 384.455 2.948 0 40 GFAB COc1cccc(CN2CCN(C(=O)c3ccc(Cn4cccn4)o3)[C@@H](C)C2)c1 19575624 KWJUISVOZRWAQA-KRWDZBQOSA-N 394.475 2.880 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 19655067 FJLMZFBNBPKLHM-ZDUSSCGKSA-N 392.452 2.944 0 40 GFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CN(Cc3cnn(C)c3)CCO2)n1 19692661 UCDFNAPHSHDARK-LJQANCHMSA-N 396.470 2.656 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867552 BTKKATXWCSPENV-QXAKKESOSA-N 376.522 2.533 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302188 NKVDDHHSNMJOSL-FZONSQQESA-N 392.455 2.767 0 40 GFAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 103472598 SRKNHUMFMPIXQJ-CYBMUJFWSA-N 390.915 2.949 0 40 GFAB Cc1nc(C)c(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)s1 225742058 FWLOJVDPHNQDCL-UHFFFAOYSA-N 396.520 2.644 0 40 GFAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N[C@H]1CCS(=O)(=O)C1 9156292 LOOCNBLWXUHUQF-WPRPVWTQSA-N 390.939 2.734 0 40 GFAB Fc1ccc(OC[C@@H]2CCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)nc1 1889148804 QDYOEGBBBVVODK-SNVBAGLBSA-N 382.321 2.583 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037841122 WZOHUKXURMGGHL-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H]3CN(c4ccc(F)cn4)C[C@H]32)cc1OC 2087144446 BSOHHWKQKJDEQP-NVXWUHKLSA-N 385.439 2.518 0 40 GFAB Cc1cccc(CC(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)c1 1565523395 MXCDUJXMDWFVKP-UHFFFAOYSA-N 390.491 2.590 0 40 GFAB Cn1ncc2c(N3CCC(COc4cc(C5CCC5)ncn4)CC3)ncnc21 1775970459 NJIBZHKLEZRECF-UHFFFAOYSA-N 379.468 2.716 0 40 GFAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1ccc(C(F)(F)F)nc1 1775975210 CAZAMQBOPQHWNE-UHFFFAOYSA-N 379.367 2.724 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127451 GSEPGNORQMKWQB-UHFFFAOYSA-N 399.922 2.985 0 40 GFAB Cc1cc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c(C)o1 225742093 VZGGPJYIVUAPJT-UHFFFAOYSA-N 379.464 2.780 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1nc2cc(-c3ccccn3)nc(C)n2c1=O 49407251 BYPJHWQMJQPLBU-UHFFFAOYSA-N 388.431 2.517 0 40 GFAB COc1nc(CNC(=O)Nc2ccc(SC(F)(F)F)cc2)nc(OC)n1 575608687 XTHFFECSFHBBDV-UHFFFAOYSA-N 389.359 2.822 0 40 GFAB CCOc1ccc(NC(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1 618256229 OXJJADOYDNZENR-UHFFFAOYSA-N 386.452 2.508 0 40 GFAB COc1cc2ncnc(N3CCC[C@H](COc4cnccn4)C3)c2cc1OC 2298230605 OXOBJVUMWGURMC-AWEZNQCLSA-N 381.436 2.732 0 40 GFAB O=C1N[C@H](c2ccc(O)cc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 1464595 JIAMXIWSZJUDBV-JMSVASOKSA-N 386.351 2.558 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 40121557 BMRYXUPMLOPWIU-YOEHRIQHSA-N 388.537 2.866 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)no1 677974 TVXGQLIDZUKVFW-UHFFFAOYSA-N 383.385 2.584 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc(C(=O)OC)c1C 707080 RQSJHTFJGQDFOB-UHFFFAOYSA-N 382.482 2.690 0 40 GFAB COc1ccc(C2=NN(C(=O)c3ccccc3O)[C@](O)(C(F)(F)F)C2)cc1 910703 ZPADGBOHJJEDJV-QGZVFWFLSA-N 380.322 2.902 0 40 GFAB COC(=O)[C@H](C(=O)C(=O)Nc1c(C)cccc1C)c1cnc2ccccc2n1 1629312 BFAYDCLEUORUPP-KRWDZBQOSA-N 377.400 2.711 0 40 GFAB CC(=O)c1cccc(N2CN=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3C2)c1 2236460 PCMWZWSLEISSQR-NVMNQCDNSA-N 397.887 2.649 0 40 GFAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 2628025 DMWKKDOPXMXHIZ-SFHVURJKSA-N 379.460 2.859 0 40 GFAB CCCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1ccc(F)c(F)c1F 3350713 BSKUJTVHBISMLR-UHFFFAOYSA-N 384.358 2.690 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N 3352065 AMDWNTVIZNUZQK-ZDUSSCGKSA-N 383.477 2.637 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(N(C)C)c2)n1 3400173 DVHJOBBKHASYTQ-UHFFFAOYSA-N 378.436 2.929 0 40 GFAB CCOC(=O)N[C@@]1(C(F)(F)F)N=C(O)N(c2cccc(C(F)(F)F)c2)C1=O 3626850 IGODLDDHXSVVEX-LBPRGKRZSA-N 399.247 2.971 0 40 GFAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 4304452 KCPJSHONSLSZOO-JOCHJYFZSA-N 393.443 2.993 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C2CCCC2)CC3)cc1 4586281 IFNHGKTWFDCYCG-UHFFFAOYSA-N 392.521 2.525 0 40 GFAB O=C(CSc1nnc(NC(=O)NC2CCCCC2)s1)NCc1ccco1 4851383 VJBIHUAFFNRFFK-UHFFFAOYSA-N 395.510 2.994 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(OC)c2)CC1=O 5037598 ZTFGVOYTJISBAC-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB COc1cc(OC)cc(-n2nnc(-c3nc(-c4ccc(C)cc4)no3)c2N)c1 6868172 MYQWQZUDPIWXSQ-UHFFFAOYSA-N 378.392 2.892 0 40 GFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O 6879592 LONAIIUJLDHMNJ-AUWJEWJLSA-N 398.868 2.920 0 40 GFAB Cc1ccc(NC(=O)NC(=O)COc2ccc(Cl)cc2C(N)=O)c(C)c1 7022791 IPELQNJKHHKBMF-UHFFFAOYSA-N 375.812 2.783 0 40 GFAB CCc1ccc(-c2nnn(CC(=O)NCCOc3ccc(Cl)cc3)n2)cc1 7041993 QSDJIDNVZYFMRG-UHFFFAOYSA-N 385.855 2.751 0 40 GFAB COc1ccccc1CNC(=O)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 7306021 JQJBEYLRQRNSBS-UWJYYQICSA-N 382.485 2.902 0 40 GFAB O=C(CNC(=O)c1ccccc1F)NCc1ccc(CN2CCCCC2)cc1 7447910 OPJRPDPHGBDBCW-UHFFFAOYSA-N 383.467 2.858 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 7709585 KBIBZSIRAODMEB-UHFFFAOYSA-N 388.445 2.791 0 40 GFAB NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 7769872 YJHIZIKBPPUENG-UHFFFAOYSA-N 385.851 2.930 0 40 GFAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 7989228 ZJMDTJPBCRIQSW-UHFFFAOYSA-N 375.384 2.734 0 40 GFAB O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 8231939 NCRQXOLVODLYPZ-KRWDZBQOSA-N 380.510 2.597 0 40 GFAB O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1cc(F)ccc1F 8864259 WQGHDAVCKDHEGI-MRXNPFEDSA-N 379.432 2.918 0 40 GFAB C[C@@H](NC(=O)CSCc1nc(N)nc(N(C)C)n1)c1ccc2ccccc2c1 8877632 GRLMTPCPZZGRCC-CYBMUJFWSA-N 396.520 2.784 0 40 GFAB O=C(CCC1CCCC1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9513613 DDRYYGCAVUKPRT-UHFFFAOYSA-N 384.473 2.756 0 40 GFAB Cc1ccccc1N(CC(=O)Nc1ccccc1N1CCCC1)S(C)(=O)=O 9594819 DOBHTOMARREVLP-UHFFFAOYSA-N 387.505 3.000 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)NCCOc1ccccc1F 9691620 BIKYKWMRFYOCCJ-UHFFFAOYSA-N 399.344 2.902 0 40 GFAB C/C(Cl)=C/Cn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 10386078 BEIIFFOKGIXYEG-YFHOEESVSA-N 394.859 2.997 0 40 GFAB COc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1OC 11666502 CYOCTOYSSJQGAA-UHFFFAOYSA-N 375.855 2.831 0 40 GFAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(=O)NC(C)(C)C 12869204 HFCKXUVVYCPSCR-LLVKDONJSA-N 388.493 2.836 0 40 GFAB CC[C@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1cc(C)on1 12948929 PSQLABQMPBZAJI-JSGCOSHPSA-N 375.356 2.508 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584641 ZJGWRWUPJRYKAP-OAHLLOKOSA-N 376.478 2.805 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCn1cnc2sccc2c1=O 14069078 SPNPMBREIXFZDY-UHFFFAOYSA-N 398.488 2.562 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccsc3)ccc21 14198807 DZUGADINIDGETN-UHFFFAOYSA-N 379.459 2.500 0 40 GFAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 15326857 JXDRCHJDXFGRHI-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2O)CC1 15518714 HGQNUZDHPNMJOY-GOSISDBHSA-N 383.473 2.544 0 40 GFAB O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(C2CCOCC2)C1 15674267 FGZARWVYJBCKBM-HIFRSBDPSA-N 399.369 2.922 0 40 GFAB biogenic,in-vitro C[C@H](NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1)c1ccccc1 15858586 KCAIWAOXLXPABA-AWEZNQCLSA-N 386.473 2.880 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(OC)cc1 16020345 UKXUAQJQENTZMU-ONGXBYRLSA-N 395.503 2.879 0 40 GFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccccc1N1CCCC1=O 16106046 HLBQUZFTZXCULF-UHFFFAOYSA-N 393.443 2.958 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc(C)cc1 16292382 MTLKMKIKDWFPEQ-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)N1CCCCCC1 17744158 WBAPQXMKFVEZPK-UHFFFAOYSA-N 378.904 2.892 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1ccc(Br)cc1)C2=O 18023764 KZTRJFVRXRMWNB-UHFFFAOYSA-N 394.269 2.524 0 40 GFAB COC(=O)c1c(COC(=O)[C@H](C)NC(=O)c2ccco2)nc2ccccc2c1C 18259304 UZDJQXOJXRKQAO-ZDUSSCGKSA-N 396.399 2.785 0 40 GFAB CC(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(C(=O)CC1CCCCC1)C2 19017166 FXQMORSCSFLDTB-SFHVURJKSA-N 386.496 2.721 0 40 GFAB CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(F)cc2)N2CCCN32)cc1 19170032 HNVIFFAQTNUKSF-AABGKKOBSA-N 379.435 2.924 0 40 GFAB O=C(CC[C@@H]1CCCO1)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 19292074 DWNICDDFAHMKRB-ZDUSSCGKSA-N 379.411 2.727 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3cnc4c(C)cccn4c3=O)CC2)c1 19663070 MHNICBZMWQJRIO-UHFFFAOYSA-N 377.444 2.995 0 40 GFAB Cc1cc(C)n(-c2ccc(OCC(=O)Nc3ccc4c(c3)N(C)CCC4)nn2)n1 19718873 HNSNQDHNJOYTGQ-UHFFFAOYSA-N 392.463 2.679 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@@](C)(C(=O)NC3CCCC3)C1)n2C 19746828 JOAOGBPUXUPJQE-JOCHJYFZSA-N 383.492 2.777 0 40 GFAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 19897825 YHBABQVSPYUZIJ-QFIPXVFZSA-N 398.503 2.826 0 40 GFAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 20107091 KJSHDOMYLQCDGG-GOSISDBHSA-N 378.469 2.995 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1C 21131408 MJKQMHZOMBQQNG-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1C[C@H](C)O[C@H](C)C1 22133525 XOYNVZSTVNXMSB-BETUJISGSA-N 396.509 2.834 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NCCC1=CCCCC1 22805695 JEKYUGWHLIKXPF-UHFFFAOYSA-N 383.536 2.746 0 40 GFAB CCOc1cc2c(cc1OCC)CN(CN1C(=O)N[C@@](C)(C3CC3)C1=O)CC2 23654222 LNCNDZKURBWHFU-NRFANRHFSA-N 387.480 2.520 0 40 GFAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1=O 24829661 QWPNBFIURFSRDJ-LUQKVYGDSA-N 384.432 2.502 0 40 GFAB NC(=O)[C@H]1CCCN(C(=O)CSc2nc(-c3ccco3)nc3ccccc23)C1 24879447 WLXFNFMOAJFUIZ-ZDUSSCGKSA-N 396.472 2.706 0 40 GFAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 25063684 IBLKCFZEDACGJO-FPOVZHCZSA-N 395.551 2.633 0 40 GFAB CC(C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)N(C)C 30611031 AOTSBPGFQRCWKC-HXUWFJFHSA-N 378.476 2.702 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(OC)cc1 35349299 UKXUAQJQENTZMU-NQERJWCQSA-N 395.503 2.879 0 40 GFAB COC(=O)[C@H](C)CN(C)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 36397722 JFGJUEPIPPSXCP-GFCCVEGCSA-N 390.436 2.760 0 40 GFAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(Cn2ccnc2)cc1 38679648 WLNRMAOQEATURK-IAGOWNOFSA-N 398.488 2.668 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2OCc2noc(C)n2)cc1 40032351 QENPSDDXVBZEIW-UHFFFAOYSA-N 394.431 2.976 0 40 GFAB C[C@H](NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 45636543 WPPFOHXLEKJQTI-JQHSSLGASA-N 387.480 2.530 0 40 GFAB O=C(OCCO)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 46323054 ZAJVXFZRULFZBF-UHFFFAOYSA-N 380.183 2.943 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1c(O)cccc1Cl 48309265 AENAVIVCTSBYMC-INIZCTEOSA-N 378.831 2.988 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2nscc21 49403921 MBXCPZLCBNNYKA-UHFFFAOYSA-N 386.477 2.710 0 40 GFAB CN(CCc1ccc(F)cc1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 57008540 UJNVQSIJYIZFBM-UHFFFAOYSA-N 398.843 2.673 0 40 GFAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(O)c(Cl)c3)cc21 57558170 ZIBOTBLKXSWALZ-UHFFFAOYSA-N 375.812 2.767 0 40 GFAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC=C(c2ccc(O)cc2)CC1 57940964 LKSKGBXQOCZMIU-UHFFFAOYSA-N 398.484 2.762 0 40 GFAB CCOC(Cn1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)nn1)OCC 58217498 WDYQHZUICXFYOY-UHFFFAOYSA-N 376.457 2.933 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1coc(NC(=O)c2ccco2)n1 62023053 IDYBOIJCIZSJOY-UHFFFAOYSA-N 382.376 2.609 0 40 GFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc[nH]c1=O 65489087 BYUQNROLQHDBRN-UHFFFAOYSA-N 375.384 2.543 0 40 GFAB COC(=O)/C(=C\Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1 67340386 TZJBUJOYZGMMIP-GZTJUZNOSA-N 395.408 2.743 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 67769868 MCELXSWREXFAQA-UHFFFAOYSA-N 382.829 2.816 0 40 GFAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4cccs4)c3)c2)n1 71768540 MRXNCYQSEOXTSY-UHFFFAOYSA-N 394.460 2.914 0 40 GFAB CN1CCN(c2ncccc2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 72216622 OSWMGOZIEVHFDC-UHFFFAOYSA-N 376.501 2.711 0 40 GFAB O=C(NCCc1ccc(F)cc1)c1nnn(-c2ccc(Br)cc2)n1 77100506 JLAVHNCAFJWGEA-UHFFFAOYSA-N 390.216 2.536 0 40 GFAB COCCCCCn1c(=O)c(Br)cn(Cc2ccccc2)c1=O 89410223 ABDUMRYGUJMYFC-UHFFFAOYSA-N 381.270 2.638 0 40 GFAB CCC[C@H](CC(=O)OC)NC(=O)[C@H](NC(=O)c1ccc(OCC)cc1)C(C)C 95459299 WJGYDUZFPKODNO-VQIMIIECSA-N 392.496 2.688 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCCN21 95483438 GJIOGOHEZHMFOV-OKYOBFRVSA-N 396.393 2.800 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCCN(c3ccccn3)CC2)C(C)C)cc1 95940502 IYMDEXMQZWXIBX-NRFANRHFSA-N 394.519 2.883 0 40 GFAB CCOc1ccc(-c2cn(C3CN(C(=O)CCc4cccnc4)C3)nn2)cc1 95998052 BWYZCKZFWGKRMZ-UHFFFAOYSA-N 377.448 2.755 0 40 GFAB O=C1N[C@@H](CCC(=O)N2CCC(c3ccccc3)CC2)C(=O)Nc2ccccc21 96115005 KQVXOJBKROWRPT-FQEVSTJZSA-N 391.471 2.924 0 40 GFAB biogenic Cc1ccc([C@@H]2[C@@H](C(=O)Nc3c(C)nn(C(C)C)c3C)OCC(=O)N2C)cc1 96181427 MFBOJMIDGQQCFA-UXHICEINSA-N 384.480 2.926 0 40 GFAB O=C(Nc1ccncc1)c1nc2c(s1)CCN(C(=O)Cc1ccccc1)CC2 96264732 USFXSNRQMCLIDF-UHFFFAOYSA-N 392.484 2.960 0 40 GFAB O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339954 FICJFSKNWWWKGM-MISXLKTNSA-N 386.473 2.590 0 40 GFAB COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 103984948 QLZZEVOWQFHOPB-SOUVJXGZSA-N 394.537 2.890 0 40 GFAB C[Sn](C)(Cl)O[Sn](C)(C)Cl 195997344 MJVUVUZMCZQYLU-UHFFFAOYSA-L 384.467 2.884 0 40 GFAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)s1 223135247 ZESXSXQATWTBRQ-UHFFFAOYSA-N 398.535 2.750 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 224270215 CLCQNRNXKSNPGB-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB CC[C@@H](C(=O)NCCOc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 224308925 CLZRNHUGZGUSNF-SFHVURJKSA-N 394.468 2.566 0 40 GFAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OCC)cc1 224596798 SRBJNRWWPLLGCC-UHFFFAOYSA-N 381.425 2.983 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)c(C)c1C 225403331 NUQLLTFDCCRTRK-UHFFFAOYSA-N 395.477 2.816 0 40 GFAB COc1ccc(-c2cncc([C@H]3CN(Cc4cn(C)nc4C)CCO3)n2)cc1 257308490 TWWWKVLECARGHF-OAQYLSRUSA-N 379.464 2.768 0 40 GFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 408701418 XPCKSNDLTGEZKB-KRWDZBQOSA-N 396.553 2.992 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 409134251 NLYJIPTXYCHCRG-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 409195696 KEUBUUHGLDYUGB-AWEZNQCLSA-N 392.477 2.790 0 40 GFAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 524735495 FYISQCJWSCSVQA-MRXNPFEDSA-N 380.429 2.698 0 40 GFAB O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1n[nH]c2c1CCC2 574901127 KTTSJYNLULPOGT-LBPRGKRZSA-N 383.402 2.785 0 40 GFAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)Cc3ccccc32)cn1 575617998 CXRHLSLLZXDSJT-HXUWFJFHSA-N 395.484 2.691 0 40 GFAB Cc1cccc(OCC(=O)N2CCN(c3nnc(-c4ccon4)s3)CC2)c1C 585082421 QTQIJXMHLTZYFW-UHFFFAOYSA-N 399.476 2.538 0 40 GFAB CC(C)c1nc(C2CCN(C(=O)c3ccnc(N4CCO[C@@H](C)C4)c3)CC2)no1 585085844 AZSGFIBOJDCYMH-HNNXBMFYSA-N 399.495 2.833 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440818 GZQUWPDCTXDXIJ-CYBMUJFWSA-N 398.207 2.740 0 40 GFAB COc1ccc(-c2n[nH]c(NC(=O)c3c(C4CCC4)cnn3C)n2)c(OC)c1 622791981 DUPCNIWIAATACG-UHFFFAOYSA-N 382.424 2.742 0 40 GFAB COc1ccc(Cl)c(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)c1 641047296 JXHKJLMWZNRNSY-UHFFFAOYSA-N 391.903 2.596 0 40 GFAB COc1ccc(CS(C)(=O)=O)cc1NC(=O)NC[C@@H]1CCC2(CCCC2)O1 654072113 XICFOGAFORHSNH-HNNXBMFYSA-N 396.509 2.853 0 40 GFAB O=C(N[C@@H](C(=O)O)c1ccccc1Br)c1cnn2c1CCCC2 659190614 OYZYIKBQYDWKGF-CQSZACIVSA-N 378.226 2.538 0 40 GFAB O=C(CSc1ccncc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615118765 DICWNQIKFNACQS-UHFFFAOYSA-N 397.500 2.598 0 40 GFAB CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772595084 VFEHJTXAHVJCGD-GUDVDZBRSA-N 380.479 2.806 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 1848354104 CNEWTLCQKOGDIB-IBGZPJMESA-N 397.494 2.691 0 40 GFAB O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCC(F)(F)CC1 1889101427 VFLGIQPMKZMNFV-UHFFFAOYSA-N 378.345 2.970 0 40 GFAB O=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)NCc1cccs1 47894590 YNVFZXZGRUEWOQ-UHFFFAOYSA-N 385.533 2.578 0 40 GFAB COc1ccccc1CN(C)C(=O)NCc1ccc(CN2CCOCC2)cc1 24975047 AYFMLDLUBQKNRD-UHFFFAOYSA-N 383.492 2.869 0 40 GFAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 24908364 FMYHEFYMVVIKOB-CYBMUJFWSA-N 381.823 2.912 0 40 GFAB Cc1oc(C(N)=O)cc1-c1csc(NC(=O)COc2ccccc2F)n1 78813328 DCENSGQMDYNWTK-UHFFFAOYSA-N 375.381 2.967 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccc(CN2CCCCC2=O)cc1 25123290 NRNSMWCPFMAZQT-UHFFFAOYSA-N 389.459 2.710 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)cc1 3386908 DIYVTLUIJHDIMM-UHFFFAOYSA-N 387.388 2.676 0 40 GFAB C[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 43839105 IXOPKUSUUDVRQF-AWEZNQCLSA-N 375.432 2.930 0 40 GFAB Cn1cc(S(=O)(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cn1 57931288 VVOXVGQGPWOSKS-SFHVURJKSA-N 377.416 2.961 0 40 GFAB CSCC[C@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nnc2ccccn12 96116932 BPWIGIJZBDPCHE-INIZCTEOSA-N 382.489 2.817 0 40 GFAB COc1ccc(CN2[C@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cc1 100146457 LRIKOAGUWQTDBS-OALUTQOASA-N 383.492 2.509 0 40 GFAB COc1cc(-c2noc(CCC(=O)NC3CCCC3)n2)cc(OC)c1OC 2217843 SXSNCXSTCFMWHL-UHFFFAOYSA-N 375.425 2.754 0 40 GFAB Cc1cc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nc(C)n1 53578236 SZMYWDZUNLGICQ-UHFFFAOYSA-N 393.470 2.961 0 40 GFAB CCCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1 22381072 REHCEJZMSHLQBG-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1Cl 10833722 FPTHEJBSXCVMPS-CYBMUJFWSA-N 382.869 2.561 0 40 GFAB O=C1[C@@H]2OC[C@@H](O2)[C@H]2[C@@H]1[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc(F)cc1 58986124 YANFNRSMJXESCV-OBQNWJJYSA-N 391.398 2.975 0 40 GFAB CCOC(=O)c1cc(O[C@H](C)C(=O)NC2CCCC2)cc(C(=O)OCC)c1 11211337 BUPNRYFUTCKXLX-CYBMUJFWSA-N 377.437 2.866 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 11210172 OEVKCDHHBVZMJS-KGLIPLIRSA-N 377.462 2.743 0 40 GFAB CCCCN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 12758460 HWNCXSZGWZEIKL-OAHLLOKOSA-N 380.539 2.854 0 40 GFAB CSc1cccc(NC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)c1 12729095 ZONBUCCNCOFVTA-UHFFFAOYSA-N 383.477 2.738 0 40 GFAB C[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 47286643 MSPLSQKCPNGXFQ-AWEZNQCLSA-N 387.867 2.923 0 40 GFAB CN(C)c1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 12563891 ULPRGJFGLOHYBO-UHFFFAOYSA-N 378.432 2.641 0 40 GFAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 3175690 HHAQCLORXUAUPG-UHFFFAOYSA-N 375.450 2.727 0 40 GFAB COC(=O)c1cc(NC(=O)CCc2nc(-c3ccco3)no2)c(F)cc1F 12821336 MZKWXFDMZNWYDC-UHFFFAOYSA-N 377.303 2.966 0 40 GFAB CSCC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 3462200 OLZVHGPZGQFEQS-OAHLLOKOSA-N 398.440 2.772 0 40 GFAB NC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2O1 13095992 UDRAZLNZHIXDKL-HNNXBMFYSA-N 380.231 2.685 0 40 GFAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 13573799 KFGZVYLQXRPZCH-CNYBTUBUSA-N 392.452 2.626 0 40 GFAB CC(C)C(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 5015545 QJYQFFOTXBEAMI-UHFFFAOYSA-N 388.445 2.505 0 40 GFAB CCOCCCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 6652374 AQPGKGFJWDKQMF-UHFFFAOYSA-N 398.872 2.735 0 40 GFAB COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1OC 4954404 FNNFAEUEMHYZNE-AWEZNQCLSA-N 389.404 2.667 0 40 GFAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 22397722 KQSIHOCJHFWAMW-AWEZNQCLSA-N 394.468 2.868 0 40 GFAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 8547089 SXTZUCBHEQXVCW-FQEVSTJZSA-N 397.456 2.920 0 40 GFAB O=C(O)CC1(NC(=O)CSCc2coc(-c3ccccc3)n2)CCOCC1 97018169 ZSOPXSNZZLPACZ-UHFFFAOYSA-N 390.461 2.715 0 40 GFAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(Cc2ccccc2)s1 71285417 PNOOTTRTCZSXEZ-UHFFFAOYSA-N 393.428 2.584 0 40 GFAB COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccco3)CC2)C1 306125646 CWUSSNLWYVXMFR-UHFFFAOYSA-N 397.435 2.704 0 40 GFAB O=C(O)C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1CCN1CCCCC1 20463052 FGYDQEDTRRQOLP-OALUTQOASA-N 388.508 2.881 0 40 GFAB biogenic,in-vitro Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1C 409139533 AWPDRPIPXZTWGN-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB O=C(NC1CCc2ccccc2CC1)N1CCC2(CCC2)S(=O)(=O)CC1 514921304 CTSGSMMVSYPBOT-UHFFFAOYSA-N 376.522 2.687 0 40 GFAB CCOc1cc2c(cc1/C=C1/C(=O)N(Cc3ccco3)C(=O)N=C1O)OCO2 33776335 KCDTYCNQOZFTEZ-AWNIVKPZSA-N 384.344 2.909 0 40 GFAB COc1c2occc2c(OC)c2c(C)c(C(=O)OCCN3CCOCC3)oc12 31961179 GBUVLLXEZWASOI-UHFFFAOYSA-N 389.404 2.994 0 40 GFAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 562602616 RNPHCGVUHRRLAT-CZUORRHYSA-N 386.481 2.924 0 40 GFAB C[C@@H](NC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2)c1ccc2n[nH]cc2c1 569061444 ZRKNXUQNXNCOOR-CQSZACIVSA-N 390.509 2.624 0 40 GFAB Cc1ccccc1[C@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 569934767 NNISCNKEMAREQB-OXJNMPFZSA-N 382.460 2.771 0 40 GFAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)CCC2 223229794 SBEFPTTWUZEPGY-CQSZACIVSA-N 398.484 2.587 0 40 GFAB CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(Cn2cnnc2O)n1 573960915 PHOBJDYCWXGTSC-ZDUSSCGKSA-N 394.229 2.954 0 40 GFAB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(SC)cc1 224980425 CSVMDZZHLYKKLU-UHFFFAOYSA-N 381.475 2.785 0 40 GFAB COc1ccc2cc(C(=O)N3CCC[C@H](Oc4cncc(OC)n4)C3)[nH]c2c1 225498902 YGKULHQBLAXFCS-HNNXBMFYSA-N 382.420 2.659 0 40 GFAB COCc1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 224007115 NSMPZWGPEODVJE-ZDUSSCGKSA-N 380.441 2.765 0 40 GFAB COc1ccc(CN2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)cc1 96060775 NWQRUIXJJDQAFK-KRWDZBQOSA-N 379.464 2.535 0 40 GFAB Cc1ccc(NC(=O)N2CCC3(CC2)COCCN(c2ncccn2)C3)cc1 96078245 SBHOGQHFCQKVQI-UHFFFAOYSA-N 381.480 2.936 0 40 GFAB CCOc1ccc(-c2nc(N3CCN(C)CC3)sc2CC(=O)O)c(C)c1 95097216 XOEXBOMZXYHBDR-UHFFFAOYSA-N 375.494 2.896 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(C)cc1 96518280 DOGWDWJLBFGCSZ-LLVKDONJSA-N 386.638 2.940 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc2c1CCCC2 245227881 XIPKVCHJJFMJEA-OPLYSGQSSA-N 376.456 2.557 0 40 GFAB CCOc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 242794077 FBKBSZFYIBRMRT-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB COc1ccccc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257245655 IQMSZFJGYOMMDE-KSSFIOAISA-N 386.423 2.619 0 40 GFAB Cc1nccc(C(=O)N2CCC(c3cnc(-c4c(C)noc4C)cn3)CC2)n1 257315180 VAGPXEWYJPLPIZ-UHFFFAOYSA-N 378.436 2.867 0 40 GFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCc2cccnc2)cc1OC 253396108 DBVIXWHIXCKFSJ-LBPRGKRZSA-N 383.404 2.737 0 40 GFAB biogenic,in-vitro COCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 257219259 DGEVHRDFNOERSV-WKILWMFISA-N 383.496 2.641 0 40 GFAB COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@@H]2Cc1ccccc1 257261449 LHJASKZJVBVCKD-HVJVJISESA-N 386.536 2.782 0 40 GFAB O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F 1606632806 IDPZAQAHPVRVNC-FZKQIMNGSA-N 381.411 2.904 0 40 GFAB C[C@H](c1ccccc1)n1cc(NC(=O)N2CCC3(CCN(C)C3=O)CC2)cn1 646448293 WLJKDWRAHVFLNO-MRXNPFEDSA-N 381.480 2.969 0 40 GFAB COc1ccc(C(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1 90607910 LKJOBVWIVAMXQP-UHFFFAOYSA-N 378.436 2.774 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122095 XGAKOBLYAUPOGK-UHFFFAOYSA-N 388.420 2.853 0 40 GFAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(-c2cccs2)cc1 390831716 UJBJKIRCTXMELC-INIZCTEOSA-N 390.472 2.862 0 40 GFAB CCN(CC)C(=O)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 585102012 XXIYHRQGRCHKTR-NRFANRHFSA-N 396.535 2.969 0 40 GFAB CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)c1c(C)nn(C)c1C 58574873 RSPCPVLSWOLQEA-UHFFFAOYSA-N 375.450 2.974 0 40 GFAB Cc1cncc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615127809 HIFDVJCCWXVWFA-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1 5747502 QFCWHPZEIKVCEH-VMPITWQZSA-N 384.384 2.914 0 40 GFAB COc1cc2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc2c(OC)c1OC 12144320 SYKJKTSCEFSBNO-UHFFFAOYSA-N 384.388 2.895 0 40 GFAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C[C@H](C)n2cncn2)cc1 12145702 VRWAPXVDDHADAJ-KBXCAEBGSA-N 380.452 2.617 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCN(C3CCCCC3)C(=O)C2)no1 12206019 OUWNXRUVRUOUDL-UHFFFAOYSA-N 383.448 2.967 0 40 GFAB COc1ccc(CC(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)cc1OC 12406991 WALJBZASWJIHIP-PXAZEXFGSA-N 386.370 2.886 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1cn(C)cn1 19017531 UYRQJBRJTAGPOC-TYPHKJRUSA-N 398.482 2.959 0 40 GFAB COc1cccc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 19018238 DBGWWEBTXFPYCJ-HXUWFJFHSA-N 394.475 2.757 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCc2nc(C3CCNCC3)ncc2C1 19559083 DARPPGWMFZJCTQ-UHFFFAOYSA-N 386.883 2.804 0 40 GFAB CN1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 19590354 IULLCCVHGAHVRB-SFHVURJKSA-N 390.484 2.520 0 40 GFAB Cc1nn(CCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)c(C)c1C 19557030 IESFGDPEOWFUCU-IBGZPJMESA-N 382.508 2.661 0 40 GFAB FC(F)(F)c1ccc(N2C[C@H]3CN(Cc4nnc(C5CC5)o4)C[C@@H]3C2)nc1 1888849901 IWJMHTPVPXPCER-CHWSQXEVSA-N 379.386 2.929 0 40 GFAB CCN(C(C)=O)[C@H]1CN(S(=O)(=O)c2cn(CC)nc2C)C2(CCCCC2)C1 1848352522 VFJKCAPTVBJJGO-QGZVFWFLSA-N 396.557 2.546 0 40 GFAB O=C([C@H](Sc1nncn1Cc1ccco1)c1ccccc1)N1CCOCC1 22193818 OKWBTPVDSTWJDN-QGZVFWFLSA-N 384.461 2.612 0 40 GFAB O=C(O)[C@@H]1CS[C@H](c2cc(Br)c(O)c(Br)c2)N1 4547554 YSXSRLZSKXDLNH-IONNQARKSA-N 383.061 2.705 0 40 GFAB O=C(CCc1ccccc1)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O 9419512 DOCVRDCJVWHPIQ-GOSISDBHSA-N 391.349 2.750 0 40 GFAB COc1cccc(OC[C@H](O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 16839733 IPHVSWRPKSGWQY-QGZVFWFLSA-N 393.505 2.826 0 40 GFAB Cc1ccsc1CN1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1 2055713226 INFCKOOILWKWAR-UHFFFAOYSA-N 386.443 2.923 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](OCCO)c2ccsc2)cc1Cl 575621798 USZMRTHLKMNMNR-OAHLLOKOSA-N 382.869 2.515 0 40 GFAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 40012003 ODKVLAFUBJWSBS-SFHVURJKSA-N 386.459 2.994 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40110936 JYXZWHQLLZYPFE-IBGZPJMESA-N 387.823 2.721 0 40 GFAB Cc1cccc(C)c1OCCNC(=O)CCn1c(C)nc2ccccc2c1=O 40113749 CFLYDWCFLLUIEK-UHFFFAOYSA-N 379.460 2.907 0 40 GFAB O=C1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c2ccccc2N1 32426675 QCDCGQNVUKZRSO-UHFFFAOYSA-N 399.472 2.506 0 40 GFAB Cc1cc(NC(=O)CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)n(C)n1 102400943 ODOJWMZEUBUIRW-HNNXBMFYSA-N 398.442 2.736 0 40 GFAB CC(C)Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nc(O)cc1=O 32957980 BUQBVEFLLGMFIT-UHFFFAOYSA-N 381.885 2.667 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CCCN1C(=O)c1ccco1 41969579 IKOINNXSBJPGOC-KRWDZBQOSA-N 383.448 2.917 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1C(=O)O 42792441 UKRJSBPVGIVOCG-UHFFFAOYSA-N 390.339 2.830 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1 100707230 HMEFWBBNVCXWGL-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB O=C(Cn1cnc2cc(F)ccc2c1=O)Nc1cc2c(cc1Cl)OCCO2 11348993 LOJDUALZENIMDA-UHFFFAOYSA-N 389.770 2.599 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)cc1 1290015 HXVRLLBDPUUCTO-INIZCTEOSA-N 396.443 2.792 0 40 GFAB O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324731 HQRZZDUKEZJFEX-CQSZACIVSA-N 378.425 2.535 0 40 GFAB CCCn1c(S[C@@H](C)C(=O)NC(=O)NC)nnc1-c1ccc(Cl)cc1 11421869 YKWKEGOOZQFWQP-JTQLQIEISA-N 381.889 2.945 0 40 GFAB COc1cc(F)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)cc1OC 45797451 QADFJMNXLIUBSF-CQSZACIVSA-N 398.456 2.551 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCCCCC1 6266886 QJAIMQUUKQOQJC-GFCCVEGCSA-N 389.315 2.519 0 40 GFAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC)c3)cc2)CC1 6517677 OEYDBIZCXZSDTK-UHFFFAOYSA-N 398.532 2.964 0 40 GFAB CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(=O)OC)=NN2c2ccccc2)S1 6810033 AWJBUYNTGJHXAK-QGZVFWFLSA-N 393.490 2.811 0 40 GFAB COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 7306326 GSIFSCYAWWJMJQ-KRWDZBQOSA-N 375.446 2.741 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 7429721 FFBBQFLOBPXPBT-INIZCTEOSA-N 396.443 2.792 0 40 GFAB CN(C)CCN(C(=O)c1ccco1)c1nc2c(S(C)(=O)=O)cccc2s1 7599613 UYAOBALOBPVCCK-UHFFFAOYSA-N 393.490 2.501 0 40 GFAB CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C(F)(F)F)c1 101418418 GMXFTGRELQZGKJ-GVAFMPQTSA-N 378.350 2.823 0 40 GFAB Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1C1CC1 7617760 DVYOBCNWBVXNDI-UHFFFAOYSA-N 389.872 2.886 0 40 GFAB COC(=O)c1c(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCCC2 100642960 JDLSIIZPYMLWOH-GVAFMPQTSA-N 389.473 2.861 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1C1OCCO1 60348744 WNTJNBYIKUCCGA-ZDUSSCGKSA-N 381.372 2.501 0 40 GFAB Cc1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 32780992 OUDYLTACUPMXRT-UHFFFAOYSA-N 377.466 2.729 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 2637401 UAVFETWDPPGYDB-NSHDSACASA-N 395.868 2.604 0 40 GFAB COCCN(CCOC)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 37114813 KOOODSWKIFVIRU-UHFFFAOYSA-N 380.872 2.811 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C(F)(F)F)c1 102898030 OOUAAMBIIJSCJA-KMNSEVKQSA-N 392.377 2.690 0 40 GFAB CS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 7727667 ZCMYSOUZGLHZLK-UHFFFAOYSA-N 379.381 2.910 0 40 GFAB Cc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1C 7718595 BVOXNYNKSYUJTQ-QGZVFWFLSA-N 377.487 2.809 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103120467 MFVFGPIAIHRKBZ-KBPBESRZSA-N 383.473 2.596 0 40 GFAB COc1ccc(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1 16109478 GSKCFISSOWQUPW-CYBMUJFWSA-N 377.462 2.527 0 40 GFAB O=C(Oc1ccc2cccc(OC(=O)N3CCOCC3)c2c1)N1CCOCC1 794519 AFDCOPAFBSFUDD-UHFFFAOYSA-N 386.404 2.502 0 40 GFAB CSCc1nnc(SCC(=O)NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)o1 104239751 CYVRJBCSGCTHLB-NOOOWODRSA-N 384.527 2.675 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H]3CCOc4ccccc43)C(=O)[C@@H]2C)cc1 7922429 LVZPDPMUMYFCNP-MAUKXSAKSA-N 393.443 2.792 0 40 GFAB COc1ccccc1CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 12567158 VTUNVWFWABWXKQ-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 24611828 IKCBXHQCJSPOOJ-UHFFFAOYSA-N 386.517 2.853 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 67769874 YTDIGJZRYCKFMQ-UHFFFAOYSA-N 382.829 2.816 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1C)S(C)(=O)=O 23530553 CLWXOMTXVCEPGZ-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCSc2c(F)cccc21 12622705 SVJBGMVTMHPPSU-HNNXBMFYSA-N 380.466 2.748 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(F)c2)c(OC)c1 48153152 CDQAHIKUEASNKD-SFHVURJKSA-N 386.423 2.764 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2cccc(F)c2)n2nnnc2N3)cc1 10295403 DIIGBHKCBYCWBH-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB COc1cc2oc(=O)c(CC(=O)N3CCC(C(=O)O)CC3)c(C)c2cc1Cl 2119751 QBYAIALSTDKNHC-UHFFFAOYSA-N 393.823 2.629 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1 3354369 FALFRLVLQSDGCR-UHFFFAOYSA-N 383.853 2.549 0 40 GFAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CS(N)(=O)=O)cc1 10707205 FFQRYHZCEMVMLS-GFCCVEGCSA-N 398.937 2.926 0 40 GFAB O=C(Cc1csc(Cc2ccccc2)n1)/N=c1/[nH]nc(-c2ccccn2)[nH]1 48253965 VSLBVTBMXMHPES-UHFFFAOYSA-N 376.445 2.517 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1OC(F)F 3573538 SFOPWPCHPUNRHY-UHFFFAOYSA-N 379.315 2.870 0 40 GFAB Cc1sc2nc(CSc3nnnn3Cc3cccs3)[nH]c(=O)c2c1C 8342716 VVRQCONYCHAANV-UHFFFAOYSA-N 390.519 2.990 0 40 GFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 49126368 YQXDKAOJHVCGJV-APWZRJJASA-N 393.487 2.884 0 40 GFAB O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NC2CCCC2)cc1 17077256 LCRHEOJHTFEEGU-UHFFFAOYSA-N 377.495 2.506 0 40 GFAB COc1cc(-c2nc(CC(=O)N[C@H](CO)C(C)C)cs2)cc(OC)c1OC 13731614 HNOLSGTWWBYGFO-CQSZACIVSA-N 394.493 2.512 0 40 GFAB C[C@@H](OC(=O)c1ccccc1OC(F)F)C(=O)NCc1ccc2c(c1)OCO2 5291473 XATJSWKHORSOPU-LLVKDONJSA-N 393.342 2.878 0 40 GFAB C[C@H]1C[C@H](C)CN(CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 65516013 ZZUVFHRDCSSFKF-GJZGRUSLSA-N 381.467 2.802 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)c1ccccc1 14183773 DMSGOZBCPQCRML-SFHVURJKSA-N 387.867 2.971 0 40 GFAB Cc1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n(N)c1=O 6566719 SUTYPDZIOKEHHH-UHFFFAOYSA-N 375.498 2.638 0 40 GFAB COCCNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 6589805 HWPDPCSWHAXPMH-UHFFFAOYSA-N 377.853 2.541 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2)C1=O 6604831 YKXWUCUXFIZTNC-QFIPXVFZSA-N 392.459 2.693 0 40 GFAB COc1cccc(CN(C(=O)c2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1 6810921 FFYKJVXTKOUUSX-HNNXBMFYSA-N 377.437 2.664 0 40 GFAB COc1cc2ccccc2cc1C(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1 6983166 IEYNTTYQNMAEMY-UHFFFAOYSA-N 386.429 2.757 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCCOc1ccccc1F 8775218 OJTJBFBKFZBSCR-UHFFFAOYSA-N 383.423 2.970 0 40 GFAB COC(=O)c1sc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C(=O)OC)c1C 7307985 ABUXWNBASREKHP-NSHDSACASA-N 397.474 2.669 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c(-n2cnnn2)c1C 71283912 RVMYTAYULJUCLT-UHFFFAOYSA-N 391.460 2.974 0 40 GFAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 408709707 WEYZADPSXIHACY-UHFFFAOYSA-N 395.459 2.621 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(F)ccc1NC(=O)N1CCCC1 71328851 VLUITWDAFAHKFI-MRXNPFEDSA-N 379.432 2.771 0 40 GFAB O=C(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1cn(-c2ccccc2)nn1 96002995 OBCFGIXAVKIZPS-AWEZNQCLSA-N 390.369 2.834 0 40 GFAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccc(Cl)c1 19819786 SSNOMKWNQQWBPW-QGZVFWFLSA-N 388.851 2.872 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 24643644 MXZPTIAZSSKHQY-UHFFFAOYSA-N 399.834 2.704 0 40 GFAB CCCCn1c(-c2cn(C)c(=O)n(C)c2=O)nc2cc(C(F)(F)F)ccc21 97022279 DLBXZDKFTYHUGB-UHFFFAOYSA-N 380.370 2.920 0 40 GFAB COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 79108042 NPJYLJNRIYPCCE-UHFFFAOYSA-N 389.355 2.868 0 40 GFAB Nc1nc(N2CCN(c3ccccc3F)CC2)ncc1C(=O)Nc1ccccc1 65154637 NNDCZFVBUMFLKZ-UHFFFAOYSA-N 392.438 2.777 0 40 GFAB CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1 95944419 IAMYSRBGQKFLOZ-OAHLLOKOSA-N 399.491 2.826 0 40 GFAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(Cn2ccnc2)o1 95956510 QPAVMWKCVYUZGK-UHFFFAOYSA-N 388.427 2.664 0 40 GFAB CC(=O)Nc1nc(C(=O)NCC[C@](O)(c2ccccc2)C(F)(F)F)cs1 89265652 PXDPPAGPQACIKB-HNNXBMFYSA-N 387.383 2.672 0 40 GFAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)NC1CCCCC1 9954713 XIYSGEQXTZBDLI-UHFFFAOYSA-N 393.557 2.742 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1OCC 408697642 KIVGIBSCFAYFFW-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)n2c1nc1ccccc12 32581135 FZRWWEGPKKOPJX-GOSISDBHSA-N 378.432 2.908 0 40 GFAB CCCN1CCc2nc(SCC(=O)N3CCc4ccccc43)nc(O)c2C1 67291879 VMGYMQYIGXIRBE-UHFFFAOYSA-N 384.505 2.632 0 40 GFAB COc1ccccc1CN1C[C@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O 36358234 NXWXSFKKMPMTAO-CYBMUJFWSA-N 388.493 2.831 0 40 GFAB CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1C[C@@H](O)C=C2CO 504660244 XXSSNTKMBVTREV-XSZZKUPPSA-N 392.492 2.535 0 40 GFAB biogenic COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1ccc(F)cc1 408590763 KVZRKTQJHOKEQF-UHFFFAOYSA-N 392.452 2.617 0 40 GFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218502932 KAYIDUZEWTVDAI-ROUUACIJSA-N 378.925 2.746 0 40 GFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc3nccnc3c1)C2=O 47179252 JSPXWUTYVAYKGR-ZSEKCTLFSA-N 395.463 2.705 0 40 GFAB C[C@@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]2C[C@@H]1C2(C)C 40073550 QNHJMTKJDFGIIU-FQLMCAECSA-N 397.493 2.528 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222468799 MIRCVDCVAPLJGP-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 223587065 JGOXXYFDXGKERK-RBUKOAKNSA-N 382.464 2.976 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)CCc3nc4ccccc4[nH]3)n2)cn1 225816999 WSTVFQCGSZAMRE-UHFFFAOYSA-N 392.419 2.656 0 40 GFAB COc1ccc(-n2nnc(C(=O)O)c2CSc2ncccn2)cc1Cl 85398275 ALPUUZLYIITLJI-UHFFFAOYSA-N 377.813 2.710 0 40 GFAB COc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1OC 222427784 NUOFVRWCBYTSRR-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB NC[C@@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC[C@H]1C(F)(F)F 625853676 YTIVBSDZQZYPGH-GDBMZVCRSA-N 381.402 2.922 0 40 GFAB O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCc2c(F)cc(Br)cc2C1 662658030 YXVZHVQEULUZQA-SNVBAGLBSA-N 393.260 2.587 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 585106720 GMPDJDMPKZERML-URXFXBBRSA-N 392.499 2.861 0 40 GFAB CC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 47423081 NTCNRHBJRLZLOV-OAHLLOKOSA-N 387.505 2.843 0 40 GFAB O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCCCCC2)c1 55949610 XRSVTDXGJUOCHQ-UHFFFAOYSA-N 378.416 2.934 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 5002456 SCGTUDRTXWKHGS-UHFFFAOYSA-N 396.852 2.782 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 5018191 VSHDSIZCAIEPCM-DLBZAZTESA-N 392.496 2.826 0 40 GFAB aggregator O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc2[nH]1 12147728 PNCTYSQEQDDRNS-UHFFFAOYSA-N 393.424 2.684 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@@H]1CCCO1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184795 XZNQWQJQXLWDJQ-VCSUUASASA-N 384.476 2.627 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)NCC4CCCCC4)ccc3c(=O)n2CC1 12187093 RLQYLBBLOGYQHM-UHFFFAOYSA-N 396.535 2.973 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 12557792 JCJDSXPZBIKLFC-SFHVURJKSA-N 382.445 2.640 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)N1CCCCCC1 12818134 YPXPDDNYKXHJJP-UHFFFAOYSA-N 394.324 2.985 0 40 GFAB O=C(Nc1c[nH]c2c(Cl)cccc2c1=O)N1CCN(c2ccccn2)CC1 18179849 PUDLMCVJMSNJTF-UHFFFAOYSA-N 383.839 2.931 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)C4[C@H]5CCCC[C@@H]45)CC3)ncc2C1 19018782 CVZMVCJRXMOZEM-UFRUDQCGSA-N 382.508 2.523 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)nc2c1CCCN2CC1CC1 19754783 VGFBBWLZOJQNBS-QGZVFWFLSA-N 394.523 2.701 0 40 GFAB CC(C)C[C@H]1COCCN1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 163928206 MBDGONUKRGZIRN-FQEVSTJZSA-N 387.524 2.995 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 12157950 IDSXNVVPYROING-RHSMWYFYSA-N 387.461 2.601 0 40 GFAB O=C(NC[C@@H]1CCCO1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156633 NKWOFFQHKJBSDF-ZWKOTPCHSA-N 390.455 2.801 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)CCc3ccccc3)CC1)CNC2=O 12225891 IZRVQJMKZIFSRK-UHFFFAOYSA-N 394.471 2.811 0 40 GFAB COc1cc2c(cc1CN1CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C1)OCO2 12667600 FLVNFLWDBDEQCV-CQSZACIVSA-N 395.463 2.737 0 40 GFAB Cn1c(CNC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)nc2ccccc21 19289958 QMWDYKVEOXNAIU-UHFFFAOYSA-N 396.466 2.872 0 40 GFAB CN(C)CC1CCC2(CC1)CN(C(=O)CN1CCCC1=O)Cc1ccccc1O2 19581837 KRPVOWYNESFNNY-UHFFFAOYSA-N 399.535 2.521 0 40 GFAB COc1ccc(-c2ccc(SCC(=O)NC[C@H]3CCCO3)nn2)cc1OC 4355706 XVUZWIPAQGMHIR-CQSZACIVSA-N 389.477 2.548 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195845 PMRHHLFWZAKGPE-CQSZACIVSA-N 387.823 2.673 0 40 GFAB O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1ccco1 11737940 MMMMAFUHRAARFS-UHFFFAOYSA-N 386.408 2.870 0 40 GFAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2c(F)cccc2Cl)cc1 11739558 YHBXKECUAFSCEG-UHFFFAOYSA-N 377.803 2.597 0 40 GFAB CC(C)(C)C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 2055716094 YUWSLSSBNGFGRT-MBSDFSHPSA-N 398.551 2.699 0 40 GFAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(C)CC3)c(O)n2n1 22577844 QWSUQMKZFRFLRX-OAHLLOKOSA-N 375.473 2.535 0 40 GFAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)nc1 1775969248 GBVSVHDBQWEVCG-QGZVFWFLSA-N 375.494 2.882 0 40 GFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC(c2nnc3ccccn23)C1 2298243928 OOBIVNDHTWJCNI-UHFFFAOYSA-N 382.367 2.536 0 40 GFAB CC(=O)N[C@@H](C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1)C(C)C 36700856 CFCZBEIQKUERJZ-QGZVFWFLSA-N 389.477 2.870 0 40 GFAB Cc1cccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@H]43)n2)c1 101277473 ZEPNXIUTZSOGPU-IRXDYDNUSA-N 388.387 2.538 0 40 GFAB COc1ccc(CCNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 40098481 ZMIOUYUZWCPVSY-UHFFFAOYSA-N 391.493 2.618 0 40 GFAB CC(=O)c1ccc(OCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 40001110 WWAOWGAEAYRKIM-KRWDZBQOSA-N 378.432 2.717 0 40 GFAB O=C(Nc1ccccc1CN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 40156884 LRTHUANMSCISFI-HXUWFJFHSA-N 393.487 2.506 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCc3sccc3[C@H]2C)cc1 30549483 JXDNQMHBELFUMM-CYBMUJFWSA-N 378.519 2.735 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)n2)n1 40283859 RVCAHXRJMJXTGR-UHFFFAOYSA-N 392.246 2.991 0 40 GFAB COc1ccc2cc(CNC(=O)CNC(=O)c3ccccc3OC)ccc2c1 11125653 XDSUFNUCMSPZSE-UHFFFAOYSA-N 378.428 2.903 0 40 GFAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 67286873 SBDDXNPDJZUNFM-QGZVFWFLSA-N 375.494 2.675 0 40 GFAB COc1cc(OC)cc(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 932290 UWFCIFIOEDDEKQ-STQMWFEESA-N 391.497 2.561 0 40 GFAB CSc1ccccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccsc1 31549415 PVJJLSWBSVTRAD-UHFFFAOYSA-N 391.518 2.687 0 40 GFAB O=C(O)c1ccc(Nc2nc3nonc3nc2Nc2ccc(C(=O)O)cc2)cc1 3021139 VVOFFCZMXTZMSM-UHFFFAOYSA-N 392.331 2.896 0 40 GFAB COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NC[C@@H]2CCCO2)cc1 4889887 MWEQCFWBMURFCJ-RDJZCZTQSA-N 375.446 2.950 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 7871992 KWVLWABTIPIQDA-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB Cc1ccc(-c2noc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)n2)cc1 8192982 BHPFMPWCJYSENA-NRFANRHFSA-N 390.399 2.775 0 40 GFAB O=C(Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8429384 BXWYCKPAEVNSOJ-UHFFFAOYSA-N 381.404 2.503 0 40 GFAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8570085 FRKVNNFEEZPFJN-SECBINFHSA-N 390.745 2.880 0 40 GFAB CN(CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1)S(C)(=O)=O 46128280 UOVLZIOPWYTSNX-UHFFFAOYSA-N 379.507 2.519 0 40 GFAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1ccc2c(c1)CCCC2 8314571 SLXRXWVPZUIJJF-UHFFFAOYSA-N 396.468 2.843 0 40 GFAB CC(C)[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1 32899729 CNUCZWHQBDVVFQ-IBGZPJMESA-N 383.423 2.733 0 40 GFAB Cc1ccc(CCC2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 32895798 AGVPLWWAKNVWBO-HDICACEKSA-N 380.554 2.994 0 40 GFAB CCN(CC)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)Cc1ccccc1 29917343 VZEKVZRSQVFVGE-HXUWFJFHSA-N 382.508 2.538 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1OCC 8479842 XXEUULGILMERTD-UHFFFAOYSA-N 379.434 2.691 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2N2CCCC2=O)CC1=O 21600075 NUYKRVQCDZWRFB-OAHLLOKOSA-N 393.443 2.814 0 40 GFAB O=Cc1cc(Br)c(OC(=O)N2CCOCC2)c(Br)c1 969425 XEVKNNOIPBMAIZ-UHFFFAOYSA-N 393.031 2.855 0 40 GFAB Cc1ccc(CCC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1 22144108 GINXESNBMLVMQW-UHFFFAOYSA-N 392.565 2.838 0 40 GFAB CN(Cc1ccccc1F)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 23484411 FUUFSJGHUCSYGS-UHFFFAOYSA-N 381.407 2.734 0 40 GFAB NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 106696916 DKRDWPDNTJIMPJ-SXGWCWSVSA-N 386.404 2.926 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(Cn2ccnc2)c1 25173237 MOEHZRYSWGQMPD-UHFFFAOYSA-N 381.461 2.696 0 40 GFAB CNC(=O)c1nn(-c2ccc(F)cc2)s/c1=N\C(=O)c1ccc(Cl)cc1 1409907 VRSUAYBINUDEBM-FXBPSFAMSA-N 390.827 2.827 0 40 GFAB O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CCCCN1C(=O)c1cccs1 12528367 LUCUSCLPQVTQRQ-OAHLLOKOSA-N 381.461 2.962 0 40 GFAB Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c2c(C)nn(C)c2n1 57275850 KZRDUDYHRKJKMF-OAHLLOKOSA-N 381.455 2.981 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 26536317 IQGSZMBUYNTRJC-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C2CC2)no1 44711952 MQYYZJMOVMDSMG-HNNXBMFYSA-N 387.436 2.627 0 40 GFAB CCCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2115403 KKTJCTPNRSKSHJ-UHFFFAOYSA-N 387.432 2.838 0 40 GFAB biogenic CCCN(Cn1nc(-c2ccccc2)n(CC)c1=S)[C@@H]1CCS(=O)(=O)C1 12792326 CJQJVRLBRXABJI-MRXNPFEDSA-N 394.566 2.958 0 40 GFAB COc1ccc(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)cc1 58434945 ZWEQGMIMRPJVFQ-SFHVURJKSA-N 381.476 2.574 0 40 GFAB NC(=O)[C@@H]1CCCN(CCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 58426504 VTESGGWEJMGWFB-MRXNPFEDSA-N 391.943 2.855 0 40 GFAB Oc1nnc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@@H]2c1cccnc1 111999975 IGJLTTQDYOYYJL-OAHLLOKOSA-N 378.783 2.579 0 40 GFAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)c2cccs2)CC1 12760147 PJKYWFOBCAUDQM-GFCCVEGCSA-N 379.432 2.811 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1ccc(F)cc1Cl 12752872 QPOBYDHBVYSXOQ-UHFFFAOYSA-N 381.816 2.815 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20462349 FQCOCQOYNZLEMT-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2 12924983 XTEXKYWWHMKNFM-SNVBAGLBSA-N 376.796 2.616 0 40 GFAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2nccs2)CC1 12973672 YNINLDQQAJWFBL-UHFFFAOYSA-N 378.306 2.961 0 40 GFAB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)NCCc1ccc2c(c1)OCCO2 12925759 FMEONUCTRXWKLQ-LJQANCHMSA-N 395.377 2.957 0 40 GFAB CCc1ccc([C@H](CNS(=O)(=O)c2ccc(NC(C)=O)cc2)N(C)C)cc1 16088127 DLVLYXAYDOSHSP-FQEVSTJZSA-N 389.521 2.789 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1OC 4086221 QKAPBMOWKAEZIO-UHFFFAOYSA-N 397.427 2.992 0 40 GFAB biogenic O=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1 7951929 MJBCQKCIMRVJKP-UHFFFAOYSA-N 391.265 2.882 0 40 GFAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n12 49407144 LUJBIOHIXIVGOI-UHFFFAOYSA-N 395.369 2.783 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2n1 6203149 YWLNQMOJVZMDBT-UHFFFAOYSA-N 394.218 2.843 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 8156545 NBWSAANHWUVDBW-UHFFFAOYSA-N 382.445 2.649 0 40 GFAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1cccc2ncccc12 14076714 GYOGSPYIMZDGPW-UHFFFAOYSA-N 378.417 2.647 0 40 GFAB CCc1nc2sc([C@H](c3ccco3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854162 LOKMBRNYDLBEAQ-AWEZNQCLSA-N 390.465 2.580 0 40 GFAB COc1ccc(N/C(C)=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 5624715 WRRLOOLERXMPBW-AQTBWJFISA-N 395.415 2.668 0 40 GFAB C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 5830787 HGVUIGDBXNKVPJ-QMMMGPOBSA-N 382.750 2.901 0 40 GFAB Cc1sc(NC(=O)[C@H](C)Sc2nc(N)cc(=O)[nH]2)nc1-c1ccccc1 4911127 CPQLERJPSHACJL-JTQLQIEISA-N 387.490 2.903 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1F 18149040 XBIDTGQKFRLGOA-TXEJJXNPSA-N 395.228 2.868 0 40 GFAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccccc2OC)ccc1OC 408585590 GRJBGXBLIAOTQK-UHFFFAOYSA-N 394.449 2.751 0 40 GFAB CC(C)c1ccccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 9155712 IFYYNMTZSIWRAM-UHFFFAOYSA-N 377.444 2.820 0 40 GFAB O=C(c1cc2c(F)cccc2s1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9582084 UMUHCWUMAZCYCE-OLZOCXBDSA-N 397.493 2.849 0 40 GFAB C[C@@H](OC(=O)c1ccc(N2CCOCC2)cc1)c1nc2ccccc2c(=O)[nH]1 84647200 NRVNTFYWZUHMAG-CQSZACIVSA-N 379.416 2.678 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCCc1nnc2n1CCCC2 95448408 XOURMOYRBSKTLS-UHFFFAOYSA-N 381.484 2.611 0 40 GFAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)Nc1nnc(C2CC2)s1 79059879 PMQNXFBDIDAMLJ-CQSZACIVSA-N 385.493 2.628 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 408552721 NDLRREKBRXVRFP-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CC[C@@H](C)CS(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 502435791 BYPZYAPPYMTWKU-BXUZGUMPSA-N 394.415 2.656 0 40 GFAB C[C@@H]1CN(C)C[C@H](c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)O1 527544910 NIZGTZDXWOMDGJ-IAQYHMDHSA-N 375.379 2.516 0 40 GFAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3C(=O)O)CC2)c(C)s1 563278480 VWBPDEVHPJSWAS-UHFFFAOYSA-N 394.518 2.570 0 40 GFAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)cc(Oc2ccc(F)cc2)n1 72384131 JFHFJNLAHIVHRN-KRWDZBQOSA-N 386.427 2.906 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccccc1OC 57731105 ZKTQTESSNWAHSO-LJQANCHMSA-N 387.480 2.598 0 40 GFAB COc1ccc(Nn2c(N)nn(CC(=O)c3ccc(C(C)=O)cc3)c2=S)cc1 36625724 PUVMIDURVAIPSN-UHFFFAOYSA-N 397.460 2.966 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)NCc2nnc3ccccn23)c(Br)c1 40143895 PUQUORJEWYCVCC-GFCCVEGCSA-N 389.253 2.884 0 40 GFAB COCc1nnc(NC(=O)CN2C(=O)c3ccccc3N[C@@H]2CC(C)C)s1 49550943 HOEMUCAQASFAMS-AWEZNQCLSA-N 389.481 2.563 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222414401 VMTQQDXMOKSFDT-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225975847 XEGUZHKXCLRNIE-CQSZACIVSA-N 376.478 2.511 0 40 GFAB CCOc1ccccc1CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222559238 USNRTVZMCAMENU-UHFFFAOYSA-N 388.489 2.945 0 40 GFAB CN(C)CCCNC(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96038002 ACMWYHYVUVZSMU-UHFFFAOYSA-N 388.475 2.869 0 40 GFAB Cc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 96112814 DCSGQKXMQHRCSA-INIZCTEOSA-N 385.489 2.609 0 40 GFAB biogenic,in-vitro CCN(CC)C(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 96053501 AUSDYHFLXAYTFJ-INIZCTEOSA-N 394.537 2.605 0 40 GFAB CC1(C)C[S@](=O)CCN1Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 585081611 WDIZOUFEVFCWCB-MUUNZHRXSA-N 399.491 2.868 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)CCn1cc(C(C)=O)c2ccccc21 252539839 OMUKGLZUVGRIJM-MRXNPFEDSA-N 376.478 2.645 0 40 GFAB C[C@H]1Cc2ccccc2N(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 591279289 VMRWGVYLSQTPCA-HNNXBMFYSA-N 377.444 2.977 0 40 GFAB COc1ccc(Br)c([C@H](CO)N(C)C(=O)Cc2cnccc2C)c1 615747896 GLWDTDHJLMEFFM-KRWDZBQOSA-N 393.281 2.896 0 40 GFAB C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 630195867 VSKDQUYJRLUIRA-ZEDHKUJTSA-N 396.281 2.889 0 40 GFAB CN(C)c1ncc(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cn1 654022421 BTQZKXSNXTWGRW-UHFFFAOYSA-N 377.452 2.897 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)c(F)c3)no2)c1=O 823024253 ILUSPPHWRWYKFT-UHFFFAOYSA-N 398.369 2.950 0 40 GFAB CC[C@@H]1CN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594901 FJAOQJVJDBGTGG-DDUZABMNSA-N 399.894 2.662 0 40 GFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 12688757 NGFVESDQCVCMAN-UHFFFAOYSA-N 386.473 2.571 0 40 GFAB COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)cc1OC 16756111 LSBWEWCIYCCYJV-UHFFFAOYSA-N 382.449 2.845 0 40 GFAB O=C1C[C@H](C(=O)N2CCCC[C@H]2CN2CCCCCC2)CN1Cc1cccnc1 19338792 SPQMOLBGUTZBLL-SFTDATJTSA-N 398.551 2.687 0 40 GFAB CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1 19367211 AKZILUGDNWFZAX-HXUWFJFHSA-N 380.496 2.829 0 40 GFAB O=C(Cc1ccccc1F)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12407973 SHUKJZQSXPWNNY-UHFFFAOYSA-N 382.395 2.925 0 40 GFAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NC[C@H]2CCCO2)n1 6009400 PFEMKPJEXSWGEA-LLVKDONJSA-N 382.873 2.521 0 40 GFAB O=C(c1ccc(O)nc1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897028 KMTODFBRDSFBIK-UHFFFAOYSA-N 393.447 2.639 0 40 GFAB CCOC(=O)[C@@H](C)Sc1ncnc2c1nnn2Cc1ccc(Cl)cc1 4166562 OZZDEANNGZBXLN-SNVBAGLBSA-N 377.857 2.967 0 40 GFAB COc1ccccc1CNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 9661327 LLCMKUHLPAFKTE-UHFFFAOYSA-N 388.427 2.614 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NC1CCCCC1 9828683 BYHWAOCEKCRWBQ-UHFFFAOYSA-N 379.507 2.935 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 575619470 FPHXDMGDMQFAEO-QGZVFWFLSA-N 383.423 2.607 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2nccnc2-c2cccnc2)cc1F 585150406 KBLNJXXNWYMGCV-UHFFFAOYSA-N 388.424 2.555 0 40 GFAB COC(=O)c1ccccc1C(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575613787 UEZXLKFECGDSJH-ZDUSSCGKSA-N 375.812 2.600 0 40 GFAB CN1CCC[C@H](C(=O)N2CCc3nc4ncc(Br)cc4cc3C2)C1 2298048615 NBVWIPSBCUUHEA-LBPRGKRZSA-N 389.297 2.619 0 40 GFAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccccc3)ccc12 2712262 XRDDYYDETRJEJJ-HNNXBMFYSA-N 394.427 2.971 0 40 GFAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCCC3)C[C@H]2NCc2ccccc2)[nH]1 2332241764 CZSKFFSXFXWCHF-UYWIDEMCSA-N 396.535 2.778 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccccc1F)C2=O 39985691 KSQOIXHPFDLCQB-CZDRUDQFSA-N 378.444 2.594 0 40 GFAB CC(C)COc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl 30187988 XECDOANVGSROPB-UHFFFAOYSA-N 388.917 2.985 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(C)cc2)c1 100166081 XYGKUGZWLMVTJR-UFYCRDLUSA-N 377.444 2.539 0 40 GFAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 100563736 UHIKKLARGMKIGC-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB CCOC(=O)c1cc2oc(C)cc2n1CC(=O)NCc1ccc2c(c1)OCO2 1337908 KWMRBQKYJSKNBG-UHFFFAOYSA-N 384.388 2.765 0 40 GFAB COc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1 2696964 YNMNUOHYAOOIQM-UHFFFAOYSA-N 378.469 2.962 0 40 GFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O 6948397 NPXBMBCYYABOBM-YBEGLDIGSA-N 392.477 2.917 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)N1CCC[C@@H]1Cc1ccccc1 45967881 OROXQQINFHHLEI-HXUWFJFHSA-N 380.492 2.835 0 40 GFAB CCNC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 8129889 NHPWYFIVGVXRTF-NRFANRHFSA-N 395.459 2.939 0 40 GFAB COC(=O)c1c(SCC(=O)c2cc(C)n(C(C)C)c2C)nc(=O)[nH]c1C 32747400 HMNNBRZGKVPEFS-UHFFFAOYSA-N 377.466 2.839 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)Cc1cccc2ccccc12 32731608 NKBZGPJXFZLACD-UHFFFAOYSA-N 390.439 2.886 0 40 GFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102269363 GJIZYYRNJNOOIH-GASCZTMLSA-N 382.382 2.839 0 40 GFAB Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc12 102399928 AVPSMGLZCKEANB-HOTGVXAUSA-N 383.400 2.572 0 40 GFAB Cc1cc(CNC(=O)c2cccc(S(=O)(=O)NCC(C)C)c2)ccc1F 32865088 UVQPUUVFORKSTH-UHFFFAOYSA-N 378.469 2.998 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ccnc(OC2CCCC2)c1 41398113 LPGHBFJXLUJXAK-UHFFFAOYSA-N 392.459 2.738 0 40 GFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1 22133526 XOYNVZSTVNXMSB-STQMWFEESA-N 396.509 2.834 0 40 GFAB Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1C 20245098 MSMIGGZITYBGKT-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 24976783 FPUUWFYZQBLRJF-UHFFFAOYSA-N 385.427 2.840 0 40 GFAB COc1ccc(C[C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 12477037 OSJFQOGIKDNPQW-FUHWJXTLSA-N 385.460 2.955 0 40 GFAB biogenic Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSc3nnc(C4CC4)n3C)c12 25057524 KLTVPTAFHUCXDV-UHFFFAOYSA-N 376.463 2.894 0 40 GFAB C[C@H](C(=O)Nc1ccc(NC(=O)CCOc2ccccc2)cc1)n1cncn1 25299699 JNPSOBPNRNIGRT-OAHLLOKOSA-N 379.420 2.885 0 40 GFAB COCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 22275341 QXHYGLOMYPBMFZ-UHFFFAOYSA-N 390.505 2.570 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc3ccccc3n2)C1=O 12557991 DBKINKIWMQYAFB-NRFANRHFSA-N 375.384 2.931 0 40 GFAB CS(=O)(=O)CCSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 57864363 GOLWEGKOQUHMTD-UHFFFAOYSA-N 386.930 2.658 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3F)sc2c1 3184217 QKGZTVRTJLRWMQ-UHFFFAOYSA-N 380.422 2.856 0 40 GFAB O=C(COC(=O)Cc1ccc(Br)cc1)NCCc1ccccc1 3245426 OCTICPQZDHBMPC-UHFFFAOYSA-N 376.250 2.894 0 40 GFAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(CCO)C3=O 2230638 KFPXUCHFTGBOTE-KRWDZBQOSA-N 385.803 2.998 0 40 GFAB COc1ccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1S(N)(=O)=O 12623449 KWTOEZWDZKHGRD-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C)cc1OC 3348742 UBBASVAKNAYWJP-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CS(=O)(=O)c1ccc(F)c(NC(=O)CCc2nc(-c3ccsc3)no2)c1 12750296 GSGZEPXGIWUCMK-UHFFFAOYSA-N 395.437 2.912 0 40 GFAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 12786002 LJZJMCLFFYVHGI-HNNXBMFYSA-N 375.432 2.885 0 40 GFAB CC(C)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 12850075 SVSZNXCUABBODT-NRFANRHFSA-N 394.471 2.934 0 40 GFAB CC[C@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 3446601 JMLUVSGEFFHXIF-INIZCTEOSA-N 398.415 2.843 0 40 GFAB CCOc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)C(C)C 3517727 IIXMJNRYAYRONA-FQEVSTJZSA-N 398.459 2.885 0 40 GFAB CCc1ccc(C(=O)CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)cc1 5223199 UJMXROXJAUIBBN-QFIPXVFZSA-N 380.444 2.994 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(F)cc1F 8980431 VHUXPXPNHDKCKF-ODXCJYRJSA-N 387.386 2.609 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 14199483 UBBZUKGYHPNVJD-MRXNPFEDSA-N 379.460 2.729 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 14246041 ZFYOOIGNLNNLNE-UGSOOPFHSA-N 396.399 2.549 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1 23777978 NSOMXWKUAOEHKD-LJQANCHMSA-N 378.407 2.963 0 40 GFAB Cn1ccnc1C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 4864583 CSDFLTVOZLNIEZ-UHFFFAOYSA-N 381.457 2.793 0 40 GFAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cc4ccccc4C)c(=O)c3c2=O)n1 18063693 YOBPTMVMELMRRF-UHFFFAOYSA-N 375.432 2.622 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(O)cc2)c1 7035991 AEHHURSKLBXBHD-GFCCVEGCSA-N 383.433 2.690 0 40 GFAB CCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc2c(c1)OCO2 7753906 KAGXIBOWBZWSMO-UHFFFAOYSA-N 384.432 2.640 0 40 GFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(N2CCCC2)cc1 16278499 BDMQAPQAESMIIV-UHFFFAOYSA-N 382.395 2.881 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cc(F)ccc2F)c1 7919795 LWWIWYMTLBYNKF-UHFFFAOYSA-N 386.445 2.946 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccnn1Cc1cccs1 7986384 YAJWEWABJYVNGF-UHFFFAOYSA-N 375.475 2.957 0 40 GFAB CCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c(=O)c2cc3c(cc21)OCO3 71281402 VBTKXEILRLFDBT-UHFFFAOYSA-N 394.383 2.789 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC1 9196628 WUUKPTKDFFSCRA-UHFFFAOYSA-N 382.844 2.722 0 40 GFAB Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 9226785 VMJRHYDFXPVXLK-IBGZPJMESA-N 381.432 2.511 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)n(C2CC2)c(=S)[nH]c1=O 9358587 ORPMCKAUIJLIMF-INIZCTEOSA-N 384.461 2.671 0 40 GFAB biogenic O=C1c2ccccc2C(=O)N1c1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12 9330667 XSNQWXMAYZNSIE-UHFFFAOYSA-N 391.774 2.539 0 40 GFAB COc1ccccc1CNC(=O)CCSc1nc(Cl)nc2nc[nH]c12 9421473 IAIPTFILUYBXAZ-UHFFFAOYSA-N 377.857 2.814 0 40 GFAB COc1ccccc1NC(=O)CS(=O)(=O)c1ccc(Br)cc1 19823176 MANVTPLXRPKTQB-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1 9839938 BWFKUYDUBUFVCD-UHFFFAOYSA-N 378.431 2.700 0 40 GFAB CCOCCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 409328558 XNUCSBVPSICCMQ-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2nccc3ccccc23)c1OC 72330301 NBPZGKZXAWBAOH-UHFFFAOYSA-N 380.400 2.725 0 40 GFAB C[C@H]1CN(CCCCNC(=O)Nc2nncc(-c3ccccc3)n2)C[C@H](C)O1 79064355 PETRIQHVCFBIEN-HOTGVXAUSA-N 384.484 2.550 0 40 GFAB NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)c1 79482907 DCQYDJQTYHFYKA-UHFFFAOYSA-N 377.356 2.954 0 40 GFAB COc1cc(CN[C@H]2CCCC[C@H]2C)c(Br)cc1OCC(N)=O 36612921 NPUKXFKRXBBWAV-RISCZKNCSA-N 385.302 2.990 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)C(=O)Cc2ccccc2)CC1=O 89271970 SLQCMSARPLVTMK-FUHWJXTLSA-N 394.471 2.755 0 40 GFAB Cc1ccc(-c2cnc3n2C2(CCN(C(=O)c4cnccn4)CC2)COC3)cc1 306133367 MJQYGBYFXGTFKW-UHFFFAOYSA-N 389.459 2.810 0 40 GFAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 306145108 ZYKYTVFMTKOQFP-CTNGQTDRSA-N 383.517 2.750 0 40 GFAB O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]21 306129124 HVCBCEUSPKROKP-PKOBYXMFSA-N 391.450 2.576 0 40 GFAB Cc1ccccc1NC(=O)Cn1nc(-c2cnn(C)c2)cc1-c1cnn(C)c1 36611555 GIKNRXQBZHRAIZ-UHFFFAOYSA-N 375.436 2.631 0 40 GFAB CCCc1c(C(=O)N2CC(=O)N(C)[C@@H](C)C2)nnn1-c1cccc(C(C)C)c1 506522165 GUZRGXVAFZBURM-HNNXBMFYSA-N 383.496 2.646 0 40 GFAB Cc1ccc2[nH]c(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)nc2c1 38554810 RHQJEJAPECCACW-UHFFFAOYSA-N 379.420 2.954 0 40 GFAB CC(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCCN3CCCC[C@H]23)C1 32124243 DCUIBMSSBAZLCQ-QFBILLFUSA-N 395.507 2.601 0 40 GFAB biogenic COCCNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O 217586090 JOFISHCLSUKUQU-UHFFFAOYSA-N 382.482 2.612 0 40 GFAB CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc(C(N)=O)nc3)CC2)cc1 124057648 UYSXGGRPEKVGLH-UHFFFAOYSA-N 380.492 2.877 0 40 GFAB CCCc1nc(C)sc1C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 72402383 FKTHJEIDRYIKQS-LBPRGKRZSA-N 382.511 2.521 0 40 GFAB Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1ccncc1)C2 14541811 CXYLGAALRJCUQW-QGZVFWFLSA-N 393.466 2.531 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 70922249 IUOJDBUFOGLAAQ-UHFFFAOYSA-N 395.912 2.939 0 40 GFAB C[C@@H](Nc1ccc(N2C[C@H](c3ccccc3)[C@@H](C(N)=O)C2)nn1)c1ccccc1 567719959 BGGIQDWSEYEXGK-AHRSYUTCSA-N 387.487 3.355 0 40 GFAB CCCC(=O)Nc1cccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)c1 44664073 NZWDNEFIZCFUDC-UHFFFAOYSA-N 394.479 2.729 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220327689 ATKVCRRONCKTNB-CQSZACIVSA-N 392.477 2.805 0 40 GFAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)Cc1ccccc1F 225584046 PEOIELDYOOAZQY-UHFFFAOYSA-N 388.468 2.685 0 40 GFAB CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 585081597 YLULNHDULWDJKX-QGZVFWFLSA-N 392.931 2.859 0 40 GFAB CO[C@@]1(CO)CCCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1 617792857 HVWCXQZPTNYTME-QFIPXVFZSA-N 379.460 2.947 0 40 GFAB O=S(=O)(NCCCCn1ccnc1)C1=Cc2cc(F)cc(Cl)c2OC1 1654794654 KMODSGJCFGRSQM-UHFFFAOYSA-N 385.848 2.809 0 40 GFAB CN1CC[C@H](NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1=O 646023314 RFRXYKAKOWUPHC-LBPRGKRZSA-N 375.469 2.964 0 40 GFAB CN(C)[C@H]1C[C@@H](CNC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 654066771 IGGNNCNUJNBKMA-JNSHFYNHSA-N 383.414 2.902 0 40 GFAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1nnn([C@@H]2CCNC2)c1C 662792545 WBEFKIYUPLUBHM-HXUWFJFHSA-N 390.491 2.667 0 40 GFAB Cc1cccc2nc(CCNC(=O)N3CCN(C)C[C@@H]3Cc3ccccc3)cn12 651175707 IGLTZSGLCNYDDA-NRFANRHFSA-N 391.519 2.754 0 40 GFAB Cc1c(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)oc2ccccc12 575405635 SUPQXEZZMYPWNR-OAHLLOKOSA-N 379.416 2.984 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)nc(C)n1 585147481 SQTYBTPGVWTSLD-SFHVURJKSA-N 377.448 2.881 0 40 GFAB CCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(OC)cc2)n(C)c1=O 5083033 KBKXXCJSFHFHKD-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB COc1ccc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nn1 5204229 IIKHLAWJPWUQFD-UHFFFAOYSA-N 399.428 2.724 0 40 GFAB CC(C)C[C@@H](NC(N)=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 12906376 XPTYEVYYBRYXKA-MRXNPFEDSA-N 384.484 2.693 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 13674029 LVQIDEJGSYGLHU-UHFFFAOYSA-N 390.505 2.730 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1 18091466 VQQFJTGEJNDMHP-UHFFFAOYSA-N 378.476 2.818 0 40 GFAB CNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)C2CC2)CCO1 19235345 JGWPEFVTYKRZAS-DEOSSOPVSA-N 392.499 2.958 0 40 GFAB COc1ccccc1CN1CCN(c2ccccc2[C@H](O)c2nccn2C)CC1 19291349 NRXDQVFEVSWFIP-QFIPXVFZSA-N 392.503 2.833 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19499410 XLMPTCJXRPZZNA-QZTJIDSGSA-N 384.455 2.783 0 40 GFAB CNc1cc(CN(C)C(=O)c2cccc3ncccc23)nc(C2CCNCC2)n1 19710159 MLJJXOPBHQKTSM-UHFFFAOYSA-N 390.491 2.806 0 40 GFAB O=C(O)c1cccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c1 16901032 GKFPPSPLCXLPCV-CQSZACIVSA-N 389.205 2.891 0 40 GFAB O=C(Cc1ccc(Br)cc1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 820280363 OOAIGBZVJCOJHJ-GJZGRUSLSA-N 375.270 2.978 0 40 GFAB C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 31664825 QATJGGSECKRIFO-GFCCVEGCSA-N 394.415 2.767 0 40 GFAB O=C1[C@@H](N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)CCN1C1CC1 1776001357 OMCOGFBMOXKYFL-NRFANRHFSA-N 392.503 2.998 0 40 GFAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)N1CCc2ccccc21 2037916181 TYEFRBZCKYTAQB-JOCHJYFZSA-N 384.451 2.621 0 40 GFAB CCCCN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C 5148193 XMNSPRMIYMDTND-UHFFFAOYSA-N 388.516 2.719 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N)cc1 5257401 FXGZAXNWUQDNAT-UHFFFAOYSA-N 383.477 2.712 0 40 GFAB Cc1ccc(S(=O)(=O)NC(C)C)c(C)c1N(C)S(=O)(=O)c1ccccc1 7636131 MWNIOBJIYACXFY-UHFFFAOYSA-N 396.534 2.815 0 40 GFAB COc1cccc(N2C[C@H](CNC(=O)C(=O)c3c[nH]c4ccccc34)OC2=O)c1 9106460 ALVPBUBKMDJURR-HNNXBMFYSA-N 393.399 2.501 0 40 GFAB Cc1cccc(CN2CCC[C@@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)c1 2055771724 SLOAEFMGIHZHDD-GOSISDBHSA-N 380.414 2.861 0 40 GFAB O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1Cl 23127830 UDKRSMSGYJVBLR-INIZCTEOSA-N 376.815 2.809 0 40 GFAB CCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc(F)cc3)nnc12 35528431 OQEYCHFWTBKJOD-UHFFFAOYSA-N 399.451 2.514 0 40 GFAB CCn1cc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 5266071 BFZVKMRWHANGMM-UHFFFAOYSA-N 386.477 2.673 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCOC1)c1ccc(Cl)cc1 40089174 WRPAFHPQCHPXMQ-APWZRJJASA-N 386.879 2.834 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(-c3cccnc3)on2)cc1 40105288 HXJYJDHCOVJJKO-HXUWFJFHSA-N 392.459 2.848 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 11099135 ABEVFNZNDOZQAW-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 1324635 PSBUYJXUXCNXSV-UHFFFAOYSA-N 390.461 2.644 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 4884345 ZHXAWZNTRJKHDX-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB COCCCN1CNC2=N[C@@H](c3cccs3)n3c(nc4ccccc43)N2C1 20650579 OSQRKXPNPXBOOT-QGZVFWFLSA-N 382.493 2.677 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc(OC)c1 20943094 GRZYSUSONCGBHY-UHFFFAOYSA-N 376.434 2.779 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCC(=O)N1CCCC1 57621775 UTOVPHDOFTUXOF-UHFFFAOYSA-N 378.835 2.716 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)NC(C)=O)cc1 21305436 AFLQTWZEUSOWPB-QGZVFWFLSA-N 398.415 2.833 0 40 GFAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1cccc(C(=O)NC2CC2)c1 32858069 HSTBAJBMQSBBCR-IBGZPJMESA-N 380.444 2.966 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3CCCC3)nnc12 9117787 LESKRDLPAJCYCI-CYBMUJFWSA-N 385.493 2.557 0 40 GFAB O=C(c1cc(Br)ccc1OC(F)F)N1CCN2CCC[C@H]2C1 2789657 QRYYYEGQDVYDTC-NSHDSACASA-N 375.213 2.971 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1F 41815796 TYFLBHBPXVDAPA-CQSZACIVSA-N 377.441 2.853 0 40 GFAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22778283 XQXDGNYGCSQWPD-GOSISDBHSA-N 395.503 2.753 0 40 GFAB C[C@H]1CCN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)c2ccccc2S1 23044971 DOFMNYVGTBEKMX-ZDUSSCGKSA-N 384.457 2.860 0 40 GFAB CCOc1c(Cl)cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1OC 102964683 ORACJEBIRYAUTN-IEPNIYFGSA-N 395.908 2.722 0 40 GFAB COc1ccc(CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C2CC2)cc1 23925692 GGQMQZBRWUSSMV-UHFFFAOYSA-N 393.443 2.552 0 40 GFAB COc1ccc(CCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 12409583 ZXKLQSPJUTVUGN-UHFFFAOYSA-N 383.404 2.735 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H](c1cccs1)N1CCCC1 24755162 FIGNNOYEHMYWTL-QGZVFWFLSA-N 396.516 2.871 0 40 GFAB Cc1ccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)n2)cc1 24752813 XRWLJOOQTWYPIL-CYBMUJFWSA-N 384.461 2.644 0 40 GFAB C[C@@H](Sc1nc2ncc(Br)cc2[nH]1)C(=O)NCC(F)(F)F 24752318 KIGSEWFRHYIBAJ-RXMQYKEDSA-N 383.193 2.880 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 7910416 VYWJMYWXZHXQED-UHFFFAOYSA-N 376.460 2.902 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3ccccc3)CC2)c1C 22930826 KMBIJASLAYYELI-UHFFFAOYSA-N 394.519 2.888 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)o1 44324675 VCZPVWXMKZMCJX-WBMJQRKESA-N 383.491 2.627 0 40 GFAB CN(C(=O)CCn1nc(O)c2ccccc2c1=O)c1nc2ccccc2s1 26964824 OPRCMIWHKYOHJF-UHFFFAOYSA-N 380.429 2.765 0 40 GFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1 12544750 PZOUKUNNLKIIPU-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(Cc2nc(C)c(C)o2)CC1 58218341 MJJUKCVGCXBCKA-GOSISDBHSA-N 377.872 2.977 0 40 GFAB CCOC(=O)CN(CC1CC1)C(=O)c1cccc(NC(=O)c2cccnc2)c1 58439752 GWGDPIIJMHDOOJ-UHFFFAOYSA-N 381.432 2.749 0 40 GFAB CCOC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 36386202 QHHLPXZCPYDGCE-UHFFFAOYSA-N 395.459 2.630 0 40 GFAB CNC(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCCCCC3)o2)cc1 36366801 ZOGOGDKTZVMGEY-UHFFFAOYSA-N 392.477 2.783 0 40 GFAB Cc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)n1 47947372 SACFUFLBICKEOG-HXUWFJFHSA-N 394.450 2.803 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 3375990 ZAULWQUCUMMAOH-FQEVSTJZSA-N 398.440 2.806 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 3320378 WSCIIZRUYMIGDU-UHFFFAOYSA-N 393.436 2.896 0 40 GFAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 3355108 VHECAFPNRWNOBA-IBGZPJMESA-N 379.460 2.587 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OC(F)(F)F)CC1 12787368 FXILDYBGLOJVGB-UHFFFAOYSA-N 380.388 2.585 0 40 GFAB C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 12805576 CQRRQPREUCKFSM-CQSZACIVSA-N 394.427 2.711 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 12985626 ONYYXGIXVGHJLM-CQSZACIVSA-N 396.443 2.844 0 40 GFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 12902607 PFBRADLIEALQLV-GCJKJVERSA-N 398.434 2.521 0 40 GFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCc1ccc2c(c1)OCO2 13020456 HMJMYYVRKKECKK-AWEZNQCLSA-N 389.473 2.971 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O 6051617 OVLJFBOLZHGEDI-CQSZACIVSA-N 395.415 2.577 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4cc(C)cc(C)c4)c(C)c(C)n23)n(C)c1=O 4250773 BYDSYQMQBZJBNK-UHFFFAOYSA-N 379.464 2.782 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2ccccc2n1 6145050 DBBXPFDWWMBIMM-UHFFFAOYSA-N 385.445 2.746 0 40 GFAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(OCc2ccccc2)cc1 24592407 BBHVDVFTGFGXFR-UHFFFAOYSA-N 393.487 2.758 0 40 GFAB CCCN(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 6561597 ROGWVGLYLJDWNY-UHFFFAOYSA-N 394.468 2.551 0 40 GFAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5557225 WDITZCBQFPAWQC-OQLYILNASA-N 396.487 2.896 0 40 GFAB Cc1ccccc1Cn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4734465 GDMPKAQYMNBYQX-UHFFFAOYSA-N 376.416 2.583 0 40 GFAB O=C1CCC(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)=NN1 8518768 RAMOGOCUEKIZIV-FQEVSTJZSA-N 384.363 2.743 0 40 GFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1Cl 4846639 IXVBQANKDMPAQA-UHFFFAOYSA-N 385.228 2.777 0 40 GFAB COc1cc(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc(OC)c1OC 6872029 UJPISQKENHWKFU-OAHLLOKOSA-N 387.432 2.553 0 40 GFAB Cn1ncc2c(N3CCC([C@@H]4CCCCCN4C(=O)C4CC4)CC3)ncnc21 69927906 JPVSKGWWWAZIHC-SFHVURJKSA-N 382.512 2.761 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2csc(C)n2)c1 7263914 ZBRMRNYBRYWGKV-UHFFFAOYSA-N 381.523 2.972 0 40 GFAB CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(C2CCOCC2)C3)c1C 71890363 MYZSEWOTIACDRJ-HNNXBMFYSA-N 397.523 2.641 0 40 GFAB O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ccn(-c2ccccc2F)n1 89821325 MQWQIFFOHCJKTE-OAHLLOKOSA-N 379.313 2.892 0 40 GFAB COCCCOC1CN(C(=O)c2cc(Br)cc(Cl)c2O)C1 72311773 FEMPEWVLMCOGMD-UHFFFAOYSA-N 378.650 2.686 0 40 GFAB Cc1nn(Cc2ccc(C(=O)Nc3ccn(C)n3)o2)c(C)c1Br 28230501 SEVVDFBUKOQTJS-UHFFFAOYSA-N 378.230 2.890 0 40 GFAB COC[C@@H](NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)c1ccco1 95945807 LASGVMHOTJCMRX-MRXNPFEDSA-N 392.415 2.639 0 40 GFAB COc1cccc2c1OCC(C(=O)N1CCC[C@H](c3n[nH]c(C4CC4)n3)C1)=C2 95980232 BOHPXTMKFYVWEI-HNNXBMFYSA-N 380.448 2.873 0 40 GFAB CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 95976287 PMAVFZHZWOVGPF-UHFFFAOYSA-N 396.491 2.648 0 40 GFAB Cc1nc(C)n(CCSc2nnc(SCCn3nc(C)nc3C)s2)n1 79020066 KYVGICWIXYJPLW-UHFFFAOYSA-N 396.571 2.539 0 40 GFAB CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)C1 79020885 ZVLKRPODUJQCEA-KRWDZBQOSA-N 381.476 2.871 0 40 GFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccs1 20802093 MGSGPSLUKLMXRY-SJORKVTESA-N 399.472 2.860 0 40 GFAB COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1NC(=O)OCc1ccccc1 306145290 ALQXTIWPFGWCMW-ZBFHGGJFSA-N 378.425 2.669 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)(C)C)cc1Cl 39986477 CDYWPLZOCHDHPE-UHFFFAOYSA-N 376.906 2.664 0 40 GFAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306140321 UPRKFLVGQDOYPL-HUUCEWRRSA-N 385.899 2.518 0 40 GFAB CC(C)c1ccc(CN(C(=O)CS(=O)(=O)CCC(C)(C)O)C2CC2)cc1 516978530 HCJMQOFNIOWHBK-UHFFFAOYSA-N 381.538 2.877 0 40 GFAB C[C@]1(c2ccccc2)CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CCO1 530327870 PTWHNJRRJKNOAH-GOSISDBHSA-N 394.518 2.609 0 40 GFAB CCOc1ccc(NC(=O)Cn2cnc3nc(SC)sc3c2=O)cc1 33020777 TYVLABFLDODJDU-UHFFFAOYSA-N 376.463 2.612 0 40 GFAB Cc1nc(C)c(F)c(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n1 535155355 CHMJFHHXZMMQOU-UHFFFAOYSA-N 377.851 2.647 0 40 GFAB O=C(N[C@H]1CCSC1=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099937 TXQWMVJKEQWALR-SFHVURJKSA-N 396.516 2.698 0 40 GFAB Cc1nc2nc3ccn(Cc4ccncc4)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398573 BIZLWVQNFGTYTB-UHFFFAOYSA-N 386.390 2.997 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 44884328 OJFMRNRODHVKHK-UHFFFAOYSA-N 388.489 2.651 0 40 GFAB COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 222879895 FFIQRYZGIBQXLO-UHFFFAOYSA-N 390.505 2.537 0 40 GFAB CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224637332 OREMHFMWPDGXCV-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB CCCSc1ncc(Cl)c(C(=O)NCC(=O)NCc2ccc(C)cc2)n1 46086869 LVYSRRHDEQEDOZ-UHFFFAOYSA-N 392.912 2.987 0 40 GFAB O=C(Cc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 77196649 XVTQFMWODLQLMV-UHFFFAOYSA-N 392.438 2.519 0 40 GFAB COc1ncccc1CN1CC2(C[C@H](OCc3csc(C)n3)CCO2)C1 248002862 CTSVZYOZMRNBDU-QGZVFWFLSA-N 375.494 2.805 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCCn2c(C)nc3ccccc32)[C@H]1O 257304413 SLNVUHOUUJOADF-SYYKKAFVSA-N 395.507 2.901 0 40 GFAB C=CC(=O)N(CC)CC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 1634932972 BEVFUNKHQAJPDZ-UHFFFAOYSA-N 396.447 2.515 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cn1)c1ccnn1CCc1ccccc1 621417100 MXZFZBGHNONCSM-UHFFFAOYSA-N 377.448 2.610 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)N3CCCC[C@H]3Cn3nc(C)cc3C)n2)cc1 602527478 CHIDAOHZHYIUTN-IBGZPJMESA-N 393.495 2.543 0 40 GFAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2CC1(O)CCN(c2cccc(C)c2)CC1 585282088 AFTUJGJDILYLDK-FGZHOGPDSA-N 385.552 2.802 0 40 GFAB Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(C)(=O)=O)cc1 1740816554 LFEAVZROKRALKY-UHFFFAOYSA-N 376.459 2.621 0 40 GFAB Cc1ccsc1/C=C/c1nc(-c2ccccc2O)n(S(=O)(=O)N(C)C)n1 5274346 SVWQLDIEMVSYHG-CMDGGOBGSA-N 390.490 2.846 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(F)c4)nc32)cc1C 5143552 QAAHWSVDCAVFBI-UHFFFAOYSA-N 377.379 2.631 0 40 GFAB CCc1nn(CC(=O)NCc2ccc(OC)cc2)c(=O)c2cc3ccsc3n12 12114285 JFGMVQDLGZOLMW-UHFFFAOYSA-N 396.472 2.598 0 40 GFAB COc1ccc(C2=NN(C(=O)[C@H](O)c3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 12473720 NWHYROFGMCUXAE-SJLPKXTDSA-N 394.349 2.616 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 14291500 SWZALCJVKCKDOQ-UHFFFAOYSA-N 397.836 2.855 0 40 GFAB Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3nc(O)sc3c2)c1 19291856 IAZIIHVDCFARFJ-UHFFFAOYSA-N 387.446 2.598 0 40 GFAB CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C 19523791 ZKWNKGBOFXJUKN-LLVKDONJSA-N 399.900 2.984 0 40 GFAB COCC(=O)N1CCC(O)(Cn2ncc3cc(Nc4ccccc4)ccc32)CC1 19592726 AFVCIVQIHYYFQR-UHFFFAOYSA-N 394.475 2.780 0 40 GFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCCCC1 19935394 GZKQVKXIMHNJJG-UHFFFAOYSA-N 386.901 2.516 0 40 GFAB CCOC(=O)COc1ccc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)cc1 7342561 ITZUBNNDTIOKHR-LCYFTJDESA-N 377.422 2.527 0 40 GFAB Cc1nc2sccn2c1CN1CCC[C@@H](c2ncccc2S(C)(=O)=O)C1 19555070 CEVHGWWFBXTBHK-CQSZACIVSA-N 390.534 2.882 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 3479419 SMGQINIVEPAJFU-GFCCVEGCSA-N 381.384 2.626 0 40 GFAB O=C(c1ccc2nccnc2c1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888922160 FWCXRJNXAAGQMH-YCRPNKLZSA-N 393.422 2.880 0 40 GFAB COc1ccccc1C1(C(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)CC1 1888941751 QGJDMXYPIXJLQD-LJQANCHMSA-N 377.444 2.762 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889229705 HFOMATNQELQORQ-UHFFFAOYSA-N 395.481 2.817 0 40 GFAB Cc1ccc(-c2nc(CSc3nnc(N4CCOCC4)n3C)cs2)o1 30975852 NTIDNHWWQZSRHU-UHFFFAOYSA-N 377.495 2.969 0 40 GFAB COC(C)(C)C(=O)N1CCO[C@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037834515 MOVJBZDYGWMOOB-AWEZNQCLSA-N 376.482 2.915 0 40 GFAB COc1ccc(/C=C\C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1OC 4497414 VAOQZUDZMQZAQP-FIRRRZPPSA-N 384.407 2.778 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1N1CCCC1=O 5329287 AUROINZGJQRPMD-UHFFFAOYSA-N 388.445 2.694 0 40 GFAB COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1 22794406 QMTHCEPPMQCAJZ-FQEVSTJZSA-N 387.549 2.794 0 40 GFAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)OCc1ccccc1 22851141 QBEONJGBMVKFBO-SFHVURJKSA-N 384.432 2.715 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(COc3ncccn3)CC2)cc1Cl 1775969891 QTUXFTPHHKPNGO-UHFFFAOYSA-N 397.884 2.618 0 40 GFAB CCCCCCNc1nc(OC)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100148237 KPBXTYDTNKBTLS-HOTGVXAUSA-N 398.511 2.658 0 40 GFAB O=C([C@H]1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCC(F)(F)CC1 2086884616 VBMBGQBMCNFXNA-SECBINFHSA-N 385.358 2.625 0 40 GFAB C[C@@H](NC(=O)C(=O)NCc1ccc([C@H](O)c2ccco2)s1)c1ccccc1 206687096 MOEJXAAYJCEOQG-FZKQIMNGSA-N 384.457 2.916 0 40 GFAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1C(F)(F)F 44003743 FXMMCPBIRAYWSX-UHFFFAOYSA-N 390.427 2.639 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575611631 FBIUTWBMZLOSHQ-MRXNPFEDSA-N 399.401 2.839 0 40 GFAB Cn1cc(-c2nccnc2CNC(=O)Cc2cccc(C(F)(F)F)c2)cn1 575620141 PWKRFTKXDUTECL-UHFFFAOYSA-N 375.354 2.755 0 40 GFAB CCCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 4329673 KTRASJFXVHVJCE-UHFFFAOYSA-N 398.511 2.631 0 40 GFAB CCOC(=O)Cn1/c(=N/C(=O)C2CC2)sc2cc(Br)ccc21 100877290 MAZBZUWXFRKHTR-ICFOKQHNSA-N 383.267 2.866 0 40 GFAB CCOc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1OCC 40012256 RICVGGBDXGVHSY-YJBOKZPZSA-N 383.510 2.732 0 40 GFAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1 4161304 VAORILFRBQMIFM-UHFFFAOYSA-N 387.465 2.543 0 40 GFAB CCN1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)CC1 4489173 KCJZECQSRMHYBZ-UHFFFAOYSA-N 397.914 2.942 0 40 GFAB NC(=O)c1c(NC(=O)N2CCN(Cc3ccccc3)CC2)sc2c1CCC2 20624161 USEKOWYEOINZAG-UHFFFAOYSA-N 384.505 2.685 0 40 GFAB O=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)NCc1cccs1 53049094 KKZMUXWATJEYEO-UHFFFAOYSA-N 389.496 2.532 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3C(c4ccccc4Cl)=NO[C@H]3C2=O)cc1 101360735 XHJLRDJHRLTIKP-DOTOQJQBSA-N 398.802 2.809 0 40 GFAB COCCn1c(C)cc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c1C 2657537 XCPVSFJWINEPNR-FNORWQNLSA-N 385.416 2.919 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(O)cc3)CC2)cc1 21275410 GDZXBCNZDYPECS-HXUWFJFHSA-N 384.476 2.547 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 8312375 WFFUYBHXGXRFGA-UHFFFAOYSA-N 397.475 2.529 0 40 GFAB Cc1c(COC(=O)c2sccc2S(N)(=O)=O)noc1-c1ccc(F)cc1 10937267 IYNYERVSYYVQPV-UHFFFAOYSA-N 396.421 2.855 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC1CCCC1 22248442 VACNQCXHYHRLCB-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB COc1ccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1OC 41589931 ALWHXMJOJQRKTI-UHFFFAOYSA-N 395.459 2.737 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 47238926 AYEJELNRHZWLRL-MRXNPFEDSA-N 381.432 2.652 0 40 GFAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1cccnc1 780685 RTCAJVJMMOTJFC-UHFFFAOYSA-N 387.505 2.721 0 40 GFAB Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 24168957 CNYACSGOFKWYTH-UHFFFAOYSA-N 396.459 2.659 0 40 GFAB CC(C)[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1nc2ccccc2[nH]1 57681797 JUSOGPCYGYFCDU-SFHVURJKSA-N 375.436 2.730 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 102590058 VHQHLRDEWOJBSN-QNMCCXBYSA-N 391.254 2.985 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 52568817 VEZMJLFBOTYIIO-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB O=C(OCCOc1ccccc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 24650916 BFPNCPGJZFSFNM-QGZVFWFLSA-N 395.411 2.697 0 40 GFAB Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1C(F)(F)F 3292300 GMZWCFMPMOXQGL-UHFFFAOYSA-N 396.192 2.504 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)N1CCCC[C@@H]1c1ncc[nH]1 106538000 FSZMMYVIEZMSOX-LJQANCHMSA-N 383.496 2.679 0 40 GFAB COc1ccc(C(=O)NC[C@H]2CC[C@H]([C@@H](NC(C)=O)c3ccccn3)CC2)cn1 100750177 WXCYYCLLMXWUSE-LLGFUMIMSA-N 396.491 2.899 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)NCc1cccc2ccccc12 100466508 PLYFRCIGULBKGZ-GLRKZIRRSA-N 386.451 2.509 0 40 GFAB CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 20218739 DXEZGUFOUUWUGX-UHFFFAOYSA-N 390.837 2.744 0 40 GFAB CN(C[C@@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1)C(=O)OC(C)(C)C 58245157 CQJFDUJSHRTQGO-HNNXBMFYSA-N 376.501 2.867 0 40 GFAB COC(=O)c1cc2ccccc2cc1NC(=O)Cn1c(=O)n(C)c2ccccc21 58356883 YHJFECNLEQVORR-UHFFFAOYSA-N 389.411 2.919 0 40 GFAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 12789056 QVKSFPSUDOEDJA-LIRRHRJNSA-N 388.489 2.535 0 40 GFAB CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C 36370091 DNKLKBQDFQYTTF-UHFFFAOYSA-N 397.479 2.932 0 40 GFAB biogenic CCOc1ccc(CCNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1OCC 12772115 OTUAYVDTYJAMCQ-UHFFFAOYSA-N 385.420 2.594 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 10884175 NQISTQRBMPLUQU-MGPQQGTHSA-N 375.498 2.704 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CSc2ncn[nH]2)cc1 48332074 PONYZWLXUNGECO-HNNXBMFYSA-N 382.445 2.667 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12821106 PZBAFMNAOVSYNV-UHFFFAOYSA-N 390.447 2.829 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cccnc1Cl 3491379 FFFCJKDDAHBDHA-UHFFFAOYSA-N 390.856 2.759 0 40 GFAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C(=O)NC(C)(C)C 16867901 UKOWPDIJBQFGOL-GFCCVEGCSA-N 396.434 2.663 0 40 GFAB CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)CC1 38204483 ITPGVPBKOMDJSM-ZBFHGGJFSA-N 393.413 2.931 0 40 GFAB Cc1noc(CSc2ccccc2C(=O)OCC(=O)Nc2cc(C)on2)n1 13008028 ZXJMBFNUKLLTIB-UHFFFAOYSA-N 388.405 2.762 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3cccnc3)C[C@H]21 306129082 HTYSEFLFGYCLCU-PZJWPPBQSA-N 377.469 2.899 0 40 GFAB CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccs2)c(S(C)(=O)=O)c1 65513989 DWHISTGVYSBQKP-CYBMUJFWSA-N 385.532 2.897 0 40 GFAB COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1Cl 20245657 MYBIGAGLMIHLHA-UHFFFAOYSA-N 397.884 2.844 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2n1-c1ccc(OC)cc1 4829948 UXUGQPBEVOHYQH-LBPRGKRZSA-N 384.461 2.970 0 40 GFAB CCCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)nc(O)c2C1 67291743 OPABXLSYTPOBNY-UHFFFAOYSA-N 376.457 2.820 0 40 GFAB CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 67492886 WALKWOVHBVXROG-SFHVURJKSA-N 399.878 2.872 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 8710013 WEIOCAAMYKSNGK-HIFRSBDPSA-N 388.493 2.665 0 40 GFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(CN2CCCC2=O)cc1 8771414 XZZYAOJDZZCUOL-OAQYLSRUSA-N 377.488 2.813 0 40 GFAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCc1ccccn1 8993541 YEPIKDULFCVHAZ-UHFFFAOYSA-N 386.411 2.936 0 40 GFAB NC(=O)CCN(C(=O)COc1cccc(Br)c1)c1ccc(F)cc1 8985078 UJAFHOGPIHOOOJ-UHFFFAOYSA-N 395.228 2.876 0 40 GFAB Cn1c(SCC(=O)Nc2cccc3nsnc23)nnc1-c1ccc(O)cc1 9142856 MNRXAQLNSTWMOX-UHFFFAOYSA-N 398.473 2.923 0 40 GFAB CN1CCN(CC2(C)CCN(CC(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 96014166 FKETZZONKRUMHH-UHFFFAOYSA-N 398.595 2.527 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccnc(Cl)c2)CC1 27997558 LCTJOZSZJKNAFT-UHFFFAOYSA-N 386.883 2.694 0 40 GFAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(OCCN(C)C)nc1 78869173 JSEDGFIMOQIGSE-UHFFFAOYSA-N 378.379 2.511 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1Cl 22423586 MQFJIGUAMGJTAM-UHFFFAOYSA-N 382.873 2.594 0 40 GFAB C[C@@]1(c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccco3)cc2)NC(=O)NC1=O 72311823 BLIBZSRJFDJTAN-AVRDEDQJSA-N 389.411 2.854 0 40 GFAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@@H](c4n[nH]c(C)n4)C3)n2)n1 95966363 PMSNWVFCRPNDCB-CQSZACIVSA-N 399.886 2.984 0 40 GFAB Cc1cccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 20041848 FEJFGUQDUGYRTP-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB COC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 408627312 ZCVZMEUXQAZUIU-AWEZNQCLSA-N 396.896 2.686 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1 408558599 SDTFOVAFDDBOOG-INIZCTEOSA-N 382.526 2.648 0 40 GFAB CCCCN(C)c1ncc(S(=O)(=O)c2cc(Cl)ccc2OC)c(N)n1 65134384 DLKCMQHGQHCBCU-UHFFFAOYSA-N 384.889 2.790 0 40 GFAB O=C(/C=C\c1ccc(O)cc1)NCCCCNC(=O)/C=C/c1ccc(O)cc1 35465992 PYVBFDCHJDMSMM-MFUUIURDSA-N 380.444 2.837 0 40 GFAB biogenic,in-vitro Cc1ccc(-n2cc(C(=O)N3CC[C@](C)(NCC(=O)O)C3)c(C(C)(C)C)n2)cc1 505809680 RHIJFPBVHVODEG-QFIPXVFZSA-N 398.507 2.757 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@H]21 306132871 LUYHEHQKHBSJSK-PZJWPPBQSA-N 377.469 2.899 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N(C)C2CCCC2)CC1 30864363 VITFRIAWOYNCIZ-UHFFFAOYSA-N 378.538 2.938 0 40 GFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3)c2C)cc1 71327182 VHMCRVKHUQOZFF-UHFFFAOYSA-N 383.383 2.625 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2cccs2)ccc1=O 56905908 XSHUPFYIDGNGGD-GFCCVEGCSA-N 383.429 2.943 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)n2c1nc1ccccc12 39963956 ZTPQNRQLFRSHIO-GOSISDBHSA-N 378.432 2.908 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 35464580 AKSMCYXVBDZJRK-KTSNUXKOSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro CN(C)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 38946853 HZBHKRUKNGIISR-NHCUHLMSSA-N 395.478 2.980 0 40 GFAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290542 NECISVRANGHHJQ-LSDHHAIUSA-N 380.448 2.888 0 40 GFAB COc1cccc(-c2noc(CNC(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 219206164 AEWNBQXNRPRKHU-UHFFFAOYSA-N 392.415 2.802 0 40 GFAB Cc1cc(CNC(=O)c2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1 224225573 KADHHHRCZNNMHR-UHFFFAOYSA-N 381.263 2.858 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 44193548 RKUQRJFCKOXGNS-UHFFFAOYSA-N 392.908 2.724 0 40 GFAB Cc1nnc(NC(=O)COc2nn(-c3ccccc3)cc2Br)s1 227151609 INQIBBMYZBDQCB-UHFFFAOYSA-N 394.254 2.812 0 40 GFAB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NC(C)(C)C)n2)C1 225894631 PQDBTEJGZUBTAF-AWEZNQCLSA-N 392.573 2.634 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(F)cc1 40158732 OZWYWEUSSJARLL-GOSISDBHSA-N 384.407 2.769 0 40 GFAB Cc1cccc(OCCNC(=O)CSc2nc3ccc(C)cc3c(=O)n2C)c1 48333214 LPZLRMOAHBLCLD-UHFFFAOYSA-N 397.500 2.838 0 40 GFAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225685463 OZNXZUQFAGEYLK-LLVKDONJSA-N 378.475 2.648 0 40 GFAB COC(=O)C1CCN(C(=O)/C=C/c2cc(Br)ccc2OC)CC1 40160201 WTYFXIKXRLWKMJ-ZZXKWVIFSA-N 382.254 2.883 0 40 GFAB CCOCCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 96263905 GITXWLXWXHTXOR-ROUUACIJSA-N 396.553 2.595 0 40 GFAB CC(C)n1cnc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O 95480747 MWUMLIJFWIXQJT-AWEZNQCLSA-N 394.431 2.558 0 40 GFAB O=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCC(Oc2ccncc2)CC1 244975053 HZTMJEPHQHQNRY-UHFFFAOYSA-N 398.438 2.533 0 40 GFAB COc1ncccc1C(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257327793 XCTNWXYPKLTTJM-SFHVURJKSA-N 381.476 2.990 0 40 GFAB Cn1cc(-c2n[nH]cc2C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cn1 275502311 MMZFRPGZWMXFJZ-INIZCTEOSA-N 377.408 2.790 0 40 GFAB O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)C1(c2cccc(OC(F)(F)F)c2)CCC1 627270677 KZMAKYIXYSVZIN-JKSUJKDBSA-N 398.425 2.674 0 40 GFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cnc1O 635140594 GBPUZOMUSXWBOB-MRXNPFEDSA-N 395.381 2.609 0 40 GFAB CCN1CCN(C(=O)Cc2ccc(NC(=O)NC[C@]3(C)CC3(F)F)cc2)CC1 666284780 FFHLWTDGLKQMQO-IBGZPJMESA-N 394.466 2.560 0 40 GFAB CCOc1ccccc1CN1CCN(C(=O)c2ccc(C(=O)O)cn2)[C@H](C)C1 647740389 PVNGVGZEFZQHGR-OAHLLOKOSA-N 383.448 2.525 0 40 GFAB Cc1cc([C@H]2CCCN2C(=O)CNC(=O)NCc2ccc(Cl)cc2)no1 66608368 BCUGCYZFABGYBJ-MRXNPFEDSA-N 376.844 2.799 0 40 GFAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)NCCO)CN(C(C)C)CCO3)c2)cc1 72389346 GHVNYEVAUGVSAA-DEOSSOPVSA-N 396.531 2.792 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327100 IECHJKQKADOOOT-ROUUACIJSA-N 395.551 2.756 0 40 GFAB Cc1nc(C)c(CC(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)s1 1615118372 BWBQKXHYJPDHIH-UHFFFAOYSA-N 399.516 2.727 0 40 GFAB CC[C@]1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CCC(=O)NC1=O 5260007 YRKCRRKPTRXVJQ-HXUWFJFHSA-N 386.473 2.880 0 40 GFAB CSc1ccccc1NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 11851677 KUGGZXDTDOYROY-SVZOTFJBSA-N 395.477 2.744 0 40 GFAB CCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c2cc3ccsc3n12 12114284 WTXIWGPVRXNWIM-UHFFFAOYSA-N 396.472 2.598 0 40 GFAB CC(=O)NCCOc1cccc2c1N(C(=O)c1ccc3c(c1)OCO3)CCC2 12364288 JWOOHURJMRFMRY-UHFFFAOYSA-N 382.416 2.523 0 40 GFAB biogenic,in-vitro CCCCCCNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21 12777187 NJQKPRONLHTNNO-UHFFFAOYSA-N 379.526 2.982 0 40 GFAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 19463159 PFQJHOUPPAJVIR-BRWVUGGUSA-N 394.523 2.839 0 40 GFAB Cc1cccn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc12 19714702 NWOGHPQKDJJLPU-UHFFFAOYSA-N 382.508 2.922 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)Nc2nnc(-c3cccc(C)c3)s2)C1=O 19715279 JMNVJOZPTCWOAK-UHFFFAOYSA-N 387.465 2.563 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)c(C)c1 19908990 YZFVLCOFWOQKIQ-UHFFFAOYSA-N 398.532 2.926 0 40 GFAB COc1cc2nc(CN3CCN(C)C4(CCCCC4)C3)nc(O)c2cc1OC 653723224 UBADQXZGQIHZMI-UHFFFAOYSA-N 386.496 2.803 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2CCOC[C@@H]2c2ccc(F)cc2)c1C(F)F 569212938 CQEOUJVHRWNFRS-CYBMUJFWSA-N 389.399 2.567 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)c(OC)c2)cc1 845659 NNACUDXXFBCJGZ-IBGZPJMESA-N 397.431 2.979 0 40 GFAB COc1ccc(OC)c(-c2ccc(SCC(=O)NC[C@H]3CCCO3)nn2)c1 5411465 VBGPQJGBWGSTON-CQSZACIVSA-N 389.477 2.548 0 40 GFAB COc1ccc(CCNC(=O)NC[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9039311 KSZXLDGJRYNJSZ-KRWDZBQOSA-N 397.475 2.599 0 40 GFAB COc1cccc(CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)c1 11613648 BVOZZLNZMPZBAZ-HNNXBMFYSA-N 399.516 2.527 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 12235451 HYYLMFBEYSKROG-UHFFFAOYSA-N 385.445 2.522 0 40 GFAB CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 13849427 QQGZZSSHGQKKDU-UHFFFAOYSA-N 397.294 2.881 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(F)cc1 22506090 XSQXTFSECQHEKP-UHFFFAOYSA-N 377.441 2.996 0 40 GFAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1Cl 585147646 MDVGDGGDPUMYSV-UHFFFAOYSA-N 391.880 2.804 0 40 GFAB Cc1nc(N2CCC(Oc3ccn4nccc4n3)CC2)cc(C(F)(F)F)n1 2298215354 CEXUOCMFNRCLHW-UHFFFAOYSA-N 378.358 2.894 0 40 GFAB COc1cccc(CN(C)C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)c1 40119982 AACFEGCBVGOXQL-IBGZPJMESA-N 383.427 2.572 0 40 GFAB O=C(CSc1cc(F)ccc1F)NCc1ccc(N2CCOCC2)nc1 11153001 OSNHBIQUDVOITG-UHFFFAOYSA-N 379.432 2.605 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 800440 NYLYWWUBYZFJSV-QGZVFWFLSA-N 396.443 2.534 0 40 GFAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 3032782 PLPDCKPBQGNJGT-IBGZPJMESA-N 392.496 2.878 0 40 GFAB Cc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)o1 4278906 UYKNNKSISDKNSQ-ZENOOKHLSA-N 384.379 2.857 0 40 GFAB COc1c2c(c(NC(=O)Cc3cc(F)cc(F)c3)c3c1OCO3)CCN(C)C2 32123822 GGKFYBJEKAJAKC-UHFFFAOYSA-N 390.386 2.871 0 40 GFAB biogenic CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)c(C)cc1OC 6958474 PHHRAQHRFXAPNR-ZSOIEALJSA-N 381.475 2.777 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8038980 HQQKYGJGFWTYEI-INIZCTEOSA-N 396.443 2.847 0 40 GFAB O=C(NCc1ccco1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298639 HQCBAROQBYFOOA-GGPKGHCWSA-N 391.475 2.565 0 40 GFAB biogenic,in-vitro Cc1cc(C(=O)NCCNc2cnccn2)cc(C)c1OCc1cccnc1 32654639 RZPYQDAGNVQOMX-UHFFFAOYSA-N 377.448 2.909 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)ccc1OC 8476014 YWXBWYUJQRWGKA-UHFFFAOYSA-N 399.266 2.618 0 40 GFAB Oc1ccccc1N1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 21275439 JDOGLOQVBOISBE-KRWDZBQOSA-N 376.884 2.745 0 40 GFAB CN(C)S(=O)(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 100112813 AJPVDXORJPDLSE-KYOSRNDESA-N 378.416 2.744 0 40 GFAB C[C@H](OC(=O)C1(Cc2nc3ccccc3s2)CCCC1)C(=O)NC(N)=O 21547215 FTYBSLCKDNNKAV-NSHDSACASA-N 375.450 2.526 0 40 GFAB O=C(CNC(=O)Cc1ccccc1)NCCc1ccc(N2CCCCC2)cc1 32932432 SADNDLRFSPCKDP-UHFFFAOYSA-N 379.504 2.695 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2F)C1 52823172 YITCHKBOGNXUCP-MRXNPFEDSA-N 376.453 2.647 0 40 GFAB O=C(CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccco1)C2)NCc1ccc(F)cc1 100433711 CESDEEBXCSJADE-OALUTQOASA-N 399.466 2.850 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(Br)ccc1O 22185386 DCFVIABNTNUITQ-UHFFFAOYSA-N 394.250 2.725 0 40 GFAB O=C(NCCCN1CCCC1=O)c1cc(Br)ccc1OC(F)F 2791437 GMLITXOGTOEIPK-UHFFFAOYSA-N 391.212 2.793 0 40 GFAB CN(Cc1ccccc1N1CCCCC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O 23654158 OBSUPQJRWXXSFL-UHFFFAOYSA-N 398.507 2.800 0 40 GFAB COc1ccc([C@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)N2CCOCC2)cc1 23762431 VYPGRZKTMIUBCH-IBGZPJMESA-N 399.491 2.646 0 40 GFAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[C@@H]1C[C@H]2CC[C@H]1C2 105118643 TVCGGRWCWYNRMB-DNCCFGNJSA-N 384.476 2.752 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 12544821 LAJMUNQVRMKYFR-CYBMUJFWSA-N 392.477 2.875 0 40 GFAB Cc1nn(-c2ccccc2)c(COC(=O)c2n[nH]c(=O)c3ccccc23)c1C#N 43768054 CSDBJAKSVXWGHO-UHFFFAOYSA-N 385.383 2.646 0 40 GFAB Cc1c(NC(=O)CCc2ccc3c(c2)OCCO3)c(=O)n(-c2ccccc2)n1C 24613291 JPFGYNNTZVYZKU-UHFFFAOYSA-N 393.443 2.827 0 40 GFAB Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@H]1COc2ccccc2O1 58175273 VFCANGVEXAYZAF-LJQANCHMSA-N 398.484 2.963 0 40 GFAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10140462 QVIIDRJLBXODHV-SSDOTTSWSA-N 388.733 2.915 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccn[nH]2)cc1 58218637 RPUXIUPWBMPTSA-UHFFFAOYSA-N 376.463 2.510 0 40 GFAB CC(C)[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc2c(c1)OCCO2 58366761 HVPQWJZBJPTBKA-NRFANRHFSA-N 395.459 2.625 0 40 GFAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3nc(C)cc3C)n2)s1 12781699 DSWSASHPYVTZST-UHFFFAOYSA-N 389.506 2.960 0 40 GFAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)s1 3432209 QYEKUAKGOAYUDR-RYUDHWBXSA-N 395.506 2.502 0 40 GFAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1c(=O)[nH]c2ccccc2c1=O 17027857 NMMMBUQHHSYTIR-JTQLQIEISA-N 393.321 2.788 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 22537853 FDVZRVIOZPPFLM-GFCCVEGCSA-N 380.441 2.624 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C2=O 65497126 XUMGEKJXOYCOIR-KUHUBIRLSA-N 397.450 2.538 0 40 GFAB COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1OC 5347676 TVLMFHCMUGTWFW-LJQANCHMSA-N 384.388 2.607 0 40 GFAB CN(C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 14199368 UNMCBXKHOZMBFD-LQYUOIDQSA-N 380.466 2.608 0 40 GFAB O=C1CCCN1C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 6531511 DPWOTDQLAZXSEV-UHFFFAOYSA-N 393.472 2.630 0 40 GFAB CCOC(=O)c1oc2ccccc2c1COC(=O)C[C@@H]1C=CS(=O)(=O)C1 8547895 SSLJQIOBHHEGDH-LBPRGKRZSA-N 378.402 2.601 0 40 GFAB CCOc1ccc(-c2nc(Cn3cnc4c(cnn4C)c3=O)cs2)cc1OC 14641141 PCENSISIHFAIEZ-UHFFFAOYSA-N 397.460 2.709 0 40 GFAB FC(F)(F)c1nnc2ccc(NC[C@@H](c3cccs3)N3CCOCC3)nn12 14713166 PYNWMDDSHVVPFP-NSHDSACASA-N 398.414 2.690 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 5754246 VJEDXFCQENTVNL-LBPRGKRZSA-N 386.429 2.553 0 40 GFAB COc1ccc(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)cc1OC 5898302 KVHHIBHRRMLLJK-UHFFFAOYSA-N 379.796 2.988 0 40 GFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7085099 XGQXXBHALJTOHK-WYRIXSBYSA-N 386.477 2.536 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccccc2C)c(=O)[nH]c1=O 7007456 UKSYYPFSDIJXCZ-UHFFFAOYSA-N 386.496 2.920 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1F 8775129 DQNREAPOAPSESA-UHFFFAOYSA-N 382.844 2.834 0 40 GFAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16025019 BKBWMJHSTIUDBM-UJKGCTCZSA-N 389.883 2.515 0 40 GFAB COc1ccc(OCCC(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19077963 BQYOFRWQXDICPP-UHFFFAOYSA-N 387.417 2.651 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1Cl 18212157 SOEWHDQQOYNJFF-UHFFFAOYSA-N 399.834 2.999 0 40 GFAB COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 18250314 IJESFENOBMRBHF-FQEVSTJZSA-N 391.427 2.836 0 40 GFAB Cc1ccc(-c2ccc(C(=O)NCCNC(=O)c3cnccn3)o2)cc1Cl 7871461 RJFXZUXKJJTACB-UHFFFAOYSA-N 384.823 2.858 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(F)cc1F)CC(O)=N2 71282496 FUAPLDZRVVXTDQ-AAEUAGOBSA-N 381.404 2.953 0 40 GFAB Cc1ccccc1N[C@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 9338826 QYVNPZWEMZQVJB-INIZCTEOSA-N 395.440 2.725 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CCN3CCCc4ccccc43)CC2)C1 84686243 FOSOKNYYGJZVFB-SFTDATJTSA-N 398.595 2.561 0 40 GFAB CCn1cnnc1CCNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 95957407 OTSAXJONSPQEIC-UHFFFAOYSA-N 387.871 2.910 0 40 GFAB CC(C)Oc1ccc(Cl)cc1C(=O)N1CC(n2cc(C(C)(C)O)nn2)C1 95998122 BVBDNSILIXOXAZ-UHFFFAOYSA-N 378.860 2.643 0 40 GFAB CNC(=O)c1cccc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)c1 95999111 WVFKDQNUGDVGGQ-GOSISDBHSA-N 378.432 2.670 0 40 GFAB Cc1ccnn1-c1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c1 78953799 NHKJGVSADIMGER-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB O=C(c1cc(S(=O)(=O)Nc2ccc3[nH]c(=S)oc3c2)c[nH]1)N1CCCC1 79111598 JJNYVBYACLKPQR-UHFFFAOYSA-N 392.462 2.855 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353306 SQTFOAWQJLAXFO-INIZCTEOSA-N 389.525 2.986 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 20111596 IEOHIPKBXLIGOT-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1 408610853 WGZSGSSWDVQLLR-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 524734195 GWGPRHDMEBWUKE-HKUYNNGSSA-N 394.471 2.856 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 38372266 MWZLQMNOWQMTCH-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 30758640 GDCGVWDZOTUOGL-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB CC1CCN(C(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 67262377 CWQBQGDEYHXICP-UHFFFAOYSA-N 382.439 2.951 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3nccnc3-n3ccnc3)CC2)cc1 72350655 RZROPXAWQDWJJX-UHFFFAOYSA-N 377.448 2.620 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CN(C)c2nc3c(F)cccc3s2)CC1 70973685 DMJVLQWWKHTRHQ-UHFFFAOYSA-N 394.472 2.609 0 40 GFAB Cc1cccc(C)c1Oc1ccccc1NC(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 519684645 FSETUJNLSRZMTI-GASCZTMLSA-N 379.416 2.832 0 40 GFAB CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223058265 JLKFJUXRUGISKX-OAQYLSRUSA-N 382.504 2.781 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2F)cc1Cl 224962736 SMTXKDGOZPOPGY-UHFFFAOYSA-N 391.779 2.907 0 40 GFAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225927777 GKNYTRXRAJALBY-UHFFFAOYSA-N 390.505 2.591 0 40 GFAB COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225096012 TXPPFXGINLSOAX-UHFFFAOYSA-N 381.425 2.819 0 40 GFAB CN(c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)S(C)(=O)=O 223751581 XTBICZVCYMJOJX-UHFFFAOYSA-N 388.474 2.853 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222448006 KSFZCVKYDYWYBB-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1 225629077 UMYQNYSOUKLMFK-BLLLJJGKSA-N 391.880 2.526 0 40 GFAB Cc1ncsc1CCS(=O)(=O)N1CCCN(c2ccccc2F)CC1 571493898 YQORSWSJKJFFLY-UHFFFAOYSA-N 383.514 2.675 0 40 GFAB Cc1cccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 223617875 ASNCFPJTJOWWJZ-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB C[C@H](CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 224005688 SNJRMVHVTJCERQ-HUUCEWRRSA-N 378.469 2.900 0 40 GFAB CC(C)c1nnc2n1C[C@@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC2 95957999 WTBZUIVGEGANOP-IBGZPJMESA-N 381.524 2.745 0 40 GFAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21 96053498 ATFKIVGBDMWPOZ-QGZVFWFLSA-N 388.508 2.819 0 40 GFAB COC(=O)c1cnn(-c2cc(Oc3cccc(OC(F)(F)F)c3)ncn2)c1N 96318791 WGROWUHPOZFJED-UHFFFAOYSA-N 395.297 2.722 0 40 GFAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cccc(Cl)c2)CC12CCOCC2 96240808 FURILBGNKPQIQJ-KRWDZBQOSA-N 376.884 2.735 0 40 GFAB CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)Nc2ccc(Cl)cc2)n1 98212686 BSADHLIKINZYRU-UHFFFAOYSA-N 379.800 2.529 0 40 GFAB COc1ccc(CN2[C@H]3CC[C@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cc1OC 247873483 FTXUEPAUIDEXKH-LVWPNOBMSA-N 379.460 2.992 0 40 GFAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)Cc3ccc(C)cc3)C2)nc1C 257332288 XWPPYGWNYRIHSQ-LJQANCHMSA-N 394.519 2.639 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 257258271 KTCLQVJKOXLEOC-AWEZNQCLSA-N 395.467 2.557 0 40 GFAB COc1ccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)c(OC)c1 254838554 SBNPCIGTVRYRQW-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB Cc1c(C(=O)N[C@H](CO)C2CCCCC2)nnn1-c1cccc2cnccc12 537782304 CMXWSEOIPKNRPI-GOSISDBHSA-N 379.464 2.795 0 40 GFAB Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[C@H](C(=O)O)NC4)cc3)nc12 657219679 JRJXAVHVIOQQAL-DOTOQJQBSA-N 378.432 2.701 0 40 GFAB COc1ncc(Br)cc1CNC(=O)Nc1ccc(C2CC2)nn1 606444649 FLNYVXLBJCGFSX-UHFFFAOYSA-N 378.230 2.842 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1 15422590 XEQRNVTYFGYUBI-UHFFFAOYSA-N 380.379 2.891 0 40 GFAB Cc1sc2nc(SCCN3C(=O)c4ccccc4C3=O)[nH]c(=O)c2c1C 16047001 GICNRXLEMTZMLO-UHFFFAOYSA-N 385.470 2.990 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)c3cccs3)nc2C1 19019006 OQVIRABCEQZJCK-HNNXBMFYSA-N 386.477 2.516 0 40 GFAB NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 19348447 VDPLQDXWQKZEQM-HSZRJFAPSA-N 386.455 2.704 0 40 GFAB CCCc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(-n3cnnn3)cc1)OCO2 19525452 YSRZTZNDEGFMDP-CYBMUJFWSA-N 395.419 2.750 0 40 GFAB CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 19583218 KAEBQJXSWUAAHR-QGZVFWFLSA-N 395.482 2.691 0 40 GFAB COc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 19590669 KKLFLVATJPLTDZ-UHFFFAOYSA-N 394.519 2.812 0 40 GFAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)C(C)(C)O)C2)n1 19694205 BYJXKTITJZOXGC-CQSZACIVSA-N 386.471 2.826 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3c(nc2N)CCN(C)C3)c1 19700646 NGOZTJCRHNJYPX-LJQANCHMSA-N 396.491 2.646 0 40 GFAB COc1ccc([C@H](NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C2CC2)cc1 19715352 CERQUAMKASEFNQ-CKJNBZMOSA-N 399.491 2.763 0 40 GFAB COc1ccc(CCN2CCN(c3cc(C)nc([C@@H]4CCNC4)c3)CC2)cc1 19739044 YQSQDFSEIJUSMT-HXUWFJFHSA-N 380.536 2.840 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(F)c1 19974065 ZUGYFIAZWUIGKK-GFCCVEGCSA-N 398.442 2.561 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2N)cc1 226347696 KXDHUSTZMVZBEN-UHFFFAOYSA-N 384.255 2.791 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 12158107 BKVARSRXGSVFDA-KBPBESRZSA-N 378.523 2.946 0 40 GFAB Cc1cc(C)n(CCC(=O)N[C@@H](Cc2ccsc2)c2nccs2)c(=O)n1 12226924 CQKGTNIVCSABSV-HNNXBMFYSA-N 388.518 2.868 0 40 GFAB O=C(CC1CCCCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19375894 XBHZFAWDLYBRFR-UHFFFAOYSA-N 383.492 2.720 0 40 GFAB CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1=O 22697048 XVFCWCBXJZDWFE-LJQANCHMSA-N 375.900 2.872 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3ncnc4c3CCC4)CC2)nc(C2CC2)n1 1888853560 DAYKCESLYSRKOV-UHFFFAOYSA-N 390.413 2.978 0 40 GFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)C2CCOCC2)CC1 1888857126 RFPGCIPQLLXWRP-UHFFFAOYSA-N 387.455 2.509 0 40 GFAB CN(C)S(=O)(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888928954 KTBVRXJGHRQSPA-UHFFFAOYSA-N 397.504 2.678 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 4497719 RBSJMZGXBGHWFY-QGZVFWFLSA-N 386.473 2.590 0 40 GFAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1C(C)C 4940384 XGABFZVEGBALIU-UHFFFAOYSA-N 379.464 2.672 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc(=O)[nH]c1C 5251685 PZAYOPWYPPBZSE-UHFFFAOYSA-N 395.868 2.948 0 40 GFAB COc1ccc(N2C[C@H](CNC(=O)Nc3cccc(OC)c3OC)CC2=O)cc1 9039259 TTYALCNHSRAKCW-AWEZNQCLSA-N 399.447 2.887 0 40 GFAB CCC(=O)N[C@@](Nc1nc2ccc(F)cc2s1)(C(=O)OC)C(F)(F)F 9319952 SGLTVTDKXOXIPA-CYBMUJFWSA-N 379.335 2.805 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38730653 YYFFKOGTMGTPGE-HZPDHXFCSA-N 394.500 2.572 0 40 GFAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)nc(C)n1 585147515 ZRZRIRGFQNHVKM-LBPRGKRZSA-N 385.848 2.728 0 40 GFAB COc1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)CC(C)C)C2)c(OC)c1 585146944 XNWRIVNEMTUFOG-HNNXBMFYSA-N 384.498 2.771 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](Oc2nccs2)C1 585320674 NLUWSEQMMYVLDR-QMMMGPOBSA-N 395.325 2.809 0 40 GFAB COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCN(C(C)=O)C2 4281081 FFBXBNQVVXAUKA-UHFFFAOYSA-N 388.445 2.700 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cnc(O)c(Cl)c1 225736486 JUSIFRWCVWEFNO-UHFFFAOYSA-N 387.871 2.508 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)CCSCc2csc(C)n2)ccc1C 40069646 ZYSAIQQNCVXNCC-UHFFFAOYSA-N 399.563 2.930 0 40 GFAB COc1ccc(Nn2c(N)nn(CC(=O)c3ccc(OC)cc3)c2=S)cc1 28535181 OEKAWJFOOIIBDY-UHFFFAOYSA-N 385.449 2.772 0 40 GFAB CCN(CC)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 2458509 JMYIAVBWPRKAHW-UHFFFAOYSA-N 386.823 2.993 0 40 GFAB CNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 4160513 WOMQOUVAYBQELG-UHFFFAOYSA-N 387.505 2.938 0 40 GFAB Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCC1 7881082 OVBFUZBFLGRRRE-UHFFFAOYSA-N 384.501 2.978 0 40 GFAB Cc1ccnc(SCc2cc(=O)c3c(=O)n(-c4ccc(F)cc4)[nH]c3[nH]2)n1 8020891 GQMVCXIWJGNONM-UHFFFAOYSA-N 383.408 2.537 0 40 GFAB COc1ccc(OCCN(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1 8306297 DWHCBFSSJGHTFC-UHFFFAOYSA-N 384.432 2.921 0 40 GFAB C[C@H](NC(=O)CSc1nc(-c2ccco2)n[nH]1)c1ccc2c(c1)OCCO2 32873580 WZTIIAAANDGZFD-NSHDSACASA-N 386.433 2.805 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 32922847 WPUBSMJBZBOESA-QGZVFWFLSA-N 376.409 2.669 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N(CCO)[C@@]2(C)C[C@H]1c1ccccc1O2 102972447 KVCMLNPUHGIRPP-DKZVUGQWSA-N 380.444 2.667 0 40 GFAB COc1ccc(C(C)=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22773158 RYVUQFFYMDTQIO-UHFFFAOYSA-N 382.460 2.944 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1 23075182 KZCPATPSWCVQED-UHFFFAOYSA-N 396.426 2.600 0 40 GFAB COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1 956194 UBUNGVWKUHQCPD-UHFFFAOYSA-N 386.791 2.918 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 101021625 UZTJJCITPDODGP-FZTCLAKQSA-N 391.254 2.985 0 40 GFAB CN(C)CCCN1CNC2=N[C@H](c3cccs3)n3c(nc4ccccc43)N2C1 20102206 HRENEARRCJVIRH-SFHVURJKSA-N 395.536 2.593 0 40 GFAB O=C(/N=c1/sccn1Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 105113198 AAGNRNMHRUEBAT-QBNCKDSPSA-N 386.498 2.613 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H](c1cccs1)N1CCCC1 24755166 FIGNNOYEHMYWTL-KRWDZBQOSA-N 396.516 2.871 0 40 GFAB COc1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc(OC)c1OC 16302045 BBYUIERFBDJVGW-UHFFFAOYSA-N 381.432 2.887 0 40 GFAB COC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 106647240 KSJPJBZLWLXVNF-GFCCVEGCSA-N 392.253 2.660 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)N1c3ccccc3CC[C@@H]1C)C[C@@H]2O 26159935 XVRQKMYMAZALPJ-KXBFYZLASA-N 396.487 2.921 0 40 GFAB COc1ccc(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1OC 26676421 YLDDLDSHIPCFIG-UHFFFAOYSA-N 399.443 2.797 0 40 GFAB Cc1cc(OCC(=O)N[C@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCCC3 2099555 KJQCQRGKHLUSAP-IBGZPJMESA-N 387.432 2.584 0 40 GFAB biogenic COc1ccc(NC(C)=O)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 10186094 SXOJWRSKFQKZRA-CYBMUJFWSA-N 396.447 2.829 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 3226454 YPIZELCIXLNXME-UHFFFAOYSA-N 388.807 2.584 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1OC 3235577 ZTUHJYUXGAPVMC-UHFFFAOYSA-N 381.331 2.786 0 40 GFAB O=C(Cn1cccnc1=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 58225760 LIEDUTOCXKKTSZ-MRXNPFEDSA-N 376.254 2.663 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(Cl)c1F 21354622 QGDZOXGFLWATHI-IBGZPJMESA-N 387.798 2.811 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(C)cc3)CC2)cc1 12741721 MYEGXYBYPUGICS-UHFFFAOYSA-N 394.471 2.855 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(CNC(N)=O)cc1 12799374 RJLXONQZAVSILK-UHFFFAOYSA-N 377.448 2.587 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 8139727 IFAKWPPZBVJYSE-UHFFFAOYSA-N 397.500 2.633 0 40 GFAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(CCC(=O)O)cc1 12825510 YEDNAFJJRJCAAC-UHFFFAOYSA-N 375.446 2.854 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)C[C@@H]1Sc2ccccc2NC1=O 12808908 VEFHFQSHRHIYRZ-INIZCTEOSA-N 383.473 2.861 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 12819138 SKGCYUWLODEOJM-INIZCTEOSA-N 399.299 2.855 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 3435294 IOWHIZXDEYANGE-CZUORRHYSA-N 398.550 2.551 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 179666317 KFVLLPZXKQWZMT-UHFFFAOYSA-N 396.925 2.784 0 40 GFAB Cc1cc(C)c(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)cc1C 12995652 IOWYCMYDQVTQES-CQSZACIVSA-N 393.534 2.617 0 40 GFAB C[C@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 408565093 BEFKFYLXZGEJCQ-ZDUSSCGKSA-N 393.418 2.816 0 40 GFAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1 13023800 HHPVNSWLFRYSIS-HNNXBMFYSA-N 381.432 2.663 0 40 GFAB CN1CCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1 13681857 WDTULVLZAIZYPT-UHFFFAOYSA-N 378.428 2.613 0 40 GFAB biogenic O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccncc1 13692955 JGPXKHCCVWZLNC-TZIWHRDSSA-N 396.468 2.636 0 40 GFAB O=C(CC1(C(=O)O)CCCC1)Nc1cccc(C(=O)N2CCSCC2)c1 64611644 KFCLEBITPDXLBX-UHFFFAOYSA-N 376.478 2.849 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F)c1ccccc1 13856329 OMZFZNNZHKNYCV-CQSZACIVSA-N 378.425 2.535 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(-c3nnco3)cc2)cc1 5208403 HBMDZZJDKOSKSM-UHFFFAOYSA-N 380.404 2.521 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1C(=O)O 69510527 WCZQJCUIJBFQGG-UHFFFAOYSA-N 389.433 2.778 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 21094246 MPQAUPDDSSFMBQ-INIZCTEOSA-N 396.443 2.929 0 40 GFAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccncc3)C[C@@H]21 5478093 OGIRUVJKNMJTPT-IBGZPJMESA-N 392.459 2.972 0 40 GFAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)c1c[nH]c2ccccc12 5415686 UWCBKBZRTWJBEH-LBPRGKRZSA-N 375.384 2.843 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCSc2ccccc2)cc1 6509733 SWWUMSVJXRQCAF-UHFFFAOYSA-N 392.546 2.914 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)c1cccs1 8747487 ZZNDMDGYSBFSCW-DLBZAZTESA-N 384.505 2.702 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1F 14797277 AIRLBWGLWGGTSI-INIZCTEOSA-N 387.436 2.686 0 40 GFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Cl)cc1 6997512 NOAPFJGUTRNLGU-UHFFFAOYSA-N 377.853 2.797 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(Cc2ccccc2)nn1 67184336 PIAZQPIDESTIBK-UHFFFAOYSA-N 375.476 2.721 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H](c3nc(C)no3)C2)C(C)C)cc1 59586003 QIQHPILHSYYQNR-ROUUACIJSA-N 384.480 2.847 0 40 GFAB Cn1nccc1C(=O)N1CCC(c2nnc3ccc(-c4ccsc4)nn23)CC1 306139506 SYYSFUBSCIGFTQ-UHFFFAOYSA-N 393.476 2.606 0 40 GFAB CCOC(=O)Cc1cc(=O)n2nc(-c3ccc(Br)cc3)cc2[nH]1 409047015 SZIPYDBFQYTNST-UHFFFAOYSA-N 376.210 2.558 0 40 GFAB Cc1cccc(NC(=O)[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)n1 95473176 QCTLAORDVQDNJD-HXUWFJFHSA-N 395.507 2.885 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cnccn1 95998478 SWRWSPSJDMGXTN-LJQANCHMSA-N 377.448 2.552 0 40 GFAB C[C@H](OCc1ccccc1)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 95949292 GINOCLKBGOMFFI-PMACEKPBSA-N 381.520 2.919 0 40 GFAB O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N[C@H]1CCC[C@H]1n1ccnc1 79023565 NXXZLMVMWMDBKZ-DLBZAZTESA-N 386.427 2.802 0 40 GFAB CCc1c(Cl)nc(-c2ccccc2)nc1N1CCC(CS(N)(=O)=O)CC1 79016341 SBJAAHIEWCMYAM-UHFFFAOYSA-N 394.928 2.864 0 40 GFAB O=C(N[C@@H]1CCCn2ncnc21)c1nc(C2CC2)n(-c2ccccc2Cl)n1 79053612 NGCWOOUKIOYBGM-CYBMUJFWSA-N 383.843 2.655 0 40 GFAB COc1cccc([C@@H]2Nc3ccccc3-c3c(O)nc(SC)n[n+]32)c1OC 27233033 PCDFWLSXOCGNLX-QGZVFWFLSA-O 383.453 2.848 0 40 GFAB O=S1(=O)c2ccccc2O[C@@]2(CCN(C3CCC3)C2)CN1Cc1ccccn1 306140947 VHJWECJXEQEKLI-OAQYLSRUSA-N 399.516 2.662 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2F)C(=O)N3)cc1 20730607 GISBNYDKOZOQRB-HNNXBMFYSA-N 381.367 2.615 0 40 GFAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 408709390 RYTNJFQBRUAIDA-UHFFFAOYSA-N 379.460 2.922 0 40 GFAB Cc1ccc(-c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)c(C)c1 1501040392 PDHCSCYYZMIWRI-UHFFFAOYSA-N 391.522 2.609 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 32604286 ZLTARCKCYHRLDW-QGZVFWFLSA-N 388.489 2.811 0 40 GFAB COc1cccc(CN2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)c1 72390901 MJGFBIDKKDAPTQ-GOSISDBHSA-N 380.492 2.769 0 40 GFAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 531686616 UGUAQYNLYJMLAH-KRWDZBQOSA-N 389.452 2.940 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 72350656 NNLVLJBSPOWYDB-KRWDZBQOSA-N 377.448 2.620 0 40 GFAB CN(C)CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30855585 HBVFQQQVDZWQHP-UHFFFAOYSA-N 395.912 2.822 0 40 GFAB CCn1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)cn1 36619081 QOXYERRVPWDEFN-UHFFFAOYSA-N 381.827 2.591 0 40 GFAB Cc1cc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4s3)CC2)no1 70899842 JKRGTHPBRYXWRK-UHFFFAOYSA-N 399.476 2.564 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1OC 78403797 ZLXGUVXJROEPLE-CYBMUJFWSA-N 376.478 2.581 0 40 GFAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1 47219399 YHMHSPDHUUGKOF-LLVKDONJSA-N 387.288 2.977 0 40 GFAB Cc1nn(C)c(C)c1CNC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 72403569 WIBIYJFLYMYZOR-UHFFFAOYSA-N 378.517 2.984 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c2cccnc12 223340012 DNIVUZYUILIZRP-UHFFFAOYSA-N 399.428 2.798 0 40 GFAB CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC2(CCOC2)C1 568360302 KMIXCFDVPVNNEF-UHFFFAOYSA-N 389.496 2.955 0 40 GFAB CCc1c(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cnn1-c1ccc(OC)nn1 40113207 OVFANLAADZOFGO-YOEHRIQHSA-N 387.484 2.558 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 222825412 FNMASKBLRYKYAT-CQSZACIVSA-N 390.867 2.891 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccccc1F 225447276 UHVZOERCAGXRJP-UHFFFAOYSA-N 380.441 2.702 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2ccccc2Cl)NS(C)(=O)=O)cc1 225955599 KVHMQONIQCCNDX-INIZCTEOSA-N 382.869 2.968 0 40 GFAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C(C)C 223368572 JAEMIDBTLRLKEU-OAHLLOKOSA-N 396.553 2.976 0 40 GFAB CCCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224776228 IVKLICFOKDJYKF-UHFFFAOYSA-N 390.505 2.964 0 40 GFAB Cc1ccccc1N1C(=O)c2cccc3c(N(CCO)CCO)ccc(c23)C1=O 95470894 KVXJAJJNBXDATF-UHFFFAOYSA-N 390.439 2.740 0 40 GFAB COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)nc2ccccn2c1=O 96115575 NIILBBJNILQPEV-MRXNPFEDSA-N 382.416 2.882 0 40 GFAB biogenic O=C(c1cnccn1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96038256 DOBVIPJAZWKBHY-UHFFFAOYSA-N 385.431 2.601 0 40 GFAB Cc1cc(C)cc(C(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)c1 96238099 QXNJICYLEGRKMG-NRFANRHFSA-N 383.517 2.928 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244082 GZKGNJBJCYBRDU-JOCHJYFZSA-N 378.476 2.542 0 40 GFAB Fc1ccccc1CN1CC2(CN(Cc3ccccc3)C[C@@H]3COCCN32)C1 604381859 RXOQURTUSHGHLQ-OAQYLSRUSA-N 381.495 2.597 0 40 GFAB biogenic,in-vitro Cc1cc(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)nc(CO)n1 1117295819 HPEYTDXBZKVNNK-FQEVSTJZSA-N 383.473 2.882 0 40 GFAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@@H]([C@H]4CCCCO4)C3)nn2)cc1 660873552 VENSUAGCJIOCJA-OXQOHEQNSA-N 399.495 2.767 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CC[C@]2(O)CCCC[C@H]2C1 604403946 FLAIOXCZEXUVBW-HTAPYJJXSA-N 383.444 2.986 0 40 GFAB biogenic O=C(CNC(=O)C1CCCC1)NCC1(c2ccc(Cl)cc2)CCOCC1 55762184 RDTLZRJFQCGWLA-UHFFFAOYSA-N 378.900 2.811 0 40 GFAB C[C@H](CNC(=O)COC(=O)C1(O)CCCCC1)c1nc2ccccc2s1 58008466 XQWWGNCYNJMYOF-CYBMUJFWSA-N 376.478 2.754 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@H](COc2ncccn2)C1 1775968937 ZRGLDMBERBQUQN-HNNXBMFYSA-N 395.438 2.947 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5[C@@H]([C@@H]3C2=O)[n+]2ccccc24)cc1 5119150 HSVUYOOLMQTDSC-CBPXPLCBSA-N 383.427 2.837 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(C)cc(C)c1 13580956 DIMCMUOURUFHSR-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 14183318 JQSZWJRZIWGWLX-SFHVURJKSA-N 376.478 2.945 0 40 GFAB Cc1cc(C)cc(C2(CNC(=O)c3cc(C(C)C)[nH]c(=O)n3)CCOCC2)c1 19569565 BXRQFSDYNHLIMZ-UHFFFAOYSA-N 383.492 2.988 0 40 GFAB COc1ccccc1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19590397 FNYWZBSMSKOZTQ-SFHVURJKSA-N 394.519 2.812 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1C 8336364 GCGMPCGRNARHHL-MHWRWJLKSA-N 383.379 2.674 0 40 GFAB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 7495339 LMYCNJBCEAYQDS-SFQUDFHCSA-N 383.448 2.700 0 40 GFAB CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)c1c(C)noc1C 12276245 UOQKDLMWCKDNEO-MRXNPFEDSA-N 396.447 2.732 0 40 GFAB Cn1nnc2c1CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C2 654553213 JOZWXGGJVGRMCU-VHRBIJSZSA-N 380.279 2.835 0 40 GFAB COC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12326662 RMZZKBPZCVRUEV-UHFFFAOYSA-N 385.445 2.611 0 40 GFAB CO[C@H]1CCN(c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(n3ccnn3)C4)cc2)C1 669952609 LSBJQIQCMMGUDJ-BJLQDIEVSA-N 381.480 2.512 0 40 GFAB CCOc1ccc2c(c1)[C@H](NC(=O)c1c[nH]c(C(=O)N3CCCC3)c1)CCO2 681367579 BVWHGSWRFYHLMD-QGZVFWFLSA-N 383.448 2.903 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10545581 MSWHVDHRUPOOEH-HNNXBMFYSA-N 383.473 2.986 0 40 GFAB O=C1NCCOCCCCN(Cc2ncccc2F)CCOc2ccccc21 2037988616 ASJQGGLMAKPEAN-UHFFFAOYSA-N 387.455 2.642 0 40 GFAB O=C(NCC(F)(F)F)C1=NO[C@@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056226541 UIGNLTGGLJTOPP-INIZCTEOSA-N 391.340 2.754 0 40 GFAB O=C(CCc1ccc[nH]1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542437 ZXDBNAJMQLERMT-IFMALSPDSA-N 383.492 2.957 0 40 GFAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 3061469 KVAVXZOHBLBWEN-LBPRGKRZSA-N 390.233 2.994 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 4031542 RWCUQOVPHOVEDU-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB O=C(COc1cccc2c1CCNC2=O)Nc1ccc(Br)cc1 4851179 WIMMCULXASBOEH-UHFFFAOYSA-N 375.222 2.753 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 11694004 KLTKWGPZWNEBCH-MHWRWJLKSA-N 396.472 2.859 0 40 GFAB COC(=O)C1CCN([C@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22609653 KXVMQHZPEQMYCN-CQSZACIVSA-N 390.440 2.610 0 40 GFAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(C(C)=O)CC3)c(O)n2n1 22855122 RLUGVPDNYMEUPB-KRWDZBQOSA-N 399.520 2.621 0 40 GFAB O=C([C@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1)N1CCC(F)(F)CC1 2086884491 AAEGGVQCYKCHPQ-GFCCVEGCSA-N 379.329 2.563 0 40 GFAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCCc2ccccc21 35598329 WPCQSEVMDZXODD-UHFFFAOYSA-N 389.503 2.660 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)NCCn1cnc(C2CC2)cc1=O 575608699 WCBFDBBKTBQCGM-UHFFFAOYSA-N 380.473 2.983 0 40 GFAB O=C(CSc1nc(=O)[nH]c2c1CCC2)Nc1ccc(Br)cc1 4316829 KZCLBXQGJMHMFJ-UHFFFAOYSA-N 380.267 2.752 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccoc2C(=O)OC)cc1 40040302 OZJPNHGNPFDDRV-CQSZACIVSA-N 394.493 2.948 0 40 GFAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc(C(F)(F)F)cc1 40097856 FAJTWPNKUGYJSP-XJKSGUPXSA-N 387.402 2.564 0 40 GFAB Cc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1NS(C)(=O)=O 30216784 YJQFIBFLSLQGSP-UHFFFAOYSA-N 398.488 2.541 0 40 GFAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3Br)cn2)CCO1 40112389 LNFXLUCYOFYHOO-CYBMUJFWSA-N 390.281 2.999 0 40 GFAB NCCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 2402212 BDZFYDMPJCLEAD-UHFFFAOYSA-N 398.536 2.716 0 40 GFAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1cccc2ccccc12 1587965 OQAAXFJLOZQKMD-UHFFFAOYSA-N 382.397 2.723 0 40 GFAB COCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 4161451 HPCCJXIFONKSBH-UHFFFAOYSA-N 384.461 2.866 0 40 GFAB CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 6205630 NXFLVJSMTCJUHI-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)c(O)c(C)c2)C1=O 6861097 RJQVLZYPLPGVPN-YVLHZVERSA-N 379.416 2.849 0 40 GFAB COc1cc(NC(=S)NCc2ccc3c(c2)OCO3)cc(OC)c1OC 7523083 MKWMUGPQRWIXTJ-UHFFFAOYSA-N 376.434 2.928 0 40 GFAB Cc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 10110448 BMUHFYXWRDOAPG-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O 10335352 CVRBKTOOMFIBRA-AWEZNQCLSA-N 390.933 2.734 0 40 GFAB CCOC(=O)[C@H]1CSCCN1C(=O)c1cc(C)n(-c2nccs2)c1C 36837735 MNDQXRQONKENHB-CQSZACIVSA-N 379.507 2.671 0 40 GFAB CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20745742 OOWUAOFLEJUSLJ-INIZCTEOSA-N 377.404 2.866 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 8037449 QDVMJDZAJJEQJM-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB COC[C@@H](C)n1c(SCCn2c(C)csc2=O)nc2ccccc2c1=O 8936641 VIEXWCUOJXNXMH-GFCCVEGCSA-N 391.518 2.928 0 40 GFAB C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 108929007 NBEAZLYVFAXYRK-DLBZAZTESA-N 393.553 2.920 0 40 GFAB CC(=O)NCCc1nc2cc(NC(=O)NCOc3cccc(C)c3)ccc2n1C 32581200 HJEUVORHJDGMMB-UHFFFAOYSA-N 395.463 2.718 0 40 GFAB CCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1nc2ccccc2c(=O)[nH]1 32753420 BOIZEUZHHCSGIV-UHFFFAOYSA-N 383.452 2.669 0 40 GFAB Cc1cccc(-c2nnc(Sc3nccc(C(F)(F)F)n3)n2CC(N)=O)c1 32829213 BXCFLDCZOIQMTB-UHFFFAOYSA-N 394.382 2.699 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 100626348 VVSVAJQQYLURHZ-AABGKKOBSA-N 396.443 2.959 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)NC1CCCC1 32910129 ADLPSKWLFQWGEJ-DYVFJYSZSA-N 378.444 2.571 0 40 GFAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)NC1CC1 32904739 VNYIJKWIUUUYMU-CYBMUJFWSA-N 386.473 2.727 0 40 GFAB O=C(Cn1nnc(-c2ccsc2)n1)NCc1ccc(CN2CCCCC2)cc1 32903971 YICRDPCTXUZISH-UHFFFAOYSA-N 396.520 2.704 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3N3CCCN23)cc1 102684608 RNJVDKSWQXFFLJ-VAMGGRTRSA-N 377.444 2.539 0 40 GFAB CNC(=O)[C@H]1CCCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 33212806 QOLASXHFZMPUJW-OAHLLOKOSA-N 377.391 2.680 0 40 GFAB NC(=O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22054192 LVJDQBJDVOYDLA-NRFANRHFSA-N 387.911 2.549 0 40 GFAB in-vitro COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2N2CCCN12 102707156 UYAIITJPYFAEPS-CEXWTWQISA-N 397.862 2.884 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100181030 XIQNBFWWRVWDLR-OOZABLHZSA-N 394.475 2.930 0 40 GFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 20061325 DCHRZKOUXMLQPJ-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 102837738 FNVWNVGXEGGXJE-KFWWJZLASA-N 375.494 2.922 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(N)=O)c1 24879007 HVMVMHFQZMNTKO-UHFFFAOYSA-N 383.448 2.593 0 40 GFAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1ccccc1Cl 34870331 LOBSXMQHPUXGHL-UHFFFAOYSA-N 389.858 2.805 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 25617017 NLZFKZKODDKMGT-HNNXBMFYSA-N 388.489 2.729 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2N2CCCC2)CC1 12557372 MQFMPGSNRZDGTL-UHFFFAOYSA-N 385.917 2.550 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)c1 12522734 BNSDHVXXTRBLDO-INIZCTEOSA-N 395.459 2.523 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc(-c3cccnc3)cs1)C2=O 12516784 JDHAFYVJSKBLOF-HXPMCKFVSA-N 399.476 2.644 0 40 GFAB CC(=O)Nc1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)cc1 67898281 NJXGVTJTRFGXOE-UHFFFAOYSA-N 378.432 2.796 0 40 GFAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(c2ccccn2)CC1 57882290 MKRJNNDNXMWCBM-UHFFFAOYSA-N 375.476 2.775 0 40 GFAB O=C1CCCN1C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1 47795008 YFLHGAACXCFUOC-LJQANCHMSA-N 379.439 2.860 0 40 GFAB NC(=O)[C@H](NC(=O)c1cccc(-n2cc(Br)cn2)c1)c1ccccc1 58054509 MMXYPSPENDJJNT-MRXNPFEDSA-N 399.248 2.591 0 40 GFAB Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 27770746 ZWJVJYXTNDGVFR-AWEZNQCLSA-N 392.525 2.743 0 40 GFAB Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)sc1CC(N)=O 58378211 SFIRFNZFAHEPAP-PWSUYJOCSA-N 375.519 2.938 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 408591113 IPJXNERLQMNFGI-CXUHLZMHSA-N 386.791 2.896 0 40 GFAB O=S(=O)(NC1CCN(c2ncnc3ccsc23)CC1)c1cccs1 12782035 FDZFIANXYUJPGJ-UHFFFAOYSA-N 380.520 2.700 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(OC)ccc1OC 48368527 VFLJUYICHAFCIG-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCCCC1 3599433 OANLAHAISSTIOT-HSZRJFAPSA-N 391.471 2.689 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1 5012819 CCCLJJYGQOFNPC-UHFFFAOYSA-N 390.490 2.567 0 40 GFAB COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 4374470 NIGBUPIUEUIDBO-UHFFFAOYSA-N 386.235 2.674 0 40 GFAB COc1cc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)cc1Cl 4525828 RFOZCTLWLJEROV-UHFFFAOYSA-N 397.903 2.721 0 40 GFAB COc1ccc(OC)c(NC(=O)COc2ccc(Br)cc2CO)c1 5468229 NRQRBQIPKHRSEF-UHFFFAOYSA-N 396.237 2.976 0 40 GFAB Cc1ccccc1CN1CCCN(C(=O)CCCNC(=O)c2ccco2)CC1 27387764 KAEPLMYWWZMZLN-UHFFFAOYSA-N 383.492 2.833 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1Cl 4813824 PUMNDTYXPOIQBA-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(OCC)c(C)cc2OCC)CC1 4937422 WDIPSDGJBACCQZ-UHFFFAOYSA-N 399.509 2.756 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 6988732 SIQUNDRQPJEQRU-MRXNPFEDSA-N 385.913 2.986 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1C 15414956 UJRAOWAECLDWHM-SJORKVTESA-N 397.562 2.590 0 40 GFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1 7378086 NOQPTVVETAYJGD-INIZCTEOSA-N 379.526 2.674 0 40 GFAB O=C(NCC1(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 8980498 HRTZQAUMJMPBRF-UHFFFAOYSA-N 398.528 2.935 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 8187114 MIWLMYJQJXVCEY-QHCPKHFHSA-N 390.439 2.978 0 40 GFAB CCCOc1cc(C)c(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C 8132964 UQUNJYSIMXAXDJ-UHFFFAOYSA-N 384.498 2.555 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OC 22518386 CWFMPESGUQXCGD-CYBMUJFWSA-N 392.477 2.875 0 40 GFAB COc1cc(Br)c(CCNc2cn[nH]c(=O)c2Cl)cc1OC 9314623 DQPGJPBBXRFSSG-UHFFFAOYSA-N 388.649 2.858 0 40 GFAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 84028432 OSCNLDUVSXJQLW-UHFFFAOYSA-N 381.797 2.926 0 40 GFAB COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 95443817 RSTSYSYZBXXPLF-PKOBYXMFSA-N 391.493 2.581 0 40 GFAB CCc1nc(CN2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)no1 95956469 XNIUBZFOBMRXID-UHFFFAOYSA-N 375.281 2.958 0 40 GFAB O=C(C[C@H]1CCCCCN1C(=O)c1cccc(-n2cnnn2)c1)c1ccco1 79103350 YZTBQFVCJINGHC-MRXNPFEDSA-N 379.420 2.913 0 40 GFAB O=C(NCCC1=CCCCC1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408974955 GNPWLGXJQKVROE-UHFFFAOYSA-N 376.416 2.898 0 40 GFAB O=C(CN1CCN(Cc2cccc(OCc3ccccc3F)c2)CC1)NC1CC1 506743740 ODQBZOAJZOFHAR-UHFFFAOYSA-N 397.494 2.801 0 40 GFAB O=C(CSc1nncn1-c1ccccc1F)NCCOc1cccc(F)c1 521182871 ZZBIVEUCHRRBIG-UHFFFAOYSA-N 390.415 2.833 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1)C(C)C 36569357 PTTBSFBTTSPVPR-NVXWUHKLSA-N 390.871 2.918 0 40 GFAB Cc1cccnc1Nc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1 72353224 MTIIFWOXRFRNKE-KRWDZBQOSA-N 398.492 2.788 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218606607 KWDDTXHGUJXPFX-CMKODMSKSA-N 391.464 2.582 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)c1 70655982 NARVJQUZLOLWHO-QGZVFWFLSA-N 390.447 2.720 0 40 GFAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218535459 SDLAFJXOWAOMLD-ULQDDVLXSA-N 386.300 2.871 0 40 GFAB Cc1nc(C)n(CCC(=O)N2CC[C@H](c3c(C(N)=O)sc4ccccc34)C2)n1 72352480 JDUOOHXOPAEQAN-AWEZNQCLSA-N 397.504 2.615 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1F 223314479 LVKKUBATBPYHHA-NSHDSACASA-N 384.404 2.767 0 40 GFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc21 225128219 KGPYJVKJYATVCI-UHFFFAOYSA-N 388.464 2.646 0 40 GFAB COC(=O)C1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1 40287884 NXWZFUJPAPETJN-UHFFFAOYSA-N 379.507 2.812 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)ccc1Cl 223861807 GOYQPIBOSVQWCV-UHFFFAOYSA-N 383.853 2.956 0 40 GFAB CCCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225847738 MRMZVVOGXXERNN-UHFFFAOYSA-N 388.902 2.912 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C(C)C)C(C)C)CC2)cc1 225494876 PSZNFRKIYWQPKJ-UHFFFAOYSA-N 396.553 2.893 0 40 GFAB Cc1ccccc1N(CCCC(=O)NCCCN1CCCCC1)S(C)(=O)=O 222547700 OSCGVPOKYIAYDR-UHFFFAOYSA-N 395.569 2.533 0 40 GFAB O=S(=O)(c1cccs1)N1CCC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 96222965 DGIAZYMLHMQBBF-RHSMWYFYSA-N 379.507 2.567 0 40 GFAB Cc1cnc(N2CCc3cc(C(=O)N(C)C)c(NCC(C)C)nc3CC2)nc1 96260510 ZUGHIHGRAFFXIS-UHFFFAOYSA-N 382.512 2.555 0 40 GFAB O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H](c1ccccc1)n1cnnn1 95475033 ZPEOHKOVEGGQCA-LJQANCHMSA-N 390.472 2.745 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCc1nc(O)n[nH]1)CC1CCCCC1 585088752 SJAQYKFHOMRELL-AWEZNQCLSA-N 395.504 2.770 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1cc(=O)c2ccccc2o1 253400827 LZKDOWFPVWSXFN-OAHLLOKOSA-N 384.457 2.906 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 260812976 NQNJYFRMBKIAFV-AUUYWEPGSA-N 388.489 2.653 0 40 GFAB CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 363512565 WAQHGLBPLUQCQK-GXRSIYKFSA-N 385.552 2.609 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](C)(O)Cc3ccsc3)cc2)co1 618256423 HXPDAHXRZDLCKA-SFHVURJKSA-N 392.502 2.984 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N[C@@H]4CCc5c(nnn5C)C4)ccc32)c1 616702976 LKTHALFRYFPEFV-MRXNPFEDSA-N 386.459 2.750 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 585110359 KCMSWSJLBYQXTQ-UHFFFAOYSA-N 393.466 2.992 0 40 GFAB Cc1ccc(OS(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 5746159 APUVMANJXIBUFT-MRXNPFEDSA-N 380.510 2.589 0 40 GFAB CCN(c1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1)C(C)C 11385120 XIHUWJFKNZQAJW-UHFFFAOYSA-N 389.496 2.806 0 40 GFAB Cc1ccnn1CCC(=O)N1CCC(c2ncncc2-c2ccncc2)CC1 12118688 AXNUZLKHIPNOGC-UHFFFAOYSA-N 376.464 2.840 0 40 GFAB CC(C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232946 JRXQCGKJKGBZFJ-OAHLLOKOSA-N 397.504 2.781 0 40 GFAB COc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc1 12406657 JOVDEAJQNAFAPO-KRWDZBQOSA-N 390.505 2.517 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccc3c(c2)OCO3)n2nc(-c3cccc(C)c3)nc2N1 13123604 HQSQFZUCRQFSSR-SFHVURJKSA-N 389.415 2.756 0 40 GFAB aggregator Cc1cccnc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 14164683 IRLGUEOLMRBFSC-CQSZACIVSA-N 394.460 2.796 0 40 GFAB Cc1ccc(CSCCNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 17603968 IBKFSWTYBOGQHW-UHFFFAOYSA-N 381.501 2.834 0 40 GFAB CCOC(=O)N1CCC(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)CC1 18192529 VGIYKRHMMNHVTQ-VMPITWQZSA-N 394.855 2.634 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 19374386 GJFBWMRMUWIQFX-MRXNPFEDSA-N 389.408 2.638 0 40 GFAB COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC(CCN(C)C)CC2)CC1=O 19664911 MJYKRKLKLSPVKW-GOSISDBHSA-N 387.524 2.547 0 40 GFAB C[C@H](CN(C)C(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O)c1ccccc1 19746295 LGQNQPFINGGBCU-QGZVFWFLSA-N 395.503 2.783 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)cc1 12225542 ABSHFVGECAUGNH-UHFFFAOYSA-N 380.444 2.801 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 5450027 FYWWBOSUMIXSFA-JOCHJYFZSA-N 392.411 2.554 0 40 GFAB O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1ccccc1-c1nnn[nH]1 36752378 KOFWCFHXIHJVHZ-IBGZPJMESA-N 376.464 2.824 0 40 GFAB O=C(CSc1ccc(F)cc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 238870010 MRBXOKFLIIRPEU-UHFFFAOYSA-N 387.411 2.650 0 40 GFAB O=C(CCc1ccccc1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985357 HDLPWCGOOWIBCW-CTNGQTDRSA-N 378.472 2.900 0 40 GFAB COc1cnc(O[C@@H]2CCN(c3ncc(Br)cc3Cl)C2)nc1 2087065710 HSODBGRAMKFGKJ-SNVBAGLBSA-N 385.649 2.954 0 40 GFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 727714 XEGCSRPOSDOXDK-CYBMUJFWSA-N 399.241 2.697 0 40 GFAB biogenic,in-vitro COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)c1 3008539 VULLQVNIPHQXNP-UHFFFAOYSA-N 397.456 2.870 0 40 GFAB COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccc(Cl)cc3)N2)cc1 4279767 JAECVBXIWHCBHT-KRWDZBQOSA-N 395.850 2.786 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n2cccc(C)c2n1 4504204 ZLCDGLIVNIBWEX-UHFFFAOYSA-N 390.852 2.791 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1 5136857 ARSJDYNPIISIAB-UHFFFAOYSA-N 394.518 2.762 0 40 GFAB Cc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1C 5251821 SZBRUYZZMRPQIV-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccsc2)CC1 2055734709 NBNCMRGEDAVVLQ-UHFFFAOYSA-N 375.469 2.649 0 40 GFAB COc1cccc2sc(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)nc12 2086889575 WRBZBLNEXQSENE-GFCCVEGCSA-N 381.523 2.698 0 40 GFAB COc1ccc([C@H](CNC(=O)CCn2cnnn2)c2c[nH]c3ccccc23)cc1 524735772 XZBUFAFVEYEBQM-SFHVURJKSA-N 390.447 2.501 0 40 GFAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncnc3ccc(F)cc23)C1 585606241 VDYWMOCUXGSEJC-UHFFFAOYSA-N 388.406 2.524 0 40 GFAB CN(C)c1nc(N(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2Cl)n1 2301004 ZXDZHYSDCVUSHN-UHFFFAOYSA-N 396.282 2.677 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCN1CCc2ccccc2C1 30362720 AJHPGJQBQFVESL-NRFANRHFSA-N 397.494 2.755 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1C 40134097 IMEQMVNPDHAWPQ-CYBMUJFWSA-N 387.871 2.653 0 40 GFAB CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1 2494323 FWVNESRONZZDRS-UZLBHIALSA-N 391.537 2.583 0 40 GFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1cccs1 11292369 XOLHMRAQBYZADX-QAPCUYQASA-N 385.489 2.725 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1 932399 JYNZQZIFQZJCBW-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB COc1cc(NC(=O)NC2CCN(Cc3ccccn3)CC2)ccc1NC(C)=O 45755053 KCVGTVKYWJYPPF-UHFFFAOYSA-N 397.479 2.835 0 40 GFAB O=C(COC(=O)c1cc2ccccc2o1)NC(=O)Nc1ccc2c(c1)OCCO2 4563577 VDFQGECFDHZAFH-UHFFFAOYSA-N 396.355 2.709 0 40 GFAB CC(C)C(=O)N1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 57994022 XUAAFKVEXOYOKA-UHFFFAOYSA-N 390.871 2.649 0 40 GFAB CCOc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 8138995 WJNYOLAMWKKPEG-CYBMUJFWSA-N 387.388 2.763 0 40 GFAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475909 JEGZZQNDRMQGJG-UHFFFAOYSA-N 392.477 2.951 0 40 GFAB Cc1cc(C)n(CC(=O)Nc2ccccc2Oc2ccccc2)c(=O)c1C(N)=O 32876442 XVUOITRWOUGOJS-UHFFFAOYSA-N 391.427 2.995 0 40 GFAB Cc1cccc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1 100738279 XDXMEFXISZGGRX-PMACEKPBSA-N 379.504 2.987 0 40 GFAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1C 52518711 FZUWCWYLMFHQOH-FQEVSTJZSA-N 386.517 2.584 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)c1ccc2c(c1)OCCCO2 9516781 CJYGAIJWBQYRDC-UHFFFAOYSA-N 398.444 2.807 0 40 GFAB C[C@H]1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 20670957 QGRFOYBHKLQSSI-LBPRGKRZSA-N 389.814 2.953 0 40 GFAB CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)c2cccnc2)cc1 787354 AAZIPMYCLWYDRM-UHFFFAOYSA-N 393.424 2.886 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CC[C@H]2CCCC[C@H]2C1 22774673 FJCLUYCXDVVERW-UXHICEINSA-N 399.535 2.572 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(C)c1 805058 WYBRCVPPNRFTAV-UHFFFAOYSA-N 387.505 2.637 0 40 GFAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)N4CCCN4[C@H]3C2=O)cc1 102711026 HNVIFFAQTNUKSF-VAMGGRTRSA-N 379.435 2.924 0 40 GFAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1 993318 XQWXCTJEFMDOBH-KRWDZBQOSA-N 395.411 2.561 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350553 BEFNMJDZNBWZLI-UHFFFAOYSA-N 387.509 2.803 0 40 GFAB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3[nH]c(=O)[nH]c(=O)c32)cc1OC 103526805 MAUSUAGJSHGEKZ-AWEZNQCLSA-N 377.400 2.679 0 40 GFAB CCN1CCc2nc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)sc2C1 23802589 WJXBEQPNKGXFRQ-UHFFFAOYSA-N 393.534 2.632 0 40 GFAB NC(=O)COc1cccc(NC(=O)c2ccc(OCc3cccnc3)cc2)c1 24434595 BAKGVPOOKFPZRK-UHFFFAOYSA-N 377.400 2.777 0 40 GFAB CCc1ncc2c(n1)CN([C@H](C)C(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 106375335 ZTZUJCDXUMAEAS-OAHLLOKOSA-N 393.491 2.551 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 22527840 ZSBYKJPEQQQEAN-HNNXBMFYSA-N 393.484 2.624 0 40 GFAB CN(C)CCSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 57651010 QNXVJEJFALUFIM-UHFFFAOYSA-N 379.489 2.746 0 40 GFAB Cc1ccccc1OCCN(C)C(=O)CCn1cnc2c(C)cccc2c1=O 27159388 IJYHRZXZDFAMPP-UHFFFAOYSA-N 379.460 2.941 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1 58186233 RURCSRFRGGGFOR-UHFFFAOYSA-N 376.478 2.614 0 40 GFAB O=C(O)CCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2105670 QWFUCEJWHAXXRV-UHFFFAOYSA-N 381.384 2.820 0 40 GFAB biogenic COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C 119957244 QFEJBOHKXPPXIT-UHFFFAOYSA-N 388.489 2.605 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1 3378122 RFRUJSRINOIMKJ-PKNBQFBNSA-N 399.399 2.686 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1 12847022 ALFJGZBYISGVSN-UHFFFAOYSA-N 390.461 2.756 0 40 GFAB O=C([C@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc2O1)N1CCCCC1 7825296 ZWBPXVZDHLVPKX-HXUWFJFHSA-N 394.427 2.836 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 12987212 GZKKWAGTFCNASD-SFHVURJKSA-N 395.532 2.961 0 40 GFAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(-n2cncn2)cc1 12904855 HJDCOROZVHRRNL-MRXNPFEDSA-N 389.459 2.881 0 40 GFAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NCCCO)ccc12 13689402 MXLUCSYWPXWMNQ-UHFFFAOYSA-N 395.455 2.878 0 40 GFAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1 67896598 FHAYVIYRIKBHLJ-IFMALSPDSA-N 382.460 2.539 0 40 GFAB biogenic,in-vitro O=C(CSc1nc2ccccc2c(=O)n1-c1cccnc1)NCc1ccco1 6107803 UPDSXOYMPXKKOD-UHFFFAOYSA-N 392.440 2.782 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1C 4319523 ZMQOTAATDUEIDU-RDGKXADDSA-N 389.448 2.928 0 40 GFAB O=C(CCNC(=O)c1ccc(Cl)cc1)OCc1nc2ccsc2c(=O)[nH]1 13986801 YVDHHMIDWNLUOX-UHFFFAOYSA-N 391.836 2.501 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c1C 14071353 LZZOCFNQTTUAKC-UHFFFAOYSA-N 379.460 2.728 0 40 GFAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(C)c1 14137423 OALPFKOOBSNGTG-JOCHJYFZSA-N 393.443 2.559 0 40 GFAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C 4512237 LTAQTXWISYBHFG-ZWKOTPCHSA-N 392.521 2.884 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(Cl)cc1 8314297 ANSFHEIYUMTLSB-UHFFFAOYSA-N 391.830 2.696 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 8395078 QAFFFSYNWYULGB-HXUWFJFHSA-N 383.467 2.929 0 40 GFAB C[C@H](CC(=O)NCc1ccco1)CC(=O)N1CCN(c2ccccc2F)CC1 4677737 XFCWWAZLEIMTCX-MRXNPFEDSA-N 387.455 2.800 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)c1 4761281 OGCFMMWEEXBGBE-INIZCTEOSA-N 384.457 2.771 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc(N3CCC[C@@H](C)C3)nc2N)cc1Cl 71771553 HLPWGWDODVRXBX-LLVKDONJSA-N 396.900 2.790 0 40 GFAB C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@H](C)N1CCOCC1 97212388 BRGDBBLYYXUXSW-RYUDHWBXSA-N 398.385 2.594 0 40 GFAB C[C@@]1(CO)CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl 84673411 RPEIYRFMXCDQNE-OLZOCXBDSA-N 382.707 2.932 0 40 GFAB CCN(Cc1nonc1C)C(=O)[C@H](C)Cn1nc(C)c(Br)c1C 28233046 MIASGDFJDUAJKO-SECBINFHSA-N 384.278 2.639 0 40 GFAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)N[C@H](C)c1nnc2ccccn12 95479685 ZZKYUCJHDPFNLX-CYBMUJFWSA-N 378.411 2.987 0 40 GFAB C[C@@H]1CCO[C@@H]1C(=O)NC[C@]1(C)C[C@H](NC(=O)[C@H]2OCC[C@H]2C)CC(C)(C)C1 95979661 PQHRHACFUFRSPA-ZPDCCAPASA-N 394.556 2.654 0 40 GFAB Cc1csc(N2CCN(C(=O)[C@H]3CCn4c(cnc4C(F)(F)F)C3)CC2)n1 95993096 USLWRZBIQRLLQJ-LBPRGKRZSA-N 399.442 2.578 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 22527831 ZSBYKJPEQQQEAN-OAHLLOKOSA-N 393.484 2.624 0 40 GFAB COc1ccc(C(=O)[C@H](NCCc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1547139615 VLMWGAGKVOYXOK-IBGZPJMESA-N 394.427 2.814 0 40 GFAB biogenic O=C(NCCCOC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 128214381 PQXIMANFTRQQIF-KRWDZBQOSA-N 394.537 2.553 0 40 GFAB Cn1nc2c(c1NC(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CSC2 524735292 OSIHPTRTBRPQER-UHFFFAOYSA-N 382.445 2.687 0 40 GFAB Cc1nc([C@@H]2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C2)n[nH]1 561131003 KXQCBQYFPOEHTB-LLVKDONJSA-N 389.872 3.306 0 40 GFAB CC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)C1 72369600 VSZBHACNXAKDJI-KRWDZBQOSA-N 397.523 2.673 0 40 GFAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 41184878 OSZOCEWORBQGHH-UHFFFAOYSA-N 392.843 2.623 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222882023 YGCLRLGIMDUKKU-CQSZACIVSA-N 388.439 2.549 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 223328426 QDXLCKOQJAXRPW-UHFFFAOYSA-N 396.808 2.752 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 40160867 VXWJFLGGXUCKNK-HUUCEWRRSA-N 378.469 2.630 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 222813172 MOIQRCDOWLUODD-HNNXBMFYSA-N 388.489 2.602 0 40 GFAB CCc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 224077128 OFESSHCXXIYQCV-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220452308 SKUJOWMBTIJVNO-LLVKDONJSA-N 396.415 2.961 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)NCc3ccccc3)c(=O)cc2OC)cc1 96101080 JMDQWYRUXBJJDD-HNNXBMFYSA-N 393.443 2.805 0 40 GFAB COc1ccccc1C1(C(=O)NC[C@]2(O)CCc3ccccc3C2)CCOCC1 90611513 KWCBDONJHKVQNU-QHCPKHFHSA-N 395.499 2.780 0 40 GFAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]43)[nH]nc21 668823662 KREGSKMOARVYIP-ZNMIVQPWSA-N 392.463 2.597 0 40 GFAB Cc1csc(Sc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)n1 65476477 WZFUJVXNZDSABI-AWEZNQCLSA-N 397.547 2.965 0 40 GFAB O=C(c1cscn1)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615158065 DRMJEIYPHVVXES-ZWKOTPCHSA-N 390.505 2.503 0 40 GFAB CCc1nn(CC(=O)N2CCc3ccccc3C2)c(=O)c2cc3sccc3n12 12115302 QVCWJKSSOZUNPI-UHFFFAOYSA-N 392.484 2.858 0 40 GFAB CC(=O)N1c2ccc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)cc2C[C@@H]1C 12204662 SCYYAKRYZXNZHO-JTQLQIEISA-N 396.472 2.853 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccncc1)N(Cc1cnc(N)nc1)CC2 12363854 RHRSXZXULWMWCS-FQEVSTJZSA-N 377.448 2.619 0 40 GFAB COCCNC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12781496 JTFQQSADBUAOAN-KRWDZBQOSA-N 396.896 2.512 0 40 GFAB COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(N(C)S(C)(=O)=O)cc1OC 13582568 UKPNGOUJQQMFII-UHFFFAOYSA-N 392.477 2.969 0 40 GFAB Cc1ccccc1CNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 14154419 ODUQRDGWSJVQRH-UHFFFAOYSA-N 384.860 2.870 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 14937026 AJGZBKNDGRRSIO-ZDUSSCGKSA-N 387.461 2.733 0 40 GFAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 16601500 GQDVAUDLJPWGMJ-HNNXBMFYSA-N 378.538 2.881 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccc3F)C2)c2cccnc21 19021846 JDWCTAAWCUOVRE-KRWDZBQOSA-N 381.455 2.696 0 40 GFAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)Cc2cccc(C)c2)C3)C1 19234791 AADAMBQNOGHELU-LJQANCHMSA-N 392.503 2.638 0 40 GFAB Cc1cccc(O[C@@H](C)c2nnc(NC(=O)c3ccc(=O)n(C)n3)s2)c1C 19235702 DZBOQJQLDDVICK-LBPRGKRZSA-N 385.449 2.641 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccccc1OCC(=O)O 100141126 QGJCPPSFPNXNCS-NVXWUHKLSA-N 378.432 2.763 0 40 GFAB CC(C)CC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694078 XCKSQDMEYJPZAS-UHFFFAOYSA-N 377.872 2.799 0 40 GFAB CN1CCN(C(=O)CCc2c[nH]c3ccccc23)C[C@@H](Cc2ccccn2)C1=O 19696819 VZOSLEAKPONKEV-GOSISDBHSA-N 390.487 2.655 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)CC1 257240767 HVCLOKCJOGITFV-ULQDDVLXSA-N 379.526 2.764 0 40 GFAB COc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1S(N)(=O)=O 11106341 ZHOIDZNTCDMKBB-UHFFFAOYSA-N 389.351 2.718 0 40 GFAB O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCOCC2)nc1 11153636 IYQAKOGSOMRSCQ-UHFFFAOYSA-N 396.274 2.920 0 40 GFAB O=C(CN1CCC(C(=O)N2CCC(F)(F)CC2)CC1)Nc1ccccc1F 1888929993 PUCOMWFEFBXQNW-UHFFFAOYSA-N 383.414 2.734 0 40 GFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 32691607 UGKYDFUUXYRJFH-LSDHHAIUSA-N 375.469 2.919 0 40 GFAB O=C(CC1(O)CCC1)N1CCC2(CC1)C[C@H](C(=O)N1CCCC1)c1ccccc12 1614936615 AEHBUTVPVXSAES-IBGZPJMESA-N 396.531 2.962 0 40 GFAB Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(=O)C3(F)CCC3)C2)C1 1614947891 OGWFORZGWMFYQW-IBGZPJMESA-N 379.476 2.625 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(F)cc1 11665746 AXRZIWZOBIPWBG-UHFFFAOYSA-N 383.770 2.759 0 40 GFAB CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccccc3F)cc2C1 17316619 UZYQEMNGEHTGHA-UHFFFAOYSA-N 392.452 2.551 0 40 GFAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC(C(N)=O)CC3)c(O)n2n1 22853767 GVQRVWPZSGDVPK-MRXNPFEDSA-N 399.520 2.654 0 40 GFAB Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 1775969272 IANATEJOLVPSJT-UHFFFAOYSA-N 381.885 2.918 0 40 GFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(O[C@H]2CCSC2)nc1 225712076 OLZDVHYGDXUYNB-HNNXBMFYSA-N 382.445 2.946 0 40 GFAB COc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3)c2N)cc1 33171829 JCFZFGKTXWGXIX-UHFFFAOYSA-N 396.472 2.594 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2C1=O 40154817 OJADATUIJCLCLF-UHFFFAOYSA-N 390.403 2.515 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1cccnc1N1CCCC1 40121047 LTZIHUHURHNWSV-LJQANCHMSA-N 395.507 2.704 0 40 GFAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16025013 BKBWMJHSTIUDBM-KZDUYQQSSA-N 389.883 2.515 0 40 GFAB Cc1nn(CC(=O)Nc2cnc3c(cnn3C(C)C)c2)c(=O)c2ccccc12 29066812 CNWKIHJWOLEGLS-UHFFFAOYSA-N 376.420 2.669 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4[C@H](C)CCC[C@H]4C)cnc32)cc1 1330693 KSJIGEZGCJILON-HZPDHXFCSA-N 379.464 2.680 0 40 GFAB O=C(Nc1ccc2c([C@@H](C(=O)O)N3CCOCC3)c[nH]c2c1)c1ccccc1 31810185 NMBVFSKTEVIAMW-IBGZPJMESA-N 379.416 2.878 0 40 GFAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC(N)=O 3521449 AKAXKDBUYLOABG-NSHDSACASA-N 385.424 2.749 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O)c1ccc(F)cc1 3596659 VYFAPTQOKJNWCX-KBXCAEBGSA-N 383.423 2.556 0 40 GFAB COc1ccc(C2=C[C@@H](c3ccc(OC)c(OC)c3)n3nnnc3N2)cc1OC 101118772 FQZGPOAWWPAHHD-HNNXBMFYSA-N 395.419 2.764 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885748 RJLMGMCXBGHCTN-NWZZKEMCSA-N 398.484 2.828 0 40 GFAB Cc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)NCCCc1ccccc1 4895775 SHAZLNOBIBYJPA-MHZLTWQESA-N 386.517 2.740 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C)c2)cc1 8413275 CDWLWACZJKXYCY-UHFFFAOYSA-N 397.431 2.854 0 40 GFAB Cc1c(CCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(=O)oc2cc(O)ccc12 11867136 DOXLFTXIBWNBEV-QRQCRPRQSA-N 385.460 2.893 0 40 GFAB biogenic C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 2645470 VMCQLBVUJOQMCT-LJQANCHMSA-N 389.358 2.694 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1 2637161 RVVZAYATHIMWHH-UHFFFAOYSA-N 382.507 2.826 0 40 GFAB CNC(=O)C1CCN(Cc2csc(N(C(C)=O)c3ccccc3F)n2)CC1 32865546 ZWHJYJORTYUAOB-UHFFFAOYSA-N 390.484 2.925 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 9232199 VHSUCJCYEMIEPC-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3nccnc3N)c2)cc1C 32904988 ICYIIXGNVYIDRY-UHFFFAOYSA-N 397.460 2.729 0 40 GFAB CCOc1ccc(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 9498425 UETJQWSSNYMITA-CYBMUJFWSA-N 394.518 2.702 0 40 GFAB Cc1c(Cl)cn2c(=O)cc(COc3ccccc3C(N)=O)nc2c1Cl 2652681 BDWXUPYLYBMRNO-UHFFFAOYSA-N 378.215 2.988 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 33019426 MHNCWRPEZMMZPV-MRXNPFEDSA-N 378.425 2.535 0 40 GFAB CN1CCN([C@@H](c2ccccc2Cl)c2nnnn2CCc2ccccc2)CC1 20142351 LGYPWORODCTCEQ-FQEVSTJZSA-N 396.926 2.906 0 40 GFAB CSc1ccccc1N1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 22772760 SRVIXTSKUWYWAS-IBGZPJMESA-N 395.528 2.858 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 23053953 JYQCSQFTYWAXDF-CQSZACIVSA-N 390.461 2.564 0 40 GFAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(C(=O)O)cc1 957783 CLXNVVVMAUENRB-UHFFFAOYSA-N 383.429 2.674 0 40 GFAB CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 21722553 ZLGYLYQWDSEOLJ-UHFFFAOYSA-N 383.477 2.951 0 40 GFAB COc1ccc(-c2nn3c(O)cc(CCn4nc(C)nc4C)nc3c2C)cc1 100776354 JVPDSDAPQIYQOR-UHFFFAOYSA-N 378.436 2.870 0 40 GFAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 113934778 RQPDZUUJZAHMMF-UHFFFAOYSA-N 384.860 2.870 0 40 GFAB CN(CC(=O)Nc1ccccc1N1CCCC1)Cc1nc(=O)c2ccccc2[nH]1 12517350 SVLVWZSDQHHJBN-UHFFFAOYSA-N 391.475 2.594 0 40 GFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cn1 12551537 ZEUCHJQXSVUGNS-NSHDSACASA-N 375.812 2.744 0 40 GFAB O=C(NC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10146563 PURUKGASOOSQTA-KRWDZBQOSA-N 378.881 2.508 0 40 GFAB O=C1C[C@@H](C(=O)Nc2cccc(C(=O)O)c2)n2ncc(-c3ccc(F)cc3)c2N1 35685043 LNODAEADSBBYIY-INIZCTEOSA-N 394.362 2.909 0 40 GFAB CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 108683880 IVUXRZJTDCMPJI-MRXNPFEDSA-N 386.473 2.581 0 40 GFAB CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](Sc2ccccc2)C(C)C)CC1 58297839 QJZNXRXGZAMMJR-FXAWDEMLSA-N 391.581 2.862 0 40 GFAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCCCC4)C3=O)ccc2c1 3350047 FLYADQORINOBJN-JOCHJYFZSA-N 395.459 2.628 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c1 3344275 DIISTUBAVKNOPB-CQSZACIVSA-N 397.431 2.808 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 48278766 JQMMGXDLAXGSPH-UHFFFAOYSA-N 396.516 2.767 0 40 GFAB CCN(CC)c1ccccc1COC(=O)CN(C)S(=O)(=O)c1ccccc1 48313257 ALZQEFXBLBXQKJ-UHFFFAOYSA-N 390.505 2.897 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCCC2=CCCCC2)c1C 3426759 DPBVHSHSKNTJSW-UHFFFAOYSA-N 376.453 2.972 0 40 GFAB COc1ccc(-c2nn(Cc3ccccc3)cc2/C(O)=N/S(C)(=O)=O)cc1 48480102 SDXXAEDYERVWAN-UHFFFAOYSA-N 385.445 2.871 0 40 GFAB C[C@H](C(=O)NCc1ccc(Cn2cccn2)cc1)n1c(=O)oc2ccccc21 12984466 KKGIIHKCTKVQNA-OAHLLOKOSA-N 376.416 2.717 0 40 GFAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 6087645 QURUPVGYMBCPPD-UHFFFAOYSA-N 396.472 2.934 0 40 GFAB CC(C)N(C(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(C)C 17055992 MXCVIIRWRKIVTQ-LBPRGKRZSA-N 389.901 2.934 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4c(F)cccc4Cl)[C@H]3C2=O)cc1 4483424 YCDYCTSTZLKMNI-HZPDHXFCSA-N 388.786 2.981 0 40 GFAB CCC[C@@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 14015303 KQCAJJQRUSUBFV-WMLDXEAASA-N 385.489 2.771 0 40 GFAB C[C@H]1CN(Cn2nc(-c3cccs3)n(C[C@@H]3CCCO3)c2=S)CCO1 14242288 WPXAPKQUKKRRNY-KBPBESRZSA-N 380.539 3.000 0 40 GFAB CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)COc1ccccc1F 5567791 SVUZKBQPOZKSNJ-UHFFFAOYSA-N 395.456 2.703 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCC(C)C)cc1Cl 20068933 HQLCXLFTJRMCIL-GJZGRUSLSA-N 395.916 2.780 0 40 GFAB COc1ccc(C2=NO[C@@H](Cc3c(C=O)c(OC)c4c(c3OC)OCO4)C2)cc1 14988163 LJXGUUUALGDXJW-AWEZNQCLSA-N 399.399 2.989 0 40 GFAB O=C([C@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1)N1CCOCC1 7112333 ZGZKXTVIGFAJRO-MRXNPFEDSA-N 382.445 2.824 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2ccc(-n3cccn3)cc2)cc1 7111737 GWOYWTIEYXNYFT-INIZCTEOSA-N 393.443 2.785 0 40 GFAB Cc1occc1-c1nnc(SCc2nc(N)nc(N)n2)n1Cc1ccccc1 7112066 ZUHMQGPUGWUTRR-UHFFFAOYSA-N 394.464 2.537 0 40 GFAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 7131343 KBIAJHVQAOETSZ-YJYMSZOUSA-N 379.407 2.523 0 40 GFAB CONC(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8768058 OQYWDHPCNXNEFO-JTQLQIEISA-N 375.475 2.951 0 40 GFAB O=C(CCC(=O)c1cccs1)NC[C@@H](c1cccs1)N1CCOCC1 22465368 DILYYFNQDRFMSX-AWEZNQCLSA-N 378.519 2.962 0 40 GFAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(c2cccc(Cl)c2)CC1 8990411 TYRSVMQAGFLXBZ-MRXNPFEDSA-N 385.899 2.695 0 40 GFAB Cn1c(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc(Cl)c1Cl 89741057 ZTMHOSVQEZMKJI-KBPBESRZSA-N 382.291 2.697 0 40 GFAB CCOCCCNC(=O)c1c(NC(=O)c2csnn2)sc2c1CCCC2 9250841 ZQPHUWKIQPNPIG-UHFFFAOYSA-N 394.522 2.887 0 40 GFAB CC(C)n1c(CCNC(=O)c2ccc(Br)cc2O)n[nH]c1=S 84633019 IXPNQDWSAXUVDN-UHFFFAOYSA-N 385.287 2.962 0 40 GFAB C/C=C/c1ccc(OCC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c(OC)c1 78815475 GVXUSVUIDJVTCJ-GIZXNFQBSA-N 387.457 2.752 0 40 GFAB CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89385915 VDBYWVGYPVEBOA-CABCVRRESA-N 384.263 2.614 0 40 GFAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccsc5)CC4)nccn23)cn1 306128218 GUORZSXWJBFYOI-UHFFFAOYSA-N 379.493 2.514 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1C 409097699 NVKAJQFJSMSBSS-GZTJUZNOSA-N 379.416 2.843 0 40 GFAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)n2)c1 72349692 GUBATYSKIWKTKR-LJQANCHMSA-N 395.503 2.795 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380557 GXFBUHMWUCVPIM-CYBMUJFWSA-N 387.509 2.867 0 40 GFAB CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2cccc3c2CN(C)C3=O)cn1 561166431 LWWASZVGUNTOIV-ZWKOTPCHSA-N 383.452 2.530 0 40 GFAB O=C(NCc1ccc(-n2cccn2)cc1)c1nc(N2CCCC2)ncc1Cl 40142125 VXIAXFHDNXJLBU-UHFFFAOYSA-N 382.855 2.846 0 40 GFAB C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224004342 PIBNCYIRJCGUGB-ZDUSSCGKSA-N 398.887 2.993 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 224047639 FGIRUAHJJNLWLI-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB COCc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)ccc2[nH]1 44892933 UGZWLIIDYFECBI-ZDUSSCGKSA-N 394.431 2.710 0 40 GFAB CCN(c1ccc(C(=O)NCCCN(C)C)cc1)S(=O)(=O)c1ccccc1 224362283 CVCCNSGFHDABAF-UHFFFAOYSA-N 389.521 2.583 0 40 GFAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)nc1 223606937 VJSLXNJJYNHLTL-WOJBJXKFSA-N 393.516 2.931 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)N3CCC[C@@H](C)C3)c(=O)cc2OC)cc1 96101066 RJEIPNDYMARLMG-CABCVRRESA-N 385.464 2.747 0 40 GFAB COCCN(C)c1nc(C2CCN(Cc3cccnc3)CC2)cc2c1ncn2C 96099965 RLCGTWCZMFDFQD-UHFFFAOYSA-N 394.523 2.826 0 40 GFAB COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)ccc2nsnc12 96231631 OBSMLAGYEWXCDS-JTQLQIEISA-N 388.401 2.829 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3)C2)c1F 245060718 PXRKLMOAOUASFV-GFCCVEGCSA-N 385.848 2.674 0 40 GFAB CCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257235875 GZXNPQGMGQSEAH-HIAJTZQDSA-N 385.508 2.907 0 40 GFAB O=C(OC[C@H]1CCCCN1C(=O)Cc1ccc(Cl)s1)N1CCOCC1 585082641 XORBNJUTZFAQSH-CYBMUJFWSA-N 386.901 2.794 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)CC2)n1 253537253 HRDHLFIMQHDMSJ-UHFFFAOYSA-N 394.397 2.837 0 40 GFAB CC1(C)Oc2ccc(NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2O1 616697438 IBVOVRZKDAWUSK-UHFFFAOYSA-N 399.422 2.620 0 40 GFAB Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)c1C 653327127 RASYJDOWHBSWBV-ROUUACIJSA-N 387.457 2.750 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](OCc4cccnc4)CCO3)C2)cc1 575402966 GDESVYJGNNOYDS-GOSISDBHSA-N 388.489 2.529 0 40 GFAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290968 YMNLTPRQDGIPAA-LLVKDONJSA-N 392.341 2.893 0 40 GFAB C[C@]12CN(Cc3cccc4ncccc34)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 72341894 CQFCJLAHDJAVKO-MBSDFSHPSA-N 386.455 2.807 0 40 GFAB Nc1ncnc2c1C(=O)N([C]1C=CC(=C3CCC(CC(=O)O)CC3)C=C1)CCO2 1560406069 JUZYMMMRGSTUTG-UHFFFAOYSA-N 395.439 2.513 0 40 GFAB CCS(=O)(=O)c1ccc(NCC(=O)Nc2cc(C(=O)OC)ccc2C)cc1 11039147 PKYDIWVSZFAMCF-UHFFFAOYSA-N 390.461 2.626 0 40 GFAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 12088046 RJPQYLGETGVVKY-HOTGVXAUSA-N 378.476 2.534 0 40 GFAB CCc1nn(CC(=O)NCCc2ccc(F)cc2)c(=O)c2cc3ccsc3n12 12114329 GSLJNRZOLIKLHU-UHFFFAOYSA-N 398.463 2.771 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12182426 SNIKINPWQAKMLL-XJKSGUPXSA-N 379.464 2.617 0 40 GFAB O=C(O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CCN1CCN(c2ccccc2)CC1 12481360 QCVGCYITCBLKIY-PMACEKPBSA-N 399.535 2.548 0 40 GFAB biogenic,in-vitro 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@H]1C(=O)CO 13719540 VWVSBHGCDBMOOT-SQQNWLPGSA-N 376.468 2.781 0 40 GFAB O=C(Nc1ccc(C(=O)Nn2cnnc2)cc1)c1ccc(Br)cc1 14405751 GNPIDTTZZPZVFQ-UHFFFAOYSA-N 386.209 2.677 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)[C@H](C)c4ccccc4)[C@H]3C2)cc1 19211697 QKAVXMPGMXDMDM-LMQGHGSNSA-N 398.528 2.924 0 40 GFAB O=C([C@H]1CCCCO1)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N2CCCC2)n1 19404096 QVIRKIIMJFLJRN-QZTJIDSGSA-N 396.495 2.700 0 40 GFAB CNC(=O)c1cc([C@H]2CN(c3nc(C)cc(C)n3)CCO2)nc2ccccc12 19759519 PKQSLICLISRMTL-LJQANCHMSA-N 377.448 2.579 0 40 GFAB NC(=O)CCN1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19760996 LVSDMSMEYUQQJF-CYBMUJFWSA-N 395.488 2.608 0 40 GFAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2cnccn2)n1C)c1ccccc1 155616494 QJJZOKJVWGJACB-INIZCTEOSA-N 382.493 2.974 0 40 GFAB O=C(CNc1cccc(Cl)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11120905 REPAFGUZXQZYJU-QGZVFWFLSA-N 378.881 2.972 0 40 GFAB CC(C)Oc1ccc(C(=O)N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cn1 1888864173 GNRZUHWMWUFNMR-QZTJIDSGSA-N 393.491 2.745 0 40 GFAB COCCn1cnc2c(N3CCN(c4cc(Cl)ccc4C)CC3)ncnc21 1888913437 DOGBGUQNTYFYII-UHFFFAOYSA-N 386.887 2.761 0 40 GFAB Cn1c(N2CCN(c3nc4ccccc4s3)CC2)nc2ccsc2c1=O 1889021137 CKVZDOVTAWEAEE-UHFFFAOYSA-N 383.502 2.931 0 40 GFAB Cc1nnc2c(N3CC[C@H](COc4cccc(C(F)(F)F)n4)C3)nccn12 1889148911 ZESKSNAPHQGTAD-LBPRGKRZSA-N 378.358 2.752 0 40 GFAB COc1ncccc1C(=O)N1CCC(Cn2c(C)nc3ccccc3c2=O)CC1 1848657564 QYNHJYSELFKWES-UHFFFAOYSA-N 392.459 2.661 0 40 GFAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2)NC(=O)N3)cc1 4776254 PUUWQNRYAQLDHB-SFHVURJKSA-N 383.835 2.999 0 40 GFAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 7419761 XTXCBZRVOJPZQN-UHFFFAOYSA-N 395.463 2.967 0 40 GFAB COc1ccc(CCNC(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)cc1 7457199 TYDISDZRVAHLPS-UHFFFAOYSA-N 393.443 2.531 0 40 GFAB COc1ccc(NC(=O)NCCn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 11694478 IUBHRBVMYVUHOK-UHFFFAOYSA-N 394.431 2.749 0 40 GFAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)cc1 12415181 LDOUTZJINIZKRW-UHFFFAOYSA-N 378.413 2.848 0 40 GFAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1 13695488 JDWUDICVQXQXHY-HXUWFJFHSA-N 380.444 2.945 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977261 HXJQRCVGJFQIME-INIZCTEOSA-N 386.498 2.943 0 40 GFAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)c(OC)c1 23105862 JJKTZZKVMJKTSE-FQEVSTJZSA-N 384.476 2.816 0 40 GFAB COc1ccccc1OCC(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575611914 IHWRBWPKVGPXRP-JOCHJYFZSA-N 385.460 2.505 0 40 GFAB O=C1C[C@@H](N2CCC(O)CC2)C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 215705612 VUVUFHZJUFULAS-GOSISDBHSA-N 391.427 2.583 0 40 GFAB O=C1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2N1 40161074 RTSRYLATWSSXLN-UHFFFAOYSA-N 381.407 2.663 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 40478588 ONLASHBDYHVAFV-UHFFFAOYSA-N 387.386 2.736 0 40 GFAB O=C(NCc1cccnc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 17169068 TVYWXYGSYNGOST-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(F)cc3F)nc(N)c12 11152026 GBGFKRRPXHRVMT-UHFFFAOYSA-N 391.330 2.925 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@@H](CO)C2)nc1 28939940 OBBXSCUYNJYJBR-MRXNPFEDSA-N 375.494 2.506 0 40 GFAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C(F)(F)F)c3nnnn3c2c1 1367337 CEXOJWSHSFFBMH-AWEZNQCLSA-N 393.369 2.656 0 40 GFAB CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2148091 WRYNFKDCCOOQAP-CZUORRHYSA-N 375.421 2.937 0 40 GFAB biogenic CC(=O)Oc1c(I)cc(Br)cc1C(=O)O 3163863 KDBUMSWZAPBGRG-UHFFFAOYSA-N 384.951 2.677 0 40 GFAB Fc1ccccc1N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 4859019 WJDOVPVJNXHXME-UHFFFAOYSA-N 389.438 2.735 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1Cl 6298054 ZJTIYLOZTFQLFN-UHFFFAOYSA-N 397.836 2.895 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1 7214889 NQVQXIZJYHUBOS-UHFFFAOYSA-N 394.468 2.551 0 40 GFAB COc1ccc2c3c1O[C@@]1(C)[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 100393578 FNIFBBNFYMIPEZ-XCNQNFJVSA-N 395.499 2.895 0 40 GFAB biogenic,in-vitro O=c1c(NCCCNc2ccccc2)c(N2CCN(c3ccccc3)CC2)c1=O 101712205 ROYQDEHKTKTGDS-UHFFFAOYSA-N 390.487 2.523 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H](c3nc(-c4ccccc4)no3)[C@@H]3CC[C@@H]2C3)cn1 100731809 QCWDVEFLPTWDEL-INMHGKMJSA-N 399.476 2.867 0 40 GFAB COc1cc2c(cc1C(=O)NCc1cc3c(cc1C)OCCO3)OCCCO2 46077896 CKANXIXZYRYVPO-UHFFFAOYSA-N 385.416 2.866 0 40 GFAB C[C@@H](C(=O)NC1CCCC1)N1CCCN(C(=O)c2ccccc2Cl)CC1 58165984 INBJHKPXLNLFAO-HNNXBMFYSA-N 377.916 2.935 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C[C@@H](C)O1 32824485 BOKJZJXSRVRLER-IYBDPMFKSA-N 382.460 2.955 0 40 GFAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1 33158986 SCSWDRIKDHIKIA-UHFFFAOYSA-N 381.436 2.903 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(O)cc1 807876 ORNQRLYERZYSMG-GOSISDBHSA-N 377.404 2.920 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccsc3)CC2)cc1OC 22915744 XQENVAZYAQPDSC-HNNXBMFYSA-N 389.521 2.910 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)[C@H]2C1 107798524 HGSIBYOOHYUPLA-HKUYNNGSSA-N 376.909 2.986 0 40 GFAB CC/C(Nc1ccc(NC(C)=O)cc1)=C1/C(=O)NC(=S)N(CC(C)C)C1=O 104945692 YBHFEISECQGIBR-FOCLMDBBSA-N 388.493 2.620 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CCCN(C(=O)c2ccco2)C1 25457494 TUZKANUMWHLFPE-HNNXBMFYSA-N 381.432 2.897 0 40 GFAB Cc1ccc2[nH]c([C@@H]3CCCN(CCN4C(=O)NC5(CCCC5)C4=O)C3)nc2c1 89657599 DKNIOLXQCGMASY-MRXNPFEDSA-N 395.507 2.915 0 40 GFAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc1OC 26099877 AEKREIQLTHFVKG-UHFFFAOYSA-N 391.474 2.743 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 44246539 VSAZBLNUHFNLFV-UHFFFAOYSA-N 380.408 2.753 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 57820910 VATCLTPOWTUEQP-KIUWMYQTSA-N 381.505 2.948 0 40 GFAB Cc1csc(CNC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)n1 57990423 PKHDSIYSUCEJEM-GFCCVEGCSA-N 375.372 2.883 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccccc2OC)c1 27945746 PZSUMINCOWERQN-UHFFFAOYSA-N 383.853 2.956 0 40 GFAB COc1ccc(C(=O)C2CCN(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 12773896 QIJNNFZQXJTHBI-HOTGVXAUSA-N 394.537 2.813 0 40 GFAB Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4c(C)noc4C)CC3)n2)cc1 12762012 LQOBKFNHOWTJIN-UHFFFAOYSA-N 395.463 2.537 0 40 GFAB O=C(COCc1ccccc1Cl)Nc1cccc(CN2C(=O)CNC2=O)c1 48368030 IQJNUMGCYZPOTF-UHFFFAOYSA-N 387.823 2.547 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3423390 RCBXRBYKBHUNEU-KRWDZBQOSA-N 396.230 2.670 0 40 GFAB COc1cc(NC(=O)c2ccc[nH]c2=O)c(OC)cc1NC(=O)c1ccccc1 13005766 FKVJVNPLMSYICE-UHFFFAOYSA-N 393.399 2.897 0 40 GFAB COc1c(Br)cc(F)cc1NS(=O)(=O)c1c(C)n[nH]c1C 13002076 YJZUFGVLHVCXHA-UHFFFAOYSA-N 378.223 2.738 0 40 GFAB C[C@H](NC(=O)CN(C)CCOc1ccccc1F)c1ccc2c(c1)OCCO2 49581213 ZIXCEMHGKWGNLI-HNNXBMFYSA-N 388.439 2.785 0 40 GFAB N=c1c2c(-c3ccco3)c(-c3ccco3)oc2ncn1CCN1CCOCC1 13682247 SSOVDQKQPUHEAT-UHFFFAOYSA-N 380.404 2.961 0 40 GFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2cccs2)o1 6085653 IXJMAOYVICXOAR-GOSISDBHSA-N 382.401 2.528 0 40 GFAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)n1 306138725 SFUASXMBNIUGOK-IAGOWNOFSA-N 388.475 2.538 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](Cc1ccc(OC)cc1OC)c1nn[nH]n1 5444745 XDDIOHKOJHKREK-OAHLLOKOSA-N 397.435 2.581 0 40 GFAB Cc1nc2ccccc2c(=O)n1NC(=O)COc1cccc2c1OC(C)(C)C2 6508044 FPERSDDGBSWDQX-UHFFFAOYSA-N 379.416 2.568 0 40 GFAB Cc1ccnc(NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)c1 4608544 HPRMBWOUJFVNKC-KRWDZBQOSA-N 383.448 2.716 0 40 GFAB COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 4699921 KCQCKRSPFBVRET-KRWDZBQOSA-N 385.395 2.638 0 40 GFAB C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(S(N)(=O)=O)cc1 6602408 BAMXCVFMEZTMEJ-CYBMUJFWSA-N 398.484 2.989 0 40 GFAB CCOC(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1N1CCOCC1 4711538 WPPUFYYTLIFCMI-UHFFFAOYSA-N 384.432 2.961 0 40 GFAB Cc1ccc([C@@]23CCC(=O)N2[C@@H](C(=O)NCCc2ccccn2)CS3)cc1 5689661 KEQUHFIBUKIHCG-NQIIRXRSSA-N 381.501 2.640 0 40 GFAB CN1CCN(C(=O)c2cncc(Br)c2)c2nc3ccccc3nc21 14900962 TUMPSRHGXAFWRP-UHFFFAOYSA-N 384.237 2.884 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(F)cc1 67204774 WJNGTQYJOGGSTB-IBGZPJMESA-N 383.423 2.739 0 40 GFAB COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)NC1CC1 7135232 CMAZSYJKEJGXCZ-UHFFFAOYSA-N 394.880 2.719 0 40 GFAB Cn1c(SCC(=O)Nc2cccc3nsnc23)nc2ccccc2c1=O 19079109 OSQMSSFXIFRKCU-UHFFFAOYSA-N 383.458 2.669 0 40 GFAB CCc1nnc(NC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)s1 7921402 BFJYQHGKUSUAKH-SNVBAGLBSA-N 383.520 2.632 0 40 GFAB CC/C(Nc1cccc(C(=O)O)c1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 8970067 WKZUVVBGIOWLGP-FOCLMDBBSA-N 379.372 2.744 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(F)cc1F 8980429 VHUXPXPNHDKCKF-MPBGBICISA-N 387.386 2.609 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2C)cc1 408553159 OIJFLOFVEAWOOF-UHFFFAOYSA-N 389.839 2.741 0 40 GFAB CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1 70036466 DUVQONNPZSKCJO-UHFFFAOYSA-N 397.475 2.965 0 40 GFAB CNC(=O)NC(=O)[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 9646748 JPPFUOVCTPWMMB-CYBMUJFWSA-N 382.203 2.742 0 40 GFAB CCCOc1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 9431433 KADPBZPDGUAORT-INIZCTEOSA-N 377.462 2.898 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)Oc2ccccc21 96367566 MAKQCYBGMQGAAY-SFHVURJKSA-N 379.384 2.763 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 9744850 BCBRDRIMGWGMGX-HNNXBMFYSA-N 395.459 2.646 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccco2)CC1 9502518 CIUIXYFZMUAHBL-QGZVFWFLSA-N 385.464 2.678 0 40 GFAB O=C(N[C@@H]1CCCc2occc21)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 84558663 RYOKLFKTRVFXOL-MAUKXSAKSA-N 388.489 2.874 0 40 GFAB CCc1cc(=O)c2cc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)ccc2[nH]1 95465054 QWOZOWRGHJOMKF-QFIPXVFZSA-N 391.471 2.930 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 27913126 SGJFWOYBOFUTMN-UHFFFAOYSA-N 390.846 2.942 0 40 GFAB COc1cccc2c1OCC(C(=O)N1CCC[C@@H](c3n[nH]c(C4CC4)n3)C1)=C2 95980233 BOHPXTMKFYVWEI-OAHLLOKOSA-N 380.448 2.873 0 40 GFAB CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccncc1 61721820 ZXGHNHDMCZDICA-IBGZPJMESA-N 381.480 2.577 0 40 GFAB Cc1cc(NC(=O)c2nc3ncccn3n2)nn1Cc1ccc(F)cc1Cl 36618735 ZWDNTVIXIFKQLN-UHFFFAOYSA-N 385.790 2.722 0 40 GFAB Cc1cccc(CSCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 408923180 ANRLGBWSQXVGAL-UHFFFAOYSA-N 392.546 2.811 0 40 GFAB Cc1c(F)cccc1C(=O)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 519594312 VLGKLKMSZWGVLJ-LJQANCHMSA-N 380.423 2.988 0 40 GFAB C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 34363708 VXGGBPQPMISJCA-OLZOCXBDSA-N 382.416 2.503 0 40 GFAB CN1C(=O)C[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@H]1c1cccc(F)c1 72243779 NLJIPEASEHDXIS-UKRRQHHQSA-N 384.333 2.743 0 40 GFAB CCCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c2ccccc12 36627463 RAMGMTMRRFJCGT-UHFFFAOYSA-N 390.505 2.872 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NC[C@H](C)Cn3nccc3C)c12 36619296 ASQSXZUMWPXJDF-LBPRGKRZSA-N 393.451 2.503 0 40 GFAB Cc1c(C(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc2n1C 61992794 HJQQSNSCGVGIRI-SJORKVTESA-N 375.472 2.950 0 40 GFAB biogenic COc1ccc(CNC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 62017469 ARZACZHPNGZVFH-UHFFFAOYSA-N 382.376 2.838 0 40 GFAB CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 46656077 BVHDZPVAQDXXQH-UHFFFAOYSA-N 376.478 2.654 0 40 GFAB CC(C)Oc1cccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222416876 QSPZSUIRCVXGRR-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(C(C)=O)cc1OC 223252523 JSUQTGCVBKZBJV-UHFFFAOYSA-N 392.433 2.666 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCCO)c1ccccc1 223545123 UBCBUEGYVVXBPL-OAQYLSRUSA-N 384.476 2.674 0 40 GFAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCN(c4ccccc4)CC3)c2c1 225756889 CRBYNUKXSMZSQH-UHFFFAOYSA-N 375.472 2.967 0 40 GFAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cc1 225922407 JXMBYVYMFIOGAR-UHFFFAOYSA-N 380.441 2.671 0 40 GFAB COc1nn(C)cc1C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200370 OYLVYKDBQDXMFS-LSDHHAIUSA-N 390.415 2.858 0 40 GFAB CC(=O)c1cccc(NC(=O)CSc2cc(N3CCSCC3)ncn2)c1 90610131 GTCOWOUFPJFHGN-UHFFFAOYSA-N 388.518 2.963 0 40 GFAB Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237900 LJKCQRFGZMJNLC-HSZRJFAPSA-N 395.478 2.626 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1 96259266 YZWVTIRAAAAXHH-UHFFFAOYSA-N 376.526 2.626 0 40 GFAB CN(C)C[C@H]1CSCCCN1S(=O)(=O)c1ccc(Br)s1 90608986 AOSBCRAPJXCCOV-JTQLQIEISA-N 399.401 2.568 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 240709140 AMDCDJQUJZIABH-UHFFFAOYSA-N 376.331 2.762 0 40 GFAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 244178163 VHNVVEJLJCDTJX-UHFFFAOYSA-N 396.443 2.973 0 40 GFAB CCN(CC(=O)N1CCN(c2ccccc2F)CC1)[C@H]1CCOC(C)(C)C1 585084866 IOCISUZMLZJOMJ-KRWDZBQOSA-N 377.504 2.754 0 40 GFAB Cc1nonc1CC(=O)N1CCC(c2cccc(-c3c(C)noc3C)n2)CC1 257327829 XCXKGOIQNLBPIO-UHFFFAOYSA-N 381.436 2.994 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@](O)(CN3CCc4ccccc4C3)CC2)c(O)n1 257340295 ZFKDEHROQDYEOR-QHCPKHFHSA-N 395.503 2.511 0 40 GFAB CCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccc(F)cc2)C(=O)C3)C1 257292526 QLXYHIYZUPZLBH-MRXNPFEDSA-N 396.466 2.782 0 40 GFAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)cn1 257259657 KZJPPHPUWUYKIB-KRWDZBQOSA-N 397.523 2.871 0 40 GFAB Ic1cc2ncnc(N[C@@H]3CCCOCC3)c2s1 593470119 PYHZJOJQVSTHPC-MRVPVSSYSA-N 375.235 3.277 0 40 GFAB CN1C(=O)C[C@@H](CN[C@H]2CCOC2(C)C)[C@@H]1c1cnn(Cc2ccccc2)c1 645457923 DLYBIHQUVHUMAZ-HFSMHLIXSA-N 382.508 2.608 0 40 GFAB Cn1c(=O)n(CC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c2ccccc21 650960893 ZASGBSWYHQVYMT-ACRUOGEOSA-N 391.471 2.861 0 40 GFAB C[C@@H](NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)c1nnc2n1CCCC2 660919636 ZWHCZXKSEQHSFN-ZBFHGGJFSA-N 391.479 2.848 0 40 GFAB CCn1nc(C(F)(F)F)c(C(=O)Nc2cnc(N(C)C)nc2)c1C(F)F 676994140 ORHHARPQHNXYII-UHFFFAOYSA-N 378.305 2.968 0 40 GFAB CC(=O)N1CC(OCC(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)C1 585088721 RWFKVVPJLQHYCR-UHFFFAOYSA-N 396.472 2.787 0 40 GFAB O=C1C[C@@H](C(=O)N(CCn2ccnc2)C2CCSCC2)c2ccccc2N1 1539865443 VWUNJJNTQWSUGI-QGZVFWFLSA-N 384.505 2.733 0 40 GFAB O=C(Cc1ccc2c(c1)CCO2)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 58197534 MRBJDCVLHLJEJQ-FQEVSTJZSA-N 378.472 2.514 0 40 GFAB C[C@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCCc1nc(-c2ccccc2)no1 12198314 BUKIHZPVIQJFQY-ORAYPTAESA-N 394.406 2.974 0 40 GFAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(Cc1cccnc1)C1CC1 12223142 QERNHUVUTZTDKZ-UHFFFAOYSA-N 385.489 2.870 0 40 GFAB O=C(N[C@@H]1CCCOC1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226235 XUXJVGZUHJLCAQ-MSOLQXFVSA-N 390.455 2.801 0 40 GFAB CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCn2cncn2)C1 12835893 WFWIINBADZNKBN-KRWDZBQOSA-N 382.443 2.823 0 40 GFAB CCOC(=O)CN(C(=O)COC(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1 12988755 SSGXTWBGAJVNHO-UHFFFAOYSA-N 399.418 2.997 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)CCn3cccn3)c2-c2cccs2)on1 13226741 IAISRGSOPDBUFF-UHFFFAOYSA-N 396.476 2.978 0 40 GFAB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC1CCCCC1 16322311 DIROPCZVIGYZCN-HNNXBMFYSA-N 380.510 2.687 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 19020216 FUXCOOWKISYBLM-XXBNENTESA-N 394.519 2.806 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2cccs2)cc(N)c1=O 19080631 MRZZRCDQCVXCPW-NSHDSACASA-N 398.444 2.525 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)cn1 19238873 DRFUOXASQRFSSH-ZDUSSCGKSA-N 381.461 2.617 0 40 GFAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(Cc2cnc(C(C)C)nc2)C1 19454020 JPECOEIDWKJVOE-QFIPXVFZSA-N 380.492 2.929 0 40 GFAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1)c1ccc2c(c1)CCCO2 19458843 NYQKBGRPMYVAJC-BEFAXECRSA-N 379.460 2.633 0 40 GFAB CCOc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1 19533380 FSSBVWAYPXUUGT-HOTGVXAUSA-N 398.507 2.753 0 40 GFAB O=S(=O)(c1cccnc1)N1CC[C@H](COc2cccc(C(F)(F)F)n2)C1 1889186893 GKEXBSIRYODQRM-LBPRGKRZSA-N 387.383 2.585 0 40 GFAB O=C(NCCc1ccc(Br)s1)C1CCN(C(=O)C2CC2)CC1 24925182 MPNDUJFVVFIGHG-UHFFFAOYSA-N 385.327 2.818 0 40 GFAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCN(C(C)=O)C2 4281078 FUKWMTIIPRFXOK-UHFFFAOYSA-N 376.409 2.831 0 40 GFAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)cn2)cc1 13806729 TVMZNSRLUAQWPP-UHFFFAOYSA-N 377.400 2.629 0 40 GFAB Cn1ccc(CN2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)cc1=O 1775976241 WPQNKKLHBFTYHL-UHFFFAOYSA-N 395.894 2.818 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCOCC1 23181844 WAMFODUFQJYLLB-DYVFJYSZSA-N 384.498 2.628 0 40 GFAB Cc1cccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2C[C@@H]2CCCO2)c1 101113779 QCIOZYAHPRZYQW-UAFKWENTSA-N 378.432 2.950 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 38490342 CBIAHCFWJFIDEA-NHCUHLMSSA-N 378.472 2.712 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(-n4cccn4)c(F)c3)cnc12 40150944 USYZAVMCKVGGDE-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB O=C(CN1CCN(Cc2ccc(-c3ccccc3)s2)CC1)NC[C@H]1CCCO1 28970286 NYVQFGVLWNCYGQ-LJQANCHMSA-N 399.560 2.828 0 40 GFAB CCc1nc(CCNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)sc1C 100680505 UJTLRSGKEUEFTL-UHFFFAOYSA-N 388.518 2.522 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)N1CCc2ccccc2C1 1357519 VTFONQVXOHFAID-UHFFFAOYSA-N 395.488 2.738 0 40 GFAB O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1)c1ccco1 3542788 KBZAEBOTMMFIHU-UHFFFAOYSA-N 395.396 2.958 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 3556127 IIRKHMPMAWJHGG-UHFFFAOYSA-N 380.400 2.797 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2ccc(F)c(Cl)c2)c1OC 51354056 PBBIQTWZFVMPAX-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB O=C(CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1 4908305 ZBEBKRXCLBJXTN-AYHJJNSGSA-N 382.464 2.713 0 40 GFAB Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156086 BXDLZVYZVIWDOI-GASCZTMLSA-N 396.451 2.764 0 40 GFAB COC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 46086956 GMYDMSXXXWXWSI-KRWDZBQOSA-N 376.497 2.808 0 40 GFAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 8476223 IBIZUOZCDCJRIA-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 8719108 VOXHAKYQPIUBIE-QFIPXVFZSA-N 383.492 2.809 0 40 GFAB Cc1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1S(N)(=O)=O 32551579 RTUVFGZTGZSRMB-UHFFFAOYSA-N 389.260 2.967 0 40 GFAB CCc1nnc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)s1 21287961 WTDLAZRVJFUNTM-CQSZACIVSA-N 396.538 2.741 0 40 GFAB Cc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c2c(O)nn(C)c2n1 32701144 DVTFYLIQZZPYOA-UHFFFAOYSA-N 399.882 2.594 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)C[C@H](C)O1 2659828 QWQXMYSNXXOFKG-KBPBESRZSA-N 392.452 2.876 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 32987955 QTEREIBBBRMOIP-HXUWFJFHSA-N 395.484 2.851 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)n1cnc2ccccc21 32914441 ZGAPKVOKTGJGQQ-NSHDSACASA-N 376.413 2.747 0 40 GFAB O=C1CN(c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CCN1 32912851 ILLANUMVODUJFK-UHFFFAOYSA-N 392.228 2.777 0 40 GFAB COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1 57449745 BHHSVPOIGRDLQZ-UHFFFAOYSA-N 381.476 2.967 0 40 GFAB CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 55665652 RNWWXHSKMHWBMF-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C/C=C/c2ccccc2)CC1 22935160 WKDBIWMETNCZKV-WHWKNOJMSA-N 398.532 2.505 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107973 MMRUAVGGLLPJJZ-ABAIWWIYSA-N 384.835 2.969 0 40 GFAB COc1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1OC 23235609 PYJITAJPFUBLRM-HNNXBMFYSA-N 376.478 2.991 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(F)cc2)cc1 113937394 XNGOTLMVJAWDHR-UHFFFAOYSA-N 394.468 2.944 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)cc1F 25052690 WYCPBMTWTABYKF-NSHDSACASA-N 391.472 2.598 0 40 GFAB O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1ccc(F)cc1 67897181 JWPHLGPHPITXMG-RTWAWAEBSA-N 379.435 2.919 0 40 GFAB biogenic,in-vitro CCOc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1 20459198 CXPHFOSTYNHCED-UHFFFAOYSA-N 376.478 2.801 0 40 GFAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 3282020 HYYOFTUKEKKBAU-MDZDMXLPSA-N 384.457 2.839 0 40 GFAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)O)CC3)c12 2113796 UOJYPYWTHKIZNC-UHFFFAOYSA-N 387.432 2.756 0 40 GFAB biogenic CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccco2)cc1 2225011 KIZHNYCOEGVSPP-MRXNPFEDSA-N 387.461 2.635 0 40 GFAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12791834 VLEDPZBAOOWFLV-AATRIKPKSA-N 396.921 2.948 0 40 GFAB COC(=O)c1cnc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)s1 12753618 AZEIAXMZHOUNSC-UHFFFAOYSA-N 382.825 2.926 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)N2CCOCC2)cc1OC 12753624 RIMKBNUKFQDLDJ-LJQANCHMSA-N 384.476 2.816 0 40 GFAB C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCCO2 12891710 IYHLOPYXIAKTTK-ZDUSSCGKSA-N 380.400 2.602 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 62689632 HFDPWGQBDFKAME-QGZVFWFLSA-N 394.880 2.519 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1cnc2ccc(F)cc2c1=O 12980452 KZFDAXFEGRTVAV-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 12918685 DKJNAVLIPNPXDK-AWEZNQCLSA-N 391.427 2.689 0 40 GFAB CC(C)c1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 12984397 YKFJJYIARRUAEU-ZDUSSCGKSA-N 381.885 2.566 0 40 GFAB O=C(O)/C=C/c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 12940784 YCJZPXSKEUSTGA-MZEUMTGBSA-N 378.428 2.814 0 40 GFAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 7676111 BNJPPUXVRJUGKG-IBGZPJMESA-N 391.427 2.834 0 40 GFAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 13002406 JLXUFMYIKPMLMF-UHFFFAOYSA-N 393.515 2.757 0 40 GFAB CN(CCOc1ccc(F)cc1)C(=O)/C=C/c1nnc2c3ccccc3cnn12 16173738 XVFMNFKKHDOJTJ-ZHACJKMWSA-N 391.406 2.967 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H]3CCOc4ccccc43)C(=O)[C@H]2C)cc1 7922427 LVZPDPMUMYFCNP-CRAIPNDOSA-N 393.443 2.792 0 40 GFAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccncc1 4292262 XYPIAFRBYHTMAK-CQSZACIVSA-N 386.477 2.917 0 40 GFAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(-n2ccnc2)cc1 8013571 NBCWFKZRJWZHEL-ZDUSSCGKSA-N 390.365 2.930 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)OCc1nc2ccsc2c(=O)[nH]1 5267356 PLZDVXHUNQUPOS-UHFFFAOYSA-N 382.401 2.536 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8133703 HKQFVCZXABATEO-CSKARUKUSA-N 391.427 2.756 0 40 GFAB O=C(CSc1nnnn1Cc1ccco1)Nc1ccc(Br)cc1 14076720 JJWWZNGWZBZTFB-UHFFFAOYSA-N 394.254 2.808 0 40 GFAB CC[C@H](CO)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 14196856 VYMQQLHYTHZXQB-CYBMUJFWSA-N 376.526 2.585 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NC[C@@H]1CCCO1 409217859 XQWRSSHSJRXWSU-IAOKNECISA-N 380.853 2.672 0 40 GFAB Cc1cccc(OCCNC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c1 14200772 KLRLPUQGLKTWGB-UHFFFAOYSA-N 387.505 2.701 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)OCc3ccccc3)CCN2)C1 91302722 ONPXNIKYGMESAQ-HXUWFJFHSA-N 375.469 2.608 0 40 GFAB in-vitro COc1ccc2nc(N[C@]3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1 4690195 XIQUIOJDKKCLSH-ZDUSSCGKSA-N 388.396 2.920 0 40 GFAB Cc1cccc2c(=O)[nH]c(CSc3nnc(NC[C@@H]4CCCO4)s3)nc12 8216428 WNOPGEPADVQQRJ-NSHDSACASA-N 389.506 2.966 0 40 GFAB CC(C)(C)c1ccc(OC[C@@H](O)CNS(=O)(=O)Cc2ccccc2)cc1 4700381 SHJYERCVBCWPBT-SFHVURJKSA-N 377.506 2.843 0 40 GFAB COC(=O)C1=C(c2ccc(OC)c(OC)c2)[C@@H](c2ccccc2)N2NN=NC2=N1 4754082 JOHMFIAVWJJTCT-GOSISDBHSA-N 393.403 2.886 0 40 GFAB Cc1nnc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)o1 69948019 CSDOXYDMYPFHTJ-UHFFFAOYSA-N 384.841 2.861 0 40 GFAB CCOC(=O)Cc1nnc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)s1 89984713 CSAYZHQLPGAVJY-UHFFFAOYSA-N 381.364 2.710 0 40 GFAB Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n1 9117959 XOSHTXNPTXKJLP-UHFFFAOYSA-N 394.500 2.769 0 40 GFAB COC(=O)c1ncsc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 96008985 WUOALUBQNPPLGO-UHFFFAOYSA-N 388.470 2.998 0 40 GFAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1 409057405 PLQWVFWKJUXVCQ-LADMSCKDSA-O 388.422 2.842 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1=O 9498048 DMBQJKRWAFHLTJ-ZDUSSCGKSA-N 386.477 2.680 0 40 GFAB O=C(Cn1nnc2ccccc21)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9417739 WXYDWJKHLSLFEM-UHFFFAOYSA-N 379.401 2.922 0 40 GFAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H](O)C(F)(F)F 72313777 ZSILIDWDJZOOMF-LBPRGKRZSA-N 394.802 2.957 0 40 GFAB C[C@H]1CN(C(=O)Nc2nnc(-c3nccn3C)s2)C[C@H](c2ccccc2)O1 95446357 MIFYWAXBGOGVMY-GXTWGEPZSA-N 384.465 2.933 0 40 GFAB O=C(NCc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 509168063 FYXWPMUGUCRRRW-MRXNPFEDSA-N 376.453 2.543 0 40 GFAB CCc1c(C)nc2n(c1=O)CN(C[C@@H]1CCCO1)CN2c1ccccc1OC 38830102 HBBAXIJVFNBLDZ-INIZCTEOSA-N 384.480 2.670 0 40 GFAB CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1cccnc1 32579419 GNHXYETYSKLULA-UHFFFAOYSA-N 383.477 2.777 0 40 GFAB COc1ccc(CCC(=O)N2CCN(C(C)=O)C[C@@H](Cc3ccccn3)C2)cc1 72353547 BIYPWMWCTXPYES-HXUWFJFHSA-N 395.503 2.572 0 40 GFAB O=C(/C=C/c1ccccc1)Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 71001613 WPSUVQCAKZJKFP-MDWZMJQESA-N 388.431 2.550 0 40 GFAB COc1cccc2nc(NC(=O)[C@H](C)NC(=O)c3n[nH]c4ccccc34)sc12 1570822151 UFYWOWNWHCTMHA-JTQLQIEISA-N 395.444 2.938 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222517967 VCTANJISMVNQKG-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB C[C@H]1CC(=O)c2c(OCCOc3ccc(S(N)(=O)=O)cc3)ccc(F)c21 40068627 LAVWNHMPZIFMRO-NSHDSACASA-N 379.409 2.621 0 40 GFAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 85332864 JFVOCWZGXLCLCR-YOEHRIQHSA-N 376.453 2.684 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222748061 WXNIHFNYBHOVON-UHFFFAOYSA-N 394.468 2.898 0 40 GFAB COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225098104 AFWQWKJBIXQLOE-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB O=S(=O)(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1ccccc1 96112921 ZNXNYSJHUKEZQX-INIZCTEOSA-N 387.436 2.567 0 40 GFAB biogenic,in-vitro O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)c3ccccc3F)C2)C1 96093328 CJEFDCBMRUVMQL-FQEVSTJZSA-N 382.395 2.611 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229828 GSMHWGACMCKVET-ISJRUSPKSA-N 392.455 2.767 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230574 UREIKWXMKSDHRU-UIVXKWKOSA-N 384.457 2.520 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cc[nH]n3)CC2)ncn1 257233444 GPHHFDZPKJSRPF-HNNXBMFYSA-N 380.452 2.957 0 40 GFAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CN1CCOCC1 618237608 FWRVEYXEQDVYHP-GOSISDBHSA-N 386.414 2.841 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@H](C)C2)n1 260735507 JLTTVXBBMGRGHK-HNNXBMFYSA-N 392.573 2.636 0 40 GFAB Cc1nc2n(c1C)CCN(C(=O)[C@H]1Cc3ccccc3CN1C(=O)CC(C)C)C2 606387086 WKBDZRBOEFXZAD-HXUWFJFHSA-N 394.519 2.842 0 40 GFAB COc1cccc(-n2cc(NC(=O)[C@@H](C)n3ccc(C(F)(F)F)n3)nn2)c1 637313457 GLKLGPXAVMEUKK-SNVBAGLBSA-N 380.330 2.691 0 40 GFAB CN(C)c1ccc([C@@H]2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)nn1 643729399 XSWTZDJXVJLCTC-FOBFXCNWSA-N 383.540 2.620 0 40 GFAB COCc1csc(CNc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1 657448814 ZZLLYJACYTXCJP-UHFFFAOYSA-N 396.534 2.652 0 40 GFAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 604854199 OBOUZHOBDAYYJG-MRXNPFEDSA-N 392.521 2.659 0 40 GFAB C[C@@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc(C(N)=O)cc1 5291574 SXDSKSNGUZGBHR-SNVBAGLBSA-N 378.331 2.571 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)NC[C@H](c1ccco1)N1CCCCC1 12946886 RYLOKTUDYHBWBK-GOSISDBHSA-N 399.491 2.752 0 40 GFAB CC(=O)Nc1cccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)c1 12362654 RUSDMTYHDBFGMP-UHFFFAOYSA-N 388.489 2.672 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(N4CCCC4=O)cc3)ccc21 14349489 DCVFCCOWZNRQJV-UHFFFAOYSA-N 393.443 2.740 0 40 GFAB COC(=O)c1c(NC(=O)CSc2nnnn2C(C)C)sc2c1CCCC2 16452887 BVWBNPCSEFNGGV-UHFFFAOYSA-N 395.510 2.712 0 40 GFAB Cc1cccc(OCCCN2CCN(C(=O)c3ccc(C)n(C)c3=O)CC2)c1C 19235725 COIZQHLPMGXENT-UHFFFAOYSA-N 397.519 2.537 0 40 GFAB O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 12365093 MYWLIPNMQZOVFH-LLVKDONJSA-N 389.818 2.930 0 40 GFAB COc1ccc(CN2CCC3(CC2)CNC(=O)c2ccccc2O3)c(OC)c1 19552242 FUVSNJYAPNHJGF-UHFFFAOYSA-N 382.460 2.861 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 3477524 NGMYYXFFMKSGIY-SNVBAGLBSA-N 381.226 2.658 0 40 GFAB CN(CCCC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(F)cc1 28651570 SRBQVDXNHIHJCE-UHFFFAOYSA-N 390.480 2.811 0 40 GFAB CCN=c1[nH]c([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)c2sccn12 2037838480 ITCIRYMMELZQIH-OAHLLOKOSA-N 390.534 2.916 0 40 GFAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccnc(NC(C)=O)c2)C1 2037909277 LGKYEUYVZQUARD-NRFANRHFSA-N 383.448 2.740 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCN(CC(C)C)CC[C@H]3C2)c1 2056223574 SYPAPHIEYWMZOJ-CALCHBBNSA-N 396.553 2.692 0 40 GFAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)c1cc[nH]c1)CC2 1146884582 VDEYISUIKFRIER-UHFFFAOYSA-N 380.473 2.642 0 40 GFAB COc1cccc(N2C[C@@H](NS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)c1 5221987 MJHZLAJTPUSJQF-INIZCTEOSA-N 388.489 2.704 0 40 GFAB CCOc1ccccc1C(=O)NCCNC(=O)c1nc(-c2cccc(C)c2)no1 15082027 PASSNJIHFCLQJS-UHFFFAOYSA-N 394.431 2.604 0 40 GFAB O=C(NCC1(c2cccs2)CCOCC1)C(=O)Nc1cc(F)ccc1F 21690681 ZQQJTBQLUOUQCT-UHFFFAOYSA-N 380.416 2.829 0 40 GFAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220762653 YJMGQUNKLIOZGK-INIZCTEOSA-N 396.491 2.879 0 40 GFAB Cc1ccc(CCC(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)cc1F 225636074 YUZCWZRKYBXPCM-GOSISDBHSA-N 384.407 2.903 0 40 GFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@@H](n2cnc3ccccc32)C1 585149335 LPDMHGFOJPHKFE-GFCCVEGCSA-N 385.474 2.677 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(OC)c2ccccc2F)cc1 96123615 MIEQXMOQBLJTCW-GOSISDBHSA-N 396.440 2.844 0 40 GFAB O=C(CNC(=O)c1cccc(Cl)c1)NCc1ccc(Cn2ccnc2)cc1 40046989 VUUHWTLIHRKVFT-UHFFFAOYSA-N 382.851 2.631 0 40 GFAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc(-n4cncn4)nc3)s2)o1 40107048 URQMNIROIPOQGU-UHFFFAOYSA-N 380.433 2.926 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116598 UXKGQHAIFNUBIY-GTNSWQLSSA-N 385.386 2.633 0 40 GFAB O=C(NCc1cscn1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 50408482 GGAXDKJXHGPGTR-UHFFFAOYSA-N 399.925 2.514 0 40 GFAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)C(F)(F)F)c3nnnn3c2c1 1367336 CEXOJWSHSFFBMH-CQSZACIVSA-N 393.369 2.656 0 40 GFAB O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2c(c1)OCCO2 3249372 FLYSTJPGXIHABX-UHFFFAOYSA-N 377.809 2.855 0 40 GFAB CSc1ncc(C(=O)Nc2ccc(-n3cnnn3)cc2)n1-c1ccc(F)cc1 36835229 GBNMXDCCWRYYGI-UHFFFAOYSA-N 395.423 2.961 0 40 GFAB Cc1ncsc1C(=O)NC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 51464296 YQVOGTJJZQANSJ-UHFFFAOYSA-N 379.869 2.845 0 40 GFAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 4861058 SCNUUMSCIJTCMI-QWHCGFSZSA-N 388.917 2.664 0 40 GFAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 7814819 IHXFSNAIJRNIQN-INIZCTEOSA-N 392.502 2.835 0 40 GFAB COc1ccc(C(C)=O)cc1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489450 OUBXNAQQRPETFW-UHFFFAOYSA-N 396.487 2.987 0 40 GFAB CN(CCN1CCOCC1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 83860903 XQQPBDSEYGRGMU-UHFFFAOYSA-N 396.491 2.759 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc(I)c1 100237356 MHPWIUHQCRHJIL-ZAQNNHEOSA-N 391.208 2.849 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC1(c2ccccc2)CCCC1 12101365 LXRCOUDCFHCLMS-UHFFFAOYSA-N 380.444 2.773 0 40 GFAB C[C@H](OC(=O)c1sccc1-n1cccc1)C(=O)Nc1ccc(C(N)=O)cc1 22888145 GPHBUOZXCKAJPO-LBPRGKRZSA-N 383.429 2.822 0 40 GFAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCC1 1003835 HBSFCMIOPCJRSI-UHFFFAOYSA-N 395.550 2.864 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 113947182 OQNMQDLVZAHZJL-POAQFYNOSA-N 390.549 2.842 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)CC1=O 42630520 SLAQQJBMLJBYTK-SFHVURJKSA-N 393.487 2.656 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc2c(c1)OCC(=O)N2 25275288 OBFKBJNFOUATPO-UHFFFAOYSA-N 382.376 2.713 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1F 57486065 QUZQAMTZVYWCFB-UHFFFAOYSA-N 389.452 2.967 0 40 GFAB COC(=O)c1ccc(CNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3269135 SGJNSCHMPLUBLD-UHFFFAOYSA-N 375.808 2.529 0 40 GFAB O=C(Cc1ccc2c(c1)CCO2)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 58197536 MRBJDCVLHLJEJQ-HXUWFJFHSA-N 378.472 2.514 0 40 GFAB O=C1CN(C(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c2ccccc2N1 58173621 DKKRFQJDSKVCAW-OAHLLOKOSA-N 385.489 2.714 0 40 GFAB CCOc1ccc2oc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c(C)c2c1 7778099 HMPWGKHLAZWWCM-SFHVURJKSA-N 386.448 2.603 0 40 GFAB O=C(CCSc1ccccc1)NC(=O)CSc1nnnn1-c1ccccc1 3319740 CUXFYRTYLLAFPV-UHFFFAOYSA-N 399.501 2.580 0 40 GFAB O=C(CSc1nnc2c3c4c(sc3ncn12)CCC4)Nc1ccccn1 2329656 OGKDBAIGXKCLBS-UHFFFAOYSA-N 382.474 2.954 0 40 GFAB CC(C)OC(=O)c1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)o1 3338306 WDTNBWUNRGJAAS-HXUWFJFHSA-N 384.388 2.575 0 40 GFAB CC[C@@H](C(=O)OCc1ccc(C(N)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1 16132339 IWSKCXPTWDEJMS-INIZCTEOSA-N 399.838 2.787 0 40 GFAB CC1CCN(Cc2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)CC1 12803148 WPGVWZJFGSRISU-UHFFFAOYSA-N 398.488 2.853 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)CC2=O)c1C 3448863 NVDBUGPXHWNUPK-IRXDYDNUSA-N 380.444 2.613 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 24676347 HFYYJLZUPRTFTB-VSGCLNPGSA-N 390.427 2.649 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 4022995 UNKCVWXYAWWYRG-UHFFFAOYSA-N 389.477 2.832 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)Cn1nc(-c2ccccc2)oc1=O 8231308 CAYWOBQDOUCCNV-UHFFFAOYSA-N 392.459 2.762 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccnc2)N1CCc1ccccc1 13730701 WAGZUZMHXZKCLC-IRLDBZIGSA-N 394.496 2.973 0 40 GFAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NC[C@H]1CCCO1 6225843 KDXGFAVZYFGOLJ-GFCCVEGCSA-N 397.298 2.622 0 40 GFAB Cc1ccc(SCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C)c1 14092742 WWOXGGGOILQRAC-UHFFFAOYSA-N 392.546 2.962 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C)(C)N1CCOCC1 14118857 ZZXZIHURBZAEOY-UHFFFAOYSA-N 376.888 2.675 0 40 GFAB COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 14245454 OXYHBLFMXRABCW-CYBMUJFWSA-N 395.411 2.810 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCC(=O)NCc2cccs2)CC1 4682663 AWMAZZIFFQMAGO-UHFFFAOYSA-N 387.505 2.502 0 40 GFAB O=C(COC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccn1 4676703 CDDAQBUFUGMVPE-FQEVSTJZSA-N 389.411 2.735 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1N1CCOCC1 14707663 HUEFPPXIAYPGNL-UHFFFAOYSA-N 398.850 2.594 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c1 6862051 YGFRXMDAVWKJDO-CQSZACIVSA-N 379.416 2.993 0 40 GFAB COc1cc2ncn(CC(=O)N(Cc3ccccc3)C(C)C)c(=O)c2cc1OC 9683075 CLOFOFWOHZHETJ-UHFFFAOYSA-N 395.459 2.851 0 40 GFAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 92558842 QWHIXXWYIZYUPE-NXHRZFHOSA-N 379.545 2.870 0 40 GFAB COc1ccc2occ([C@@H]3N=C(Nc4ccc(F)cc4)NC(=N)N3)c(=O)c2c1 19330031 GDMFXCWMPNLMSD-KRWDZBQOSA-N 381.367 2.535 0 40 GFAB COc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1 71283900 PBJIBJFBIOXFKP-UKRRQHHQSA-N 375.450 2.683 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 9111074 DBSWGCCAFARGQN-UHFFFAOYSA-N 390.490 2.974 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)n(C)c1 9113948 HZGNAALYKUAVCV-UHFFFAOYSA-N 379.482 2.625 0 40 GFAB COc1ccc(N2C(=O)N[C@@](NC(=O)C3CCCCC3)(C(F)(F)F)C2=O)cc1 9419242 ZTDDQDWAXTYHEM-QGZVFWFLSA-N 399.369 2.707 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccc(F)cc1 9863545 ZCRFSKRFBVXVKY-UHFFFAOYSA-N 393.484 2.653 0 40 GFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc2c(c1)OCO2 9513739 CRJRBVLDCPDSHL-LLVKDONJSA-N 379.463 2.833 0 40 GFAB CCC[C@@H](C)CS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 95399846 FCWVOWSRTAJTFB-XLIONFOSSA-N 382.570 2.788 0 40 GFAB CCOC[C@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 95959549 BZVNBDLVSWHOQL-FQEVSTJZSA-N 383.492 2.855 0 40 GFAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 95980028 MSPJNBVOATUXET-NSHDSACASA-N 381.406 2.941 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)cc1OC 85878888 LJLWILZHNJYDTJ-MRXNPFEDSA-N 395.415 2.513 0 40 GFAB biogenic Cc1cccc(C)c1OCCO[C@H](O)CN1CCN(Cc2ccccc2)CC1 27530929 KDRYWTJLQOOGNH-QFIPXVFZSA-N 384.520 2.835 0 40 GFAB C[C@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)n1cnc2ccccc21 60473217 CGDVBJVAIQOZOX-CQSZACIVSA-N 393.447 2.706 0 40 GFAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 514696210 HESYDTXOIQACGA-XJKSGUPXSA-N 380.414 2.990 0 40 GFAB Cc1sc(C(=O)O)cc1CN1CCCN(S(=O)(=O)c2ccccc2)CC1 521257294 HZZYCFGELFTLEO-UHFFFAOYSA-N 394.518 2.651 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)COCc3ccccc3)C2)ccn1 72356495 RMCKCHXGVSIYBJ-SFHVURJKSA-N 391.475 2.977 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1nccs1 71334939 HPXKBOLWRWYHOA-GFCCVEGCSA-N 393.900 2.655 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N2C(=O)[C@H](C)Oc3ccccc32)cc1 36734632 VBBICHYKXJXQQU-JYJNAYRXSA-N 398.459 2.781 0 40 GFAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCCC(=O)O)=N1 34857341 RHVZQDGTHXWHEZ-ZDUSSCGKSA-N 388.276 2.961 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(Cc4ccccn4)CC3)c12 36611669 FSCAAURACPETLU-UHFFFAOYSA-N 390.491 2.507 0 40 GFAB COC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccc(F)cc1 561640159 ILLIQTGAWPONSK-CYBMUJFWSA-N 378.347 2.906 0 40 GFAB C[C@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1 41270130 LBAYKWYFIIEQFZ-AWEZNQCLSA-N 392.452 2.629 0 40 GFAB COCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224113632 ROTSEXKDNFIJGM-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB COC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl 224813642 LSMZCTSOKSAYSK-UHFFFAOYSA-N 399.852 2.969 0 40 GFAB CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 40012987 GNAGPFAZTQVLJF-IBGZPJMESA-N 394.471 2.936 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222947870 WBPPNAXNEPPXJO-MRXNPFEDSA-N 392.496 2.725 0 40 GFAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399599 DVCVDXHOFCJIRG-CQSZACIVSA-N 393.378 2.717 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 225938705 JHAQZCNATCGWKU-XIKOKIGWSA-N 392.864 2.896 0 40 GFAB CN(C)C(=O)c1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 225814054 QUEPPJLLYIVIPX-UHFFFAOYSA-N 381.461 2.925 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894108 QYHFEPVLBGYTQM-KDURUIRLSA-N 385.552 2.989 0 40 GFAB C[C@H](C(=O)NCc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O 45363819 UVIKATQNZYXCAS-LLVKDONJSA-N 387.233 2.750 0 40 GFAB O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1ccc(-n2cccn2)cc1 225625223 VHCYHJKGOXDDHR-FQEVSTJZSA-N 398.488 2.714 0 40 GFAB CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCCC1 44940416 INKKRKNSFQQLGL-INIZCTEOSA-N 386.901 2.658 0 40 GFAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 225376079 UCJBMVNITSJLBB-UHFFFAOYSA-N 388.489 2.506 0 40 GFAB CCCc1ccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1 223928009 FOHFGRFONZOJIU-UHFFFAOYSA-N 376.478 2.819 0 40 GFAB COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cn1 96111816 UTPRYTCLNHUXDW-HKUYNNGSSA-N 379.460 2.869 0 40 GFAB biogenic,in-vitro O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98211782 LSGLFHULMPMFGX-UHFFFAOYSA-N 394.406 2.907 0 40 GFAB CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(OC)cc1 248004169 FQHKJRCWNPPAQA-DAESXHAQSA-N 387.480 2.763 0 40 GFAB O=C(c1ccnnc1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257218493 DDIMVUVKJGLOFW-FUHWJXTLSA-N 381.432 2.717 0 40 GFAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2cccnc2Cl)C1 257290348 QCOQLTVCRGECST-HXUWFJFHSA-N 387.867 2.912 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@H](c2ccccc2Cl)C1 41172818 UEEQYHZJNILUDC-SFHVURJKSA-N 395.864 2.873 0 40 GFAB O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cc(COc2ccccc2F)on1 1630116733 JFLXYLWBXISGPQ-UHFFFAOYSA-N 394.366 2.503 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CC[C@H](n4cc(CN)nn4)C3)sc2C)cc1 638900426 GQUAJYQZIUMAJI-INIZCTEOSA-N 397.504 2.870 0 40 GFAB O=C(NCc1nnnn1C1CC1)c1ccc(C(F)(F)F)cc1N1CCCC1 671748070 RUVJQJJNROATAE-UHFFFAOYSA-N 380.374 2.557 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1ccnc(C2CC2)n1 601717327 RZTZPAITUZSBFT-UHFFFAOYSA-N 378.476 2.708 0 40 GFAB CCn1ncc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(OC)nc2)c1C(F)(F)F 606444935 IYINVECMNGBMFH-RISCZKNCSA-N 399.373 2.977 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NC[C@](O)(c3ccco3)C3CC3)CC2=O)cc1C 77099467 BFNQQFVXYSASRR-OPAMFIHVSA-N 382.460 2.663 0 40 GFAB COc1cc(NC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(OC)c1 96374659 KGFGTBVXJUGLJS-UHFFFAOYSA-N 384.498 2.771 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1F 1615159832 PTHCALVPMIGEBK-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB O=C(CN1CCC(c2ccncc2)CC1)N1CCN(c2ccccc2F)CC1 12117352 VEGZJENZHXGFAQ-UHFFFAOYSA-N 382.483 2.749 0 40 GFAB COc1cc(-c2cnc(N3CCOCC3)nc2-c2cccs2)nc(OC)n1 12327923 LTZBLGLGESHLEN-UHFFFAOYSA-N 385.449 2.516 0 40 GFAB Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2cncn2)cc1 13494802 IYSZDQUYRABFPT-SFHVURJKSA-N 378.480 2.992 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(N2CCCC2=O)c1 18081621 PQEZCRQRWDUBFN-UHFFFAOYSA-N 398.415 2.870 0 40 GFAB CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N3CCN(Cc4ccccn4)CC3)c2C1 19082388 HQFDTJQBQIMLNP-INIZCTEOSA-N 381.524 2.914 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 19169101 XGAHIIPBGMMIDK-UHFFFAOYSA-N 383.267 2.668 0 40 GFAB CCOC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCN(CC(C)=O)CC1 19530184 LJHNIFMNGCXNAP-GOSISDBHSA-N 390.455 2.943 0 40 GFAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)cc12 19590542 GADKYYBKGXNWNW-LJQANCHMSA-N 391.475 2.932 0 40 GFAB COc1ccc(-c2cc(C(=O)Nc3ccc4nc[nH]c(=O)c4c3)nn2C)cc1 19716172 WRZCCPZAVKKPAY-UHFFFAOYSA-N 375.388 2.585 0 40 GFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)cc2n1 100137882 KLAJYCBOWHHLLV-OAHLLOKOSA-N 383.452 2.687 0 40 GFAB CC(C)c1nccn1CCC(=O)N1CCC[C@]2(CNC(=O)c3ccccc3O2)C1 19454473 KULSSEGKILYQKP-QFIPXVFZSA-N 396.491 2.580 0 40 GFAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cnnn2)cc1 7183515 CBKDHVCICUEILD-LJQANCHMSA-N 391.431 2.573 0 40 GFAB O=C([C@@H]1CCOC1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888910620 DBZIRKOMQKTGBE-QGZVFWFLSA-N 389.459 2.829 0 40 GFAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1OC[C@H]1CCCO1 26238836 AVXHZLVVQXLAAH-MRXNPFEDSA-N 380.400 2.609 0 40 GFAB O=C(OCc1cc(Cl)c2c(c1)OCO2)[C@@H]1CCCCN1c1ncccn1 31272357 MYRIYALXRPVBPO-AWEZNQCLSA-N 375.812 2.961 0 40 GFAB O=C(c1ccc(Oc2nccs2)cc1)N1CCC(N2C(=O)COC2=O)CC1 244998634 KNFVOCJIVOHENC-UHFFFAOYSA-N 387.417 2.519 0 40 GFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)ccc12 2712376 QLJKAUDMJDKCOW-UHFFFAOYSA-N 394.427 2.809 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)cc1 4793080 BAIYDCUMQZHGCD-UHFFFAOYSA-N 399.450 2.960 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)cc1 4852033 YNQUZKBPSQHMOU-CYBMUJFWSA-N 377.400 2.832 0 40 GFAB Cn1cc(C(=O)Nc2ccc(F)cc2F)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 9659583 JKGHAWHZYURGRR-UHFFFAOYSA-N 396.353 2.548 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)c(C)c1 20489088 CYLQRCUBPVWXCF-UHFFFAOYSA-N 385.370 2.533 0 40 GFAB COc1ccc2cc(C(=O)N3CC[C@@H](S(=O)(=O)Cc4ccco4)C3)[nH]c2c1 585268234 PUPMQRCHAZQZQJ-MRXNPFEDSA-N 388.445 2.599 0 40 GFAB COc1c(C)cc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1C 96096507 QXXFVGBWERKJOZ-LJQANCHMSA-N 388.489 2.816 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1cnc3cc(C)nn3c1C)O[C@H](C)C2 25387351 GTTJZTRYKRZGAU-CYBMUJFWSA-N 380.448 2.998 0 40 GFAB COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 40088562 AXULEIWHOGYBPQ-CYBMUJFWSA-N 395.419 2.564 0 40 GFAB Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1 40051528 GGENCAOWGZOHMZ-UHFFFAOYSA-N 375.375 2.590 0 40 GFAB COc1c2c(cc3c1[C@H](c1c(O)c4ccccc4oc1=O)N(C)CC3)OCO2 20113688 VJLLAJFALOGHNM-QGZVFWFLSA-N 381.384 2.813 0 40 GFAB biogenic CSc1ccc(CN(C)C(=O)CN2CCN(c3nccs3)CC2)cc1 36408805 PVAKOYGOIKCEGV-UHFFFAOYSA-N 376.551 2.646 0 40 GFAB COCC(=O)OCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 4806394 CEXPWARZIUGQAW-IBGZPJMESA-N 382.416 2.563 0 40 GFAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl 36569655 ICMAVXYBKRPWHW-RFAUZJTJSA-N 397.262 2.935 0 40 GFAB Cc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6811042 ACDRMNSFWOIGLA-QGZVFWFLSA-N 391.464 2.729 0 40 GFAB CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2OC)s1 1379760 CTGYPLHQOQHZOE-GFCCVEGCSA-N 375.454 2.744 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)[nH]2)cc1 51317211 BKQMIYOATPPSCV-UHFFFAOYSA-N 375.431 2.502 0 40 GFAB COCCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccc(C)cc1 4890290 ABJTWCKXVNVUSK-INIZCTEOSA-N 390.509 2.591 0 40 GFAB COc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 6327848 ZXNIXEUDJWHMLR-UHFFFAOYSA-N 390.505 2.631 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 7777028 XJYMCBIDDNLWDD-UHFFFAOYSA-N 396.468 2.843 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)c1 7940142 MCOMPUVGBKOXCQ-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nc4ccc(OC)cc4[nH]3)nc2c1 7985695 XHQZHJDQEWEXGH-UHFFFAOYSA-N 396.428 2.887 0 40 GFAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc2c(c1)CCC2 32513657 BKTFYLRHQQWCMN-SFHVURJKSA-N 392.546 2.589 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C 2618328 VLLIUFSTIOXECX-CYBMUJFWSA-N 389.839 2.652 0 40 GFAB C[C@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)N(C)c1ccccc1 32910888 DJQRSQAXNKNOMK-AWEZNQCLSA-N 380.400 2.548 0 40 GFAB Cc1csc2nc(CSc3nnc(NC[C@H]4CCCO4)s3)cc(=O)n12 8157036 BFGOFQLUWWISCW-LLVKDONJSA-N 395.535 2.799 0 40 GFAB NC(=O)N[C@H](CC(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1Cl 29852142 ZSRFBTWVHNMOLN-OAHLLOKOSA-N 384.827 2.659 0 40 GFAB O=c1[nH]c(CN[C@H](CN2CCOCC2)c2ccccc2)nc2cc(Cl)ccc12 22934939 XZYJAFSYCYORQW-LJQANCHMSA-N 398.894 2.740 0 40 GFAB CCOC(=O)c1sc(NC(=O)CN2CCC(C)CC2)c(C(=O)OC)c1C 945119 ZDLCMZLIXCBOFK-UHFFFAOYSA-N 382.482 2.690 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 106574018 GONRLJUQFHLLBM-FGTMMUONSA-N 376.520 2.929 0 40 GFAB CC(C)[C@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc(F)cc1 34862957 YMCFFGLESBKMHE-SFHVURJKSA-N 376.501 2.918 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 57486547 TUXNBYHYKPOLOZ-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB O=C(COC(=O)c1ccc(CN2CCOCC2)cc1)NCCC1=CCCCC1 22358632 CNTXZOPGZFFACE-UHFFFAOYSA-N 386.492 2.682 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1OC 35884324 RAMYALOFFUOKFA-CYBMUJFWSA-N 376.359 2.974 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(Br)c1 27384279 LTMVAVINKMLQAE-LLVKDONJSA-N 397.294 2.930 0 40 GFAB Cc1ccccc1OCCCC(=O)N(CCCO)S(=O)(=O)c1cccs1 58014397 NMCZEUNMUPFQQK-UHFFFAOYSA-N 397.518 2.815 0 40 GFAB CC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1 58223256 PHWOSIZHOLDYCC-UHFFFAOYSA-N 377.448 2.726 0 40 GFAB CN(C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 2399362 OZXQITNTKLDDSF-UHFFFAOYSA-N 398.536 2.538 0 40 GFAB C[C@]1(CSc2ccccc2C(=O)N2CCc3ccccc3C2)NC(=O)NC1=O 12783254 WZYSVFQBPLRCMZ-OAQYLSRUSA-N 395.484 2.575 0 40 GFAB Cc1cnc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cn1 48353897 LCDCAYQBNIUMMI-UHFFFAOYSA-N 379.247 2.690 0 40 GFAB Cc1ccc(/C=C/C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1Cl 12807826 JOVFRSNVONPBNF-VOTSOKGWSA-N 399.926 2.780 0 40 GFAB COc1ccc(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1OC 12862992 GEPACGMMDHESEY-OAHLLOKOSA-N 385.416 2.809 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCN2Cc1cccc(Cl)c1)N1CCOCC1 15401371 NYDNZUDUGDTVLA-UHFFFAOYSA-N 392.908 2.924 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NC1CC1 7888196 ZOJJPMVQJFPRKU-UHFFFAOYSA-N 378.428 2.863 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)N(C)C)cc1 7997253 UIPZIZLEJQOBHK-AUUYWEPGSA-N 387.505 2.632 0 40 GFAB COc1ccc(-c2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)cc1 5109737 RTOYSPARXIYOLD-UHFFFAOYSA-N 386.477 2.584 0 40 GFAB COc1ccc(C(=O)N[C@]2(C(F)(F)F)Nc3nc4ccccc4n3C2=O)cc1 5209965 AFPSQQWYWOLPLW-KRWDZBQOSA-N 390.321 2.799 0 40 GFAB Cc1cc(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 16774884 CNLOFRWUPLBYEC-ZIAGYGMSSA-N 378.519 2.669 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 8429724 BWSLCQRERBMFQL-LJQANCHMSA-N 393.443 2.703 0 40 GFAB COc1c(C)cnc(CN2CCC(N(C)[C@@H]3CCN(C(C)C)C3=O)CC2)c1C 91708626 VILBUAJMVKFBCW-HXUWFJFHSA-N 388.556 2.613 0 40 GFAB NC(=O)CCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 9691887 OVPKRHKQPLDGSD-UHFFFAOYSA-N 378.251 2.763 0 40 GFAB COC(=O)c1c(C)cccc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C 8704650 OHQSDTMYRWHWLD-UHFFFAOYSA-N 381.432 2.957 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c1 70831775 NXOZRMRQRKZIEQ-OAHLLOKOSA-N 387.379 2.572 0 40 GFAB CC(C)C[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nnc2ccccn12 96118829 ZFNMUAFKTNFGDN-YJBOKZPZSA-N 391.475 2.977 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3cc(-c4ccco4)on3)o2)C1 9365818 XLHXSRWWKJMGCI-JTQLQIEISA-N 381.435 2.587 0 40 GFAB NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 96305642 FUKZBHOABIIWQM-MRXNPFEDSA-N 394.338 2.855 0 40 GFAB COc1cccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 113967106 VNSRMYDDODYKBH-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)NCCc3nc4ccccc4n3C)CC2)n1 95480827 JWSQOWQMWAPMIY-UHFFFAOYSA-N 392.507 2.555 0 40 GFAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccccn1 61720954 UESCDFKUVBVHFD-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB O=C(c1ccncc1)N1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 95430350 FCYCVBOSFAZLGS-UHFFFAOYSA-N 383.402 2.708 0 40 GFAB O=C(Cn1ccnc1)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 552734136 CNILVCZMHZVXAN-UHFFFAOYSA-N 389.503 2.887 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 31931661 VWOIKMKWHZZILH-UHFFFAOYSA-N 388.489 2.536 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584533 QYZWPTHQCCXBNP-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB Cn1ncc(Br)c1-c1nn2c(Cc3ccccc3)nnc2s1 72404935 NACAEUDERZKVMP-UHFFFAOYSA-N 375.255 2.940 0 40 GFAB COc1cc(OC)c2c(C)c(CC(=O)NCCCn3cccc3)c(=O)oc2c1 72324976 ZKASIILRDNTQAG-UHFFFAOYSA-N 384.432 2.669 0 40 GFAB biogenic Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72374895 KCQPJLMELUILOE-MRXNPFEDSA-N 389.525 2.823 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1C 70762728 CBIUKYWSFQWECM-INIZCTEOSA-N 389.395 2.732 0 40 GFAB CCOc1ncccc1CNC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 31324196 JCBBFGRMPMDADR-UHFFFAOYSA-N 398.850 2.918 0 40 GFAB Cc1cccc(CC(=O)N2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1 72395839 GVIQRHFTJIXNNX-XXBNENTESA-N 376.456 2.723 0 40 GFAB CN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1 121963067 HYSJCGSIQASNLW-KRWDZBQOSA-N 388.489 2.726 0 40 GFAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccc4[nH]ccc4c2)C3)C1 72380243 ZLQUNVLFTPJMRD-SFHVURJKSA-N 378.480 2.501 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 38836245 BRKSFIYLTTWLST-UHFFFAOYSA-N 376.460 2.902 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218433489 IVOMYWUFIFBWNR-AOIWGVFYSA-N 393.892 2.849 0 40 GFAB CC(=O)N1CC[C@H](c2c(C(=O)NCc3noc(C)n3)sc3ccccc23)C1 72352595 MMEGPRKHHZEXNB-ZDUSSCGKSA-N 384.461 2.859 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)c1ccccc1 223913269 PNVRPVRGHJLKMN-GOSISDBHSA-N 376.478 2.903 0 40 GFAB COc1ccc(CNC(=O)NCc2nnc3c(C(F)(F)F)cccn23)cc1 225809494 KIFYANISYIABBW-UHFFFAOYSA-N 379.342 2.756 0 40 GFAB CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)s1 223083272 IPGMRXJKRSVODI-UHFFFAOYSA-N 398.535 2.750 0 40 GFAB O=C(Nc1cccc(OC(F)F)c1)[C@H]1COCC(=O)N1Cc1ccccc1 77197632 MFQRZLASUDKFMO-MRXNPFEDSA-N 376.359 2.654 0 40 GFAB Cc1ccc(C(=O)N2CCc3c(CNc4ncccn4)nn(C)c3C2)cc1C 96255911 SYBGZRDCPWCJGZ-UHFFFAOYSA-N 376.464 2.638 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 249221310 DJDHVTMQNYHQIN-DPDCMNJDSA-N 389.249 2.503 0 40 GFAB COC[C@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242522379 IPXMBYZWBZGOAE-SCTDSRPQSA-N 391.514 2.554 0 40 GFAB N[C@@H]1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257310353 UESKTGFDSZAUDT-ZRNYENFQSA-N 392.421 2.972 0 40 GFAB CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N 257310767 UGLRFKPRRRLTLA-UHFFFAOYSA-N 396.520 2.928 0 40 GFAB Cc1cc(C2(NC(=O)Nc3cccnc3-c3cnn(C)c3)CCOCC2)on1 626530339 IGIVPCDEABNDFR-UHFFFAOYSA-N 382.424 2.606 0 40 GFAB CO[C@](C)(C(=O)O)C(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 663156035 GYPZBJSCRJSQTC-GCJKJVERSA-N 388.508 2.625 0 40 GFAB C[C@H](NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1ccc2c(c1)CCCO2 667427836 RTUCUTHNRVHCMX-BXANYGPJSA-N 394.515 2.881 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(C(F)(F)F)cc1C1CC1 96103747 NWTXQJOKHDVLEK-UHFFFAOYSA-N 394.353 2.504 0 40 GFAB Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)n1 95942798 UMUSKRLYVCTLCX-UHFFFAOYSA-N 382.449 2.607 0 40 GFAB Cc1nccn1CCC1CCN(C(=O)COc2ncnc3ccccc23)CC1 12143814 IPNSPBVSEXYJNY-UHFFFAOYSA-N 379.464 2.842 0 40 GFAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407905 VGLVEJVBSYFSEE-JPIQDLEPSA-N 379.455 2.943 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1C 12445166 OMRTWJDTCPOUQN-UHFFFAOYSA-N 389.477 2.612 0 40 GFAB O=C1C[C@H](C(=O)NCc2ccccc2)n2nc(SCc3ccccc3)nc2N1 14164643 DYHKCQFGHPMXDF-MRXNPFEDSA-N 393.472 2.770 0 40 GFAB CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)no2)c1C 19524055 SDVJKZKEXHXDMI-LLVKDONJSA-N 381.392 2.838 0 40 GFAB C[C@H](c1cc(=O)[nH]c(NCc2cccc(F)c2)n1)n1ncc2ccccc2c1=O 19717428 BUBDICUKCUCNAI-CYBMUJFWSA-N 391.406 2.840 0 40 GFAB C[C@H](c1cc(=O)[nH]c(NCc2ccc(F)cc2)n1)n1ncc2ccccc2c1=O 19717930 IKXLUFHIHFJYFD-CYBMUJFWSA-N 391.406 2.840 0 40 GFAB Cc1cc2nn(-c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc2cc1N 226305694 GYWCROAJLNRIJW-AWEZNQCLSA-N 385.493 2.874 0 40 GFAB Cc1cc(C)n(CCC(=O)NC2CCN(c3nc4cccnc4s3)CC2)n1 575604061 PLGBIUUMVLGQLD-UHFFFAOYSA-N 384.509 2.680 0 40 GFAB COc1ccc(CNC(=O)C2CCN(c3cc4c(nn3)CCC4)CC2)c(OC)c1 585150520 PAANUWAJKAAALX-UHFFFAOYSA-N 396.491 2.515 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)cc1 3336997 AKDASVVRBHECQR-GOSISDBHSA-N 390.461 2.665 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888900806 ISIBRFDFDKFSEO-UHFFFAOYSA-N 375.841 2.818 0 40 GFAB c1ncc(-c2cnc3nc(C4CCN(CCn5nccn5)CC4)ccc3c2)cn1 1889014788 PSFZZZOIVTUNPV-UHFFFAOYSA-N 386.463 2.558 0 40 GFAB FC(F)(F)c1nnc2ccc(N3CCC(c4nnc(C5CC5)o4)CC3)nn12 1261426223 GQJQGJIXQDTOOR-UHFFFAOYSA-N 379.346 2.788 0 40 GFAB Cc1nc2ccccc2nc1N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 1146165040 ASICWJIDMRTZRN-IAGOWNOFSA-N 394.500 2.695 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccccc4C)cn(C)c3c2=O)cc1 17052061 BXZYPYNZXPNLOI-UHFFFAOYSA-N 388.427 2.887 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 17316191 HEOKUUSMEXOOKP-UHFFFAOYSA-N 392.452 2.946 0 40 GFAB COc1ccc2c(C)cc(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)nc2c1 2086889715 SNBJFJHXLAHZJW-OAHLLOKOSA-N 389.521 2.945 0 40 GFAB O=C([C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1)N1CCC(F)(F)CC1 2086884691 JQKCLUWLSMATIS-GFCCVEGCSA-N 379.329 2.563 0 40 GFAB O=C(Cn1ccc2ccccc21)N1CCC(n2cnc3ncccc3c2=O)CC1 575618979 YKPBFVMRUGFIOV-UHFFFAOYSA-N 387.443 2.610 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@@H]2C)cc1 20167725 GNJKFKNQBYNZNU-PBHICJAKSA-N 391.468 2.587 0 40 GFAB COC(=O)CCNC(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 40104516 MGBXFYOOPZSRIG-UHFFFAOYSA-N 389.839 2.955 0 40 GFAB COCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c1 40133074 CRMQLDLUYIDPJJ-UHFFFAOYSA-N 378.450 2.771 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 30845212 HTXBBOJEEDQUGJ-UHFFFAOYSA-N 378.881 2.934 0 40 GFAB COC(=O)c1ccccc1N(C)C(=O)CSc1nnc(NC2CC2)s1 11017013 AFUKSYUIGLEQOD-UHFFFAOYSA-N 378.479 2.654 0 40 GFAB COc1ccc(Br)cc1CN(C)S(=O)(=O)c1c(C)noc1C 7218733 WIIZOHJEOJTWBV-UHFFFAOYSA-N 389.271 2.883 0 40 GFAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 28874990 XPGKQCZIEZUZOL-MRXNPFEDSA-N 398.459 2.742 0 40 GFAB COc1ccc(C2(O)CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 1347888 ILBRJCULTBAGRD-UHFFFAOYSA-N 385.460 2.765 0 40 GFAB COCCn1c(SCC(=O)N2CCCC[C@H]2C)nc2ccccc2c1=O 4187663 GTGUXLKWMNQDHU-CQSZACIVSA-N 375.494 2.536 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6646598 YZQYBSREJXVOLM-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB COC(=O)c1c(C)cccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11618576 FIQMVYSTOLSEHB-UHFFFAOYSA-N 381.432 2.959 0 40 GFAB COC(=O)c1cc(C)nc2c1c(=O)nc(SCc1ccccn1)n2C1CC1 21098449 LWJUHEHBCOURSO-UHFFFAOYSA-N 382.445 2.909 0 40 GFAB C[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)OCCO2 32744488 TXPYHNNZCIQSJC-AWEZNQCLSA-N 384.432 2.780 0 40 GFAB CN(C)c1ccc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)cn1 32816482 JYOIMSHJKKCGHH-UHFFFAOYSA-N 387.241 2.743 0 40 GFAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc2c(F)cccc2[nH]1 41328521 VTUYTBLSLINASD-UHFFFAOYSA-N 384.430 2.998 0 40 GFAB C[C@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)N1CCCC1 83888671 MTQNBEJPOFQKLE-ZUZCIYMTSA-N 384.263 2.614 0 40 GFAB O=C(Nc1ccccc1F)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858270 YMMLDRSKAQSVDV-UHFFFAOYSA-N 382.800 2.798 0 40 GFAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc5c(c4)OCCO5)n(C)c3nc12 2917426 ZTWNSOZEZRISRJ-UHFFFAOYSA-N 390.399 2.518 0 40 GFAB COc1cc(S(=O)(=O)N2CCC(C)CC2)c(OC)cc1Br 887328 CCQYLZPMHNHOGW-UHFFFAOYSA-N 378.288 2.887 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1F 800495 NBPFHRGBXWBZLX-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104669966 KXJPJZIZSNDIMK-QAETUUGQSA-N 397.475 2.857 0 40 GFAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1cccc(Cl)c1 1024557 QYXVBZGQNIZDJF-UHFFFAOYSA-N 386.791 2.789 0 40 GFAB COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c(OC)c1 1291802 YMMAQXHTYNFPCN-GOSISDBHSA-N 399.451 2.855 0 40 GFAB Cc1ccc(-c2noc(COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1 24993555 FXNBATNSPSMXCB-BPUTZDHNSA-N 397.431 2.652 0 40 GFAB C[C@H](NC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1ccc(-n2cncn2)cc1 25011233 SLKWTGDWYCMBMO-UONOGXRCSA-N 377.404 2.614 0 40 GFAB O=c1cnc2ccccc2n1C[C@@H](O)COc1ccc(Br)cc1 28920426 CBWNBBBLVGHMNU-CYBMUJFWSA-N 375.222 2.599 0 40 GFAB CCOc1ccc(NCC(=O)Nc2ccccc2C)cc1S(=O)(=O)N(C)C 12527137 UNPZAFSEBFMLKB-UHFFFAOYSA-N 391.493 2.695 0 40 GFAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCC(C(N)=O)CC3)c(C)c12 25320123 MIJUNXCFCHHUAI-UHFFFAOYSA-N 384.461 2.906 0 40 GFAB CCn1nc(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)c2ccccc2c1=O 26057252 SJVIBROGPVIZTC-UHFFFAOYSA-N 380.404 2.636 0 40 GFAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCNC(=O)COc1ccccc1 26004575 SQERYXJUQWEISS-HOJAQTOUSA-N 390.524 2.775 0 40 GFAB CN1C(C(=O)Nc2ccc(F)cc2F)=CC(c2ccc(F)cc2)=NS1(=O)=O 20219968 CXTMHHPTBNUMIW-UHFFFAOYSA-N 395.362 2.606 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cc(F)ccc1F 20021779 FJKQHXRYPRFWLQ-UHFFFAOYSA-N 398.431 2.977 0 40 GFAB COc1cc(CNC[C@@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O 108880406 WPULDPMTLOXXQT-AWEZNQCLSA-N 390.867 2.869 0 40 GFAB Cc1c(NC(=O)CN2c3ccccc3C[C@H]2C)c(=O)n(-c2ccccc2)n1C 3348144 GQRBHELNGWJFCQ-OAHLLOKOSA-N 376.460 2.874 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CCCc2ccccc21 3352812 RPEMJERXWCIMSU-SFTDATJTSA-N 398.528 2.957 0 40 GFAB Cc1ccccc1[C@H](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)NC(N)=O 27843549 DHZYYBCOVSDWRK-PXNSSMCTSA-N 380.492 2.737 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 28057183 DNEQTTSMKWZTAU-UHFFFAOYSA-N 398.794 2.749 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccccc3O)CC2)c1C 36389754 HLPLQBLDHOTYHM-OAHLLOKOSA-N 385.464 2.517 0 40 GFAB COc1ccc(-c2nc(COC(=O)c3nc4nccc(C)n4n3)cs2)cc1 12854986 OLDJRJYMDWWMRO-UHFFFAOYSA-N 381.417 2.922 0 40 GFAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 12820429 VPPKMPPZYKTWTF-UHFFFAOYSA-N 392.242 2.655 0 40 GFAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)s1 3432206 QYEKUAKGOAYUDR-VXGBXAGGSA-N 395.506 2.502 0 40 GFAB CC(C)CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860575 YMMLOFDOXTVRQK-UHFFFAOYSA-N 388.493 2.695 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1C 408551720 ILLABEXTJSPWNJ-CYBMUJFWSA-N 396.896 2.640 0 40 GFAB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2cccc(Br)c2)c1 12971640 UMMMJIJUFMUSEI-UHFFFAOYSA-N 388.214 2.593 0 40 GFAB CCn1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(=O)c2ccc(C)nc21 7990885 ORFNICSWCPPPDT-CQSZACIVSA-N 393.443 2.987 0 40 GFAB CC(C)CCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2cc(Cl)ccc2c1=O 3532316 OHIKDVVQZHZJJA-JTQLQIEISA-N 396.900 2.772 0 40 GFAB CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)OC)cc2)cc1 13001329 WPKAKUDCOOOMRI-UHFFFAOYSA-N 398.459 2.698 0 40 GFAB O=C1[C@@H](NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1c1ccccc1 68942103 ZDTMORGBOLANAS-AWEZNQCLSA-N 384.379 2.789 0 40 GFAB COC(=O)c1sc2ccccc2c1NC(=O)CN1C(=O)c2ccccc2C1=O 4176826 UNSLPHISFLFBCR-UHFFFAOYSA-N 394.408 2.923 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 39998387 AOWNTXOVSZJJRT-OAHLLOKOSA-N 382.441 2.926 0 40 GFAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)NC(CC)CC)c2C)C1 70004927 JSENNRMPUCZWMK-UHFFFAOYSA-N 398.511 2.582 0 40 GFAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 5219243 XNVPHWHHTMBIIP-MHZLTWQESA-N 384.457 2.608 0 40 GFAB NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 8310560 VQWIGLFZDOUZAH-UHFFFAOYSA-N 389.864 2.859 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(S(C)(=O)=O)c1 14188257 BWMJWRYTAYWFIM-UHFFFAOYSA-N 397.500 2.882 0 40 GFAB CCCn1c(=O)n(CC(=O)NCC(=O)Nc2ccccc2CC)c2ccccc21 14186120 YVEJFALHJUGNDT-UHFFFAOYSA-N 394.475 2.530 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCc1ccccc1)c(=O)n2CCCC 8391769 HUKQCDJNFBRFSI-UHFFFAOYSA-N 396.491 2.632 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1C 15414965 UJRAOWAECLDWHM-DLBZAZTESA-N 397.562 2.590 0 40 GFAB COc1cccc(OCCNS(=O)(=O)c2ccc(Br)cc2)c1 26836538 QOVRSRKLUNBMCS-UHFFFAOYSA-N 386.267 2.815 0 40 GFAB CN1CC(=O)N(CCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1=O 8883643 URHQFHWRXMVPSD-AWEZNQCLSA-N 386.477 2.634 0 40 GFAB CC(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccco1 9060569 BSNYLNINRDWZBF-INIZCTEOSA-N 375.450 2.985 0 40 GFAB COC(=O)c1ccc2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 19793724 WGYBOEZCGWHCIH-UHFFFAOYSA-N 391.471 2.945 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC[C@H]1CCCO1 9356005 HWAMXTGBBROAQY-XAVKZTDYSA-N 394.427 2.976 0 40 GFAB O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 9501199 GGQVPOUVVMQGIM-INIZCTEOSA-N 386.473 2.909 0 40 GFAB C[C@@H](C(=O)NC1CCCCC1)N1CCn2c(CCc3ccccc3)nnc2C1 72308573 JBIAOUJRMZWZRP-KRWDZBQOSA-N 381.524 2.716 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 95464364 LGJWZNWEDXJKHP-FXAWDEMLSA-N 386.448 2.749 0 40 GFAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1 408630455 UVFMLGQZAGGYRH-UHFFFAOYSA-N 380.485 2.677 0 40 GFAB C[C@H]1CN(C(=O)CCn2cc(Br)ccc2=O)Cc2ccccc2O1 553840280 BTBIIFFYQRCQOC-ZDUSSCGKSA-N 391.265 2.811 0 40 GFAB Cn1nccc1C(=O)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306130433 JGFUQVOTHJLYBX-KRWDZBQOSA-N 387.447 2.545 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 408645058 JOIVDDGWXZNXHE-QGZVFWFLSA-N 394.427 2.732 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc1C 408558290 QFPODFXRYYXEFT-MRXNPFEDSA-N 394.537 2.853 0 40 GFAB CC[C@@H](C)NC(=O)CN1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 36719619 JGHDYMRVBUMKKQ-GUIRCDHDSA-N 387.450 2.895 0 40 GFAB O=C1CCC[C@@H]2[C@H]3C[C@@H](CN(C(=O)C4(c5ccccc5)CCOCC4)C3)CN12 524731391 VRCSQTYFJAMMOX-CMKODMSKSA-N 382.504 2.594 0 40 GFAB biogenic O=C(O)c1c([C@H](C(=O)O)N2CCOCC2)c2ccccc2n1Cc1ccccc1 36358308 PEEDXLDBTZBJKA-LJQANCHMSA-N 394.427 2.846 0 40 GFAB O=C(NC1(CO)C2CC3CC(C2)CC1C3)c1cccn(Cc2ccccc2)c1=O 556873878 SGKSCJGQQVFOSR-UHFFFAOYSA-N 392.499 2.814 0 40 GFAB Cc1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1F 70637980 XXAVLGIAVICCRE-UHFFFAOYSA-N 380.427 2.965 0 40 GFAB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(SC)cc1 224982620 ABFSNVXUNMIQHA-UHFFFAOYSA-N 395.458 2.506 0 40 GFAB COc1cccc(-c2n[nH]c3c2CN(C(=O)Cc2cnc4ccccn24)CC3)c1 48170711 DWRBSPYVWANQLU-UHFFFAOYSA-N 387.443 2.860 0 40 GFAB Fc1cc(Br)ccc1-c1noc(-c2cn(C[C@@H]3CCOC3)nn2)n1 528168954 PWWBPEQQSQYOQI-VIFPVBQESA-N 394.204 2.933 0 40 GFAB O=C(NCc1ccco1)c1cc(C2CCN(C(=O)Cc3cccs3)CC2)n[nH]1 225560766 MAOUOHPRPIDXEB-UHFFFAOYSA-N 398.488 2.943 0 40 GFAB COc1cc2c(cc1S(=O)(=O)NC[C@@H]1COc3ccccc3O1)CCCC2 225282999 ITSBSBJGKBEUGG-MRXNPFEDSA-N 389.473 2.692 0 40 GFAB CC(C)[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1 96231612 NQSRUQSQPVXDEV-KRWDZBQOSA-N 379.399 2.805 0 40 GFAB COCCn1cc(CCC(=O)Nc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 95479543 ASHKVXGTGMTTTQ-QGZVFWFLSA-N 383.452 2.829 0 40 GFAB Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCC3(F)F)cs1 96239792 CFJIGXPXVUNIGW-MRXNPFEDSA-N 381.452 2.548 0 40 GFAB CCC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)N(C)C)CC1 257338147 YWCHAUVFGMCMOQ-UHFFFAOYSA-N 380.492 2.793 0 40 GFAB COc1ccc(-c2nc3sc(=Cc4ccccc4F)c(=O)n3n2)cc1OC 254397161 CHQHMEMTFHFJNY-UHFFFAOYSA-N 383.404 2.522 0 40 GFAB Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2C(=O)CCn2ccnc2)cn1 257318035 VMFHJDGIDSICDW-SFHVURJKSA-N 394.479 2.959 0 40 GFAB Cc1cc(Cn2nnc(C(=O)Nc3cnn([C@H](C)c4ccccc4)c3)c2C)on1 648502723 COSBHVCVWSZYAH-CQSZACIVSA-N 391.435 2.989 0 40 GFAB C[C@@H](C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1)n1cnc2c(N)ncnc21 616407204 UJNUSPSXRVIRBK-LBPRGKRZSA-N 399.480 2.502 0 40 GFAB Cc1ccn(-c2ccccc2NC(=O)N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)n1 626436550 XJGIPCNLULLBOZ-CXAGYDPISA-N 382.424 2.866 0 40 GFAB O=S(=O)(Nc1cnn([C@@H]2CCOC2)c1)c1ccc(OC(F)(F)F)cc1 96123264 ABIHQTQKQZEGHY-LLVKDONJSA-N 377.344 2.544 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](OCCO)c1ccc(C)cc1 96338066 WSDQRQXZOISXFR-LJQANCHMSA-N 393.505 2.649 0 40 GFAB CN1C(=O)CN(CC(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)C1=O 585123501 YADYPPWQIVIXHF-UHFFFAOYSA-N 398.366 2.661 0 40 GFAB COC(=O)COc1ccc(-c2coc3cc(OCC(=O)OC)ccc3c2=O)cc1 149630438 YZSWYPAACZCVOS-UHFFFAOYSA-N 398.367 2.564 0 40 GFAB CC(C)(C(=O)N1CCN(Cn2cc(Br)cn2)CC1)c1ccccc1 66350115 IEYJOPYSYRTYKV-UHFFFAOYSA-N 391.313 2.725 0 40 GFAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)N4CCCCC4)nc3c2c1C 12181999 BJPACHIDXZPTMC-UHFFFAOYSA-N 385.493 2.612 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@@H](COc3cccc(OC)c3)C2)c(C)n1 12239483 PFJZFBWQUORINV-MRXNPFEDSA-N 393.509 2.700 0 40 GFAB CCCc1nn2c(=O)cc(COC(=O)COc3ccccc3Cl)nc2s1 15734264 JCDJAJHMKISFNU-UHFFFAOYSA-N 393.852 2.879 0 40 GFAB Cc1ccc(-c2nc(C3CCN(C(=O)CCn4ccnc4C)CC3)no2)cn1 19215049 INXAETWOMREVIT-UHFFFAOYSA-N 380.452 2.741 0 40 GFAB CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@H](CN(C)C)C3)c2N1 19520870 HPGZWRJTRVZLJR-IPYPFGDCSA-N 387.450 2.995 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 19523039 AGHLYNYJJGBDGT-UHFFFAOYSA-N 399.442 2.880 0 40 GFAB C[C@@]1(C(=O)NCc2nnc3n2CCCCC3)CC(c2ccccc2Cl)=NO1 19661013 XHJDJHFZBCOVRL-IBGZPJMESA-N 387.871 2.857 0 40 GFAB Cc1cc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCCO4)nn2)no1 35315426 LHINQVWQIWORKI-UHFFFAOYSA-N 384.417 2.942 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885491 NKVDDHHSNMJOSL-KGYLXKDPSA-N 392.455 2.767 0 40 GFAB COC1(CNS(=O)(=O)c2c(C)nn(C(C)C)c2C)Cc2ccccc2C1 225721758 TYEJLQWOUSMHDT-UHFFFAOYSA-N 377.510 2.543 0 40 GFAB COc1ccc(C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)c(OC)n1 575606698 LGDKDYIHHJQPKU-UHFFFAOYSA-N 382.367 2.705 0 40 GFAB O=C(NCCCc1ccccc1)NCC1(N2CCSCC2)CCOCC1 1888869844 LNQASJXFOFADRL-UHFFFAOYSA-N 377.554 2.516 0 40 GFAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nccc4sccc34)CC2)n1 1889191961 CRJZSUOFIKKWRY-UHFFFAOYSA-N 396.520 2.558 0 40 GFAB COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@@H]2c1cc(OC)c2c(c1)OCCO2 84632670 SJGGWYVNZAEBPH-GOSISDBHSA-N 382.368 2.810 0 40 GFAB COCCN1CC[C@]2(CCCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)C1=O 1614936601 DWOMQGVTVWHIHC-GOSISDBHSA-N 399.413 2.592 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3CC)cc2)o1 2720177 RIJJJZKJKCOUEJ-AWEZNQCLSA-N 392.481 2.838 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1N 5257409 LSLGRTGBNQZBJL-UHFFFAOYSA-N 383.477 2.712 0 40 GFAB COCc1nsc(N2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)n1 1775975900 PUPIWBGWOSSNHU-UHFFFAOYSA-N 386.456 2.607 0 40 GFAB CCN1CCN(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)C(=O)C1=O 206882108 NTXYGXJIZWRQJB-OAHLLOKOSA-N 377.872 2.720 0 40 GFAB CCOC(=O)Cn1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C 2405935 YAEXLWBFFGOYDE-UHFFFAOYSA-N 397.475 2.566 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]23)c1OC 101313277 OIJBVVIAPHMQHN-BEFAXECRSA-N 380.400 2.613 0 40 GFAB O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1NCc1cccnc1 4954498 ZNFUSHNZKCNOBJ-FTUNRGFVSA-N 389.411 2.703 0 40 GFAB CCN(CC)C(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 6593990 IQOGXBBPZPCQLA-IOASZLSFSA-N 398.326 2.561 0 40 GFAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 46147546 GDUXBECIWOUMIQ-DLBZAZTESA-N 377.554 2.896 0 40 GFAB O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1cnc2ccccc2n1 8388647 QZHNWIDLFXPLBM-UHFFFAOYSA-N 382.807 2.982 0 40 GFAB CSc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1 8169644 SCSKHALOBUQAOS-UHFFFAOYSA-N 396.424 2.633 0 40 GFAB CCc1ccc2oc(C(=O)Nc3ccc4c(c3)OCC(=O)N4C)cc(=O)c2c1 11917657 RHNQTRAWOJTEHB-UHFFFAOYSA-N 378.384 2.963 0 40 GFAB Cc1nc(C2(NC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)CCCC2)no1 42698295 ATTAERYZUWUBOR-UHFFFAOYSA-N 397.410 2.571 0 40 GFAB COCCCn1c(O)nnc1S[C@@H](C)C(=O)Nc1cccc2ncccc12 24308556 QVZLPUOGINOLSO-LBPRGKRZSA-N 387.465 2.688 0 40 GFAB COC(=O)CSc1nc2nc(C(C)C)c(-c3ccc(F)cc3)c(N)n2n1 20676259 RGOLHRPZVOSANT-UHFFFAOYSA-N 375.429 2.901 0 40 GFAB C[C@H](C(=O)Oc1cccc2cccnc12)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100637088 FXERADPWPCNZNP-FQLKCXHASA-N 388.423 2.582 0 40 GFAB COc1ccc(NC(=O)CNc2ccccc2SCC(N)=O)cc1Cl 12522759 HAUMISOAVQGBCX-UHFFFAOYSA-N 379.869 2.977 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414548 QEWSTGKDQYKVEV-HXUWFJFHSA-N 395.459 2.608 0 40 GFAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 3219314 ZGHOQPZSEJQORO-UHFFFAOYSA-N 383.322 2.846 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1 3219604 VSOOACOIJIZKKX-UHFFFAOYSA-N 383.231 2.913 0 40 GFAB CN(CCN(C)C[C@@H]1COc2ccccc2O1)C[C@@H]1COc2ccccc2O1 22581221 XLOCDSFWANAFJC-QZTJIDSGSA-N 384.476 2.530 0 40 GFAB CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2Br)C1 58162146 UNHQPLLTWZDPEV-ZDUSSCGKSA-N 375.332 2.768 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)NC3CC3)[C@@H]2c2cccs2)cc1 10213094 TYRFPPBABONWMT-OXJNMPFZSA-N 398.484 2.973 0 40 GFAB Cc1ccccc1C[C@@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O 58227274 YUTBYTWRKGJYLA-OAHLLOKOSA-N 376.460 2.739 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)CCC(=O)c2ccc(Cl)cc2)c1 10547301 JSIAEIVVSZKVOG-UHFFFAOYSA-N 394.880 2.991 0 40 GFAB NS(=O)(=O)CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 36391911 UODYJLASTJPKJJ-UHFFFAOYSA-N 389.864 2.574 0 40 GFAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 3346056 DPGFBWOMQKXNCO-NYHFZMIOSA-N 379.460 2.865 0 40 GFAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cccs2)cc1 12738507 SHNXCHPBWGZFAM-UHFFFAOYSA-N 376.503 2.994 0 40 GFAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(-n3cnnn3)cc2)c1 12735498 OUKMSJTUZJQIAI-UHFFFAOYSA-N 392.448 2.531 0 40 GFAB COC(=O)[C@H]1CCCCN1C(=O)c1cc(OC)c(Br)c(OC)c1 12814151 OYDNCLQTMWXZOR-LLVKDONJSA-N 386.242 2.634 0 40 GFAB Cc1ccc(CC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1C 12880790 VEIAHKUOOPTRDR-UHFFFAOYSA-N 388.533 2.990 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1C 408611481 WJSJNQDVMTYQIX-INIZCTEOSA-N 390.505 2.719 0 40 GFAB O=C(COc1cccc2nsnc12)N1CCC[C@@H](c2nnc3ccccn23)C1 13719310 QEARDRQZNROJDR-CYBMUJFWSA-N 394.460 2.519 0 40 GFAB Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(CCO)C3=O)cc1Cl 5343379 SKQQYTNKDAQPKB-LJQANCHMSA-N 399.834 2.987 0 40 GFAB CC(C)CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14199531 DXOJRGKYRCZKBP-XOBRGWDASA-N 377.460 2.924 0 40 GFAB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 4554433 MGOWPOGTAXIHNT-AWEZNQCLSA-N 394.468 2.944 0 40 GFAB Cc1cc(OCC(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)ccc1Cl 14244867 CLVGSPIIVDSZGD-SFHVURJKSA-N 388.851 2.910 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1C 4778279 DJIUGUFPHCZYCK-ZDUSSCGKSA-N 396.896 2.640 0 40 GFAB O=C1c2ccccc2C(=O)N1CCc1nc2ccc(Br)cc2c(=O)o1 4823471 HIGZKQLXWFDEAI-UHFFFAOYSA-N 399.200 2.789 0 40 GFAB COc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 6810890 ORAQXYWEOCUZLY-QGZVFWFLSA-N 389.473 2.533 0 40 GFAB CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 4942543 OXXWCXQRNMPXBK-UHFFFAOYSA-N 393.530 2.734 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7386577 HDVOTTJIUYADLO-UHFFFAOYSA-N 394.518 2.686 0 40 GFAB CCOc1ccc2nc(SCC(=O)N(CCC(N)=O)c3ccccc3)[nH]c2c1 16744707 GVBRZSKABWNMMX-UHFFFAOYSA-N 398.488 2.962 0 40 GFAB CCCCc1ccc(-n2nnnc2SCC(=O)NC(=O)NC(C)(C)C)cc1 8229631 UMCNQQBQXDBABW-UHFFFAOYSA-N 390.513 2.721 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(NC(N)=O)cc3)ccc21 16809778 MFLKYTJGWRXNIS-LBPRGKRZSA-N 395.415 2.514 0 40 GFAB CCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 28208371 SVVDDDAUKWCVJL-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCc1ccncc1 9423089 DZPZXBLVHSFZAA-UHFFFAOYSA-N 386.411 2.936 0 40 GFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Oc1ccc(Oc2ccccn2)cc1 89883922 USBCOCSIQWGLLB-IAGOWNOFSA-N 378.384 2.731 0 40 GFAB NC(=O)c1cccc(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)n1 95983604 MJWDXANBILYLCT-UHFFFAOYSA-N 390.321 2.922 0 40 GFAB O=C(Nc1cccc(-c2ncon2)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 78726112 IDMZVFXHDQRNRT-QGZVFWFLSA-N 398.444 2.528 0 40 GFAB O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccn2)CC1 33237938 YUQMUKDLMNRHAP-UHFFFAOYSA-N 378.245 2.941 0 40 GFAB CN(C)C1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2O)Cc2ccccc2C1 500604052 QDWUUIMKDREFOE-UHFFFAOYSA-N 394.450 2.546 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 35876516 RSJWOWVMKRUPFD-NHCUHLMSSA-N 377.488 2.947 0 40 GFAB Cc1ccn(-c2ccc(C(=O)NCc3cccc(N4CCOCC4)c3)cc2)n1 548773970 YSMAIXTZDGDPLT-UHFFFAOYSA-N 376.460 2.947 0 40 GFAB COc1cccc(N(C)CCC(=O)N2CCC[C@@H]2c2ccc3c(N)n[nH]c3n2)c1 72374563 MUNQZKAPIMNJJG-GOSISDBHSA-N 394.479 2.739 0 40 GFAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccccc3)CC2)c1 30361126 YVQWENPOUYGKRU-UHFFFAOYSA-N 387.549 2.876 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217531818 WVCNMKVMTCQZPE-KBPBESRZSA-N 392.477 2.871 0 40 GFAB NC(=O)c1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 32124437 QXGPLRVLIPJDKO-UHFFFAOYSA-N 378.432 2.695 0 40 GFAB biogenic COc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)c1 72348720 GTZKUPMGDRXBCQ-LJQANCHMSA-N 395.503 2.795 0 40 GFAB Cc1cc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c(C)c1 223307393 QQTSKBCYAISMFW-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CCOc1ccccc1CNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222461421 XGNINWNSEXSQJV-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223543762 YXVGUNLHDNVKBB-KRWDZBQOSA-N 396.487 2.944 0 40 GFAB Cc1cc(N2CCC(NCc3nccn3C)CC2)nc(-c2ccccc2O)n1 95501277 LOVUIIZXUXYRQO-UHFFFAOYSA-N 378.480 2.650 0 40 GFAB CC(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@]1(C)CN(C(=O)OC(C)(C)C)C2 95951350 ZPQZTOPKXSKYCV-WOJBJXKFSA-N 397.516 2.759 0 40 GFAB O=C(c1cccc2cccnc12)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075572 FSFLDAVGWKYQHZ-FDDCHVKYSA-N 395.503 2.578 0 40 GFAB CN(C)c1nccc(N2CCN(Cc3ccc(Br)cc3)CC2)n1 531710608 FILSWCZDSADXBS-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc(C)c1 96520181 WFPSLFXQLWYNIQ-MNOVXSKESA-N 388.654 2.791 0 40 GFAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1nc(Cc2ccc(F)cc2)n[nH]1 95477119 IXUWYKGPBBLKOR-UHFFFAOYSA-N 382.395 2.877 0 40 GFAB CC(C)n1nccc1-c1cc(C2CCN(S(=O)(=O)N(C)C)CC2)ccn1 257337440 YSTXKMHOYQVXHB-UHFFFAOYSA-N 377.514 2.512 0 40 GFAB O=C(CO)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)CN2Cc1ccccc1 257319231 VRKDMQZBSCXKOT-WFXMLNOXSA-N 386.442 2.774 0 40 GFAB C=CCc1cc(C)ccc1OC[C@@H](O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 43741280 NMHNTFQSXJSKNO-GIVPXCGWSA-N 394.515 2.744 0 40 GFAB biogenic COc1ccc(Cl)cc1-c1cn(CC(=O)NC2CCN(C(C)C)CC2)nn1 641047321 KMINKTUSPQIBLD-UHFFFAOYSA-N 391.903 2.596 0 40 GFAB Cc1noc(CN2CCCC[C@@H](NC(=O)Nc3ccc(C4CCC4)cn3)C2=O)n1 644441425 RMTJEOVWACHJPN-MRXNPFEDSA-N 398.467 2.743 0 40 GFAB O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1CC[C@@H](C2CC2)N1 653082117 JTLYGFCHHMRYRO-GJZGRUSLSA-N 390.285 2.558 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccccc2)c(C)c1 90597981 YHCHMLBOSOUBRJ-QGZVFWFLSA-N 376.478 2.746 0 40 GFAB O=C(NC[C@@H]1COCCO1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 54618499 WAKAOEJNGPOJFA-OAHLLOKOSA-N 387.823 2.931 0 40 GFAB C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 56533960 JORFSVHACLIUOQ-KRWDZBQOSA-N 387.505 2.854 0 40 GFAB CCn1c(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc2ccccc21 69390322 VTBYENVDYJJKOU-UHFFFAOYSA-N 376.416 2.965 0 40 GFAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 5030315 RZHVKRQFYHQOII-LJQANCHMSA-N 386.404 2.853 0 40 GFAB CCN(C(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1)C1CCN(C)CC1 12122399 SJTCBZRVBOIBSN-RBPBXQJFSA-N 382.504 2.989 0 40 GFAB Cc1cc2oc(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)cc(=O)c2cc1C 12191818 LATXRNQKMVZVIW-UHFFFAOYSA-N 389.415 2.562 0 40 GFAB COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c1 12330098 DIXBVXAXHALXCO-UXHICEINSA-N 385.460 2.785 0 40 GFAB COc1cc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OC(C)C 13069738 XHDKNYVYJNCGML-CSKARUKUSA-N 390.461 2.782 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 13626375 SWPILLKACOCUKW-BMQTXXJKSA-N 398.846 2.531 0 40 GFAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1Cl 15656627 NKMGNRIXCQVFGF-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB COc1ccc2cc3c(nc2c1)N(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)CC3 16778456 GKFMRDXTLJXRTD-FCHUYYIVSA-N 395.459 2.759 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19210865 PVFLDTCQRHDXHJ-MSOLQXFVSA-N 394.519 2.946 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(CCOc4cccc(C)c4)C3)ncc2C1 19235187 JMVWQDDTJDHDLO-SFHVURJKSA-N 380.492 2.558 0 40 GFAB Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(C)C)CC2 19237067 DHMATQGMYYVBSO-HXUWFJFHSA-N 394.519 2.751 0 40 GFAB CC(C)Oc1cc(CCC(=O)N2C[C@@H](CN3CCOCC3)c3ccccc32)on1 19450507 FDUNIHHPQPUAOT-QGZVFWFLSA-N 399.491 2.857 0 40 GFAB CCCn1cc(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)c(C)n1 19526030 KWXMKTKBMSWEOR-UHFFFAOYSA-N 379.464 2.858 0 40 GFAB Cc1nc2nc(-c3ccc(NC(=O)CCCN4CCCC4=O)cc3)cn2nc1C 19657401 XJRFKUIUOVRQCL-UHFFFAOYSA-N 392.463 2.749 0 40 GFAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1cc(C3CCCCC3)no1)CC2 19706320 MVHQUUMMJCXAPX-QGZVFWFLSA-N 398.511 2.779 0 40 GFAB CCN(CC)C(=O)CN1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 19706530 WIJYCECJBYZUHR-LJQANCHMSA-N 399.583 2.995 0 40 GFAB CCN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 6416015 UJIZAQIMRZOQNN-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)n1 8053822 MCSBSWVBVAHDNQ-PKNBQFBNSA-N 382.449 2.870 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 8105425 DYGSREHCOLIDJW-PKNBQFBNSA-N 384.432 2.732 0 40 GFAB O=C(COC(=O)/C=C/c1cccs1)NC(=O)c1ccc(OC(F)F)cc1 2662234 TWLMZPBOTHTAQT-BQYQJAHWSA-N 381.356 2.863 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669338 PREUJGNRNDHIOD-UHFFFAOYSA-N 394.479 2.821 0 40 GFAB COCCC(=O)N1CCNC(=O)[C@H](Cc2cccc(-c3ccccc3C)c2)C1 19237459 MCYQVKWSIXYAFL-HXUWFJFHSA-N 380.488 2.816 0 40 GFAB c1nc(C2CCOCC2)cc(N2CCN(c3ncnc4ccsc34)CC2)n1 1888879281 QXUXSESJXISOPW-UHFFFAOYSA-N 382.493 2.702 0 40 GFAB Cc1cc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)ccn1 2037985154 ZGCDUGHGGNZJRE-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB Cn1ccc(CN2CC[C@H](COc3ccc4nc(C(C)(C)C)cn4n3)C2)cc1=O 2087023450 GFKYRFSWIDVEGZ-KRWDZBQOSA-N 395.507 2.626 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1OC 5136774 BZDWLRCKJCPWBJ-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 7314064 LFXJLKRFSHXENV-UHFFFAOYSA-N 376.390 2.542 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1C 12069473 YFIJBVBVBJRVNZ-UHFFFAOYSA-N 394.519 2.570 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19579907 JIGURAQCKUOQDO-OAHLLOKOSA-N 393.447 2.794 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C 30287840 QPASSRDQPBAAPT-UHFFFAOYSA-N 390.505 2.913 0 40 GFAB CNC(=O)c1cccc(CNC(=O)NC2CCN(c3ccccc3OC)CC2)c1 50135387 LRUSJQAMVGYXOV-UHFFFAOYSA-N 396.491 2.523 0 40 GFAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCc1ccc(Cl)cc1Cl 40143500 VABYBGFGKOFGKI-UHFFFAOYSA-N 391.276 2.823 0 40 GFAB CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1324981 QTZOYQMBXZVEKG-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB COc1cccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)c1 1329425 ILGUXWOWSQLHKA-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB CCCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 11565906 XFFVARQRVNWKMD-UHFFFAOYSA-N 382.526 2.875 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CNc3cccc(Br)c3)nnc12 11549213 LUAUANHVZINENP-UHFFFAOYSA-N 384.237 2.956 0 40 GFAB O=S(=O)(c1ccccc1)c1nc(Cc2ccccc2)oc1N1CCOCC1 3037034 VGZZJAYQRGPIME-UHFFFAOYSA-N 384.457 2.935 0 40 GFAB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(OC)c(OC)c2OC)c1 3321273 WGOYVQGMZLHFDF-UHFFFAOYSA-N 390.388 2.769 0 40 GFAB Cc1cc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C)n1C 3568685 XEAYQXRAYOPQQP-UHFFFAOYSA-N 383.853 2.739 0 40 GFAB CCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2ccco2)cc1OCC 4187826 JPGKLCDBWMMDTK-UHFFFAOYSA-N 390.392 2.831 0 40 GFAB Cc1ccc(NC(=O)COc2cccc([C@@H]3CC(=O)Nc4ncnn43)c2)cc1C 6301278 QQJVSGSBJHOIIV-SFHVURJKSA-N 391.431 2.844 0 40 GFAB COc1cccc(-c2nnc3sc(NC(=O)COc4ccccc4)nn23)c1 6818215 FWXUAUNHDUMJSD-UHFFFAOYSA-N 381.417 2.879 0 40 GFAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 6837126 ZAWKYWURUHEIKQ-UHFFFAOYSA-N 392.477 2.708 0 40 GFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 29562061 VMGKIHGQKQFIAD-KUHUBIRLSA-N 395.411 2.835 0 40 GFAB CCOc1cc(CNCCCN2CCOCC2)cc(Br)c1OC 8253591 VZDYZHFLTAGCEE-UHFFFAOYSA-N 387.318 2.668 0 40 GFAB COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 20727622 AAEOMNNLMLXLLL-OAHLLOKOSA-N 377.404 2.784 0 40 GFAB Cc1ccc(OCc2n[nH]c(SCC(=O)NC(=O)NC3CCCC3)n2)cc1 2651638 BSACPBSCYJNJLH-UHFFFAOYSA-N 389.481 2.553 0 40 GFAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@H](C)O1 100135248 ATDHLXQROIJYSZ-ZOBUZTSGSA-N 398.551 2.878 0 40 GFAB Cc1cc2oc(=O)cc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c2cc1O 28571618 ROVPUTKHWZSOSC-GOEBONIOSA-N 378.428 2.588 0 40 GFAB CSc1nnc(C)n1NC(=S)NC(=O)CC12CC3CC(CC(C3)C1)C2 107634851 LOSJVKBQWHYTBR-UHFFFAOYSA-N 379.555 2.860 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc21 25768484 ZQRZCRUKPWZOIU-UHFFFAOYSA-N 377.491 2.596 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnc3ccccc3n2)c1C 22154719 ORAJWKITKFZLBY-GFCCVEGCSA-N 381.388 2.790 0 40 GFAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccncc1 20234283 PWVQKVVSKXTQOC-UHFFFAOYSA-N 399.447 2.732 0 40 GFAB Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1 102915833 MWSIVQBLCOWEOC-UHFFFAOYSA-N 378.409 2.708 0 40 GFAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23847192 KITNIRZVCMSMNG-UHFFFAOYSA-N 390.443 2.559 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 21633111 OABVZLGEXXBIJW-UHFFFAOYSA-N 399.472 2.741 0 40 GFAB Cc1ccc(-c2ccsc2C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 12617483 GJUVCRCCVQYCCI-UHFFFAOYSA-N 383.517 2.760 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1coc(-c2ccccc2)n1 58224100 GQXZKXMPWXHZPV-UHFFFAOYSA-N 390.447 2.688 0 40 GFAB CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 58343886 GKYWZJYJDPIHQN-NSHDSACASA-N 378.947 2.963 0 40 GFAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)CCc1ccccc1 48210811 YNZGYNGXYZCDNH-HNNXBMFYSA-N 376.460 2.820 0 40 GFAB CC(C)(NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)OCO2 58423672 UQHGVPRQPIIVIY-UHFFFAOYSA-N 384.432 2.912 0 40 GFAB O=C(CCNC(=O)NC1CCCCC1)NCc1cn2cc(Cl)ccc2n1 36398157 PXICVSYAJSOZLZ-UHFFFAOYSA-N 377.876 2.626 0 40 GFAB CC(C)c1ccccc1NC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 3480177 VDOWSLJNGDCLIK-CQSZACIVSA-N 394.427 2.976 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2ccccc2)=N1 408992521 TVHMUOIBXYGMTG-SFHVURJKSA-N 380.473 2.818 0 40 GFAB CCNC(=O)[C@H](C)NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 13006201 AOMXSCQVBGLOSK-AWEZNQCLSA-N 378.432 2.966 0 40 GFAB CC(C)CNCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 6023246 PDGVIBBLGORWGP-UHFFFAOYSA-N 387.933 2.699 0 40 GFAB Cc1cc(C)n2c(SCc3nc(N)nc(Nc4ccccc4C)n3)nnc2n1 6039946 CNUAXGQNKCHQDR-UHFFFAOYSA-N 393.480 2.853 0 40 GFAB COc1ccc(C2=NO[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)C2)cc1 5029240 CAJUQMFQWBGQAY-HXUWFJFHSA-N 384.432 2.564 0 40 GFAB biogenic CC(C)OC(=O)c1ccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)cc1 13735168 GZDUHWDPMLNINK-HKUYNNGSSA-N 389.473 2.531 0 40 GFAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccc(Cl)cc1 4352022 FWZNPIKRSCAXSR-UHFFFAOYSA-N 386.791 2.789 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C(N)=O)cc1OC 69005115 MMGUTJNHEYZLHB-UHFFFAOYSA-N 378.450 2.727 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 13984365 HZXUHAISBCTGDF-UHFFFAOYSA-N 382.445 2.646 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cc(OC)ccc1OC 8232767 ZLQLBIVSGAWTGF-HNNXBMFYSA-N 393.461 2.554 0 40 GFAB COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC 113948734 XJRFGDRYKPXXFH-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB COc1ccc([C@@H]2C/C(=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)NN2)cc1 16973590 ZGDRNQKSMWKNHO-QCPHZMBFSA-N 392.415 2.607 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N=c3[nH]c4ccccc4[nH]3)c(=O)oc2c1 6665353 GIZQCPSZFTWARG-UHFFFAOYSA-N 377.400 2.980 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1 6811050 GTKIKYXZQCHGJY-QGZVFWFLSA-N 391.464 2.729 0 40 GFAB Cc1cc(N2CCNC(=O)C[C@@H]2c2ccccc2)n2nc(C(F)(F)F)nc2n1 71186411 CWBBTJNWKSRQCW-CYBMUJFWSA-N 390.369 2.519 0 40 GFAB CC[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1nnc2n1CCCCC2 72275156 ZMCCUCQGQMCKAA-HNNXBMFYSA-N 387.484 2.972 0 40 GFAB CN(Cc1cnn(-c2ccccc2)n1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 97020602 QMWTWYBOIMWVSR-KRWDZBQOSA-N 388.880 2.881 0 40 GFAB O=C(NCCc1nc2c(s1)CCCC2)c1ccc(Cn2ccccc2=O)o1 84606413 YRNUKSHFCZCLQH-UHFFFAOYSA-N 383.473 2.797 0 40 GFAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C)CO)c1 84640021 OCBZLFNAZQUJJC-OAHLLOKOSA-N 395.459 2.915 0 40 GFAB NC(=O)C1CCN(c2nc(Cl)nc3c2cnn3-c2ccc(Cl)cc2)CC1 67172374 GQCFQHJEIOEHRQ-UHFFFAOYSA-N 391.262 2.824 0 40 GFAB COc1cc2c(cc1F)CC[C@@H]2NS(=O)(=O)c1ccc2c(c1)OCCO2 510615906 PBULROJVBISAPU-HNNXBMFYSA-N 379.409 2.571 0 40 GFAB CCc1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CCCc4nn(C)cc43)CC2)o1 512819992 FSTABIMGGDIODQ-QGZVFWFLSA-N 384.480 2.622 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 216490053 RKLCTTYEXRVDHH-UHFFFAOYSA-N 387.461 2.827 0 40 GFAB COC[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218539264 XUSSLGPJXZAMDG-ZIFCJYIRSA-N 378.421 2.791 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCN(C)CC2)cc1 223584940 GYWYAWQFPBEZHP-RGEXLXHISA-N 399.516 2.738 0 40 GFAB Cc1cc(Br)cc(C)c1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 137101601 RSAOXPKCAIFZMO-WDEREUQCSA-N 375.313 2.720 0 40 GFAB COc1ccc(-c2noc(CNC(=O)CCc3ccc4c(c3)OCCO4)n2)cc1 222646757 TUIGKHZYZYHKQE-UHFFFAOYSA-N 395.415 2.765 0 40 GFAB C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(S(C)(=O)=O)cc1 44857169 HSPNALJMZPAWQQ-HNNXBMFYSA-N 383.473 2.826 0 40 GFAB O=S1(=O)NCC2(CCN(Cc3ccccc3F)CC2)COc2ccccc21 96263458 FQLPTRWOHZIYEI-UHFFFAOYSA-N 390.480 2.779 0 40 GFAB C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3nccs3)C2)C1)c1ccccc1 96225714 WMYCXZSQQJFMNJ-YWZLYKJASA-N 384.505 2.784 0 40 GFAB COCCn1cc(CC(=O)N[C@@H](C)c2nnc3ccccn23)c2ccccc21 95480961 IBXQAFUCOLFGHD-HNNXBMFYSA-N 377.448 2.750 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1cccc(OC)c1 257222672 DUGVLBGEZPWFOR-APWZRJJASA-N 387.505 2.810 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 257204257 ATSPNJYHGGRMPU-BZSNNMDCSA-N 399.539 2.514 0 40 GFAB CCCn1/c(=N\C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n(CC)c2ccccc21 585079454 GTMRCVHXYQLABU-ANZZGNCFSA-N 382.508 2.949 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)Nc2ccc3ccc(=O)n(C)c3c2)cn1 666903754 PMDZHBAKXRVPDS-XLIONFOSSA-N 395.463 2.968 0 40 GFAB CCc1cc(CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)on1 607378694 LDZBNLLDUZPKML-UHFFFAOYSA-N 388.443 2.614 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1 96104382 ZRBXZEZVCNPPJG-UHFFFAOYSA-N 391.942 2.769 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN2C(=O)/C=C/c2cnc[nH]2)n1 585291189 LLRNVOGFYPUJEI-RTRPANQVSA-N 375.436 2.942 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)NC(C)(C)c2ccc3c(c2)OCO3)C1=O 65521318 GFFIVJRITFGQDN-CQSZACIVSA-N 396.443 2.971 0 40 GFAB CC1(C)CC(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC(C)(C)N1 65627866 BMVDEDCEZJDRKZ-INIZCTEOSA-N 377.554 2.707 0 40 GFAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cccnc4)CC3)n2)cc1 36837794 BDFWWMTWXZRLEF-MRXNPFEDSA-N 377.448 2.959 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615123425 GANDSWFVONOIQN-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC4=C(O)C[C@H](C[C@@H](O)[C@@H](C)[C@H]3C=C[C@@H]21)OC4=O 1772591917 UWWREIQRGHNEAS-BLEFNHKISA-N 390.476 2.911 0 40 GFAB COc1ccc(CC(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)cc1 12129259 MVLXSJJSLGZQAZ-UHFFFAOYSA-N 393.443 2.918 0 40 GFAB Cc1nc2sc3c(c2c2nn(CC(=O)N4CCCCC4)c(=O)n12)CC[C@H](C)C3 12132270 DNJXLUKEYFILET-LBPRGKRZSA-N 399.520 2.551 0 40 GFAB Cc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1)[C@H](CN(C)C)CO2 12406661 LISXOTHQHKVYLZ-QGZVFWFLSA-N 378.469 2.648 0 40 GFAB CCN(c1ccc(OCC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 13585002 IQFVJUYNQZFWCZ-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13675968 FUDFWSLLZIDVCT-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2)cc1C 16692309 AEQMMVKQDDZYIJ-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc(C)cc3)ncc2C1 19209608 PRWUZNWMWYZCDR-HXUWFJFHSA-N 378.476 2.596 0 40 GFAB Cn1ccnc1-c1nc(NCCCN2CCOCC2)ncc1-c1ccc(F)cc1 19291659 UWHNCYBOZPJVHG-UHFFFAOYSA-N 396.470 2.817 0 40 GFAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)[C@@H]4CCOC4)CC3)ccc2n1 1888853910 UBKINTNTKQWNHS-MRXNPFEDSA-N 386.496 2.681 0 40 GFAB COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc1F 1888890121 TURWCCIGVRPZGG-HZPDHXFCSA-N 396.466 2.630 0 40 GFAB C[C@@H](OC(=O)CCc1ccc(S(N)(=O)=O)cc1)C(=O)c1cccc(Cl)c1 18336838 YACFZLYZUHMWOF-GFCCVEGCSA-N 395.864 2.735 0 40 GFAB O=C(CN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1)CC2)N1CCCC1 1614940687 ULQIQKGRGZDCIH-QFIPXVFZSA-N 387.499 2.795 0 40 GFAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)C2CC(F)(F)C2)CC1 2055732579 QEJGLAUQTSIIRD-UHFFFAOYSA-N 383.414 2.732 0 40 GFAB Cn1c(CN2CCN(C(=O)c3ccc4nsnc4c3)CC2)nc2ccccc21 44213634 SOALTPZDKSYVHC-UHFFFAOYSA-N 392.488 2.536 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 49400705 JPCSXTLKTHIHSQ-UHFFFAOYSA-N 388.471 2.749 0 40 GFAB O=C(CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1ccc(F)cc1 2298117638 QGZXUFIGCUQVCZ-CQSZACIVSA-N 383.414 2.734 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1ccc(OC(F)(F)F)cc1 77099475 PSDFGKMRWJSTFJ-OAHLLOKOSA-N 391.367 2.754 0 40 GFAB Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)NCCCn2ccnc2)cc1 1752932 RXTPMJGZBGMPPG-XSFVSMFZSA-N 389.459 2.564 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C2=O 40039821 XENLBVNYQMIUMU-ZHRONYKTSA-N 389.418 2.724 0 40 GFAB COc1ccc(CN(C(=O)Cn2cnc3ccc(C)cc3c2=O)C2CC2)cc1 40117000 OEVRCNIGUOAHLO-UHFFFAOYSA-N 377.444 2.905 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NCCCN(C)c2ccccc2)CC1=O 40160087 BPVIOFVMZDSMSM-KRWDZBQOSA-N 381.476 2.691 0 40 GFAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccnc1N1CCOCC1 31327208 SQKFCSMEPRZBAA-UHFFFAOYSA-N 379.382 2.796 0 40 GFAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 11210144 OEVKCDHHBVZMJS-UONOGXRCSA-N 377.462 2.743 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(OC)ccc1OC 1212341 SAICNNQHVVEXDS-MRXNPFEDSA-N 376.434 2.527 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccs1)SCC(=O)N2 31809890 JJYJOBUOFSNBBU-ZDUSSCGKSA-N 383.462 2.683 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@H](C)n2c(=S)[nH]c3ccccc3c2=O)n1 32194429 FXDHFAZCOXIHKN-AWEZNQCLSA-N 385.493 2.640 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 11719136 DUMONMXHUPMVQZ-UHFFFAOYSA-N 398.488 2.575 0 40 GFAB CN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1 6681054 FLWCZRHKLFBDSE-UHFFFAOYSA-N 391.474 2.852 0 40 GFAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccccc1Br 6962200 RDQVXGPGRDYUEP-JYRVWZFOSA-N 387.237 2.959 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 7940156 RQQIGLHJVCLJPK-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB Cc1cccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)c1C 21024074 WRFADQHTQWIMPK-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB COc1cc(C)ccc1OC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 21304730 DHBDSTADEBNGLV-UHFFFAOYSA-N 379.796 2.749 0 40 GFAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 8433783 QTCKFWVSHDRZQC-GDBMZVCRSA-N 384.407 2.599 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 8434674 SLAJOFKBNXFTHC-UHFFFAOYSA-N 389.205 2.692 0 40 GFAB COc1ccc(C(=O)N[C@@H](C(=O)OCc2nnsc2Cl)C(C)C)cc1 32774416 VEYQWXSTGVKWQH-CYBMUJFWSA-N 383.857 2.698 0 40 GFAB Cc1cc(N2CCN([C@@H](C)c3nc(Cc4ccccc4)no3)CC2)nc(C)n1 32825088 RPVRUSWTQKCTER-INIZCTEOSA-N 378.480 2.950 0 40 GFAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cnc(N(C)C)nc2)C3)cc1 100766794 VKAVXIZDPXYJMJ-RTBURBONSA-N 382.508 2.671 0 40 GFAB CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)N4CCCN4[C@H]3C2=O)cc1 102711023 HNVIFFAQTNUKSF-XUVXKRRUSA-N 379.435 2.924 0 40 GFAB O=S(=O)(c1ccc(N2CCC[C@H]2c2cccs2)nc1)N1CCOCC1 21866151 ADIWCCVZZWZFLO-HNNXBMFYSA-N 379.507 2.506 0 40 GFAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 22200853 DZHXSDGROTXKRH-UHFFFAOYSA-N 387.864 2.590 0 40 GFAB Cn1nc(C(C)(C)C)cc1NC(=O)CN(Cc1ccccc1)[C@H](CO)C1CC1 89694665 ZYDQFAMHGFZFBN-GOSISDBHSA-N 384.524 2.929 0 40 GFAB NC(=O)COc1ccc(/C=C/C(=O)NCc2cc(-c3ccccc3)no2)cc1 57379224 MQUIWBYJSXANFF-DHZHZOJOSA-N 377.400 2.535 0 40 GFAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 23197448 KYCZMENWYDLUMP-FLWSCSCYSA-N 386.496 2.574 0 40 GFAB CCCOc1ccccc1NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 25808920 GVRVGBMYYROEMU-GOSISDBHSA-N 395.459 2.967 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2csc(C)n2)cc1 24041241 DKJWQRFFKQGCMR-CYBMUJFWSA-N 395.550 2.902 0 40 GFAB CN(Cc1cnn(C)c1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 24482611 YRWHGZYCKIENKV-UHFFFAOYSA-N 395.912 2.819 0 40 GFAB CCOc1ccc(CNC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1F 106257916 CEECRIDGBDOMLE-UHFFFAOYSA-N 389.427 2.921 0 40 GFAB Cc1nc(-c2cccc(NC(=O)CN3CCN(c4ncccn4)CC3)c2)cs1 89712651 VGWPMJSVMGUDDA-UHFFFAOYSA-N 394.504 2.669 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)NC(=O)CCS2)Nc1ccc(F)c(F)c1 22976256 OHXMOKCKYFCRSO-UHFFFAOYSA-N 391.399 2.768 0 40 GFAB CCOc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)n1 55320985 LUVYJYDCLJOSIN-UHFFFAOYSA-N 377.828 2.633 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](NC(=O)c1ccccc1F)C(C)C 25179752 ZQILTINEPLTERE-LJQANCHMSA-N 398.434 2.956 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C(=O)[C@@H]2C)cc1 3263139 KTKTVWWPPOJKRU-AWEZNQCLSA-N 395.415 2.562 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2)cc1 408619286 HBPXNFCXKRNCGU-UHFFFAOYSA-N 390.505 2.801 0 40 GFAB C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1 10207903 JXPVVHWIANUQKJ-LBPRGKRZSA-N 397.447 2.776 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c1 2155498 WGKJDQCIWZRJNI-INIZCTEOSA-N 375.421 2.658 0 40 GFAB biogenic Cc1ccc(Br)cc1NC(=O)CCNc1ncnc2[nH]cnc12 58245330 YMINRIREKQQOLC-UHFFFAOYSA-N 375.230 2.865 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc1 2264203 JNBGFNGPKJVJLU-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB O=C(CSc1nc(-c2ccccc2)cs1)NCCN1C(=O)CSC1=O 3348172 KHQGMDFPPMVLJD-UHFFFAOYSA-N 393.515 2.714 0 40 GFAB CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccccc1OC)C(F)(F)F 2323071 JSAIIBOELHGDFJ-MRXNPFEDSA-N 386.326 2.952 0 40 GFAB CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1ccc(F)cc1)C(F)(F)F 2317331 LMPUFCHXWZUTOC-MRXNPFEDSA-N 385.317 2.884 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2c2ccsc2)cc1 48237682 RYDLTVLDWGXNMJ-GUYCJALGSA-N 394.518 2.787 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCC([C@H](O)c2ccccc2)CC1 48261128 GBSXQXVLPCAOAG-WIYYLYMNSA-N 382.460 2.982 0 40 GFAB Cc1nc2ccccc2nc1CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 48235027 LVUVUXZFSPUJJS-GFCCVEGCSA-N 390.490 2.591 0 40 GFAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 48310040 TUVOIGSYVATPBF-HNNXBMFYSA-N 389.927 2.573 0 40 GFAB NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 12993040 NNRWXLDHNYYAQT-HNNXBMFYSA-N 387.486 2.921 0 40 GFAB CC(C)c1n[nH]c(C(=O)NC[C@@]2(O)CCc3ccccc32)c1Br 89891124 MZZCYCGGNSOBKG-KRWDZBQOSA-N 378.270 2.859 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccco4)C3=O)c2C)no1 8325709 OLADBFJTLGYWHE-FQEVSTJZSA-N 396.403 2.633 0 40 GFAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3)n2C)s1 13568956 DNQMJHMSGPCMOS-JTQLQIEISA-N 390.494 2.673 0 40 GFAB COc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)c(OC)c1OC 6230254 TYQJZOZOLRNQLK-UHFFFAOYSA-N 385.416 2.849 0 40 GFAB Cc1cccc(OCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 5229171 WGYMTEKRQNJXOX-UHFFFAOYSA-N 394.518 2.582 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 30501548 RCODHVIMEIKRPA-CYBMUJFWSA-N 383.491 2.528 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(N)=O 6471303 JAYWKQZZSHFXLK-UHFFFAOYSA-N 399.266 2.748 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 14184707 PTAPBAXHSRFIMF-HNNXBMFYSA-N 384.432 2.865 0 40 GFAB COc1ccc(NC(=O)c2ccccc2NC(=O)CNC[C@H]2CCCO2)cc1 6566488 XFEMIARKVJDRSB-QGZVFWFLSA-N 383.448 2.655 0 40 GFAB COc1ccc([C@H]2N(C(C)=O)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 4778663 IGLAAPAYJOHPDN-FQEVSTJZSA-N 388.489 2.945 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 14793156 CZFSJMXYIKIZRD-QGZVFWFLSA-N 395.459 2.683 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1 5867735 MATBLBWTBJRJOJ-UHFFFAOYSA-N 376.438 2.573 0 40 GFAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCCC4)ccn3n2)cc1 67262458 XDCCRNIYXYNVJO-UHFFFAOYSA-N 394.475 2.964 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCCSCc3ccccc3F)ccc2N1 7688909 JDHUXSFNDRLUNU-UHFFFAOYSA-N 394.493 2.922 0 40 GFAB C[C@@H](SCCOc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 9690748 QHNJQVFSMROBIW-GDBMZVCRSA-N 399.578 2.788 0 40 GFAB C[C@H](CONS(=O)(=O)c1ccc2ccccc2c1)NC(=O)OC(C)(C)C 96008983 FDKBLBMJUOFAQH-CYBMUJFWSA-N 380.466 2.963 0 40 GFAB CCC[C@@H](C)NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063983 SJOVEGQEMQXOHS-LLVKDONJSA-N 382.482 2.519 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCC(=O)c2cccs2)c1 23111639 MPNAOUFLDFJPBT-UHFFFAOYSA-N 394.518 2.714 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCOc3ccc(C)cc32)cc1OC 72330816 CBECJBQKGKPMAO-RMKNXTFCSA-N 397.427 2.994 0 40 GFAB O=C(CN1CCCS1(=O)=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 84522620 QTOFUEQWDFYPQO-HXUWFJFHSA-N 384.457 2.674 0 40 GFAB O=C(NCCOc1ccc2ccccc2c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 84605986 DGJJONOTRHLXRW-HNNXBMFYSA-N 380.366 2.746 0 40 GFAB COc1ccc([C@H](C)NC(=O)CNC(=O)CC(C)(C)C)cc1Cn1cccn1 84647799 JGQBBAJJPRWZRS-HNNXBMFYSA-N 386.496 2.670 0 40 GFAB Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1 95837050 HWGQMRYQVZSGDQ-CVEARBPZSA-N 380.358 2.629 0 40 GFAB in-vitro Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCN(c3ccccn3)CC2)C(C)C)cc1 95940503 IYMDEXMQZWXIBX-OAQYLSRUSA-N 394.519 2.883 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408561179 HABDGXUCIAOROP-INIZCTEOSA-N 382.526 2.853 0 40 GFAB COc1ccc(OC)c2c1cc(C(=O)N1CCN(c3ccccn3)CC1)n2C 72402052 SNMDTVGEILOYQW-UHFFFAOYSA-N 380.448 2.553 0 40 GFAB CN(C)c1cccc(C(=O)NCc2nn(C)c3sc(C(=O)NC4CC4)cc23)c1 306126639 FARGDEAMFDCUDC-UHFFFAOYSA-N 397.504 2.523 0 40 GFAB O=C(CCc1nc(-c2cccs2)no1)NCCc1ccc2c(c1)OCCO2 39994170 LRUIRDCOOAVTIT-UHFFFAOYSA-N 385.445 2.861 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 11865544 ZZUQVRYNXNEOCB-ZKANADHPSA-N 381.812 2.618 0 40 GFAB biogenic Cc1ccc(C2=N[C@@](NC(=O)c3ccccc3F)(C(F)(F)F)C(=O)N2)cc1 4615327 BSJZFOUZTRIWHH-KRWDZBQOSA-N 379.313 2.699 0 40 GFAB CCOC(=O)c1s/c(=N\c2ccccc2)n(CCN2CCOCC2)c1C 4614473 NNKWYALWYMFCCR-VXPUYCOJSA-N 375.494 2.599 0 40 GFAB CC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 35268829 MDXDRWAFAXKGRI-FQEVSTJZSA-N 399.466 2.766 0 40 GFAB COC(=O)C[C@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1cccs1 32900554 MIHMDWOHFPOKBL-AWEZNQCLSA-N 388.424 2.811 0 40 GFAB O=C(CCc1ccccc1Br)N1CCN(c2nccs2)C(=O)C1 1565522243 FCJYNKWJCPMXRF-UHFFFAOYSA-N 394.294 2.714 0 40 GFAB O=C(C[C@@H](CN1CCN(c2ccccc2)CC1)C(=O)O)Nc1ccccc1F 71283460 KMYZGPQUKIINSU-INIZCTEOSA-N 385.439 2.677 0 40 GFAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224598525 IDIZQLNGUHICFT-UHFFFAOYSA-N 384.483 2.722 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cccc(C)c2C)NS(C)(=O)=O)cc1 225955242 SPMCHYODALVIDF-SFHVURJKSA-N 376.478 2.931 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CC(n2cc(COc3ccccc3)nn2)C1 225626251 LXIPAXKIFUQGOR-UHFFFAOYSA-N 392.444 2.559 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1C 527821602 PFRCNQFZGFILFB-UHFFFAOYSA-N 381.432 2.678 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225485109 ZOASWQLRSDSMAU-JOQOYGCGSA-N 380.485 2.531 0 40 GFAB O=C(NCCCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225541277 XLHLWEYRZOZEKG-OAHLLOKOSA-N 394.468 2.568 0 40 GFAB CCOc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222481810 VXXVUOQKDYQWKO-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB C[C@H](CC(=O)O)CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 581141754 BUKCUFHTEOWPMB-NSHDSACASA-N 387.263 2.779 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1ccco1)N1CCOCC1 77200673 IVJJQDYMTBEXDK-IBGZPJMESA-N 398.438 2.623 0 40 GFAB COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)nc2ccccn2c1=O 96115473 YRDGDAABZYHNBZ-HNNXBMFYSA-N 378.384 2.523 0 40 GFAB biogenic O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)[C@@H]1COc2ccccc2O1 96121552 OEJUWACKVHEPCV-INIZCTEOSA-N 395.381 2.737 0 40 GFAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1 95475229 BYXHYKGRMMATDC-MRXNPFEDSA-N 375.450 2.961 0 40 GFAB COc1cccc(-c2cncc([C@H]3CN(CC(=O)N4CCCCC4)CCO3)n2)c1 257328113 XEFKFQCVJAQHIC-OAQYLSRUSA-N 396.491 2.538 0 40 GFAB COCc1ncsc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 585080952 FCPDBXVBRLXZAZ-GFCCVEGCSA-N 393.484 2.881 0 40 GFAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@H]([C@H]4CCCCO4)C3)nn2)cc1 660873551 VENSUAGCJIOCJA-OXJNMPFZSA-N 399.495 2.767 0 40 GFAB COc1cccc(CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)c1Cl 664069788 ZSAKFWCZHBMQEH-CALCHBBNSA-N 384.863 2.966 0 40 GFAB Cn1ncc(C(F)(F)F)c1CNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 628356535 ONKRNTQUVOMVAW-OAHLLOKOSA-N 384.377 2.859 0 40 GFAB O=C(CCN1CCCCCC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615122416 PFOWUUYDMNEIHS-UHFFFAOYSA-N 399.535 2.677 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12116146 ABCFLMJNACOXJY-IBGZPJMESA-N 387.447 2.835 0 40 GFAB COc1ccc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)[nH]c2c1 12184025 WYAHSDICZVGXTF-UHFFFAOYSA-N 388.427 2.585 0 40 GFAB CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)CC(C)(C)C)[C@@]21C 19450035 OJMSGCIOZLXSQC-GSHUGGBRSA-N 398.507 2.672 0 40 GFAB O=C(N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1)C1(c2ccccc2)CC1 1888885398 FCDXGNJBGIDGIK-UHFFFAOYSA-N 382.439 2.579 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 26310114 ACNJLAFTLRYHJV-AWEZNQCLSA-N 393.509 2.949 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3ccco3)nc2)cc1 238953298 XJXOSRXYOSZGFF-UHFFFAOYSA-N 385.445 2.522 0 40 GFAB CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 4165980 GQBQQOPFFVCTFY-UHFFFAOYSA-N 391.406 2.922 0 40 GFAB O=C(NCCc1ccccc1)c1csc(NS(=O)(=O)c2cccs2)n1 11693224 ISMIQKQNVWPYBN-UHFFFAOYSA-N 393.515 2.978 0 40 GFAB C[C@H]1CN(C(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)C[C@@H](C)O1 16819061 JPMMYNVEMUDENK-IYBDPMFKSA-N 377.444 2.694 0 40 GFAB CCn1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2C)c1=O 23136305 WDIJQUGQKHZJJQ-UHFFFAOYSA-N 387.440 2.534 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@](O)(c2cccs2)C2CC2)cc1 206700819 CHLCGRUUQRLHLO-QGZVFWFLSA-N 396.490 2.503 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)s1 38488288 KYBMKPUBTDXANI-UHFFFAOYSA-N 390.534 2.693 0 40 GFAB O=C([C@@H]1COc2ccccc2C1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575615120 BLCZKONCMBYPCC-ICSRJNTNSA-N 385.485 2.626 0 40 GFAB CCN1C[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)CC1=O 19526974 SGVPGSRUIGDLSW-LYSIVYOWSA-N 387.499 2.521 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)N3CCC4(CC3)OCCO4)cc2)C[C@@H](C)O1 50081288 DOWBAGYAQAOLGR-HZPDHXFCSA-N 375.469 2.671 0 40 GFAB Oc1noc2c(I)cc(I)cc12 1857794806 KYEFBJNLQTXJCE-UHFFFAOYSA-N 386.914 2.743 0 40 GFAB O=S(=O)(NC[C@H]1COc2ccccc2O1)c1ccc(Br)cc1 28914328 ZBTXZOAKKBERJQ-LBPRGKRZSA-N 384.251 2.567 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O)c1ccc(F)cc1 3596660 VYFAPTQOKJNWCX-RDTXWAMCSA-N 383.423 2.556 0 40 GFAB Cc1ccc(NC(=O)COc2ccc([C@@H]3CC(=O)Nc4ncnn43)cc2)cc1C 6205673 BFPSKEJFXIOJKS-SFHVURJKSA-N 391.431 2.844 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32319947 CYMNEERPLXBWTK-CQSZACIVSA-N 383.473 2.559 0 40 GFAB COc1cc(CC(=O)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC 2651332 BDFQFPFUQXJRPY-UHFFFAOYSA-N 388.439 2.743 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)NCc1cccc(NC(=O)C2CC2)c1 32862790 JBNSRHHDQRGHMO-UHFFFAOYSA-N 395.459 2.848 0 40 GFAB COc1cccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1 8412413 JFZWWIXNCPCCKM-UHFFFAOYSA-N 396.321 2.992 0 40 GFAB CN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 52559220 IFFQSZNVSIMOPX-GOEBONIOSA-N 395.345 2.669 0 40 GFAB CC(=O)OC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 2674109 AVMIIKLVEDAPFQ-DISONHOPSA-N 382.453 2.795 0 40 GFAB biogenic CCCn1c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc2ccccc21 102914378 MTXWGQKPFHMGDA-HUUCEWRRSA-N 380.448 2.726 0 40 GFAB O=C1C(=O)N(CN2CCN(Cc3ccccc3)CC2)c2c(F)ccc(Cl)c21 26551827 KWQGQAXXLMPJAK-UHFFFAOYSA-N 387.842 2.784 0 40 GFAB O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCOCC1 980820 BYTZZQQDCBSUMS-QFIPXVFZSA-N 396.512 2.976 0 40 GFAB COC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3ccc(OC)cc3)C2=O)cc1 938512 SHFCWZATNHLLAT-UHFFFAOYSA-N 386.791 2.918 0 40 GFAB Cc1sc2ncn(CC(=O)NCCO[C@@H]3CCCC[C@@H]3C)c(=O)c2c1C 47188669 CDSMVPLCNMVQNB-SWLSCSKDSA-N 377.510 2.786 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4o3)CC2)c1 23866446 XNDGVDXOWWOQGS-UHFFFAOYSA-N 385.489 2.951 0 40 GFAB CCCCn1c(O)nnc1S(=O)(=O)Cc1csc(Br)c1 105525209 KNWSQAQQQDFVBQ-UHFFFAOYSA-N 380.289 2.582 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(OC)c(C)c(OC)c2)c1 24832566 OKXVIELUOCFMMZ-UHFFFAOYSA-N 387.388 2.838 0 40 GFAB O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[C@H]1CC(=O)N(C2CC2)C1 56274346 POTUJNMUIPSQJS-WFASDCNBSA-N 378.856 2.847 0 40 GFAB Cc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 22327755 UGLRPNTVRHXITB-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB N=C(NC1=N[C@H](CC(=O)Nc2ccc(F)c(F)c2)C(O)=N1)Nc1ccccc1 22607388 FSEDCOMRMBTFFL-CQSZACIVSA-N 386.362 2.625 0 40 GFAB COc1ccc(/C=C/c2nc3s/c(=C\c4cccc(OC)c4)c(=O)n3n2)cc1 27022224 VYVQLKAXZCJFCB-XASRFGTQSA-N 391.452 2.886 0 40 GFAB CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 3237269 NWEALRYZWCNWHF-UHFFFAOYSA-N 382.869 2.680 0 40 GFAB CN(C)CCCN(CCCN(C)C)Cn1nc(-c2ccccc2)n(C)c1=S 3262236 APPZFSSJPQRCKP-UHFFFAOYSA-N 390.601 2.781 0 40 GFAB Cc1nnc2ccc(SCC(=O)Nc3cccc(Br)c3)nn12 44890205 XSGMHXXMAPAAFE-UHFFFAOYSA-N 378.255 2.926 0 40 GFAB CC(=O)N[C@H]1CCCN(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)C1 58246329 DIQZLGBDCLERKG-NRFANRHFSA-N 377.488 2.990 0 40 GFAB Cc1noc(C)c1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 12687035 AIPJXNGKTQPKLG-UHFFFAOYSA-N 389.477 2.669 0 40 GFAB CN1CC(=O)N(CCCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1=O 8127892 CZXKRFQNGMEVQW-UHFFFAOYSA-N 397.460 2.676 0 40 GFAB CN(C)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 36391761 RRGMVYOYUOZPSH-UHFFFAOYSA-N 399.875 2.571 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)Cn3ccnc3)CCCC2)cc1C 48128939 NAOQQRQLUUWGOA-KRWDZBQOSA-N 389.521 2.791 0 40 GFAB COc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1 3322488 QYENYZKIALVBNS-UHFFFAOYSA-N 382.507 2.867 0 40 GFAB NC(=O)Cc1csc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1 10999995 YXUGYOZQJMHSLT-UHFFFAOYSA-N 393.428 2.869 0 40 GFAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 3453854 LZQFJVCRGHDOQL-LJQANCHMSA-N 398.507 2.771 0 40 GFAB Cc1cc2nnc(SCC(=O)NC(=O)NCc3ccco3)n2c2ccccc12 3495974 IFECPUASWUDNHY-UHFFFAOYSA-N 395.444 2.902 0 40 GFAB Cc1nc2c3ccccc3nc(SCc3cc(=O)n4ccsc4n3)n2n1 13229004 XISAFPNHNGSLRV-UHFFFAOYSA-N 380.458 2.948 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccc2O)N1Cc1cccnc1 13725895 RLCLRDFXSYKCAR-WIYYLYMNSA-N 396.468 2.636 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1=O 4308583 WHISVUQPWXWRJH-PJSUUKDQSA-N 375.444 2.772 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)Nc1cccnc1 6238591 ZEONPXHQULSFQV-INIZCTEOSA-N 393.534 2.737 0 40 GFAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc2c(c1)OCCO2 6508818 ZUNDNAOLOYTNJK-UHFFFAOYSA-N 381.417 2.713 0 40 GFAB COC(=O)C(C)(C)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 6614994 BJVASJOYGVYUKJ-UHFFFAOYSA-N 393.305 2.954 0 40 GFAB CCCN1CCN(C(=O)CSc2nnc(COc3ccccc3C)o2)CC1 22873661 WRTGXFVDOIPTBT-UHFFFAOYSA-N 390.509 2.603 0 40 GFAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nncs2)n1C 4816343 QVVDZQHJFZCKBJ-UHFFFAOYSA-N 390.494 2.593 0 40 GFAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 4863374 DFQGOJRTPHOOJY-UHFFFAOYSA-N 378.763 2.755 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n1 14900855 GZMRSBUWMLPMIW-CYBMUJFWSA-N 387.461 2.778 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(C)(C)C)c1 5846255 NDQKQVMQVICBSO-UHFFFAOYSA-N 397.541 2.538 0 40 GFAB COCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209054 BRTVEFNONIPPTK-UHFFFAOYSA-N 389.502 2.610 0 40 GFAB Cc1c(NS(=O)(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 7052112 KSGIHBYWKUMTOT-UHFFFAOYSA-N 377.853 2.939 0 40 GFAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 7054776 CXLVNAZQNSOUFE-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB O=C1C[C@@H](c2ccc(Cl)cc2)N2N=C(NC(=O)CCc3ccccc3)NC2=N1 18202269 FALZFTDAIQGTOG-INIZCTEOSA-N 395.850 2.593 0 40 GFAB CCN1C(=O)C2(c3ccccc31)N1CC3(C(C)C)CN2CC(C(C)C)(C1)C3=O 19323157 SHCAAVZOQKWMHY-UHFFFAOYSA-N 381.520 2.705 0 40 GFAB biogenic CN(C(=O)c1ccccc1NC(=O)c1nccnc1C(=O)O)c1ccccc1 71284119 WXIBZCXRIICQHO-UHFFFAOYSA-N 376.372 2.704 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1C 9376486 KLFXSXGJXJZXIB-UHFFFAOYSA-N 399.476 2.923 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nc(Cl)nc3nc[nH]c23)c1 9421607 AKNIDCICZKMXRV-UHFFFAOYSA-N 379.829 2.754 0 40 GFAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 71892827 LWKQOYKQNAJTCN-GFCCVEGCSA-N 394.855 2.605 0 40 GFAB Cc1ccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F 84183228 QUKPVCSSHBCYPG-HNAYVOBHSA-N 378.394 2.836 0 40 GFAB O=C(CCC1CCCC1)NCC(=O)Nc1ccccc1N1CCC(CO)CC1 84506037 VCLVKUGPYQBYMX-UHFFFAOYSA-N 387.524 2.920 0 40 GFAB O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@]2(O)CCCC[C@H]2C1 95421494 VISKTPKFJIXYHX-SCLBCKFNSA-N 396.281 2.988 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2cccc(O)c2)CC1 95429489 LULTZSWQBATPSC-GOSISDBHSA-N 383.473 2.544 0 40 GFAB COC(=O)N1CC[C@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 78878584 XJZSIMGMGIKVLD-QMMMGPOBSA-N 381.643 2.983 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3cccc(C)n3)C[C@H]2C)c(OC)c1 78813388 SIHYZSBDJMYCGN-MRXNPFEDSA-N 384.480 2.828 0 40 GFAB O=c1ccnc2sc(N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)nn12 95993066 XKBOKNOOROAXAU-CYBMUJFWSA-N 385.497 2.701 0 40 GFAB C/C=C/CS(=O)(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 79061124 DFQIKXFBVFUVJA-ITDFMYJTSA-N 376.272 2.549 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc(OC)c(O)c2)CC1=O 79109841 SPUZJNPKCLYWQW-MRXNPFEDSA-N 398.459 2.811 0 40 GFAB COc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@]2(O)C(F)(F)F)cc1 409356339 MKDLUQIJMNALEQ-YLVFBTJISA-N 386.370 2.959 0 40 GFAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408596790 SFPDCCFHBYFOTE-RYUDHWBXSA-N 376.906 2.710 0 40 GFAB Cc1cc(CCNC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)ccc1Cl 514766436 GLLJPUHOLKWLQH-QGZVFWFLSA-N 375.904 2.623 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349709 WIEQRSXVTXTXMQ-IBGZPJMESA-N 397.494 2.850 0 40 GFAB COc1ccc(Br)cc1/C=C/C(=O)Nn1c(C)nnc1SC 33722934 ARKGUOPVYBOIQN-QPJJXVBHSA-N 383.271 2.863 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)[C@]12C(=O)Nc1ccccc12 524734785 NTSQUOJVUUFZBS-QFIPXVFZSA-N 387.395 2.599 0 40 GFAB C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cn2ccccc2n1 563419723 YNHFFMWFTYCLDC-KRWDZBQOSA-N 377.492 2.573 0 40 GFAB O=C(NCC1CCN(C2CCSCC2)CC1)c1cccc2c1OCCO2 238956743 YAXNNACRCIDXND-UHFFFAOYSA-N 376.522 2.795 0 40 GFAB CCc1ncc(CNC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)o1 519685139 USVNBPCIRYEGOX-UHFFFAOYSA-N 376.501 2.951 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 130425390 SGYNYWXMKKYZDQ-FZMZJTMJSA-N 399.274 2.900 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 224182120 ODBAKZSMKJMSSW-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1 220168166 UDQKWFQJSAYEPA-NSHDSACASA-N 384.404 2.767 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCC[C@@H](C)C3)s2)c1 224245644 NDTSXMRKGYABPZ-GFCCVEGCSA-N 380.495 2.519 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220501281 RQCPJSQIEKGRSM-SFHVURJKSA-N 390.505 2.865 0 40 GFAB COC(=O)c1cn(C(=O)CN(c2ccccc2)S(C)(=O)=O)c2ccccc12 222580225 RZUNYTAVSWEXQQ-UHFFFAOYSA-N 386.429 2.534 0 40 GFAB CCCCOc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224359831 WPHKFVKIKPVIGS-UHFFFAOYSA-N 399.495 2.810 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 222723451 HAXMRMZROHZRLL-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)OCc1ccccc1 147667827 MEQCTPZKRZQXNE-HZPDHXFCSA-N 392.452 2.711 0 40 GFAB Cc1ccccc1N1C[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)CC1=O 96238621 RJNDRMNYMQNXIR-SFHVURJKSA-N 376.503 2.874 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124167 BTIWJQNBOXUCAA-UHFFFAOYSA-N 397.870 2.874 0 40 GFAB Cc1cccc2c1ccn2CCNC(=O)Cn1nc2c(cc1=O)CCCCC2 96345267 PRKKXRZRXIPRDW-UHFFFAOYSA-N 378.476 2.592 0 40 GFAB CC(C)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)[C@@H]1C[C@H]1C)CC3 248167644 PGMLGMNKSOIYRD-SPYBWZPUSA-N 397.523 2.911 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O 248128280 HUNVGBKDDVLBHU-LZNRXBQRSA-N 393.443 2.818 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 257233068 GNPJPGQKNVNJCV-LJQANCHMSA-N 398.478 2.725 0 40 GFAB O=C1CCc2cc(C(=O)N[C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)O)ccc2N1 538469459 AKSRMBNGDJKSDR-GOSISDBHSA-N 395.390 2.617 0 40 GFAB O=C(O)COc1cccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 659752061 OWSXYKIZONAWLV-UHFFFAOYSA-N 388.851 2.761 0 40 GFAB COc1ccc(-c2[nH]c3nc(O)nc(O)c3c2-c2c(O)cc(C)oc2=O)cc1 604404440 HDOACDZILPBRIA-UHFFFAOYSA-N 381.344 2.679 0 40 GFAB biogenic Cc1noc(C)c1CS(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 45289407 QAPCENNFDUGVRR-UHFFFAOYSA-N 376.356 2.864 0 40 GFAB COc1ccc(NC(=O)C[C@H]2OCCc3ccsc32)cc1-n1nnnc1C 95349308 JVHHSDAVACDGLO-MRXNPFEDSA-N 385.449 2.683 0 40 GFAB COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 95976011 JURLXIYGSCLMMP-YPMHNXCESA-N 387.807 2.815 0 40 GFAB COc1cccc(OC)c1OC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 11465325 LLNDDOWMDJGSJB-UHFFFAOYSA-N 379.434 2.610 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(C)CC1 14400540 KQBDFGIYCSBICI-UHFFFAOYSA-N 380.510 2.742 0 40 GFAB CC(C)c1cc(C(=O)N2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)on1 19452989 HTPGREMFCCYSCC-ZBFHGGJFSA-N 378.436 2.711 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19580613 OVXRQHJRHGHHPT-UHFFFAOYSA-N 380.448 2.867 0 40 GFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CN(Cc3ccnn3C)CCO2)n1 19692678 OCAOVNYTLDLPKR-IBGZPJMESA-N 396.470 2.656 0 40 GFAB COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 509654419 UTULJHGCJKAOHV-YGRLFVJLSA-N 387.263 2.666 0 40 GFAB CCn1cc(Cl)c(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)n1 225794414 XTGPQXZCCQSQIR-UHFFFAOYSA-N 388.903 2.624 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 4583269 OSGIQBZVGIQRAA-GOSISDBHSA-N 395.507 2.583 0 40 GFAB Cn1cc(CCC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)nn1 628479413 MLAFNQACBYUVSV-OAHLLOKOSA-N 395.326 2.903 0 40 GFAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 5562748 AGHIUYILBYMDKV-GOSISDBHSA-N 393.395 2.507 0 40 GFAB biogenic Cc1nc(C)n(CC(=O)N2CCC(c3nc4ccc(F)cc4cc3N)CC2)n1 12088001 WDHZPOYPPFWXCA-UHFFFAOYSA-N 382.443 2.571 0 40 GFAB C[C@H]1CCc2c(nc(N)n(CC(=O)Nc3ccc(N4CCCCC4)cc3)c2=O)C1 12222032 XUQFLCWMXQJIFW-HNNXBMFYSA-N 395.507 2.579 0 40 GFAB CCSc1nnc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)s1 2658032 VRAKKQHOQHCMMT-UHFFFAOYSA-N 375.479 2.941 0 40 GFAB COc1cccc(CNC(=O)NCc2nnc3ccc(-c4ccsc4)nn23)c1 238921637 TZYDZQCEJLOIEM-UHFFFAOYSA-N 394.460 2.861 0 40 GFAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)C1(F)CCC1)CC2 1565555158 UUGQNJOAWSYKDP-UHFFFAOYSA-N 387.480 2.893 0 40 GFAB CSc1nnc(C)c(=O)n1COC(=O)COc1ccc(Cl)cc1Cl 4495810 MQGAKKMMORAPLE-UHFFFAOYSA-N 390.248 2.555 0 40 GFAB Cc1nc2c(=O)n(CC(=O)NCc3ccco3)nc(-c3ccccc3)c2s1 8955022 VQHNZJSYESXCNB-UHFFFAOYSA-N 380.429 2.738 0 40 GFAB COC(=O)[C@@](NC(C)=O)(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F 9109243 GYBGZPJVRHCFAX-GFCCVEGCSA-N 381.763 2.929 0 40 GFAB CC(C)(C)c1cc(N2CCN(c3ncc(Br)cn3)CC2)ncn1 1775974087 VDFNZLYVIOGVST-UHFFFAOYSA-N 377.290 2.653 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCC1CCN([C@H]2CCSC2)CC1 225575410 KCTAYGSRDRONCO-HNNXBMFYSA-N 393.578 2.681 0 40 GFAB Cc1csc(C(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)c1 585147752 XNFBHOIXTQVXMN-UHFFFAOYSA-N 377.491 2.520 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cncnc3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242916 ZTVJEECCMYSMSH-WOZUAGRISA-N 390.491 2.907 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1c(C)nn3c(C)cc(C)nc13)CC2 40152532 HNFGDXYWAKQYQQ-UHFFFAOYSA-N 380.448 2.870 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 40154843 ZFVBZMKKWYGYLL-GFCCVEGCSA-N 390.386 2.798 0 40 GFAB CN(CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 30496526 FSCLYTUXSUVSQJ-UHFFFAOYSA-N 387.505 2.618 0 40 GFAB COCCn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21 2407578 ACOGOEURSONOGH-UHFFFAOYSA-N 396.472 2.954 0 40 GFAB CCc1c(C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)[nH]c(C)c1C(C)=O 50781913 KAKRVIDRGACTEX-UHFFFAOYSA-N 377.466 2.557 0 40 GFAB in-vitro Cc1ccc(NCC(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N(C)C 7973620 ZFWKLLUJCPBRSG-UHFFFAOYSA-N 383.420 2.574 0 40 GFAB COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2ccc(C)cc2)c1 932272 HGLLUFMKKKWSJU-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl 20405293 ZHIKENOIXWFNSP-FQPOAREZSA-N 385.773 2.973 0 40 GFAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)c(OC)c1 51317713 ANRRGQYZPHTMPF-UHFFFAOYSA-N 384.411 2.970 0 40 GFAB O=C(OCc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 4836440 GYQPEYIBPBUHSL-UHFFFAOYSA-N 395.864 2.718 0 40 GFAB CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)Nc3ncnn32)cc1Cl 4987234 KUHDRWNMADTBDZ-INIZCTEOSA-N 392.843 2.809 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(N)n2-c2ccccc2)c1 6952009 XYJMTKUXTZVMPY-UHFFFAOYSA-N 385.449 2.598 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7232451 FEBROLXEZINRKI-RDJZCZTQSA-N 396.443 2.787 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2)c1 7642421 RNSNTCVKJONFMG-UHFFFAOYSA-N 378.519 2.600 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)/C=C/c2cccs2)c(C)c1 7982752 QFXBILMQHWGJNA-VOTSOKGWSA-N 386.473 2.985 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)nc2O)CC1 100750103 TWHVTKKJYRTGGP-FUHIMQAGSA-N 396.491 2.904 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 8130202 GYLCQOBFSHRCFY-OAHLLOKOSA-N 387.480 2.826 0 40 GFAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N1CCOCC1 8767659 KPVXJAIIGBESSS-JTQLQIEISA-N 398.282 2.839 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)s1 2652751 LXXAMZBXBCSWMZ-AWEZNQCLSA-N 382.445 2.899 0 40 GFAB O=C(c1coc(CN2CCN(Cc3ccccc3)CC2)n1)N1C[C@H]2CC[C@H]1C2 102572363 CNRREJRVVMLIRV-OALUTQOASA-N 380.492 2.617 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)c1 12296744 XYFHKXFGQWHVDT-MRXNPFEDSA-N 377.444 2.888 0 40 GFAB biogenic Cn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 656396 CMKGUEDWHZASAC-UHFFFAOYSA-N 378.205 2.819 0 40 GFAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 103472599 SRKNHUMFMPIXQJ-ZDUSSCGKSA-N 390.915 2.949 0 40 GFAB COc1ccccc1N(CCCC(=O)NCc1cccc(C)c1)S(C)(=O)=O 113967423 MAALKXJBRYAPQF-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCCC2)c(=O)[nH]c1=O 23075107 BOSBMGZSHNHNOV-UHFFFAOYSA-N 378.517 2.878 0 40 GFAB CCOc1cccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)c1 22394353 MRXXIOWOWOBBEU-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 47478712 QFPWWWDSUBILLD-KRWDZBQOSA-N 384.505 2.837 0 40 GFAB O=C(CN1CCN(C(=O)c2cccc3cccnc23)CC1)Nc1ccc(F)cc1 54911895 YUKHOGITLZHWMJ-UHFFFAOYSA-N 392.434 2.770 0 40 GFAB COc1ccc(N2C(=O)NC(=O)/C(=C(\C)N[C@@H](C)c3ccccc3)C2=O)cc1 1294996 REUKBKNXAOCFEW-SSICXYGWSA-N 379.416 2.903 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21 3223313 QLYRIICIYFXMBR-FQEVSTJZSA-N 380.444 2.574 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 26527508 VYYJOXWFNYHPMG-UHFFFAOYSA-N 375.855 2.553 0 40 GFAB Cc1nnc(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)n1N 1906729 UHOJNORJOYKAHJ-UHFFFAOYSA-N 394.913 2.732 0 40 GFAB COc1ccc(CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1F 27107577 DQHZCDBZGJGGNO-UHFFFAOYSA-N 383.423 2.901 0 40 GFAB CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2Br)C1 58162145 UNHQPLLTWZDPEV-CYBMUJFWSA-N 375.332 2.768 0 40 GFAB CCN(c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1)S(C)(=O)=O 20030578 KRVZWLWASCTQGQ-UHFFFAOYSA-N 380.441 2.938 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 58324608 OASCKKMKUMHCCO-KRWDZBQOSA-N 392.452 2.532 0 40 GFAB CC[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc(OC)cc1 28099726 BCMMAUUOGPCSBX-GOSISDBHSA-N 394.479 2.617 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 58421792 ZBVLSMRUWFFSFB-WBMJQRKESA-N 378.432 2.724 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 12790169 ACGFHOWQZGOSMU-QXAKKESOSA-N 378.538 2.867 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccccc1 20105234 ANRUPRSGDZQFCZ-GOSISDBHSA-N 376.478 2.729 0 40 GFAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 3408044 JYHOSEVMIWGIHT-UHFFFAOYSA-N 388.420 2.719 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1 12982391 BDIUDZLJUWUPKD-HNNXBMFYSA-N 395.864 2.778 0 40 GFAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)C(C)C)CC1 4125396 BXHIUUCZRMJDPR-UHFFFAOYSA-N 396.944 2.868 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985331 KSHMEGNOXTXHOV-IBGZPJMESA-N 398.440 2.552 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)c(Cl)cc21 5427535 LYGAXZPZRZLCDN-CYBMUJFWSA-N 392.864 2.963 0 40 GFAB Nc1ncnc2c1C(=O)N(c1ccc(C3CCC(CC(=O)O)CC3)cc1)CCO2 68199923 GEVVQZHMFVFGLN-UHFFFAOYSA-N 396.447 2.847 0 40 GFAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 7726577 ZEIWEHWEJSUTRA-UHFFFAOYSA-N 385.344 2.826 0 40 GFAB COc1ccc(CNC2=N[C@@H]([C@H]3CC=CCC3)n3c(nc(C)cc3=O)N2)cc1 9426312 IVIIJBQRVGWIQK-QFBILLFUSA-N 379.464 2.987 0 40 GFAB COC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c1 96307236 KDKAIMMQOJVGGF-QGZVFWFLSA-N 396.491 2.805 0 40 GFAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1CCN(c2cnccn2)CC1 84392784 KYDJRYBKSASMSG-AZUAARDMSA-N 384.455 2.869 0 40 GFAB CCOc1ccc(C(=O)C[C@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)cc1 20459170 HQEKVNPSYJAHPG-OAQYLSRUSA-N 396.487 2.929 0 40 GFAB CC[C@@H](CO)NC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1 95465564 PDWUAZAPGHZAPQ-HNNXBMFYSA-N 396.422 2.764 0 40 GFAB COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C)cc1F)c1noc(C)n1 78808821 CPWKXGVEZBWNPL-KRWDZBQOSA-N 391.424 2.902 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 408602840 JJULDXFDGIWBRO-CQSZACIVSA-N 392.477 2.788 0 40 GFAB O=C(Cc1coc2cc(F)ccc12)NCc1ccccc1CN1CC[C@H](O)C1 543832790 LWXPWNIADJHETF-IBGZPJMESA-N 382.435 2.997 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccccn4)C[C@H]32)cc1 306124314 BMMYKKYWDIUCNR-FGZHOGPDSA-N 388.471 2.973 0 40 GFAB CN(C)c1ccc(NC(=O)c2cn(-c3ccccc3Br)nn2)cn1 32298802 VLBFWIJRCNXIQN-UHFFFAOYSA-N 387.241 2.743 0 40 GFAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 32439126 PMMUWNGUXJGASF-UHFFFAOYSA-N 382.526 2.711 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(-c4cc(C)oc4C)o3)CC2=O)c1 56905341 OKQCSZOKEREFSD-CYBMUJFWSA-N 396.403 2.947 0 40 GFAB COc1ccccc1CCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 219136080 SUIKFDKVNPUIRI-UHFFFAOYSA-N 380.444 2.820 0 40 GFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)c(O)c1 79191381 CZYCWLOLWPWRDU-VQIMIIECSA-N 382.368 2.963 0 40 GFAB biogenic C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 222249033 PPIVCBCOLCHEFG-NOXHYTERSA-N 387.741 2.554 0 40 GFAB Cc1ccccc1CSCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 225419194 REHHQLUIFXPISQ-UHFFFAOYSA-N 392.546 2.909 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1 225948310 OMQMNJAFFVPXGC-OXQOHEQNSA-N 386.473 2.546 0 40 GFAB CC(C)(C)SCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223757191 ILJGNLDVFXDPIJ-UHFFFAOYSA-N 382.551 2.796 0 40 GFAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NC[C@H]1CCCO1 227159313 GMOSZKUWQGVEGO-TZMCWYRMSA-N 394.269 2.697 0 40 GFAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223128544 WTBSVULHMNFJOQ-WOJBJXKFSA-N 399.564 2.769 0 40 GFAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1cc(F)ccc1F 77104277 PXIWPALTVAXBPF-UHFFFAOYSA-N 393.459 2.961 0 40 GFAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(C(=O)c3cccs3)CC2)C1 247973083 ZAYDYPOSEQOAGI-KRWDZBQOSA-N 376.522 2.875 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@](O)(c4ccco4)[C@H]3C2)cc1 247909912 JLMLRTBMMMMPRS-FNHZYXHNSA-N 377.462 2.597 0 40 GFAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(C(=O)c3cccc(O)n3)CC2)C1 257298622 RMNSSYCFMAGLAA-KRWDZBQOSA-N 385.439 2.826 0 40 GFAB CC(C)Cc1ncc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)s1 257291090 QFOMNEAHXKTKDU-UHFFFAOYSA-N 380.539 2.938 0 40 GFAB C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 661135189 CJGDYJKXCCVSMQ-DJPFJPOOSA-N 393.487 2.694 0 40 GFAB COCc1n[nH]c(CNC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)n1 617936523 QGDAZCILYYGFFZ-UHFFFAOYSA-N 394.357 2.598 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H]2C[C@H](OC)C2)ccc1Cl 626214404 MLRWLTRORDAOQN-JOCQHMNTSA-N 389.905 2.669 0 40 GFAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cccc3c2OC(F)(F)O3)no1 570782311 YLSIIDUQDSLQHS-KBPBESRZSA-N 398.385 2.744 0 40 GFAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)NS(=O)(=O)c1cccc(-c2nnco2)c1 585094029 WCXREQAXNYKPBV-XJKSGUPXSA-N 397.403 2.757 0 40 GFAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(-c2ccccc2)cc1 585295342 VYTKKVPUEXWWBD-FQUZAXHOSA-N 389.495 2.863 0 40 GFAB O=C(C1CCN(c2ccc3cccc(O)c3n2)CC1)N1CC[C@@H](N2CCCC2)C1 102899858 LGBBNQAOVXZHGT-LJQANCHMSA-N 394.519 2.854 0 40 GFAB Cc1c(NCn2c(C)cc(=O)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 5922105 WAZKETVKLRIEJY-UHFFFAOYSA-N 389.459 2.815 0 40 GFAB COC(=O)c1ccc(NC(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)cc1 11613574 AKQAJBYNSPAGCQ-AWEZNQCLSA-N 387.461 2.829 0 40 GFAB O=C(C1CC1)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H]2C1 12188311 DQDYBABVVIWGGW-QUCCMNQESA-N 384.501 2.861 0 40 GFAB CN(CCc1ccccc1)c1nc(CCn2ncc3c2CCCC3)cc(=O)[nH]1 19586237 GQGHUPZWXGUIPM-UHFFFAOYSA-N 377.492 2.767 0 40 GFAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc(F)c(Cl)c2)n1 206722538 DROLEUWSSHTQGK-UHFFFAOYSA-N 379.823 2.736 0 40 GFAB COc1ccc(-c2nc3s/c(=C\c4ccc(C)cc4)c(=O)n3n2)cc1OC 3637171 CMJRDLOUZYHSCJ-YVLHZVERSA-N 379.441 2.691 0 40 GFAB CC(C)OC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)n2cncn2)[C@@H]1c1ccc(F)cc1 12188749 OHRUHNJZIJFZAP-LSBZLQRGSA-N 388.443 2.910 0 40 GFAB COc1ccccc1CC(=O)N1CCC([C@H](NC(C)=O)c2nccs2)CC1 12365731 GBHNBPAOSRPGED-IBGZPJMESA-N 387.505 2.810 0 40 GFAB CCCS(=O)(=O)Nc1cc(NC(=O)c2c(C3CC3)cnn2C)c(F)cc1F 667947665 YYBPYRVCDDKPGP-UHFFFAOYSA-N 398.435 2.980 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cc(N)nc3ccccc23)N2CCOCC2)cc1 19718627 UTPIOHSOAAYEPU-NRFANRHFSA-N 390.487 2.929 0 40 GFAB COc1cccc(NC(=O)CN(C)S(=O)(=O)C2=Cc3ccccc3CC2)c1 5256735 ABGAPMDXKSTMEY-UHFFFAOYSA-N 386.473 2.883 0 40 GFAB CSc1ncc(C)c(OCC2CCN([C@H]3CCN(C(C)C)C3=O)CC2)n1 1888863731 CMIKFFCOVPQUFC-INIZCTEOSA-N 378.542 2.607 0 40 GFAB CC(C)c1noc(CN2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 1888899239 RNHRQMJPPSHRTK-UHFFFAOYSA-N 383.500 2.855 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 1889128370 CJXOVDXMAMHCDW-CJNGLKHVSA-N 394.397 2.985 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)Cc2ccc(F)cc2C)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 1848354250 VGIMKEFPKKGPAU-XWSHUIEDSA-N 390.499 2.723 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 25153185 QKGGEQDTEFBEHB-INIZCTEOSA-N 397.450 2.536 0 40 GFAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3ncc[nH]3)CC[C@H]21 2037989092 VDSFPWDKHIGCIA-RBUKOAKNSA-N 382.508 2.864 0 40 GFAB CC(C)Cc1cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)n(C)n1 2037909220 DZSZCOAWYGGBCC-NRFANRHFSA-N 389.471 2.804 0 40 GFAB Cc1nc(C)c(CN2CCO[C@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)s1 2056226607 WEESFXZYZYLPAW-PXNSSMCTSA-N 393.553 2.569 0 40 GFAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 253473768 YIXXAXZGXVDMNF-LBPRGKRZSA-N 386.429 2.787 0 40 GFAB CC[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 4061446 LLIPCDMEOHSYMW-JTQLQIEISA-N 391.884 2.779 0 40 GFAB Cc1ccccc1Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O 4945190 UJPNNBHQENTWNG-UHFFFAOYSA-N 391.475 2.930 0 40 GFAB COc1ccccc1CNC(=O)CSc1ccc(NC(=O)c2ccco2)nn1 11739298 XAXZKYLIRPLCOJ-UHFFFAOYSA-N 398.444 2.739 0 40 GFAB CCNC(=O)c1cnn2c([C@H]3CCCN(C(=O)[C@]4(C)CC=CCC4)C3)ccnc12 2055738757 OQRNNWRWALLQOI-KSFYIVLOSA-N 395.507 2.931 0 40 GFAB O=C(c1ccno1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 23128108 OQJYRZXOJGPBST-UHFFFAOYSA-N 392.868 2.917 0 40 GFAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ccc(C(F)(F)F)cn2)C1 585606048 NTETZBLUZCGPBL-UHFFFAOYSA-N 387.365 2.856 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(=O)c2ccccc2o1 225710710 ICEGVDQGEMKZGG-JOCHJYFZSA-N 379.412 2.756 0 40 GFAB CCCCC(=O)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 5234879 GDQHGMPCVZKXKA-UHFFFAOYSA-N 392.433 2.632 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19336124 IPMXYYILRWDOAK-KRWDZBQOSA-N 392.912 2.692 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116747 WTAYWIKLUMNMJG-APPDUMDISA-N 385.386 2.633 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 7985561 HJWDBFMALJNFMB-HNNXBMFYSA-N 384.432 2.574 0 40 GFAB COc1ccccc1Cn1c(SCC(N)=O)nc2c(oc3ccccc32)c1=O 2712940 NRBVCFYWBWJQBK-UHFFFAOYSA-N 395.440 2.777 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ncn3n2)c(C)c1 51316985 HLXQYMGDIAWWFL-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 11566073 RFIQNTMAGJBKQO-UHFFFAOYSA-N 375.874 2.923 0 40 GFAB CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(OC)cc3)cc2)CC1 4412715 KLLHJSJZOQHGPM-UHFFFAOYSA-N 397.475 2.771 0 40 GFAB CCOC(=O)CNC(=O)CSc1nc(CC)nc2sc(C)c(CC)c12 4888828 LJIOWNYSNUOYDJ-UHFFFAOYSA-N 381.523 2.896 0 40 GFAB CCN(C(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)C1CCN(C)CC1 100124787 SJTCBZRVBOIBSN-SPAWWWTRSA-N 382.504 2.989 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)NCc1ccc(OC(F)F)cc1 11837068 CAPFAFZJAQXLIU-UHFFFAOYSA-N 379.388 2.766 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814446 GYGWEKMIBFOULT-UHFFFAOYSA-N 399.472 2.802 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 32900762 ASJHAKOHCAHBLP-UHFFFAOYSA-N 380.379 2.704 0 40 GFAB CN1CCN(CCCNC(=O)c2ccc3c(c2)CCO3)[C@@H](c2ccccc2)C1 33136145 OOTZTLCYFXXVOL-OAQYLSRUSA-N 379.504 2.730 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc3C2)c(C)c1 802526 SAKJMCZHYYYGQV-UHFFFAOYSA-N 386.517 2.817 0 40 GFAB Cc1ccc(C(=O)N/C(=C\c2cccnc2)C(=O)NCCCn2ccnc2)cc1 33933233 RXTPMJGZBGMPPG-ZHZULCJRSA-N 389.459 2.564 0 40 GFAB O=C(OCCOc1ccccc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 24650908 BFPNCPGJZFSFNM-KRWDZBQOSA-N 395.411 2.697 0 40 GFAB CCN(C)Cc1cccc(CNC(=O)NCc2cccnc2-n2ccnc2)c1 61862432 SSNUABOIDMXDNW-UHFFFAOYSA-N 378.480 2.718 0 40 GFAB C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccc(Br)c1 27745104 BTJSFALJXGVPHV-NSHDSACASA-N 387.233 2.923 0 40 GFAB CCCC(=O)Nc1nnc(SCc2cc(=O)n3nc(CC)sc3n2)s1 20983645 PSIMZQBXZXPRQT-UHFFFAOYSA-N 396.523 2.596 0 40 GFAB OCCNCCNCc1cc(Br)ccc1OCc1ccccc1 23468977 RJKQZDYULMEHJZ-UHFFFAOYSA-N 379.298 2.700 0 40 GFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)CC(=O)NC(C)(C)C 10298885 XGCLZCCHDBQMHO-UHFFFAOYSA-N 395.507 2.805 0 40 GFAB CN(C)c1ccc(N2C=CC(=c3cc[n+](=C4C=CC(=[N+](C)C)C=C4)cc3)C=C2)cc1 3182170 WLLSLJDEHKCBOM-UHFFFAOYSA-N 396.538 2.958 0 40 GFAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 10384791 INMYINCGYWXUMU-WBMJQRKESA-N 394.518 2.596 0 40 GFAB O=c1onc(-c2ncccn2)n1CCOc1ccc(Cl)cc1Br 58392043 VNWDKIQNERUBSB-UHFFFAOYSA-N 397.616 2.788 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 58427250 LQOMCLNVTXXNLM-UGNPLGLKSA-N 383.517 2.982 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(CCc2ccccc2)s1 36357003 GYESUHGQXFVCDF-UHFFFAOYSA-N 391.456 2.672 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1 12752401 NBAJXOJKBVHJJJ-UHFFFAOYSA-N 382.432 2.622 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCCC1 13017489 QFTKWSVXTYLSIN-QGZVFWFLSA-N 377.510 2.589 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc(F)ccc2F)CC1 13003564 LGEPRGATYWYNQL-UHFFFAOYSA-N 387.430 2.978 0 40 GFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-n2ccnc2)cc1 13041115 WUNMGILYEOIDHV-HNNXBMFYSA-N 398.488 2.614 0 40 GFAB NC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408751080 WETFXVDIADSZEE-QWRGUYRKSA-N 375.475 2.553 0 40 GFAB COc1ccc(N/C(C)=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1 13127573 XQCPVTZZYRSLIM-ATVHPVEESA-N 387.436 2.801 0 40 GFAB COc1cc(/C=C/C(=O)N[C@H](CC(=O)O)[C@@H]2CCOC(C)(C)C2)ccc1O 4090732 ANWMARCYGUNBQT-IPKOWEFYSA-N 377.437 2.579 0 40 GFAB biogenic COc1cc(C2=NO[C@@H](C(=O)NCc3cccs3)C2)cc(OC)c1OC 5030989 CKHXDQBENOJBPH-MRXNPFEDSA-N 376.434 2.583 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 13790033 LFAQZBIYJVDMGE-LBPRGKRZSA-N 383.470 2.559 0 40 GFAB CCCCn1c(SCC(=O)N2CCNC2=O)nc2sc(C)c(C)c2c1=O 4314011 BYLHUNSCWMFPIB-UHFFFAOYSA-N 394.522 2.519 0 40 GFAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 6296092 MNSWQVPCYMNYLI-UHFFFAOYSA-N 382.825 2.886 0 40 GFAB COc1ccc(Br)cc1CN(C)C(=O)C1CCN(C(C)=O)CC1 14119255 ASEANQLTFHBBBP-UHFFFAOYSA-N 383.286 2.675 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 6602791 HCSUBUWVPAELMO-RBUKOAKNSA-N 394.471 2.557 0 40 GFAB COc1cccc([C@]2(C)NC(=O)N(NC(=S)Nc3cccc(C)c3)C2=O)c1 5688918 BYMYTLGFCPKFJY-IBGZPJMESA-N 384.461 2.672 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1O[C@@H](C)CC 408595927 XUHLVTRUODKKGT-JLATVTFTSA-N 396.827 2.893 0 40 GFAB O=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 67386214 IAMMHRUUABHWTQ-MAUKXSAKSA-N 384.423 2.633 0 40 GFAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1S(C)(=O)=O 7856773 OWDKWHMXHLRKDY-AWEZNQCLSA-N 375.446 2.891 0 40 GFAB CCc1cc(=O)[nH]c(-c2ccc(NC[C@@H](O)COc3c(C)cccc3C)nc2)n1 68691993 FLVRNCCZDQXUDH-GOSISDBHSA-N 394.475 2.863 0 40 GFAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1F 9115310 JNPXNHFILCIIDH-MRXNPFEDSA-N 381.379 2.905 0 40 GFAB CN(CC(=O)N1CCCC1)CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 9503277 VGUMLUYYAIZDRZ-FQEVSTJZSA-N 393.487 2.708 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cn3)cc2)CC1 72254913 QGMVIFBSIHKILY-UHFFFAOYSA-N 377.441 2.894 0 40 GFAB NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@@H]2CS1 114944682 NIDRNVHMMDAAIK-MGNBDDOMSA-N 390.415 2.515 0 40 GFAB in-vitro CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCc2c(ncn2C2CC2)C1 95349698 WAONCEFMJHVJPX-NRFANRHFSA-N 378.476 2.639 0 40 GFAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCOC[C@@H]2c2ncon2)c1 95981442 NKFHLMCBVKASGF-CQSZACIVSA-N 378.816 2.531 0 40 GFAB Cn1nccc1-c1ccc2nnc(C3CCN(Cc4cccs4)CC3)n2n1 306137322 QSVZFGYUHLQLBR-UHFFFAOYSA-N 379.493 2.966 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(Cl)c2)cc1 409115007 GIQWCTGWKMYBDC-UHFFFAOYSA-N 382.869 2.632 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1-n1ccnc1 30857512 KYBSBRPAXCKALG-UHFFFAOYSA-N 388.427 2.565 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(=O)N1CCCC1 30851584 MMYBLTMUQIMSKU-UHFFFAOYSA-N 392.452 2.549 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 56906393 DTGVBUHGEJBATJ-UHFFFAOYSA-N 394.834 2.712 0 40 GFAB C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 31860813 OFUMSTVCETVCLF-ZKCQSVRFSA-N 397.427 2.963 0 40 GFAB C[C@H]1CN(Cc2cncn2Cc2ccccc2)CCN1C(=O)c1cscn1 566606623 DFIGMKCZDRRDLN-INIZCTEOSA-N 381.505 2.734 0 40 GFAB COC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 49543687 OJAXEVVXQANBGK-INIZCTEOSA-N 381.388 2.592 0 40 GFAB biogenic C[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220445466 LSBJUJYYINQPTJ-CYBMUJFWSA-N 394.443 2.704 0 40 GFAB CCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224776160 CJNYVDKNRCSDCN-UHFFFAOYSA-N 376.478 2.574 0 40 GFAB CC(C)CN1C[C@H]2CN(C(=O)c3ccc(N4CCC(C)CC4)nc3)CCN2C1=O 569991883 HXZKQBDZJXYKFP-LJQANCHMSA-N 399.539 2.536 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2OC)cc1 224592860 CPWOFCUJIIBPGX-UHFFFAOYSA-N 379.434 2.682 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 224070379 YAWIJYDAUQPJSP-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(F)c1 225096755 BKESJIYXXZANTN-UHFFFAOYSA-N 381.425 2.765 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c(C)c1 224303354 AMTHACOXXNPWHB-UHFFFAOYSA-N 390.509 2.656 0 40 GFAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)ccc21 96183060 CTSRMDIQNAFBIN-OKILXGFUSA-N 380.510 2.519 0 40 GFAB CN1CC2(CCN(Cc3ccco3)CC2)COc2ccccc2S1(=O)=O 96037125 FZFDOTWQHDZKFN-UHFFFAOYSA-N 376.478 2.575 0 40 GFAB O=C(C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21)NC1CC1 96053018 BDNMPBMHSCOAER-HNNXBMFYSA-N 388.533 2.668 0 40 GFAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)C(=O)O)cc1 242390223 AFJSLWNNGFFMOD-SOLBZPMBSA-N 379.865 2.618 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245229864 HPUXACWYEUDBLN-VDVULAQNSA-N 396.418 2.516 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)COc3cccnc3)C2)ncn1 257216710 CVTTVOYXPSOGPX-INIZCTEOSA-N 393.447 2.613 0 40 GFAB O=C(c1cc(-c2ccccc2)on1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104259 YGIJVLMLJDYXLF-UHFFFAOYSA-N 386.404 2.779 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN1CCC[C@H]1CO)C2 585104875 VCVTZHWHZILEPY-PMACEKPBSA-N 386.536 2.717 0 40 GFAB CCCN1CCN(CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585183630 UEIVBXRJRRBYBJ-QFIPXVFZSA-N 393.531 2.813 0 40 GFAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CC2CCCC2)CCO1 585282944 BZPHYJNROKCRMC-HXUWFJFHSA-N 394.899 2.772 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)N1CCC[C@H](c2ccccc2)CC1 66764730 AICWZPCPOMSGQR-SFHVURJKSA-N 376.460 2.978 0 40 GFAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCN(c2ccccc2)CC1 5381173 OWDPWBQYAVMZHC-UHFFFAOYSA-N 399.516 2.579 0 40 GFAB Cc1cnc(-c2nc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)no2)cn1 12187427 ZQBQWJFWIDHICK-UHFFFAOYSA-N 381.411 2.923 0 40 GFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NC1CCC(C)CC1 12920356 CLCJNVSLMYXHHB-LEOMRAHMSA-N 378.538 2.998 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1I 13673456 RZFKHMGGTUHJBH-SNVBAGLBSA-N 395.262 2.720 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 14607415 SGYNYWXMKKYZDQ-SMDDNHRTSA-N 399.274 2.900 0 40 GFAB CCCC(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19501474 JOBYHUPXAIYANY-QHCPKHFHSA-N 395.503 2.777 0 40 GFAB Nc1ncc(-c2ccc([C@@H]3CCCN(CC(=O)NC4CCCCC4)C3)nc2)cn1 19688605 AABKYHKGNYSDMO-QGZVFWFLSA-N 394.523 2.749 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)no2)cc1 19715063 WAVMIKJLCAVOJE-HXUWFJFHSA-N 392.459 2.848 0 40 GFAB O=C(Cc1cccc(F)c1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 5200609 KBQYRJYEAKTGKY-YBEGLDIGSA-N 385.420 2.616 0 40 GFAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Br)s1 6251529 JFIVDJNJDGLFLF-UXBLZVDNSA-N 381.207 2.766 0 40 GFAB O=S(=O)(c1ccccc1F)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1 12114892 HHMOJHGQEFZEAN-UHFFFAOYSA-N 387.440 2.574 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CC[C@H](Oc2ncccc2Br)C1 238849352 JCAAKULUMYHBPK-AWEZNQCLSA-N 397.294 2.827 0 40 GFAB O=C(c1ccc(OCC2CCOCC2)nc1)N1CCN(c2ccc(F)cc2)CC1 245026566 NALFYRQNUYMLSY-UHFFFAOYSA-N 399.466 2.989 0 40 GFAB Cc1n[nH]c(C)c1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988927 NRBKPTADUSECRF-NRFANRHFSA-N 386.471 2.954 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037840238 JYQHAACCOOUTKE-UHFFFAOYSA-N 398.434 2.629 0 40 GFAB COc1ccccc1N1C(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 4393619 YWIMFRZHUQLHPW-QZTJIDSGSA-N 386.473 2.924 0 40 GFAB C[C@H]1CCCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)C1 5412701 VEWHTYHBWDLVLA-LBPRGKRZSA-N 388.468 2.955 0 40 GFAB CN1CCOc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2C1=O 8961587 GTAFVQPDRYYEHX-UHFFFAOYSA-N 380.853 2.746 0 40 GFAB Cn1cncc1C(=O)N1CCC(COc2ccc3nc(C(C)(C)C)cn3n2)CC1 2298063534 TYISTBQAKDCAHT-UHFFFAOYSA-N 396.495 2.692 0 40 GFAB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 4079385 NJQJMVSEJNFMJU-JTQLQIEISA-N 381.479 2.772 0 40 GFAB COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCN(C(C)=O)C2 22673105 IUUGOXUCIGSMQK-UHFFFAOYSA-N 378.475 2.682 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1C 40017302 HVKHMZIYVKPZFU-OAHLLOKOSA-N 375.494 2.699 0 40 GFAB O=C(Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1)c1ccc(Cl)cc1 40151769 FRYHMEABJNVGLV-UHFFFAOYSA-N 382.844 2.966 0 40 GFAB COc1ccc(N(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C(=O)c2ccco2)cc1 100453649 RCPCFGLABKSTLI-LSOMNZGLSA-N 392.411 2.700 0 40 GFAB COc1ccc2c(COC(=O)C[C@@H]3Oc4ccccc4NC3=O)cc(=O)oc2c1 7814658 KBQVLMPINVLGLO-SFHVURJKSA-N 395.367 2.635 0 40 GFAB O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 902293 IAAMHVZEYKSOTN-UHFFFAOYSA-N 379.526 2.676 0 40 GFAB COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 2442384 SJNFYJSMUPAXBU-SFHVURJKSA-N 399.374 2.838 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 31983040 NYIWOKFNCCYQQD-UHFFFAOYSA-N 375.494 2.934 0 40 GFAB CC(C)c1cc(C(=O)N2CCN(c3cnccn3)CC2)c2cnn(C(C)C)c2n1 11544915 RBSFXDROSSLHEM-UHFFFAOYSA-N 393.495 2.888 0 40 GFAB Cc1ccc2c(c1)N(C(=O)CSc1nnc(-c3cccc(F)c3)n1N)CCO2 51319274 MOCXUNIWNKZFJE-UHFFFAOYSA-N 399.451 2.624 0 40 GFAB CCN1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)CC1 6517658 HBXOCRNIXQDBQM-MDZDMXLPSA-N 384.505 2.948 0 40 GFAB CCOc1ccccc1NS(=O)(=O)c1c(C)nc2scc(C)n2c1=O 6784756 RTBUSRFAXSCXRZ-UHFFFAOYSA-N 379.463 2.572 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1nc2ccccc2nc1C 46114664 IIJYGOZBSXRHJA-AWEZNQCLSA-N 399.472 2.889 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 10449893 WJVJWLWREKMMBY-KBPBESRZSA-N 376.453 2.958 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 29704490 KBRDVTGWEWOFRC-ZDUSSCGKSA-N 384.432 2.845 0 40 GFAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32797283 UXENSPPBZGRRTI-GDBMZVCRSA-N 389.496 2.998 0 40 GFAB Cc1ccsc1CN(C)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 32751511 UCOHUDVRPQDNPZ-UHFFFAOYSA-N 380.535 2.709 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1C 53054656 QCKBFDYLZZZAGI-UHFFFAOYSA-N 379.342 2.826 0 40 GFAB COc1cc(-c2noc(CN3CCN(C(=O)N4CCCCC4)CC3)n2)ccc1C 89647087 XDYIZXZYGJIPMN-UHFFFAOYSA-N 399.495 2.777 0 40 GFAB O=C1C[C@@H](Cc2ccc(NC(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2)C(=O)N1 175975427 BMHNSPNYLCUTLE-RBUKOAKNSA-N 391.471 2.988 0 40 GFAB C[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(=O)NC(=O)NC(C)(C)C 22633844 CZSVQZASHOYUBX-VUHVRTRXSA-N 398.872 2.618 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2cc(C(C)C)no2)c(OC)c1OC 25166747 FEUKMDVPNPPGRG-UHFFFAOYSA-N 377.441 2.894 0 40 GFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(Br)c1 955324 JELQNANJXILDEP-AWEZNQCLSA-N 393.241 2.901 0 40 GFAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 23637428 HKMRBICUHXUSPY-KGLIPLIRSA-N 380.400 2.550 0 40 GFAB C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(-n2ccnc2)cc1 12541477 NSYLYKHGRGUCIQ-OAHLLOKOSA-N 387.443 2.539 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 25153189 QKGGEQDTEFBEHB-MRXNPFEDSA-N 397.450 2.536 0 40 GFAB C[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)c(Cl)c1 55746119 RXDVUFCWXNLYIB-LLVKDONJSA-N 389.814 2.750 0 40 GFAB Cc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1C(C)C 43753274 BFWUALIGRQUPCC-LLVKDONJSA-N 377.363 2.619 0 40 GFAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 107334418 YTSXTFULSLBOKO-KKUMJFAQSA-N 380.485 2.776 0 40 GFAB C[C@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccccc1NS(C)(=O)=O 56962079 VZCMFBOJCHKFGO-NSHDSACASA-N 392.868 2.850 0 40 GFAB O=C(NC1CC1)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 57436544 UVVTWMSZFDFINX-OAQYLSRUSA-N 377.488 2.860 0 40 GFAB CCSc1ncc2c(=O)n([C@@H](CC)C(=O)N3CCC(C)CC3)cnc2n1 20572906 DQEMHZUVDGRVPS-AWEZNQCLSA-N 375.498 2.508 0 40 GFAB CCOc1ccccc1N(CC(=O)NC)S(=O)(=O)c1ccc(SC)cc1 113937345 ZEYXTZPIAPQYQD-UHFFFAOYSA-N 394.518 2.749 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 58191583 JYSZENVDZUVXNV-DOTOQJQBSA-N 379.865 2.763 0 40 GFAB O=C(CSc1ncc2ccccn12)NCc1ccccc1CN1CCOCC1 27667370 DDOZDRPZPCDQNI-UHFFFAOYSA-N 396.516 2.575 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)Sc2nncs2)ccc1N1CCN(C)CC1 58305375 NCFVYWLBSTXUCK-CYBMUJFWSA-N 377.539 2.718 0 40 GFAB O=C1c2ccccc2CS(=O)(=O)N1Cc1cc(Cl)cc2c1OCOC2 58377035 CTORKPQVQZQTBC-UHFFFAOYSA-N 379.821 2.692 0 40 GFAB CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ncn(C)c1Cl 27961237 KCVIYVIGVNBMGK-UHFFFAOYSA-N 395.872 2.723 0 40 GFAB Cc1ccccc1CNC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22385349 ROEYFOXIDZBSRO-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB Cc1cc(CNC(=O)CCn2nnc3ccccc3c2=O)c2[nH]c(C)c(C)c2c1 58418924 AGFRAWLHZLYABA-UHFFFAOYSA-N 389.459 2.905 0 40 GFAB COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1S(N)(=O)=O 12775058 CSTFCPGZXFALJE-UHFFFAOYSA-N 380.491 2.690 0 40 GFAB CCOc1ccccc1-c1noc(CN2Cc3ccccc3C[C@H]2C(N)=O)n1 12889035 ZNKOXBJXJVRVBQ-KRWDZBQOSA-N 378.432 2.548 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)NCc1ccccc1OC(F)F 12827550 WCMNYJJBIQTENL-UHFFFAOYSA-N 379.388 2.766 0 40 GFAB CCc1ccc(OC[C@@H](O)Cn2c(=O)c3ccccc3n3nc(C)cc23)cc1 12912256 QVHQIHBSIGUEPK-KRWDZBQOSA-N 377.444 2.960 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccsc2)N2CCOCC2)cc1OC 39978482 ZFFLKOKTIFBNSE-INIZCTEOSA-N 376.478 2.569 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)C1 4477845 JUWLXUNHCPLGRK-QHRIQVFBSA-N 377.872 2.612 0 40 GFAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cccc2c1CCCC2 14190589 VSEVFEBLFHNOAR-UHFFFAOYSA-N 389.455 2.576 0 40 GFAB COc1ccccc1CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439104 NMJJLXBELSQFNZ-UHFFFAOYSA-N 388.489 2.598 0 40 GFAB Cc1c(CC(=O)N2CCC(O)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 6624561 DUPKYVIRGQBBKJ-UHFFFAOYSA-N 385.460 2.731 0 40 GFAB biogenic Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCCN1CCOCC1)CO2 6758949 FEZKHTPUJYEYLB-UHFFFAOYSA-N 398.503 2.854 0 40 GFAB C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@H](c2ccccc2)O1 67556285 CPZUIOYDIPUXGH-QFBILLFUSA-N 390.443 2.799 0 40 GFAB COC(=O)CCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 16059569 VWCGBEUWESIHIG-UHFFFAOYSA-N 375.425 2.887 0 40 GFAB Cc1ccc(-n2nnnc2SCc2cccc(S(=O)(=O)N(C)C)c2)cc1 9459979 HJJTYIFQNHMJTH-UHFFFAOYSA-N 389.506 2.513 0 40 GFAB CC(=O)c1ccc(-n2c(C)cn(CCS(=O)(=O)c3ccccc3)c2=O)cc1 84257604 BLDVWJYEAMXEEC-UHFFFAOYSA-N 384.457 2.624 0 40 GFAB CCOC(=O)c1ccc(OCc2nnc3n(CC)c(=O)c4ccccc4n23)cc1 29373001 CJVXPMJTSVLTSZ-UHFFFAOYSA-N 392.415 2.820 0 40 GFAB CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(Cn2cnnn2)n1 508674343 ZBFSFMMBDDFCDF-CYBMUJFWSA-N 379.218 2.643 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCC2)cc1C 408607568 NEJSQGQTPGSMEI-OAHLLOKOSA-N 382.526 2.900 0 40 GFAB Cc1cncc(C(=O)N2CC3(C[C@H](COCc4ccccn4)CCN3C)C2)c1 306145168 ZZWJSZILGREJOJ-GOSISDBHSA-N 380.492 2.538 0 40 GFAB Cc1nc(CC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)cs1 72374407 SQPBWMWSVNZYDU-UHFFFAOYSA-N 398.532 2.935 0 40 GFAB COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2CC[C@H](N)C2)cc1 152478800 QLPJRUKZLWXITH-SFHVURJKSA-N 376.460 2.650 0 40 GFAB CCOC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1oc(CO)cc(=O)c1O 71282983 VQZGDQNYAFQSDR-MRXNPFEDSA-N 376.405 2.710 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 120790618 SIBQYBLBIVSCME-UHFFFAOYSA-N 379.381 2.910 0 40 GFAB C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)N=c1[nH]c2ccccc2[nH]1 61984097 OTOSPZCSMXZWEN-LBPRGKRZSA-N 379.445 2.545 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1 72376276 SGJHCFWAIWXNLZ-INIZCTEOSA-N 382.449 2.536 0 40 GFAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892371 ONPFIOYBMAVEDD-UHFFFAOYSA-N 378.450 2.877 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1 226044652 PYGRUZZRNSHACY-UHFFFAOYSA-N 390.505 2.986 0 40 GFAB O=C(NCc1cccs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225822167 FYOQNCKKQGKDRE-UHFFFAOYSA-N 398.488 2.891 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc21 225692264 OTWIXPRUNGKJRV-UHFFFAOYSA-N 397.566 2.627 0 40 GFAB c1ncc(-c2ccc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)cn2)cn1 49155332 MSUBJKQFIHICGX-SFHVURJKSA-N 378.436 2.905 0 40 GFAB biogenic,in-vitro COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224238307 PTNOYEWZZOTLNV-UHFFFAOYSA-N 396.896 2.850 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)C1 222614876 CUQNYQWGBFHGQX-MJGOQNOKSA-N 396.553 2.960 0 40 GFAB O=C(c1cccs1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143015 BPTLSQGIUXATFZ-LJQANCHMSA-N 388.514 2.904 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)Nc2ccc(-n3cccn3)cc2)[C@@H]1c1ccc(F)cc1 96181654 CSDQJZZTNCFFGN-VQTJNVASSA-N 394.406 2.548 0 40 GFAB CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc1C 257296410 RCSCFAMSWWYDPE-SFHVURJKSA-N 395.507 2.577 0 40 GFAB CCc1ccc([C@@H](CO)NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 537785756 BWRCRDHXCKBLLK-IFXJQAMLSA-N 393.480 2.790 0 40 GFAB CC(C)(C)n1cc(CN2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)nn1 364587448 CRLLPSXHJHHJSU-OAHLLOKOSA-N 397.401 2.605 0 40 GFAB C[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1cccs1 90601975 XQZORVPAYVMJBW-ZDUSSCGKSA-N 376.297 2.697 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)n1 390828220 PLYJPIVNQJKLHR-LBPRGKRZSA-N 385.848 2.728 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575604845 CEVMJZNOYFTFTF-CQSZACIVSA-N 394.880 2.579 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(Oc2nncs2)CC1 828147045 MKYKZIPZTHUEKF-UHFFFAOYSA-N 387.440 2.761 0 40 GFAB CCCn1nccc1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119440 GSAYUTAZXPFPNZ-QFIPXVFZSA-N 396.491 2.721 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)cc1 800604 BSDSPHYGCJOSSR-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 14359919 DOKTVROZAJBGFC-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 18076218 AWFJVGYWNHKTIS-UHFFFAOYSA-N 396.896 2.628 0 40 GFAB Cc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)CC[C@H]2CCCO2)on1 19123442 VPIBFVAZHYMAAG-OAHLLOKOSA-N 385.468 2.932 0 40 GFAB Cc1nonc1CN(C)C(=O)c1cc(Cn2nccc2C)nc2ccccc12 19238533 SDGIMEWDRAKIND-UHFFFAOYSA-N 376.420 2.752 0 40 GFAB Cn1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc2cc(F)ccc21 19289756 ZVKCUKIJZOUHOO-SFHVURJKSA-N 379.439 2.730 0 40 GFAB CCc1c(C)nc([C@@H]2CCCN2C(=O)Cc2ccc(OC)c(OC)c2)[nH]c1=O 19521582 BPPKWVLHIKXXAB-INIZCTEOSA-N 385.464 2.564 0 40 GFAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 19579750 CAISYJIJDALJRE-QRTHJKPMSA-N 380.448 2.839 0 40 GFAB Cc1onc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1CN(C)C 19663474 RBQGXRVXWLDWGQ-UHFFFAOYSA-N 385.493 2.617 0 40 GFAB Cc1occc1-c1nc(NCCCN2CCOCC2)ncc1-c1cnccn1 19583079 MSQSCNVINBCQCT-UHFFFAOYSA-N 380.452 2.636 0 40 GFAB CN(Cc1ccsc1)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7335801 SIICVFJKLKVRJS-UHFFFAOYSA-N 388.518 2.626 0 40 GFAB Cn1cnc(S(=O)(=O)N2C[C@H]3[C@@H](Oc4ccc(Cl)cc4)CC[C@H]3C2)c1 1848356859 OMJARNBBHRZBAO-MAZHCROVSA-N 381.885 2.552 0 40 GFAB COc1ccc(N2C(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4393707 OCLZQFYWBOLKDG-RTBURBONSA-N 386.473 2.924 0 40 GFAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2onc3c2CCCC3)cc1 8976673 JQUBEASMDSOWPR-UHFFFAOYSA-N 378.450 2.755 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)cc1OC 12415182 DDHSLDGXZCQAGL-UHFFFAOYSA-N 396.428 2.662 0 40 GFAB Cn1nc(-c2ccncc2)cc1CNC(=O)c1cc(-c2ccc(F)cc2)nn1C 1775966620 PUUKWHBANQSJNJ-UHFFFAOYSA-N 390.422 2.952 0 40 GFAB Cn1cc(-c2cnc(OC3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)cn1 2069628882 LOKGQZUKZHOIOR-UHFFFAOYSA-N 391.479 2.982 0 40 GFAB Cc1cc(C)n(-c2ccc(CCC(=O)N3CCN(c4ncccn4)CC3)cc2)n1 225605034 KFLHNRJDBQHLDJ-UHFFFAOYSA-N 390.491 2.561 0 40 GFAB Cc1cccc(OCC(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)c1 585147204 ZCNIUIJHUMWQJP-HNNXBMFYSA-N 392.253 2.606 0 40 GFAB CCc1c(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cnn1-c1ccccc1 30623337 FLOJFLNKGHZTAR-UHFFFAOYSA-N 395.507 2.798 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(C)C 36569356 PTTBSFBTTSPVPR-WBVHZDCISA-N 390.871 2.918 0 40 GFAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15578852 AGFZCWLTGVUZHY-UHFFFAOYSA-N 382.464 2.517 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCc3nc(N)c4ccccc4n3)CC2=O)cc1 11425184 XILPEQGBKZCRGA-OAHLLOKOSA-N 390.443 2.871 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)Cc2csc(-c3ccc(C)o3)n2)c2ccccc2O1 31890502 UZRNGFVLJRWWGV-KRWDZBQOSA-N 397.456 2.794 0 40 GFAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 45834100 IWHMNHKVEJBTAV-HNNXBMFYSA-N 376.478 2.931 0 40 GFAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ncn3n2)c1 51317047 CUJGLGRUTLMMKS-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 4160184 LXCHGBFVKXGNSG-KRWDZBQOSA-N 382.460 2.724 0 40 GFAB CCn1nc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(=O)c2ccccc21 40790332 ZDVFMDNYGQUZSQ-UHFFFAOYSA-N 394.450 2.514 0 40 GFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 7871832 PXNJQQPYWRJCSK-MRXNPFEDSA-N 390.505 2.817 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1 11866008 FPOOEMCXGFQRQZ-AWEZNQCLSA-N 378.384 2.793 0 40 GFAB biogenic CCCNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1N1CCCC1 10009914 PFQGSSUFFUWORY-UHFFFAOYSA-N 393.553 2.991 0 40 GFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)N1CCc2ccccc21 2658918 YDXMRGBCLCDJIV-KRWDZBQOSA-N 382.441 2.622 0 40 GFAB aggregator Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 57439394 SUNFLSVQVMYVIK-LJQANCHMSA-N 394.519 2.569 0 40 GFAB CCCc1cc(=O)[nH]c(SCc2nc(N)nc(Nc3ccccc3C)n2)n1 9127237 JDVZDAPMRNALLT-UHFFFAOYSA-N 383.481 2.834 0 40 GFAB CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 58141325 USHMOVLFBGLJQG-INIZCTEOSA-N 379.460 2.990 0 40 GFAB COc1ccc(CCNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 798333 JWBNVIYXZJOVGR-UHFFFAOYSA-N 397.427 2.856 0 40 GFAB biogenic CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 29430943 DNDIWCVSTZIHKJ-KRWDZBQOSA-N 396.553 2.962 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22786448 DOTXJHZCSCDTMZ-GOSISDBHSA-N 395.503 2.546 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3[C@H]4CCCC[C@H]34)ncc2C1 100746209 ZVKFOEPPHFFBAQ-LNLFQRSKSA-N 382.508 2.871 0 40 GFAB CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20048012 HDEOESVMTSOLKR-GOSISDBHSA-N 390.461 2.640 0 40 GFAB CC(C)Oc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCS(=O)(=O)C4)cc1 54753571 IEFYEOPFZCLENU-UHFFFAOYSA-N 390.486 2.910 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)NCc1ccccc1F 24830613 JFRCUBOAEQUKQD-JOCHJYFZSA-N 395.434 2.829 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)nc3)CC2=O)c1C 24903882 AFYMPOKQOLLJBQ-KRWDZBQOSA-N 394.475 2.527 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)[C@H](Cc3ccccc3)N(C)C)CC2)c(C)o1 106916372 ZZANCHMOAFNDSN-NRFANRHFSA-N 397.519 2.790 0 40 GFAB Cc1nn(C)c2ncc(CN(Cc3ccccc3)[C@@H](C)CN3CCOCC3)cc12 108366111 JVCQJMPWCSZPCF-SFHVURJKSA-N 393.535 3.000 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 58118765 AFSDMUBMTPSGOJ-UHFFFAOYSA-N 392.381 2.552 0 40 GFAB COC(=O)C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc(C)cc1 44959449 UCGRISLGOYMOEL-HNNXBMFYSA-N 384.461 2.886 0 40 GFAB COC(=O)c1cc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c(F)cc1F 58309936 QRWOFBCTZHXVRC-CHWSQXEVSA-N 398.406 2.943 0 40 GFAB Cc1cc(C)c(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 10833973 HJJQOWMOSFBPRU-QGZVFWFLSA-N 390.505 2.833 0 40 GFAB O=C(NCCSCc1ccco1)c1ccc(S(=O)(=O)C(F)F)cc1 3403563 HSOQDKKUUITQNL-UHFFFAOYSA-N 375.418 2.939 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3553927 SLVZDPOJMHZZSK-UHFFFAOYSA-N 378.432 2.668 0 40 GFAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CCN(c2ccccn2)CC1 13061562 XDOYCICAYNOMPJ-UHFFFAOYSA-N 391.258 2.764 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2s1 13569462 JABLITMWWSXURH-UHFFFAOYSA-N 391.430 2.649 0 40 GFAB COCCN(CCOC)C(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989851 LUHHLPNFDNBQQL-UHFFFAOYSA-N 396.491 2.770 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 13689867 RMRBEIDBKGWIFA-INIZCTEOSA-N 390.509 2.747 0 40 GFAB COc1ccc([C@H](C)NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c(OC)c1 69074431 DYBSTZBLMWOTLG-KSSFIOAISA-N 383.448 2.870 0 40 GFAB CCn1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2CC)n1 28246150 WWWVNHURDVNONB-UHFFFAOYSA-N 386.481 2.921 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 113956975 GZZCVLGTUVNTJS-CQSZACIVSA-N 394.468 2.695 0 40 GFAB Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 6981434 MKTALHSNEVHZHH-INIZCTEOSA-N 392.452 2.844 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 409378092 NGUJYXKXIZZRBO-HNNXBMFYSA-N 382.526 2.900 0 40 GFAB Cc1ccnc(-n2c(S[C@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)c1 5923402 CEWORCSGPUYEIR-CYBMUJFWSA-N 380.473 2.848 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 15425552 VHGWOZKIKVYVID-UHFFFAOYSA-N 399.419 2.609 0 40 GFAB CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 67494057 JPAYTHJOVMKTGO-FQEVSTJZSA-N 393.487 2.997 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)OCc1c(Cl)nc2sccn12 18091818 VPAXINSQHSYFAR-UHFFFAOYSA-N 389.820 2.779 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1C(=O)C[C@]2(CCSC2)C1=O 69159040 SZVFZPKSNMKEMJ-KKSFZXQISA-N 391.533 2.914 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 22327468 PNUMPOCHPJCUNE-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CN1CC(=O)N(CC(=O)c2ccc(Br)cc2)c2ccccc2C1=O 9135271 JHWBODFAQDBMBA-UHFFFAOYSA-N 387.233 2.751 0 40 GFAB O=C(c1ccoc1)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 24440135 TYXSBQPQIDPJGE-UHFFFAOYSA-N 388.489 2.742 0 40 GFAB O=C1CCCCN1CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 95394894 QTJVHZGWLFMRFX-UHFFFAOYSA-N 377.916 2.777 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCn1ccc2c(Cl)cccc21 95480313 HCPCTLDFNDHCNZ-UHFFFAOYSA-N 398.894 2.937 0 40 GFAB COc1ccc(N(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 113961186 SRZLBDWLSQACBK-IIDMSEBBSA-N 380.510 2.546 0 40 GFAB COc1ccccc1C[C@@H]1CCCN1C(=O)NCC1(N(C)C)CCOCC1 73236904 OEANEKCEIPMXKU-SFHVURJKSA-N 375.513 2.523 0 40 GFAB O=S(=O)(NCC1(CCO)CCCCC1)c1ccc2nc(Cl)cnc2c1 95986228 KKMRDSGLJIZFSM-UHFFFAOYSA-N 383.901 2.894 0 40 GFAB COC(=O)/C=C1/CC[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118917862 AHLOUXATKVXJKD-XDLSUCMTSA-N 392.467 2.940 0 40 GFAB OCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408977320 IGFNBPLKOFRNRW-UHFFFAOYSA-N 378.461 2.899 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 408607779 QIYJFPOQZPFOJU-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1cc(Cl)ccc1C(N)=O 60169643 AQGGUGVFQPEIOW-UHFFFAOYSA-N 390.823 2.595 0 40 GFAB COc1cccc(NC(=O)NCC2CCN(c3ccc(C)nn3)CC2)c1OC 70930148 DEOFOBVLJDNENC-UHFFFAOYSA-N 385.468 2.840 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 38756290 WBCLPDMPQMZUCV-QGZVFWFLSA-N 382.432 2.998 0 40 GFAB Cc1cccc(N2CCN(CCCNC(=O)c3n[nH]c4ccccc34)CC2)c1 31234245 NKALBJHBKBGTQP-UHFFFAOYSA-N 377.492 2.813 0 40 GFAB CCOc1cccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222587939 LYACFFLZMZCQJX-UHFFFAOYSA-N 388.489 2.945 0 40 GFAB CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225099580 XAHZZJYPPXUTGT-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 225882088 QIVSGERZUQRZJV-UHFFFAOYSA-N 375.527 2.714 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)Cc2ccccc2OC)CC1 40107967 GWYXWWCGRCENLR-UHFFFAOYSA-N 381.520 2.692 0 40 GFAB COc1ccc(C)cc1NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 47539468 ZYSVOTYOLFBILP-UHFFFAOYSA-N 377.485 2.931 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)N3CCC[C@H](C)C3)c(=O)cc2OC)cc1 96101067 RJEIPNDYMARLMG-GJZGRUSLSA-N 385.464 2.747 0 40 GFAB Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)cn1 257279328 OGBZTJAMPUEEPX-YJBOKZPZSA-N 387.867 2.829 0 40 GFAB CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 260914992 CCIJXKPUVVRGDI-OALUTQOASA-N 378.538 2.804 0 40 GFAB Cn1ncc(NC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1C(F)F 685085141 CYKBZULYGRAMBA-GOSISDBHSA-N 382.386 2.956 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCCc2csc(-n3cccn3)n2)[nH]n1 90703548 FXIVHITWJMNPKS-UHFFFAOYSA-N 394.460 2.700 0 40 GFAB NC(=O)N[C@@H]1CCN(C(=O)c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1 654972264 KJZAQMPVFANUSM-OAHLLOKOSA-N 391.830 2.941 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCc2ccnc(-c3ccncc3)c2)cc1 390827559 ZESNRUVZQGGEAZ-UHFFFAOYSA-N 395.484 2.796 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)Cn1cc(Br)ccc1=O 47832094 XUTLEVKUVLIVBR-UHFFFAOYSA-N 375.675 2.984 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 11367912 SQLWVSZLWGPYKZ-ABAIWWIYSA-N 396.896 2.945 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3OC)C2)c(C)n1 12239627 DOUJPPQJPYNLQP-MRXNPFEDSA-N 393.509 2.700 0 40 GFAB COc1cc(C(=O)Nc2cccc(C)c2)c(N(C)S(C)(=O)=O)cc1OC 13582553 SCFWPRYMEUSFGU-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)NCCN(C)c1ccccc1 16737583 WDURFZJJRKWCBI-UHFFFAOYSA-N 399.310 2.872 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 18149015 UUHJGHWEPWMUAE-CYBMUJFWSA-N 389.452 2.524 0 40 GFAB COc1ccc(C(=O)N2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)cc1 19553174 RWVBYBBIVVIIQQ-AEFFLSMTSA-N 375.432 2.608 0 40 GFAB CN(C)CC(=O)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19696243 FRWREPXCDCRBLF-HXUWFJFHSA-N 387.499 2.531 0 40 GFAB CCN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(OC)c(C)c1 19930006 CWXLYUARECLGEL-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCC(=O)NCc1ccccc1 2774135 AOKUCNRLGKWSOR-YVLHZVERSA-N 397.456 2.529 0 40 GFAB O=C(c1n[nH]cc1Cl)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12126618 CXMOHNSAHBIDMN-MRVPVSSYSA-N 399.764 2.539 0 40 GFAB N[C@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ncccc31)C2)c1ccccc1 247755057 VYOVRGJYLSQEMX-WFXMLNOXSA-N 390.487 2.621 0 40 GFAB CC(C)N1C[C@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1=O 19447646 QHCPDTGNTGAIFW-MVBMGLOESA-N 399.535 2.565 0 40 GFAB C[C@@H](NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1)c1cc2ccccc2o1 30587924 PUXIHOGWIJTPMX-CQSZACIVSA-N 399.472 2.858 0 40 GFAB COCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 408999333 RAOIFMJZNSLPIT-KRWDZBQOSA-N 375.469 2.756 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@H]3C[C@]32C(=O)N2CCCC2)c(C)cc1Cl 2056225253 NGIIKSBBEQYTHF-KBXCAEBGSA-N 382.913 2.732 0 40 GFAB Cc1c(Cl)cccc1C(=O)N1CC[C@H]2CN(C3CCOCC3)CCO[C@H]2C1 1565555100 RREBPXBPARFWBK-JXFKEZNVSA-N 392.927 2.990 0 40 GFAB COC(=O)c1sc(NC(=O)c2ccc3c(c2)OCCO3)c(C(=O)OC)c1C 1017544 GFWWCAYLBVSHNU-UHFFFAOYSA-N 391.401 2.653 0 40 GFAB Cc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952379 AIQRIPGQMLDBJC-UHFFFAOYSA-N 379.460 2.527 0 40 GFAB CC(C)(C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21 4359053 KLCPRDMIPJHLHT-UHFFFAOYSA-N 391.427 2.813 0 40 GFAB O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)o1)c1ccccc1 4354160 WINZUZOOIDYKSJ-UHFFFAOYSA-N 394.456 2.681 0 40 GFAB CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccccn3)[nH]c2=O)cc1 5082056 ITTYQUQWGPHZSR-UHFFFAOYSA-N 397.460 2.690 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 5136890 NCUGVAQUBRJRHN-UHFFFAOYSA-N 398.481 2.647 0 40 GFAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)cc1 9573717 ZIABSHYTIIKGEN-UHFFFAOYSA-N 382.445 2.658 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccco1 10331081 NJAOFDYYLVSQIS-CYBMUJFWSA-N 385.342 2.536 0 40 GFAB COC(=O)c1ccc2c(=O)n(CCCC(=O)N3CCCCC3)c(=S)[nH]c2c1 12416137 STICWIXQFQEKIB-UHFFFAOYSA-N 389.477 2.638 0 40 GFAB COc1cc(C(=O)N2CCC3(CC2)CCN(Cc2cccc(C)c2)C3=O)on1 2055785572 QCIYYOFLAJCRJG-UHFFFAOYSA-N 383.448 2.647 0 40 GFAB c1cncc(-c2ccc(N3CCN(Cc4nc5c(s4)CCC5)CC3)nn2)c1 1775974575 KEGBYUZCFQBAEU-UHFFFAOYSA-N 378.505 2.806 0 40 GFAB CC1CCC(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)CC1 49405853 BHXYOWHVCNHYHS-UHFFFAOYSA-N 395.507 2.814 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100074404 FDNWFVRBCSOHLB-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB CSCc1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)o1 31169292 BAUWLDFEEALIRZ-UHFFFAOYSA-N 382.486 2.513 0 40 GFAB CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 20412645 XOZJBWUDDWPQLJ-UHFFFAOYSA-N 396.944 2.868 0 40 GFAB Cc1ccc(NCc2nnc(SCC(N)=O)n2C[C@H]2CCCO2)cc1Cl 915542 DNHRRPATDVVMQJ-CYBMUJFWSA-N 395.916 2.608 0 40 GFAB O=C(NCCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 7987649 VLTQAAIKKGEMIP-UHFFFAOYSA-N 389.459 2.677 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 932348 OPJIAIVRUHASJL-STQMWFEESA-N 391.497 2.561 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 101416293 MWPJGZIMRRIFHU-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)Cn2cnc3ccccc3c2=O)c(C)c1 6547046 IWSJGPWMPVSTAR-INIZCTEOSA-N 393.443 2.892 0 40 GFAB CCN(CC)C(=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 6948141 AIXUDMBKZBUEBW-UHFFFAOYSA-N 379.504 2.789 0 40 GFAB Oc1ccccc1N1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 21275436 JDOGLOQVBOISBE-QGZVFWFLSA-N 376.884 2.745 0 40 GFAB Cc1cc(C)c2nc(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(C)c2c1 32776047 NOKTWMQZLAIWMT-HUUCEWRRSA-N 392.546 2.944 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)NCCc2cn3ccccc3n2)CC1=O 32893806 JFCHDQZRDDKOGG-QGZVFWFLSA-N 376.460 2.609 0 40 GFAB CN(C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccccc1 10285767 BUBXZDIEKVBMKV-UHFFFAOYSA-N 397.294 2.878 0 40 GFAB COc1ccccc1[C@@H]1c2c(-c3ccc(F)cc3)nnc(O)c2Nc2nnnn21 9202033 WSUAIUMSEAVYJU-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 103463813 HGZAWDIVNTUUFU-CQDKDKBSSA-N 382.382 2.885 0 40 GFAB Cn1c(SCC(=O)NCC2(c3ccccc3)CCOCC2)nnc1C1CC1 53428165 PLMINRREGKUSLO-UHFFFAOYSA-N 386.521 2.649 0 40 GFAB Cc1cc(N2CCN(C(=O)c3nccc(C)n3)CC2)nc(NC2CCCCC2)n1 56906851 NEDBSAIWZRKJQR-UHFFFAOYSA-N 395.511 2.590 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n2c(SCc3cn(C)nn3)nnc12 89821186 RSLQOWVLPAKQEH-UHFFFAOYSA-N 383.481 2.511 0 40 GFAB COc1cccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)c1OC 23234534 AWQAJKTVJFDXRN-UHFFFAOYSA-N 391.556 2.620 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccc(F)cc2)c1 58173897 YUBBYRCUSATHBN-UHFFFAOYSA-N 390.480 2.912 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccn(COc2ccc(Br)cc2)n1 27972980 ZCEGVCOLVKDTJB-AWEZNQCLSA-N 380.242 2.591 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2nc3ccccc3s2)CC1 23872960 YXYJWPWTXCTCKX-SFHVURJKSA-N 395.484 2.781 0 40 GFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1Cl 24496184 YOGIOSUBXREBHR-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)Nc1cn[nH]c1)NC(=O)OC(C)(C)C 58149125 LEAANUBXOWRJGE-CQSZACIVSA-N 375.429 2.806 0 40 GFAB O=C(NCc1cccc(Cn2cncn2)c1)C1(c2ccccc2)CCOCC1 58293754 FOHBCMULWGAHBV-UHFFFAOYSA-N 376.460 2.691 0 40 GFAB COCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 2265113 JSUVVEYHYBYGOP-UHFFFAOYSA-N 382.445 2.646 0 40 GFAB CCOc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(F)cc2)cc1 113937067 INHPMYGJGQAOSK-UHFFFAOYSA-N 392.452 2.698 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 8240190 PRVSBKWJPOIHKR-UHFFFAOYSA-N 390.530 2.692 0 40 GFAB O=C(CN1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1)Nc1ccccc1Cl 12746245 HVCYWHDSVIGHGA-LLVKDONJSA-N 390.698 2.617 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1C 408551427 HUCCRBIWNNZBSE-LSDHHAIUSA-N 376.478 2.548 0 40 GFAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(C)c12 12782511 ZDUQLPLHRFRCSY-GFCCVEGCSA-N 395.550 2.865 0 40 GFAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)o1 3422716 MIIQZOFJMUKKOE-AKYRVGECSA-N 386.473 2.746 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)cc1 13556584 MZZCTSOXAJBWAO-SFHVURJKSA-N 399.472 2.841 0 40 GFAB CN(C)S(=O)(=O)c1cccc(-c2nnc(S)n2-c2ccc(F)cc2)c1 6180430 WZTDLWJUGHDBMQ-UHFFFAOYSA-N 378.454 2.612 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)c1ccc(F)cc1 6112012 KPKXOOCDQGQGLK-NRFANRHFSA-N 383.423 2.954 0 40 GFAB CCOC(=O)c1csc(N2N=C(c3ccco3)C[C@@]2(O)C(F)(F)F)n1 5243936 XZIOXMAOPVZRRW-CYBMUJFWSA-N 375.328 2.778 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)N1CCN(C(=O)C2CC2)CC1 14182659 DUQDPHMXBDPTKI-UHFFFAOYSA-N 398.532 2.662 0 40 GFAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 14163070 IQHFDEBRQSCKSQ-GFCCVEGCSA-N 382.482 2.584 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CCCCN1C(=O)c3ccccc3C1=O)C2=O 4514794 AQAHFZIXMAZNLH-SPLOXXLWSA-N 383.448 2.564 0 40 GFAB COCCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 4704071 BZLRVTMQSOYWSV-GOSISDBHSA-N 399.422 2.947 0 40 GFAB COCCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 409177703 GLHJZOXOTPWZJZ-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB COc1ccccc1/C=C/C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 4889346 CBWXKVUUNQETJT-LPQFERQCSA-N 389.415 2.870 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 18109086 HMKRTESMGAUHKI-ZDUSSCGKSA-N 375.446 2.661 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1 6943401 FLUTUTKTVDQSIZ-FZMZJTMJSA-N 384.379 2.849 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 15364796 AJKSZKOZFGRSTM-UHFFFAOYSA-N 377.462 2.790 0 40 GFAB CCOc1ccccc1OCCCC(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 15617015 DFPHCMYGJVNVSI-HXUWFJFHSA-N 398.459 2.785 0 40 GFAB CC1(C)Cc2nc3sc4c(NCCN5CCOCC5)ncnc4c3cc2CO1 19461361 XJFLJIKFNDTFEZ-UHFFFAOYSA-N 399.520 2.835 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 84129105 MPUWRLCVMLIDSH-GOEBONIOSA-N 397.541 2.715 0 40 GFAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 95469801 VRXQKZRGHRZMNK-ICSRJNTNSA-N 380.444 2.910 0 40 GFAB COc1ccc(N2C3=[N+](CCCC3)C[C@@]2(O)c2ccc3c(c2)OCCO3)cc1 26505809 PEOLIGAMMULHPN-JOCHJYFZSA-N 381.452 2.727 0 40 GFAB O=c1/c(=C/c2cccc(Br)c2)sc2nc(-c3ccncc3)nn12 28629183 IORMELVYZYHPFA-LCYFTJDESA-N 385.246 2.523 0 40 GFAB Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)n1 36619304 CZMMXZSQGWPIGX-ZDUSSCGKSA-N 395.854 2.768 0 40 GFAB Cn1cc(-c2nc(C(=O)N3CCC[C@](CO)(c4ccccc4)C3)cs2)cn1 513109816 GDASYBGFXXVTOU-FQEVSTJZSA-N 382.489 2.710 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N(Cc2cnn(C)c2)Cc2cnn(C)c2)cc1 36615312 VKBOAILUJYXXCR-UHFFFAOYSA-N 387.509 2.668 0 40 GFAB Cc1cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c2cnn(C(C)C)c2n1 518755516 BYDIVNQZFKWSKS-UHFFFAOYSA-N 393.495 2.598 0 40 GFAB CN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(=O)(=O)c1ccccc1 408630221 PQBRSXMZMXQVGG-UHFFFAOYSA-N 398.488 2.528 0 40 GFAB O=C(O)c1ccc2c([C@@H](C(=O)O)N3CCOCC3)cn(Cc3ccccc3)c2c1 36358017 BHDXVSGXTCCJLC-FQEVSTJZSA-N 394.427 2.846 0 40 GFAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 72349788 RCUDIDILVFMABW-INIZCTEOSA-N 375.432 2.590 0 40 GFAB COc1ccc(S(=O)(=O)N2CCc3c(c(-c4ccccc4)nn3C)C2)cc1 72346368 DGUFOFKKMGHBTR-UHFFFAOYSA-N 383.473 2.843 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 218480678 ABQNVLMROCNAHX-ZJOUEHCJSA-N 387.501 2.751 0 40 GFAB CS(=O)(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 32769239 APWVOKMVQTYFBD-MDWZMJQESA-N 384.457 2.634 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(F)cc1 44934309 WVFCPKVCWJHAGY-ACJLOTCBSA-N 392.452 2.620 0 40 GFAB COc1ccc(N(CCCC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1 222996967 GLGIHMQRRNUTIX-UHFFFAOYSA-N 376.478 2.904 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)cc1 225723596 WESXTKZUPFPKSD-AWEZNQCLSA-N 378.475 2.622 0 40 GFAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)s1 223125497 LDBATUAWBHHSOS-MSOLQXFVSA-N 388.562 2.756 0 40 GFAB COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 96228767 WNEAUELQJMHAMW-QHCPKHFHSA-N 397.519 2.678 0 40 GFAB COCCNC(=O)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96266758 GIKJAPJHBMVTBE-UHFFFAOYSA-N 379.445 2.896 0 40 GFAB Cc1cc(CNC(=O)c2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1 96121287 CLRBRGSXUYVCBF-UHFFFAOYSA-N 380.370 2.570 0 40 GFAB CC(C)CC(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1ccccc1)Cn1ccnc12 96144592 BTXRRWFVRLKAIQ-SFHVURJKSA-N 396.491 2.784 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc1O2 96053356 XFOKVPWVPQYBQR-MRXNPFEDSA-N 394.537 2.652 0 40 GFAB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]21 248155460 YYVYQVXDOZCAFN-SFGWALBWSA-N 382.508 2.671 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3cn(C)c4ccccc34)C2)c1F 253472763 PGRRRNXDZPUBGH-OAHLLOKOSA-N 382.439 2.892 0 40 GFAB O=C(CSc1nnc(COc2ccccc2F)[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 250229791 DBUBGJSOCMHDCK-OBJOEFQTSA-N 376.457 2.920 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@@H](c3ccc(C)cc3)[C@@H]2C(=O)O)c1F 656159904 DQNSUFYHJFTEGE-KBXCAEBGSA-N 393.436 2.774 0 40 GFAB CNS(=O)(=O)c1ccc(NC(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 683162103 GQAJNXNKMQTAMY-HUBLWGQQSA-N 389.481 2.865 0 40 GFAB COc1ccc(Br)c2[nH]c(C(=O)N(C)CCN3CCCC3=O)cc12 602833123 MMQOMEQYXDXJKG-UHFFFAOYSA-N 394.269 2.633 0 40 GFAB COc1cc2c(nn1)CCN(C(=O)[C@@H]1Cc3ccccc3O[C@H]1C(F)(F)F)C2 626147658 JNZNCMWMNUQPDO-CXAGYDPISA-N 393.365 2.552 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)CO[C@@H](CN)C3)nn1-c1ccccc1Cl 1122289504 ZRSAZTNZXFEKTB-OAHLLOKOSA-N 388.899 2.804 0 40 GFAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3C)cc2C1 96096303 OTZBKYYNAQHBFO-UHFFFAOYSA-N 390.461 2.929 0 40 GFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OCO)[C@H]1c1cccc(Cl)c1Cl 390823048 RALOIFMNDGJUPL-AWEZNQCLSA-N 386.231 2.894 0 40 GFAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCn2ccc(C)n2)cc1 12145665 DVKFZNLLSQXPOP-IBGZPJMESA-N 379.464 2.970 0 40 GFAB COc1ccc(C2(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1 12238797 CTOCTKSDHDBECD-UHFFFAOYSA-N 390.486 2.576 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1 12741719 WEDIAMUSAFCBIE-UHFFFAOYSA-N 380.444 2.547 0 40 GFAB CCC[C@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)c1ccccc1 18135460 XZRFFRKHDKHMES-SFHVURJKSA-N 379.460 2.841 0 40 GFAB O=C(Cc1ccncc1)C1CCN(C(=O)c2ccnc(N3CCCC3)c2)CC1 19405056 UYYDSDVGGANCEZ-UHFFFAOYSA-N 378.476 2.741 0 40 GFAB CN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1 19589866 WBTBTDFNXSZPEC-LJQANCHMSA-N 382.899 2.712 0 40 GFAB Cc1nnc(SCC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)o1 12086980 FBQFYVQWTGZKKL-AWEZNQCLSA-N 375.450 2.659 0 40 GFAB CCc1nc2cc(NC(=O)[C@@]3(C)CC(=O)N=C4C=C(C)C=CN43)ccc2n1C 12147377 HTGYWOMSVOFMJL-OAQYLSRUSA-N 377.448 2.937 0 40 GFAB CN1C[C@H](C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1=O 12145566 ZVNCHBJDNDIWQI-DYVFJYSZSA-N 384.455 2.619 0 40 GFAB O=C1CN(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2ccc(C(F)(F)F)cc2)CCN1 244909757 ATXGLTMIKYUJNB-XYPWUTKMSA-N 396.413 2.665 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CCN(Cc2ccccc2)CC1 32797569 ZGDCDQJSJXSVEW-UHFFFAOYSA-N 395.322 2.956 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(=O)O 13315604 WMDDEVLHDBZUPF-UHFFFAOYSA-N 388.489 2.768 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN(C(C)=O)C2)cc1OCc1ccncc1 36392084 APUQVYIQBQPXJK-KRWDZBQOSA-N 383.448 2.866 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995080 AKYFICDDEMTCQZ-LLVKDONJSA-N 397.298 2.935 0 40 GFAB COc1ccccc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840603 OLEZTFAYTBWLBN-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc(C(F)(F)F)cc1 8954580 DXLCMHBPRSXXSI-UHFFFAOYSA-N 377.322 2.952 0 40 GFAB CN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc21 13006741 MZLZFQKEAQPOOV-UHFFFAOYSA-N 385.895 2.698 0 40 GFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1c(C)noc1C 206799972 OHFLNUZTZUUEQX-WMLDXEAASA-N 390.411 2.585 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)N[C@@H](c1cccnc1)C1CCOCC1 225618700 MLDFITKDNGDDMB-HXUWFJFHSA-N 388.489 2.530 0 40 GFAB Cn1cc(-c2cncc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)c2)cn1 575414302 CUYYNDGLHKURJV-UHFFFAOYSA-N 380.832 2.753 0 40 GFAB Cc1ccccc1/C=C/C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147724 UTLNJSPMNZBTFU-JLHYYAGUSA-N 397.500 2.858 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cncc(N2CCCC2=O)c1 585150164 BCRFZRLEHPLLTM-UHFFFAOYSA-N 379.869 2.649 0 40 GFAB CSCC[C@@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O 207894458 RBIVSGQDCLUZKP-GFCCVEGCSA-N 385.283 2.726 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](c3ccc4c(c3)CCO4)C2)cc1 585148881 KLADHEOHXLQZQT-KRWDZBQOSA-N 387.457 2.586 0 40 GFAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NS(=O)(=O)c2cccnc2)C1 77200263 RVZUVIJZVOXILN-JKSUJKDBSA-N 375.450 2.920 0 40 GFAB CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 35855757 CMYPWYFYCZTSCH-ORYQWCPZSA-N 379.504 2.719 0 40 GFAB Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 932461 HFWUJPSESPAYQV-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C)cc1OC 32094651 GOEQCVLHHVBAEB-UHFFFAOYSA-N 392.477 2.650 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(N4CCOCC4)nc3)c2O1 28958636 ORVQVZKMGGUHBH-UHFFFAOYSA-N 383.448 2.649 0 40 GFAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(=O)Cc1ccccc1 7977419 YZMAXIGNJWROEJ-UHFFFAOYSA-N 379.334 2.677 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 8433851 FFQXYVLIAOROJE-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1ccccc1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 8851127 HSRBEQKNSSHDEQ-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB Cc1nc2ccccc2c(C)c1C(=O)OCCCn1cnc2c(N)ncnc21 58003754 QHRDDSIZRWASJE-UHFFFAOYSA-N 376.420 2.821 0 40 GFAB CCCc1cc(C(=O)OCC(=O)Nc2sc(CC)cc2C(=O)OCC)[nH]n1 32905959 ULTDHCWFNRUMTF-UHFFFAOYSA-N 393.465 2.958 0 40 GFAB CCOC(=O)CSC1=N/C(=C/c2cn(C)nc2C)C(=O)N1C1CCCCC1 2785842 KWFKLBANTWNUDS-MHWRWJLKSA-N 390.509 2.897 0 40 GFAB COC(=O)N(C)C[C@@]12C=C[C@](C)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 100351614 VLTDCCSJLCASIJ-VHSXEESVSA-N 377.051 2.699 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c(Cl)c1 9926484 HXHWIMQSLUGOIS-CQSZACIVSA-N 382.811 2.824 0 40 GFAB Cc1nnn(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccc6c(c5)OCO6)(C4)C2)C3)n1 101095415 NJJMRSHUKAXXAS-RCRDTURJSA-N 381.436 2.644 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c(Cl)c1 89616676 LFHFBRWVAUJPIK-CQSZACIVSA-N 381.885 2.808 0 40 GFAB Cn1c(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc(Cl)c1Cl 53351813 QVJMCEKDJAUYBN-UHFFFAOYSA-N 381.263 2.762 0 40 GFAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324739 NXRCPBCWHVVKGP-INIZCTEOSA-N 378.425 2.535 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(C)(C)C)cc1 22531940 IAOLZJWOVGTZCV-NVXWUHKLSA-N 395.569 2.680 0 40 GFAB Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1NS(C)(=O)=O 55694359 WOZHQMOVVHDRGK-OAHLLOKOSA-N 376.478 2.872 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)ccc21 23294914 NCMRSBODPKHALO-KRWDZBQOSA-N 377.444 2.896 0 40 GFAB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)cc1COc1ccccc1F 2110273 DSBIRTBUTMGDJM-QFBILLFUSA-N 397.406 2.825 0 40 GFAB biogenic Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1C(=O)c2ccccc2S1(=O)=O 28297125 QZQCSHVCZIZQKZ-INIZCTEOSA-N 398.484 2.772 0 40 GFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(OC)cc3OC)N2C1=O 16734993 UJWWRNFCTBSFNU-HOCLYGCPSA-N 390.461 2.916 0 40 GFAB COc1cc(-c2nnc(S)n2-c2ccc(C(=O)O)cc2)cc(OC)c1OC 2388713 BDIZPKSQWYVRKR-UHFFFAOYSA-N 387.417 2.947 0 40 GFAB Cc1ccc(CCCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1 12914760 INUFHWLBUWYVAU-UHFFFAOYSA-N 381.519 2.618 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(F)c(F)c1 3600665 GUXYARYZLIYGKZ-HXUWFJFHSA-N 385.370 2.687 0 40 GFAB COc1cccc(C2=NO[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)C2)c1 5029620 WDCRREJBGGCOQW-HXUWFJFHSA-N 384.432 2.564 0 40 GFAB biogenic CC(C)c1ccc(OCC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5215653 SPYYEQQRXBSNBL-KRWDZBQOSA-N 391.489 2.998 0 40 GFAB C[C@H]1CN(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)CC(C)(C)O1 65690115 SBGSIBXQKSQFLU-LBPRGKRZSA-N 387.402 2.644 0 40 GFAB CC1(C)CC(NC(=O)CCCNc2nc(Cl)nc3[nH]cnc23)CC(C)(C)N1 8992520 GPROGLFQJZYHTA-UHFFFAOYSA-N 393.923 2.624 0 40 GFAB CC(C)C(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 408619809 HTBNZCKQXVAJAV-UHFFFAOYSA-N 381.370 2.561 0 40 GFAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NCc3ccccc3)cnc12 7255983 DFEPJUXTQUHDAA-UHFFFAOYSA-N 378.457 2.939 0 40 GFAB CCCNC(=O)NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 7671952 SSVWWNHELHXJSL-UHFFFAOYSA-N 390.490 2.731 0 40 GFAB Cc1c(CC(=O)N=c2[nH]c3ccccc3[nH]2)c(=O)oc2cc(O)c(Cl)cc12 9059833 IWLUGFOHVLSUJI-UHFFFAOYSA-N 383.791 2.940 0 40 GFAB COc1ccc(CSc2nnc(Nc3ccc(C)cc3)c(=O)n2N)cc1OC 28535925 BFJQSKYDCKTCFF-UHFFFAOYSA-N 399.476 2.714 0 40 GFAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CC1 72054921 LLUOVPRTWRZFLL-ZDUSSCGKSA-N 395.333 2.678 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN1C(=O)c1cccs1 9738825 PBYDHZVFVMKUAZ-KRWDZBQOSA-N 397.500 2.796 0 40 GFAB CCCNC(=O)CN1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 96983483 AVRWIPYWVQVUFD-CQSZACIVSA-N 379.455 2.636 0 40 GFAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC[S@@](=O)c1ccccc1 84721418 WJBVRLURHFINMN-FZBPCLLLSA-N 386.517 2.755 0 40 GFAB CC[C@H](CO)NC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1 95465565 PDWUAZAPGHZAPQ-OAHLLOKOSA-N 396.422 2.764 0 40 GFAB COc1cc(C(=O)O)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254246 ABGXISCJWLYZIQ-UHFFFAOYSA-N 383.397 2.507 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)C(=O)Cc2ccccc2)CC1=O 89271975 SLQCMSARPLVTMK-WMZOPIPTSA-N 394.471 2.755 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(C(=O)c3ccsc3)C[C@@H]1C2 306135285 OMMRLKMMDONGTE-GJZGRUSLSA-N 393.472 2.536 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C 408584801 VHPKTWNEYUVZCY-MRXNPFEDSA-N 391.489 2.846 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCCOC)cc1NC(=O)c1ccccc1 408558662 JXLNDVKLBKWRAS-UHFFFAOYSA-N 392.477 2.652 0 40 GFAB O=C(c1ccccc1)N1CCO[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306130991 JUDFCRDHLPVDNV-GOSISDBHSA-N 377.448 2.543 0 40 GFAB Cc1ccn(C[C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)n1 36619303 CZMMXZSQGWPIGX-CYBMUJFWSA-N 395.854 2.768 0 40 GFAB COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2cccc(OC)c2)cc1 408704407 MYQGTVTWBUAEIJ-LJQANCHMSA-N 391.431 2.876 0 40 GFAB COc1ccc([C@@H](NC(=O)NC2CCN(c3ccccn3)CC2)C2CC2)cn1 527684069 GWBHPBBBGVRWNV-FQEVSTJZSA-N 381.480 2.905 0 40 GFAB Cc1cc2ccccc2n1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32249930 REDIOXZJOWFCCR-NRFANRHFSA-N 377.488 2.967 0 40 GFAB O=C(N[C@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 72373041 KTSMHVQMKCNDOR-FKBYEOEOSA-N 392.499 2.913 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225568111 DYORZPDTHIJYNM-OAHLLOKOSA-N 388.489 2.971 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)OCCO4)n2)cc1 225406084 ILJSTOGLDAFBHY-UHFFFAOYSA-N 381.388 2.837 0 40 GFAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cc(-c2ccco2)n[nH]1 225808545 JZEYSIWTZZAOAE-UHFFFAOYSA-N 376.298 2.661 0 40 GFAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)NCc1ccccc1 49809583 LWOVHROKZJQJDT-OAHLLOKOSA-N 386.835 2.553 0 40 GFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)[nH]1 223170560 ZBGLRWBNVMTMBV-PMACEKPBSA-N 399.564 2.721 0 40 GFAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 223654925 OBYZFAIFLVBQJC-UHFFFAOYSA-N 392.477 2.988 0 40 GFAB CSc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124103 CIQZMFFZWPYGNO-AWEZNQCLSA-N 395.492 2.634 0 40 GFAB COCc1n[nH]c(-c2cccc(NC(=O)c3cc(-c4cccnc4)n[nH]3)c2)n1 96117973 NFSAFWAZYHMTBM-UHFFFAOYSA-N 375.392 2.656 0 40 GFAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(CCc1ccccc1)CC2 96260342 CNZCKYOKSKOZBM-UHFFFAOYSA-N 380.536 2.929 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@]1(C)O 247982735 HTMIVWKRALTAAE-JLMWRMLUSA-N 393.443 2.823 0 40 GFAB CC(=O)N1Cc2ccccc2C[C@H]1c1nc(CCCn2ccccc2=O)no1 585084124 ZLXVQTBJHFEZGF-SFHVURJKSA-N 378.432 2.510 0 40 GFAB O=C(COc1ccc(F)cc1)N1CC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 257306733 SVORDNBFPFOVRP-CQSZACIVSA-N 394.410 2.544 0 40 GFAB COc1cccc(C2(c3noc([C@H]4CC(=O)N(c5cnn(C)c5)C4)n3)CCC2)c1 624624298 PGHXVUMZQHVPAK-AWEZNQCLSA-N 393.447 2.802 0 40 GFAB COc1ccc2[nH]cc(C(=O)CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 58979823 DIBXVFCFCQWWDD-CABCVRRESA-N 377.444 2.640 0 40 GFAB biogenic COc1cccc(S(=O)(=O)N[C@@H](CC(=O)O)c2cccc(C)c2C)c1F 656157905 VPFBKXIHIKQOHE-AWEZNQCLSA-N 381.425 2.945 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NCCc1nc(-c2cccs2)c[nH]1 90606944 QJZWQPDWAKJVAX-UHFFFAOYSA-N 389.502 2.661 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1CCC(n2nnc3ccsc3c2=O)CC1 390829140 CYOHWTWRTDFYMN-UHFFFAOYSA-N 379.445 2.812 0 40 GFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1ccccc1 585262334 LIKNGQJFAMNPCX-CZYKHXBRSA-N 380.488 2.852 0 40 GFAB N[C@@H](CC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)Cc1ccccc1 1521313243 QDCAIKZSMZBXFT-GCJKJVERSA-N 377.488 2.921 0 40 GFAB CCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393143 MZSCICDZGHYUNV-QGZVFWFLSA-N 376.464 2.564 0 40 GFAB COc1cccc(N2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]2C)c1 89939366 BPJGLMPJMPOHMT-HUUCEWRRSA-N 377.485 2.646 0 40 GFAB CCN1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C[C@@]12CCOC2 1615589410 PICFFIIUAHPZPB-HXUWFJFHSA-N 388.899 2.771 0 40 GFAB COc1ccc(OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 11077304 PVMSYDHCNLRKPB-UHFFFAOYSA-N 384.480 2.645 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 12146760 DNCGUOVDISNGFT-CQSZACIVSA-N 382.489 2.692 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 14019400 XWWRRRVVBIYKKR-QGZVFWFLSA-N 386.473 2.929 0 40 GFAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 15197894 UJKHQEBVNMGSSR-ZDUSSCGKSA-N 375.446 2.549 0 40 GFAB Cn1cc(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c2ccccc21 19290410 ZQEGZWRFPZIOFY-OAQYLSRUSA-N 389.503 2.910 0 40 GFAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccno2)C1 19591637 MVKCDBAJFRXTKE-QFIPXVFZSA-N 390.443 2.558 0 40 GFAB CC(C)c1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N(C)C)nn2cnnc12 19662765 JRFVVKNNTUFTGU-QGZVFWFLSA-N 386.887 2.934 0 40 GFAB Cc1nc(CC(=O)N2CC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cs1 19748148 IFAKAQSBQYXQRC-INIZCTEOSA-N 396.516 2.683 0 40 GFAB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 6229610 CKLHMXOJTLTQRV-WUXMJOGZSA-N 390.779 2.612 0 40 GFAB CN1C(=O)N[C@H](c2cccnc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4140269 FOMXGRXQNHKVHM-ZOWXZIJZSA-N 385.367 2.589 0 40 GFAB O=C1CCCC[C@]2(CN(c3ncnc4[nH]cnc34)C[C@H]2c2ccccc2F)N1 2037843321 AYTMFQARWCIEEU-VBKZILBWSA-N 380.427 2.525 0 40 GFAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)C4CC(F)(F)C4)C3)C2=O)n1 1614929926 KGDXVGRYKCKOMG-IBGZPJMESA-N 377.435 2.776 0 40 GFAB COc1ccc2nc(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)sc2c1 2087150039 BWPFDOPFTFGFRN-UHFFFAOYSA-N 381.523 2.698 0 40 GFAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCCCC1 2459449 ZWERHEHQBYCUMU-UHFFFAOYSA-N 387.530 2.985 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2)C[S@](=O)C3)cc1 4106123 KKZLFDYZIDYLKE-MUUNZHRXSA-N 397.456 2.904 0 40 GFAB COc1ccc(Cn2ccnc2SCC(=O)Nc2nnc(C)s2)cc1 4248797 BYKAAWUXQYQNQD-UHFFFAOYSA-N 375.479 2.831 0 40 GFAB Cc1ncsc1CN1CCC(C(=O)NCc2ccco2)(n2ccnc2)CC1 2055713349 DCWMCIJEORJTFB-UHFFFAOYSA-N 385.493 2.549 0 40 GFAB COC1(CC(=O)N2C[C@@H]3C[C@@H](COc4cncc(Cl)c4)O[C@@H]3C2)CCC1 2055713391 IQYGZPXTLQNVRC-RRQGHBQHSA-N 380.872 2.689 0 40 GFAB Cc1nc(C(=O)N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)cs1 1775968122 JPZVITIRARMQQF-UHFFFAOYSA-N 397.508 2.509 0 40 GFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nn1 1775977440 IJAKZEAYURNEBR-UHFFFAOYSA-N 396.447 2.628 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1cc(-n2nc(C)cc2C)ncn1 49404124 FGOXXCABHMGNPR-UHFFFAOYSA-N 397.460 2.797 0 40 GFAB C[C@](O)(CNS(=O)(=O)c1ccccc1Br)Cc1ccsc1 618255697 WGGIZCRODWBQAS-CQSZACIVSA-N 390.324 2.783 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2nn(CCN)c3ncccc23)C1 19558963 IPADJSMQJDVYNT-ZDUSSCGKSA-N 399.882 2.682 0 40 GFAB COC(=O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(N(C)C)cc2)C1=O 101130771 WCCJVBHBCIRNNT-QGZVFWFLSA-N 384.457 2.963 0 40 GFAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccccc2Cl)CC1 17119429 UIYYJFLFUIPXBU-OAHLLOKOSA-N 375.900 2.780 0 40 GFAB NC(=O)N[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 11272810 IFELVUBIKDHBEL-GOSISDBHSA-N 386.883 2.788 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 892679 HAKVCULKJUFJKF-UHFFFAOYSA-N 398.487 2.509 0 40 GFAB O=C(NC(=S)N(CCO)Cc1ccccc1)c1ccccc1Br 3281168 VTMXKQMTBZOFCD-UHFFFAOYSA-N 393.306 2.958 0 40 GFAB Cc1cccc(C)c1OCc1nnc(SCC(=O)NCc2ccccc2)n1N 7517605 FHZZVGGUGKDVKL-UHFFFAOYSA-N 397.504 2.596 0 40 GFAB Cc1cccc(-c2nc(CSc3nnc(SCC(N)=O)s3)no2)c1 32327062 DUFNIMZMHYXFSS-UHFFFAOYSA-N 379.492 2.766 0 40 GFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(F)c(Cl)c1 8075469 MXCTZGRQDMSEEK-UHFFFAOYSA-N 389.814 2.974 0 40 GFAB CN(C)S(=O)(=O)c1cccc(CSc2nc(-c3ccccc3)cn2N)c1 8135096 FMANYDFOYGYMFF-UHFFFAOYSA-N 388.518 2.807 0 40 GFAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 101992944 ORQFGHOGKYZHFZ-YHUYYLMFSA-N 392.242 2.905 0 40 GFAB COc1ccc([C@H]2CCCN2CCC(=O)N2CCN(c3ccccn3)CC2)cc1 32776733 MUQICPWMGZHQPU-OAQYLSRUSA-N 394.519 2.966 0 40 GFAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(N)=O)c1 32741916 FCGSDTPADVUKOM-UHFFFAOYSA-N 395.488 2.778 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1 21694331 BUTGHVGJRJLTBB-UHFFFAOYSA-N 385.445 2.927 0 40 GFAB CCN(CC)C(=O)N1CCC[C@H](C(=O)NCCOc2ccc(C)cc2C)C1 32913108 PYVOIUNOFYFLTE-SFHVURJKSA-N 375.513 2.972 0 40 GFAB CN(CCCNC(=O)c1ccc(N(C)C)cc1)C(=O)c1ccc(N(C)C)cc1 58208812 UVXVWLVRPXIKFZ-UHFFFAOYSA-N 382.508 2.711 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23117686 IZRFCMLPQOERIT-ZDUSSCGKSA-N 381.407 2.710 0 40 GFAB O=C([C@H](O)c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 20070061 DYOTVAYYODWMRP-WBVHZDCISA-N 382.313 2.747 0 40 GFAB CC(C)OC(=O)C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 22139873 UUMHVINLQOWQPX-IBGZPJMESA-N 397.475 2.731 0 40 GFAB COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc2c1OCCO2 20922064 ATPBOGXDYYJLRE-UHFFFAOYSA-N 396.443 2.631 0 40 GFAB CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 104330029 XMHQGJFMSYUIEH-FQEVSTJZSA-N 399.535 2.835 0 40 GFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCc1ncc(Cl)n1C 54170092 UYNWTWOIXLKQJJ-HNNXBMFYSA-N 385.798 2.850 0 40 GFAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23865053 PXFSNQRFZPHBBB-UHFFFAOYSA-N 390.443 2.763 0 40 GFAB COc1ccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1CO 100755962 YARQDIKWXKFYKW-YLJYHZDGSA-N 380.492 2.840 0 40 GFAB C[C@H](NC(=O)c1cccs1)C(=O)NCC1CCN(Cc2cccs2)CC1 61568367 MZKVNQLGWJVCLR-AWEZNQCLSA-N 391.562 2.956 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1C 107795622 PLERAZJYZNQINH-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CCN(CC)[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1cccc(OC)c1 24711453 DODDKXVOQUMVCO-KRWDZBQOSA-N 381.498 2.661 0 40 GFAB COC(=O)c1ccc(CNC(=O)NCc2cccc(N3CCCC3=O)c2)cc1 47606010 ZRSGYOCOWDAJMP-UHFFFAOYSA-N 381.432 2.599 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O 1795945 BAFBGNDGKMLCHH-JTQLQIEISA-N 391.820 2.843 0 40 GFAB in-vitro Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)cc1C 57486178 ZXWVCUQMWYKUTE-UHFFFAOYSA-N 387.430 2.978 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 57833253 ZODPKJMUIAGKBT-OAHLLOKOSA-N 393.443 2.800 0 40 GFAB CCC[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 35903476 QUBMZEIHDVJZMJ-AWEZNQCLSA-N 394.541 2.544 0 40 GFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 58208591 ZYCNODCZAAIFQN-OLZOCXBDSA-N 378.519 2.534 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc3cccnc23)cc1 10780765 WEMWABMIDXNULW-UHFFFAOYSA-N 399.472 2.941 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccn(C)n1 12780716 DMGFGNIBVJTZIG-UHFFFAOYSA-N 388.424 2.921 0 40 GFAB C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 12764806 OFHZHHAGZBPLLI-GFCCVEGCSA-N 391.880 2.646 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)C1 48311101 WYMCGQXZFBZLBA-FUHIMQAGSA-N 383.536 2.792 0 40 GFAB Cc1cc(C)cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 12866010 OKWXDLHQLFFMRL-UHFFFAOYSA-N 375.446 2.877 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1c(F)cccc1F 408561861 WEAQOZSPUIJOOX-NSHDSACASA-N 384.404 2.587 0 40 GFAB COc1ccc(CCNC(=O)CCn2c(=O)sc3ccccc32)cc1OC 5014960 NSJWRBMITXOPII-UHFFFAOYSA-N 386.473 2.829 0 40 GFAB CCCN(CCC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 4488394 UKRIEWSHXMGTDR-UHFFFAOYSA-N 393.509 2.980 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](C(=O)N2CCCC2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 5473517 QVTZKRLAUGQJPH-ILXRZTDVSA-N 398.381 2.692 0 40 GFAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 6560932 TXXHOSHRHDBZKU-UHFFFAOYSA-N 377.466 2.763 0 40 GFAB CCCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 6647770 AMCDLGKIVVSAGM-IBGZPJMESA-N 388.493 2.605 0 40 GFAB O=C(OCC(=O)N1CCNC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 5627304 RUKGUBJWRUZIGK-UHFFFAOYSA-N 382.294 2.674 0 40 GFAB COc1cc(NC(=O)Cc2noc3ccccc23)c(C(=O)N(C)C)cc1OC 25217763 HCPVBJQRLNSEOZ-UHFFFAOYSA-N 383.404 2.728 0 40 GFAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 5752413 OTRPLSWOXLYBAL-OUKQBFOZSA-N 383.400 2.867 0 40 GFAB O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1C[C@H](O)COc1ccccc1F 8985112 GJSKJGMUEBQLHI-KSFYIVLOSA-N 398.434 2.739 0 40 GFAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)c(F)c2)c1N 6999660 SCJLAMFNVOMUFU-UHFFFAOYSA-N 396.426 2.761 0 40 GFAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CNC(=O)c1ccccc1 15910987 IXKKVEPUDPIPQP-NXHRZFHOSA-N 375.465 2.964 0 40 GFAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(S(C)(=O)=O)s1 9134901 GRIRBGRTYJWAJO-ZCFIWIBFSA-N 396.277 2.654 0 40 GFAB O=C([C@@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCOCC1 9575943 UDXJZMDZDIQZFF-AWEZNQCLSA-N 392.864 2.668 0 40 GFAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9740255 MYQLFBLAAPAYCI-HNNXBMFYSA-N 383.448 2.888 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 84011976 LAAHQDRFCKZMJG-WMLDXEAASA-N 390.553 2.734 0 40 GFAB CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@H](C)CCc2ccccc2)CC1 9805408 ZGVHGHOZXRGPRN-QGZVFWFLSA-N 388.508 2.706 0 40 GFAB O=C(NCCCC(=O)N1CC(OCCCOc2ccccc2)C1)c1ccccc1 72311799 ZALOQBBCNIIVJY-UHFFFAOYSA-N 396.487 2.893 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)O)cc(OC)c1OC 95424833 RKVVJQNNJCRTIX-UHFFFAOYSA-N 397.387 2.849 0 40 GFAB COC(=O)CC(C)(C)N(C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 95972806 ZWLXTSSKVYRFAK-UHFFFAOYSA-N 396.534 2.987 0 40 GFAB Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2cccs2)C2CC2)cc1 25293076 CERBLNNOGSRHTG-UHFFFAOYSA-N 378.519 2.868 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1 408574989 NSJMKKFGPAWSSW-UHFFFAOYSA-N 386.448 2.651 0 40 GFAB O=C(COc1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 30096472 HAAHSHAUURFSPC-UHFFFAOYSA-N 388.851 2.792 0 40 GFAB COC(=O)[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C)C[C@@H]1C 508417819 WJQLQSOYMSCPNZ-DZGCQCFKSA-N 379.464 2.974 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1F)C(C)C 36596222 QJSPLSJELCNWKJ-NVXWUHKLSA-N 392.406 2.543 0 40 GFAB O=C(Nc1cccnc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 36708456 LICFTHQTKZUYRZ-ZDUSSCGKSA-N 388.474 2.619 0 40 GFAB CC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1C)n1cc(Cl)cn1 36614890 FLNFGEMJUHUCGH-NSHDSACASA-N 381.836 2.756 0 40 GFAB COc1cc(/C=C2\CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc(OC)c1O 70666564 OMUYONJZLOZFKO-OVCLIPMQSA-N 381.384 2.959 0 40 GFAB biogenic CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)N(Cc3ccccn3)C3CC3)cc21 72345846 IFNKHOFZYONSPJ-FQEVSTJZSA-N 385.489 2.558 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1)c1ccccc1 71000971 WHCADRGDUQPPJK-GOSISDBHSA-N 390.447 2.687 0 40 GFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 562439664 BAADZSYXXSMJAC-NVXWUHKLSA-N 379.464 2.619 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O 44847096 TWJQXBHGSSKGQH-INIZCTEOSA-N 390.505 2.955 0 40 GFAB Cc1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c2nn(C)c(C)c2n1 41070259 OHOWHKLTTNFDAB-BETUJISGSA-N 394.479 2.973 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F 223831088 NCKPRZZFYFCDFH-AWEZNQCLSA-N 376.403 2.897 0 40 GFAB Cc1cc(C)cc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)c1 223340935 QLALWCRPZQAQSG-UHFFFAOYSA-N 384.567 2.861 0 40 GFAB CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(N(C)C)n1 224341682 HBSRJSCQDUIDQO-UHFFFAOYSA-N 390.296 2.716 0 40 GFAB C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 223613069 VTHYBDPEPFJISO-LBPRGKRZSA-N 388.474 2.830 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 223401924 VIFLXPMTOFPTSE-HNNXBMFYSA-N 384.567 2.942 0 40 GFAB COc1ccccc1S(=O)(=O)NC[C@@H](c1cn(C)c2ccccc12)N(C)C 77171688 JDTOOIKYHUUBJY-SFHVURJKSA-N 387.505 2.768 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 222855734 NXMHTMJFLPIWEF-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1cccc(Br)c1 225877692 SXBOKSJLTJZSEA-UHFFFAOYSA-N 390.284 2.838 0 40 GFAB CCS(=O)(=O)C(Br)(Br)C(=O)c1ccccc1F 96518491 CMQYIYJPPKXNSY-UHFFFAOYSA-N 388.052 2.887 0 40 GFAB CN(C)C(=O)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(c1ccccn1)C2 96056121 CPFPIXKMICEEKZ-UWJYYQICSA-N 384.549 2.950 0 40 GFAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1c[nH]c2ccccc12 95472380 CRTSBKNFKORITH-UHFFFAOYSA-N 378.407 2.684 0 40 GFAB CC(C)Nc1nc(N2CCCC2)nc2c1CN(C(=O)NCc1cccnc1)CC2 96254257 WVKQJGAMZABCEP-UHFFFAOYSA-N 395.511 2.560 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257277181 NWTRRZRLZBVDBT-SFHVURJKSA-N 396.422 2.633 0 40 GFAB O=C(CN1CCO[C@H](Cc2ccccc2)C1)Nc1ccc(N2CCCCC2)nc1 539577213 OUUVOIGZJHHMBO-OAQYLSRUSA-N 394.519 2.954 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257315359 VAZFOUFSEGHKAS-LJQANCHMSA-N 388.499 2.546 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)c(C)c1 90606994 TWGCFHJRKPORQT-UHFFFAOYSA-N 375.450 2.518 0 40 GFAB C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC1CC1 612809272 ONKHISIYXSGEQK-KXBFYZLASA-N 393.557 2.625 0 40 GFAB Cc1cccc2nc(CCNC(=O)N3CCN(C)C[C@H]3Cc3ccccc3)cn12 651175708 IGLTZSGLCNYDDA-OAQYLSRUSA-N 391.519 2.754 0 40 GFAB O=C1NCCc2ccc(NC(=O)N3CC[C@]4(CC(=O)c5ccccc5O4)C3)cc21 668678513 ZADREVMELBBXNH-QFIPXVFZSA-N 391.427 2.614 0 40 GFAB CC(C)C(=O)Nc1nc(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)cs1 675043130 BZDPEXGATJEIQS-UHFFFAOYSA-N 383.477 2.782 0 40 GFAB C[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)C1 1708073227 MLYGYPSQHOCOQL-IAGOWNOFSA-N 388.560 2.588 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N2CCN(c3nccs3)CC2)cc1Cl 57460479 ZYDPOBGHGCDADS-LBPRGKRZSA-N 380.901 2.954 0 40 GFAB COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@H]4CCOC4)cc32)c1 66412436 KFZBHEVQODWYCS-KRWDZBQOSA-N 380.444 2.802 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)C1 72341388 OOCFCZPUMHNSHJ-ARKGTOAJSA-N 397.470 2.712 0 40 GFAB O=C(O)[C@]1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C[C@H]2CC[C@H]1C2 663108642 ICCAZGMIMRLXCS-SGXKBVARSA-N 386.492 2.720 0 40 GFAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)CC(F)(F)F)C[C@H]1CO2 1772594450 BCZRPBYLOVVCRF-AWEZNQCLSA-N 399.413 2.606 0 40 GFAB COc1cccc(CNC(=O)Cn2nc(C)n3c(cc4sc(C)cc43)c2=O)c1 12115344 ABNSXHYOMBVFMU-UHFFFAOYSA-N 396.472 2.653 0 40 GFAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc4nccnc4c2)CC3)C1 12145355 ZCJFXEZUKGVVIS-HNNXBMFYSA-N 390.491 2.508 0 40 GFAB COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nn1 12444092 UODVQFWAMTXHBM-UHFFFAOYSA-N 397.262 2.520 0 40 GFAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711114 KEEFAOQJRGLCSS-QGZVFWFLSA-N 390.461 2.657 0 40 GFAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)NC(C)C 15588435 BZWDQLYLUQFOHL-UHFFFAOYSA-N 384.404 2.912 0 40 GFAB CC(C)CN1CCC2(CC1)N=C(O)N([C@H]1CCCN(Cc3ccccc3)C1)C2=O 19699759 ILTXIDDFQIWAEI-FQEVSTJZSA-N 398.551 2.898 0 40 GFAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)c3snnc3C)CC2)c1 19749713 CNPICDIFFHYYPS-OAHLLOKOSA-N 388.493 2.622 0 40 GFAB COc1ccc(CNC(=S)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 8044486 OFIZDGPWDQFBFE-DJKKODMXSA-N 394.840 2.961 0 40 GFAB C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)Nc1ccc2c(c1)OCCO2 24776111 FPLXAEIAONMRJW-CYBMUJFWSA-N 381.432 2.789 0 40 GFAB O=C(NCc1ccco1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305745 ATZAVVRGCYCKEX-GOSISDBHSA-N 395.484 2.878 0 40 GFAB COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 7422770 LMCGATKSBUNYGW-UHFFFAOYSA-N 399.838 2.667 0 40 GFAB O=C([C@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCC(F)(F)CC1 2086850172 MWLPBMDPUILLQR-GFCCVEGCSA-N 379.329 2.563 0 40 GFAB CCc1cccc(NC(=O)CN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 105402163 TVDQOMGFGYWJMM-QGZVFWFLSA-N 390.281 2.766 0 40 GFAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)[C@H]1CC(c2cccc(F)c2)=NO1 40088127 XYECZNBTGMNUKX-GOSISDBHSA-N 392.394 2.946 0 40 GFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1c1nnc2ccccn12 40009853 JJYIHXZEIUKWNB-NVXWUHKLSA-N 393.447 2.708 0 40 GFAB O=C(NCCS(=O)(=O)c1ccccc1)c1csc(Cc2ccccc2)n1 40154849 ORUNAVDVDREFAG-UHFFFAOYSA-N 386.498 2.938 0 40 GFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1OC 40150007 VNYMVSIEYPXFOL-UHFFFAOYSA-N 384.436 2.677 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N(C)C)cc2C)C1=O 40111721 DINHUHACMWHNHC-JOCHJYFZSA-N 394.475 2.857 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccc(NC(C)=O)cc2)n1 40287798 OVVIMIHNCPDXSH-UHFFFAOYSA-N 377.400 2.760 0 40 GFAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842514 JXEPNULUDVFZEL-UHFFFAOYSA-N 386.473 2.804 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccc(F)c1 1208841 BUIRXUKDPLWXQU-TWFHAPMSSA-N 394.439 2.769 0 40 GFAB COc1ccccc1[C@@]1(CCNCCN2CCOCC2)CCOC(C)(C)C1 20590501 AGSCXWRJQXEQAF-QFIPXVFZSA-N 376.541 2.834 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 4400531 ZIAMKZFHEBCXIZ-UHFFFAOYSA-N 396.472 2.908 0 40 GFAB Cc1ccc(COC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1 6852329 NBNJMCXGYNELJJ-QGZVFWFLSA-N 398.484 2.899 0 40 GFAB CCCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)n[nH]c1=O 7699091 RTJNRPZOGHKHSB-CQSZACIVSA-N 378.498 2.554 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1nc(=O)c2ccccc2[nH]1 21133999 TZSPIKVZHNIFJX-SNVBAGLBSA-N 390.365 2.799 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2nncs2)nn1-c1ccccc1C(F)(F)F 21214974 QFPCSQHWXCIEDO-UHFFFAOYSA-N 381.339 2.664 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10362237 MZGUNHDIIWKFMM-CYBMUJFWSA-N 389.477 2.839 0 40 GFAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)Nc1ccccc1 8223900 HEHLQYBLYQNSML-UHFFFAOYSA-N 388.427 2.973 0 40 GFAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)c(OC)c1 8416201 RMTRWFJIDKYNPD-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cn2)n1 46311981 XVVJYXFUDXUQHB-UHFFFAOYSA-N 378.432 2.862 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 21710806 OUBHAOCFNZVNPF-UHFFFAOYSA-N 393.443 2.603 0 40 GFAB CC(C)N(C(=O)CSc1nnc(SCC(N)=O)s1)c1ccccc1 9446410 JHIHWPKEUOLZNJ-UHFFFAOYSA-N 382.536 2.649 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2F)cc1OC 9993195 QTQVVDOAAJVZMI-UHFFFAOYSA-N 380.803 2.794 0 40 GFAB Cn1c(=O)c2c(nc(Oc3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 641066 PFVKIEILYFQLHI-UHFFFAOYSA-N 396.834 2.928 0 40 GFAB biogenic NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 106690429 CCLYGASXYKCVPK-SXGWCWSVSA-N 386.404 2.926 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cn1 47275795 WYFIBZNJIQRFFV-UHFFFAOYSA-N 379.420 2.660 0 40 GFAB CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 1006978 BDOPAXJBLZPCLB-ZQIUZPCESA-N 398.406 2.789 0 40 GFAB COc1ccc(C(C)=O)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 23627705 NVGNDCCENFFXNH-UHFFFAOYSA-N 384.432 2.752 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)NCc2ccc(F)cc2)CC1 43025080 XZADWSGNVZEBJV-UHFFFAOYSA-N 384.499 2.963 0 40 GFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccnc2Cl)c1 57312901 QMTKYSXCBVLNFG-UHFFFAOYSA-N 388.855 2.526 0 40 GFAB COc1ccc([C@H](NC(=O)CCNC(=O)c2ccsc2)c2nccn2C)cc1 12519844 ONBYFJRIAMVDCE-SFHVURJKSA-N 398.488 2.516 0 40 GFAB CCCOc1ccc(N2C(=O)C[C@@H](n3c(CO)nc4ccccc43)C2=O)cc1 102223374 GBNJWOOEPGLAEV-GOSISDBHSA-N 379.416 2.822 0 40 GFAB CCCN1CCN(C(=O)CSc2nnc(Cc3ccc(C)c(C)c3)o2)CC1 20196957 GUEAKGZWJBSUOL-UHFFFAOYSA-N 388.537 2.924 0 40 GFAB C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 25106431 VDKBAPQXNSSXHA-MRXNPFEDSA-N 388.489 2.525 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccccc1)N(C)C 25421840 GSJXBQILYNSHQO-IAGOWNOFSA-N 389.521 2.550 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1C 20016185 OYBFPFSJSJHGIM-CYBMUJFWSA-N 380.441 2.757 0 40 GFAB Cc1ccc([C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)N(C)C)cc1 58246415 QPRNZPRDIVCZAC-HXUWFJFHSA-N 378.476 2.514 0 40 GFAB COc1cccc(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1OC(F)F 58385730 XTCQOCMYSXFVSY-VIFPVBQESA-N 377.347 2.957 0 40 GFAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 3344716 XGQJOQCNZPZJHN-UHFFFAOYSA-N 385.807 2.691 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OC)c(OC)c1 2249240 LLHFXVMRYIBJRS-ZBEGNZNMSA-N 390.461 2.916 0 40 GFAB Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2sccc2C(N)=O)c1 3363092 KNCJCMJZTOHWRU-UHFFFAOYSA-N 378.475 2.738 0 40 GFAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 10662777 KDZURITYGXLEBY-UHFFFAOYSA-N 382.869 2.754 0 40 GFAB Cc1csc(N2CCC(C(=O)Nc3ccc(N4CCOCC4)cn3)CC2)n1 48355170 RQUCNVPLDCWFOL-UHFFFAOYSA-N 387.509 2.538 0 40 GFAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1 3439116 AAGIVNYABKNEJR-UHFFFAOYSA-N 385.424 2.731 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(=O)[nH]1 12901081 OXDGHIQSWUBLAN-UHFFFAOYSA-N 389.525 2.646 0 40 GFAB CC[C@H](C(=O)N(C)Cc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O 22525953 WHASVZPKGIIJCA-GOSISDBHSA-N 390.505 2.898 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2cccc3c2OCCO3)c(Cl)cc1F 63877837 VDHIPHHEBCPDBH-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl)Nc1ccccc1F 409378222 NRCXORKJFDAZKB-RIYZIHGNSA-N 389.770 2.677 0 40 GFAB CCOc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc1OCC(C)C 5102969 MZGPARSYOQDZBY-UHFFFAOYSA-N 394.468 2.901 0 40 GFAB COC(=O)c1ccc(COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 5191833 GWPBQONOTOAYEB-INIZCTEOSA-N 383.400 2.578 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)s1 14244457 ZWVBPUNDRHVRQZ-UHFFFAOYSA-N 379.869 2.537 0 40 GFAB COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)O)cc1 6581965 HGRYEIBMPYFFAP-KRWDZBQOSA-N 376.840 2.963 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1cc2ccccc2o1 14348970 KVASTDNQLOUCTH-NSHDSACASA-N 391.449 2.536 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1 4694247 OIMJAUCPBZSVMS-PBHICJAKSA-N 378.469 2.754 0 40 GFAB CCOCCCN1C(=O)C(=O)N(Cc2cc3ccccc3nc2Cl)C1=O 6651494 HRRNEGHRCYBYKX-UHFFFAOYSA-N 375.812 2.606 0 40 GFAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nc(C)cs1 8734454 AFDFADMTSWYEAL-LJQANCHMSA-N 384.461 2.779 0 40 GFAB biogenic Cc1csc(N(CC(F)(F)F)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)n1 67020358 KGVLDGUEOGYVCA-UHFFFAOYSA-N 399.398 2.542 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(N2C(=O)CCC2=O)c1 67523290 BFLUTEAQXKMLLC-UHFFFAOYSA-N 392.390 2.595 0 40 GFAB COc1ccc2c(C)c(CC(=O)N(CCO)c3ccccc3)c(=O)oc2c1OC 8879899 ZIQFHZRXAHDFSM-UHFFFAOYSA-N 397.427 2.687 0 40 GFAB biogenic Cc1nn(C)c(Cl)c1COC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 71185798 XYZXWHPJWCECSB-LBPRGKRZSA-N 377.828 2.629 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 408597218 UEQGODOCHISIMA-LSDHHAIUSA-N 376.478 2.630 0 40 GFAB COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@H]2C(C)C)cc1 85875334 RNEROPFFCATWMB-OAQYLSRUSA-N 381.476 2.904 0 40 GFAB biogenic COc1ccc(-c2cc(C(=O)NCCCc3nnc4ccccn34)n(C)n2)cc1 79490663 SPAHZECTVMHIPX-UHFFFAOYSA-N 390.447 2.501 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 408559518 VRVJTMAZXYEXTB-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB Nc1nc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2nc[nH]c2n1 31809106 WGVBIFAHZGGPFT-UHFFFAOYSA-N 378.267 2.564 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)Cc1nnc(O)c3ccccc13)CC2 524733615 YPQAZXHGAAIKNA-MRXNPFEDSA-N 379.416 2.699 0 40 GFAB COCC(=O)N1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 72322188 HNPJDVDHRJQJMV-AWEZNQCLSA-N 385.342 2.522 0 40 GFAB biogenic,in-vitro CC(C)Oc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 219664149 FXWSWAMLTJBPIQ-UHFFFAOYSA-N 388.445 2.647 0 40 GFAB CCCc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCCC3)C2)no1 72344749 UUEQPISGVJCCSL-AWEZNQCLSA-N 385.468 2.606 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1OCC(=O)N(C)C 223245335 RIFUGNQFQWRWPG-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB Cc1ccc2c(c1)O[C@H](C(=O)NC(C)(C)CC(C)(C)C)CN2S(C)(=O)=O 224486306 RGJPQXXNPTZIJP-INIZCTEOSA-N 382.526 2.853 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1 224741337 ORKQYHWPAMSUTR-QGZVFWFLSA-N 384.476 2.611 0 40 GFAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccccc1C 224033818 SEJOTXHYNMYPCH-ZDUSSCGKSA-N 382.511 2.871 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1F 96226884 JBQATZFCYDKNRE-APWZRJJASA-N 389.452 2.569 0 40 GFAB COC[C@H]1CN(C(=O)c2ccco2)CC12CCN(Cc1nccs1)CC2 247884144 RBYVMQXHHQGNMH-OAHLLOKOSA-N 375.494 2.737 0 40 GFAB COC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242614868 PKVFIFUSPJJAJM-KURKYZTESA-N 381.881 2.632 0 40 GFAB Cn1ncnc1[C@@H]1COCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2)n1 585081202 MYHXTDIWGXVAAH-INIZCTEOSA-N 399.838 2.870 0 40 GFAB COC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252514122 BHZVPGZYJAABEH-JZXOWHBKSA-N 379.478 2.684 0 40 GFAB C[C@H]1[C@H](NC(=O)NC[C@@H]2Cc3ccccc3CO2)CC(=O)N1Cc1ccccc1 623994766 CKQXEBOLFNUYJU-ORYQWCPZSA-N 393.487 2.617 0 40 GFAB CCOC(=O)c1c(O)c2cc(Br)nc(C(F)(F)F)c2n(C)c1=O 168089008 FNOOHJKMQJICLB-UHFFFAOYSA-N 395.131 2.597 0 40 GFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 12118379 AGHXWOMRBSPUMU-OAHLLOKOSA-N 397.504 2.997 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(c2nc3ccccc3o2)CC1 12832002 BCIZPBXSMMONNX-UHFFFAOYSA-N 377.404 2.853 0 40 GFAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 13267552 ZDETWQYTVBUIMJ-SFHVURJKSA-N 394.519 2.916 0 40 GFAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 15880152 GIURXWNMKOKEEE-UHFFFAOYSA-N 379.507 2.565 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 16015546 PMYXBGVZLUBYOY-MRXNPFEDSA-N 377.444 2.566 0 40 GFAB CCN1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccccc2)CC1 19528091 PHEXIPXQIOLREB-FQEVSTJZSA-N 380.471 2.587 0 40 GFAB COc1ccc(C2(CN3CCC(NS(C)(=O)=O)CC3)CCCCC2)cc1 19553840 IALDGJNQSFAMJQ-UHFFFAOYSA-N 380.554 2.911 0 40 GFAB CN(C)C(=O)c1cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12 19759024 JFXORTFNDBVQBE-FQEVSTJZSA-N 390.443 2.545 0 40 GFAB O=c1/c(=C/c2cc(Br)c(O)cc2O)sc2nc3ccccc3n12 5286570 NAMAFTRVIKRBNC-NSIKDUERSA-N 389.230 2.631 0 40 GFAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544664 FIIWXXYPBQBCQC-YESZJQIVSA-N 396.466 2.693 0 40 GFAB COc1cccc(CC(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)c1 12225591 WYSYMGROZBHYRG-UHFFFAOYSA-N 394.471 2.730 0 40 GFAB O=C(c1cn2c(n1)CCCC2)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 554598398 BNQVKIGNVTYTBZ-UHFFFAOYSA-N 390.846 2.610 0 40 GFAB CC(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@](CO)(c3ccccc3)C2)c1 555247610 ILYZUQCSVUCTRA-NRFANRHFSA-N 387.501 2.645 0 40 GFAB Cc1ccccc1CN1C[C@H](C(=O)N(C)C)[C@]2(CCc3ccccc3C(=O)N2)C1 19237151 MTBGGLOXAHNANR-QPPBQGQZSA-N 391.515 2.630 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19496187 SWTORYLTRKSDLV-IEBWSBKVSA-N 399.535 2.681 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238811800 AMIPYGQVQOUESK-LBPRGKRZSA-N 396.428 2.722 0 40 GFAB COc1ccc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)cc1 2037985292 DWQMIDZYNVMACI-QFIPXVFZSA-N 380.444 2.591 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O 4249300 WRNRVTBKEGLNBX-INIZCTEOSA-N 395.507 2.743 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)c3cccc(Br)c3)CC2=O)c1 5194854 HQMUDALHTVNFCD-AWEZNQCLSA-N 389.249 2.993 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 9036568 HBGNTNXAXVAINQ-HNNXBMFYSA-N 376.453 2.774 0 40 GFAB COc1ccc(NC(=O)C[S@](=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 9828754 RGLPVNWVNDZALU-MUUNZHRXSA-N 399.472 2.851 0 40 GFAB CC(C)(C)OC(=O)NCCn1cc(I)nc1C1CC1 116541104 VKVARJSPTXZBQG-UHFFFAOYSA-N 377.226 2.890 0 40 GFAB CN(C)c1cc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ncn1 2086889461 DLVSOSHTEAFJHT-UHFFFAOYSA-N 380.521 2.988 0 40 GFAB O=C(c1cccs1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 108701780 QRBFFGNSPTVBBQ-CABCVRRESA-N 384.457 2.565 0 40 GFAB CC(=O)Oc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 2351761 YOAQPNHBUJSENS-BOPFTXTBSA-N 377.425 2.599 0 40 GFAB N=c1n(CCOc2ccc(Cl)cc2Cl)c2ccccc2n1CC(N)=O 20082159 XTVXHDYNDUBQLJ-UHFFFAOYSA-N 379.247 2.793 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)cc2)c(OC)c1 932187 VJXIRXXHTWYTQV-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB COC(=O)CCNCCSc1nnc(-c2ccco2)n1Cc1ccccc1 2639096 XKYGVBGQEBLQRB-UHFFFAOYSA-N 386.477 2.831 0 40 GFAB Cc1c(C(=O)NCc2ccc(OC(F)F)cc2)sc2ncn(C)c(=O)c12 11514930 UKMRDGGIBRZHIM-UHFFFAOYSA-N 379.388 2.835 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1 29119376 STBACDIVEPGLED-UHFFFAOYSA-N 390.443 2.684 0 40 GFAB CC(=O)OC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 4194810 AVMIIKLVEDAPFQ-TXTZMMAHSA-N 382.453 2.795 0 40 GFAB O=C1N[C@@H](c2ccc(O)cc2)[C@@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 4898591 MPEPRMHZBVKOIL-ZQIUZPCESA-N 398.312 2.635 0 40 GFAB CCOc1cccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1 4945373 UUMNGZBJKKYCQN-UHFFFAOYSA-N 377.447 2.820 0 40 GFAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC3CCCCC3)n2N)cc1 6100648 USRCNCAJTSAQBY-ZDUSSCGKSA-N 389.525 2.845 0 40 GFAB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC 6939127 ZXYYOTPGAGDIIO-RKPNYOAGSA-N 395.415 2.934 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cc3ccccc3[nH]1)CC2 7006628 AOCGVNUJNTXHTL-UHFFFAOYSA-N 394.427 2.927 0 40 GFAB CN(CCCNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)CC(F)(F)F 46007623 CFUPIHPQQABLSK-UHFFFAOYSA-N 394.781 2.677 0 40 GFAB Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 21326511 OTAFAHAMUAMKDZ-CYBMUJFWSA-N 381.461 2.794 0 40 GFAB CC(C)[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NC(N)=O 21323792 SDYKSWXKBOPVIR-SNVBAGLBSA-N 399.270 2.811 0 40 GFAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c1 8036532 YGFOHCDHVGVNEQ-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1OC(F)F 32738030 HRGBBEFDCCMFQW-UHFFFAOYSA-N 381.379 2.871 0 40 GFAB CCN1C[C@@H](C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1=O 32816318 OJHJEBQHLVRPKN-RXVVDRJESA-N 396.487 2.972 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc2c(c1)CC(=O)N2 8184927 SGPJOHNNBFAPAO-UHFFFAOYSA-N 395.444 2.531 0 40 GFAB COc1ccc(C)cc1CC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 58421996 ZABNNSYKCHVBSY-UHFFFAOYSA-N 378.354 2.924 0 40 GFAB CN(C)CCNCc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O 22916076 MDVOZZHOOVNLMX-UHFFFAOYSA-N 385.487 2.802 0 40 GFAB CCc1ccsc1C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 53050759 ZIOANJXZHLPVPU-UHFFFAOYSA-N 376.478 2.716 0 40 GFAB CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 89643039 AHBCYKRJSUQOKS-KRWDZBQOSA-N 376.497 2.915 0 40 GFAB COc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 23105911 DUKLBPDWVYKVSG-NRFANRHFSA-N 384.476 2.572 0 40 GFAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 23761277 RVKYEEBUGYTAST-LJQANCHMSA-N 380.492 2.687 0 40 GFAB COc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCOCC2)cc1 23974139 HHWJJDRZUKIGQK-HXUWFJFHSA-N 384.476 2.572 0 40 GFAB Cn1ccnc1[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1cccc(F)c1 24016762 JWFKSRFXXDFLSF-IEBWSBKVSA-N 395.438 2.565 0 40 GFAB COc1ccc(OC)c(/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)c1 1239947 DWPWBLJHDZSTRV-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccccc1)N(C)C 25421844 GSJXBQILYNSHQO-DLBZAZTESA-N 389.521 2.550 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)C1 57428760 ALEHPDYNXQXLJJ-GJZGRUSLSA-N 397.500 2.718 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2nnc3ccccn23)CC1 57895891 LCHIDVCHUVRSQL-MRXNPFEDSA-N 399.495 2.835 0 40 GFAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(C(=O)NCc2ccco2)CC1 58130660 OTFUYHQMNIURFI-QGZVFWFLSA-N 383.492 2.827 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(c3nccs3)CC2)c(Br)c1 58208986 QXJRGCCZWHCXSE-UHFFFAOYSA-N 395.326 2.975 0 40 GFAB COc1ccc(CC[C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1 58200807 FBDSQTNGRUJUSH-MRXNPFEDSA-N 379.460 2.933 0 40 GFAB CC(C)Oc1cccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(=O)O)c1 12655978 GEJWWGWCXLOLAA-SJPXOZHESA-N 396.443 2.834 0 40 GFAB biogenic C[C@@H](Sc1nn2c(=O)c(C(C)(C)C)nnc2s1)C(=O)N1CCCCCC1 12617278 HQJCYUZPRYXGNS-LLVKDONJSA-N 395.554 2.727 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN(C(C)=O)C2)cc1OCc1cccnc1 36391848 KUWYLSVWHVQFOA-KRWDZBQOSA-N 383.448 2.866 0 40 GFAB CCOc1ccc(Oc2cc(CNS(=O)(=O)N(CC)CC)ccn2)cc1 48285877 ZDMBJXKGVFUAMB-UHFFFAOYSA-N 379.482 2.949 0 40 GFAB CN1C(=O)c2ccc(NC(=O)CN(Cc3ccco3)C3CCCC3)cc2C1=O 48369110 HKZMWCDGYNLMBC-UHFFFAOYSA-N 381.432 2.889 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12878347 WFTXMQVLAMJUBX-LJQANCHMSA-N 380.444 2.777 0 40 GFAB CN1N=C(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CCC1=O 12918456 FONVPDJAOZTENP-UHFFFAOYSA-N 380.235 2.785 0 40 GFAB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc2c(c1)OCCO2 20493880 ZVQKKEMPBCYUDU-UHFFFAOYSA-N 392.820 2.936 0 40 GFAB COc1cccc(N(CCCC(=O)NCCCc2ccco2)S(C)(=O)=O)c1 113968207 NFIONAGAIAPTOZ-UHFFFAOYSA-N 394.493 2.583 0 40 GFAB Cc1oc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N(C)C 38489309 MTWYHWAGVSPGQM-UHFFFAOYSA-N 392.355 2.989 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)/N=c2/sccn2Cc2ccccc2F)c1 17368866 LPSVUOCVGMDHQP-CZIZESTLSA-N 390.461 2.882 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 5329181 RJHPNFVJVLJTPV-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 14184891 CZJPZIYVHCJOOL-PBHICJAKSA-N 386.521 2.980 0 40 GFAB COc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)c1 6753195 DAWXHLUMXXFTBX-HXUWFJFHSA-N 379.416 2.637 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1C 6706555 OGYSCXQWZBTTHD-UHFFFAOYSA-N 379.434 2.908 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)cc1 20030173 QDDRGPBQIGRZBA-ZDUSSCGKSA-N 392.477 2.591 0 40 GFAB Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)n1 6831678 DHCVETAGVSWVDT-UHFFFAOYSA-N 394.439 2.715 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCCCC)cc1Cl 408616791 AZVNHMJFBYAIKI-UHFFFAOYSA-N 376.906 2.714 0 40 GFAB COCCOC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(F)c(F)c2F)c1C 84007955 ZGTVUQJPNKBTHU-UHFFFAOYSA-N 385.342 2.609 0 40 GFAB COc1ccc(SCC(=O)N2CCS(=O)(=O)C[C@H]2c2ccc(C)o2)cc1 72310535 AAZBZDPANUQYHR-INIZCTEOSA-N 395.502 2.687 0 40 GFAB COc1cc(NC(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)ccc1NC(C)=O 95427224 QQDJOZQGFQDEHR-HNNXBMFYSA-N 377.441 2.992 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccccc1Cl 28207438 FXPPFUMIHXAEAD-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(Br)c(O)c1 95978148 RKOMNGZWTJMDNV-UHFFFAOYSA-N 378.226 2.639 0 40 GFAB O=C(O)c1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccccc1F 95958210 KJIBEUPOQOGAOS-UHFFFAOYSA-N 396.465 2.878 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-n3nccc3C)cc2)c1C 9950770 LZVSHFHDJKXVEZ-UHFFFAOYSA-N 395.415 2.952 0 40 GFAB C[C@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C[C@@H](c2ccccc2)O1 78871840 GWQPZBGLNLQFMV-YWZLYKJASA-N 390.443 2.573 0 40 GFAB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCN(CCOc2ccccc2)CC1 22925696 VVZJONJQUQPYNC-IBGZPJMESA-N 396.535 2.776 0 40 GFAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408555991 BOZJBALOSOGSLF-CYBMUJFWSA-N 388.917 2.666 0 40 GFAB CCc1nnc(SCC(=O)Nc2cc(C)c(C)cc2Br)n1N 409006493 KAEVILILXBBHLA-UHFFFAOYSA-N 384.303 2.664 0 40 GFAB CC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 33325498 OWPFTAIVYGBTQH-GOEBONIOSA-N 375.494 2.746 0 40 GFAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72353658 MOGYTGCDUQYTMY-INIZCTEOSA-N 378.480 2.852 0 40 GFAB Cc1cccc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1 72376005 KEWYXBXBMOUOPK-OAHLLOKOSA-N 375.498 2.514 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCC2=CCCCC2)Oc2ccc(Cl)cc21 38852461 VXALJMWOCTYTJJ-KRWDZBQOSA-N 398.912 2.874 0 40 GFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-n1cnnc1 222819410 JHBQNIQJVCRZFJ-QZTJIDSGSA-N 381.509 2.784 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C)c2)cc1C 226060148 WWKOCIRFTYLMEY-UHFFFAOYSA-N 390.505 2.639 0 40 GFAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2Br)n[nH]1 225553350 NDSLLVFYTGSOOR-AWEZNQCLSA-N 377.242 2.639 0 40 GFAB Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1F 41091238 MGZUSHSWAXPZPB-KRWDZBQOSA-N 376.409 2.590 0 40 GFAB O=C(O)Cn1cc(CCN2CCC(c3ccc(Br)cc3)CC2)nn1 576406131 ZNRRDEGVCHRREZ-UHFFFAOYSA-N 393.285 2.547 0 40 GFAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC(Cc3ccccc3)CC1)CS2 90609557 JJKFJGRSYQHQOY-SFHVURJKSA-N 383.517 2.755 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)s3)C2)c1F 239578961 DCSDBAOOPRBAOO-SECBINFHSA-N 391.877 2.735 0 40 GFAB CC(C)Cc1sc(NC(=O)CCC(=O)Nc2nccs2)nc1C(=O)O 95478841 DTRSEBFNFNDLQF-UHFFFAOYSA-N 382.467 2.854 0 40 GFAB C[C@@](NCc1csc(-c2ccc(C(N)=O)cc2)n1)(C(=O)O)c1ccccc1 1593311279 DQDCVIKEXSCUMH-FQEVSTJZSA-N 381.457 2.999 0 40 GFAB Cc1ccc(N2CCC[C@@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)nn1 96217045 YCVBDBZDKHPJTK-JOCHJYFZSA-N 379.508 2.984 0 40 GFAB C[C@@H]1CCCCN1CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 248014886 FVTYKMBURSYQQQ-QRWLVFNGSA-N 393.491 2.773 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 257253620 JZPOAHUWPSQEJR-NRFANRHFSA-N 385.439 2.706 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 251170013 OQNMQDLVZAHZJL-QRFRQXIXSA-N 390.549 2.842 0 40 GFAB NCCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 257240149 HSFIEMWQVUBUMB-NJDAHSKKSA-N 384.476 2.505 0 40 GFAB CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)ccc1F 648524139 AAYPILMZUILXQF-KRWDZBQOSA-N 383.489 2.933 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NCCn3ccc(-c4ccccn4)n3)c2O1 96098903 YKABTSVUPZLDSD-UHFFFAOYSA-N 392.459 2.854 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@@H]2C)c1 585097157 GGUJGHQSGZCCAW-INIZCTEOSA-N 392.459 2.860 0 40 GFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(Cc3cnc(C)n3C)CC2)C1 72394409 UVGWZXGNRBARMJ-UHFFFAOYSA-N 382.508 2.813 0 40 GFAB O[C@@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 12292571 YTDVWPKJDIMCDL-FQEVSTJZSA-N 381.472 2.921 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2SC)ccc1OC 13683476 YWJGDLRSISQLRC-UHFFFAOYSA-N 380.491 2.968 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19234576 NKPHVJAVUYSGSZ-KCXPTXFHSA-N 396.418 2.516 0 40 GFAB COc1cc(CN2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc(OC)c1OC 19549777 HNMSQDLLKWVALE-OAHLLOKOSA-N 397.435 2.890 0 40 GFAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccccc1F)CC3 19550851 FPTRGVLKTYYRIX-UHFFFAOYSA-N 383.423 2.611 0 40 GFAB CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1oc3ccccc3c1C)C2 19705522 MZFSIFMIQQWJLQ-MRXNPFEDSA-N 393.447 2.672 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc(I)cc1 168093077 OEDCLHKPZZFZSE-GBOPCIDUSA-N 393.224 2.988 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@H](c2noc(-c3cnc(C)cn3)n2)C1 12187711 QUGROBGPZSTWHX-AWEZNQCLSA-N 379.420 2.863 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)cc2n1 12221503 BELSJTBOIVNNFQ-LLVKDONJSA-N 378.358 2.799 0 40 GFAB COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NC[C@@H]4CCCO4)C3)nn2)cc1 22481593 DUOONASBQCJNCJ-MJGOQNOKSA-N 396.491 2.664 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCC2 3322048 FGGRHSVNTAHTJV-UHFFFAOYSA-N 375.402 2.525 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCc1nc3ccccc3s1)C2=O 10054838 IGZHMZVTTTZUJN-UHFFFAOYSA-N 387.461 2.840 0 40 GFAB Cc1c(O)ccc2c(COC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc(=O)oc12 12760057 ICOFXFURNZJPFV-KRWDZBQOSA-N 380.352 2.632 0 40 GFAB Cc1ncn(CC(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)c(=O)c1C 1848629975 NXJFWEBZBOSQHX-UHFFFAOYSA-N 393.491 2.591 0 40 GFAB Cn1ccc(Nc2ccc(C(=O)N[C@@](C)(C(N)=O)c3cccc(Cl)c3)cc2)n1 1148313234 KNQUFHCUDLIXIO-HXUWFJFHSA-N 397.866 2.948 0 40 GFAB O=C(COc1ccc(Cl)cc1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 238831359 FZDSAUUNLWRPER-MRXNPFEDSA-N 388.807 2.555 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985597 PFJRKHSJLJDJEA-XLIONFOSSA-N 382.435 2.649 0 40 GFAB Cc1ncnc(OCC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C 1565520719 IZNCLDMVMGRGGN-LJQANCHMSA-N 383.448 2.551 0 40 GFAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 5223253 LWZSXLNLBCLJGB-JTQLQIEISA-N 392.502 2.628 0 40 GFAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(F)cc1 16980809 RDLDRIWWOYTFTK-UHFFFAOYSA-N 383.427 2.900 0 40 GFAB CC[C@H](C(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O)c1ccccc1 211074795 PGNYLGXJGVWNMV-KRWDZBQOSA-N 380.448 2.950 0 40 GFAB CCCCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596940 RLQMDRWVMQQVID-CQSZACIVSA-N 393.465 2.775 0 40 GFAB O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)c1c(F)cccc1F 585199985 GZMYIOXTAHAFAG-UHFFFAOYSA-N 384.386 2.755 0 40 GFAB O=S(=O)(NC[C@@H](OCCO)c1cccs1)c1ccc(C(F)(F)F)cc1 575620415 KIKZJZHCHDDHIV-CYBMUJFWSA-N 395.424 2.795 0 40 GFAB O=C(NCc1ccc(F)cc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147155 QHRSSLBGGXVLBL-CQSZACIVSA-N 395.232 2.741 0 40 GFAB O=C1[C@H](N2CCc3nc4ncc(Br)cc4cc3C2)CCN1C1CC1 2298050247 SPKKUQFKHYXSTJ-MRXNPFEDSA-N 387.281 2.514 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(C)(=O)=O)ccc32)cc1 5329069 LYYMNLFFNKXCTG-UHFFFAOYSA-N 380.491 2.508 0 40 GFAB O=C(Cn1ccc2cc(Br)ccc21)NCc1nnc2ccccn12 96117834 GAPNYWPRWASNRL-UHFFFAOYSA-N 384.237 2.763 0 40 GFAB O=C(c1ccccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450494 QESWOAFLXKWJEJ-UHFFFAOYSA-N 384.910 2.985 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2F)c2nc(Nc3ccccc3)cc(=O)n12 1016918 HQBGMDJPLUFXNW-UHFFFAOYSA-N 393.378 2.940 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1577795 VSXLHXWSMDZSOB-GDBMZVCRSA-N 376.453 2.634 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OCC)c1 2779911 ZFRADCKUZMYEJX-MRXNPFEDSA-N 376.434 2.614 0 40 GFAB COc1cc2cc3c(N)c(C(=O)NC[C@H]4CCCO4)sc3nc2cc1OC 4848871 MXMMJMNTXHRKFJ-LLVKDONJSA-N 387.461 2.958 0 40 GFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 6593576 SZWYUBRCAQCLJM-HZPDHXFCSA-N 382.526 2.709 0 40 GFAB CCN(CC)C(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 6593980 IQOGXBBPZPCQLA-ZENOOKHLSA-N 398.326 2.561 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 6596425 YSRBTLZFGKPIHV-OMXAPOSASA-N 375.421 2.793 0 40 GFAB CCCCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 6596933 QKVFXMMMTAZSNT-UHFFFAOYSA-N 377.304 2.522 0 40 GFAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)s1 6680730 WLCXMSIENGFSKW-UHFFFAOYSA-N 386.524 2.725 0 40 GFAB COc1ccc(OCC(=O)Nc2nn3c(-c4ccccc4)nnc3s2)cc1 6818231 NXWLRYVGLKBNFM-UHFFFAOYSA-N 381.417 2.879 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)CC)cc1Cl 7881261 TYWICKMZMMAUOU-GFCCVEGCSA-N 376.906 2.664 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 10112269 YNDIMHBASNTUDQ-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10315183 HLFTYWSSRZQVHN-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB O=C(c1cccnc1Cl)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 32754743 BZHWTJBGVSZLFF-UHFFFAOYSA-N 389.868 2.805 0 40 GFAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8273336 TYEVNBABXGCHDP-QGZVFWFLSA-N 396.871 2.949 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1ccccc1 8498127 QBYFHQIPQUGDMV-UHFFFAOYSA-N 396.534 2.875 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2cccc3cccnc23)cc1 32865462 SIMCNHCLPUQQPB-UHFFFAOYSA-N 384.457 2.684 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC[C@H](c1ccccc1)N(C)C 22794402 ZRLNCRBQGNJIRM-VQTJNVASSA-N 386.492 2.530 0 40 GFAB O=C([C@H]1CN(C(=O)c2cn3ccccc3n2)c2ccccc2O1)N1CCCCC1 12549818 RYFPYWWSMFAQBY-LJQANCHMSA-N 390.443 2.755 0 40 GFAB O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(OCC(F)(F)F)nc1 53990849 NVMPJHKNJAJEQH-UHFFFAOYSA-N 394.397 2.812 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1CCN(Cn2c(=S)oc3ccccc32)CC1 22922052 UPCZOJPHRUSYKE-MRXNPFEDSA-N 388.537 2.940 0 40 GFAB C[C@H](CNC(=O)[C@@H](C)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 24669972 MFAOHWGSGKMREO-IAGOWNOFSA-N 385.533 2.814 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)cnc21 25093436 CILGMOIYLRVBRE-HOTGVXAUSA-N 386.496 2.830 0 40 GFAB Cc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113958172 KEXXJFGEIGQTSE-CYBMUJFWSA-N 382.432 2.744 0 40 GFAB COc1ccc(CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1OC 27088076 HUXSLVQLLHUZJO-UHFFFAOYSA-N 395.459 2.922 0 40 GFAB O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 58008098 JEHMPNJCTQVGOL-UONOGXRCSA-N 388.855 2.565 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)cc1OC 3374361 TXKKOWFFNXARAQ-GFCCVEGCSA-N 389.404 2.905 0 40 GFAB O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 26744504 LFDHDQBYMZWODJ-UHFFFAOYSA-N 395.836 2.815 0 40 GFAB COc1ccc([C@@H](CNC(=O)CN2CCSC2=O)N2CCCCC2)cc1 27668203 BVSSNCWXXGGLDL-QGZVFWFLSA-N 377.510 2.507 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)s1 58216737 ASMUNOFQUNTVNE-UHFFFAOYSA-N 379.485 2.958 0 40 GFAB CC[C@@H](C)c1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 12798647 GYBOBNCNJNKKOL-OAHLLOKOSA-N 398.507 3.000 0 40 GFAB O=S1(=O)CC[C@H](Cc2nnc(SCc3cccc4cccnc34)o2)C1 58472248 OCWUOAACUPQNPX-GFCCVEGCSA-N 375.475 2.887 0 40 GFAB Cc1cc(=O)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nn1-c1ccccc1 12794936 LWFXHQWCMRQIAQ-LJQANCHMSA-N 388.471 2.545 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1OC 2396515 ZCECJCLVCGFLGQ-UHFFFAOYSA-N 391.497 2.788 0 40 GFAB O=C(CSc1nnnn1CCc1cccs1)N1CCc2sccc2C1 10985525 NTKBYPSKIHWTJJ-UHFFFAOYSA-N 391.547 2.716 0 40 GFAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C1CCCCC1 48340884 TWISVOFVKWIHGY-IBGZPJMESA-N 397.523 2.949 0 40 GFAB CCOc1ccc(CN(CC)CC(=O)Nc2sccc2C(N)=O)cc1OC 12895675 YPPIJUGWEVSKDR-UHFFFAOYSA-N 391.493 2.715 0 40 GFAB Cc1cccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1C 12914643 WXXNOKNQOYWYFG-MRXNPFEDSA-N 376.478 2.524 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCc1ccccc1Cl 3600693 XBXMQDIZQNWLDI-OAQYLSRUSA-N 397.862 2.740 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 8421684 MNOGLNDGQVTNSH-MRXNPFEDSA-N 387.505 2.742 0 40 GFAB CC(C)[C@@H](C(=O)NC1CC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4083802 UWZYFRAAONHVCD-JTSKRJEESA-N 394.475 2.507 0 40 GFAB biogenic O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(I)cc1 13615600 BNGSBGUINYKDPI-DJBIQUGXSA-N 379.197 2.993 0 40 GFAB Cc1nc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)nn1-c1ccc(F)cc1 65477903 ANQPPCLDHDBUBR-NSHDSACASA-N 379.395 2.700 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(Br)n1 65548665 SOWFPRUOMAKITA-UHFFFAOYSA-N 390.237 2.988 0 40 GFAB Cn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nnc1-c1ccco1 5864954 BQYBVFSSDCWDHA-UHFFFAOYSA-N 397.460 2.698 0 40 GFAB CCc1ccc(-c2nnn(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)cc1 7041658 KNNZWBUJVBLSRM-AWEZNQCLSA-N 390.447 2.666 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 7114872 WLCWZCUNPAXJQV-VQIMIIECSA-N 384.501 2.658 0 40 GFAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022115 HLHRORSILUDCPX-LKWXMQFFSA-N 389.883 2.515 0 40 GFAB Cc1ccc(OCC(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C)c1 68486200 BAASVQDFBNPFHG-OAHLLOKOSA-N 376.478 2.549 0 40 GFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nnc(CC(C)C)s3)n2)cc1 9043102 NRNICSCPPZGKNE-UHFFFAOYSA-N 399.476 2.934 0 40 GFAB O=C1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CCN1C1CC1 93444499 UCKVZVWFUNBRLW-UHFFFAOYSA-N 375.270 2.646 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](Cn1cncn1)c1ccccc1 89644262 RVINVIZBDMDHES-QGZVFWFLSA-N 383.839 2.736 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccnc1OC1CCCC1 97064082 QUUPWRALVUGENC-HDICACEKSA-N 399.491 2.585 0 40 GFAB O=C(O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1 113875659 KYYXFQWHQIQLPB-UHFFFAOYSA-N 388.214 2.868 0 40 GFAB O=C(CN1CC[C@H]2CCOC(=O)[C@@H]21)Nc1ccccc1C(=O)Nc1ccccc1 95976349 PZCMPPNSIRKJQT-MGPUTAFESA-N 393.443 2.515 0 40 GFAB C[C@H](NC(=O)CCn1cnc2sccc2c1=O)[C@H](O)c1ccc(Cl)cc1 95972129 PFQLSBMXIJPTPH-ZBEGNZNMSA-N 391.880 2.740 0 40 GFAB O=C(NCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)NCc1ccccc1 29268494 NDVGZNCUVJSSAD-UHFFFAOYSA-N 391.475 2.768 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)c1 409017306 MJOPYNIRDJTVKA-WOJGMQOQSA-N 379.416 2.843 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408554384 CODIKZXPVKKTSH-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB O=C(c1ccsc1)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306137545 QZKXEMBIYSYLRX-ROUUACIJSA-N 378.457 2.666 0 40 GFAB COc1cccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 306139383 SVWCZTZYFSVKMK-FGZHOGPDSA-N 388.471 2.973 0 40 GFAB CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2c(C)nn(C)c2C)cn1 36615287 CDBCXGAQRSWSAH-UHFFFAOYSA-N 387.509 2.644 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1F 30326184 UQOMHSNZHYTOPJ-UHFFFAOYSA-N 378.469 2.909 0 40 GFAB COCCNC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCC2 71195086 VPBJFLHSZVFPAK-UHFFFAOYSA-N 377.466 2.860 0 40 GFAB C[C@H]1CN(c2nc(O)c3c(n2)CN(C[C@@H](C)c2ccccc2)CC3)C[C@@H](C)O1 72335495 FABMBFBEXQWRLX-ZACQAIPSSA-N 382.508 2.958 0 40 GFAB Cc1c(NC(=O)c2cc3occc3n2Cc2ccc(F)cc2)c(C(N)=O)nn1C 36365104 AHDPMCZYMSYXSY-UHFFFAOYSA-N 395.394 2.815 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCCCCC2)Oc2ccccc21 30944133 CJBSJFSTNSUHMR-SFHVURJKSA-N 380.510 2.833 0 40 GFAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)NC1CCN(C2CC2)CC1 124065537 JEMKNMPVSCJNIG-UHFFFAOYSA-N 392.494 2.855 0 40 GFAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)COC)C1 72391306 PLLCXWDEQGCEGU-HSZRJFAPSA-N 395.503 2.682 0 40 GFAB O=C(CCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1 36707982 SBFGQHHBYIOHAH-UHFFFAOYSA-N 376.460 2.870 0 40 GFAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)COCC2)c1c(F)cccc1F 225580592 IHBGDQOERHABAY-UHFFFAOYSA-N 387.308 2.819 0 40 GFAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1N(C)S(=O)(=O)c1ccccc1 224291345 RAJPPRBYTMJAQK-KRWDZBQOSA-N 388.489 2.729 0 40 GFAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)[C@@H]1CN(C)C2 96143828 WMYKAHXHKZBESV-LAUBAEHRSA-N 389.927 2.650 0 40 GFAB CC(=O)NCC(=O)N[C@@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 96079105 OOXAZGIHPHRZTE-OAQYLSRUSA-N 377.488 2.922 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncnc5ccsc45)CC3)nn2)n1 266222600 HZMKIIXJEXVOBP-UHFFFAOYSA-N 392.492 2.610 0 40 GFAB O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc(Cl)c(Cl)c1 95116122 GAFWIBUUFATABO-UHFFFAOYSA-N 387.292 2.972 0 40 GFAB CCN1C[C@]2(CC1=O)CN(Cc1ccoc1)CCN(C(=O)Nc1ccccc1)C2 96036254 MJMKBXOTMMTJBP-QFIPXVFZSA-N 396.491 2.868 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(C)CC2CCN(C)CC2)[C@@H]1c1ccccc1F 257252192 JTWLHRVSZAIWAB-NQIIRXRSSA-N 389.515 2.926 0 40 GFAB Cc1ncsc1CN1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257242407 ICIHNJVDWPGWFF-CQSZACIVSA-N 384.509 2.576 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 260832752 LQTABUUEPYTEJA-MGPUTAFESA-N 386.473 2.859 0 40 GFAB Cc1cc(CN2CCC[C@@]3(CCCN3C(=O)c3snnc3C)CC2)n(C)n1 585100609 PMAIICMHUKGROH-LJQANCHMSA-N 388.541 2.549 0 40 GFAB COc1cc(CNS(=O)(=O)c2ccccc2)ccc1OC[C@H]1CCCO1 56060767 LOVOBJRIGGIYGI-MRXNPFEDSA-N 377.462 2.732 0 40 GFAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1c(C)cc(Cl)c2ccccc12 666726954 QENHISFVNOZMFF-CABCVRRESA-N 382.869 2.735 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 187551779 CSDOYMFNTZUCMM-UHFFFAOYSA-N 391.821 2.977 0 40 GFAB O=C1C[S@@](=O)[C@H](c2ccccc2)C(=O)N1c1ccc(Br)cc1 5279691 OPYZBTONNAVBLW-QRQCRPRQSA-N 378.247 2.812 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)n12 12181916 CBOTYXZGQSBJBG-GJZGRUSLSA-N 381.480 2.672 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cn(C)nc4C)C3)cc2n1 12258041 UGHDIWIHCKISDW-GFCCVEGCSA-N 392.385 2.728 0 40 GFAB COc1ccc2[nH]c(C(=O)NCCCC(=O)Nc3ccccn3)cc2c1OC 12325092 WZHVVJIGRCGEAR-UHFFFAOYSA-N 382.420 2.729 0 40 GFAB Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCCC3)nc2-c2ccco2)on1 13226207 SLLGLCZEFSIBBB-UHFFFAOYSA-N 382.420 2.916 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1 15674497 UDTSWZVIXMSLME-UHFFFAOYSA-N 380.495 2.519 0 40 GFAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c(C)c1C 16682989 XWSRQGLZQSZVSE-UHFFFAOYSA-N 381.479 2.664 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OC(F)F)cc1 18117871 VFATWQWJQCRPKE-UHFFFAOYSA-N 381.379 2.871 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 19590292 BWEZXMVFJAXVPZ-HXUWFJFHSA-N 380.492 2.769 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 19868479 ADPSEXHWASRMNB-ZSZQSSIHSA-N 394.512 2.672 0 40 GFAB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 8477289 DZAPJFHDAHWOOV-UKTHLTGXSA-N 393.237 2.862 0 40 GFAB O=C(NCc1ccccc1Cn1cccn1)c1ccnc(NC(=O)C2CC2)c1 505881810 SNIWEFMEDZLPPX-UHFFFAOYSA-N 375.432 2.605 0 40 GFAB CC(C)NC(=O)Cn1c(SCC(=O)Nc2nccs2)nc2ccccc21 4859284 IBZIIHOZYHSMSZ-UHFFFAOYSA-N 389.506 2.748 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)s1 12749789 KRSHNJKWVIFEGK-UHFFFAOYSA-N 396.476 2.732 0 40 GFAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)Cc3cccc(F)c3)C1)CNC2=O 19562830 PGFYZBJOIQKQCG-JOCHJYFZSA-N 398.434 2.560 0 40 GFAB FC(F)(F)c1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1 1888900863 XXLPWFMBKDNJIW-UHFFFAOYSA-N 389.385 2.902 0 40 GFAB O=C(Cn1ccc2ccccc21)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888918240 IHOPUGZHJXSPGK-UHFFFAOYSA-N 395.438 2.502 0 40 GFAB O=C(c1ccncc1F)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889125148 SDCMCKSTDJJBRP-ABAIWWIYSA-N 380.345 2.985 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4cc(C5CCC5)ncn4)CC3)ncn2)n1 1889186469 DBVNYKTXTVEZNJ-UHFFFAOYSA-N 390.495 2.663 0 40 GFAB Brc1ccccc1CN1CCN(c2ccc(-n3cccn3)nn2)CC1 1889199856 ZINAXWPQHPAJAX-UHFFFAOYSA-N 399.296 2.747 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 33005396 NQNJLPKKAQWSPU-HNNXBMFYSA-N 380.872 2.652 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1ccco1)c1cccs1 240122583 WDKUVLXBLJFEKT-FQEVSTJZSA-N 388.489 2.700 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCCn1c(C)nc2sccc2c1=O 244933068 BZMIKLRRINGZKM-UHFFFAOYSA-N 377.853 2.858 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)c1 2037913119 SYYVNUJTPWPZBZ-OAQYLSRUSA-N 389.423 2.889 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@@H]3C)CC2=O)cc1OC 4374615 OGPZYSWISRURHO-HOCLYGCPSA-N 395.459 2.970 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)cc1 4518484 JGCRLDAJDZDTSV-UHFFFAOYSA-N 385.449 2.607 0 40 GFAB CCOc1ccc(NC(=O)NCCCn2nc(-c3ccncc3)ccc2=O)cc1 11747127 YBBPPPMHKARXAE-UHFFFAOYSA-N 393.447 2.916 0 40 GFAB O=C(NCCCn1nc(-c2cccs2)ccc1=O)Nc1ccc2c(c1)OCO2 13802908 ZNCLACBMPSGYGQ-UHFFFAOYSA-N 398.444 2.912 0 40 GFAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)c2c1 20380860 SVBUEGLFYTYVKQ-UHFFFAOYSA-N 384.457 2.913 0 40 GFAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1 206679975 GJDVPHJJDNXOGH-UHFFFAOYSA-N 397.456 2.893 0 40 GFAB Cn1c(-c2cccs2)nn(CCNC(=O)c2ccccc2C(F)(F)F)c1=O 36708589 SDYDZLMYPJOYOT-UHFFFAOYSA-N 396.394 2.759 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38730651 YYFFKOGTMGTPGE-HOTGVXAUSA-N 394.500 2.572 0 40 GFAB Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccc(F)cc2)CC1 49007618 CIMBXDAUQDUCPY-UHFFFAOYSA-N 383.452 2.889 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](Oc2ccncc2Cl)C1 575611156 ASBRMGGBKODXGE-AWEZNQCLSA-N 398.850 2.515 0 40 GFAB c1cc(CNc2ncnc3c2ncn3C[C@H]2CCCO2)cc(N2CCCC2)n1 2298086968 WCBYMRLOZHEQEF-MRXNPFEDSA-N 379.468 2.613 0 40 GFAB O=C(CSc1nnc2n(-c3ccccc3)c(-c3ccccc3)nn12)NC1CC1 40090169 DGWLREROLQYSBC-UHFFFAOYSA-N 390.472 2.953 0 40 GFAB COCCn1c(S[C@H](C)C(=O)N2CCOCC2)nc2cc(Cl)ccc21 40161919 FTLOUQFBNHVWJZ-GFCCVEGCSA-N 383.901 2.676 0 40 GFAB CCOC(=O)N[C@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)C(C)C 30705235 SRLNDDRRDXJAJK-AWEZNQCLSA-N 378.454 2.964 0 40 GFAB COc1ccc2nc(C)c(C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2c1 30720218 TUGGDPVAOOBXMR-KCQAQPDRSA-N 386.448 2.733 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(N)nc(N)n1)c1ccccc1 11232923 TWZWUIJIJNHKEU-HNNXBMFYSA-N 396.476 2.825 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)c1 100776684 UNMMMMJFQWOLTJ-FHWLQOOXSA-N 397.862 2.884 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)n3nnc(-c4ccc(F)cc4)n3)ccc21 31650990 VLRFIDGSLBKYBL-LBPRGKRZSA-N 379.395 2.832 0 40 GFAB Cc1cc(S(=O)(=O)NCc2cccnc2-n2cccn2)ccc1OC(C)C 45742604 VFTAIVMJXFCEMH-UHFFFAOYSA-N 386.477 2.841 0 40 GFAB CCC(=O)Nc1cccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccc(OC)cc2)c1 1088748 MIWNSJAWUCFBSM-IBGZPJMESA-N 388.445 2.504 0 40 GFAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C2CC2)c(C(N)=O)c1C 1368386 OEPYVKFIBGVYOP-UHFFFAOYSA-N 385.489 2.841 0 40 GFAB COc1ccc2cc(CN(CCCO)C(=O)c3ccc(C)cc3)c(=O)[nH]c2c1 4231068 JTNXXNPBVYGBAR-UHFFFAOYSA-N 380.444 2.870 0 40 GFAB O=C(c1ccn(C(F)F)n1)N1[C@@H]2CC[C@@H]1CC(O)(c1ccc3c(c1)OCO3)C2 100773890 JEWOWJUDTOCDRT-CHWSQXEVSA-N 391.374 2.662 0 40 GFAB COC(=O)c1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)ccc1Cl 10000412 DQGDJBCAWUVLJI-UHFFFAOYSA-N 391.763 2.651 0 40 GFAB O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 32773410 GWQFRFJNZALSHC-QGZVFWFLSA-N 375.856 2.818 0 40 GFAB Cc1ccc(-c2noc(CCC(=O)NCc3nnc4n3CCCCC4)n2)cc1 32841625 RVRSAMDPFUDOOG-UHFFFAOYSA-N 380.452 2.612 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1=O 46242001 YEXNWLYKWDINEJ-ZDUSSCGKSA-N 385.851 2.993 0 40 GFAB CC(C)CNC(=O)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 32945355 YHJPWBLSEAAFFB-ZDUSSCGKSA-N 385.464 2.931 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc12 32909659 SGEURWSJFACRPT-KRWDZBQOSA-N 379.420 2.647 0 40 GFAB O=C1COc2cc(C(=O)Nc3ccc(I)cc3)ccc2N1 21888292 VKVGNZAGEJZWPQ-UHFFFAOYSA-N 394.168 2.874 0 40 GFAB CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 103476358 JQPRIGWPHWWGFX-KRWDZBQOSA-N 397.527 2.501 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc12 22473005 UMIWKVOAMYADOB-UHFFFAOYSA-N 385.811 2.867 0 40 GFAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 22409387 OPDSRUGESVTWTG-LLVKDONJSA-N 379.309 2.872 0 40 GFAB O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1Cc1ccco1 978529 VAUJNXMUFFVKPL-UHFFFAOYSA-N 385.379 2.834 0 40 GFAB CC(C)C[C@H](C(=O)Nc1ccc(N(C)C)nc1)N1C(=O)c2ccccc2C1=O 24097205 BNIUTEXJINTQRT-QGZVFWFLSA-N 380.448 2.797 0 40 GFAB Cc1ccnc(NC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)c1 47261726 HMWYSJBPVMTNLN-UHFFFAOYSA-N 388.418 2.957 0 40 GFAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC(=O)c1ccccc1O 3028176 KQKARYDNLOZKIK-UHFFFAOYSA-N 380.400 2.505 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 12554854 UBXGFBRAYKGKOR-ZDUSSCGKSA-N 384.436 2.594 0 40 GFAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(CN2C(=O)CCC2=O)cc1 25683213 YPDVGTJPOZLKIC-UHFFFAOYSA-N 399.472 2.546 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc4cn[nH]c4c3)ccc21 25790831 JGUNFASVAFJBSO-GFCCVEGCSA-N 377.400 2.900 0 40 GFAB CC(C)CNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230935 ZACWUJVCHMZJIQ-UHFFFAOYSA-N 390.505 2.804 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(OC(C)C)cc2)cc1 43848792 ZWPWQUAMHJMWEU-UHFFFAOYSA-N 399.447 2.698 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2cc(C)[nH]c2c1=O 57522061 KSKSBJWVLZSAND-UHFFFAOYSA-N 399.476 2.742 0 40 GFAB CC1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 12527184 ZIHAYQFSAKUUJI-UHFFFAOYSA-N 393.553 2.846 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1F)N[C@@H]1CCCc2ccccc21 3249076 YIZQRJXDUNDACZ-QGZVFWFLSA-N 376.453 2.688 0 40 GFAB CCn1c(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc2ccccc21 48365839 SSHGTVRWZFEQAB-UHFFFAOYSA-N 396.535 2.822 0 40 GFAB CCCc1nnc(S)n1CC(=O)/N=c1\[nH]c2ccccc2n1-c1ccccc1 48362895 JVARZEZBPHPORT-UHFFFAOYSA-N 392.488 2.919 0 40 GFAB CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 3520868 RSQNIUFNWGGRHT-ZDUSSCGKSA-N 390.461 2.641 0 40 GFAB CC(C)(C)c1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)n(Cc2ccccc2)n1 13008595 NXYGNEHVKOWYQQ-HNNXBMFYSA-N 375.494 2.602 0 40 GFAB COc1ccc(CCNC(=O)c2cn(-c3cccc(Cl)c3)nn2)cc1OC 13355724 LGEXXAGQIQGBIA-UHFFFAOYSA-N 386.839 2.910 0 40 GFAB Cc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1 4119494 JZWYIRYKKYBXJU-MSOLQXFVSA-N 399.450 2.780 0 40 GFAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NC[C@@H]1CCCO1 6225839 KDXGFAVZYFGOLJ-LBPRGKRZSA-N 397.298 2.622 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 6325261 FHFBYRPRZIBKTN-UHFFFAOYSA-N 389.477 2.928 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3ccccc3)o2)C1 65575811 CKYXAQGIEHOVRJ-INIZCTEOSA-N 376.478 2.625 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 6810349 VCGJNCHGEYQXAC-KRWDZBQOSA-N 391.489 2.800 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1OC 6848536 OKWDFPZDQGBIDJ-UHFFFAOYSA-N 399.852 2.576 0 40 GFAB O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCN(c2ccccn2)CC1 67284710 SDVHZHCEUKSBRN-UHFFFAOYSA-N 383.843 2.559 0 40 GFAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc(Cl)cc1 8743014 NKZRUIYEXJKEQX-UHFFFAOYSA-N 386.839 2.515 0 40 GFAB Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1oc(-c3ccccc3)cn12 8706199 RMQPSVKUOIIPIW-UHFFFAOYSA-N 390.374 2.795 0 40 GFAB COc1ccccc1C(=O)COC(=O)[C@@H](C)NC(=O)c1ccccc1Cl 7777967 HTMZCRWUQQHWTQ-GFCCVEGCSA-N 375.808 2.893 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N(CC)CC)cc1 9238998 TWUJLCJLIUUOQZ-JKSUJKDBSA-N 375.498 2.613 0 40 GFAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 9418471 MPFJWUOFCHWNER-MSOLQXFVSA-N 388.514 2.970 0 40 GFAB CC(=O)N(CCC(=O)N[C@H]1CCCn2nc(C(C)C)nc21)Cc1ccccc1 95410197 JMBMKPPQTHWKSS-SFHVURJKSA-N 383.496 2.791 0 40 GFAB Cc1ccn(-c2cccc(NS(=O)(=O)c3ccc(C(=O)O)cc3F)c2)n1 78938633 RCFQBWOIPYBJOD-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2nc3ccccc3[nH]2)c1 9902840 HDCLTHGGZSLPGF-UHFFFAOYSA-N 377.448 2.833 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCCC2)cc1C 408583328 HMIWYCDCWAPNIU-HNNXBMFYSA-N 382.526 2.900 0 40 GFAB COCC(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 72352648 JDVRSOCLPNTHKW-ZDUSSCGKSA-N 396.472 2.906 0 40 GFAB CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)[C@H]1CO 72321470 NYRAOZFJAHDTHN-SJLPKXTDSA-N 392.814 2.622 0 40 GFAB biogenic,in-vitro O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655980 XBCIAHGLSRIMTF-ZDUSSCGKSA-N 384.390 2.796 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCC(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325670 SPSCMOJSXRMMFQ-KRWDZBQOSA-N 389.521 2.912 0 40 GFAB CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(OC)c1)C(=O)C2 72371891 KQZXCBJHTKHZSZ-SFHVURJKSA-N 394.475 2.956 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCc1cccnc1-c1cccs1 225761309 XEICORRTXUHUBM-UHFFFAOYSA-N 376.441 2.836 0 40 GFAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)Nc1ccc(F)c(Cl)c1 40072676 HSLZTWGIQWQTTP-UHFFFAOYSA-N 383.832 2.666 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)c1 225363680 RPIMWRDCGAYXGM-OAHLLOKOSA-N 377.462 2.836 0 40 GFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225531450 BBUDIBPANCBICU-ATNYBXOESA-N 380.485 2.531 0 40 GFAB Cc1ccsc1C(=O)N1CCc2nc(-c3cnn(C)c3)nc(N(C)C)c2C1 96254072 OLDYQUHOCNJNKQ-UHFFFAOYSA-N 382.493 2.512 0 40 GFAB Cc1cccc(N2C(=O)c3cccc4c(N(CCO)CCO)ccc(c34)C2=O)c1 95470893 KFXAMNNQAAQJEU-UHFFFAOYSA-N 390.439 2.740 0 40 GFAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCC(F)(F)CC2)n1 604382231 LTOLZXYYIHXIBS-BRSBDYLESA-N 397.510 2.842 0 40 GFAB biogenic,in-vitro O=C(Cc1cc(C(F)(F)F)ccn1)N[C@@H]1CCS(=O)(=O)c2ccccc21 623719885 NVBCDVIAUOGCRQ-CQSZACIVSA-N 384.379 2.678 0 40 GFAB O=C1[C@@H](O)CCCCN1CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 644405041 GDQJRUFOBGIBNM-YADHBBJMSA-N 392.499 2.729 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)O)C1 584907172 CUDDDUXLUVIDES-LIRRHRJNSA-N 378.425 2.766 0 40 GFAB COc1cc(OC)nc(N2C[C@H]3c4ccccc4[C@@H](NC(=O)C(C)(C)C)[C@H]3C2)n1 585109573 XIAIIALNLKXEDF-TXPKVOOTSA-N 396.491 2.931 0 40 GFAB O=C(NC1CCN(C(=O)NC[C@@H]2COc3ccccc3C2)CC1)c1ccsc1 56575384 CZOMHPMQZDVEGB-OAHLLOKOSA-N 399.516 2.903 0 40 GFAB CC(C)CN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 105728489 INIFLNBTIYEZSM-LPHOPBHVSA-N 398.511 2.927 0 40 GFAB O=C1NCC2(CCN(C[C@@H]3COc4ccccc4O3)CC2)N1c1ccccc1 5941814 LDOBJJZKPRYYIQ-GOSISDBHSA-N 379.460 2.891 0 40 GFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@@H]4CCCCO4)nn3cn2)cc1 12085196 GHOLWYNZVHKUOK-YOEHRIQHSA-N 395.463 2.936 0 40 GFAB CN(C)[C@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 12203737 BBJZACQAJAKYRJ-BEFAXECRSA-N 388.851 2.791 0 40 GFAB Cc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1 12366330 XDXMEFXISZGGRX-DETIRCLXSA-N 379.504 2.987 0 40 GFAB CC(=O)Nc1ccc([C@@H]2CN(Cc3cccc(C)n3)C[C@]23CCCC(=O)N3)cc1 19236334 JRFDFXOCCZHNJF-JTHBVZDNSA-N 392.503 2.987 0 40 GFAB CCN(CC)CCNCc1ccccc1OCC(=O)NCCc1ccccc1 19366911 CUMZGHQIZRXHDF-UHFFFAOYSA-N 383.536 2.856 0 40 GFAB CCn1c(CN2CCc3nc4c(C)csc4c(=O)n3CC2)cnc1SC 19524184 UJJZPRVAIVLMRG-UHFFFAOYSA-N 389.550 2.763 0 40 GFAB COCCN1CCN(C(=O)c2ncoc2-c2ccccc2C(F)(F)F)CC1 19593409 FLECTAHWXCWQCX-UHFFFAOYSA-N 383.370 2.765 0 40 GFAB Cc1ccc(NCc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N(C)C 19715903 UQRIAYVEFJCRRH-UHFFFAOYSA-N 387.505 2.984 0 40 GFAB O=C(NCCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 19748109 XXOOTMCECBRYII-MRXNPFEDSA-N 380.473 2.512 0 40 GFAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c1 6326233 YAONECSGFCZTCC-NVNXTCNLSA-N 378.450 2.512 0 40 GFAB Cc1ccc2cccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2n1 19665668 ZRPVPLMBQRNXIG-QFIPXVFZSA-N 388.427 2.949 0 40 GFAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC1CCCCCC1 8987956 CYIPVDLOJYUIBQ-UHFFFAOYSA-N 375.469 2.507 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1 16180283 UXQCSDWNHWLNKT-UHFFFAOYSA-N 376.522 2.883 0 40 GFAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1ccccc1OC(F)(F)F 1888864098 LNOLUQFJCMSENQ-UHFFFAOYSA-N 395.259 2.591 0 40 GFAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 25332036 GXERFDZJDDMCOE-GDBMZVCRSA-N 375.494 2.612 0 40 GFAB COCCN1CCCC2(CCN(C(=O)c3cc(OC)ccc3Cl)CC2)C1=O 1565553818 KGSXKYZWSWUTIM-UHFFFAOYSA-N 394.899 2.840 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 4165976 ZORCAGGKFBAMNB-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 4569575 JGRXHVNEOYMSSP-CQSZACIVSA-N 384.910 2.985 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nc3ccc(F)cc3s2)CC1 4583461 DYFQNJULBXOWJY-KRWDZBQOSA-N 399.447 2.924 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCCn1nc(-c2cccs2)ccc1=O 8954826 KXKSAYCHTLLHTQ-UHFFFAOYSA-N 389.864 2.820 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc(C)cc(C)c3)n2)cc1 9660858 USWQGQCWUGMXJP-UHFFFAOYSA-N 377.444 2.966 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccc(C)c(C)c4)[C@H]3C2=O)c1 101260823 PSHHJFGMIIAYME-ZWKOTPCHSA-N 380.404 2.818 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1 42382830 RCNSIWWVLZTUCU-UHFFFAOYSA-N 385.493 2.548 0 40 GFAB COc1cccc(CN2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)c1 575414168 DQAVZXXOFOKECF-UHFFFAOYSA-N 387.505 2.861 0 40 GFAB O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(Br)cn2)CC1 585501650 ARARMYJRNRZDFO-UHFFFAOYSA-N 390.285 2.590 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100395049 YVPPPSSLWAFOTN-LUVWLHFXSA-N 383.444 2.994 0 40 GFAB Cc1ccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)cc1 31451459 RLDXHVQAZMURLY-UHFFFAOYSA-N 379.338 2.501 0 40 GFAB CCN1CCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 29117819 FJYSFQZEUVSREY-UHFFFAOYSA-N 378.929 2.963 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1 3432039 VTYQWKHWTQJKGP-UHFFFAOYSA-N 387.288 2.542 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 29488371 QEEXGARGBQAMRP-UHFFFAOYSA-N 376.453 2.582 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 3634766 PTXNSHOCDAIRAP-UHFFFAOYSA-N 380.510 2.759 0 40 GFAB CCn1c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)nnc1C(C)C 4355113 HPSWBZCLGMHDAX-UHFFFAOYSA-N 383.499 2.704 0 40 GFAB COc1cccc(C(=O)Nn2c(CC(C)C)nc3ccccc3c2=O)c1OC 4891109 PMGIADSCEYAMLO-UHFFFAOYSA-N 381.432 2.996 0 40 GFAB Cc1ccc2c(COC(=O)c3cccc(NS(C)(=O)=O)c3)cc(=O)oc2c1 21167337 VGNMQRLCZZUCLC-UHFFFAOYSA-N 387.413 2.830 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C2SCCCS2)c1 32711547 PGWAJXLUCBVXBZ-CQSZACIVSA-N 386.564 2.918 0 40 GFAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 107360229 HHAIAFCNZAAASH-UHFFFAOYSA-N 379.434 2.610 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1 8477158 YRAPVKBEHXAMGE-UHFFFAOYSA-N 396.509 2.644 0 40 GFAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCCC3)cc1 8976694 DKXFGPSSNDOJNO-UHFFFAOYSA-N 375.450 2.589 0 40 GFAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N3CCNC3=O)n2n1 21722517 ZUWNAMQTOPFWHV-UHFFFAOYSA-N 381.461 2.657 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)cc(-c4cccnc4)n3)C2)CC1 100744312 GXIPKSOFAANGCW-OIISXLGYSA-N 382.464 2.765 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)C2)cc1 100359054 DWOBIUSWWAXKKO-YWTNHNAXSA-N 376.522 2.701 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ccccc3OC)CC2)c1C 37227808 KNJJKUFCJGASEE-UHFFFAOYSA-N 399.491 2.822 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@H]2CC[C@H]3N2Cc2ccncc2)cc1 100221793 WUQMYQVPVUHAJM-YLJYHZDGSA-N 394.500 2.933 0 40 GFAB CN1C(=O)c2ccc(C(=O)OCc3cc(Cl)cc4c3OCOC4)cc2C1=O 24710625 ULHLTWHSMGOLKQ-UHFFFAOYSA-N 387.775 2.789 0 40 GFAB COc1cccnc1CCCCNc1ncc(Cc2ccc(C)nc2)c(=O)[nH]1 8144430 GJCSPRIRQYWXRW-UHFFFAOYSA-N 379.464 2.903 0 40 GFAB in-man CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3cccs3)ccc21 8193780 SWOWXKYMYQFJEZ-UHFFFAOYSA-N 379.459 2.500 0 40 GFAB Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1OCCN1CCC(C)CC1 57823203 RAVXFAGZKLYXJR-UHFFFAOYSA-N 392.525 2.640 0 40 GFAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 108454704 GHHZOBDWKXPDHQ-GOSISDBHSA-N 399.422 2.560 0 40 GFAB COc1cc(CNCCNC[C@H](C)O)cc(Cl)c1OCc1ccccc1 22075716 GEBUBDWJNXUDKS-HNNXBMFYSA-N 378.900 2.988 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 12568718 PXXWHCCKTAEYRE-CRTZDJKQSA-N 379.407 2.521 0 40 GFAB NC(=O)[C@H](OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 10126470 DNKOKPKBMLXAPM-OAHLLOKOSA-N 377.322 2.825 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(F)cc2)n2nnnc2N3)c1 10296860 AJPANXRGGKTFLK-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB Cc1ncc(CN(C)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)s1 58298595 AEGOTGDGSZGBQO-UHFFFAOYSA-N 388.493 2.517 0 40 GFAB CCc1nnc2c(N(C)S(=O)(=O)c3ccc(C)cc3)nc3ccccc3n12 2213265 BQHVLTXJLMWCJM-UHFFFAOYSA-N 381.461 2.973 0 40 GFAB O=C1CN(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2N1 3294841 BDWVXCAYURXSPV-UHFFFAOYSA-N 394.305 2.727 0 40 GFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1ccc(Cl)cc1F 12606467 VGQIIJYAKYXBJH-SNVBAGLBSA-N 397.859 2.516 0 40 GFAB COc1ccc(CNC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 3368088 CQBRPQSSLDEBEU-UHFFFAOYSA-N 383.477 2.696 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc1OC 3385548 LLTXITZXAUQRRJ-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 3370352 WLAKHUIWBDBPTA-GOSISDBHSA-N 393.487 2.787 0 40 GFAB COc1ccccc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O 3477592 ROUHWGQOLJUPMG-UHFFFAOYSA-N 381.457 2.765 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cnc3ccsc3c2=O)c1 12986483 IUZHNEGCHKCIFL-MRXNPFEDSA-N 399.472 2.839 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1C 408550177 AWSJQPYAEAYYOS-HNNXBMFYSA-N 380.510 2.677 0 40 GFAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC1CCN(S(C)(=O)=O)CC1 48710785 CXKRDJHQSZSNRU-UHFFFAOYSA-N 396.944 2.656 0 40 GFAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 62906418 RKXMAYJEPFYJJF-INIZCTEOSA-N 399.491 2.661 0 40 GFAB COc1cc(CNC(=O)c2cncc(Br)c2)cc(OC)c1OC 8361468 FFGJVNWZYHJSNN-UHFFFAOYSA-N 381.226 2.800 0 40 GFAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985424 XZVWHWXQBPWNLV-GOSISDBHSA-N 388.489 2.686 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccnc2)o1 6100446 YHVVECQCJCWHEJ-MRXNPFEDSA-N 382.445 2.540 0 40 GFAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCCC1 6202990 XCCSZWPTZAOCFK-UHFFFAOYSA-N 380.510 2.607 0 40 GFAB CC1(C)C[C@@H](NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CCO1 71284757 PTXJSDSFGKXEQF-ZDUSSCGKSA-N 375.856 2.638 0 40 GFAB Cc1nc2cc(NC(=O)CN3C(=O)NC(C)(C)C3=O)ccc2n1-c1ccccc1 6657760 RJZVLXYUMQGKAW-UHFFFAOYSA-N 391.431 2.603 0 40 GFAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1CCCc2ccccc21 20013216 LGPJUVNRGQJWMN-HXUWFJFHSA-N 386.517 2.685 0 40 GFAB O=C1/C(=C/NCCCN2CCOCC2)c2ccccc2C(=O)N1c1ccccc1 20533176 SEFULLGJNFBVQV-HEHNFIMWSA-N 391.471 2.526 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1Cl 7036233 SGFQPWWJAKZHPZ-UHFFFAOYSA-N 391.840 2.761 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2)c1 19166877 UNMMMMJFQWOLTJ-OTWHNJEPSA-N 397.862 2.884 0 40 GFAB O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1 15934729 IPMXSCDSDBCFQB-UHFFFAOYSA-N 389.455 2.624 0 40 GFAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(c4ncccn4)CC3)cc12 9647232 UXFKGJIFPPDKEX-UHFFFAOYSA-N 384.509 2.815 0 40 GFAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccccc3)[C@@H]2C1 9344721 PWGWESJXJCMJFY-QZTJIDSGSA-N 388.514 2.840 0 40 GFAB Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 9426694 MYDDKECFLHTCIM-UHFFFAOYSA-N 386.517 2.734 0 40 GFAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CC1 9581529 DFNUEGTWQAKDMR-OAHLLOKOSA-N 387.505 2.654 0 40 GFAB CC(C)n1nc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)c2ccccc2c1=O 89893825 COLNGSRRTGUTHZ-NRFANRHFSA-N 383.423 2.754 0 40 GFAB COc1cccc(CN(C)C(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 72274535 WMDXQUGWQZAMFR-UHFFFAOYSA-N 392.459 2.740 0 40 GFAB O=C(CCCNC(=O)c1ccccc1)Nc1ccc(-n2ccc(C(=O)O)n2)cc1 95425273 LDQJGMRUBSNPAR-UHFFFAOYSA-N 392.415 2.719 0 40 GFAB CCOc1cc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC(F)F)cc2)ccn1 95460718 IHBFLKFUXMVGKN-OAHLLOKOSA-N 380.347 2.726 0 40 GFAB CCc1cc2oc(=O)cc(CN3CCN([C@H]4CCOC4)CC3)c2cc1Cl 89283007 IMXDYQFKMPCBCM-INIZCTEOSA-N 376.884 2.915 0 40 GFAB O=C1CCCN1Cc1cccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)c1 79069962 MNUJWDKOVFGJPL-MRXNPFEDSA-N 384.398 2.993 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)N1CCOCC1 408602751 IWEQSTPUYZPVLV-UHFFFAOYSA-N 392.521 2.636 0 40 GFAB CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 409392584 RRNOSELYMUFDBD-LLVKDONJSA-N 397.324 2.592 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cccc3nsnc23)n1 56901023 ZNQNLNOJKKHFIO-UHFFFAOYSA-N 393.428 2.562 0 40 GFAB Cc1ncsc1CN1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306127481 FZJOCWJMLGQDAJ-QZTJIDSGSA-N 379.489 2.730 0 40 GFAB O=S(=O)(c1ccccc1N1CCN(Cc2ccncc2)CC1)C(F)(F)F 32829085 LSVYQLHFTLDKEZ-UHFFFAOYSA-N 385.411 2.697 0 40 GFAB CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N=c2[nH]cc[nH]2)CC1 72402888 LUKWKLIBIQYAAJ-CTWPCTMYSA-N 382.508 2.960 0 40 GFAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 222608965 LWIGXXWALRRPQK-IGNZVWTISA-N 379.489 2.861 0 40 GFAB S=C(Nc1nc(N2CCCC2)cc(N2CCOCC2)n1)NC1CCCCC1 226007644 PWMFPIVGYIHUDV-UHFFFAOYSA-N 390.557 2.533 0 40 GFAB COc1ccc([C@@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C(=O)O)cc1Cl 569366931 QKYRKAPZHKLUGJ-MGPLVRAMSA-N 377.828 2.683 0 40 GFAB CCOc1ccc(/C=C(\C(=O)NCCN(CC)CC)n2ccccc2=O)cc1 199401445 VZUAHKYGOFWBRE-LVZFUZTISA-N 383.492 2.703 0 40 GFAB COc1cc(NC(=S)N[C@H](CC(=O)O)c2ccc(SC)cc2)ncn1 225220086 IIPUEFLAEBBMEW-GFCCVEGCSA-N 378.479 2.710 0 40 GFAB CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CC2 576252887 QMHOZMCFNZXYRA-HNNXBMFYSA-N 388.899 2.596 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccccc1F 96520150 INGYHKOWESSLIW-NXEZZACHSA-N 392.617 2.621 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1Br 245228334 QUBHBWIXAZZCTJ-IACUBPJLSA-N 391.265 2.578 0 40 GFAB O=S(=O)(c1ccccc1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 247316712 KNEBUBIAAHPZSF-MRXNPFEDSA-N 376.503 2.547 0 40 GFAB CNC(=O)[C@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 257273940 NIVSEWOTLWYQAP-HSZRJFAPSA-N 394.519 2.799 0 40 GFAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)Cn3cccn3)C2)o1 257292607 QMGZEDPEIWWUEU-KRWDZBQOSA-N 380.448 2.877 0 40 GFAB COc1cccc(CN2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)c1 257264773 LVZKWLPPPHDWQC-GOSISDBHSA-N 378.436 2.592 0 40 GFAB CCc1noc(C)c1C(=O)N1[C@@H](CNC(C)=O)C[C@]2(C)[C@H]1CCCC[C@]2(C)O 257334781 YHJDCYLKPOQVNL-JKMAKKBCSA-N 391.512 2.596 0 40 GFAB CCc1nccn1CC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257276812 NVFQSNCWWXFRLV-IBGZPJMESA-N 382.508 2.732 0 40 GFAB Cc1ccnc(NC[C@@H]2CCN([C@@H](C)C(=O)NC(=O)Nc3ccccc3F)C2)c1 609144771 GPICXIDXRDZVEG-HOTGVXAUSA-N 399.470 3.000 0 40 GFAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCc1c[nH]c2ccccc12 67126400 MJTRWOSTKQZLOV-AOIWGVFYSA-N 386.521 2.552 0 40 GFAB biogenic O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 90612608 VIZIDOZPVWSZNO-JTQLQIEISA-N 375.855 2.532 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CNc1cccc(C(=O)N2CCOCC2)c1 55861866 OGZIVYOFJGVHHJ-INIZCTEOSA-N 379.460 2.549 0 40 GFAB COc1ccccc1COC[C@H](O)CN1CCO[C@@H](c2ccc(F)cc2)C1 58576456 DAEYUBBZOKTJJV-TZIWHRDSSA-N 375.440 2.785 0 40 GFAB COC(=O)c1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 72339778 WPPDYQOAUZWFMJ-KRWDZBQOSA-N 379.464 2.786 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)c1 72393785 OFBPHXZREQJBFT-ZDUSSCGKSA-N 381.436 2.535 0 40 GFAB CC1=NNC(=O)[C@H]1CCC(=O)Nc1ccc2c(C)cc(C(F)(F)F)nc2n1 141968001 BIDHSDOVJKGLCN-NSHDSACASA-N 379.342 2.798 0 40 GFAB Cn1c(N2CCC[C@@H](C(=O)NCc3nc4ccccc4[nH]3)C2)nc2ccccc21 12145811 DXSPWLXDIFPLRL-OAHLLOKOSA-N 388.475 2.982 0 40 GFAB COCC(=O)N1CCC(c2nc3ccccc3cc2C(=O)N2CCCC2)CC1 12326947 IMTXDQWKEPASKA-UHFFFAOYSA-N 381.476 2.823 0 40 GFAB CCN(C(=O)COC(=O)/C(=C/c1ccccc1)n1nnnc1C)C1CCCCC1 12848380 ODCOXTFIFBDEFY-RGEXLXHISA-N 397.479 2.704 0 40 GFAB CC(C)OCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 12897636 GNXITBJWZFFTHR-JOCHJYFZSA-N 397.475 2.538 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1OC 13009997 NLGYTUQPFOINOX-WAEYIKQSSA-N 396.487 2.907 0 40 GFAB CCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 15315236 OMIUTVZIRLXGMD-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@@H](c2nnc(-c3cccnc3)o2)C1 19375440 NMJIXCRPRKUOIN-SJLPKXTDSA-N 376.416 2.762 0 40 GFAB CCCN1C(=O)N[C@H](CC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)C1=O 19502543 NYDTXPKRSIXSCG-NIMBFUQJSA-N 383.492 2.796 0 40 GFAB COc1ccc(CN2CCC(O)(c3cccnc3F)CC2)c(OC)c1OC 19552734 KREANXYUEQXSKH-UHFFFAOYSA-N 376.428 2.730 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)c3csc(C)c3)C2)c2cccnc21 19571642 QEVBOGRMMDUQLS-OAHLLOKOSA-N 397.504 2.567 0 40 GFAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ccnn2C)CCO1 19705463 SLRSOXOYGMVFIF-MRXNPFEDSA-N 399.520 2.742 0 40 GFAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccc1-n1cccn1)C2 100150200 ZBSVCQKIXMTPCD-OALUTQOASA-N 377.492 2.726 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)c2cccnc2n1 12254143 VEIHOIRABYDBDT-HNNXBMFYSA-N 377.448 2.658 0 40 GFAB COC(=O)/C=C/c1cc(OC)c2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 28862511 DPDJZJNYBSGDHT-DWDFQXMKSA-N 386.400 2.805 0 40 GFAB biogenic,in-vitro NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 6640736 JQKDEZGKFXWNBF-UHFFFAOYSA-N 380.425 2.817 0 40 GFAB Cn1nc(C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)c2ccccc21 1888906439 ZMSJZBUTVQWVEP-CQSZACIVSA-N 377.448 2.782 0 40 GFAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC(n2cc(-c3ccccc3)nn2)C1 238939043 VUVNVXWKOYDGLF-UHFFFAOYSA-N 384.443 2.887 0 40 GFAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1nnsc1C1CC1 1565542782 ROLZWLPKIXXTAI-INIZCTEOSA-N 395.488 2.704 0 40 GFAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1 4250751 CLXINPQJNSNXTB-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)N4CCc5ccccc54)cnc32)c1C 4479182 RJCKKEYFIGCXRA-UHFFFAOYSA-N 399.454 2.788 0 40 GFAB COC1(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2csc(C)n2)C3)CCC1 2055796053 PPGYJDZAUYVKHP-UHFFFAOYSA-N 391.537 2.752 0 40 GFAB O=C(Cc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1)NCC(F)(F)F 44035565 UYRCGOMGYKJWDJ-INIZCTEOSA-N 394.349 2.686 0 40 GFAB O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NCc1nc2ccccc2[nH]1 49382875 YXWHLFPFUPOVQW-UHFFFAOYSA-N 383.839 2.775 0 40 GFAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)S2 20060449 FSYJPUATBIABCF-CABCVRRESA-N 389.868 2.908 0 40 GFAB COCCCn1c(C)cc(C(=O)COC(=O)CCCCCNC(C)=O)c1C 40119069 SAKWAHVFOLMWPF-UHFFFAOYSA-N 380.485 2.564 0 40 GFAB COc1ccc(OCCN(C)C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)cc1 40158589 XCWVMKVCWATKEV-UHFFFAOYSA-N 394.475 2.973 0 40 GFAB Cc1ccc(NS(=O)(=O)CCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1F 40109001 OEDGJECFXBMIRN-CYBMUJFWSA-N 398.431 2.599 0 40 GFAB O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(c2ccccc2O)CC1 40150350 KQVCTWOZUXYSJI-UHFFFAOYSA-N 379.504 2.953 0 40 GFAB COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(O)c1 20112481 HJGRGXQETQJTGT-HNNXBMFYSA-N 385.416 2.940 0 40 GFAB biogenic CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 30660206 BJUJBRCNLCJYJQ-SFHVURJKSA-N 378.432 2.953 0 40 GFAB COCCn1c(-c2cccc(Cl)c2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 36771968 APMBCUBJFLBDPM-UHFFFAOYSA-N 376.844 2.509 0 40 GFAB Cc1cc(C)cc(OCCN(C)[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 29153687 RCEROFRQVYDAFR-CQSZACIVSA-N 375.494 2.802 0 40 GFAB CC(C)Cn1c(=O)c(C(=O)Nc2ccccc2C(N)=O)c(O)c2ccccc21 100742103 YXLISILCXUHTEZ-UHFFFAOYSA-N 379.416 2.714 0 40 GFAB biogenic CC(C)(C(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1)c1ccccc1 29372656 FCCAALAIRHOOAE-FQEVSTJZSA-N 378.472 2.639 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccc(C)c3)cc2c1 1366866 SKQBYOVUADXCLL-UHFFFAOYSA-N 380.444 2.870 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc(I)c1 2986484 VFDICGXUUGFPGQ-IOQCUFBNSA-N 379.197 2.993 0 40 GFAB O=C(Cc1noc(C(=O)NC2CCCC2)n1)Nc1cccc(C(F)(F)F)c1 32095509 XZYHYQTZSBMAHO-UHFFFAOYSA-N 382.342 2.942 0 40 GFAB CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)S[C@H](C)C2 4107941 HUXHYLSUQLQVBN-GFCCVEGCSA-N 375.519 2.708 0 40 GFAB COc1ccccc1[C@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@H]1C(=O)c1ccccc1 4144311 MTWSQTLPVMNEGM-RKVPGOIHSA-N 394.349 2.799 0 40 GFAB COCCCNC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 4967053 YPUYHTHSOJYOCJ-UHFFFAOYSA-N 376.551 2.843 0 40 GFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)ccc2OC)C1=O 6948404 FGOFWENXXYGFSA-GDNBJRDFSA-N 378.450 2.609 0 40 GFAB CCCCOC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC 6979144 JAYLEZRQUGTURO-UHFFFAOYSA-N 385.511 2.529 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(N2CCCC2=O)c1 20938159 OYJKNPBLURPGSO-UHFFFAOYSA-N 385.508 2.578 0 40 GFAB CCc1ccc2oc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)cc(=O)c2c1 21805979 MMOHIRTYRAADRK-QGZVFWFLSA-N 396.443 2.752 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccc(Cl)cc1 20014264 JRBZGPADBMLYQJ-UHFFFAOYSA-N 384.860 2.557 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@H](C)C2CC2)c1 12553463 QHPYBIUFPHSXAX-OAHLLOKOSA-N 393.553 2.846 0 40 GFAB O=C(Nc1ccccc1)C1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 57420880 WCXNUOCNWJFMKY-UHFFFAOYSA-N 398.507 2.939 0 40 GFAB C[C@@]1(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CCS(=O)(=O)C1 57817566 IEENDGKRHLXCDX-MRXNPFEDSA-N 384.910 2.699 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 28209500 UYBTXVWTGUGAFE-INIZCTEOSA-N 392.864 2.967 0 40 GFAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(OC(F)F)cc1 12658998 FINNHHUDAAGKPV-UHFFFAOYSA-N 375.331 2.820 0 40 GFAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 58044757 GPPPKTDQTXGWDG-UKRRQHHQSA-N 385.365 2.705 0 40 GFAB CCCS(=O)(=O)c1nnc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)s1 27664715 HQWFRSZPYYXRCM-LBPRGKRZSA-N 387.458 2.657 0 40 GFAB CCCCS(=O)(=O)c1nnc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 27745203 HLSHGUVKCNQFRQ-JTQLQIEISA-N 387.458 2.657 0 40 GFAB COc1ccc(CN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 2224606 YASPTCOJGZDMMN-QGZVFWFLSA-N 383.473 2.652 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cn2cncn2)cc1 48326582 ININMYYCYUKPPX-UHFFFAOYSA-N 378.432 2.760 0 40 GFAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(S(N)(=O)=O)c1 12876039 GDEANOASLYCYDG-NSHDSACASA-N 386.395 2.773 0 40 GFAB CCOc1cc(CNCCNCCO)ccc1OCc1ccc(Cl)cc1 22075365 HNQIGQARIHSSLE-UHFFFAOYSA-N 378.900 2.989 0 40 GFAB NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(Cl)cc2Cl)c1 13095268 NCDWSJDJKVVXTD-UHFFFAOYSA-N 377.224 2.710 0 40 GFAB C[C@H](NC(=O)C[C@@](C)(C(=O)O)c1ccccc1)c1ccc(-n2cncn2)cc1 13468249 FBCCBTGBPOTPSX-YCRPNKLZSA-N 378.432 2.877 0 40 GFAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 4029324 GHMQBBFTIOVPQJ-LRDDRELGSA-N 375.421 2.738 0 40 GFAB biogenic O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2cccs2)o1 6085652 IXJMAOYVICXOAR-SFHVURJKSA-N 382.401 2.528 0 40 GFAB O=C(NC[C@H]1CCCO1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 65095693 PXOAKOGWESJWPD-MRXNPFEDSA-N 383.839 2.892 0 40 GFAB CCOc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OCC 5292088 XNCWNMABZQCVKH-UHFFFAOYSA-N 389.452 2.677 0 40 GFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 17333429 JRVRIISCHFJSFN-GFCCVEGCSA-N 390.461 2.628 0 40 GFAB Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)o1 306138875 SJXGZVDGOVNTDI-ZWKOTPCHSA-N 376.416 2.506 0 40 GFAB COc1cccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 14245983 SZUJCTIQMDRRGI-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB COc1cc(CN(C)CN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 14244919 WVEIUNXLNCPOST-UHFFFAOYSA-N 376.359 2.982 0 40 GFAB Cn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(-c2ccc3c(c2)OCCCO3)n1 8985859 YLLXDWRWVRRLDG-UHFFFAOYSA-N 392.415 2.600 0 40 GFAB CCOC(=O)[C@H](C(C)=O)C(c1cc(F)cc(F)c1)[C@@H](C(C)=O)C(=O)OCC 66054495 MSJLSONBWFGZRX-HZPDHXFCSA-N 384.375 2.585 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1C 4813674 MLFHKRHZIGAMHK-INIZCTEOSA-N 394.537 2.853 0 40 GFAB COc1ccccc1C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 6906296 RXYDBKUJIXDUIH-UHFFFAOYSA-N 390.490 2.827 0 40 GFAB COc1ccc(Nc2nc(NCC(=O)O)nc(Nc3ccc(OC)cc3)n2)cc1 7498215 BNUKVARTGAYZIC-UHFFFAOYSA-N 396.407 2.873 0 40 GFAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N3CCCC3)C2=O)cc1C 7575828 QHLFGNHXKLAWDY-HSZRJFAPSA-N 391.471 2.721 0 40 GFAB O=C(Nc1ccccn1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 71286520 YVNAYWUSLAEIAL-UHFFFAOYSA-N 397.778 2.728 0 40 GFAB COc1ccc(-c2nc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cs2)cc1 83952314 AIZIVMZLRFZMHJ-GOSISDBHSA-N 393.468 2.871 0 40 GFAB CCOc1cccc(N(CC(=O)Nc2ccccc2OCC)S(C)(=O)=O)c1 22381152 WNXVKQKCXAJYSA-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022757 ONIIHZCUCVUING-INIZCTEOSA-N 392.463 2.834 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(O)cc1)SCC(O)=N2 79486254 YGGBNCHVLQTQDQ-LRDDRELGSA-N 393.490 2.681 0 40 GFAB COC(=O)c1nc(NC(=O)c2ccc(-n3nnnc3C)cc2)sc1C(C)C 79474841 AKFYFMIJWGADJG-UHFFFAOYSA-N 386.437 2.590 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)cc2C)cc1 408555538 XNSPTHCITOSZPH-UHFFFAOYSA-N 389.839 2.741 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)c(C)c1 408623029 OPANMNHKLHNXAN-UHFFFAOYSA-N 382.526 2.901 0 40 GFAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)N1CCN(Cc2ccccc2)CC1 20591628 HRRUCDOHFYOTTN-UHFFFAOYSA-N 399.878 2.982 0 40 GFAB CC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)C1CC1)C2 306141655 WDBXJBLCMUFECB-UHFFFAOYSA-N 380.496 2.544 0 40 GFAB O=C([C@@H](c1ccccc1)N1CCSCC1)N1CCN[C@H](c2ccccc2)C1 1557032844 KUXXYMYRBKLMSV-LEWJYISDSA-N 381.545 2.950 0 40 GFAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)c(=O)c12 72347746 SFMQAVSEDRAJKU-CQSZACIVSA-N 399.520 2.848 0 40 GFAB O=C(c1cnn2cccnc12)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 534794895 UKYFUAZEEWPFDI-HOTGVXAUSA-N 398.413 2.748 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 38710810 BVAIIIZSOMGCJW-UHFFFAOYSA-N 392.452 2.800 0 40 GFAB Cc1cccc(Nc2cnc([C@H]3CCCN(S(=O)(=O)C(C)C)C3)cn2)n1 72363644 AEMWSIKLPWWOQR-HNNXBMFYSA-N 375.498 2.841 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCSCc2ccccc2)ccc1C 223738808 GHNVVNPYSNYEMD-UHFFFAOYSA-N 379.503 2.993 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224047514 XTTSDOUNNMCSOD-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224903195 FWZZEIGXCFVFEH-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB Cc1nc(Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c2nn(C)c(C)c2n1 41070261 OHOWHKLTTNFDAB-CHWSQXEVSA-N 394.479 2.973 0 40 GFAB Cc1ccc(CNC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c2ccccc12 572701749 PJVHXULEJPOVQU-GOSISDBHSA-N 379.464 2.779 0 40 GFAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cccc(Br)c2)o1 95479665 JFUQAHCHEHFXMU-ZDUSSCGKSA-N 397.221 2.949 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 96241008 QFCYRYNRJCRQJA-SFHVURJKSA-N 380.448 2.981 0 40 GFAB CCn1ccc(C(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3COC)C2)n1 257319864 VUJFKLYIPPUHFJ-JOCHJYFZSA-N 398.507 2.608 0 40 GFAB O=C(CN1CCOCC1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257319320 VRWDZQILEOFOQP-IBGZPJMESA-N 387.455 2.790 0 40 GFAB CC(=O)NCc1cn(-c2ccccc2C(=O)N(C)CCc2ccccc2)cn1 257247241 IYCRBDXDGJCGPF-UHFFFAOYSA-N 376.460 2.823 0 40 GFAB C[C@@H](NCc1ccc2cnn(C)c2c1)c1cccc(N2CCCS2(=O)=O)c1 585085297 VOQCRXAHVGLMJV-OAHLLOKOSA-N 384.505 2.964 0 40 GFAB CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H](Cc2ccccc2)c2ncco2)C1 654444923 FZDNBLDDUGNLSQ-FGTMMUONSA-N 384.480 2.905 0 40 GFAB COCc1cncc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1 680931019 IJUNXBYSBUYJOR-UHFFFAOYSA-N 381.476 2.535 0 40 GFAB CN1CCC(n2ccc(NC(=O)c3cnnn3-c3ccccc3Cl)n2)CC1 683803840 CGRSZFJIUJTGLS-UHFFFAOYSA-N 385.859 2.636 0 40 GFAB O=S(=O)(NCC[C@H](O)c1ccccc1)c1ccc(OC(F)(F)F)cc1 90561875 PTJRXFKPMOSQFP-HNNXBMFYSA-N 375.368 2.987 0 40 GFAB O=C(CCc1ccco1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615124923 YIOCMNKMWGQILW-OAQYLSRUSA-N 386.423 2.776 0 40 GFAB COc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615124971 YMUPJCVOPABJIL-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2oc3ccccc3c2n1 5149747 YVEFAGKBQXGXGK-UHFFFAOYSA-N 382.445 2.986 0 40 GFAB COC(=O)c1csc(N2N=C3c4ccccc4CC[C@H]3[C@]2(O)C(F)(F)F)n1 5275032 IKZKQZJSILBQKE-BZNIZROVSA-N 397.378 2.967 0 40 GFAB C[C@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5781110 ZARGNRHCCBTLBI-JTQLQIEISA-N 396.321 2.868 0 40 GFAB 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)COc1ccccc1 5934022 FAPQZCFUFGJPFI-NZKLMXSMSA-N 390.476 2.542 0 40 GFAB COc1ccc(O[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1 11658500 GDNTVHZJADVADU-LLVKDONJSA-N 396.365 2.977 0 40 GFAB Cc1c(CCC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 11865552 XZPIZMLYRLBCTP-OAHLLOKOSA-N 375.421 2.664 0 40 GFAB biogenic CN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2c(s1)CCc1c-2cnn1C 12146133 OCIMVTVRXCSHDF-UHFFFAOYSA-N 382.445 2.576 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nn(C)c4ncccc34)C2)cc1 12219624 HXNURIOFYPHBLU-MRXNPFEDSA-N 398.488 2.739 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCCN(CCOc2ccc(F)cc2)CC1 14180684 PRUDSPWTAWMAKZ-UHFFFAOYSA-N 396.459 2.740 0 40 GFAB COc1ccccc1CN1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 19017127 MDODELSHNBWIOQ-GOSISDBHSA-N 380.492 2.769 0 40 GFAB C[C@@H](Cn1cncn1)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19457844 VSABPDBOKWILET-LPHOPBHVSA-N 392.459 2.786 0 40 GFAB COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cn1 19719098 LOCZSRXYSGYMKI-QGZVFWFLSA-N 375.856 2.547 0 40 GFAB CCN(CC)C(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)n1ccccc1=O 4486969 XGCSVIIONFHTIV-FOWTUZBSSA-N 386.448 2.741 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 5636239 LHYCBDLLGMNWKO-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2N2CCCC2=O)no1 10611118 GAEBXSIXPLVBHK-UHFFFAOYSA-N 377.784 2.559 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)nn1C 1888897118 GAVHALJCPNGICQ-CALCHBBNSA-N 392.507 2.868 0 40 GFAB O=C1COC[C@@]2(CN(CCCc3ccccc3)CCO2)CN1c1ccccc1 2037980869 KRKMOBLIOWBZDN-HSZRJFAPSA-N 380.488 2.754 0 40 GFAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1 4105992 QVQSEJBHNCVPJO-MUUNZHRXSA-N 399.447 2.964 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Cc1ccc(F)cc1 5075975 SBXPNHROZZSTBN-UHFFFAOYSA-N 378.425 2.555 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1 575620061 JJGGPJICWMZHCG-UHFFFAOYSA-N 385.445 2.522 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1OC 40080132 DTWIYWPDADAAFA-MRXNPFEDSA-N 384.480 2.928 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3)C2=O)cc1Cl 100036732 OJUPUFGIEMIFIK-SJORKVTESA-N 397.822 2.580 0 40 GFAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116625 OANWLSBVPWKDDW-QGZVFWFLSA-N 385.386 2.777 0 40 GFAB COc1ccccc1[C@H]1N=C2NCN(C(C)C)CN2c2nc3ccccc3n21 20101731 BXDAAGXJTKSCNO-IBGZPJMESA-N 376.464 2.996 0 40 GFAB COc1ccccc1COC[C@H](O)CN[C@H](c1ccc(F)cc1)c1nccn1C 28657721 VUPDWVWIPAJFIH-TZIWHRDSSA-N 399.466 2.825 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2 31810543 ZZHDQEUXKQHZFI-OAHLLOKOSA-N 395.423 2.761 0 40 GFAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(oc4nc(C)cc(C)c43)c2=O)cc1 32072400 MODDFXXVPFSJNU-UHFFFAOYSA-N 390.399 2.996 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cc(C)ccc4C)[C@H]3C2=O)cc1OC 101169121 LJEKQFDDYGNFRU-RBUKOAKNSA-N 394.431 2.814 0 40 GFAB CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nn12 32102563 UPURDOXDJAALDN-QGZVFWFLSA-N 378.480 2.781 0 40 GFAB COC(=O)c1c(NC(=O)CSc2nccc(C)n2)sc(C(C)=O)c1C 4169236 JOEFXFSQJSCFMX-UHFFFAOYSA-N 379.463 2.875 0 40 GFAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1C 4351912 VHUDILGRYFHOOJ-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21)Nc1ccc(F)cc1 4985000 BBOGHNLYNVSOFJ-SFHVURJKSA-N 381.407 2.806 0 40 GFAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(S(N)(=O)=O)cc1 6509872 TWLDFDPGSLOSMX-SNVBAGLBSA-N 388.367 2.724 0 40 GFAB CC(C)C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 7421309 AFLZBMHOOUORMW-KRWDZBQOSA-N 386.473 2.735 0 40 GFAB COC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 101886126 UBBSYLXGXDFTHB-HZMBPMFUSA-N 387.263 2.523 0 40 GFAB CCCCc1nn2c(=O)cc(COC(=O)COc3ccc(C)cc3)nc2s1 8605640 KACFQUWQLKPTIR-UHFFFAOYSA-N 387.461 2.924 0 40 GFAB C[C@H](OC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(=O)NC1CC1 21543570 OLPUIZNMKMUMCN-DJJJIMSYSA-N 379.412 2.965 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2c1 102484449 XSFURZOKOSZRHN-BETUJISGSA-N 387.461 2.809 0 40 GFAB COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cn1 17296593 INAASJXKQYESAU-INIZCTEOSA-N 397.884 2.685 0 40 GFAB Cc1ccsc1/C=C/C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32983270 SJBKIYHHGZFSFR-DKFQHHCZSA-N 398.484 2.581 0 40 GFAB O=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)OCCO2 11999535 MXONWKCOAGBHSI-GOSISDBHSA-N 388.489 2.573 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 21960911 HFUGFVNYVBQAKQ-QFIPXVFZSA-N 395.503 2.959 0 40 GFAB CC(=O)N[C@H](CC(=O)OCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1 16673515 VMENUSCDMIAUON-GOSISDBHSA-N 379.416 2.542 0 40 GFAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3N3CCOCC3)CC2)s1 92379809 JRZRKJWVBNYUTJ-UHFFFAOYSA-N 385.533 2.851 0 40 GFAB CC(C)Cn1c(CCC(N)=O)nnc1SCCC(=O)Nc1ccccc1F 23007087 OLEGGDHIRHTYEK-UHFFFAOYSA-N 393.488 2.612 0 40 GFAB COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 22510985 CNRPSUHKZWDQMJ-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CC(C)(CNC(=O)c1cc(Br)ccc1Cl)N1CCOCC1 23425917 OVPJTVUMDBDBFE-UHFFFAOYSA-N 375.694 2.943 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 23641055 ARCHNAQORQSDCF-UHFFFAOYSA-N 393.487 2.942 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1C 21131405 MJKQMHZOMBQQNG-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB O=C(Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)[C@H]1CCS(=O)(=O)C1 57003972 GHOMFRANVPPAPX-JTQLQIEISA-N 391.399 2.881 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 57256233 SEIMMKPYYSVARD-SWLSCSKDSA-N 398.381 2.612 0 40 GFAB O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1ccccc1OC(F)(F)F 26539521 PROYJIPUCOFTJK-UHFFFAOYSA-N 384.339 2.967 0 40 GFAB COC(=O)[C@@H](Sc1nnc(-c2cccc(Br)c2)n1N)C(C)C 89791139 NKHMVNHRYWSXBK-NSHDSACASA-N 385.287 2.711 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCCc3cccc(NC(C)=O)c32)cc1 58263828 DJAAPDVYJHWCSO-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB CCOC(=O)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 24938175 GIULUQAWDDITCD-QGZVFWFLSA-N 381.476 2.930 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CCSc2ccc(F)cc21 10965824 OYJGRTGPEQDHMQ-HNNXBMFYSA-N 399.447 2.572 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 3371485 AQLYUOIMCBVACF-UHFFFAOYSA-N 385.489 2.712 0 40 GFAB CS(=O)(=O)NC1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1 12757232 GOBVAIQKCHYEDA-UHFFFAOYSA-N 385.942 2.977 0 40 GFAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48261407 RJAJXQUIHREHDT-AWEZNQCLSA-N 397.406 2.680 0 40 GFAB O=C(Oc1ccc2c(c1)OCO2)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3431214 FFDVCJBBGSQKIP-MRXNPFEDSA-N 389.429 2.564 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 8291523 YYOOZHMXFWRZIF-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3550725 OZIHHCXSQGIYOH-UHFFFAOYSA-N 392.506 2.842 0 40 GFAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)c2cnccn2)cc1 3615374 SKSKZTQIULBZRU-LJQANCHMSA-N 376.416 2.937 0 40 GFAB CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 17079375 LVJZDTHYGOXBFQ-HUUCEWRRSA-N 388.555 2.895 0 40 GFAB CCCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 5291348 POHQWAXVJCVZJY-UHFFFAOYSA-N 383.448 2.896 0 40 GFAB CCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 6318246 PGSZKUQABNMICB-UHFFFAOYSA-N 392.459 2.895 0 40 GFAB O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)NC1CCCC1 14084999 XVTNKWFTMLIUBP-INIZCTEOSA-N 393.557 2.598 0 40 GFAB CN(C)Cc1ccccc1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 14092995 VFRKFSZDKXJOQG-UHFFFAOYSA-N 398.488 2.909 0 40 GFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)c2nccn2C)c1 6467680 XFRMUIFYASLOAD-AWEZNQCLSA-N 381.457 2.791 0 40 GFAB Cc1[nH]c(C(=O)OCc2nnnn2-c2ccccc2)c(C)c1C(=O)OC(C)C 14114345 FOGDVZNSKGIYRN-UHFFFAOYSA-N 383.408 2.529 0 40 GFAB COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)cc(C(=O)OC)c1 4666217 VJPIPPARDVXDNO-UHFFFAOYSA-N 377.780 2.931 0 40 GFAB Nc1ccccc1C(=O)OCC(=O)Nc1cccc(I)c1 6971669 POBHSXABBBGODJ-UHFFFAOYSA-N 396.184 2.669 0 40 GFAB CCCCCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 64948371 MPWJTNAHNHOWJE-UHFFFAOYSA-N 391.331 2.830 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7758284 PSLCHZMIFGUAQA-UHFFFAOYSA-N 398.387 2.902 0 40 GFAB CCOC(=O)C1=C(CSc2nc(C)nc3sc(C)c(C)c23)NC(=O)NC1 7832802 DGIXGMMVDDMXTH-UHFFFAOYSA-N 392.506 2.839 0 40 GFAB CCOC(=O)C[C@H](c1ccccc1Br)c1oc(CO)cc(=O)c1O 71279531 WKYDIDZNUTWPNB-GFCCVEGCSA-N 397.221 2.685 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476362 UTJGPKXNFFCNGY-AWEZNQCLSA-N 380.452 2.949 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C 78806310 AEZQWQUKRVTYPY-INIZCTEOSA-N 391.512 2.780 0 40 GFAB CSc1nccn1-c1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1 78998553 FKVUSURZTDKAJQ-GOSISDBHSA-N 376.551 2.761 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(OC)c2)cc1C 408627467 ZXZGQYCBWJJHIK-CQSZACIVSA-N 392.477 2.708 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccccc2)cc1 22278385 UOTRMGOINCVRLZ-UHFFFAOYSA-N 376.478 2.663 0 40 GFAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCC(C)C 409389683 IHVZOEWBBWYQEV-UHFFFAOYSA-N 390.505 2.625 0 40 GFAB O=S1(=O)c2ccccc2O[C@]2(CCN(CC3CC3)C2)CN1Cc1ccccn1 306126387 DUJBVUYHNVNHAG-NRFANRHFSA-N 399.516 2.519 0 40 GFAB O=C(NCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408707415 AKDVVXLSUIIDJW-UHFFFAOYSA-N 387.439 2.872 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1O[C@H](C)CC 408595929 XUHLVTRUODKKGT-SRMXYGTFSA-N 396.827 2.893 0 40 GFAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1)N1CCOCC1 33875446 RJDXKWMTYFXGQC-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCN(C)C3)cc1 72373989 QBOFZIOUJFRCHM-SFHVURJKSA-N 383.496 2.627 0 40 GFAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1F 79492070 OUTGWZWNMISZGA-INIZCTEOSA-N 384.455 2.680 0 40 GFAB O=C(Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1)c1cccc(F)c1 71002930 XYYDNNISGGXJAN-UHFFFAOYSA-N 394.410 2.726 0 40 GFAB C[C@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1 219445670 VFHSNWALZYCFDQ-ZDUSSCGKSA-N 390.436 2.628 0 40 GFAB O=C(NCCSc1ncn[nH]1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 225904083 SVRJTQGUSPPBCE-CQSZACIVSA-N 379.917 2.579 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)N(C)c2cccc(OC)c2)cc1 222873222 ZXVHSNUNACQFFS-UHFFFAOYSA-N 390.505 2.979 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 195529199 FWILCURGPSGSGA-VISTVZMNSA-N 389.496 2.882 0 40 GFAB O=C(NCCSC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 46450358 WLFVADUNIRUHTI-UHFFFAOYSA-N 382.551 2.877 0 40 GFAB C[C@@H](C(=O)NCCOc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224007980 HMWNZODLMPMVFC-AWEZNQCLSA-N 396.896 2.690 0 40 GFAB Cc1noc(C)c1CN1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244215 IIHJBTYHCOJUTN-NRFANRHFSA-N 395.463 2.960 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CC2 583652513 GWGPRHDMEBWUKE-IEBWSBKVSA-N 394.471 2.856 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 257209584 BQYUHZUHVUXXHE-MRXNPFEDSA-N 385.449 2.751 0 40 GFAB Fc1ccccc1OCCc1cc([C@@H]2CN(C3CCOCC3)CCO2)n[nH]1 257268999 MODMSEXIDJUDDU-FQEVSTJZSA-N 375.444 2.723 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1 260795998 PXISZPOWQWXNOC-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(Oc2cccnn2)CC1 96119372 NPTZIIWBJJQCMR-UHFFFAOYSA-N 387.383 2.728 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c1F 390829006 VUPRKIHBBUPZPQ-NSHDSACASA-N 384.333 2.885 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCN3C[C@H]3CCCO3)C2)cc1)C1CC1 585102255 VNFNPYTTZNSPTE-OFNKIYASSA-N 397.519 2.895 0 40 GFAB CS(=O)(=O)c1ccc2ncnc(NC3CCN(c4nccs4)CC3)c2c1 684898316 ONAQYZYAPQEQSJ-UHFFFAOYSA-N 389.506 2.571 0 40 GFAB Cc1c(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cnn1C 1615126894 AQFJTIYROLUITJ-NRFANRHFSA-N 386.471 2.656 0 40 GFAB COc1ccc(/C=C/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 8116267 OCKULEREHYEEAZ-OVLDUJDUSA-N 395.390 2.922 0 40 GFAB COc1ccc(Cc2nnc(NC(=O)COc3ccc4c(c3)OCO4)s2)cc1 5060930 RPRGSZKQIZBFGQ-UHFFFAOYSA-N 399.428 2.884 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1OC 13678235 LTUUKKIPAGPNJE-UHFFFAOYSA-N 388.367 2.874 0 40 GFAB COc1ccc(CNCCCSc2nnnn2-c2ccccc2)c(OC)c1 16215496 JXYUWPOPWYGUHO-UHFFFAOYSA-N 385.493 2.952 0 40 GFAB COc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cn1 17958894 LSGRBUWPCYERDO-UHFFFAOYSA-N 378.226 2.530 0 40 GFAB Cc1cnc(-c2nnc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)o2)cn1 19239242 NJKIUWXHHBJNEA-UHFFFAOYSA-N 393.403 2.584 0 40 GFAB O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1 19405417 ZACNMDDMDJYBHA-SFHVURJKSA-N 377.448 2.774 0 40 GFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cnc(C)s2)CCO1 19702773 IFIGZOHZQDYUGV-AWEZNQCLSA-N 388.518 2.994 0 40 GFAB COc1cc([C@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)cc(OC)c1OC 19784114 UJKABYDRSWSOFE-AWEZNQCLSA-N 385.372 2.524 0 40 GFAB CC(C)C[C@@](C)(CC(=O)O)C(=O)N1CCCN(C(=O)c2ccsc2)CC1 634867555 DQXGEBOAFILJTH-IBGZPJMESA-N 380.510 2.950 0 40 GFAB O=C(CC(F)(F)F)NC[C@H]1CCCN(c2ncc(C(=O)O)cc2Cl)C1 647454916 FFZCYEULZARINU-SECBINFHSA-N 379.766 2.718 0 40 GFAB O=C(Cn1cccc2cc(C3CCNCC3)nc1-2)NCCOc1ccccc1 12337664 UZDHZKXIZLPREZ-UHFFFAOYSA-N 378.476 2.650 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CC(Cn3cc(Br)cn3)C2)cn1 1889139125 ZXHXTAGHKOEGKH-UHFFFAOYSA-N 379.258 2.600 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccc2c(c1)OCCCO2 28036883 PWZJNEDSZZYBRS-HNNXBMFYSA-N 399.900 2.910 0 40 GFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(C(F)(F)F)cc1 4940637 BBRQQUQIYRBTOO-UHFFFAOYSA-N 398.362 2.879 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1ccc(C)cc1 4934940 KCPDSWZHYVMUHM-IBGZPJMESA-N 376.416 2.826 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)c3ccccc3Br)CC2=O)c1 5194850 CFPUFHRWJSOHJC-LBPRGKRZSA-N 389.249 2.993 0 40 GFAB CCOc1ccccc1NC(=O)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 8868158 ITQZZFBFGTXOLZ-CQSZACIVSA-N 399.403 2.961 0 40 GFAB COC(=O)c1ccc2c(=O)n(CC(=O)N[C@H](C)c3ccccc3)c(=S)[nH]c2c1 12415800 HNKGVUONYIOSCG-GFCCVEGCSA-N 397.456 2.723 0 40 GFAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc1 22468384 INDPQVWTLNIAPO-INIZCTEOSA-N 387.509 2.540 0 40 GFAB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23107309 LOAJVKOYUDTDIX-HXUWFJFHSA-N 399.466 2.516 0 40 GFAB Cc1ccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2C[C@@H]2CCCO2)cc1 101113788 CZKYWLSCMZNLLQ-UAFKWENTSA-N 378.432 2.950 0 40 GFAB Cc1cccc(CS(=O)(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c1 206847417 DBWUUDAKWSWJIT-GOSISDBHSA-N 399.472 2.973 0 40 GFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1c(C)noc1C 206800008 OHFLNUZTZUUEQX-PBHICJAKSA-N 390.411 2.585 0 40 GFAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(N2C(=O)CSC2=O)CC1 206983390 WPZUFPKHLMZPGY-UHFFFAOYSA-N 386.395 2.934 0 40 GFAB O=C1[C@@H](N2CCC(COc3cccc(C(F)(F)F)n3)CC2)CCN1C1CC1 585533983 MSWVRRSVHVVSSU-HNNXBMFYSA-N 383.414 2.955 0 40 GFAB Cc1ccc2c(c1)S[C@H](C(=O)NCc1ccc(N3CCCN(C)CC3)nc1)C2 40152044 WFXINNMGJLLQPM-FQEVSTJZSA-N 396.560 2.865 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)CC2=O)c1C 40155259 XSHXGCWYCNONCL-GHTZIAJQSA-N 393.487 2.602 0 40 GFAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1nc2ccccc2s1 36569671 GCCKWVUHTQGALA-IAQYHMDHSA-N 383.429 2.580 0 40 GFAB COCCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 36625353 JHLLTEKGXFVNSN-CQSZACIVSA-N 376.453 2.915 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)C1 902184 BUNPLGCKECSICJ-QGZVFWFLSA-N 393.553 2.922 0 40 GFAB CC[C@@H](C)n1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O 20757980 BOZXGOZPEVRBCU-XIKOKIGWSA-N 382.464 2.662 0 40 GFAB biogenic CCN1CCN(c2ccc(C(=O)NCCc3cccc(OC)c3)cc2F)CC1 69516165 SRLAOLZTYAVCIB-UHFFFAOYSA-N 385.483 2.949 0 40 GFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 10112332 ISBSFTACNWNZGI-UHFFFAOYSA-N 379.434 2.990 0 40 GFAB COc1cc(NC(=O)COc2nc(C)nc3ccccc23)cc(OC)c1OC 21361113 OXGUIPDAULBHDP-UHFFFAOYSA-N 383.404 2.982 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1OC 32797398 BPGSFECXHFZUIQ-OAHLLOKOSA-N 397.475 2.947 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8035205 JFYHIPQWKWVFHW-CQSZACIVSA-N 396.415 2.674 0 40 GFAB Cc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1NC(=O)c1ccco1 32986081 TUWYKUAXOSJOCS-UHFFFAOYSA-N 383.448 2.781 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COn1nnc2ccc(Cl)cc21 32957881 RWGXYFMUOCFSAV-UHFFFAOYSA-N 376.800 2.518 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102885495 CGZNGZUNAGCKKP-HDICACEKSA-N 394.475 2.608 0 40 GFAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(F)cc1 101176174 XJTOZJAEUQGOBW-RYLXDESZSA-N 394.439 2.769 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(F)c(F)c1 22373457 DSSLRWLWXLDZCQ-GOSISDBHSA-N 394.443 2.925 0 40 GFAB Cc1ccccc1C[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 67807869 UZVMDLPNQNRJSO-QRQCRPRQSA-N 397.450 2.649 0 40 GFAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N1CCOCC1 868706 ADNXHTSRCDFLMF-UHFFFAOYSA-N 394.500 2.809 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2cccc(N3CCCC3=O)c2)nn1-c1ccccc1 7491995 YUYLXJSZFFEJDF-UHFFFAOYSA-N 388.427 2.920 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 8541700 RXOYWXIUTGMLES-JOCHJYFZSA-N 393.443 2.931 0 40 GFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccc(F)cc2)C1 25054593 SYTKWDGZJYJPEG-AUUYWEPGSA-N 388.464 2.886 0 40 GFAB O=C(COc1ccc(F)cc1Cl)NC[C@H]1CN(Cc2ccccc2)CCO1 25561483 ZZOVRXMJIUYCTG-KRWDZBQOSA-N 392.858 2.875 0 40 GFAB COC(=O)N1CCC(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 57444996 ZALBZWUDCHSUST-UHFFFAOYSA-N 387.436 2.831 0 40 GFAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1 57486083 GLDQEJMXVOTSDT-UHFFFAOYSA-N 399.472 2.722 0 40 GFAB Nc1nccnc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57810221 AOQZIORPAOZOJT-UHFFFAOYSA-N 388.475 2.633 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 10032087 WOUMZUHWDLNQFG-UHFFFAOYSA-N 381.763 2.598 0 40 GFAB CCc1sc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1C 3332793 MGJSPUCCYJPZMC-UHFFFAOYSA-N 396.509 2.905 0 40 GFAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccc(N2CCCS2(=O)=O)cc1 44830178 KWDJMLWOKOXUBZ-UHFFFAOYSA-N 380.466 2.590 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7595844 NDWZGKSEXVFDTP-UHFFFAOYSA-N 396.415 2.614 0 40 GFAB COc1ccc2c(C)c(CC(=O)NCCCCCC(=O)O)c(=O)oc2c1C 2104842 REANHVPPWSJCPI-UHFFFAOYSA-N 375.421 2.722 0 40 GFAB biogenic CCOc1ccc2c(c1)CN(C(=O)CCc1c(C)nc3ncnn3c1C)CC2 58209371 KSRBXSBQULMFGL-UHFFFAOYSA-N 379.464 2.657 0 40 GFAB Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cccn3)nc2)N(C)C)cc1 58264959 FGOZJCBYBYPBOM-IBGZPJMESA-N 378.480 2.678 0 40 GFAB C[C@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccccc1 45090008 HLQVGQXSAOABPW-HNNXBMFYSA-N 392.546 2.875 0 40 GFAB CCOCCCNC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 2265528 BDUYRKDUXBRXIT-CQSZACIVSA-N 397.479 2.502 0 40 GFAB O=C(O)c1c([C@@H](C(=O)O)N2CCOCC2)c2ccccc2n1Cc1ccccc1 36358307 PEEDXLDBTZBJKA-IBGZPJMESA-N 394.427 2.846 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 10994966 VSZWHRKCORUXRY-UHFFFAOYSA-N 398.484 2.899 0 40 GFAB COC(=O)c1cccc(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)c1 12873366 UIUQRIWGXYPMMD-UHFFFAOYSA-N 384.413 2.921 0 40 GFAB O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n12)Oc1ccccc1 21885382 WOHVHPOSTJZRQH-UHFFFAOYSA-N 378.413 2.782 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OC(F)F 12942908 HMLGNGGPVDSTGV-LLVKDONJSA-N 380.347 2.877 0 40 GFAB N#C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cnn(-c2ccccc2)c1 68399591 JBUQILMZSGNSNB-LJQANCHMSA-N 388.431 2.765 0 40 GFAB CCCCn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O 13512017 HLAMIVFAERQOEM-UHFFFAOYSA-N 391.269 2.508 0 40 GFAB O=C(c1cn2cc(Cl)ccc2n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13688029 YOZUKFBUCGBXLU-UHFFFAOYSA-N 398.850 2.674 0 40 GFAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)s2)cc1 7990123 MJGJHVBTBDMRGF-FQEVSTJZSA-N 398.488 2.701 0 40 GFAB CC(=O)c1sc2nc(CSc3nnc(C4CC4)n3C)[nH]c(=O)c2c1C 6106299 XMMPPHLTDRZWMA-UHFFFAOYSA-N 375.479 2.794 0 40 GFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC1=O 7989960 OZMKEYVPTJKCDO-VQIMIIECSA-N 394.471 2.726 0 40 GFAB CCc1nnc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 14017986 FRCNAKOUVZMNCP-UHFFFAOYSA-N 386.524 2.589 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccccc1 408597233 UHLBCOXGHCCKNZ-MHWRWJLKSA-N 396.399 2.642 0 40 GFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 67287105 WPPWOOATUGPHOV-IBGZPJMESA-N 387.480 2.742 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CCSc4ccccc43)ccc21 18134255 CJRJRCZWCALCGS-MRXNPFEDSA-N 388.514 2.976 0 40 GFAB Cn1c(=O)/c(=C/c2cc(Br)ccc2F)s/c1=C/C(=O)C(C)(C)C 96759265 PELBTQWOOHLDIH-LHHRFCNSSA-N 398.297 2.573 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)cc1 8979616 RLOQBOOAIJHJAN-MRXNPFEDSA-N 388.445 2.516 0 40 GFAB CCOc1ccc(CN(C)C(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 9053565 QJULFXIRWOWNSH-UHFFFAOYSA-N 390.505 2.818 0 40 GFAB Cc1noc(C)c1CC(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 21493722 XYXKIXJVEBJLRF-UHFFFAOYSA-N 382.420 2.818 0 40 GFAB CCOC(=O)C1CCN(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)CC1 9367021 RIZXINRAKUGERT-UHFFFAOYSA-N 382.873 2.505 0 40 GFAB COc1cc(F)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1OC 79020026 FCBFMZBDSJJXBU-UHFFFAOYSA-N 375.447 2.694 0 40 GFAB FC(F)(F)c1cccc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 95997072 HXNGNBUQRQCKSC-UHFFFAOYSA-N 393.413 2.659 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccn(COc2ccc(Br)cc2)n1 27972984 ZCEGVCOLVKDTJB-CQSZACIVSA-N 380.242 2.591 0 40 GFAB CCc1ccc(N(CC(=O)N[C@H](C)COC)S(=O)(=O)c2ccccc2)cc1 408609536 OZCYPHBKNGCLNZ-MRXNPFEDSA-N 390.505 2.595 0 40 GFAB Cc1cccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC(C)C)nc23)n1 306127134 FPFXRQRSTLFJFO-UHFFFAOYSA-N 381.524 2.862 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)C)C1 408561271 RQDQKEOLTNNASK-GFCCVEGCSA-N 388.917 2.664 0 40 GFAB Cc1cccc(CCCN(C[C@H]2CC[C@@H](c3nc(C)no3)O2)S(C)(=O)=O)c1 548335536 CSNOSWKDLOMEIU-MSOLQXFVSA-N 393.509 2.801 0 40 GFAB CC(C)[C@@H](C)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 508638883 JRZPJWPQWAXXNV-QEEYODRMSA-N 386.471 2.939 0 40 GFAB CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)C3CCc4ccccc4CC3)CC1)C2 528903786 FMQSBDUEPDKKIY-VXKWHMMOSA-N 381.564 2.951 0 40 GFAB Cc1cc(C)n(CCC(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)n1 72348209 MWMCFRWLJDZHBH-UHFFFAOYSA-N 391.475 2.682 0 40 GFAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 47081134 KIANIZMYXNZDKJ-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB COc1cc2c(cc1S(=O)(=O)NCCCN1CCC(C)CC1)CCCC2 225848630 OWINUQSZYLQHAS-UHFFFAOYSA-N 380.554 2.974 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccccc2C(=O)N2CCOCC2)C1 44029847 KSWCMTWQECVWTI-INIZCTEOSA-N 390.480 2.937 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NCc1ccnc(-c2ccco2)c1 225658711 QYIOVDFVTGUFDM-UHFFFAOYSA-N 378.431 2.668 0 40 GFAB CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)/C=C/c2ccccc2)CC1 43955742 LNQKRGQCZXXKEQ-SDNWHVSQSA-N 379.526 2.797 0 40 GFAB COc1cccc(N(C)C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225949160 PMFSCSFBTWTHEU-QGZVFWFLSA-N 396.896 2.992 0 40 GFAB Cc1cccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 223616635 PWAAQIDKDPOZAY-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB O=C(NCCCc1ccccc1)c1nnn(-c2ccc(Br)cc2)n1 77100489 SBVSAGPCZACXQP-UHFFFAOYSA-N 386.253 2.787 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(CC[C@@H](C(=O)NCC3CC3)O2)[C@H](C)C1 96261004 GTPWOZMAVANYHE-PTSWNOGYSA-N 376.522 2.983 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 251472158 LKSOQPWWEGSDRM-YSIASYRMSA-N 390.549 2.842 0 40 GFAB Cc1ccc(N2C[C@H](CNC(=O)c3ccnc(OCC4CC4)c3)OC2=O)cc1 253407134 VPRPLRHXXCAUQJ-SFHVURJKSA-N 381.432 2.934 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257325571 WTOBKSQUTQMPMC-INIZCTEOSA-N 380.404 2.834 0 40 GFAB Cc1cccc(Nc2cccc([C@H]3CN(C(=O)c4cn(C)nc4C)CCO3)n2)n1 257215454 CQDXZQGNGNTOTC-GOSISDBHSA-N 392.463 2.784 0 40 GFAB CC1(N2CCCC2)CCN(C(=O)c2cc(F)ccc2N2CCOCC2)CC1 633943316 IIYHUITXDNZDCQ-UHFFFAOYSA-N 375.488 2.753 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)cc1 1617797716 BBKYSYYSGWCGND-IBGZPJMESA-N 398.484 2.813 0 40 GFAB CCCN(Cc1ccccc1Br)C(=O)NC[C@H]1CCCNC1=O 656391464 VKODAJMXLRDINO-CYBMUJFWSA-N 382.302 2.897 0 40 GFAB C[C@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@@H]1Oc1cccc(Cl)c1 585263153 AFAVXHNOSPXXMT-ROUUACIJSA-N 381.881 2.933 0 40 GFAB Cc1cn2nc(C(=O)Nc3ccc(N(C)C)cc3)cc2c(N2CCSCC2)n1 169768662 MLVHRCGYLJXNEY-UHFFFAOYSA-N 396.520 2.909 0 40 GFAB O=C(O)c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1 95920004 KWDJFTHSCPFIQQ-UHFFFAOYSA-N 381.207 2.734 0 40 GFAB in-vitro COC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1 5482947 CSUPDFXGKDNJTD-UHFFFAOYSA-N 382.445 2.913 0 40 GFAB CC[C@@H](C(=O)NCc1cccnc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716370 HBOFQMWWDYGKOR-SFHVURJKSA-N 375.494 2.559 0 40 GFAB C[C@@H](Cn1cnc2c3cc(F)ccc3n(CC(N)=O)c2c1=O)c1ccccc1 14000777 PRDJISQFZDSRHI-ZDUSSCGKSA-N 378.407 2.779 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 14200837 JSNHWTHRBCNCBL-GUYCJALGSA-N 376.478 2.926 0 40 GFAB CN(C)c1nccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19585812 ZGHIECMEVIUETR-SFHVURJKSA-N 394.454 2.978 0 40 GFAB Cc1cc(N2CCO[C@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)nc(C)n1 19692613 BRODHIBJQTVBCJ-FQEVSTJZSA-N 389.459 2.832 0 40 GFAB CC(=O)N1CCCCCCCCN(CC(=O)N(C)CCO)Cc2ccccc21 643575567 LAVQBTXQGDLVAN-UHFFFAOYSA-N 389.540 2.646 0 40 GFAB Cc1ccnc(-n2cccc2CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1 19238225 APMRSORSBQGPOK-UHFFFAOYSA-N 398.470 2.884 0 40 GFAB COc1ccccc1NC(=O)CN1CCC(C(=O)N2CCC(F)(F)CC2)CC1 1888930594 SETKWTKMEGUPRP-UHFFFAOYSA-N 395.450 2.603 0 40 GFAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)c2cnc(C)nc2C)C3)cc1 2056224319 WTXRFHNCGVTCCJ-MRXNPFEDSA-N 384.505 2.914 0 40 GFAB Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3cccc(F)c3)nn2)cc1 15884239 RTMCGMNYLNOPCO-UHFFFAOYSA-N 387.436 2.948 0 40 GFAB COc1cccc(CCNC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)c1 23127332 UPICCZWWVDZQFT-UHFFFAOYSA-N 380.400 2.980 0 40 GFAB Cc1ccccc1CN1N=C(C(=O)N2CCCC2)S(=O)(=O)c2ccccc21 49402476 VJIDILPJTGXHHT-UHFFFAOYSA-N 383.473 2.725 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ccncc3)C2)c(C)c1 575611678 FVBWXUGIWCKMAI-GOSISDBHSA-N 389.477 2.581 0 40 GFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](OC)c2ccccc2Cl)cc1 206854879 HKVNKSWTJOJJOF-INIZCTEOSA-N 390.823 2.569 0 40 GFAB Nc1c(C(=O)[C@@H]2CCCN(C(=O)c3cccnc3)C2)cnn1-c1ccccc1 19374426 VVTMRCUYHFVYKB-MRXNPFEDSA-N 375.432 2.585 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)Cc3c[nH]c4ccccc34)ncn2)n1 36705480 AYSHJIXAVBYPBQ-UHFFFAOYSA-N 389.463 2.531 0 40 GFAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(O)cc2=O)cc1 2285474 ZWHCUVNFSLBSLI-UHFFFAOYSA-N 383.429 2.678 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 6603765 YSRBTLZFGKPIHV-MNRXQERYSA-N 375.421 2.793 0 40 GFAB biogenic Cc1nc2c3ccccc3nc(S[C@@H](C(=O)N3CCOCC3)C(C)C)n2n1 30741065 FBNSCPOUYQTZQL-MRXNPFEDSA-N 385.493 2.561 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(OC)ccc21 100876964 SZBQCYVEZHOBMW-VXPUYCOJSA-N 386.429 2.634 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(OCc2cccnc2)cc1 40154642 MZAYPVZYRZUCJP-OAHLLOKOSA-N 379.416 2.688 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NC1=NCCS1 20171470 VCCFEBNWMIVWHA-UHFFFAOYSA-N 396.501 2.640 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 31112233 XMKCGOMODYKQKD-CQSZACIVSA-N 385.464 2.984 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 36689234 JKSOCWDIYKJXPR-HNAYVOBHSA-N 379.460 2.589 0 40 GFAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)cc1C 932463 LXJASBGLHJUFJK-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1 31776740 YYLJFVNQNYBFCY-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 3486062 KMXINTYWVRZGQD-CQSZACIVSA-N 375.446 2.674 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)c1ccc(F)cc1 3596665 VYFAPTQOKJNWCX-KDOFPFPSSA-N 383.423 2.556 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 4386553 CTOAGKQOBAYIGR-UHFFFAOYSA-N 399.882 2.878 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)cc1 6112197 WCWZMKTWRKLCBX-UHFFFAOYSA-N 376.185 2.937 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O)N1CCCCC1 6496491 BVGVVQJNQFLWOD-LFIBNONCSA-N 398.440 2.842 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O 45963328 MJSHNDIJYOGLLI-SFHVURJKSA-N 393.487 2.871 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1OC 10008921 HXJLTENVSCABBH-UHFFFAOYSA-N 382.869 2.577 0 40 GFAB C[C@@H]1C[C@@H](OC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C(=O)O1 32736424 PKNXKRFILRCMEG-XXFPWJFMSA-N 389.351 2.756 0 40 GFAB COc1cc(N2C[C@@H](C(=O)OC3CCCCC3)CC2=O)cc(OC)c1OC 32796383 YDPDQHINRAIFJJ-ZDUSSCGKSA-N 377.437 2.941 0 40 GFAB COc1ccc(S(=O)(=O)c2cc3cccc(OC)c3oc2=O)cc1OC 2689572 BWQLLCPOSZMESX-UHFFFAOYSA-N 376.386 2.652 0 40 GFAB COc1ccc(C(=O)NCC(=O)OCc2ccc(F)cc2Cl)cc1OC 2630296 WLUNLDOKUUQIPQ-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB CN(CC(=O)NCc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2644843 RBFRUEBDKDFHGF-UHFFFAOYSA-N 387.288 2.930 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 32908726 FSWYGRIURNZHBM-ZDUSSCGKSA-N 380.388 2.728 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)cc1OC 51356600 GWQAJLCNMAKGBN-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2C1=O 43282211 LXABMEZTLFMZRR-MRXNPFEDSA-N 396.447 2.711 0 40 GFAB O[C@@H](CSc1nc(-c2ccccc2)n[nH]1)CN1CCN(c2ccccc2)CC1 20528684 CYEZBGHFNJRYID-LJQANCHMSA-N 395.532 2.747 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 12425116 HGTIYJRKONBXFH-IOASZLSFSA-N 376.478 2.728 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2)c1 22229774 WDXRYYRGBYMXES-QGZVFWFLSA-N 392.452 2.935 0 40 GFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc3ccccc3[nH]1)C2=O 12519884 ABCIUKXUTFCGPL-FKIZINRSSA-N 383.452 2.638 0 40 GFAB CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670388 VVEDKJNPNPKZSO-RBUKOAKNSA-N 388.491 2.511 0 40 GFAB CCC1(CC)COP(=O)(OCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)OC1 104324980 YKWZENVBPMZPQW-ZQDZILKHSA-N 383.381 2.771 0 40 GFAB COC(=O)[C@](NNc1ccccc1C)(NC(=O)c1ccccc1F)C(F)(F)F 2050375 XUOWNBXOAUFNPM-QGZVFWFLSA-N 399.344 2.912 0 40 GFAB CCOc1ccc(N2C(=O)c3ccc(C(=O)NC4=NCCS4)cc3C2=O)cc1 44817087 UKJIJXHMWUZUBJ-UHFFFAOYSA-N 395.440 2.719 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10219411 FODFCYCASCAYSL-UHFFFAOYSA-N 399.447 2.830 0 40 GFAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 36385864 FWFCZAXKISJVRM-MSOLQXFVSA-N 394.475 2.828 0 40 GFAB C[C@]1(c2cccc(NC(=O)COCc3ccccc3Cl)c2)NC(=O)NC1=O 48365008 IYEOPXJPDBLGHZ-LJQANCHMSA-N 387.823 2.550 0 40 GFAB CNC(=O)CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)NC 12816868 BUWIBNDYKFQYBX-UHFFFAOYSA-N 394.258 2.746 0 40 GFAB CCCCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 12854975 BTVASAKKEAQKTG-UHFFFAOYSA-N 379.468 2.569 0 40 GFAB Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccc(F)c1 3444212 UOHRJSSIFZITQL-UHFFFAOYSA-N 383.452 2.870 0 40 GFAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccco3)c2c1=O 48989677 XYAMGTIEJSHAQS-UHFFFAOYSA-N 376.416 2.794 0 40 GFAB Cn1c(CCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3)ccc21 13688202 YBAXNBRHVHWYCX-LJQANCHMSA-N 392.459 2.663 0 40 GFAB COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c(OC)c1 4282727 XLLVYJROADBALM-NRFANRHFSA-N 380.400 2.839 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 4288784 QVHRNKZDOFBGRD-MWTRTKDXSA-N 391.471 2.908 0 40 GFAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccccc4)c(=O)n3c(C)n2)cc1 65196637 BLKRIHYSSGGHKN-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB COC(=O)C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccccc1Cl 14076651 OFUSDCDTIUUZHU-MRXNPFEDSA-N 380.872 2.757 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 5701817 TXYIMAGHOAAOLD-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB Cc1cc(C)nc(SCCC(=O)OCC(=O)Nc2nnc(C(C)C)s2)n1 6922231 CSOCZXVTDQUDFV-UHFFFAOYSA-N 395.510 2.732 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 67287646 CRHWGYLWLCWFJB-IBGZPJMESA-N 387.480 2.742 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306126118 DNJNQQAEURDHAD-OAQYLSRUSA-N 392.484 2.863 0 40 GFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1CCO 67301022 WYRSLKKEVGWNMT-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 7114873 WLCWZCUNPAXJQV-QFBILLFUSA-N 384.501 2.658 0 40 GFAB COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc2c1CC[C@H](C)C2 15981752 RRHGPTPKUSBNTC-AVGNSLFASA-N 380.510 2.707 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(C)c(F)c3)C2=O)cc1 9051946 WQHXFITXFAAMQQ-SFHVURJKSA-N 399.422 2.982 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(Cl)c1 16401275 DOGRESHRRNELDZ-SFHVURJKSA-N 375.812 2.956 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1 9419668 NNCIUWIEXGRORC-JLSDUUJJSA-N 387.480 2.591 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F 72235961 GOEHEQLWICNVTM-INIZCTEOSA-N 398.410 2.828 0 40 GFAB C[C@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2cccc(OCc3cccnc3)c2)no1 97102687 CNDXZIJMYGNYHY-UGSOOPFHSA-N 394.431 2.659 0 40 GFAB CCN(CC)CCN(CC(C)C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 84771261 QWKQBHSLAPADMQ-UHFFFAOYSA-N 388.961 2.940 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O)c1ccc2c(c1)OCO2 95430258 JZFNYZPXQCRIRK-FQEVSTJZSA-N 398.802 2.645 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC1CC1 89662697 FJYRRVKQRZJGOI-SFHVURJKSA-N 384.480 2.646 0 40 GFAB COc1ccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 408618007 IPPUKCAWNUUBIK-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccccc2Br)n1 32623543 DRRMNJMFKKGDKZ-UHFFFAOYSA-N 391.630 2.515 0 40 GFAB COc1cccc(Cc2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 72349314 KZEQSKXXVAQEBV-KRWDZBQOSA-N 389.521 2.667 0 40 GFAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 32945321 MOPDRTGAYRIKEN-LZQZEXGQSA-N 381.476 2.955 0 40 GFAB CCc1nccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2cccnc2)C1 72350636 JCRHBNHCNWTDNX-KRWDZBQOSA-N 376.464 2.568 0 40 GFAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)c1ccc(F)cc1 64593389 ADELCNJUNKISKG-UHFFFAOYSA-N 380.404 2.994 0 40 GFAB O=C(c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 72380540 BRKRDJGNNGQUJH-INIZCTEOSA-N 388.899 2.915 0 40 GFAB COc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(Br)cc1 226354060 OGSYDXZRCALDSY-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223169647 BGGMUKVFHVQALO-CQSZACIVSA-N 390.480 2.958 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 230172085 QQRMRAOYCBSXRC-HLIPFELVSA-N 383.536 2.792 0 40 GFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 247769324 NCBMYTSFKJNSSQ-IIDMSEBBSA-N 394.475 2.792 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccccc2Cl)C1 41172820 UEEQYHZJNILUDC-GOSISDBHSA-N 395.864 2.873 0 40 GFAB CN(C)Cc1cn(-c2ccccc2C(=O)NCCc2ccc(N(C)C)cc2)cn1 257220680 DLRXFKXEKLTEEL-UHFFFAOYSA-N 391.519 2.972 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCCC[C@@H]1c1nnc(-c2cnccn2)o1 257212541 CDXNAIHMYYNWQX-OAHLLOKOSA-N 389.412 2.582 0 40 GFAB Cc1noc(CN2CCCC[C@H](NC(=O)Nc3ccc(C4CCC4)cn3)C2=O)n1 644441424 RMTJEOVWACHJPN-INIZCTEOSA-N 398.467 2.743 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CC[C@@]2(O)CCCC[C@H]2C1 604403947 FLAIOXCZEXUVBW-JTSKRJEESA-N 383.444 2.986 0 40 GFAB biogenic COc1ccc(-c2nnc(SCCNS(=O)(=O)c3ccccc3)o2)cc1 48186537 AAICEWYJQVUFPX-UHFFFAOYSA-N 391.474 2.816 0 40 GFAB C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C[C@@H](C)O1 72396906 FOFHDSRQSNHPIB-HUUCEWRRSA-N 387.505 2.896 0 40 GFAB Cc1c(C(=O)Nc2ccc(O[C@@H](C)C(=O)O)c(F)c2)cnn1C1CCOCC1 630259357 YYSQDHDXIADJAI-LBPRGKRZSA-N 391.399 2.786 0 40 GFAB COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4[nH]nc5c4C[C@H](C)CC5)C[C@@H]32)cc1 12087690 HWEAVOIBVAYWSG-CPMLIZHXSA-N 395.503 2.913 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)Nc2ccccc21 12117930 RISJWZFOBCHBHD-PXNSSMCTSA-N 396.535 2.815 0 40 GFAB O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(C(=O)N2CCOCC2)c1 12148646 NMQYBROGEIKPNO-UHFFFAOYSA-N 381.407 2.892 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NC3CCCC3)cs2)cc1 12628214 BAUQEHDMNZFPKW-UHFFFAOYSA-N 381.479 2.625 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C)c1)S(C)(=O)=O 13668988 FNBGOFWHDWONIU-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB CSCC[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1nnc2ccccn12 15972095 KDJYMHHKGSFMMC-MRXNPFEDSA-N 383.477 2.912 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2cccc(F)c2)C3)CC1 19016847 CDGVCXUTHPBATI-UHFFFAOYSA-N 382.439 2.540 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 19020329 QVGWDSBLNPAZPT-OXQOHEQNSA-N 381.432 2.540 0 40 GFAB COc1cccc(CC(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)c1 19239226 KRHLPBNXJFWBJZ-UHFFFAOYSA-N 393.447 2.792 0 40 GFAB COc1ccc(OC)c(CN2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 19551439 VSDPLSOZOUQJDT-OAHLLOKOSA-N 392.459 2.839 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1C 19571110 HFJIZPQZQXXZQO-GOSISDBHSA-N 394.519 2.730 0 40 GFAB CC(=O)N1CCN(c2cc(C)nc([C@H]3CCN(C(=O)C4CCCCC4)C3)c2)CC1 19705313 ZWQPVUYJHOUTTD-FQEVSTJZSA-N 398.551 2.955 0 40 GFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(CCc1ccccc1)C2 19708595 XVFNKTNKEAHCPE-HXUWFJFHSA-N 379.508 2.803 0 40 GFAB CN(c1ccc(OCC(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1 19937814 VQSCBFZCTNXXLH-UHFFFAOYSA-N 388.489 2.949 0 40 GFAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)C4CCCC4)CCO3)n2)cc1 607855205 BMIKVEFUDBAXJT-FQEVSTJZSA-N 379.460 2.938 0 40 GFAB O=C([C@@H]1CN(Cc2csc(C3CCCC3)n2)CCO1)N1CCSCC1 1888863660 MRSIFZCAQWVCAM-INIZCTEOSA-N 381.567 2.577 0 40 GFAB COC(=O)CN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889040928 CIQHYJWAKIMHBM-UHFFFAOYSA-N 394.836 2.957 0 40 GFAB CC(C)c1noc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n1 1849359661 CPVRXZFVAKMERA-UHFFFAOYSA-N 385.443 2.954 0 40 GFAB O=S(=O)(c1cccs1)N1CC[C@@H](Oc2ncccc2Br)C1 238840898 HTXFCXNNPNDPOI-SNVBAGLBSA-N 389.296 2.748 0 40 GFAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br 261765254 ODRCPLLUNCVTRQ-SNVBAGLBSA-N 382.663 2.730 0 40 GFAB O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 4224691 FIBKNNBWALETGM-MHZLTWQESA-N 385.420 2.791 0 40 GFAB Cc1ccc(C(=O)Nn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 11665741 KCFYYQXQNAIVEZ-UHFFFAOYSA-N 379.807 2.928 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(C[C@H](N(C)Cc4ccccn4)CO3)C2)cn1 2055837510 WLUNRGMIIJRTEK-UNMCSNQZSA-N 380.492 2.681 0 40 GFAB Cc1nc(NC(=O)c2coc(NC(=O)Cc3c(C)noc3C)n2)sc1C 211073236 ZKHVWVZFXSXOPC-UHFFFAOYSA-N 375.410 2.786 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)n2cccn2)cc1F 575613659 JPSJINZVOTZKDE-HNNXBMFYSA-N 379.413 2.582 0 40 GFAB Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 98064841 JVAFVUTXGSWERZ-CMDGGOBGSA-N 386.882 2.708 0 40 GFAB Cc1cc(Br)ccc1N1C[C@@H](C(=O)Nc2ncccc2O)CC1=O 23082397 FJVLNFZEXKZXMX-NSHDSACASA-N 390.237 2.850 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100074409 FDNWFVRBCSOHLB-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 40145117 CXBIEPCGHQVBIS-OAHLLOKOSA-N 389.521 2.504 0 40 GFAB CSCC[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1 30910410 HEEYOSCDFKBBNO-QGZVFWFLSA-N 393.476 2.763 0 40 GFAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 827522 ISJDVVWQJLSHDH-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCCC3)o2)n1 925079 RXBSDLAJNBFYPX-UHFFFAOYSA-N 379.511 2.873 0 40 GFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1c1nnc2ccccn12 29078466 JJYIHXZEIUKWNB-RDJZCZTQSA-N 393.447 2.708 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)c1 1353416 LGDKAAKXMCOZPX-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB COc1ccc(CNC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)cc1 1353455 ZDYOFZBRNKKBKB-UHFFFAOYSA-N 383.477 2.696 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(F)c3)C2)cc1 1363332 PPVPCZVQTCXJOR-AWEZNQCLSA-N 392.452 2.874 0 40 GFAB Cc1nc(NC(=O)CCCOc2ccc(F)cc2)sc1SCC(N)=O 31797509 BFYXZBUBDITPAZ-UHFFFAOYSA-N 383.470 2.966 0 40 GFAB CCOC(=O)CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 4078356 RKTAIQUMEXZIFX-UHFFFAOYSA-N 387.870 2.864 0 40 GFAB CCOC(=O)CN(C(=O)CN1CCCCC1)c1ccc(Br)cc1 4892594 AROMYYODDMPXQV-UHFFFAOYSA-N 383.286 2.831 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 6957067 RFENNNQZNIBXDI-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB Cc1cccc(NC(=O)COc2ccc([C@H]3CC(=O)Nc4ncnn43)cc2)c1C 8320906 PQIYZHNAROPFRI-GOSISDBHSA-N 391.431 2.844 0 40 GFAB Cc1ccc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C 21119794 BNJMHSPWFKJLLD-HXUWFJFHSA-N 383.473 2.894 0 40 GFAB C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1 32738287 BKDYYWYTPZZRHA-ZDUSSCGKSA-N 376.416 2.817 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1=O 32772898 ZBAOYXOASNXISM-UKRRQHHQSA-N 393.443 2.960 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc3c(c1)CCN3S(C)(=O)=O)C2 102222992 ZKCGGGXFWXCBER-VPWXQRGCSA-N 376.522 2.953 0 40 GFAB COc1ccc(C(=O)Nc2ccc(C)c(-n3nnnc3C)c2)c(OC)c1OC 60362638 UIULYNYKQQTXNU-UHFFFAOYSA-N 383.408 2.557 0 40 GFAB C[C@@H](c1cccs1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 32825842 HRDKSHQBGWGNNK-AWEZNQCLSA-N 393.534 2.763 0 40 GFAB CCOc1ccccc1-c1nc(CC(=O)NCc2nnc3n2CCC3)cs1 32889132 QXYJERABRDMLNY-UHFFFAOYSA-N 383.477 2.605 0 40 GFAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1 54254000 QVVVVWVXCNMAJL-LJQANCHMSA-N 396.443 2.620 0 40 GFAB CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670386 VVEDKJNPNPKZSO-OALUTQOASA-N 388.491 2.511 0 40 GFAB O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 54628890 MPIGDRFCSPTRDG-IBGZPJMESA-N 378.432 2.755 0 40 GFAB CC(C)CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 12592456 KFCPTLNGGUJEEC-RDFMZFSFSA-N 399.896 2.754 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20048649 JHIYGBKYYSPFMA-CQSZACIVSA-N 394.468 2.868 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C 106541138 BTIXHIAHTXHLNC-LSTDLKDCSA-N 378.538 2.913 0 40 GFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 10448867 AGHQZSDKTSXXBI-CQSZACIVSA-N 394.468 2.695 0 40 GFAB COc1cccc(CC(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 25299891 FZWPEDHBFZJMNU-CQSZACIVSA-N 379.420 2.668 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(F)c2)c1 55796192 DGQTUXOTWWJFPI-SFHVURJKSA-N 392.452 2.767 0 40 GFAB CCCOc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1 22385519 IAUGEEAIZXKFQD-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCCC3)c2=O)c1 57492318 OAGIRYISUGESLB-UHFFFAOYSA-N 397.500 2.843 0 40 GFAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 57898151 OLQKPZHGANUCSK-OLZOCXBDSA-N 396.896 2.941 0 40 GFAB O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3256401 FLEJRANWCIIDKV-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cc1C 408550178 AWSJQPYAEAYYOS-OAHLLOKOSA-N 380.510 2.677 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)NCc2ccccc2OC(F)F)c1 10363276 KSLIUOYFJRMMTQ-UHFFFAOYSA-N 399.419 2.659 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCN1C(=O)c1ccccc1O 45030561 NMMHXJGYUYRBMD-INIZCTEOSA-N 382.416 2.797 0 40 GFAB CC(C)[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 2275058 QKGRIBSRJBJWAO-FSEPTYSPSA-N 384.407 2.822 0 40 GFAB biogenic CCOC(=O)/C=C1\SCC(=O)N1[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 12734516 IAKMRFRQWAGNKJ-SLVCOGOPSA-N 376.478 2.919 0 40 GFAB COc1ncccc1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 48278170 OZIRTADZDHEDSA-UHFFFAOYSA-N 381.479 2.579 0 40 GFAB COC(=O)c1sc2nc(Cc3cnn(-c4ccccc4)c3)[nH]c(=O)c2c1C 12810068 RMXDPABONAEQMU-UHFFFAOYSA-N 380.429 2.856 0 40 GFAB CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 49574786 RZYDMQDCRCMWJW-RDTXWAMCSA-N 384.480 2.716 0 40 GFAB COC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C 8651143 VWEJFTOZMZCIRR-CYBMUJFWSA-N 380.489 2.983 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCC2=CCCCC2)c1C 6206608 TVLROHQJVUVVNK-UHFFFAOYSA-N 376.453 2.972 0 40 GFAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 14018850 VRURQKAXPMEZPX-UHFFFAOYSA-N 379.460 2.947 0 40 GFAB O=C1Cc2cc(C(=O)CSc3nnc(NC[C@H]4CCCO4)s3)ccc2N1 14124304 ILEDRVNNQDVPOH-GFCCVEGCSA-N 390.490 2.599 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[C@H]2Oc3ccccc3NC2=O)c1 14246042 ZFYOOIGNLNNLNE-FZKQIMNGSA-N 396.399 2.549 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)OCc2nc(-c3cccc(OC)c3)no2)c1C 14245011 GNXGSBVTJDKQGY-UHFFFAOYSA-N 385.376 2.834 0 40 GFAB CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 71328845 ACRVWJBJGNXGDC-LJQANCHMSA-N 393.443 2.679 0 40 GFAB COCCNC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 6623817 OLBMELDBPGYXDG-UHFFFAOYSA-N 397.427 2.918 0 40 GFAB biogenic COc1ccc([C@@H]2C[C@H](c3ccc(OC)c(OC)c3)Nc3nnnn32)cc1OC 6756402 OKGJKPZQDOUAHU-CABCVRRESA-N 397.435 2.854 0 40 GFAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1C(=O)NC1CCCC1 7454947 RRIAOKDCJINKDB-UHFFFAOYSA-N 390.447 2.651 0 40 GFAB CN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)c1ccccc1 15858253 GXZKHIPRLSLIBY-UHFFFAOYSA-N 378.837 2.683 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCC(C)C 22248418 BFRLYNPHTAYRJT-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1F 96014165 MIDCDYHLHPUWPF-SFHVURJKSA-N 390.547 2.811 0 40 GFAB C[C@H]1CN(c2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cn2)C[C@H](C)O1 96308226 CZZXUTUIRACZHC-QWRGUYRKSA-N 393.373 2.895 0 40 GFAB Cc1coc(-c2cccc(NC(=O)C(=O)N(C)CC[C@@H]3CCCCN3C)c2)n1 84265441 RMLQWTVADKREJP-SFHVURJKSA-N 384.480 2.921 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cc(=O)c2ccccc2o1 84585455 NLZOHADSTSHLGW-UHFFFAOYSA-N 376.412 2.959 0 40 GFAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 22519156 VYUJCRYNZSAUEO-HNNXBMFYSA-N 378.469 2.913 0 40 GFAB O=C(NCCNc1ncc(Cl)cc1Cl)c1ncn(-c2ccccc2)n1 95452942 RDIJZGLMQLRTMO-UHFFFAOYSA-N 377.235 2.811 0 40 GFAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CS(=O)(=O)c4ccccc43)cc2)n1 78815421 OMMSNEAECMZRIQ-IBGZPJMESA-N 395.484 2.807 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@@H]3C2=O)cc1 98212472 BUARZOXKKCIUSY-OALUTQOASA-N 391.431 2.544 0 40 GFAB CN(CC(=O)NCC1CCCCCCC1)C1=NS(=O)(=O)c2ccccc21 89337151 DZVUGCICQUPLFF-UHFFFAOYSA-N 377.510 2.544 0 40 GFAB Cc1cc(C)nc(Nc2nc3n(n2)C2(CCN(C)CC2)Nc2ccccc2-3)n1 22607166 PYMMUHYGAANNNU-UHFFFAOYSA-N 376.468 2.899 0 40 GFAB O=C(NCCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20495896 ZQKPMDZPRSCSLL-UHFFFAOYSA-N 386.517 2.975 0 40 GFAB NC(=O)[C@@H]1CCCN1[C@@H](C(=O)O)c1c[nH]c2cc(OCc3ccccc3)ccc12 20732623 KTDJJSNWLNTZSV-VQTJNVASSA-N 393.443 2.822 0 40 GFAB CCN1C(=O)N/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O 409245015 MCZHJIZJMKUYRG-WEVVVXLNSA-N 390.031 2.830 0 40 GFAB Cc1cc(N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)n2ncnc2n1 35315016 IEAYCZYXLYMVSL-HNNXBMFYSA-N 384.871 2.619 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1CCc1ccccc1)NC1CC1 35290383 OEWBKWKYRLDWCC-UHFFFAOYSA-N 379.489 2.954 0 40 GFAB COc1ccc(CCc2nnc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)s2)cc1 71288141 PONUFCKSIQBZKF-UONOGXRCSA-N 375.450 2.627 0 40 GFAB O=C1C[C@@H]([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)Oc2ccccc21 72396470 JJWCNDMDQHIECJ-KUHUBIRLSA-N 376.416 2.616 0 40 GFAB COc1ccc(CCNC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 70636629 DFLLYVZESXCPOW-SFHVURJKSA-N 382.382 2.987 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)NCCN1CCN(c2ccccc2)CC1 56997507 WYFBTSALZUKWTM-UHFFFAOYSA-N 393.940 2.749 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc(-c2ccccn2)nn1 56908187 DNAMXNQTQPVGOT-AWEZNQCLSA-N 382.395 2.640 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218057545 VUUITNNDAYGDSQ-SOLBZPMBSA-N 379.865 2.540 0 40 GFAB COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)cc2c1OCO2 36559089 YOHQGFGRJUQCTH-SFHVURJKSA-N 395.367 2.563 0 40 GFAB CC(=O)N1CCC(N2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)CC1 49170263 IVSNRUJOSDTLNO-KRWDZBQOSA-N 383.496 2.603 0 40 GFAB biogenic,in-vitro COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 223066065 ONHBFRDFYFPJQT-AWEZNQCLSA-N 388.489 2.898 0 40 GFAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccccc1 139106995 XROVXQMFZWLXGL-LSDHHAIUSA-N 395.463 2.603 0 40 GFAB CCc1ncc(C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)s1 527035517 PRMWOTNPTDTIGU-UHFFFAOYSA-N 391.444 2.928 0 40 GFAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N2 40386777 SAGLWLSLQUIRJX-MRVPVSSYSA-N 387.749 2.856 0 40 GFAB Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cnn([C@@H]2CCCNC2)c1 583078620 OCKSJCDXGBZOKV-QGZVFWFLSA-N 384.871 3.207 0 40 GFAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(=O)C(C)C)C2 97952788 RXXMMQACVFTBDX-FQEVSTJZSA-N 377.554 2.595 0 40 GFAB CN1c2ccccc2N(CCNC(=O)/C=C/c2ccccc2Cl)S1(=O)=O 245053460 OVNUZCSNHZDLAU-UHFFFAOYSA-N 391.880 2.671 0 40 GFAB Cc1ccc(-n2cnnc2CNC(=O)c2cccnc2O[C@@H]2CCSC2)cc1 252484183 FQPBHRAAVYLJCQ-MRXNPFEDSA-N 395.488 2.785 0 40 GFAB Cn1ccc(C(=O)N2[C@H]3CCCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)n1 257332840 XYXUXSLBTFDUPK-LZNRXBQRSA-N 380.492 2.695 0 40 GFAB O=C(O)[C@H]1CCCN1C(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1 256028081 RRMXGDRQZRERPW-GOSISDBHSA-N 393.395 2.914 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)cn1 257334729 YHDDHUQDBWWPGS-OAHLLOKOSA-N 378.436 2.552 0 40 GFAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)ncn1 257283099 OWTHYYWEVAOPGS-CYBMUJFWSA-N 388.418 2.552 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 260764155 KAFRHZDTLYEQEH-MRXNPFEDSA-N 390.505 2.810 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1NC(C)=O 260808249 HPGYEOOSRPVAEM-AWEZNQCLSA-N 399.582 2.767 0 40 GFAB C[C@@H]1C[C@H](CO)CCN1C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 629674510 LRSIROWIDNAGAN-ZIAGYGMSSA-N 380.448 2.574 0 40 GFAB COC[C@]1(C(=O)O)CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)C1 635502490 ALIUEVUGUXUJNV-KRWDZBQOSA-N 395.506 2.813 0 40 GFAB O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccn(CCc2ccccc2)n1 649165860 DFUZWNMQODUROM-HXUWFJFHSA-N 380.492 2.789 0 40 GFAB O=C(O)c1coc(NC2CCN(Cc3cccc(Br)c3)CC2)n1 649395496 NNLCSLHPAZJLBW-UHFFFAOYSA-N 380.242 3.212 0 40 GFAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@H]1COC[C@H]1O 654043361 AOHVHHDDFFSGLB-RTBURBONSA-N 386.398 2.922 0 40 GFAB O=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl)c1ccccc1 96366935 KZJYXCSGGLWGEK-CQSZACIVSA-N 399.921 2.967 0 40 GFAB O[C@]1(CNCc2ccc(OCc3ccccn3)cc2)CCN(c2ccccn2)C1 585271306 VZEQIWCXORUYJT-QHCPKHFHSA-N 390.487 2.787 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)N1CC(CC2CC2)C1 685939024 VFBDFARJPIPQFW-UHFFFAOYSA-N 387.465 2.541 0 40 GFAB Cn1c(CNS(=O)(=O)c2ccc(F)cc2)nnc1SCc1ccccc1 5001693 MBAHEZRGDQWSPE-UHFFFAOYSA-N 392.481 2.725 0 40 GFAB Nc1cc(-c2cccs2)nn(CC(=O)N2CCC[C@H](c3ccccc3)C2)c1=O 12146766 MWVWBNFCXPDONT-INIZCTEOSA-N 394.500 2.960 0 40 GFAB Cc1ccc2c(c1)CN(C(=O)Cc1ccc3c(c1)OCO3)[C@H](CN(C)C)CO2 12406613 SBVDPQSLPFQSEK-GOSISDBHSA-N 382.460 2.618 0 40 GFAB CC(C)(C)Nc1c(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc2ccccn12 19083118 UQOSUPKUBRVJDT-OAHLLOKOSA-N 383.496 2.529 0 40 GFAB CN1CCc2nnc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2CC1 19710762 IKXUJUHIMLAKSR-QGZVFWFLSA-N 387.915 2.716 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)N1CCCCCC1 5263959 VFFZBZBZPUPGPM-UHFFFAOYSA-N 398.532 2.670 0 40 GFAB COc1ccccc1[C@]1(CCNS(=O)(=O)N2CCCC2)CCOC(C)(C)C1 12362151 IUUNHKRCHKTDSV-HXUWFJFHSA-N 396.553 2.842 0 40 GFAB Cn1nc(-c2cnccn2)cc1CNC(=O)Cc1cccc(C(F)(F)F)c1 240002171 PNTSDCLVYUVSDB-UHFFFAOYSA-N 375.354 2.755 0 40 GFAB COc1ccc(OC)c([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)c1 244969048 GVYXQJVKXAKNHC-MJXNMMHHSA-N 393.447 2.954 0 40 GFAB Cc1c(C)n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc2[nH]c1=O 4250471 JEPKZNKVRARSRI-UHFFFAOYSA-N 397.382 2.784 0 40 GFAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccccc3)c2n1 8946431 LFKOBEGNGBGUST-UHFFFAOYSA-N 382.493 2.578 0 40 GFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccccc3F)c2n1 8941400 ZMBAMJOYESJSNB-UHFFFAOYSA-N 388.472 2.938 0 40 GFAB COCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)cc1C 9661265 JZBZTLUCGNJFGP-UHFFFAOYSA-N 391.435 2.511 0 40 GFAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4043488 GOUMLHLYFWBNID-LDDOYCOJSA-N 392.249 2.687 0 40 GFAB biogenic NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCC4)n3)ccn2)CC1 35424746 UYSXOZLJXZXGHG-KRWDZBQOSA-N 396.495 2.523 0 40 GFAB biogenic,in-vitro CN(CCCOc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)c1 31121792 MVMFRTCZFWKADC-UHFFFAOYSA-N 384.480 2.529 0 40 GFAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1OC 28606939 HCPOIDVYJGEFJV-UHFFFAOYSA-N 385.445 2.682 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2cc(Cl)nc(N)n2)cc1)C(=O)O 59030488 KOGJTURHFMAARC-ZDUSSCGKSA-N 392.843 2.900 0 40 GFAB CC[C@H](NC(=O)CCc1n[nH]c(=S)[nH]c1=O)c1ccc(Br)cc1 11255695 QQGSNUAINPQFKV-NSHDSACASA-N 397.298 2.790 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c(=O)[nH]1 11255145 YQCVJEJBNUMPLE-UHFFFAOYSA-N 388.855 2.738 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)c3ccccc3C2=O)c1 7895059 ZBWLRLCOAZXWJL-GOSISDBHSA-N 394.427 2.664 0 40 GFAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 2731507 QAGUXRWQZDNBFH-GEEKYZPCSA-N 392.242 2.905 0 40 GFAB NC(=O)[C@@H]1CCCN1[C@H](C(=O)O)c1c[nH]c2cc(OCc3ccccc3)ccc12 20732627 KTDJJSNWLNTZSV-PMACEKPBSA-N 393.443 2.822 0 40 GFAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccc(F)cc1 4860927 MUJGQRPCNNHZLM-UHFFFAOYSA-N 398.390 2.685 0 40 GFAB Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)c1 4861383 MVWLXGJGZRGUSF-UHFFFAOYSA-N 387.505 2.734 0 40 GFAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3C(=O)CC)cs1 4893914 YRCJWQLICUECIH-LLVKDONJSA-N 387.461 2.999 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1NS(C)(=O)=O 32771541 XGEGDRMUYDOHDX-NSHDSACASA-N 381.429 2.645 0 40 GFAB CN1N=C(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)CCC1=O 32836922 CMODGLDULWBIQY-UHFFFAOYSA-N 380.235 2.785 0 40 GFAB O=C(C1CCCC1)N1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 32829586 SKABUTDDINPGPM-UHFFFAOYSA-N 394.454 2.793 0 40 GFAB Cc1cccc(C)c1NC(=S)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 16314359 TYIVLUGKCARJDZ-CVEARBPZSA-N 382.551 2.668 0 40 GFAB O=C(CCSc1nccc(C(F)(F)F)n1)Nc1ccc2[nH]c(=O)[nH]c2c1 32903561 XBUXTQXAKBKCHT-UHFFFAOYSA-N 383.355 2.786 0 40 GFAB Cc1sc2ncnc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1C 2629922 DQAVQJKHENMGPA-UHFFFAOYSA-N 388.518 2.819 0 40 GFAB O=C(CCC(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 33028368 BCXZEULZNBRZEU-NRFANRHFSA-N 384.520 2.852 0 40 GFAB COC(=O)c1ccc(-c2cccc(C(=O)OC)c2C(=O)OC)cc1C(=O)OC 22002356 KMUZCUGHNARCSD-UHFFFAOYSA-N 386.356 2.500 0 40 GFAB CCOc1ccccc1CCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 9691593 YMBHCAKAQLRMQW-CQSZACIVSA-N 376.478 2.543 0 40 GFAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1Br 37382768 TZIFYRJANHSPGV-GFCCVEGCSA-N 376.272 2.555 0 40 GFAB Cc1cc(C)cc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 12374062 VDNANKBFYOZTHY-MRXNPFEDSA-N 395.507 2.957 0 40 GFAB CCc1cccc(NC(=O)CN[C@H](C(N)=O)c2ccc(Br)cc2)c1 105402160 TVDQOMGFGYWJMM-KRWDZBQOSA-N 390.281 2.766 0 40 GFAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c1C 24752122 MGEBCJVZDKAICZ-UHFFFAOYSA-N 376.434 2.931 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C 3024551 YVCVGLKCBVYTIL-UHFFFAOYSA-N 392.452 2.716 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2C)cc1 25218266 DHSXKNAQWBGNDL-OAHLLOKOSA-N 376.478 2.502 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1OC(F)F 3284014 BVVPCRNBUXPDQV-UHFFFAOYSA-N 381.379 2.871 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 306143354 XZZJACVFRWWJGY-JTHBVZDNSA-N 395.503 2.790 0 40 GFAB Cc1cc(C(=O)NCCCn2ccc3ccccc32)cc(S(N)(=O)=O)c1C 12639731 IWJSWTOWOIYQFP-UHFFFAOYSA-N 385.489 2.726 0 40 GFAB Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 12632484 HCXQBQRIYFPOLE-UHFFFAOYSA-N 394.519 2.760 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 10834131 DSNKMZZELXGQBM-OAHLLOKOSA-N 396.896 2.869 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 12894610 GCJRERSWXWTRSN-JXMROGBWSA-N 384.501 2.561 0 40 GFAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 12995625 GBIMILIITBQWIG-SFHVURJKSA-N 395.532 2.961 0 40 GFAB C[C@H](NC(=O)N1CCC(c2ccccc2)CC1)c1cccc(S(N)(=O)=O)c1 12987152 JGHDHVLUXRNHMN-HNNXBMFYSA-N 387.505 2.984 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2Cn2cccn2)cc1 12916346 CQUMBIJEESIYDE-UHFFFAOYSA-N 397.500 2.720 0 40 GFAB C[C@@H](CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F)c1ccccc1 12986534 RHAAVFCIMZIRBI-NSHDSACASA-N 391.353 2.508 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccccc1 17323284 QXKCJBNHQQUMHV-KSSFIOAISA-N 385.489 2.627 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc(O)cc1 13688818 YXTJEDUBEDSXEC-UHFFFAOYSA-N 389.458 2.831 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1 5135045 QVFIXDUUDUOXKC-UHFFFAOYSA-N 377.418 2.897 0 40 GFAB Cc1ccc([C@H]2NC(=O)N[C@H](c3ccc(C)cc3)C23C(=O)NC(=O)N=C3O)cc1 17086901 LLJSRJURUFTWMF-HZPDHXFCSA-N 392.415 2.591 0 40 GFAB COc1ccc(CCC(=O)N2CCCN(CCn3nc(C)cc3C)CC2)cc1 68819211 XLPBXDYQVJGXOU-UHFFFAOYSA-N 384.524 2.676 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H]1CCCc2ccccc21 14020323 PRDSKGPGWLETTR-IBGZPJMESA-N 387.505 2.613 0 40 GFAB COC(=O)c1cc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc(C(=O)OC)c1 18116030 RTBFEHLUUSCMCP-UHFFFAOYSA-N 395.367 2.927 0 40 GFAB COc1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 15843228 PUOOWTHVMQQOHQ-UHFFFAOYSA-N 388.445 2.650 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](C)c3ccccc3)C2=O)cc1 7653749 BPOISKXQJOLYRY-KSFYIVLOSA-N 379.460 2.682 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)[C@H]2CC[C@@H]1C2 20435757 IPNCPTBPSQGIRF-DACLVMHWSA-N 394.874 2.870 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1F 97016181 QWRVOQVFKKTCQG-UHFFFAOYSA-N 395.412 2.988 0 40 GFAB O=C(OCc1ccccc1F)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 97124571 KVZXUJGNAFJWIF-INIZCTEOSA-N 381.450 2.633 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2cc(-n3cnnn3)ccc2Cl)c1 72404281 BPKOYZQCLAVCKF-UHFFFAOYSA-N 396.838 2.709 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cn2)C[C@@H](C)O1 84713715 UFSIUSAPQIUCOZ-HZPDHXFCSA-N 388.512 2.863 0 40 GFAB CC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)on1 95451158 BWNVRSHZENHYEL-UHFFFAOYSA-N 393.450 2.703 0 40 GFAB Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 95965505 SNNOXTFWVRZQBB-MAUKXSAKSA-N 379.526 2.736 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 95999570 XTEMWTZZTOBLLB-MRXNPFEDSA-N 392.463 2.836 0 40 GFAB CN(C(=O)CSc1ccccc1C(=O)N1CC[C@H](O)C1)C1CCCCC1 75092804 NZHGYUUARFXUBI-INIZCTEOSA-N 376.522 2.777 0 40 GFAB O=c1c(-c2ccc(F)cc2)nnc2n1CCC21CCN(Cc2cccnc2)CC1 306131854 KQYUCHRHEIRBFU-UHFFFAOYSA-N 391.450 2.777 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C(C)C)c1 60242962 QNGMWPWGRISWAU-LJQANCHMSA-N 394.475 2.579 0 40 GFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCO 67300904 AKXIOJDFWNJTSL-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB CC1=NN(C(=O)[C@H](O)c2ccccc2)[C@](O)(c2ccc(Br)cc2)C1 408563580 OKBTYAQSWCNUSO-SJLPKXTDSA-N 389.249 2.936 0 40 GFAB CCN(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)OCc1ccccc1 79413354 RXXVEHRWLHXGSU-IBGZPJMESA-N 375.513 2.867 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655981 XBCIAHGLSRIMTF-CYBMUJFWSA-N 384.390 2.796 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)c1 72350332 MRKKSACFQNLJMN-GOSISDBHSA-N 396.516 2.974 0 40 GFAB COc1cc(C(=O)Nc2nnc(-c3csc(C)n3)o2)cc(OC)c1OC 56904044 FNCYUCBFCUSKRT-UHFFFAOYSA-N 376.394 2.780 0 40 GFAB Cc1ccccc1-n1ncc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c1C 557770965 RLJRIRSXLMUHCB-GOSISDBHSA-N 396.878 2.969 0 40 GFAB O=C(c1cccs1)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 37183563 CRGFAJQGXPLESK-IBGZPJMESA-N 383.517 2.870 0 40 GFAB COc1cccc(CCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1OC 517416480 SGUNTBQILSABNF-SFHVURJKSA-N 382.460 2.726 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(CN)C(=O)O)cc1 218575031 JJYMCHHCEJXEPQ-JFIYKMOQSA-N 379.865 2.618 0 40 GFAB CCN1CCC(CC(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)CC1 72374431 RJPBAZKLXFDYMU-UHFFFAOYSA-N 386.540 2.611 0 40 GFAB CCc1cc(CC)nc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)n1 561104085 VOYRUGWJLQJOTP-UHFFFAOYSA-N 384.480 2.581 0 40 GFAB O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCN(c2ccccc2)CC1 71288765 YRXWSWYVKYAMPJ-UHFFFAOYSA-N 385.899 2.695 0 40 GFAB CC(C)CSc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 223964493 LEDIXAUOUOBZLO-UHFFFAOYSA-N 387.508 2.858 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)c2ccccc2C)cc1 40071300 JGAKFKTVKCTUJD-INIZCTEOSA-N 375.494 2.642 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)NCc1nnc2cc(C(F)(F)F)ccn12 225808181 SKYUYZDPOVUOMV-VQHVLOKHSA-N 382.367 2.838 0 40 GFAB Cn1ccc([C@@H]2NC(=O)N(CC3(c4ccc(C(F)(F)F)cc4)CC3)C2=O)n1 571263031 JDZYEONEPPRANH-AWEZNQCLSA-N 378.354 2.764 0 40 GFAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1 193412786 AEPIUBQKGLKZFW-UHFFFAOYSA-N 384.194 2.826 0 40 GFAB COc1ccc(C)cc1C[C@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O 225165336 NGIBXBMTUKXULJ-MRXNPFEDSA-N 381.425 2.605 0 40 GFAB O=C(NCC1(O)CCCC1)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 582167014 HPTMWKWPIDAORC-JKSUJKDBSA-N 385.430 2.621 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCO2 222438644 HUDCGLGHDUNSJI-INIZCTEOSA-N 382.460 2.820 0 40 GFAB O=C1CCCN1CCCNc1ncncc1-c1nc(-c2ccccc2F)no1 252509265 YIUOLFGEYOSACH-UHFFFAOYSA-N 382.399 2.757 0 40 GFAB CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cnn(-c2ccccc2F)c1 620915160 CXCINSYAJDNUAW-QGZVFWFLSA-N 386.471 2.727 0 40 GFAB O=C(Cn1cnc(C(F)(F)F)cc1=O)N1CCC(Cc2ccccc2)CC1 641510946 JLWQKHVYWJCLCJ-UHFFFAOYSA-N 379.382 2.743 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390828581 BGVNTBFLLUQMOG-LLVKDONJSA-N 392.385 2.528 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96120130 VXAIONXQHOTESY-GOSISDBHSA-N 393.892 2.966 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)n1 390828217 PLYJPIVNQJKLHR-GFCCVEGCSA-N 385.848 2.728 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 575420598 DFMUZUVILACRAZ-MRXNPFEDSA-N 393.486 2.510 0 40 GFAB CCN(CC)c1ncc(Cl)c(C(=O)NCc2ncc(C)c(OC)c2C)n1 50447533 GFSSWXGVIBDUJR-UHFFFAOYSA-N 377.876 2.927 0 40 GFAB Cc1cc(=O)oc2ccn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c12 1547208780 JVRHBVFKOGOUTI-UHFFFAOYSA-N 394.305 2.800 0 40 GFAB COc1ccc(C2(NC(=O)Cc3nc4nc(C)cc(O)n4n3)CCCCC2)cc1 12143158 DZWVCQFOWRDHRY-UHFFFAOYSA-N 395.463 2.665 0 40 GFAB Cc1cccc(C2(O)CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CC2)c1 12147515 OELAJBCKTMRDQC-UHFFFAOYSA-N 393.491 2.859 0 40 GFAB CSc1nc(C)c(CC(=O)N[C@H](C)c2nc(-c3ccccc3C)no2)c(=O)[nH]1 12201239 SXNWICMKTXOOCV-GFCCVEGCSA-N 399.476 2.579 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)Cc3ccc(OC)cc3)cc2n1 12276515 ORZMBXVVZPKUPU-SFHVURJKSA-N 380.448 2.912 0 40 GFAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)c3cncnc3C)n2)cc1 19211158 HHBFYTBYWNCVEA-UHFFFAOYSA-N 388.474 2.776 0 40 GFAB CCc1nn2c(O)cc(Cn3cccn3)nc2c1-c1ccc(OC)c(OC)c1 19521400 CQIXIRRIJRKEJF-UHFFFAOYSA-N 379.420 2.926 0 40 GFAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)C(C)(C)O)C2)n1 19694206 BYJXKTITJZOXGC-AWEZNQCLSA-N 386.471 2.826 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cn1 19701994 DNBNRCRIHPOKTO-ZDUSSCGKSA-N 395.488 2.726 0 40 GFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2C(=O)c2ccccc2)n1 19709750 YNKCSFOLGCOECQ-GOSISDBHSA-N 381.480 2.864 0 40 GFAB CCN(CCO)C(=O)CN1CCCCCCCN(C(C)=O)c2ccccc2C1 643575491 JMKBQIPHENGPJI-UHFFFAOYSA-N 389.540 2.646 0 40 GFAB Cc1nc(C2CC2)nc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)c1C 1888914250 LQTXZAOUUOIHOA-UHFFFAOYSA-N 379.468 2.933 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)c1 28199466 QXVZNNWUWGXREP-KHYOSLBOSA-N 376.497 2.963 0 40 GFAB O=C(CN1CCC[C@@](O)(COc2ccccc2)CC1)NCCc1ccccc1 2037915979 FOFCWGUVFSSKME-QHCPKHFHSA-N 382.504 2.641 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)/C=C\c3ccc(OC)c(OC)c3)CC2=O)c1 4497112 JPXCYANODPUTNO-YHWKNFMLSA-N 396.443 2.647 0 40 GFAB COc1ccc(N2C[C@H](CNC(=O)Nc3cc(OC)cc(OC)c3)CC2=O)cc1 9039361 SOKSSAMENDCKFH-AWEZNQCLSA-N 399.447 2.887 0 40 GFAB COc1cccc(CN2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 2055835336 BPRUPNKFMKBDTC-OAQYLSRUSA-N 380.448 2.840 0 40 GFAB Cn1/c(=N/C(=O)CSCC(=O)N2CCc3ccccc32)sc2ccccc21 100706046 LNPZNFAARXUZKE-MRCUWXFGSA-N 397.525 2.990 0 40 GFAB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1[C@H]2C=CC[C@H]1CC2 208017733 TWDPSTFLMMPAOR-RYUDHWBXSA-N 389.304 2.981 0 40 GFAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1F 35598312 MWMBLRYDQLELCQ-UHFFFAOYSA-N 385.418 2.597 0 40 GFAB Cn1ccc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)n1 575615253 BOYHDOIYVLOOKT-LSDHHAIUSA-N 386.883 2.833 0 40 GFAB COc1ccc(N2C[C@H](c3noc(-c4ccc5c(c4)OCO5)n3)CC2=O)cc1 44417564 WWONMXMNFVYXTO-CYBMUJFWSA-N 379.372 2.994 0 40 GFAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 30038832 LNNFRBFWNWNBOG-JTQLQIEISA-N 382.392 2.630 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 40090094 UDPPAXVYRNDTQZ-INIZCTEOSA-N 388.489 2.880 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 40145116 CXBIEPCGHQVBIS-HNNXBMFYSA-N 389.521 2.504 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 40117507 RJGDABLUPJEITG-SJLPKXTDSA-N 382.501 2.845 0 40 GFAB O=C(CSC(c1ccccc1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 36725351 DQDHBDVPTYUYQZ-KRWDZBQOSA-N 375.515 2.813 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 15610996 NKKJYPIRXDCMAT-UHFFFAOYSA-N 396.415 2.750 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccco2)C2CC2)c1 29010533 PRHAACHWZQCBHZ-UHFFFAOYSA-N 382.869 2.988 0 40 GFAB COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 1330682 OZIVVZDELNDUSI-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB COc1cc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)ccn1 29195556 BCWXRWSBDWQZOW-UHFFFAOYSA-N 398.488 2.826 0 40 GFAB O=c1[nH]c(=S)n(Cc2cccnc2)c2c1CN(CCc1ccccc1)CN2 20567428 LFIVASMOONBGPM-UHFFFAOYSA-N 379.489 2.777 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 8036601 WLVHEAGNCMKZKD-INIZCTEOSA-N 396.443 2.847 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1Br 103066458 QUBHBWIXAZZCTJ-UBHSHLNASA-N 391.265 2.578 0 40 GFAB NS(=O)(=O)Nc1cccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 32754039 ILOPZDHCHUMXJR-UHFFFAOYSA-N 395.484 2.828 0 40 GFAB O=c1[nH]c(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc2ccccc12 32825262 PWWAKLDQLDSNDP-OAHLLOKOSA-N 378.480 2.621 0 40 GFAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)COc1ccccc1F 32915987 MTRQYWOVFGRYRM-SFHVURJKSA-N 385.483 2.922 0 40 GFAB Cc1ccc(N2N=C(C(=O)NCCCSc3ccccc3)NCC2=O)cc1 32981608 OZUPYNFYAPUDLU-UHFFFAOYSA-N 382.489 2.543 0 40 GFAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 106743649 FLXAWBWGFFGWFL-GHXNOFRVSA-N 387.360 2.896 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1 643627 UMYYEWVINKUWGM-UHFFFAOYSA-N 378.322 2.838 0 40 GFAB O=C(NC(C1CC1)C1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 22385482 SVQUAHLOCHCAHY-HNNXBMFYSA-N 380.485 2.531 0 40 GFAB COc1ccccc1CNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12328820 QSRUUAAKUCUPQJ-GOSISDBHSA-N 381.476 2.662 0 40 GFAB O=C(NCc1cc(Br)cs1)c1cccc(N2CCNC2=O)c1 53968921 JIVTVRAYTOOTJD-UHFFFAOYSA-N 380.267 2.970 0 40 GFAB CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCN(C2CCCCC2)CC1 22584590 DYPHMVSEMUELLT-LJQANCHMSA-N 383.544 2.863 0 40 GFAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(C(F)(F)F)c2)c1 102014583 ZRRYLPVTISPRSX-YHUYYLMFSA-N 391.349 2.617 0 40 GFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(CN2CCCC2=O)cc1 8401358 GDGPQVUDWJFFOK-UHFFFAOYSA-N 393.443 2.699 0 40 GFAB CC(C)CN(C(=O)CC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23075105 JYWBGGNVCUDYQZ-UHFFFAOYSA-N 398.507 2.736 0 40 GFAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccc2c(c1)CCC2 43389327 NWLKVSBZTCKADV-UHFFFAOYSA-N 385.489 2.689 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1 12516921 XNLUQKRWDSGBST-UHFFFAOYSA-N 385.489 2.712 0 40 GFAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 25106422 CTFGWXQTWLEUJS-UHFFFAOYSA-N 391.475 2.727 0 40 GFAB CC(C)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 22988077 SJXQDJPNAQRAOG-AWEZNQCLSA-N 392.315 2.951 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@@H](c1ccccc1)c1n[nH]c(C)n1)c1ccc(C)cc1 57890328 IPBGBBMJVHXWGW-CTNGQTDRSA-N 391.475 2.895 0 40 GFAB COc1ccc(C(C)=O)cc1CSCC(=O)N1CCN(c2ccccn2)CC1 12697153 XQQPOGLHZYAZPH-UHFFFAOYSA-N 399.516 2.875 0 40 GFAB Cn1cnnc1-c1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 58169343 ZIXUWCSSMHVECL-ROUUACIJSA-N 385.468 2.674 0 40 GFAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCOc3cccc4ccccc34)cc21 58201116 PZAWOJSSNPQHGS-UHFFFAOYSA-N 376.412 2.856 0 40 GFAB CN1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 58391697 WRVRZOKHIWKINB-UHFFFAOYSA-N 393.329 2.688 0 40 GFAB COc1ccc(CN(C)C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1F 58402603 UPAYTHQVUYIOGH-AWEZNQCLSA-N 386.423 2.997 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 3322217 LVFKUJGJXWMUHH-JOCHJYFZSA-N 391.427 2.611 0 40 GFAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(Cn2cccn2)cc1 10765540 ABKSGJZSNOQPBL-UHFFFAOYSA-N 377.444 2.952 0 40 GFAB Cc1nc2ccc(NC(=O)NCCCn3nc4n(c3=O)CCCC4)cc2s1 48280044 VLLRSDJNTAZCDA-UHFFFAOYSA-N 386.481 2.511 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1OC 3472475 WZZLEWFFVXHNBU-UHFFFAOYSA-N 383.356 2.606 0 40 GFAB CCn1nc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c2ccccc2c1=O 16000244 POAKWDKRILANSU-UHFFFAOYSA-N 392.459 2.744 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12949634 VPQHZQYNZNLYIG-UHFFFAOYSA-N 390.443 2.735 0 40 GFAB Cc1cc(NC(=O)COc2cccc(-n3cnnn3)c2)ccc1Br 3606431 FTTIBAUJAANKPA-UHFFFAOYSA-N 388.225 2.751 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 13014025 APMDRLJEIVBDRC-ZDUSSCGKSA-N 383.835 2.786 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1OC 408698318 PCRNWHUPQJESNV-UHFFFAOYSA-N 392.433 2.616 0 40 GFAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4086251 GFQDWFQULTXWLV-JJRVBVJISA-N 376.478 2.651 0 40 GFAB biogenic COC(=O)N(C)c1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1 65563550 BJJRXXRUECYUTJ-GOSISDBHSA-N 396.447 2.984 0 40 GFAB C[C@@H]1CCc2sc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2C1 5773214 NVIYTCQGYIESEG-LLVKDONJSA-N 376.434 2.649 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCCCn2c(=O)[nH]c3ccccc32)c1C 14903867 BUXSOTGIAQCUHY-UHFFFAOYSA-N 385.420 2.698 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nnc(C)o2)sc(C(C)=O)c1C 4998595 MDIGEYMCDIKMML-UHFFFAOYSA-N 383.451 2.858 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccnc1SC 5937429 BZXCLIIJVOACLP-UHFFFAOYSA-N 376.434 2.965 0 40 GFAB COc1cccc(-c2nnn(CC(=O)N(Cc3ccccc3F)C3CC3)n2)c1 7022166 GNZBCTNMGNXTLB-UHFFFAOYSA-N 381.411 2.679 0 40 GFAB O=C1CCCC[C@@H]1Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1 7067812 MSLUKIUBQZRTSV-INIZCTEOSA-N 376.457 2.847 0 40 GFAB COC(=O)C1CCN(C(=O)COC(=O)CCCSc2ccccc2)CC1 7158048 WQBABKAJDLSPMQ-UHFFFAOYSA-N 379.478 2.514 0 40 GFAB COC(=O)C[C@H](NC(=O)COc1cccc(F)c1)c1ccc(OC)c(OC)c1 8884307 CIGQZFXQMJPTFG-INIZCTEOSA-N 391.395 2.642 0 40 GFAB CC(C)N(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(C)C 9190780 DWSMZPBMKFGSAD-UHFFFAOYSA-N 391.331 2.715 0 40 GFAB CCn1cnnc1C1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 95417379 VKZRRIKXRVFVCJ-UHFFFAOYSA-N 395.551 2.959 0 40 GFAB C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 95947232 CAJNCSZUPJDDNA-AWEZNQCLSA-N 382.416 2.798 0 40 GFAB O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ncoc1-c1ccco1 95959721 BREUFPHEMRAYOC-UHFFFAOYSA-N 391.380 2.866 0 40 GFAB Cc1ccnc([C@H](NC(=O)c2cc(I)c[nH]2)C2CC2)n1 95979734 RLAXNCLQCSTDEZ-GFCCVEGCSA-N 382.205 2.599 0 40 GFAB CC(C)(C)NC(=O)CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9918321 KJMOWONOXNRTIZ-UHFFFAOYSA-N 380.448 2.558 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(CC)cc2)cc1 408590356 GHPRUZDPJVKXJT-CQSZACIVSA-N 376.478 2.953 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1OC(F)F 32905774 RCXMZGLSEQBDKB-LBPRGKRZSA-N 394.374 2.819 0 40 GFAB O=C1CN(C(=O)c2cc(Br)cc3nc[nH]c23)CN1Cc1ccccc1 503524873 VECADCCZXKIDAT-UHFFFAOYSA-N 399.248 2.768 0 40 GFAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 71768459 JNTAPOWCFUJREB-UHFFFAOYSA-N 378.392 2.793 0 40 GFAB CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 72346252 HHOMLTGPCQIOKJ-KRWDZBQOSA-N 397.498 2.913 0 40 GFAB Cc1cc(C(=O)N2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)c(C)o1 77100577 IRBXRIRAVDTQFW-INIZCTEOSA-N 380.448 2.801 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218659492 LAVGVDDIQPWLTO-SOLBZPMBSA-N 379.865 2.624 0 40 GFAB CC(C)(C)OC(=O)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 32101200 IVVQDXBEBLKNIC-OAHLLOKOSA-N 392.761 2.869 0 40 GFAB COc1cc2c(cc1OC)[C@@H](CCc1c(C)noc1C)N(S(C)(=O)=O)CC2 72342722 HEJJVOIRWFSRFL-QGZVFWFLSA-N 394.493 2.800 0 40 GFAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)c1 223018421 BVERTADGLJSSJS-GFCCVEGCSA-N 380.441 2.624 0 40 GFAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225104599 OVCHGHHMTGIRCU-UHFFFAOYSA-N 381.425 2.765 0 40 GFAB COc1ccc(-n2ccc(C(=O)NCC3(N(C)C)Cc4ccccc4C3)n2)cc1 525033488 OLSPBIYOAKFWCR-UHFFFAOYSA-N 390.487 2.710 0 40 GFAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCCCc1ccccc1F 227161431 MIRZASMWXIZUKH-UHFFFAOYSA-N 386.402 2.884 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223629413 XCIRRHKHFRSEHO-PMACEKPBSA-N 393.516 2.681 0 40 GFAB Cn1cc(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cn1 575443977 HKDLMSSDJUQOOX-QGZVFWFLSA-N 397.479 2.986 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223196100 TZOHABNAHYEQAO-LJQANCHMSA-N 388.439 2.767 0 40 GFAB COc1ccc2cc(C(=O)N3CCC[C@@H](Oc4nccnc4OC)C3)[nH]c2c1 225494563 ZXOMTJJSPFRFKI-OAHLLOKOSA-N 382.420 2.659 0 40 GFAB Cc1cccc(S(=O)(=O)NCCC(=O)NCc2ccnc(-c3ccco3)c2)c1 225655519 ONZVRCHKZXLVGZ-UHFFFAOYSA-N 399.472 2.635 0 40 GFAB Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)cc1 96077305 MNIXQINNCSYPLY-OAQYLSRUSA-N 383.517 2.549 0 40 GFAB Cc1noc(C)c1C(=O)N1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1 96254258 JJUDIGFDTSLBSY-UHFFFAOYSA-N 384.484 2.700 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)Nc1ccccc1F)C2 96237799 VCZVUIRJZHXWKD-OAQYLSRUSA-N 382.439 2.781 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc21 249702106 YXWBTORVCOWFHJ-SDDRHHMPSA-N 384.885 2.982 0 40 GFAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(Cc3scnc3C)CC2)C1 248034230 MWZXIIGCMZXUCI-GOSISDBHSA-N 377.554 2.939 0 40 GFAB COCC(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257310338 UERBNUFNLGFTJE-YJBOKZPZSA-N 384.398 2.834 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CC[C@@H](n4cc(CN)nn4)C3)sc2C)cc1 638900427 GQUAJYQZIUMAJI-MRXNPFEDSA-N 397.504 2.870 0 40 GFAB O=C(O)c1cn([C@H]2CCCN(C(=O)Cc3coc4cc5c(cc34)CCC5)C2)nn1 649254878 OMJXMOYPPVDINQ-INIZCTEOSA-N 394.431 2.617 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CCC(O)CC1)C2 585104491 PFNUVTCXBJHFRF-HXUWFJFHSA-N 386.536 2.717 0 40 GFAB O=C(CSCc1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 90609094 ZWXQVINHBGLJTK-SFHVURJKSA-N 380.579 2.586 0 40 GFAB CC(C)[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 5405859 BKLSHMGOIYLJAK-IBGZPJMESA-N 393.443 2.832 0 40 GFAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 11508542 JGJAWIKSDGUKOW-IBGZPJMESA-N 398.507 2.603 0 40 GFAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)c1 18066597 FXPLMNJEUBHHPG-INIZCTEOSA-N 377.404 2.784 0 40 GFAB CCCOc1ccc(N2C(=O)C[C@H](n3c(CO)nc4ccccc43)C2=O)cc1 18085021 GBNJWOOEPGLAEV-SFHVURJKSA-N 379.416 2.822 0 40 GFAB Cc1cc2nccc([C@@H]3CCCCN3C(=O)c3n[nH]c(=O)c4ccccc34)n2n1 19130648 VNPKRUFOXGJGIP-INIZCTEOSA-N 388.431 2.642 0 40 GFAB Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)CCc4ccccc4F)C3)o2)cn1 19239151 REQBBNGMITWTPH-OAHLLOKOSA-N 381.411 2.923 0 40 GFAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CCCn1cncn1 19589072 WQENQRUERBYBNF-VWPQPMDRSA-N 381.524 2.927 0 40 GFAB CCCc1nnc(S/C(=C\c2ccccc2OCC(=O)OCC)C(=O)O)[nH]1 7342323 YAZLGORXCNXDCG-UVTDQMKNSA-N 391.449 2.917 0 40 GFAB COC(=O)Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1 522225858 RQGNFZREOUECMJ-UHFFFAOYSA-N 385.445 2.697 0 40 GFAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)n1 12187062 SAROLMPWRUQZNZ-AWEZNQCLSA-N 394.479 2.987 0 40 GFAB CCOc1ccc(-c2nnc3ccc(SCC(=O)N4CCCC4)nn23)cc1 4165037 JPWBVGAWPORCQG-UHFFFAOYSA-N 383.477 2.905 0 40 GFAB Cc1cccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1 4250549 SZBDDSGLNOREJZ-UHFFFAOYSA-N 399.454 2.804 0 40 GFAB Cn1cnnc1SCc1cc(=O)c(OC(=O)c2ccc(Cl)cc2)co1 4518867 MTBDTVIZYYKZTL-UHFFFAOYSA-N 377.809 2.933 0 40 GFAB COc1nn(C)cc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 21011234 LEAOVGZFSJHOGK-UHFFFAOYSA-N 379.442 2.964 0 40 GFAB CSCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(C)(=O)=O)ccc21 101119431 AHAVTGNPDCSKOD-ICFOKQHNSA-N 386.564 2.943 0 40 GFAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220762597 YJMGQUNKLIOZGK-MRXNPFEDSA-N 396.491 2.879 0 40 GFAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccc(C3CC3)nn2)CC1 575619857 MVBWLCSLPVPBLJ-UHFFFAOYSA-N 377.370 2.730 0 40 GFAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCn1cccn1 40072024 SWTMQDHPDUBIRN-KRWDZBQOSA-N 376.888 2.888 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)NCCNc1ncc(Cl)cc1Cl 40154661 MTMOCBVDLIFNFH-UHFFFAOYSA-N 394.324 2.664 0 40 GFAB COc1ccccc1NC(=O)N[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 20112834 HHGOVTOPVKVQTB-IBGZPJMESA-N 385.420 2.741 0 40 GFAB biogenic CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCC3)cc2c1 782694 RLZMTSDPSCPAPV-GOSISDBHSA-N 396.495 2.854 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(=O)C1CC1 1324362 CTFRSVCUPBRNBD-UHFFFAOYSA-N 394.424 2.992 0 40 GFAB Cc1nn2c(=O)c3c(cc(C)n3CC(=O)Nc3cc(F)ccc3F)nc2s1 51357386 RMIOTIRHFNLGBK-UHFFFAOYSA-N 389.387 2.639 0 40 GFAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cnc21 32098034 NIXZOCMQHVWSOY-UHFFFAOYSA-N 399.476 2.940 0 40 GFAB COCCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCC1)c1cccs1 4861482 SLHQQVDPJBSJLT-ZDUSSCGKSA-N 378.416 2.885 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)cc1 6818284 QPRYHFAQMZGDIZ-UHFFFAOYSA-N 388.474 2.924 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361851 ZQNUFJCYHBGBRI-UHFFFAOYSA-N 392.477 2.709 0 40 GFAB Cc1cc(N2CCN([C@H](C)c3nc(Cc4ccccc4)no3)CC2)nc(C)n1 32825086 RPVRUSWTQKCTER-MRXNPFEDSA-N 378.480 2.950 0 40 GFAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 10296168 KPTAFNDAPDYQSX-AWEZNQCLSA-N 390.461 2.575 0 40 GFAB O=C(CN1CCCC1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 32904610 FIQAEQLDNIRAEX-UHFFFAOYSA-N 388.471 2.837 0 40 GFAB Cc1cc(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c(C)cc(=O)oc2c1 100767871 WKVKJOYONAXNFU-GASCZTMLSA-N 387.432 2.796 0 40 GFAB Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br 832742 HAYXTUGXIURYBK-UHFFFAOYSA-N 381.089 2.925 0 40 GFAB C[C@H]1C(=O)N(CN2CCN(Cc3cccs3)CC2)C(=O)N1c1ccccc1 23255670 HKWRRMXCDLQEKE-INIZCTEOSA-N 384.505 2.681 0 40 GFAB CCCn1nc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)ccc1=O 42730977 AGBKXIOSIMGEEP-UHFFFAOYSA-N 397.454 2.887 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H](CCC(=O)c2ccc(Cl)cc2)C(N)=O)cc1 1393231 VUBYHYLOASOACW-KRWDZBQOSA-N 379.865 2.939 0 40 GFAB COC(=O)[C@H]1Cc2cc(OC)c(OC)cc2C(Cc2ccc(OC)c(OC)c2)=N1 1460484 XHQJZJDCMCVSMH-QGZVFWFLSA-N 399.443 2.851 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1C 20674056 GIBAFJIDFZUBKV-HNNXBMFYSA-N 394.479 2.730 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2cccs2)NC(=O)N3C)cc1 35590349 KNSOBKGTIOHZTF-SFHVURJKSA-N 383.473 2.792 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1cc(OC)ccc1OC 3302040 LRKNOEQVGFABNB-DHZHZOJOSA-N 399.399 2.686 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)NCC(C)(C)c2ccccc2F)no1 58172132 BXIDGSIBFHDYRA-UHFFFAOYSA-N 379.457 2.888 0 40 GFAB FC(F)(F)c1nnc2ccc(N[C@@H](CN3CCOCC3)c3ccccc3)nn12 12752232 CCVHTZVKSCIVRD-AWEZNQCLSA-N 392.385 2.629 0 40 GFAB CCCCCNC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 12708099 LODJSMSPZXZHBO-UHFFFAOYSA-N 388.537 2.861 0 40 GFAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 36397575 ACHCKGVZQOFMHP-FQEVSTJZSA-N 395.434 2.870 0 40 GFAB O=C(C[S@@](=O)CCOc1ccccc1F)Nc1ccc2c(c1)OCCCO2 12857752 KXTRHNTXABUKJO-HHHXNRCGSA-N 393.436 2.753 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C 28577683 UDYUWGDYNCYQCC-UHFFFAOYSA-N 382.917 2.684 0 40 GFAB CC(CNC(=O)Cn1nc2ccccn2c1=O)(c1ccccc1)c1ccccc1 12817149 PYCPBTSSEZVHLN-UHFFFAOYSA-N 386.455 2.618 0 40 GFAB CC1CCN(Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)CC1 12926303 ORIBXLGWCDXWDP-UHFFFAOYSA-N 390.484 2.883 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCCC1 6050725 KTHZFCSGNMHTFH-UHFFFAOYSA-N 387.933 2.793 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 14014655 BNZHLGHMZMBHAS-UHFFFAOYSA-N 392.387 2.824 0 40 GFAB CCCOc1ccccc1OCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 14198641 ZWMJBYZSKGSRIS-UHFFFAOYSA-N 384.480 2.640 0 40 GFAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C 4512235 LTAQTXWISYBHFG-QZTJIDSGSA-N 392.521 2.884 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 5450229 HNVKPLDWELVGDU-QGZVFWFLSA-N 392.820 2.780 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)NC1=S 409212251 OGUFMGJUCWBRNS-BOPFTXTBSA-N 396.468 2.805 0 40 GFAB Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(O)cc2)c(=O)o1 16756419 PPOXXIQRXFVJMZ-UHFFFAOYSA-N 384.384 2.896 0 40 GFAB COC(=O)c1cc(NC(=O)COc2ccc(C)cc2C)ccc1N1CCOCC1 4711512 BYEOYOOMNFKTMO-UHFFFAOYSA-N 398.459 2.944 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1C 4813777 FXJIOKWDTDTGCR-UHFFFAOYSA-N 382.526 2.663 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 4863144 IPNTUDDADOYJGS-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1 23107877 PDGVDMBXASMUMX-OAHLLOKOSA-N 386.926 2.753 0 40 GFAB CCn1c2ccccc2c2nnc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc21 17952311 QVNIDUGKRZTRSB-BETUJISGSA-N 385.493 2.727 0 40 GFAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)NC(=O)NC1CCCCC1 8747652 JCMLZTMTRLNNHA-LBPRGKRZSA-N 376.457 2.613 0 40 GFAB CC[C@@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c1 89942784 PTJNSSCBYWJWPA-QAPCUYQASA-N 377.510 2.816 0 40 GFAB COc1ccc(CNC2=N[C@@H]([C@@H]3CC=CCC3)n3c(nc(C)cc3=O)N2)cc1 9426314 IVIIJBQRVGWIQK-VQIMIIECSA-N 379.464 2.987 0 40 GFAB C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC12CCC2 95458070 VXCYFXLBGLFPIG-YWZLYKJASA-N 395.503 2.501 0 40 GFAB COC(=O)Cn1cc([C@H](C)OC(=O)c2nc(C)sc2-c2ccccc2)nn1 95468033 SWYRDGSYGZAPBD-NSHDSACASA-N 386.433 2.801 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)n(C)n1 9937456 FECNUWDQRCPCCN-UHFFFAOYSA-N 387.367 2.835 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)Nc1ccc2c(c1)OCCO2 409205733 FKEDMPUNJCNCRB-YBEGLDIGSA-N 397.412 2.528 0 40 GFAB COC(=O)c1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1 1321215 VDLXHSCRQDUYQM-UHFFFAOYSA-N 378.384 2.692 0 40 GFAB biogenic Cc1cc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n2ncnc2n1 35313631 XQOZFUXBJVFOLA-UHFFFAOYSA-N 376.464 2.777 0 40 GFAB Cc1nc(C[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc(Nc2ncc(C)s2)n1 72382941 YPFNREGDSAPTCX-CQSZACIVSA-N 388.541 2.812 0 40 GFAB COc1cccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)[nH]n2)c1 38490011 ZSYDXUJUQQCHLR-GOEBONIOSA-N 390.443 2.507 0 40 GFAB Cn1c(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc2ccccc21 44443769 PLYUYEGYCABBNV-UHFFFAOYSA-N 379.420 2.656 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 224722775 GXFVMMNZOAKCFZ-DTDBQYNISA-N 380.510 2.545 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222997600 JUHOUEKFSHQQOD-MOPGFXCFSA-N 379.489 2.886 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1C 223793424 UVFGLBCORGJXAE-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB CC(C)c1ccc([C@@H](C)NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)cc1 41070462 WXUOMWSRDSPCRV-CYBMUJFWSA-N 375.494 2.505 0 40 GFAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 96079504 CHUZRFGBJGOXLI-IBGZPJMESA-N 397.563 2.902 0 40 GFAB CC(=O)NCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1596709518 KBMBPRDDJHPTMY-SNRMKQJTSA-N 382.512 2.881 0 40 GFAB COc1ccccc1N1CCC(NC(=O)[C@]2(O)CCc3ccccc3C2)CC1 585080920 TZCYKNRBBLUQSP-QHCPKHFHSA-N 380.488 2.700 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257282834 OVMKWJMXIAJFLY-MRXNPFEDSA-N 385.439 2.733 0 40 GFAB COc1cccc(C(=O)N2CCC[C@H]2c2cncc(Nc3cnccn3)n2)c1 257249594 JIZWZTHTSQEFNE-KRWDZBQOSA-N 376.420 2.996 0 40 GFAB COCCOCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(OC)cc3)o2)C1 257224854 FDRQQYPUJLGTKE-KRWDZBQOSA-N 388.464 2.643 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@H](CC(=O)O)c3ccccc3)c(O)nc2C1 263116043 CFTNCFJPVRPMRQ-OAHLLOKOSA-N 382.416 2.888 0 40 GFAB O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 618455251 HIJXBURSPGIMIR-SVFBPWRDSA-N 384.520 2.792 0 40 GFAB Cn1cc([C@H]2CN(Cc3csc(-c4cccc(C(=O)O)c4)n3)CCO2)cn1 652426154 JNJREQZGPXNBDD-QGZVFWFLSA-N 384.461 2.815 0 40 GFAB Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc21 96096497 AUJONCJCJFAOPQ-KRWDZBQOSA-N 382.844 2.983 0 40 GFAB O=C(C1=Cc2ccccc2OC1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414992 WNBJLSRULQWFET-GOSISDBHSA-N 389.498 2.912 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1ccccc1OC 585168575 FRHGGNKLIGFNGX-KNQAVFIVSA-N 396.487 2.590 0 40 GFAB CCN1CCN(C(=O)CO)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172766 RTWJRQALFLVGOK-FQEVSTJZSA-N 380.488 2.504 0 40 GFAB O=C(N[C@H]1CCCCNC1=O)c1c(-n2cccc2)sc2c1CCSC2 47172738 XLTUNVBOQRBTJN-ZDUSSCGKSA-N 375.519 2.727 0 40 GFAB CC(=O)N1CC2(CCN(c3cncc(-c4ccccc4)n3)CC2)[C@H]2COC[C@H]21 1615588715 GYVANIOTPVYDQS-AZUAARDMSA-N 378.476 2.607 0 40 GFAB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(N)=O 8110754 PPILUQUNSPXMON-NTUHNPAUSA-N 385.807 2.758 0 40 GFAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccc2c(c1)OCO2 12276257 YCQQNIJQOTWILN-CQSZACIVSA-N 397.456 2.909 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccccc2)cc1 13688578 RMUHWOAGYDYJHA-UHFFFAOYSA-N 378.519 2.524 0 40 GFAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccccc1)S(C)(=O)=O 13711791 LZWBHFMKXOKRPE-QGZVFWFLSA-N 390.461 2.657 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 19288970 WPPKLTOZBZDYSD-QGZVFWFLSA-N 379.508 2.919 0 40 GFAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C 19691213 KAHQGHLLOCPHCN-SFHVURJKSA-N 386.492 2.812 0 40 GFAB Nc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)C4CCC4)CC3)nc2n1 19743257 GNBVNLJZPPKMAJ-UHFFFAOYSA-N 394.401 2.714 0 40 GFAB CC[C@H](C)NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19499964 WMHYULQXEIAQIQ-ZDUSSCGKSA-N 380.872 2.639 0 40 GFAB O=C(CCc1ccccc1Br)N[C@H]1CCN(C2CCOCC2)C1 1888864168 FIYZPRNQEYAATG-HNNXBMFYSA-N 381.314 2.751 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)nc2ccccc21 1888890897 SCATZLABKJXHDO-IYBDPMFKSA-N 378.480 2.559 0 40 GFAB CC1CCC(NC(=O)CCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1 2975368 AJGDLNBRYNTJLD-UHFFFAOYSA-N 389.477 2.873 0 40 GFAB Cn1c(=O)c2c(SC3CCCC3)nc(-c3ccccc3F)nc2n(C)c1=O 4341374 XHKISGQNSSZNAJ-UHFFFAOYSA-N 386.452 2.868 0 40 GFAB CCOC(=O)c1cn(CC(=O)Nc2ccccc2F)c2nc(C)ccc2c1=O 20986375 XUHGVNPCJNORHU-UHFFFAOYSA-N 383.379 2.659 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1cn(-c2ccsc2)nn1 575618866 QDLXAKYHUSUNLZ-UHFFFAOYSA-N 382.424 2.798 0 40 GFAB CCOC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)C1 73044979 DMFMAJNAXQGBIS-ZWKOTPCHSA-N 375.513 2.980 0 40 GFAB COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1OCc1ccncc1 40090353 KDZSRVKZZSIKIC-UHFFFAOYSA-N 383.448 2.866 0 40 GFAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 40087842 BUGGEEZAWAFXAQ-MOTZXUDYSA-N 376.884 2.887 0 40 GFAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccc(N2CCOCC2)cc1 7304930 CVGLTBKNPCSRRV-UHFFFAOYSA-N 391.522 2.680 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11162141 FEROIARGPXISRL-UHFFFAOYSA-N 383.473 2.751 0 40 GFAB COc1ccccc1-n1cnc2cc(C(=O)NCc3cccnc3)ccc2c1=O 31818812 OCOJTZCIHGAODU-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB CC(C)OC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 4043492 GOUMLHLYFWBNID-BASYENTBSA-N 392.249 2.687 0 40 GFAB biogenic COC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101112300 JIOWDABCXAKUTG-RDJZCZTQSA-N 397.818 2.556 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 4909597 ZDUBXYWJPWXEQL-UHFFFAOYSA-N 395.459 2.557 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)ccc21 6535256 KLNQCBNXSRUJNR-ZIAGYGMSSA-N 385.464 2.671 0 40 GFAB CCOc1ccccc1C(=O)N(Cc1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 6810379 NEPDUDJDFCOECF-HNNXBMFYSA-N 377.462 2.816 0 40 GFAB CCn1nc(Br)cc1C(=O)N1CCN(Cc2ccccc2C)CC1 32604846 XTZXECFLTZNYTR-UHFFFAOYSA-N 391.313 2.932 0 40 GFAB C/C(=C/C(=O)O)C(=O)Nc1cccc2c(NC(=O)/C(C)=C\C(=O)O)cccc12 8649748 HNFHTVOEORASEX-HWAYABPNSA-N 382.372 2.779 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CSc2ncn(-c3ccccc3)n2)c1C 11941207 JHKKNBBTKQOHIX-UHFFFAOYSA-N 395.488 2.731 0 40 GFAB CCOc1ccc(-c2nnc(S)n2CC(=O)NCc2nc(C)cs2)cc1 32882237 YRAZPVWTGWKECI-UHFFFAOYSA-N 389.506 2.714 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 17212667 BIJSBAKEYNMIRX-AWEZNQCLSA-N 375.446 2.689 0 40 GFAB CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Br)cc1 32919228 ZRJWFAIGZDFWKC-ZDUSSCGKSA-N 378.288 2.705 0 40 GFAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 21944908 YVJLBFGEHZJGBL-UHFFFAOYSA-N 382.416 2.790 0 40 GFAB Cc1cccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c1 886723 FUIKUHNKEDUCOZ-UHFFFAOYSA-N 395.484 2.902 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCNC(=O)c1ccsc1 23326079 NMVKLWRJXBQWDR-UHFFFAOYSA-N 376.478 2.934 0 40 GFAB O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1 1013313 HKWFJJYHZJQCDW-UHFFFAOYSA-N 383.477 2.940 0 40 GFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 23763587 IHUQXRBUWLWCNS-NRFANRHFSA-N 393.487 2.617 0 40 GFAB COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(C)cc3C)C2=O)c1 24087115 WYQHRXYBYDUMFB-VGOFRKELSA-N 398.459 2.519 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1nnc(Cc2ccccc2)s1 26363227 VALOPNANHHYNTN-UHFFFAOYSA-N 394.456 2.883 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 24726504 FMKFEFOTFKQOQB-DOTOQJQBSA-N 375.469 2.634 0 40 GFAB C[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1 25636774 KUIGVGHYFUKDIP-KRWDZBQOSA-N 377.488 2.990 0 40 GFAB CN(CCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CCc1ccccn1 12632767 BBEFGMSYRQZPKX-UHFFFAOYSA-N 384.524 2.741 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 8587379 CCEYQPYOCJINGS-UHFFFAOYSA-N 386.517 2.853 0 40 GFAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1 58007765 OVJROBMZMSOYRR-ICSRJNTNSA-N 382.460 2.596 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 27566924 HIUOLUYYYQMFSS-HNNXBMFYSA-N 382.489 2.704 0 40 GFAB Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4)n3N)nc2n1 2182118 QFPPUHDDJYWAGU-UHFFFAOYSA-N 398.521 2.631 0 40 GFAB CC(C)Oc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)NCCO)cc1 2253017 MPWMYSSWWXBHAV-AEWULRIBSA-N 394.471 2.753 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 36384081 SEIMMKPYYSVARD-DOMZBBRYSA-N 398.381 2.612 0 40 GFAB Cc1cc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c2ccc(F)cc2n1 48368127 INGSMIBBMHVICR-UHFFFAOYSA-N 393.466 2.759 0 40 GFAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1cn2cc(Cl)ccc2n1 7674208 ZJOYYWSSYXJCIC-UHFFFAOYSA-N 392.916 2.945 0 40 GFAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(OC[C@H]2CCCO2)cc1 3508986 XNCXGUWICDPUHY-QGZVFWFLSA-N 395.411 2.697 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 3585612 HWCTZEOTEPWEAM-UHFFFAOYSA-N 399.491 2.611 0 40 GFAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C 49550432 GFKYZAZBZIMRTN-GOSISDBHSA-N 385.512 2.514 0 40 GFAB COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1 4165193 MGVMMKDTHQONIS-QGZVFWFLSA-N 390.461 2.823 0 40 GFAB COc1ccc(-c2nc(C)c3c(N)c(C(=O)N4CCOCC4)sc3n2)cc1 13628540 QHKZIGBCEJHZDD-UHFFFAOYSA-N 384.461 2.730 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NCCc1c[nH]c2ccc(F)cc12 13623896 XHYUPRJWWXUIRQ-UHFFFAOYSA-N 378.407 2.766 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccs2)N1Cc1ccncc1 13691026 XAQAWWYPSZJMHM-PKOBYXMFSA-N 386.498 2.992 0 40 GFAB C[C@@H](CN(C)C)OC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5047099 XBEBFVHOYXMEKW-LZNAANCOSA-N 396.443 2.680 0 40 GFAB O=C(CSc1nc2ccccc2o1)OCCN1C(=O)c2ccccc2C1=O 5212259 RJBURNHESMQJHL-UHFFFAOYSA-N 382.397 2.759 0 40 GFAB CCN(c1ccc(C(=O)NCc2ccc(OC)cc2)cc1)S(=O)(=O)CC 113971729 JKNAWFWNPBAUGU-UHFFFAOYSA-N 376.478 2.801 0 40 GFAB COc1c(C)cnc(CNC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1C 65522139 OQGXMIHOOVXOIN-UHFFFAOYSA-N 389.887 2.683 0 40 GFAB C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC(C)(C)O1 70039891 XWADSBSQWUXNLJ-ZDUSSCGKSA-N 399.468 2.703 0 40 GFAB O=C(OCc1ccc(-c2ccccc2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 14122125 IGQQIFXFAXPYGG-UHFFFAOYSA-N 394.452 2.894 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)C1 4687687 BUTDEHXNUXFIPB-IAGOWNOFSA-N 375.488 2.759 0 40 GFAB Cc1cc(C)c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(Cl)c1 6649647 PBFSHUOQHBGAPY-UHFFFAOYSA-N 385.807 2.989 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 4834698 IFXNLWGISLOJJV-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB CCc1ccc2c(COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc(=O)oc2c1 5876654 IQAZBBSNNZZUTK-MGPUTAFESA-N 387.457 2.853 0 40 GFAB CCOC(=O)c1[nH]c(CSCC(=O)N[C@@H](C)CC)c(C(=O)OCC)c1C 6930898 XEDDUWIHUIPXNQ-NSHDSACASA-N 384.498 2.824 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 9220744 BOCNQYWLGUTABZ-QGZVFWFLSA-N 378.476 2.814 0 40 GFAB Cc1c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)oc2ccc(Br)cc12 84067744 NOBNDDYAUJMUDX-NHYWBVRUSA-N 381.270 2.953 0 40 GFAB CN1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)CC1 72293188 KDXGMOQTONUGEI-UHFFFAOYSA-N 396.894 2.887 0 40 GFAB Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)Nc1ccc2cc[nH]c2c1)C(=O)O 72403828 JMUQWPLTVSWHQZ-MRXNPFEDSA-N 397.479 2.680 0 40 GFAB OCCCN(CCO)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 84425235 LYJNUMZYXSQEGV-UHFFFAOYSA-N 384.505 2.813 0 40 GFAB Cc1cc(NC(=O)CCN2CCN(Cc3cccc4cccnc34)CC2)no1 95349092 YBBXEHNWIUBKPE-UHFFFAOYSA-N 379.464 2.678 0 40 GFAB CCc1noc2ncc(S(=O)(=O)NC[C@@H](C[C@H](C)O)c3ccccc3)cc12 95940993 ISFCRJVWQAKMML-DZGCQCFKSA-N 389.477 2.618 0 40 GFAB C[C@@H](O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)C1 95972456 WPPWGFLPSZVBJU-VXGBXAGGSA-N 383.370 2.830 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 95966253 CVXZTIAATMTVFV-KRWDZBQOSA-N 379.932 2.737 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409393799 YDNMHCWBFGGGMT-INIZCTEOSA-N 390.505 2.767 0 40 GFAB COc1cccc(-c2cc(C(=O)N[C@@H]3CCCN(c4ccc(C)nn4)C3)n[nH]2)c1 532221269 OETDQPZQCYJBFQ-MRXNPFEDSA-N 392.463 2.583 0 40 GFAB COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OC 216488643 QEIIZSHGKGIZTD-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB Cc1cc(NC(=O)c2nc(C)sc2C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 72402256 VXAWYELDGWFOBO-LBPRGKRZSA-N 382.511 2.692 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1Cl 31377321 HNSASVWYYBHKPM-CQSZACIVSA-N 384.860 2.975 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)NC2CCCC2)n1C 35311049 KMOGDARXSPYMOQ-UHFFFAOYSA-N 376.482 2.554 0 40 GFAB C[C@H]1C[C@H](NC(=O)Cc2nn(C)c3ccccc23)c2ccsc2S1(=O)=O 562950331 KIEIYSTYGYCSKX-FZMZJTMJSA-N 389.502 2.601 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 222809267 FCOGXSPXCYHOJH-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1F 222982257 GVIZCGOFZUKSIA-AWEZNQCLSA-N 376.403 2.897 0 40 GFAB COc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC[C@H]1COC(=O)N21 225491281 VAYHYENNXRLCNT-HNNXBMFYSA-N 388.445 2.615 0 40 GFAB biogenic,in-vitro CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OCC)cc1 224584252 OYMNTYGHZWVABX-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB O=C(/C=C/c1ccccc1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 77196515 PJBPKIVUPOFHCY-RMKNXTFCSA-N 389.502 2.645 0 40 GFAB CC(C)NC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 96111692 STXAKAMTPHRWDX-WMZOPIPTSA-N 380.448 2.568 0 40 GFAB biogenic,in-vitro Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(C(=O)c2ccno2)C1 96100654 NOQYFQQLUVUTRD-NRFANRHFSA-N 376.416 2.754 0 40 GFAB CC(C)n1ncc2c1C[C@@H](N[C@@H]1CCCc3ccc(S(N)(=O)=O)cc31)CC2 579413273 KFDQABYIUIJZAY-QFBILLFUSA-N 388.537 2.636 0 40 GFAB COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C(=O)Nc2ccccc2)C3)cc1 96148615 VGDZAEDBKOPQBM-UHFFFAOYSA-N 376.416 2.609 0 40 GFAB COc1ccc([C@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 95533708 BOHSBBGHPHMBEC-AWEZNQCLSA-N 375.226 2.997 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 257256130 KKFKWDJDDOPKGP-OAHLLOKOSA-N 379.482 2.838 0 40 GFAB O=C(NCC1(C2CCCCC2)CCCCC1)C1(n2cnnn2)CCOCC1 613155105 SUXDEFLDCPZNBC-UHFFFAOYSA-N 375.517 2.826 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)NCc1ccccc1C(F)(F)F)C(C)(C)CO 663857371 XOVVMTLYMQMMTJ-CQSZACIVSA-N 384.402 2.998 0 40 GFAB O=C(c1ncoc1-c1ccon1)N1CCC(n2c(O)nc3ccccc32)CC1 665615050 ZDPVYMAJLNYXJN-UHFFFAOYSA-N 379.376 2.862 0 40 GFAB COC(=O)c1cc(Br)cc(C(=O)OC)c1I 382696000 ZDTIMZRONIOKRH-UHFFFAOYSA-N 398.978 2.627 0 40 GFAB CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 44125031 FWDBZPGZLXBSKR-UHFFFAOYSA-N 397.454 2.789 0 40 GFAB Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1S(C)(=O)=O 44490857 OGPKZSGBNLZCBI-UHFFFAOYSA-N 386.517 2.577 0 40 GFAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 12088048 RJPQYLGETGVVKY-JKSUJKDBSA-N 378.476 2.534 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1 12613506 IEOLWJLHMXCFMF-MRXNPFEDSA-N 389.521 2.630 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cnc21 12746322 CKGGKLUODZZUAB-HZPDHXFCSA-N 383.452 2.516 0 40 GFAB O=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 18214517 VLTHDIRDCNZYAE-UHFFFAOYSA-N 390.530 2.993 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cnn(C)c3)CC2)C1 19019837 LPAVTBBRDUZSHX-UHFFFAOYSA-N 396.491 2.615 0 40 GFAB Cc1cc2nc([C@@H](C)NC(=O)[C@H](C)n3nc(C(F)F)cc3C)cc(O)n2n1 19129630 DXGSPNQCBLZSCR-MNOVXSKESA-N 378.383 2.624 0 40 GFAB O=C(N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1)c1cnccn1 19332469 WMSUQFTXXFMNMH-QGZVFWFLSA-N 393.422 2.680 0 40 GFAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)c1cccnc1 19337909 YNGFYDRFNGCXIU-UHFFFAOYSA-N 376.445 2.894 0 40 GFAB Cc1ncsc1-c1cc(CN2CCC(NC(=O)CC(C)C)CC2)n(C)n1 19562453 WWBMPMXLCOTUAU-UHFFFAOYSA-N 375.542 2.979 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1C 19571077 LPMSWQCTNDCYDD-UHFFFAOYSA-N 394.519 2.730 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1 19698244 PWRFNIUJAGDMHX-HXUWFJFHSA-N 392.569 2.551 0 40 GFAB CCOC[C@@H](O)CN1CCN(Cc2nc3ccccc3c(C)c2Cl)CC1 592266468 XPWXKGRDDVGQLR-INIZCTEOSA-N 377.916 2.712 0 40 GFAB O=C(c1ccccn1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 31558691 UGAPXSFIKQQATH-UHFFFAOYSA-N 383.839 2.743 0 40 GFAB Cc1nc(CN2CCO[C@H]3CN(C(=O)Nc4ccc(F)c(F)c4)C[C@@H]32)cs1 2056224116 DIQSNONTDSHVTL-IRXDYDNUSA-N 394.447 2.847 0 40 GFAB COc1cccc(NC(=O)c2nc3c(s2)CCN(Cc2cn[nH]c2)CC3)c1 1203091291 ZJAPMUINHQPNLC-UHFFFAOYSA-N 383.477 2.728 0 40 GFAB Cc1nc(C(=O)NC[C@H]2CCc3ncc(C(=O)Nc4ccccc4)n32)cs1 1565554156 SFCHYBORXMRTGE-CQSZACIVSA-N 381.461 2.818 0 40 GFAB O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)c1ccc(Cl)cc1 4139906 ZIJHYRVCISQGBA-UHFFFAOYSA-N 383.770 2.653 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 5192963 NYBUWSDWBBJABS-KRWDZBQOSA-N 396.447 2.971 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 207997339 ZHIZQXAVKXZXIH-INIZCTEOSA-N 382.420 2.899 0 40 GFAB O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)NCc1ccccc1Cl 49388533 HZYWGFCLHUGLNA-UHFFFAOYSA-N 387.823 2.627 0 40 GFAB COc1cccc2cc(C(=O)N3CCC[C@@H](Oc4ccnc(C)n4)C3)c(=O)oc12 575609500 MCRDNAYFEZYGSV-OAHLLOKOSA-N 395.415 2.584 0 40 GFAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19499444 RDDWIBNAJPGLLH-QZTJIDSGSA-N 396.491 2.652 0 40 GFAB Nc1nc(Cn2cnc3ccccc3c2=O)nc(Nc2ccccc2Cl)n1 12360131 UMOWZQKRGFIWBV-UHFFFAOYSA-N 379.811 2.609 0 40 GFAB CCOC(=O)Cn1/c(=N\C(=O)c2cc(C)n(CC)n2)sc2cc(F)ccc21 101344717 YZWABYGYAFEVPI-CZIZESTLSA-N 390.440 2.671 0 40 GFAB CCn1nnc2cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)ccc21 40011969 DSFLYGSFWXDWSC-OAHLLOKOSA-N 375.436 2.514 0 40 GFAB Clc1cc(CNCc2cccnc2N2CCOCC2)cc2c1OCCO2 40091413 AHQGSPXSXKGKJK-UHFFFAOYSA-N 375.856 2.633 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)NCc1ccc(F)c(Cn2ccnc2)c1 40122587 MWNYIQXKIXSILZ-UHFFFAOYSA-N 394.450 2.815 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)C[C@H](NC(C)=O)c1cccs1)CC2 31239488 KNLGWMAIGUQZTR-INIZCTEOSA-N 388.489 2.918 0 40 GFAB CC(C)Oc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20485204 JQGSZAXSHJKNII-SFHVURJKSA-N 390.461 2.640 0 40 GFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1 2409126 JVGKDSANAUVITR-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB O=C1CC[C@H](C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)CN1 51570760 PFKFVQDZQMNVTJ-KRWDZBQOSA-N 378.428 2.519 0 40 GFAB Cc1cc2c(cc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)n2C)s1 4967155 NDWWJUNRTQIOFR-UHFFFAOYSA-N 386.429 2.750 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(-n2cnnn2)ccc1Cl 20744841 CNFPXEPNTRWVQD-UHFFFAOYSA-N 396.838 2.804 0 40 GFAB CC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 101632027 XPFXIEOLXRGRIT-UHFFFAOYSA-N 387.461 2.997 0 40 GFAB O=C(c1nnc2sc(-c3cccc(Br)c3)nn12)N1CCCC1 57354602 MYNMIISOMKPTRK-UHFFFAOYSA-N 378.255 2.851 0 40 GFAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2ccc(Cn3cncn3)cc2)c1 32795266 OEPCZGQOJDWXIP-HNNXBMFYSA-N 392.463 2.845 0 40 GFAB Cc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O 8361168 OWCRUCAODOEYJO-UHFFFAOYSA-N 378.519 2.670 0 40 GFAB CCN(CC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 32753221 OXUZPPLGMDMZMB-UHFFFAOYSA-N 387.933 2.795 0 40 GFAB COc1cccc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)c1 9058655 XRFFENSVJZGVKE-UHFFFAOYSA-N 381.432 2.898 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C(C)=O)cc1 33047790 ROTVRQCUUYCHHR-INIZCTEOSA-N 375.446 2.740 0 40 GFAB CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 20140880 GJZNKHMRMNWGSN-NRFANRHFSA-N 376.508 2.990 0 40 GFAB O=C(NCc1ccco1)c1noc(C(=O)NCc2ccco2)c1-c1ccncc1 27755378 KVGCNVUFANGDRN-UHFFFAOYSA-N 392.371 2.783 0 40 GFAB CC(C)(CNC(=O)CCNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 53028082 CLKUPYWQBMFWEF-UHFFFAOYSA-N 397.494 2.899 0 40 GFAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1NC(=S)Nc1ccccc1 642533 SWRWNADUZMRFKN-UHFFFAOYSA-N 376.445 2.831 0 40 GFAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 53417334 PRSJYBMLQXPWRK-VXGBXAGGSA-N 379.254 2.908 0 40 GFAB Cc1cccc(CN2CCC(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)c1 53506370 YKSCHUMLQPGXRK-HXUWFJFHSA-N 393.535 2.782 0 40 GFAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(C/C=C/c2ccccc2)CC1 22788272 UNCQVFOFJLLGKB-DHZHZOJOSA-N 396.535 2.920 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)nc(C)n1 878783 CNQWHBAIAOQABO-UHFFFAOYSA-N 383.433 2.542 0 40 GFAB CCN1C[C@@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 100665292 VXSPCLKACDEESP-NSHDSACASA-N 399.838 2.676 0 40 GFAB O=C(CN1CCOCC1)Nc1sc2c(c1C(=O)c1cccc(F)c1)CCC2 20109300 KLQLRLXLWPHYMU-UHFFFAOYSA-N 388.464 2.878 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Sc2nncn2C)c(OC)c1 55048358 ZLDJJJHLCVYSOK-WFASDCNBSA-N 376.482 2.677 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1 24550973 OQDJMMBVIKQFKR-UHFFFAOYSA-N 379.482 2.893 0 40 GFAB COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c1 1291821 DDTYPGOTWYJEBW-SFHVURJKSA-N 399.451 2.855 0 40 GFAB Cc1cc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c2c(C)noc2n1 24701034 UMYUVOATMWFUBD-UHFFFAOYSA-N 379.420 2.726 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)N[C@H](C)c1ccccc1)O2 106360167 BMDVEIQHHAEJCY-DNVCBOLYSA-N 388.489 2.790 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)O)c1)O[C@@H](C)C2 12560482 XDARTJXAFYMZHL-NSHDSACASA-N 377.418 2.908 0 40 GFAB Cn1c(=O)c2c(nc(Oc3ccccc3F)n2Cc2ccccc2F)n(C)c1=O 1424520 FCVZLRVMFNDCCN-UHFFFAOYSA-N 398.369 2.553 0 40 GFAB Cc1ccc(CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C2CC2)cc1 25293596 LVPYTLVPJIOISD-FQEVSTJZSA-N 376.460 2.606 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2S(C)(=O)=O)c1 108668459 OXHYDENHFZATGP-AWEZNQCLSA-N 381.457 2.867 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)n1 1903958 SVXJZENLZROKBN-SOFGYWHQSA-N 376.434 2.918 0 40 GFAB O=C(NCc1nc(-c2ccsc2)no1)[C@H]1CC(=O)N(CCc2ccccc2)C1 58130209 ICFSHMGRUBDQHI-INIZCTEOSA-N 396.472 2.506 0 40 GFAB COc1cc(CNC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O 58179461 PQNLAFQHALSLCT-HUUCEWRRSA-N 379.501 2.577 0 40 GFAB O=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCSCC1 58365842 SIDXZZMFMGRQHR-UHFFFAOYSA-N 396.465 2.878 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 58419200 AEQAKMCNPKYEFS-IBGZPJMESA-N 387.457 2.742 0 40 GFAB Cc1sc(NC(=O)Cn2cnnn2)nc1-c1ccc(Br)cc1 12787632 HXKCZERNLBPTIG-UHFFFAOYSA-N 379.243 2.506 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 12740688 UMRVIVWHVQATNP-UHFFFAOYSA-N 396.488 2.848 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2OCc2noc(C)n2)n1 48308764 SCVCMANBYPBDRC-ZDUSSCGKSA-N 383.452 2.836 0 40 GFAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 12955214 JZHKRWHXOWWODT-HUUCEWRRSA-N 381.494 2.735 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC1=NCCS1 13003775 ZNYZWMRGNJDMJI-UHFFFAOYSA-N 393.465 2.768 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(F)c(F)c1)O2 64988684 KPAUBAVUBBJISS-QGZVFWFLSA-N 396.415 2.829 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1C 4325580 JKCUTZKVIHROLE-MRXNPFEDSA-N 393.530 2.960 0 40 GFAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccccc1I 39956955 CWZBNWWTMMVCJC-JTQLQIEISA-N 377.178 2.942 0 40 GFAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)[C@@H]2N1 65924642 YGNSTQMBYJBWHB-QECMIOEESA-N 377.554 2.749 0 40 GFAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@@H](O)c3ccccc3)ccc12 6659975 QGRAJWVZANAWOA-IFXJQAMLSA-N 381.428 2.973 0 40 GFAB Cc1nnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 14715897 SYRAIELOYXUAPV-UHFFFAOYSA-N 394.522 2.592 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 7019522 GPIAUVUAERZFCE-UHFFFAOYSA-N 395.463 2.714 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7114863 UCAOFAKCXGFBFM-FXAWDEMLSA-N 398.528 2.654 0 40 GFAB Cc1ccc2c(CSc3n[nH]c(=O)n3C[C@@H]3CCCO3)cc(=O)oc2c1C 7350117 IJZLGJQVMJXKBG-AWEZNQCLSA-N 387.461 2.766 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1 408603719 GWTYWGPTQHBROU-ZDUSSCGKSA-N 396.896 2.674 0 40 GFAB CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 16088739 IUQSRLSEQJOMRM-UHFFFAOYSA-N 381.281 2.893 0 40 GFAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccc(Cl)c1 19819788 SSNOMKWNQQWBPW-KRWDZBQOSA-N 388.851 2.872 0 40 GFAB CCOc1ccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1 19924048 PNOGWDMFELWPQX-UHFFFAOYSA-N 381.440 2.603 0 40 GFAB CCN(C(=O)c1ccc(F)cc1Br)[C@@H](C)CS(=O)(=O)CC 79041359 OSODSBQZVXHFNY-JTQLQIEISA-N 380.279 2.874 0 40 GFAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)ccc1Cl 97015146 AIGAJEZZXSDMQU-LLVKDONJSA-N 391.280 2.545 0 40 GFAB CCCN(CCNS(=O)(=O)c1ccccc1)C[C@H]1COc2ccccc2O1 95385672 PBINDOMYALHMMS-KRWDZBQOSA-N 390.505 2.517 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409393960 ZLBMUOFCVTVBBG-CYBMUJFWSA-N 380.441 2.920 0 40 GFAB COc1cc(CN[C@H]2CCCC[C@@H]2C)c(Br)cc1OCC(N)=O 36612922 NPUKXFKRXBBWAV-FZMZJTMJSA-N 385.302 2.990 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NC1CCCCCC1)c1ccc2c(c1)OCO2 408705233 ZZGHWVJCLPMTGV-UHFFFAOYSA-N 396.509 2.801 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CCCN(c3nnc(C4CCOCC4)s3)C2)n1 549461574 XWRHUPVQOSPMEB-HNNXBMFYSA-N 387.509 2.991 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)cc1 524735186 DASAURCPOKLFLD-UHFFFAOYSA-N 385.449 2.765 0 40 GFAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(F)c(F)c2)CC3)C[C@H](C)O1 72347272 JSERPIVVJCDGFQ-STQMWFEESA-N 390.434 2.632 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1cc(C)ccc1OC 39985648 SGHGYYNDLOZROX-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 77148524 LGRFRLYBCLKRMN-UHFFFAOYSA-N 390.871 2.599 0 40 GFAB C[C@H](Sc1ccc(-c2ccccc2)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 71962618 YJCADJCUAJRYSK-ZDUSSCGKSA-N 395.484 2.697 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC)c(Cl)c2)cc1 224860612 FIPRZSXHIGVEFC-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccnc(N2CCOCC2)n1 224218194 NTHCWQQKVHXUGH-UHFFFAOYSA-N 395.488 2.675 0 40 GFAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 222540558 RXTFBBYSOLUFLP-INIZCTEOSA-N 388.489 2.759 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@@]2(O)CCCc3cc(OC)ccc32)s1 225711943 LLKGHSGXNMBAQV-SFHVURJKSA-N 381.519 2.822 0 40 GFAB CCCC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 585138343 GVRLKMVUERTSMI-UHFFFAOYSA-N 385.468 2.737 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)c2cc(F)cc3nc[nH]c23)C[C@H]1c1ccc(F)cc1F 1602186635 XFGXQABZMFNSBU-UONOGXRCSA-N 389.333 2.921 0 40 GFAB O=C(NCc1ccc2occc2c1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 661136194 ONPWTLUPUJGOJR-GOSISDBHSA-N 393.443 2.912 0 40 GFAB CNC(=O)c1ccn([C@H]2CCCN(c3nccc4cc(OC)c(OC)cc34)C2)n1 663824578 DOUXQHJEKPGILA-HNNXBMFYSA-N 395.463 2.650 0 40 GFAB Cc1cncc(C(=O)N2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)c1 1615159582 HIBGVOMSXCRJQA-LEWJYISDSA-N 398.503 2.750 0 40 GFAB O=C(NC1CCC1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595750 LCMLOSURMGNBKH-DYXWJJEUSA-N 388.483 2.903 0 40 GFAB CCn1cc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)cn1 12185472 GVHJZKKOXSSDMZ-UHFFFAOYSA-N 378.436 2.778 0 40 GFAB CC[C@H]1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1 12188612 ZXLXAZGQEUYWNL-FQEVSTJZSA-N 383.492 2.693 0 40 GFAB CCCc1ccc(C(=O)N2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)o1 12242153 LNQUYPKPAZPZJQ-LLVKDONJSA-N 383.495 2.507 0 40 GFAB O=C(CC[C@@H]1CCCO1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12407047 LNEXGHQYLMZUOM-STQMWFEESA-N 379.411 2.727 0 40 GFAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(C)cc1)S(C)(=O)=O 13713321 JELXZOHYTPZLCH-MRXNPFEDSA-N 390.461 2.907 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 19134281 HJKJWWLCUNIABB-SFHVURJKSA-N 396.491 2.524 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19333228 RCUZFKGNCLRJBI-CWRNSKLLSA-N 393.413 2.889 0 40 GFAB O=C(C/C=C/c1ccccc1)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19368502 BCTYWPDGDTVMGD-AMGQUURNSA-N 378.476 2.738 0 40 GFAB COc1ncccc1-c1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cccc(F)c2)n1 19594664 GGOKATYSYYASLS-QGZVFWFLSA-N 394.406 2.957 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(F)c(F)c1 19930814 ZGDJWILHYACNQT-UHFFFAOYSA-N 380.416 2.977 0 40 GFAB CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCCN(C(=O)C3CCC(=O)CC3)C2)C1 12365379 JKCJFDIRGXOERH-HSZRJFAPSA-N 398.503 2.856 0 40 GFAB Cc1nc([C@@H]2CCN(C(=O)Nc3cc(C)n(-c4cccc(Cl)c4)n3)C2)n[nH]1 563544530 GBYAVHGDEWBEQG-CYBMUJFWSA-N 385.859 3.282 0 40 GFAB CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1/C(=C\OC)C(=O)OC 585658561 DAXYUDFNWXHGBE-VSTIRTDWSA-N 384.476 2.700 0 40 GFAB biogenic C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O 5630689 LZLMLBUTOCPABR-XCLFUZPHSA-N 375.444 2.579 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](COc3ccc(-c4cccc(F)c4)nn3)C2)cn1 1888906362 UFGJZSJOSMAACP-OAHLLOKOSA-N 393.422 2.922 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4ccncc4)CC3)CC2=O)cc1 245053542 OYZNAMZTARBNTR-KRWDZBQOSA-N 379.460 2.813 0 40 GFAB O=C(CCCc1cn[nH]c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037908957 IKVWWKJRDLUBOS-FQEVSTJZSA-N 375.444 2.694 0 40 GFAB O=C(CN1CCC[C@](O)(COc2ccccc2)CC1)NCc1ccc(F)cc1 2037916230 XNSQRZQEOBTFKJ-JOCHJYFZSA-N 386.467 2.738 0 40 GFAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NCc1ccco1 4341559 QJKBQBKSSHIUCQ-UHFFFAOYSA-N 383.408 2.956 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc4c(c3)OCO4)sc2c1 9521389 PFSURLOPDXOCFJ-UHFFFAOYSA-N 390.442 2.610 0 40 GFAB CCCNC(=O)CSc1nc(O)c2cnn(-c3ccc(Cl)cc3)c2n1 17286158 XDSDTNNLOOSWRL-UHFFFAOYSA-N 377.857 2.793 0 40 GFAB Cc1cccc(CN2CCC[C@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)c1 2055771725 SLOAEFMGIHZHDD-SFHVURJKSA-N 380.414 2.861 0 40 GFAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccc(Cl)c2)C1 2055745598 NFUJWDAVMAWKTC-BMGDILEWSA-N 385.851 2.993 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(C)CC1 22457567 KFHQFKCHEVQRDA-KBXCAEBGSA-N 397.541 2.543 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 23107849 MCTRSCYZMVLNME-MRXNPFEDSA-N 380.535 2.717 0 40 GFAB COc1ccccc1CCNC(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 35592728 LOLWXBRLIQCQPF-UHFFFAOYSA-N 380.400 2.980 0 40 GFAB Cn1cc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)Cc3ccccc32)cn1 575618983 KTKNDCWETNDPFE-IBGZPJMESA-N 375.428 2.979 0 40 GFAB O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCOc2ccccc21 30578482 MPPSYVLQRKVPCZ-UHFFFAOYSA-N 386.473 2.900 0 40 GFAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1nc2ccccc2s1 36569670 GCCKWVUHTQGALA-ABAIWWIYSA-N 383.429 2.580 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1ccc(F)c(F)c1)C2=O 7989473 IJZWEIDMOLNWAF-WZEQGRABSA-N 379.407 2.643 0 40 GFAB O=C(CSc1nnnn1C1CC1)Nc1ccnn1Cc1ccccc1Cl 11277627 WEZPCODNLMEFMQ-UHFFFAOYSA-N 389.872 2.637 0 40 GFAB Cc1ccc(C)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 11450658 CLROSFDNJBKMKM-UHFFFAOYSA-N 378.519 2.948 0 40 GFAB O=C(CN1C(=O)COc2ccc(-c3cscn3)cc21)NCc1ccccc1 31869768 ALTSWFINPMDXLZ-UHFFFAOYSA-N 379.441 2.852 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 4386552 JXEJSOBQLMYATM-UHFFFAOYSA-N 393.491 2.841 0 40 GFAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1O 20736209 MJCKZIPVMAOFGH-LLVKDONJSA-N 391.391 2.685 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(C)cc(C)c1 6203908 CPXUNXGOUDAQHE-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nnn1-c1ccccc1 11615991 ZILPYOIMNPCAJT-UHFFFAOYSA-N 376.464 2.580 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2)cc1C 6471580 VSKFMAJKWONUCT-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB O=C(/C=C/c1ccco1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101660288 VTGAHQMLDYLDAG-BQYQJAHWSA-N 393.443 2.656 0 40 GFAB CCOC(=O)c1sccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 57522396 YORBTVVZHYFAQG-UHFFFAOYSA-N 391.836 2.927 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 100730960 NHEFEMDADZMEIE-IRXDYDNUSA-N 388.508 2.793 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Oc1ccc(Br)cc1 102083312 DWJCTICLYKAKRF-KUDNYVPYSA-N 390.233 2.552 0 40 GFAB COC(=O)c1cn(Cc2ccc(OC)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 101719418 NSLLSQKNCPBCAZ-UHFFFAOYSA-N 389.411 2.982 0 40 GFAB COc1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1 8193945 PUZMGPBILYFQGO-UHFFFAOYSA-N 385.416 2.969 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1 8415164 WGHPAIBVSXERQW-UHFFFAOYSA-N 397.431 2.854 0 40 GFAB CCNc1nc(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc12 8545821 UNRCEIRHVPLXBU-UHFFFAOYSA-N 387.490 2.953 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 8036408 MLIHYOZSJDPNBK-RDJZCZTQSA-N 396.443 2.787 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 21559352 ZALNCFULGAGTNB-SFHVURJKSA-N 380.444 2.958 0 40 GFAB COC(=O)c1ccc2c(O)nc(CN3CCN(c4ccccc4F)CC3)nc2c1 21916252 GVDKQPNVIOTDCU-UHFFFAOYSA-N 396.422 2.583 0 40 GFAB COc1ccccc1CN(C)[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 21917878 ZHSLICYOAYHXHI-IBGZPJMESA-N 381.520 2.860 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(F)cc1 33402690 DGGVEHMWNAHTIB-HXUWFJFHSA-N 395.434 2.665 0 40 GFAB CC(=O)N1CCN(C(=O)[C@H](C)Sc2ncc(C(F)(F)F)cc2Cl)CC1 42081920 WAOXKZRQSLGKOM-VIFPVBQESA-N 395.834 2.925 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)OCc3nnsc3Cl)CC2=O)cc1 22634405 FHQQFJUABOFJEO-JTQLQIEISA-N 381.841 2.687 0 40 GFAB Cc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100446798 ZLVLCDILEFVYCR-LZNRXBQRSA-N 380.444 2.667 0 40 GFAB CC(C)OC(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1 938844 TZUPGCRHQPCJFE-UHFFFAOYSA-N 393.436 2.944 0 40 GFAB COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC 23385482 KQJKHELUQYSWER-UHFFFAOYSA-N 399.808 2.634 0 40 GFAB CCc1c(C)nc2n(c1=O)[C@H](c1cccnc1)N=C(Nc1ccc(OC)cc1)N2 101981760 HSOMLZDZVYNUFH-GOSISDBHSA-N 390.447 2.958 0 40 GFAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Cn2cncn2)cc1 25194174 OMYBKRHHLIJJDH-UHFFFAOYSA-N 376.416 2.706 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)CN2CCCc3cc(C)ccc32)c1 12527151 GIMFGTAKPWYPQE-UHFFFAOYSA-N 381.476 2.853 0 40 GFAB CCc1cccc(OC[C@@H](O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 24988603 LHTMEZLAMJKYEJ-INIZCTEOSA-N 388.489 2.583 0 40 GFAB COc1ccc(-c2nn3c(nc2=O)SC[C@@]3(O)c2ccc(Cl)cc2)cc1 27526375 XAJCRYSZXWRSCO-GOSISDBHSA-N 387.848 2.766 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 21898187 XUUUKQLGOIMEIZ-ZDUSSCGKSA-N 382.507 2.633 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3cccs3)CC2)c1 57023980 CYWOVMSMSMZNIO-UHFFFAOYSA-N 378.519 2.948 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cncc(Br)c1 22465617 SPUMSJQJUMECNW-AWEZNQCLSA-N 396.310 2.709 0 40 GFAB C[C@H](CNC(=O)c1csc(-c2cnn(C)c2)n1)N1CCc2sccc2C1 45019682 ONSFDFUUMYUWJO-GFCCVEGCSA-N 387.534 2.782 0 40 GFAB CCOC(=O)C1(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)CCCCC1 58410442 AHPPSKMACHYDHB-MDWZMJQESA-N 384.476 2.974 0 40 GFAB CN(Cc1ccccc1)C(=O)COC(=O)CCNC(=O)c1ccccc1Cl 3303294 VJSMIQFIVBXFGS-UHFFFAOYSA-N 388.851 2.662 0 40 GFAB C[C@H](C(=O)N1CCc2ccccc21)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3336151 WXPANJTVOCOXFO-IQMFZBJNSA-N 389.455 2.748 0 40 GFAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(-n3cnnn3)cc2)no1 8275090 RYSLELMLIAUACV-UHFFFAOYSA-N 393.432 2.898 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(F)cc2C)c1 12757584 ZDOJDSQMLKGXQM-UHFFFAOYSA-N 381.381 2.508 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)cc1Cl 12748976 CWQNUUHMVNIFTL-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB CCCn1ccnc1S(=O)(=O)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 48235234 QHGUPGKAPJSLEZ-INIZCTEOSA-N 389.521 2.894 0 40 GFAB CNC(=O)c1cccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 62378680 QXDKBGNBRQPGHH-UHFFFAOYSA-N 386.496 2.739 0 40 GFAB Cn1ccnc1[C@@](O)(CCNCc1ccc(-n2cccn2)cc1)C(F)(F)F 48366183 XBZKUCVRYALSAF-KRWDZBQOSA-N 379.386 2.536 0 40 GFAB Cc1cc(C)n(Cc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)n1 27970803 FKBYJQXCEHCGPR-UHFFFAOYSA-N 392.459 2.739 0 40 GFAB O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccc2c(c1)OCCO2 3495333 ALUUAUMFCFLFSS-UHFFFAOYSA-N 379.315 2.855 0 40 GFAB O=C(OCC(=O)c1ccc[nH]1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 3421616 HWCPXQPUFLEBON-UHFFFAOYSA-N 388.379 2.851 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2cccc(OC)c2)s1 3439526 ZPBBERGGCVBZHG-SECBINFHSA-N 381.483 2.617 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3412160 QMMQPHNQEDJNRO-IQMFZBJNSA-N 389.455 2.748 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(OC)cc2OC)c1C 3521936 WKQSDAYCQDDPCY-UHFFFAOYSA-N 389.404 2.865 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1F 3600892 OKGJUJCSIIUJGL-OAQYLSRUSA-N 381.407 2.856 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)OCc3cc(=O)n4ccsc4n3)c2O1 6032520 URFXKVOHTYNZCS-UHFFFAOYSA-N 386.429 2.592 0 40 GFAB COc1ccccc1N1CCN(C(=O)C[C@H](NC(C)=O)c2cccs2)CC1 14049707 NEILSOBEJHMCTJ-INIZCTEOSA-N 387.505 2.673 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2c(C)n[nH]c2C)ccc1C 6508688 FIGHGBFRAWETMO-UHFFFAOYSA-N 392.525 2.937 0 40 GFAB O=S(=O)(c1ccc(Cl)c(-c2cn3ccccc3n2)c1)N1CCOCC1 4632366 OBIATVGUCOSBOX-UHFFFAOYSA-N 377.853 2.676 0 40 GFAB CC(C)OCCCn1c(S[C@@H](C)C(=O)NC2CC2)nc2ccccc2c1=O 5568621 MVJVJXJRTLPYOL-AWEZNQCLSA-N 389.521 2.971 0 40 GFAB O=C1S/C(=C/c2ccccc2)C(=O)N1CCC(=O)N1CCCC[C@H]1CCO 6660802 OPISTLJTCJWDJU-WUVIJCSQSA-N 388.489 2.877 0 40 GFAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(Cl)c1 5637234 CKOYJNNHBZIFCI-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)cc1 14812857 RZKPDFMXTYRTBS-UHFFFAOYSA-N 385.445 2.528 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 408564605 YGMCPTZCNOBGEB-CSKARUKUSA-N 382.416 2.834 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 4989068 RFCHRCLMEPYSCO-HXUWFJFHSA-N 399.443 2.726 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)N3CCN(c4cccc(C)c4C)CC3)n2)cc1 7019517 WSZWXKBLGKOFCK-UHFFFAOYSA-N 390.491 2.614 0 40 GFAB Cc1cc(NC(=O)c2ccc(COC(=O)Cn3cnnn3)cc2)ccc1Cl 7036388 DQBHWLMPTZFEDN-UHFFFAOYSA-N 385.811 2.631 0 40 GFAB C[C@H](OC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1 15519966 NROBUVHWFSUOTJ-RBBJQHAHSA-N 384.407 2.914 0 40 GFAB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16025015 BKBWMJHSTIUDBM-CJXDPKRBSA-N 389.883 2.515 0 40 GFAB Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)o1 7737592 DTYSQMIRTDZUBN-UHFFFAOYSA-N 392.481 2.541 0 40 GFAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)C2)n[nH]1 83996366 PACULHTXFBLNSE-JTQLQIEISA-N 392.378 2.839 0 40 GFAB CN1CC[C@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 306128436 HAHRJJCEBVKIPS-NRFANRHFSA-N 391.500 2.829 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC1Cc3ccccc3C1)C2=O 89948241 MJPFDIAVSVKLNS-UHFFFAOYSA-N 397.519 2.799 0 40 GFAB COC(=O)[C@@H](NC(=O)CCn1c(S)nnc1-c1cccc(C)c1)C(C)(C)C 72292572 ILNSBFMWFSCEMM-OAHLLOKOSA-N 390.509 2.636 0 40 GFAB COCCOc1cc(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)ccn1 95464629 XQJILCFBLZHFHE-GOSISDBHSA-N 388.468 2.540 0 40 GFAB CCN1N=C(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CCC1=O 95957425 QXYFIMTZICMUQQ-UHFFFAOYSA-N 397.504 2.909 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)cc1 9985410 HWSXUEMAHNAUOB-HXUWFJFHSA-N 393.439 2.898 0 40 GFAB Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1I 79057411 VYMNAUSHPPPTFO-YPMHNXCESA-N 384.261 2.955 0 40 GFAB CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986086 QDJWCIPGKYNPKB-KRWDZBQOSA-N 394.880 2.741 0 40 GFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 24906393 RJLLQVSHPNWOHT-SFHVURJKSA-N 376.478 2.583 0 40 GFAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)NC[C@@H]3CCCO3)c2)o1 408598774 BBMFKCGOEPUSOS-ZDUSSCGKSA-N 391.807 2.865 0 40 GFAB O=C1C[C@H](c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)N2NC=NC2=N1 409377346 GPUVGNFYZWJFMI-MRXNPFEDSA-N 397.822 2.533 0 40 GFAB C[C@@H]1C[C@H](CCNC(=O)NCc2ccccc2S(N)(=O)=O)CC(C)(C)C1 502918387 LPMVGVOALTVNLS-CABCVRRESA-N 381.542 2.986 0 40 GFAB O=C(/C=C/c1cccs1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 56903520 FMJASRNIMRGOFQ-VMPITWQZSA-N 377.473 2.962 0 40 GFAB Cc1cccc(OCC(=O)N2CCN(Cc3nnsc3Cl)CC2)c1C 32913818 WMLQQXUKHGYZLE-UHFFFAOYSA-N 380.901 2.532 0 40 GFAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1 36241239 OIGYWZFCKGTHQZ-CYBMUJFWSA-N 375.446 2.633 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)CCCn1ccnc1)c1ccccc1O2 72327818 FQIKMYFASMJHHR-XMSQKQJNSA-N 396.491 2.684 0 40 GFAB CC(C)c1ncsc1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 560320589 AOHLFAPWBWOGNZ-GFCCVEGCSA-N 399.563 2.911 0 40 GFAB COc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 225680436 LZEFJFOSUGEAMM-UHFFFAOYSA-N 392.502 2.520 0 40 GFAB CCC(CC)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223420131 CRBMTFIVBRBTAS-UHFFFAOYSA-N 388.902 2.911 0 40 GFAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(N)(=O)=O 223037506 HJWKIQWKMNCSIJ-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccccc1 224065035 LCSRDTCHBNSNRU-HUUCEWRRSA-N 376.478 2.727 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 220154716 SKGBDGTVWZOMDZ-GJZGRUSLSA-N 376.478 2.727 0 40 GFAB CC[C@H](C)NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 225221304 ADXQHQKZKKVOLO-HNNXBMFYSA-N 382.526 2.717 0 40 GFAB CN(C)CCOc1cccc(CN(C)C(=O)[C@]2(O)CCc3ccccc3C2)c1 585080975 PJUSGUPOXRYPAS-QHCPKHFHSA-N 382.504 2.505 0 40 GFAB CCn1c(CCCC(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)nc2ccccc21 257322941 WIDHPFUUGLPLDN-SFGWALBWSA-N 395.507 2.765 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCC[C@H](C)C3)s2)cc1 260760973 CXKIBCLXQQTUEW-LBPRGKRZSA-N 380.495 2.519 0 40 GFAB Cc1ccc(C2(C(=O)N3CCC[C@H](c4nnc(O)o4)C3)CCOCC2)cc1C 614387287 AFKVQMFLYDEPEM-INIZCTEOSA-N 385.464 2.846 0 40 GFAB O=C([C@H]1COc2ccccc2C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414615 CPPVRXQQLYDMEI-QAPCUYQASA-N 391.514 2.688 0 40 GFAB O=S(=O)(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccccc1Cl 575414380 BVJJVZFUVDDICL-VIFPVBQESA-N 394.806 2.535 0 40 GFAB Cc1c(C(=O)N2Cc3ccnn3[C@H](CN3CCCC3=O)C2)oc2ccccc12 575404176 AGIWUKZYCJDPSU-MRXNPFEDSA-N 378.432 2.757 0 40 GFAB CCN1C(=O)CC[C@H](C(=O)NCc2cnc3ccccc3c2)[C@H]1c1ccnn1C 585101647 DZPRAICCSULYJR-UWJYYQICSA-N 391.475 2.584 0 40 GFAB NS(=O)(=O)c1ccc(N/N=C2/C(=O)Nc3ccc(-c4ccccc4)cc32)cc1 43903520 JLXVWRFQMPZPTD-UHFFFAOYSA-N 392.440 2.769 0 40 GFAB CCn1nc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c2ccccc2c1=O 57058268 OTZSWCOUJVVAAO-OAHLLOKOSA-N 394.450 2.812 0 40 GFAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CCN([C@@H]2CCNC2)CC1 667574429 WYKVNRFDFMXAKM-CQSZACIVSA-N 391.928 2.975 0 40 GFAB CCCn1ncc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1C 1615153646 CHLXFZXUBCZTGM-JOCHJYFZSA-N 396.491 2.640 0 40 GFAB CCn1cncc1CN1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615162258 UZPOCTJMXRKCMJ-LEWJYISDSA-N 387.524 2.622 0 40 GFAB Cc1cccc(Oc2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C)c1 5387327 VAKQLCHKLFXDLE-UHFFFAOYSA-N 394.406 2.722 0 40 GFAB biogenic CCOc1ccccc1CCCNC(=O)c1ccccc1NS(C)(=O)=O 13674081 RNMFIJBGVYVWRR-UHFFFAOYSA-N 376.478 2.819 0 40 GFAB CC[C@H](C(=O)NCCCOC(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714726 CUFPFBGHKXFODW-MRXNPFEDSA-N 390.933 2.816 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)NC3CCCC3)CC2=O)c1 14202253 NTFSXPINGHGWEL-ZIAGYGMSSA-N 390.505 2.752 0 40 GFAB CCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 14359891 FKLZPOSCAQNKIT-UHFFFAOYSA-N 384.860 2.806 0 40 GFAB Cc1nc2cc(C(=O)NC[C@@H](C)N3CCOCC3)ccc2n1-c1ccccc1 19657182 WWRRKUGWKCMKJT-MRXNPFEDSA-N 378.476 2.784 0 40 GFAB CNc1cc(CN(C)C(=O)CCc2ccc(OC)cc2)nc([C@H]2CCCNC2)n1 19709590 YPJRBHLHDLOORA-KRWDZBQOSA-N 397.523 2.585 0 40 GFAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)CC1 6308143 LLLQLAVLCWERQU-CXUHLZMHSA-N 388.445 2.710 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 8477184 RSKLXAWXTAQWFT-XYOKQWHBSA-N 393.237 2.862 0 40 GFAB COCCN(CCOC)c1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccccc1 100121505 VOPQSTJTMCFVFO-WIYYLYMNSA-N 382.508 2.838 0 40 GFAB C[C@@H]1CCCCN1CC(=O)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 12239910 UPRNSZJHKLXJLR-QGZVFWFLSA-N 386.540 2.550 0 40 GFAB CCc1ncc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19523379 UQNOTGVWJNSIIQ-CQSZACIVSA-N 394.928 2.871 0 40 GFAB Cc1nc(C)c(F)c(OCC2CCN(c3cc(=O)n4ccccc4n3)CC2)n1 1888897872 VQIUWMWJVNZSGD-UHFFFAOYSA-N 383.427 2.536 0 40 GFAB CCOc1ccc2nc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)sc2c1 1889179222 IWPURHCZSQZODY-GFCCVEGCSA-N 381.523 2.746 0 40 GFAB Cc1cc(N2C[C@@H]3CN(C(=O)Cc4ccc(C(F)(F)F)cc4)C[C@H]3C2)ncn1 1889390304 PNSKSSILCKEBJC-HZPDHXFCSA-N 390.409 2.941 0 40 GFAB O=C(NCc1nncn1-c1ccc(F)cc1)c1ccnc(O[C@H]2CCSC2)c1 244970137 HLHCKDIAPFVSQX-INIZCTEOSA-N 399.451 2.616 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1ccoc1)c1cccs1 244914793 BECVGFSTCZLJAV-FQEVSTJZSA-N 388.489 2.700 0 40 GFAB COCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1 9661153 VHTYJFOLNCSOFW-UHFFFAOYSA-N 397.826 2.548 0 40 GFAB COc1cccc2cc(C(=O)Nc3cc(-c4ccco4)nn3CCO)c(=O)oc12 42384701 PSLJRTUOSITRNW-UHFFFAOYSA-N 395.371 2.503 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254988 JUPNUZILPYZRMS-GFCCVEGCSA-N 391.399 2.750 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)c1 6764427 PHKDZDGCQXIOBV-WEMPKCCASA-N 378.428 2.817 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)c1 17045840 SFAWAHLJXJAUHH-LEWJYISDSA-N 377.488 2.947 0 40 GFAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 40287991 AFHXWFSCQDWJNM-KRWDZBQOSA-N 392.415 2.869 0 40 GFAB NC(=O)N1CCC(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 58970359 IXGICFPXLFCRBR-UHFFFAOYSA-N 378.476 2.979 0 40 GFAB O=Cc1cc2c(Cl)c(C3OCCO3)cnc2n1S(=O)(=O)c1ccccc1 1857794271 RDXYZBQBMRPDKH-UHFFFAOYSA-N 392.820 2.785 0 40 GFAB COc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1 882494 BPMJUFRZCARRJM-UHFFFAOYSA-N 397.456 2.924 0 40 GFAB Cc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1N1CCCC1 8026520 QDJQLHZMRSMEER-UHFFFAOYSA-N 384.480 2.788 0 40 GFAB CC(C)Cc1nc2oc3c(N4CCN(CCO)CC4)ncnc3c2c2c1CCC2 20517892 BLTOJRUZSJCIKZ-UHFFFAOYSA-N 395.507 2.573 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C 3483778 HNGDEIDWPHGDKF-LBPRGKRZSA-N 390.411 2.982 0 40 GFAB COC(=O)Cc1csc(NC(=O)C2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1 101406493 YUOSOOIHKJDUDB-GJZGRUSLSA-N 385.489 2.565 0 40 GFAB CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 32666642 UXKXNUTUDDJVHS-HNNXBMFYSA-N 383.492 2.756 0 40 GFAB O=C(NC1CCCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6393862 DTROUCBRNMFMES-UHFFFAOYSA-N 380.510 2.550 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCCC3)s2)cc1 6818006 LHWPJQZBLIIWNW-UHFFFAOYSA-N 380.495 2.664 0 40 GFAB Cc1cc(N2CCN(Cc3cn4ccccc4n3)CC2)nc(-c2ccncc2)n1 60112864 CQXGBYLBPFOZDV-UHFFFAOYSA-N 385.475 2.817 0 40 GFAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1C1OCCO1 60348904 SFXKMBWNGHSFKB-CYBMUJFWSA-N 381.372 2.501 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1F 32745012 OSTPXRAWCZPRQV-LBPRGKRZSA-N 381.407 2.981 0 40 GFAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCSc1ccc(F)cc1 8277341 TYYOLESEIGAXKS-QGZVFWFLSA-N 377.437 2.914 0 40 GFAB Cc1cc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1Cc1ccco1 32988593 KRPKPSITNVYODE-BQYQJAHWSA-N 381.476 2.840 0 40 GFAB COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 640009 JXVQTHKRLHQIGE-UHFFFAOYSA-N 387.461 2.602 0 40 GFAB Cc1nc(NCCCN2CCNC(=O)C2)c2cc(-c3ccccc3)sc2n1 89708952 VBAAHTPGADPROF-UHFFFAOYSA-N 381.505 2.901 0 40 GFAB Cc1ccc(CNC(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22786461 DOTXJHZCSCDTMZ-SFHVURJKSA-N 395.503 2.546 0 40 GFAB O=C(CN1CCN(Cc2ccccn2)CC1)Nc1ccccc1C(F)(F)F 22943127 DTJKZIMVXQSXPR-UHFFFAOYSA-N 378.398 2.857 0 40 GFAB Cc1c(C(=O)NCc2ccc(CN3CCOCC3)cc2)[nH]c2c1C(=O)CCC2 23958352 MVBGVOLVAKBLAC-UHFFFAOYSA-N 381.476 2.604 0 40 GFAB CCOc1ccc(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 25606278 UQRDSYVRLLJRJK-QFIPXVFZSA-N 398.503 2.826 0 40 GFAB CC(=O)c1cccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 12555583 YEOYXNSTBKULJJ-LJQANCHMSA-N 386.473 2.521 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21 57494247 YTIKBZGPXFKCPH-UHFFFAOYSA-N 389.452 2.530 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2C)C1=O 57767969 DWNJXIPTHGYXOQ-OAQYLSRUSA-N 397.479 2.513 0 40 GFAB CCN(CC(=O)N(C)[C@H](C)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 58013897 CCWXHSUQUIWIPA-MRXNPFEDSA-N 378.476 2.965 0 40 GFAB Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](C)n1ccnc1 58224800 LXQYTFGHCCXIMY-LBPRGKRZSA-N 379.258 2.660 0 40 GFAB CC(=O)c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c(F)c1 58325735 AOSCKYLBIJERHH-UHFFFAOYSA-N 379.439 2.931 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)NCc2ccc(C(F)(F)F)cc2)no1 12623492 ZQLWPHVPHQGFIB-UHFFFAOYSA-N 387.383 2.990 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 45184886 PZXUOCGGJDRYJP-HXUWFJFHSA-N 396.539 2.787 0 40 GFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCc2ccsc2)CC1 48363138 GAZGOYLGRRJLGX-HNNXBMFYSA-N 389.496 2.991 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 12894965 YHXGYQKOYWFHJD-IDHHARJASA-N 394.537 2.570 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 3462868 ZJIRYVWOZAYIBK-SFHVURJKSA-N 375.787 2.885 0 40 GFAB Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)o1 5173064 KDEGVQCDFSFOGE-UHFFFAOYSA-N 388.445 2.932 0 40 GFAB Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc2c(c1)OCO2 13956217 HOQDEISLGDQYDV-UHFFFAOYSA-N 384.417 2.647 0 40 GFAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1CCCN(c2cnccn2)C1 29758828 YNSCCJPNINQGFS-FQEVSTJZSA-N 379.508 2.605 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 4689032 WYWIKRVKMCMNJN-INIZCTEOSA-N 390.505 2.501 0 40 GFAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 6661538 KNBFSWSXMUHVCX-UHFFFAOYSA-N 398.484 2.715 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H]1c1cccc2c1OCCO2 66771584 LQBPKEHAFYPGIZ-KRWDZBQOSA-N 391.427 2.531 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 15603678 YFWDZECWUJYQDP-CYBMUJFWSA-N 379.420 2.739 0 40 GFAB CCCCn1nc(C(=O)NCCc2ccc3c(c2)OCO3)c2ccccc2c1=O 8753765 NKPIOHNOXGGFPO-UHFFFAOYSA-N 393.443 2.898 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842577 NBZYBZBIJSRROW-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 16172863 GRTXFAJTMROPFS-INIZCTEOSA-N 383.473 2.884 0 40 GFAB Cc1ccc(SCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 21707576 LOVINTDPIBHTRS-UHFFFAOYSA-N 390.530 2.927 0 40 GFAB CC(C)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 16179503 TZGTWVHTSSCLFN-UHFFFAOYSA-N 396.516 2.837 0 40 GFAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@@H]2C[C@@H](C)OC2=O)c1 95955874 VCBKWKURCARYPM-IUODEOHRSA-N 375.450 2.532 0 40 GFAB CN(C(=O)CCN1C(=O)CCC1=O)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 95958539 OKGWWRUOFSTMGE-HNNXBMFYSA-N 397.500 2.918 0 40 GFAB Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1C 22735936 HTOHXMGIZRLGPK-UHFFFAOYSA-N 379.468 2.524 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CCN1Cc3ccccc3C1=O)CC2 524732256 XPCOPELAYDHCDJ-UHFFFAOYSA-N 380.444 2.635 0 40 GFAB biogenic COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 216425911 RJSPTLNEMJIXGR-UONOGXRCSA-N 394.468 2.866 0 40 GFAB Cn1nccc1CNC(=O)c1cc(Br)cc(Br)c1O 32914490 LKGCFLWEDLOXNZ-UHFFFAOYSA-N 389.047 2.581 0 40 GFAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 71279791 POZDWRLANTWONJ-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB COc1cc(CN[C@@H]2CCCC[C@H]2C)c(Br)cc1OCC(N)=O 36612923 NPUKXFKRXBBWAV-BXUZGUMPSA-N 385.302 2.990 0 40 GFAB COc1cc2ncn(CCC(=O)N[C@H](C)c3ccccc3)c(=O)c2cc1OC 32100263 UHARKSUCKKLICA-CQSZACIVSA-N 381.432 2.681 0 40 GFAB CCOc1ccccc1CNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219170415 BBXNJJJOLUXUKH-UHFFFAOYSA-N 390.505 2.948 0 40 GFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)cc1 223586350 ADAXSQOMXRLOLT-UHFFFAOYSA-N 377.397 2.753 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCN(C)c2ccccc2)ccc1Cl 223255702 PDWIFFSEHBDTSS-UHFFFAOYSA-N 382.869 2.541 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1 225206075 LWZQJGZUMHXUAP-UHFFFAOYSA-N 394.522 2.957 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44933584 SCXDIDYYHTUJHQ-DNVCBOLYSA-N 388.489 2.790 0 40 GFAB CSc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1NC(C)=O 225777018 IKYCWRYCAKDMMK-UHFFFAOYSA-N 394.474 2.574 0 40 GFAB COc1ccccc1CNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222492119 OGRYTJCGVXYQIX-UHFFFAOYSA-N 382.869 2.674 0 40 GFAB Cn1cccc1-c1noc(CNC(=O)Cc2ccc(OC(F)(F)F)cc2)n1 225768251 USOJFXRERCEDLN-UHFFFAOYSA-N 380.326 2.833 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCOCC2)nc1 224250292 CPZKOWCYMWSURK-UHFFFAOYSA-N 381.461 2.997 0 40 GFAB COc1ccccc1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O 224740425 GTMYOXLRXGGDFY-UHFFFAOYSA-N 382.526 2.938 0 40 GFAB CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CCN(c1ncccn1)CC2 96260539 COQAAIGFFJBICV-UHFFFAOYSA-N 394.523 2.781 0 40 GFAB COC[C@@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CN1c1ncccn1 96051808 STUGPBLRTFENMN-IBGZPJMESA-N 382.508 2.993 0 40 GFAB Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)ccc1CO 257205555 AZPZNPVRCVLCBZ-HNNXBMFYSA-N 393.447 2.656 0 40 GFAB CNc1cc(C(=O)N2CCO[C@@H](c3cncc(-c4ccccc4F)n3)C2)ccn1 257305548 SQMNUOHYWILFPK-LJQANCHMSA-N 393.422 2.933 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257315358 VAZFOUFSEGHKAS-IBGZPJMESA-N 388.499 2.546 0 40 GFAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 260850883 SNJRMVHVTJCERQ-GJZGRUSLSA-N 378.469 2.900 0 40 GFAB Cc1nnc(O)c(CNC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1C 1116502946 IUAVWEITNRUCAY-VIFPVBQESA-N 385.390 2.595 0 40 GFAB Cc1cc(C(=O)NC2(c3c(F)cccc3F)CCC2)nc2nc(O)nc(O)c12 629934589 QNZQYODBBULUBK-UHFFFAOYSA-N 386.358 2.832 0 40 GFAB CO[C@]1(C(=O)O)CCN(C(=O)Cc2cccc(OCc3ccccc3C)c2)C1 630250879 CYWGCCHKLGMWOQ-JOCHJYFZSA-N 383.444 2.819 0 40 GFAB CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CC[C@H]3CCc4ccccc43)[C@@H]2C1 641395217 PFTPVDYNFMPFBS-LFGUQSLTSA-N 379.522 2.705 0 40 GFAB Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/CN(C)C)CC3)ncn2)n1 585292445 MKSLHLOKVXQALD-VMPITWQZSA-N 394.523 2.823 0 40 GFAB Cn1nccc1/C=C/C(=O)N1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 585290511 XMWQKBIOGUUQCI-ITGJNFKXSA-N 381.476 2.800 0 40 GFAB COc1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)c(C(N)=O)cc1OC 63683126 WOXZUNUFABKSNR-UHFFFAOYSA-N 397.475 2.653 0 40 GFAB CC(C)[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 2275060 QKGRIBSRJBJWAO-XUDLPTGHSA-N 384.407 2.822 0 40 GFAB biogenic Cc1ccc(/C=C/C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)o1 7158751 LVGPPPOBLKCBHN-CMDGGOBGSA-N 379.315 2.702 0 40 GFAB O=C(NCc1ccccn1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595954 VMGPYSMOJDSSEN-DYXWJJEUSA-N 381.451 2.929 0 40 GFAB CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c12 5271995 PVCHQPUQHUWYNL-NSHDSACASA-N 395.550 2.833 0 40 GFAB COc1ccc(CN(Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)c(OC)c1 12187189 AJPDMBACEVKTNU-IBGZPJMESA-N 386.496 2.741 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713279 VJRUWULKKROQDJ-GOSISDBHSA-N 390.505 2.865 0 40 GFAB Cn1cccc1C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1CCc1ccccc1 13731327 QGJDOFSWHKMZPX-IRLDBZIGSA-N 396.512 2.917 0 40 GFAB CCCc1nnc(SCC(=O)Nc2nnc(CC)s2)n1C[C@@H]1CCCO1 15935888 WTDITGRBDGUZHX-NSHDSACASA-N 396.542 2.554 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 16248518 PBJDYQHEPUZMGE-SECBINFHSA-N 384.807 2.969 0 40 GFAB COc1c(C)cccc1CN1CC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 19235917 JPEZZPFTMQJJPW-GOSISDBHSA-N 380.492 2.688 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19590390 QYZLCXYERKQKQV-GOSISDBHSA-N 394.519 2.812 0 40 GFAB CC1(C)CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)CC[S@@]1=O 515607014 JIVPEMCYIFKXMZ-SANMLTNESA-N 397.972 2.641 0 40 GFAB O=C(N[C@@H]1CCCOC1)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226638 UBMJWIFKINSXBF-QZTJIDSGSA-N 390.455 2.801 0 40 GFAB COc1ccccc1CC(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775985996 NTUFXAAMCUKXPO-UHFFFAOYSA-N 395.503 2.612 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)NCCC3=CCCCC3)CC2=O)cc1OC 4479810 VOYQPWMZZSXAFL-MRXNPFEDSA-N 387.480 2.999 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)c(C)c1 13697073 RBVPRUNQKNRKEE-UHFFFAOYSA-N 387.461 2.663 0 40 GFAB CCCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(F)c(F)c2)cc1 13854628 LRJKDYWVZQEUFM-UHFFFAOYSA-N 389.402 2.863 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)n1cccn1 575613069 FGZRKUANELUNRK-OAHLLOKOSA-N 384.461 2.606 0 40 GFAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccccc4F)no3)c2N)c1 5043268 XMOWXZFLRAOPHZ-UHFFFAOYSA-N 382.355 2.723 0 40 GFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 842273 PUPUGFQHKXCTGO-CQSZACIVSA-N 397.225 2.711 0 40 GFAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1c[nH]nc1-c1ccc(F)cc1 11531071 YJRVLGPLOJPIFE-UHFFFAOYSA-N 382.395 2.843 0 40 GFAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 1093061 GYUILGVNGLPTKN-UHFFFAOYSA-N 392.908 2.852 0 40 GFAB CC(C)NS(=O)(=O)OC[C@@](O)(CC(Cl)(Cl)Cl)c1ccccc1 2029059 HZODHTUKCFMVFH-LBPRGKRZSA-N 390.716 2.894 0 40 GFAB COc1ccc(Cn2c3c(c(=O)[nH]c2=O)CN([C@@H](C)c2ccccc2)CN3)cc1 20551238 BKTBKLHQKRWGSU-HNNXBMFYSA-N 392.459 2.540 0 40 GFAB CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 20725172 OGFWGYSLJDNHPL-OAHLLOKOSA-N 377.404 2.866 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 7737072 MCLYWKDZLBPOIX-JKSUJKDBSA-N 398.434 2.867 0 40 GFAB Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)CCC3=O)c2)CC1=O 7928595 FOSBAWLPLLIBPU-OAHLLOKOSA-N 392.411 2.607 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2Cl)Oc2ccccc21 10009084 QCQANHUXAPIVQJ-INIZCTEOSA-N 380.853 2.896 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)NCCCN3CCC(C)CC3)CC2=O)c1 28067275 HTUKWIZYHZCDKX-KRWDZBQOSA-N 389.565 3.000 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCC(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325496 VJEUXGRHEMDYCU-INIZCTEOSA-N 375.494 2.604 0 40 GFAB Cc1cccc(OCCNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 9869614 PGKNXKGDOGLEIA-UHFFFAOYSA-N 381.476 2.978 0 40 GFAB Cc1cccc(CN2CCC(NC(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)c1 53506373 YKSCHUMLQPGXRK-FQEVSTJZSA-N 393.535 2.782 0 40 GFAB CCn1cc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c(C)n1 2792666 GXZLAVXKHAAJSZ-UHFFFAOYSA-N 379.873 2.910 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1csc(-c2cnn(C)c2)n1 46912335 BVOVWAFRWCZZPB-CYBMUJFWSA-N 393.476 2.958 0 40 GFAB C[C@H](NC(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cc2ccccc2o1 23718506 SVYAPTYUGSWCTM-YOEHRIQHSA-N 390.505 2.509 0 40 GFAB COc1cccc(-n2c(C)cn3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)c1 12374104 FIOZGDKFJFRXPD-UHFFFAOYSA-N 395.463 2.502 0 40 GFAB O=c1cc(CN(c2nccs2)S(=O)(=O)c2ccccc2)nc2ccccn12 24834220 HLONFDQHVRZAAQ-UHFFFAOYSA-N 398.469 2.547 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1OC 102870617 OXRDEAYKXQORJN-RDJZCZTQSA-N 386.791 2.650 0 40 GFAB CCn1nnc2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)ccc21 55553604 XTYSZDALSSWWRG-UHFFFAOYSA-N 392.463 2.793 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21 57494250 UIGAPTVXGXGOJJ-UHFFFAOYSA-N 389.452 2.578 0 40 GFAB 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)OC3)CC[C@@]12O 118913793 FLMSQRUGSHIKCT-VZYVOPCKSA-N 390.520 2.575 0 40 GFAB in-vitro CN(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 27150501 QATWMYUMBVWOSR-MRXNPFEDSA-N 382.432 2.716 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 20451241 QOURILWTGXHCFA-UHFFFAOYSA-N 381.476 2.911 0 40 GFAB CC(=O)c1ccc(Nc2nnc(SCc3cccc(C)c3)n(N)c2=O)cc1 28536474 ITLAVROYHDGCMU-UHFFFAOYSA-N 381.461 2.899 0 40 GFAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H]1CCS(=O)(=O)C1 44720679 XYLFAOBNIVKHBW-SNVBAGLBSA-N 386.832 2.607 0 40 GFAB O=C(Nc1ccccc1O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58186433 PQKUESBHJQEDNG-CVEARBPZSA-N 377.400 2.605 0 40 GFAB Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 10233752 SCJCCZXFNOVSNJ-UHFFFAOYSA-N 389.390 2.780 0 40 GFAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 27647378 ZDRSFFNYYDEJEI-UHFFFAOYSA-N 387.383 2.716 0 40 GFAB CCCn1c(=O)c2c(C(=O)OCC)cc(-c3ccco3)nc2n(CCC)c1=O 3356351 NFZGABGHMCTPCS-UHFFFAOYSA-N 385.420 2.815 0 40 GFAB COc1ccc(CNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3467580 JKQBVOTWMGBHID-UHFFFAOYSA-N 382.441 2.674 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1OC(F)F)C2=O 3595697 NVAXPLMUTOAMHX-ZMZPIMSZSA-N 381.379 2.727 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccc(O)cc2)N2NC(SCc3ccccc3)=NC2=N1 4176600 AZTLLKFQLHGFKX-KRWDZBQOSA-N 393.472 2.672 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCCN(Cc2nnnn2-c2ccccc2)CC1 64480771 VIJHQSSATXRSHG-UHFFFAOYSA-N 396.882 2.664 0 40 GFAB CCCn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n[nH]c1=O 8474886 DJAIJZLRPYXUNA-XUXNNNHQSA-N 378.542 2.795 0 40 GFAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)cc1 4296000 IXAGVOKKPLJQRD-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB COc1ccccc1[C@H]1[C@H](C(=O)OCC(N)=O)CCC(=O)N1c1ccc(C)cc1 6363024 VQGFLZLZPJWNIO-UTKZUKDTSA-N 396.443 2.516 0 40 GFAB CCN(C(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccccc1 21023784 OMRWWODIHABCRU-UHFFFAOYSA-N 391.406 2.750 0 40 GFAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccn1 8610065 TYJOZQPWZAXMQI-SFHVURJKSA-N 376.420 2.999 0 40 GFAB aggregator Cc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306125632 CWNAACIZZJVIKT-RTWAWAEBSA-N 386.455 2.913 0 40 GFAB CCc1nc2ccccc2n1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 6579578 IIQBLNQEOCDSHU-UHFFFAOYSA-N 385.489 2.668 0 40 GFAB COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 4680053 AZRFNLWMLDVBKW-UHFFFAOYSA-N 384.384 2.855 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2)c(OC)c1 4985823 SWZACAWQZIKCGR-GOSISDBHSA-N 392.419 2.618 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(=O)c2ccccc2o1 4950057 JQVRBIZWBLOYLY-UHFFFAOYSA-N 386.429 2.604 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1nccnc1C(=O)O 71286532 PTPSPBBFDJWWID-UHFFFAOYSA-N 392.371 2.688 0 40 GFAB Cc1ccc([C@@H]([C@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 19863985 WIIAKJDQWGCZOG-LEWJYISDSA-N 384.476 2.545 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc(N3CCCCCC3)nc2N)cc1Cl 71771564 JEMLEHNEHMYIBM-UHFFFAOYSA-N 396.900 2.934 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Cc1ccccc1 9502051 AZSNOUQPNUFKPY-INIZCTEOSA-N 396.459 2.586 0 40 GFAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 71802800 BFGXQTLYACGMDN-OAHLLOKOSA-N 376.428 2.582 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2F)cc1C 408618442 GJKXNPXMFLTDPD-CYBMUJFWSA-N 380.441 2.838 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 9853615 XZYDYKZCYIAZBE-UHFFFAOYSA-N 384.910 2.985 0 40 GFAB O=C(Nc1cccnc1-n1cc(Br)cn1)C1Oc2ccccc2O1 72404987 FIDQNFVWTVCKRZ-UHFFFAOYSA-N 387.193 2.766 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccccn4)C[C@@H]32)cc1 306124316 BMMYKKYWDIUCNR-YADHBBJMSA-N 388.471 2.973 0 40 GFAB COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccc(C)cc2)=C1 20367690 KABCUXXSTUEMOD-UHFFFAOYSA-N 385.445 2.506 0 40 GFAB Cc1ccccc1-c1c2c(nc3nc(N4CCOCC4)nc(N)c13)CCCC2=O 20673557 AVKCXTHFYNFDIM-UHFFFAOYSA-N 389.459 2.938 0 40 GFAB COC(=O)C1=C(C)[C@](C(C)=O)(C(=O)OC)NC(C)=C1c1ccc(Cl)cc1 33690992 GOSZKUZRNRRZHP-IBGZPJMESA-N 377.824 2.665 0 40 GFAB O=C(O)c1ccc2c([C@H](C(=O)O)N3CCOCC3)cn(Cc3ccccc3)c2c1 36358018 BHDXVSGXTCCJLC-HXUWFJFHSA-N 394.427 2.846 0 40 GFAB CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)C1 72374017 ZITRCMCNFHMGGP-GOSISDBHSA-N 378.480 2.501 0 40 GFAB COc1ccc(OC)c(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c1 225220288 FIWHJLLHHIOXCT-UHFFFAOYSA-N 387.505 2.924 0 40 GFAB COc1c2ccc(C(=O)N[C@@H](c3cccnc3)C3CCOCC3)cc2nn1C 225619999 HPXWIJFDSDRPPV-LJQANCHMSA-N 380.448 2.875 0 40 GFAB C[C@@H](NC(=O)C(=O)NCCN1CCC(c2cccs2)CC1)c1ccccc1 77104260 GHWINDGWOSBYQM-MRXNPFEDSA-N 385.533 2.921 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 222393499 REYOOJZOFGMIMG-QGZVFWFLSA-N 396.487 2.862 0 40 GFAB CCCc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(C)C)cc1 40051020 MTDZVQONPNZRRC-GOSISDBHSA-N 394.475 2.701 0 40 GFAB CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCc3ccccc3C2)n1 225878562 QBRTYIVAWFGTHG-UHFFFAOYSA-N 382.537 2.946 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(C)cc1 96518279 DOGWDWJLBFGCSZ-NSHDSACASA-N 386.638 2.940 0 40 GFAB O=C(c1cc(-c2cn(-c3ccccn3)cn2)n2ccccc12)N1CCC[C@@H](O)C1 96154938 NVTCYDJCAYGAOC-MRXNPFEDSA-N 387.443 2.784 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)CCc1ccccc1)C2 96227404 XDHFDWXGNMNFHC-REWPJTCUSA-N 377.488 2.911 0 40 GFAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C[C@H]2CCOC2)CC1 248138935 POVDKCYQDGQFBZ-BLIXFSHQSA-N 389.515 2.833 0 40 GFAB CCCCCCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 604382010 YUFSQDCVONXXQH-HXUWFJFHSA-N 386.540 2.870 0 40 GFAB biogenic,in-vitro O=C(CN1CCO[C@@H](Cc2ccccc2)C1)Nc1ccc(N2CCCCC2)nc1 539577212 OUUVOIGZJHHMBO-NRFANRHFSA-N 394.519 2.954 0 40 GFAB COc1ccc(N(CCCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 250587119 SRZLBDWLSQACBK-MPGHIAIKSA-N 380.510 2.546 0 40 GFAB CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3CCCn4ccnc43)CC2)cc1 655704200 SNVDGJMWFZIZRP-IBGZPJMESA-N 388.537 2.770 0 40 GFAB O=S(=O)(c1cccc2c1OCCC2)N1CCOC[C@H]1c1cccc(F)c1 657169863 IYRWVRYVKWDOHS-KRWDZBQOSA-N 377.437 2.913 0 40 GFAB CCOC(=O)c1nc2ccccn2c1NC(=O)Nc1ccc2c(c1)CC(=O)N2 1625769482 TTXZCPQCRMWMSH-UHFFFAOYSA-N 379.376 2.650 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)c1 90678844 RERDPXLSOZMSCC-UHFFFAOYSA-N 399.472 2.871 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096632 FEXNZYQJBYXEHX-AWEZNQCLSA-N 398.488 2.692 0 40 GFAB O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc(Br)ccc1O 591830438 OFKNEHWFRXXTRA-UHFFFAOYSA-N 376.166 2.750 0 40 GFAB CC(C)N(Cc1ccccn1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 55277668 KJICLIKAUPHCGC-UHFFFAOYSA-N 395.868 2.665 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615121797 NVVSRHLXOWCQFN-OAQYLSRUSA-N 386.471 2.574 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 5934619 XXLGZGYZKOLZDY-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)nn(C)c1C 5423097 GJOIGBVLTRLYPO-UHFFFAOYSA-N 388.287 2.999 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5527048 DPMOACGZQJXACD-UHFFFAOYSA-N 388.367 2.631 0 40 GFAB COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 12911808 IVLMVTZOFRAIBA-JXFKEZNVSA-N 394.537 2.652 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)n1 13009084 LSNNEMHDMCNANY-UHFFFAOYSA-N 396.882 2.895 0 40 GFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 13675852 UNELIMUPPVFFQY-UHFFFAOYSA-N 377.418 2.744 0 40 GFAB O=C(NC1CC1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13676821 DUCCAEXTCPACJY-KRWDZBQOSA-N 392.864 2.575 0 40 GFAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 15739364 PNEZGHUGDQLGNL-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB Cc1cc(-c2nccs2)nc(C2CCN(C(=O)c3cnn(C)c3C)CC2)n1 19118647 NANDMIARBZTUCD-UHFFFAOYSA-N 382.493 2.970 0 40 GFAB Cc1cccc([C@@H]([C@H](C(=O)c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366165 ITRIZILBESUUJP-XZOQPEGZSA-N 394.515 2.952 0 40 GFAB COc1cc(OC)c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)[nH]c2c1 19550496 MATUJTPTLXVJFD-UHFFFAOYSA-N 380.448 2.538 0 40 GFAB COc1ccccc1CNc1nc(CCn2ncc3c2CCCC3)cc(=O)[nH]1 19570870 BWORYWUGGFDFLM-UHFFFAOYSA-N 379.464 2.709 0 40 GFAB COCCC(=O)N1[C@H]2CC[C@@H]1Cc1nc(N(C)C)nc(Nc3ccccc3)c12 19585194 MWJQQFBEQRSWRN-WBVHZDCISA-N 381.480 2.911 0 40 GFAB CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 19706188 DPUOMOUSBJYABQ-LJQANCHMSA-N 392.507 2.544 0 40 GFAB Cc1cccc2[nH]c(C(=O)N3CCC(c4nnc5n4CCN(C)CC5)CC3)cc12 19709402 BNYMYLWJJCATSA-UHFFFAOYSA-N 392.507 2.576 0 40 GFAB COc1ccc(CC(=O)N2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc1OC 12406583 QYNAWWONKULSTJ-IBGZPJMESA-N 398.503 2.906 0 40 GFAB COc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O 19550185 ANRAJARHSNJFIM-KRWDZBQOSA-N 394.475 2.815 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2Cl)n1 7048116 HIBJTJQHMSVZBJ-LBPRGKRZSA-N 396.838 2.757 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC2(N3CCSCC3)CCOCC2)cc1 1888853227 WQSDUTRBUDYWNJ-UHFFFAOYSA-N 378.538 2.802 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775996160 YBWQAINLROQXNC-GFCCVEGCSA-N 395.257 2.775 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)NCCn1c(C)nc2sccc2c1=O 244933085 CAKHHWBDWRSTIG-UHFFFAOYSA-N 399.501 2.752 0 40 GFAB O=C1NCCCCO[C@H]2CN(Cc3cccc(F)c3)C[C@H]2Oc2ccccc21 2037985858 YTDIZSAIEXIIEQ-LEWJYISDSA-N 384.451 2.998 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]2O1 1565550208 UPTWNHQPHDBLTC-JBYGMCGMSA-N 397.519 2.792 0 40 GFAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)nn1 5204191 UXHLVDDGGXDUMW-UHFFFAOYSA-N 398.444 2.911 0 40 GFAB Cc1cccc(Cn2c(=O)c3c(nc4n(CC(C)C)c(C)c(C)n34)n(C)c2=O)c1 10233652 RLMCOPSALNBAQF-UHFFFAOYSA-N 393.491 2.779 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679724 OKNWBTNROPOPHF-HOCLYGCPSA-N 398.488 2.824 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](OCCO)c1ccsc1 575621041 NGZGELBQKMCBPL-CQSZACIVSA-N 375.899 2.738 0 40 GFAB O=C(NCCc1ccccc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147127 LPKXZLYLXBYSEV-OAHLLOKOSA-N 391.269 2.645 0 40 GFAB CCOc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc(OCC)c1OCC 10255664 BSTXBJYCQJBHFP-KRWDZBQOSA-N 398.459 2.940 0 40 GFAB NC1=NC(SCC(=O)Nc2ccccc2)=N[C@H](c2c[nH]c3ccccc23)N1 13579226 VABAMJAQBDLHMB-QGZVFWFLSA-N 378.461 2.812 0 40 GFAB C[C@H](C(=O)NCc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 40149043 KNXFVERGSFPCHR-LLVKDONJSA-N 387.379 2.906 0 40 GFAB Nc1nccnc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 40112620 MYFXFXJBLMHQGN-MRXNPFEDSA-N 379.489 2.650 0 40 GFAB COc1cc(C(=O)Nc2nc(C)c(C)s2)ccc1OCC(=O)NC(C)C 40141212 SJIQQYZTUGWPJA-UHFFFAOYSA-N 377.466 2.924 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 11144385 GLRPSRPDYWAUBX-LBPRGKRZSA-N 380.853 2.901 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)c1 890972 ZVPPWAHZGQWNQZ-GOSISDBHSA-N 393.365 2.965 0 40 GFAB COC(=O)c1cccc(C(=O)Nc2ccc(I)cc2)n1 1505621 VIDKWDZSNFJTJE-UHFFFAOYSA-N 382.157 2.725 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1F 3561585 VTYYSDKRXQHWIA-UHFFFAOYSA-N 396.415 2.546 0 40 GFAB CCCCOC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)OCCCC 4403546 KCCYUUPPAVPFMF-AWEZNQCLSA-N 378.418 2.841 0 40 GFAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 32299901 GXNZWXZHGRKYGL-MDDUGHTDSA-N 395.425 2.530 0 40 GFAB CC[C@@H](C)NC(=O)CS(=O)(=O)CCCC(=O)Nc1c(C)cc(C)cc1C 46115495 PNLWTFSXSIXGEM-MRXNPFEDSA-N 382.526 2.660 0 40 GFAB COc1cccc(C(=O)NCCNC(=O)NCc2ccc(C(F)(F)F)cc2)c1 32803059 IMTKGCFJUPDEGI-UHFFFAOYSA-N 395.381 2.943 0 40 GFAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)ccc21 101665851 BPWBIZRSAOWJJR-SRVKXCTJSA-N 392.381 2.859 0 40 GFAB COC(=O)/C=C1\S[C@@H](C)C(=O)N1CC(=O)Nc1ccccc1C(F)(F)F 2626640 MRDYYXPWIWSRCA-XSHGTHSTSA-N 388.367 2.622 0 40 GFAB NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc2c3c(cccc13)CC2 32883600 VKTLSYAHGHHFIA-GOSISDBHSA-N 387.439 2.533 0 40 GFAB O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1C[C@H]2CC[C@H]1C2 102510862 CJDPLWIZSBSUHO-HOTGVXAUSA-N 384.455 2.760 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1nc(N2CCCCC2)ncc1Cl 32937183 IGGXQFDXVCVDDL-ZFWWWQNUSA-N 394.903 2.972 0 40 GFAB COC(=O)c1cccc(NC2=C(C)C(=O)N(c3cccc(C(=O)OC)c3)C2=O)c1 11907925 QUFQGRXMLIEBLM-UHFFFAOYSA-N 394.383 2.519 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100563719 XIKVBMYVPJXHPI-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 792762 CYMZRNVWEXUOOD-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2cccc3ccccc23)CC1 22788319 VCMKOKXBIDEGJZ-RXVVDRJESA-N 381.520 2.641 0 40 GFAB O=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1 805920 RLVUUXLGVFNMSV-HNNXBMFYSA-N 376.384 2.969 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 23183631 HUZOARSGTHWOGC-XLIONFOSSA-N 382.460 2.739 0 40 GFAB O=C1NC(=O)/C(=C\c2cc(Br)c(I)o2)S1 59105213 HEUSTBBCOYBJPA-GORDUTHDSA-N 399.991 2.971 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(F)c1 22363465 MVVJNCKIEOWFCM-GOSISDBHSA-N 376.453 2.786 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 22363181 AKEVTHFVBWMOBF-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB O=C(COc1ccccc1F)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 25784420 IOFYBJGQPVEMCE-SFHVURJKSA-N 376.403 2.533 0 40 GFAB Cc1nc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c2ccccn12 89708974 CSSMYHOVHZRUDS-KRWDZBQOSA-N 394.450 2.950 0 40 GFAB Cc1ccc(C(=O)Nc2ncccc2O)cc1S(=O)(=O)NCc1ccccc1 12527191 BPEKWCJAEZWNEL-UHFFFAOYSA-N 397.456 2.826 0 40 GFAB NC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cc2)n1 58244440 KWYLQKJLQSJBPK-UHFFFAOYSA-N 394.815 2.565 0 40 GFAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)c(F)c1 12891130 RHDGNKFPXSSVMT-QKVFXAPYSA-N 399.397 2.751 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1C 12884616 BGMOUTAQNRMCQE-GFCCVEGCSA-N 386.404 2.805 0 40 GFAB CN(C)C(=O)[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12846474 YMJRJAGRCAIUOK-NRFANRHFSA-N 380.444 2.729 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 12936892 GSGCDNAMCQEFDB-SFHVURJKSA-N 378.425 2.546 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 48513568 URMOJCSIIOEDCG-TZMCWYRMSA-N 388.493 2.998 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)c(O)c1 7782942 RMSJAHXGHGDDJJ-AWEZNQCLSA-N 399.472 2.500 0 40 GFAB CCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22232920 RWURHFYWSIFOJP-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N1CCNC1=O 7872819 XWZWDFISTCVOFJ-NSHDSACASA-N 396.476 2.794 0 40 GFAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NCc2ccc(Cl)cc2)c2ccccc21 4045311 WBKKWHUNWRMIBV-QFBILLFUSA-N 384.819 2.816 0 40 GFAB biogenic O=C(NCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408708219 HRLMVRUAGYOZKZ-UHFFFAOYSA-N 391.427 2.507 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 64988549 LAIPMMMCKYTAOG-IBGZPJMESA-N 388.489 2.537 0 40 GFAB O=C1CCC(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)=NN1 4334044 KXHSVYGMZPZXKS-HXUWFJFHSA-N 375.384 2.901 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCc2ccccc21 8092900 RBRDUKSLHYHVHF-UHFFFAOYSA-N 387.867 2.808 0 40 GFAB COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 5274950 WIQUUPQOMDYKFR-SFHVURJKSA-N 381.432 2.807 0 40 GFAB COc1cccc(CCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 66683392 MNAWRKYLBUWKMA-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB Cc1cccc(N2CCN(C(=O)C[C@@H](NC(N)=O)c3cccs3)CC2)c1C 14287996 KZNAMKDSAQPRDU-MRXNPFEDSA-N 386.521 2.813 0 40 GFAB Cc1cc(C)c(OCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1 6552087 LYCGMRNKNVTNKT-UHFFFAOYSA-N 383.400 2.748 0 40 GFAB CCN(CC)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 5597801 HRDATZDLADDGRR-UHFFFAOYSA-N 386.823 2.993 0 40 GFAB O=C([C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccccc1)N1CCCC1 5505430 OKVNNXLOPKVJDA-KRWDZBQOSA-N 381.461 2.824 0 40 GFAB CN(Cc1ccsc1)C(=O)Cn1nnc(-c2ccccc2Br)n1 8197860 HVSSPEVJKRDSKU-UHFFFAOYSA-N 392.282 2.823 0 40 GFAB COc1cc2ncn(CC(=O)Nc3nc4ccccc4s3)c(=O)c2cc1OC 20722299 SUGUEBXCKWGLHG-UHFFFAOYSA-N 396.428 2.662 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1 8246596 LWQVFXZTMGUFBP-ACCUITESSA-N 376.453 2.731 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)cc1 15039131 CFJPEZZWVHWDBB-KRWDZBQOSA-N 383.492 2.991 0 40 GFAB CCOC(=O)c1oc2ccccc2c1CN1C(=O)c2ccccc2S1(=O)=O 5937797 ICAPIQGBZNMNAZ-UHFFFAOYSA-N 385.397 2.954 0 40 GFAB CCNC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 7117468 OATCBDJSKXJWRJ-GFCCVEGCSA-N 388.468 2.848 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 8778322 PYSGBMYBDRVZRK-INIZCTEOSA-N 383.448 2.749 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccccn4)C[C@@H]32)cc1 306124315 BMMYKKYWDIUCNR-VXKWHMMOSA-N 388.471 2.973 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCO3)c1C 9517026 JEUJGHAWINPTNL-LBPRGKRZSA-N 387.388 2.965 0 40 GFAB Cc1cccc(-c2ccc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)c(=O)[nH]2)c1 72283562 XQAZGTUFAAHBSC-CALCHBBNSA-N 397.519 2.968 0 40 GFAB CCOC(=O)C[C@H](C1=Cc2ccccc2O[C@@H]1C)c1oc(CO)cc(=O)c1O 72324858 RFRUVWQTFZXPFT-MLGOLLRUSA-N 386.400 2.739 0 40 GFAB biogenic CCOC(=O)C[C@@H](c1ccc(OCC(C)C)cc1)c1oc(CO)cc(=O)c1O 72324718 RHFSGHVQZMXXEX-KRWDZBQOSA-N 390.432 2.958 0 40 GFAB biogenic O=C(O)c1cnn([C@@H]2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)c1 95453976 RQYYLTJSOCFBGE-CQSZACIVSA-N 397.353 2.886 0 40 GFAB C[C@H](CS(C)(=O)=O)N(C)C(=O)CCSc1ccccc1Br 78994048 KSHYHUQKPTZYEL-LLVKDONJSA-N 394.356 2.823 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C)n(C)n1 95998432 GDNJCXUYNJGRFG-IBGZPJMESA-N 379.464 2.745 0 40 GFAB COC(=O)c1sc2nc(CN(C)Cc3cccc(OC)c3)[nH]c(=O)c2c1C 23777475 KZWDBNOCEBKNOJ-UHFFFAOYSA-N 387.461 2.720 0 40 GFAB Cn1cc(CN2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)cn1 306143578 YFZCGYMMSSKBCT-KRWDZBQOSA-N 380.477 2.765 0 40 GFAB COC(=O)c1cc(NC(=O)COC(=O)c2ccc(C=O)cc2)ccc1Cl 409178688 MSSBRGBXFZLNQE-UHFFFAOYSA-N 375.764 2.735 0 40 GFAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NC1CC1 36595015 GFMUMMGMHBSPCH-MRXNPFEDSA-N 388.855 2.547 0 40 GFAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 524225305 ARJQKQMGLAHVEB-SFHVURJKSA-N 391.519 2.672 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)[C@@]12C(=O)Nc1ccccc12 524734784 NTSQUOJVUUFZBS-JOCHJYFZSA-N 387.395 2.599 0 40 GFAB CC(C)n1ncc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)c1C(F)(F)F 60337273 UGDCCNPPUFRQDU-LBPRGKRZSA-N 382.386 2.918 0 40 GFAB Cn1nc(-c2ccc(Br)cc2)nc1S[C@@H]1CCS(=O)(=O)C1 217340650 CORGIZUSOZNBFI-LLVKDONJSA-N 388.312 2.524 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C1CN(c2nc3c(F)cccc3s2)C1 62023139 FVIOSPSXWXWMIP-UHFFFAOYSA-N 385.420 2.917 0 40 GFAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 70968875 CWEXDNPUJCYBME-LJQANCHMSA-N 376.815 2.832 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC[C@H](c3ccsc3)C2)cc1 675008424 XWIZXJHZVHOHAQ-ZDUSSCGKSA-N 390.486 2.580 0 40 GFAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218659745 LAVGVDDIQPWLTO-LZLYRXPVSA-N 379.865 2.624 0 40 GFAB Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCN(C)CC2)c(C)s1 32916501 ZCVVVNMKHSHWRC-UHFFFAOYSA-N 393.578 2.591 0 40 GFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2)c(C)c1 224678443 LZOQNDGSJIKBLL-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 223050737 YYTADSBGLUGPHH-UHFFFAOYSA-N 394.518 2.985 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2OC)cc1C 224645616 FACBODGTPKTKNM-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB COc1cccc(N([C@H](C)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 220154919 ABEIIRCJOMDOSH-OAHLLOKOSA-N 376.478 2.508 0 40 GFAB CSc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c1 223306172 HLDCYPVMEJPZJE-UHFFFAOYSA-N 380.491 2.676 0 40 GFAB CCc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 224985478 MHFRMJCTQGCNBJ-HNNXBMFYSA-N 389.521 2.983 0 40 GFAB COc1ccc(-c2nn([C@H](C)C(=O)Nc3cccc(C)n3)c(=O)cc2OC)cc1 96101035 OXPDVDOFAGFMQR-CQSZACIVSA-N 394.431 2.831 0 40 GFAB C[C@@H]1CN(C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)CC[S@]1=O 577235545 BQHQOUODCKDMNC-MZHQLVBMSA-N 395.912 2.677 0 40 GFAB CCOc1cc([C@H](N)c2n[nH]c(CCNc3cccc(OC)c3)n2)ccc1OC 95534408 QGJMWSAVRMRJKF-FQEVSTJZSA-N 397.479 2.923 0 40 GFAB O=S(=O)(N[C@@H]1CCC12CCN(CC1CCOCC1)CC2)c1ccccc1 96051670 ZYOULQABISIXEM-LJQANCHMSA-N 378.538 2.636 0 40 GFAB C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1)[C@@H]1CCCO1 583624079 LXBJTFYGITUEOF-JZXOWHBKSA-N 375.517 2.691 0 40 GFAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(C(=O)c1cnoc1)CC2 247829173 GWXQEMGWUYSXPN-KRWDZBQOSA-N 375.494 2.737 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)CSc3ccc(F)cc3)CC2)n1 253537664 CACJNVQBHYFGBX-UHFFFAOYSA-N 376.457 2.507 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1 257277195 NWVFLJQTGDFZMQ-BBRMVZONSA-N 391.855 2.730 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](c2ccnc(N3CC4(CCCCC4)OC3=O)c2)C1 257334480 YGBWLVVDDBFXAD-MRXNPFEDSA-N 393.509 2.880 0 40 GFAB Cc1cc(F)ccc1-n1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)nn1 678087283 WHBSIFFVWDMCAU-INIZCTEOSA-N 395.438 2.684 0 40 GFAB Cc1cc(CN2CCC(CNS(=O)(=O)c3c(C)noc3C)CC2)c(C)o1 43954126 QMBZWBJOZOKESI-UHFFFAOYSA-N 381.498 2.692 0 40 GFAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)c3nccn3C)nc(C)n2)s1 72360414 SOVMLJIUYADCBC-CYBMUJFWSA-N 398.496 2.653 0 40 GFAB COc1cc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(OC)cc1Cl 11650552 RCTNYHZKDUUYST-UHFFFAOYSA-N 395.795 2.723 0 40 GFAB COc1cc(CN2CCC(c3cc4cccnc4[nH]3)CC2)ccc1OCC(N)=O 12133388 FESPELTUAFRASK-UHFFFAOYSA-N 394.475 2.815 0 40 GFAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13678735 UPDPWLMGTMHMES-LLVKDONJSA-N 391.320 2.814 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 19132720 AXCJTLDZKQPVEQ-ROUUACIJSA-N 394.519 2.913 0 40 GFAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C)CC4)C2)cc1 19135907 SCTPXFWAHVPNQQ-SJLPKXTDSA-N 394.519 2.576 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)N(C)C)cc1 19136488 NSSHBEQZWSQENG-QGZVFWFLSA-N 380.496 2.763 0 40 GFAB Cc1nc(CN2CCN(C(=O)CC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)cs1 19285584 YXNXIDKGNMUUKE-AGXSTUJCSA-N 389.565 2.817 0 40 GFAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cn1 19525072 YTLHOTZVKIVRBB-AWEZNQCLSA-N 393.494 2.930 0 40 GFAB COc1cccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 19564311 AUSDYRGRRIHNOJ-UHFFFAOYSA-N 396.472 2.922 0 40 GFAB Cc1nc2sc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(C)c2c(=O)[nH]1 19665334 LOXIYTMDYQBSBK-JTQLQIEISA-N 385.445 2.864 0 40 GFAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)CCc2ccc(OC)cc2)n1 19709953 NLVTZYXAHOKMKL-QGZVFWFLSA-N 397.523 2.585 0 40 GFAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)C(=O)Cn3cccn3)cc2)C1 19711957 DUHUIMMHJZQQCA-RTWAWAEBSA-N 398.507 2.630 0 40 GFAB Cc1nnc(SCC(=O)N2CCC[C@@H]([C@H]3CC(=O)c4ccccc4O3)C2)o1 13265321 ZVUGLZBLEMMZDM-CXAGYDPISA-N 387.461 2.743 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)c3ccc4c(c3)ncn4C3CC3)CC2=O)cc1 19714285 IQTDJSWWVOVLBY-OAHLLOKOSA-N 390.443 2.915 0 40 GFAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1ccc(C(F)(F)F)nc1 1888897271 IPWSPSZIYANZGM-HNNXBMFYSA-N 376.338 2.750 0 40 GFAB CN(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 27150504 QATWMYUMBVWOSR-INIZCTEOSA-N 382.432 2.716 0 40 GFAB COc1ccc(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)cc1OC 16959954 NYANPUFLTWRWJW-UHFFFAOYSA-N 397.475 2.601 0 40 GFAB O=C(NCCn1nc(-c2ccco2)n(C2CC2)c1=O)c1cc2ccccc2[nH]1 211074002 DTROVBTUVXNPSN-UHFFFAOYSA-N 377.404 2.551 0 40 GFAB COc1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1 910017 ADBHXWFSFPPXEX-UHFFFAOYSA-N 382.424 2.666 0 40 GFAB O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2C12OCCCCO2 16489104 MXCGPGWSJZXSTP-UHFFFAOYSA-N 393.487 2.793 0 40 GFAB Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@@H](O)COc1ccccc1 28085229 XOPSTEXCRHHDKC-GOSISDBHSA-N 375.428 2.911 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)c2c(F)cccc2F)CC1 59371942 UEDSHXUYLRYMMP-LBPRGKRZSA-N 385.436 2.637 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 1353440 OQRSBLWMCACIOI-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB Nc1nc(Cn2cnc3ccc(Cl)cc3c2=O)nc(Nc2ccc(F)cc2)n1 31740836 IZTRFIQWSLHSQP-UHFFFAOYSA-N 397.801 2.748 0 40 GFAB CN(Cc1ccccc1)C(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4236964 VBUNZZDOPDHHED-LEFKJUFISA-N 389.536 2.582 0 40 GFAB biogenic,in-vitro Cc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1 4848196 FVMXMDQEIKHWLO-UHFFFAOYSA-N 382.464 2.667 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cc(C)ccc1C 7723504 WQOAGCPAIQLMSE-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 21236357 KHTGPYIYICOLJN-UHFFFAOYSA-N 376.460 2.601 0 40 GFAB O=C1C(=O)N(Cc2nc(-c3ccsc3)no2)C(=O)N1CCC1=CCCCC1 8313923 GHGWUVSGKDSKJC-UHFFFAOYSA-N 386.433 2.979 0 40 GFAB COc1ccc(C(=O)N[C@H](C(=O)OCc2nnsc2Cl)C(C)C)cc1 32774414 VEYQWXSTGVKWQH-ZDUSSCGKSA-N 383.857 2.698 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)COc1cccc(N3CCCC3=O)c1)OCO2 32768287 JTCGOJIRWWIYSW-UHFFFAOYSA-N 396.399 2.762 0 40 GFAB Cc1ccc(OCCNC(=O)NCc2nnc3n2-c2ccccc2CC3)c(C)c1 32803205 JPAHYIHENZMDCT-UHFFFAOYSA-N 391.475 2.861 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1cccc(Cl)c1 32828779 HJUJNTZUSLWLFV-ZMZPIMSZSA-N 375.812 2.577 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 9973875 LRJPKRWBSFWIFG-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 11999399 JXKYGUMQKWHIBL-OAHLLOKOSA-N 382.869 2.650 0 40 GFAB CC(=O)N[C@@H](Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl 872916 RKKVXVWEVRKSHH-AWEZNQCLSA-N 391.686 2.729 0 40 GFAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 810129 SVFJSPGPKBKHIS-HNNXBMFYSA-N 384.929 2.999 0 40 GFAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2ccc3nncn3n2)CC1 23081337 CIAWQAOCNVKZSZ-GOSISDBHSA-N 376.464 2.535 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC[C@H]1CCCO1 105288345 AJKCDHUTKXHRBJ-MRXNPFEDSA-N 396.443 2.895 0 40 GFAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC(N)=O)cc1 23347925 HMMWEWRJWPCWEM-UHFFFAOYSA-N 399.476 2.878 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)CCCNC(=O)c1cccs1 23323854 KCTVPTKGTFUJJU-UHFFFAOYSA-N 392.477 2.600 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4ccnc4C)nc3)CC2=O)c1 47275949 NYVGSDDYVZQSAM-HNNXBMFYSA-N 391.431 2.576 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 20110459 AQWFBFJTXFXBEC-ZDUSSCGKSA-N 382.432 2.917 0 40 GFAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)Nc4nccs4)cnc32)cc1 57486544 LWNRUKUMBSFIMV-UHFFFAOYSA-N 394.460 2.801 0 40 GFAB Cc1cccc(C)c1NC(=O)c1nc(S(C)(=O)=O)ncc1Br 27743566 LQCRVCSHQOHLLN-UHFFFAOYSA-N 384.255 2.512 0 40 GFAB CC(=O)[C@@H]1CC(C(=O)NCCCCN2CCC[C@@H](C)C2)=NN1c1ccccc1 58324896 LRRWRQSKOUHGAF-UTKZUKDTSA-N 384.524 2.839 0 40 GFAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 2359596 PZFLCKJJUSZAPB-UHFFFAOYSA-N 380.404 2.806 0 40 GFAB COc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccc(OC)cc23)cc1 2342529 VUFIYALZHDLLHI-UHFFFAOYSA-N 376.390 2.684 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)/C=C/c2cnn(C)c2)c1 12622208 NLVIQGLCHBZZPA-CMDGGOBGSA-N 390.509 2.719 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 20481515 ZKBSZXYQDXIDQR-UHFFFAOYSA-N 392.477 2.738 0 40 GFAB CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)N1C[C@@H](C)O[C@H](C)C1 48262622 QSADMAILZQLRPJ-LZJOCLMNSA-N 387.524 2.563 0 40 GFAB O=C(NCc1ccco1)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 48368360 ZRZQEFNWSDUQIO-UHFFFAOYSA-N 396.424 2.554 0 40 GFAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1 3431108 NZUMJGCVPWUEQT-UHFFFAOYSA-N 376.459 2.641 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(C(=O)c2cccs2)CC1 12946352 HURSKFIWKLGZQN-GFCCVEGCSA-N 379.432 2.811 0 40 GFAB CCc1ccc(-c2n[nH]c(SCC(=O)NC(=O)NCc3ccco3)n2)cc1 3551248 ISYAASMKXDOZPL-UHFFFAOYSA-N 385.449 2.745 0 40 GFAB CCN1CCN([C@@H](C)CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 48712894 LEQXQAKXZGBTSM-HNNXBMFYSA-N 391.510 2.883 0 40 GFAB COC[C@@H](C)n1c(SCC(=O)N[C@H](C)C(C)C)nc2ccccc2c1=O 6083542 PLHYHEMJURGAMX-ZIAGYGMSSA-N 377.510 2.857 0 40 GFAB Cc1cc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)no1 4285729 FBZNDWZZQFNHKW-UHFFFAOYSA-N 376.463 2.891 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccn(C)n1 28226878 IZDXQKDOMOCHJK-ZETCQYMHSA-N 380.168 2.906 0 40 GFAB Cc1ccc2nc(COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc(=O)n2c1 5428954 PVCWPINFJWKJLK-IBGZPJMESA-N 394.427 2.918 0 40 GFAB COc1cc(Cl)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 8708218 HAZVZXSYTFZBPV-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(N2CCCC2=O)cc1 7151095 ISBNYXAWTXXAPJ-UHFFFAOYSA-N 378.388 2.881 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@H](c2cc(Br)c3c(c2)OCO3)N1 7127100 QDSAKIMVDQPAEM-CQSZACIVSA-N 386.209 2.624 0 40 GFAB COc1ccc(OC)c(NC(=O)/C=C/c2nnc3c4ccccc4cnn23)c1 8881718 IHXSXKJAHDCSIG-MDZDMXLPSA-N 375.388 2.947 0 40 GFAB CCNC(=O)COc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 24625245 YSHMIMIHTPWQFT-UHFFFAOYSA-N 388.468 2.843 0 40 GFAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2Cc2ccccc2)C1=O 7398641 HPWMSRLGFPKCKX-JOCHJYFZSA-N 377.444 2.936 0 40 GFAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)cc1F 7675905 OBYFKRZWOMNUCL-UHFFFAOYSA-N 375.743 2.511 0 40 GFAB OCCNCCNCc1cc(Br)ccc1OCc1ccccc1F 23468456 HMPICSNTPMXKGR-UHFFFAOYSA-N 397.288 2.839 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1F 9154759 VRGGYUWYVPRNND-AWEZNQCLSA-N 394.468 2.641 0 40 GFAB Cc1cccc(-n2nnnc2Sc2ccc3nnc(C(F)(F)F)n3n2)c1C 9386766 CFHJXZCZPJFXPB-UHFFFAOYSA-N 392.370 2.887 0 40 GFAB COc1cccc(N2CCN(C(=O)CNC(=O)CC3CCCCC3)C[C@@H]2C)c1 89939364 IJCWGXQSIFFCSZ-KRWDZBQOSA-N 387.524 2.819 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)N1CC(c2nc3ccccc3s2)C1 79095333 YNANUJGMJHDUKI-UHFFFAOYSA-N 387.486 2.907 0 40 GFAB Cc1csc(CNC(=O)c2cn(-c3ccc(Br)cc3)nn2)n1 25099091 RCRAGUNZKSUOKP-UHFFFAOYSA-N 378.255 2.725 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 408553160 OILJMROSMCRJLJ-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(Br)cc2CNCCO)cc1 36612720 OJXDNYGHDJZTOZ-UHFFFAOYSA-N 393.281 2.857 0 40 GFAB COCC(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 32104170 JCQOOITVEDTLSD-UHFFFAOYSA-N 391.471 2.620 0 40 GFAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)OCO2 32088326 AHQAMIBKTHDICQ-UHFFFAOYSA-N 395.415 2.618 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 72378207 YLWMRFFFDFSOHC-QGZVFWFLSA-N 389.525 2.671 0 40 GFAB COCCOc1cc(CN2[C@H]3CC[C@@H]2Cc2nc(C)nc(O)c2C3)ccc1OC 72373025 BYYOUFNRUSEXSY-DLBZAZTESA-N 399.491 2.656 0 40 GFAB O=C(Cn1cnc2c(c1=O)CN(Cc1ccccc1)CC2)Nc1ccccc1F 49400714 LQJCHRHASFLJJF-UHFFFAOYSA-N 392.434 2.579 0 40 GFAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCN1CCCC1 225088633 FRAJAZJMQOHMJV-SILNSSARSA-N 381.476 2.961 0 40 GFAB COc1ccccc1C1=NO[C@@](C)(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 222283747 GBQWSWCKMRPAKU-SIKLNZKXSA-N 381.476 2.997 0 40 GFAB COc1cccc(OCC(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)c1 222795079 KBYUHBZYFJRYQX-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB CC(C)Oc1ccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 225785192 QVEIPGWQMWRKCR-UHFFFAOYSA-N 390.505 2.552 0 40 GFAB CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 226055826 YJNSAWJWAYESJO-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96241051 WJZVYVQFIFKGAA-LJQANCHMSA-N 394.475 2.659 0 40 GFAB CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 529420894 ZLMKPVOVFDIABY-GDBMZVCRSA-N 387.448 2.902 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCc2onc(COc3cccnc3)c2C1 96260083 QUOGJZJCZLDTKR-UHFFFAOYSA-N 389.408 2.535 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCc2c([nH]c3ccccc23)C1 96345293 DXLDUDFBIPWQLU-UHFFFAOYSA-N 376.460 2.578 0 40 GFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4)CC3)n2)cc1C 256048495 UAUULOMNKKIRBU-UHFFFAOYSA-N 377.448 2.909 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1F 253471391 BYGAIBLQKUIGQE-IBGZPJMESA-N 388.420 2.779 0 40 GFAB O=C(Cn1cccnc1=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257311821 ULDOPOWOUSSSOX-QGZVFWFLSA-N 398.850 2.839 0 40 GFAB Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)cn2)n1C 257248596 JEJBEYFISGWSMC-LJQANCHMSA-N 395.551 2.913 0 40 GFAB CCc1nnsc1C(=O)N1CC[C@@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257323920 WMKLPOVYLJTXOJ-ZDUSSCGKSA-N 398.492 2.867 0 40 GFAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(CC(C)=O)C1 19530013 AJRANGSYDNTGTF-IIBYNOLFSA-N 390.455 2.943 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N=c2cc[nH]cc2Br)cn1 666491766 BENAKTUQDJXWNV-CABCVRRESA-N 394.273 2.695 0 40 GFAB NCCCC[C@H](N)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 67677305 IEMAZXBSTJYARM-IBGZPJMESA-N 378.476 2.836 0 40 GFAB CN1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CCC12CCOCC2 1615589752 SXCGPGKVDZUSJH-UHFFFAOYSA-N 386.414 2.798 0 40 GFAB Cc1cccc(C)c1OCC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48248399 IQICCNURUYDFEY-UHFFFAOYSA-N 387.867 2.911 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccc(C)c(F)c2)no1 47852293 OQXXFYMSYQLGNE-SFHVURJKSA-N 380.423 2.857 0 40 GFAB Cn1ncc(Cl)c1C(=O)NC1(CNC(=O)c2ccccc2O)CCCCC1 1615611718 OXONJZMSAVMFJP-UHFFFAOYSA-N 390.871 2.642 0 40 GFAB CCCOc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 13999445 YVBSLWWJXFFJPO-MRXNPFEDSA-N 396.443 2.873 0 40 GFAB O=C(NCc1ccco1)NC[C@@H]1CCC[C@@H](CNC(=O)NCc2ccco2)C1 16430267 STTWEESENNJORW-HZPDHXFCSA-N 388.468 2.978 0 40 GFAB COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1O 19453683 HDQUMZNCJBYQMA-UHFFFAOYSA-N 398.507 2.709 0 40 GFAB CCc1noc(CC)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19521322 JKIPURJEPMHZFL-CQSZACIVSA-N 383.496 2.597 0 40 GFAB COc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc2c1 12088272 HQJYLVQYHZTDAW-UHFFFAOYSA-N 378.476 2.901 0 40 GFAB COc1ccc2sc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2c1 1888879086 BEOZPBKFMWVSRB-UHFFFAOYSA-N 386.477 2.700 0 40 GFAB NC(=O)CCN(C(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccc(F)cc1 25359573 YGBBPXKWYFSDNF-FQEVSTJZSA-N 383.467 2.741 0 40 GFAB COc1cccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037989190 YSOLVKJMADGJLG-OAQYLSRUSA-N 385.439 2.627 0 40 GFAB O=C(c1ccc2nn[nH]c2c1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565523639 SROMPUJQRBLGEF-UHFFFAOYSA-N 392.463 2.558 0 40 GFAB COc1cccc(CNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)c1 2952035 HHLBSAAHCPWISG-UHFFFAOYSA-N 395.459 2.575 0 40 GFAB biogenic CCc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)cc1 4316203 GRRANAKIMMSMKJ-UHFFFAOYSA-N 376.376 2.858 0 40 GFAB Cc1c(Cl)cccc1N1C(=O)[C@@](NC(=O)C2CC2)(C(F)(F)F)N=C1O 9420278 NAJDQNIPBOQNFD-AWEZNQCLSA-N 375.734 2.694 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13008714 VKUFOQOZIZYOGE-UHFFFAOYSA-N 387.505 2.548 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCNC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1 13603090 YUVVNXOYPIDUPT-MRXNPFEDSA-N 395.434 2.942 0 40 GFAB CCc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)cc1 15884265 KKNRFODUEDBMMQ-UHFFFAOYSA-N 376.416 2.697 0 40 GFAB C[C@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 19939323 JNPLFIHBGLMUDO-MRXNPFEDSA-N 376.460 2.726 0 40 GFAB Cc1ccc(NC(=O)Cn2c(NCCN3CCOCC3)nc3ccccc32)cc1 35587958 RLZVSENKLKYCPA-UHFFFAOYSA-N 393.491 2.728 0 40 GFAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1nc(-c2cccnc2)no1 40040815 LNLXWFYAPOUMMR-GFCCVEGCSA-N 391.387 2.605 0 40 GFAB CC/C(NCCCN(CC)CC)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20330424 WIAXFWJBKVDRSA-ISLYRVAYSA-N 386.496 2.563 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccnc2)c1 854135 JYYHMQLEOKFDQO-UHFFFAOYSA-N 381.885 2.696 0 40 GFAB CCCc1n[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 11464005 DFQGMVVCNWXYGR-UHFFFAOYSA-N 380.495 2.825 0 40 GFAB CCc1nc(CN2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cs1 45796425 QFGUAZLUHDURMX-UHFFFAOYSA-N 375.494 2.681 0 40 GFAB Cc1nn([C@H](C)C(=O)Nc2cnn(CC(F)(F)F)c2)cc1Br 2785110 KKHGAYLZZAWXJH-MRVPVSSYSA-N 380.168 2.913 0 40 GFAB Cc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)Nc1ccc(F)c(F)c1 4895767 FUSJCEGTONYHGL-SANMLTNESA-N 380.416 2.908 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 6154689 HQGWDLAHSZXVNI-UHFFFAOYSA-N 398.444 2.998 0 40 GFAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 6614603 IAJLDTBZRAFZIQ-UHFFFAOYSA-N 396.516 2.790 0 40 GFAB COCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O 6942320 WUYYIIQTVKYUMP-UHFFFAOYSA-N 375.494 2.584 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1c1ccsc1 46089433 XKLKLLDOIPQDAM-MRXNPFEDSA-N 387.505 2.802 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(CN(CC(=O)N2CCCCC2)C2CC2)cc1 29697600 WUVVNKYORDKMBV-UHFFFAOYSA-N 397.441 2.956 0 40 GFAB O=C(NCC1(c2ccccc2)CCC1)c1cccc(CN2C(=O)CNC2=O)c1 32901052 YRWIOAAIPDQZCB-UHFFFAOYSA-N 377.444 2.590 0 40 GFAB CCn1cncc1C(=O)N1Cc2nc3cc(-c4ccc(F)cc4)nn3c(O)c2C1 100215672 TUWGUAJYFGTVBS-UHFFFAOYSA-N 392.394 2.613 0 40 GFAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)c1 2687365 NEIGSXHQGAWWLH-UHFFFAOYSA-N 378.436 2.677 0 40 GFAB CCN(CC)C(=O)CSc1nnc(SCc2ccc(Cl)s2)n1N 22533013 BIEDQDMNAOHIKW-UHFFFAOYSA-N 391.975 2.960 0 40 GFAB C[C@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H]2C[C@@H]1C2(C)C 109024638 QNHJMTKJDFGIIU-HOSILWTGSA-N 397.493 2.528 0 40 GFAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccccc2OC)C3)c(OC)n1 100149441 WQTSZKUNBIKKBA-IRXDYDNUSA-N 399.491 2.622 0 40 GFAB Cc1ccc(C)c(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 22805269 HLHFNJXOCAQHEA-UHFFFAOYSA-N 379.504 2.995 0 40 GFAB CCOCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 55628893 PQZVUYZTQQCKNV-UHFFFAOYSA-N 392.477 2.652 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1F 24924852 UPBVKLNMAZZEQM-INIZCTEOSA-N 394.450 2.962 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 113947351 LKSOQPWWEGSDRM-RLLQIKCJSA-N 390.549 2.842 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](C)N1CCc2ccccc2C1 25631157 MCWTZNGPKOMEAD-INIZCTEOSA-N 396.487 2.840 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 25638129 UTLZIEUMUJQVFH-UHFFFAOYSA-N 398.937 2.763 0 40 GFAB CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@@H](c2ccccc2)C1 26938384 HZJBUGBPVGRTHN-NHCUHLMSSA-N 393.487 2.933 0 40 GFAB C=C1c2ccccc2C(=O)N1CC(=O)NC1CCN(Cc2ccccc2)CC1 10280892 AQAMOKZMXMIBDH-UHFFFAOYSA-N 375.472 2.894 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cc(C(N)=O)c(Cl)cc1Cl 7781571 ZHGLWZBWIGWUAY-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)s1 58214494 QVOOWSUHXJFTGC-MLGOLLRUSA-N 378.519 2.781 0 40 GFAB Cc1nc(CN2CCN(C(=O)[C@@H](c3ccccc3)n3cccn3)CC2)cs1 58266792 VXRLVWJOQSKMHH-LJQANCHMSA-N 381.505 2.582 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccs1 58312674 PCAGCRVVWDXXPQ-GFCCVEGCSA-N 377.418 2.562 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2[nH]1 7738486 KWFQCRGSZIYRSF-INIZCTEOSA-N 393.476 2.763 0 40 GFAB CC(C)c1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(C)C)c1 12601441 QFWSSONDXAVUHC-UHFFFAOYSA-N 382.464 2.563 0 40 GFAB O=C(COC(=O)c1cncc(Br)c1)c1ccc2c(c1)OCCO2 3319175 IFSFUGINYKHPGV-UHFFFAOYSA-N 378.178 2.655 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2ccccc2)CC1 36403518 PXZZJGKMYMQFFA-UHFFFAOYSA-N 379.504 2.965 0 40 GFAB CC1CCN(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)CC1 12745505 KWDYNLJTTOBUNF-INIZCTEOSA-N 388.493 2.678 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CCNS(=O)(=O)c2ccccc2)c1 48275176 ZAKHEFITHKLGNO-LJQANCHMSA-N 390.505 2.819 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)CCCC2 7829746 KMCJPFKMKSTOTB-OAHLLOKOSA-N 383.492 2.997 0 40 GFAB CNC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12821810 GHULRTAQZSIIGD-UHFFFAOYSA-N 394.522 2.738 0 40 GFAB COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7842541 OMCWWHPDFUNVGI-UHFFFAOYSA-N 385.388 2.500 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3595031 VUKDDSFBZRICCP-BMLIUANNSA-N 386.279 2.921 0 40 GFAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 16695093 YCSAADCBDVVPCD-LJQANCHMSA-N 393.487 2.977 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 408562759 BCCNWDMJFFHMRF-YVEFUNNKSA-N 384.354 2.987 0 40 GFAB COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc(Br)c1O 18156214 BGJJFKOKUTYQPH-AWEZNQCLSA-N 388.225 2.609 0 40 GFAB CCCOc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCCC)NN32)cc1 4369485 KMPAWXIRQXQFHI-MRXNPFEDSA-N 387.509 2.965 0 40 GFAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1 13943772 YUBDUBPKSCBWRN-UHFFFAOYSA-N 387.867 2.644 0 40 GFAB Cc1cnccc1-n1nc(C2CC2)nc1CCN1C(=O)COc2ccccc21 65407035 OOICMGKXOSNXMW-UHFFFAOYSA-N 375.432 2.816 0 40 GFAB COc1ccccc1[C@@H]1C=C(c2ccccc2)Oc2c1c(=O)n(C)c(=O)n2C 5483341 LNDZCSSLAQQMOM-INIZCTEOSA-N 376.412 2.658 0 40 GFAB Cc1ccc(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1 14201631 PNXWTFYXDHTBEA-CQSZACIVSA-N 378.519 2.920 0 40 GFAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)n3c(=O)oc4ccccc43)cc2)CC1 14347799 UHYKKHDRBCQZCM-MRXNPFEDSA-N 394.475 2.936 0 40 GFAB COc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 5837305 VEKMBGCAKKTCHC-UHFFFAOYSA-N 388.445 2.530 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCCCC[C@@H]32)C1=O 4915625 UENQICWJQRKPGH-OAHLLOKOSA-N 375.856 2.682 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(C(=O)c4ccco4)C[C@H]32)cc1 306136132 PKEYMSJMBXQRQA-RBUKOAKNSA-N 391.427 2.811 0 40 GFAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccccc1Cl 67285811 OLWPWAHIASSWSY-QGZVFWFLSA-N 377.872 2.997 0 40 GFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCOCC1 7141387 QZNBVFFRKFMFPE-UHFFFAOYSA-N 397.519 2.794 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 15613845 ULKYEFJKKCTZQB-UHFFFAOYSA-N 379.416 2.578 0 40 GFAB Nc1nc(COC(=O)c2cccc(Cl)c2N)nc(Nc2ccc(F)cc2)n1 8855649 QLDCYUJCSBHAMV-UHFFFAOYSA-N 388.790 2.929 0 40 GFAB COc1ccccc1CN(C)C(=O)CNC(=O)c1ccccc1Br 8993763 LMMBAMRYCFCMOJ-UHFFFAOYSA-N 391.265 2.846 0 40 GFAB COc1cccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 113967000 MRMSHYCPUMCXGJ-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB COc1ccc(NC(=O)[C@H](C)On2nnc3ccc(Cl)cc32)cc1OC 9390179 NYNJOGMATWMCBZ-JTQLQIEISA-N 376.800 2.558 0 40 GFAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NN4CCN(C)CC4)c(C)c32)c1C 9486291 VZQQXQHSCZWKFQ-UHFFFAOYSA-N 397.475 2.594 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2noc(-c3ccsc3)n2)cc1OC 97164883 AQRMPESGBITRJW-UHFFFAOYSA-N 381.435 2.925 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(O)cc1 72400357 PKNGAEBXVJSKRX-UHFFFAOYSA-N 388.855 2.516 0 40 GFAB COc1ncc(NC(=O)N(C)Cc2ccccc2Br)cc1C(N)=O 79110908 FWMQXZYRSDWNAB-UHFFFAOYSA-N 393.241 2.616 0 40 GFAB O=C(Nc1nncs1)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1 95975514 FINKISMPWLPDKZ-HUUCEWRRSA-N 385.424 2.637 0 40 GFAB Cc1cc([C@@](C)(O)CNC(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)c(C)o1 95993224 KPRCDHPLNKTIHF-PXAZEXFGSA-N 385.386 2.698 0 40 GFAB COC(=O)[C@@H]1C[C@H](N[C@@H](C)CCc2ccc(Br)cc2)CCN1C 95943613 QMHPGQIXSXBAOX-XKQJLSEDSA-N 383.330 2.996 0 40 GFAB CN(CCc1ccncc1)C(=O)/C=C/c1ccc(I)o1 95957809 LFIBOIDEYPRXBM-HWKANZROSA-N 382.201 2.994 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2Cl)C1=O 409227318 UZIYAOORTIEDDK-XNTDXEJSSA-N 385.807 2.880 0 40 GFAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC 20637637 QUFLEQWUHNHJDV-ZWKOTPCHSA-N 395.415 2.774 0 40 GFAB O=S1(=O)CCN(CCc2ccccc2)[C@H]2CCN(Cc3ccccc3)C[C@H]21 306130762 JOUOESSZYOVJJW-FCHUYYIVSA-N 384.545 2.603 0 40 GFAB O=C(c1cc2cc(Br)cc(Br)c2oc1=O)n1cncn1 31904096 QCGBYTOEPIZTMA-UHFFFAOYSA-N 398.998 2.598 0 40 GFAB Cc1nc(N2CCOCC2)ccc1NC(=O)c1ccn(Cc2ccccc2)n1 548135958 QYMPZIBZMHLIGX-UHFFFAOYSA-N 377.448 2.724 0 40 GFAB O=C(c1ccccc1)N1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1 36729326 SHTDGBUCYXMFCS-UHFFFAOYSA-N 398.470 2.837 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 72241289 FOHFOJLIXRZNPS-ZWKOTPCHSA-N 376.815 2.694 0 40 GFAB C[C@H]1CCN(c2cc(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)ccn2)C1 531217569 DBFPBRZLUFTKED-KRWDZBQOSA-N 392.503 2.962 0 40 GFAB COc1cc(C(=O)NCCc2nc(-c3cccs3)no2)cc(OC)c1OC 35673431 WHQNADVPNGRDCS-UHFFFAOYSA-N 389.433 2.796 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)N(C)Cc2ccc(C)cc2)Oc2ccccc21 216304507 HBKLABIBXKXOPY-IBGZPJMESA-N 388.489 2.571 0 40 GFAB CCc1ccc(N(CC(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1 223786871 PIJQXJCDCQBARB-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB CCN1CCN(C(=O)CCc2nc(-c3ccc(Br)cc3)no2)CC1 225820756 BNPDOTXYIOUYAC-UHFFFAOYSA-N 393.285 2.596 0 40 GFAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CCN(Cc2ccccc2)CC1 225724281 BFTGUKIVTKRSPM-UHFFFAOYSA-N 395.890 2.999 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 225938686 JHAQZCNATCGWKU-KZULUSFZSA-N 392.864 2.896 0 40 GFAB COC[C@]1(CNC(=O)c2ccncc2N2CCCC2)OCCc2ccccc21 568578715 CNIRBHDUECBDGF-QFIPXVFZSA-N 381.476 2.526 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC(C)C)c2)cc1 225595984 YNLMHJSQBRGRSN-UHFFFAOYSA-N 392.477 2.742 0 40 GFAB C[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(F)cc1 44934311 WVFCPKVCWJHAGY-SCLBCKFNSA-N 392.452 2.620 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 223869024 JWKJJMTWDBMURC-UONOGXRCSA-N 377.462 2.743 0 40 GFAB Cn1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n(-c2ccccc2)c1=O 77100570 VZXPRBCYHNHGDL-IBGZPJMESA-N 390.487 2.910 0 40 GFAB COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)nc2ccc(Cl)cn2c1=O 96114900 BMMBECHAMZYSOL-CQSZACIVSA-N 388.807 2.757 0 40 GFAB biogenic O=S(=O)(/C=C/c1ccccc1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 583623048 MUVQFAVXNKNFPR-PCCNWKQFSA-N 375.450 2.757 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1C 243821308 QVJAWXHZSARIIT-UHFFFAOYSA-N 382.526 2.567 0 40 GFAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCC(=O)O)[C@@H]3C[C@H]21 257314289 UWFHIUCOSZGPHM-UMHPPVOVSA-N 389.448 2.865 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)C)CC2)[C@@H]1c1cccc(OC)c1 257207147 BGNXXRDWGIZYGL-CTNGQTDRSA-N 387.524 2.547 0 40 GFAB COc1ncccc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257327792 XCTNWXYPKLTTJM-GOSISDBHSA-N 381.476 2.990 0 40 GFAB CC(=O)NC1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)CC1 257270406 MUCAGJVZIBZROY-UHFFFAOYSA-N 380.492 2.551 0 40 GFAB COc1ccc2c(c1)CN(C(=O)COCc1ncnn1C)[C@H](c1ccccc1)C2 585083197 DYLSBCTXXXPFMZ-FQEVSTJZSA-N 392.459 2.667 0 40 GFAB O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1csnc1-c1ccccc1 585138277 ARCZNJDYTGOCDH-HNNXBMFYSA-N 390.490 2.986 0 40 GFAB Cc1cccc(Nc2ccc([C@@H]3CN(CC(=O)N4CCCCC4)CCO3)nc2)n1 257302690 SDWOZIZQAFPCMG-FQEVSTJZSA-N 395.507 2.914 0 40 GFAB Cc1cc(OCC(=O)O)c2c(=O)c(-c3ccc(OCC(=O)O)cc3)coc2c1 263583757 YVOHOEKMKDSMBW-UHFFFAOYSA-N 384.340 2.695 0 40 GFAB O=C(O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc43)cc2)CC1 269045209 SHKVODGLAPAOLE-GOSISDBHSA-N 394.427 2.738 0 40 GFAB Cc1ccc(-c2cc3c(SCC(=O)N4CCOCC4)nccn3n2)cc1C 90610090 IREMJZYTBIOUOP-UHFFFAOYSA-N 382.489 2.964 0 40 GFAB O=C1Cc2ccc(CC(=O)N3CCC[C@]4(CC(=O)c5ccccc5O4)C3)cc2N1 628734146 DVWAUYVWVNRDOD-QHCPKHFHSA-N 390.439 2.750 0 40 GFAB CCOc1ccc(N(CC2CC2)C(=O)c2nnn(-c3ccn(C)n3)c2C)cc1 633757162 VWOWEBIWQQWJFN-UHFFFAOYSA-N 380.452 2.765 0 40 GFAB Cc1oc(-c2ccccc2)nc1CN1CCO[C@@H](CN(C)c2cccnn2)C1 607964913 QIYYMRBEZBUCLN-SFHVURJKSA-N 379.464 2.777 0 40 GFAB CO[C@](C)(CNS(=O)(=O)c1ccc(NC(C)=O)cc1C)c1ccccc1F 96123598 STZKOHJZSRHMTR-LJQANCHMSA-N 394.468 2.933 0 40 GFAB CCc1c(NC(=O)[C@@H]2CN(CC)C[C@H]2c2cn(C)cn2)cnn1C1CCCC1 1614996029 WFZORPIILPAPQH-IAGOWNOFSA-N 384.528 2.968 0 40 GFAB Cc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c3ncccc23)c(=O)[nH]1 12088247 DWJCIUXGPCCSKT-KRWDZBQOSA-N 387.443 2.977 0 40 GFAB COc1ccc(-c2nnc3s/c(=C\c4ccc(C)cc4)c(=O)n23)cc1OC 13547084 ZFQXWWUAOOVRGK-YVLHZVERSA-N 379.441 2.691 0 40 GFAB O=c1c2ccccc2nc(SCCN2CCOCC2)n1Cc1ccccc1 19372814 SWCUPSHOPGTQFH-UHFFFAOYSA-N 381.501 2.869 0 40 GFAB CCN1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1 19528059 BTBUZTWUIBAWLV-HXUWFJFHSA-N 380.471 2.587 0 40 GFAB Cc1c(-c2cc(C(=O)Nc3ccccc3OCCn3cccn3)no2)cnn1C 19554163 MDOCDBMBTCDFGK-UHFFFAOYSA-N 392.419 2.911 0 40 GFAB CN(C)C1CCC2(CC1)CN(C(=O)CCn1cccn1)Cc1ccccc1O2 19583996 SUMRLIZKWIMXKP-UHFFFAOYSA-N 382.508 2.937 0 40 GFAB Cc1cn2c(=O)c(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)cnc2s1 19660220 WOJKDPZOTUSNRF-HNNXBMFYSA-N 390.896 2.751 0 40 GFAB Cc1nonc1C(=O)N1CCO[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19692904 UPEPTNPULMHPOM-GOSISDBHSA-N 382.395 2.717 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)c(OC)n1 12233285 DEDQMFBQGVDKFA-FYINFDKHSA-N 387.455 2.753 0 40 GFAB CCN(CC)C(=O)COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 5017580 YXFCBZCMUSZCOW-UHFFFAOYSA-N 397.427 2.714 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 2056223227 KCBUOONZQCYNER-JOCHJYFZSA-N 381.524 2.950 0 40 GFAB CCCC[C@@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)C(C)=O 15082159 MESCDTQXFDMQFP-CQSZACIVSA-N 385.493 2.873 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)s1 23107872 CWMBFOLAIWLERK-CQSZACIVSA-N 386.564 2.724 0 40 GFAB Cn1nc(NC(=O)c2ccc3c(c2)OCO3)c2c1NC(=O)C[C@H]2c1cccs1 36705579 KJPBOIWVHLTPQK-NSHDSACASA-N 396.428 2.937 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1 43955266 ZTLDCCLVIPDWOO-UHFFFAOYSA-N 389.521 2.902 0 40 GFAB COC(=O)c1ccc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)cc1 206749924 AEJZDWLDTUYXSZ-UHFFFAOYSA-N 378.388 2.612 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1OC 40068776 DOSHKLRNRFWQGK-SFHVURJKSA-N 394.471 2.862 0 40 GFAB Cc1ccccc1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 40130695 BDRJPNMDOUWNNS-UHFFFAOYSA-N 376.478 2.653 0 40 GFAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccnc(N2CCN(C)CC2)c1 68320546 SISJOSQDNOAUGV-UHFFFAOYSA-N 393.491 2.743 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 800515 LDBCIKJZOGVAHP-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1cccnc1 905252 MASRPPMHZFOZOH-UHFFFAOYSA-N 386.506 2.943 0 40 GFAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)C(F)(F)F)c3nnnn3c12 1376777 DHRUWJXHFNNRLB-AWEZNQCLSA-N 393.369 2.656 0 40 GFAB Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3519331 UZXNCQJDRZKJOI-OAQYLSRUSA-N 381.407 2.856 0 40 GFAB Cc1nc(SCc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1 4138844 LPJMRDVMAWQGQQ-UHFFFAOYSA-N 396.394 2.647 0 40 GFAB COc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 11615539 OCTNSRWJADELBZ-UHFFFAOYSA-N 378.431 2.877 0 40 GFAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(c2ccccc2)CC1 4906309 OSIWUBJOHOFJOR-UHFFFAOYSA-N 387.483 2.847 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)C1=O 7470908 CTVBXMDLBLEVPR-NSHDSACASA-N 380.828 2.565 0 40 GFAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)S(C)(=O)=O)c1 10313871 OJNLWJCKQUHLMB-AWEZNQCLSA-N 390.461 2.795 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN1CCO[C@H](c3ccc(F)cc3)C1)C2=O 29894696 DNZZDLLTTHWSEQ-WSGJVKOYSA-N 375.444 2.657 0 40 GFAB CC(C)(C)c1cn2nc(N3CCC[C@H]3C(=O)NCC(F)(F)F)sc2n1 46484049 MYHFLLAXHAPCLV-VIFPVBQESA-N 375.420 2.736 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 102274429 YQPXLRZBYBIMPI-HNAYVOBHSA-N 379.460 2.655 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Br)cc1 102440317 RTLJAUTWTNNUJP-ZIAGYGMSSA-N 379.254 2.953 0 40 GFAB O=C(OCCCn1cncn1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 32933391 YKOCJWCHCKFVHJ-UHFFFAOYSA-N 398.423 2.974 0 40 GFAB Cn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(Cl)c3)nnc12 16320792 VAQMPKQKSJCXTN-UHFFFAOYSA-N 399.863 2.965 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(Cl)c(N)c3)ccc21 21944276 YFGGUJABUSRXPG-UHFFFAOYSA-N 387.823 2.627 0 40 GFAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H]2Cc3ccccc3O2)c1 33117804 PMARDOOIIFJZIK-MRXNPFEDSA-N 380.473 2.662 0 40 GFAB CC(C)n1c(=O)[nH]c2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2c1=O 33219205 XMHXTFQXKHVKND-MRXNPFEDSA-N 379.416 2.524 0 40 GFAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 22195920 PVTDDPDEVNSPMZ-KGLIPLIRSA-N 399.564 2.605 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cnc21 102867803 CKGGKLUODZZUAB-HOTGVXAUSA-N 383.452 2.516 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)N[C@H]2CCCOc3ccc(F)cc32)no1 53369074 UHWDYPYNEABYGM-AWEZNQCLSA-N 393.440 2.824 0 40 GFAB CCOc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 22805428 OJVVHPUITAVDSB-UHFFFAOYSA-N 395.503 2.777 0 40 GFAB CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)CC)CC3 100234842 COUIPBXVOKIXOB-QGZVFWFLSA-N 399.495 2.583 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H](C2)C3N2CCCCC2)cc1 100769038 CAGDCRCNGWPSHF-IRXDYDNUSA-N 378.538 2.970 0 40 GFAB CCN(Cc1ccco1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)s1 42319533 VCGJDEZEVYXFTH-UHFFFAOYSA-N 397.522 2.857 0 40 GFAB Cc1cccn2c(=O)cc(CSc3nnc(NC[C@H]4CCCO4)s3)nc12 23675245 UJGGFDSIFDCKJL-CYBMUJFWSA-N 389.506 2.738 0 40 GFAB O=C(Cc1cnn(-c2ccccc2)c1)NC1CCN(C(=O)c2ccccc2)CC1 42896669 FTSKDYKMOYZNGE-UHFFFAOYSA-N 388.471 2.836 0 40 GFAB O=C(CSc1nncn1C1CC1)N1CCN(Cc2ccc(Cl)s2)CC1 24496354 XOQCQOTVDYFRMQ-UHFFFAOYSA-N 397.957 2.764 0 40 GFAB CCOc1ccc(CN2CCN(C(=O)c3ccc(CNC(C)=O)cc3)CC2)cc1 24574090 AKDALUVXDFWACA-UHFFFAOYSA-N 395.503 2.679 0 40 GFAB O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1cnc(Cl)c(Cl)c1 24750851 VSPPSZRMFRUARR-UHFFFAOYSA-N 379.203 2.693 0 40 GFAB O=S(=O)(Nc1nc2cc3c(cc2nc1Cl)OCCO3)c1ccccc1 3289793 RJGXMYNAKHGAOL-UHFFFAOYSA-N 377.809 2.855 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)NCCSc3ccccc3)CC2)cc1 57336045 QJTWMEYMMHJCAJ-UHFFFAOYSA-N 397.544 2.920 0 40 GFAB O=C(CN1CCN(c2ccccc2O)CC1)NCCCSc1ccccc1 57614793 UOZVIWJYJHSSJU-UHFFFAOYSA-N 385.533 2.813 0 40 GFAB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 2052475 UWZUOERSUHKKSP-UHFFFAOYSA-N 389.502 2.861 0 40 GFAB CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 58264732 DKVRUUSRPAZQLS-UHFFFAOYSA-N 377.846 2.708 0 40 GFAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c1 8037951 VAMJKXDQBBXTKR-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB Cc1sc2nc(SCCC(=O)NC(N)=O)n(C3CCCC3)c(=O)c2c1C 12766281 VOUKVKFNBWQMBM-UHFFFAOYSA-N 394.522 2.867 0 40 GFAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)C[C@@H](C)C1 28199609 WBSPZVNSDVYDAL-BSXFFOKHSA-N 391.537 2.644 0 40 GFAB Cc1csc(=O)n1CC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10771675 GXZZKFVATDFVPT-UHFFFAOYSA-N 388.489 2.618 0 40 GFAB Cc1cccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 10971059 WAKCFYWFZCMJMA-INIZCTEOSA-N 395.459 2.596 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 10968248 YPKHCGXWPQAJFW-UHFFFAOYSA-N 379.464 2.952 0 40 GFAB CC[C@H](C)NC(=O)COC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 11062089 XIYXLQBQHBHDSN-NSHDSACASA-N 391.493 2.564 0 40 GFAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 48382874 LHBTUSJPJRQEOW-UHFFFAOYSA-N 394.424 2.939 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 3420907 CFCDKFSJQYXEHO-AWEZNQCLSA-N 383.448 2.795 0 40 GFAB O=C1O[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)Cc2ccccc21 12908267 URXDNEMKGZMXGM-IBGZPJMESA-N 390.395 2.930 0 40 GFAB O=C(COc1ncnc2sc3c(c12)CCC3)NC(=O)NCc1ccccc1 3600004 RQMFYGUUOWWSSD-UHFFFAOYSA-N 382.445 2.585 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NCC(C)(C)c3ccc4c(c3)OCO4)cnc12 65475733 DLQIEGXAXNHDJU-UHFFFAOYSA-N 393.443 2.528 0 40 GFAB COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCN(C)C)c(=N)c21 5349074 QLPZOIPFPSCMDP-LJQANCHMSA-N 392.459 2.924 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1nnc2ccccn12 18124013 CRGRHEHPFJSCNU-UHFFFAOYSA-N 384.802 2.946 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCSc4c(F)cccc43)ccc21 14228957 WIIYIQAKXBHNFR-CQSZACIVSA-N 399.447 2.816 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(F)c1 8705141 UTYAUKIDIKTWTB-UHFFFAOYSA-N 382.482 2.992 0 40 GFAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1N1CCOCC1 8706875 ONKOKWGPKCCQOT-UHFFFAOYSA-N 377.444 2.979 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccc2c(c1)OCO2 6604876 LMEHLYMBFPXQPB-UHFFFAOYSA-N 378.787 2.596 0 40 GFAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)c1 6810347 PSTGPGJFUBQRNI-KRWDZBQOSA-N 391.489 2.800 0 40 GFAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1 4906564 LMMWWTUCNNNIKM-UHFFFAOYSA-N 389.411 2.752 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N2CCc3ccccc32)cc1 67198644 RGACUEQQGYVTHA-UHFFFAOYSA-N 375.428 2.817 0 40 GFAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[C@H]3CCCO3)C2=O)cc1 7087561 BILAOSDZGZOUQT-LJQANCHMSA-N 396.443 2.678 0 40 GFAB CCCN(CCC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300882 CBXPMAWBNDXOLC-UHFFFAOYSA-N 389.471 2.541 0 40 GFAB COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)sc(C)c1C 71878935 AUOCHGYZECPIBY-VIFPVBQESA-N 378.372 2.501 0 40 GFAB CCN1C(=O)c2cccc3cc(S(=O)(=O)NCc4ccco4)cc(c23)C1=O 19943947 YLPJXNAZVYVYLM-UHFFFAOYSA-N 384.413 2.527 0 40 GFAB O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCC[C@@H](O)C(F)(F)F 72288832 UYZCQJSRYKMLKR-CYBMUJFWSA-N 388.367 2.511 0 40 GFAB CC(=O)NCCc1ccc(S(=O)(=O)N2CCCc3ccc(F)cc32)s1 84753119 DOPQXLGJIFAIAF-UHFFFAOYSA-N 382.482 2.707 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408595096 TVLGOJIUFRRMPG-GJZGRUSLSA-N 382.526 2.980 0 40 GFAB O=C(NC(=S)Nc1ccccc1N1CCOCC1)C(Cl)(Cl)Cl 32115546 NEFCYUHBSFCCMO-UHFFFAOYSA-N 382.700 2.706 0 40 GFAB CN(C)c1ccc(Cl)cc1NC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 548678425 UJSSFKFXEWABNN-AWEZNQCLSA-N 399.886 3.167 0 40 GFAB COc1cccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)c1 408622944 XAHPURRGVUKVDI-UHFFFAOYSA-N 392.521 2.546 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218429769 BXDKZJQBEPJDEQ-LNLFQRSKSA-N 393.892 2.849 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218539200 XUSSLGPJXZAMDG-AOIWGVFYSA-N 378.421 2.791 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(OC)c3)cc(C(C)C)nc21 32032387 CZOMGPUONWHVKK-UHFFFAOYSA-N 396.447 2.879 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(I)cc1 31038218 XEZWGSMHURYAMN-CYBMUJFWSA-N 395.196 2.861 0 40 GFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223349820 CSNUDXYFBHFSCK-JTQLQIEISA-N 378.837 2.925 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 222918973 RBFPMQTXPVPJOI-LSDHHAIUSA-N 376.478 2.727 0 40 GFAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)nc1 223566412 RIMXLEWUUBHWAR-RBUKOAKNSA-N 379.489 2.541 0 40 GFAB CCN1CC2(CCN(C(=O)CC(C)C)CC2)COc2ccccc2S1(=O)=O 96145116 LPTDGYGATCOTLH-UHFFFAOYSA-N 394.537 2.745 0 40 GFAB O=C(NCc1ccncc1)C1=NO[C@@]2(CCCN(C(=O)Nc3ccccc3)C2)C1 96225290 VCJLMAUMWJSLQH-NRFANRHFSA-N 393.447 2.541 0 40 GFAB O=C(COCc1ccccc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 252572390 ZFFAMLOOKFWYJH-UHFFFAOYSA-N 394.397 2.797 0 40 GFAB O=C(CCN1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCOCC1 257299308 RPMYKICAIACPQV-OAQYLSRUSA-N 399.466 2.510 0 40 GFAB CC[C@@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)O 256027980 MLMSWCIYLVQOMX-QGZVFWFLSA-N 381.384 2.818 0 40 GFAB COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 592199196 SOCBPGNMVWDSSM-ROUUACIJSA-N 382.460 2.538 0 40 GFAB CC1(C)CN([C@H](CNc2nc(C(=O)O)co2)c2ccc(Cl)cc2)CCO1 649388374 VJLWNMCLWJXMFJ-OAHLLOKOSA-N 379.844 3.290 0 40 GFAB CCOc1ccc(OCC)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)c1 96098610 JJGQFTKARPYABI-UHFFFAOYSA-N 394.497 2.758 0 40 GFAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1 96122037 NCDKULFQCWIDPG-UHFFFAOYSA-N 393.530 2.797 0 40 GFAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2n[nH]c4c2CCC4)C3)n1 575403827 OSEJIDADDDBOGR-OAHLLOKOSA-N 384.505 2.519 0 40 GFAB COC[C@H]1CN(C(=O)c2ccsc2)CC12CCN(C1CCOCC1)CC2 585103903 SYWURNPGTMLVFE-QGZVFWFLSA-N 378.538 2.728 0 40 GFAB COc1ccccc1NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1 77198054 UONMEWOGKUECNC-UHFFFAOYSA-N 384.358 2.915 0 40 GFAB C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@@H]2CCCN2)nn1 646273308 PQDRWRAPYBSKSG-RYUDHWBXSA-N 382.295 2.698 0 40 GFAB C=CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c1 1629190364 ZKTWQAOGWIAGRA-NHYWBVRUSA-N 390.486 2.910 0 40 GFAB Cc1noc(C)c1C(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086423 JRTYMYVXRHOLOL-IERDGZPVSA-N 383.448 2.926 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2Cc1cccc(F)c1 12366338 IFABXGHSNJZFHP-QIDMFYOTSA-N 383.467 2.818 0 40 GFAB NC(=O)CCN(C(=O)COC(=O)c1ccc(Cl)s1)c1ccc(F)cc1 16759385 PAUOJSRNLRSFCY-UHFFFAOYSA-N 384.816 2.606 0 40 GFAB CN(C)CC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 19084025 YJHPTRKRIHZOTG-SOUVJXGZSA-N 397.514 2.971 0 40 GFAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1)c1ccc2c(c1)CCCO2 19458845 NYQKBGRPMYVAJC-KXBFYZLASA-N 379.460 2.633 0 40 GFAB CCn1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19523943 YYGCXNQRHMSLEF-KRWDZBQOSA-N 384.528 2.665 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N(C)C)n[nH]1 19665304 IEAAGKLMQKVEDU-SFHVURJKSA-N 386.887 2.805 0 40 GFAB CC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)CC1 19694151 YDCPTRRCFGKMEC-UHFFFAOYSA-N 395.507 2.671 0 40 GFAB O=C(O)c1cccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)c1 16901036 IQQGEJLMKGAYTH-CQSZACIVSA-N 389.205 2.891 0 40 GFAB CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(F)c(Cl)c1)CC2 581620665 HJFOEMNNJLFDIV-UHFFFAOYSA-N 389.861 2.506 0 40 GFAB CSc1ncc(C)c(OCC2CCN(c3ccc4nnc(C)n4n3)CC2)n1 1888903736 JDRHKMSKWZVFSS-UHFFFAOYSA-N 385.497 2.548 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc2c(c1)OCCO2 23918146 HPOCOLJSSANDEM-GOSISDBHSA-N 379.420 2.765 0 40 GFAB CN1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 30030303 AESJZYHNMMIDSZ-SFHVURJKSA-N 392.908 2.629 0 40 GFAB O=C(c1cncc(F)c1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037989117 WCLNTBXULWLUOI-OAQYLSRUSA-N 383.423 2.649 0 40 GFAB Cc1ccc(-n2ccn3c(=O)n(Cc4cccc(Cl)c4)nc3c2=O)cc1C 252490864 LDHJPCVMGGIQMX-UHFFFAOYSA-N 380.835 2.965 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1 5136888 ZVYPTARDMGNFMW-UHFFFAOYSA-N 394.518 2.816 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)n(C)n1 12443980 NNPWSNSETGMOAE-CQSZACIVSA-N 376.482 2.544 0 40 GFAB CCc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCN(C)CC2)cc1 22577896 MCBOBGFVOVKRJL-QGZVFWFLSA-N 385.537 2.958 0 40 GFAB COc1cccc2cc(C(=O)N3CC[C@@H](S(=O)(=O)Cc4ccco4)C3)oc12 206691505 RSVZZDPDWBWRSG-OAHLLOKOSA-N 389.429 2.864 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(c2ncccn2)CC1 43955538 WHUAPCHCGWNRQF-UHFFFAOYSA-N 380.901 2.633 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](Oc2ccncc2)C1 575612082 JAOJFBDHVDNGAG-QGZVFWFLSA-N 378.498 2.708 0 40 GFAB COc1ccc(Br)c(C(=O)NCCn2ccc3ccoc3c2=O)c1 244933319 CMBFSYXHLRHHNH-UHFFFAOYSA-N 391.221 2.796 0 40 GFAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 100322678 AUTCQXVTOIJYOT-CWFLGGNWSA-N 399.488 2.557 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(C(=O)N2CCCCC2)CC1 40082855 RDHOUOOBOSYSGB-UHFFFAOYSA-N 385.443 2.580 0 40 GFAB CCOc1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1OCC 7973722 GSYZENFSKZYHIX-UHFFFAOYSA-N 395.459 2.553 0 40 GFAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H](C(=O)O)c3ccccc3)c(=O)oc2c1 20412611 JKTAMJMOMNPXKG-IBGZPJMESA-N 381.384 2.600 0 40 GFAB biogenic CCOC(=O)c1cnc(SCC(=O)Nc2cccc(Cl)c2C)nc1N 872576 BUHXLWIZFNPXDU-UHFFFAOYSA-N 380.857 2.928 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)N1CCCCC1 905319 LCTMFTNDCFMAIZ-AWEZNQCLSA-N 376.482 2.822 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1 31776304 INUYBQVARGGSPR-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1Cl)CN2 20572631 RPWWJTIGXYXSKK-UHFFFAOYSA-N 386.814 2.704 0 40 GFAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cccc(O)c1 3523519 LPWGOICFMNAYNF-UHFFFAOYSA-N 375.178 2.520 0 40 GFAB CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(F)c1 4036025 XSYOZNUYWURFOD-GOSISDBHSA-N 375.425 2.895 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(O)c2)cc1 6053268 SBNISOXMKJSOKA-GOSISDBHSA-N 383.404 2.676 0 40 GFAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCCc1ccc(Cl)cc1 6823574 IQYXUIBXQBOQMQ-UHFFFAOYSA-N 397.909 2.547 0 40 GFAB COc1ccc(CNC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 21360748 JRKRLWVBOOQQEO-UHFFFAOYSA-N 384.480 2.725 0 40 GFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2ccc(Cn3cncn3)cc2)c1 32795265 OEPCZGQOJDWXIP-OAHLLOKOSA-N 392.463 2.845 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)s1 32774314 ZPJYOEKMIZUREW-JTQLQIEISA-N 382.388 2.635 0 40 GFAB COc1ccc(C(=O)NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 2623085 LIVUZDUSDCAHAJ-UHFFFAOYSA-N 398.440 2.737 0 40 GFAB O=c1/c(=C\c2ccc3c(c2)OCO3)sc2nnc(-c3ccccc3Cl)n12 9189075 QIBOFVACARMDDP-OVCLIPMQSA-N 383.816 2.748 0 40 GFAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4ccc(C)cc4n3)C(=O)[C@@H]2C)cc1 32957682 IOFOHAGWWOWDEG-HNNXBMFYSA-N 376.416 2.669 0 40 GFAB CCOC(=O)c1ccc(N[C@H](c2ccccn2)c2oc(CO)cc(=O)c2O)cc1 937982 LKVSNFRGCRPUIX-GOSISDBHSA-N 396.399 2.611 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 12196673 CFYKPAMZRTYWHH-LLVKDONJSA-N 388.898 2.711 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104673163 KWLAVIHUHLYEEO-WBTNSWJXSA-N 383.448 2.549 0 40 GFAB C[C@H]1C(=O)[C@]23[C@H]4[C@H]5C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H](O)[C@@]41CO5 100359491 ROMZGRYIOOHATE-CJPGFHFUSA-N 390.520 2.934 0 40 GFAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)CCn3cncn3)n2)cc1 23766101 PUXPDOAMJNBLIK-GFCCVEGCSA-N 384.465 2.628 0 40 GFAB O=C1C(=O)N(CN2CCC[C@@H](C(F)(F)F)C2)c2cc3c(cc21)OCCCO3 24573942 UCJZHQMZHFSHPT-LLVKDONJSA-N 384.354 2.609 0 40 GFAB O=C(CCN1CCC[C@@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 24880416 COOYACSVPNIEFD-CQSZACIVSA-N 390.509 2.561 0 40 GFAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC1 25258941 IIJWIHDTBYEIFE-UHFFFAOYSA-N 398.459 2.715 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)NC[C@H](c1cccs1)N1CCOCC1 25499828 FHJSIKWDHYTQDN-LJQANCHMSA-N 386.517 2.805 0 40 GFAB CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(-c2nnnn2C)c1 59854871 DOGXMHMDESRYGA-UHFFFAOYSA-N 379.424 2.659 0 40 GFAB C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cc(Br)cn1 28304925 IXWREPYUUCRPQH-GFCCVEGCSA-N 381.249 2.695 0 40 GFAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc21 20215046 XTHWACXNMWPXCO-UHFFFAOYSA-N 375.450 2.652 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1 57750245 IGEUCBMCQDSTAU-OAHLLOKOSA-N 382.869 2.650 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCCc3cc(OC)ccc32)cc1 27065037 MMXCKCKGTFQZBJ-UHFFFAOYSA-N 388.489 2.515 0 40 GFAB CC(C)Oc1cccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)c1 58217803 RILCNFALFYUSSV-UHFFFAOYSA-N 375.513 2.728 0 40 GFAB NC(=O)c1ccc(Cl)cc1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 58364847 DMRZDYCLLMHQQZ-UHFFFAOYSA-N 383.835 2.884 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C[C@@H](C)O1 27969949 YDAYZUZNIGQXMB-CHWSQXEVSA-N 378.270 2.943 0 40 GFAB O=c1c(-c2cccs2)[n+]([O-])c2ccccc2n1OCc1nc2ccccc2[nH]1 2314445 VNFWRGXZFQHRMW-UHFFFAOYSA-N 390.424 2.869 0 40 GFAB Cc1cc(C)n(CCCNC(=O)CCCn2cnc3c(C)cccc3c2=O)n1 13003713 OISSCPIYPFVKOW-UHFFFAOYSA-N 381.480 2.505 0 40 GFAB CCCCCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C 13511770 GNTXEIJHCXPEBC-UHFFFAOYSA-N 389.887 2.738 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(/C=C/c4ccccc4)[C@H]3C2=O)cc1 13692627 DIHZOXZKSINMGQ-KASMDDHJSA-N 376.368 2.570 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1/C=C/c1ccccc1 4318582 VSLFZEBFPWQYRR-OOCSTFOJSA-N 386.473 2.866 0 40 GFAB O=C(CCC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 24995350 GPFQURYBOQUPRJ-UHFFFAOYSA-N 382.254 2.778 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc1C 4511095 CKDHGTDXLYPGHV-NSHDSACASA-N 391.424 2.759 0 40 GFAB CCc1ccc([C@@H](NC(=O)CCn2cnc3c(cnn3C)c2=O)C(C)C)cc1 14240050 QHCXWOONUSNQCV-IBGZPJMESA-N 381.480 2.596 0 40 GFAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nc(-c2ccccn2)cs1 71289040 HGIGFYNZTYIOII-UHFFFAOYSA-N 379.449 2.831 0 40 GFAB CCNC(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 6882158 MQEIPQXLQLNOBM-UHFFFAOYSA-N 390.436 2.849 0 40 GFAB COC(=O)Cc1c(C)nc2nc(NCc3cccc4ccccc34)nn2c1O 18219959 GHPGVKGYEDDDDP-UHFFFAOYSA-N 377.404 2.619 0 40 GFAB COc1cc(CC(=O)OCC(=O)NC2CCCCCC2)cc(OC)c1OC 7653827 MDAKFJLAJUKMSC-UHFFFAOYSA-N 379.453 2.637 0 40 GFAB COc1ccc(OCc2nnc(SCCn3c(C)csc3=O)n2C)cc1 8921744 REEPEXWZEYXIBH-UHFFFAOYSA-N 392.506 2.727 0 40 GFAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)C1=O 19797416 LHCPMQJWVBZIRF-UHFFFAOYSA-N 398.484 2.588 0 40 GFAB O=C(Nc1cc(=O)[nH]c2nc(COc3ccccc3)nn12)c1ccc(Cl)cc1 9356649 BEXICIWLDBXJPD-UHFFFAOYSA-N 395.806 2.902 0 40 GFAB S=C1N(c2ccccc2)CN(CCN2CCOCC2)CN1c1ccccc1 19899414 FVTIMTHDYXKJPC-UHFFFAOYSA-N 382.533 2.847 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cc1cccc(F)c1 9722758 UOSJPLSAWUROBP-CQSZACIVSA-N 383.423 2.591 0 40 GFAB O=C(O)CCc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)nc1O 71801829 VXSNDFQCDDSKDF-UHFFFAOYSA-N 376.369 2.681 0 40 GFAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(=O)O 409081128 NAPRVERKHXEVGI-GDNBJRDFSA-N 388.420 2.774 0 40 GFAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72331290 XVLIMLOQTCETDZ-UHFFFAOYSA-N 390.361 2.759 0 40 GFAB CNC(=O)c1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 95451752 OHKOAUSNPUQTCC-VQTJNVASSA-N 387.911 2.861 0 40 GFAB O=C(/N=c1\[nH]nc(Cc2ccc(F)cc2)[nH]1)C1(c2ccccc2)CCOCC1 95473253 MFWYUFQRHRTTIA-UHFFFAOYSA-N 380.423 2.643 0 40 GFAB CCc1cc(S(=O)(=O)NCc2nc(-c3cccs3)no2)ccc1OC 95470735 FWYLYWYQPILTCD-UHFFFAOYSA-N 379.463 2.848 0 40 GFAB O=C(Nc1nncn1-c1ccccc1)[C@H]1CCn2c(cnc2C(F)(F)F)C1 95993278 ZQNUKNMIEMFURW-NSHDSACASA-N 376.342 2.684 0 40 GFAB C[C@@H](C(=O)NCCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 408558125 QAFPHYMCPBXCLI-AWEZNQCLSA-N 380.897 2.853 0 40 GFAB CC(=O)Oc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 26779413 YOAQPNHBUJSENS-GZTJUZNOSA-N 377.425 2.599 0 40 GFAB CN1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464358 FORZKFLWJCMMRG-HOTGVXAUSA-N 398.463 2.907 0 40 GFAB biogenic,in-vitro CCOc1ccccc1-n1ccn(CC(=O)Nc2c(C)cccc2C)c(=O)c1=O 67256613 ULBFZUHSQKFQLB-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB O=C(Cc1noc(C(=O)NCCc2ccccc2)n1)Nc1ccc(F)cc1F 36359912 PHLCNVZZJYADSY-UHFFFAOYSA-N 386.358 2.502 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@@H](CO)CCSC)cs2)cc1OC 36569403 HBMIIQBJOOYIHM-CYBMUJFWSA-N 396.534 2.600 0 40 GFAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1onc2c1CCCC2 529920085 ZUYRVAOCFYXBAF-CQSZACIVSA-N 377.803 2.881 0 40 GFAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1F 71980403 PRXOJUUGCLXGTD-HNNXBMFYSA-N 384.835 2.607 0 40 GFAB CCN1CCN([C@@H](c2ccc3ncccc3c2)c2nnnn2C(C)(C)C)CC1 35291328 JDQZGOHVRIZVOS-IBGZPJMESA-N 379.512 2.703 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H]1COc2ccccc2O1 31042440 MOXYCBMXSPBKAB-KRWDZBQOSA-N 391.427 2.628 0 40 GFAB Cc1ccccc1-c1cc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)n[nH]1 223341071 PLAXWOQSFXLBFG-UHFFFAOYSA-N 398.444 2.939 0 40 GFAB COc1ccccc1CNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225231722 JLXSOQCIKDWNCQ-UHFFFAOYSA-N 380.491 2.854 0 40 GFAB COc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222479677 LXSWRTOJVSYEDY-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)s1 225653360 WKDBEINTNSZRPH-LLVKDONJSA-N 381.479 2.826 0 40 GFAB CCOc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225946426 GXDMDNTWAFBGTI-KRWDZBQOSA-N 380.441 2.844 0 40 GFAB CCN(CC)[C@H](C)CNC(=O)c1ccc(F)cc1I 48106184 WYOCSFDDQLTGKY-SNVBAGLBSA-N 378.229 2.890 0 40 GFAB Cc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)nc2)no1 42380486 AOWMYCPCWSPFMA-OAHLLOKOSA-N 393.447 2.556 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222422047 XRTPVOBSFBTYKY-HNNXBMFYSA-N 376.478 2.588 0 40 GFAB COc1ccc(NC(=O)c2ccc3ccc(N4CCN(C(C)=O)CC4)n3c2)cc1 96155973 BHBZMANFDDSJBL-UHFFFAOYSA-N 392.459 2.869 0 40 GFAB CC(C)OCc1ncn2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CCC2 96259946 ZNPJITSPEXYYPP-UHFFFAOYSA-N 385.436 2.681 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 243312013 LIFZBAMRLHQKDT-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB NC(=S)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515716 MXTLARLGSJBSQP-ARFHVFGLSA-N 395.889 2.911 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1 251048109 BYJNCLLKHTYJLV-FFZOFVMBSA-N 390.549 2.842 0 40 GFAB O=C(CCn1cccn1)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 257276233 NSXOIKUQBWJXKD-WKILWMFISA-N 380.452 2.808 0 40 GFAB O=C(c1ccc(S(=O)(=O)NCCCc2ccccc2F)cc1)N1CCCC1 252510420 ZJXXNQHRQZEYEQ-UHFFFAOYSA-N 390.480 2.973 0 40 GFAB Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[C@@H](C(=O)O)NC4)cc3)nc12 657219682 JRJXAVHVIOQQAL-WBVHZDCISA-N 378.432 2.701 0 40 GFAB CC(C)(C)OC(=O)C1CCC(O)(Cn2nc(C(F)(F)F)ccc2=O)CC1 601958688 NWSMCYRAMBHTQL-UHFFFAOYSA-N 376.375 2.525 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2=NCCS2)c1 44817592 YQKZINNAXRDFMI-UHFFFAOYSA-N 389.502 2.734 0 40 GFAB CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)c1 89331462 URPQPBFLCMBCGA-GOSISDBHSA-N 379.416 2.681 0 40 GFAB COCCC(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccncc2)cc1 12222399 NZXPLXCMADCRTL-UHFFFAOYSA-N 391.475 2.924 0 40 GFAB COc1cccc(CCc2nnc(NC(=O)c3ccc(C)n(C)c3=O)s2)c1 19131919 BGNHZRCMXVUBCD-UHFFFAOYSA-N 384.461 2.591 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19345627 DTJUQVXIXMAFCX-HXUWFJFHSA-N 390.531 2.950 0 40 GFAB CN1CCc2nc([C@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 19590503 PFTYEGPISJSKEX-LJQANCHMSA-N 390.491 2.637 0 40 GFAB COCC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3ccc(OC)cc3)nn12 19592695 UPWWUKRFPBCYCC-KDOFPFPSSA-N 378.432 2.640 0 40 GFAB O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cc(-c2ccc(F)cc2)no1 19659468 DPZKYDFZOHBXTJ-IBGZPJMESA-N 396.422 2.679 0 40 GFAB CC(=O)N1CCN(c2cc(C)nc([C@H]3CCN(C(=O)CC4CCCC4)C3)c2)CC1 19705299 GTVMWLKPLVPLGD-FQEVSTJZSA-N 398.551 2.955 0 40 GFAB CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 19930637 BSHDQZBBFQOQIV-UHFFFAOYSA-N 386.473 2.901 0 40 GFAB Cn1nc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)c2ccccc21 225737654 HVPVBGLYJOZVCH-UHFFFAOYSA-N 390.491 2.641 0 40 GFAB CC(C)(C)Nc1c(C2CCN(C(=O)CN3CCCC3=O)CC2)nc2ccccn12 12087453 OMMAZTFNXSTTOP-UHFFFAOYSA-N 397.523 2.873 0 40 GFAB CCc1nc(O)c2nnn([C@@H]3CCCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)c2n1 12119488 OSDAJFAFCITAQG-GDBMZVCRSA-N 394.479 2.765 0 40 GFAB CCc1nccn1CC1(O)CCN(C(=O)c2cc3cc(C)ccc3n2C)CC1 19523616 FOQHOMLCTGWIIW-UHFFFAOYSA-N 380.492 2.913 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2ccco2)Nc2ccccc21 257205217 AYCYNRZLBKZXGW-OLMRKFRDSA-N 379.460 2.926 0 40 GFAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)[C@H]1COc2ccccc2O1 575605387 FAMHYMMTOUKULO-CQSZACIVSA-N 379.363 2.819 0 40 GFAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2Br)o1 5102597 UCVKCRZSMFWIAF-UHFFFAOYSA-N 399.270 2.825 0 40 GFAB O=C(c1cncc(Br)c1)N1CC[C@@H](COc2ccc(F)cn2)C1 1889136322 LUUZBPYDTNZEQS-LLVKDONJSA-N 380.217 2.919 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)CC1 23588482 TXLQWELTEZFWFO-AWEZNQCLSA-N 393.944 2.874 0 40 GFAB Cc1c(C(=O)O)cccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C 287339310 WPIYARZDMRFBNA-MAUKXSAKSA-N 388.489 2.635 0 40 GFAB c1nc(C2CCC2)cc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)n1 2087131236 LIEPSXDKCPDOBC-UHFFFAOYSA-N 380.496 2.755 0 40 GFAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 2087133001 MJFLXGVDGAMBTR-NSHDSACASA-N 384.406 2.616 0 40 GFAB COc1ccccc1CCNC(=O)CSc1ccc(-c2ccncc2)nn1 4358239 FFQPJXCVTTVNIN-UHFFFAOYSA-N 380.473 2.998 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)o1 12377552 UYKNNKSISDKNSQ-HEHGZKQESA-N 384.379 2.857 0 40 GFAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccc(Cl)c2)C1 2055747052 ANBYWBLKRQGQOB-QXAKKESOSA-N 399.878 2.671 0 40 GFAB COc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2=O)ccn1 1775973587 OMYNMTUZEVMINC-UHFFFAOYSA-N 379.338 2.598 0 40 GFAB O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1ccccc1Cl 206638866 WTWFNBLOUOVMPM-UHFFFAOYSA-N 398.854 2.917 0 40 GFAB COc1ccc(CCC(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)c(OC)c1 206964937 ZSLULSPNDFNARV-QGZVFWFLSA-N 387.432 2.578 0 40 GFAB Cn1cccc1-c1noc(CNC(=O)Cc2ccccc2Br)n1 225767119 PYLAEQGGTBEXDX-UHFFFAOYSA-N 375.226 2.697 0 40 GFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3ccco3)o2)c1 575609697 DWBWHQPLAKPDRG-UHFFFAOYSA-N 391.401 2.813 0 40 GFAB CCCOc1ccc(CN2C[C@H](CN3C(=O)NC4(CCCC4)C3=O)CC2=O)cc1 2298107058 PBIWUWVJHXZJHG-QGZVFWFLSA-N 399.491 2.689 0 40 GFAB Cc1nc(NCCNC(=O)Nc2ccc(F)cc2F)cc(N2CCCC2)n1 36708095 FCPDNIDKITURGE-UHFFFAOYSA-N 376.411 2.897 0 40 GFAB COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 23386273 JJCYWOSVDWRDAF-UHFFFAOYSA-N 389.205 2.936 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](Oc2ccncc2)C1 151164381 DXLCWIGXYOROQV-LLVKDONJSA-N 389.296 2.748 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)c1occc1COc1ccccc1 40107033 UAQZWDSQCYBDMU-UHFFFAOYSA-N 375.388 2.764 0 40 GFAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)OCCO3)n1 40287929 MOESFHGWFMBHTB-UHFFFAOYSA-N 396.374 2.712 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccccc2Cl)c2ccccc2O1 11213816 DLMAEVXHNJDHMC-SFHVURJKSA-N 388.851 2.739 0 40 GFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H](NC(=O)c3ccco3)C(C)C)cn2)n1 36764124 WKTGXRASNGUGQL-GOSISDBHSA-N 381.436 2.870 0 40 GFAB C[C@H](SC(=S)N1CCCC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7443595 BPJGARUFXQZXGU-VIFPVBQESA-N 383.564 2.777 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 932417 IHAMNDDFDLIPDF-UHFFFAOYSA-N 399.432 2.521 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2C)cc1OC 982846 OCHQFYDNEMZZHU-UHFFFAOYSA-N 398.868 2.583 0 40 GFAB COc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc(OC)c1OC 1462577 PSVCAFDQTTUYPG-UHFFFAOYSA-N 386.326 2.532 0 40 GFAB CC(=O)O[C@@]12c3ccccc3-c3ccccc3[C@@H]1[C@H](C(=O)O)[C@]2(Cl)C(=O)O 1630532 CBODUWBNIBXAQZ-YKCBXCCJSA-N 386.787 2.986 0 40 GFAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1cccc(F)c1 4860925 REVDRNITLCUKTN-UHFFFAOYSA-N 398.390 2.685 0 40 GFAB C[C@@H](c1ccccc1)n1cc(C(=O)Nc2ccccc2N2CCOCC2)nn1 4929603 LWVZGHXVGVVDCW-INIZCTEOSA-N 377.448 2.976 0 40 GFAB COc1cccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c1 6032681 BEZWLDNMLUUYFQ-UHFFFAOYSA-N 385.416 2.969 0 40 GFAB CCCn1c(O)nnc1SCC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 11650912 GLWOJSLULQYTGS-JXMROGBWSA-N 390.465 2.701 0 40 GFAB CCN(CC)C(=O)CSc1nnc(CCc2ccccc2)n1CCOC 6948813 FMSJFOTUXORHDK-UHFFFAOYSA-N 376.526 2.670 0 40 GFAB COCc1c(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)oc2ccccc12 7836343 NJSDYDDGNKNTKF-NSHDSACASA-N 376.409 2.749 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)N4CCCN4[C@H]3C2=O)cc1C 102702445 UREZEQAUZAHWSP-VAMGGRTRSA-N 379.435 2.978 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)c1 21267447 RPZAHJFDOQXRBS-LBPRGKRZSA-N 398.394 2.580 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1 10041175 FLGPADITIUMZJH-NSHDSACASA-N 383.267 2.755 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 8037044 MSMFVTJYPUJUNN-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Cl 109423603 RFAPQVMQPDIXNP-UHFFFAOYSA-N 395.912 2.901 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCCCCC2)cc1 21603344 WSQOKVKKKBITST-INIZCTEOSA-N 390.480 2.538 0 40 GFAB COc1ccc(C(=O)CCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1OC 32966872 RMAWMULGLKVMAT-MRXNPFEDSA-N 399.443 2.965 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O[C@@H]1CCCCC1=O 32950543 YGICVNAZMYXJQA-GOSISDBHSA-N 391.445 2.735 0 40 GFAB COCCOc1cc(CN2[C@@H]3CC[C@@H]2Cc2c(O)nc(C)nc2C3)ccc1OC 100216260 BYYOUFNRUSEXSY-IAGOWNOFSA-N 399.491 2.656 0 40 GFAB CCc1ccc([C@@H](CNC(=O)CCNC(=O)NCc2ccccc2)N(C)C)cc1 22684622 KIUDELITSDZDDM-OAQYLSRUSA-N 396.535 2.857 0 40 GFAB O=C(O)c1ccccc1N1C(=O)c2ccc(I)cc2C1=O 984378 BYLDQAKFHMPTEZ-UHFFFAOYSA-N 393.136 2.790 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)C(=O)N2CCc3ccccc32)cc1 23248815 MBOVPJAPZSPUQV-DENIHFKCSA-N 393.531 2.936 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 54918471 JWSDPYFZVFKLNX-UHFFFAOYSA-N 394.475 2.538 0 40 GFAB CC(C)C(NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)C(C)C 113956885 MRHGWSJCWVMCIR-LBPRGKRZSA-N 376.469 2.916 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 25843474 QIOIYQZKXWNVRT-UHFFFAOYSA-N 375.476 2.787 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 44776469 VTDATRRODHYHNY-HZSPNIEDSA-N 376.503 2.649 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 306131085 JWDBWYNCCMBXFT-KBPBESRZSA-N 381.411 2.567 0 40 GFAB COc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1F 12933092 XIPJQRKTJCFJCI-UHFFFAOYSA-N 378.473 2.903 0 40 GFAB CC(C)(C)C(=O)N1CCC(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 12943498 AGHJMBNWPSLWPR-GOSISDBHSA-N 386.492 2.834 0 40 GFAB Cc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1S(=O)(=O)N1CCCCC1 13001534 VMELXCOQIZPDME-UHFFFAOYSA-N 396.509 2.999 0 40 GFAB CCn1cc(C(=O)NCCOc2ccccc2OC)c(=O)c2ccc(C)nc21 8074476 LJXUOYSFCJFUBX-UHFFFAOYSA-N 381.432 2.542 0 40 GFAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 4304455 KCPJSHONSLSZOO-QFIPXVFZSA-N 393.443 2.993 0 40 GFAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 6270408 XCDABJFPULMXSR-UHFFFAOYSA-N 396.896 2.771 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)N3CCc4ccccc43)c(=O)c2c1C 6497608 GUGLANBCIBMQBR-UHFFFAOYSA-N 397.456 2.532 0 40 GFAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 409148529 QIQKJAMEHKXKHW-INIZCTEOSA-N 390.505 2.877 0 40 GFAB Cc1nc(N(C)CC(=O)N2CCOCC2)c2c(-c3ccccc3)csc2n1 6583211 GRBBHOIJIHSBQO-UHFFFAOYSA-N 382.489 2.962 0 40 GFAB COc1ccc([C@H]2C[C@@H](c3ccc4c(c3)OCO4)n3nnnc3N2)cc1OC 6661710 XBKVNOHOKCUVDN-KGLIPLIRSA-N 381.392 2.565 0 40 GFAB O=C(CSc1nccn1Cc1ccccc1)NCC(=O)Nc1ccc(F)cc1 6609443 YTTNJTHURCOSGW-UHFFFAOYSA-N 398.463 2.918 0 40 GFAB Cc1ccc2[nH]c(SCC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)nc2c1 4741874 ZBXWFNICRBZOGX-UHFFFAOYSA-N 385.401 2.999 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3cccc(C)c3)C2=O)cc1OC 6770707 JXQMVERQSGIIMI-MSOLQXFVSA-N 380.404 2.506 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccccc3C)C2=O)cc1OC 6770700 NFPGZLIEMWNEFW-MSOLQXFVSA-N 380.404 2.506 0 40 GFAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)s1 4993594 YAXDKCINSAYIAR-QMMMGPOBSA-N 378.458 2.900 0 40 GFAB COc1ccc(-c2noc(CN3C(=O)CC4(CCCCC4)C3=O)n2)cc1OC 7046899 KOSIOYVTJPIICX-UHFFFAOYSA-N 385.420 2.963 0 40 GFAB Cc1ccccc1-n1ccn(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1=O 67320626 JERBSWUUGLPZBZ-UHFFFAOYSA-N 387.798 2.739 0 40 GFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113966753 YUCDSRNTNBBBOL-CQSZACIVSA-N 394.468 2.695 0 40 GFAB COc1ccc(OC)c2c1CN(C(=O)NCc1ccc3c(c1)CCC3)C[C@@H]2O 83937364 ZDUXCVJBPGGBKI-SFHVURJKSA-N 382.460 2.951 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9885217 KOKXEEJWASHMQH-QGZVFWFLSA-N 391.427 2.531 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)cc(F)c2)cc1 22227340 BQWHCTAVCJBGID-UHFFFAOYSA-N 382.432 2.624 0 40 GFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 9582177 GBSITJJSILDZRB-UHFFFAOYSA-N 381.476 2.783 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc(O)c(OC)cn2)sc1Cc1ccccc1 72406356 CBMPTMXLSQBWSD-UHFFFAOYSA-N 399.428 2.882 0 40 GFAB O=C(O)c1ccc(CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)o1 95425468 RIZLYKCDITTXJO-UHFFFAOYSA-N 389.367 2.607 0 40 GFAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)Nc1c(C)nn(CCOC)c1C 95466946 MMLMVIQYQRTTEA-UHFFFAOYSA-N 398.460 2.723 0 40 GFAB CC(C)Oc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 22378149 NLIFJXMTACKVPK-UHFFFAOYSA-N 390.505 2.599 0 40 GFAB COc1ccccc1CCNC(=O)c1c(-n2cnnn2)sc2c1CCCC2 32100588 DJABMZMBGLEMJO-UHFFFAOYSA-N 383.477 2.584 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)c(C)c1 32444159 LEMUKWYVTOFTSF-UHFFFAOYSA-N 388.489 2.917 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccccc2)cc1C 39986163 RIYOFUTYAZBMGN-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCCn1ccc2ccccc21 71285332 JTEYPZRKTGZQDR-UHFFFAOYSA-N 378.457 2.743 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349310 MLHCZPAQCHSBFG-MRXNPFEDSA-N 377.485 2.797 0 40 GFAB Cc1nc(C2CCN(C(=O)CO)CC2)nc2c1CCCN2Cc1ccc(F)cc1 72373856 LAOREBOMAFNBEK-UHFFFAOYSA-N 398.482 2.575 0 40 GFAB CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225100102 KNEADLXBEHFXEJ-UHFFFAOYSA-N 383.397 2.513 0 40 GFAB CN(c1ccc(CC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 225980274 XCVBVJBWIATRRO-UHFFFAOYSA-N 384.457 2.964 0 40 GFAB COc1ccc([C@@H](CC(=O)N[C@H](C)c2ccccc2)NS(C)(=O)=O)cc1 225954872 BOOAEASSILKGKE-RDTXWAMCSA-N 376.478 2.553 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 223456953 ZSPDGTFWYWGGOF-HXUWFJFHSA-N 384.476 2.936 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1 77099474 YFFPSDMZPZGTBY-OAHLLOKOSA-N 375.368 2.875 0 40 GFAB O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCN(c2ncc[nH]2)CC1 581020955 LOKMUGZZXOZGEA-UHFFFAOYSA-N 388.269 2.545 0 40 GFAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(C(=O)c4ccccc4)C[C@H]3F)nc2c1 96112108 ABZZZSVUBIZODR-QAPCUYQASA-N 397.406 2.729 0 40 GFAB biogenic,in-vitro Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccs3)C2)c1 96227628 WLNBFPYKBDAKME-MJGOQNOKSA-N 390.530 2.774 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(F)cc1 96520901 UZICSSRRTLEOBG-VIFPVBQESA-N 390.068 2.737 0 40 GFAB COc1cc(=O)n(CC(=O)NCc2ccccc2)nc1-c1ccc(Cl)cc1 96100870 CPNOQBFUHFPAJU-UHFFFAOYSA-N 383.835 2.889 0 40 GFAB COc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 243866766 RKMOHXZUXSWPPT-UHFFFAOYSA-N 382.460 2.872 0 40 GFAB COCCN1CC=CCC2(CCN(C(=O)c3nccc4ccccc34)CC2)C1=O 257327449 XBKKLALNRURYTE-UHFFFAOYSA-N 393.487 2.892 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc3C2)cc1C 90611532 GRUDEUVGSUDWBE-HXUWFJFHSA-N 375.490 2.592 0 40 GFAB Cc1nnnn1-c1cc(NC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)ccc1F 646257367 JTFOSBHARWHETH-CRAIPNDOSA-N 397.414 2.547 0 40 GFAB COc1cc(Cl)c(OC)c2c(=N[C@@H]3CCN(C)[C@@H](C)C3)c(C(=O)O)c[nH]c12 649389392 BFTWOFPZCWPMOE-WDEREUQCSA-N 393.871 2.920 0 40 GFAB Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(Cn4cccn4)cc3)C2)nc(C)n1 596010207 UJBULALYEMULSP-HXUWFJFHSA-N 390.491 2.737 0 40 GFAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 96098614 ICFIPTCBTSAFQF-UHFFFAOYSA-N 390.387 2.859 0 40 GFAB O=C(c1ccc2[nH]cnc2c1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104436 QYRBNPTZHPWQON-UHFFFAOYSA-N 375.837 2.515 0 40 GFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O 7070965 FXLIWFWYPCFHJG-WWNSAXIVSA-N 394.405 2.981 0 40 GFAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)COc3ccccc3)cc2)nn1 16975131 SZNLFFNBJVEWMP-UHFFFAOYSA-N 383.429 2.565 0 40 GFAB COc1ccc(CCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1OC 18217166 ALALXJWLSLZZHC-UHFFFAOYSA-N 398.503 2.785 0 40 GFAB COc1cc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)cc(OC)c1 19240299 CEAJWTXFXSCXBR-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB Cc1nccn1CC1(O)CCN(CC2CCN(Cc3ccccc3)CC2)CC1 19287950 XQCFVWHLALSNEB-UHFFFAOYSA-N 382.552 2.931 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 19497927 SHPAOOXBTXFXTM-WBVHZDCISA-N 392.503 2.808 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 19589418 INSQXPNXAMRATH-NRFANRHFSA-N 380.488 2.849 0 40 GFAB COc1ccc(/C=C/C(=O)NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 19855696 SQNOIBWQVDLSBX-FMIVXFBMSA-N 395.528 2.927 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 19868586 CPXYBHKBWSXUDM-WDYCEAGBSA-N 394.512 2.672 0 40 GFAB C[C@@H](OC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)NC1CCCCCC1 11940487 ZNIHDXNCVJNQKA-PBHICJAKSA-N 375.469 2.557 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(C)cn1)C2 1889191871 CNGTUEWXOJHUDD-GJZGRUSLSA-N 379.457 2.896 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccco2)c2cccs2)cc1C 238825846 DSOWZYAOGOMYEZ-HXUWFJFHSA-N 384.457 2.949 0 40 GFAB Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(=O)c4ccc(O)nc4)C3)cn2)n1C 2037697433 YWVKHXGHKCSTES-KRWDZBQOSA-N 391.475 2.986 0 40 GFAB COc1cccc(CN2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)c1OC 2037983961 LUQQVBMHGINJBD-QUCCMNQESA-N 396.487 2.958 0 40 GFAB C/C=C/Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(Cl)c2)n(C)c1=O 10233769 SRJXAXVPYBAKJU-SNAWJCMRSA-N 385.855 2.586 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695222 LDNZFBMIJXTBNN-UHFFFAOYSA-N 388.427 2.835 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1 40091265 PLJHAIBVESNNKL-INIZCTEOSA-N 382.489 2.815 0 40 GFAB CC(C)c1ccc2cc(C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)[nH]c2c1 40154408 VLKKTERSJPWXER-AWEZNQCLSA-N 377.510 2.693 0 40 GFAB O=C(CCNc1ncccn1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 40105439 GQUYOVPKFLPZLG-UHFFFAOYSA-N 382.464 2.678 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1C 100691731 YVQQBQOAQFOOGB-SNEKZUEESA-N 392.521 2.563 0 40 GFAB Cc1ccc(-c2noc(CCC(=O)N3CCN(c4nccs4)CC3)n2)cc1 11187543 STDPKLOPGQHYAM-UHFFFAOYSA-N 383.477 2.783 0 40 GFAB O=C(c1ccccc1I)n1cc(Br)cn1 995663 MRILXWPOVQONSO-UHFFFAOYSA-N 376.979 2.939 0 40 GFAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 51236749 KBRZZMWUNTXMNK-LBPRGKRZSA-N 375.441 2.537 0 40 GFAB CCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)S[C@@H](C)C2 4107846 JCUDQJKGUITULS-LBPRGKRZSA-N 387.530 2.981 0 40 GFAB CC(C)OC(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4142444 XJTOZJAEUQGOBW-UGNRZPKXSA-N 394.439 2.769 0 40 GFAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)ccc1O 20725577 VVEVBXFGMJITAG-NSHDSACASA-N 391.391 2.685 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCCC3)NC(=O)N[C@@H]1C 4767986 QDZSQHRGCMUHPA-LLVKDONJSA-N 392.477 2.692 0 40 GFAB C[C@H]1CCC[C@H](N2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)[C@@H]1C 6853254 DPNUGJSSHMLGNP-QUIZZNFMSA-N 387.358 2.849 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c[nH]1 36963706 JWFPAXPWWARPCD-UHFFFAOYSA-N 379.619 2.930 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(CC)CC)cc1Cl 7881282 MXTOZYLEIJDQHB-UHFFFAOYSA-N 376.906 2.618 0 40 GFAB Cc1ccccc1N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)c1ccco1 101269472 MPQSEDUZOHGAHD-STEAMIEHSA-N 376.412 2.999 0 40 GFAB CN(CC(=O)Nc1ccccc1OC(F)F)Cc1nc2ccccc2c(=O)[nH]1 32510705 SFYMKVJVISXECL-UHFFFAOYSA-N 388.374 2.595 0 40 GFAB O=C(c1ccc(OC(F)F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21487099 PUYXTQVXNOKNPS-UHFFFAOYSA-N 390.386 2.975 0 40 GFAB COc1ccc(CNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 2652355 WAZYFVAUUKBOFU-UHFFFAOYSA-N 391.353 2.684 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)NCc1ccc(Cn2cncn2)cc1 32889757 GGUWOHGKUJLXDE-UHFFFAOYSA-N 379.464 2.985 0 40 GFAB Cc1cc2c(=O)n(NC(=O)CCn3nc(C)c(Cl)c3C)c(C)nc2s1 2780177 FLVLDRGYUJDBOC-UHFFFAOYSA-N 379.873 2.702 0 40 GFAB COC(=O)c1ccc(OC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1 42197585 ULBYWZSPMSCZEW-UHFFFAOYSA-N 379.771 2.991 0 40 GFAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccc(-n2cccc2)cc1 47277462 MMVFAIDHBYBRAL-UHFFFAOYSA-N 397.456 2.975 0 40 GFAB Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7975599 ZBYYGLDCHHSFKP-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB CCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 22277169 GQZHLTGEXXDLRW-UHFFFAOYSA-N 396.896 2.988 0 40 GFAB COc1cccc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)cc2F)c1OC 42255912 PIMOQEUJJQLOBA-RMKNXTFCSA-N 383.372 2.500 0 40 GFAB CCNC(=O)C1CCN(c2nc(C)nc3sc(C(=O)OCC)c(C)c23)CC1 23145402 YBBZHMKHROXVER-UHFFFAOYSA-N 390.509 2.837 0 40 GFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)ccc1O 909776 NLLIBKHYPBNJCN-KRWDZBQOSA-N 389.358 2.946 0 40 GFAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2cccs2)cc1 1077767 NCKUZXSLTSSFKJ-OAHLLOKOSA-N 389.502 2.713 0 40 GFAB COc1ccccc1N1CCN(C(=O)CSc2ccccc2C(=O)O)CC1 12593667 GRMWYQLWNWJRKP-UHFFFAOYSA-N 386.473 2.834 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014490 OLXBKELCWNVUGG-QAETUUGQSA-N 385.851 2.868 0 40 GFAB NC(=O)Cc1csc(NC(=O)c2ccc(Cn3cnc4ccccc43)cc2)n1 12507671 YUXOGHPGAABFRB-UHFFFAOYSA-N 391.456 2.821 0 40 GFAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1C 55493487 JYTAPBMFASAFNF-MAUKXSAKSA-N 382.508 2.918 0 40 GFAB CSc1ccccc1NC(=O)CN(C)C(=O)COc1ncnc2ccccc12 8072113 JMNYHXBLQWFBIA-UHFFFAOYSA-N 396.472 2.828 0 40 GFAB COc1cc(CN2[C@@H]3CC[C@@H]2Cc2c(O)nc(C)nc2C3)cc(OC)c1OC 100214557 XYYPXKBNHJFUIC-HUUCEWRRSA-N 385.464 2.648 0 40 GFAB CCOC(=O)[C@H]1CC(=O)[C@@H](c2cccc(Cl)c2N2CCN(C(C)=O)CC2)C1 57328095 IXOLELMXQSNFFS-GDBMZVCRSA-N 392.883 2.634 0 40 GFAB CCOc1ccc(CC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 25606272 UQRDSYVRLLJRJK-JOCHJYFZSA-N 398.503 2.826 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)c1 35485492 SFAWAHLJXJAUHH-SFTDATJTSA-N 377.488 2.947 0 40 GFAB CC(C)CCNC(=O)Cn1cnc2c(cnn2-c2ccc(C(C)C)cc2)c1=O 57486526 ITGSXFKJYUUNPF-UHFFFAOYSA-N 381.480 2.868 0 40 GFAB COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccncc4)ccc23)cc1 22610805 CJCLJTCTZKAHCT-UHFFFAOYSA-N 384.399 2.807 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(Cn2c(=S)oc3ccccc32)CC1 27297029 GQVKTGXUENFDSF-UHFFFAOYSA-N 389.502 2.928 0 40 GFAB COC(=O)c1c(C)cccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 10185879 XFDRGZJZLYAXJW-CQSZACIVSA-N 381.432 2.957 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CCC)C(=O)O)ccc12 2104192 FUZDNNDXMUGHAC-BLLLJJGKSA-N 375.421 2.882 0 40 GFAB biogenic COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 3349928 JVLHQLBTMKKRGB-CQSZACIVSA-N 398.463 2.551 0 40 GFAB C[C@H](Sc1nnnn1Cc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 10433462 COYMAYPVJOUPEH-NSHDSACASA-N 395.452 2.679 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10545478 NJLXNTZXQRZGBS-OAHLLOKOSA-N 383.473 2.986 0 40 GFAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccccc4)CC3)n2)cc1 12759654 DDEWAVMYEWSCCX-UHFFFAOYSA-N 392.459 2.768 0 40 GFAB Cc1nc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)nn1-c1ccc(F)cc1 12780446 PWPYYZSRYPWGKY-UHFFFAOYSA-N 385.374 2.565 0 40 GFAB COc1ccc(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1N1CCCC1=O 48275052 ZCFWIJGROIEPSZ-UHFFFAOYSA-N 396.447 2.638 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(F)c1 48324897 WWSGNKKAIRNRBM-KXBFYZLASA-N 384.455 2.556 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)CC1 12805717 OOYMNHDFQDWQTO-GFCCVEGCSA-N 393.465 2.920 0 40 GFAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCOCC2)cc1 3435229 ZRUNTFMKCRBPJA-UHFFFAOYSA-N 376.359 2.597 0 40 GFAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O 12968033 SFNPOEOEPGWEKC-GFCCVEGCSA-N 389.429 2.538 0 40 GFAB COc1ccc(-c2csc(NC(=O)CSc3nnnn3C3CC3)n2)cc1 8231512 SXOSAMJTNGBKFB-UHFFFAOYSA-N 388.478 2.871 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccccc1 3600782 ZWUPFQOURWCHBR-QRQCRPRQSA-N 377.444 2.647 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccn2)CC1 4118629 ALSNWIVWTGYOCE-UHFFFAOYSA-N 389.297 2.913 0 40 GFAB CCc1nnc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2)s1 5033742 ODMVMZSJVNRUMF-JTQLQIEISA-N 375.483 2.504 0 40 GFAB COc1cc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC 4327725 GDOJPMUOAJGGKL-IBGZPJMESA-N 386.429 2.597 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 5313160 IFXMFBIYBSJMGP-MGPUTAFESA-N 389.521 2.704 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2nccnc2c1 7048618 DTVOWVUFHXIJSZ-CYBMUJFWSA-N 390.399 2.551 0 40 GFAB O=C(Nc1ccsc1C(=O)N1CCN(c2ccccc2)CC1)c1cnccn1 67335795 WWMKPURKNNXBHD-UHFFFAOYSA-N 393.472 2.753 0 40 GFAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(-n4cnnn4)cc3)c2C1 15646583 CCUIFVDIVQYIJW-UHFFFAOYSA-N 399.458 2.841 0 40 GFAB COc1ccc(O)c(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1 96001086 PAKHFUVJEOFQGJ-INIZCTEOSA-N 381.388 2.665 0 40 GFAB NS(=O)(=O)c1cc(C(=O)NCc2ccc(OC(F)F)cc2)ccc1Cl 19601187 UVYKGZMEWCQOER-UHFFFAOYSA-N 390.795 2.519 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)Nc1cccc(Cl)c1C 9336970 QTTXFHHQCMJCSN-UHFFFAOYSA-N 394.880 2.811 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cccc(OC)c3)C2=O)cc1 9419863 NHFPLDLZQWNBGO-SFHVURJKSA-N 397.431 2.543 0 40 GFAB COc1ccc(N2C(=O)C[C@H](NCCOC34CC5CC(CC(C5)C3)C4)C2=O)cc1 19848351 UUZFEIBXGQTRAZ-SXYIGIQMSA-N 398.503 2.902 0 40 GFAB CCCSc1nsc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)n1 9582792 OYVVKFFWFWHKSJ-ZDUSSCGKSA-N 378.479 2.793 0 40 GFAB O=C(c1ccccc1OC[C@H]1CCCO1)N1CCC(N2CCCCC2=O)CC1 84497911 NINSCSHIUBKFNR-GOSISDBHSA-N 386.492 2.862 0 40 GFAB CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccccc2Cc2ccccc2)C1=O 95406605 HPIUWFZMFFWRPU-JPYJTQIMSA-N 391.471 2.728 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C 409124033 GLUCVBPXWLKBLQ-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 408658017 KNTOAIMMLHCRFY-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CN(C)CCN1CCC[C@]2(CN(CC3CCCC3)C[C@@H]2c2cccnc2)C1=O 306126554 DYXZHMBAGQZHLE-FYYLOGMGSA-N 384.568 2.841 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)c(Cl)c1 408555119 DQPVMSFERXPZJE-UHFFFAOYSA-N 388.917 2.810 0 40 GFAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CC2)CCO1 72389303 KCAQDVHZXIYMKI-QHCPKHFHSA-N 396.462 2.789 0 40 GFAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(CCOc2ccccc2)CC1 32744558 NRAHYAQPNUTXCM-UHFFFAOYSA-N 393.487 2.650 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(CC(=O)N2CCOCC2)cc1 32708042 GINHVYGHELLDNC-UHFFFAOYSA-N 392.459 2.536 0 40 GFAB Cc1cc(-c2nnn(Cc3nc4c(oc5ccccc54)c(=O)[nH]3)n2)ccc1F 79309279 FTXIWMHVBNUUNY-UHFFFAOYSA-N 376.351 2.819 0 40 GFAB Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CSC2 72400508 FUKBKIYHZQJXNI-SNVBAGLBSA-N 376.869 2.812 0 40 GFAB CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 72371926 LGIXIWKCWWYWSA-QGZVFWFLSA-N 396.466 2.782 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1 225974004 KLYWMUQQLJFAEM-UHFFFAOYSA-N 395.868 2.947 0 40 GFAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2cccc(C(F)(F)F)c2)n1 224177187 AUGQJJLICJWNJI-UHFFFAOYSA-N 380.370 2.570 0 40 GFAB C[C@@H](NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1)c1ccc(F)cc1 225944527 AUPFLJAUYZLPQJ-PXAZEXFGSA-N 382.432 2.823 0 40 GFAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224643877 MAJRLARNZJEFDT-UHFFFAOYSA-N 377.462 2.934 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1=O 570602009 PHHBWRQRADHVGG-QFIPXVFZSA-N 398.482 2.904 0 40 GFAB COc1cc(NC(=S)NC2CCN(C3CCOCC3)CC2)cc(OC)c1 225213174 RDQGFACGKLKKQT-UHFFFAOYSA-N 379.526 2.634 0 40 GFAB COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N2CCCC2)cc1 46868332 NCVRKZOTZSBCHI-OAQYLSRUSA-N 399.535 2.597 0 40 GFAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223302776 HYZNQTYHELQFGQ-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB O=C(Nc1ccc(F)c(C2CC2)c1)N1CC[C@H](N=c2ccc3nccn3[nH]2)C1 581764703 OBBQSCZQZGQNIQ-HNNXBMFYSA-N 380.427 2.886 0 40 GFAB Cc1cc(C(=O)NC[C@](C)(C(=O)O)c2ccccc2)cnc1Br 1594279101 JUWUDYCCXIQKFQ-KRWDZBQOSA-N 377.238 2.925 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CN(C(=O)Cc2cccs2)CC12CCOCC2 96241036 FCWWKGGMJYUTLT-QGZVFWFLSA-N 385.489 2.580 0 40 GFAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc2ccccc2s1 95473608 NPKVRXUMWCYNGT-OAHLLOKOSA-N 394.456 2.992 0 40 GFAB CC(C)c1cccc(C(=O)N2CC[C@@]3(COCc4cnc(N(C)C)nc43)C2)c1O 248090931 FMNPDBGUDMKMGA-QFIPXVFZSA-N 396.491 2.686 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(CCO)Cc2cccnc2)[C@@H]1c1ccc(C)cc1 257239867 HRDMNQMZJNZMFN-IRLDBZIGSA-N 395.503 2.711 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257276262 NTAKLZFMKMNPIV-AWEZNQCLSA-N 387.447 2.692 0 40 GFAB C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)C[C@@H](C)O1 253603980 PEKCVDRHCOETBZ-TUPKZILYSA-N 384.476 2.577 0 40 GFAB Cc1nc([C@@]2(C)CCCN(C(=O)c3cccc(F)c3)C2)nc2c1CC(=O)N2C 257315095 UZWZIDOWAYIKHX-NRFANRHFSA-N 382.439 2.637 0 40 GFAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 257251845 JSMJFFSUHRMRJY-KRWDZBQOSA-N 392.529 2.563 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cnn(C4CCN(C)CC4)c3)c12 634086904 GJWWZOHLNXKFGS-UHFFFAOYSA-N 393.495 2.870 0 40 GFAB Nc1ncccc1CNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1678679819 RHMJIRQXXLKCPD-INIZCTEOSA-N 391.878 2.920 0 40 GFAB Cn1cc(CC(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c2ccccc21 390832169 XTJNUGVWIYRGFH-ZDUSSCGKSA-N 391.397 2.753 0 40 GFAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)c1 575404513 NBXOJOHGCRZJCC-FPOVZHCZSA-N 394.471 2.670 0 40 GFAB O=C1NC2(CCN(C(=O)c3cccs3)CC2)[C@H]2CN(Cc3ccccc3)C[C@@H]12 585106303 PYTBPWNKEOAQSO-MSOLQXFVSA-N 395.528 2.601 0 40 GFAB O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cnccn1 54319363 OWMXETUIAMHACT-UHFFFAOYSA-N 376.254 2.717 0 40 GFAB O=C(NCC1CCN(c2cnccn2)CC1)C1(c2ccccc2)CCOCC1 70930538 PWCHVCRMZQICOL-UHFFFAOYSA-N 380.492 2.558 0 40 GFAB COc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615153554 BZDXATMZCVMEKT-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB Cc1cc(NC(=O)CN2CCC[C@@H](c3ncncc3-c3ccncc3)C2)no1 12118525 UJVFFUJTRAGWES-MRXNPFEDSA-N 378.436 2.653 0 40 GFAB Cc1oc(C2CC2)cc1C(=O)N1CCC[C@@H](c2nnsc2S(C)(=O)=O)C1 12251729 OAYQNUACSKMUSV-GFCCVEGCSA-N 395.506 2.740 0 40 GFAB CN(C)C(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 13780526 HINJNZFCMLSBCI-MJGOQNOKSA-N 399.878 2.612 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15472034 AAHHCAWDDMIFFG-OAHLLOKOSA-N 388.489 2.971 0 40 GFAB Cc1ccc2cc(C(=O)N[C@H]3CCCN(c4ncc5c(n4)CCOC5)C3)[nH]c2c1 19221803 UXJXPKZDDLZZND-KRWDZBQOSA-N 391.475 2.738 0 40 GFAB O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19331913 DUYCTPKEHMLNBR-GOSISDBHSA-N 391.519 2.742 0 40 GFAB Cc1nc(N(C)C)ncc1C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C 19552781 GAFUOUKGNDGKFZ-UHFFFAOYSA-N 382.443 2.723 0 40 GFAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)nn1 19660138 UHRXGNNHYINPLK-GOSISDBHSA-N 392.394 2.905 0 40 GFAB CC(C)CCNC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 12087129 KAVYTAKMJGGGKH-UHFFFAOYSA-N 394.899 2.886 0 40 GFAB COc1ccc(C(=O)NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)cc1 6641875 GQTFTYDMSFGWGF-UHFFFAOYSA-N 381.306 2.827 0 40 GFAB Cc1ccccc1OCCN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 16147651 DZNKNYGNNQHWTF-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1cc(Br)cs1 1888853332 FYKHIJPPNCWEQD-UHFFFAOYSA-N 396.188 2.516 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](COc3ccc(-c4cccc(F)c4)nn3)C2)cn1 1888906361 UFGJZSJOSMAACP-HNNXBMFYSA-N 393.422 2.922 0 40 GFAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCO)Cc1ccccc1 4374263 YMBNSNXEFAINOY-KRWDZBQOSA-N 387.867 2.649 0 40 GFAB O=C(NCc1ccccc1Cl)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234287 SHJNLRYRGCMUNP-UHFFFAOYSA-N 399.813 2.513 0 40 GFAB CCC(=O)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 12418377 DWPJYDILLMCFQC-BOPFTXTBSA-N 380.425 2.781 0 40 GFAB COc1ccc([C@H]2NN(CN3CCOCC3)C(=S)N2Cc2ccccc2)cc1 19597101 ODKIVCKIVXPMJZ-FQEVSTJZSA-N 398.532 2.591 0 40 GFAB CC[C@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 36585401 GMDDGPQTZAVEHI-WFASDCNBSA-N 378.494 2.893 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 20060404 IUGAOIZUNQYHHN-ZWKOTPCHSA-N 379.489 2.970 0 40 GFAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCn1cccn1 30170140 HDPDEVBSJLRLFC-ONUXSRJRSA-N 386.540 2.747 0 40 GFAB CC(C)(C)n1nnnc1SCc1nnc(C(=O)Nc2ccc(F)cc2)s1 30796148 JKGDMWZVBATAEY-UHFFFAOYSA-N 393.473 2.963 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1I)[C@H]1C=C[C@H]2CC1 100201080 ALWHPSLTCNMERY-NUZBWSBOSA-N 379.197 2.993 0 40 GFAB O=C1Nc2ccccc2C2=N[C@H](CN3CCN(c4ccccc4F)CC3)CN12 20219125 OLEWTSSNUFPUTJ-OAHLLOKOSA-N 379.439 2.624 0 40 GFAB CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 20283479 ZZYFRFBWWFYUPJ-HXUWFJFHSA-N 379.460 2.990 0 40 GFAB Cc1ccc(C2=NC(=O)[C@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N2)cc1 2503709 JFBFJUPDWVDEFO-KRWDZBQOSA-N 379.313 2.699 0 40 GFAB CC1=C(Sc2ccc(Br)cc2)[C@@H](N)Nc2nc(N)nc(N)c21 1612726 XXFVLMLYGFYDIP-LBPRGKRZSA-N 379.287 2.637 0 40 GFAB COC(=O)c1ccccc1NC(=S)NC(=O)C[C@H]1C[C@H](C(C)=O)C1(C)C 3171870 CJNZGFCOGLDAGR-TZMCWYRMSA-N 376.478 2.928 0 40 GFAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1 7814818 IHXFSNAIJRNIQN-MRXNPFEDSA-N 392.502 2.835 0 40 GFAB COc1ccc(OC)c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c1 32674713 SWMJCRASEUIQLY-UHFFFAOYSA-N 381.432 2.991 0 40 GFAB CC(C)n1ncc2cc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cnc21 29717187 VLDZNKXRFNACTH-UHFFFAOYSA-N 393.491 2.774 0 40 GFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CC[C@H](Cn2cnnn2)CC1 103467434 RCZUTYRJCUURID-OKILXGFUSA-N 386.887 2.973 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)c1nc(-c2cccnc2)no1 32901409 XRROWWXXKYJALV-LBPRGKRZSA-N 387.417 2.762 0 40 GFAB Cc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCOCC3)no2)cc1 33325116 RUVZVJYJEJAVEF-UHFFFAOYSA-N 379.416 2.950 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)NCc1ccc(CN2CCOCC2)cc1 116700853 FUQFHCRFWXSHRH-UHFFFAOYSA-N 394.924 2.792 0 40 GFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCC(=O)n1cccc/c1=N\C1CCCCC1 104752862 AJLRHQPOLVDXKC-UQOVRSCUSA-N 383.492 2.927 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)cc1F 24428335 BYIRKFLYTTXQGV-UHFFFAOYSA-N 399.371 2.714 0 40 GFAB COc1ccccc1CN(C)c1ccc(S(=O)(=O)Nc2ccccn2)cn1 24528900 ZRSBERLFBAXHFR-UHFFFAOYSA-N 384.461 2.922 0 40 GFAB C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)N1CCCc2ccccc21 25696664 VKWPBUNMDMIPMG-IBGZPJMESA-N 393.531 2.976 0 40 GFAB O=C(O[C@H]1CCCCC1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3263726 XBINXVXVLKRVNM-IBGZPJMESA-N 387.457 2.834 0 40 GFAB O=C(Nc1ccccc1-c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 21845746 RQPYTRWLSCEODN-UHFFFAOYSA-N 379.441 2.790 0 40 GFAB CC(C)Cn1nc(C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2c1=O 44816144 DUAHPXAHJJIULH-HNNXBMFYSA-N 393.443 2.622 0 40 GFAB Cc1ccccc1CN1CCN(S(=O)(=O)c2c(C)nn(C(F)F)c2C)CC1 22402132 HOCMBVFQAUOOOE-UHFFFAOYSA-N 398.479 2.710 0 40 GFAB CCN(CC)[C@H](CNC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1 48287247 SPUCDMQROYFJQD-OAQYLSRUSA-N 392.503 2.940 0 40 GFAB Cc1noc(C)c1CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 12824734 CPGBOBHHPQMLNH-UHFFFAOYSA-N 385.449 2.589 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3416772 RVHRGTMFKWTJIM-INIZCTEOSA-N 379.460 2.643 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13997707 SZPWKYCGGSSANX-HNNXBMFYSA-N 386.423 2.666 0 40 GFAB O=C(CN1CCC(NC(=O)C2CCCCC2)CC1)Nc1nc2c(s1)CCC2 65962989 JMXZCLVPIXSYAX-UHFFFAOYSA-N 390.553 2.731 0 40 GFAB CC1CCN(Cc2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)CC1 14526470 YZIUNCBTANUUHA-UHFFFAOYSA-N 397.504 2.793 0 40 GFAB COc1ccc(C)cc1NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8743304 QMCHYKQAXAYMNM-UHFFFAOYSA-N 382.420 2.501 0 40 GFAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccc(Cl)cc2)CC1 7192677 FOAFRQFVHGJCCJ-UHFFFAOYSA-N 388.851 2.854 0 40 GFAB Cc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1C 7718593 BVOXNYNKSYUJTQ-KRWDZBQOSA-N 377.487 2.809 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2S(C)(=O)=O)cc1F 7856721 GMWIPFXCVFKZHB-LBPRGKRZSA-N 379.409 2.722 0 40 GFAB c1cncc(-c2nc(N3CCN(C[C@@H]4CCCO4)CC3)c3ccccc3n2)c1 8938722 XOZBNYQQUYOSEO-SFHVURJKSA-N 375.476 2.993 0 40 GFAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccccn1 9320845 HPWIAADDYNNLJE-UHFFFAOYSA-N 380.422 2.701 0 40 GFAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1 408709842 XUPUFOOSESOVIL-UHFFFAOYSA-N 385.851 2.530 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C 9512876 ZZCOLAGTVZWDIT-UHFFFAOYSA-N 392.525 2.821 0 40 GFAB CNC(=O)Cc1nc(CSc2ncnc3c2cnn3-c2ccccc2)cs1 72307078 HIWJSMRGTWLFLH-UHFFFAOYSA-N 396.501 2.853 0 40 GFAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 79475912 MTOANHUOZFUABC-IBGZPJMESA-N 386.492 2.874 0 40 GFAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(CS(N)(=O)=O)cc1 95389847 AMUUZGVSFCGCDO-UHFFFAOYSA-N 376.522 2.764 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Br)n(C)n3)cn2)n1 89595673 YWIHKTQEVJQYOD-UHFFFAOYSA-N 375.230 2.632 0 40 GFAB O=C(c1csc(Nc2ncccn2)n1)N1CCN(Cc2ccccc2)CC1 56907612 FVOWNHXJEFOXFT-UHFFFAOYSA-N 380.477 2.635 0 40 GFAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(Cl)cc2)cc2c(O)nnc1-2 524735144 YZBFNAKLFJQNPF-CYBMUJFWSA-N 375.768 2.593 0 40 GFAB Cc1c(NC(=O)c2cccc3nc(O)oc23)cccc1N1C(=O)N[C@@H](C)C1=O 554723620 LZMLJHOBBWSPCQ-JTQLQIEISA-N 380.360 2.539 0 40 GFAB O=C1CCCN1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12 6805461 IGHUXUPLNZHKDU-UHFFFAOYSA-N 387.447 2.764 0 40 GFAB CN1CC[C@@H](CNC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CC1=O 563027620 XPNIHZKYMCLQSS-CYBMUJFWSA-N 388.443 2.724 0 40 GFAB COc1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)c(OC)c1 40283637 QKNDITZPTAJOFT-UHFFFAOYSA-N 385.449 2.872 0 40 GFAB CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCCC4)ncn3)cn2)cc1 49411204 REBVLBNGYPPVAE-UHFFFAOYSA-N 378.436 2.914 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C)c2)cc1 225098419 CNVWWLPWWNQGBM-UHFFFAOYSA-N 378.519 2.654 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N(C)c2cccc(OC)c2)ccc1OC 222923119 CXZSRYGVWDIYSR-UHFFFAOYSA-N 392.477 2.669 0 40 GFAB CNC(=O)C[C@H]1CC2(CCN(S(=O)(=O)CC(C)C)CC2)c2ccccc21 96241941 QAWQTYUDVWHIPJ-INIZCTEOSA-N 378.538 2.629 0 40 GFAB CC[C@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(OC)cc4OC(C)(C)[C@H]3C[C@@H]2C1 257206126 BBYYSLGYQMQCHN-DMXCXFHSSA-N 388.508 2.898 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)c1F 253471934 GRAOGULZSVIJMB-LBPRGKRZSA-N 383.379 2.578 0 40 GFAB CN1CCc2[nH]c3ccc(C(=O)N[C@H]4CCc5ccccc5NC4=O)cc3c2C1 616692832 LYALZESWPAZXKY-NRFANRHFSA-N 388.471 2.839 0 40 GFAB O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(C(F)(F)F)cnc1O 635352061 DEOUDEFHLBYOLD-UHFFFAOYSA-N 380.370 2.595 0 40 GFAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)ccc1C 657193259 NVSWDGDHQAFJRN-QFBILLFUSA-N 380.510 2.923 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 96025594 XVSVBXNKDFKTCC-IBGZPJMESA-N 391.420 2.633 0 40 GFAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cc(-c2ccc(F)cc2)[nH]n1 575618029 DCLSHHBEGAVVAD-UHFFFAOYSA-N 379.395 2.668 0 40 GFAB Cc1cc2nn(CN3CCN(c4ncccn4)CC3)c(=S)n2c2ccccc12 57395122 OXZIITDZDVVVDH-UHFFFAOYSA-N 391.504 2.897 0 40 GFAB CCc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615158325 LXBSWYNFVWUNDN-UHFFFAOYSA-N 383.448 2.584 0 40 GFAB O=C(NCCc1nc(-c2ccncc2)n[nH]1)c1ccc(CN2CCCCC2)cc1 12115841 BVAVAUJYNRQUQP-UHFFFAOYSA-N 390.491 2.825 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715370 DXAJIUBHIUABDA-SFHVURJKSA-N 378.469 2.995 0 40 GFAB CSc1ccc([C@H]2N=C(NCc3ccccn3)Nc3nc(C)cc(=O)n32)cc1 14607553 IPJRTDIIOGJXBC-SFHVURJKSA-N 392.488 2.787 0 40 GFAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)c2)cc1 19212633 LFPIPOUAGXPKOD-QHCPKHFHSA-N 378.472 2.697 0 40 GFAB CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)Cc2ccccc2F)CC1 12365745 WXPLDENVDMNIKZ-GOSISDBHSA-N 375.469 2.941 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2CCC[C@](O)(c3cccnc3)[C@H]2C1 248055656 SGGDQJLWJCNJCX-XJABCFGWSA-N 382.508 2.511 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1ccccc1 6881842 WIKDKWWYBUPWND-NRFANRHFSA-N 384.439 2.892 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(c4ncnc(C)c4C)CC3)cnc2c1 1889179565 FSSPPESJIBTKMY-UHFFFAOYSA-N 379.464 2.729 0 40 GFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nccn1Cc1ccccc1 26910209 ZOEAIFZYZIDNMN-HNNXBMFYSA-N 382.489 2.530 0 40 GFAB COc1ccc(CCC(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 29110950 IFXLDRAMHHYNMT-UHFFFAOYSA-N 382.460 2.621 0 40 GFAB CC(=O)Nc1cc(C(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)ccn1 2037916218 VWNYIDQJPOFXAN-UHFFFAOYSA-N 397.475 2.703 0 40 GFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCN([C@@H]2CCSC2)CC1 1565522210 DFSLMWKTXYVGHF-CQSZACIVSA-N 394.484 2.907 0 40 GFAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1 4164988 WZSKIGUBMITKRW-UHFFFAOYSA-N 396.432 2.827 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)OC)C1 4280336 NUPFIOXHSAXFTI-UHFFFAOYSA-N 378.406 2.895 0 40 GFAB COc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)o2)c(OC)c1 4276113 HLIAPHGARLFWAK-UHFFFAOYSA-N 383.360 2.777 0 40 GFAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2=O)c1 5270147 MONFSARJXCKUTR-UHFFFAOYSA-N 375.428 2.865 0 40 GFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(F)cc1 8940442 XKXKXVMFYJVOEI-UHFFFAOYSA-N 388.472 2.939 0 40 GFAB CCCc1cnc2c(c1SCC(=O)c1ccccc1)c(=O)n(C)c(=O)n2C 10216869 FGSKVZIDEOILPF-UHFFFAOYSA-N 383.473 2.560 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@H](c1cn(C)c2ccccc12)N(C)C 21698208 QYIWEUJLRMNHAK-LJQANCHMSA-N 394.475 2.545 0 40 GFAB CN(Cc1cccnc1)C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1 1775970168 FBYWKCKUKBGDMA-UHFFFAOYSA-N 389.438 2.646 0 40 GFAB COc1cccc2cc(C(=O)N3CCC[C@@H](Oc4ccncc4)C3)c(=O)oc12 575614099 WQTZQTIUDUGFQQ-MRXNPFEDSA-N 380.400 2.880 0 40 GFAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1N1CCCC1=O 40089161 URTHJOKSQMYBGO-UHFFFAOYSA-N 391.431 2.714 0 40 GFAB CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@H](c2ccccc2)C1 40051449 HZJBUGBPVGRTHN-SFTDATJTSA-N 393.487 2.933 0 40 GFAB CCOC(=O)N[C@H](C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)C(C)C 40151763 KYRQFDLCFKHNFG-SFHVURJKSA-N 397.466 2.816 0 40 GFAB CNC(=O)c1ccc(Cl)c(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 40121735 YYEBPVRMMYMXQQ-UHFFFAOYSA-N 396.875 2.784 0 40 GFAB Cc1ccn(C[C@@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 36615824 GFPZHZYQBAYOOL-CYBMUJFWSA-N 378.436 2.860 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627588 KQFHFNWSXCXLBG-LBPRGKRZSA-N 390.798 2.877 0 40 GFAB O=C1[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C(=O)N1c1cccc(Br)c1 101343297 HGQAJIWVKGHGOD-DZGCQCFKSA-N 389.180 2.881 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885530 TUCKQRDULDVKFJ-ORGXJRBJSA-N 396.418 2.598 0 40 GFAB CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)c1cc(F)ccc1F 60340386 MOFULSMMORVPCT-UHFFFAOYSA-N 397.447 2.755 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 7070802 YCDWWQAIUXUFOY-CYBMUJFWSA-N 380.441 2.920 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2CC)cc1 7304729 GZYXLNMAKWWUQR-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2Cl)cc1 7984162 OVMIRHBFOVAXKB-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10361303 BNVBHTZDYYWFJP-AWEZNQCLSA-N 394.468 2.557 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1C 21511032 GYOUDYWPYWSDBE-UHFFFAOYSA-N 390.480 2.845 0 40 GFAB CCCCN(Cn1ncn(-c2ccccc2F)c1=S)[C@@H]1CCS(=O)(=O)C1 32888218 RCLAHOUXOSQICS-CQSZACIVSA-N 398.529 2.789 0 40 GFAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cs1 29993269 ZCCAVZOLBFZBIU-UHFFFAOYSA-N 394.522 2.686 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccc3c(c2)OCCO3)on1 21786180 JMMRRFPKSWAQNI-UHFFFAOYSA-N 380.356 2.772 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 22537849 FDVZRVIOZPPFLM-LBPRGKRZSA-N 380.441 2.624 0 40 GFAB Cc1cccc(C)c1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 22338524 ZKPOBMLWMQEPMF-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB COC(=O)[C@@H](C)[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 118927929 RKZIYOHKBLFLTH-QIJVPLJDSA-N 394.552 2.757 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 23762809 RPQIWALMQCQCOZ-UHFFFAOYSA-N 375.903 2.513 0 40 GFAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 22801367 HQDBMYPQUIFIMK-QGZVFWFLSA-N 398.482 2.717 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)OCc3cccc(F)c3F)c(C)c12 47756001 OQZYZUJKJPEDFX-UHFFFAOYSA-N 375.375 2.833 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)NC)cc1 25576082 OKADSRDUTZFQSU-HNNXBMFYSA-N 377.444 2.520 0 40 GFAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 44337039 MCEXKTQDUNPUEP-LLVKDONJSA-N 393.490 2.872 0 40 GFAB O=S(=O)(N[C@H](Cn1cncn1)c1ccccc1)c1cccc(Cl)c1F 58231536 BTAVEHGDXXNDTL-CQSZACIVSA-N 380.832 2.790 0 40 GFAB CC(C)(C)n1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2)cn1 58244100 ORSXPLLTMNIGQR-UHFFFAOYSA-N 379.258 2.769 0 40 GFAB O=C([C@@H](O)c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 20070063 DYOTVAYYODWMRP-RDJZCZTQSA-N 382.313 2.747 0 40 GFAB CC1(C)Cc2c(sc3ncn4nc(C(=O)NCc5ccco5)nc4c23)CO1 2347001 GEKRMLIHVBHZRU-UHFFFAOYSA-N 383.433 2.713 0 40 GFAB CC(C)N1C[C@H](C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1=O 48367916 YOQSPDNROKVTEM-QGZVFWFLSA-N 397.450 2.951 0 40 GFAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 3487412 OUZJXWAQSIAMDI-AWEZNQCLSA-N 386.279 2.619 0 40 GFAB CCCN(Cn1nc(-c2ccc(C)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12924422 DURGUJDZSFMGQZ-INIZCTEOSA-N 394.566 2.783 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2cnc(C)cn2)sc(C)c1CC 3519109 JQBDUGJNFRNBRX-UHFFFAOYSA-N 391.449 2.690 0 40 GFAB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccncc1 4271564 HTCYBPKCIIYWHM-KRWDZBQOSA-N 383.835 2.948 0 40 GFAB Cc1cc(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 5281763 GOYZQRMPZHVBLW-UHFFFAOYSA-N 378.450 2.905 0 40 GFAB C[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1cccc(C(F)(F)F)c1 21917530 ZQFKFXTZCVREAH-LLVKDONJSA-N 385.386 2.993 0 40 GFAB Cc1csc([C@@](O)(CC(=O)NCCc2csc(C)n2)C(F)(F)F)n1 65554501 AODLSQPCKWYTBI-ZDUSSCGKSA-N 379.429 2.715 0 40 GFAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N)n1)c1ccccc1 6680743 LMFRDDJGUSOEIV-GFCCVEGCSA-N 396.476 2.609 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CC[C@H](N2CCCC2)C1 66193897 NIWSJGNZRANZNE-HNNXBMFYSA-N 378.904 2.857 0 40 GFAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2Br)C1=O 6762408 ZBEFLIGEOCBLNP-MRXNPFEDSA-N 382.258 2.744 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)NCc1ccccc1 4877475 GWXNMVUWHZOVLM-UHFFFAOYSA-N 399.450 2.528 0 40 GFAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C[C@@H](C)O1 15375827 LPGUAXMOIFEWAL-CALCHBBNSA-N 381.476 2.664 0 40 GFAB CCCNC(=O)[C@@H](C)OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 7224135 VTHNHRDELUQHAT-CYBMUJFWSA-N 380.400 2.559 0 40 GFAB CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 15657355 NUNQXPQFTIGXRT-UHFFFAOYSA-N 391.445 2.659 0 40 GFAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1Cl 7445720 BYOQWVNGBFDQSX-UHFFFAOYSA-N 381.810 2.805 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCO2 8984841 QAHLMQKWAJQDMG-UHFFFAOYSA-N 389.838 2.760 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c1 8268335 OFLQBOJWVGABIT-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCC(=O)c3ccccc3)cc2O1 96114770 GSDWJKMUCMTMGH-UHFFFAOYSA-N 383.400 2.514 0 40 GFAB biogenic COc1ccc(SCC(=O)N2CCS(=O)(=O)C[C@@H]2c2ccc(C)o2)cc1 72310536 AAZBZDPANUQYHR-MRXNPFEDSA-N 395.502 2.687 0 40 GFAB Oc1c(I)cc(Br)nc1Br 77011331 RCOZSTKGYDPHJR-UHFFFAOYSA-N 378.789 2.917 0 40 GFAB COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 95425081 HUGMGBHZPFGQQK-BUHFOSPRSA-N 382.416 2.942 0 40 GFAB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCN(c2ccccc2)C1=O 95465612 OUGGYMUBQWIXFM-QFBILLFUSA-N 392.377 2.748 0 40 GFAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1cccc(F)c1 79497578 FPSLRRJYIQTCBO-UHFFFAOYSA-N 388.439 2.850 0 40 GFAB COc1cc2ncn(CCC(=O)Nc3c(F)cccc3F)c(=O)c2cc1OC 36360231 ZQHCGICGZOPRMO-UHFFFAOYSA-N 389.358 2.721 0 40 GFAB Cc1nccn1-c1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1 38771565 OUMQCTGNCPCHET-UHFFFAOYSA-N 390.487 2.943 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)NCCn1ccc2ccc(Cl)cc21 71284768 JLEPZFAYSWINQM-UHFFFAOYSA-N 395.850 2.606 0 40 GFAB CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 31169185 UEGSNQRMILYNLO-UHFFFAOYSA-N 391.474 2.857 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCC1(N2CCOCC2)CCCCC1 32195525 PTQDCWYLHOHMGS-GOSISDBHSA-N 397.519 2.653 0 40 GFAB CN(CCO)C(=O)c1cc([C@@H]2CCN(Cc3cccnc3)C2)nc2ccccc12 72356013 NMCORAPZBSIQAJ-GOSISDBHSA-N 390.487 2.684 0 40 GFAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)ccc1O 36611720 SEWZRBLHMWLQDL-IBGZPJMESA-N 381.432 2.735 0 40 GFAB biogenic,in-vitro O=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 70921456 WGKKHDRSWTXZEH-UHFFFAOYSA-N 393.896 2.566 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1sc(C)nc1C)c1ccc(OC)c(OC)c1 40017257 TZCKNMJQDANFON-CYBMUJFWSA-N 378.450 2.811 0 40 GFAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 222864443 NSAHOQNYLCRVGD-MSOLQXFVSA-N 381.509 2.785 0 40 GFAB CCc1ccc(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 220266035 BLMUZIURSIHSRA-MRXNPFEDSA-N 386.517 2.988 0 40 GFAB C[C@H]1CN(C(=O)Nc2ccc(NC(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C[C@@H](C)O1 40546181 CPEBZGBZVCLRLN-GEEKYZPCSA-N 390.484 2.969 0 40 GFAB Cc1ccc(CN(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 223088579 SXLRPAGUCSBJEE-HXUWFJFHSA-N 386.517 2.950 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1CCCCC1 225204321 ISKCCWSLRBDAKN-GOSISDBHSA-N 382.526 2.936 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1ccc2c(c1)OCO2 224115357 JXLSUEOTSGOCSD-UHFFFAOYSA-N 394.493 2.578 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc2c1CCO2 526026883 MZQJWXYAXLPNDK-UHFFFAOYSA-N 379.460 2.689 0 40 GFAB Cc1cc(C)n2nc(CC(=O)Nc3nc(C)c(-c4ccccn4)s3)nc2n1 40089941 IWQSRQRDKQGVMT-UHFFFAOYSA-N 379.449 2.749 0 40 GFAB Cc1ccc(CNC(=O)CN2CCc3[nH]c4c(C)cccc4c(=O)c3C2)cc1 49003134 SXOJUOIGDCXJFM-UHFFFAOYSA-N 375.472 2.819 0 40 GFAB COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224795458 NBJKKLTZCLIJOP-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB Nc1nnc([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)s1 222645869 GCSCEVKKIDVCHX-QMMMGPOBSA-N 393.321 2.995 0 40 GFAB O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101285 XBFKYERXRNLNOU-UHFFFAOYSA-N 386.814 2.725 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccccc1C 96518287 BSNDHHRSVJLXRV-NSHDSACASA-N 386.638 2.940 0 40 GFAB O=C1CCCN1c1ccc(Cl)cc1NC(=O)C1(n2cnnn2)CCCCC1 95479775 ALJNGHMZFHPGBL-UHFFFAOYSA-N 388.859 2.751 0 40 GFAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc1C 257296409 RCSCFAMSWWYDPE-GOSISDBHSA-N 395.507 2.577 0 40 GFAB O=C(O)[C@@H]1CCN(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)C1 263506796 VYJZPBJAHDNKKI-OAHLLOKOSA-N 388.445 2.599 0 40 GFAB Fc1cc(CN2CCN(CCc3cnccn3)CC2)ccc1OCC(F)(F)F 639391489 GDYUKSOIQONSCZ-UHFFFAOYSA-N 398.404 2.917 0 40 GFAB C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55242445 RNPQHZFZUKWTQP-KDOFPFPSSA-N 380.510 2.835 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3C[S@@](C)=O)CC2=O)cc1 97139747 YBJBZSBVJGIMDF-CLYVBNDRSA-N 384.501 2.861 0 40 GFAB O[C@H]1CCN(Cc2ccccn2)CCCCCc2cc(F)ccc2OC[C@H]1O 1615161403 NHMKRXXIXASYTK-LEWJYISDSA-N 388.483 2.940 0 40 GFAB CCc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 5984075 WOSSWBJLPIPWAI-OAHLLOKOSA-N 389.473 2.650 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CNc1cccc(Cl)c1F 11624256 VIPZPBRMWORVBO-UHFFFAOYSA-N 379.819 2.963 0 40 GFAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)C1 12129238 WAQDVENUOOBVEG-WBVHZDCISA-N 385.464 2.872 0 40 GFAB CC[C@@H](C(=O)NCc1ccncc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714456 PTTIILLJZALOFL-INIZCTEOSA-N 381.885 2.596 0 40 GFAB CCOc1cc2c(cc1NC(=O)CN1C(=O)c3ccccc3C1=O)O[C@H](C)C2 18238161 FCJVLGVRAJLHME-GFCCVEGCSA-N 380.400 2.643 0 40 GFAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2cc(C(C)C)no2)C1 19452838 SSDZWZRUKIMJER-OAQYLSRUSA-N 383.448 2.768 0 40 GFAB O=C([C@H]1CC(c2ccccc2Cl)=NO1)N1CCCN(Cc2ccccn2)CC1 19662149 DBCNSDJMPRTNBF-HXUWFJFHSA-N 398.894 2.963 0 40 GFAB O=C(NC[C@@H]1CCCO1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156637 NKWOFFQHKJBSDF-ROUUACIJSA-N 390.455 2.801 0 40 GFAB CCN1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12274931 CSPDHEYWKWFOLL-MAUKXSAKSA-N 393.491 2.537 0 40 GFAB CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCc1cccc(OC)c1 14033543 ZXYXBKUACOGIEX-INIZCTEOSA-N 387.505 2.600 0 40 GFAB O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(Br)o1 371247126 KHVOBKWNCZCBNP-ZETCQYMHSA-N 393.163 2.688 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4ccnn4C)C[C@@H]3C2)nc2ccccc21 1888890896 SCATZLABKJXHDO-HZPDHXFCSA-N 378.480 2.559 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(COCCN(c3nccs3)C2)C1 1614936144 YHKOHHBRWOUYOM-LJQANCHMSA-N 388.493 2.768 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCCC1 4165917 WPVHOORCVJFQNP-UHFFFAOYSA-N 385.855 2.685 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 9035645 PLKLANKPSQUFKK-ZDUSSCGKSA-N 394.880 2.680 0 40 GFAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)c(C)c1 49403965 ISWZMTJZAWWUMT-UHFFFAOYSA-N 384.461 2.519 0 40 GFAB Cc1nc(N2CCN(C(=O)COc3ccccc3F)CC2)cc(C(F)(F)F)n1 225732407 PGKDJRAPQRATJU-UHFFFAOYSA-N 398.360 2.671 0 40 GFAB CC(C)CN1CCO[C@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 29757534 DMJVKTBVQUHYKB-CQSZACIVSA-N 375.296 2.845 0 40 GFAB O=C(NC1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1)C1CC1 40090968 RZFBRACUDUTODE-UHFFFAOYSA-N 378.476 2.881 0 40 GFAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccc(F)cc1Cl 36654531 IPHBLCOXLIJJSC-OAHLLOKOSA-N 375.787 2.581 0 40 GFAB Cc1cc(C)n(Cc2ccc(-c3noc(C(=O)NCc4ccccn4)n3)cc2)n1 31820845 XTDCCVPPOBIAAM-UHFFFAOYSA-N 388.431 2.923 0 40 GFAB COc1c2c(c(NC(=O)c3ccc(Cl)nc3)c3c1OCO3)CCN(C)C2 32123994 JENZUIAGNGIUBG-UHFFFAOYSA-N 375.812 2.713 0 40 GFAB biogenic CCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 4524233 YESGNLYFNYGMPK-UHFFFAOYSA-N 382.416 2.970 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c(C)c1 4744621 IDBUACAGYSULOL-DXWTWGPWSA-N 377.437 2.638 0 40 GFAB COCCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccoc1C 4860827 RMXSWEWHNLLBEO-UHFFFAOYSA-N 378.498 2.988 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885776 HHFWRFGKCJOBML-GKAYAJSDSA-N 392.455 2.685 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1C 7295789 ZVAMHCQQSBSFLT-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB CCOC(=O)N1CCC[C@H](C(=O)N2CCCN(C)c3nc4ccccc4nc32)C1 32764517 RRTVEAMJDGQYIS-HNNXBMFYSA-N 397.479 2.671 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 8059917 AOEMYRWKHRSDIX-UHFFFAOYSA-N 398.488 2.926 0 40 GFAB CC[C@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)NCc1ccccc1 8749348 IFRQFHOBJQXTER-KRWDZBQOSA-N 399.495 2.909 0 40 GFAB C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)N(C)C)n2Cc2ccco2)C1 11987227 NDWXEPCHQHQRMS-ZIAGYGMSSA-N 377.514 2.582 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 9303308 SWPILLKACOCUKW-NEYJZJCJSA-N 398.846 2.531 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=S)Nc1ccc(OC(F)F)cc1)C2=O 7585391 GAXHAFPBIVDHOO-UHFFFAOYSA-N 398.435 2.990 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3)n2N)c1 687654 SMGZMMJOJKSPGF-UHFFFAOYSA-N 383.477 2.919 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(CC)cc2)n(C)c1=O 12374001 XVJXGNRBNJFMBL-UHFFFAOYSA-N 381.480 2.801 0 40 GFAB CCc1ccc([C@@H](NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c2cccs2)cc1 54397354 SRJQNPPUVZJAPU-LJQANCHMSA-N 397.500 2.834 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 22328667 LJYMIQRNDOJBIB-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB Cc1ccc(Cn2nc(C)c(C(=O)NCCCN3CCOCC3)c2Cl)cc1 23731411 BLYPGDQKPUCNKC-UHFFFAOYSA-N 390.915 2.654 0 40 GFAB COc1ccc(C)cc1NC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 43279832 YAEBSGDGVJZEAX-ZDUSSCGKSA-N 377.466 2.876 0 40 GFAB CCNC(=O)[C@H](C)NC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 24833521 JUXKLGKUTLJOIN-LBPRGKRZSA-N 386.452 2.994 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)NCc1ccc(F)cc1 24830437 OVZUBDOKRDLNNG-JOCHJYFZSA-N 395.434 2.829 0 40 GFAB COc1ccc(-n2c(NN)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 1305867 NAILWUNYZQMCCB-CQSZACIVSA-N 386.477 2.839 0 40 GFAB COc1cc(CNC(=O)c2cc(OC)c(Br)c(OC)c2)ccn1 24928444 HLXMYXOAEBIXLV-UHFFFAOYSA-N 381.226 2.800 0 40 GFAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCNC(=O)COc1ccccc1 26004587 SQERYXJUQWEISS-RLLQIKCJSA-N 390.524 2.775 0 40 GFAB CC(=O)Nc1cccc(-n2c(S[C@@H]3CCCCNC3=O)nnc2C2CC2)c1 26140225 HYPANSBCLGYZNX-MRXNPFEDSA-N 385.493 2.864 0 40 GFAB CN1CCN(CC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)CC1 57066100 LHOQZNRCFIICLM-UHFFFAOYSA-N 384.549 2.910 0 40 GFAB CN(Cc1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1)c1ccccc1 67890136 JRZPXGFCHCWIMS-KDOFPFPSSA-N 377.510 2.817 0 40 GFAB biogenic,in-vitro O=C1N[C@H](c2ccccc2F)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccccc2)N1 12560740 YGCFZXCKJVSFPF-CKEIUWERSA-N 382.313 2.773 0 40 GFAB CC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 3221356 DPLGXKWEWGTXFM-UHFFFAOYSA-N 381.479 2.592 0 40 GFAB Cc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)C(F)(F)F)cc1 27753942 PHHDHGHWGZWMBX-RVKKMQEKSA-N 394.349 2.647 0 40 GFAB Cc1cc(C)c2nc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)sc2c1 3216959 DHOCPJCOOUXQGB-UHFFFAOYSA-N 384.483 2.825 0 40 GFAB O=C1COc2cc(NC(=O)NCc3ccnc(-n4cccn4)c3)c(Cl)cc2N1 58054552 YEHMLMCVEUAYMG-UHFFFAOYSA-N 398.810 2.573 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccnn1C[C@@H]1CCOC1 58295451 ANNIUKCOHYTXJB-LBPRGKRZSA-N 377.828 2.525 0 40 GFAB CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)N1C(=O)c2ccccc2C1=O 3347656 CVLHYFNUCQNQRT-UXHICEINSA-N 393.487 2.726 0 40 GFAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)CC(=O)NC3CC3)c12 48299984 DQJGWAKRKRPIDL-UHFFFAOYSA-N 382.395 2.688 0 40 GFAB COc1cccc(CNC(=O)CSc2nc3ccc(C)cc3c(=O)n2C)c1 48344562 AGTDOUJXJSGEQB-UHFFFAOYSA-N 383.473 2.659 0 40 GFAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 20152508 YIZBWRMKXTTXJI-UHFFFAOYSA-N 392.820 2.936 0 40 GFAB COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)N1CCOCC1 4060797 LYPZTVKQIQVTKS-UHFFFAOYSA-N 398.440 2.520 0 40 GFAB Cc1nc2ncnn2c(O)c1CCC(=O)NCc1ccc(Cl)cc1Cl 13688422 JGIMXXSNLYCLII-UHFFFAOYSA-N 380.235 2.694 0 40 GFAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(Br)cc1 6055677 AIZFAUPUFAQHQV-HNNXBMFYSA-N 392.205 2.771 0 40 GFAB O=C(COC(=O)Cc1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21 5017545 LAOAJYPDJNDAJH-SFHVURJKSA-N 381.428 2.737 0 40 GFAB Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)c1 28207415 UYYJLFUIIRKCOJ-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 14069723 NHDHTPQCJOVNCO-LBPRGKRZSA-N 376.844 2.641 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2C[C@H](C)O[C@@H](C)C2)c1 6417956 HCIBJUPERBWVBQ-GJZGRUSLSA-N 399.582 2.832 0 40 GFAB CC(=O)NCCc1ccc(C(=O)COC(=O)COc2ccccc2C)s1 16751993 KOUMTQRYVSLVER-UHFFFAOYSA-N 375.446 2.540 0 40 GFAB CC(=O)NCCc1ccc(C(=O)COC(=O)CCC(=O)c2ccccc2)s1 16806533 CIUMGZXDCNCBQP-UHFFFAOYSA-N 387.457 2.816 0 40 GFAB Cc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C 4816413 UELNQQWSBOYANC-UHFFFAOYSA-N 399.476 2.686 0 40 GFAB C[C@H](Sc1nnnn1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 4807596 KRIIFTWIOZNJAU-ZETCQYMHSA-N 382.421 2.731 0 40 GFAB CCN(CC)CCCNC(=O)Cc1cc(OC)c(OC)cc1Br 6938470 DVSHPNONIPRAEH-UHFFFAOYSA-N 387.318 2.857 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c(C)c1 60348559 DTRKMENDCZTWDH-UHFFFAOYSA-N 384.542 2.506 0 40 GFAB COc1ccc(C(=O)NCC(=O)NCCSCc2cccs2)cc1OC 8938762 JMWGVBHMXICAEM-UHFFFAOYSA-N 394.518 2.545 0 40 GFAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(C(F)(F)F)cc1 9043783 VNWLSSSLVUUVHA-UHFFFAOYSA-N 377.322 2.737 0 40 GFAB COc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 71279335 UZSFTDZJKJFDQJ-OCCSQVGLSA-N 375.450 2.683 0 40 GFAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 9109798 QLAZYYQDXSFFOJ-HXUWFJFHSA-N 383.835 2.910 0 40 GFAB COc1c(F)c(F)cc2c(=O)c(C(=O)NCc3cccnc3)cn(C3CC3)c12 9419333 VCQOHHNOJZYUAE-UHFFFAOYSA-N 385.370 2.948 0 40 GFAB CCCc1ccc(S(=O)(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cc1 95465321 QRVWSYVDOKLLCU-UHFFFAOYSA-N 381.542 2.890 0 40 GFAB O=C(c1ccsc1)N1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306143639 YHMXBILYHCGPLB-OAHLLOKOSA-N 397.504 2.647 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3ccccn3)CC2)c(OC(F)F)c1 95962490 IXNWWHGVTDCLRU-UHFFFAOYSA-N 392.406 2.723 0 40 GFAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1nc(-c2cccnc2)no1 79109441 WUCWITWQSKQYOV-AWEZNQCLSA-N 383.427 2.750 0 40 GFAB O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(c2ccccc2)CC1 79476444 FHICHFAFOCTUDF-INIZCTEOSA-N 385.899 2.695 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(O)c(OC)c1 79473989 VZMQLFBBORJNIJ-KRWDZBQOSA-N 391.449 2.893 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1 23589424 FYBPFFCIBRLZNA-UHFFFAOYSA-N 378.350 2.610 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 33697968 JYMXRWUUCYPDCX-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)N2CCOc3ccc(C)cc3C2)CC1=O 553176361 YRQZSLYMMTWGMC-KRWDZBQOSA-N 380.444 2.778 0 40 GFAB O=C(CN1CCOCC1)Nc1ccc2c(c1)[C@@H]1Oc3ccccc3C[C@@H]1CO2 31870849 LNSGFDQMAJJFNX-OPAMFIHVSA-N 380.444 2.642 0 40 GFAB C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 1538960066 HVRSJDZZTBPICF-HXUWFJFHSA-N 391.471 2.523 0 40 GFAB CCCC(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(=O)NC)cn1C)n2C 36369798 ASHYBWWLCKRUHG-UHFFFAOYSA-N 383.452 2.686 0 40 GFAB biogenic COc1ccc(Oc2cc(C)nc([C@H]3CCN(C(=O)c4cnn(C)c4)C3)n2)cc1 72384311 HLLWJVIDMIKMLV-HNNXBMFYSA-N 393.447 2.949 0 40 GFAB CCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1cccs1 14984571 QOOIYSHZPHABIY-UHFFFAOYSA-N 384.505 2.846 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4cccs4)CC3)nc(C)n2)n1 49422506 RAUSNKBNXODTFA-UHFFFAOYSA-N 396.520 2.540 0 40 GFAB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224813835 GYWHJAWSWWBRJH-UHFFFAOYSA-N 399.852 2.969 0 40 GFAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220138653 MBESZQWNPAJYMG-CQSZACIVSA-N 390.461 2.575 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2)cc1OC 224795860 ZTTCVYWVMXURNU-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc12 137989602 MKIIVSKXOZYXQI-UHFFFAOYSA-N 375.402 2.682 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 40389106 LONIVXUGOWXYRZ-UONOGXRCSA-N 395.463 2.522 0 40 GFAB C[C@@H](CNC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 224554706 ATCJFWPKKDYBQL-HNNXBMFYSA-N 386.473 2.531 0 40 GFAB O=C(c1cccc2cccnc12)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1 96075569 FSFLDAVGWKYQHZ-JPYJTQIMSA-N 395.503 2.578 0 40 GFAB COc1ccc(C(=O)N2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)cc1 96269093 OPVYXQKXCPNOSA-LJQANCHMSA-N 379.460 2.766 0 40 GFAB biogenic,in-vitro CC(=O)N1CCN(c2ccc3ccc(C(=O)Nc4ccccc4F)cn23)CC1 96155972 VMYORMJDWZXWGS-UHFFFAOYSA-N 380.423 2.999 0 40 GFAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)CCCC(=O)O)[C@H]3C[C@@H]21 257314288 UWFHIUCOSZGPHM-IWKLRQMXSA-N 389.448 2.865 0 40 GFAB CN1C(=O)C2(CCN(C(=O)c3ccccn3)CC2)C[C@@H]1Cc1cccc(F)c1 257328768 XHAWDLHUUGJMPZ-SFHVURJKSA-N 381.451 2.917 0 40 GFAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)NC(CO)CO)ccc3O2)cc1 257239187 HOHCMUYDNZSAKZ-DEOSSOPVSA-N 397.515 2.758 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccccc1 257277421 NXXAYJMIEZBYNI-IRLDBZIGSA-N 393.487 2.809 0 40 GFAB CC(=O)N1CC2(CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)[C@H]2COC[C@H]21 1615591229 RZQPGOAUXYRAEF-ZWKOTPCHSA-N 382.460 2.841 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CNC(=O)c2ccccc21 625996083 OGFIGMHQCJMURN-TYCQWZJGSA-N 377.488 2.540 0 40 GFAB Cc1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)ccn1 1615153428 CVQALPAMKPZYMQ-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB COc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1Br 8091532 PLQANZLZUVXDAE-WEVVVXLNSA-N 390.031 2.743 0 40 GFAB C[C@@H](Sc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 5273216 WXDZCORPUBMETR-MRXNPFEDSA-N 390.530 2.700 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccc(OC)c3)n2)cc1 5396392 LZTLHNTXYIYAHJ-UHFFFAOYSA-N 393.443 2.634 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(Cl)c2Cl)NC(=S)N1 5861884 YCKIAAPGCHNQRA-CQSZACIVSA-N 386.304 2.645 0 40 GFAB COc1ccc([C@@H](C)NC(=O)Cn2nc(C)n3c(cc4sccc43)c2=O)cc1 12115240 VJISXCNTDKOCHV-GFCCVEGCSA-N 396.472 2.905 0 40 GFAB CCn1nc(C)c(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)c1C 12276740 SNUOJLONXQVSCL-UHFFFAOYSA-N 389.463 2.597 0 40 GFAB CCc1ccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)n2)cc1 12555776 SDPVELSVRXVJMJ-CYBMUJFWSA-N 398.488 2.898 0 40 GFAB CCOCCCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)NC1=S 15259219 FQPHQJONSQNJEG-UKTHLTGXSA-N 384.885 2.841 0 40 GFAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 18179113 JUJRYFQPETYALS-HZPDHXFCSA-N 399.878 2.961 0 40 GFAB C[C@@](O)(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19367100 MFDVLMOVSSULIJ-WXFUMESZSA-N 396.531 2.668 0 40 GFAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1csc(-c2ccccc2F)n1 19500331 MTYXFVHFGXBJAB-HNNXBMFYSA-N 390.528 2.634 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590430 CQACSZQEPFLLJC-OAHLLOKOSA-N 396.491 2.502 0 40 GFAB CC(C)CC(=O)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700890 ZHNRVBDBZNWTGT-QHCPKHFHSA-N 395.503 2.584 0 40 GFAB C[C@@H](Nc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1)c1cccnc1 19717540 CWLBIJXLDWJTNB-ZIAGYGMSSA-N 388.431 2.657 0 40 GFAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)CC2CCCC2)cc(N(C)C)n1 19760210 VXDKNBIZWWAPAZ-GOSISDBHSA-N 387.528 2.765 0 40 GFAB C[C@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[C@@]1(C)CO 664213924 SHLITAFKRZMDIT-BONVTDFDSA-N 395.809 2.793 0 40 GFAB Cc1nc(C)c(C(=O)N2Cc3nc4cc(-c5ccccn5)nn4c(O)c3C2)s1 19560176 DCRKNUVMRYMNKG-UHFFFAOYSA-N 392.444 2.726 0 40 GFAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)CCC3)c1 15922747 KAHYBTGPNPMQOM-UHFFFAOYSA-N 388.489 2.661 0 40 GFAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCN(c2cnccn2)C1 29956441 KINNNVCCTVZNLL-LPHOPBHVSA-N 382.464 2.890 0 40 GFAB COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)cc1 19554569 XXKHXARKRLPAQA-HXUWFJFHSA-N 380.492 2.817 0 40 GFAB COc1ccc(C(=O)N2CCC[C@]3(CCCN(c4nccc(C)n4)C3)C2)cn1 2056224556 VHEZRBBAHRTINW-NRFANRHFSA-N 381.480 2.711 0 40 GFAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1cccc(C(F)(F)F)c1 4499749 AIGZTXAAQGCZJS-UHFFFAOYSA-N 380.351 2.839 0 40 GFAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864189 UQUKDJJZDWBVQO-QGZVFWFLSA-N 391.924 2.971 0 40 GFAB Cc1cc(C)cc(C(=O)NCCn2ncc3c(N4CCCCC4)ncnc32)c1 11665962 RXLXTLPFHMWIRA-UHFFFAOYSA-N 378.480 2.863 0 40 GFAB COCCNC(=O)C1(Nc2nccs2)CCN(Cc2ccccc2C)CC1 2055738979 FNKUBTHQAVAATR-UHFFFAOYSA-N 388.537 2.661 0 40 GFAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)nn1C 22768195 XSDOUZYFIBQDGC-UHFFFAOYSA-N 399.520 2.707 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)s1 23108091 MRIPWXUNFPOXHH-INIZCTEOSA-N 384.498 2.547 0 40 GFAB O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(C2CCCC2)CC1 23127374 TVEDOSKHSFWWBR-UHFFFAOYSA-N 377.916 2.727 0 40 GFAB O=C(Cn1cnc2ccccc21)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206838785 DQPRTRLPOBROEE-INIZCTEOSA-N 389.415 2.712 0 40 GFAB COCCCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1C 22066265 KNYNPBSPFHFPML-UHFFFAOYSA-N 375.450 2.656 0 40 GFAB in-vitro Cc1nn(C)c2ncc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc12 40062141 DZULEOSUJCRSOH-OAHLLOKOSA-N 393.495 2.614 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NCc3c(C)nn(C)c3Cl)CC2)cc1 30653289 FENBWOQOACEIOJ-UHFFFAOYSA-N 396.944 2.633 0 40 GFAB CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1CCc1ccccc1 1463398 NGWGUZPTFODHNV-UHFFFAOYSA-N 391.349 2.557 0 40 GFAB O=C(N[C@H](Cn1cccn1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2585974 LFIMKADLAIDVGC-LJQANCHMSA-N 377.400 2.875 0 40 GFAB Cc1cc([C@@H]2CCCN2C(=O)Cn2cnc3c(oc4ccccc43)c2=O)no1 29244128 FRRUTUALHIFJPQ-HNNXBMFYSA-N 378.388 2.803 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccccc2)C(=O)[C@]31C 4044286 HZNIWQWMVHVXSY-QHCPKHFHSA-N 389.455 2.819 0 40 GFAB biogenic CC1(C)Oc2ccc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)cc2O1 46097927 RYCDQBVBHDYJRI-UHFFFAOYSA-N 395.415 2.898 0 40 GFAB CCOC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 6531287 FXVGNDBZHQJFKB-UHFFFAOYSA-N 375.450 2.876 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 7295802 VNXKXRIIYYCURO-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COC(=O)c1sccc1NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 21448277 IYRBHYBABORMOR-OAHLLOKOSA-N 376.434 2.749 0 40 GFAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]23)c1OC 102545330 NCPIHPKANQWILO-VQIMIIECSA-N 380.400 2.613 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)OCc1cnn(-c2ccccc2)c1 21833119 GANAZHGFMAUBHQ-UHFFFAOYSA-N 380.429 2.777 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 22191566 IJHLLNYSXLTKOE-UHFFFAOYSA-N 394.431 2.765 0 40 GFAB O=C(OCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 100750233 VPPDEEZJOFBAPZ-XFGYDDDFSA-N 375.424 2.712 0 40 GFAB Cc1cccc(CN2CCN(Cn3nc4nc(C)cc(C)n4c3=S)CC2)c1 22815696 SWLDWAOLTGQSII-UHFFFAOYSA-N 382.537 2.961 0 40 GFAB O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1 100433674 JBUDETLIPALPHD-IAGOWNOFSA-N 384.505 2.897 0 40 GFAB COC(=O)c1cccc(N2C(=O)C(Cl)=C(N3CCc4ccccc4C3)C2=O)c1 938515 ZMXYCKOJKYNVFM-UHFFFAOYSA-N 396.830 2.855 0 40 GFAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1OCc1cn2ccccc2n1 24477995 QPVBDMPTHUZACL-UHFFFAOYSA-N 375.432 2.919 0 40 GFAB Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1 57670373 XTDGOZLJCMHBSN-CTNGQTDRSA-N 398.555 2.988 0 40 GFAB Cc1c(C(=O)Nc2ccccc2NS(C)(=O)=O)cnn1-c1ccc(F)cc1 24897024 OQQAMASHTWSWQV-UHFFFAOYSA-N 388.424 2.944 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(C(=O)N2CCCC2)CC1 25057724 GJBQVVFSEXVDRP-UHFFFAOYSA-N 393.915 2.930 0 40 GFAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCN(C(=O)C3CC3)CC2)s1 25591090 MUKVURUYYOCKPU-UHFFFAOYSA-N 387.480 2.881 0 40 GFAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)NCc1ccc2c(c1)OCO2 57507978 CNQDAQFWALVMNN-UHFFFAOYSA-N 393.424 2.656 0 40 GFAB Cc1cccc(N2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)CC2)c1 12523601 HDVYCVKATFHYOW-GOSISDBHSA-N 392.503 2.881 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc2ncsc2c1 10219080 IOTJPJHPKUTPCR-UHFFFAOYSA-N 388.412 2.576 0 40 GFAB CCn1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)nc2ccccc21 12530817 HKVAOEAJNVOONB-GFCCVEGCSA-N 390.440 2.501 0 40 GFAB CCOC(=O)CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 58440754 XOSLJUKTDQHKJX-QGZVFWFLSA-N 398.434 2.771 0 40 GFAB CCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1OCC 2368130 XFUZHPNSHYWQOC-GZTJUZNOSA-N 394.456 2.558 0 40 GFAB O=C(CN1CCN(C(=O)CCc2ccccc2F)CC1)Nc1cccc(F)c1 36451903 ORCRKHBIEQEEQD-UHFFFAOYSA-N 387.430 2.680 0 40 GFAB C[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccc(-n2ccnc2)cc1 48094780 FQJZXDOONPKVBI-HNNXBMFYSA-N 375.494 2.797 0 40 GFAB O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(CN2CCCC2=O)c1 48312036 BAUDBJUCTLGOQD-UHFFFAOYSA-N 375.428 2.763 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCCSc1ccc(F)cc1 12821928 DGDGGELIPAKJAI-UHFFFAOYSA-N 390.436 2.583 0 40 GFAB CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 12863363 KJAKLAFTGUYJCH-UHFFFAOYSA-N 399.466 2.900 0 40 GFAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)cc1 12846959 DZAXUXRFJJKDJB-YJBOKZPZSA-N 396.443 2.876 0 40 GFAB Cc1ccc(-c2noc(COC(=O)Cc3nn(C)c(=O)c4ccccc34)n2)cc1 12805104 CAGUFCPUDYIQOP-UHFFFAOYSA-N 390.399 2.578 0 40 GFAB Cc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1F 12922491 ROAHYBQQSYUPJC-CQSZACIVSA-N 383.423 2.970 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 12937151 LSTPSVKDBFGSOI-QGZVFWFLSA-N 399.516 2.830 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 6315119 UZPINFLZQQXKRI-ZETCQYMHSA-N 387.093 2.525 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1OC 14018443 LYRUVFMHYNNWSG-UHFFFAOYSA-N 375.377 2.760 0 40 GFAB CSCC[C@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc3ccccc3c2)C1=O 14016199 QCEHCDXPSUGXJW-CXAGYDPISA-N 385.489 2.691 0 40 GFAB CCOc1ccc(C[C@@H](CNC(=O)COc2ccccc2Cl)C(N)=O)cc1 65562685 MECGQELLOVEDQS-HNNXBMFYSA-N 390.867 2.578 0 40 GFAB O=C(c1cnn(C(=O)Cn2nnc3ccccc32)c1)c1cc(Cl)ccc1O 14166574 HLBHVBBAUMDZKD-UHFFFAOYSA-N 381.779 2.558 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2cc(Br)ccc2=O)c1 14168953 KWIWKEQVSJZIAV-NSHDSACASA-N 395.253 2.505 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(CN2CCCC2=O)c1 14233256 RDUZHCICFLCBOL-UHFFFAOYSA-N 380.444 2.553 0 40 GFAB O=S(=O)(c1ccc(Sc2ccc3c(c2)OCCO3)nc1)N1CCCC1 6509408 SPVNXOKSSOTREI-UHFFFAOYSA-N 378.475 2.789 0 40 GFAB C[C@@H](C(=O)N1N=CC[C@]1(O)C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1 6850511 YBTXKHPJACKOSE-MADCSZMMSA-N 384.280 2.809 0 40 GFAB Cc1ccnc(-n2c(S[C@@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)c1 5923393 CEWORCSGPUYEIR-ZDUSSCGKSA-N 380.473 2.848 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@H](c2cc3c(cc2Br)OCO3)N1 7127180 VFEPUDOVJZOZOF-CQSZACIVSA-N 386.209 2.624 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCn1c(C)csc1=O)c1ccccc1Cl 8727353 OUCGVNMSDJDUHP-CQSZACIVSA-N 382.869 2.682 0 40 GFAB O=C(/C=C/Sc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 7960148 XLVFXUFYMYKWRG-LFIBNONCSA-N 388.514 2.826 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccc(Cl)cc1 9184583 DEUWWYDLBWOFIR-KRWDZBQOSA-N 385.851 2.857 0 40 GFAB Cn1cc(CN2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)cn1 306143579 YFZCGYMMSSKBCT-QGZVFWFLSA-N 380.477 2.765 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccc3[nH]ncc3c2)C1 97000992 PTOZWZJOTVGVOM-GOSISDBHSA-N 377.404 2.699 0 40 GFAB CC1CCN(C[C@H](O)CNC(=O)c2csc(-c3ccc(F)cc3)n2)CC1 84699882 HCBMWUIYXSYHNI-MRXNPFEDSA-N 377.485 2.772 0 40 GFAB CCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)CCNC(=O)N(C)C 95456147 WLTREBDVBOAOJS-UHFFFAOYSA-N 376.379 2.839 0 40 GFAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(N2CCCCC2)cn1 95955574 XCIOMHFEAHIJJB-UHFFFAOYSA-N 392.456 2.835 0 40 GFAB CCc1ccc(CN2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)cc1 306127580 GCPWITIYXUUKQD-IRLDBZIGSA-N 382.508 2.901 0 40 GFAB O=C(Nc1ccsc1C(=O)N1CCN(C2CCCCC2)CC1)c1cnccn1 67335784 HZCQDNKIQAHJNH-UHFFFAOYSA-N 399.520 2.881 0 40 GFAB CCn1c(C)c(/C=c2\sc3nc(C)c(C)c(=O)n3c2=O)c2cccc(C)c21 409046843 RXPHGYIOQMNTNR-YVLHZVERSA-N 379.485 2.872 0 40 GFAB COc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)cc1 306134869 OAGZKBAWZRCTPK-UHFFFAOYSA-N 393.491 2.983 0 40 GFAB CC(C)Cc1nnc(NC(=O)CCc2nnc3ccc(OC(C)C)nn23)s1 72405781 XNVXTMPGOZBEJQ-UHFFFAOYSA-N 389.485 2.533 0 40 GFAB COCCn1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 79192880 CPOJHQCZCCZKQL-LAUBAEHRSA-N 397.519 2.642 0 40 GFAB biogenic COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 39963964 KXFCXMHPECMEEQ-QGZVFWFLSA-N 382.395 2.738 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 30940079 YOGLBSPXGAZYGV-UHFFFAOYSA-N 378.432 2.560 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C[C@@H](O)c2cccs2)CC1 49031219 CWJLDANWAUNRFQ-OAHLLOKOSA-N 388.518 2.691 0 40 GFAB CCOc1cccc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220179224 UFOOVKOBYPNUDN-CQSZACIVSA-N 392.477 2.887 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(NC(=O)[C@@H](C)NC)cc2)c1C(F)(F)F 569942242 YCLUSZSQJJEXSB-SNVBAGLBSA-N 384.358 2.614 0 40 GFAB C[C@H](C(=O)NCCCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220314626 BOSRECYTEQBZEO-OAHLLOKOSA-N 378.469 2.729 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 222657357 BUGJGYGWCMWPRK-UHFFFAOYSA-N 376.478 2.663 0 40 GFAB O[C@@H]1CCN(Cc2nc(C3(O)CCN(CC4CCCCC4)CC3)cs2)C1 225464870 JANYLXGIGDZVSM-QGZVFWFLSA-N 379.570 2.573 0 40 GFAB biogenic,in-vitro CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223261848 OMIFSMXLCBXSCY-PWIZWCRZSA-N 399.564 2.596 0 40 GFAB COc1ccc(-c2[nH]nc(C)c2CC(=O)NCc2ccc3c(c2)OCO3)cc1 95478237 MPCOVHKEXRPXDL-UHFFFAOYSA-N 379.416 2.981 0 40 GFAB CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)Nc4ccccc4F)cn23)C1 96156270 RKALHVFMXWDQRN-CYBMUJFWSA-N 396.426 2.592 0 40 GFAB COCCn1c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc2ccccc21 95479080 FXDUJONGYPWPGB-UHFFFAOYSA-N 393.369 2.554 0 40 GFAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)CN4CCCCCC4)C[C@H]23)cc1 257235909 HABDXYSVQAKTFA-YPAWHYETSA-N 385.552 2.817 0 40 GFAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4ccccn4)OCC[C@@]31C2 257259192 KXGZNKHRRAOPTQ-WBNVOKHJSA-N 385.508 2.548 0 40 GFAB CC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 257290476 QDCKEISRNPOCGV-SFHVURJKSA-N 378.476 2.643 0 40 GFAB CCC(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NCC3CC3)c(C)n2n1 257320520 VXEKPYVYYNCXBB-LJQANCHMSA-N 397.523 2.878 0 40 GFAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4ccncc4)OCC[C@@]31C2 257305656 SQWZXKNEFOGFIX-LJKBXEIESA-N 385.508 2.548 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@H](c2ccnc(Nc3cnccn3)n2)C1 257223877 DZIFUSJVXJGAFW-HNNXBMFYSA-N 378.411 2.708 0 40 GFAB O=C(N[C@@H]1CC2(CCNCC2)Oc2ccccc21)[C@@H]1CNCc2ccccc21 1122224720 OVVKCQXCTHWXEP-WOJBJXKFSA-N 377.488 2.636 0 40 GFAB Cc1ccc(C(=O)NC2CCN(C(=O)NCc3cn4ccccc4n3)CC2)cc1 636479266 YSVAFWZBKAXCKM-UHFFFAOYSA-N 391.475 2.747 0 40 GFAB CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C(C)(C)n2cc(N)cn2)n1 656559267 MQMFSMFQTPPHEN-UHFFFAOYSA-N 388.859 2.950 0 40 GFAB CC[C@H]1CN(Cc2cnn3c2CCC3)[C@H](CC)CN1Cc1cnn2c1CCC2 667713369 CXGCWZSQPAGLRS-BGYRXZFFSA-N 382.556 2.847 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099422 KWDQDCPQZIVPRM-UHFFFAOYSA-N 388.445 2.886 0 40 GFAB CC[C@@H](C)NC(=O)CCNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 56914858 XNZAVAQVBDYRIA-CQSZACIVSA-N 396.482 2.533 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1F 58167685 RCJVHYLAVPJCHN-UHFFFAOYSA-N 375.831 2.876 0 40 GFAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)NC4CCCCC4)C3)n2)c1 77191191 LWHVNDOZWYBKNN-UHFFFAOYSA-N 383.452 2.538 0 40 GFAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 5597699 WZHXSPWZDFLGBW-RQJABVFESA-N 381.450 2.694 0 40 GFAB COc1cc(/C=C/[C@@H](NC(C)=O)c2cccc(O)c(=O)c2)cc(OC)c1OC 5663182 SAZUUYOLIGRZAJ-ROJDOSBLSA-N 385.416 2.669 0 40 GFAB Cc1cc(-c2cnc(C)nc2C2CCN(CC(=O)NCc3ccco3)CC2)on1 12118331 LJZPZOHLYJDFQM-UHFFFAOYSA-N 395.463 2.837 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cnn(-c2ccc(F)cc2)c1 12203463 XLTBVVZDCZOKPT-UHFFFAOYSA-N 394.406 2.736 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 13005491 SAAYCUCYAUYYLH-GOSISDBHSA-N 376.453 2.595 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(C)s2)c(=O)[nH]c1=O 14670052 KZEUFZLMWBNKDV-UHFFFAOYSA-N 378.498 2.592 0 40 GFAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 19500329 XKDIQYPPIWPVTJ-KRWDZBQOSA-N 390.528 2.634 0 40 GFAB Cc1nn(CC(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)c(C)c1C 19556661 XKKGTPIIRBPUBV-UHFFFAOYSA-N 394.523 2.587 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238890073 QMSYRFBKPBICCD-LURJTMIESA-N 387.792 2.982 0 40 GFAB C[C@H]1CCCCN1CC(=O)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 12239914 UPRNSZJHKLXJLR-KRWDZBQOSA-N 386.540 2.550 0 40 GFAB COc1ccc(-c2nnc(SCn3nnc4ccccc4c3=O)o2)cc1OC 6932098 LEBVQWVEKSXSNA-UHFFFAOYSA-N 397.416 2.609 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(Cc3ccccc3F)no2)c1=O 1889279679 LUJTTWHKNGRFPE-UHFFFAOYSA-N 394.406 2.734 0 40 GFAB O=C(c1ncccc1F)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037988407 FBMIUIMBQMMIRR-OAQYLSRUSA-N 383.423 2.649 0 40 GFAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(OCC2CCOCC2)nc1 253398165 GQJACISCVCZQKY-UHFFFAOYSA-N 396.491 2.812 0 40 GFAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc32)cc1 4139885 PXSIDTPYPUWFOP-UHFFFAOYSA-N 379.807 2.822 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3F)c2C(N)=O)C1 4274503 TWUBYDMBXQRYGM-UHFFFAOYSA-N 391.424 2.753 0 40 GFAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)C[C@H](C)O1 4341476 ZGQRVVITNSUPJT-KBPBESRZSA-N 383.477 2.543 0 40 GFAB COc1ccc(CCNC(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9039986 QSHHUOZXOJUWJA-INIZCTEOSA-N 385.439 2.729 0 40 GFAB CCOc1c(C)cc(S(=O)(=O)NC[C@@H](c2cccn2C)N(C)C)cc1C 11897986 UVIDAAVVJMFAGW-SFHVURJKSA-N 379.526 2.622 0 40 GFAB O=C1CN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1 21009855 KLALKCAYCBOFQK-UHFFFAOYSA-N 392.864 2.879 0 40 GFAB Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)cc1 19135657 YCHAUCWKSIGHSZ-AEFFLSMTSA-N 377.492 2.818 0 40 GFAB CCN1C[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)CC1=O 19526973 SGVPGSRUIGDLSW-ROPHOZQPSA-N 387.499 2.521 0 40 GFAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)NCc1ccco1)S2 20060447 FSYJPUATBIABCF-HUUCEWRRSA-N 389.868 2.908 0 40 GFAB CC(C)c1nc2oc3c(N(C[C@H](C)O)C[C@H](C)O)ncnc3c2c2c1CCC2 2434926 VAFZXGPDYAKHPW-STQMWFEESA-N 384.480 2.951 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)c(OC)c1 917156 YSEFXQXBTFAEQN-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 8072163 ANPZTHULAWBFAX-UHFFFAOYSA-N 386.517 2.626 0 40 GFAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCc2ccccc2C1 2467686 CVMKJDKDTJBRNY-QGZVFWFLSA-N 390.530 2.734 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1 6733196 UGACFEYITKYOKJ-UHFFFAOYSA-N 399.428 2.879 0 40 GFAB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2c1C 7778958 XJVROOPDMWOVEO-UHFFFAOYSA-N 378.388 2.750 0 40 GFAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10315127 IXUGLLGEISFVFA-UHFFFAOYSA-N 389.477 2.792 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Br)o2)c1C 10803151 RUJNNVJSOORUKX-UHFFFAOYSA-N 384.182 2.813 0 40 GFAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC[C@@H]3CCCO3)c2C1 2663987 XLHFRGRHCGOPAD-GJZGRUSLSA-N 382.460 2.812 0 40 GFAB COc1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 2662259 KVADSRPFYDAWKI-UHFFFAOYSA-N 384.417 2.735 0 40 GFAB COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N2CCCC2)c1 41596622 DSMLBKXJXZRPKZ-OAQYLSRUSA-N 399.535 2.597 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCO2 816614 ARZXJGLARJIPOA-UHFFFAOYSA-N 398.440 2.973 0 40 GFAB COc1ccc(CN2CCN([C@@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1F 22912244 NICLWKPMDAIJOT-KSZLIROESA-N 391.531 2.845 0 40 GFAB CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 915207 HUDGGRLXPMQYLD-QFIPXVFZSA-N 381.428 2.619 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)c1cccnc1OCC(F)(F)F 24868638 KVCBVVWFKOEYDG-UHFFFAOYSA-N 397.353 2.708 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc3ccccc3oc2=O)cc1 24060225 KTIRTJOQZBGJTM-FQEVSTJZSA-N 392.455 2.905 0 40 GFAB C[C@@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388620 YYLALWXEJOYRET-MRXNPFEDSA-N 387.379 2.869 0 40 GFAB C[C@@H](C(=O)Nc1nc(-c2ccccn2)cs1)n1nnc2ccccc2c1=O 61719410 UIOSLKNHXYZWBE-NSHDSACASA-N 378.417 2.510 0 40 GFAB O=C([C@@H]1Cc2ccccc2S1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107157130 VMUXUBAHURMICW-DYXWJJEUSA-N 380.513 2.815 0 40 GFAB O=C(CN1CCN(C(=O)CCc2ccc(F)cc2)CC1)Nc1cccc(F)c1 35268973 OAGJDSRAYXQXIZ-UHFFFAOYSA-N 387.430 2.680 0 40 GFAB CCN(C(=O)[C@@H](C)Nc1ccc2c3c(cccc13)CC2)[C@H]1CCS(=O)(=O)C1 12563365 OUSGVOISFHVLSQ-PBHICJAKSA-N 386.517 2.774 0 40 GFAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 10053838 VXANRUNZSPOQKH-IBGZPJMESA-N 388.489 2.874 0 40 GFAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)c(OC)c1OC 3218242 CVSYYFWUPSFQMK-UHFFFAOYSA-N 387.388 2.711 0 40 GFAB CCn1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c(=O)c2ccc(C)nc21 3271379 YAFBYYSYGLRAMY-HUUCEWRRSA-N 385.464 2.671 0 40 GFAB CCn1c(=O)n(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 12777564 XNOCNANQWWQHHJ-LJQANCHMSA-N 392.503 2.604 0 40 GFAB CC1CCN(S(=O)(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 48279498 DIGVDCSKRUEWPJ-UHFFFAOYSA-N 375.494 2.727 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N1CCCC1 12859547 QVTZKRLAUGQJPH-RRFJBIMHSA-N 398.381 2.692 0 40 GFAB CSc1ccccc1NC(=O)CN1CCN(C(=O)c2cccs2)CC1 12906340 SWKYEABOHBQQGH-UHFFFAOYSA-N 375.519 2.867 0 40 GFAB NC(=O)CSc1nnc(SCC(=O)c2ccc(OC(F)F)cc2)s1 13002724 WWTUZQDPZYMMKJ-UHFFFAOYSA-N 391.446 2.692 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1ccccc1 4081859 YHICUNAHHKRDAR-XOBRGWDASA-N 384.457 2.590 0 40 GFAB biogenic CCOC(=O)Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCCC3 13689667 XJRCXWYDXJRILQ-UHFFFAOYSA-N 398.444 2.808 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 5120238 HQBDRKQRSYPGJQ-UHFFFAOYSA-N 380.853 2.802 0 40 GFAB COC(=O)C[C@H](NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1 14015850 RJZXHZCYSJKFTD-INIZCTEOSA-N 387.432 2.812 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NC2CC2)S(=O)(=O)c2cccc(C)c2)cc1 6579634 PWXBMMPRUDQSSL-HNNXBMFYSA-N 388.489 2.866 0 40 GFAB COc1ccc([C@@H]2C[C@H](c3ccc4c(c3)OCO4)n3nnnc3N2)cc1OC 6661706 XBKVNOHOKCUVDN-UONOGXRCSA-N 381.392 2.565 0 40 GFAB COc1ccc(Cc2nn3c(=O)c(-c4ccccc4)nnc3s2)cc1OC 6757737 GYALRLDZPPGMBQ-UHFFFAOYSA-N 380.429 2.821 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 5743506 GZZVNIBCAKGMAF-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1ccc(OC)c(NC(=O)COc2cc(C(C)=O)ccc2NC(C)=O)c1 8777935 JFRWQPZKOMWOLZ-UHFFFAOYSA-N 386.404 2.882 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3F)n(-c3ccc4c(c3)OCO4)cc2n(C)c1=O 15083264 QLDDIJCQOARPNQ-UHFFFAOYSA-N 393.374 2.563 0 40 GFAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O 8878681 ZKTVWZBOJPSRDD-OAQYLSRUSA-N 383.448 2.993 0 40 GFAB O=C(Cn1nc2ccccn2c1=O)N(c1ccc2c(c1)OCO2)C1CCCCC1 84606587 YZHNSJZEILOMHT-UHFFFAOYSA-N 394.431 2.591 0 40 GFAB C[C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)c2nccn2-c2ccccc2)[C@@H]1C 84689767 YXMXQLXLHZNEOM-BFYDXBDKSA-N 375.494 2.587 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2OCC)cc1 408602261 IMMUGBTYRLRACM-CQSZACIVSA-N 392.477 2.790 0 40 GFAB CN1CCN(c2ccc(C(=O)N[C@@H](c3ccn(C)c3)C(F)(F)F)cc2F)CC1 95431793 VFBOGRFJYFHVIO-KRWDZBQOSA-N 398.404 2.949 0 40 GFAB CC[C@](C)(CCCNS(=O)(=O)c1cc(OC)ccc1OC)C1OCCO1 95406753 DMPZMVPGXSHFMX-GOSISDBHSA-N 387.498 2.552 0 40 GFAB Cc1ccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O 95972144 PVINYUUSUQGEJT-SJKOYZFVSA-N 381.881 2.904 0 40 GFAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)Nc1cc[nH]n1 79060815 GDBZPMWTZLLCSB-GFCCVEGCSA-N 388.852 2.534 0 40 GFAB CC(C)Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 408623835 SIMIYFMYXGMERB-GQCTYLIASA-N 399.307 3.162 0 40 GFAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 20022686 JOBSZKHOZPRUKE-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccoc2)cc1 408736861 JPCILMMWZDRMJY-HXUWFJFHSA-N 398.484 2.794 0 40 GFAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCC(C(N)=O)CC2)cc1 408678594 SZIIKSYVUUTKKX-UHFFFAOYSA-N 389.455 2.821 0 40 GFAB CCn1ncc(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)n1 528889071 YDDRLNVDLIAYBF-UHFFFAOYSA-N 379.346 2.824 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)ncn1 1148896245 MRQVBWCTEQKFOZ-UHFFFAOYSA-N 387.369 2.674 0 40 GFAB O=C(c1ccc(N2CCCC2)nn1)N1CCN(c2ccc(F)c(Cl)c2)CC1 77099882 ADTIJARRXAPSLM-UHFFFAOYSA-N 389.862 2.832 0 40 GFAB CC(C)C(=O)N1CCO[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389018 FWVXPECQJPUCJV-HSZRJFAPSA-N 395.503 2.633 0 40 GFAB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccc(F)cc3)nc21 36617215 SSNBCQWTJCLXEM-UHFFFAOYSA-N 375.381 2.605 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)COCc3ccccc3)C2)ccn1 72356496 RMCKCHXGVSIYBJ-GOSISDBHSA-N 391.475 2.977 0 40 GFAB COc1cc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc(OC)c1OC 44916951 YMULNCVQWCVSQB-UHFFFAOYSA-N 389.456 2.678 0 40 GFAB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 226320813 NAYFKERATFMCGJ-OJBMOBIPSA-N 388.489 2.823 0 40 GFAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224893174 LQJXORCHXHROGP-UHFFFAOYSA-N 378.450 2.877 0 40 GFAB C[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220442211 YCONCPRIYOFNPS-ZDUSSCGKSA-N 382.432 2.778 0 40 GFAB Cn1nc(CNC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2c1=O 77099378 HVMDBTNCYOQMRF-UHFFFAOYSA-N 392.242 2.936 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2ccnc(N3CCCCC3)n2)cc1OC 224208739 IOJUHDQTUUZJLT-VQHVLOKHSA-N 382.464 2.814 0 40 GFAB CCN1CCn2c(C)cnc2C12CCN(C(=O)Cc1cccc(OC)c1)CC2 96145016 DXUJZSXUCNDFEC-UHFFFAOYSA-N 382.508 2.596 0 40 GFAB Cc1ccccc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237910 PZKHGUFJALZTLW-JOCHJYFZSA-N 381.451 2.697 0 40 GFAB Cn1ncc2c1CCCN(C(=O)NC[C@@H]1CCCN(Cc3cccs3)C1)C2 583981285 OMVRLQAZRWYNFX-INIZCTEOSA-N 387.553 2.852 0 40 GFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCc1ccc2c(c1)OCO2 253473795 YLNGTEQIDABKID-UHFFFAOYSA-N 378.384 2.505 0 40 GFAB CN([C@@H]1CCC[C@@H](Nc2ccccc2Cc2ccccc2)[C@@H]1O)S(C)(=O)=O 257304831 SNIMYRGIUHAISS-NJYVYQBISA-N 388.533 2.863 0 40 GFAB CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH][nH]1 257229819 FZOURPBTRQSOJG-AEFFLSMTSA-N 386.496 2.661 0 40 GFAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCO)CCOCC2)cc1 257218809 DEMIYQYIKZBEKD-UHFFFAOYSA-N 387.451 2.949 0 40 GFAB CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1nc(O)n[nH]1)CC1CCCCC1 585088753 SJAQYKFHOMRELL-CQSZACIVSA-N 395.504 2.770 0 40 GFAB Cn1ccc(NC(=O)CN2CCCCC[C@@H]3N[C@H](Cc4ccccc4)C[C@@]32C)n1 257226471 FKSUSCTXDIEGSC-QTEQDKRBSA-N 395.551 2.967 0 40 GFAB Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC[C@H]2CCCO2)n1 260715126 LYHFVSGXMCWGBX-QGZVFWFLSA-N 383.521 2.813 0 40 GFAB CN1CCN(CC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)CC1 643365130 XJEOWZUBRSBWIC-SFHVURJKSA-N 394.357 2.620 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N(CCc2cccs2)Cc2ccoc2)CC1 90748454 MCUNKEBFBWOMHV-UHFFFAOYSA-N 396.534 2.584 0 40 GFAB O=C(Cc1cc2ccccc2o1)N[C@@H]1[C@H]2C[C@H]1N(C(=O)Cc1ccsc1)C2 1615611432 LVYZIMZPZDHKMD-LUQKVYGDSA-N 380.469 2.995 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100394 MVBLOZIWSJYGGN-JOCHJYFZSA-N 389.515 2.505 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cc(=O)n4c(C)csc4n3)C2)n1 47261112 WGSCQLWCIVDFBS-HNNXBMFYSA-N 397.504 2.619 0 40 GFAB Cc1ccc(CN2CC[C@H](O)[C@H](O)COCCCCOc3ccccc32)cn1 1615162628 ZZCBMZWVDPKWSK-LEWJYISDSA-N 386.492 2.698 0 40 GFAB CC(=O)CCCC(=O)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615129870 NJKGWDMFICAVBF-NRFANRHFSA-N 390.455 2.700 0 40 GFAB CCc1nn(CC(=O)NCc2ccccc2OC)c(=O)c2cc3ccsc3n12 12114283 ZSXDDRNYUGRFKZ-UHFFFAOYSA-N 396.472 2.598 0 40 GFAB Cc1c(C(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)cnn1C 12184906 PMHPOGRMDVGQKT-CYBMUJFWSA-N 392.385 2.969 0 40 GFAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCCc1ccccc1 14001188 MAKNYGHMNZZEMJ-UHFFFAOYSA-N 378.407 2.766 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCc1ccccc1 14197478 HZBVETPNEKWHQP-QGZVFWFLSA-N 380.897 2.959 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)ccc4OC)C[C@@H]32)c(OC)n1 19133231 KMDUGRKGKQFJOG-LZFQIVBZSA-N 399.491 2.540 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)C1=O 19460137 MYYWTTIFBZWPCK-CAMMJAKZSA-N 383.492 2.796 0 40 GFAB C[C@@H]1Cc2cc(CN(C)C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)ccc2O1 19714257 ADMJMEXRPPTQCY-OAHLLOKOSA-N 393.487 2.792 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929612 KRWZHZRKSVQQHX-INIZCTEOSA-N 390.505 2.892 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1C 204049273 WIPNXAGFADJDOY-UHFFFAOYSA-N 382.825 2.903 0 40 GFAB CCn1cc(S(=O)(=O)N[C@H](Cc2ccsc2)c2cccnc2)c(C)n1 19524680 YYNQBKAZQIXVSL-MRXNPFEDSA-N 376.507 2.930 0 40 GFAB COCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COC)ccc3c2=O)cc1 2061000050 ZEMDQVWQBGRUPB-UHFFFAOYSA-N 398.367 2.564 0 40 GFAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 4275145 RADQRJOTJIPXIH-UHFFFAOYSA-N 377.853 2.657 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3cccs3)o2)cc1 4496228 DGYRPZYQVVZWKG-UHFFFAOYSA-N 377.447 2.909 0 40 GFAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 5123472 KRUMCVNCTNAZTN-KRWDZBQOSA-N 397.475 2.659 0 40 GFAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)C3CCCCC3)c2=O)cc1 9016236 BSKXQHJRGBKPSP-UHFFFAOYSA-N 393.491 2.646 0 40 GFAB COc1ccc(CCNC(=O)NC[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9039315 KSZXLDGJRYNJSZ-QGZVFWFLSA-N 397.475 2.599 0 40 GFAB CCn1ccc2ccn(CCNC(=O)c3cnn(-c4ccccc4)c3C)c(=O)c21 575616925 LLRTWQDBEHGCGN-UHFFFAOYSA-N 389.459 2.747 0 40 GFAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)COC2=O)CC1 585327027 WZMBJOCKNWCAIY-UHFFFAOYSA-N 393.443 2.929 0 40 GFAB O=C(NCCc1nnc2ccc(NCCc3ccccc3)nn12)c1ccccc1 4358575 PZVFBBCNTKEXIW-UHFFFAOYSA-N 386.459 2.751 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)NCCN1CCc3ccccc3C1)CC2 40067997 XFBDWJGCFSFLHK-UHFFFAOYSA-N 395.503 2.830 0 40 GFAB O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1ccc2c(c1)OCCO2 40150858 AZBJZYVNQDKHNG-UHFFFAOYSA-N 390.339 2.595 0 40 GFAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@H](CN1CCCC1=O)c1ccccc1 40120978 XHALBXSFXLSVPW-GOSISDBHSA-N 390.447 2.753 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCSC1CCCC1 40142012 VPFXBCQBIAZGSW-UHFFFAOYSA-N 381.889 2.730 0 40 GFAB C[C@H](NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1)c1cc2ccccc2o1 30587925 PUXIHOGWIJTPMX-AWEZNQCLSA-N 399.472 2.858 0 40 GFAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccs1 8132906 UVTHPCAWAUTSDO-UHFFFAOYSA-N 377.425 2.889 0 40 GFAB Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 36615825 GFPZHZYQBAYOOL-ZDUSSCGKSA-N 378.436 2.860 0 40 GFAB COc1cc(OC)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1Cl 11285458 APQMWBYUDGSKKG-UHFFFAOYSA-N 395.824 2.874 0 40 GFAB COc1cc(C2=C3C(=O)OC[C@@H]3Cc3cc4c(cc32)OCO4)cc(OC)c1OC 1713804 RHQXIIWKHDCEMQ-ZDUSSCGKSA-N 396.395 2.972 0 40 GFAB CC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O 20589670 GEQKXLRMVMZAHK-SFHVURJKSA-N 375.350 2.870 0 40 GFAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 11622363 AZQLQQLPDYJKIM-RBSFLKMASA-N 389.525 2.715 0 40 GFAB O=C1CC2=C[C@H](NCCc3c[nH]c4ccccc34)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 20612207 DACSTSLWMITFKA-QXUYBEEESA-N 377.488 2.921 0 40 GFAB biogenic CCN(CC)CCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NC 4162021 JZOOKSMZBHFBIT-UHFFFAOYSA-N 390.553 2.575 0 40 GFAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898394 WZJGOWDXWWPANU-UHFFFAOYSA-N 398.594 2.876 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCC2 6579234 ZCDVEIRJKHJEHG-UHFFFAOYSA-N 377.393 2.958 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 8476044 WIFBROWHZFTSDV-UHFFFAOYSA-N 384.841 2.518 0 40 GFAB CC[C@H](C)NC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10370247 ZGMPUDAQCRAKGL-LBPRGKRZSA-N 376.906 2.810 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 32863256 WIWLJNDNNKHLMK-WMZOPIPTSA-N 379.526 2.590 0 40 GFAB O=C([C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCOCC1 105502760 AUEATDBODKTTBT-NSHDSACASA-N 377.794 2.829 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccccc1I)C31CC1 100199641 KXTANTNNZLNZLA-TXFQPVFDSA-N 391.208 2.993 0 40 GFAB CCn1nc(C)c(CN(C)C(=O)c2cc3ncc(Br)cn3n2)c1C 2790930 DJNQBYKNBPTEPV-UHFFFAOYSA-N 391.273 2.597 0 40 GFAB O=C(NC1CCN(C(=O)c2ccccc2)CC1)C1=NO[C@H](c2ccccc2)C1 53010180 IWFPNAQZFOFTLX-FQEVSTJZSA-N 377.444 2.925 0 40 GFAB O=C(CCNC(=O)[C@@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 12391930 JFVQFEVGHVWLBL-HNNXBMFYSA-N 383.429 2.581 0 40 GFAB NC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 22688946 SAKMWDTZQNSNNO-UHFFFAOYSA-N 395.440 2.839 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c(C)c1 102752836 IDBUACAGYSULOL-ZNFSNMQZSA-N 377.437 2.638 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 20044792 PYGYLUXKLLURIW-LBPRGKRZSA-N 379.434 2.515 0 40 GFAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 52410880 VEIGGOCIHGBUEA-UHFFFAOYSA-N 389.477 2.928 0 40 GFAB COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c(OC)c1 1291803 YMMAQXHTYNFPCN-SFHVURJKSA-N 399.451 2.855 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)N(C)C[C@@H]3COc4ccccc4O3)c(C)n2n1 24659793 LJTVYMBSGUDISW-QGZVFWFLSA-N 394.475 2.886 0 40 GFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113956969 MDXKFJURMWMRDX-CQSZACIVSA-N 394.468 2.695 0 40 GFAB Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3ccc(F)c(F)c3)cn2)n1 56097000 VUQUNDBDYJKYRL-UHFFFAOYSA-N 378.404 2.641 0 40 GFAB Cc1cc(O)nc(SCC(=O)Nc2ccc(Br)cc2)c1C(N)=O 28465170 WXFDEWBCGCCCCV-UHFFFAOYSA-N 396.266 2.688 0 40 GFAB Cc1nnc(SCCNS(=O)(=O)c2ccccc2)n1Cc1ccccc1 48187209 ZYUYFXWANVQZKO-UHFFFAOYSA-N 388.518 2.705 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CC[C@@H]2CCCO2)c1 58168662 LMJHWILMALKNSM-WBVHZDCISA-N 382.526 2.795 0 40 GFAB Cc1sc2ncn(CCC(=O)Nc3nnc(C4CC4)s3)c(=O)c2c1C 58184019 RPYGNVRUSBASRD-UHFFFAOYSA-N 375.479 2.833 0 40 GFAB NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 3363378 ORHZXARCLXXEMO-UHFFFAOYSA-N 389.458 2.828 0 40 GFAB Cn1nc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c2ccccc21 44836741 WWSJYCKZFJAWNZ-UHFFFAOYSA-N 378.344 2.709 0 40 GFAB CN(C(=O)COc1cccc(S(C)(=O)=O)c1)C1C2CC3CC(C2)CC1C3 58407530 UCGYBUIVXUVVQB-UHFFFAOYSA-N 377.506 2.752 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccncc4)C[C@H]32)cs1 306133604 MQPYFGJHYIKPHX-RBUKOAKNSA-N 379.489 2.730 0 40 GFAB COc1ccc(CN(C(=O)/C=C/c2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 2393617 CNOJCFXTCYLZJM-ROJDOSBLSA-N 375.446 2.517 0 40 GFAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)cc1 12825593 BFWKIUIDQBNGQF-UHFFFAOYSA-N 383.491 2.660 0 40 GFAB CNC(=O)c1nn(CN(C)Cc2ccc(SC)cc2)c(=O)c2ccccc12 12813826 JNADZNIQZRQBGO-UHFFFAOYSA-N 382.489 2.568 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12921950 WEYSAOAFOLENEE-QGZVFWFLSA-N 387.457 2.839 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 12972953 KPRKMOOXEYUFJJ-UHFFFAOYSA-N 394.475 2.641 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 13685655 CUDFNCKDBSXOQQ-FSZRXZPDSA-N 378.469 2.518 0 40 GFAB O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 6125351 PGPCIVKCUJSLRE-UHFFFAOYSA-N 399.466 2.680 0 40 GFAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COc1cccc(Br)c1 14235876 ZRIULNJHSIHKCW-CYBMUJFWSA-N 382.254 2.508 0 40 GFAB COc1ccccc1CCNC(=O)CNC(=O)Cc1cccc2ccccc12 6583218 CGADWADRTKRONP-UHFFFAOYSA-N 376.456 2.866 0 40 GFAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5557226 WDITZCBQFPAWQC-YWWNBQKISA-N 396.487 2.896 0 40 GFAB COc1ccc2c(C)c(CC(=O)N=c3[nH]c4ccccc4[nH]3)c(=O)oc2c1C 6662181 SUCYEWLFCAWNJS-UHFFFAOYSA-N 377.400 2.898 0 40 GFAB Cc1cccc2nc(C(=O)OCc3cc(=O)n4c5c(sc4n3)CCCC5)cn12 6976025 MHGJUTVHZZSNLB-UHFFFAOYSA-N 394.456 2.948 0 40 GFAB CN(Cc1cccs1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 5936982 SFVCHDRVUFLYRK-UHFFFAOYSA-N 378.519 2.807 0 40 GFAB Cc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)cc1C 15513960 MEDXHJUEJSIVBB-UHFFFAOYSA-N 396.476 2.810 0 40 GFAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccccc1 7251696 QACLWLURSFECFO-FQEVSTJZSA-N 379.460 2.905 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccccc3N3CCOCC3)cnc12 8720327 RMCNOSZVLRILSH-UHFFFAOYSA-N 392.459 2.570 0 40 GFAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16025017 BKBWMJHSTIUDBM-VPCSNGCSSA-N 389.883 2.515 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 9858508 ULXGSDVSTXINTL-NSHDSACASA-N 399.882 2.908 0 40 GFAB COc1ccc(NC(=O)CN2CCC(c3nnc4ccccn34)CC2)cc1OC 96955514 UFBWGVVGJISPHR-UHFFFAOYSA-N 395.463 2.565 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 72235962 GOEHEQLWICNVTM-MRXNPFEDSA-N 398.410 2.828 0 40 GFAB Cc1oc(CN(C)C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)cc1C(=O)O 95425074 XYUWVUVCRLZFHT-CQSZACIVSA-N 382.482 2.582 0 40 GFAB C[C@@H](C(=O)O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 89598258 LEEILLUJALCKIJ-NSHDSACASA-N 376.350 2.768 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 408593309 PGUUTWXFKBUISF-LICLKQGHSA-N 375.384 2.667 0 40 GFAB CN(CC(=O)O)C1CCN(C(=O)c2ccc(Cl)cc2Br)CC1 548682122 APKBQNNHHAIHHX-UHFFFAOYSA-N 389.677 2.724 0 40 GFAB Cc1cc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc(C)c1Cl 77200516 OXCCPYKISNPYLA-UHFFFAOYSA-N 376.844 2.601 0 40 GFAB O=C(CN1CCN(c2nccs2)CC1)Nc1ncc(Cc2ccccc2)s1 36752827 NYSWTJKMVDZJTC-UHFFFAOYSA-N 399.545 2.951 0 40 GFAB COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 72363081 RQCQLERGJNXPCZ-INIZCTEOSA-N 393.447 2.880 0 40 GFAB CCOCCCNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217580909 HWAGBJOTWSRUJM-UHFFFAOYSA-N 384.498 2.834 0 40 GFAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 32854944 MVLIUGBTNYKGDQ-WHWKNOJMSA-N 376.503 2.945 0 40 GFAB CC[C@@]1(C)CC2=C(CO1)S[C@H]1N=NN(CC(=O)Nc3nccs3)C(=O)[C@H]21 35323880 VQINPRLEKIENQI-IOASZLSFSA-N 393.494 2.823 0 40 GFAB Cc1nnc(NC(=O)[C@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)s1 62022939 PUXZGAPBBGAQKQ-NSHDSACASA-N 390.494 2.809 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C)cc1C 33680128 FNTQLQWTBNEIHB-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB COC(=O)c1cn(C(=O)c2ccc(CN3CCOCC3)cc2)c2ccccc12 222571088 APNWCOJGXSLXHW-UHFFFAOYSA-N 378.428 2.949 0 40 GFAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N1CCC(Cc2ccccc2)CC1 225878475 DQGQCGPBVJHISW-UHFFFAOYSA-N 393.534 2.918 0 40 GFAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222988370 OEMBWIVWZQZCGQ-GOSISDBHSA-N 398.503 2.808 0 40 GFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)Cc3ccccc3)CC2)n[nH]1 225563841 JTIUWUFWNSZJNT-UHFFFAOYSA-N 394.397 2.651 0 40 GFAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(C(F)(F)F)cc1 224156775 TUGPEGVAQPLJNK-UHFFFAOYSA-N 386.399 2.574 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220299590 IEXVBYPYNBISIA-CYBMUJFWSA-N 380.441 2.936 0 40 GFAB CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 225209410 XFWRJUXEBYBFAE-KRWDZBQOSA-N 380.554 2.822 0 40 GFAB CCc1ccc(NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1OC 577344740 LNWDBQZABLGDMO-UHFFFAOYSA-N 395.525 2.680 0 40 GFAB COc1cccc2nc(C[C@H]3CN(C4CCOCC4)CC[C@H]3CC(=O)O)[nH]c12 514289067 NDMZDRRQMKQJPG-GJZGRUSLSA-N 387.480 2.706 0 40 GFAB biogenic,in-vitro Cn1nccc1C(=O)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594128 BNIRMXSEISKBGM-UHFFFAOYSA-N 382.367 2.952 0 40 GFAB COc1ccc(CN2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)cc1 96244070 XVVYLVXFSBIPGI-JOCHJYFZSA-N 380.492 2.981 0 40 GFAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)c3cccc(O)n3)CC2)C1 257298623 RMNSSYCFMAGLAA-QGZVFWFLSA-N 385.439 2.826 0 40 GFAB O=C1CC[C@H](c2cccc(NC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)c2)N1 627756855 CMVXJXXHJBAHNF-PKOBYXMFSA-N 377.444 2.739 0 40 GFAB Cc1nnnn1-c1cc(NC(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)ccc1F 652463298 JTFOSBHARWHETH-MAUKXSAKSA-N 397.414 2.547 0 40 GFAB CCNCc1ccn(Cc2cn([C@H](CC3CCCCC3)c3ncccn3)nn2)n1 656441113 SWGRHIGIWTWSFP-HXUWFJFHSA-N 394.527 2.982 0 40 GFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340619 GWESJMKGBYKCOI-UHFFFAOYSA-N 397.325 2.935 0 40 GFAB CNC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1 55188366 IFGLOUXJHIJMJJ-MRXNPFEDSA-N 386.477 2.672 0 40 GFAB CNC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1ccccc1C(F)(F)F 1563770839 IYHKDQIEHKZABU-AWEZNQCLSA-N 386.418 2.741 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3cc(F)ccc3F)C2)Oc2ccccc21 96367569 NSIPHGFPTVICCL-GOSISDBHSA-N 379.384 2.763 0 40 GFAB Cc1cc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)no1 1615132079 WXXSKEGPMRWJIE-FQEVSTJZSA-N 387.411 2.550 0 40 GFAB O=C(CCc1ccco1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615123529 SSYYXSONZDKOEH-UHFFFAOYSA-N 386.423 2.776 0 40 GFAB CC1(C)C[C@@H]2CN(C(=O)CCN3CCOCC3)CC[C@@H]2N1c1ccc(F)cc1 1615161429 XMZKQXBGWYOPND-XLIONFOSSA-N 389.515 2.754 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)c1 12114672 RKCQACSUYWKFBW-UHFFFAOYSA-N 384.461 2.660 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC(=O)c4ccccc4O3)C2)c(F)c1 13267262 MHFFWFZDGPPRAR-VLIAUNLRSA-N 396.418 2.811 0 40 GFAB C[C@@H]1CN(C[C@@H](O)COc2c(F)cc(Br)cc2F)C[C@@H](C)O1 13301829 MEDVQDWRNABAKE-CKYFFXLPSA-N 380.229 2.576 0 40 GFAB COc1ccccc1CNC(=O)CCn1cnc2c([nH]c3ccc(F)cc32)c1=O 14001199 SNSBALWVDIZFPS-UHFFFAOYSA-N 394.406 2.732 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(C)c1 16146801 ZGRARFOISPSWQX-UHFFFAOYSA-N 396.534 2.971 0 40 GFAB Cc1cc(-c2cn(CCO)nc2[C@H]2CCCCN2C(=O)c2ccccn2)on1 19121429 IOINPPQPKUZDAT-QGZVFWFLSA-N 381.436 2.601 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)cn1 19238816 CYJUTULLIWNASQ-IXPVHAAZSA-N 394.401 2.919 0 40 GFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)C(C)C)CCO1 19529213 NIDIYBUCLKKRSN-QHCPKHFHSA-N 395.503 2.681 0 40 GFAB CN(C)c1ncc(CN2CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C2)cn1 19704548 LNNLSLJIOOJSLF-INIZCTEOSA-N 396.470 2.973 0 40 GFAB COCC(=O)N1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 19766175 WXNKBEAJGRQFSY-ZDUSSCGKSA-N 388.855 2.653 0 40 GFAB CO[C@@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1C 227683215 LIHXQLJIMSHIEZ-KNBMTAEXSA-N 379.522 2.997 0 40 GFAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 22129840 FAOZLTXFLGPHNG-SJTSTTJWSA-N 376.468 2.923 0 40 GFAB in-vitro COc1ccc([C@@H](CC(=O)O)NC(=O)Cc2ccc3c(c2)CCO3)cc1OC 13257030 TVWPPXRDMDEPHU-MRXNPFEDSA-N 385.416 2.513 0 40 GFAB CCOC(=O)C1=C(CN(Cc2ccco2)C2CC2)NC(=O)N[C@@H]1c1ccco1 26928646 INYVZSTVVWWIRL-GOSISDBHSA-N 385.420 2.708 0 40 GFAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)c[nH]1 39984247 IZNXLRXQMCJJFH-UHFFFAOYSA-N 377.194 2.620 0 40 GFAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 238840950 HUGPEIJHTCOLCJ-ZDUSSCGKSA-N 396.822 2.953 0 40 GFAB O=C(Cc1noc2ccccc12)NCc1nnc2ccc(-c3ccsc3)nn12 238967013 ZAVJBFBIHXVYGO-UHFFFAOYSA-N 390.428 2.853 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1cccc(C(F)(F)F)c1 2491983 DMRATLRBZVDGBY-GFCCVEGCSA-N 397.300 2.639 0 40 GFAB Cc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)no1 4341586 AVNGYWHHZITHRY-UHFFFAOYSA-N 384.396 2.982 0 40 GFAB O=C(NCc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)cc1 9616702 HNQXQLUYEZUZCR-UHFFFAOYSA-N 376.395 2.954 0 40 GFAB O=C(c1ccc(Oc2nccs2)cc1)N1CCN(c2cccnc2)C(=O)C1 585150479 XQAQETNVKPDCNG-UHFFFAOYSA-N 380.429 2.819 0 40 GFAB COc1ccc(-n2ncc(C(=O)C3CCN(C(=O)CC(C)C)CC3)c2N)cc1 19446267 FKLKQWXDDTZETD-UHFFFAOYSA-N 384.480 2.931 0 40 GFAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCN(c2ccccc2O)CC1 40040167 SFNIVTMGMLZLID-KRWDZBQOSA-N 382.460 2.912 0 40 GFAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2)n(-c2ccccc2)n1 40087736 QOLHDINMZWBSCF-UHFFFAOYSA-N 377.448 2.690 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 40062909 GVMIQQVNEAUTAY-QFBILLFUSA-N 375.488 2.669 0 40 GFAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 40151829 BCQDTDTZWVBWHD-IBGZPJMESA-N 397.475 2.630 0 40 GFAB CCOC(=O)Cn1nc(SC)n2c(=O)c3c4c(sc3nc12)CCCCC4 40287580 SJZGXQZBIGXBME-UHFFFAOYSA-N 392.506 2.660 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CCCn1c(C)csc1=O)CC2 31034900 ZKAZEZQSJDROLW-UHFFFAOYSA-N 376.478 2.601 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(Cc3nc(-c4ccccc4)no3)c(=O)c12 7553993 YKSRBARTCAGTNE-UHFFFAOYSA-N 380.360 2.573 0 40 GFAB COC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101112310 JIOWDABCXAKUTG-NVXWUHKLSA-N 397.818 2.556 0 40 GFAB COc1ccc(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCC3)cc1 2966357 IQAVKKVUKWFVKZ-JOCHJYFZSA-N 383.468 2.973 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c(OC)c1 3522012 WRNTXZCDXQOWKZ-NRFANRHFSA-N 382.416 2.662 0 40 GFAB Cc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 4569845 DRRPWRHCSHHOSU-UHFFFAOYSA-N 389.506 2.883 0 40 GFAB COc1cccc(C2=NO[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 4904248 LZRRFQMFXNHRFC-NRFANRHFSA-N 395.459 2.546 0 40 GFAB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)O)CC2)cc1 4966919 NYPOVTUJJCORRS-UHFFFAOYSA-N 387.457 2.977 0 40 GFAB COP(=O)(OC)Oc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 6692969 SPVKDJVZEGSJSS-CYBMUJFWSA-N 389.341 2.987 0 40 GFAB CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cc(C)ccc1OC 6779364 SYZXREBPRJNQMP-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 7684834 NMGJYBRVMIGNEW-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 8929656 SVPVXCBWOOVMHU-UHFFFAOYSA-N 382.416 2.527 0 40 GFAB O=C(C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1)n1ccnc1 102907406 GBKYWIZQNQBKBT-UHFFFAOYSA-N 385.832 2.928 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325664 WLVXSSXBPKJLHZ-INIZCTEOSA-N 375.494 2.665 0 40 GFAB Cn1c(S)nc2cc(C(=O)NCCc3ccc(Cl)s3)ccc2c1=O 103547723 SCFJYONLFCQECN-UHFFFAOYSA-N 379.894 2.910 0 40 GFAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Cl)cnn1C)CC[C@H](C)C3 2778275 SENRJOHJJNVBOM-QMMMGPOBSA-N 391.884 2.662 0 40 GFAB CC(C)OC(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1 938845 JAOOWQIQUUHSHS-UHFFFAOYSA-N 375.446 2.805 0 40 GFAB COc1cc(NC(=O)[C@H](C)On2nnc3ccc(Cl)cc32)cc(OC)c1 24035776 HYDKMGCHMLOTPF-JTQLQIEISA-N 376.800 2.558 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22772465 YVCOMEAUFYEZHF-MRXNPFEDSA-N 397.475 2.569 0 40 GFAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccn(C)n1 24373374 YMFMJSYMODMEJI-UHFFFAOYSA-N 380.651 2.645 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2ccccc2)c1=O 57525817 ODHRKLJBDCQLEK-UHFFFAOYSA-N 393.487 2.868 0 40 GFAB COc1ccc(NCC(=O)NC(=O)NCc2ccccc2)cc1OC(F)F 23902679 DHSZDFUMZFWDHS-UHFFFAOYSA-N 379.363 2.735 0 40 GFAB Cc1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943390 RYBMOPSKWYFFTF-UHFFFAOYSA-N 390.461 2.909 0 40 GFAB Cc1sc2ncn(CC(=O)N3CCO[C@H](c4ccccc4)C3)c(=O)c2c1C 27910261 BRYJKEWAWZOIFK-INIZCTEOSA-N 383.473 2.675 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 48346123 ZQDVRHVTLPTBBZ-AWEZNQCLSA-N 398.488 2.954 0 40 GFAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 68339095 SFQUILBLOSDEAD-GTNSWQLSSA-N 394.880 2.511 0 40 GFAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 12815161 PKHGEJSHNQMSES-QGZVFWFLSA-N 389.459 2.876 0 40 GFAB COc1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N2CCCC2)cc1 7779354 ULUOSBMMIISHBM-IBGZPJMESA-N 378.469 2.950 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 3595962 TUQIQWJTECDISC-ADLMAVQZSA-N 379.844 2.788 0 40 GFAB O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)n[nH]1 64837157 YAFSMMZHRZYWAI-UHFFFAOYSA-N 375.837 2.569 0 40 GFAB COc1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 14183551 AFJMSXHAYFUXNZ-ZDUSSCGKSA-N 386.473 2.785 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 4689031 WYWIKRVKMCMNJN-MRXNPFEDSA-N 390.505 2.501 0 40 GFAB Nc1nccnc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14506012 OPECYXXAOIVEGI-UHFFFAOYSA-N 384.443 2.901 0 40 GFAB C[C@H]1CCN(C(=O)COc2cccc(-n3cnnn3)c2)c2ccccc2S1 5672570 RBGWXHIOMMCNBQ-AWEZNQCLSA-N 381.461 2.959 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(=O)CC3)cc2)cc1C 6713686 NNBHFUIROJEBLE-UHFFFAOYSA-N 386.473 2.909 0 40 GFAB CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)C[C@H]2C=CCC2)CC1 66550143 QBAGBIPUPPSKNA-IBGZPJMESA-N 391.556 2.736 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1 92195065 HBQNBGVCFYNSLF-UHFFFAOYSA-N 396.414 2.957 0 40 GFAB CCCNC(=O)CSc1nnc(SCC(=O)Nc2ccccc2)s1 7290144 HYWNOWLLOUMOEK-UHFFFAOYSA-N 382.536 2.887 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8914062 VETLWDZWXNBKAO-MRXNPFEDSA-N 394.475 2.682 0 40 GFAB COC[C@@H](C)n1c(SCc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 8943141 PZYPQZGKCZPQBM-CYBMUJFWSA-N 383.473 2.995 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 408603750 GYFDWIGZHGCOBC-UHFFFAOYSA-N 376.434 2.931 0 40 GFAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCC2(CC1)OCCO2 9418862 NEXAFRCNXZYFGP-UHFFFAOYSA-N 391.471 2.993 0 40 GFAB O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO 78975164 DIRZDXUOSTZEIU-KXBFYZLASA-N 375.419 2.969 0 40 GFAB CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CCS(=O)(=O)C(C)C 95432470 BQXXREGSJQSKGO-PXNSSMCTSA-N 381.586 2.746 0 40 GFAB C[C@@]1(c2cccnc2)NC(=O)N(CCOc2cccc(Br)c2)C1=O 79015341 SJNONSOZHSYJDL-KRWDZBQOSA-N 390.237 2.690 0 40 GFAB Cc1c(C(=O)N2CCc3c(ncn3C3CC3)C2)nnn1-c1cccc(Cl)c1 89556324 XVYDWJOGVLYQSA-UHFFFAOYSA-N 382.855 2.959 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 64946754 FVQDOLUAGJHPNM-UHFFFAOYSA-N 392.458 2.578 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 32585457 QYPYQXNKYQPTIO-UHFFFAOYSA-N 386.223 2.713 0 40 GFAB c1ccc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)nc1 35424616 IRYGUGYPWFCTCX-SFHVURJKSA-N 392.463 2.700 0 40 GFAB biogenic,in-vitro CC(C)OCCCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 33089011 CUFXQOYKXULHRU-UHFFFAOYSA-N 393.281 2.865 0 40 GFAB O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)N1CCSCC1 1565524970 TZVXRZIIQQGEOY-UHFFFAOYSA-N 376.547 2.874 0 40 GFAB Cc1cccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1 34791405 RGGCOHIOEOUGNN-UHFFFAOYSA-N 393.476 2.647 0 40 GFAB COc1ccc(CC(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)cc1 40386291 IMHFESOBOIJNEU-IBGZPJMESA-N 378.428 2.806 0 40 GFAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(OC)c1 224803373 QBFYSQUCONPQRZ-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225947847 JKMLBATYEBYWCH-DNVCBOLYSA-N 392.496 2.944 0 40 GFAB C[C@H](COc1ccccc1)NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225782834 ZMGYDKZHFHSHJJ-CQSZACIVSA-N 393.534 2.836 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)c1 40285147 YQYOANJTEZOOKS-UHFFFAOYSA-N 382.449 2.813 0 40 GFAB COc1cc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc(OC)c1OC 45631350 NFWFTUQAWNCPFS-UHFFFAOYSA-N 380.784 2.556 0 40 GFAB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220609252 JRRSBJKQDWYZNR-IBGZPJMESA-N 390.505 2.898 0 40 GFAB CCOC(=O)c1c(NC(=O)c2cn(C)c(=O)cc2OC)sc2c1CCCC2 225652270 LRFQUQPGETUDGU-UHFFFAOYSA-N 390.461 2.763 0 40 GFAB CCC(CC)C(=O)N1C[C@@H]2Oc3cc(-c4cnn(C)c4)ccc3C(=O)N(C)[C@@H]2C1 514289982 QHZLYXMZZIGVKL-QUCCMNQESA-N 396.491 2.567 0 40 GFAB biogenic,in-vitro Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 224140930 QJKKTQQKSHIDJO-VQIMIIECSA-N 390.505 2.511 0 40 GFAB COc1ccc(CN2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@@H]3C2)cc1F 96245539 MCGKZBTZBNOGIT-OALUTQOASA-N 383.467 2.752 0 40 GFAB O=C(C1=COCCO1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594127 WAZNRXDWSJTJFN-UHFFFAOYSA-N 386.351 2.793 0 40 GFAB CCOc1ccc([C@H](N)c2n[nH]c(CNc3ccc(OC)cc3)n2)cc1OC 95534254 IRFPDOWWOGBFCL-IBGZPJMESA-N 383.452 2.881 0 40 GFAB O=C(NCc1ccccc1)N1CCc2nc(C(=O)N3CCCC3)sc2CC1 96088000 ZTKBCCRSBZAZJQ-UHFFFAOYSA-N 384.505 2.690 0 40 GFAB O=C(c1cc2c(nc1NCC1CC1)CCN(c1ccncn1)CC2)N1CCCC1 96260613 UQUSZBXYTJAECG-UHFFFAOYSA-N 392.507 2.535 0 40 GFAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1 248106213 FZSFXAWJVYORPU-RKVPGOIHSA-N 380.496 2.797 0 40 GFAB Cc1nccn1CC(=O)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257288419 PUCIWKOOHFZUDC-FXAWDEMLSA-N 397.475 2.819 0 40 GFAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(OCCN2CCCC2)cc1 257268458 MLTCBSZJGLWRHF-NHCUHLMSSA-N 399.535 2.777 0 40 GFAB NC(=O)c1cccc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 531516964 ODYCYIONTGYDJB-QGZVFWFLSA-N 391.427 2.566 0 40 GFAB CS[C@H]1CCN(c2ncc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)C1 1615053385 MMUZQRWDUCGTHP-NSHDSACASA-N 395.472 2.827 0 40 GFAB O=C(Nc1cccc(CSC2CCCC2)c1)N1CCn2nnc(CO)c2C1 602866691 TUQMVNWMJVCISN-UHFFFAOYSA-N 387.509 2.994 0 40 GFAB Cc1ccc2nc([C@H]3CCCN([C@@H]4CCCCN(CC(=O)O)C4=O)C3)[nH]c2c1 643876167 MXDAIOHQYYZKIE-MAUKXSAKSA-N 384.480 2.516 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCCn3ccc(C(F)(F)F)n3)CC2=O)cc1C 96099005 APROXGVEZIAIPS-AWEZNQCLSA-N 394.397 2.688 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(OC)c1ccccc1F 96123592 YLOMCDPZMXQJED-INIZCTEOSA-N 387.454 2.514 0 40 GFAB CCOC(=O)[C@@H](Cc1cc(-c2ccccc2Cl)on1)CN1CCN(C)CC1 96316084 JELAZEWGZNGTFU-HNNXBMFYSA-N 391.899 2.964 0 40 GFAB O=C([C@@H]1COc2ccccc2C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414616 CPPVRXQQLYDMEI-YJBOKZPZSA-N 391.514 2.688 0 40 GFAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4ccnc(F)c4)C3)C2=O)n1 585101014 UUJXWQHOGSVLDM-NRFANRHFSA-N 382.439 2.579 0 40 GFAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1oc3ccccc3c1C)CC2 585096378 KXUQSMGGHIPBBC-AWEZNQCLSA-N 396.447 2.531 0 40 GFAB O=C1N[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5525117 FVUGRJYVDVXNIE-WWGRRREGSA-N 399.756 2.839 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O 5721926 JBDCHLDQUYNEHW-OAHLLOKOSA-N 378.837 2.772 0 40 GFAB COc1ccc(-c2nc(C)sc2CC(=O)N(C)CCN(C)C)cc1OC 12238243 PAFMFIMBQUYKQP-UHFFFAOYSA-N 377.510 2.698 0 40 GFAB COc1ccc(OCCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 12750834 KHUITCFQOOJKNP-NRFANRHFSA-N 399.443 2.607 0 40 GFAB Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1Cl 13010945 YTDLZBDNIDFMDF-UHFFFAOYSA-N 399.886 2.869 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@@H](C)CCc1ccccc1 13582993 CDZUWYHDDQKMJM-HNNXBMFYSA-N 390.505 2.842 0 40 GFAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713285 SEKCMJUQPRKOPL-LJQANCHMSA-N 390.505 2.865 0 40 GFAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16575249 BRPFEYFXRJVEEV-HNNXBMFYSA-N 382.526 2.837 0 40 GFAB Cc1cc(-c2cnc(NCCN3CCOCC3)nc2-c2cccnc2C)on1 19124053 GDENUPHRXJOCEN-UHFFFAOYSA-N 380.452 2.555 0 40 GFAB O=C(c1cc([C@@H]2CCCN(Cc3cccc(F)c3)C2)no1)N1CCC(O)CC1 19293828 BRBFPDLDFPGFDH-MRXNPFEDSA-N 387.455 2.790 0 40 GFAB C[C@H](Cc1cc(=O)[nH]c(NC2CCN(Cc3ccccc3)CC2)n1)n1cccn1 19456749 QXRVSMHSMKQKBB-QGZVFWFLSA-N 392.507 2.847 0 40 GFAB CCCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccncc2)(C(=O)N(C)C)C1 19501521 JJJZTQOFOQGESS-HSZRJFAPSA-N 395.503 2.777 0 40 GFAB Cc1nn(C)cc1CN1CCC([C@@H](NC(=O)C2CCC2)c2ccccn2)CC1 19583758 GRPRTHTXFIBDIZ-OAQYLSRUSA-N 381.524 2.993 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)c4cc[nH]n4)CC3)nc2cc1OC 19550983 KJOVCFGZLYXLPQ-UHFFFAOYSA-N 381.436 2.577 0 40 GFAB CCSc1ncc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cn1 19520523 ZZYBMVSVPQXJNV-OAHLLOKOSA-N 392.550 2.767 0 40 GFAB FC(F)(F)c1ccc(N2C[C@@H]3CN(Cc4n[nH]c5c4CCC5)C[C@H]3C2)nc1 1888867095 NVMGJNBKCONCNH-STQMWFEESA-N 377.414 2.880 0 40 GFAB CCOc1ccc(N(C(=O)COc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 4165362 YYQYWWVFQAZHKJ-QGZVFWFLSA-N 387.457 2.808 0 40 GFAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc4c(c3)OCO4)co2)n1 4377227 GCFLRVITADDRJP-UHFFFAOYSA-N 398.396 2.978 0 40 GFAB O=C(COc1ccc(Cl)cc1)Nc1cccc(N2CCCS2(=O)=O)c1 5075855 NUFSOHUBENTZCY-UHFFFAOYSA-N 380.853 2.897 0 40 GFAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3)n2)c1 5409483 KLTXJSAHXBPHSD-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2ccccc2)n1C 12422682 GNSSDPWNIVDDKZ-UHFFFAOYSA-N 386.481 2.828 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(F)cc1 22506264 AIFZVRWCDPVCFE-UHFFFAOYSA-N 393.440 2.696 0 40 GFAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)Nc1nccs1 49448463 NRLJUKXNZRFAKX-UHFFFAOYSA-N 386.462 2.918 0 40 GFAB COc1ccc([C@H](O)CNC(=O)c2cc(Br)cs2)cc1OC 207963627 GFQYUGJGERKUMW-LLVKDONJSA-N 386.267 2.991 0 40 GFAB O=C(NCc1ccc(CN2CCCCC2)cc1)C1CCN(c2cnccn2)CC1 31574995 PPINDITUPDEHAO-UHFFFAOYSA-N 393.535 2.995 0 40 GFAB COC(=O)c1cn([C@H]2CCCC[C@@H]2OC(=O)c2cc3c(s2)CCC3)nn1 83897553 PCSXVJRCSLJVEJ-KBPBESRZSA-N 375.450 2.956 0 40 GFAB COc1ccccc1NC(=O)CS[C@@H](CC(=O)Nc1ccccc1)C(=O)O 2228409 SQSLQVYDZUAINL-INIZCTEOSA-N 388.445 2.849 0 40 GFAB COc1ccc(-n2c(SCc3nc(N)nc(N)n3)nc3ccccc32)cc1 6929547 HWPUXXVITMIXGA-UHFFFAOYSA-N 379.449 2.676 0 40 GFAB O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccccc2)C1 29841310 IMFHZGMSZLHFLM-FQEVSTJZSA-N 377.488 2.604 0 40 GFAB O=C(COc1cccc(C(F)(F)F)c1)Nn1c(S)nc2ccccc2c1=O 102229012 CNDCQNFZQXZZJP-UHFFFAOYSA-N 395.362 2.853 0 40 GFAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(C)cc1 52781337 ZVCMXWLPQICVEO-QGZVFWFLSA-N 375.446 2.513 0 40 GFAB CCOC(=O)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 32903763 GKIXRYIQSJJTEK-UHFFFAOYSA-N 388.464 2.570 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1N 687581 XLABLFULMPACKS-UHFFFAOYSA-N 383.477 2.864 0 40 GFAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NC(=O)NC1CCCCC1 22357744 LULJIGBSFMRWDJ-UHFFFAOYSA-N 398.960 2.678 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CN2CCOCC2)cc1 22516305 AEMITHKWPFZNCP-UHFFFAOYSA-N 376.460 2.635 0 40 GFAB COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1S(=O)(=O)N(C)C 102889088 LXMIBVUSEYOTNU-NQYLQCIDSA-N 394.537 2.890 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(CCOc2ccccc2F)CC1 23757173 WBLYCZARQPMEOY-LICLKQGHSA-N 390.480 2.823 0 40 GFAB CC(C)[C@@H](NC(=O)c1cccnc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769431 RERIHHOPTGLSQS-HXUWFJFHSA-N 395.463 2.851 0 40 GFAB Cc1cc(OS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl 24243772 SNTHQUWGWBMICO-UHFFFAOYSA-N 389.882 2.666 0 40 GFAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O)Nc1ccccc1 1248023 PEJLNMNATIRSGM-PTNGSMBKSA-N 381.413 2.843 0 40 GFAB COc1ccc(OC)c(CNC(=O)Cn2c(S)nnc2-c2cccc(C)c2)c1 24841617 CDRSSXHOEACXFJ-UHFFFAOYSA-N 398.488 2.876 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O 55695038 IUEZNDOXQMWVBI-HNNXBMFYSA-N 376.478 2.588 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@H]1COc2ccccc2O1 24942283 FZKWKXFHYYXKPC-YJBOKZPZSA-N 393.447 2.810 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)CCN1C(=O)c2ccccc2C1=O 3284673 FAVNALWDDYIHKQ-UHFFFAOYSA-N 381.384 2.627 0 40 GFAB CCOc1ccc(OCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 27106913 KECNBZBBIBPFMF-UHFFFAOYSA-N 397.880 2.708 0 40 GFAB O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCN(Cc2ccccc2)CC1 57984553 XOHYJBHKPFJFFZ-UHFFFAOYSA-N 394.475 2.989 0 40 GFAB COCCN(C)C(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc(C(C)C)c2)C1 58370784 QWSHBFLJAPPFAT-HKUYNNGSSA-N 390.524 2.921 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[nH]2)cc1 12794137 JTMNSTCMSCAFIQ-UHFFFAOYSA-N 380.433 2.681 0 40 GFAB CCOc1ccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)C(C)C)cc1OCC 48333582 JSMOCJCZHXCKRH-LJQANCHMSA-N 375.469 2.906 0 40 GFAB O=C(CCc1ccsc1)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 48366333 OUDDXPQOTVCUSD-UHFFFAOYSA-N 389.496 2.675 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C1 49592642 OSUBLGPYTBCSRC-LBPRGKRZSA-N 383.370 2.857 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Br)o1 6113127 SAHSPUMVFYRZKZ-UHFFFAOYSA-N 387.255 2.853 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCc2ccccc21 5212609 JRMMUOJSURTYQX-UHFFFAOYSA-N 386.835 2.592 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1 8751021 WQUIVEJSKCRACC-UHFFFAOYSA-N 395.506 2.746 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(F)c1 8768740 LFWPACMWGGTUBZ-KRWDZBQOSA-N 380.383 2.748 0 40 GFAB COC(=O)C[C@@H](NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1 14015847 RJZXHZCYSJKFTD-MRXNPFEDSA-N 387.432 2.812 0 40 GFAB O=C(Cn1nnc(-c2ccccc2)n1)N1c2ccccc2NC(=O)C12CCCC2 14076450 DIDWQEBPEOHHTD-UHFFFAOYSA-N 388.431 2.638 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)/C=C/c3ccc(Cl)cc3)no2)cn1 96001769 XMWVLTVDDAVMQQ-RRGWEWPQSA-N 399.838 2.737 0 40 GFAB COc1cc(CC(=O)N(C)C[C@H]2COc3ccccc3O2)cc(OC)c1OC 6872044 UJPISQKENHWKFU-HNNXBMFYSA-N 387.432 2.553 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1 6943412 FLUTUTKTVDQSIZ-SMDDNHRTSA-N 384.379 2.849 0 40 GFAB O=C(CNS(=O)(=O)Cc1ccccc1)Nc1ccccc1Br 8920312 KNZROYRGEWJYFP-UHFFFAOYSA-N 383.267 2.507 0 40 GFAB NC(=O)c1c(NC(=O)CSc2nnc(C3CC3)o2)sc2c1CCCC2 7288688 QRNDISVZGCMVJX-UHFFFAOYSA-N 378.479 2.717 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(C)c2)nc1C 9300645 UOUHBOXPCVAXDO-UHFFFAOYSA-N 375.450 2.695 0 40 GFAB CC(C)Cn1nccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 8074442 UWQHWPBRIKBXGX-UHFFFAOYSA-N 384.889 2.695 0 40 GFAB CCc1c(C)sc2nc(SCC(=O)N(C)C)n(C[C@@H]3CCCO3)c(=O)c12 9181649 JRSAFMJVCLRNJM-LBPRGKRZSA-N 395.550 2.688 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 71833038 XWOWUZMWSJVHGX-UHFFFAOYSA-N 382.235 2.899 0 40 GFAB FC(F)(F)c1nnc2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)nn12 118492914 UDXAEEPXFHIWPW-GASCZTMLSA-N 388.397 2.711 0 40 GFAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)NCC(=O)NC(C)(C)C 95450974 JUHSHEZYAJXHCP-ZDUSSCGKSA-N 378.517 2.980 0 40 GFAB COc1ncccc1NC(=O)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 78718260 UTAKJTJDKUJTFR-INIZCTEOSA-N 379.420 2.577 0 40 GFAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1(N2CCOCC2)CCCC1 78879156 YFPGBMMMMBJRQS-INIZCTEOSA-N 385.508 2.798 0 40 GFAB C[C@@H](CCNCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 78998848 GMQVFTJGQAMUBN-SFHVURJKSA-N 388.533 2.991 0 40 GFAB CC(=O)Nc1nc(C(=O)NCC[C@@](O)(c2ccccc2)C(F)(F)F)cs1 89265650 PXDPPAGPQACIKB-OAHLLOKOSA-N 387.383 2.672 0 40 GFAB C[C@H](CNc1ccccc1)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 79110581 JYVHYXYGGHICRP-MRXNPFEDSA-N 382.464 2.781 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(Cl)c1 408552732 NIQCQXGECBZIHL-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)C12CCCC2 31820405 IHXNRCLOBUPZMT-FQEVSTJZSA-N 393.487 2.897 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 73257867 CGPNWVMBMDTTMA-NHCUHLMSSA-N 398.503 2.839 0 40 GFAB CN1CCN(C(=O)c2ccccn2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351733 ZQUGBTMJSNUTIE-OAQYLSRUSA-N 386.455 2.669 0 40 GFAB CCN1C[C@@H](c2ccn3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 72352924 ZQNDEPYCGMQVDG-LBPRGKRZSA-N 383.839 2.971 0 40 GFAB CCOCc1nn2c(=O)cc(COC(=O)c3ccccc3Cl)nc2s1 41077268 XKOBNUOIAVQVNP-UHFFFAOYSA-N 379.825 2.698 0 40 GFAB CC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CCCC2 223124476 ZALJOYGSZVULAI-IBGZPJMESA-N 378.538 2.804 0 40 GFAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2cccs2)c1 225141517 VFRLLVZTQPWJPC-UHFFFAOYSA-N 397.474 2.602 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 224109963 CGFAJLVBCKWYRX-UHFFFAOYSA-N 382.869 2.910 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)NCc2ccsc2-n2cccc2)cc1 40155873 YENXXKPKAJXFRW-UHFFFAOYSA-N 376.463 2.508 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC(C)C)cc1 225787676 CGPDOJTULQKBDS-UHFFFAOYSA-N 392.477 2.742 0 40 GFAB CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@H](CNc3nccs3)CO2)C1 96075728 HZHSMZGKXVYJSA-DNVCBOLYSA-N 389.525 2.791 0 40 GFAB CC(C)Cn1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 96230743 ZLLOCTZQKBAAOA-UHFFFAOYSA-N 395.511 2.697 0 40 GFAB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(Cl)cc1 96519978 KOVYNRMMISVPGL-IUCAKERBSA-N 395.045 2.746 0 40 GFAB OC[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2ccc(O)cc2)C1 248012441 WFWWFFOEEJSPPL-CBGDNZLLSA-N 380.492 2.653 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2cnccn2)C1 257255396 KHHLCJRPVUWREB-MRXNPFEDSA-N 393.495 2.984 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)N(C)C 257291911 QJEZIRDDDMQOBW-KRWDZBQOSA-N 398.482 2.883 0 40 GFAB CC(C)NC(=O)OC1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 585085575 YNMWXCDCKDBSFS-UHFFFAOYSA-N 380.872 2.734 0 40 GFAB CCNc1cnc(-c2noc([C@H]3CC(=O)N(c4ccccc4OCC)C3)n2)cn1 585084903 SGNWNNXMBCJLPE-ZDUSSCGKSA-N 394.435 2.878 0 40 GFAB Cc1nc2ccc(C(=O)N3CCC[C@@H](CC(=O)NCC4CCOCC4)C3)cc2[nH]1 257286463 PLRDSJQFHZINFN-KRWDZBQOSA-N 398.507 2.656 0 40 GFAB Cc1nnc2n1C[C@@H](C(=O)NCC1(c3cccc(Cl)c3)CCOCC1)CC2 676803733 MOENLUOSDXYEFY-HNNXBMFYSA-N 388.899 2.667 0 40 GFAB CCOc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CC2)nn1 620825178 ZGCBALFHBPRJJX-UHFFFAOYSA-N 392.463 2.536 0 40 GFAB CCc1cc(Br)cc2c1N(C(=O)COC1CN(C(C)=O)C1)CCC2 644501231 KNLKUFSGRTWXCE-UHFFFAOYSA-N 395.297 2.538 0 40 GFAB COc1ccc2c(c1)CCN(Cc1nc(O)c3cc(OC)c(OC)cc3n1)C2 661740129 JCARUKAKPOMXTJ-UHFFFAOYSA-N 381.432 2.920 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 96025595 XVSVBXNKDFKTCC-LJQANCHMSA-N 391.420 2.633 0 40 GFAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)N(C)S(=O)(=O)N4C)[nH]c2c1 390826044 AKRSAXNNKRSNSA-UHFFFAOYSA-N 386.433 2.560 0 40 GFAB CCN(CC)CCCN(C(=S)Nc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 575419953 BMVFTAQAZQXLHP-SFHVURJKSA-N 397.610 2.913 0 40 GFAB O=C(NCC(F)(F)c1cccc(F)c1)N[C@H]1CCCN(c2ncccn2)C1 660425881 CMAYEDGIFQLQIZ-HNNXBMFYSA-N 379.386 2.676 0 40 GFAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)n1 585290937 HPDFQKHTVWBLDG-IJDCCNJMSA-N 389.463 3.414 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)CN1C(=O)NC2(CCCCCC2)C1=O 56696150 YVTXJGVMYOTUPY-UHFFFAOYSA-N 392.887 2.813 0 40 GFAB COc1ccc2c3c1O[C@@H]1C4(CC[C@H]5[C@H](C2)N(CC2CC2)CC[C@@]315)OCCO4 5158831 ZKNHXBONWOGIMA-KLDKWKSESA-N 383.488 2.888 0 40 GFAB COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(OC)cc1)N2 5200800 GJKPKDDWCHXMBJ-HIFRSBDPSA-N 398.385 2.928 0 40 GFAB Cc1c(CC(=O)Nc2ccccc2C(N)=O)c(=O)oc2cc(O)c(Cl)cc12 13573599 YBODQPKQZMNHEK-UHFFFAOYSA-N 386.791 2.741 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2SC)cc1S(=O)(=O)N(C)C 16163227 GIDDGGOJPKUECQ-UHFFFAOYSA-N 380.491 2.920 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 16737425 QQJRRGDSGHFTGG-UHFFFAOYSA-N 388.489 2.683 0 40 GFAB Cc1nccn1CCC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 19288060 AVLWEOOUUBKIGO-AVRDEDQJSA-N 396.491 2.603 0 40 GFAB COc1cccc(-c2nccnc2[C@@H]2CN(C(=O)c3ccccn3)CCO2)c1 19693098 CEHNYCCHSINJDG-SFHVURJKSA-N 376.416 2.761 0 40 GFAB CC(C)N1CCC(C(=O)N2CCO[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)CC1 19693836 XXPYHQXTRXRSJK-OAQYLSRUSA-N 397.523 2.502 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)nn1C 19709043 KKTYGVXDZLNOSU-QGZVFWFLSA-N 394.523 2.628 0 40 GFAB CNc1cc(CN(C)C(=O)CCc2ccc(OC)cc2)nc([C@@H]2CCCNC2)n1 19709589 YPJRBHLHDLOORA-QGZVFWFLSA-N 397.523 2.585 0 40 GFAB CN(C(=O)c1nccc2ccccc12)[C@H]1CCCN(C(=O)c2cc[nH]n2)CC1 19749664 QRRFVMPVXNOZCA-INIZCTEOSA-N 377.448 2.725 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)c1 12225530 FDPYJJIQVXXQNF-UHFFFAOYSA-N 380.444 2.801 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5c(F)cccc5F)C[C@H]4C3)n1)CCC2 1888885523 YEVRCQQOJYRENL-ZIAGYGMSSA-N 384.430 2.760 0 40 GFAB Cc1nc(C(C)(C)C)nc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)c1C 1888899283 IFHBKFXKVTUEHM-UHFFFAOYSA-N 394.527 2.772 0 40 GFAB COc1cc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc(OC)c1 26803723 HGLBDIMGWXXUCF-UHFFFAOYSA-N 383.448 2.990 0 40 GFAB CC1CCN(CC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)CC1 2037912538 OFTAKYPGSRFHAO-NRFANRHFSA-N 378.488 2.680 0 40 GFAB Cc1cccc(CN2CCC3(CC[C@H](CNC(=O)Cc4cn[nH]c4)OC3)CC2)c1 2056225467 MNMFMJBNBHZLQD-OAQYLSRUSA-N 396.535 2.838 0 40 GFAB O=C(NCc1cccnc1N1CCCC1)c1ccc(OC[C@@H]2CCCO2)nc1 253473254 TVWDOZBDODSRMD-SFHVURJKSA-N 382.464 2.565 0 40 GFAB CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3cccc4ccccc34)cnc21 10250919 WUFSTRFIICMRJR-UHFFFAOYSA-N 375.432 2.814 0 40 GFAB CC(C)c1ccc(OCC(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cc1 225782299 UPXCIXINLCMGMW-UHFFFAOYSA-N 395.434 2.921 0 40 GFAB CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCc2ccco2)cc1 862659 RJXSHUCRVPTFOI-LDADJPATSA-N 394.383 2.885 0 40 GFAB COc1cc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)c(OC)cc1Cl 40103654 HMLMSGPREJWYAG-UHFFFAOYSA-N 381.860 2.880 0 40 GFAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1cccc(NS(C)(=O)=O)c1 40107004 OZCNBOGJXMTZJB-LBPRGKRZSA-N 380.491 2.960 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 40159667 CGNQCGZKDXFBCD-CQSZACIVSA-N 376.840 2.819 0 40 GFAB CCCCc1c(O)nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O 20130774 BQVUZGQZIQMNGM-UHFFFAOYSA-N 389.521 2.705 0 40 GFAB CCc1nnc(N[C@]2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)s1 40286083 VDYJBSXOVHAUGI-HNNXBMFYSA-N 399.398 2.566 0 40 GFAB O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCO[C@H](c2ccccc2)C1 30769535 CKJJXFYNYZGFOR-KRWDZBQOSA-N 386.883 2.947 0 40 GFAB Cc1ccc(NC(=O)CCCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100790348 HCXIBHNRUMXIET-ROUUACIJSA-N 393.487 2.911 0 40 GFAB biogenic CCN1CCN(c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2C)CC1 11323690 DHLUSGSFVYQIRP-UHFFFAOYSA-N 394.519 2.896 0 40 GFAB O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 36714109 MFSJRJMJNRZDIA-UHFFFAOYSA-N 392.341 2.512 0 40 GFAB Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1F 11451844 VKHUYYXPGKJHLK-UHFFFAOYSA-N 382.482 2.779 0 40 GFAB COc1ccccc1[C@H]1NC(=S)N2[C@H](c3ccccc3OC)NC(=S)N12 17122476 GHBKWSHWQIPQLU-IYBDPMFKSA-N 386.502 2.696 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1577796 VSXLHXWSMDZSOB-HOCLYGCPSA-N 376.453 2.634 0 40 GFAB CCOC(=O)CNC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c12 4218037 GMGXSAJCPKXHGE-UHFFFAOYSA-N 379.507 2.957 0 40 GFAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 4861057 SCNUUMSCIJTCMI-CHWSQXEVSA-N 388.917 2.664 0 40 GFAB CNC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 51798191 MAUGIWIWHMRBGI-ZIAGYGMSSA-N 386.370 2.897 0 40 GFAB CNC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 51798187 MAUGIWIWHMRBGI-KGLIPLIRSA-N 386.370 2.897 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)Nc2ccccc2F)c(=O)[nH]c1=O 8429363 DFVPHPJGEYRAIF-UHFFFAOYSA-N 391.447 2.753 0 40 GFAB CN(CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2)C(=O)c1cccs1 46353402 AJSZPQSBNFLMMQ-CQSZACIVSA-N 387.509 2.502 0 40 GFAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(O)cc3)CC2)cc1 21275406 GDZXBCNZDYPECS-FQEVSTJZSA-N 384.476 2.547 0 40 GFAB CCOC(=O)c1c(C)oc2nc(CN3CCC[C@@H](C(F)(F)F)C3)[nH]c(=O)c12 32751362 OPHQUPAXCHVNLO-SNVBAGLBSA-N 387.358 2.776 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(C(=O)NC2CC2)cc1 32869277 WDPHHRAVHHWUPN-UHFFFAOYSA-N 377.444 2.887 0 40 GFAB O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1csnn1 11914755 PUWKTEJOHQLSEU-SNVBAGLBSA-N 392.506 2.640 0 40 GFAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 29835252 IHEATMNIRXRIAJ-YSKGHYERSA-N 376.400 2.872 0 40 GFAB CC(C)NC(=O)CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 46502526 CIYOIUQJHYVTDS-UHFFFAOYSA-N 378.826 2.791 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 692074 FAAUHWHYSUZXRW-QGZVFWFLSA-N 381.451 2.836 0 40 GFAB CCc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)c2c(n1)c(C)nn2C 28557555 GODWHPDKAHSBHT-UHFFFAOYSA-N 398.898 2.850 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745134 LKEKXTYGPSZWSM-HNNXBMFYSA-N 376.416 2.508 0 40 GFAB Cn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccccc1 633991 FTWZJTGDELZLRD-UHFFFAOYSA-N 387.490 2.537 0 40 GFAB CNC(=O)C1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 12334672 NLGQMDJCCPEGLO-UHFFFAOYSA-N 389.515 2.945 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccn2)N1CCc1ccccc1 12325032 PDFCVQPUUAYNQR-IRLDBZIGSA-N 394.496 2.973 0 40 GFAB COc1ccc(F)cc1CN1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 22802245 YXIFXCPJHLRRCJ-HNNXBMFYSA-N 396.466 2.950 0 40 GFAB O=C(CCN1C(=O)CCC1=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 53988174 RYLSPGATGQURRH-UHFFFAOYSA-N 389.839 2.726 0 40 GFAB COc1cccc(OC)c1CN1[C@H]2CC[C@@H]1Cc1c(nc3cc(C)nn3c1O)C2 100219520 HVHYGIMIEKWTLI-CABCVRRESA-N 394.475 2.892 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1cccc(N3CCCC3=O)c1)C(=O)C2 101324444 TXKQUXNFSBRRSU-VLIAUNLRSA-N 390.505 2.951 0 40 GFAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)c1 22995986 TUTKNGDREGNWPH-GFCCVEGCSA-N 393.399 2.671 0 40 GFAB COc1cc(CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc(OC)c1OC 23805579 FGHZBAQJLLSHIH-UHFFFAOYSA-N 391.493 2.728 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1 22381594 UISMVHONAVQJGZ-UHFFFAOYSA-N 383.876 2.981 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C2)n1 54703752 QXZKLLNTGKKPSY-MRXNPFEDSA-N 384.480 2.812 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2cccc3c[nH]nc23)cc1 24425421 IQLMHZLMYGGYSX-UHFFFAOYSA-N 398.366 2.656 0 40 GFAB Cc1nc(COc2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)cs1 24601156 OJWDUNMWNIYBJM-UHFFFAOYSA-N 389.521 2.871 0 40 GFAB CC(=O)Nc1nc(COC(=O)COc2ccc3c(C)cc(=O)oc3c2)cs1 24906923 FTMIPSLSKWPOIB-UHFFFAOYSA-N 388.401 2.639 0 40 GFAB CCOC(=O)[C@@H]1CSCCN1Cn1nc(C)n(-c2ccccc2C)c1=S 24972754 QHZZTSXDJNYDCO-INIZCTEOSA-N 392.550 2.958 0 40 GFAB COC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 12564149 KVGLUYRSBLIZJW-UHFFFAOYSA-N 385.811 2.758 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1nc2ccccc2[nH]1 57681798 JUSOGPCYGYFCDU-GOSISDBHSA-N 375.436 2.730 0 40 GFAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)no1 25136017 UKQYIHZSOJXHDH-UHFFFAOYSA-N 379.372 2.644 0 40 GFAB CC(C)c1noc2ncc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)cc12 25171695 VHRPNMKVXPAPIR-UHFFFAOYSA-N 385.468 2.710 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57412386 CAXSCOPFSQETSK-UHFFFAOYSA-N 376.825 2.630 0 40 GFAB Cc1noc(C)c1CCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 58167764 RIJWDJXTWJIPJW-AWEZNQCLSA-N 388.487 2.992 0 40 GFAB CCN(CC)c1ccc(NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1 58154153 DWZQHBFIPRBOBK-UHFFFAOYSA-N 388.516 2.683 0 40 GFAB O=S(=O)(CCCSc1nnnn1-c1cccc(F)c1)c1ccccc1 58163687 RYKWFXAESNOMJN-UHFFFAOYSA-N 378.454 2.758 0 40 GFAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3)C3=C2C(=O)OC3)c1 67288781 DJGUFJAUMXNTRA-FQEVSTJZSA-N 391.427 2.819 0 40 GFAB O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3330640 FARRDVAHBHVYNG-UHFFFAOYSA-N 396.468 2.957 0 40 GFAB CC1=NN(c2ccc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2)CC1 48252334 BFLFMUHWDUBHAW-UHFFFAOYSA-N 380.448 2.900 0 40 GFAB CCC(=O)N[C@H](CCSC)C(=O)N1CCN(c2cccc(Cl)c2)CC1 48365917 CCQWEJDTTDBGMB-MRXNPFEDSA-N 383.945 2.637 0 40 GFAB C[C@@H](NC(=O)CSc1cc(F)ccc1F)c1ccc(S(N)(=O)=O)cc1 12857003 BQNRLOPJPYMBPV-SNVBAGLBSA-N 386.445 2.582 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 17904704 COWPKXGKPUOSHG-INIZCTEOSA-N 397.450 2.838 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 13098130 VLXSQSINDQBIOU-MGPUTAFESA-N 390.915 2.920 0 40 GFAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1O 13464517 ZCKPBAIANMKQJN-UHFFFAOYSA-N 377.296 2.790 0 40 GFAB Cn1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(F)cc2)C3=O)cn1 49547077 OXOCFQSJGYZNID-UHFFFAOYSA-N 378.363 2.608 0 40 GFAB CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)cc1 64302903 XAKHHUGZXMOEMF-CQSZACIVSA-N 384.398 2.836 0 40 GFAB CCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C 14014690 NGUVUTCBEYEABG-INIZCTEOSA-N 377.466 2.646 0 40 GFAB CCCCNC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1 14235824 YZNAEUMPSFIPEY-UHFFFAOYSA-N 387.553 2.527 0 40 GFAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 5550532 FVHCNQFNUQDPHW-HWKANZROSA-N 386.882 2.541 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1cccnc1 6660275 UGSFFFRKWPHXMQ-IBGZPJMESA-N 393.443 2.694 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)o1 6653680 WKFNIVDASJHDOF-GFCCVEGCSA-N 395.444 2.988 0 40 GFAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5611009 PLFYXSMYMKMYBX-INIZCTEOSA-N 378.428 2.938 0 40 GFAB CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1Br 408604537 KBKWEAKNWLXDCV-ZDUSSCGKSA-N 385.283 2.814 0 40 GFAB C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)NC[C@@H]1CCCO1 8920359 XDRZZEMJKUQMAS-WMZOPIPTSA-N 382.460 2.679 0 40 GFAB NC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1 15542308 NKEUNKYEXPRKEJ-HXUWFJFHSA-N 387.439 2.765 0 40 GFAB COc1cc(/C=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1O 16026582 HWNQLJZAUDPNGG-UGAXZCSASA-N 380.400 2.707 0 40 GFAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccco1 7841946 UGKGPLZMLJCSNY-MDZDMXLPSA-N 383.448 2.617 0 40 GFAB O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 9305373 DVXFFSMIULAEAB-HXUWFJFHSA-N 397.818 2.989 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)C1=O 8036255 YPYGVTORWITUGS-UHFFFAOYSA-N 398.488 2.958 0 40 GFAB COC(=O)c1sc2nc(CN(C)Cc3ccccc3OC)[nH]c(=O)c2c1C 16563722 YCRUDYRPLPWWEM-UHFFFAOYSA-N 387.461 2.720 0 40 GFAB Cc1cc(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 16774886 CNLOFRWUPLBYEC-KGLIPLIRSA-N 378.519 2.669 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)OCc2nc(-c3ccsc3)no2)c1 16722923 ATHGHTLCQGPLNA-UHFFFAOYSA-N 379.419 2.527 0 40 GFAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(c2ccccn2)CC1 9502620 MOQKAQQIQWSCMU-UHFFFAOYSA-N 398.470 2.837 0 40 GFAB CCN(CC)CCn1/c(=N/C(=O)c2nn(CC)cc2Cl)[nH]c2ccccc21 28226745 KUSRRLWQVIUXOE-UHFFFAOYSA-N 388.903 2.922 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc2cccnc12 97014040 QQSRZNKWRJTDKK-INIZCTEOSA-N 385.493 2.904 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCc2[nH]c3ccccc3c2C1 72401221 AUUXSOMZVKMXIJ-UHFFFAOYSA-N 376.460 2.578 0 40 GFAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 78806025 QYLDFVDLTXDXJV-HNNXBMFYSA-N 392.883 2.657 0 40 GFAB O=C(Nc1cnc(-c2ccccc2)nc1)C(=O)N[C@@H](CCCO)c1ccccc1 95461421 UWNGWMSQSQGMGU-IBGZPJMESA-N 390.443 2.712 0 40 GFAB O=C([C@@H]1Cc2ccccc2S1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 79106960 VMUXUBAHURMICW-ZVDOUQERSA-N 380.513 2.815 0 40 GFAB CC(C)OC(=O)c1ccc(COc2coc(CN3CCSCC3)cc2=O)o1 79487829 AAPNQRJEUMFZAN-UHFFFAOYSA-N 393.461 2.926 0 40 GFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 85412888 DYJFRKQXEFQWRB-APWZRJJASA-N 382.368 2.876 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 95998741 WFBSHPQEYGUZFD-GOSISDBHSA-N 396.491 2.893 0 40 GFAB Cc1csc(COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 95962605 JSTWPVBSTRPSEA-UHFFFAOYSA-N 394.518 2.912 0 40 GFAB NC(=O)c1cc(-c2csc(NC(=O)c3ccc(-n4cccn4)cc3)n2)c[nH]1 66961325 HBRJRNXMQMIYEY-UHFFFAOYSA-N 378.417 2.675 0 40 GFAB COCCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 21535882 REEVHXCDQQYRGR-UHFFFAOYSA-N 394.518 2.860 0 40 GFAB CCOCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 409113657 FGHOFBRFEHYRAF-UHFFFAOYSA-N 390.505 2.733 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@@]3(CCCNC3=O)C2)cc1 306139051 SOCYVAOZMMXFBH-KRWDZBQOSA-N 386.464 2.736 0 40 GFAB CC[C@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccccn1 35291590 VJDYLVMHZQHUMK-SWLSCSKDSA-N 375.498 2.830 0 40 GFAB COCCn1c(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)cc2ccccc21 524730520 LQYVRFGECAXVHZ-IMFGXOCKSA-N 395.503 2.761 0 40 GFAB biogenic CN1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)sc2C1 32759591 IDYWKDNQEFAIHO-LBPRGKRZSA-N 390.534 2.683 0 40 GFAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1cccn(Cc2ccccc2)c1=O 532259704 ICHGVQLOCHSJSW-HXUWFJFHSA-N 388.423 2.721 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cc3ccccc3c(O)n2)cc1OC 532251829 KWIUZUSIPKYCAI-HNNXBMFYSA-N 396.399 2.903 0 40 GFAB CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1 408563581 OKBTYAQSWCNUSO-WMZOPIPTSA-N 389.249 2.936 0 40 GFAB CCCn1c(N2CCN(CC(=O)NCc3cccs3)CC2)nc2ccccc21 36351044 XVOYEJOEWNJFFY-UHFFFAOYSA-N 397.548 2.946 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1F 225703458 LTMYCMWPMOBVBV-UHFFFAOYSA-N 384.860 2.557 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(C)c2)NS(C)(=O)=O)cc1 225955336 QNQRNZDMUGONDV-GOSISDBHSA-N 376.478 2.931 0 40 GFAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCc3ccccn3)ccc21 223263860 ZBTXEABJIMNFQP-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1N1C(=O)CCC1=O 225810883 KAXHFMSYDOHXQB-UHFFFAOYSA-N 388.445 2.766 0 40 GFAB CCCNC(=O)[C@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 199411467 KGBCABGRYBJMJX-HNNXBMFYSA-N 377.238 2.561 0 40 GFAB COc1cccc(C(=O)N2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)c1 96244092 VULGVSVXDHQBNU-JOCHJYFZSA-N 394.475 2.621 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccccc1-n1cc(CNC(C)=O)cn1 257292842 QNEBVTWLMDTMJM-UHFFFAOYSA-N 392.459 2.789 0 40 GFAB C[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 607589056 QSIGYYWRXSMJCI-YJBOKZPZSA-N 392.455 2.784 0 40 GFAB CCN1CCO[C@@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)[C@@H]1c1ccccc1 617673313 BESYZJDJTAYRIY-HKBOAZHASA-N 384.451 2.707 0 40 GFAB Cc1noc([C@H]2CN(C(=O)NCCc3cccc(C(F)(F)F)n3)C[C@@H](C)O2)n1 624112252 RCXAMQWXYTWKAW-ZWNOBZJWSA-N 399.373 2.506 0 40 GFAB O=C(NC[C@@H]1CCCC12CC2)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 626421335 SXWASKSKLCXLQV-LSDHHAIUSA-N 392.525 2.822 0 40 GFAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1c(C)cc(Cl)c2ccccc12 666726956 QENHISFVNOZMFF-HUUCEWRRSA-N 382.869 2.735 0 40 GFAB CC(C)CS(=O)(=O)C1CN(C(=O)CCc2ccccc2Br)C1 96122002 JLHMGZJTPYXYDN-UHFFFAOYSA-N 388.327 2.663 0 40 GFAB Cc1cccc(S(=O)(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)c1 585103611 BZNTXIMJGZCQFJ-INIZCTEOSA-N 376.503 2.718 0 40 GFAB C[C@H](NC1(CN=c2cc(Br)cn[nH]2)CCOCC1)c1ccccc1 585098402 RUMZWDOWNLKBOX-AWEZNQCLSA-N 391.313 2.973 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](O)C2)C3)cc1F 585103023 BHGBGFTZRMXRGX-RBUKOAKNSA-N 390.499 2.602 0 40 GFAB O=S(=O)([C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nnc3n2CCCC3)CC1 1616028936 MDHXJWVXWWZKRW-QZTJIDSGSA-N 386.521 2.680 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCNC(=O)OCc1ccccc1 5957671 MWRHQEMRZSFNJF-LJQANCHMSA-N 398.459 2.594 0 40 GFAB Cc1nn(CC(=O)NC[C@H](C)c2ccccc2)c(=O)c2cc3sccc3n12 12115274 WOPVAKPAUWBWQR-ZDUSSCGKSA-N 380.473 2.939 0 40 GFAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)NCc3ccco3)C2)on1 12118372 GBEKKFHDWIDDOF-HNNXBMFYSA-N 381.436 2.529 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1cccc(Cl)c1 12146293 XLQDYZIIQOAORU-GOSISDBHSA-N 397.862 2.608 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2)cc1 12548426 SORLGONDYDFMJS-UHFFFAOYSA-N 388.489 2.829 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)ccc1C 13069474 MWJZPPCIGOCVKM-HOTGVXAUSA-N 395.569 2.942 0 40 GFAB Cc1ccnc(-n2cccc2CN(CCN2CCOCC2)Cc2cccnc2)c1 19238214 KGYMGZCMFZAJLR-UHFFFAOYSA-N 391.519 2.910 0 40 GFAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)CC1 6308172 RLPQBTKDBNZIEQ-XNTDXEJSSA-N 389.433 2.890 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3c(O)cc(C)cc3oc2=O)cc1OC 8491019 FOKNXBHVHKOZJM-UHFFFAOYSA-N 397.427 2.992 0 40 GFAB biogenic COc1ccccc1C(=O)N1CCN(Cc2ccnc(-c3ccncc3)n2)CC1 19568797 VVMXDENRIHOIDM-UHFFFAOYSA-N 389.459 2.505 0 40 GFAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)n1 257222393 DTCQEIILMIXCIZ-MRXNPFEDSA-N 386.843 2.962 0 40 GFAB Cn1nnc2c1C[C@@H](C(=O)NCCc1c[nH]c3cc(F)c(Cl)cc13)CC2 585124254 WAVBWMYZRYFLCJ-JTQLQIEISA-N 375.835 2.553 0 40 GFAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 24888009 XRQCFILVHDGXMG-UHFFFAOYSA-N 382.825 2.735 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 2474994 WDXVILPIZGFEIO-UHFFFAOYSA-N 390.442 2.739 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2ccccc2Cl)CN1c1ccc(F)cc1 9036449 MPZDHMGCNFYVTM-LBPRGKRZSA-N 382.844 2.811 0 40 GFAB COc1cc(C(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc(OC)c1OC 10324976 FLRFNDCOLRLIJE-UHFFFAOYSA-N 395.415 2.725 0 40 GFAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1c(F)cccc1F 12440710 VIBBSFWJKTYOAO-UHFFFAOYSA-N 385.388 2.582 0 40 GFAB Cc1nc2c(=O)n(CC(=O)NCCc3ccccc3)nc(-c3ccco3)c2s1 13010523 XLRAXENPGYOMIR-UHFFFAOYSA-N 394.456 2.780 0 40 GFAB O=C(c1cscn1)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055782065 GSQHQNVFFWHAHJ-UHFFFAOYSA-N 381.461 2.610 0 40 GFAB CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 28259489 MDOWZSKDXDJMDC-UHFFFAOYSA-N 388.367 2.675 0 40 GFAB Cc1cc(C)c(N(C[C@H](O)CNCc2ccccc2)S(C)(=O)=O)c(C)c1 31903785 JWXFTGLMQJYGHR-LJQANCHMSA-N 376.522 2.529 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2nccc3c(OC)cccc23)CC1 36708194 TZDFXBAWZSHTNV-UHFFFAOYSA-N 389.477 2.636 0 40 GFAB O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)[C@H]1COc2ccccc2O1 38486364 YNOGASQOGZUKQK-LJQANCHMSA-N 395.390 2.618 0 40 GFAB Nc1c(C(=O)[C@H]2CCN(C(=O)c3cccc(F)c3)C2)cnn1-c1ccccc1 19374459 CCGUHHPAOFZPAR-HNNXBMFYSA-N 378.407 2.939 0 40 GFAB Cc1cccc(OCC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 30000134 QKQZKGLLWRYZEV-JOCHJYFZSA-N 381.520 2.869 0 40 GFAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(Nc4ccccc4)cc3)cnc21 40057916 AGYZOOIGJCSIAS-UHFFFAOYSA-N 388.431 2.902 0 40 GFAB COc1ccc(C)cc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11162448 QVKGLVBSTULLRV-KRWDZBQOSA-N 388.489 2.636 0 40 GFAB Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2Br)c(=O)[nH]1 16467916 NWFYWKNZZKPQAV-JTQLQIEISA-N 378.270 2.959 0 40 GFAB COc1ccc(-n2c(C)c(C)c3c(NCCN4CCOCC4)ncnc32)cc1 20548173 ROXJLGXNOQWUKR-UHFFFAOYSA-N 381.480 2.790 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(Cl)cc2)cc1 3541448 VNLBZVRCKJXMRA-UHFFFAOYSA-N 375.856 2.535 0 40 GFAB Cc1cc(C(=O)COc2ccc(C=O)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 36849616 LSWBBTFICOPDHC-MRXNPFEDSA-N 375.446 2.539 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4553907 RMQCCKLLPIYWAU-MHGIMSBQSA-N 383.444 2.994 0 40 GFAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCc2ccccc21 4904425 VVFAXGVJRMKZAQ-OAHLLOKOSA-N 376.503 2.738 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)cc1OC 32235202 XZRVISJBYYRBHD-UHFFFAOYSA-N 396.447 2.645 0 40 GFAB Cc1cc(I)ccc1NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 46115880 XOUBLJQSSSHZTB-LBPRGKRZSA-N 398.244 2.797 0 40 GFAB CCOc1ccc([C@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297772 LETFWQGPBNLPAY-INIZCTEOSA-N 393.432 2.991 0 40 GFAB COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)N(C)C 102889083 LXMIBVUSEYOTNU-WIBUTAKZSA-N 394.537 2.890 0 40 GFAB CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 8298720 NYGLZCNUURQCNN-QRQLOZEOSA-N 399.514 2.742 0 40 GFAB biogenic,in-vitro O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 32910466 SGGGQRGIQYAUMP-HNNXBMFYSA-N 380.400 2.729 0 40 GFAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)CCOc3ccccc3F)n21 32932828 CWQBZYFPBPYVNH-UHFFFAOYSA-N 395.438 2.540 0 40 GFAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)n1 665176 PMULVXBVYDGBEB-UHFFFAOYSA-N 396.476 2.789 0 40 GFAB CCOc1c(Br)cc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC 981555 BTZXVAPAXPQKCM-XFFZJAGNSA-N 385.283 2.886 0 40 GFAB CN1C(=O)c2ccc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)cc2C1=O 24696482 ZBZUTTGPPMRYRM-UHFFFAOYSA-N 384.260 2.789 0 40 GFAB CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1ccccc1F)S(C)(=O)=O 113967351 HNWRGDAHDXUYGB-KRWDZBQOSA-N 378.469 2.995 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 24815230 OWNMQEGEZKDQRF-UHFFFAOYSA-N 397.519 2.691 0 40 GFAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 24926736 XVCKZZDOQBFXQG-UHFFFAOYSA-N 376.453 2.543 0 40 GFAB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 25044268 FEAXOIDWUDLHKZ-UHFFFAOYSA-N 399.490 2.688 0 40 GFAB CC[C@@H](C)NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 25056213 IUZOYAAMUQUESB-LLVKDONJSA-N 393.369 2.516 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 1446237 BGOIDVMJRUFJLK-UHFFFAOYSA-N 383.267 3.000 0 40 GFAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cc(F)ccc2C)c1 57279470 VMNPXTGIKVKXDI-UHFFFAOYSA-N 391.428 2.617 0 40 GFAB COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 108139087 SDOOUSACWMLWBM-FTLABTOESA-N 386.473 2.980 0 40 GFAB COC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C 8651142 VWEJFTOZMZCIRR-ZDUSSCGKSA-N 380.489 2.983 0 40 GFAB O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)COCc1ccccc1Cl 21559273 ZLNZBBGZHGDVBR-HNNXBMFYSA-N 380.872 2.862 0 40 GFAB CS[C@@H](C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58209569 HTCHDTIKINXIAM-WFASDCNBSA-N 376.444 2.946 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 27742219 JYXJNWVEBZRYKU-GOSISDBHSA-N 389.540 2.529 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2N)cc1 2389416 XRQNEZNLLQXUDC-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccc(Cn2cncn2)cc1 48290820 WKSMAOIKXYKCPV-IBGZPJMESA-N 389.459 2.534 0 40 GFAB O=C(CSc1nnnn1C1CC1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 70039854 XVBPPFISMYQPTM-YPMHNXCESA-N 383.399 2.791 0 40 GFAB COC(=O)[C@H](C)Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3447757 ARCVCFQGCKTINQ-LBPRGKRZSA-N 380.429 2.687 0 40 GFAB COC(=O)c1sc2nc(Cc3nc(-c4ccccc4)no3)[nH]c(=O)c2c1C 12941566 ODSDIKVHAVMFMC-UHFFFAOYSA-N 382.401 2.720 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cc1 12972885 ASFOHYLTSZLJOY-QGZVFWFLSA-N 384.307 2.662 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 13540321 ZDCZHQRLPVXRBS-UHFFFAOYSA-N 387.871 2.748 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3ccsc3)cc2O1 13625851 GAKSLOZHTDXTFH-UHFFFAOYSA-N 375.446 2.935 0 40 GFAB Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 13957500 HUNXCEAHMSNFAE-OAHLLOKOSA-N 380.400 2.728 0 40 GFAB O=C(NCc1nc(Cc2ccccc2)no1)NC[C@@H](c1ccco1)N1CCCC1 65553622 IDUFXONNLGAFSD-KRWDZBQOSA-N 395.463 2.890 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCc1nn2c(-c3ccco3)nnc2s1 5348668 YUISFVOVCSOFKV-UHFFFAOYSA-N 379.401 2.675 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)[nH]1 6459550 FBQYSBRGLFGSGH-UHFFFAOYSA-N 394.456 2.779 0 40 GFAB COc1ccc(CN(C)C[C@H](O)COc2ccccc2C)c(OC)c1OC 6790333 PHPUALBOJDFDPX-KRWDZBQOSA-N 375.465 2.893 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)c1 6810226 IDDKQDMMOOFHRE-MRXNPFEDSA-N 393.530 2.960 0 40 GFAB COc1ccc(N/C(C)=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OC)c1 9013364 KMFYNPGESYYGPZ-AQTBWJFISA-N 395.415 2.981 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858540 XYQMQWLHQPGNKG-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNC[C@@H]2CCCO2)cc1 7813563 AUYHRFDONVSLFR-SFHVURJKSA-N 381.476 2.632 0 40 GFAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(C)(=O)=O)c2)c(OC)c1 7987259 FMQFWSPJTFXMBK-GFCCVEGCSA-N 392.429 2.536 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(Cn2cnc3ccc(Cl)cc3c2=O)n1 9672574 UBDCZSZAXJXAJM-UHFFFAOYSA-N 393.838 2.917 0 40 GFAB CC[C@@](C)(CCCNS(=O)(=O)c1cc(OC)ccc1OC)C1OCCO1 95406752 DMPZMVPGXSHFMX-SFHVURJKSA-N 387.498 2.552 0 40 GFAB C[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccc(N2CCOCC2)cc1 79051198 VBPYAHQYJAXYDP-GOSISDBHSA-N 394.519 2.802 0 40 GFAB Cc1nc([C@@H]2CCCN(c3nn4c(C(F)(F)F)nnc4c(C)c3C)C2)n[nH]1 95983360 WTPNMODACWQIOZ-LLVKDONJSA-N 380.378 2.570 0 40 GFAB CC(C)(CNC(=O)C1(c2cccc(Br)c2)CCOCC1)C(=O)O 95970751 LPKWXAFYASSLMX-UHFFFAOYSA-N 384.270 2.724 0 40 GFAB O=C(c1ccc(Nc2ncccn2)cc1)N1CCN(CCc2ccncc2)CC1 79492145 RDSYRHCXFQHJGN-UHFFFAOYSA-N 388.475 2.616 0 40 GFAB CC(C)(C)NC(=O)CNC(=O)c1cccc(OCc2cn3ccccc3n2)c1 9918493 QDQLAWJSOJQUPS-UHFFFAOYSA-N 380.448 2.558 0 40 GFAB O=C(NCCCOC1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 61258770 ATZNFOGWYRXDDE-UHFFFAOYSA-N 394.537 2.553 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 408560606 ZYEBCEZUSVTGMG-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1C 408601211 AMKIXEJEXVYHHE-HZPDHXFCSA-N 390.505 2.938 0 40 GFAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(-c2cccs2)n[nH]1 38679678 XIHPGPVWZAUVRS-GXFFZTMASA-N 390.490 2.875 0 40 GFAB CC(C)N1C[C@@]2(CCN(Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O 306128865 HNAFCHVOAVCMTJ-FQEVSTJZSA-N 387.505 2.518 0 40 GFAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c1 409216966 MRWSHZHATJHCGM-OVCLIPMQSA-N 379.434 2.939 0 40 GFAB C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 1538960065 HVRSJDZZTBPICF-FQEVSTJZSA-N 391.471 2.523 0 40 GFAB Cc1c(C(=O)N2CCc3nnc([C@@H]4CCCCN4)n3CC2)oc2ccccc12 72372816 XEQUBSIZCNWILX-INIZCTEOSA-N 379.464 2.846 0 40 GFAB CCOc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 39570402 UQQHDKIQPDCLKL-NRFANRHFSA-N 382.416 2.744 0 40 GFAB CC(C)OCCCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 217628551 HJSPXPPRCBCYQO-UHFFFAOYSA-N 396.465 2.683 0 40 GFAB COc1cccc(OC)c1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 35315809 AELUCTUTZNOGNP-UHFFFAOYSA-N 383.379 2.705 0 40 GFAB CC(C)(C)N1C[C@H](NC(=O)Cn2ccc3cc(Br)ccc32)CC1=O 1565524349 GIGVQXDVUVGYMW-CQSZACIVSA-N 392.297 2.919 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1OC 33698042 GTDNVPCPZYGTFR-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB CCS(=O)(=O)c1ccc(CNC(=O)c2cnnc(-c3ccccc3)c2)s1 562173255 YQLIVTUIMLACES-UHFFFAOYSA-N 387.486 2.929 0 40 GFAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2cccc(Cl)c2)CC1 72406431 DSRAEESLLBJDSY-UHFFFAOYSA-N 396.878 2.858 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 48089155 XOVYMIHQWUUHCA-HUUCEWRRSA-N 378.469 2.630 0 40 GFAB CCOc1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220079030 XRAGOXHPKHAMBY-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB CSc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225082371 TUAOEGRPPXKALF-UHFFFAOYSA-N 376.459 2.863 0 40 GFAB COc1ccc(OC)c(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 223327606 LDXBBSOLBAYILF-UHFFFAOYSA-N 384.797 2.593 0 40 GFAB CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 573466829 SXLOUXHSPPFYHD-NZSAHSFTSA-N 385.464 2.586 0 40 GFAB CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(Cn2cnnc2O)n1 573960914 PHOBJDYCWXGTSC-CYBMUJFWSA-N 394.229 2.954 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 223924908 CBUXWHDIWFNFLD-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3ccco3)C2)cc1 96227159 SAJVNFSZANLXFQ-UYAOXDASSA-N 388.489 2.559 0 40 GFAB Cc1cc(-c2nnc3sc(-c4cncc(Br)c4)nn23)n(C)n1 95472920 WODUIVWCYKUVBM-UHFFFAOYSA-N 376.243 2.719 0 40 GFAB O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1 96036827 KKVOVGNAJUPGHT-LJQANCHMSA-N 398.482 2.535 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccco1)N1CCSCC1 253403200 PMVTYVYBLPJUDQ-OAHLLOKOSA-N 384.498 2.796 0 40 GFAB Cc1nc(CC2CCN(S(C)(=O)=O)CC2)cc(Nc2ncc(C)s2)n1 257287187 POWQZUSIHCSDGA-UHFFFAOYSA-N 381.527 2.508 0 40 GFAB CSC[C@@H](CCO)NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 602270767 UAJLRMHKDWSKOF-DFBGVHRSSA-N 376.881 2.722 0 40 GFAB C[C@H]1CCCN(c2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)ccn2)C1 643186123 ARMWSCAHFCSBND-KRWDZBQOSA-N 390.491 3.404 0 40 GFAB C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)Cn1c(=O)cnc2ccccc21 648585200 WEEYHHMDFYWKDM-SZNDQCEHSA-N 381.407 2.524 0 40 GFAB Cn1nnc2c1CC[C@@H](NC(=O)Nc1cc(CC3CC3)nn1-c1ccccc1)C2 654041462 NPAIAPZOTUPKIF-OAHLLOKOSA-N 391.479 2.632 0 40 GFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCOC[C@H]2C)cc1 676516076 RPKBKUYGBWAPLA-OAHLLOKOSA-N 377.444 2.945 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390832180 XVGQGMYIXRHMNN-UHFFFAOYSA-N 391.464 2.811 0 40 GFAB CC(C)Cc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)on1 1614974186 QTAWERZXDGNZKC-JOCHJYFZSA-N 397.475 2.911 0 40 GFAB Cc1nccn1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12087361 KOQSCBQTYJGASY-MRXNPFEDSA-N 397.504 2.731 0 40 GFAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O 12968166 PPLPUJFQGFZGEP-LBPRGKRZSA-N 388.445 2.710 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)C[C@@H](C)O1 12999728 VYZCNYUIVOISED-ZIAGYGMSSA-N 392.452 2.876 0 40 GFAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 15674960 SFIDZCJIECQZDP-WBVHZDCISA-N 395.415 2.782 0 40 GFAB biogenic,in-vitro CC(C)Cc1nn2c(=O)cc(COC(=O)COc3ccccc3F)nc2s1 15734044 CPQGJLMWBYBTRS-UHFFFAOYSA-N 391.424 2.611 0 40 GFAB O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 17078891 FICJFSKNWWWKGM-QPNXVFALSA-N 386.473 2.590 0 40 GFAB CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 19446791 WDIHJWDLWRHQSY-KRWDZBQOSA-N 386.500 2.926 0 40 GFAB CCN(CC)C(=O)CN1CCO[C@H](c2ccc(Cc3ccc(OC)cc3)cn2)C1 19692885 BWDGLSDBOCKDTI-QFIPXVFZSA-N 397.519 2.923 0 40 GFAB O=C(c1cn2c(n1)COCC2)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 625508776 HNCZEOFUOFZLJX-UHFFFAOYSA-N 398.551 2.778 0 40 GFAB Cc1cc(-c2cnc(NCCN3CCN(C)CC3)nc2-c2cccs2)on1 22914254 GMILOWZGUCNHSV-UHFFFAOYSA-N 384.509 2.828 0 40 GFAB O=C([C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1)N1CCCCC1 1888856539 PYHKREGYRVAVCW-ZDUSSCGKSA-N 377.794 2.972 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888890502 ODOAGNSGKHAPKX-CQSZACIVSA-N 391.468 2.891 0 40 GFAB CSc1ccccc1NC(=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056224566 VKZKNQSWSLGZCC-ROUUACIJSA-N 384.505 2.921 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1F 253472034 IKXQCXJRDTVNTL-KRWDZBQOSA-N 390.440 2.536 0 40 GFAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(CCc3ccccc3)C2)C1 1201596519 GKNNZJNWQLKBSU-HSZRJFAPSA-N 392.503 2.894 0 40 GFAB CCOc1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1 4032797 UFPLTPREGMZLRK-UHFFFAOYSA-N 396.443 2.917 0 40 GFAB COc1ccc(O[C@H]2C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc3c(c2)OCO3)cc1 4686283 XDGXKYVFNMZNRW-DZFGPLHGSA-N 397.427 2.934 0 40 GFAB CCc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccco3)nn2)s1 10324727 VAXTXDXEJCIWJD-UHFFFAOYSA-N 379.463 2.718 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1 12440033 QUFYRAXMTWZGDM-GFCCVEGCSA-N 394.456 2.604 0 40 GFAB O=C(c1cnn(-c2ccccc2)n1)N1CC(c2nc(-c3cccs3)no2)C1 49483882 KMPKKVLCUKZNGJ-UHFFFAOYSA-N 378.417 2.618 0 40 GFAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)c1csc2c1CCCC2 19346784 AWQLPLDGWNDDEI-AWEZNQCLSA-N 395.532 2.879 0 40 GFAB Cc1nc2c(cc1C(=O)NC[C@@H](C)N1CCc3ccccc3C1)c(C)nn2C 30112610 OULADNZPOOCJEE-CQSZACIVSA-N 377.492 2.762 0 40 GFAB Cc1cc(=O)n2nc(COC(=O)CCC(=O)c3ccc(Cl)s3)sc2n1 7879904 XWTGIMAJIQKZSZ-UHFFFAOYSA-N 397.865 2.881 0 40 GFAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 804295 YDGXRNSIAKNLOL-MRXNPFEDSA-N 382.416 2.544 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)cc1 3517671 WBKWAINTILCRER-UHFFFAOYSA-N 394.496 2.825 0 40 GFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4ccncc4)CC3)c2c1 20721867 YLLJRNOCGFVBGN-HXUWFJFHSA-N 380.448 2.515 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1 32455695 PMTLXOAIWMLUNI-CYBMUJFWSA-N 394.273 2.538 0 40 GFAB O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 11691656 GTXZKBGYWQPLDC-UHFFFAOYSA-N 382.397 2.685 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2cccc(F)c2)cc1NS(C)(=O)=O 32771559 WFQDBHRZBISNBU-LLVKDONJSA-N 381.429 2.645 0 40 GFAB CC(=O)N[C@@H](C)CCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 32778342 OFHYIYUKCNQQDH-NSHDSACASA-N 396.274 2.890 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318291 APRGPLMMAHFXKK-HXUWFJFHSA-N 379.460 2.908 0 40 GFAB Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1 32863002 CWNXKENZXGWJID-OAHLLOKOSA-N 375.494 2.853 0 40 GFAB O=C(/C=C/c1ccco1)NCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 32826438 DYVAYQQFRRSKKT-CFGKVWFZSA-N 381.476 2.752 0 40 GFAB O=C(Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O)NCc1ccco1 21660785 LIPVYMGAYGVFKF-UHFFFAOYSA-N 377.322 2.839 0 40 GFAB CS(=O)(=O)Nc1cccc2c1CCCN2CC(=O)NC1CCCCCC1 52992596 QGHNMQCTSDEYQM-UHFFFAOYSA-N 379.526 2.650 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 11915090 JLWDTEHHXLDOLN-UHFFFAOYSA-N 381.363 2.801 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2nc(C)cc(C)n2)cc1Br 678908 NXJRWOBHGHONDD-UHFFFAOYSA-N 395.282 2.991 0 40 GFAB CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 627296 ZPTXDQDYKVDCEZ-UHFFFAOYSA-N 378.885 2.873 0 40 GFAB COC(=O)c1sccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1 29990209 GNAICQJYKFKTOX-UHFFFAOYSA-N 389.462 2.550 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100611412 FZBAMBKNOAPLID-BETUJISGSA-N 377.238 2.647 0 40 GFAB Cc1cnc(C(=O)N(Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)cn1 29076007 XGQQCXAIPQEGIC-UHFFFAOYSA-N 392.381 2.882 0 40 GFAB CCOc1ccccc1NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22932088 DDRIKDFPYWFHQA-UHFFFAOYSA-N 395.503 2.777 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20245042 SKFTYWRYBYGUTR-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 23761881 ZQIOCTMLKHFADY-INIZCTEOSA-N 390.487 2.944 0 40 GFAB COc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OC 24136215 LDQMUHOTSVWSBQ-UHFFFAOYSA-N 396.487 2.526 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCC[C@H]2CCCC[C@H]21 24226344 RIWXJILHUHTVFP-IAGOWNOFSA-N 386.521 2.893 0 40 GFAB CNC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1 55188364 IFGLOUXJHIJMJJ-INIZCTEOSA-N 386.477 2.672 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 61803930 WLCWZCUNPAXJQV-LPHOPBHVSA-N 384.501 2.658 0 40 GFAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)o1)S(C)(=O)=O 20030403 BOVFLCTYVQJSBF-VMPITWQZSA-N 388.367 2.740 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1OC 25733276 QDXKXLDGSORNRZ-UHFFFAOYSA-N 390.386 2.580 0 40 GFAB Cc1nc2cc(C(=O)NCC(=O)NCc3ccco3)ccc2n1-c1ccccc1 12525500 OFPUTHGSBYBZJC-UHFFFAOYSA-N 388.427 2.973 0 40 GFAB COc1ccccc1CNC(=O)COC(=O)Cc1ccc(Br)cc1 3235678 RMBOLBUGRZZCHW-UHFFFAOYSA-N 392.249 2.860 0 40 GFAB Cc1ccccc1C[C@@H](C)NC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 58159847 AQSUVISYIRNTEL-OAHLLOKOSA-N 376.460 2.739 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(CN(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1 10229158 IIRXKGHGNKOTBS-CXAGYDPISA-N 376.478 2.877 0 40 GFAB Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)s1 10628338 JDPMGPVSVKTPQJ-VIFPVBQESA-N 393.412 2.776 0 40 GFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7980366 AWVGBZAROLQLRS-OAHLLOKOSA-N 395.850 2.908 0 40 GFAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(Cl)c2)c1 3333760 AJWZJVNQRWSBOT-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CCC3(CC2)OCCO3)CC1 58793380 NEQCYCZLRDEHCL-UHFFFAOYSA-N 382.501 2.826 0 40 GFAB CCCS(=O)(=O)NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 8050990 UFRFZKRFSNIEPS-CQSZACIVSA-N 391.511 2.732 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CCNC(=O)c1ccc(Br)cc1 8118016 YTCAKFMEUCSESN-UHFFFAOYSA-N 379.258 2.558 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 12985513 BMBJKYFRVQTFQI-HNNXBMFYSA-N 392.463 2.857 0 40 GFAB CC(=O)Nc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2)c1 12920728 DLJKQRDPSPGQCI-GFCCVEGCSA-N 382.449 2.740 0 40 GFAB CCOc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)cc1 14066062 RMKQVHCPMLYZKR-UHFFFAOYSA-N 395.503 2.550 0 40 GFAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)c(O)c1 14141492 PRIKQQVWILHNEL-UHFFFAOYSA-N 388.367 2.636 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 14200429 QDUWFDCPOWDQEX-UHFFFAOYSA-N 396.413 2.871 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1F 18149042 XBIDTGQKFRLGOA-VXGBXAGGSA-N 395.228 2.868 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OCCCO2 5629435 UHXALCZRBWXIBR-UHFFFAOYSA-N 383.433 2.554 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@@H](C)c3ccccc3C)c(=O)c12 19432339 RTKZBQJJNUKETA-ZDUSSCGKSA-N 397.431 2.660 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6928884 STZXYKYIMAPQGU-DOTOQJQBSA-N 391.464 2.809 0 40 GFAB Cc1c(C(=O)N(C)[C@H](C)c2cccnc2)nnn1-c1ccc2c(c1)OCCO2 67137980 IPRKSJDPMBBRRD-CYBMUJFWSA-N 379.420 2.575 0 40 GFAB Cc1ccc(N2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)cc1 67263197 UTUZHFIUMFIXNZ-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB COC(=O)[C@@](NC(C)=O)(Nc1nc2c(C)cc(C)cc2s1)C(F)(F)F 9090095 OKUNNLOTXMAFNP-CQSZACIVSA-N 375.372 2.893 0 40 GFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1 96014042 HKWGMOVVIXNUSQ-LJQANCHMSA-N 394.537 2.715 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)CCc1ccsc1)OCO2 24867387 VUNUEZQKVNBSMD-UHFFFAOYSA-N 375.402 2.794 0 40 GFAB Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(-n2cnnn2)cc1 9365757 FSBVHQJTBWVOQU-UHFFFAOYSA-N 391.460 2.887 0 40 GFAB O=C1COc2cc(NCc3c[nH]nc3-c3ccc4c(c3)OCCO4)ccc2N1 96998725 VYDXJOOEXXOHAG-UHFFFAOYSA-N 378.388 2.791 0 40 GFAB CCOC(=O)c1c(C)oc2ncnc(NCCNC(=O)c3cccc(C)c3)c12 97020936 SRZLDQFJWHRNNA-UHFFFAOYSA-N 382.420 2.858 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3nc4cc(Cl)ccc4[nH]3)o2)C1 97165096 DADWONRFSHNANV-VIFPVBQESA-N 398.897 2.869 0 40 GFAB CC(C)CNC(=O)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 95475846 KSUNKGMUZXIBSE-UHFFFAOYSA-N 381.480 2.822 0 40 GFAB Cn1cc(-c2ncc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)s2)cn1 78806398 LGZLDWRZDYLNDR-ZDUSSCGKSA-N 393.476 2.606 0 40 GFAB O=C(Nc1nncs1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 27792829 UZUTYLYFRQXKBG-HNNXBMFYSA-N 382.401 2.569 0 40 GFAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccccn1)CCO2 306128323 GXJLQFZZCQFHTE-FXAWDEMLSA-N 386.521 2.790 0 40 GFAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3)C[C@H]1C2 306123748 AVNCADMABUBCKL-WOJBJXKFSA-N 387.487 2.512 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)cc1Cl 67320568 PNRNRGRFWPEMLC-UHFFFAOYSA-N 383.835 2.908 0 40 GFAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36614878 MDQFJRBXPHGREU-UHFFFAOYSA-N 381.836 2.586 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218434231 BZGABXHDEYOCMW-LZLYRXPVSA-N 380.849 2.651 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 36752882 LMUAEZOFWNFJCP-GOSISDBHSA-N 396.447 2.649 0 40 GFAB Cc1cnc(NC(=O)C2=C(O)c3sc(Cl)cc3S(=O)(=O)N2C)s1 38836812 MXKICRYCQXZDES-UHFFFAOYSA-N 391.883 2.666 0 40 GFAB in-vitro CCOC(=O)[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218606371 KWDDTXHGUJXPFX-HBFSDRIKSA-N 391.464 2.582 0 40 GFAB COc1ccc(-n2cc(C(=O)NCCc3c[nH]cn3)c3ccccc3c2=O)cc1 70666629 YADFBSGRKZGZGF-UHFFFAOYSA-N 388.427 2.695 0 40 GFAB biogenic COc1ccc(C(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)cc1OC 40386358 NBECNHRYSLPUQG-QGZVFWFLSA-N 394.427 2.886 0 40 GFAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(CC3CC3)CC2)C1 72372430 SALASTHEATXZON-NRFANRHFSA-N 397.563 2.933 0 40 GFAB CCCCOc1cccc(CNC(=O)CCn2nnc3ccccc3c2=O)c1 40122188 IVBXBDXEAWWNEI-UHFFFAOYSA-N 380.448 2.677 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)s1 222731113 TYFLVSHQBFSOEJ-CYBMUJFWSA-N 394.522 2.879 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCOC 223262892 JGXDOLBZLUALMF-OAQYLSRUSA-N 398.503 2.808 0 40 GFAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 223857559 SJPQVHROZYQDPU-LBPRGKRZSA-N 387.910 2.924 0 40 GFAB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)cc1 224852236 VSWICHQOHGVMSV-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(F)c(C)c2)c1 225603473 GBHNPVPWNZTIHW-UHFFFAOYSA-N 381.381 2.508 0 40 GFAB Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)NCc1cccnc1 49551000 LBPTUGAVDPMTRF-UHFFFAOYSA-N 383.835 2.943 0 40 GFAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccccc1 224670712 AMYAZYWAYQYFOB-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)OC1CN(c2nc3ccc(F)cc3s2)C1 77200613 GFHDKHGZXYAOQA-UHFFFAOYSA-N 399.403 2.775 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145353 HTHHKGMZXULUAN-NHCUHLMSSA-N 398.528 2.682 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C[C@@H](C)O1 245237554 NKMHXWGDJORQIH-SPCJURDBSA-N 392.521 2.859 0 40 GFAB Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)n1C 257233986 GROVXTGFEBWPFN-INIZCTEOSA-N 376.464 2.675 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2ccn(C)n2)C1 257329276 XJDYGICVASPXDH-INIZCTEOSA-N 395.511 2.928 0 40 GFAB O=C1NCCc2c1ccc(NC(=O)[C@@H]1CCC(=O)N(c3cccc(F)c3)C1)c2F 622865820 JWUKNCLHGLFWPP-GFCCVEGCSA-N 399.397 2.632 0 40 GFAB Cc1c(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)nnn1Cc1ccncc1 647828069 IXYKWSPEDVRFNF-UWJYYQICSA-N 375.432 2.709 0 40 GFAB CSc1ccc(CCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1 96122081 RKJKYELJEZOTBY-UHFFFAOYSA-N 379.503 2.760 0 40 GFAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cc4c(s2)CCC4)C3)n1 575403702 JEOKWSOYWHQLGG-OAHLLOKOSA-N 385.489 2.788 0 40 GFAB C[C@@H]1CN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC2(CCOCC2)O1 574008091 OLOJPWYUAMODKJ-OAHLLOKOSA-N 390.480 2.672 0 40 GFAB O=C(Nc1cccc(I)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 219630322 NPABUOAYDFMERC-WTTBSCSTSA-N 383.185 2.753 0 40 GFAB CCOC(=O)c1[nH]c(C)c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c1C 12146033 OTDWKYUOOZRSQX-UHFFFAOYSA-N 397.475 2.923 0 40 GFAB COc1cc(-c2cnc(N3C[C@H](C)O[C@@H](C)C3)nc2-c2ccco2)nc(OC)n1 12240455 MUEBETYJRRZKIW-STQMWFEESA-N 397.435 2.824 0 40 GFAB CCNc1nc(NCC)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1 18194927 VSYMMWGOYMFQQL-UHFFFAOYSA-N 397.439 2.775 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCc2cc(Cl)ccc21 19666553 KYACGZUKNAUFIA-UHFFFAOYSA-N 375.856 2.874 0 40 GFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3cnn(C)c3)c2)cn1 19690994 XSHZAHQTOZGEJO-OAQYLSRUSA-N 390.491 2.882 0 40 GFAB COCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 19694584 VDEAEXWFLVZZHP-INIZCTEOSA-N 384.480 2.571 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)no2)cc1 19715064 WAVMIKJLCAVOJE-FQEVSTJZSA-N 392.459 2.848 0 40 GFAB Cc1cc(-c2cnc(C(C)C)nc2CN(C)C(=O)c2ccc(C)[nH]c2=O)on1 12160041 WVNRWQQVNJRWIE-UHFFFAOYSA-N 381.436 2.832 0 40 GFAB COc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1Cn1nc(C)cc1C 19574407 LOYIKWXWFBACPT-YADHBBJMSA-N 398.551 2.588 0 40 GFAB Cc1nc2cc3c(cc2n1CC(=O)N[C@H]1CCOc2ccccc21)OCCO3 19666544 OZLBPXDEJKYFEU-HNNXBMFYSA-N 379.416 2.756 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NCCOc2cccc3c2OC(C)(C)C3)c1 26882190 OYGANKSOMPOCBK-UHFFFAOYSA-N 389.473 2.960 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1 32455697 PMTLXOAIWMLUNI-ZDUSSCGKSA-N 394.273 2.538 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775986074 SQGKSWLSUBNHTG-UHFFFAOYSA-N 383.467 2.743 0 40 GFAB CC(=O)N1CCC2(CCCCNCCOc3ccccc3C(=O)N(C)C2)CC1 2037978463 XOEZCCSROFWJPW-UHFFFAOYSA-N 387.524 2.540 0 40 GFAB CCOC(=O)N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O 2397510 UBWFPFAPKJZQIS-GFCCVEGCSA-N 383.685 2.744 0 40 GFAB CCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)c(C)n23)n(C)c1=O 4250860 BBFZXLRBUVOKDG-UHFFFAOYSA-N 385.855 2.737 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3 4517808 ZEXZTUMCKVXDKG-UHFFFAOYSA-N 376.415 2.681 0 40 GFAB COc1ccc(N2C[C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 9039172 UMNUITSPZZFXBL-CYBMUJFWSA-N 383.404 2.599 0 40 GFAB O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)Nc1nccs1 9391081 FRONKJRXZJKZGE-UHFFFAOYSA-N 397.532 2.968 0 40 GFAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 9472116 UCDHMDOYICWPFL-UHFFFAOYSA-N 379.438 2.938 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1775968186 MTBDAQNRWVJAHZ-UHFFFAOYSA-N 397.866 2.635 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](c1ccsc1)n1cccn1 575613322 FPFZSALVVLVLMQ-KRWDZBQOSA-N 389.502 2.514 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(Br)c1 18323425 SNEVYIAHIJHQNF-ZDUSSCGKSA-N 385.283 2.814 0 40 GFAB O=C(NCCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17116963 BMMZYQSTKRZCAZ-UHFFFAOYSA-N 377.510 2.593 0 40 GFAB COc1cc(CS(=O)(=O)[C@H](C)C(=O)NC2CCCC2)ccc1OC(F)F 40106107 DRRKWCWHSKXPGG-LLVKDONJSA-N 391.436 2.659 0 40 GFAB COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1-n1cnnn1 40286874 NJBINRHLYIEMPS-UHFFFAOYSA-N 394.218 2.995 0 40 GFAB O=[N+]([O-])C(=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2)[N+](=O)[O-] 100673830 GHXGBUJRQJRUQY-FOIQADDNSA-N 382.420 2.864 0 40 GFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@H](O)c2ccccc2F)C1 28915057 UVSMBHPDWBEMHD-KUHUBIRLSA-N 388.464 2.886 0 40 GFAB Cn1ccnc1[C@H](NC(=O)COC(=O)c1cc(F)cc(F)c1)c1ccccc1 28943436 WWBVSJSGHUJHAS-GOSISDBHSA-N 385.370 2.761 0 40 GFAB COc1cc(CNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)ccn1 29195888 SEYSXUBSFZDOPP-KRWDZBQOSA-N 375.428 2.913 0 40 GFAB COCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)s1 31809499 QDLQOWLHEKPIRJ-UHFFFAOYSA-N 388.449 2.579 0 40 GFAB CN1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 2377037 FFXQZPNQCIUTQO-QFIPXVFZSA-N 395.528 2.848 0 40 GFAB COc1cc(CCC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC 6639164 SGIVRBIIHXWHBE-HOCLYGCPSA-N 393.480 2.883 0 40 GFAB CCOc1c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cccc1OC 6958197 UKJHVCTZMAAIAJ-RVDMUPIBSA-N 390.461 2.753 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O 7005771 SFEDZEPILFOVOV-OAQYLSRUSA-N 381.432 2.874 0 40 GFAB Cc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1Cl 7940762 XQPLGVIOFCQTQW-UHFFFAOYSA-N 377.853 2.668 0 40 GFAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 101578647 BQQVNSIEULXIPZ-RZMCSOMXSA-N 388.508 2.609 0 40 GFAB CCc1c(C(=O)OCC(=O)Nc2ccccc2OC)cnn1-c1ccccn1 32913740 IBZFUZZSLAUXGU-UHFFFAOYSA-N 380.404 2.634 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)NCCCn2cnc3ccccc32)C[C@@H](C)O1 54921664 FFVDFYMBOVVFPI-CALCHBBNSA-N 387.528 2.613 0 40 GFAB Cc1c(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cnn1C 47459031 JDEZDLCWRIRHJO-UHFFFAOYSA-N 376.463 2.843 0 40 GFAB CCSc1nc2n(n1)[C@@H](c1cnn(C)c1)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 104611371 CUODOWOBTTYGSB-KCXAZCMYSA-N 397.508 2.782 0 40 GFAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 24991517 LFSCBUYTOSLPGL-IVKJLDKCSA-N 392.521 2.625 0 40 GFAB CN1CCN(CC(C)(C)CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)CC1 22926491 XAVACSPPZPMQFP-LIMIJEPZSA-N 389.559 2.914 0 40 GFAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1cccc(S(C)(=O)=O)c1)n2C 101041769 JWFCUAVKJKPBJF-VHEBQXMUSA-N 390.486 2.783 0 40 GFAB COC(=O)c1cc(NC(=O)c2c(Cl)nc3sccn23)cc(C(=O)OC)c1 3230766 QPPLBNJWSLEFGA-UHFFFAOYSA-N 393.808 2.875 0 40 GFAB CCOC(=O)c1ccc(Nc2nnc(SCc3ccccc3)n(N)c2=O)cc1 28535716 KXGIVPSSRFXUFC-UHFFFAOYSA-N 397.460 2.565 0 40 GFAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c1 28207960 WNKZVOSWHAWZLG-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C(=O)O)c3ccccc3)ccc12 2124294 KKGJKNOQCPDVMW-ORAYPTAESA-N 381.384 2.811 0 40 GFAB biogenic C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cn3cccnc3n2)CC1 36395005 DMLJDQGOPWYURC-AWEZNQCLSA-N 392.488 2.858 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 24537874 QHTZLWQGQCBJMV-NRFANRHFSA-N 393.487 2.683 0 40 GFAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(OC)c1 12751279 HJCYMJSYPIIALS-LJQANCHMSA-N 397.475 2.839 0 40 GFAB COC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 10992552 RNIBRDORKKFUDA-AWEZNQCLSA-N 381.432 2.642 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)OCc2cccc(C)c2)cc1 12894487 MTKHPJPMORHSFH-UHFFFAOYSA-N 389.473 3.000 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3557311 QYSMADYSHBBEPP-RZMWGWOTSA-N 382.485 2.845 0 40 GFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2OC)C1=O 3596153 QOEBOPAEEVNCJP-QFIPXVFZSA-N 395.459 2.559 0 40 GFAB Cc1ccc(C2=NN(C(=O)[C@@H](O)c3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 20070050 HTZMUQDCBPVADW-WMZOPIPTSA-N 378.350 2.916 0 40 GFAB CCc1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 13012056 HCYSIIWTAUITSD-SFHVURJKSA-N 385.489 2.951 0 40 GFAB CCOc1ccccc1-n1nnnc1SCc1nc(N)c2ccccc2n1 8747509 JVLWJCLXTAFLJW-UHFFFAOYSA-N 379.449 2.879 0 40 GFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCC(=O)c1ccc[nH]1 4316082 IRFKNVDKHYFGDM-UHFFFAOYSA-N 390.395 2.970 0 40 GFAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 6361990 YJOIZTKQIPCUMF-AWEZNQCLSA-N 394.431 2.584 0 40 GFAB Cc1cc(C)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(CCO)C3=O)c(O)c1 5343548 TXMRTUGJGJKEDT-HXUWFJFHSA-N 379.416 2.642 0 40 GFAB COc1ccc(N(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(=O)c2ccco2)cc1 18243768 YXUQDXNUFPAGGP-IRXDYDNUSA-N 380.400 2.844 0 40 GFAB COc1ccc(O)c(C(=O)c2cc(C(C)=O)c(=O)n(-c3ccccc3OC)c2)c1 14238551 HFLVCFPKZWQMDN-UHFFFAOYSA-N 393.395 2.994 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(C)nc3ccc(C)cc23)NC(=O)N[C@H]1C 6508608 XNPOEOJKZVHEFU-ZDUSSCGKSA-N 397.431 2.527 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1F 6553047 HVLPPDGXLFINOV-SFHVURJKSA-N 394.406 2.717 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 5530607 KQJKVGAPDVRDBK-UHFFFAOYSA-N 394.456 2.712 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 6790608 HNHNZJPDTDTDPW-GOSISDBHSA-N 377.400 2.618 0 40 GFAB CC(C)NC(=O)c1cc(C(=O)c2cc(Br)ccc2O)coc1=N 5863251 NEVKVCDJPWFTMM-UHFFFAOYSA-N 379.210 2.596 0 40 GFAB COc1ccc(C)cc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842958 AHLOJZWVGYXQRI-CYBMUJFWSA-N 388.445 2.568 0 40 GFAB COc1ccc(CN(C(=O)COC(=O)c2cc(OC)ccc2O)C2CC2)cc1 19352076 SQXFPFHYDSLTBC-UHFFFAOYSA-N 385.416 2.757 0 40 GFAB COc1cc(CN[C@@H]2CCOc3ccc(F)cc32)cc(Cl)c1OCC(N)=O 68984980 TZIMVEJOABKUIC-OAHLLOKOSA-N 394.830 2.965 0 40 GFAB CCCCCn1c(-c2ccc(OC)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 16839403 XBFQODLWIKCBGG-UHFFFAOYSA-N 381.436 2.542 0 40 GFAB CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1=O 9236415 MSGPWPKOGUUCMK-INIZCTEOSA-N 397.450 2.951 0 40 GFAB CCCCn1nnnc1CSc1nnc(Cc2cccc3ccccc23)n1N 9534781 USKVHLVXPLLNPV-UHFFFAOYSA-N 394.508 2.815 0 40 GFAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 19961150 OOIQXWZHAYGZSQ-OAHLLOKOSA-N 395.463 2.558 0 40 GFAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)NC(C)C)N(C)CC3)OCO2 1547139736 ZDUGEWSREBHWKP-LLVKDONJSA-N 399.285 2.630 0 40 GFAB biogenic O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1CCN(c2cnccn2)CC1 84392793 KYDJRYBKSASMSG-UYAOXDASSA-N 384.455 2.869 0 40 GFAB COC(=O)C1(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)CCSCC1 95444088 YBWFXVSJDDCUKN-UHFFFAOYSA-N 397.928 2.506 0 40 GFAB COC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)(C)C 78820506 DXXZOPQBLONRCP-AEFFLSMTSA-N 388.508 2.860 0 40 GFAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)cs1 95972823 MOKDKBANYMEWEV-OAHLLOKOSA-N 387.553 2.544 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(COC)c(OC)c1 95965965 APLPIXJKYONPBV-UHFFFAOYSA-N 386.448 2.951 0 40 GFAB COCCn1ccc2c(C(=O)N3CCN(CCc4ccncc4)CC3)cccc21 79489948 HDPWAKFEJGUDRL-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 306130327 JCOTZVACDYDDLV-UHFFFAOYSA-N 394.523 2.574 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 408758988 VZGFOKONQSNYMD-GVAFMPQTSA-N 395.196 2.514 0 40 GFAB CC1(C)CN(C(=O)Nc2cc(-c3ccccc3F)on2)C[C@]2(CCOC2)O1 555773799 OBDWFPBURSJVJS-IBGZPJMESA-N 375.400 3.283 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1C 409251680 VOVGJAFVOPAKFR-LFIBNONCSA-N 395.415 2.544 0 40 GFAB CCC(=O)N1CCc2cc(-c3csc(CN4CCN(C(C)=O)CC4)n3)ccc21 523491651 UNYFZOBIXGCJAY-UHFFFAOYSA-N 398.532 2.773 0 40 GFAB CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)[C@@](CN)(c2ccccc2)S1 36488437 ZRLQKEHEOWGFAF-LJQANCHMSA-N 376.526 2.853 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 30756894 BWBXFIDCAOMERP-UHFFFAOYSA-N 390.505 2.730 0 40 GFAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 72358729 UJDLGHDONGOXGE-GOSISDBHSA-N 387.443 2.657 0 40 GFAB CCOC(=O)Cn1cnc2c(sc3nc4c(cc32)CO[C@](C)(CC)C4)c1=O 32105319 USRHQDDFNLBMHQ-LJQANCHMSA-N 387.461 2.811 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 30850015 LDEMNQCZOWOWRL-UHFFFAOYSA-N 390.487 2.943 0 40 GFAB N[C@H](C(=O)N1CCC(c2cc(Nc3ccccn3)[nH]n2)CC1)c1ccccc1 72360776 VKPUWQKODAYLQW-FQEVSTJZSA-N 376.464 2.954 0 40 GFAB Cc1cc(C)n2nc(C(=O)N[C@@H](C)Cc3ccc(Br)cc3)nc2n1 40121303 DQDVKNCSIRGTBL-NSHDSACASA-N 388.269 2.865 0 40 GFAB COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224228229 KLZFURGYVMTMRX-UHFFFAOYSA-N 382.869 2.541 0 40 GFAB COCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4OC)C3)ccc2[nH]1 44893027 CBPBDJIRMQELHL-CYBMUJFWSA-N 394.431 2.710 0 40 GFAB CCN(c1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 224357027 YTYGDFCQRTVPPT-SFHVURJKSA-N 388.489 2.811 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)nn1-c1cccc(F)c1 574649538 SYFFZAZRHMFFMX-DOTOQJQBSA-N 398.442 3.095 0 40 GFAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(OCC(N)=O)c2)cc1 95481212 REPMMFJDZLKETB-KRWDZBQOSA-N 392.415 2.869 0 40 GFAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)c1F 244955828 GBJKJDKTZLTZQW-INIZCTEOSA-N 391.468 2.940 0 40 GFAB NCCc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3F)[C@H]3CNCC[C@H]32)cc1 257227689 FQLWXDAXRPXCEA-SFHLNBCPSA-N 385.458 2.684 0 40 GFAB COc1cccc(OC)c1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257284018 PAXKJAXBTDVVPU-RXVVDRJESA-N 376.497 2.948 0 40 GFAB Cc1ccc(N(C)[C@@H]2COC3(CCN(C(=O)c4cnc(C)cn4)CC3)C2)cc1 257236021 HANJLIPNJPLJBU-IBGZPJMESA-N 380.492 2.994 0 40 GFAB Cn1ccnc1-c1cncc(C[C@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)n1 257318766 VPGAODOWIVTNAO-CYBMUJFWSA-N 383.402 2.860 0 40 GFAB Cc1n[nH]cc1C1CCN(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)CC1 585082098 DHRBIRBLYHOLRS-UHFFFAOYSA-N 396.900 2.763 0 40 GFAB CO[C@H](C)C(=O)N(Cc1cccnc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 585079650 FRTHBXYLPUHRGJ-WBVHZDCISA-N 377.485 2.702 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)NC[C@H](C)c2ccccc2)Oc2ccccc21 260850858 SEHPDPPRTAUHOH-KXBFYZLASA-N 388.489 2.524 0 40 GFAB Cc1cc2c(cc1C)[C@@H](C(=O)NCc1nnc3n1CC[C@H](C(F)(F)F)C3)CO2 1651900621 AKDZNYOMXNSCJO-JSGCOSHPSA-N 394.397 2.812 0 40 GFAB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)/C=C/C(=O)O 1223645 UMILXSMIIBLQNK-BQYQJAHWSA-N 388.376 2.909 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C)c(C)c3)CC2)cc1 5172256 JWDZUCNALGMIDY-UHFFFAOYSA-N 386.517 2.687 0 40 GFAB COc1ccc(CN(Cc2cncn2C)C[C@@H]2CCCO2)c(OC)c1OC 12116774 RMXVGOHGQMGXDG-KRWDZBQOSA-N 375.469 2.627 0 40 GFAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1cc(OC)ccc1OC 12182726 WFONZVLCQUZTTE-QGZVFWFLSA-N 395.459 2.551 0 40 GFAB CN(C)[C@H](CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 12203662 VJCPAESDNBZILW-XMSQKQJNSA-N 395.459 2.718 0 40 GFAB COc1ccccc1[C@]1(O)CCCN(C(=O)COc2ncnc3ccccc23)C1 12290436 QAEZLPVQHNCVHN-QFIPXVFZSA-N 393.443 2.527 0 40 GFAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 12293386 OLURAHSSWPUPKF-RTBURBONSA-N 397.471 2.842 0 40 GFAB OCc1nnc2n1CCN(Cc1cn(Cc3ccccc3F)c3ccccc13)C2 12344364 APXWPACYEXEDQD-UHFFFAOYSA-N 391.450 2.928 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 14291941 SWWWWSLCWVCVOO-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB NC1=N[C@@H](c2ccccc2)C2=C(N1)C(=O)N(c1ccc(Br)cc1)C2 16954573 GDEXKWLYGFZBDC-HNNXBMFYSA-N 383.249 2.709 0 40 GFAB O=C1NC2(CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)Nc2ccccc21 19374660 MDXJJJLSQGMPDP-UHFFFAOYSA-N 393.472 2.926 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)C(=O)CC2 19741057 BYFKLPPPUDGWRF-GOSISDBHSA-N 379.464 2.733 0 40 GFAB CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)O 649261472 JDNAVVIMRADVLM-HZMBPMFUSA-N 387.263 2.825 0 40 GFAB COc1ccc([C@@H]2CN(C(=O)n3ccnc3)C[C@H]2c2cc(O)nc(C)n2)cc1 12087528 DARBLHVRWULGCG-DLBZAZTESA-N 379.420 2.547 0 40 GFAB COc1cc(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)ccn1 12161657 RJDKSZAKLWDUCD-INIZCTEOSA-N 381.436 2.823 0 40 GFAB CCOc1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1OCC 2704560 OVDRODOYHTZPRU-LFIBNONCSA-N 383.429 2.756 0 40 GFAB O[C@H]1CCN(Cc2cc[nH]n2)CCCCCc2cc(Cl)ccc2OC[C@H]1O 2037972666 VTOCGCXNGGPUHF-RBUKOAKNSA-N 393.915 2.782 0 40 GFAB Cn1nc(CNC(=O)C2CC(F)(F)C2)c2cc(C(=O)NC3CCC3)sc21 1565546599 HVEANTQWVPSIOT-UHFFFAOYSA-N 382.436 2.579 0 40 GFAB COC1(CC(=O)N2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)CCC1 1565542939 LDVOLQDCVRIGGN-TZIWHRDSSA-N 388.508 2.955 0 40 GFAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)NC1CCCC1 4166435 BVLHOYXHBFWQIT-UHFFFAOYSA-N 386.456 2.560 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1 4496247 XWDAMOOTWDUDDN-UHFFFAOYSA-N 381.797 2.786 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)c(C)c3)CC2=O)cc1 9035893 CHTVNMDEWYBSSP-INIZCTEOSA-N 388.489 2.643 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccccn2)o1 10250698 LKRFDOYFAXILPR-UHFFFAOYSA-N 392.824 2.588 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccc(Cl)c1 13036713 KLEORNNHWSBHAA-UHFFFAOYSA-N 383.770 2.759 0 40 GFAB COc1ccc(CCNC(=O)N2CCC[C@@H](Oc3nc(C)cc(C)n3)C2)cc1 585340564 ZDUAWIAZHUIVRK-LJQANCHMSA-N 384.480 2.898 0 40 GFAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1ccc(-n2cccn2)cc1 585150719 DBKYJTFXHFBTHA-OAHLLOKOSA-N 391.518 2.768 0 40 GFAB COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccc(Cl)cc3)N2)c1 4279785 KJXAAKVVGYSWHK-KRWDZBQOSA-N 395.850 2.786 0 40 GFAB COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)cc1 4853645 SJOSWMIZGXDMSM-UHFFFAOYSA-N 395.437 2.676 0 40 GFAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Nc1ccc(Cl)cc1)O[C@@H]1OC(C)(C)O[C@H]21 2667100 XINPLTKQOKCZLO-WZYWGQKZSA-N 383.828 2.675 0 40 GFAB biogenic CCOc1ccccc1CCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 40059626 OYASHIGZSNBZQK-MRXNPFEDSA-N 391.493 2.521 0 40 GFAB CCCC[C@H](CC)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 40072370 OQXAHWKLUPDGIY-KRWDZBQOSA-N 387.590 2.856 0 40 GFAB Cn1ccnc1COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 40119590 JOMMIVMHVVJDME-UHFFFAOYSA-N 375.432 2.619 0 40 GFAB O=C(O)C1=C(C(=O)Nc2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)CCC1 1566671 XPSMPRADNLFZIW-UHFFFAOYSA-N 384.388 2.694 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@]3(C)C[C@H]2c2ccccc2O3)cc1 4077025 ZLVLCDILEFVYCR-KPLVRAHFSA-N 380.444 2.667 0 40 GFAB C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCO1 45890715 IDTIYSQQXKXRGW-PXNSSMCTSA-N 382.460 2.771 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 6176027 VPOLFMKERJDHGE-LLVKDONJSA-N 387.288 2.977 0 40 GFAB Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)N3CCc4ccccc43)CC2)cc1F 52129727 VBEJSUSFDCXSNW-QGZVFWFLSA-N 395.478 2.870 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 32795495 FYXRBMFRCYWKSB-UHFFFAOYSA-N 398.916 2.798 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 32802321 TXNRNHWFNGVEJF-IBGZPJMESA-N 396.422 2.919 0 40 GFAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)no1 8417535 QMJVLIKLHCXWBL-UHFFFAOYSA-N 379.800 2.927 0 40 GFAB COc1cc(OC)cc([C@H](NC(=O)NOCc2ccccc2)c2nccn2C)c1 29728609 YPFZBPBROOFNPP-IBGZPJMESA-N 396.447 2.958 0 40 GFAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290539 NECISVRANGHHJQ-CABCVRRESA-N 380.448 2.888 0 40 GFAB C[C@]1(c2cccs2)NC(=O)N(CC(=O)NC2(c3ccccc3)CCC2)C1=O 53659707 FGZRJXLGXNZELP-LJQANCHMSA-N 383.473 2.711 0 40 GFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1 15698642 GMASPTBCLCIACA-UHFFFAOYSA-N 382.851 2.535 0 40 GFAB CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 7310651 AQBIVQCTHZWEGM-UHFFFAOYSA-N 382.416 2.970 0 40 GFAB COC(=O)c1cccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)c1 101660711 GKOLRBUJMBAZEK-LDSOLPTJSA-N 380.448 2.999 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C)CCc1ccccc1 28198778 XOVYMIHQWUUHCA-CABCVRRESA-N 378.469 2.630 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(NC(C)=O)ccc3OC)CC2=O)cc1 12321371 DWQGKIXSHIYDIB-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1cnn(-c2ccccc2)c1 23956366 JJXLRDKSSHJMRZ-UHFFFAOYSA-N 376.460 2.635 0 40 GFAB COc1cc(C(=O)N2CCN(C(=O)NCc3ccccc3F)CC2)ccc1C 56329285 PNRFCZWBCNZKNM-UHFFFAOYSA-N 385.439 2.810 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2nccs2)c(C)c1C 25966780 TUZVBBRPYJVQGG-UHFFFAOYSA-N 381.523 2.992 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc(Cl)s2)CC1)Nc1ccc(F)cc1 35268868 YTAKFXMAJNHCSM-UHFFFAOYSA-N 381.860 2.937 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)CCn1cnc2ccccc2c1=O 26124229 FREMRWRDCDUCHJ-UHFFFAOYSA-N 380.400 2.741 0 40 GFAB CC(C)c1nnc2c(=O)n(CC(=O)Nc3cccc(F)c3)c3ccccc3n12 57522608 FWHIPSDLODUUCL-UHFFFAOYSA-N 379.395 2.945 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)ccc1Br 12521110 CWESKNCSCQWVJO-UHFFFAOYSA-N 394.254 2.534 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(F)c2)c1=O 44840822 GILLRUBIXCPBRW-CYBMUJFWSA-N 399.422 2.921 0 40 GFAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@@H](C)NC(=O)c3cccs3)C2)CC1 58330982 XOJZTQDRCZLVLE-SJORKVTESA-N 377.554 2.837 0 40 GFAB COc1cccc(C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1OC(F)F 58415846 XTCQOCMYSXFVSY-SECBINFHSA-N 377.347 2.957 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccc(F)c1 7653734 PXMPLARHBPYVEF-UHFFFAOYSA-N 393.436 2.512 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1OCc1ccncc1 36392085 APUQVYIQBQPXJK-QGZVFWFLSA-N 383.448 2.866 0 40 GFAB Cc1cc(N2C[C@H](C(=O)Nc3ncccc3O)CC2=O)ccc1Br 58687261 KPGZOGDRZUYXSJ-LLVKDONJSA-N 390.237 2.850 0 40 GFAB Cc1ccc(/C=C/C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)o1 3361160 DEDQCGXJLCIWTF-MDZDMXLPSA-N 390.823 2.895 0 40 GFAB Cc1ccc(C(=O)C2CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)c(C)c1 48367465 NAALFVYAISISBX-UHFFFAOYSA-N 385.508 2.919 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnc2c(cnn2Cc2ccccc2)c1 12939185 XWIAJNCIRVXRKN-UHFFFAOYSA-N 384.399 2.902 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1cc2cc(F)ccc2[nH]1 13022947 MBPUBQFEOJXLIV-UHFFFAOYSA-N 381.407 2.709 0 40 GFAB Cc1cccc(C(=O)N[C@H](C)C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)c1 13039310 NECSKKAFXADABY-CQSZACIVSA-N 395.411 2.977 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OC)c1 409103755 FOMFVAOOLGKEFF-LICLKQGHSA-N 395.415 2.544 0 40 GFAB CC1CCN([C@@H](C)CNC(=O)CCCNC(=O)OCc2ccccc2)CC1 69923695 GABVGWJAKLBVPW-SFHVURJKSA-N 375.513 2.930 0 40 GFAB O=C(CNC(=O)c1ccccc1F)OCc1cc(Cl)cc2c1OCOC2 8136318 AAMMELAWAOMZRC-UHFFFAOYSA-N 379.771 2.819 0 40 GFAB O=C(COc1ccccc1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 5298182 AEGGBALWKMADTJ-UHFFFAOYSA-N 380.400 2.923 0 40 GFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCCCCC1 22246243 JXFDWQMSMJLBSY-HXUWFJFHSA-N 386.517 2.979 0 40 GFAB O=C(COc1ccc(Br)cc1CO)N1CCc2ccccc2C1 5468291 SHVKTFHBLCNHED-UHFFFAOYSA-N 376.250 2.905 0 40 GFAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3nccs3)n2)c(OC)c1 66006103 YARMMXYHGWBHCU-UHFFFAOYSA-N 377.451 2.676 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 5872756 UAIOCQDXWBMMLR-UHFFFAOYSA-N 392.477 2.940 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 4949869 LQPQGKHBOVJKSY-SNVBAGLBSA-N 388.445 2.523 0 40 GFAB C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCCC2=O)c1 5920055 VSMCVMYHPHOCNC-RDTXWAMCSA-N 379.478 2.918 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 22605817 AYVFIDDKYFKZMI-UHFFFAOYSA-N 389.502 2.910 0 40 GFAB COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871725 PJOBZVUPVBSAAU-UHFFFAOYSA-N 390.461 2.630 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)on1 96005185 KMMFNAJRZURGQT-HNNXBMFYSA-N 377.466 2.845 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cc(N2CCCS2(=O)=O)ccc1Cl 72312424 MABXRVQOLAEGRW-CJNGLKHVSA-N 399.944 2.987 0 40 GFAB O=C(Cc1ccccc1)NCCC(=O)N(CCc1ccccc1)[C@H]1CCOC1 79053662 AEUXNOJMGKMYTD-NRFANRHFSA-N 380.488 2.596 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CC=C(C(F)(F)F)CC2)cc1C 95441553 RPSLHTRLHNJRGU-UHFFFAOYSA-N 390.427 2.693 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)Cn2c1nc1ccccc12 1548338267 XICNCOZNSSDXQY-HNNXBMFYSA-N 378.432 2.674 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2OC)ccc1C 408625741 UCBFKYREJUTIRF-UHFFFAOYSA-N 376.478 2.622 0 40 GFAB COc1ccccc1[C@@H](NC(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1 507184610 WAJYWMLVIRWKBA-NRFANRHFSA-N 379.460 2.801 0 40 GFAB COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1 36293792 XVRJYMMZMYYTEE-QGZVFWFLSA-N 379.434 2.875 0 40 GFAB CCCC(=O)N1CCO[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389016 BFKAZSDYHUQQEG-HSZRJFAPSA-N 395.503 2.777 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@@H]2COc3ccccc3O2)N2CCCC2)cc1 33023386 BPOZJBGPSLROCQ-RXVVDRJESA-N 382.460 2.788 0 40 GFAB O=C(N[C@@]12CC[C@H](OC(=O)c3ccccc3)[C@@H](SC1)[C@@H]2O)c1ccccc1 15108269 KTLCCBNUTRMVBR-NYUBLWNDSA-N 383.469 2.651 0 40 GFAB biogenic O=C(NCc1ccc(Cl)cc1)NCc1ccc(C(=O)N2CCOCC2)cc1 32795567 WFDKJIIDBWPMDQ-UHFFFAOYSA-N 387.867 2.812 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cc3c([nH]c4ccccc43)c(=O)s2)CC1 1565524856 RCTRPFPNANXTHQ-UHFFFAOYSA-N 385.445 2.657 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl 222811610 DXHGFPOROJZKPV-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB COc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2F)cc1 42645863 VOANKCZAFRZLNF-UHFFFAOYSA-N 381.201 2.852 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)C1 222615836 PBAFMUYSDPIZRO-NVXWUHKLSA-N 394.537 2.775 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(SC(C)C)s3)ccc21 225029202 IHAHQCVFZZFVJR-UHFFFAOYSA-N 398.535 2.748 0 40 GFAB C[C@H](C(=O)N1CCCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220480990 PLIVSUNAWYWJSO-CQSZACIVSA-N 376.453 2.960 0 40 GFAB COc1cccc(NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)c1 220060187 MFHGIJTYDZZHDX-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220120443 IYXZTQBCBDEPED-AWEZNQCLSA-N 390.461 2.575 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 223590048 ATCYWAYTIUMSSZ-ZWKOTPCHSA-N 399.907 2.886 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(C(=O)c2ccoc2)CC1 77099723 WAQUQNTWQSOOAZ-UHFFFAOYSA-N 380.441 2.558 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)c1 77198135 YBLXOQBYYHAANP-SNVBAGLBSA-N 391.371 2.665 0 40 GFAB O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NCc1ccccc1Cl 77198093 NWMJCXXIMBBHSN-UHFFFAOYSA-N 382.851 2.881 0 40 GFAB COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5nsnc5c43)c(=O)[nH]c2c1 96232826 ZZUWHPSPFLWSIH-NSHDSACASA-N 379.397 2.982 0 40 GFAB COc1cc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc(OC)c1O 95480016 IQGSVLCBKDGWOV-OAHLLOKOSA-N 379.438 2.904 0 40 GFAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)N2C(=O)c2cnccn2)N1 257333343 YBEVSGXEUOSRCD-ZIFCJYIRSA-N 382.439 2.500 0 40 GFAB Cc1ncsc1CN1CCCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257296560 RDIMPDZYBJJEOC-HNNXBMFYSA-N 384.509 2.923 0 40 GFAB O=C(CN1CC[C@]2(C1)C(=O)Nc1ccccc12)Nc1nc2c(s1)CCCC2 681702329 UUJYFSPWAFVDRI-HXUWFJFHSA-N 382.489 2.556 0 40 GFAB CO[C@@H]1CC[C@H](C(=O)NS(=O)(=O)c2cc(F)c(Br)cc2C)C1 1616042576 FXNIPSPZEDIPSF-VHSXEESVSA-N 394.262 2.517 0 40 GFAB Cc1ccc2c(c1Br)CN(C(=O)N[C@H]1C[C@@H]3CCCCN3C1=O)C2 661298290 AXAWJMGAWMYBQX-ZFWWWQNUSA-N 392.297 2.936 0 40 GFAB CCc1cnc(N2CCN(C(=O)[C@@H](Oc3ccccc3)C(C)(C)O)CC2)s1 669245219 NXWLYBZIDMQVLT-QGZVFWFLSA-N 389.521 2.573 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)c1 585106760 HNVDCKWJOQOYHJ-REWPJTCUSA-N 378.472 2.770 0 40 GFAB O=C1CSc2ccc(C(=O)NCCc3cc(F)cc4c3OCOC4)cc2N1 52900155 NNUBTWSANSYTEF-UHFFFAOYSA-N 388.420 2.709 0 40 GFAB O[C@H]1CCN(Cc2cccnc2)CCCCCc2cc(F)ccc2OC[C@H]1O 1615161387 NFCHCBCKWILLJX-LEWJYISDSA-N 388.483 2.940 0 40 GFAB C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1)c1nnnn1-c1ccccc1 1615551622 MDKJQEMGBJIBDK-LZLYRXPVSA-N 384.484 2.714 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccncc1 6044061 BBAQVDPRVGPPHI-WOJGMQOQSA-N 390.399 2.744 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3sccc3C)CC2)c1 5392603 JHZHMBGQVLSDGI-UHFFFAOYSA-N 378.519 2.820 0 40 GFAB COc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc(OC)n1 11765322 GOIIVNAKAQZWMV-UHFFFAOYSA-N 377.832 2.501 0 40 GFAB COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4[nH]nc5c4C[C@H](C)CC5)C[C@@H]32)c1 12087718 XTVAUHQFSBXWRU-CPMLIZHXSA-N 395.503 2.913 0 40 GFAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)NC4CCCC4)nc3c2c1C 12182037 HUQYOBFSESDBPS-UHFFFAOYSA-N 385.493 2.659 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)Oc1cccc(Cl)c1)C2=O 18023377 QJDMQIJVANMCTN-LASWEOPPSA-N 379.844 2.639 0 40 GFAB C[C@H]1CN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C[C@H](C)O1 19497357 PPGJDRVUFWOPHX-GJZGRUSLSA-N 387.505 2.896 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529797 RJLMGMCXBGHCTN-BIZBXSGISA-N 398.484 2.828 0 40 GFAB Cc1cc(C)n(CCCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)n1 19573968 BZWVJNQLMUHUIV-IBGZPJMESA-N 382.508 2.743 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 19715925 ISLFMJOMRFFDRZ-UHFFFAOYSA-N 388.415 2.556 0 40 GFAB COc1ccccc1-n1c(SCCN2CCOCC2)nc2ccccc2c1=O 19941135 VARKMJDQYRAUNE-UHFFFAOYSA-N 397.500 2.819 0 40 GFAB Cc1ccc2c(C(=O)CN3CCC(O)(Cn4ccnc4C)CC3)c(C)[nH]c2c1 12143469 KLNVPGLVNAJWDF-UHFFFAOYSA-N 380.492 2.999 0 40 GFAB CN1CC2(CCC(C(=O)NCCc3ccncc3)CC2)Oc2ccccc2C1=O 19587835 PWGHLMXKQVIDHO-UHFFFAOYSA-N 393.487 2.834 0 40 GFAB O=C(NC[C@@H](OCCO)c1ccsc1)C1(c2ccccc2)CCOCC1 575621459 ONVWJIBGTARYLG-GOSISDBHSA-N 375.490 2.663 0 40 GFAB Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 5978321 XEMSAZZYDGEBPX-UHFFFAOYSA-N 383.470 2.630 0 40 GFAB CC(C)Oc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)cn1 1888864174 GNRZUHWMWUFNMR-ROUUACIJSA-N 393.491 2.745 0 40 GFAB O=C([C@H]1CCOC1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888910619 DBZIRKOMQKTGBE-KRWDZBQOSA-N 389.459 2.829 0 40 GFAB Cc1nc2ccccc2nc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 32771203 ICZVBDAYXBCTJU-CALCHBBNSA-N 381.524 2.565 0 40 GFAB O=C(Cc1ccccc1F)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775995163 GBDGSHSQHVMPSM-UHFFFAOYSA-N 383.467 2.743 0 40 GFAB COc1cccc(CN2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)c1OC 2037984287 WIIYNXIJTLYSEP-QHCPKHFHSA-N 396.487 2.959 0 40 GFAB Cc1ncc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c(C)n1 2037985691 SDNNWVFNDOLPLV-QFIPXVFZSA-N 394.475 2.522 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2[C@H](OC)OC[C@]2(O)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2O 2048392608 XPKRYPSOFXPZSA-RPVUOXGTSA-N 396.524 2.956 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 5438381 PSAKWVWGELFDTP-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nccnc2-c2ccncc2)cc1Cl 585150643 FVEHPFYLRMITBY-UHFFFAOYSA-N 390.852 2.679 0 40 GFAB Cc1nc2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 585149221 NWBJCOIVZJZSNF-MRXNPFEDSA-N 383.473 2.915 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NCCCN(C)Cc2ccccc2)CC1=O 40013047 VJEZPDGJPZQPRL-LJQANCHMSA-N 395.503 2.686 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 40121596 CHLRWPKAAWENLY-KUHUBIRLSA-N 384.480 2.684 0 40 GFAB COc1ccccc1-n1cnnc1SCCCc1nnnn1-c1ccccc1 40154775 HZDBXQROFUMOHN-UHFFFAOYSA-N 393.476 2.977 0 40 GFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 50530499 MOYMGMBHSXEPJO-UHFFFAOYSA-N 386.260 2.985 0 40 GFAB CCn1ccc(-c2cc(C(=O)NCc3cnn(CC)c3C)c3c(C)noc3n2)n1 36617962 ZECSNKASJRGXHG-UHFFFAOYSA-N 393.451 2.869 0 40 GFAB COc1ccc(C(=O)NCC(=O)Nc2ccccc2Br)c(F)c1 7312213 JFDXQMDNLHOEPG-UHFFFAOYSA-N 381.201 2.965 0 40 GFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(c2ccccc2O)CC1 36892490 RNYIHOIAKJQYHE-SFHVURJKSA-N 387.505 2.557 0 40 GFAB O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1ccccc1 20523274 XSLFLSMJCHAHOX-UHFFFAOYSA-N 375.428 2.876 0 40 GFAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC)CC2=O)cc1 4497864 KFRYSJGZOQZNAQ-OAHLLOKOSA-N 395.459 2.827 0 40 GFAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O 4849270 AXBNEVNDTCWINL-UHFFFAOYSA-N 384.461 2.521 0 40 GFAB COC(=O)c1ccc(OCc2noc(C(=O)N[C@@H](C)c3ccccc3)n2)cc1 20724768 XXVBGWXGKLAESC-ZDUSSCGKSA-N 381.388 2.926 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)=O)cc2)C1=O 6650347 DYSWEWDOZNYGIV-XNTDXEJSSA-N 377.418 2.992 0 40 GFAB COc1ccc(C)cc1NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 6887452 BHTKBWJIKMWUBT-UHFFFAOYSA-N 399.428 2.798 0 40 GFAB CN(C)CC(C)(C)CNC[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 6906536 HTNPAIRIGRDVHR-HXUWFJFHSA-N 384.520 2.835 0 40 GFAB COCc1nn2c(O)cc([C@H]3CC(=O)N(C)C3)nc2c1-c1ccc(Cl)cc1 100775664 LLPSXAGKFKPZMW-LBPRGKRZSA-N 386.839 2.847 0 40 GFAB COC(=O)c1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)c1 102395937 CPNRJVXJHVEZLU-SFHVURJKSA-N 380.400 2.728 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(=O)[nH]c1=O 32843209 ZRYCOPGMQBAICV-HUUCEWRRSA-N 390.528 2.900 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CN2CCCCC2)CC1 100750084 MJZOLIIROKGTRO-JQVVWYNYSA-N 386.540 2.667 0 40 GFAB O=C(NCCc1cccs1)c1ccccc1S(=O)(=O)N1CCCCC1 32988788 HEPJQFZXIQFEJQ-UHFFFAOYSA-N 378.519 2.895 0 40 GFAB COc1ccc(CCNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC 2769709 MLZRZNMTUKCZHN-UHFFFAOYSA-N 390.390 2.965 0 40 GFAB COc1ccc2nc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)sc2c1 102849350 SJNWATXDASAXKP-DRZSPHRISA-N 385.445 2.583 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)c(C)c1 9690598 LCVVBRSUFJFDPA-SFHVURJKSA-N 391.514 2.805 0 40 GFAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3CCOCC3)o2)cc1 22025364 BUOAHHAJDIMPRH-CQSZACIVSA-N 390.509 2.922 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 101347615 QGOXTTHFVIUWDE-NMLBUPMWSA-N 392.430 2.969 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 22645653 PATHMWSBKBJTGV-ZDUSSCGKSA-N 384.461 2.748 0 40 GFAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 994827 UKMSVBGXSLGRQI-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB Cc1ccc(NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)cc1F 21000421 PBFSENJNOPRKLT-AWEZNQCLSA-N 377.441 2.820 0 40 GFAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1CCN(CCO)CC1 109071585 MCBOBGBKEJWYAF-UHFFFAOYSA-N 394.922 2.826 0 40 GFAB CSc1ncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccccc1 10054379 LSJLGRCTFPXBPO-UHFFFAOYSA-N 396.472 2.785 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccc(Cl)c1 3256332 JUTXGENKYJPRSD-CYBMUJFWSA-N 386.835 2.591 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)cc1 12603705 UMOFPRRSVADFCQ-GOSISDBHSA-N 396.834 2.924 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC1CCN(CC(F)F)CC1 58391690 BHDMTHWMGPHNLR-UHFFFAOYSA-N 388.842 2.890 0 40 GFAB Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccccc3F)c(=O)n12 27022903 OPZYMFRESMSETL-PDGQHHTCSA-N 378.428 2.702 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1ccccc1F)C(F)(F)F 2257454 BJNCPDUZCSGPPI-INIZCTEOSA-N 385.317 2.884 0 40 GFAB COc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)cc1 409353709 QAPLHIWCYAYBMF-GOSISDBHSA-N 394.349 2.962 0 40 GFAB O=C(CSc1ccc(F)cc1F)NCc1ccc(N2CCOCC2)nc1 10719668 MPQQWJYLYJPCAC-UHFFFAOYSA-N 379.432 2.605 0 40 GFAB CC(C)Nc1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 3383411 OUXRPWICCCBTHV-JTQLQIEISA-N 380.495 2.884 0 40 GFAB O=C1COc2ccc(NC(=O)c3ccccc3I)cc2N1 12798902 XNGGTNKLHWJDNM-UHFFFAOYSA-N 394.168 2.874 0 40 GFAB COc1ccc(CN(Cc2noc(C(C)(C)C)n2)[C@@H]2CCS(=O)(=O)C2)cc1 48301147 MUIMBRKEBRURIE-OAHLLOKOSA-N 393.509 2.565 0 40 GFAB CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 3468965 FSEJWWSRMHKQAS-UHFFFAOYSA-N 396.472 2.632 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)NCc3ccc(N4CCCC4)nc3)c(C)n2n1 12951952 ROVGBOKRSURCLW-UHFFFAOYSA-N 392.507 2.899 0 40 GFAB COc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc(C)ccc2OC)cc1OC 12984378 KVBYLWQDNSPKKQ-CQSZACIVSA-N 386.448 2.628 0 40 GFAB CCCN(Cn1nc(-c2ccccc2F)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12924393 KXFYVSUWDZLFJD-ZDUSSCGKSA-N 398.529 2.614 0 40 GFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NCCc1cc(F)cc2c1OCOC2 63068411 YNYADFJGDBTUOB-LLVKDONJSA-N 376.432 2.645 0 40 GFAB O=C(COc1cccc2cccnc12)N1CCN(C(=O)c2cccs2)CC1 8006260 HXGSAMDTLSUJHN-UHFFFAOYSA-N 381.457 2.660 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1 8011482 BBJMXSGMVBJNIT-UHFFFAOYSA-N 393.852 2.595 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1C1CCCC1 8133666 RHNHRPIZRCKLTR-LBPRGKRZSA-N 386.481 2.644 0 40 GFAB CN(C(=O)c1cc(-c2cccnc2)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 39969553 HVPHGYNKNWEPIY-HNNXBMFYSA-N 381.457 2.556 0 40 GFAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)c2ccccc2O)CC1 65475647 CUTPAKXPWFADJR-UHFFFAOYSA-N 375.428 2.781 0 40 GFAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C(C)C)c1 14084104 IJHRUTWSYTVLBZ-FQEVSTJZSA-N 396.491 2.620 0 40 GFAB CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 6461794 VLAKGFWEHAFRIK-UHFFFAOYSA-N 384.929 2.999 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 65675063 JFIFVIMJRBVOFI-HZPDHXFCSA-N 387.553 2.779 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)CCNC(=O)Nc1ccc(OC)cc1 14225744 XIWKCRPELXQVRY-UHFFFAOYSA-N 398.463 2.524 0 40 GFAB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN(c2ccccn2)CC1 14241763 UINJRGRXNJPUJA-GOSISDBHSA-N 379.382 2.570 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NC2CC2)S(=O)(=O)c2cccc(C)c2)cc1 6579642 PWXBMMPRUDQSSL-OAHLLOKOSA-N 388.489 2.866 0 40 GFAB CSc1ccccc1NC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1 6510177 QHRPNNXPBWLTGJ-UHFFFAOYSA-N 388.518 2.857 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2SC3=NCCCN3C2=O)cc1 4680752 RUZMDMBAJQHCAF-OAHLLOKOSA-N 389.477 2.676 0 40 GFAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 5537122 MGOLCJAJENSREM-UHFFFAOYSA-N 391.383 2.792 0 40 GFAB O=S1(=O)c2ccccc2O[C@@]2(CCN(CC3CC3)C2)CN1Cc1ccccn1 306126388 DUJBVUYHNVNHAG-OAQYLSRUSA-N 399.516 2.519 0 40 GFAB CCSc1nnc(NC(=O)c2nnn(-c3ccccc3OC)c2C)s1 4938626 MMBMIJBMJTUNLC-UHFFFAOYSA-N 376.467 2.800 0 40 GFAB COc1cccc(-c2noc(Cn3c(S(C)(=O)=O)nc4ccccc43)n2)c1 18380754 ZYAPNUIGRSHQSC-UHFFFAOYSA-N 384.417 2.547 0 40 GFAB CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O 8970299 WDFXRWOELWJQGT-KUHUBIRLSA-N 375.856 2.728 0 40 GFAB COc1ccc(OC[C@H](O)CN2CCN(c3nsc4ccccc34)CC2)cc1 71282532 YCMMFUQEQABNTP-MRXNPFEDSA-N 399.516 2.867 0 40 GFAB CN(C(=O)Cn1c(-c2ccccc2)cc2ccccc21)[C@H]1CCS(=O)(=O)C1 9157754 KDPLSAJFIJJCHI-SFHVURJKSA-N 382.485 2.954 0 40 GFAB CCc1nc2cc(S(=O)(=O)NCCCCN3C[C@H](C)O[C@@H](C)C3)ccc2o1 96007749 PWLSRWOULHZVNZ-GJZGRUSLSA-N 395.525 2.558 0 40 GFAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1O 89920493 XOZBABYOXUVRSL-CBAPKCEASA-N 375.650 2.909 0 40 GFAB CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)Cn1cc(C(F)(F)F)ccc1=O 96999116 WGYIKMSTLHBCDY-OAHLLOKOSA-N 397.349 2.585 0 40 GFAB c1cncc(-c2nnc3n2C[C@H](CSc2nnc4n2CCCCC4)S3)c1 95465683 IQJUAVFADKWOKF-CYBMUJFWSA-N 385.522 2.925 0 40 GFAB CN1CCCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 78958477 XCUDZASYAHVGMZ-MRXNPFEDSA-N 385.961 2.521 0 40 GFAB CC(C)(NS(C)(=O)=O)c1noc(CCSc2ccc(Cl)cc2)n1 95942982 HKGNAQVHZREIKK-UHFFFAOYSA-N 375.903 2.842 0 40 GFAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)NCc1ccco1 408649465 DNKZHJPOBNYMJF-UHFFFAOYSA-N 378.812 2.820 0 40 GFAB CCc1nc2cc(CNC(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)ccc2n1C1CC1 556443651 AXHWFBZKDAFIND-VQTJNVASSA-N 397.523 2.548 0 40 GFAB CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(F)cc2)cc1 39985756 QGAMXULTJUFASD-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 306132127 KZPQLDUQCZQPLZ-INIZCTEOSA-N 379.451 2.566 0 40 GFAB CC(C)CN1CCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)CC1 11838617 WRTQDPLJUZBETH-UHFFFAOYSA-N 384.505 2.717 0 40 GFAB COCCCNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217601504 FWXMDHLCLHYBOQ-CQSZACIVSA-N 392.477 2.873 0 40 GFAB Cc1cc(C)n(CCN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 68783412 JWPLHJHJFXYEDX-UHFFFAOYSA-N 398.532 2.660 0 40 GFAB Cc1nc(N)ncc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362670 BIMQLZMHMVSIIA-HNNXBMFYSA-N 390.447 2.969 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32094802 TZZKLLWBSIXMSZ-LBPRGKRZSA-N 390.369 2.998 0 40 GFAB Fc1ccc(-c2cn3c(n2)CC[C@H](NCc2cnc4cnccn24)C3)c(F)c1 560134169 ILRZEMWJHCWFLV-AWEZNQCLSA-N 380.402 2.976 0 40 GFAB CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)CC1 32779727 VHWFETDWJNWVQO-SFHVURJKSA-N 380.920 2.500 0 40 GFAB CCn1cc(C(=O)N2CCC[C@H](n3nc(-c4ccco4)ccc3=O)C2)c(C)n1 72334920 TXNQSOFSZVMYBP-HNNXBMFYSA-N 381.436 2.505 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349313 OXSFPTRVTMDSPV-MRXNPFEDSA-N 377.485 2.797 0 40 GFAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl 224699556 AJCYVPASHHJONJ-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB COCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 225188165 BHFRCUFAYCEFCL-UHFFFAOYSA-N 386.473 2.933 0 40 GFAB O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44901688 FBIZCZGSPDRBJV-GOSISDBHSA-N 378.538 2.720 0 40 GFAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224799088 MKXHAIYSZMCQFW-UHFFFAOYSA-N 381.450 2.936 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1c2ccccc2C[C@H]1C 222813235 MOIQRCDOWLUODD-OAHLLOKOSA-N 388.489 2.602 0 40 GFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 224317903 YSLOFNLKEZGSLF-GFCCVEGCSA-N 397.478 2.608 0 40 GFAB O=C(NCCSCc1ccco1)c1cccc(N2CCCCS2(=O)=O)c1 222552675 TVULPAYRUQKDGP-UHFFFAOYSA-N 394.518 2.873 0 40 GFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1nccs1 223566134 IDRISAMKCZZPMF-IAGOWNOFSA-N 399.545 2.910 0 40 GFAB CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224794652 FVRWNYONOAKABG-UHFFFAOYSA-N 393.461 2.635 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCc3ccccc3C2)n1 95476706 VXTKUYGMWUCKKU-UHFFFAOYSA-N 375.428 2.504 0 40 GFAB Cc1nc(CN2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)cs1 96242425 WXNINALAKQNDFM-UHFFFAOYSA-N 398.576 2.889 0 40 GFAB CCn1nncc1CNC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 528924395 MRCASDPEHLPHDU-UHFFFAOYSA-N 387.513 2.939 0 40 GFAB CN(C)C(=O)c1sc2nc([C@@H]3CCCN3Cc3cnccn3)ccc2c1N 257344917 ZZFLRWOBJRIUJM-HNNXBMFYSA-N 382.493 2.707 0 40 GFAB COC(=O)c1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 253471485 CYKSTLZEUAYUID-ROUUACIJSA-N 377.400 2.880 0 40 GFAB COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCCC2(CC1)CC2 626565385 SLZVDHOSCVOGKZ-UHFFFAOYSA-N 396.509 2.913 0 40 GFAB O=C(Nc1ccc(F)cn1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 681464283 JXSUKXZMEXTPLM-MRXNPFEDSA-N 378.835 2.757 0 40 GFAB O=C(Nc1ccc(F)cn1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 681464282 JXSUKXZMEXTPLM-INIZCTEOSA-N 378.835 2.757 0 40 GFAB O=S(=O)(NCCn1ccc(-c2ccccn2)n1)c1ccc(C(F)(F)F)cc1 96098928 REESSKFZMWOSDO-UHFFFAOYSA-N 396.394 2.942 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365639 FLCYDSPPKUIMDB-LKUPDRCFSA-N 385.441 2.503 0 40 GFAB O=C(C1CC(O)C1)N1CC[C@@H](OCc2cccnc2)[C@H](Cc2ccccc2)C1 585113428 FXQYEDZRZYGIPH-JYAXOCDNSA-N 380.488 2.829 0 40 GFAB C[C@]1(C(=O)Nc2cccc(OCCn3cncn3)c2)COc2ccccc2O1 585123331 UAJYWSQHHFYONN-HXUWFJFHSA-N 380.404 2.526 0 40 GFAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccc(OC2CSC2)cc1 72324314 WPRLFCSRLASVAQ-CYBMUJFWSA-N 384.457 2.907 0 40 GFAB CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 72334480 PSQUZHHIEVUNFW-GBXCKJPGSA-N 391.515 2.758 0 40 GFAB O=C(c1cccc(Br)c1)N1CCCSC[C@@H]1CN1CCOCC1 90609062 OOPRQDWCBQBYTL-INIZCTEOSA-N 399.354 2.729 0 40 GFAB CO[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)c2cc(F)c(Br)cc2C)C1 1616042572 FXNIPSPZEDIPSF-NXEZZACHSA-N 394.262 2.517 0 40 GFAB O=C(Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O)NC1CCCCC1 12117420 KEXQGJWUYCWBNT-UHFFFAOYSA-N 383.477 2.606 0 40 GFAB Cc1ccnn1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12129392 QRARNTNKSHQRIX-MRXNPFEDSA-N 397.504 2.731 0 40 GFAB Cc1nc2cc([C@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)nn2c(O)c1C 12134316 MNNMEWMKRFNRON-INIZCTEOSA-N 397.479 2.995 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cn(C)nc4C)C3)cc2n1 12258043 UGHDIWIHCKISDW-LBPRGKRZSA-N 392.385 2.728 0 40 GFAB Cc1cc2nc(C3CCN(C(=O)c4cnccn4)CC3)cc(C(F)(F)F)n2n1 13226844 UEOSPDLODLBKMS-UHFFFAOYSA-N 390.369 2.866 0 40 GFAB CCN1CCc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2C1 15880163 WSSIAVPONWOKTF-UHFFFAOYSA-N 377.466 2.799 0 40 GFAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 16084265 GFISQLAVKIGPDI-JTQLQIEISA-N 386.322 2.581 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NC[C@H](c3ccccc3Cl)N(C)C)cnc12 16228075 FWGWLDGCACDVRI-GOSISDBHSA-N 398.894 2.777 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)ncc2C1 19018371 XZBAVNYERHTJQY-INIZCTEOSA-N 382.439 2.540 0 40 GFAB O=C1C[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)CN1Cc1ccccn1 19350107 RHEBJBFZRWQVSY-MRXNPFEDSA-N 397.450 2.639 0 40 GFAB COc1ccccc1CC(=O)N1C[C@@H](c2cccnc2)[C@@]2(CCCCC(=O)N2)C1 19569718 GXWQQBXCZSIKPB-WMZHIEFXSA-N 393.487 2.688 0 40 GFAB CC(=O)NCc1ccc([C@H]2CN(C(=O)CC3CCCC3)C[C@@H]2C(=O)N(C)C)cc1 19698747 ZILAZIFPGRCEQT-RTWAWAEBSA-N 399.535 2.533 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@@H]3CCCN3C)C2)c1 19705537 VEQHKZIQJOPNRT-KRWDZBQOSA-N 383.496 2.553 0 40 GFAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccnc4ccccc24)C3)C1 19711090 SXUAOGUHTWTALP-GOSISDBHSA-N 390.491 2.568 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(N2CCOCC2)cc1 19717328 APECGOHMNQDCOT-UHFFFAOYSA-N 395.503 2.632 0 40 GFAB CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 4415298 QNVRQUZXNLRIRX-ATPAHOSSSA-N 378.428 2.685 0 40 GFAB CNC(=O)[C@@H]1CN(Cc2ccc(C)c(C)c2)C[C@H]1c1ccnc(N2CCCC2)n1 19214029 MWVFRWNWQQEDCM-WOJBJXKFSA-N 393.535 2.655 0 40 GFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O 5630694 LZLMLBUTOCPABR-RNODOKPDSA-N 375.444 2.579 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CN3CCC[C@@H]3c3cccs3)C2=O)cc1 23805623 HGJQNBCARZCBDM-OAHLLOKOSA-N 385.445 2.847 0 40 GFAB Cc1nc(C(=O)NC[C@@H]2CCc3ncc(C(=O)Nc4ccccc4)n32)cs1 1614934683 SFCHYBORXMRTGE-AWEZNQCLSA-N 381.461 2.818 0 40 GFAB O=C(CN1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1)N1CCOCC1 2086988590 LZWIJVRUXUXEOY-UHFFFAOYSA-N 380.492 2.545 0 40 GFAB O=C(Cc1cccs1)NCCn1ncc2c(N3CCCCCC3)ncnc21 11666032 SKPQOYXTUDFYEJ-UHFFFAOYSA-N 384.509 2.627 0 40 GFAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C)c(C)c3)no2)c1=O 38652667 QFRUSOGGTHAMCX-UHFFFAOYSA-N 376.416 2.898 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38731256 INDWERZJHDJCEU-GJZGRUSLSA-N 388.464 2.741 0 40 GFAB O=C(C1=NN(Cc2ccc(F)cc2)c2ccccc2S1(=O)=O)N1CCCC1 49402493 RDSBBMKSESOWRK-UHFFFAOYSA-N 387.436 2.556 0 40 GFAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nc(-c2cnn(C)c2)no1 575414294 CBCVAGPHEZVEOZ-VIFPVBQESA-N 396.234 2.861 0 40 GFAB Cc1cc(C)c(OC[C@@H](O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(C)c1 1323443 KWKRIGZKAKCZPZ-ZCNNSNEGSA-N 382.504 2.633 0 40 GFAB O=C(Nc1ccccc1C(=O)NCc1cccnc1-n1cncn1)c1ccccc1 40108940 MFIFZZPFMRMQFT-UHFFFAOYSA-N 398.426 2.845 0 40 GFAB Cc1c(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cnn1C 40107850 BSERRIWCOMZOAQ-INIZCTEOSA-N 394.397 2.841 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 1324633 PQFLNXCHQSUHRY-UHFFFAOYSA-N 376.434 2.602 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 4968094 NKCBWJHXAIDTFF-UHFFFAOYSA-N 377.400 2.629 0 40 GFAB CCOC(=O)c1sc(NC(=O)CSc2ncn[nH]2)nc1-c1ccccc1 6599584 XKZFVIWTTVMUNI-UHFFFAOYSA-N 389.462 2.836 0 40 GFAB CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CCN(C(C)C)C3 100234043 TXBYNQBBDJPUQI-SFHVURJKSA-N 385.512 2.911 0 40 GFAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(F)c1 32795922 PFMWREVWHHJPGD-UHFFFAOYSA-N 378.407 2.748 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)cc1 8416055 HRNKTTQUMSKCSJ-UHFFFAOYSA-N 398.415 2.764 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)CCc3c[nH]c4ccccc34)cc2N1 2648122 YRNHVKOONUBRHP-UHFFFAOYSA-N 378.384 2.858 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2C)cc1 8729490 HSTZAWJFASHKAF-UHFFFAOYSA-N 396.852 2.887 0 40 GFAB COc1cc(CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)ccc1C 32848055 JIGSCIPMBHSJLM-UHFFFAOYSA-N 378.354 2.924 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cc3c(cc2Cl)NC(=O)C3)c1 32817719 USVKMNIBKWQMOP-UHFFFAOYSA-N 382.825 2.653 0 40 GFAB Cc1c(C(=O)OCc2nnsc2Cl)sc2nc3n(c(=O)c12)CCC3 21604400 SSEPATGVAZOZAK-UHFFFAOYSA-N 382.854 2.575 0 40 GFAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)C1 53121792 WPFWNQYXSRKMEU-QFBILLFUSA-N 379.460 2.642 0 40 GFAB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(C)=O 682722 JCKLXNQHPVRTLU-VGOFMYFVSA-N 381.340 2.694 0 40 GFAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2cccc3ccccc23)CC1 22788332 VCMKOKXBIDEGJZ-GHTZIAJQSA-N 381.520 2.641 0 40 GFAB COC(=O)c1c(NC(=O)Cn2cccc(C(F)(F)F)c2=O)sc(C)c1C 22830111 SASJUSFWPBSLCB-UHFFFAOYSA-N 388.367 2.971 0 40 GFAB C[C@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 59816732 MWPCNQOYOXXVBU-VNHYZAJKSA-N 395.463 2.602 0 40 GFAB C[C@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)Nc1ccc2c(c1)OCCO2 24776122 FPLXAEIAONMRJW-ZDUSSCGKSA-N 381.432 2.789 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C[C@@H](O)COCc2cccs2)CC1 25304760 UTQMCFTYEBXKHV-LJQANCHMSA-N 388.533 2.654 0 40 GFAB CC[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(OC)cc1 25515111 OLXRHIMFPUFPJA-LJQANCHMSA-N 390.505 2.668 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(F)cc1 22335501 GDRQXRHPLQWWST-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB CC(=O)N(C)C1CCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)CC1 107570818 WQVOTXSNNYREQW-UHFFFAOYSA-N 398.507 2.990 0 40 GFAB CCCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1 1917491 KLSQTNYRKKKPBH-UHFFFAOYSA-N 376.463 2.632 0 40 GFAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCc3sccc3[C@H]2CC)C1 44899286 GBAMCBZDSRJRBN-DZGCQCFKSA-N 386.539 2.577 0 40 GFAB O=C(CCN1CCC(C(=O)NCC(F)(F)F)CC1)Nc1cccc(F)c1 27781534 JOKWYMYHWUCDMK-UHFFFAOYSA-N 375.366 2.545 0 40 GFAB COc1ccc2[nH]cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)c(=O)c2c1 44921786 AXDKVSVUHMQBDG-UHFFFAOYSA-N 381.388 2.756 0 40 GFAB O=C(NC[C@@H]1CCCO1)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 10490588 QTMFRKTYLYQLOY-ZWKOTPCHSA-N 395.488 2.791 0 40 GFAB NS(=O)(=O)N1CCc2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc21 58551584 QHZGPWZIPJWZOM-UHFFFAOYSA-N 391.518 2.835 0 40 GFAB COCCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc12 2331384 SCKMECWIPMLJRH-UHFFFAOYSA-N 394.353 2.800 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1C 10833691 SMYQMGXRYKCICO-QGZVFWFLSA-N 376.478 2.524 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CC[C@H]1N=C(O)N(Cc2ccco2)C1=O 36593248 AUGCXNDYWSFADM-MAUKXSAKSA-N 383.448 2.822 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 12623109 LDNUWIFBPZRHPL-GOSISDBHSA-N 391.514 2.805 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 12697594 AJKIASKACWTWNX-UHFFFAOYSA-N 383.400 2.856 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)NCCSCc2cccs2)cc(C)c1C 12888687 KZQGXMMURRLYRI-UHFFFAOYSA-N 398.575 2.936 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc(CNC(N)=O)cc1)O[C@H](C)C2 12928062 ZABBWVLOZUXJHJ-CYBMUJFWSA-N 383.448 2.507 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1sccc1C(N)=O 8311571 UHSQCKSTCNXYFR-UHFFFAOYSA-N 397.504 2.720 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1)NCc1ccccc1 13001952 PUFRDBOVGLAGLV-UHFFFAOYSA-N 391.515 2.640 0 40 GFAB CCOc1ccc(NC(=O)CCCNC(=O)N2CC(=O)Nc3ccccc32)cc1 13569497 AURKZAQUEQIUPA-UHFFFAOYSA-N 396.447 2.972 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13687121 UVXCJNOMRDZANZ-UHFFFAOYSA-N 399.472 2.811 0 40 GFAB COc1ccccc1N1CCN(C(=O)C[C@@H](NC(C)=O)c2cccs2)CC1 14049706 NEILSOBEJHMCTJ-MRXNPFEDSA-N 387.505 2.673 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 8724200 ZQOAOPNEKVBCHT-DHZHZOJOSA-N 390.461 2.606 0 40 GFAB CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14199530 DXOJRGKYRCZKBP-VLIAUNLRSA-N 377.460 2.924 0 40 GFAB CCOc1ccccc1N1C(=O)C(=O)N(CN2CCC[C@H](C(F)(F)F)C2)C1=O 14200344 ZAUUVSGDHFJVHA-LBPRGKRZSA-N 399.369 2.612 0 40 GFAB Brc1cc2c(cc1COc1cccc(-n3cnnn3)c1)OCCO2 14342188 QBLRJHOUIQMKNR-UHFFFAOYSA-N 389.209 2.775 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 14322867 BABZVUDRJVXCMR-MRXNPFEDSA-N 376.478 2.524 0 40 GFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 6760824 RYXIGMKKNFAVNZ-UHFFFAOYSA-N 389.433 2.575 0 40 GFAB CCCn1c(SCC(=O)Nc2ccc(Br)cc2F)n[nH]c1=O 6888254 DYGRQWNPUJZGJH-UHFFFAOYSA-N 389.250 2.614 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)CCOc1ccc(Cl)cc1 5937012 QNLKXPJKQJLFDB-FQEVSTJZSA-N 388.895 2.967 0 40 GFAB COc1ccc(-c2cc3c(=O)n(Cc4c(C)noc4C)ccn3n2)cc1OC 67260817 DBTLTAGCFMELSD-UHFFFAOYSA-N 380.404 2.833 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)N1CCc2ccccc2C1 7360725 BCIBXCRFZIOANU-UHFFFAOYSA-N 381.476 2.541 0 40 GFAB CCN(Cc1nonc1C)C(=O)c1ccn(COc2ccccc2Cl)n1 28235910 VZAAGJMFFDUIMA-UHFFFAOYSA-N 375.816 2.927 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 9690043 NPKUYKVJGSDGNM-UHFFFAOYSA-N 399.834 2.549 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2cccnc2)CC1 9367787 LCTNPXDFOMYKMV-UHFFFAOYSA-N 381.432 2.620 0 40 GFAB CC(=O)c1cc(C(=O)N[C@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1 117197800 GMBPVBVTPBWIKC-LLVKDONJSA-N 396.838 2.819 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1 408530311 KEIHNTPIURSWDL-UHFFFAOYSA-N 396.896 2.724 0 40 GFAB C[S@](=O)c1c(Cl)cccc1NC(=O)CCn1ncc(=O)c2ccccc21 72310018 HEAIENBKGQYPMJ-AREMUKBSSA-N 389.864 2.816 0 40 GFAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)co1 72404285 SMRUZHFBFPJWJN-UHFFFAOYSA-N 386.385 2.818 0 40 GFAB CNC(=O)c1cccc(CNC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 95953701 XTKSLSQEQIMBMG-FQEVSTJZSA-N 399.466 2.841 0 40 GFAB Cc1cc(-c2csc(NC(=O)c3ccc(CNS(C)(=O)=O)o3)n2)c(C)o1 95964577 OIDRRYCERCNTBK-UHFFFAOYSA-N 395.462 2.914 0 40 GFAB CCn1c(C)c(/C=c2\sc3nc(C)c(C)c(=O)n3c2=O)c2cc(C)ccc21 409039442 RARKZQLGBGPFEF-ZDLGFXPLSA-N 379.485 2.872 0 40 GFAB CCc1nc2cc(CNC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)ccc2n1C1CC1 556443647 AXHWFBZKDAFIND-PMACEKPBSA-N 397.523 2.548 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339118 XIQNBFWWRVWDLR-WQLIQUDQSA-N 394.475 2.930 0 40 GFAB O=C(NCc1ccco1)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 35876617 JGWQRJGLHWYDOH-MYKUNDNFSA-N 395.503 2.533 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1C 36634027 GCFGHGCBNPUAFO-NRFANRHFSA-N 377.488 2.753 0 40 GFAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218097400 MDNFTNZDUVDPFZ-UFYCRDLUSA-N 375.490 2.617 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3OC)n2)cc1 219505750 RTJJIKHCDSIGKF-ZDUSSCGKSA-N 383.404 2.838 0 40 GFAB CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)ncn1 72377641 KJINJSACFMMLRY-MRXNPFEDSA-N 376.468 2.827 0 40 GFAB CCCCOc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1 224154838 VZJBKGJTRRBIMP-UHFFFAOYSA-N 390.509 2.734 0 40 GFAB COc1ccccc1NC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 225768494 QHAIRMCFJBFHCV-UHFFFAOYSA-N 375.450 2.540 0 40 GFAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NCCCOC(C)C)cc1 222986932 OQEICWANGPASHZ-KRWDZBQOSA-N 378.513 3.000 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1C 222736106 NRIAHAZELSOVRO-ZDUSSCGKSA-N 391.445 2.592 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CSCc2ccc(F)cc2)s1 223842902 RFVGZBVJNYQIIZ-UHFFFAOYSA-N 387.483 2.814 0 40 GFAB CC(C)(C)C(=O)c1cc(C(=O)O)c(=O)n(-c2cccc(Br)c2)n1 225968138 AHWHTGQVDJWUHE-UHFFFAOYSA-N 379.210 2.922 0 40 GFAB CC1(C)CCCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 44919023 AZDAWVHWHKYBLS-OAHLLOKOSA-N 386.901 2.516 0 40 GFAB CN(CCCC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccccc1 222876855 ZFDUXAXJFCLCTD-UHFFFAOYSA-N 384.567 2.879 0 40 GFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 40428064 BTCFYBGAGRFWHK-SFHVURJKSA-N 381.451 2.523 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCOc2cccc3ccccc23)c1 223571880 ZNNALKRZTVEVHL-UHFFFAOYSA-N 385.441 2.984 0 40 GFAB CN(c1ccc(CC(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 225986549 JYKKWYLXUOZROF-UHFFFAOYSA-N 378.881 2.986 0 40 GFAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 222850103 CRMCASRDGDTNGK-UHFFFAOYSA-N 390.505 2.978 0 40 GFAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc2N1Cc1ccccc1 96111615 OMTZATYCLVVHCT-WMZOPIPTSA-N 389.411 2.884 0 40 GFAB biogenic,in-vitro CC(C)n1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O 95478683 JIHDWIUNPRRAQS-UHFFFAOYSA-N 375.432 2.598 0 40 GFAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1 96087247 LHNGGLOJSLCTEN-QGZVFWFLSA-N 375.444 2.897 0 40 GFAB Cc1nc2cc([C@@H]3CCCN3CC3CC3)nn2c(O)c1CCC(=O)N1CCCC1 257254844 KEXNKOZASDJFQP-IBGZPJMESA-N 397.523 2.845 0 40 GFAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)o2)c1 257301948 SASGQXBJDZMLLL-KRWDZBQOSA-N 397.475 2.602 0 40 GFAB COc1cc(/C=C/C(=O)NC[C@]2(O)CCc3ccccc3C2)cc(OC)c1OC 90611508 WOSNVARJBJMRGZ-YVSHKSEASA-N 397.471 2.762 0 40 GFAB CN1CCO[C@H](C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 618238028 OWUCKLBVNYPRAT-FUHWJXTLSA-N 386.414 2.839 0 40 GFAB COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 634096327 UMVJMYPINAVSEU-PKOBYXMFSA-N 384.480 2.909 0 40 GFAB CN1CCN(Cc2ccccc2)[C@H](CNC(=O)Nc2cccc3nccnc23)C1 1674311844 FYOCEKTUVAWFQJ-GOSISDBHSA-N 390.491 2.568 0 40 GFAB O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N1CCC[C@@H](c2nc3ccccc3o2)C1 654637508 KYQOQWPUYUDBPJ-CZUORRHYSA-N 396.451 2.887 0 40 GFAB c1ccc(Cn2cc(CN3CCOC4(CNC4)C3)c(-c3cccs3)n2)cc1 663511263 CELMFZGSGBMWBB-UHFFFAOYSA-N 380.517 2.834 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CC(Oc2nc3c(F)cccc3s2)C1 90593965 KMKPXIGYAIYKBC-UHFFFAOYSA-N 399.403 2.633 0 40 GFAB Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21 96096543 WYZNXUMCNSNSRA-KRWDZBQOSA-N 389.814 2.759 0 40 GFAB O=C(c1ccc(Cl)s1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390832341 YTIKBQDXAQSPHI-UHFFFAOYSA-N 390.852 2.689 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)cc12 55395314 MHTZOGHZTSCMFC-KRWDZBQOSA-N 383.427 2.809 0 40 GFAB O=C(Cn1ccnc1)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347957 VEGDRXRXLFSUDL-ZDUSSCGKSA-N 378.358 2.510 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 5030237 AAQVKHQVULCETJ-GOSISDBHSA-N 384.388 2.622 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)Cn3ccnc3C)C2)n1 12115924 OBPZMKPLUNVMIC-GOSISDBHSA-N 376.464 2.758 0 40 GFAB Cc1cc(C)c2cc(C)c3nn(CC(=O)Nc4c(C)nn(C)c4C)c(=O)n3c2c1 12181220 LSJQYNOJLDLWGI-UHFFFAOYSA-N 392.463 2.564 0 40 GFAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 13278370 KKSDIBSTMSPXEE-UHFFFAOYSA-N 382.235 2.899 0 40 GFAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 16755858 PMZVKDKDSQUXCS-UHFFFAOYSA-N 397.508 2.631 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nnc(-c2cccnc2)o1 19341393 IAOKBUBNXRHDNV-HNNXBMFYSA-N 392.387 2.936 0 40 GFAB CCOc1cc(CN2CCc3nc4ccsc4c(=O)n3CC2)ccc1OC 19532117 TWWPRZKEDUFKFZ-UHFFFAOYSA-N 385.489 2.924 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)c1 19710996 XRGVXBPEKKQLJD-QGZVFWFLSA-N 397.523 2.596 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc21 19936532 VWFQHVOJAFFJIC-UHFFFAOYSA-N 387.244 2.917 0 40 GFAB CSc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 19936667 JNKHCVKNOQNWLS-NSHDSACASA-N 378.475 2.893 0 40 GFAB Cc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c2ccncc2n1 1888859214 AIEGQXBMELANQP-UHFFFAOYSA-N 375.423 2.807 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4cn(C)cn4)C[C@H]3C2)nc2ccccc21 1888890847 CPIBKBXIKGVMPA-IYBDPMFKSA-N 378.480 2.559 0 40 GFAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)Nc5ccccc5C)C[C@H]4C3)nn12 1888922096 UFZIQTTVBGHIMV-HZPDHXFCSA-N 391.479 2.595 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889205346 KOKGRAKOZBLLLG-HOCLYGCPSA-N 377.897 2.943 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238887839 QHBPPEMXHGMEON-SJORKVTESA-N 377.400 2.751 0 40 GFAB COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 4784528 KTHSKMOQYJGRSR-UHFFFAOYSA-N 380.535 2.947 0 40 GFAB Nn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(F)cc1F 4727603 MNBKFWPKZSIZTQ-UHFFFAOYSA-N 376.388 2.824 0 40 GFAB COc1cc(NC(=O)CCCn2nc(-c3ccco3)ccc2=O)cc(OC)c1 11695849 JTDWKOIFLYKMFY-UHFFFAOYSA-N 383.404 2.939 0 40 GFAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)NCc1ccco1 35562098 UJZGRUIGVZUUFX-UHFFFAOYSA-N 394.362 2.614 0 40 GFAB O=C(C[C@H]1CSc2nccc(=O)n21)OCc1cc(-c2ccccc2F)on1 38767422 NIGIHKVELJSFKM-LBPRGKRZSA-N 387.392 2.818 0 40 GFAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1cc(-c2cccs2)on1 38753923 ZHSBLRVZMWDUHL-LBPRGKRZSA-N 388.474 2.622 0 40 GFAB FC(F)(F)c1cccc(OCC2CCN(Cc3nnc4n3CCC4)CC2)n1 585532450 RQJMJPBUDSZBRB-UHFFFAOYSA-N 381.402 2.929 0 40 GFAB O=C(Cc1ccsc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575612016 IFUYLYJLNQQFRC-CYBMUJFWSA-N 382.283 2.913 0 40 GFAB O=C(CCCOc1cccc(F)c1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19294272 PQEJOLKUEJRXHD-INIZCTEOSA-N 398.482 2.827 0 40 GFAB Cc1ccccc1Oc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 12320926 WQEGAULJDVTULD-UHFFFAOYSA-N 376.416 2.583 0 40 GFAB C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 40040305 ITXPOAALGLATAL-KGLIPLIRSA-N 391.466 2.777 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCC(C)C)cc1Cl 20068937 HQLCXLFTJRMCIL-HUUCEWRRSA-N 395.916 2.780 0 40 GFAB COc1cccc(C2=NO[C@@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c1OC 40267174 LKENLMVMXBESEI-HXUWFJFHSA-N 384.363 2.670 0 40 GFAB Cc1ccc([C@@H]2NC(=O)N[C@@H](c3ccc(C)cc3)C23C(=O)NC(=O)N=C3O)cc1 17086898 LLJSRJURUFTWMF-HOTGVXAUSA-N 392.415 2.591 0 40 GFAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1363257 DBKSWKIWIVGNMW-INIZCTEOSA-N 376.453 2.543 0 40 GFAB COc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3)c(=O)c2cc1OC 1365074 HDPFIEJFBOPQSA-UHFFFAOYSA-N 381.432 2.996 0 40 GFAB Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)c1C 4875889 UFDXDNHACFPLIC-UHFFFAOYSA-N 397.475 2.718 0 40 GFAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 6613604 PQNDIZQMRLNNIU-UHFFFAOYSA-N 396.516 2.790 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@@H]1CCCC[C@H]1C 7431090 HNXODKMWKDVLFE-CKEIUWERSA-N 397.475 2.583 0 40 GFAB COc1ccc(C(=O)[C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1OC 20722518 CZANTYUKVSGQKH-CYBMUJFWSA-N 393.403 2.946 0 40 GFAB COc1ccccc1C(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 8072686 KCJLVKNBIGDZRU-QGZVFWFLSA-N 381.428 2.512 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2NC1=O 32772845 DSDYEPUZPWGKHP-LBPRGKRZSA-N 378.388 2.528 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2cccs2)cc1OC 2611958 KQVBFAXFEVFYEX-SOFGYWHQSA-N 375.446 2.681 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCSC2=O)cc1 32787462 SRRARUSEJWOMLP-UHFFFAOYSA-N 399.538 2.605 0 40 GFAB CCOc1ccccc1CCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 9691592 YMBHCAKAQLRMQW-AWEZNQCLSA-N 376.478 2.543 0 40 GFAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 32987853 KHVFRKMANRQPNW-MRXNPFEDSA-N 388.489 2.541 0 40 GFAB CC(C)CC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849447 FWBJUKMOCLGFEA-UHFFFAOYSA-N 399.886 2.559 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1c(F)cccc1Cl 102624882 NIVDCOBGQXXLOZ-JHNDHUHGSA-N 389.814 2.699 0 40 GFAB Cc1ncccc1C(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100145682 ASTSTDGWXDNVRF-QZTJIDSGSA-N 376.460 2.938 0 40 GFAB O=C(NCc1cccc(N2CCCC2=O)c1)C1CCN(CC(F)(F)F)CC1 53055045 VUZQCHXJHCPLIF-UHFFFAOYSA-N 383.414 2.704 0 40 GFAB CCOc1ccc(Br)c([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)c1 684103 UQWUAIWZGSUAIQ-CQSZACIVSA-N 383.242 2.991 0 40 GFAB O=C(c1nc(-c2cccnc2)no1)N1CCC(O)(c2ccc(Cl)cc2)CC1 12389176 VVHFUCUONQYSTK-UHFFFAOYSA-N 384.823 2.909 0 40 GFAB CN(C)CC(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 100753408 XHKDLNGKYJKCCU-CRAIPNDOSA-N 379.439 2.685 0 40 GFAB Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)N5CCN(CCO)CC5)(C4)C2)C3)cc1 100318540 GNUDEVGDKFGKOL-CSKPTYFESA-N 397.563 2.905 0 40 GFAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 12562888 FCKRPEQOPGRENS-UHFFFAOYSA-N 375.494 2.995 0 40 GFAB O=C(c1ccn(-c2ccccc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 106125763 SDGMFEYAPVPEIR-UHFFFAOYSA-N 387.443 2.993 0 40 GFAB Cn1c(N2CCN(Cc3ccccc3)CC2)nc2sc3c(c2c1=O)CCC3 61966175 BNOQGGBTEXLVMV-UHFFFAOYSA-N 380.517 2.806 0 40 GFAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 3235020 JWFDQAYFJMOZMX-UHFFFAOYSA-N 395.333 2.836 0 40 GFAB NC(=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 10771464 QFVORCXNIOGYSG-UHFFFAOYSA-N 380.444 2.799 0 40 GFAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(F)c(Cl)c1 35598220 UHZJTUITORTMIE-OAHLLOKOSA-N 375.787 2.949 0 40 GFAB CCCCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C)sc3n2)s1 20983429 JCGQGRKARAPOTJ-UHFFFAOYSA-N 396.523 2.732 0 40 GFAB O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 58008102 JEHMPNJCTQVGOL-KBPBESRZSA-N 388.855 2.565 0 40 GFAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cn(C)nc3-c3ccncc3)CC2)C1 58016510 TVSTYHIPZXIRFM-MRXNPFEDSA-N 395.507 2.593 0 40 GFAB CC(=O)N(C)c1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1 58178450 SREWNSQRMSSMFR-UHFFFAOYSA-N 376.416 2.776 0 40 GFAB C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)N(C)c1ccccc1 3384603 JIRTZAXKEYXDKB-GFCCVEGCSA-N 395.864 2.952 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 12801582 PTSSZVSZAFGRPC-GOSISDBHSA-N 376.522 2.999 0 40 GFAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCN(Cc2ccccc2)CC1 12939112 OYHIOKSRRJSZIT-HXUWFJFHSA-N 377.488 2.922 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc2c(c1)CCC2 12981894 NLHFXGTVHTXPBW-UHFFFAOYSA-N 386.473 2.877 0 40 GFAB Cc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1Cl 4275608 ZZEXILUHBFSHFY-HNLJFRNMSA-N 397.855 2.983 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1F 6129456 DSJATOBHQOBMAE-KRWDZBQOSA-N 398.463 2.815 0 40 GFAB COc1ccc(OC)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1 6111281 HTSRBYLHUNXVIM-UHFFFAOYSA-N 385.445 2.603 0 40 GFAB Cc1ccc(NC(=O)CN2CCSC2=O)cc1I 5108886 RZTTYYGZYJSZNP-UHFFFAOYSA-N 376.219 2.707 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1C 4319522 ZMQOTAATDUEIDU-JKXDFHQYSA-N 389.448 2.928 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1Cl 13943499 ZDAYPMHEJHHBKH-ZDUSSCGKSA-N 388.917 2.808 0 40 GFAB COc1cccc(-c2cnc3n2C[C@]2(CCN(C(=O)c4ccco4)C2)OC3)c1 306140423 UTHPAQPRXREVDA-OAQYLSRUSA-N 379.416 2.967 0 40 GFAB Cc1ccc2cccc(Oc3ccc(S(=O)(=O)N4CCOCC4)cn3)c2n1 5688937 WUIDRCKUAFHREK-UHFFFAOYSA-N 385.445 2.751 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 15317802 KMTRLBYEFJDPLL-UHFFFAOYSA-N 378.432 2.517 0 40 GFAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)NCc1cc(C)c(O)c(C)c1 7814834 YVZPWNMYWMFVLL-HHHXNRCGSA-N 389.473 2.610 0 40 GFAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(Cl)cc1 8036629 DAAWHYHXTFKZSI-ZDUSSCGKSA-N 394.903 2.757 0 40 GFAB CCOc1cc(/C=C/C(=O)NCCC(=O)O)cc(Br)c1OCC 62715252 MEVIMLDXAKATKZ-AATRIKPKSA-N 386.242 2.851 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CCN3CCCc4ccccc43)CC2)C1 84686241 FOSOKNYYGJZVFB-OYRHEFFESA-N 398.595 2.561 0 40 GFAB COCCn1c(C(=O)NCCCc2nnc3ccccn23)cc2ccccc21 95476733 QBAXVVWFBWJZIF-UHFFFAOYSA-N 377.448 2.693 0 40 GFAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1 95950331 WAVSVZUCOFZKHM-UHFFFAOYSA-N 378.398 2.539 0 40 GFAB COc1ccccc1CNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408612750 YPCZUBQSEQJQKS-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB Cc1cccc(CN2CC[C@@H](NC(=O)CCn3cc(Br)cn3)C2)c1 1557759943 CGXNZVNHPOJENZ-QGZVFWFLSA-N 391.313 2.735 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C1=NN(c2ccccc2)C(=O)CC1 32910812 UKPQPLKFCIELAZ-ZMSDIMECSA-N 385.464 2.796 0 40 GFAB CN1CCN(Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 306136070 PIINKIFYYWIQIF-NRFANRHFSA-N 385.475 2.675 0 40 GFAB CC(=O)O[C@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1 72332794 BNYMWYFDNNGEAG-ZKXLYKBJSA-N 382.453 2.795 0 40 GFAB Cc1onc(-c2ccncc2)c1C(=O)N1CCC(O)(c2cccnc2F)CC1 72340055 ZIXJKRVZUWKDCF-UHFFFAOYSA-N 382.395 2.703 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349306 BLTMGLKLOUYSMR-INIZCTEOSA-N 377.485 2.797 0 40 GFAB O=[P@@](c1ccccc1)([C@H](c1ccco1)N1CCOCC1)N1CCOCC1 30836233 ATLKJXCPAIJKLY-BCHFMIIMSA-N 376.393 2.546 0 40 GFAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCO)CN2c1ccc(F)cc1 38829930 YNDLZGZOHPJXQH-UHFFFAOYSA-N 394.450 2.643 0 40 GFAB O=C(Nc1csc(-c2ccccn2)n1)N1CCC2(CCC2)S(=O)(=O)CC1 561130684 NLCJYWHYJCJFGJ-UHFFFAOYSA-N 392.506 2.780 0 40 GFAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 72346130 TVEGRGLFMLIOKE-QGZVFWFLSA-N 395.507 2.536 0 40 GFAB CCOc1ccccc1-n1ccn(Cc2nc(-c3cccs3)no2)c(=O)c1=O 49407798 OYWSUSLUTKRIHV-UHFFFAOYSA-N 396.428 2.558 0 40 GFAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccc(C(F)(F)F)cc1)C2 514288522 BWRFWQYZPZEDSQ-RTBURBONSA-N 397.485 2.667 0 40 GFAB biogenic,in-vitro CCOC(=O)c1cc(NC(=S)NCCCN2CCOCC2)ccc1Cl 225585887 NXNQHNSXDLKKBS-UHFFFAOYSA-N 385.917 2.525 0 40 GFAB COc1ccc(-c2nn(CCCC(=O)N3CCCCC3)c(=O)cc2OC)cc1 96100942 YEDQNFIABNLJJV-UHFFFAOYSA-N 385.464 2.720 0 40 GFAB COc1ccc(-c2nn(CCCC(=O)Nc3cc(C)on3)c(=O)cc2OC)cc1 96100924 SHFQMFXNBIDNLK-UHFFFAOYSA-N 398.419 2.643 0 40 GFAB COc1ccccc1CNC(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 90609669 GASBSFMRCAODNE-AWEZNQCLSA-N 387.505 2.588 0 40 GFAB O=C1N(Cc2ccccc2)CC12CCN(S(=O)(=O)Cc1ccccc1)CC2 96202905 HOYJBWUCPIZBQP-UHFFFAOYSA-N 384.501 2.641 0 40 GFAB Cc1ccc([C@H]2[C@H](C(=O)Nc3c(C)nn(C(C)C)c3C)OCC(=O)N2C)cc1 96181426 MFBOJMIDGQQCFA-VQTJNVASSA-N 384.480 2.926 0 40 GFAB COc1ccc(CCc2n[nH]c(NC(=O)c3nc(C)sc3C)n2)cc1OC 95475185 YWHXCINAMONSFO-UHFFFAOYSA-N 387.465 2.933 0 40 GFAB COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CNC(C)=O)C3)c2)cc1 257282302 OTFRARFRYHFAGB-QGZVFWFLSA-N 396.491 2.984 0 40 GFAB Cn1ccnc1-c1cc(C[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)ncn1 257320433 VWUDCXLOVFUUER-ZDUSSCGKSA-N 383.402 2.860 0 40 GFAB O=C(O)CCCC(=O)N1C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]2CNCC[C@H]21 257316245 VETUVOHYKYPTAP-BZUAXINKSA-N 384.398 2.864 0 40 GFAB CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccc(OC)cc21)n1cnnn1 604419667 QSCDQLGVGFOIAN-KHDYIWLOSA-N 382.468 2.944 0 40 GFAB Cn1cc([C@@H]2[C@@H](CNCc3n[nH]c4ccccc34)CC(=O)N2C(C)(C)C)cn1 657517945 OGTNMCJQPDRMPC-VLIAUNLRSA-N 380.496 2.774 0 40 GFAB CN1CCN(Cc2ccccc2-c2ccc(Oc3nccn(C)c3=O)cc2)CC1 665190543 PMDDVRKIHXGUFQ-UHFFFAOYSA-N 390.487 2.987 0 40 GFAB CCn1nc(C(=O)NCc2cccc(CN3CCCC3)c2)c(=O)c2ccccc21 605295784 AUHHBRXEULUZOG-UHFFFAOYSA-N 390.487 2.942 0 40 GFAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96366744 KOYDQVMEXSYOSC-INIZCTEOSA-N 397.452 2.872 0 40 GFAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cn(C)c4ccccc24)C3)n1 575404396 NIHHJSKTYDSQCX-MRXNPFEDSA-N 392.459 2.729 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575402474 ATTBNAYHZURPNH-KRWDZBQOSA-N 385.464 2.921 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3C)no2)c1=O 823024294 SPGMNSYZXIEORB-UHFFFAOYSA-N 376.416 2.980 0 40 GFAB Cc1ncc(-c2ccncc2)c(CN(C)C(=O)Cc2ccc3c(c2)OCO3)n1 12088866 VFXCVIUINUVZLG-UHFFFAOYSA-N 376.416 2.777 0 40 GFAB CCOc1ccc(CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)cc1 12145234 SAQNRTXXBSMORK-UHFFFAOYSA-N 392.459 2.596 0 40 GFAB NC(=O)c1cc(N2CCCCC2)ccc1NS(=O)(=O)c1ccc(F)cc1 12520897 YPQGAPKFALKXOO-UHFFFAOYSA-N 377.441 2.716 0 40 GFAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CCCN1CCCC1=O 19589212 GNTIVKJSXMGBLO-WOIUINJBSA-N 387.499 2.617 0 40 GFAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4cc(CN(C)C)n(C)n4)C3)cc12 19709047 LAOPSSKGFUWIBD-OAHLLOKOSA-N 395.507 2.991 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccccc3)C2=O)o1 6228895 OYAUBZFBQGAJSI-ATVHPVEESA-N 391.383 2.950 0 40 GFAB Cc1cc2ncc3c(n2n1)CCN(C(=O)C1(c2ccccc2)CCOCC1)C3 208035347 WHPFPVFZOJAVLM-UHFFFAOYSA-N 376.460 2.671 0 40 GFAB CC(=O)OC[C@]1(CC(=O)N2CCCC2)CCCN1C(=O)/C=C/c1ccccc1 643587213 YNFXPTYHXXEYCJ-NELJVSICSA-N 384.476 2.637 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)c(OC)n1 247821403 DEDQMFBQGVDKFA-RRMPHLOHSA-N 387.455 2.753 0 40 GFAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2 19341615 MZMLVGZHWFIQPO-UHFFFAOYSA-N 384.443 2.576 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995081 AKYFICDDEMTCQZ-NSHDSACASA-N 397.298 2.935 0 40 GFAB COc1ccc(C)cc1NC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479721 RMRZJAFKVAGMMT-AWEZNQCLSA-N 397.431 2.702 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 8896597 WLFAVCYAZBBWCG-KRWDZBQOSA-N 395.550 2.924 0 40 GFAB COc1ccc(OC)c2c1s/c(=N\C(=O)[C@@H]1COc3ccccc3O1)n2C 13878764 NADDGFDQMXLWOV-DNTCVELPSA-N 386.429 2.524 0 40 GFAB CCN1CCN([C@@H](c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1 22458967 UFBMLJQSQCEAMJ-HNNXBMFYSA-N 375.473 2.671 0 40 GFAB Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)c2c(F)cccc2F)c1=O 36685896 JZMZLVZRKOXYOL-UHFFFAOYSA-N 389.402 2.932 0 40 GFAB Cc1ccccc1[C@@H](CC(=O)N(C)Cc1ccc2c(c1)OCCO2)NC(N)=O 40069604 MFNHQOAOPVTECN-QGZVFWFLSA-N 383.448 2.524 0 40 GFAB Cc1cccc(OCCNC(=O)NCc2ccccc2CN2CCCC2=O)c1 40067875 FTWPGCHMTLQAFQ-UHFFFAOYSA-N 381.476 2.996 0 40 GFAB COc1cccc(-n2ccnc2SCc2cc(=O)n3nc(C)sc3n2)c1 40119304 ULLYHAQLZNEMOI-UHFFFAOYSA-N 385.474 2.946 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc(C)s3)CC2)cc1 7777550 PUKZZZSDUCKFKY-UHFFFAOYSA-N 379.507 2.799 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)c3ccccc3C)cc(C3CC3)nc21 32079291 QVKHXHHMAISIHX-ZDUSSCGKSA-N 392.459 2.782 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1F 45767948 AIQWNEZOACGZFV-SFHVURJKSA-N 393.422 2.608 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)cc2)n(C)c1 32195356 BRLCRPDNVHMRQX-UHFFFAOYSA-N 377.510 2.636 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885465 MOQSAHOVJOVCIP-KGYLXKDPSA-N 392.455 2.767 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 6454431 VBXWWUZDSDASOB-NSHDSACASA-N 384.404 2.767 0 40 GFAB COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccc(C)cc3N2)cc1 6918497 OKGGHYNDLAEYGO-UHFFFAOYSA-N 391.474 2.846 0 40 GFAB Cc1ccc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C 21119792 BNJMHSPWFKJLLD-FQEVSTJZSA-N 383.473 2.894 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 32781551 JZIPNEKFKBHTSP-OAQYLSRUSA-N 391.471 2.640 0 40 GFAB C[C@@H]1CCCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 32901817 KCDPHGHDCTZFDD-GFCCVEGCSA-N 378.270 2.950 0 40 GFAB COc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 11919173 DBWLDJFHOHFHQO-AWEZNQCLSA-N 381.432 2.531 0 40 GFAB CC(C)OCc1cccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)c1 53800251 ZHSJGDFMZNOABU-UHFFFAOYSA-N 376.403 2.936 0 40 GFAB COc1cc(C(=O)NS(=O)(=O)c2ccc(F)cc2F)ccc1OC(C)C 42253763 VFXVSDPUAODCJR-UHFFFAOYSA-N 385.388 2.879 0 40 GFAB CCc1c(C)sc2nc(S[C@@H]3CCCCNC3=O)n(CCOC)c(=O)c12 12271444 OCQGJISUHKAEFD-CYBMUJFWSA-N 395.550 2.736 0 40 GFAB O=C(N[C@@]12CC[C@H](OC(=O)c3ccccc3)[C@H](SC1)[C@H]2O)c1ccccc1 100468919 KTLCCBNUTRMVBR-UGNRZPKXSA-N 383.469 2.651 0 40 GFAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)OC3CCCC3)c(=O)c12 2887977 BXOMJVLDHLGBFF-UHFFFAOYSA-N 378.450 2.817 0 40 GFAB CCOC(=O)c1sc(NC(=O)N2CCO[C@H](C)C2)c(C(=O)OCC)c1C 24652856 IPHMHWBSPSTFLQ-SNVBAGLBSA-N 384.454 2.663 0 40 GFAB Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3SC3CCCC3)cnc21 25266944 BNRNTYBQMPSVLA-UHFFFAOYSA-N 383.477 2.803 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)c(OC)c1 25323830 YDZGMVKKPBEBGD-NSHDSACASA-N 390.465 2.670 0 40 GFAB C[C@H](CCc1ccco1)NC(=O)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 35277904 YIXMRVHVOLYXCV-FSPWUOQZSA-N 390.480 2.699 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c1 57489989 PTXKIOMBOICFNA-UHFFFAOYSA-N 383.473 2.581 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3occc3C)CC2)c1 58186165 FXMXAIYZWINUNR-UHFFFAOYSA-N 376.478 2.788 0 40 GFAB CCc1ccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 12547967 YRVVCCBMIIKTAV-UHFFFAOYSA-N 381.480 2.657 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 2205034 ABLMTAFPLXZWFF-ZDUSSCGKSA-N 395.242 2.868 0 40 GFAB C[C@@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1nnc2ccccn12 45234235 UMYGWKXRTJZILR-OAHLLOKOSA-N 375.436 2.535 0 40 GFAB Cc1cccc(N(CCCC(=O)NCc2ccccn2)S(C)(=O)=O)c1C 113962034 GQKMVASCUPKESH-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB Cc1cc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c2ccccc2n1 12748379 IWCFOSIQOSBMBS-UHFFFAOYSA-N 394.519 2.704 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(CNC(N)=O)cc2)c1 12765697 WUWYQWPJIZDKAX-SFHVURJKSA-N 383.448 2.849 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 12821278 ZZMWQJGICAVJMP-UHFFFAOYSA-N 399.472 2.839 0 40 GFAB COc1ccc(Br)c(C(=O)OCC(=O)NCc2cccs2)c1 3411754 JKXKLSPIGQRCBX-UHFFFAOYSA-N 384.251 2.992 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1OC 3474121 OFWSCCPFYOLPNG-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCc1c[nH]c2ccccc12 12979683 BAZNPMPUFSRXQZ-UHFFFAOYSA-N 385.489 2.667 0 40 GFAB C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1sccc1C(N)=O 12988878 QGWBYMQOALKJEO-SECBINFHSA-N 379.511 2.817 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)c(C)c3)CC2=O)c1 13016925 RFHJKYYPQJDBOY-OAHLLOKOSA-N 381.432 2.954 0 40 GFAB O=C(Cc1csc(Cc2ccccn2)n1)NCCc1ccc2c(c1)OCO2 49603164 FZVRVLKAMPPHBG-UHFFFAOYSA-N 381.457 2.759 0 40 GFAB C[C@@H](CNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccccc1 4284944 UAYKHNMTGLYODT-HJPURHCSSA-N 391.471 2.690 0 40 GFAB C[C@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@@H](C)O1 65172239 IWDHBSVWICPOAG-SCTDSRPQSA-N 393.487 2.534 0 40 GFAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C 5252612 OUMHURVHNMFTCK-UHFFFAOYSA-N 394.474 2.919 0 40 GFAB CCN(CC)C(=O)CSc1nnc(SCc2ccc(C(N)=O)cc2)s1 14013646 GLUBXEQJTCHDJH-UHFFFAOYSA-N 396.563 2.890 0 40 GFAB OCCNCCSc1nnc(COc2ccccc2F)n1-c1ccccc1 8428511 YNWTVMLFNQOVPP-UHFFFAOYSA-N 388.468 2.659 0 40 GFAB CC1(C)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1=O 14189350 FVRRGQXHQMVZPF-QGZVFWFLSA-N 385.851 2.876 0 40 GFAB COC(=O)c1cc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)ccc1OC 14124753 IEPCWXCNUFSXLC-KRWDZBQOSA-N 375.808 2.755 0 40 GFAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)c2cc(Cl)ccc2n2nncc12 4569866 NWMOJSWWEBWAEP-UHFFFAOYSA-N 395.850 2.746 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc(F)ccc1F 15005202 KNPZKGTUNNGJOH-UHFFFAOYSA-N 383.372 2.539 0 40 GFAB CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3c(C)cc(Br)cc32)N2CCC[C@@H]12 15023079 BBMYCHCIBYQNEH-UVBSCNOISA-N 393.281 2.952 0 40 GFAB O=S(=O)(c1ccc(CNCc2c(F)cccc2Cl)cc1)N1CCOCC1 8750172 WSCISAOVMYEHIR-UHFFFAOYSA-N 398.887 2.790 0 40 GFAB Cc1oc2cc(OCC(=O)NCCCO)ccc2c(=O)c1Oc1ccccc1 8990815 VPOYZSSVGWPZJW-UHFFFAOYSA-N 383.400 2.771 0 40 GFAB COc1ccc2cc([C@H]3CC(O)=Nc4c3c(=O)[nH]n4C(C)C)c(=O)n(C)c2c1 71283801 HUTQSLGAGVYZLE-CYBMUJFWSA-N 382.420 2.741 0 40 GFAB C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C12CC3CC(CC(C3)C1)C2 96116318 HKCZEKGWCBMHBD-VPHCLAJUSA-N 395.503 2.848 0 40 GFAB biogenic COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc3[nH]cnc3c2)CC1=O 96223041 RIANIQADDJTOCL-HNNXBMFYSA-N 378.432 2.601 0 40 GFAB COc1ccc(CN2CC[C@H](NC(=O)CCOc3ccc(C)cc3C)C2=O)cc1 78813763 NZPFWSSXPMTYLL-FQEVSTJZSA-N 396.487 2.998 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)cn1Cc1ccccc1 72304429 UAUYFDZAAAQWLG-HXUWFJFHSA-N 397.475 2.909 0 40 GFAB COCCn1cc(NC(=O)N(Cc2ccccc2F)C2CCOCC2)cn1 72306056 KXAUDBBNFFGRTG-UHFFFAOYSA-N 376.432 2.882 0 40 GFAB C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC12CCC2 95458071 VXCYFXLBGLFPIG-FOIQADDNSA-N 395.503 2.501 0 40 GFAB COc1ccc(C(C)=O)c(OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1 23628247 DATVPXCUDBIYFH-UHFFFAOYSA-N 384.432 2.682 0 40 GFAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC1CCCC1 408710116 OZYYIBLZYUGYEY-UHFFFAOYSA-N 395.459 2.623 0 40 GFAB CC(=O)N1CCn2c(nnc2[C@H]2CCCN2C(=O)c2oc3ccccc3c2C)C1 72372850 CUNDQCLUSHPGDI-MRXNPFEDSA-N 393.447 2.672 0 40 GFAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898115 YVJUVPURECJFHY-BVIHXZOGSA-N 388.489 2.967 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](C(=O)O)c3ccccc3)c(C)c12 6281581 JFMINVBDFYTFLG-HXUWFJFHSA-N 395.411 2.903 0 40 GFAB biogenic O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 39964135 CEARVSORPPHQTH-INIZCTEOSA-N 390.399 2.844 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1cc(N2CCCC2)ncn1 35528073 LIBZDJKFVZYOFP-UHFFFAOYSA-N 386.477 2.984 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 218480761 ABQNVLMROCNAHX-IRFCIJBXSA-N 387.501 2.751 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)COc2cc(OC)cc(OC)c2)cc1 218894597 KDHBVSVAZNQMDC-AWEZNQCLSA-N 375.421 2.675 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2ccccc2)cc1 226046948 JZPXTOCEPRERPO-UHFFFAOYSA-N 376.478 2.759 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225047211 QNYNPDQOSUSZOK-INIZCTEOSA-N 390.505 2.643 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(-c3cccnc3)nc2)cc1OC 225766593 DDZDVMJGWGLZSZ-UHFFFAOYSA-N 385.445 2.639 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3F)C2)c(OC)c1 95945343 LQFVTEGFXXOVNK-QGZVFWFLSA-N 378.425 2.954 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96075130 YEMLPHMLRCBLSJ-VGSWGCGISA-N 396.418 2.974 0 40 GFAB OC[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cccc(O)c2)C1 247856169 JUZMYWCEVVKNGU-CBGDNZLLSA-N 380.492 2.653 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257325572 WTOBKSQUTQMPMC-MRXNPFEDSA-N 380.404 2.834 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cccnn3)C2)ncn1 257306636 SVCMREXMNOLPRW-HNNXBMFYSA-N 378.436 2.633 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2cc[nH]n2)c1 585082038 UHUPXZSXHCQHMZ-INIZCTEOSA-N 396.900 2.727 0 40 GFAB O=C(C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 257248322 JDCZAGKWKXTHSO-PXNSSMCTSA-N 396.491 2.722 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)cnc2O)N2CCOCC2)o1 635158622 YJUCOJXOGWQACH-CQSZACIVSA-N 399.369 2.511 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)NC3CC(F)(F)C3)C2)c1 585096075 ZGEMNUREXDAXSS-QGZVFWFLSA-N 388.418 2.693 0 40 GFAB O=C(Nc1ccc(Cl)cn1)C1CCN(Cn2c(=O)oc3ccccc32)CC1 47252555 JQNLPURWKIMFJD-UHFFFAOYSA-N 386.839 2.951 0 40 GFAB Cc1c(Cl)cccc1NC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188837 ZXNVIQBCAADNHR-LBPRGKRZSA-N 393.896 2.946 0 40 GFAB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(N)=O)cc1 8117566 KJEZLJYSIZVFGR-MDWZMJQESA-N 385.807 2.758 0 40 GFAB Cn1c(Cc2cccs2)nnc1SCCN1C(=O)c2ccccc2C1=O 5579931 APWVUONEICFGKD-UHFFFAOYSA-N 384.486 2.856 0 40 GFAB O=C(CSc1nnnn1Cc1ccco1)N1CCC[C@H]1c1cccs1 11742508 ZNXBGVRQZLOMND-ZDUSSCGKSA-N 375.479 2.832 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1Cl 16692501 JMUSPBHNMRLIMS-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2ccc(F)cc2F)c1C 17290668 CZQNVSLCWTXREJ-UHFFFAOYSA-N 386.445 2.960 0 40 GFAB COc1ccc(OC)c(CN2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19551446 BDTSEIARTYPTDR-MRXNPFEDSA-N 392.459 2.839 0 40 GFAB CC(=O)N[C@@]12CN(Cc3ccc(OC4CCCC4)cc3)CC[C@@H]1CN(C(C)=O)C2 19713561 OLEBUCGZFSCJMM-NFBKMPQASA-N 399.535 2.567 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(O)(Cn2ccnc2C)CC1 12143506 FIOYSVNHKGHQIP-KRWDZBQOSA-N 375.444 2.542 0 40 GFAB CCc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19367371 KVLOLOSNFVZCAI-FQEVSTJZSA-N 398.503 2.535 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCOc1ccc2ccccc2c1 23717663 DIZWFKSNTNNIQJ-UHFFFAOYSA-N 395.459 2.590 0 40 GFAB CC(C)n1cnc2cc(C(=O)NC[C@@]3(O)CCCN(c4ccccn4)C3)ccc21 2037879976 BOUNVEGXNNJRQJ-QFIPXVFZSA-N 393.491 2.774 0 40 GFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 85412890 DYJFRKQXEFQWRB-LPHOPBHVSA-N 382.368 2.876 0 40 GFAB O=C(C[C@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1ccccc1)Nc1ccccc1 4159574 UYBOJUITDWIHJH-HOTGVXAUSA-N 386.473 2.705 0 40 GFAB O=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 9067903 LUGPRVTUQRMNPY-UHFFFAOYSA-N 387.430 2.932 0 40 GFAB CCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(C)cc3)ccc21 22732638 YQSAQTRWUMMEOX-UHFFFAOYSA-N 379.504 2.743 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3onc(CN(C)C)c3c2)cc1F 1775970999 UHWGWEKQWKAVHK-UHFFFAOYSA-N 379.413 2.838 0 40 GFAB C[C@H](C(=O)NCc1ccccc1)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 9639202 YRMUVQQDXQCQID-ZUOKHONESA-N 383.473 2.536 0 40 GFAB O=C(c1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1)N1CCOCC1 40267969 HBDDNJSFXYIDDK-UHFFFAOYSA-N 384.215 2.998 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 2457214 MUFHQEJCULWHDC-UHFFFAOYSA-N 396.896 2.868 0 40 GFAB CCC(C)(C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996461 CDKWYKIHEIIYRS-UHFFFAOYSA-N 399.491 2.975 0 40 GFAB CCN1CCN(c2ccccc2NC(=O)Cc2ccc3c(c2)OCCO3)CC1 7987802 FCBJJXOQCXDBRZ-UHFFFAOYSA-N 381.476 2.781 0 40 GFAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc(C)n(-c2nccs2)c1C 36837733 MNDQXRQONKENHB-AWEZNQCLSA-N 379.507 2.671 0 40 GFAB COc1cc2c(cc1OC)C(=O)O[C@H](c1ccc(OC)c(OC)c1C(=O)O)N2 2151021 RALFJHSOWLDVNC-QGZVFWFLSA-N 389.360 2.700 0 40 GFAB biogenic CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1nnnn1-c1ccccc1 29531064 FYYZGPGQBSDTTH-UHFFFAOYSA-N 390.369 2.591 0 40 GFAB CCCc1cc(N2CCC[C@H](C(=O)NCc3ccccc3F)C2)n2ncnc2n1 4898188 GYELBEXODIJYQY-INIZCTEOSA-N 396.470 2.749 0 40 GFAB COc1cccc(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 4904259 LZRRFQMFXNHRFC-OAQYLSRUSA-N 395.459 2.546 0 40 GFAB C[C@@H]1c2ccsc2CCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 7878992 YUNWZEQRHAXYAR-LLVKDONJSA-N 379.432 2.700 0 40 GFAB Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)c1 7940042 YJNGHTZEFSSVIC-UHFFFAOYSA-N 389.473 2.958 0 40 GFAB Cc1sc2nc(COC(=O)Cc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C 32666454 MUKGOQZJJJKDIO-UHFFFAOYSA-N 386.429 2.659 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2SC)Oc2ccccc21 10009212 HOVZTEGACCXNIC-INIZCTEOSA-N 392.502 2.964 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2sc(C)nc2C)c(C)c1 10141936 KVOQGBYDPZGVLY-UHFFFAOYSA-N 389.477 2.597 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1 8369942 GRLLNBFAJPQFAC-UHFFFAOYSA-N 378.384 2.528 0 40 GFAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1 21475404 RVCYDYVUSACOGS-GFCCVEGCSA-N 395.444 2.665 0 40 GFAB Cc1cccc(N2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)c1C 32870735 DBQSXHMMCKRJCP-UHFFFAOYSA-N 386.521 2.615 0 40 GFAB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)sc3nc12 2722974 ZZHWRHAFGGHXET-UHFFFAOYSA-N 393.424 2.876 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2F)C1 52823173 YITCHKBOGNXUCP-INIZCTEOSA-N 376.453 2.647 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N[C@@H]1CCCCNC1=O 47173157 YPOLVLYKOWLZHW-ZNFPLGDCSA-N 390.846 2.771 0 40 GFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCC2)nc1 22326884 ZXLBKMPXPNYJFO-UHFFFAOYSA-N 382.508 2.953 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 42163183 CZGVHHFZAKFCIK-NSHDSACASA-N 395.868 2.604 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1ccc2c(c1)OCCO2 12522138 ZRUMNMUVULUOEG-SCLBCKFNSA-N 393.443 2.870 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@@H](C(=O)NC(N)=O)c1ccccc1 23873252 CTOOXIMOSNMAKV-HXUWFJFHSA-N 391.475 2.857 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 22510056 QURNTMRRLQVTIH-UHFFFAOYSA-N 382.869 2.992 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)N1c3ccccc3CC[C@H]1C)C[C@@H]2O 106053757 XVRQKMYMAZALPJ-BEFAXECRSA-N 396.487 2.921 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 20245054 RVLNIGIWGPMIRA-UHFFFAOYSA-N 385.848 2.731 0 40 GFAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 68339098 SFQUILBLOSDEAD-PIGZYNQJSA-N 394.880 2.511 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)c1ccccc1 25768655 ATLRGEKSKZFYMH-UHFFFAOYSA-N 380.416 2.548 0 40 GFAB O=C(O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1)[C@H]1CCCN(C(=O)C2CC2)C1 108156228 IEXBWZNGUJCOKE-VXKWHMMOSA-N 396.531 2.941 0 40 GFAB O=C(NCC1(c2ccccc2)CCC1)c1cccc(S(=O)(=O)NC2CC2)c1 10221675 VIPKMXWAGLXRAV-UHFFFAOYSA-N 384.501 2.979 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)NC1CCN(C2CC2)CC1 58391393 SHQUJGKLNRPCMX-AWEZNQCLSA-N 378.467 2.717 0 40 GFAB COc1cc(CNC(=O)c2cc(Cl)ccc2F)ccc1OCC(=O)N(C)C 36392760 RYAGKZINKWPCQK-UHFFFAOYSA-N 394.830 2.885 0 40 GFAB Cc1cc(C)cc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 10833879 MORRZPSUNLWPJE-QGZVFWFLSA-N 376.478 2.524 0 40 GFAB CCCNC(=O)[C@@H](C)OC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10817403 SGLFOBKVVGXWKG-OAHLLOKOSA-N 382.464 2.890 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 12865377 JZBXCIJXARNSTO-GFCCVEGCSA-N 393.399 2.671 0 40 GFAB C[C@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 12804906 ZDDYCAQZLFMNGY-LBPRGKRZSA-N 399.520 2.639 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1OC 3446177 LSQYGPBODVOEBJ-UHFFFAOYSA-N 393.823 2.839 0 40 GFAB Cn1nc(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ccccc2c1=O 71289067 SBKQOXYQLQNPIF-UHFFFAOYSA-N 394.862 2.970 0 40 GFAB COc1ccccc1Oc1ccc(NC(=O)CCCN2C(=O)CNC2=O)cc1 12946549 MIEWDAFSSXCZKJ-UHFFFAOYSA-N 383.404 2.758 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1Cl 3595866 WUVOAARHJGALDG-ADLMAVQZSA-N 379.844 2.788 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(NC(C)=O)ccc3F)CC2=O)c1 13017274 PJTOLFMSLACVDG-ZDUSSCGKSA-N 385.395 2.784 0 40 GFAB COC(=O)CCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073284 XFLGNTIQVDAMNG-NRFANRHFSA-N 383.448 2.937 0 40 GFAB biogenic O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H]1CCN(Cc2ccccc2)C1 8326596 FLURVOJZXDQBBP-FQEVSTJZSA-N 377.488 2.747 0 40 GFAB COc1cccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)c1 4264009 DKHBUAHBQCWKJH-MRXNPFEDSA-N 393.486 2.510 0 40 GFAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 6111392 ROKHDRJDLLKKMG-UHFFFAOYSA-N 382.445 2.544 0 40 GFAB COCc1c(C(=O)OCC(=O)Nc2sccc2C(N)=O)oc2ccccc12 5199460 BRNOGPNIGZYPOE-UHFFFAOYSA-N 388.401 2.535 0 40 GFAB COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CCN(C)C2 408563219 AEJRAIXKXKSHEH-UHFFFAOYSA-N 390.461 2.549 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C2CC2)cc1 14093457 GEEXWOKOORJZQU-AWEZNQCLSA-N 387.509 2.877 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 14201676 JWQZJBBVZGPTLI-UHFFFAOYSA-N 388.493 2.794 0 40 GFAB Cn1ncc2c(N3CCC([C@H]4CCCCCN4C(=O)C4CC4)CC3)ncnc21 69927911 JPVSKGWWWAZIHC-GOSISDBHSA-N 382.512 2.761 0 40 GFAB COc1ccc([C@H]2N(C(C)=O)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 4778647 PRDUENRFNDWVNK-FOIQADDNSA-N 388.489 2.944 0 40 GFAB Nc1nc(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)n[nH]1 8734970 RGTTWUGWJHQPBB-UHFFFAOYSA-N 380.886 2.818 0 40 GFAB CN(CC(=O)Nc1ccccc1Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6847964 IJOLMMWTRBTOBB-OAHLLOKOSA-N 390.530 2.895 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306131053 JVIAUTCSXBNKOV-SJORKVTESA-N 391.450 2.974 0 40 GFAB Cc1cc(N2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)nc(C(C)C)n1 15032692 DUHSCRLMYVGQDX-UHFFFAOYSA-N 384.509 2.529 0 40 GFAB CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 15225332 UKZMZNACGGHXOF-UHFFFAOYSA-N 387.388 2.765 0 40 GFAB Cc1cccc(C)c1-n1nnnc1SCC(=O)NCCc1ccccc1F 7379228 CEJNLXRXHDALCU-UHFFFAOYSA-N 385.468 2.869 0 40 GFAB CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 89977214 CAZRVGSBVPONLY-UGKGYDQZSA-N 386.584 2.572 0 40 GFAB O=C(CNc1nc(Cl)nc2[nH]cnc12)Nc1ccc(OC(F)(F)F)cc1 9531417 WGZWLKRKCNVVNL-UHFFFAOYSA-N 386.721 2.956 0 40 GFAB Cc1cccc(OCCCNC(=O)CN2CCC(=O)N(C)c3ccccc32)c1 72305653 YLLJFJTZIPAAMX-UHFFFAOYSA-N 381.476 2.753 0 40 GFAB COc1ccccc1N1CC[C@@H](CNC(=O)CN2CCC(C(F)(F)F)CC2)C1 95993003 SKIUUWNPHXLGMC-HNNXBMFYSA-N 399.457 2.912 0 40 GFAB CCOC(=O)C1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 9927177 CEZCFRIDYISQSB-UHFFFAOYSA-N 383.370 2.857 0 40 GFAB CC(=O)[C@H]1CC(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)=NN1c1ccccc1 89522662 OHAFJLOJFIBFHZ-RBUKOAKNSA-N 379.464 2.914 0 40 GFAB COc1cccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 113968651 CDRAGSSKABWUSW-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCN1CCOCC1 25562233 FFYZQKWDIVSFJM-DTQAZKPQSA-N 385.851 2.955 0 40 GFAB Cc1nc(/C=C/C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cs1 22286656 ICUAGWVXLQFRSD-ANYFNZRUSA-N 394.474 2.651 0 40 GFAB O=C(CN1C(=O)N/C(=C/c2c[nH]c3ccccc23)C1=O)Nc1ccccc1F 409212596 RGMLNTACLZQTAI-RQZCQDPDSA-N 378.363 2.838 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CC[C@H](C)CC3)n(C)c2)C1 518143253 HTYMEMHLJCBCPR-JYJNAYRXSA-N 381.542 2.754 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(=O)n(C)c3ccccc13)CC2 524735396 ZWJMHBVHXNBXNS-QGZVFWFLSA-N 378.428 2.973 0 40 GFAB COc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 72349316 ZEXIYOYKXGMCHU-UHFFFAOYSA-N 389.521 2.667 0 40 GFAB Cc1cc(C(F)(F)F)nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 541992474 CGTNELINAFTBOA-UHFFFAOYSA-N 397.376 2.704 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)c1 561591749 FJPMDIBRGPUWFV-INIZCTEOSA-N 398.438 2.751 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)c1 41152570 BQHPBJJDXARZGQ-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 225420202 COHWRRKVWOPTLI-UHFFFAOYSA-N 390.461 2.674 0 40 GFAB O[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cccc(F)c2F)C1 247959044 PBSMPXZSNOQVDN-SPYBWZPUSA-N 386.446 2.978 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)C(=O)O)cc1 242687263 UCSAYDBOFVSVBW-ZHALLVOQSA-N 393.892 2.872 0 40 GFAB COc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 604382386 QCOOOIUTVJWVIA-JAXLGGSGSA-N 382.460 2.538 0 40 GFAB biogenic,in-vitro O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)C1(n2cnnn2)CCOCC1 585109994 UMXQGEWZKHDVHD-UHFFFAOYSA-N 390.856 2.594 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)c1cc2ccccc2nc1O 299065785 OFWWBHXSLILODK-UHFFFAOYSA-N 377.444 2.703 0 40 GFAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)CN3CCCC3=O)o2)c1 257253538 JZICCMLAMHKQJJ-IBGZPJMESA-N 397.475 2.950 0 40 GFAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@H](C)CCc1ccccc1 260825538 HJLKABXHHCMKLO-GFCCVEGCSA-N 381.523 2.598 0 40 GFAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1C(C)C 260917454 DJQFXNRFSKQXMO-CVEARBPZSA-N 396.553 2.976 0 40 GFAB CCc1nocc1C(=O)NCC1CCC(CNC(=O)c2conc2CC)CC1 669357718 DFVJRRHRQCNFQX-UHFFFAOYSA-N 388.468 2.754 0 40 GFAB Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2c[nH]nc2-c2ccc(Cl)cc2)n1O 604418701 LRHLCZKSBOSBFC-AWEZNQCLSA-O 375.836 2.817 0 40 GFAB C[C@@H]1CN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)C[C@@H](C)C1(F)F 626600209 DKPAEOOBLAEGMK-SEDUGSJDSA-N 394.422 2.838 0 40 GFAB CO[C@@](C)(C(=O)O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 663034531 GZEXKFZBDKGJGN-IUODEOHRSA-N 380.199 2.522 0 40 GFAB O=S(=O)(c1cccnc1)N1Cc2cccn2C[C@H](CCOCC2CC2)C1 585095206 HXEXWWFRPRMHFW-KRWDZBQOSA-N 375.494 2.521 0 40 GFAB CC(=O)N[C@@]12CCN(Cc3ccccc3)C[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 585261348 LSUHQMCIWBRIOL-WXFUMESZSA-N 391.515 2.987 0 40 GFAB C[C@@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N1CCCCC1 57163418 GNQHHPABBMQMSW-KRWDZBQOSA-N 376.520 2.964 0 40 GFAB COc1ccc(CC(=O)N2Cc3ccccc3O[C@@H](CN(C)C)C2)cc1OC 12235129 SKPXLLYCSDLSLP-SFHVURJKSA-N 384.476 2.598 0 40 GFAB CCc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N(C)C)c3ccccc32)cc1 12413390 NYPWZRQHFDYZLP-UHFFFAOYSA-N 377.444 2.904 0 40 GFAB biogenic,in-vitro Cn1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)nc21 12486295 GRPTWTHXAPTZDC-UHFFFAOYSA-N 393.428 2.946 0 40 GFAB CN1C[C@@H](NS(=O)(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 12530099 FHRHLQNFURRKOV-ROUUACIJSA-N 398.488 2.601 0 40 GFAB biogenic,in-vitro CC(C)N(C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)C(C)C 19447585 YRXRFQARZBZRIY-UHFFFAOYSA-N 394.479 2.520 0 40 GFAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CC2)CCO1 19580550 PCFQAFOTTCESRU-XMMPIXPASA-N 392.499 2.992 0 40 GFAB O=C(NCCc1ccccc1)[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 19748110 XXOOTMCECBRYII-INIZCTEOSA-N 380.473 2.512 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1 13342693 DMAAQZWMCIMHJB-UHFFFAOYSA-N 383.809 2.934 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(c5cc(C(F)(F)F)ncn5)C[C@@H]4C3)n1)CCC2 1888869815 FSSCGTXNACWQOO-CHWSQXEVSA-N 390.413 2.655 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCN1CCc2ccccc2C1 31338308 LKXNGLMZMGIRMC-NRFANRHFSA-N 397.494 2.755 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3ccco3)nc2)cc1 238964207 YUFPNIWLIJCYRN-UHFFFAOYSA-N 387.417 2.998 0 40 GFAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1cccc(Cl)n1)C2 1565554828 GRDMSEJCRZQSBQ-UHFFFAOYSA-N 389.887 2.501 0 40 GFAB COc1ccc([C@H]2OC(=O)N(C)[C@]2(O)c2ccc(OC)c(OC)c2)cc1OC 6668007 QRMJRTVWIFQSMM-QUCCMNQESA-N 389.404 2.689 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1Cc1ccc(F)cc1 9038405 HWPPIFSAGYGJAI-CQSZACIVSA-N 396.871 2.806 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(OC)cc3)n2)cc1 9844268 GEJHOWRMQTWBHE-UHFFFAOYSA-N 393.443 2.748 0 40 GFAB COc1ccccc1CCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 12345809 FAEFDWWQLRZIDC-IBGZPJMESA-N 381.407 2.527 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cn(C)nc1OC 12422620 URESFHIYWTZUET-UHFFFAOYSA-N 386.481 2.746 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCCN1S(=O)(=O)c1cccs1 17170124 TYSSHSCGVFIMOY-CYBMUJFWSA-N 394.474 2.659 0 40 GFAB Cc1cc(SCC(=O)NCc2ccc3c(c2)OCO3)nc(-c2cccnc2)n1 49007089 ZVDPYWROLATVKF-UHFFFAOYSA-N 394.456 2.984 0 40 GFAB COc1cccc([C@@H](CNC(=O)c2ccc3nsnc3c2)N2CCOCC2)c1 49408943 GHGMCSYZNQEPPT-LJQANCHMSA-N 398.488 2.503 0 40 GFAB O=C([C@H]1COc2ccccc2C1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575615122 BLCZKONCMBYPCC-QUCCMNQESA-N 385.485 2.626 0 40 GFAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1ccc(-n2cccn2)cc1 585150718 DBKYJTFXHFBTHA-HNNXBMFYSA-N 391.518 2.768 0 40 GFAB CCc1ccc(OCCOC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 23224698 FTHOVZHSRCDRQV-JOCHJYFZSA-N 384.520 2.828 0 40 GFAB CS(=O)(=O)Cc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 40153272 LMEMLFBFOIZYPT-UHFFFAOYSA-N 399.472 2.640 0 40 GFAB CCOc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc1OC 40161755 SYNRTRAIMAFUEK-UHFFFAOYSA-N 377.466 2.635 0 40 GFAB Cc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)oc2c1C(=O)CC(C)(C)C2 40115068 JTWAWLVFMPKMHW-UHFFFAOYSA-N 397.475 2.905 0 40 GFAB NC(=O)c1nc(-c2cccc(Cl)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338274 USGNHPIHJNGOIW-UHFFFAOYSA-N 383.770 2.667 0 40 GFAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1ccc(C)cc1C 4385562 AUIIHGYGTGFIBA-MRXNPFEDSA-N 386.477 2.610 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1nc(=O)c2ccccc2[nH]1 21134002 TZSPIKVZHNIFJX-JTQLQIEISA-N 390.365 2.799 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(C)c2)c(=O)[nH]c1=O 7795887 VOWYADFOLXKZCP-UHFFFAOYSA-N 386.496 2.920 0 40 GFAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 107650183 KJTJLVHFGORGTA-WOJGMQOQSA-N 380.400 2.640 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccnc(N4CCCC4)c3)CC2=O)c1C 29552975 XCSGJSKOLRKTOH-IBGZPJMESA-N 392.503 2.968 0 40 GFAB O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc(Cl)c(Cl)c1 10042147 LXFGDTCQSHUYJZ-UHFFFAOYSA-N 395.242 2.583 0 40 GFAB CCc1cc2oc(=O)cc(COC(=O)C[C@@H]3CCS(=O)(=O)C3)c2cc1Cl 32747113 FLHJJYUNWDSJAF-NSHDSACASA-N 398.864 2.877 0 40 GFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)n1 100205619 PLSGYEXSHTVCOW-IYBDPMFKSA-N 381.480 2.586 0 40 GFAB CCC(CC)N(CCOC)C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 32915696 CXPWRKLPIZTALN-UHFFFAOYSA-N 384.542 2.588 0 40 GFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 102843808 QPQXBQIUAXRJFS-CALCHBBNSA-N 395.425 2.960 0 40 GFAB CC1(C)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 22038657 KGDSUQJCZZNAPJ-UHFFFAOYSA-N 392.503 2.682 0 40 GFAB Cc1cc2nc(CSc3nnc(NC(=O)c4ccco4)s3)cc(=O)n2o1 20583420 BFEOGBQNVGDPCI-UHFFFAOYSA-N 389.418 2.585 0 40 GFAB COc1cccc(OC)c1C(=O)O[C@@H](C)C(=O)N1CCc2sccc2C1 22680781 YKCBDHUXGLDUFV-LBPRGKRZSA-N 375.446 2.896 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCO3)c(Cl)c1 23042534 WNKIEXNUFURRAS-UHFFFAOYSA-N 383.809 2.919 0 40 GFAB CN(Cc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cn1 23243475 SKUUMMJRWPAOEF-UHFFFAOYSA-N 399.875 2.531 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1=O 23750687 NCKHETFCDDCJHB-QGZVFWFLSA-N 380.444 2.989 0 40 GFAB O=C(/C=C/C(=O)N1CCCc2ccccc21)N1CCN(c2ccccc2)CC1 24969347 CQQLZEXYDOKSIC-OUKQBFOZSA-N 375.472 2.871 0 40 GFAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc12 25692132 MDRLPDUMBKRFEI-ZDUSSCGKSA-N 390.399 2.873 0 40 GFAB CNC(=O)[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1OCC(C)C 107551505 OMXDAVAIXKEKDD-KRWDZBQOSA-N 384.480 2.648 0 40 GFAB COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CCCCC1 25172439 JFKZMCMHKBFQKV-AWEZNQCLSA-N 390.505 2.754 0 40 GFAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2136458 CNRLKUDBZCXBMB-UHFFFAOYSA-N 398.535 2.803 0 40 GFAB COc1cc(N[C@@H]2CC(=O)N(c3cccc(C(C)=O)c3)C2=O)cc(OC)c1OC 12642307 JXZDJRRQFNPCFT-MRXNPFEDSA-N 398.415 2.659 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1N1CCCC1=O 8130475 UAQHHZSHVOIQIT-UHFFFAOYSA-N 382.811 2.695 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc3sccc3c(=O)n2C)cc1 28697312 MOHLFUJXEIIHKC-LLVKDONJSA-N 389.502 2.801 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc2c(c1)nnn2CC 12789525 WVYGHSCUWQRKPS-UHFFFAOYSA-N 381.436 2.561 0 40 GFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@H](C)n1c(C)ccc1C 48374028 KVANTBJYERWJER-INIZCTEOSA-N 384.480 2.642 0 40 GFAB O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)Nc1cccc(C(=O)NC2CC2)c1 12883055 WCHLOKKILJUEOY-FQEVSTJZSA-N 397.450 2.730 0 40 GFAB COc1ccc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 12892807 FFMBNWICGQXMOK-OAQYLSRUSA-N 393.487 2.683 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 408609363 NCQSXHTTWWXNOJ-GOSISDBHSA-N 388.533 2.628 0 40 GFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20038481 MHKOMYDUWYJVBB-IEBWSBKVSA-N 380.554 2.966 0 40 GFAB COc1ccc(N(C(=O)c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 5080734 RXVMKYCDYQPJQB-MRXNPFEDSA-N 387.457 2.970 0 40 GFAB COc1ccc(Br)cc1CN(C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 5067638 JFWCGZZFOFAZJS-GJZGRUSLSA-N 393.281 2.798 0 40 GFAB COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)C(F)(F)F 13810530 CDNFJLXMXLQQQY-INIZCTEOSA-N 385.317 2.803 0 40 GFAB CC(C)(C)N1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)O)cc3)cc2C1=O 13957529 HOLFNGVJZMJLHK-UHFFFAOYSA-N 380.400 2.709 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 14247710 KCBVXEYZULEZKK-HNNXBMFYSA-N 392.521 2.548 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 6849672 KWUTZVHASLEBJK-SFHVURJKSA-N 391.427 2.531 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1ccn(Cc2ccccc2)c(=O)c1=O 6840256 XVMLMIKFQZSVNQ-UHFFFAOYSA-N 377.444 2.568 0 40 GFAB CCCC[C@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)C(C)=O 15082161 MESCDTQXFDMQFP-AWEZNQCLSA-N 385.493 2.873 0 40 GFAB O=C(CSCC(=O)N1CCCCC1)Nc1nnc(Cc2ccccc2)s1 8736030 AIEPGJMBSDSNMK-UHFFFAOYSA-N 390.534 2.813 0 40 GFAB COc1ccc(OC)c(N/C(C)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 8974291 RQDNCSLQGYKEJB-AQTBWJFISA-N 395.415 2.981 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1N1CCCC1=O 7491792 HZUKFYPMQKLDTN-UHFFFAOYSA-N 377.444 2.870 0 40 GFAB COCc1nc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2OC)no1 96000626 FQTGCSZCCQFLQI-CYBMUJFWSA-N 381.454 2.531 0 40 GFAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc3c(c1)OCO3)cn2C 22237335 QJWAGBQKNGBARG-UHFFFAOYSA-N 380.400 2.596 0 40 GFAB COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)ccc2nsnc12 96231310 DRCSACWULDEBKO-NSHDSACASA-N 381.413 2.933 0 40 GFAB COc1cccc(CNC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c1 71769047 RUVBJKBTQGHGRZ-UHFFFAOYSA-N 383.423 2.518 0 40 GFAB CN(C)c1c(F)cc(NC(=O)C(=O)NCCc2c(F)cccc2F)cc1F 83852355 CZMYRHJHYQJDOL-UHFFFAOYSA-N 383.345 2.606 0 40 GFAB CC[C@H]1Oc2cc([C@@H](C)NC(=O)Nc3cnn(CCOC)c3)ccc2NC1=O 78950669 KUPMVLUIFDSCAW-MLGOLLRUSA-N 387.440 2.522 0 40 GFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 95458412 ZQTIFFGHIGDMNJ-SJORKVTESA-N 399.499 2.749 0 40 GFAB Cc1c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)[nH]c2ccccc12 79018111 KVPOLVTXCKRCFO-UHFFFAOYSA-N 393.418 2.574 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 1556413250 DJJPMWJEWMZUEB-HNNXBMFYSA-N 393.443 2.642 0 40 GFAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)N2NC=NC2=N1 409377345 GPUVGNFYZWJFMI-INIZCTEOSA-N 397.822 2.533 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408597957 WZGNARZVMTXEPC-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CCc1ccc2c(c1)[C@@H](CCNC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)N2 518354827 FHWONQSDRSQSBZ-GFCCVEGCSA-N 380.370 2.707 0 40 GFAB Cc1sc(-n2cnnn2)c(C(=O)NCCCc2nc3ccccc3[nH]2)c1C 524732538 OEWZQELOGWZAIA-UHFFFAOYSA-N 381.465 2.580 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1OC 219493781 VXZBESFPNDSMJK-CYBMUJFWSA-N 375.421 2.805 0 40 GFAB O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(F)c(F)c1 32501880 DKVFQAHTSIPVAM-UHFFFAOYSA-N 386.402 2.899 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1OC 33698040 GTDNVPCPZYGTFR-CQSZACIVSA-N 392.477 2.626 0 40 GFAB CC(C)c1ccc(C(=O)N2CCN(c3ccc(N)cc3-n3cnnc3)CC2)cc1 70461830 KGSQUZCERNSKKL-UHFFFAOYSA-N 390.491 2.935 0 40 GFAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)n1nc(-c2ccco2)ccc1=O 62012634 LKQKTIBVUNOFID-HNNXBMFYSA-N 394.431 2.540 0 40 GFAB COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 48158469 YXBJWOJLOUEMSL-LJQANCHMSA-N 395.459 2.717 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc2cc[nH]c2c1 44889705 AWHKONTXZFDDFR-UHFFFAOYSA-N 377.448 2.638 0 40 GFAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc2c(c1)CCC2 44782885 LZEOJYYSVXODJJ-NRFANRHFSA-N 386.517 2.527 0 40 GFAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCSc3nc(C)n[nH]3)c2)n1 225914484 FLHGBXJTMKAROJ-UHFFFAOYSA-N 383.481 2.786 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)c(C)c2)ccc1OC 222914655 GTAWXCBTSHFBBF-UHFFFAOYSA-N 376.478 2.887 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 224904980 HQESLKCAXDMXIW-UHFFFAOYSA-N 391.468 2.831 0 40 GFAB CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1 225099823 SBOPYVFNWHCDAA-UHFFFAOYSA-N 383.397 2.513 0 40 GFAB CC[C@H](C(=O)N1CCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220600389 ZWAOQVVMHUGFES-MRXNPFEDSA-N 376.453 2.960 0 40 GFAB CO[C@@]1(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)CCC[C@@H](C)C1 225635239 OSBUCMGWVPKRSY-UTKZUKDTSA-N 376.497 2.931 0 40 GFAB Cc1cnc(N2CCc3cc(C(=O)NCC4CC4)c(NC(C)C)nc3CC2)nc1 96260462 MRMLZAFWNYFIRM-UHFFFAOYSA-N 394.523 2.745 0 40 GFAB COc1ccc(CNC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)cc1OC 96232362 NJDZLHBJGWGUAC-UHFFFAOYSA-N 381.436 2.868 0 40 GFAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(c4cccs4)CC3)cc21 96026024 AZYKZSSBVHYENX-UHFFFAOYSA-N 378.475 2.761 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365861 KAMLLTHSSKFMPL-OAHLLOKOSA-N 399.921 2.885 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C 575422588 NLGSLIDHUDVQOS-SFHVURJKSA-N 393.530 2.681 0 40 GFAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585291926 HDRWIFBBSGYNLA-UZYOAWRESA-N 396.476 3.393 0 40 GFAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 585100014 ZUZXIRJBGHYJBL-SFHVURJKSA-N 384.455 2.511 0 40 GFAB O=C(c1ccon1)N1CCC[C@@H](c2cncc(-c3noc(C(F)(F)F)n3)n2)C1 585289365 FKXFZXBIRGJFOG-SECBINFHSA-N 394.313 2.553 0 40 GFAB CC1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 55135307 CKHCCISSJGAQGY-SFHVURJKSA-N 377.554 2.520 0 40 GFAB Cc1nn(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(=O)c2ccccc12 12116081 CJJOVWPDBNXVPR-LJQANCHMSA-N 387.443 2.945 0 40 GFAB Cc1ccnn1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12129399 QRARNTNKSHQRIX-INIZCTEOSA-N 397.504 2.731 0 40 GFAB CCOc1ccc(NC(=O)CSc2nc(O)c(CC(C)C)c(=O)[nH]2)cc1 13453817 ONTOGTXVJIYJIN-UHFFFAOYSA-N 377.466 2.804 0 40 GFAB CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1 13580960 LFTYCXNZXRTEPX-UHFFFAOYSA-N 380.441 2.656 0 40 GFAB O=C(NCc1ccco1)NC[C@H]1CCC[C@H](CNC(=O)NCc2ccco2)C1 16430276 STTWEESENNJORW-HOTGVXAUSA-N 388.468 2.978 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 19078803 FSUXKVBEFDDMMY-YJBOKZPZSA-N 396.491 2.604 0 40 GFAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)n1 19117693 FDRWENRRFSZULM-HNNXBMFYSA-N 382.493 2.901 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3cccc(C)c3)C2)c2cccnc21 19234944 CRVQSFQOOCHHTA-LJQANCHMSA-N 377.492 2.865 0 40 GFAB CCCN1C(=O)N[C@H](CCC(=O)N[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)C1=O 19502573 LEZIJDXGOFLXMB-OCBLOMHFSA-N 383.492 2.796 0 40 GFAB CN(C[C@H]1OCCc2ccccc21)C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 19586002 LBNXCQXSJNMZEE-OXJNMPFZSA-N 382.435 2.951 0 40 GFAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 19655302 UWMGJBQOACFEAU-HXUWFJFHSA-N 381.388 2.548 0 40 GFAB Cc1sc2c(c1C)CN([C@H]1CCS(=O)(=O)C1)CN2C(=O)c1ccccc1 19880191 UXWLEABKSOXZIR-INIZCTEOSA-N 390.530 2.972 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1CO 12667530 URKRVRGZPJQUFY-INIZCTEOSA-N 381.480 2.500 0 40 GFAB COC1(c2nc(-c3cnccn3)no2)CCN(CCOc2ccccc2F)CC1 583615939 SQCDUFVLYJYFSD-UHFFFAOYSA-N 399.426 2.682 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(c2ncc(Br)cn2)CC1 1889091520 MOJFIOAKMQXLGG-UHFFFAOYSA-N 383.681 2.788 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889205584 MTUXAYDAOSYNCY-CZUORRHYSA-N 397.422 3.000 0 40 GFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccnc(OCC2CCOCC2)c1 245173979 YEZMOZDYWMEGBX-UHFFFAOYSA-N 394.431 2.867 0 40 GFAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccccc1 2975225 DQWQIAZAHCAGIN-UHFFFAOYSA-N 397.456 2.884 0 40 GFAB O=C(c1cc2ccccc2oc1=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 4165393 SQSUBGMHPGIGRG-INIZCTEOSA-N 381.409 2.751 0 40 GFAB CCCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O 5251764 YEHQMCZJXFVLBB-UHFFFAOYSA-N 379.464 2.864 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)ccc1F 5250724 JIQHKAOJGMILTB-UHFFFAOYSA-N 398.481 2.865 0 40 GFAB CCn1cc(C(=O)OCC(=O)Nc2cccc(OC)c2)c(=O)c2ccc(C)nc21 6817339 XSTBVLGKTAMZOU-UHFFFAOYSA-N 395.415 2.529 0 40 GFAB COc1ccccc1CCNC(=O)c1nn(-c2ccccc2C)c(=O)cc1OC 7457262 PYMCGIDQBOQYCY-UHFFFAOYSA-N 393.443 2.531 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9570884 IXIMJRXZLGGFHO-UHFFFAOYSA-N 379.754 2.533 0 40 GFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38732579 KUZAMPNMQTZRDA-ZIAGYGMSSA-N 396.472 2.819 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2cc(OCc3ccccc3)ncn2)n1 225533884 GNBUPOJOUITNNG-UHFFFAOYSA-N 384.417 2.941 0 40 GFAB Cc1ccccc1OCCN(C)S(=O)(=O)c1c(Cl)nc2ccccn12 40151540 DNSRXNJDAZKMTB-UHFFFAOYSA-N 379.869 2.996 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)cc1 30993212 XKDVGMOMXIEQBU-HNNXBMFYSA-N 388.807 2.705 0 40 GFAB O=C(NC1CC1)c1cccc(N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 8026480 MYICTCIWCFLMHF-HXUWFJFHSA-N 379.460 2.591 0 40 GFAB COC(=O)c1cccc(NCN2C(=O)c3ccc(Br)cc3C2=O)c1 1082469 SFAUGIGWTGXOSY-UHFFFAOYSA-N 389.205 2.901 0 40 GFAB CCOC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 4135139 HSYXIEOTZUJZPZ-GOEBONIOSA-N 381.432 2.676 0 40 GFAB biogenic Cc1nnc2ccc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)nn12 20733692 QZXXSTOHEGSQRN-UHFFFAOYSA-N 384.871 2.619 0 40 GFAB CC1CCN([C@H](C)CNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 60156302 SEYRUVGKFFAWJO-QAPCUYQASA-N 377.916 2.930 0 40 GFAB CCc1nn2c(=O)cc(CN(C)CCOc3ccc(Cl)cc3)nc2s1 20961998 JJYVFGYDQNQUFV-UHFFFAOYSA-N 378.885 2.878 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Cl)cc1 6100040 BQJXBYONTMNTDU-WOSRLPQWSA-N 380.872 2.696 0 40 GFAB CCc1sc(C(=O)NCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1C 32460221 PAVODQWGCHMLEO-CQSZACIVSA-N 397.504 2.755 0 40 GFAB C[C@@H]1C[C@H](OC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C(=O)O1 32736426 PKNXKRFILRCMEG-VHRDEZTHSA-N 389.351 2.756 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)C(=O)c1ccc2c(c1)CCCC2 58082760 OPRYFEQEKBUORP-UHFFFAOYSA-N 392.499 2.897 0 40 GFAB CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc[nH]c2=O)cc1Cl 32828357 GBWOBNKZVSJJEV-UHFFFAOYSA-N 377.828 2.528 0 40 GFAB CCc1ccc2c(CN3CCc4cc(S(N)(=O)=O)ccc43)cc(=O)oc2c1 32851087 KWIOKFNYUCAEEM-UHFFFAOYSA-N 384.457 2.566 0 40 GFAB CCn1c(=O)n(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c2ccccc21 32848002 XPCSHFQXTCLXSH-ZDUSSCGKSA-N 394.431 2.571 0 40 GFAB CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 107184827 NSASWCPTVHBOFQ-ROUUACIJSA-N 387.505 2.518 0 40 GFAB CC1(C)CC(=O)c2c(nc(N3CCN(C=O)CC3)nc2Nc2ccccc2)C1 9937593 IFUIQQLFINJDHT-UHFFFAOYSA-N 379.464 2.654 0 40 GFAB Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3SCC(=O)O)cc1 103316258 QXBKQLWOPCQQBM-IBGZPJMESA-N 380.429 2.980 0 40 GFAB CC[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(C)=O)[C@@H]2C1=O 101096814 FMMIIWJTGVIPNO-YQMDOQLCSA-N 389.455 2.808 0 40 GFAB O=C(Nc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 792993 YSZHYPVHSLAADD-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB COc1ccc([C@H](CNC(=O)c2sccc2C)N2CCOCC2)cc1OC 22702551 VWWVMNJVYWTZKP-INIZCTEOSA-N 390.505 2.877 0 40 GFAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)s1 54360557 JAXWOVRGBXRAGC-UHFFFAOYSA-N 389.462 2.549 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)CC(C)(C)C 54532565 VWZNGKJGAANGGH-UHFFFAOYSA-N 396.553 2.961 0 40 GFAB COc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O 12226881 CYJWCXJCHQMHJF-UHFFFAOYSA-N 392.883 2.911 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(F)c1 20801036 GTSWXTBWDXGOKJ-OALUTQOASA-N 395.434 2.590 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 103528811 HDJVVYZNPLXMGE-HAGHYFMRSA-N 385.423 2.592 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2nc3ccccc3s2)CC1 23872961 YXYJWPWTXCTCKX-GOSISDBHSA-N 395.484 2.781 0 40 GFAB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1ccc(Cl)c(Cl)c1 100646787 XDBLINCRGNVXGY-XHOOZROUSA-N 384.215 2.673 0 40 GFAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12410021 LFCGHACAQHWVCF-CYBMUJFWSA-N 385.430 2.762 0 40 GFAB C[C@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1391955 LZNIMUYGEQAHTP-INIZCTEOSA-N 387.379 2.869 0 40 GFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CCC(=O)C[C@]3(O)CC[C@@]21O[C@@H]4OC 118939845 VLMLLACKDSNIAO-MCXFVLADSA-N 392.492 2.608 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1 25157474 HWUXRDOHRWFNQF-UHFFFAOYSA-N 399.476 2.755 0 40 GFAB O=C1N=C(O)[C@@]2(Cc3cccc(F)c3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 25185169 TVBCTALBKNVSJY-IERDGZPVSA-N 395.390 2.697 0 40 GFAB COC(=O)C[C@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCO1 107071338 WKLRATKCRPGIOR-MNOVXSKESA-N 375.252 2.584 0 40 GFAB C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1CCCO1 43823658 QYKHPJVJRHCVDX-IUODEOHRSA-N 376.482 2.822 0 40 GFAB O=C(CSc1nccn1-c1cccc(Cl)c1)NCc1nnc2ccccn12 12547662 YRICDORTISACIB-UHFFFAOYSA-N 398.879 2.977 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)C[C@@H](C)O1 12550787 VHWIHNFMZPEAOB-IYBDPMFKSA-N 394.537 2.889 0 40 GFAB O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCN(c2ccccc2)CC1 58158874 JXQQZGKJHAAZNG-UHFFFAOYSA-N 380.448 2.993 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccc2)CC1 22876779 KGXAULXESQWSTB-UHFFFAOYSA-N 378.476 2.845 0 40 GFAB O=C(c1cccc(I)c1)N1CCN(c2nccs2)CC1 10269880 KRHZLQSVKVQMJL-UHFFFAOYSA-N 399.257 2.710 0 40 GFAB CC1CCN(C(=O)COC(=O)c2ccccc2I)CC1 3294756 DNLWMVBSYNZXMA-UHFFFAOYSA-N 387.217 2.707 0 40 GFAB CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2103784 RTDPOGLPMCJFGU-UKRRQHHQSA-N 375.421 2.855 0 40 GFAB biogenic NC(=O)c1cc(N2CCCCC2)ccc1NCC(=O)N1CCc2ccccc21 11009951 MQONLPZCOKGNHR-UHFFFAOYSA-N 378.476 2.777 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 48346126 ZQDVRHVTLPTBBZ-CQSZACIVSA-N 398.488 2.954 0 40 GFAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COCc1ccco1 12942176 YSPCYBYCGUJLRI-MRXNPFEDSA-N 385.464 2.696 0 40 GFAB O=C1COc2ccc(NC(=O)c3ccccc3SCC(=O)NC3CC3)cc2N1 12928188 IAMATBMDGMHEHA-UHFFFAOYSA-N 397.456 2.641 0 40 GFAB COc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(OC)c1OC 12986572 BWFGBCCYGJJRSR-CYBMUJFWSA-N 387.432 2.904 0 40 GFAB CSc1nc2nc(C)c(CC(=O)NCc3ccccc3Cl)c(C)n2n1 8273245 UFUOILDENIALCV-UHFFFAOYSA-N 375.885 2.975 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccc(C)cc3)CS[C@H]21 4074099 VMRLABMFDMXMSN-YCRPNKLZSA-N 398.484 2.898 0 40 GFAB biogenic Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)O 4699210 HNSLWOMUQSRCFE-UHFFFAOYSA-N 383.433 2.708 0 40 GFAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 6614881 GZZILDIDUNKZNF-ZSYWTGECSA-N 393.830 2.808 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1 6670272 ANTAFEXQBQJNCR-UHFFFAOYSA-N 383.791 2.925 0 40 GFAB COc1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1OC 4702408 WAWPPOGZYHYSAL-GDNBJRDFSA-N 386.379 2.944 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(Cl)cc1 5615754 JCJJRPBZPMCZMR-UHFFFAOYSA-N 382.869 2.780 0 40 GFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1c[nH]nc1-c1ccc(F)cc1 22900820 OVPXETSGUJEKIP-UHFFFAOYSA-N 382.395 2.843 0 40 GFAB CC1(C)C[C@H](NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)CCO1 70666454 LFPMWWOGEGYOIL-GFCCVEGCSA-N 377.437 2.589 0 40 GFAB biogenic Cc1c(C(=O)N2CCC(N3CCCC3)CC2)nnn1-c1ccc2ncccc2c1 66837473 VNSZADWBHIZFHG-UHFFFAOYSA-N 390.491 2.824 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)c1 67198127 IPFCZHNFNZSEFC-UHFFFAOYSA-N 395.333 2.965 0 40 GFAB Cc1nc(Cc2nnc(SCC(=O)NC(=O)c3cccs3)o2)cs1 7090429 NDMOHVADSRTQDI-UHFFFAOYSA-N 380.476 2.536 0 40 GFAB CCN(CC)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 15361979 APBVRDMSAFHXRK-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB Cc1cc(C)c2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc(C)c2c1 7159117 PTLJEWINXNQGDR-HNNXBMFYSA-N 392.546 2.898 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)c1 7586370 LDHPYPBVJDYGGP-GOSISDBHSA-N 393.447 2.721 0 40 GFAB Cn1c(SCC2=N[C@@H]3C=CC=C[C@H]3C(=O)N2)nnc1-c1cc2ccccc2o1 25142828 PJGBMOBJSPRFTI-ZIAGYGMSSA-N 391.456 2.960 0 40 GFAB Cc1cc(C)nc(SCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)n1 7737760 RHJAILDWXMPVCH-KRWDZBQOSA-N 385.489 2.923 0 40 GFAB CCc1ccccc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 16162402 UHQMMEUDXWRUSJ-UHFFFAOYSA-N 380.897 2.985 0 40 GFAB C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1Cc2ccccc2C1=O 71334880 WRGBFWQQIPONBM-QPGLYAHGSA-N 389.499 2.889 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1C 408621724 NXHQGIAJMYZFBY-UHFFFAOYSA-N 378.450 2.563 0 40 GFAB Brc1cc(CNCc2nnc3n2CCCCC3)cc2c1OCO2 60833093 PZODMFDIDGOWMG-UHFFFAOYSA-N 379.258 2.786 0 40 GFAB COCCn1ccc2c(NC(=O)CNc3nc(Cl)nc4[nH]cnc34)cccc21 95472550 ZQDAALNJTKMXFJ-UHFFFAOYSA-N 399.842 2.658 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1C 408627064 XUEKBQYSPYGPTN-GFCCVEGCSA-N 398.431 2.977 0 40 GFAB Cc1c(S(=O)(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c2ccccc2n1C 556347134 VHVTYKNGVKWQBR-OAHLLOKOSA-N 383.473 2.655 0 40 GFAB CCN1CCN(c2ccccc2CNCc2ccc(C[S@@](C)=O)cc2)CC1 513105918 DUNOCTKAWIWISE-HHHXNRCGSA-N 385.577 2.997 0 40 GFAB Cn1c(O)nc2cc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 516754436 YMWNCPJYUVPYNV-UHFFFAOYSA-N 384.867 2.890 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 518916341 ADIAZWITMRADEJ-OAHLLOKOSA-N 399.445 2.852 0 40 GFAB O=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)COc2ccccc2F)C1 70815159 NUPCWNBNXIOSOI-UHFFFAOYSA-N 394.349 2.903 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCc2cncc(-c3cccnc3)c2)cc1 675008416 XHUSHXQKAAWQLU-UHFFFAOYSA-N 395.484 2.796 0 40 GFAB Cc1cccc(NC(=O)Cn2nc3nc(N4CCCCCC4)ccn3c2=O)c1C 49410774 IVCOSOYHXYQNHK-UHFFFAOYSA-N 394.479 2.527 0 40 GFAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COC(C)C 224427974 NJCHPFUGRYQMRS-UHFFFAOYSA-N 378.450 2.520 0 40 GFAB COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1OC 222469420 WVOVONFGPUCTBJ-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB CC[C@H](C(=O)NCCc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220609495 METFMGKITXTBSQ-LJQANCHMSA-N 390.505 2.599 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1)c1ccccc1 222644897 MPWLMYYBDKTHDZ-GFCCVEGCSA-N 390.490 2.739 0 40 GFAB COc1ccc(C)cc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)cc1 225165614 HESKSTOEKGDJQB-MRXNPFEDSA-N 397.880 2.973 0 40 GFAB COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F 96232275 GVFHBFWZQVRTAI-NSHDSACASA-N 394.353 2.552 0 40 GFAB CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc12 96242155 OCVDPQXXHNBVET-HNNXBMFYSA-N 376.522 2.526 0 40 GFAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1cccc(C)n1)C[C@H]2c1ccccc1 257322146 WETIXYJJVJFRRB-AFXVXQJMSA-N 379.504 2.587 0 40 GFAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)CC[C@@H]1O 257281473 OPIUQSLKSNYBTQ-RDJZCZTQSA-N 387.505 2.548 0 40 GFAB CC1(C)CN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c2ccccc21 675114869 KBZCRAWRMNVIFC-UHFFFAOYSA-N 398.528 2.855 0 40 GFAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@H](CN1CCCC1)C2 585105156 ZSFRHAZVJLQPFO-SFHVURJKSA-N 378.538 2.651 0 40 GFAB C=CC(=O)NCc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 57237192 LCVUZUUOSOCHCA-UHFFFAOYSA-N 387.480 2.572 0 40 GFAB COCCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2ccccc2c1=O 5015798 ZHPSGVBNZDFLCP-ZBFHGGJFSA-N 389.521 2.830 0 40 GFAB Cc1cc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1O 12507763 COWMOWYWFATZRB-SFHVURJKSA-N 379.420 2.616 0 40 GFAB Cc1nc2sc3c(c2c2nc(C(=O)NCc4cccnc4)nn12)CCCC3 13207008 VWNGNHVIOSNAEE-UHFFFAOYSA-N 378.461 2.851 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585772 OWQOHBXSRPIKIW-UHFFFAOYSA-N 390.486 2.546 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 19333281 XBXQBMROFIQYSK-SFHVURJKSA-N 378.407 2.877 0 40 GFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(CC(C)=O)C1 19530011 AJRANGSYDNTGTF-KKSFZXQISA-N 390.455 2.943 0 40 GFAB Cc1nnsc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19563420 WYDLROAZDGUMAE-UHFFFAOYSA-N 387.490 2.678 0 40 GFAB CN(C(=O)Cc1ccccn1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586628 RGGICIHUUNTNIB-UHFFFAOYSA-N 379.460 2.586 0 40 GFAB Cc1c(NC(=O)c2cnc3c(C)cccn3c2=O)cccc1C(=O)N1CCCC1 19714662 UZADHDLCXJBHMY-UHFFFAOYSA-N 390.443 2.800 0 40 GFAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(I)cc2)o1 5344506 NBNJTPAUOUJEJS-YRNVUSSQSA-N 396.209 2.896 0 40 GFAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)N1CCCCCC1 4583839 UVWNUBLLGKEVCP-UHFFFAOYSA-N 396.487 2.980 0 40 GFAB Cn1nc([C@@H]2CCCO2)cc1NC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 654053985 AHXXTEWMKUESDY-WXHSDQCUSA-N 376.379 2.893 0 40 GFAB FC(F)(F)c1ccc(N2C[C@@H]3CN(Cc4nnc(C5CC5)o4)C[C@H]3C2)nc1 1888849902 IWJMHTPVPXPCER-STQMWFEESA-N 379.386 2.929 0 40 GFAB COc1ncccc1C(=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889217642 AMBNNLUJLDQDEN-UHFFFAOYSA-N 391.431 2.626 0 40 GFAB COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 24096768 VVFGPCGBVSOPGL-UHFFFAOYSA-N 396.422 2.842 0 40 GFAB CN(CC(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1)c1ncccn1 31660293 PBBHSOGNOMWFJW-UHFFFAOYSA-N 376.416 2.762 0 40 GFAB Cn1c(-c2ccccc2)c[nH]/c1=N\C(=O)[C@@H](c1ccc(F)cc1)N1CCOCC1 36752540 YEFVAVPVEMGCSQ-HXUWFJFHSA-N 394.450 2.660 0 40 GFAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 9570890 ASWXAAXRHBSPEG-UHFFFAOYSA-N 383.280 2.889 0 40 GFAB COc1cccc(NC(=O)NCc2nnnn2-c2ccc(Cl)cc2)c1OC 9616248 PNJCZFPQHWGIRK-UHFFFAOYSA-N 388.815 2.655 0 40 GFAB CCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccnn3C)nc12 13655242 OBFAEWUVCRAAOV-UHFFFAOYSA-N 399.520 2.571 0 40 GFAB Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n3C)o1 33545423 LRTKSJHYAWPTEA-UHFFFAOYSA-N 379.203 2.604 0 40 GFAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1 49008563 NPSDFHAZTCFFEQ-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB Cn1nccc1-c1cncc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 575615480 FFVMNIHBJBWAPQ-UHFFFAOYSA-N 396.394 2.979 0 40 GFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccnc1SC 206795770 WVZYUPWKESTACY-SWLSCSKDSA-N 390.436 2.778 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cncc(Br)c3)C2)c1F 245171774 XUNUGEHJGAAZRJ-LBPRGKRZSA-N 395.232 2.629 0 40 GFAB O=C(NCc1ccccc1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 585147862 DQVFKSNPZFOXSG-CQSZACIVSA-N 386.498 2.943 0 40 GFAB CCOC(=O)Cn1/c(=N/C(=O)c2cccs2)sc2cc3c(cc21)OCO3 101035423 ULXLJJILJUQISP-ZCXUNETKSA-N 390.442 2.797 0 40 GFAB COc1cc(C(=O)NCCC(=O)N2CCCc3ccccc32)cc(OC)c1OC 40122516 LNIBRQMDBUTLNZ-UHFFFAOYSA-N 398.459 2.812 0 40 GFAB COC(=O)c1c(NC(=O)Cn2cnc3ccccc3c2=O)sc2c1CCCC2 31681157 DYBRAWXBDVNBKY-UHFFFAOYSA-N 397.456 2.762 0 40 GFAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 11362896 XLIGTSZAENPNQB-UHFFFAOYSA-N 377.422 2.879 0 40 GFAB COc1ccc2c(CC(=O)OCC(=O)NCc3ccccc3OC)coc2c1 28937485 QOVHXLYNOKPRPQ-UHFFFAOYSA-N 383.400 2.852 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CC1 7814031 VWXZPLKMHLOEAA-LJQANCHMSA-N 379.460 2.972 0 40 GFAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CC2)C1 1340208 LHWIGECEFMQETH-CQSZACIVSA-N 386.521 2.666 0 40 GFAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2N2CCCN12 100934058 ZSNNWEDGCLUMBI-AQNXPRMDSA-N 377.444 2.539 0 40 GFAB COc1ccc(OC)c(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 2091461 CMIZLCIYFQYSGJ-KBPBESRZSA-N 385.489 2.682 0 40 GFAB COC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 101886129 UBBSYLXGXDFTHB-YGRLFVJLSA-N 387.263 2.523 0 40 GFAB C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NCc1ccc(Cl)cc1 32776091 LJHKOXNHWCNWRB-GFCCVEGCSA-N 395.864 2.605 0 40 GFAB CCOc1ccc(-c2nc(COC(=O)[C@@H]3CCC(=O)N3)cs2)cc1OC 32721836 FYDZZKPIHKDKOW-ZDUSSCGKSA-N 376.434 2.539 0 40 GFAB O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NCc2cccs2)c1 32716618 BDZVJMRKYNNLJD-UHFFFAOYSA-N 378.397 2.519 0 40 GFAB O=C(Oc1ccc(-c2nnco2)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 32996067 JMHGBMQGYGWTKA-KRWDZBQOSA-N 377.400 2.733 0 40 GFAB O=C(COc1cccc(Br)c1)N[C@H](O)C(Cl)(Cl)Cl 11917670 YHFMCHDGGUQNDO-SECBINFHSA-N 377.449 2.633 0 40 GFAB COc1ccc2c(c1)CCN2C(=O)CNC(=O)c1cccc(Br)c1 60473104 FFXNSUMOCIAQLR-UHFFFAOYSA-N 389.249 2.777 0 40 GFAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1C 2709842 DTPHLHXUTCCPTB-OAHLLOKOSA-N 391.474 2.589 0 40 GFAB CC(=O)N[C@@H](CC(=O)Nc1ccc(-n2cncn2)nc1)c1ccc(Cl)cc1 23056370 AODQCYLSUUPBHC-INIZCTEOSA-N 384.827 2.522 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 1088063 IIYSHQJDIJQHLK-CVEARBPZSA-N 382.482 2.547 0 40 GFAB Cc1c(O)ccc2c(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)oc12 23992172 ZAPJLACOPOYEHV-UHFFFAOYSA-N 377.400 2.676 0 40 GFAB Cc1nc(NC(=O)Cn2c(=O)cnc3ccccc32)sc1-c1ccccn1 24031880 HRUSDZHTQZBOPX-UHFFFAOYSA-N 377.429 2.862 0 40 GFAB Cc1ccc(CC(=O)O[C@H]2OCCO[C@@H]2OC(=O)Cc2ccc(C)cc2)cc1 1272626 VBZVKBHQKKBYJE-FGZHOGPDSA-N 384.428 2.874 0 40 GFAB O=C(c1cccc(F)c1)N1CC[C@@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745112 BKCNOQRBTUBPDT-CYBMUJFWSA-N 380.379 2.719 0 40 GFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccccc1)c1nccn1C 24972632 TUJYPRKYJUYFHF-VQIMIIECSA-N 392.459 2.941 0 40 GFAB CNC(=O)NC(=O)CN(Cc1ccc(OC)cc1)[C@H](C)Cc1cccs1 35286850 XBQSYPGSTXMMRY-CQSZACIVSA-N 375.494 2.646 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2100661 WONDFFZYEUQHTE-SGTLLEGYSA-N 375.421 2.738 0 40 GFAB biogenic COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCOCC1 12562701 FPXYKMVLNQXSHR-KRWDZBQOSA-N 383.492 2.991 0 40 GFAB O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 12519555 JDQSPRINDQDASU-UHFFFAOYSA-N 380.423 2.871 0 40 GFAB COc1ccc(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 28231810 RUKLDEWJTPGBRE-HNNXBMFYSA-N 379.503 2.515 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2cc(CO)ccc12)N1CCN(Cc2cccs2)CC1 36357995 DPFZWLZZPKAXDY-LJQANCHMSA-N 385.489 2.665 0 40 GFAB O=C(C1=Cc2ccccc2OC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 36395687 RIYMYFZBIGWWCQ-UHFFFAOYSA-N 392.455 2.578 0 40 GFAB CCOc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)ccc1O 16753631 YAGXLTCWZOGWPN-LJQANCHMSA-N 395.411 2.743 0 40 GFAB O=C1CCCN1C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1 47795009 YFLHGAACXCFUOC-IBGZPJMESA-N 379.439 2.860 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)c3cccc(OC(F)F)c3)cc2N1 3253688 WKVQLVHCWMZRDG-UHFFFAOYSA-N 377.299 2.659 0 40 GFAB O=C(COC(=O)c1cccc(-c2ccc(O)cc2)c1)NC(=O)NCc1ccco1 3278813 GWSSIOYYUJECEO-UHFFFAOYSA-N 394.383 2.835 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1OCC 3441717 PRGHCMFZHRKSFI-UHFFFAOYSA-N 398.415 2.626 0 40 GFAB COc1ccc(NC(C)=O)c(NC(=O)CSc2ncn(-c3ccccc3)n2)c1 8391367 SXBCDIWQCHWFQD-UHFFFAOYSA-N 397.460 2.965 0 40 GFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@@H]1C[C@@H]1c1ccco1 63465310 RABMLBOXTGEMGU-UONOGXRCSA-N 376.434 2.512 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21)Nc1ccccc1F 13624346 YWLTWGNBCQUZDC-GOSISDBHSA-N 381.407 2.806 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1ncnc2sccc12)[C@H]1CCS(=O)(=O)C1 6115570 LZFKVPFSOJYNHO-NEPJUHHUSA-N 399.563 2.598 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccccc2C(=O)O)c1 4320454 ZEXILWGYTJFLJQ-UHFFFAOYSA-N 390.461 2.976 0 40 GFAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 39998319 MBRSKGRQZBYSHB-ZDUSSCGKSA-N 380.491 2.501 0 40 GFAB CC(C)N(CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C 14185419 OZIZNXWQHMGIMU-UHFFFAOYSA-N 377.504 2.913 0 40 GFAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H](C(F)(F)F)C1 14186675 PQNWJOCQBQFLSP-CQSZACIVSA-N 390.427 2.886 0 40 GFAB Cc1cc(C(=O)COC(=O)CN2CCCCCC2=O)c(C)n1-c1nccs1 5540850 FAPLLVQJXQUMRC-UHFFFAOYSA-N 389.477 2.679 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 113947110 PCKXUAHOAPNLQN-OAHLLOKOSA-N 393.484 2.624 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cncc(Br)c1 5868147 QKLQVEFQKBGNGL-UHFFFAOYSA-N 398.282 2.655 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976163 UWJCJXXAYUVQAM-OAHLLOKOSA-N 384.407 2.627 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3)c(Cl)c2)C1=O 15858379 AHMUCQJJRCMUMV-LLVKDONJSA-N 378.837 2.905 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@@H]4C2=O)no1 9183761 XCLJIXXMLYMVTE-SSKBALOZSA-N 387.480 2.600 0 40 GFAB COc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1 9237917 BCUSSUXGADLAQI-IRXDYDNUSA-N 381.461 2.993 0 40 GFAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C(=O)OC)cc3)n2)cc1 9205810 FYPAHBRWMWTLII-UHFFFAOYSA-N 377.400 2.834 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 9337914 AVIRLKNQZNXEGJ-CQSZACIVSA-N 380.448 2.957 0 40 GFAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 9480250 VJWUEHTUYPFPRX-UHFFFAOYSA-N 377.780 2.931 0 40 GFAB Cc1[nH]c2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n2c1C 9421123 XAHMQEHNQBWZHH-UHFFFAOYSA-N 392.246 2.648 0 40 GFAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)c1 9419956 FLEXNHXYMYWRKR-KRWDZBQOSA-N 399.369 2.568 0 40 GFAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 95469800 VRXQKZRGHRZMNK-QUCCMNQESA-N 380.444 2.910 0 40 GFAB O=C(Nc1cccc(SC(F)F)c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 95946613 QDRQYUDDHBWDGG-CYBMUJFWSA-N 396.419 2.954 0 40 GFAB CC(C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409340615 ABLJUOMFFNDQRY-UHFFFAOYSA-N 388.917 2.854 0 40 GFAB O=C(c1ccco1)N1C[C@@H](c2nccs2)[C@@]2(CCN(CC3CCC3)C2=O)C1 306142314 WVVJXCHIRRNRKA-MGPUTAFESA-N 385.489 2.995 0 40 GFAB Cc1cc(=O)c(OCC(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)co1 524733202 FGBHXIMIJRTVPB-KRWDZBQOSA-N 381.432 2.968 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1 70636166 VAWOAGYNTSYVOT-GOSISDBHSA-N 387.457 2.869 0 40 GFAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)NCc1ccccc1 30953005 QJEISGNQXHIWTK-HNNXBMFYSA-N 386.835 2.553 0 40 GFAB CC(C)S(=O)(=O)CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 71970837 YYIOZBSJBHFXGX-UHFFFAOYSA-N 383.539 2.768 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38730852 HPBDWIULCCMYES-KGLIPLIRSA-N 398.513 2.841 0 40 GFAB CSc1ccccc1C(=O)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1 71001054 ACCDLNSIHOTMDD-UHFFFAOYSA-N 394.460 2.529 0 40 GFAB Cc1c(NC(=O)c2ccnc(NC(=O)C3CC3)c2)cccc1N1CCNC1=O 568306234 VIXSVQUVFKVPTF-UHFFFAOYSA-N 379.420 2.520 0 40 GFAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(Cn2ccnc2)cc1 44853662 XLLQIVITFMYMCX-UHFFFAOYSA-N 388.471 2.984 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)ccc1OC 44901906 CQTCWPCZBZEOQB-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)o1 257292608 QMGZEDPEIWWUEU-QGZVFWFLSA-N 380.448 2.877 0 40 GFAB COCC(=O)N1CCC(CCc2ccnc(NC(=O)c3ccccn3)c2)CC1 257317784 VLCXTMXOIJBGSA-UHFFFAOYSA-N 382.464 2.547 0 40 GFAB CC(C)CN1C(=O)C2(CCN(C(=O)CN(C)C)CC2)C[C@H]1Cc1ccccc1 257281425 OPDKURXDQMLJFP-HXUWFJFHSA-N 385.552 2.656 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)NC1CC1 257327658 XCFIKJDIPMAWIF-GOSISDBHSA-N 392.503 2.934 0 40 GFAB CC(C)Cc1ncc(-c2nccnc2C[C@@H]2CCN(S(C)(=O)=O)C2)s1 257295525 QYQYUCSZGRNNBJ-ZDUSSCGKSA-N 380.539 2.623 0 40 GFAB COCCC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257215334 CPQALDZHZSBNIG-HAQNSBGRSA-N 385.390 2.570 0 40 GFAB CCCCC(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44096893 BYEPNOTXGZLTLU-UHFFFAOYSA-N 383.374 2.989 0 40 GFAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CNC(=O)OCc3ccccc3)O[C@H]2C1 91302715 FJWIJNWULWSJNU-ZACQAIPSSA-N 376.453 2.937 0 40 GFAB in-vitro COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCn2nc(C)nc2C)cc1 12145697 HJUHHSGTQMHALA-IBGZPJMESA-N 394.479 2.673 0 40 GFAB CC(=O)N1c2ccc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)cc2C[C@H]1C 12204651 SCYYAKRYZXNZHO-SNVBAGLBSA-N 396.472 2.853 0 40 GFAB COC(=O)COc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1OC 12419305 GVYRPZCGZKCQKJ-UHFFFAOYSA-N 398.415 2.626 0 40 GFAB COCCNC(=S)N1CCC(c2nc(-c3ccc(N(C)C)cc3)no2)CC1 13555709 IMUVGKYUVQLSJZ-UHFFFAOYSA-N 389.525 2.503 0 40 GFAB Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@@H]2c1ccc(Cl)cc1 14607538 QHUBTILWVXELMD-KRWDZBQOSA-N 380.839 2.718 0 40 GFAB CN(Cc1ccccc1)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CC2)no1 15673533 KHKSGHZDUGPQFZ-OALUTQOASA-N 396.535 2.744 0 40 GFAB biogenic,in-vitro CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 19961154 OOIQXWZHAYGZSQ-HNNXBMFYSA-N 395.463 2.558 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)c2cccnc2n1 12254139 VEIHOIRABYDBDT-OAHLLOKOSA-N 377.448 2.658 0 40 GFAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1Cc1ccco1 7155453 YQUCMRQKQXDLEV-UHFFFAOYSA-N 398.440 2.774 0 40 GFAB Cc1csc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)n1 10555477 FIXAYWVTHLXJJZ-UHFFFAOYSA-N 378.413 2.696 0 40 GFAB Cc1cc(C(=O)N2CC[C@@H](COc3ccc(-c4cccc(F)c4)nn3)C2)nn1C 1888901255 MNTQRFSNVTVOSP-OAHLLOKOSA-N 395.438 2.866 0 40 GFAB COc1ccc(C)c2sc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)nc12 1889148883 LCLJJNHMLYSEFG-CQSZACIVSA-N 375.494 2.689 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(F)cc2)c(OC)c1 32659749 YSNZUPKIWADFBD-SFHVURJKSA-N 386.423 2.764 0 40 GFAB CCCOc1c(CN2CCO[C@]3(CCCCN(C)C3=O)C2)cccc1OC 2037984049 OKBCCKMZDZHVCN-OAQYLSRUSA-N 376.497 2.697 0 40 GFAB Cc1cccc(CN2CC3(CCN(C(=O)Cc4ccccc4)CC3)CC2=O)n1 1565542338 QSWHYZSKTXVNRW-UHFFFAOYSA-N 377.488 2.974 0 40 GFAB CCOC(=O)c1oc2ccccc2c1NC(=O)CN1C(=O)c2ccccc2C1=O 4135336 VZIUGVPHJKBMLG-UHFFFAOYSA-N 392.367 2.844 0 40 GFAB COc1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838581 MYIBOHAPXAQGIC-UHFFFAOYSA-N 382.372 2.774 0 40 GFAB CCc1ccc(-n2ncc(C(=O)N3CCC(C(N)=O)CC3)c2-n2cccc2)cc1 22570430 LZDCMLILSHXNEA-UHFFFAOYSA-N 391.475 2.563 0 40 GFAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCCC3)C[C@H]2NC2CCCCC2)[nH]1 2332241843 RKPNUQRAMUILQN-ONCXSQPRSA-N 388.556 2.911 0 40 GFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1Cc2ccccc2O1 32375382 LLZHEWRTZJZIRK-ICSRJNTNSA-N 386.879 2.833 0 40 GFAB CN(C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)c1ccccc1 40121234 KKPZLOKVMLGHFA-IBGZPJMESA-N 385.508 2.727 0 40 GFAB COc1ccc(-n2ncc(C(=O)NCc3ccc(C)s3)c2C(F)(F)F)nn1 40122227 FIJJQPSBSXARFD-UHFFFAOYSA-N 397.382 2.990 0 40 GFAB CCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 7873505 ZNTAVLBMHVJURR-QMMMGPOBSA-N 378.483 2.649 0 40 GFAB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 1106901 XDXQQTUVGRUECZ-UHFFFAOYSA-N 396.871 2.949 0 40 GFAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1 32081135 KOLYPJLQFVECJK-NSHDSACASA-N 394.836 2.578 0 40 GFAB O=C(O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 4044110 FFCSIQDHUAMNEF-MRXSCTINSA-N 375.424 2.665 0 40 GFAB biogenic O=C1N[C@@H](c2ccccc2F)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4387408 JKHHWXQVBXGWHG-JKIFEVAISA-N 382.313 2.930 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccccc4C)[C@H]3C2=O)cc1OC 101418177 NFPGZLIEMWNEFW-ZWKOTPCHSA-N 380.404 2.506 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCO2 7926520 BDKLKNOWAGVHHQ-INIZCTEOSA-N 397.475 2.607 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32842606 ZYAAOUXLBSZFIS-UHFFFAOYSA-N 392.415 2.862 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 32916097 LAGDAENIZPQEHU-CQSZACIVSA-N 395.337 2.980 0 40 GFAB OC[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cccc(O)c2)C1 100754045 JUZMYWCEVVKNGU-CSODHUTKSA-N 380.492 2.653 0 40 GFAB Cc1ccnn1[C@@H](C)C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 2778016 LZAKFXYFQWXNHC-PWSUYJOCSA-N 385.493 2.727 0 40 GFAB CCn1c(=O)n(CCC(=O)NC2(c3noc(C)n3)CCCCC2)c2ccccc21 23508558 UZFQMJULUTYMAL-UHFFFAOYSA-N 397.479 2.880 0 40 GFAB CCN(CC)[C@@H](CNC(=O)CN1CCCCCC1=O)c1cccc(OC)c1 42002057 WTUPKHZXUWRTGJ-IBGZPJMESA-N 375.513 2.597 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 8710014 WEIOCAAMYKSNGK-DZGCQCFKSA-N 388.493 2.665 0 40 GFAB Cc1cc(NC(=O)c2ccccc2OCC(=O)N(C)C)n(Cc2ccccc2)n1 23003205 GGXGIXRNUJQETI-UHFFFAOYSA-N 392.459 2.959 0 40 GFAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CN1Cc1ccco1 53357564 ACUQKTAINVONBM-KSSFIOAISA-N 378.432 2.868 0 40 GFAB CC(C)(C)OC(=O)NC1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 47539462 YRTQLLLKYASNOU-UHFFFAOYSA-N 381.904 2.945 0 40 GFAB COC(=O)c1ccc(COC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)cc1 24753098 BDVSTUPFTHXIPQ-GJZGRUSLSA-N 384.432 2.839 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)no2)cc1 25044476 ZQLGWBCTCRGFKQ-UHFFFAOYSA-N 386.429 2.949 0 40 GFAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Nc4cn[nH]c4)CC3)n2)cc1 57029620 PAWUIKDIVVRQOI-CQSZACIVSA-N 381.440 2.679 0 40 GFAB COc1ccc(CNCC2=NO[C@H](Cc3cc(OC)c4c(c3)OCO4)C2)cc1 35327609 CVFBJRSNXBLNBR-GOSISDBHSA-N 384.432 2.910 0 40 GFAB CCn1cc(Br)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1 28244265 SLHMVBJHBYSAAV-UHFFFAOYSA-N 392.301 2.670 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@H]2O4)c1 108234195 PWNRLDPQVXUNFA-FLTJSSMESA-N 379.416 2.525 0 40 GFAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 44717738 OZIKEIPEIPKLAF-QMMMGPOBSA-N 389.317 2.889 0 40 GFAB O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccncc1 58191441 XGMPVYPRKUTWDK-KRWDZBQOSA-N 379.382 2.904 0 40 GFAB CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccnc2)CC1 58131600 ZKOWLIRKPCQQET-QMMLZNLJSA-N 398.551 2.798 0 40 GFAB COc1cccc(C[C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 12661016 JKROYVBMPNATCP-FUHWJXTLSA-N 385.460 2.955 0 40 GFAB biogenic CCN(CC)c1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 3318535 CUWSVCQQKBMRDX-UHFFFAOYSA-N 384.432 2.735 0 40 GFAB Cc1cccc(N(CCCC(=O)NCc2cccnc2)S(C)(=O)=O)c1C 113962202 BZNVVTLQTUFMTM-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1c3ccccc3CC[C@@H]1C)n2C 48353777 WBFADIZCNQQIRV-AWEZNQCLSA-N 381.480 2.565 0 40 GFAB COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1OCC(N)=O 12997532 QNXWHXLXXRJIQY-UHFFFAOYSA-N 375.450 2.537 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2ccc3c(c2)OCCO3)cc1 8393822 RLXGAFHNGMOZCX-UHFFFAOYSA-N 386.473 2.955 0 40 GFAB Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1[C@@H]1CCS(=O)(=O)C1 39588330 ZVYLPVVXODZTLZ-OAHLLOKOSA-N 399.472 2.669 0 40 GFAB O=C(CNS(=O)(=O)c1ccccc1F)Nc1cccc(Br)c1 6227098 RPVFRABHONFIDI-UHFFFAOYSA-N 387.230 2.505 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3nc(C)cc(C)n23)c1C 5213359 MKJMHOWVFPSORN-UHFFFAOYSA-N 387.465 2.838 0 40 GFAB CC(C)CNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 5322312 ZTTYZBFQPCQRJK-IBGZPJMESA-N 377.444 2.966 0 40 GFAB CN1C(=O)N(CC(=O)Nc2ccc(Br)cc2)C(=O)C12CCCCC2 5422841 JUIFBDJHOVIJLQ-UHFFFAOYSA-N 394.269 2.985 0 40 GFAB COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1cccc(F)c1 4738805 QLTRPGYMQLSRQS-SFHVURJKSA-N 399.422 2.947 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)Cc1ccccc1 7140999 FCVBUJVFMRCAFY-UHFFFAOYSA-N 395.912 2.661 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 22861968 PSXRMRGRWUDYHZ-UHFFFAOYSA-N 395.868 2.703 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)NCC1(N2CCCCC2)CCCCC1 8733764 BPXONNXEJWAPAJ-UHFFFAOYSA-N 398.507 2.808 0 40 GFAB C[C@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)c1c[nH]c2ccccc12 7720425 XIJNCHFBJJYONP-ZDUSSCGKSA-N 391.383 2.799 0 40 GFAB CCOC(=O)[C@@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)C1 89983550 GHWYGYNCWPWNON-CHWSQXEVSA-N 389.521 2.885 0 40 GFAB CCN(CCCN1CCN(C(=O)c2ccc(OC)cc2)CC1)CC(F)(F)F 96012901 DCSLSUDSHDPQER-UHFFFAOYSA-N 387.446 2.727 0 40 GFAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(O)cc2)CC1 72311924 YXGWJRBPCFEOLW-OAHLLOKOSA-N 377.444 2.903 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 20493479 WTYUDGAZUGLWHH-UHFFFAOYSA-N 382.432 2.827 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 408596886 TYDYYASHTHYWEC-UHFFFAOYSA-N 390.461 2.721 0 40 GFAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C(=O)c1cn(C(C)C)nc12 306127509 GAKLEFRTKFZGNY-UHFFFAOYSA-N 394.519 2.961 0 40 GFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NC1CC1 408587542 DVBHZMIAXWOULX-UHFFFAOYSA-N 398.843 2.937 0 40 GFAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)NC1CCCCCCC1 60916180 VJMKZFWGWYDXIY-UHFFFAOYSA-N 379.526 2.791 0 40 GFAB CC(C)OC(=O)[C@@H]1C[C@@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 4143810 IHNLSGUEYFDDLL-BZLDKRAPSA-N 394.439 2.769 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3OC(C)C)C2=O)o1 33668466 CXRMDDUXYIFIMQ-GDNBJRDFSA-N 384.388 2.946 0 40 GFAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1c(-n2cnnn2)sc2c1CCC2 524734148 CFCWNQXSSWLFMQ-UHFFFAOYSA-N 396.451 2.805 0 40 GFAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)ccc1O 31860817 VJXYCGBOCOGNJF-DZKUTHLPSA-N 399.443 2.948 0 40 GFAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cn1C 79484585 ZHOAALWZEXFUMW-UHFFFAOYSA-N 399.428 2.563 0 40 GFAB O=C(NCC1CCS(=O)(=O)CC1)c1cc(Oc2ccccc2)ccc1O 533820870 UIRJFMGEFCMISW-UHFFFAOYSA-N 375.446 2.739 0 40 GFAB CCn1ccnc1CN1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1 72352135 IXRAHJQGRHLKEA-UHFFFAOYSA-N 398.555 2.764 0 40 GFAB O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cc(F)ccc1F 36700222 PESAQBOGDIKFTO-GOSISDBHSA-N 396.459 2.707 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCCCC2)cc1C 39986158 SBLGNKPBSYBFKV-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(-c2ccccc2)cc1 71980024 XHKAHGVAWRCHSQ-LJQANCHMSA-N 380.444 2.701 0 40 GFAB CC(=O)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1 72332793 BNYMWYFDNNGEAG-SFFUCWETSA-N 382.453 2.795 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCCc2ccccc2OC)cc1 44846265 VOOIQLVRBPEZNK-UHFFFAOYSA-N 377.462 2.534 0 40 GFAB C[S@](=O)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 83990119 ACFXYGRIOXBXJW-PRIURMTKSA-N 396.940 2.608 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N(C)c1ccc(F)cc1 222771037 QTOGJIPGGMKOMT-UHFFFAOYSA-N 394.468 2.863 0 40 GFAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2NC1=O 44672876 ABHSYVUBKPWSLB-SNVBAGLBSA-N 376.459 2.775 0 40 GFAB Cc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 223591402 SGHQQJWZRWSZND-UHFFFAOYSA-N 380.897 2.726 0 40 GFAB C[C@@H](CC(=O)O)CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 581141753 BUKCUFHTEOWPMB-LLVKDONJSA-N 387.263 2.779 0 40 GFAB O=C(c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1)N1CCCC1 244534099 ZUUAEPWXPXUQCS-UHFFFAOYSA-N 376.453 2.583 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)NC3=O)s1 257310544 UFNFHYMXXIAKMP-SJORKVTESA-N 399.516 2.604 0 40 GFAB CN1CCO[C@@H](C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 618238027 OWUCKLBVNYPRAT-AEFFLSMTSA-N 386.414 2.839 0 40 GFAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)C1 624144390 PNQAQQBDPWEMRR-NEWSRXKRSA-N 393.553 2.541 0 40 GFAB COc1ccc(-c2nc(CC(=O)N3CCc4nc[nH]c4C3)cs2)cc1OC 646260559 RIYFCAIGBFHVRS-UHFFFAOYSA-N 384.461 2.678 0 40 GFAB C[C@@H]1CN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C2(CCC2)CO1 649823527 HMDMMOAJTWCVPV-MRXNPFEDSA-N 383.492 2.928 0 40 GFAB CS(=O)(=O)CC[C@H](Cc1cccc(-c2ccc(C(=O)O)cc2F)c1)C(=O)O 657207920 KVFVWZSGXZICKZ-OAHLLOKOSA-N 394.420 2.869 0 40 GFAB CN(C)c1ccc([C@H](O)CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 90611838 UCYZXFFDXDYIHJ-HXUWFJFHSA-N 382.439 2.756 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)CSc3ccc(F)cc3)C2)cc1 96377862 BXRKGFPHPLCNNV-UHFFFAOYSA-N 395.477 2.611 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NCc1nccnc1-c1cccs1 575619178 ADSOFUWWAZTMRP-UHFFFAOYSA-N 391.456 2.622 0 40 GFAB CO[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccnn2CCc2ccccc2)C1 585114065 UCFGLOIUIFWLJL-IBGZPJMESA-N 397.500 2.892 0 40 GFAB Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4cc(C)on4)[C@H]3C2)n(C)n1 585109832 YSWIUHLCLCLVMS-IRFCIJBXSA-N 391.475 2.725 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCCc2ccccc2F)c1 45113532 CSAGULUMANZJMY-UHFFFAOYSA-N 393.484 2.554 0 40 GFAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1ccc(Cn2ccnc2)cc1 1775976475 AKQGKPNVYJZMHD-UHFFFAOYSA-N 390.472 2.555 0 40 GFAB O=C(COc1ccc(CNC2(c3cccc(F)c3)CC2)cc1)N1CCOCC1 12238767 YRZQABXZLZNKKE-UHFFFAOYSA-N 384.451 2.842 0 40 GFAB CC1=CC2=NC(=O)C[C@](C)(C(=O)N3CCC(O)(c4cccc(C)c4)CC3)N2C=C1 12290259 PTXWMUVKXPSEKH-JOCHJYFZSA-N 393.487 2.668 0 40 GFAB Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1CCc1ccccc1 12373985 GNYINOXXAOOFHF-UHFFFAOYSA-N 393.491 2.665 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)cc1OC 13008722 CSMDFSIQQIMZDM-UHFFFAOYSA-N 390.505 2.607 0 40 GFAB O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 15362102 WGMCVRODGFPCFR-UHFFFAOYSA-N 385.441 2.968 0 40 GFAB Cn1nccc1-c1nc(NCCCN2CCOCC2)ncc1-c1ccsc1 19289243 MQQHQYGJHUALAS-UHFFFAOYSA-N 384.509 2.740 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1Cc2ccccc2OC2(CCOCC2)C1 19375577 XFCUTETVWUDTBB-UHFFFAOYSA-N 377.437 2.958 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nc[nH]n3)c(=O)c2c1-c1ccc(C)cc1 19973861 ZAPMUVXZNSEXNT-UHFFFAOYSA-N 375.388 2.574 0 40 GFAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC(C)(C)C)C1=O 12241949 VXUWGPRTHOLYSQ-OAHLLOKOSA-N 384.432 2.929 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253595660 HENRGOQCCGDMFN-OPDBOEGZSA-N 397.519 2.543 0 40 GFAB Cn1cc(C(=O)N2C[C@@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)c(C(F)F)n1 1888876480 XOOKXZMRNPCTOP-VOJFVSQTSA-N 395.385 2.608 0 40 GFAB OCCN1CCC(c2ccnc(N=c3cc(-c4ccc(F)cc4)[nH][nH]3)c2)CC1 2037846415 QWOQUGICLPPKRQ-UHFFFAOYSA-N 381.455 2.948 0 40 GFAB Cc1cccc(CN2CCC[C@]3(CCCN(C(=O)c4cc(C)nn4C)C3)C2)n1 2056224186 GGHUTHQNSIOSSB-QFIPXVFZSA-N 381.524 2.950 0 40 GFAB Cc1ccccc1Cn1c(=O)c2c(nc3n(C(C)C)c(C)c(C)n23)n(C)c1=O 4370580 VYVUMOJRNTTWDQ-UHFFFAOYSA-N 379.464 2.704 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)C12CC3CC(CC(C3)C1)C2 10251063 IVNNKMCSHMVKSP-UHFFFAOYSA-N 389.459 2.869 0 40 GFAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccc2c(c1)OCO2 12165636 SJEPZSKGUXDYOY-UHFFFAOYSA-N 392.411 2.623 0 40 GFAB COc1ccc(OC)c2sc(N3CCN(C(=O)c4cc(C)no4)CC3)nc12 12422458 WSKHLCPBBHJZIJ-UHFFFAOYSA-N 388.449 2.572 0 40 GFAB CCc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c(-n2nc(C)cc2C)n1 17317056 XUOKSVGRSSJYTD-UHFFFAOYSA-N 385.855 2.900 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1C 22767159 KMGSJWOVPPCVKN-LJQANCHMSA-N 393.578 2.632 0 40 GFAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ccc(C(F)(F)F)cn2)C1 585604807 KCMMAPZYUUSVCU-UHFFFAOYSA-N 387.365 2.856 0 40 GFAB c1cc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)ccn1 35424622 YBOSNWJCRMPOSM-SFHVURJKSA-N 392.463 2.700 0 40 GFAB biogenic,in-vitro Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)cn2)n1 40081869 WSIFAPXGCSAAEZ-UHFFFAOYSA-N 384.461 2.681 0 40 GFAB C[C@@H](C1CC1)N(Cc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O 40051404 YXEGSHQRRDHKTP-LPHOPBHVSA-N 378.472 2.944 0 40 GFAB Cc1cnc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cn1 40107820 XYDFFNFINNQVQK-INIZCTEOSA-N 392.381 2.897 0 40 GFAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)C1 40105054 VFTQVZPJGOXEGT-ZFWWWQNUSA-N 380.466 2.603 0 40 GFAB Cc1nc2c(cc1C(=O)NCc1ccc(N3CCCC3=O)cc1)c(C)nn2C 29009337 CLDFRRNHZKDVPU-UHFFFAOYSA-N 377.448 2.642 0 40 GFAB CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2OC)c(C(N)=O)c1C 1049578 BWFAFLYEYORGJS-UHFFFAOYSA-N 389.477 2.898 0 40 GFAB O=C(CN(Cc1ccccc1F)C(=O)c1csnn1)NCc1ccccc1 1346784 QPZAHXMEHVWFGU-UHFFFAOYSA-N 384.436 2.636 0 40 GFAB COc1ccc([C@H]2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 1634696 ASLIDZCDIOKTLE-LJQANCHMSA-N 385.445 2.573 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccccc2)c1 7842292 BFEVDKLNOMSZQB-UHFFFAOYSA-N 390.505 2.868 0 40 GFAB CCCC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2097892 YOLYINFGKPLKAG-MRXNPFEDSA-N 375.421 2.802 0 40 GFAB biogenic C[C@H](C(=O)Nc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11718389 BSTBDOBKJFDJTF-CQSZACIVSA-N 393.534 2.518 0 40 GFAB COCCNC(=S)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O 4127157 FUEQKAHXRDBKBZ-UHFFFAOYSA-N 396.516 2.755 0 40 GFAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(OC)c(O)c2)nn1 32100940 MGANZKSGLDYKSK-LBPRGKRZSA-N 381.392 2.817 0 40 GFAB CCn1c(SCC(=O)c2ccccc2F)nc2cc(S(N)(=O)=O)ccc21 6977255 SYXPUBYVVRNGJH-UHFFFAOYSA-N 393.465 2.818 0 40 GFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2cccnc2)Oc2ccccc21 100179791 CSOMFKMFUCXVEM-UTAOTPEMSA-N 377.444 2.653 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C(=O)c2cccs2)CC1 32759722 ZVGCDXAWFGAAAE-LBPRGKRZSA-N 378.885 2.582 0 40 GFAB CC(C)c1nn(CN2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c(=S)[nH]1 32803783 VNVSXDVAGZLBMG-UHFFFAOYSA-N 395.554 2.725 0 40 GFAB CN(Cc1ccc(F)cc1F)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 32908234 SPASNPBKCRQXRL-UHFFFAOYSA-N 380.416 2.777 0 40 GFAB C[C@H](Cn1cccn1)NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 46466918 NAJGHFSCCJYTBQ-CQSZACIVSA-N 379.867 2.592 0 40 GFAB CC(=O)[C@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N21 101096949 IDRVIQXMNRIGPG-MTNOOBJLSA-N 389.455 2.808 0 40 GFAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc(C(=O)OCC)c1 2800799 OYLVGIGKUABSTN-CVEARBPZSA-N 391.420 2.870 0 40 GFAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)NC[C@H]1CCCO1 23185207 OPZDOFKWFAOZGJ-MRXNPFEDSA-N 387.505 2.598 0 40 GFAB CC(=O)N1CCN(C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 23386752 FQEUOXMMQPLUQG-FYYLOGMGSA-N 382.504 2.626 0 40 GFAB O=C1C[C@H](n2nc(-c3ccncc3)n(-c3ccccc3)c2=S)[C@H]2CO[C@@H]1O2 1071827 TUNWGBYRKYKSIH-YXJHDRRASA-N 380.429 2.721 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4ccnc4C)nc3)CC2=O)c1 47275948 NYVGSDDYVZQSAM-OAHLLOKOSA-N 391.431 2.576 0 40 GFAB Cc1noc(C2CCN(C(=O)[C@H](NC(=O)c3cccs3)C(C)C)CC2)n1 54665226 PHVPPFWPOANJAB-OAHLLOKOSA-N 376.482 2.600 0 40 GFAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccccc1Cl 22767272 GPTNPEQSWOWVCP-OAHLLOKOSA-N 386.926 2.753 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OC1(CCCC1)O2 12594601 WSZXVCRMKKCBAY-UHFFFAOYSA-N 396.399 2.825 0 40 GFAB Cc1cnc2c(S(=O)(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cccc2c1 26548951 YRVSSWCAXJYGQN-UHFFFAOYSA-N 399.472 2.811 0 40 GFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC1CCCCCC1 22252507 RBLMHCNYEVXBIJ-UHFFFAOYSA-N 398.525 2.942 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)cc1 35685076 JTLOHPXCEHLRKA-INIZCTEOSA-N 393.378 2.960 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)CCN2CCC[C@H]2c2cccs2)cc1 22199284 IVKAOXGJVSDQKG-HNNXBMFYSA-N 379.507 2.561 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)on2)cc1 58402986 UFEWOKIEMGKIBZ-UHFFFAOYSA-N 391.427 2.954 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCCC[C@@H]1CCO 2309390 ZNXHEAYSQHOSII-CQSZACIVSA-N 391.443 2.659 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)n(C)n1 11063363 JWZCKHOXCPPTCA-UHFFFAOYSA-N 398.444 2.838 0 40 GFAB O=C(CN1CCC(c2ccc(O)cc2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 12766808 FNGWZQVMJDSXIZ-UHFFFAOYSA-N 397.431 2.649 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)NCCNc2ncccn2)c(Br)c1 48354252 VDPYUYUAZOERRQ-GFCCVEGCSA-N 379.258 2.543 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 48324105 LHBJFFORMOETTQ-IBGZPJMESA-N 388.489 2.589 0 40 GFAB Cc1ccc(CNC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 8277985 OSAXNJHVASECQQ-UHFFFAOYSA-N 387.443 2.666 0 40 GFAB CSc1ccc(CN(C)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1 12865334 HSFSTDWZYKMCKZ-UHFFFAOYSA-N 383.473 2.789 0 40 GFAB O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3442968 OTPWILZJNFRFCG-UHFFFAOYSA-N 388.420 2.827 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 408622922 ODXBVTYQLIHSRV-INIZCTEOSA-N 390.505 2.726 0 40 GFAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1 3625960 WGPKHZLZCIFUJG-LAUBAEHRSA-N 389.496 2.504 0 40 GFAB Cc1ccc(CNC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)cc1 8326521 FJMCUGCPHQPYEC-CQSZACIVSA-N 378.523 2.846 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(Cc3cn4cc(Cl)ccc4n3)C2=O)cc1 13058283 KBONOESAQQWJBI-IBGZPJMESA-N 384.823 2.964 0 40 GFAB CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O 20673230 MGIKDBUTQZHRLV-UHFFFAOYSA-N 397.435 2.578 0 40 GFAB Cc1ccc(CNC(=O)CCCNC(=O)c2cn(C)nc2C(F)(F)F)cc1 4036472 UOQSFHMHZLSWDD-UHFFFAOYSA-N 382.386 2.574 0 40 GFAB CCNC(=O)NC(=O)[C@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1 6100453 YTETUYGQNAYQBT-CQSZACIVSA-N 383.433 2.811 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 4393248 KUGGZXDTDOYROY-YCCFLXJFSA-N 395.477 2.744 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 39995615 LUBBQEUCINJHQT-OXQOHEQNSA-N 384.505 2.886 0 40 GFAB Cc1ccc(C)c(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)c1 6331259 ZDHBBDUVOFENSZ-UHFFFAOYSA-N 375.494 2.913 0 40 GFAB O=C(CNC(=O)C1CCCCC1)NCC(=O)Nc1cc(Cl)ccc1Cl 14140817 UDAOZYPTFYHAIV-UHFFFAOYSA-N 386.279 2.745 0 40 GFAB CCOc1ccc(S(=O)(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)cc1 14157774 FPZOQBQRQHOEKV-UHFFFAOYSA-N 390.392 2.595 0 40 GFAB O=C(NC1CCCCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 6581755 XJLHCROEYFLPSN-UHFFFAOYSA-N 389.521 2.687 0 40 GFAB CCOC(=O)Nc1cccc(NC(=O)NC2CCN(C(=O)OC)CC2)c1C 66364695 JIIACWOTFVXMNS-UHFFFAOYSA-N 378.429 2.916 0 40 GFAB CNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccoc2C)n1C)c1ccccc1 4948101 BDCYQRRPGCBXIM-CQSZACIVSA-N 385.449 2.673 0 40 GFAB CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 6948231 COUIPISMOIKIRY-UHFFFAOYSA-N 377.466 2.763 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCc2cccc(OC)c2)cc1 67198612 RDAAPHXTUWZITA-UHFFFAOYSA-N 393.443 2.552 0 40 GFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 7051010 QLFVDBVZWFVCFI-UHFFFAOYSA-N 395.380 2.790 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc(N(C)C3CCCCC3)nc2N)cc1 67336287 PXDFDSPRVMHGMO-UHFFFAOYSA-N 376.482 2.669 0 40 GFAB COC(=O)c1cccc(Cn2cc(/C=C3/NC(=S)NC3=O)c3ccccc32)c1 408542300 KLGDALQMIXOTHY-LICLKQGHSA-N 391.452 2.821 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3Cl)cc2)C1=O 15842697 QBNWJRPNVSCCNY-LBPRGKRZSA-N 392.864 2.583 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccncc1 71334954 SZGQCTJEBUBFKG-CQSZACIVSA-N 387.871 2.594 0 40 GFAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3cc(F)ccc3F)C2=O)cc1 71327829 OBCAIDDILFXUPX-UHFFFAOYSA-N 387.386 2.980 0 40 GFAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(F)cc1 20046006 AVSQNMRBEOSJTO-QWHCGFSZSA-N 382.432 2.997 0 40 GFAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](Cc2ccncc2)C1 96007847 ZYGOVBJBRDVVBL-DLBZAZTESA-N 375.538 2.810 0 40 GFAB O=C(CN1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)NC1CCOCC1 96000505 DUXOHXJRTMZBQN-GOSISDBHSA-N 384.480 2.949 0 40 GFAB COc1ccccc1C(=O)N[C@@H](C(=O)NCCN1CCc2ccccc21)C(C)C 72306412 ZCECUHKMRCXJBG-OAQYLSRUSA-N 395.503 2.629 0 40 GFAB O=C(NC[C@H]1CCCCN1C(=O)NCCCN1CCCC1)Nc1ccccc1 95461056 SJUYSAZFBAHIJY-LJQANCHMSA-N 387.528 2.858 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 23692370 SGAYQKGHWUNHRE-UHFFFAOYSA-N 392.908 2.702 0 40 GFAB O=C(NC[C@@H]1CCCN(c2ccccn2)C1)Nc1ccc(-n2cncn2)cc1 95516314 LSQGZPGWVOHFIG-INIZCTEOSA-N 377.452 2.700 0 40 GFAB Cc1ccnc([C@@H](NC(=O)c2cc(I)c[nH]2)C2CC2)n1 95979735 RLAXNCLQCSTDEZ-LBPRGKRZSA-N 382.205 2.599 0 40 GFAB CSCc1noc(CCC(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)n1 89553084 IQXZPXMPTZPTLH-SECBINFHSA-N 385.392 2.714 0 40 GFAB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc2c(c1)OCO2 20152476 GERVJTFBCVCYTF-UHFFFAOYSA-N 378.793 2.894 0 40 GFAB CCOc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 39570401 UQQHDKIQPDCLKL-OAQYLSRUSA-N 382.416 2.744 0 40 GFAB O=C(NCc1ccc(OC2CCCC2)cc1)N1CCC[C@H](n2cc(CO)nn2)C1 520748182 UMBAXJJOXMFKQY-SFHVURJKSA-N 399.495 2.639 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 33796947 FDHFASSGJLEXLN-UHFFFAOYSA-N 389.839 2.659 0 40 GFAB O=C(c1cccc2ccccc12)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70974833 ZKOAIJSLACQIIT-UHFFFAOYSA-N 384.443 2.778 0 40 GFAB COc1ccccc1/C=C/C(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386181 BMWAXHJRMLYVLG-QFQMRYFISA-N 376.412 2.886 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc(C(=O)OC)c1 41285466 RYBUUYVLHBUBNW-GFCCVEGCSA-N 387.388 2.674 0 40 GFAB O=C(/C=C/c1cc(Br)ccc1F)N1CCN(C[C@H]2CCCO2)CC1 49586907 ORCRMGOCSUAHPM-WUTVXBCWSA-N 397.288 2.925 0 40 GFAB CCc1cc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1OC 223711525 UFARNRNJLGQHQM-UHFFFAOYSA-N 395.477 2.762 0 40 GFAB Cc1ccc(S(=O)(=O)n2c(NC[C@H]3CCCNC3)nc3ccccc32)cc1 43220498 ICCGJPRJZZEHSF-INIZCTEOSA-N 384.505 2.993 0 40 GFAB CN(C)[C@@H](CNC(=O)Cn1c(=O)oc2ccccc21)c1cn(C)c2ccccc12 77171664 ZEDXDGYFYAKFGP-IBGZPJMESA-N 392.459 2.505 0 40 GFAB COC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223419598 PLQWIZVTNAXPOY-UHFFFAOYSA-N 390.461 2.883 0 40 GFAB O=C(CCc1ccc2c(c1)OCCO2)NCc1cccc(CN2CCOCC2)c1 194607953 MRYWEAHAQSVGHF-UHFFFAOYSA-N 396.487 2.539 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@H](c2nc(C)cs2)C1 577845822 IGLWFTHORZMMHI-ZDUSSCGKSA-N 396.490 2.727 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1ccco1)NC2=O 247957487 PDUFOBXTUSCOGH-BTNSONSNSA-N 396.443 2.859 0 40 GFAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCc4ccccc4OC3)cc21 585079978 FBGJVIBGDZKYTM-AWEZNQCLSA-N 386.473 2.588 0 40 GFAB Cc1c(C(=O)N2CCC[C@@H]2c2cc[nH]n2)nnn1CCOc1ccc(F)cc1 585082055 VXZQICNEGCHPDJ-QGZVFWFLSA-N 384.415 2.505 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 257256129 KKFKWDJDDOPKGP-HNNXBMFYSA-N 379.482 2.838 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(CCO)Cc2ccncc2)[C@@H]1c1ccccc1F 257279541 OHCPVNJBZUHHQW-NQIIRXRSSA-N 399.466 2.541 0 40 GFAB Cc1sc(NC(=O)CN2CC[C@H](O)[C@]3(CCCO3)C2)nc1-c1ccccc1 257267575 MHXJDCGNAXZMOV-JXFKEZNVSA-N 387.505 2.673 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C1CN(c2cc(-c3ccccc3)ncn2)C1 253471494 CYSFURAYPMIOIM-UHFFFAOYSA-N 388.427 2.625 0 40 GFAB COC[C@]1(C(=O)O)CCN(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)C1 635513743 CSISHGIVDZZUNE-NQIIRXRSSA-N 383.448 2.612 0 40 GFAB Cc1cc(=NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)[nH]n1-c1cccc(C(F)(F)F)c1 652771069 UWGUFGDSOVXPHB-STQMWFEESA-N 394.397 2.852 0 40 GFAB COc1cc(-c2cnc3n2CCN(C(=O)c2sc(C)nc2C)CC3)ccn1 585111250 LDOFBCZHPYIHTF-UHFFFAOYSA-N 383.477 2.726 0 40 GFAB COc1cc2c(cc1OC)[C@@H]1CN(C(=O)OCc3ccccc3)CC(=O)N1CC2 72342192 UUJNXEAJDNSVCF-SFHVURJKSA-N 396.443 2.782 0 40 GFAB COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n(N)c2=O)cc1 5257176 KVTVMWNCMSNQMK-UHFFFAOYSA-N 388.880 2.897 0 40 GFAB O=C(Cc1cc(F)ccc1F)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084970 VBFKUORMAARNQQ-CQSZACIVSA-N 389.431 2.914 0 40 GFAB CN1CCCc2cc(CCNC(=O)C(=O)NCc3ccccc3Cl)ccc21 13006867 ASSNAXHIBHXHIU-UHFFFAOYSA-N 385.895 2.698 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(F)c(Cl)c1 13669770 DRJFHUVUTJDKRE-UHFFFAOYSA-N 382.844 2.834 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2C)cc1C 13673476 RKZXQYNRZYZKBE-UHFFFAOYSA-N 389.521 2.704 0 40 GFAB CCOc1ccccc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O 13675472 DMLAJZXDTWHHOC-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 15791215 YXYQDMPJRYWUTN-HNNXBMFYSA-N 376.478 2.869 0 40 GFAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 16400593 QVGQNSHEDJFBRQ-INIZCTEOSA-N 381.310 2.704 0 40 GFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C(C)=O)nc2C)c1 19754002 UHKLOQIURWYCPN-LJQANCHMSA-N 382.464 2.797 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1 8334299 QYXADHPDITXUFR-LPGQDOADSA-N 393.443 2.950 0 40 GFAB CN(C(=O)c1cc(C(F)(F)F)cnc1O)[C@@H]1CCN(c2ccccc2)C1=O 635547127 YGVZBIRTRHKIJE-CQSZACIVSA-N 379.338 2.684 0 40 GFAB O=S1(=O)N[C@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)Nc2ccccc21 13267396 FWZANFSFPOEFIR-OAQYLSRUSA-N 399.516 2.564 0 40 GFAB CC(C)n1c(N2C[C@@H]3CN(C(=O)c4cccnc4O)C[C@H]3C2)nc2ccccc21 1888897332 BBALFRGGVOBLRG-HOTGVXAUSA-N 391.475 2.926 0 40 GFAB Cn1ccc(Nc2ccc(C(=O)N[C@](C)(C(N)=O)c3cccc(Cl)c3)cc2)n1 1148313233 KNQUFHCUDLIXIO-FQEVSTJZSA-N 397.866 2.948 0 40 GFAB Cc1ccc2nc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)sc2c1 29245343 JJYCLERXDOQUPI-OAHLLOKOSA-N 397.435 2.803 0 40 GFAB COCCn1c(=S)[nH]c2cc(C(=O)NCc3ccc(OC)cc3)ccc2c1=O 3043685 NNOCOXLHIVHWBX-UHFFFAOYSA-N 399.472 2.644 0 40 GFAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)CCc2ccccc2Cl)C1 2055771467 AGJVZDWYNFGAHB-HXUWFJFHSA-N 388.899 2.575 0 40 GFAB CCN1CCN([C@@H](c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1 22458077 LGQWGYQIGWJXSZ-INIZCTEOSA-N 387.509 2.540 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(CCOc2ccccc2Cl)CC1 40024970 NLESPJODRKTPFO-KRWDZBQOSA-N 379.932 2.737 0 40 GFAB O=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2ccccc2O)CC1 40040168 SFNIVTMGMLZLID-QGZVFWFLSA-N 382.460 2.912 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C)nc3c1c(C)nn3C)CC2 31035874 CYVNYBLTLLZHDF-UHFFFAOYSA-N 380.448 2.801 0 40 GFAB biogenic COc1ccc(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cn1 11112504 RRAJIYNFVVQGBK-AWEZNQCLSA-N 377.853 2.863 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)Nc2ccc(OC)cc2)n1 11443728 NYZQTGQVTWARMY-UHFFFAOYSA-N 376.438 2.584 0 40 GFAB CCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 891190 WYEREHJIPRYYMR-UHFFFAOYSA-N 387.505 2.938 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 2098896 HCEAKIKVACDQQZ-ZPMCFJSWSA-N 390.524 2.985 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 101416297 MWPJGZIMRRIFHU-SJORKVTESA-N 397.822 2.580 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 7643076 BRAWXYUCBIAJKJ-UHFFFAOYSA-N 394.522 2.773 0 40 GFAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 7872003 MVKDJKYPOBDHHF-AWEZNQCLSA-N 396.509 2.889 0 40 GFAB COc1cccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)c1 7939885 LKEVKWAHXSPIHX-UHFFFAOYSA-N 376.453 2.796 0 40 GFAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670302 MTBYCWDSMMTWQY-LPHOPBHVSA-N 388.491 2.655 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 8415152 KRDKSMHDIHHVRP-UHFFFAOYSA-N 397.431 2.854 0 40 GFAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 8492489 WGZJRABAHBTATC-UHFFFAOYSA-N 387.457 2.747 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(Cl)ccc1-n1cnnn1 32939273 LYECOAGGIXRHTE-UHFFFAOYSA-N 396.838 2.804 0 40 GFAB CCn1cc(NC(=O)Cn2nnc3ccccc32)c(C(=O)Nc2ccccc2)n1 28306244 BBPITBZEEGAAHK-UHFFFAOYSA-N 389.419 2.539 0 40 GFAB COc1cccc([C@H]2c3c(-c4ccc(F)cc4)nnc(O)c3Nc3nnnn32)c1 9202030 KPZUGGZWFKRANG-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB CCn1c(S)nc2cc(C(=O)NCCc3cc(F)cc(F)c3)ccc2c1=O 103469635 MCGBXRHVLWDENC-UHFFFAOYSA-N 389.427 2.956 0 40 GFAB Cc1ccc(-n2c(SCCN3C(=O)CCC3=O)nnc2-c2ccncc2)cc1 23107456 GROCCSSBEOYVEC-UHFFFAOYSA-N 393.472 2.879 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccccc2Cl)C1=O 23324762 UDNLNSGVNDPHCZ-OXQOHEQNSA-N 388.851 2.685 0 40 GFAB CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 16088432 PGHHEAMNJMCXNB-UHFFFAOYSA-N 398.834 2.848 0 40 GFAB O=C(Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1)NC1CC1 54833586 XXKASHRTVPDKTH-QGZVFWFLSA-N 399.472 2.619 0 40 GFAB Cn1c(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc(Cl)c1Cl 47167772 YOAMLDHVFQPCRP-INIZCTEOSA-N 381.219 2.639 0 40 GFAB COc1ccc(CSc2nnc(Nc3ccc4c(c3)OCO4)c(=O)n2C)cc1 28538926 RCADPNLCBYVFBD-UHFFFAOYSA-N 398.444 2.949 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2cccc(F)c2)c(OC)c1 1353609 XRBXZEVKUIWZCK-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 24926406 QDONJDGMGNNKDH-SNVBAGLBSA-N 376.210 2.541 0 40 GFAB COc1ccc(C(=O)N2CCN(CCOc3ccccc3F)CC2)cc1OC 25282589 LJOALZZODWFXRR-UHFFFAOYSA-N 388.439 2.680 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CCO1 12558017 MWVPIPSMJYALDN-HNNXBMFYSA-N 395.488 2.669 0 40 GFAB Cc1ccc(F)cc1S(=O)(=O)NCc1cccc(C(=O)N2CCCC2)c1 56062701 NAKMQNFGEJSGBZ-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB O=C(NCc1ccncc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 58244736 OIYZEGKNNJHCKP-LJQANCHMSA-N 375.428 2.861 0 40 GFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c12 27807747 ZAWAMPGXNXHEOW-UHFFFAOYSA-N 388.387 2.959 0 40 GFAB COc1ccc([C@@H]2CCCN2CC(=O)NC(=O)NC2CCCC2)c(OC)c1 7739787 WTZIRRVHRWQUOO-KRWDZBQOSA-N 375.469 2.609 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)C12CC3CC(CC(C3)C1)C2 12680115 WIAUFQKVZAQHPG-IZLCJXSQSA-N 399.491 2.768 0 40 GFAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)coc2c1 7779207 LQYLTAFWPYNXJT-UHFFFAOYSA-N 397.383 2.937 0 40 GFAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c1 12985131 UDAHTVLRVSKYAJ-LAUBAEHRSA-N 388.464 2.520 0 40 GFAB Cc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1F 12922495 ROAHYBQQSYUPJC-AWEZNQCLSA-N 383.423 2.970 0 40 GFAB O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccc3c(c2)OCO3)o1 3572712 MRQPUKOSRBMLKF-UHFFFAOYSA-N 395.396 2.854 0 40 GFAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 8071841 STXSVAIPRZDWBK-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB CC[C@H](C)N(C(=O)CSc1ncnc2sccc12)[C@H]1CCS(=O)(=O)C1 6115571 LZFKVPFSOJYNHO-RYUDHWBXSA-N 399.563 2.598 0 40 GFAB CSc1nnc(SCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)s1 5262699 NOFIXVUPXGOKCD-UHFFFAOYSA-N 389.549 2.631 0 40 GFAB O=C1CSC(=O)N1[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 28284000 XWWUGMFMOOXMAJ-CHWSQXEVSA-N 388.898 2.625 0 40 GFAB CCOC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 5362794 DEWKWHABOAEMSX-UHFFFAOYSA-N 394.456 2.748 0 40 GFAB C[C@@H](CC(=O)NCc1ccco1)CC(=O)N1CCN(c2ccccc2F)CC1 4677735 XFCWWAZLEIMTCX-INIZCTEOSA-N 387.455 2.800 0 40 GFAB COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 6759353 BGRXVSAHQBTQHZ-NRFANRHFSA-N 398.459 2.924 0 40 GFAB biogenic CCOc1ccc([C@@H]2NC(=O)NC(CN3CCCCCC3)=C2C(=O)OC)cc1 67287179 JEXXEZGRTMNGQL-IBGZPJMESA-N 387.480 2.742 0 40 GFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1 7129610 SRWKPXADNMVOGU-UHFFFAOYSA-N 391.471 2.561 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(OCc2cscn2)c1 8849112 FNRXMPOKFVGCKX-UHFFFAOYSA-N 378.417 2.950 0 40 GFAB O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1CCCN(C(=O)c2cccs2)C1 89799906 FIANRUOZJRHWAN-HZPDHXFCSA-N 375.538 2.733 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(F)c(F)c1)CC(O)=N2 71282848 AAKTTWBIVJEDMV-VXGBXAGGSA-N 381.404 2.953 0 40 GFAB COC(=O)[C@@H](C)NC(=O)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 71328761 YGRITGMEXQFKAN-LLVKDONJSA-N 390.802 2.747 0 40 GFAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccccc1F 71328302 CHFGVUAXNOOQFV-UHFFFAOYSA-N 393.378 2.841 0 40 GFAB COC(=O)c1c(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)sc2c1CCCC2 19902531 WAIOBTQWSXYPRE-CHWSQXEVSA-N 380.510 2.851 0 40 GFAB Cc1cc(C)n(-c2ccc(CN3CCC(OCCN4CCOCC4)CC3)cc2)n1 72309402 UVPKUMXQPWOIKP-UHFFFAOYSA-N 398.551 2.802 0 40 GFAB COc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)cc1C 72414462 CLAHZAVPCHQZFN-UHFFFAOYSA-N 379.478 2.850 0 40 GFAB COc1ccccc1C[C@H]1CCCN1C(=O)NCC1(N(C)C)CCOCC1 73236903 OEANEKCEIPMXKU-GOSISDBHSA-N 375.513 2.523 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 9918753 CAMQOYWWFRJDGL-UHFFFAOYSA-N 388.489 2.598 0 40 GFAB CC(C)OCCN1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 79093252 XUWXQOMDWNZHPY-UHFFFAOYSA-N 397.560 2.641 0 40 GFAB CCOc1ccc(CN2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)cc1 22428808 YQNQWFNPIXGJEL-UHFFFAOYSA-N 382.464 2.534 0 40 GFAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCC(C)C)cc1 408710288 WBXIIEIIISRHPV-UHFFFAOYSA-N 381.476 2.890 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1C(=O)NCCc1ccccc1 527557197 TYNFBMWBJCSNNM-YLJYHZDGSA-N 395.503 2.625 0 40 GFAB CCS(=O)(=O)N1CCC(c2nnc(Cc3ccc(OC)cc3)s2)CC1 38900795 NEYWRCDCRKRYNP-UHFFFAOYSA-N 381.523 2.667 0 40 GFAB COCCn1ccc2c(NC(=O)Cn3nc4c(cc3=O)CCCCC4)cccc21 71285592 YOGFFRSIMPRVIO-UHFFFAOYSA-N 394.475 2.752 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 33750503 YMLNYUYHOASYBK-UHFFFAOYSA-N 379.338 2.707 0 40 GFAB CSc1ccc(CCC(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc1 670625704 PNQHTUORFKMGEJ-UHFFFAOYSA-N 398.532 2.947 0 40 GFAB O=C(NCCCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225541318 XLHLWEYRZOZEKG-HNNXBMFYSA-N 394.468 2.568 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 223623124 XGBPXNQGCCFDLK-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 96240999 KPHNNYVJBABWOL-SFHVURJKSA-N 383.423 2.728 0 40 GFAB CCn1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4ccccc4F)nn3)C2)n1 90591836 IBHHEZHIWUJNGE-CQSZACIVSA-N 380.427 2.508 0 40 GFAB CO[C@H](CS(=O)(=O)N[C@@H]1Cc2ccccc2[C@@H]1OC)c1ccc(F)cc1 528412565 DTVNTLXRXHLASF-QRVBRYPASA-N 379.453 2.745 0 40 GFAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cc[nH]n1)C3 257326594 WXUMALUVNZXDBF-WMLDXEAASA-N 383.448 2.809 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)c2ccc3ccccc3n2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257258013 KSAULPBEYLFDOX-PIBIMKELSA-N 395.503 2.895 0 40 GFAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCCCc1ccccc1F 252501134 UCWHSMZRIVETRS-UHFFFAOYSA-N 386.402 2.884 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3ccnnc3)C2)ncn1 257337935 YVBQUJVWTCEMSA-OAHLLOKOSA-N 378.436 2.633 0 40 GFAB O=C(CN1CCCCCC1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257206915 BFLQCOQXZCZLOW-KRWDZBQOSA-N 382.512 2.524 0 40 GFAB O=C1COc2ccc(Cl)cc2CN1CCNC(=O)C1(c2ccccc2)CC1 253472017 HUZNZPNMUMKUJW-UHFFFAOYSA-N 384.863 2.909 0 40 GFAB COC(=O)Cc1occc1C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 600234980 WIRBTHZPDSCHSK-MLGOLLRUSA-N 383.322 2.660 0 40 GFAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3cccc(C)c3)CCC1)C2 671886863 ROLMIWXTMXJMSM-UHFFFAOYSA-N 398.528 2.910 0 40 GFAB O=C(CSc1ccncc1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390832399 ZGDKHBJUJMQJHJ-OAHLLOKOSA-N 382.532 2.624 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](OCCO)c2ccc(C)cc2)cc1Cl 96338093 ILKIXCYDYATJEZ-SFHVURJKSA-N 399.896 2.686 0 40 GFAB Oc1ccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1 585286020 GURXIRGLQVJJOP-OALUTQOASA-N 381.831 2.561 0 40 GFAB O=C(NCc1ccccc1CO)Nc1cc(Cl)ccc1N1CCOCC1 58377693 JXJANYFJOXPNMX-UHFFFAOYSA-N 375.856 2.991 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327099 IECHJKQKADOOOT-HDICACEKSA-N 395.551 2.756 0 40 GFAB Ic1cnc(NC[C@H]2CCO[C@@H]2c2ccccc2)nc1 548661495 GINVICFUBTZZMR-TZMCWYRMSA-N 381.217 3.271 0 40 GFAB Cc1cc2cc(NC(=O)N3CCC([C@H]4OCCC[C@@H]4N)CC3)ccc2n(C)c1=O 580880717 KPMYNFNAJJFSIC-AZUAARDMSA-N 398.507 2.597 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1C 5614884 UWLOHNZGJBBULC-PKNBQFBNSA-N 384.501 2.850 0 40 GFAB CC(=O)c1sc(C2CCN(C(=O)CSc3nnc(C)o3)CC2)nc1C 12750665 UVMTYDYMAULUAN-UHFFFAOYSA-N 380.495 2.844 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585738 VSEUONMLWWXHPL-UHFFFAOYSA-N 392.458 2.535 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19078093 VUBRITNJHUERHP-OAHLLOKOSA-N 398.482 2.777 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19079468 BLQXLSGGPUNINR-HNNXBMFYSA-N 398.482 2.777 0 40 GFAB Cc1cccc(C2(CNC(=O)c3ccoc3CN3CCOCC3)CCOCC2)c1 19234559 AMJAYRIXUXHYIL-UHFFFAOYSA-N 398.503 2.898 0 40 GFAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1cc3ncccn3n1)C2 19562487 SNMAVPUMYQAKGB-HXUWFJFHSA-N 392.459 2.732 0 40 GFAB COCCOc1ccc(CN2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 19593684 GHCCHZQMFCYIJW-MRXNPFEDSA-N 381.436 2.541 0 40 GFAB CC1(C)Cc2cc(CN3CCC[C@@H](c4nnc5n4CCNCC5)C3)ccc2O1 19709238 FTULYDTWVCYYRC-QGZVFWFLSA-N 381.524 2.517 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nc[nH]n3)c(=O)c2c1-c1cccc(Cl)c1 19821622 VJQHVUJUAIMNBL-UHFFFAOYSA-N 395.806 2.919 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1 8377033 LHKCJCBJPNMXIU-UXBLZVDNSA-N 399.266 2.944 0 40 GFAB CC(=O)c1ccc(CCNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)s1 225674495 ZIRGDTPREGVUBR-UGSOOPFHSA-N 383.535 2.808 0 40 GFAB O=C(Cn1ccnc1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573874 OIGYGTOMBOIAFT-UHFFFAOYSA-N 394.431 2.508 0 40 GFAB CN(C)c1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19585519 KIRWDXGUBQEDNB-HNNXBMFYSA-N 396.520 2.734 0 40 GFAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc3ncn(C)c3c2)CC1=O 19715172 DZROBJXRSVCJNA-CQSZACIVSA-N 378.432 2.882 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CC[C@@H](n2cc(C3CC3)nn2)C1 253473634 WVNMZLLPSQFEEY-GFCCVEGCSA-N 397.298 2.554 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3459644 UUNRYPUVFDHGCL-LJQANCHMSA-N 389.358 2.694 0 40 GFAB CC(=O)c1c(C)cc(C)c(COC(=O)C2CCN(S(C)(=O)=O)CC2)c1C 21933006 QAISBUXLRJAYGJ-UHFFFAOYSA-N 381.494 2.529 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)cc3C)OC2=O)cc1 8838596 IKSPQLFLGHMIRR-QGZVFWFLSA-N 390.461 2.616 0 40 GFAB COCCn1cc(C(=O)N2CCCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661551 DEQLZKLMENLMCY-UHFFFAOYSA-N 394.475 2.801 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)C1 11856490 KSDBIXYWLQDCOI-MRXNPFEDSA-N 385.416 2.634 0 40 GFAB Cc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)c2ccccc2)c3=O)cc1 12233769 XWEDNUSVEVDEQP-OAHLLOKOSA-N 375.432 2.589 0 40 GFAB Cc1nc(SCc2nc(-c3cccc(Cl)c3)no2)[nH]c(=O)c1CCO 12415032 XITDMRYRBAUYHB-UHFFFAOYSA-N 378.841 2.609 0 40 GFAB Cc1cc(NC(=O)Cc2cccc3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 17011616 PHMULGVCCZVYAB-KRWDZBQOSA-N 383.473 2.886 0 40 GFAB O=C(CCC1CCCCC1)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 20530799 WOWCFPZUMGOWFN-UHFFFAOYSA-N 397.519 2.787 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccco2)o1 1775965430 OXHJEKLQCKXZFE-AWEZNQCLSA-N 393.465 2.946 0 40 GFAB C[C@@H](O)CNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 101282264 QLDGDQXUSWWSHA-LLVKDONJSA-N 396.834 2.583 0 40 GFAB CCOC(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 3045624 ROKQITKABXDWKN-HOCLYGCPSA-N 397.500 2.841 0 40 GFAB COc1ccc(-n2nc(C(=O)NCCCN(C)C)nc2-c2ccccc2)cc1 20215518 MPOSJLZIPWPJAD-UHFFFAOYSA-N 379.464 2.624 0 40 GFAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(-n3cccn3)c(F)c2)C1=O 40150945 DIFZCGUCWIYATN-CYBMUJFWSA-N 380.379 2.764 0 40 GFAB Nc1nc(=O)n(CC(=O)NCc2ccccc2)c2sc3c(c12)CCCCC3 40286827 GOLCTKPEUMPQBB-UHFFFAOYSA-N 382.489 2.626 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc3ccccc3s2)cc1 36621887 VQVGYSKTFQZHIT-UHFFFAOYSA-N 389.502 2.542 0 40 GFAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(-n2cc(C(N)=O)nn2)cc1 45855453 HCGCPUBLEVDGJE-OAHLLOKOSA-N 399.454 2.939 0 40 GFAB Cc1cccc(OCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)c1 4161335 RRMYHSDZFCFYKH-UHFFFAOYSA-N 390.494 2.593 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2sccc2C(N)=O)c1 7718323 XWEFMZOVDNIPSF-OAHLLOKOSA-N 389.477 2.640 0 40 GFAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 6155047 RUVMADFJLGJZLA-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NS(=O)(=O)c1ccccc1 6623190 CHZDQLNFFMOZOD-UHFFFAOYSA-N 385.445 2.958 0 40 GFAB COC(=O)c1ccc(COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)o1 21331431 CTFISYIMFQORDX-UHFFFAOYSA-N 384.388 2.526 0 40 GFAB CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795681 SPYJIQIOKNRNCY-OAQYLSRUSA-N 391.515 2.906 0 40 GFAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 52415923 FHFXIVLBHASKHK-SECBINFHSA-N 376.356 2.651 0 40 GFAB Cc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1C 33024223 DCHLYIOXEMYIFN-LJQANCHMSA-N 383.492 2.970 0 40 GFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(SC)cc3)n2)c1 104571193 MIYOJVVAEVYAMP-UHFFFAOYSA-N 391.474 2.946 0 40 GFAB Cc1ccc(Cn2ccs/c2=N/C(=O)c2n[nH]c(=O)c3ccccc23)cc1 102915115 ZIFHGZBRBHPXTO-QZQOTICOSA-N 376.441 2.884 0 40 GFAB CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3)C[C@@]2(O)C(F)F)n1 33435766 LHCCXSIWLUXTAE-QGZVFWFLSA-N 397.403 2.897 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1 22377825 KMFNPQDEENBMFN-UHFFFAOYSA-N 386.433 2.679 0 40 GFAB COc1ccc(CCNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 22384219 SBQVQJQZROYACR-UHFFFAOYSA-N 393.484 2.509 0 40 GFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CCc1ccccc1 792442 ITAQGXQMXQXNQL-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccccc2CC)c(=O)c1=O 22724959 KYTYKZBNOGWGHH-UHFFFAOYSA-N 393.443 2.599 0 40 GFAB NC(=O)c1c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)sc2c1CCCC2 23079060 FUBYBLBLUYKPIG-UHFFFAOYSA-N 396.472 2.534 0 40 GFAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 107604014 LKKBZBHLUPDBCE-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCCN(C)c1ccccc1 58045306 DTWCGDRALBNSQI-HXUWFJFHSA-N 396.470 2.547 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1 23762492 HYKVGJBWBTUQDQ-QGZVFWFLSA-N 378.494 2.557 0 40 GFAB CCOc1ccc(NC(=O)c2cc(C)on2)cc1S(=O)(=O)N(CC)CC 24038677 CFAYVNDOKKNXFC-UHFFFAOYSA-N 381.454 2.665 0 40 GFAB Cc1ncc(C[n+]2csc(CCOC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C)c(N)n1 100454265 CYBLJVGBDWMZJC-INMHGKMJSA-N 387.529 2.595 0 40 GFAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)C1 106133933 WPFWNQYXSRKMEU-VQIMIIECSA-N 379.460 2.642 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC1(c2ccc(Cl)cc2)CCC1 56379011 DIRRTNGIZHGIEQ-UHFFFAOYSA-N 397.862 2.929 0 40 GFAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1 12561134 GEOJQZWZCGTYIT-FMIVXFBMSA-N 376.503 2.980 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473054 GTFYCUUARMMPNS-AWEZNQCLSA-N 399.878 2.780 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O 57526095 AMVHCAZIPVZQHB-UHFFFAOYSA-N 383.423 2.987 0 40 GFAB O=C(Nc1ccccc1O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58186429 PQKUESBHJQEDNG-JKSUJKDBSA-N 377.400 2.605 0 40 GFAB NC(=O)C1(N2CCCCC2)CCN(Cc2ccc(Br)cc2)CC1 2194960 CECIMEPAGXZGOA-UHFFFAOYSA-N 380.330 2.755 0 40 GFAB C[C@H](CN1CCCC1=O)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 58377541 VFLMBCXEVIDCDM-QGZVFWFLSA-N 377.488 2.990 0 40 GFAB CC(=O)c1ccccc1NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 3504709 OBCBDBPFYBQKCF-KRWDZBQOSA-N 398.440 2.874 0 40 GFAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13029049 QQUXEUCESSVTDF-UHFFFAOYSA-N 375.811 2.687 0 40 GFAB CNS(=O)(=O)c1cc(/C=C/C(=O)N[C@@H](C)c2cccs2)ccc1OC 13098984 HRRUZXQOENUYNW-CRALRDPISA-N 380.491 2.555 0 40 GFAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NCc5cccnc5)nc4c3c2C1 13207140 FSDWNWKMMXVGPK-LLVKDONJSA-N 378.461 2.789 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c(C)c1 13360216 RPECOYMOCYLGIN-UHFFFAOYSA-N 390.461 2.617 0 40 GFAB Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)n3nccc32)c2c(C)nn(C)c2n1 17077342 AQBYCSLPDQNGKL-GFCCVEGCSA-N 378.358 2.936 0 40 GFAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)c1 13551906 XGXTUOXLOSAQPF-UHFFFAOYSA-N 389.458 2.773 0 40 GFAB CCCCN1C(=O)[C@@](NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1O 13570347 HRQYPPPPCOKKIK-AWEZNQCLSA-N 377.750 2.885 0 40 GFAB Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 4165967 GAVCWFLTHGMKAJ-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(F)c1 5065602 HBNGTLOTIJVEOK-NHYWBVRUSA-N 378.425 2.664 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CCCn1c(=O)oc2ccccc21 14229952 KRYNRFLGTNUUPR-UHFFFAOYSA-N 381.432 2.746 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 4699077 DNPDDUXWIKHLIU-DHDCSXOGSA-N 385.807 2.885 0 40 GFAB NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 8727124 NILYSPCHUAMBIA-UHFFFAOYSA-N 386.395 2.772 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 18217654 QYYBSFVWDOJEEL-NSHDSACASA-N 375.787 2.570 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O 9609784 SOYMCAKAUXKHCR-IBGZPJMESA-N 381.344 2.631 0 40 GFAB C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(NC(N)=O)cc1 89920285 WRUOVZFVGLVHJN-CHWSQXEVSA-N 376.457 2.553 0 40 GFAB O=C(CCNC(=O)c1ccco1)Nc1cc2c(cc1Br)OCCO2 9500820 GIFJTXQBWXQXPH-UHFFFAOYSA-N 395.209 2.572 0 40 GFAB C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc2c(c1)OCO2 97231120 NCNLSKFGCUTTIO-UONOGXRCSA-N 391.468 2.955 0 40 GFAB COC(=O)CCCc1nc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)no1 78806202 HNBZIQQSCSXVSE-AWEZNQCLSA-N 383.452 2.821 0 40 GFAB CN(C1CCOCC1)S(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 95399824 CSNRRUZKOILRPP-UHFFFAOYSA-N 375.494 2.613 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C2(C)OCCO2)CC1 79073780 QXJJCIWYGCSZBQ-MRXNPFEDSA-N 382.501 2.778 0 40 GFAB Cc1cccn2cc(COc3ccccc3C(=O)NC3CCS(=O)CC3)nc12 95458521 WHVDGPWVQXCCIM-UHFFFAOYSA-N 397.500 2.863 0 40 GFAB Cc1nc(CCNC(=O)/C=C/c2ccc(I)o2)c(C)o1 89547982 MZAVIDBJKIPPIH-GQCTYLIASA-N 386.189 2.861 0 40 GFAB Cc1ncsc1CN1CC2(C[C@H](COc3ncccc3F)CCN2C)C1 306132278 LDNWWWVHUWUSNC-OAHLLOKOSA-N 376.501 2.961 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)COc1cn(C)c(C)cc1=O 524733297 DZQRPEMWQJHBSC-SFHVURJKSA-N 395.459 2.756 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1 32617245 ODQLENGDANKNEV-UHFFFAOYSA-N 385.445 2.682 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cccc(C)c2C)CC1 32396374 HBTOSEUPDUAGLB-UHFFFAOYSA-N 389.496 2.551 0 40 GFAB COc1ccccc1-c1noc([C@@H](C)NC(=O)N2CCCc3c(cnn3C)C2)n1 563325299 OGLOKUCJVBEJBA-CYBMUJFWSA-N 396.451 2.698 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 568730704 VRSUKNPVFGOCDJ-XBVQOTNRSA-N 384.929 2.668 0 40 GFAB CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(S(C)(=O)=O)cc1 225726195 SLBGKHGHIHBTPA-CQSZACIVSA-N 379.507 2.931 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OC 222920808 JEJUTTKRISDSFS-CQSZACIVSA-N 388.489 2.975 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 223586451 HHMIGTUPBBTSJH-OALUTQOASA-N 382.464 2.976 0 40 GFAB Cc1nc(C)c(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)s1 49449736 GHSYMVRJQNWFMP-UHFFFAOYSA-N 392.462 2.612 0 40 GFAB Cc1n[nH]c(-c2ccc(S(=O)(=O)Nc3ccccc3C(N)=O)s2)c1C 40267720 YIXAFQNNOVNYBA-UHFFFAOYSA-N 376.463 2.655 0 40 GFAB COc1ccc([C@H](CC(=O)N[C@@H](C)c2ccccc2)NS(C)(=O)=O)cc1 225954860 BOOAEASSILKGKE-KSSFIOAISA-N 376.478 2.553 0 40 GFAB O=C(NCC1=CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 224105407 QLMVLXSABLGIFE-UHFFFAOYSA-N 398.912 2.591 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239016 XSRAFNQZLZMLDQ-JOCHJYFZSA-N 378.428 2.613 0 40 GFAB Cc1cc(C(=O)N2CCCc3occc3C2)cc(S(=O)(=O)N(C)C)c1C 585083585 JEJFRWXUKYNMET-UHFFFAOYSA-N 376.478 2.735 0 40 GFAB O=C(O)c1ccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 262488221 WZDXHGYHUNOLAQ-UHFFFAOYSA-N 394.880 2.545 0 40 GFAB CN(C(=O)CCSCc1nc(O)c2ccccc2n1)[C@@H]1CN2CCC1CC2 610064934 RXQWHWLEKOQQDM-QGZVFWFLSA-N 386.521 2.511 0 40 GFAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ncc(C3CCOCC3)s2)C1 626577465 BVJHPBAYDKJFQO-OWCLPIDISA-N 394.541 2.800 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104368 FLFCAMAKNNISGN-UHFFFAOYSA-N 391.468 2.788 0 40 GFAB COc1ccc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)cc1 585105034 OCIDHICPYKUGAH-GOSISDBHSA-N 377.506 2.839 0 40 GFAB Cc1cccc(C)c1[C@@H](C)NC(=O)Cn1cnc2c1CCNC21CCOCC1 1615553723 YMPSYTUZSKNIBY-QGZVFWFLSA-N 382.508 2.529 0 40 GFAB COCCN1CN(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 5156312 OVCPOKUMKKDBAH-UHFFFAOYSA-N 398.488 2.866 0 40 GFAB COc1ccccc1CN(Cc1ccnc(N2CCOCC2)n1)C[C@H]1CCCO1 12187612 DRQYNLOCJLKZLT-HXUWFJFHSA-N 398.507 2.503 0 40 GFAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2C)c1 13670170 CTPXZHGLIWZKQZ-UHFFFAOYSA-N 389.521 2.704 0 40 GFAB CCc1ccccc1NC(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701049 VVDHFMDGLYMUIR-UHFFFAOYSA-N 391.479 2.918 0 40 GFAB CCNCc1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(OC)c1 16681759 WUGLXBLXXCHWKF-UHFFFAOYSA-N 386.448 2.999 0 40 GFAB COc1cccc(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)c1 19239245 MJLZWJFUWWRVGF-UHFFFAOYSA-N 379.420 2.863 0 40 GFAB Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NC[C@@]2(C)CCCO2)n1 19655848 OQIMZAXRWDJAQC-OAQYLSRUSA-N 379.464 2.833 0 40 GFAB O=C(CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1)N1CCCC1 19703668 JTQAYQCWUHAZKL-LJQANCHMSA-N 386.471 2.930 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)[C@H]4CCOC4)CC3)nc2cc1OC 12230947 GTRJYDDAQPLPJM-AWEZNQCLSA-N 385.464 2.577 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)s1 252523068 BUNWOZIZEQHZSB-UHFFFAOYSA-N 394.518 2.567 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3cccnc3O[C@H]3CCOC3)CC2)n1 253400340 LECFPCNDFMJODW-KRWDZBQOSA-N 383.448 2.636 0 40 GFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Nc3cccs3)CC2)c1=O 575606389 JCTQTCLKKONWNS-UHFFFAOYSA-N 375.376 2.531 0 40 GFAB O=C(c1ccccn1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995348 PDVNDQFHTFJFIY-GFCCVEGCSA-N 377.242 2.565 0 40 GFAB CCn1ccnc1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988779 HYBWUHUWLQVXRX-NRFANRHFSA-N 386.471 2.830 0 40 GFAB Oc1c([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4O)OCO5)OC[C@H]23)ccc2c1OCO2 14435399 CNUBEERPZWNIEK-GNTOHDJUSA-N 386.356 2.630 0 40 GFAB biogenic,in-vitro COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1 4328053 BJDPPYDYSZHLAZ-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C 9036545 MUONSPUNTHUCEQ-HNNXBMFYSA-N 376.453 2.774 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15105975 HTMIVWKRALTAAE-SFGWALBWSA-N 393.443 2.823 0 40 GFAB COc1ccccc1C1(CNC(=O)C(=O)Nc2ccccc2F)CCOCC1 16975642 HEJDKINCJCJZIJ-UHFFFAOYSA-N 386.423 2.637 0 40 GFAB Cn1nc(NC(=O)COc2ccccc2F)c2c1NC(=O)C[C@H]2c1ccco1 35597883 FFVOIOHCAKDPGX-NSHDSACASA-N 384.367 2.644 0 40 GFAB CN(C)CCCN[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 56964132 MIHJKKLTYAJZEH-LJQANCHMSA-N 385.464 2.802 0 40 GFAB O=C(NCC[C@H](O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77115694 JFNIDCIMWILHSJ-LBPRGKRZSA-N 388.367 2.825 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COCC1CC1 40129238 CJKMCTOAYGZVRX-UHFFFAOYSA-N 396.509 2.625 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2cccc(Cl)c2)c2ccccc2O1 11228790 VQDPYLWFYLEQRY-SFHVURJKSA-N 388.851 2.739 0 40 GFAB O=C(NCCCOC1CCCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1 11356305 UWCHOSPZLKZJBA-UHFFFAOYSA-N 380.510 2.597 0 40 GFAB NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1 676174 GDEGVKPISSCCCL-UHFFFAOYSA-N 378.461 2.506 0 40 GFAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCC3)cc2c1 892799 KFDVDCDKSVQDBN-LJQANCHMSA-N 394.479 2.824 0 40 GFAB COc1cccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)c1 932253 NINLYLRGDBASKU-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB COP(=O)(OC)[C@H](O)C(Br)(Br)Br 2042631 XDEUQGWSPGVPSM-VKHMYHEASA-N 390.790 2.629 0 40 GFAB O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3523393 ZDQVYCFHONWXCN-AWEZNQCLSA-N 386.835 2.781 0 40 GFAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 4151143 GDCZQRJGPIDFRI-QXSJWSMHSA-N 399.274 2.520 0 40 GFAB O=C(c1ccc(F)cc1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101667365 NBRHEXNUUSEVPZ-UHFFFAOYSA-N 395.434 2.802 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1C(=O)c2ccccc2S1(=O)=O 4940767 YTXJNQZEFJNXCX-VIFPVBQESA-N 382.800 2.651 0 40 GFAB CCCn1[nH]cc/c1=N\C(=O)CN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 101960316 MQEGNYVPZBZUCY-VUSLFOADSA-N 386.496 2.635 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCC1 6841772 VHVDUBABPKUURG-QGZVFWFLSA-N 384.567 2.844 0 40 GFAB Cc1nc2cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 32718822 SDQRYLKWGHMFPQ-QGZVFWFLSA-N 383.473 2.593 0 40 GFAB C[C@H]1CCCCN1C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 32863638 LZSXTKKEPFSZFF-LBPRGKRZSA-N 396.417 2.761 0 40 GFAB Cc1ccc(CCC2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 32895797 AGVPLWWAKNVWBO-QZTJIDSGSA-N 380.554 2.994 0 40 GFAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1 8113232 MGOFHAOKEIUBHW-UHFFFAOYSA-N 386.473 2.720 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 8433848 IGOJBYYPYMPHQD-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(=O)N(C)C)cc2)no1 32879663 GHVDDJZBZFBURD-UHFFFAOYSA-N 380.404 2.911 0 40 GFAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1ccc2c(c1)OCO2 11999396 TWDUZNSEUISIEM-QGZVFWFLSA-N 392.452 2.670 0 40 GFAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc3cnccc23)cc1 32936950 RAZQVTALXIQREC-UHFFFAOYSA-N 395.484 2.948 0 40 GFAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3cccc(Cl)c3)cc2)CC1 21821388 ZMPPGSNFDDJYHX-UHFFFAOYSA-N 394.880 2.776 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](NCCN1CCOCC1)c1ccccc1 22038921 KHKYVUVOYAFRNX-NRFANRHFSA-N 383.492 2.687 0 40 GFAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCCc1c[nH]nc1C(F)(F)F 104266151 QLCRBEMNLLFVBZ-LHJMJDNXSA-N 391.415 2.772 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2cccnc2)N2NC(SCc3ccccc3F)=NC2=N1 958578 CWOVTGSYVSWBHN-MRXNPFEDSA-N 396.451 2.500 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 23272918 HGCYEVKXSKNXES-INIZCTEOSA-N 398.434 2.999 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1C)N(c1ccccc1F)S(C)(=O)=O 113968104 UQFCHRZKSHSLJO-QGZVFWFLSA-N 378.469 2.995 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC(c3nc(C)no3)CC2)c1 54678431 ZQDGTFJSFIMDGS-UHFFFAOYSA-N 399.495 2.678 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 47238928 AYEJELNRHZWLRL-INIZCTEOSA-N 381.432 2.652 0 40 GFAB Cc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc2ncn(C)c(=O)c12 17574469 UWUKMTHVTGMTFI-UHFFFAOYSA-N 382.449 2.881 0 40 GFAB CCc1ccccc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209489 IKZFNTCAFHVZEG-GOSISDBHSA-N 386.473 2.876 0 40 GFAB Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1 100727692 OBNWEUNIRFREEL-OALUTQOASA-N 376.460 2.938 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 1401394 JABZTSRRKNJFRI-UHFFFAOYSA-N 392.330 2.641 0 40 GFAB O=C(CN1CC=C(c2ccc(O)cc2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 25680436 DGIYQDOBSZZDDC-UHFFFAOYSA-N 395.415 2.558 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 57427201 ZGWCASYHFJGAFA-UHFFFAOYSA-N 393.415 2.942 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57485900 DNDBNEQGLWHFTE-UHFFFAOYSA-N 383.473 2.762 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 12526424 MGPDXFKBRIOGHG-HNNXBMFYSA-N 392.452 2.844 0 40 GFAB Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1F 27024384 NGUQZFLGEBLUER-UHFFFAOYSA-N 382.432 2.648 0 40 GFAB COC(=O)[C@](NNc1ccccc1)(NC(=O)c1ccccc1F)C(F)(F)F 2050528 SSHFNERZRVBJNX-MRXNPFEDSA-N 385.317 2.604 0 40 GFAB O=C(CCc1ccc(F)cc1)Nc1cc(N2CCCS2(=O)=O)ccc1O 58159751 ROZWOWNMWCVRJO-UHFFFAOYSA-N 378.425 2.643 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccccc1OC)C(F)(F)F 2323072 JSAIIBOELHGDFJ-INIZCTEOSA-N 386.326 2.952 0 40 GFAB CCCCN(C(=O)c1cc2ccccc2o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3350831 SDVGCLLEOGCKKM-UHFFFAOYSA-N 398.463 2.968 0 40 GFAB Cn1ccnc1[C@](O)(CCNCc1ccc(-n2cccn2)cc1)C(F)(F)F 48366185 XBZKUCVRYALSAF-QGZVFWFLSA-N 379.386 2.536 0 40 GFAB O=C1CN(C(=O)COC(=O)c2ccc3ccccc3c2O)c2ccccc2N1 3438762 UMJHRCZFPMJIHM-UHFFFAOYSA-N 376.368 2.688 0 40 GFAB CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)c(Cl)c2)NC(=O)N[C@H]1C 13039450 BFKVOZHWYGGEHH-JTQLQIEISA-N 386.279 2.944 0 40 GFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 8751829 FUZFDTLPEBWPSW-LJQANCHMSA-N 397.544 2.991 0 40 GFAB COc1cc2nc(CSc3nnc4n3CCCCC4)[nH]c(=O)c2cc1OC 6097924 NNTFVKHGVROSKC-UHFFFAOYSA-N 387.465 2.551 0 40 GFAB COc1ccc(Br)cc1C(=O)CCC(=O)O[C@H](C)C(=O)NC1CC1 39514841 RIFMRGRBIYASQA-SNVBAGLBSA-N 398.253 2.631 0 40 GFAB COc1ccc(CNC(=O)CSc2nc(CC3CCCC3)n[nH]2)cc1OC 8735355 FFJRBECWFIRXNY-UHFFFAOYSA-N 390.509 2.963 0 40 GFAB COC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 5177967 JIOWDABCXAKUTG-DOTOQJQBSA-N 397.818 2.556 0 40 GFAB Cc1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)c1 65197782 GNIMOTXCSCQCJN-UHFFFAOYSA-N 382.395 2.690 0 40 GFAB O=C(NCc1ccc(F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 6344539 SNALXXRKTUEMRV-GOSISDBHSA-N 376.453 2.685 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1C 21137376 RHTVBSVJDRSYLK-INIZCTEOSA-N 384.432 2.769 0 40 GFAB COc1ccc(O)c(C(=O)c2cnn(C(=O)CSc3nc(C)cc(C)n3)c2)c1 14160672 FHJXDVZKGFWWQE-UHFFFAOYSA-N 398.444 2.668 0 40 GFAB Cc1nc2ccccc2nc1SCC(=O)N1CCN(c2ccccn2)CC1 19141769 FDZXFDVCNVZERJ-UHFFFAOYSA-N 379.489 2.774 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1OC 4574948 SHABOTKUXPOBEM-UHFFFAOYSA-N 390.505 2.832 0 40 GFAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 8922531 OZBSITGMZSQTSW-UHFFFAOYSA-N 398.507 2.784 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@H]1CCSc2ccc(Cl)cc21 14241559 QNEGFKYDVXHOJW-GUTXKFCHSA-N 390.892 2.944 0 40 GFAB CSCC[C@H](C(=O)NCc1ccc(C)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 8937768 YWOSFPCQZXHUHS-OKZBNKHCSA-N 388.533 2.908 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(c3ccc(OC)cc3OC)=NO2)c1 6759827 VSTYYCCMLBGODL-IBGZPJMESA-N 386.404 2.853 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc(=O)c(OC)cn2C)sc1-c1ccccc1 96231335 OAWDBCLKORBRFL-UHFFFAOYSA-N 399.428 2.556 0 40 GFAB Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(-c2ccccc2)n[nH]1 9109961 CHMPOUHHCYABCJ-UHFFFAOYSA-N 397.508 2.590 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1OC 20112244 ZWZFTSSAFUNQDZ-UHFFFAOYSA-N 387.461 2.676 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7587684 YRVMSEBABKJIIQ-INIZCTEOSA-N 399.516 2.861 0 40 GFAB C[C@H]1c2ccsc2CCN1C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 7830265 GTBODDGTPSGLIK-LBPRGKRZSA-N 382.482 2.654 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)Nc3cccc(Cl)c3)no2)cn1 96001735 MYOKCBCTOCIVOV-CQSZACIVSA-N 388.815 2.729 0 40 GFAB COc1cc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1OC(F)F 8127549 NLIBUDIBIXHKHY-UHFFFAOYSA-N 385.388 2.630 0 40 GFAB C[C@H](C(=O)NCc1ccccc1)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 9639190 YRMUVQQDXQCQID-XCLFUZPHSA-N 383.473 2.536 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@H]1CCCCN1Cc1cccnc1 97164520 BNZGLTJMCKTGCX-HXUWFJFHSA-N 399.466 2.777 0 40 GFAB O=C(NC1(C(=O)O)CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 95348426 RNQNNYDTYBZLAC-UHFFFAOYSA-N 376.428 2.582 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCC[C@@H]3CCCO)cc2)c1C 95444550 FGBJGQMICLESNY-QGZVFWFLSA-N 385.464 2.735 0 40 GFAB COc1cc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc2c1OCCO2 85412061 TZWJAOQXEXULFP-CQSZACIVSA-N 381.388 2.778 0 40 GFAB COC(=O)[C@@H]1C[C@@H](N[C@@H](C)CCc2ccc(Br)cc2)CCN1C 95943616 QMHPGQIXSXBAOX-JQFCIGGWSA-N 383.330 2.996 0 40 GFAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 79446359 NYJKUPKKBRVDLD-UHFFFAOYSA-N 386.823 2.848 0 40 GFAB CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)[C@@H]1CSC(=O)C1)C1CC1 35313998 ILTMXNVVFOBAKK-WFASDCNBSA-N 380.535 2.975 0 40 GFAB CC(=O)NC1(c2ccccc2F)CCN(CC(=O)N2CCc3ccccc32)CC1 72341582 NQKZAUQCJLVNBW-UHFFFAOYSA-N 395.478 2.842 0 40 GFAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(C)o3)C2=O)cc1 409214959 VMBSZGAZWUZHGF-SXGWCWSVSA-N 386.429 2.949 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218653179 UCSAYDBOFVSVBW-AOIWGVFYSA-N 393.892 2.872 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 518905840 YINVAJSSMUBSMF-JWDQPFGJSA-N 384.929 2.668 0 40 GFAB COc1ccc(Oc2cncc(C3CCN(C(=O)Cn4cccn4)CC3)n2)cc1 72363106 KLUDWTIBLZSFHW-UHFFFAOYSA-N 393.447 2.880 0 40 GFAB Cc1csc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)n1 223417469 JWBYCCWOKPCIRR-CQSZACIVSA-N 395.431 2.860 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(C)c1 190381840 RPHSAZFIQQBHMJ-QGZVFWFLSA-N 377.487 2.809 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223208662 IUOHOPJYZFOIJT-INIZCTEOSA-N 386.517 2.982 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 527750873 WJKZWJDYJDPPQE-CABCVRRESA-N 378.425 2.614 0 40 GFAB COc1ccc(-c2noc(CNC(=O)COc3ccc(F)cc3)n2)c(OC)c1 222785621 VYLFKMCTMGMBRU-UHFFFAOYSA-N 387.367 2.588 0 40 GFAB CS(=O)(=O)c1ccc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 96296450 IVUXVGKYJLFXGZ-SFHVURJKSA-N 397.500 2.642 0 40 GFAB biogenic,in-vitro CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@H]4C3)ccc21 247561505 YYGZVQVCVZIGGZ-NBHGPNQESA-N 392.565 2.944 0 40 GFAB COc1ncccc1C(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O 257228645 FURQFVONFVAIEK-SFHVURJKSA-N 393.487 2.786 0 40 GFAB Cc1nnc(Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)s1 540212272 IRNIHUISWRUCTA-UHFFFAOYSA-N 392.366 2.809 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1C 257288425 PUDFYRUCNSDNHF-CTNGQTDRSA-N 381.476 2.633 0 40 GFAB N[C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 666963157 YZDBKLXOIIOTRM-PMACEKPBSA-N 383.496 2.682 0 40 GFAB Nc1c(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cnn1Cc1ccccc1 615863829 ISICAJWDYZTJPI-IEBWSBKVSA-N 377.448 2.559 0 40 GFAB O=C(CN1CCCC[C@@H](O)C1=O)N(Cc1ccccc1)Cc1ccccc1F 644334494 QPWHFIDUWWZFRF-HXUWFJFHSA-N 384.451 2.728 0 40 GFAB COc1ccc(-n2ncc3c2CCCN(C(=O)CCCN2CCCC2=O)C3)cc1 72342839 OIUNJSFJBSRTDN-UHFFFAOYSA-N 396.491 2.558 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1614962812 TZEIBKLQNPGFIQ-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB CC(C)n1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 1615158342 MAUNWWJJWMKVLL-UHFFFAOYSA-N 382.464 2.502 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 5192911 MKKWTJZKABSJKF-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1ccc([C@H]2C(C(=O)O)=C(COC(C)=O)Oc3cc4c(cc32)OCO4)cc1 5663919 DAOOIVSMQFEKIW-LJQANCHMSA-N 398.367 2.850 0 40 GFAB COc1cc(CN2CCC(c3noc(-c4cnccn4)n3)CC2)cc(OC)c1O 12187320 LUWPXMXUBRCELF-UHFFFAOYSA-N 397.435 2.629 0 40 GFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 14602393 IXUUGYLPPLAYAH-MRXNPFEDSA-N 394.443 2.687 0 40 GFAB COc1cccc(CN2CCc3c(O)nc(-c4cnc(C)cn4)nc3C2)c1OC 19239062 NLCQJTFLHRSISX-UHFFFAOYSA-N 393.447 2.523 0 40 GFAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)cc2n1 19522371 ONRQXHFRGUSNQZ-BXUZGUMPSA-N 382.386 2.805 0 40 GFAB CN1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 19590585 KYIFJTRQWKKSOH-QGZVFWFLSA-N 392.912 2.644 0 40 GFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2C(=O)c2ccccc2)n1 19709749 YNKCSFOLGCOECQ-SFHVURJKSA-N 381.480 2.864 0 40 GFAB CC(C)n1cc(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)cn1 12220639 HKAMXXCMWHJWCM-UHFFFAOYSA-N 382.424 2.634 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@H]([C@H]2CC(=O)c3cc(F)ccc3O2)C1 12753818 GYHGAFMZYMGYCO-MEDUHNTESA-N 375.425 2.872 0 40 GFAB C[C@H](CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2)n1ccnc1 248155741 IKWAXFPCITVAAK-NEWSRXKRSA-N 393.491 2.769 0 40 GFAB Cc1cc2ccncc2n1CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1 19127079 UFVKQXKEGOBUQU-QIDMFYOTSA-N 376.460 2.938 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)n1 4965954 MGEOIRFAPWWGPC-UHFFFAOYSA-N 398.488 2.992 0 40 GFAB CN(C)c1ccc(C(=O)N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cc1 1888866535 HBMMXWUKBIEXKW-QZTJIDSGSA-N 377.492 2.628 0 40 GFAB Cc1cc(CN2CCC3(CC2)CC(NC(=O)c2nnsc2C(C)C)C3)n[nH]1 1565541595 FRHFCZCCKHRAFL-UHFFFAOYSA-N 388.541 2.868 0 40 GFAB O=C(O)c1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 8661808 ZIUCWMBOKHDHQK-UHFFFAOYSA-N 397.456 2.642 0 40 GFAB O=C([C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCC(F)(F)CC1 2086884770 WTVWYEJXGFQQKW-NSHDSACASA-N 379.329 2.563 0 40 GFAB CC(C)(C)OC(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 118487709 RFMNGIKOFZXXOO-UHFFFAOYSA-N 386.378 2.590 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)C4CCCCC4)CC3)nn2)cc1 49405906 NRZCNAXPCAQZDF-UHFFFAOYSA-N 395.507 2.877 0 40 GFAB C/C(=C/c1ccccc1)C(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 575616252 IFTHPACQDWCNSD-PFONDFGASA-N 390.443 2.764 0 40 GFAB COc1ccc(CNC(=O)N2CCC(Oc3ccnc(C)n3)CC2)cc1OC 585147056 ZEWTZDJVFNATRW-UHFFFAOYSA-N 386.452 2.555 0 40 GFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccnc1SC 206795730 WVZYUPWKESTACY-WFASDCNBSA-N 390.436 2.778 0 40 GFAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)OCCO)cc1 96338278 LBGNCGYKTMAHRN-GOSISDBHSA-N 390.867 2.762 0 40 GFAB CN(C)[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccs1 40160838 YJHYNAASYQETSP-CJNGLKHVSA-N 375.519 2.970 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3OC(F)F)cn2)CCO1 40112409 DIIZYNNUCAXVOP-ZDUSSCGKSA-N 377.391 2.838 0 40 GFAB CCN(CC)Cc1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 31538700 VVVYYANLLLJVSN-UHFFFAOYSA-N 394.475 2.560 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)cc1OC 100831173 GKIJOHPDXCRCSJ-WBVHZDCISA-N 386.791 2.650 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cncc(Br)c1 7810764 COQASRGGTLVNRQ-UHFFFAOYSA-N 387.237 2.743 0 40 GFAB Cc1ccc(S(=O)(=O)NN2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 3045276 QICMRWLCJWRQPH-UHFFFAOYSA-N 392.436 2.736 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)o2)cc1 3593031 RBNMEXGTLLIUHP-UHFFFAOYSA-N 384.417 2.575 0 40 GFAB CC(C)OCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 6344261 DYPREUPQRNIWRT-UHFFFAOYSA-N 397.324 2.691 0 40 GFAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCCc2ccccc21 6823903 VSESXNMWWDVCIU-UHFFFAOYSA-N 375.475 2.514 0 40 GFAB Cc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)O)[nH]1 6959287 DZAGOXHRDOZFKU-NTEUORMPSA-N 375.410 2.839 0 40 GFAB COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 21033273 WSFULXZDUUHPGH-UHFFFAOYSA-N 389.260 2.683 0 40 GFAB COc1ccc(C(=O)[C@H](C)OC(=O)CCCC(=O)Nc2nnc(C)s2)cc1 8474274 PFEHSZSNBQZMNR-NSHDSACASA-N 391.449 2.779 0 40 GFAB Cc1cccc(/C=C/C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 32788153 PUAPKBLVCWJFQY-GLCJEOIMSA-N 392.455 2.661 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C(N)=O)c1ccccc1 32879302 LXGDUCHMUPZSSS-IAGOWNOFSA-N 388.851 2.864 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)c2cccnc2N2CCOCC2)cc1 32882517 WDQRAXSNJARXSG-UHFFFAOYSA-N 377.448 2.973 0 40 GFAB C[C@H]1C(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C(=O)N1c1ccc(F)cc1 20671001 ARCXMFUMAXXJNR-JTQLQIEISA-N 377.322 2.900 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)C(C)(C)C)[C@@H]3C2=O)c(C)c1 104126156 IPZGPHQTJJWIDX-MLHJIOFPSA-N 379.460 2.633 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 12389078 UETXWOUJPTYJRV-CQSZACIVSA-N 397.431 2.654 0 40 GFAB Cc1cccc(N2CCN(CN3C(=O)N[C@@](C)(C4CCCCC4)C3=O)CC2)c1 12557596 PPPPIUDNYYKYNJ-QFIPXVFZSA-N 384.524 2.965 0 40 GFAB CN(C)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccco1 43946429 CHVJDBPVQRJVLV-INIZCTEOSA-N 381.440 2.692 0 40 GFAB CCN1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 107889896 ZZMVKWNVKIZLKV-HKUYNNGSSA-N 383.458 2.899 0 40 GFAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 57332868 OPZBDAKNXATTCF-LBPRGKRZSA-N 379.844 2.702 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2N2C(=O)CSC2=O)c1 28283986 OZTSQXINHYAZJV-UONOGXRCSA-N 382.507 2.588 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)no1 58343151 WYTFXTOAZAHDTR-UHFFFAOYSA-N 394.435 2.595 0 40 GFAB CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccc(F)c2)c(S(C)(=O)=O)c1 58413115 LIFYIDARAIPBHW-MRXNPFEDSA-N 397.493 2.974 0 40 GFAB CC(=O)O[C@@H]1OCCO[C@@H]1NC(=S)Nc1ccc(Nc2ccccc2)cc1 28294220 KCLFVERBWXDAKG-ROUUACIJSA-N 387.461 2.979 0 40 GFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N1CCCCCC1 12634018 GACYUTOMKMUORN-OAHLLOKOSA-N 397.566 2.749 0 40 GFAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(S(C)(=O)=O)cc1 10967309 LESDVNTXYNWKPG-CYBMUJFWSA-N 386.473 2.930 0 40 GFAB NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12776087 WPOQWGDAHPEDEW-FQEVSTJZSA-N 380.444 2.579 0 40 GFAB CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@@H]1c1ccccc1 12745579 RJMIIAGVXRELLI-CYBMUJFWSA-N 376.463 2.502 0 40 GFAB COC(=O)NCC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 48319542 ROHIXFLTYXVWAK-UHFFFAOYSA-N 391.468 2.554 0 40 GFAB C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 12852546 DXSLDFOZMUHJJN-MRXNPFEDSA-N 384.455 2.853 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(F)cc1 3491311 BWSAOCXNWUUFNY-UHFFFAOYSA-N 387.440 2.527 0 40 GFAB COc1ccc(CN(C)C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1F 12982040 PZRVWCVGCNSAPF-UHFFFAOYSA-N 383.416 2.796 0 40 GFAB Cc1ccc(OCc2nc(C(=O)Nc3nc(CC(N)=O)cs3)cs2)cc1 12980532 FEFDPVHSOWJFFV-UHFFFAOYSA-N 388.474 2.767 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1F 12978950 LIXGHYPEOLCJRI-LBPRGKRZSA-N 392.452 2.647 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)Cn2c(=O)cnc3ccccc32)c(OC)c1 12989187 NHCAVRYOXPQANF-SFHVURJKSA-N 393.443 2.777 0 40 GFAB CCOc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(Br)c1OC 13170854 RLQHWTNNMPZSNV-SNVBAGLBSA-N 386.242 2.793 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)C[C@@H](C)O1 13148398 AXEXWHZDQAYIER-TXEJJXNPSA-N 380.901 2.863 0 40 GFAB COc1ccc(CNC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1 16953769 SKDLIUCPXLSIGV-UHFFFAOYSA-N 379.441 2.936 0 40 GFAB COC(=O)c1oc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)cc1C 63863980 DTCRGYFHFNEBAX-UHFFFAOYSA-N 396.399 2.808 0 40 GFAB Cn1c(NC(=O)CNC(=O)c2ccc(F)cc2F)nc2cc(Cl)ccc21 64091310 FRJNEAVRLDVWHP-UHFFFAOYSA-N 378.766 2.873 0 40 GFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccccc1Cl 6127729 LJKKXUDICMLALJ-UHFFFAOYSA-N 394.880 2.802 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c12 8491554 JKHZCPTWFSKGPD-KRWDZBQOSA-N 381.428 2.811 0 40 GFAB biogenic O=C(Cc1csc(N2CCNC2=O)n1)N1CCC(Cc2ccccc2)CC1 65575960 CFGHQLPJMXGLOD-UHFFFAOYSA-N 384.505 2.697 0 40 GFAB CC(C)CCn1c(SCC(=O)NC2=NCCS2)nc2ccccc2c1=O 6508842 QRBNDMDYYVKEFM-UHFFFAOYSA-N 390.534 2.754 0 40 GFAB CCN1CCN(c2ccc(NC(=O)[C@H](C)n3c(=O)oc4ccccc43)cc2)CC1 14347800 UHYKKHDRBCQZCM-INIZCTEOSA-N 394.475 2.936 0 40 GFAB C[C@@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 5539917 WXRFDRSQRIQAAP-GFCCVEGCSA-N 386.370 2.978 0 40 GFAB COCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 4731414 HOOFFBBOSOPQFL-QFIPXVFZSA-N 391.471 2.795 0 40 GFAB Cc1sc2ncn(CC(=O)Nc3ccc(N4CCOCC4)cc3)c(=O)c2c1C 5689197 FATFRXHKBRTDNU-UHFFFAOYSA-N 398.488 2.550 0 40 GFAB Cc1occc1C(=O)NC1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 66479825 QFPGGQYFEMOXEF-UHFFFAOYSA-N 398.419 2.585 0 40 GFAB COc1ccc(Cl)cc1CN(C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15107401 VGGKDCVODPTSQL-LLVKDONJSA-N 388.855 2.977 0 40 GFAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 5982865 BVIANXWUWHVLIX-CYBMUJFWSA-N 393.472 2.904 0 40 GFAB Cc1cc(C)n2nc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)nc2n1 7019587 GNLATDZMIMCOHI-UHFFFAOYSA-N 398.517 2.982 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CCCCCC1 9226146 QSQKWRMSXMMZSZ-GFCCVEGCSA-N 388.917 2.854 0 40 GFAB O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 72059955 XYKPFIQBXBGFNG-LSDHHAIUSA-N 397.269 2.628 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(C)[C@H](C)c2cnc3ccnn3c2C)c1 97165410 BKLJQBBRJJXQOL-CYBMUJFWSA-N 380.452 2.628 0 40 GFAB Cc1nc(C(=O)N2CCc3c(ncn3C3CC3)C2)nn1-c1ccccc1Cl 95349701 XKTAXNCDETWAPN-UHFFFAOYSA-N 382.855 2.959 0 40 GFAB Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 95958290 YPOOUNJSTCWNGD-MRXNPFEDSA-N 382.468 2.781 0 40 GFAB CN(C(=O)CCN1C(=O)CCC1=O)c1nc2c(s1)C[C@H](c1ccccc1)CC2 95958538 OKGWWRUOFSTMGE-OAHLLOKOSA-N 397.500 2.918 0 40 GFAB COC(=O)N1CC[C@@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 78878586 XJZSIMGMGIKVLD-MRVPVSSYSA-N 381.643 2.983 0 40 GFAB CC[C@H](CCNS(=O)(=O)c1cn(C)nc1C)n1nc(C(F)(F)F)cc1C 36615085 WQUICSVTIIQVNV-GFCCVEGCSA-N 393.435 2.572 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 39985475 DWLFOAKHGKNPFH-INIZCTEOSA-N 390.505 2.892 0 40 GFAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408614768 HPFYXLLEOGMWGK-CYBMUJFWSA-N 385.851 3.000 0 40 GFAB COc1ccc(NC(=O)NCCNc2nc(C)cc(N(C)C)n2)cc1Cl 38670749 DESDGAGFWIZDPI-UHFFFAOYSA-N 378.864 2.747 0 40 GFAB COc1cccc(-n2cc(C(=O)NCC(F)(F)c3cccc(F)c3)nn2)c1 1538479437 KANRZONGXFXZGG-UHFFFAOYSA-N 376.338 2.937 0 40 GFAB O=C(O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218184333 DUWBNELAXSPBOM-OAGGEKHMSA-N 380.805 2.709 0 40 GFAB CC(C)c1noc(-c2cccc(OCC(=O)Nc3ccc(C(N)=O)cc3)c2)n1 33012536 QNJCYRUOQCQQMU-UHFFFAOYSA-N 380.404 2.976 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3sncc3c2)cc1 186857961 QXFNPFOYMZPPPD-UHFFFAOYSA-N 375.475 2.776 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(CCOc4ccccc4C)C3)ncc2C1 72390878 QKRVXISDZCIXKA-IBGZPJMESA-N 394.519 2.948 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N3CCCC(C)(C)C3)c2C1 72372183 VTYQCEUWBNQXIL-KRWDZBQOSA-N 385.556 2.817 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCC3CCCCCC3)no2)cn1 563086874 GZIHOCRDWNOSAN-INIZCTEOSA-N 388.472 2.523 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)C)C2)cc1 226048830 SPMVFBYLNVQEBB-OAHLLOKOSA-N 382.526 2.648 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222997534 JUHOUEKFSHQQOD-OALUTQOASA-N 379.489 2.886 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 41339052 XASBZLZMCCGIFG-UHFFFAOYSA-N 392.415 2.802 0 40 GFAB Cn1nc(-c2cnccn2)cc1CNC(=O)COc1ccc(Cl)cc1Cl 253471878 GIVQLXQBEULAME-UHFFFAOYSA-N 392.246 2.879 0 40 GFAB COC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516405 SJBRWGDXJVFINB-SCTDSRPQSA-N 375.515 2.854 0 40 GFAB COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 634096326 UMVJMYPINAVSEU-MJGOQNOKSA-N 384.480 2.909 0 40 GFAB Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2Cc2ccccc2)cc1 1121906666 LGYWIJMUDAHVKP-OAQYLSRUSA-N 389.503 2.823 0 40 GFAB CN(C)C(=O)N1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 390830479 LIHFQMNRVOJTEV-UHFFFAOYSA-N 394.324 2.665 0 40 GFAB O=C(NCC(=O)N1CC[C@H](Oc2ccncc2Cl)C1)OCc1ccccc1 575611013 RPINMBBHQCJDFB-HNNXBMFYSA-N 389.839 2.641 0 40 GFAB O=C(Cc1cccc(O)c1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111144 GPNSHDDUHIZNCK-FQEVSTJZSA-N 377.444 2.610 0 40 GFAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 5949450 KGDPPRPFSCVWNM-UHFFFAOYSA-N 398.532 2.964 0 40 GFAB Cc1nn(CC(=O)NCCc2cccc(F)c2)c(=O)c2cc3sccc3n12 12115272 HDMGXEIMBVAVEG-UHFFFAOYSA-N 384.436 2.517 0 40 GFAB COc1ccnc(Cn2nc3c4ccccc4nc(C(C)(C)C)n3c2=O)c1OC 12145251 DWUKANPTSXMMKI-UHFFFAOYSA-N 393.447 2.802 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)C1=O 12548141 IRFZHEDGBQROGO-UHFFFAOYSA-N 391.431 2.889 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2F)c1=O 15761014 YSDLMOJQNKOIQE-UHFFFAOYSA-N 375.787 2.614 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@@H]2C=C[C@H]1CC2 17079407 KHYKJAGXWMEGEX-NEPXVJNWSA-N 388.895 2.897 0 40 GFAB CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc2C1 17316610 XEBKJFQVIMHZKG-UHFFFAOYSA-N 392.452 2.551 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 17521479 ZJVDFYMHYCBADC-CQSZACIVSA-N 380.857 2.746 0 40 GFAB CNc1cc([C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nc(-c2cccnc2)n1 19238863 JLVQBFZYGNBCEQ-INIZCTEOSA-N 389.463 2.699 0 40 GFAB CCC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19498846 GYCPOGQNYFSDJS-SFHVURJKSA-N 381.480 2.599 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@@H](C(=O)Nc3ccccc3)C1)n2C 19747645 ZKTNEBXLIUEQHE-HXUWFJFHSA-N 377.444 2.966 0 40 GFAB NC(=O)c1cc([C@H]2CCN(C(=O)COc3ccccc3)C2)nc2ccccc12 19754587 SYWUQABIPQLHMX-HNNXBMFYSA-N 375.428 2.729 0 40 GFAB O=C(NCc1ccccc1F)c1ccccc1S(=O)(=O)N1CCCCC1 6998533 MWYATKFOXGAFGR-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 36634767 MUCQJJGCBACPAA-UHFFFAOYSA-N 398.469 2.963 0 40 GFAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(c2ccc3nncn3n2)C1 1776001152 BKNVECGTHWXXEI-GFCCVEGCSA-N 378.358 2.834 0 40 GFAB O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1565523190 ISJIGAKKONMPFP-UHFFFAOYSA-N 394.381 2.911 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(C)c2=O)c1 5254637 VOHCVBOZDVVIRW-UHFFFAOYSA-N 379.464 2.918 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O 8588272 MWMCZXXGXYLDSC-UHFFFAOYSA-N 381.407 2.648 0 40 GFAB Cc1ccccc1CN1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1 2055713230 IZAXGOFFYOPOLV-UHFFFAOYSA-N 380.414 2.861 0 40 GFAB COc1cccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 35432335 SNKJCXFPTSQODA-UHFFFAOYSA-N 396.422 2.777 0 40 GFAB O=C(NCc1nc(-c2cccnc2O)no1)c1ccc(Br)s1 575617218 RCHYYSITVBLYHN-UHFFFAOYSA-N 381.211 2.591 0 40 GFAB O=C(Cc1ccc(Br)cc1)NCc1ccnc(N2CCCC2=O)c1 575608333 NCONTLZRNKBAGK-UHFFFAOYSA-N 388.265 2.830 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)C2)n1 102797093 IIWQANNXVQBPOM-CQSZACIVSA-N 389.431 2.765 0 40 GFAB c1cncc(CN2CNC3=N[C@H](c4ccco4)n4c(nc5ccccc54)N3C2)c1 20102187 KJCRBRWIRACWIQ-IBGZPJMESA-N 385.431 2.768 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1CCN1CCOCC1 20219675 ADRAKVBBTPCXAK-HXUWFJFHSA-N 390.439 2.670 0 40 GFAB CCOC(=O)c1ccoc1COC(=O)c1cc(S(C)(=O)=O)ccc1Cl 11312874 JCPAZBJBRPWFGG-UHFFFAOYSA-N 386.809 2.870 0 40 GFAB O=C1N[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 11859171 BPVKQRQJQSDSDR-IOASZLSFSA-N 399.756 2.839 0 40 GFAB CCc1nn2c(=O)cc(CNc3cc4c(cc3Cl)OCCO4)nc2s1 29691184 DAUXGYMRGATEGH-UHFFFAOYSA-N 378.841 2.750 0 40 GFAB COc1ccc(CN(C)[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC 32751377 DHOOUXSOYFKOEV-OAQYLSRUSA-N 384.476 2.736 0 40 GFAB O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(O)n1)Nc1ccccc1 32836336 MLEAEHQMHUWRFV-UHFFFAOYSA-N 396.428 2.746 0 40 GFAB Cc1nc(Cl)sc1S(=O)(=O)NCc1ccccc1Cn1cccn1 32809803 NMXRFGDJNQADGA-UHFFFAOYSA-N 382.898 2.828 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1c[nH]c2ccccc2c1=O 32934692 PEYGSDHTWVZMKA-UHFFFAOYSA-N 375.428 2.694 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709328 KRCRJULLVMNPBH-UHFFFAOYSA-N 397.460 2.639 0 40 GFAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 101387883 WZHXSPWZDFLGBW-FQUUOJAGSA-N 381.450 2.694 0 40 GFAB COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)cc1 22820670 FJWFVNPUQXCEHS-GOSISDBHSA-N 383.492 2.719 0 40 GFAB O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1CN1CCOCC1 33908989 OMYQMXMKXLQASD-LCYFTJDESA-N 383.267 2.775 0 40 GFAB O=C(CCc1nc2ccccc2s1)NS(=O)(=O)N1CCc2ccccc21 105769323 ZQESUBVCACNBKD-UHFFFAOYSA-N 387.486 2.653 0 40 GFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N(Cc1ccco1)Cc1cccs1 24459261 AHZKLTYTUHYROO-IAGOWNOFSA-N 384.457 2.821 0 40 GFAB O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)N1CCNC1=O 61719754 CWAGBFPSOKFDJD-UHFFFAOYSA-N 382.347 2.530 0 40 GFAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCOCC1 27552235 OUDBFWLZVCOVKB-QGZVFWFLSA-N 385.512 2.760 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(F)cc1 20015354 LVYFMFQWWINOAA-IBGZPJMESA-N 390.480 2.781 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1 25064699 NJRKLKJGOSJSEK-UHFFFAOYSA-N 388.493 2.622 0 40 GFAB COc1ccccc1[C@@H](C1=C(O)COC1=O)c1cc2c(cc1OC(C)=O)OCO2 102955725 GNJCTGNSYOIDRI-LJQANCHMSA-N 398.367 2.850 0 40 GFAB C[C@H]1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc21 107332267 JUWKRLZFRSLSMK-WMZOPIPTSA-N 390.549 2.959 0 40 GFAB CCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 57527314 OSZUJDQOMCIILC-UHFFFAOYSA-N 377.400 2.840 0 40 GFAB Cc1ccc(C(=O)C2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)cc1 108575520 LUEQXBDKWLAHJF-UHFFFAOYSA-N 375.428 2.967 0 40 GFAB CCN(c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1)S(C)(=O)=O 20030573 CFIBEHBESOFOAA-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB Cc1ccccc1N1C(=O)C[C@@H](N(C)CC(=O)Nc2ccccc2Cl)C1=O 10168017 ULVNSXPJYROHNR-QGZVFWFLSA-N 385.851 2.851 0 40 GFAB C[C@@H](Sc1ncccn1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 58264813 NDZOXVJFAUQKBY-LLVKDONJSA-N 379.869 2.741 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)c1 27968779 SDOSTBMFLWQEPP-UHFFFAOYSA-N 395.820 2.779 0 40 GFAB COC(=O)CCc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 48237703 HLFGKRSSWVJVEI-ZDUSSCGKSA-N 379.400 2.755 0 40 GFAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(OC(F)(F)F)cc1 3497682 BZFUUIBMSZFNKF-HNNXBMFYSA-N 397.305 2.907 0 40 GFAB Cc1ccccc1OCCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C 12925397 DTJOSABSSNOEPD-JOCHJYFZSA-N 394.427 2.526 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1S(=O)(=O)NC(C)C 12912905 AZKTTXDUHTWJFS-OFQRWUPVSA-N 382.526 2.936 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCCCC1 13005551 VUWKLUUNYHDQDM-SFHVURJKSA-N 391.537 2.979 0 40 GFAB O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCN(Cc2ccccc2)CC1 13355784 OYSLSILXSBIALT-UHFFFAOYSA-N 381.867 2.879 0 40 GFAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccccc2C)c1=O 64987624 JIXQKUORXBUBJM-UHFFFAOYSA-N 378.432 2.716 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F)c1ccccc1 13856328 OMZFZNNZHKNYCV-AWEZNQCLSA-N 378.425 2.535 0 40 GFAB Cc1noc(C)c1COc1cccc(C(=O)N(C)CC(=O)NCc2ccco2)c1 14112828 ZLYDEQODZNESEA-UHFFFAOYSA-N 397.431 2.852 0 40 GFAB COc1cccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Br)cc32)c1 4554996 DQIDYFCMUZQYKX-GOSISDBHSA-N 390.233 2.895 0 40 GFAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2nccnc2N)cs1 14246198 OUWHETBURNFNMF-UHFFFAOYSA-N 383.433 2.865 0 40 GFAB CCc1ccc2c(COC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc(=O)oc2c1 14357749 FVAQXCQMMBPPLD-IRXDYDNUSA-N 397.427 2.574 0 40 GFAB CC[C@@H](C)NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 4983092 MGEIFVWGYWLJQM-OAHLLOKOSA-N 376.478 2.805 0 40 GFAB NC1=Nc2nc3cc4c(cc3n2[C@@H](C2=Cc3ccccc3OC2)N1)OCCCO4 8778846 RGAAPBSTQLPEOI-IBGZPJMESA-N 389.415 2.722 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCc2ccc3c(c2)OCO3)c1 7716688 IRZJRJJHPKYRFS-SFHVURJKSA-N 398.459 2.886 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(F)c1 16200084 SJHQQEMOTBBIDJ-INIZCTEOSA-N 375.425 2.528 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C[C@@H](COc3ccccn3)CCN2C)C1 306137444 QWIIYFXLRIQFFP-KRWDZBQOSA-N 398.507 2.946 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)NCCn1ccc2ccc(Cl)cc21 71283215 PGAWMFPCGWWFPQ-UHFFFAOYSA-N 380.835 2.821 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CS[C@H](C)C(=O)NC(C)(C)C)n1 9117932 BWBAXLBLTBKFIH-LLVKDONJSA-N 390.513 2.742 0 40 GFAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 9154193 DKYBQETYJMXYKS-JTQLQIEISA-N 395.308 2.543 0 40 GFAB COC1CCC(N(C)S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 96000225 MWMKUUWXAAHQFE-ACBHZAAOSA-N 394.537 2.510 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(Cl)cc1 9341517 ONDUVHPNTJOBAZ-SFHVURJKSA-N 399.878 2.900 0 40 GFAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408593160 LSUCAQVYIZDFPZ-AWEZNQCLSA-N 387.288 2.629 0 40 GFAB CCCCOc1ccc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 97105320 MALNXMVEHNHYRR-UHFFFAOYSA-N 380.554 2.560 0 40 GFAB O=C(NC[C@@H](O)c1ccccc1F)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 78973078 JKZSRWZUSLZARU-YVEFUNNKSA-N 376.815 2.682 0 40 GFAB COCCN1CC[C@]2(CN(Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306129922 IQQLTRAKSMRJIT-WIYYLYMNSA-N 386.496 2.522 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@H](CC(N)=O)NC(=O)Oc1ccccc1 409000518 XIWKYPGQHGNTHO-HNNXBMFYSA-N 375.812 2.620 0 40 GFAB COc1ccc(Br)c2c1C(=O)[C@H]([C@]1(O)C(=O)Nc3ccccc31)C2 408569755 XOJWSJQCNKXJLZ-ZMZPIMSZSA-N 388.217 2.653 0 40 GFAB COc1ncccc1NC(=O)c1nc([C@H]2CCCN2C(C)=O)n2ccccc12 306145092 ZXWWJPLSIGEWLD-MRXNPFEDSA-N 379.420 2.674 0 40 GFAB O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cnc(O)c2ccccc12 548903611 HCSYXFIBIVJCAZ-OAHLLOKOSA-N 376.416 2.977 0 40 GFAB O=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1ccc2c(c1)OCCO2 32646792 PFOAXWOBKPYZSF-UHFFFAOYSA-N 386.795 2.709 0 40 GFAB Cc1sc(-n2cnnn2)c(C(=O)NCCn2ccnc2-c2ccccc2)c1C 524734280 PGPVYIULYKPLBO-UHFFFAOYSA-N 393.476 2.634 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C)c1ccc2c(c1)OCCO2 408706179 WSIZTPDSKVROGP-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB CCOc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cn1 530538870 FLDXZNLUKINKMK-IEBWSBKVSA-N 387.505 2.785 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](C)CCc1ccccc1 72403250 SQGRJJZRBDBCBU-KSSFIOAISA-N 389.521 2.611 0 40 GFAB CCN(c1ccc(C(=O)NCCCN(C)c2ccccc2)cc1)S(C)(=O)=O 218785063 CHHQGNMATGUQCJ-UHFFFAOYSA-N 389.521 2.729 0 40 GFAB O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)n1 71003310 HXYJXEDVIPJLLX-AWEZNQCLSA-N 380.452 2.630 0 40 GFAB CCc1nc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 48707304 SBHAZQYIEGWYOT-LBPRGKRZSA-N 384.498 2.807 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 48066031 FWILCURGPSGSGA-YOXBVPKESA-N 389.496 2.882 0 40 GFAB Cc1cccc(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 225087017 KGRRWSBJLMIWLS-UHFFFAOYSA-N 386.473 2.560 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 222490022 VMPWHVSUBFMZKR-CQSZACIVSA-N 390.867 2.891 0 40 GFAB CCOc1ccc(NC(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)cc1 49009286 AZKQGMJJDOFIIM-UHFFFAOYSA-N 389.415 2.595 0 40 GFAB COc1nn(C)cc1C(=O)NCC1CCN(Cc2ccccc2SC)CC1 43991152 KWDZRISJVOXJSG-UHFFFAOYSA-N 388.537 2.793 0 40 GFAB Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1N1CCCCS1(=O)=O 224398348 GNKSHAFNWFIRHS-UHFFFAOYSA-N 399.472 2.524 0 40 GFAB COCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC(C)C)c1ccccc1O2 96053548 ZYSHBNCJRWIPDH-QGZVFWFLSA-N 388.508 2.723 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@]1(O)CCc2ccccc2C1 90611518 DOFGFPACWGBGCU-JOCHJYFZSA-N 379.435 2.876 0 40 GFAB COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)[nH]n2)cc1 98212512 RYNJPQXFGBASQL-UHFFFAOYSA-N 376.460 2.977 0 40 GFAB CC(C)N1C(=O)C(=O)N(C(C)C)C1(NC(C)(C)C)c1nc(Cl)c(Cl)[nH]1 255187843 HCRBISFWZYIDDL-UHFFFAOYSA-N 390.315 2.703 0 40 GFAB COc1cccc(N2CCC[C@H](NC(=O)c3ccc4cnc(C)n4c3)C2=O)c1 585080929 WTYGLCYTGFOAHG-IBGZPJMESA-N 378.432 2.577 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N(C)C 257275482 NPOYZXVHZAPZJD-GOSISDBHSA-N 380.492 2.744 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)cc1Cl 90611551 NMNJQMDPCAYKAX-SFHVURJKSA-N 381.881 2.547 0 40 GFAB Cc1cc(O[C@@H]2CN(Cc3ccc(OCCO)cc3)C[C@H]2O)cc(C)c1Cl 585268281 DOLXRYKJACLBIZ-WOJBJXKFSA-N 391.895 2.952 0 40 GFAB CCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 70777855 JPHGPCJQFOSOJR-UHFFFAOYSA-N 379.507 2.567 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615160900 UKAZNODRZNZKRW-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB COc1cccc(C(=O)NCC2CCN(c3nc(C)cc(C)n3)CC2)c1OC 12144637 CODXRLIILCQLAR-UHFFFAOYSA-N 384.480 2.757 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 15535001 VVFQAGXVLAXZPE-TUAABQIMSA-N 399.491 2.859 0 40 GFAB O=C(NCc1ccco1)c1ccsc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 17078814 KJDXXVXBZRNICE-PKIAMQTDSA-N 386.429 2.733 0 40 GFAB CCN1CCN(CCNc2ncc(-c3ccccn3)c(-c3ccco3)n2)CC1 19528206 COAIZYUYLBOCGC-UHFFFAOYSA-N 378.480 2.848 0 40 GFAB Cc1ccccc1OC1CCN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 19664342 WHWRSKBHKQMCDK-UHFFFAOYSA-N 395.459 2.922 0 40 GFAB O=C(NCc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4861039 XDLKLTPCUZBFOQ-INIZCTEOSA-N 376.453 2.543 0 40 GFAB COCCn1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c2ccccc21 556743074 WPJCIWZTVSAIIB-WMQCIHAUSA-N 386.492 2.680 0 40 GFAB C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)NC2(CCCC2)C1=O 588014798 DIGTXFPIFXAAAO-JTQLQIEISA-N 384.263 2.863 0 40 GFAB O=C(OCC1(COC(=O)c2ccccc2)C(=O)C2CCN1CC2)c1ccccc1 36409123 PDELMIADPIDTDQ-UHFFFAOYSA-N 393.439 2.734 0 40 GFAB O=C(c1csc(-c2ccccc2)n1)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888913969 JEFURZDGMWLLHM-HZPDHXFCSA-N 377.473 2.809 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541643 KSNXSKXBNFCESO-DYESRHJHSA-N 384.501 2.994 0 40 GFAB Cc1csc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)n1 4335465 FHFOTBSPTILWNA-UHFFFAOYSA-N 383.462 2.682 0 40 GFAB COc1ccc(/C=C\C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1OC 5220594 AHMFLRSUJXJUEM-GQSKFBFOSA-N 384.407 2.778 0 40 GFAB COc1cc(C(=O)Nc2ccc(-c3ccc(=O)n(C)n3)cc2)cc(OC)c1OC 10325214 BDCGVPQFIPJYDL-UHFFFAOYSA-N 395.415 2.725 0 40 GFAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)cc2F)[nH]c(=O)c1C 12127433 NMFCJWBLAGHPSO-UHFFFAOYSA-N 385.374 2.980 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccc(F)cc3)ccc21 17316370 HTXKWQTUZMTYEL-UHFFFAOYSA-N 392.452 2.946 0 40 GFAB Cc1nc(C(=O)N2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)cs1 2055734910 XSDATDYTPZMELI-UHFFFAOYSA-N 390.484 2.766 0 40 GFAB O=C(c1cncc(F)c1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974399 GCEPLHIMQFINAW-UHFFFAOYSA-N 384.798 2.795 0 40 GFAB Cc1cc(O[C@@H]2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)nc(C)n1 575610666 XBLJKBLRDFSALU-QGZVFWFLSA-N 379.457 2.606 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1ccc2c(c1)CCC2 8390304 GUPBTBITZZEPIZ-UHFFFAOYSA-N 394.471 2.976 0 40 GFAB CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1CCS(=O)(=O)C1 45705645 SXMMKAXRMMVWKY-CYBMUJFWSA-N 379.503 2.978 0 40 GFAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)C(F)(F)F)c(=O)[nH]c2c1 1366652 CQALDRZQLFOJMM-CQSZACIVSA-N 384.354 2.607 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1 1934345 LPAWJJMVTZPPRA-UHFFFAOYSA-N 381.215 2.905 0 40 GFAB COc1ccc(-c2nnc(S)n2N=Cc2ccccc2OCC(=O)O)cc1 2209840 RDRYRCVNYRVVSF-UHFFFAOYSA-N 384.417 2.588 0 40 GFAB C[P@](=O)(O)c1nccn1-c1ccc(Sc2cccc3cccnc23)nn1 3176679 RWGLTQUTVIBLDS-UHFFFAOYSA-N 383.373 2.887 0 40 GFAB COCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O 4131468 DZSWXWXJJMUWOP-UHFFFAOYSA-N 385.489 2.953 0 40 GFAB C[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc2c(c1)OCO2 4967024 QFCODGRBTIKMPV-LLVKDONJSA-N 386.429 2.830 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)NC(=O)NC2CCCCC2)c(C)c1 6590608 OBNKZFMTPNHJGD-UHFFFAOYSA-N 388.512 2.641 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)NNc2c(F)c(F)cc(F)c2F)cc1 2617985 KGCIOIUACFKRHP-UHFFFAOYSA-N 390.358 2.859 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)CC1 100740426 CBEBMLGAMZDZSU-DAYGRLMNSA-N 398.511 2.801 0 40 GFAB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)oc2c(F)cccc12 32865966 HSGLAKLZALLIJY-VIFPVBQESA-N 383.339 2.731 0 40 GFAB CCOC(=O)c1cc(OS(=O)(=O)c2ccccc2)cc(C(=O)OCC)c1 2664455 YCBOTOWIJQHLMA-UHFFFAOYSA-N 378.402 2.808 0 40 GFAB CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccccc4)c(=O)c23)CO1 658405 AASLZBSUJFQVCT-IBGZPJMESA-N 384.461 2.733 0 40 GFAB COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccncc1 792758 ZUYIILXPFCBSHW-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2)CC1 22773277 NJOPWHRKIKWXTR-GOSISDBHSA-N 392.503 2.568 0 40 GFAB C[C@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)[C@H]1CCCO1 46972666 UVALEYCOGGVZMK-OXJNMPFZSA-N 381.476 2.875 0 40 GFAB CCN(CC(=O)NC(C)(C)C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 22871251 MQFIQESEWGURBX-UHFFFAOYSA-N 386.471 2.877 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 55602359 AZYQSORVAHPAAJ-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 20460671 IHWWGKWEGKZLLE-INIZCTEOSA-N 390.505 2.865 0 40 GFAB O=C(CCCn1cnc2ccccc2c1=O)NCc1cn2cc(Cl)ccc2n1 22879221 XKNIGPSBPHZBMO-UHFFFAOYSA-N 395.850 2.794 0 40 GFAB Cc1csc2nc(CSc3nc4sccc4c(=O)n3C)cc(=O)n12 25184885 MIUNQYUXHUBJNR-UHFFFAOYSA-N 376.488 2.665 0 40 GFAB CCN1C[C@H](CN(C)C(=O)c2cnn3c(C)cc(C)nc23)Oc2ccccc21 12545085 AMSYNPIBHCOARE-INIZCTEOSA-N 379.464 2.706 0 40 GFAB NS(=O)(=O)N1CCC(C(=O)OCc2sc3ccccc3c2Cl)CC1 47707803 PUHGZSGBZZMQKZ-UHFFFAOYSA-N 388.898 2.513 0 40 GFAB COc1ccc(OC)c([C@H](C)NCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 57270815 RIKMEPKFIHWQCA-AWEZNQCLSA-N 397.475 2.885 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 17903009 GVHANWYKYYBKTG-OAHLLOKOSA-N 395.459 2.508 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)c(F)c1 26909400 QHQGLUCIYKNBFI-UHFFFAOYSA-N 376.457 2.554 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccsc1 3231004 QVSMIZAPSJHVRV-CYBMUJFWSA-N 395.440 2.657 0 40 GFAB CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN(CCc2ccccc2)CC1 58018929 GLRWKFIMSHHZTK-UHFFFAOYSA-N 375.513 2.677 0 40 GFAB Cc1ccc(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 3266540 FEQMLGMDKZNIKB-UHFFFAOYSA-N 395.864 2.889 0 40 GFAB COc1cc(-c2cc(C(=O)OCC(N)=O)c3ccccc3n2)cc(OC)c1OC 3249960 LQEKONVCCLPLKB-UHFFFAOYSA-N 396.399 2.570 0 40 GFAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 3346063 DPGFBWOMQKXNCO-IVZQSRNASA-N 379.460 2.865 0 40 GFAB C[C@@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 2323915 VYYDPPUSQDDSGP-GHMZBOCLSA-N 387.509 2.601 0 40 GFAB CCn1nnc2cc(C(=O)OCc3cc(=O)oc4c(C)c(O)ccc34)ccc21 10853672 QNOALOVGTYZYAJ-UHFFFAOYSA-N 379.372 2.929 0 40 GFAB Cc1cc(-n2c(C)cn(CN3CCN(c4cccc(Cl)c4)CC3)c2=O)no1 48275838 MYDXGCHIPWLOKO-UHFFFAOYSA-N 387.871 2.677 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CN(C[C@H]2CCCO2)C[C@H]2CCCO2)c(C)c1 48363328 IXSIWCUVVQONSC-QZTJIDSGSA-N 389.496 2.612 0 40 GFAB CN(C)CCCN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 32096368 UNPGZVMZRLKVBU-SFHVURJKSA-N 378.904 2.516 0 40 GFAB CCOc1ccc(NC(=O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)cc1 3462425 GYEGYHIKWBDCJF-OAQYLSRUSA-N 381.432 2.881 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 12942139 DJGVRWLFDMFUQL-UHFFFAOYSA-N 380.803 2.873 0 40 GFAB COc1ccc(CCNC(=O)Cn2c(S)nnc2-c2ccc(C)cc2)cc1 12992163 BPDHMDJKTCWLFM-UHFFFAOYSA-N 382.489 2.910 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2nc3c(C)cccc3s2)c1=O 12938398 AJXRIWBOZPQHHV-UHFFFAOYSA-N 394.456 2.740 0 40 GFAB Cc1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1F 13002768 TYSDOVGMWZUAQE-KRWDZBQOSA-N 389.452 2.836 0 40 GFAB C[C@@H](NC(=O)CN(C)CCOc1ccccc1F)c1ccc2c(c1)OCCO2 49581214 ZIXCEMHGKWGNLI-OAHLLOKOSA-N 388.439 2.785 0 40 GFAB CCc1nn2c(=O)cc(COC(=O)c3ccc(SC)cc3OC)nc2s1 5297906 SULKPZIDYFDADU-UHFFFAOYSA-N 391.474 2.801 0 40 GFAB CCc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C 14014693 NGUVUTCBEYEABG-MRXNPFEDSA-N 377.466 2.646 0 40 GFAB COc1ccc([C@@H]2N(C(C)=O)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 18217904 PRDUENRFNDWVNK-QRWLVFNGSA-N 388.489 2.944 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1OC 408567740 RCSFOXAKAQURNF-YRNVUSSQSA-N 397.431 2.555 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c[nH]c2ccccc12 6712092 WFGUIPHVIZWBTP-UHFFFAOYSA-N 387.461 2.608 0 40 GFAB CCN(C(=O)CSc1cc(C)c2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 5862242 ARVGDSNXAZCJFC-CQSZACIVSA-N 378.519 2.671 0 40 GFAB Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C1CCCC1 4945193 IQKVVDKRAODZMT-UHFFFAOYSA-N 395.438 2.760 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 6915110 DIJGVIJEQHJNMN-AWEZNQCLSA-N 394.518 2.743 0 40 GFAB COc1cc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)ccc1NC(C)=O 67482273 BRXPZBDVTHGVEA-IBGZPJMESA-N 395.459 2.826 0 40 GFAB CCc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 7268133 MMFJWOWVSRMQGA-AWEZNQCLSA-N 383.448 2.875 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)OCc2cc(-c3cccs3)on2)C1=O 7773800 KVTKLGNHEMJTCS-UHFFFAOYSA-N 377.422 2.557 0 40 GFAB CC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 7781653 YBSNWMWYABDESZ-QGZVFWFLSA-N 395.521 2.842 0 40 GFAB Cc1oc(C)c(C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1Br 84008242 ZAGCLOIJYNRPCE-KBVBSXBZSA-N 388.258 2.840 0 40 GFAB COc1ccc(OC)c(CN(C(=O)c2ccc(N3CCOCC3)nc2)C2CC2)c1 25809026 WWVXGAQJHAMWNG-UHFFFAOYSA-N 397.475 2.740 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccccc1OC 20030179 CCTLCFDKZGWEMX-CYBMUJFWSA-N 392.477 2.591 0 40 GFAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1=O 9867854 SGGFTTCKAIJYKV-DJJJIMSYSA-N 386.477 2.680 0 40 GFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@@H]1C[C@H]1c1ccco1 95385592 RABMLBOXTGEMGU-ZIAGYGMSSA-N 376.434 2.512 0 40 GFAB CSCc1ccc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)n2)cc1 95976546 JWLFCVGVECGZTQ-UHFFFAOYSA-N 398.532 2.861 0 40 GFAB CC(C)(C)OC(=O)[C@@](C)(O)CNS(=O)(=O)Cc1c(Cl)cccc1Cl 95943742 FGGODKMDQMWJGY-HNNXBMFYSA-N 398.308 2.506 0 40 GFAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 89272041 GENZSRJJZMPXGN-AWEZNQCLSA-N 382.416 2.848 0 40 GFAB CC(=O)N(C)Cc1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 33177524 ATIVWIKYUADSSS-UHFFFAOYSA-N 378.432 2.786 0 40 GFAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCc2[nH]c3ccccc3c2C1 524732753 ZMDWGYXKPAMFSM-UHFFFAOYSA-N 390.472 2.892 0 40 GFAB O=C(c1cccs1)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306132406 LHSWZHUQKVLQMB-SJORKVTESA-N 378.457 2.666 0 40 GFAB O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccc(O[C@H]2CC2(F)F)cc1 529198777 KTWRLMLDXAOCFH-BFCHXHEXSA-N 387.426 2.712 0 40 GFAB CCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 39985392 SZTNHHGSIDDRQZ-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB CCc1ccc([C@H](CO)NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 537785761 BWRCRDHXCKBLLK-KUHUBIRLSA-N 393.480 2.790 0 40 GFAB CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@@H]34)n2)cc1 558631339 OXTJCFFBOZCYRD-DLHCESSKSA-N 389.455 2.803 0 40 GFAB CC1(C)[C@@H](C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)[C@H]1C(=O)O 71288688 MJLRIFZRTSPKQX-MSOLQXFVSA-N 382.416 2.999 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 70922212 AURXRLZTQPIWMY-UHFFFAOYSA-N 389.521 2.984 0 40 GFAB Cc1noc(-c2cccn3c(CNC(=O)Cc4ccccc4Cl)nnc23)n1 225749290 JTUSZRWERFLRHQ-UHFFFAOYSA-N 382.811 2.600 0 40 GFAB Cc1ccc(C(=O)NCCCN2CCCCC2)cc1N1CCCCS1(=O)=O 224397071 LQRNMDUPZJIWDO-UHFFFAOYSA-N 393.553 2.531 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2ccccc2C)c1 224833200 FLOHSZAFYYXHOI-UHFFFAOYSA-N 379.503 2.993 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1C 224488772 RIKIGTDEUQCPMK-KRWDZBQOSA-N 390.505 2.508 0 40 GFAB C[C@H]1C[C@H](NC(=O)c2ccnc(OC(F)F)c2)c2ccsc2S1(=O)=O 571393978 XCVRVYCYVCUZLD-KWQFWETISA-N 388.417 2.782 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc12 96242314 FCTXNGDDQYYFGD-OAHLLOKOSA-N 376.522 2.526 0 40 GFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cnc2[nH]c(O)nc2c1 578050129 NOBXJLLFJFYXRE-INIZCTEOSA-N 385.855 2.884 0 40 GFAB O=C(c1cccs1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143014 BPTLSQGIUXATFZ-IBGZPJMESA-N 388.514 2.904 0 40 GFAB CCc1ccc(C(=O)N2CCc3c(CNc4ncccn4)nn(C)c3C2)cc1 96255910 QTAYYKXVPPJKSO-UHFFFAOYSA-N 376.464 2.583 0 40 GFAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1sc2ncnc(O)c2c1C 257230350 GBXLVROIIXXSJS-DJJJIMSYSA-N 388.493 2.711 0 40 GFAB O=C(CO)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)CN2Cc1ccccc1 257282209 OSWJNYYRMQYJGH-BJLQDIEVSA-N 386.442 2.774 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)c2cnn(C)c2)n1 257259824 LAFGNZJOYVDACT-QGZVFWFLSA-N 380.452 2.719 0 40 GFAB Cn1nccc1C(=O)N1[C@H]2CCCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257285129 PFUIWJKLGHNKEF-LZNRXBQRSA-N 380.492 2.695 0 40 GFAB COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 634096324 UMVJMYPINAVSEU-HKUYNNGSSA-N 384.480 2.909 0 40 GFAB COc1cccc2sc(OC3CN(C(=O)c4ccc5c(c4)OCO5)C3)nc12 90594192 MIPDVAFTJKLDDF-UHFFFAOYSA-N 384.413 2.937 0 40 GFAB CO[C@H](C)c1nsc(NCC2(O)CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)n1 1615611993 STYJZVMGGUVWKD-KDOFPFPSSA-N 394.541 2.757 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365860 KAMLLTHSSKFMPL-HNNXBMFYSA-N 399.921 2.885 0 40 GFAB COc1ccc(CN2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 585100263 JDRQVBWUEDYOCU-QHCPKHFHSA-N 399.535 2.665 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccccc3)c3ccccc3[C@@H]1[n+]1ccccc12 5120979 DKMUFSBYSWBWDW-DHLKQENFSA-N 398.438 2.868 0 40 GFAB CCn1c2cc(C)oc2c2cnn([C@H](C)C(=O)NCc3ccncc3)c(=O)c21 12117742 TWDCFOLLYOSBIV-CYBMUJFWSA-N 379.420 2.545 0 40 GFAB COc1cc(-c2nn(CN3C[C@H](C)O[C@H](C)C3)c(=S)o2)cc(OC)c1OC 12604321 CLSPITKJKCEVNV-TXEJJXNPSA-N 395.481 2.965 0 40 GFAB Cc1c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)[nH]c2c1C(=O)CCC2 12915001 GAMSUJITWIINCR-UHFFFAOYSA-N 391.353 2.834 0 40 GFAB CC(C)(C)c1cccc(OCC(=O)NCc2ccc(N3CCOCC3)nc2)c1 13014752 ZQOJXCHEFBNEEQ-UHFFFAOYSA-N 383.492 2.911 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210549 HHFWRFGKCJOBML-PABYOWBDSA-N 392.455 2.685 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1csc(-c2ccccc2)n1 19665421 CCOLKGUDESXPTJ-UHFFFAOYSA-N 399.497 2.589 0 40 GFAB CC(C)c1ccc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)n(C)c(=O)n4C)cc1 19821128 NBMVZWDPUMQFBC-OAHLLOKOSA-N 377.444 2.668 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1ccnn1C 19017528 HDPVLTUQKBDWKS-ZVDOUQERSA-N 398.482 2.959 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc([C@H](C)O)s2)CCCC1 225684536 OCKBVRUURNJELD-AWEZNQCLSA-N 397.566 2.942 0 40 GFAB COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@H]43 230182277 GWYVXPNMQFBXRS-GEFFGTOZSA-N 380.488 2.871 0 40 GFAB biogenic,in-vitro CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)c3ccncc3)CC2)C1 12366417 OJDATHSVKFRFKE-QFIPXVFZSA-N 379.460 2.888 0 40 GFAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cncc(Br)c1 3258770 IMASPALPGGWOJU-UHFFFAOYSA-N 375.222 2.586 0 40 GFAB COc1ccc([C@H](CNC2=NS(=O)(=O)c3ccccc32)N2CCCC2)cc1 7004832 LUGMRGNNWDULKA-SFHVURJKSA-N 385.489 2.571 0 40 GFAB Cc1cccc(N2CCN(C(=O)CN3C(=O)CC4(CCCCC4)C3=O)CC2)c1C 7047009 WYBWXHIXVATZEZ-UHFFFAOYSA-N 397.519 2.661 0 40 GFAB CCc1ncnc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c1F 1888869675 MYIHLQMGFVVPMN-UHFFFAOYSA-N 383.427 2.616 0 40 GFAB O=C(NCc1ccc(F)cc1)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888882126 DMFKAMILCDXJDE-IAGOWNOFSA-N 381.455 2.771 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cccc(C)n2)c1 24755577 NFXIPDOKMQBBOU-UHFFFAOYSA-N 390.509 2.739 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)c1ccc2c(c1)OCCO2 37330605 ZRUMNMUVULUOEG-UGSOOPFHSA-N 393.443 2.870 0 40 GFAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1ccc2ncn(C)c2c1 12462424 WFQCKYDNMKHYOH-UHFFFAOYSA-N 384.461 2.809 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)CC(C)(C)C)CC3)cc1 4586277 ZBZFTJSVDCYPEQ-UHFFFAOYSA-N 394.537 2.771 0 40 GFAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C(=O)N1CCCC1 4941775 DEQUFOVRPIAKQE-UHFFFAOYSA-N 376.869 2.833 0 40 GFAB CCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 5329073 KJOYHVGJMQHMOK-UHFFFAOYSA-N 398.481 2.729 0 40 GFAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCOCC2)cc1 22854279 ZPEWBBXOTVHBEN-MRXNPFEDSA-N 388.493 2.879 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cnc3ccccc3n2)N2CCOCC2)cc1 42381933 DIMNHLWWYIMXAZ-OAQYLSRUSA-N 376.460 2.742 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc(=O)n1C 585326509 QUYYSJJAYDPZOR-UHFFFAOYSA-N 398.488 2.829 0 40 GFAB CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)N(C)C)cc1 40063377 SQZQWUALCUEUKL-UXHICEINSA-N 381.524 2.675 0 40 GFAB COc1ccc(-c2n[nH]cc2CNCc2ccnc(N3CCOCC3)c2)cc1 30900474 QSYLMXIIBGFFPP-UHFFFAOYSA-N 379.464 2.607 0 40 GFAB CCOC(=O)CC1=CSC2=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N12 2438014 DRCMHFSDHXRDDS-UHFFFAOYSA-N 377.266 2.730 0 40 GFAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ncn[nH]1 20530523 CEIIOIMHIAPLNP-UHFFFAOYSA-N 377.433 2.783 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)n1N 3600302 PQHDMZDTKBVPMH-CYBMUJFWSA-N 395.488 2.737 0 40 GFAB Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(Cl)cc1 4288088 LIBGJELADWAUCN-UHFFFAOYSA-N 387.896 2.763 0 40 GFAB CCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 101459994 RAUJXUMINWEYQP-KRWDZBQOSA-N 385.851 2.570 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)ccc21 6535250 KLNQCBNXSRUJNR-KBPBESRZSA-N 385.464 2.671 0 40 GFAB CS(=O)(=O)c1cc(C(=O)NCCCN2CCc3ccccc32)ccc1Cl 29521319 GXWARWDCRWAEOV-UHFFFAOYSA-N 392.908 2.926 0 40 GFAB Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 7758816 IVSNTVGRSUWFRU-UHFFFAOYSA-N 395.864 2.994 0 40 GFAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 7758840 NFPWLUVJBDNESF-UHFFFAOYSA-N 381.837 2.686 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)CCc2nc(-c3cccs3)no2)cc1 7848863 ZWIPOZLHTIJPLK-UHFFFAOYSA-N 384.461 2.749 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)C4CC4)nn3c2O)C1 100234047 GVWJSMHIDAFANR-GOSISDBHSA-N 383.496 2.665 0 40 GFAB O=c1c2ccccc2nc(CN2CCOCC2)n1CCCOc1ccc(F)cc1 32741490 JYJJHWYHESPDDJ-UHFFFAOYSA-N 397.450 2.837 0 40 GFAB O=C1CCCCCN1Cc1nnc(SC[C@@H]2CCCO2)n1-c1cccnc1 32727395 LOVVATCMBSLXGQ-INIZCTEOSA-N 387.509 2.836 0 40 GFAB CN(C(=O)/C=C/c1cccc(OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 32892932 FOQQJSWYWSWCQX-VYENPZKTSA-N 385.485 2.924 0 40 GFAB Cc1ccc(CCC2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 32895799 AGVPLWWAKNVWBO-ROUUACIJSA-N 380.554 2.994 0 40 GFAB O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 33028141 OYZUBJQIWIEDRT-UHFFFAOYSA-N 399.447 2.994 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)NCc1cccc2ccccc12 100466517 PLYFRCIGULBKGZ-SOJYOXCPSA-N 386.451 2.509 0 40 GFAB CCSc1nnc(C(F)F)n1NC(=O)Cn1nc(C(F)(F)F)cc1C 2792501 SRCJBCMXSBHZIW-UHFFFAOYSA-N 384.334 2.622 0 40 GFAB Cn1ncc2c(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)ncnc21 22357172 VBMPSQCOIOMJMN-UHFFFAOYSA-N 376.386 2.704 0 40 GFAB CCN1CCC[C@H]1CNCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 22793347 FBSFGYUFBHPDHW-HNNXBMFYSA-N 386.521 2.526 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 20458943 KGVLATBVFCEQTH-GOSISDBHSA-N 392.477 2.887 0 40 GFAB CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051544 FFMKXDONBTYAJX-UHFFFAOYSA-N 379.912 2.626 0 40 GFAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 24613563 VAWAIYFIIPYINE-UHFFFAOYSA-N 390.487 2.521 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1 1340448 WGOCKMBIYCJUQX-UHFFFAOYSA-N 375.454 2.696 0 40 GFAB aggregator S=C(NCc1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25425460 GDRWLNFBDYRDNF-UHFFFAOYSA-N 375.519 2.669 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-c2nc(-c3cccnc3)n[nH]2)cc1 71284315 LIKCKADIHDKXNY-LSDHHAIUSA-N 377.404 2.829 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1 12516091 FEBJHWVLPBQSGH-UHFFFAOYSA-N 383.473 2.658 0 40 GFAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCOCC2)cc1 22225890 VXWGWNKFMDLXFA-NRFANRHFSA-N 379.460 2.705 0 40 GFAB COc1ccc(OCCN(C)C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1 23648240 ORHHOMNPVALGAO-UHFFFAOYSA-N 396.443 2.527 0 40 GFAB CN(C)[C@H](CNC(=O)NCCNC(=O)c1ccccc1Cl)c1ccccc1 58439598 RHPPZQWJMZAWAQ-GOSISDBHSA-N 388.899 2.672 0 40 GFAB COc1ccc(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 28231806 RUKLDEWJTPGBRE-OAHLLOKOSA-N 379.503 2.515 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 12780902 PXLITUCHNYBCOV-HNNXBMFYSA-N 391.493 2.569 0 40 GFAB O=C(CSc1nc(C2CC2)n[nH]1)N1CCN(Cc2ccc(Cl)s2)CC1 12785315 AUPBZFJDUNOFPQ-UHFFFAOYSA-N 397.957 2.834 0 40 GFAB O=C(NCC1(c2ccc(F)cc2)CC1)C1CCN(C(=O)c2cccnc2)CC1 48289820 DFGDJDYTIUDLQW-UHFFFAOYSA-N 381.451 2.921 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)C[C@H](C)O1 48354090 OZJNRTCDUXHQQX-KBPBESRZSA-N 381.436 2.608 0 40 GFAB Cc1ccc2nc3c(c(C(=O)OCC(=O)NC[C@H]4CCCO4)c2c1)CCCC3 3417214 VVWBNLXOEUQIOL-OAHLLOKOSA-N 382.460 2.874 0 40 GFAB NS(=O)(=O)c1ccc(CCNc2nc(C(F)(F)F)nc3ccccc23)cc1 8394765 VGBHTAPYRAYPCQ-UHFFFAOYSA-N 396.394 2.951 0 40 GFAB CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc2c3c(cccc13)CC2)C(=O)OC 12901971 YEWSMSVBJWDVEY-RBZFPXEDSA-N 383.444 2.799 0 40 GFAB COc1cccc(CC(=O)Nc2nc(Cc3n[nH]c(=S)n3C)cs2)c1 12980351 SZZRWDAAQYMVDO-UHFFFAOYSA-N 375.479 2.715 0 40 GFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1CN1CCCC1 13315601 DGSSPBSIFUDZGH-UHFFFAOYSA-N 388.489 2.768 0 40 GFAB O=C(COc1coc(CN2CCCC2)cc1=O)NCc1ccccc1Cl 49544976 WOUGQHYULZCSTR-UHFFFAOYSA-N 376.840 2.584 0 40 GFAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(c2cccc(Cl)c2)CC1 6079767 FGTCNGCVXZSOBJ-UHFFFAOYSA-N 385.899 2.695 0 40 GFAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1Cc2cc(Cl)ccc2O1 39995519 JTCJABUVZRZEKI-OAHLLOKOSA-N 379.869 2.571 0 40 GFAB NC(=O)N[C@H](CC(=O)N1CCN(c2ccccc2Cl)CC1)c1ccccc1 8747316 AZXBLSWRDSDKDQ-QGZVFWFLSA-N 386.883 2.788 0 40 GFAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505281 DUXRDIJSNFYQRA-KRWDZBQOSA-N 381.519 2.818 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C(=O)N1CCCC1 5473372 QVTZKRLAUGQJPH-SOUVJXGZSA-N 398.381 2.692 0 40 GFAB COc1cc(C)c(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)cc1OC 14347910 WFAZPAWANLWTCK-UHFFFAOYSA-N 377.466 2.697 0 40 GFAB Cc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 4691350 UIDNAQNLKSPIDP-UHFFFAOYSA-N 392.546 2.811 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)c1ccccc1Cl 18700585 UYQIRQBYWWRPSI-UHFFFAOYSA-N 394.880 2.811 0 40 GFAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 8878702 GHVFAIDHZPDGTD-GXSJLCMTSA-N 385.852 2.764 0 40 GFAB CN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1cccc(Cl)c1 6907338 HDXOSIOPMFAUKZ-UHFFFAOYSA-N 378.881 2.940 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 15190881 YVGSRNMNNOOXGM-UHFFFAOYSA-N 396.410 2.974 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCSCc1ccccc1F 7638642 PIXVTECTOZFFBW-UHFFFAOYSA-N 387.484 2.862 0 40 GFAB CCCNc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)s1 7793565 CTJIVIJYDMHYKK-UHFFFAOYSA-N 391.522 2.983 0 40 GFAB CCc1c(C)nc2n(c1=O)[C@@H](c1ccccn1)N=C(Nc1ccc(OC)cc1)N2 9061044 JMETZXCZGVGHDX-SFHVURJKSA-N 390.447 2.958 0 40 GFAB O=C(Nc1ccccc1)C1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 8004154 HWLBZTSRJZVCMD-UHFFFAOYSA-N 377.444 2.633 0 40 GFAB CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 89977213 CAZRVGSBVPONLY-SIKLNZKXSA-N 386.584 2.572 0 40 GFAB CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C 95415936 GMVICFGDNAETBD-INIZCTEOSA-N 378.469 2.785 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cnn(Cc2ccccc2Cl)c1 21843425 WXCKDZFFXRFBDQ-UHFFFAOYSA-N 379.811 2.813 0 40 GFAB COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OC 30862289 JKMDTHBOHKAUPN-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB CCN(CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339035 SBJVCDHWJCQQIQ-UKTRLQBQSA-N 399.535 2.789 0 40 GFAB CCN1C[C@H](c2ccn3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 72352923 ZQNDEPYCGMQVDG-GFCCVEGCSA-N 383.839 2.971 0 40 GFAB Cc1csc(COc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)n1 56907714 NWZAAIWXQVORGR-UHFFFAOYSA-N 395.488 2.783 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](CC(C)C)C(=O)O 35686282 WCVTZBPEJRDJKH-HNNXBMFYSA-N 375.421 2.658 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)Sc1nc2nc(C)c(C)c(C)n2n1 40119210 XOCUOIFZXVOUHG-CQSZACIVSA-N 385.493 2.855 0 40 GFAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72403398 IWRXYXNHWGKRTG-OAHLLOKOSA-N 382.445 2.981 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)c(Cl)cc21 223349893 WOUMNHMNMZHBIO-UHFFFAOYSA-N 378.837 2.926 0 40 GFAB CCc1cc(N2C[C@@H](C(=O)OC)CC2=O)cc(C)c1I 45889706 VMRFLSDVBKATJB-NSHDSACASA-N 387.217 2.688 0 40 GFAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(OC)c(OC)c2)c1=O 225969520 RRHTVMFAUVWZKT-UHFFFAOYSA-N 388.420 2.655 0 40 GFAB CN(c1cccc(NC(=O)COc2cccc3c2CCCC3)c1)S(C)(=O)=O 225348014 SDAKLZKNWABSNU-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1 220166455 HABAJTMMUQTXCB-HNNXBMFYSA-N 380.510 2.856 0 40 GFAB CCn1nc(C)c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1C 96183254 UCCRKGFIMSBJAX-UHFFFAOYSA-N 376.482 2.940 0 40 GFAB C[C@@H]1Cc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@H]4C3)ccc2N1S(C)(=O)=O 253593944 FFGZQGVHUYYKTP-JIYIMXKPSA-N 392.565 2.943 0 40 GFAB Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257249326 JHRULEIJPSCWHU-QGZVFWFLSA-N 392.529 2.563 0 40 GFAB Cc1ncc(-c2ccc(C[C@@H]3CCCN(CC4(O)CCOCC4)C3)cn2)n1C 257223950 DZQJMDIUUBGDLH-IBGZPJMESA-N 384.524 2.587 0 40 GFAB CCN(CC)C(=O)CN1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 257295785 QZVURGQJDQCLAE-CQSZACIVSA-N 388.537 2.656 0 40 GFAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)CCCn3cccn3)C2)cn1 257281668 OQJYGMVQCUGPCT-QGZVFWFLSA-N 394.479 2.816 0 40 GFAB O=C(NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1ncc2ccccc2c1O 613086611 CRQZJMVZHPKRGV-GFCCVEGCSA-N 391.353 2.902 0 40 GFAB Cc1cn(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)nc1C(F)(F)F 624453429 BADIRDXDAAECQM-UHFFFAOYSA-N 386.355 2.712 0 40 GFAB O=C(O)c1nccc2c(S(=O)(=O)N3CCC([C@H]4CCCO4)CC3)cccc12 573482323 APZZQJYJOOXBPV-MRXNPFEDSA-N 390.461 2.513 0 40 GFAB O=C(c1ccnc(F)c1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 585108506 PKUMBDONBXLHCB-NQIIRXRSSA-N 385.439 2.844 0 40 GFAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(Cc1ccncc1)C2 70017739 RMJFWRDIGBLOHB-UHFFFAOYSA-N 390.491 2.667 0 40 GFAB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)cc1 5143511 JVNPKCZGDCJKAJ-UHFFFAOYSA-N 388.431 2.567 0 40 GFAB C[C@H](SCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15493626 FJFQSLUECDKUFL-ONGXEEELSA-N 382.334 2.918 0 40 GFAB CC(C)Oc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1 19450682 MWPQHNCRCVRUIE-UHFFFAOYSA-N 391.475 2.615 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H](NC(=O)c3cnccn3)CC1)n2C 19749126 WLXPRBCZLHODAC-QGZVFWFLSA-N 391.475 2.701 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccco1 19818338 HFYOHLMJLGODLQ-ROUUACIJSA-N 397.431 2.781 0 40 GFAB CC(C)c1noc(CN2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1 225822068 LBANNRFISQYIOG-UHFFFAOYSA-N 383.452 2.626 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)C[C@H]2C=CCC2)CC1 12187278 LRQJTGDMKGFRJV-KRWDZBQOSA-N 395.503 2.669 0 40 GFAB CCc1nccn1CCC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12221294 PRRJKEFXQLPFCN-UHFFFAOYSA-N 380.452 2.687 0 40 GFAB Cc1nc2cc([C@H]3CCCN3C(=O)CCc3cc(Cl)no3)nn2c(O)c1C 12336972 LEIVKHVUFUTKSZ-CQSZACIVSA-N 389.843 2.989 0 40 GFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCn1nnc2ccccc2c1=O 32193000 UMTRFCPWIFORON-UHFFFAOYSA-N 390.365 2.859 0 40 GFAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)nc1 1889218126 OJKFBUBTPWTPOC-GOSISDBHSA-N 377.492 2.947 0 40 GFAB O=C(O)CCCCCOC(=O)[C@H](NC(=O)CCCCCO)c1ccccc1 2060999809 ROMUJHDCUBCROV-LJQANCHMSA-N 379.453 2.585 0 40 GFAB Cc1nc(CN2C[C@@H]3CN(C(=O)CCc4ccccc4F)C[C@@H]3C2=O)cs1 1565555381 ZQXZOKDKXMXTCL-RDJZCZTQSA-N 387.480 2.640 0 40 GFAB Cc1csc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)n1 4478992 BWGFSDAPTHEGNG-UHFFFAOYSA-N 383.462 2.682 0 40 GFAB CC(C)S(=O)(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 8840294 CYZDYCBLLBNAAS-UHFFFAOYSA-N 394.518 2.584 0 40 GFAB O=C(CCc1csc(NS(=O)(=O)c2ccccc2)n1)N1CCCCC1 16848375 OHSSPJAQXRNFJT-UHFFFAOYSA-N 379.507 2.889 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)c1 17123131 VNSSMAXVEDVEBM-OAQYLSRUSA-N 395.503 2.903 0 40 GFAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCOCC1 22765699 HGNDXBQGQUNAHR-QGZVFWFLSA-N 380.897 2.970 0 40 GFAB COCCN(Cc1ccco1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 30337345 MSCHUBIZOXKVFA-UHFFFAOYSA-N 398.868 2.655 0 40 GFAB COc1ccc([C@H](CC(=O)NCc2ccc(-c3ccn[nH]3)cc2)NC(C)=O)cc1 40115626 GEGHHUFGKRREQQ-NRFANRHFSA-N 392.459 2.969 0 40 GFAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NC[C@H]1COc2ccccc2O1 31041736 XHTFXWVMLFBMSA-NSHDSACASA-N 388.474 2.625 0 40 GFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4ccccn4)CC3)c2c1 20727398 VPTJXUGMNAAUBN-HXUWFJFHSA-N 380.448 2.515 0 40 GFAB CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccccc2F)CC1 4898090 ATAHVNAIRPTGMH-UHFFFAOYSA-N 382.443 2.989 0 40 GFAB COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 6055406 JXJCEFPLVCKQAL-UHFFFAOYSA-N 386.795 2.725 0 40 GFAB COc1ccc(C(=O)Nc2nc3[nH]c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 101809792 SKYMBXSSUSWYDH-UHFFFAOYSA-N 389.415 2.578 0 40 GFAB COCCc1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cn1 100763653 WYCWIFRBVXJXAA-QZTJIDSGSA-N 383.492 2.689 0 40 GFAB CCOC(=O)C1=C(COc2ccc(F)c3c2C(=O)C[C@H]3C)NC(=O)N[C@@H]1CC 32789286 HIPNUZROYJJLIC-ZYHUDNBSSA-N 390.411 2.803 0 40 GFAB O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCO2 2662326 KJDLSUVIKUAZQW-UHFFFAOYSA-N 383.400 2.507 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1C 32764776 SQMOKVDMQIMNQN-UHFFFAOYSA-N 391.493 2.695 0 40 GFAB CCOc1ccc(CN(CC)C(=O)c2ccc(-c3nnn[nH]3)cc2)cc1OC 32738438 NRJPIEPHZHNHIM-UHFFFAOYSA-N 381.436 2.936 0 40 GFAB Cc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 32862452 YVZOHILTCKMZNE-UHFFFAOYSA-N 389.521 2.822 0 40 GFAB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O[C@@H](C)C(=O)O)C1=O 8571262 KFCOAPGMGXMNIC-JMRXEAOASA-N 394.383 2.513 0 40 GFAB COc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1 11914062 GSGKMGLCKCTLQM-HXUWFJFHSA-N 379.416 2.637 0 40 GFAB CCN1C[C@@H](c2cc(O)n3ncc(C(=O)Nc4cccc(Cl)c4)c3n2)CC1=O 100665843 VIPMOKQODBOHIY-NSHDSACASA-N 399.838 2.676 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 3026083 QRFVKRLYMYMRGX-INIZCTEOSA-N 386.835 2.876 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(F)cc1 22335759 PJMITDJROJGQOM-SFHVURJKSA-N 376.453 2.786 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 22779136 IHURDRJYARDOEE-UHFFFAOYSA-N 389.507 2.824 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 24837443 VDGJQMMHDDMDMO-UHFFFAOYSA-N 387.335 2.861 0 40 GFAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1389875 XHIQGNCBSFXMNR-UHFFFAOYSA-N 398.406 2.852 0 40 GFAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CCNC(=O)[C@H]2C[C@H]2C)c1C 55493500 JYTAPBMFASAFNF-QAPCUYQASA-N 382.508 2.918 0 40 GFAB CCN(C(=O)COC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccccc1 25019928 BTFPADFAOMKSKZ-UHFFFAOYSA-N 390.386 2.681 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)O)cc1)O[C@@H](C)C2 12560513 VQKJVCMXOXCVLW-NSHDSACASA-N 377.418 2.908 0 40 GFAB CCN(CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccc(C)c1 12557345 XYQOKYAAUOKCMJ-UHFFFAOYSA-N 381.398 2.818 0 40 GFAB O=C(O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F 3268047 FDCARSJLJIFTCB-CQSZACIVSA-N 385.363 2.906 0 40 GFAB COCCn1c(SCC(=O)NC2CCCCC2)nc2ccsc2c1=O 57425677 XMTWBMKTNFKXLO-UHFFFAOYSA-N 381.523 2.645 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)c1ccccc1 62022794 GNJOYZOGGXECFT-AEFFLSMTSA-N 376.464 2.756 0 40 GFAB CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 58160946 DNNQIIKUYBUCMG-IBGZPJMESA-N 379.460 2.609 0 40 GFAB O=C1CN(S(=O)(=O)c2ccc(Cl)s2)C[C@@H]2c3ccccc3CCN12 36071110 VHJJWGAPUNKZOC-CYBMUJFWSA-N 382.894 2.532 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 409146341 SLKVKZGVPBGVMB-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB O=C1CCc2cc(S(=O)(=O)Nc3cc4c(cc3Cl)OCO4)ccc2N1 28782420 PGECPFVYPZWBDR-UHFFFAOYSA-N 380.809 2.754 0 40 GFAB Cc1cc(=O)n2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)sc2n1 12797322 DHKJSFHWJFFVRU-HNNXBMFYSA-N 398.488 2.958 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)C[C@H](C)NC(=O)c2ccccc2)c1C 12786603 RWBXITXKHPWVRS-INIZCTEOSA-N 381.476 2.909 0 40 GFAB Cc1nc2cc(F)cc(C(=O)NCc3ccc(-n4cccn4)nc3)c2nc1C 48234850 DMUQBBWRJNDVDH-UHFFFAOYSA-N 376.395 2.896 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C[C@@H](O)COCc2ccccc2)CC1 48260852 LKBAAIMXSAOQAA-JOCHJYFZSA-N 382.504 2.593 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1OC1CCCC1 48369188 XJQXFQSVNWOHMM-UHFFFAOYSA-N 396.443 2.783 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3456873 GTEGVBUNXFAAHZ-IBGZPJMESA-N 387.823 2.754 0 40 GFAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC[C@H]1CCCO1 8327068 YFFHETZNAAFILP-UKRRQHHQSA-N 383.477 2.591 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@@H]1CCCN1C(=O)OCc1ccccc1 4029166 GMUYSWQSSRROPG-MOPGFXCFSA-N 396.443 2.600 0 40 GFAB biogenic,in-vitro COC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 4281896 DQJCYEDLMBWMFG-RDJZCZTQSA-N 397.818 2.556 0 40 GFAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccs4)c3)c2)n1 65250918 QOXLKOIZQARISB-UHFFFAOYSA-N 380.433 2.871 0 40 GFAB Cc1cc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c(C)n1C1CC1 4493257 JQYYIEPRDZXCBE-UHFFFAOYSA-N 379.416 2.645 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3C(N)=O)c(Cl)cc12 5347496 CGYZJSSXNQZOBF-UHFFFAOYSA-N 386.791 2.871 0 40 GFAB Cc1nnc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)s1 14241699 OEDCVFOGCXUFNP-UHFFFAOYSA-N 375.479 2.905 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1)OCc1nc2ccccc2s1 6541547 FAKKKTUXMMJCIG-UHFFFAOYSA-N 376.459 2.708 0 40 GFAB COc1ccc(NC(=O)c2ccccc2NC(=O)CNC[C@@H]2CCCO2)cc1 6566487 XFEMIARKVJDRSB-KRWDZBQOSA-N 383.448 2.655 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O 6755237 SECGTWJEFWVFAP-UHFFFAOYSA-N 383.791 2.925 0 40 GFAB CCNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1OC 6994217 KMKCJGYCVPUVFJ-CQSZACIVSA-N 389.525 2.883 0 40 GFAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c(C(N)=O)c(C)c1C 8704913 MQAPIZLZWYJIBP-UHFFFAOYSA-N 387.461 2.608 0 40 GFAB CCCn1c(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]c1=O 7364981 JKLPFGGRHMKWCS-OAHLLOKOSA-N 388.537 2.943 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1 7742683 UIWHUSXLWSJWRA-UHFFFAOYSA-N 382.821 2.970 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(=O)c2ccccc2[nH]1 9471066 MBKJCZZTUHJTHC-UHFFFAOYSA-N 377.444 2.637 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O 72295591 RPDURRHRVRVQQO-QGZVFWFLSA-N 388.514 2.911 0 40 GFAB CC(C)C[C@H](C(=O)N[C@@H]1COc2ccccc21)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 84456760 MJTSXZARNDNXQG-CYGHRXIMSA-N 382.460 2.602 0 40 GFAB Cc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c2cccnc12 78624289 QATAMXMFTGOILE-IAGOWNOFSA-N 390.505 2.892 0 40 GFAB CCc1cccnc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 89289592 KKQYNRWEJKEJNV-UHFFFAOYSA-N 387.505 2.830 0 40 GFAB CC(C)(C)c1ncc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)s1 64522805 JQGANYXKTWPQPB-LLVKDONJSA-N 385.580 2.531 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408588197 CWXWKXZXVPHKIZ-AWEZNQCLSA-N 392.477 2.569 0 40 GFAB O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccc(Cl)cn1 31744186 AAOGBVACRAGILQ-UHFFFAOYSA-N 396.628 2.862 0 40 GFAB C[C@H](NC(=O)c1c(-n2cnnn2)sc2c1CCC2)c1nc2ccccc2[nH]1 524734319 SIFHPPAIAFYENE-JTQLQIEISA-N 379.449 2.580 0 40 GFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 32998012 ZUHXWDDYAWPAQV-JZXOWHBKSA-N 378.538 2.808 0 40 GFAB CN(CC(=O)Nc1cccc(NS(C)(=O)=O)c1)c1nc2ccccc2s1 70640860 PEWBQRLWRBTGSM-UHFFFAOYSA-N 390.490 2.743 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 219668978 NJVJRMOVJTWQMK-OAHLLOKOSA-N 386.473 2.715 0 40 GFAB COC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218124774 PKVFIFUSPJJAJM-SQNIBIBYSA-N 381.881 2.632 0 40 GFAB Fc1ccc(-c2cc(CN3CCN(C4CCCC4)CC3)c3nnnn3c2)cc1 72392357 WZIQDTQNCNZNCH-UHFFFAOYSA-N 380.471 2.991 0 40 GFAB O=C(O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NC2CCCCCC2)c1 217451930 JOYYQARYZZPWGH-MRXNPFEDSA-N 396.509 2.977 0 40 GFAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71980120 YMXOYDYGLMMDNT-CQSZACIVSA-N 387.263 2.731 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 223706901 GNKFIAQDENTGRQ-HNNXBMFYSA-N 380.510 2.856 0 40 GFAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccs1 225130277 ZLYPDUDQTZNPOT-UHFFFAOYSA-N 375.855 2.778 0 40 GFAB COc1ccc(C2(C(=O)N[C@H](C)c3nnc4ccccn34)CCOCC2)cc1 96118215 HGZQFDWXGLGSFD-OAHLLOKOSA-N 380.448 2.664 0 40 GFAB Cc1cccc2c1nc1n2[C@@H](CNS(=O)(=O)c2ccc(F)cc2)COC1 96112613 FHPHBBWVJAGKDU-AWEZNQCLSA-N 375.425 2.534 0 40 GFAB biogenic,in-vitro CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc12 96242313 FCTXNGDDQYYFGD-HNNXBMFYSA-N 376.522 2.526 0 40 GFAB O=C(NCC1CC1)[C@@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)c2ccccc21 96079320 QPQBWMHJMKWITO-QGZVFWFLSA-N 378.476 2.597 0 40 GFAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1 257281191 OOBQQGMUCGVQHE-GMAHTHKFSA-N 396.487 2.820 0 40 GFAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)COc3cccnc3)CC2)C1 257337715 YUBWBOXRPJBYSX-LJQANCHMSA-N 381.476 2.747 0 40 GFAB Cc1c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)sc2ncn(C)c(=O)c12 257200417 ADFYYJVTBKJHLG-XOBRGWDASA-N 388.537 2.782 0 40 GFAB Cc1ncsc1C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1 257216087 CTAXWUOGAYWNRS-WFASDCNBSA-N 393.896 2.890 0 40 GFAB O=C(O)C1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 263003313 GKSIKIMZZKWZKK-UHFFFAOYSA-N 393.241 2.963 0 40 GFAB COCCn1cc([C@@H]2OCC[C@H]2Nc2ncnc3c(F)c(OC)ccc23)cn1 596305629 WHBBPVDTBSPDIL-KDOFPFPSSA-N 387.415 2.563 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2sccc2C)c(C)c1 90583495 NTHSFDODNRRVMH-AWEZNQCLSA-N 382.507 2.725 0 40 GFAB O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CCN(Cc2cccnc2)CC1 678630224 QWVMYBQGBUKXSC-INIZCTEOSA-N 396.318 2.946 0 40 GFAB C[C@H]1C(=O)Nc2cc(C(=O)N3CC[C@@H](Oc4cccc(F)c4)C3)ccc2N1C 680117910 IHJVBTVNUQOKIG-SUMWQHHRSA-N 383.423 2.896 0 40 GFAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)N(C)S(=O)(=O)N4C)oc12 390827229 VFGWLPQYCRDCIF-UHFFFAOYSA-N 387.417 2.825 0 40 GFAB CN(C)c1ccc(CC(=O)N2CCC3(CC2)CO[C@H](CN2CCCC2)C3)cc1 585105420 WIVBUKDCQVDEHR-NRFANRHFSA-N 385.552 2.789 0 40 GFAB CC(C)(C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)n1cc(N)cn1 662671824 YAQNQEYZNGTNNA-UHFFFAOYSA-N 395.429 2.564 0 40 GFAB CCOc1ccc(-[n+]2c(SCC(=O)O)n[nH]c2-c2ccc(OC)cc2)cc1 5645018 QBBVWMQISYUMNU-UHFFFAOYSA-O 386.453 2.937 0 40 GFAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12472185 QEQGJXVIQQFCLI-WGWDZAGXSA-N 388.533 2.767 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)ccc1C 13069472 MWJZPPCIGOCVKM-HZPDHXFCSA-N 395.569 2.942 0 40 GFAB O=C1COc2cc(C(=O)NCCc3ccc(Br)s3)ccc2N1 14419270 WTNURRNRLKPKJD-UHFFFAOYSA-N 381.251 2.814 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCCC2)cc1 18839717 ZAZKPJOAVFMPID-UHFFFAOYSA-N 387.505 2.854 0 40 GFAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc[nH]2)cc(N(C)C)n1 19240887 ZPLXXCNONIGGKX-KRWDZBQOSA-N 389.463 2.769 0 40 GFAB c1csc(Cn2nnnc2CN2CCN(c3nc4ccccc4s3)CC2)c1 19376656 MCRAHMXSTLFMGF-UHFFFAOYSA-N 397.533 2.715 0 40 GFAB CN(C)c1ncc(-c2cncnc2)c([C@H]2CN(CCc3ccccc3)CCO2)n1 19694895 JNHIIDLVWPBZGS-HXUWFJFHSA-N 390.491 2.616 0 40 GFAB COc1ccc(NC(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1 12224198 HEQZYWBNVJGARF-UHFFFAOYSA-N 385.468 2.935 0 40 GFAB O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)NCC12CC3CC(CC(C3)C1)C2 12363183 UPJHXMNBDZQCOR-XCLLZBPDSA-N 387.524 2.962 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390829783 GOYZUJJRUFYKNH-MRXNPFEDSA-N 382.507 2.674 0 40 GFAB Cc1ncnc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1F 1888865780 XZNARJIRLVGMIH-UHFFFAOYSA-N 393.260 2.578 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1ccc(F)c(Cl)c1 1889089471 FUMBAGNULYRJDR-QGZVFWFLSA-N 395.843 2.677 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCOCC4)nc3)CC2=O)c1C 24903888 AFYMPOKQOLLJBQ-QGZVFWFLSA-N 394.475 2.527 0 40 GFAB O=c1/c(=C\c2cccc(F)c2)sc2nc3cc(Br)cnc3n12 708696 HXYDPDZUDPDQSU-LFYBBSHMSA-N 376.210 2.754 0 40 GFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)NCc1ccccc1 4166354 QHSQHYCHNYGHCR-UHFFFAOYSA-N 390.472 2.678 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 5075773 QMFXLZJJJLEZNC-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB CN(C(=O)CSc1nnc(CNC(=O)c2ccccc2)o1)c1ccccc1 5107207 VMXZWXQMIUIUJB-UHFFFAOYSA-N 382.445 2.755 0 40 GFAB CCOc1ccccc1NC(=O)Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 5398310 UMWAGTDAMCEOGH-UHFFFAOYSA-N 393.399 2.676 0 40 GFAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCc4ccccc4C3)cn2)cc1 13809140 FLRFWYSYAHGMFE-UHFFFAOYSA-N 389.455 2.894 0 40 GFAB CCn1cccc(-c2nnc(SCC(=O)c3ccc(OC)cc3)n2C)c1=O 23136373 YRWFWPARJARPMV-UHFFFAOYSA-N 384.461 2.647 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccs3)CC2)cc1 38730847 WSCGPRIAEBBAOU-ROUUACIJSA-N 397.500 2.795 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1 206909335 KHENEYZEEQJVHN-VYDXJSESSA-N 391.493 2.528 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)N(CC)CC)C2)nc1C 40129531 JSTDJENPTNFJCB-ZDUSSCGKSA-N 396.513 2.741 0 40 GFAB CCN1CCN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)CC1 40130747 KXSPWNMRHPKNQQ-UHFFFAOYSA-N 393.553 2.515 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1C 905164 NRCUKAZXHSGYTA-UHFFFAOYSA-N 397.460 2.785 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnnn1-c1ccc(OC)c(OC)c1 932313 MDXPRDGKUOBCAL-UHFFFAOYSA-N 399.476 2.973 0 40 GFAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1 8373814 QSDUEVAZAQQYTH-IBGZPJMESA-N 378.428 2.996 0 40 GFAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Oc1ccc(Cl)cc1 4194806 WLUSHOBOGRNGTN-JAAXMTQOSA-N 384.812 2.642 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4553914 QGBTWPVIZQOBMU-GGNLRSJOSA-N 383.444 2.994 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1COc2ccccc2O1 32788319 IBYWDDJLJAORIX-FQEVSTJZSA-N 380.444 2.769 0 40 GFAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 7608709 XYAPMZCKPJWWND-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nc[nH]n2)CC1 101373768 JQHSGMZBUKVSBR-FGTMMUONSA-N 383.496 2.933 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 102274432 YQPXLRZBYBIMPI-DNVCBOLYSA-N 379.460 2.655 0 40 GFAB COc1ccc(CCNC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 32909487 POIOWUSOLRWTSK-UHFFFAOYSA-N 385.464 2.905 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1ccc(Cl)cc1Cl 102698194 QOAJZWQDDWDHND-KBPBESRZSA-N 381.259 2.603 0 40 GFAB Cc1cc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc(C)c1Cl 102077225 LTDXGLOQYGSKQK-CNGUFQHNSA-N 385.847 2.915 0 40 GFAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1)c1ccc(C)cc1 20111787 XRGNMNPXAJIHIU-KRWDZBQOSA-N 376.478 2.793 0 40 GFAB COc1ccc([C@@H](CNC(=O)NC2CCCCC2)N2CCOCC2)cc1OC 46704026 VNNRIAYNLWIDAX-GOSISDBHSA-N 391.512 2.709 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2cnc3sccc3c2=O)sc(C)c1C 23064740 BSGRMTQANWJUNV-UHFFFAOYSA-N 391.474 2.952 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)NCc2ccccc2OC2CCCC2)c1 58024757 QUBCBFBYKOTRSY-UHFFFAOYSA-N 389.477 2.977 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 23653387 YCVSIJXDRQNEQQ-SFHVURJKSA-N 396.413 2.505 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)ccc21 24982338 HZUICNJYWKQSOC-LJQANCHMSA-N 377.444 2.899 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 28609461 YQQXMSAUNAOAPO-GOSISDBHSA-N 380.444 2.834 0 40 GFAB Cc1nn2c(nnc3c(O)nc(N4CCCCC4)nc32)c1-c1ccc(F)cc1 22607272 XDYAOSDNNPOVEC-UHFFFAOYSA-N 379.399 2.878 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 12539371 YVQMXZUAISXEEU-CABCVRRESA-N 375.387 2.912 0 40 GFAB COc1ccc(CNC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1 57506300 VJZKXQRHWGQCCJ-UHFFFAOYSA-N 396.422 2.759 0 40 GFAB COc1ccccc1[C@H](CNC(=O)Nc1cn[nH]c1)NC(=O)OC(C)(C)C 58149113 LEAANUBXOWRJGE-AWEZNQCLSA-N 375.429 2.806 0 40 GFAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 12525933 YUIBTMGXLJXNJY-UHFFFAOYSA-N 388.470 2.802 0 40 GFAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1csc(-c2nc[nH]n2)n1 58251023 QTRKROZMHHHKFU-UHFFFAOYSA-N 382.493 2.844 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 8442332 DUULYYNFNLTXDV-SFHVURJKSA-N 386.411 2.784 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1 3349333 SABAJRHGLVCBFY-UHFFFAOYSA-N 397.460 2.913 0 40 GFAB O=C(NCCc1ccccc1F)C1CCN(Cn2c(=O)oc3ccccc32)CC1 48279319 OKSJBCOFYTXTJL-UHFFFAOYSA-N 397.450 2.762 0 40 GFAB Cc1nc2ccccc2nc1CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 48235026 LVUVUXZFSPUJJS-LBPRGKRZSA-N 390.490 2.591 0 40 GFAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 48363204 UIRATWKTRFMIQU-CHWSQXEVSA-N 390.958 2.608 0 40 GFAB COc1cc(CC(=O)NC[C@@H](C)Cn2nc(C)cc2C)cc(OC)c1OC 48333408 NHFZIHFNCKOJFI-CYBMUJFWSA-N 375.469 2.521 0 40 GFAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306124014 BDBPGRQWSJNXBW-GJZGRUSLSA-N 385.899 2.518 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(C(=O)C(C)C)CC1 12875247 IQSSQNAUWILGBO-CQSZACIVSA-N 381.904 2.784 0 40 GFAB Cc1c(CCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(=O)oc2cc(O)ccc12 4073280 DOXLFTXIBWNBEV-NYHFZMIOSA-N 385.460 2.893 0 40 GFAB biogenic Cc1cc(CN2CCN(C(=O)c3c4c(nc5ccccc35)CCC4)CC2)no1 39981907 CVSYGNWEJRAVLU-UHFFFAOYSA-N 376.460 2.978 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CCCCCCC2)cc1 28209667 PLGRYZADIMTTKF-GOSISDBHSA-N 392.521 2.904 0 40 GFAB NC(=O)COc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 8772653 KBWKLXJKMHQXII-UHFFFAOYSA-N 396.365 2.560 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)N2CCCCCC2)c1 14244130 ORBIVIGYLLCBHB-CYBMUJFWSA-N 389.452 2.551 0 40 GFAB CN1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2Cl)CC1 6560867 IQMDTGSDLLNVAM-UHFFFAOYSA-N 381.723 2.817 0 40 GFAB COc1ccc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 4712034 HXSJAABWFBKUBW-UHFFFAOYSA-N 385.439 2.902 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1nc(-c2ccccc2)cs1 4785972 VMXGJKHRDCROEL-UHFFFAOYSA-N 381.413 2.794 0 40 GFAB Cc1ccc(C2=NN(C(=O)CN3CCCC[C@@H]3C(N)=O)[C@@H](c3ccco3)C2)cc1 8727979 YQECAZIRRDZSKJ-RTBURBONSA-N 394.475 2.606 0 40 GFAB COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)cc1 4884582 LPRVRELEBBRKJN-LJQANCHMSA-N 387.461 2.764 0 40 GFAB O=C(COc1ccc(F)cc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 6810961 BZSUNHFQIWGHBF-KRWDZBQOSA-N 395.427 2.560 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)c3cccc(Br)c3)cc2N1 4966390 PKOZQOHUTGPQIL-UHFFFAOYSA-N 390.189 2.820 0 40 GFAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)Nc5ccccc5)nc4c23)C1 64945807 QONYKRYEEMJEJC-LBPRGKRZSA-N 393.472 2.869 0 40 GFAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 16173788 UEUJZFOFCPPOBY-UHFFFAOYSA-N 384.407 2.626 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C(N)=O)c(C)c3c2=O)c(C)c1 7994970 LJLJIXDCPOFRCN-GFCCVEGCSA-N 384.461 2.682 0 40 GFAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc2C1 9591218 YFJOALLSOWQECN-UHFFFAOYSA-N 390.487 2.551 0 40 GFAB O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9875076 QXWGMIXVNHIHQG-HXUWFJFHSA-N 399.516 2.854 0 40 GFAB Cc1cccc(Cn2cccc(C(=O)N3CCC4(CC3)OC[C@@H](C)O4)c2=O)c1 84210734 IPLAACUQPFYSII-QGZVFWFLSA-N 382.460 2.573 0 40 GFAB CC(C)Cn1ncc(C(=O)Nc2ccc(CN3CCOCC3)cn2)c1C(F)F 95976320 OMCBHCCMULCVTC-UHFFFAOYSA-N 393.438 2.956 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1 95988854 QSOPVTUYEPEZEE-KBPBESRZSA-N 396.509 2.908 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3cccc(F)c3)c2)c1 28220505 PNEWHZSGKMDVTJ-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB CN1CCN(Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 306136071 PIINKIFYYWIQIF-OAQYLSRUSA-N 385.475 2.675 0 40 GFAB COc1cc([C@H](CC(=O)NCc2ccco2)c2oc(C)cc(=O)c2O)ccc1O 524732120 YHGQJMTYWXXGOT-HNNXBMFYSA-N 399.399 2.799 0 40 GFAB biogenic O=C(O)c1ccc2c(c1)c([C@@H](C(=O)O)N1CCOCC1)cn2Cc1ccccc1 36354324 YYWVAUQSGMNWEE-FQEVSTJZSA-N 394.427 2.846 0 40 GFAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(O)cc2)n2nnnc2N1 35326983 PSNTXPWJKVANGZ-INIZCTEOSA-N 382.811 2.960 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 38697084 QJCBWJNLDMZNKN-UHFFFAOYSA-N 387.461 2.881 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)nn2C)CC1 79485167 RKMQDRAVWFZFNT-UHFFFAOYSA-N 376.844 2.655 0 40 GFAB COc1ccc(CCC(=O)N2CCN(C(C)=O)C[C@H](Cc3ccccn3)C2)cc1 72353548 BIYPWMWCTXPYES-FQEVSTJZSA-N 395.503 2.572 0 40 GFAB C[C@@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)n1ccnc1 563263189 WRAFKIHNKCBKMJ-WMLDXEAASA-N 384.436 2.552 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 198007565 WKKHNZDYBBGILL-UHFFFAOYSA-N 396.443 2.593 0 40 GFAB CN([C@@H](C(=O)NCCCc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O 223293086 WJDAFRISYYHCKA-GOSISDBHSA-N 378.469 2.507 0 40 GFAB COc1cccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 224397131 ZFWQTCYXUYBFKA-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB Cc1cc(Cl)ccc1N(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 224833029 CSFPPWPLTVLXRA-UHFFFAOYSA-N 397.836 2.700 0 40 GFAB COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 47461965 GAFLJUOKOSYWSB-UHFFFAOYSA-N 378.469 2.962 0 40 GFAB COC(=O)c1ccc(C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1 77171654 AXZADKYIDBHWNR-FQEVSTJZSA-N 379.460 2.998 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccc3[nH]ccc3c1)C2 96237761 KRJYNGLMFHRNOM-HSZRJFAPSA-N 388.471 2.731 0 40 GFAB CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(C(=O)NC1CCCC1)CC2 96260589 QJJOAWJUJDFDBQ-UHFFFAOYSA-N 399.539 2.658 0 40 GFAB COC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242538776 JHEDPLCZGSRVMN-VAMGGRTRSA-N 375.490 2.535 0 40 GFAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)Nc2ccnc(-c3ccccc3)c2)C1 585088681 VVLDACQZFJSQBF-NRFANRHFSA-N 382.464 2.586 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 250704246 VJMHLJULSQVBJT-ABAIWWIYSA-N 399.274 2.900 0 40 GFAB Cc1ccc(CCNC(=O)[C@@]2(C)CCCN(C(=O)CCn3ccnc3)C2)s1 257250850 JOHTXWOXMSFDSW-FQEVSTJZSA-N 388.537 2.631 0 40 GFAB COc1cccc(-n2cc(NC(=O)[C@H](C)n3ccc(C(F)(F)F)n3)nn2)c1 637313448 GLKLGPXAVMEUKK-JTQLQIEISA-N 380.330 2.691 0 40 GFAB C[C@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)[C@@H]1Oc2ccccc2[C@H]1C 660821281 YSGXWZRAYLAKQK-LAPQFRIASA-N 379.460 2.806 0 40 GFAB CC(=O)Nc1ncc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)s1 563059095 SRDIEJYWYUKRDS-UHFFFAOYSA-N 377.900 2.563 0 40 GFAB CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 585269599 ALXIQMVVPBITKH-FQEVSTJZSA-N 377.435 2.642 0 40 GFAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218942 AJFZVWUSUKTJKI-IBGZPJMESA-N 392.333 2.762 0 40 GFAB COc1ccc(Cl)c2c1[nH]c1nc(SCC(=O)N3CCCC3)nnc12 5702480 YOQBUZNHJXXESZ-UHFFFAOYSA-N 377.857 2.883 0 40 GFAB Cc1ccccc1OCC(=O)NCc1ccc(-c2nn3cnnc3s2)cc1 12857059 GTGQTBQVFODPEB-UHFFFAOYSA-N 379.445 2.856 0 40 GFAB CCn1c(=O)n(CCC(=O)NCc2ccc(OC)c(OC)c2)c2ccccc21 14683866 GJSDCONXKNECRA-UHFFFAOYSA-N 383.448 2.547 0 40 GFAB CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 15739867 QOAQHAILSSRXNY-UHFFFAOYSA-N 388.917 2.671 0 40 GFAB Nc1c(C(=O)[C@H]2CCCN(C(=O)c3cccnc3)C2)cnn1-c1ccc(F)cc1 19337439 IPZJYXKIMDOAPC-HNNXBMFYSA-N 393.422 2.724 0 40 GFAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12 19365189 KHSSVTFHEAVQGB-MRXNPFEDSA-N 376.932 2.814 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc2c(c1)CCCO2 19496116 RPLAPHMVLQKZEL-GTQRCTGISA-N 399.491 2.690 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)CCN3CCC[C@@H](C)C3)cc2)ccc1C(N)=O 19700575 URSJLCVBGPETGS-MRXNPFEDSA-N 394.519 2.894 0 40 GFAB CN(C)Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nn1C 19709070 UHODFRSEAHACEV-MRXNPFEDSA-N 382.917 2.661 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)n[nH]1 19718972 ZJFXCQNVLAZSQJ-UHFFFAOYSA-N 398.898 2.730 0 40 GFAB Cc1nccn1C[C@@H](C)C(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1 12126512 ROQZDQMFSQLWPF-CQSZACIVSA-N 380.452 2.679 0 40 GFAB COCCCNC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226539 ZLDLNEGAOGJUIM-KRWDZBQOSA-N 378.444 2.658 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCCC3=CCCCC3)c2C)n1 16849653 JTOUMCQYZQOAKK-UHFFFAOYSA-N 383.496 2.820 0 40 GFAB C[C@@H]1CCCCN1CCC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 19746432 VMWHJKSKYPXWDP-OAHLLOKOSA-N 387.459 2.864 0 40 GFAB COc1ccccc1CC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888881987 ISDIDRLQHLLKOS-HDICACEKSA-N 394.519 2.920 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC2(c3ccsc3)CC2)cc1N1CCCC1=O 1888928944 DSRKNWMCEYNLKT-UHFFFAOYSA-N 397.500 2.970 0 40 GFAB COc1cccc(OC)c1CN1CCO[C@]2(CCCCN(C(C)C)C2=O)C1 2037984180 SIBUXRZNJVNHKV-OAQYLSRUSA-N 376.497 2.696 0 40 GFAB O=C(C1CC(F)(F)C1)N1CC[C@@]2(CCCc3sc(N4CCOCC4)nc32)C1 1565556767 UNPHLMSAOHKOQN-SFHVURJKSA-N 397.491 2.831 0 40 GFAB O=C(c1ccc(Oc2nccs2)cc1)N1CCN(c2nccs2)C(=O)C1 1565523214 HYSDIJPCDIRQDF-UHFFFAOYSA-N 386.458 2.881 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1F 4270253 CYNYVZNSYDXBKC-UHFFFAOYSA-N 399.407 2.740 0 40 GFAB Cc1ccc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1C 4569561 DFURCYVLSLTFKM-INIZCTEOSA-N 378.519 2.948 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 8961564 QOPPXDWEOPGZPN-UHFFFAOYSA-N 390.461 2.659 0 40 GFAB Cc1ccc(C(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1C 1775967910 GDMZYLCQMFINTC-UHFFFAOYSA-N 391.475 2.598 0 40 GFAB Cc1c(C(=O)N2CC(c3nc(-c4ccncc4)no3)C2)cnn1-c1ccccc1 49032020 UFQCHLGAMSIKHO-UHFFFAOYSA-N 386.415 2.865 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20047471 BOFFZJVZOODVOI-INIZCTEOSA-N 380.853 2.814 0 40 GFAB C[C@H]1C(=O)N(CC(=O)NCCc2cccs2)C(=O)N1c1ccc(Cl)cc1 20056621 SNFWOVQVRSODMS-LBPRGKRZSA-N 391.880 2.918 0 40 GFAB O=S(=O)(Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCOCC1 30335982 IZQUZCMSCYJFLF-LJQANCHMSA-N 394.924 2.833 0 40 GFAB COc1ccc(C)cc1NC(=O)CNc1ccccc1C(=O)N1CCC[C@H](O)C1 40135374 UTSFDOQWSZTAJY-INIZCTEOSA-N 397.475 2.651 0 40 GFAB CC(=O)N[C@H](C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 30800409 VGGWZDFBGLEQOP-MRXNPFEDSA-N 393.487 2.617 0 40 GFAB CC(=O)N1CCN(C(=O)c2c(-n3cccc3)sc3c2CCSC3)CC1 36697265 JBKSXZNSJRZNPB-UHFFFAOYSA-N 375.519 2.632 0 40 GFAB O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCN(Cc2ccccc2)CC1 28833320 SRTQVTPKBPHMAC-UHFFFAOYSA-N 381.867 2.879 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 807720 MBVYOZUUIKEDCF-CVEARBPZSA-N 386.517 2.954 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1S(N)(=O)=O 20629531 GFIRWTNFUNYKPD-UHFFFAOYSA-N 376.459 2.596 0 40 GFAB CC(C)[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NC(N)=O 21323798 SDYKSWXKBOPVIR-JTQLQIEISA-N 399.270 2.811 0 40 GFAB O=C(NCCn1ccnc1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 46150141 QSVFJEQQAFONPB-OAHLLOKOSA-N 381.263 2.611 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)nn1-c1ccccc1 32729530 LMUINSUOFOMJHJ-IBGZPJMESA-N 394.450 2.713 0 40 GFAB CSc1ncccc1C(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 32721783 HOIUPVNHKQMBAT-GFCCVEGCSA-N 382.532 2.695 0 40 GFAB Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8053301 LPLCBWSRJQJQHK-QGZVFWFLSA-N 390.480 2.851 0 40 GFAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1cccc(C(N)=O)c1 53848840 HKIMRKZFANVDSE-JTQLQIEISA-N 395.242 2.954 0 40 GFAB Nc1nc(CN2CCN(Cc3ccsc3)CC2)nc(Nc2ccc(F)cc2)n1 22915411 IVDHSEOIYUIOQE-UHFFFAOYSA-N 399.499 2.716 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nncn2C)sc2c1CC[C@@H](C)C2 1065073 CXQWUWGTACWVBZ-SNVBAGLBSA-N 394.522 2.909 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1 54814816 FTSJDUAVCSSAQN-LJQANCHMSA-N 392.459 2.606 0 40 GFAB CCCCN1C(=O)C[C@@H](C(=O)/N=c2\sccn2C)[C@@H]1c1ccc(OC)cc1 105662152 PUNBTRWTKOQMSJ-XANXLALBSA-N 387.505 2.912 0 40 GFAB CCOc1ccc(-n2ncc(C(=O)Nc3nc4c(s3)CCCC4)c2C)nn1 24769317 HHSDWSLAXRVJIG-UHFFFAOYSA-N 384.465 2.957 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cn1 55366759 PFDQAGQLDKEAFD-UHFFFAOYSA-N 382.825 2.552 0 40 GFAB Cc1cccc(N2C(=O)c3cc(C)nc(SCCN4CCOCC4)c3C2=O)c1 25180253 DVUWEWSFBCMNNO-UHFFFAOYSA-N 397.500 2.923 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 12526927 MTYBVQPRPBVVSX-UHFFFAOYSA-N 399.472 2.768 0 40 GFAB COC(=O)/C=C/c1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(OC)c1 25456053 QPNQMWIOTGBSHZ-TUPIDYKKSA-N 381.384 2.913 0 40 GFAB CN(C)C[C@@H]1[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 22591152 PIJASLBJPRDNRA-FUPPJEDESA-N 386.536 2.632 0 40 GFAB CC1CCC(NC(=O)[C@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 26992256 DMMJWAXVQIGIIH-CKDBGZEDSA-N 379.526 2.722 0 40 GFAB CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 57881979 GXLJTMKMNYKEGJ-UHFFFAOYSA-N 399.513 2.523 0 40 GFAB COc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC(F)F 58227434 QHYRMSNZFZEVTD-UHFFFAOYSA-N 379.298 2.664 0 40 GFAB O=C(CNc1ccc(F)c(F)c1F)NCC(=O)Nc1ccc(F)c(F)c1F 11041513 CEZZOGPLHQITRF-UHFFFAOYSA-N 391.271 2.688 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1cccc(Cl)c1 3346458 PHDLZJLSNLDYSS-IBGZPJMESA-N 385.807 2.508 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1C 3355454 GQEJOAHLRMBSGE-HNNXBMFYSA-N 398.459 2.938 0 40 GFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 13005017 DKRITOMPKXIVPF-HNNXBMFYSA-N 375.446 2.626 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc(F)cc(F)c1 13005200 XLIYESKFISRGGG-UHFFFAOYSA-N 383.372 2.539 0 40 GFAB COc1cccc(CNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 6087689 SMTGEPFMWKRQRZ-UHFFFAOYSA-N 383.473 2.662 0 40 GFAB Cc1cccc(C[C@@H](CC(=O)Nc2nncs2)C(=O)Nc2nncs2)c1 5000411 QVEIPQCAFPCLJM-LBPRGKRZSA-N 388.478 2.524 0 40 GFAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1ccncc1 4292261 XYPIAFRBYHTMAK-AWEZNQCLSA-N 386.477 2.917 0 40 GFAB COC(=O)c1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 5161886 ZKHHCRDNTDJJHL-XTPUDKEYSA-N 389.436 2.656 0 40 GFAB CCOC(=O)c1csc(NC(=O)CSc2ccc3c(c2)OCCO3)n1 49961086 ULVXQYIWMHGUGR-UHFFFAOYSA-N 380.447 2.822 0 40 GFAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Nc1cccc(Cn2cccn2)c1 65591811 HFHLDUXKZDHANE-OAHLLOKOSA-N 395.385 2.606 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3ccc(Cl)s3)C2=O)cc1 14117395 UYCXKECAQIEGMG-MRXNPFEDSA-N 379.825 2.522 0 40 GFAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3C)CCOCC2)cc1 5423139 UNDJZTSXXWWGNV-UHFFFAOYSA-N 382.460 2.807 0 40 GFAB CCOc1ccccc1N(CC(=O)N(C)C)S(=O)(=O)c1ccc(C)cc1 22276545 OXRWQKVFTGKKGG-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB CCOC(=O)C1=C(COC(=O)CC2CCCC2)NC(=O)N[C@H]1c1ccccc1 5528814 ANGFBSRBAVQDIY-IBGZPJMESA-N 386.448 2.981 0 40 GFAB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5624591 NOXFWGOISWYROR-XMHGGMMESA-N 388.427 2.857 0 40 GFAB Cc1cccc(-n2cc(C(=O)Nc3cccc(CS(C)(=O)=O)c3C)nn2)c1 116678292 FHLYVGRKJLFDPA-UHFFFAOYSA-N 384.461 2.681 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1C 6847131 APRJRKWEBUTPHC-UHFFFAOYSA-N 376.511 2.549 0 40 GFAB C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1ccccc1C(N)=O 4999464 QQDHCFXGAFHSFT-GFCCVEGCSA-N 394.456 2.655 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 7401057 XTOSOLCOMDGXKE-YJBOKZPZSA-N 393.505 2.737 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 7401056 XTOSOLCOMDGXKE-QAPCUYQASA-N 393.505 2.737 0 40 GFAB CCOc1ccccc1C(=O)OCC(=O)N1CCN(c2ccccc2OC)CC1 8065057 JUNRSDJPNLBFHU-UHFFFAOYSA-N 398.459 2.600 0 40 GFAB C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nncn1C 96009401 HORYXKCIPPMZKH-DZGCQCFKSA-N 386.504 2.631 0 40 GFAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(OC)cc3OC)N2C1=O 16734996 UJWWRNFCTBSFNU-ZBFHGGJFSA-N 390.461 2.916 0 40 GFAB CC(C)n1c(CCNC(=O)CN2C(=O)COc3ccccc32)nc2ccccc21 72290289 LWLHCWNQCLUGDG-UHFFFAOYSA-N 392.459 2.702 0 40 GFAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc3c(c1)OCCO3)cn2C 22237259 ZUUMUFPHUCYYTJ-UHFFFAOYSA-N 380.400 2.961 0 40 GFAB Cc1nc(CCCNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)n[nH]1 72307467 HSVJDEYSGJKIDN-UHFFFAOYSA-N 380.417 2.636 0 40 GFAB O=C(C[C@H]1SC2=NCN(c3ccc(F)cc3)CN2C1=O)Nc1ccccc1 72333009 NKFAUSCGQWIOIM-MRXNPFEDSA-N 384.436 2.890 0 40 GFAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 79049622 ZEBUMEBPGKBSLE-JCIOZEIESA-N 385.913 2.850 0 40 GFAB CCOc1cccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 22396185 SJRMYIVBSCIPMZ-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB Cn1cc(C[C@H]2CCN(C(=O)c3c(C(F)(F)F)nc4ccccn34)C2)cn1 521834632 HCWAATYULJFVLP-GFCCVEGCSA-N 377.370 2.791 0 40 GFAB CN1[C@H]2CC[C@H]1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)CC2 524770893 VHEZAOLJSZLLSJ-FKBYEOEOSA-N 391.515 2.723 0 40 GFAB Cn1cc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(C(F)F)n1 533645832 LRSNCXDOTSBQRQ-UHFFFAOYSA-N 396.825 2.538 0 40 GFAB Cc1ccc(NC(=O)[C@H]2[C@H](C)Nc3ncnn3[C@@H]2c2cn(C)nc2C)c(C)c1 36621400 YPLKRHLKVXCGEZ-JCGIZDLHSA-N 379.468 2.595 0 40 GFAB CCCCN1C(=O)COc2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc21 32593577 VECCYCITUORRPW-IBGZPJMESA-N 382.416 2.991 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1ccc2ccccc2c1 33015082 QATNOJQUTDVXBD-GOSISDBHSA-N 389.455 2.948 0 40 GFAB COc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 32603944 CNMNVZNLIVAHIQ-HOTGVXAUSA-N 398.511 2.943 0 40 GFAB CC[C@H](CO)n1cc2c(c1-c1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C 33542350 ZFCNZEOTUUHKOK-LLVKDONJSA-N 396.274 2.956 0 40 GFAB COc1cccc(NC(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)c1 62017490 XTAYLWGEXWKLBM-UHFFFAOYSA-N 388.405 2.793 0 40 GFAB CS(=O)(=O)c1ccccc1-n1cc(NC2CCN(c3ccncc3)CC2)cn1 565459817 FOWANLQIBCOVLP-UHFFFAOYSA-N 397.504 2.752 0 40 GFAB Cn1c(=O)c(CNC(=O)N2CCC3(C2)Oc2ccccc2O3)cc2ccccc21 565693140 RRNAFTVKDHJMFW-UHFFFAOYSA-N 391.427 2.622 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223627459 GUKRGQBYTLJZSO-VQTJNVASSA-N 394.500 2.933 0 40 GFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1Cl 224967892 HAXQRXTVDQIUNN-UHFFFAOYSA-N 390.874 2.595 0 40 GFAB Cc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 47362908 AZRXRPHGPAGDQK-INIZCTEOSA-N 390.505 2.955 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 139512509 UEESVDUUXCUZOI-UHFFFAOYSA-N 382.869 2.992 0 40 GFAB CCOc1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 220092734 ZOMXBPNIWICUNU-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)cc1 223980268 FVIGEDUZTAVWSW-CYBMUJFWSA-N 398.510 2.571 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)ccc1OC 223877892 QGEMTAOAXKPWIM-UHFFFAOYSA-N 394.518 2.597 0 40 GFAB O=C(O)c1cnc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cn1 530165696 JWRIPZAZCKKHCV-HNNXBMFYSA-N 383.326 2.647 0 40 GFAB COc1ccc(CC(=O)N[C@H](C)c2onc(-c3cccnc3)c2C(=O)O)cc1 96296989 UDGJVTYHTQQSTQ-GFCCVEGCSA-N 381.388 2.863 0 40 GFAB biogenic,in-vitro COc1ccc(C(=O)N2C[C@H](OCc3nc4ccccc4n3C)[C@H](F)C2)cc1 96111980 XBDNJAOAUXOSHD-APWZRJJASA-N 383.423 2.961 0 40 GFAB biogenic,in-vitro CC(=O)Nc1ccc(CN2C[C@H](OCc3nc4ncccc4[nH]3)[C@H](F)C2)cc1 96112150 QIELWXWKCXEVGB-AEFFLSMTSA-N 383.427 2.655 0 40 GFAB biogenic,in-vitro Cc1nc(COCC[C@@H]2CCOC23CN(C(=O)c2cccn2C)C3)cs1 248138074 PJZNXOLQFGAZQN-OAHLLOKOSA-N 375.494 2.628 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(OC)c2)cn1 248146178 WRTFQXUTIKXDAQ-YZVOILCLSA-N 391.493 2.532 0 40 GFAB CCOC1CC2(CCN(C(=O)[C@H]3CCCN(CC(=O)Nc4ccccc4)C3)C2)C1 585082626 UAWWPEQYYCKKOJ-QRGRWYIGSA-N 399.535 2.755 0 40 GFAB CCCN1CCN(c2ccccc2CN(CCCO)Cc2ccccn2)CC1 585084637 XMEWAOVTNAZANU-UHFFFAOYSA-N 382.552 2.998 0 40 GFAB CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccc3cnc(C)n3c2)C1 585080885 IPLKLDQYMWESHL-UHFFFAOYSA-N 398.488 2.603 0 40 GFAB CCCc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257338760 YYWBZFDIHVZMIA-WOIUINJBSA-N 395.507 2.717 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516241 QQVRVMRWEQUOJG-ZVDOUQERSA-N 387.501 2.758 0 40 GFAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 257228103 FSHLGXJIYQUCCT-IBGZPJMESA-N 375.432 2.643 0 40 GFAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)COC)CC1 257330447 XOLZOMHAKANLEE-UHFFFAOYSA-N 395.503 2.682 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)Cc3cccnc3)C2)ncn1 257307695 SZVWXXCOEMCDDJ-QGZVFWFLSA-N 377.448 2.777 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C)cc(-c4nccn4C)n3)C2)cn1 257272275 NBSXRNQCNZAJSH-QGZVFWFLSA-N 376.464 2.909 0 40 GFAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1OCC(=O)N(C)C 260622174 RRWVUABVJPUWAH-OAHLLOKOSA-N 388.489 2.602 0 40 GFAB O=C(O)[C@H]1CCN(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)C1 263506795 VYJZPBJAHDNKKI-HNNXBMFYSA-N 388.445 2.599 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C 664360487 SWCCSRSWALAYRT-FOWKKZKMSA-N 384.480 2.811 0 40 GFAB O=S(=O)(CCC(F)(F)F)NCC(O)(c1cccs1)c1cccs1 390829217 XLLRKIOJZAFMJE-UHFFFAOYSA-N 385.454 2.917 0 40 GFAB O=C(CSc1ccncc1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575606711 LLIAJWPIKGDHBW-KRWDZBQOSA-N 376.503 2.562 0 40 GFAB C[C@H]1c2nc(C(=O)NCc3cccs3)cn2CCN1C(=O)c1cccc(O)c1 585096619 WGZGKVVCRYIJJQ-ZDUSSCGKSA-N 396.472 2.797 0 40 GFAB COc1ccccc1N1CC[C@H](CNS(=O)(=O)c2ccccc2OC)C1 58193027 VDRLLNQBBXQUPT-OAHLLOKOSA-N 376.478 2.509 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)C1 12129228 WAQDVENUOOBVEG-NVXWUHKLSA-N 385.464 2.872 0 40 GFAB COc1ccc(CN(Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)cc1OC 12187314 FQCOLFWLARKJGW-GOSISDBHSA-N 386.496 2.741 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1OC 14291966 JMSWGHIBHLSZLH-UHFFFAOYSA-N 388.489 2.582 0 40 GFAB COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 16267547 WGPOJOCCTSJCGE-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(C)cc2)N2CCCN32)cc1 19169585 PMGMAXXAGFTQNO-HKBOAZHASA-N 391.471 2.929 0 40 GFAB Cc1cnc(-c2nnc([C@H]3CCN(C(=O)CCc4ccccc4F)C3)o2)cn1 19239152 REQBBNGMITWTPH-HNNXBMFYSA-N 381.411 2.923 0 40 GFAB O=C(CCc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19348597 SRRVNHCZPOEDLH-MRXNPFEDSA-N 392.434 2.920 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)c4cc(C(C)C)no4)CC3)ncc2C1 19452828 PFQCJPQPEQZVSH-UHFFFAOYSA-N 397.479 2.512 0 40 GFAB COc1cccc(CC(=O)N2C[C@H](c3cccc(OC)c3)[C@H]3NCCC[C@H]32)c1 19564458 KOBNAXJYYJKFQZ-MQSCRBSSSA-N 380.488 2.993 0 40 GFAB Cc1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(C2CC2)o1 19567800 JSCVMVMQPZDVGG-INIZCTEOSA-N 382.464 2.727 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 19287899 BLRJUPAQMLERRM-UHFFFAOYSA-N 396.535 2.845 0 40 GFAB Cc1ccc(-c2nc(C(=O)N[C@H]3CCCN(c4ccnn4C)C3)cs2)n1C 683577177 AXRJNOGCFQOBEO-AWEZNQCLSA-N 384.509 2.589 0 40 GFAB O=C(N1CC[C@H](Oc2ncc(Cl)cn2)C1)C1(c2ccccc2)CCOCC1 575608347 XVRVOHLGOPVHSK-KRWDZBQOSA-N 387.867 2.858 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(c3nnc(C4CC4)s3)CC2)cc1 23140865 IETWCRONJQRSGD-UHFFFAOYSA-N 379.507 2.992 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 1981979 PYFSIDCFXVYKBI-LBPRGKRZSA-N 389.404 2.905 0 40 GFAB O=C(c1cscn1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897663 SXAGJDVVHUEBQF-UHFFFAOYSA-N 383.477 2.994 0 40 GFAB COc1ccc(OC)c2sc(N3CCO[C@H](C(=O)N4CCCCC4)C3)nc12 1888942782 BFILCMTWTMXTAI-HNNXBMFYSA-N 391.493 2.531 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1ccc(C)cn1)C(F)(F)F 20407246 PHLZVCPYUMTUPN-INIZCTEOSA-N 385.317 2.803 0 40 GFAB CO[C@H]1CC[C@@H]([C@H]2OC[C@@H]3[C@H]([C@H]4CC[C@@H](OC)[C@@H](OC)C4)OC[C@H]32)C[C@@H]1OC 2061000834 WWYKFTBJMONEJG-DSYLSXIRSA-N 398.540 2.677 0 40 GFAB COc1nc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)ncc1Br 2086951532 FYVZTKUGHINWRX-NSHDSACASA-N 385.306 2.721 0 40 GFAB COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)cc1 4036003 OCBVGXAZTADOLO-LJQANCHMSA-N 387.461 2.764 0 40 GFAB Cc1ccccc1N1CCCn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 4249408 WURNBNJYQHVSTQ-UHFFFAOYSA-N 381.480 2.793 0 40 GFAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2S1(=O)=O 4940727 SIYGZFUAZPCFSS-JTQLQIEISA-N 398.362 2.877 0 40 GFAB Cn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N1CCN(CC(F)(F)F)CC1 1848610659 NVHFRWORHBYHML-UHFFFAOYSA-N 388.340 2.685 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)Cc1ccccc1-2 4088301 OWQKRNSMZKTLCH-UHFFFAOYSA-N 375.409 2.949 0 40 GFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc2c(c1)OCCO2 2093235 WZJJKUFFNLDKBI-KRWDZBQOSA-N 395.415 2.845 0 40 GFAB biogenic CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 3363856 LZGMTRHJVPZBFE-LPHOPBHVSA-N 387.480 2.970 0 40 GFAB aggregator O=C(NC[C@@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 5002448 IPEZBNXJRRTLON-OXJNMPFZSA-N 386.473 2.963 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 40106279 KKSIVDQZMRINQR-VXGBXAGGSA-N 383.495 2.502 0 40 GFAB CCOc1cccc2c1OCC(C(=O)OCc1cc(=O)n3cc(C)ccc3n1)=C2 40133343 GBHBUZHEOHGRMZ-UHFFFAOYSA-N 392.411 2.921 0 40 GFAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cs1 40128730 IKDWVUULNFGIHC-UHFFFAOYSA-N 397.416 2.648 0 40 GFAB Cc1ccccc1N(CC(=O)N1CCc2sccc2[C@H]1C)S(C)(=O)=O 30548339 OBBAORXTVMPXJU-CQSZACIVSA-N 378.519 2.968 0 40 GFAB COc1cccc(N2CCN(C(=O)CC[C@H]3Cc4ccccc4NC3=O)CC2)c1 31385879 BOBKORRKZCBVNI-SFHVURJKSA-N 393.487 2.935 0 40 GFAB Cc1cc(C)nc(NC(=O)c2cc(C(=O)Nc3cc(C)cc(C)n3)n(C)n2)c1 36617893 YHRLIJCZDXPFHI-UHFFFAOYSA-N 378.436 2.948 0 40 GFAB Cc1cc(N2CCCC2)ccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 11572414 FAPRTKWIBABXHD-UHFFFAOYSA-N 384.480 2.788 0 40 GFAB CC(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4142461 XJTOZJAEUQGOBW-IIMDRIAPSA-N 394.439 2.769 0 40 GFAB O=c1nc2n(Cc3ccc(Cl)cc3)cccc-2c(=O)n1Cc1ccncc1 32641554 VMNDTBFGPDSFMC-UHFFFAOYSA-N 378.819 2.655 0 40 GFAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)NCCCc2ccccc2)cc1C 4895749 ITBXMMZVQIMPEG-MHZLTWQESA-N 386.517 2.740 0 40 GFAB COc1ccc(CN(C)[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC 32751378 DHOOUXSOYFKOEV-NRFANRHFSA-N 384.476 2.736 0 40 GFAB CC(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)n1cnc2ccccc2c1=O 102395419 UXTAEYAURAEDPJ-DAYGRLMNSA-N 385.464 2.601 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccnc1N1CCCC1 21742827 HZQOIRZIACTDTN-UHFFFAOYSA-N 392.381 2.810 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCOCC2)sc2c1CC[C@@H](C)C2 21822436 XUNRZMFDJQJKMI-OLZOCXBDSA-N 380.510 2.709 0 40 GFAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccccc1 22560893 LKHPKEDLSUTQEU-UHFFFAOYSA-N 387.233 2.752 0 40 GFAB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2775739 FTIUCIGRKVNZKD-OAHLLOKOSA-N 390.490 2.720 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)cc1 22847954 HVDCISVOGMKTHT-UHFFFAOYSA-N 396.415 2.517 0 40 GFAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 104371429 QNVRQUZXNLRIRX-WBFOAEISSA-N 378.428 2.685 0 40 GFAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)c(OC)c1 956726 DNGASBMALXPXIM-KRWDZBQOSA-N 384.461 2.530 0 40 GFAB Cc1ccc(-c2nc(C)c(C(=O)NCc3cccnc3-n3cncn3)s2)o1 47122495 HIZHVOZFIROODK-UHFFFAOYSA-N 380.433 2.926 0 40 GFAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 47214683 BUIVEMBSBNORQV-SMDDNHRTSA-N 378.416 2.836 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC1(c2ccccc2)CCCCC1 105647981 DUKNZWCGFBIZIJ-ZCLUNYJNSA-N 392.499 2.812 0 40 GFAB O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(Cc2ccccn2)C1 47666160 APUBDKAATYUEIL-LBPRGKRZSA-N 379.338 2.967 0 40 GFAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc2[nH]c(=O)[nH]c2c1 24765110 DAPJDDDCSSBMDB-UHFFFAOYSA-N 391.383 2.570 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F 1317695 NVTSUDBFZGAADK-JJRVBVJISA-N 396.390 2.661 0 40 GFAB COCCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 25096234 DZKUIUROWQDNBU-UHFFFAOYSA-N 394.493 2.645 0 40 GFAB CCOc1ccccc1CCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 25381776 RKHVNCCEVNXWNZ-UHFFFAOYSA-N 390.505 2.585 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCn1c(C)nc2ccccc21 43948700 KNOJNAVSDCETTC-UHFFFAOYSA-N 385.489 2.877 0 40 GFAB COC(=O)CSc1nc2nc(C(C)C)c(-c3ccccc3OC)c(N)n2n1 20676299 PCHTWDSPIIBXIZ-UHFFFAOYSA-N 387.465 2.771 0 40 GFAB COc1cc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc(OC)c1OC 58019213 DLQZQJBFEUROIV-CYBMUJFWSA-N 399.447 2.888 0 40 GFAB COc1ccccc1N1CC[C@H](CNC(=O)COc2ccc(F)cc2F)C1 58214470 QIUMZBVNKOPKLN-CQSZACIVSA-N 376.403 2.995 0 40 GFAB COC(=O)C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(OC)c(OC)c1 10737665 SRECKXQSFDSUEK-HNNXBMFYSA-N 383.404 2.614 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)CC1 28635858 FYWHUPRWUWYSHL-UHFFFAOYSA-N 395.525 2.671 0 40 GFAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@@H](C)COC 11118370 QNPDXYVZSWNWCY-AWEZNQCLSA-N 388.489 2.576 0 40 GFAB C[C@@H]1CN(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@@H](C)O1 48237112 JZTFKLHTJOCROK-JHJVBQTASA-N 397.855 2.682 0 40 GFAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCN(c2ncccn2)CC1 48326308 NVNQBGJTWWJAFF-UHFFFAOYSA-N 381.436 2.872 0 40 GFAB CC(C)C[C@H]1NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 3487414 OUZJXWAQSIAMDI-CQSZACIVSA-N 386.279 2.619 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 3459654 FLDQDCFOXULMKC-IBGZPJMESA-N 389.358 2.694 0 40 GFAB CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 63879662 BBUMELVYILCHIY-UHFFFAOYSA-N 377.846 2.825 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1)NCCCN1CCc2ccccc2C1 65553018 MYMAFUHCBHNXJH-UHFFFAOYSA-N 385.895 2.634 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CCn1nc(-c2cccs2)oc1=O 14182204 XBAUPWODYBUZAA-UHFFFAOYSA-N 387.417 2.770 0 40 GFAB CC(C)COc1cccc(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 69932073 PDANEMXGFZMIIE-FQEVSTJZSA-N 389.540 2.975 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NCc1ccccc1 4882225 ZXPVWYDOGIJZCQ-UHFFFAOYSA-N 391.452 2.530 0 40 GFAB COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OC 14933321 CPTULRSXULZPDP-UHFFFAOYSA-N 387.823 2.866 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3)n2)cc1OC 4943746 KJAGZPOTUCGRJP-CYBMUJFWSA-N 383.404 2.838 0 40 GFAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)NC1CC1 7135085 PLVRBNMJBCCJHS-UHFFFAOYSA-N 394.880 2.719 0 40 GFAB Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 68193194 UMVDCQSLVLUHPX-UHFFFAOYSA-N 383.267 2.675 0 40 GFAB O=C(COc1cccc(NC(=O)CN2CCCC2=O)c1)NCCC1=CCCCC1 72235945 PKIANKFXQFGGCU-UHFFFAOYSA-N 399.491 2.633 0 40 GFAB O=C(C[C@]1(C(=O)O)CC(c2ccc(F)cc2)=NO1)Nc1ccc(C(=O)O)cc1 72405658 CCURWMLEYRPBAA-IBGZPJMESA-N 386.335 2.501 0 40 GFAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1F 97590636 CKBPZTXRAFIRJZ-LBPRGKRZSA-N 385.277 2.819 0 40 GFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCc2c(ncn2C2CC2)C1 95349699 WAONCEFMJHVJPX-OAQYLSRUSA-N 378.476 2.639 0 40 GFAB CCc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1 67300151 QYOVIAURBVPSAD-UHFFFAOYSA-N 391.471 2.955 0 40 GFAB Cc1ccc(-c2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)c(C)c1 1501040580 ZZWRLLHRJYCWER-ZDUSSCGKSA-N 391.522 2.609 0 40 GFAB COC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218220597 ZKJMIFCSCOFZLW-IKGGRYGDSA-N 396.306 2.733 0 40 GFAB CCN1CCN(Cc2ccc(NC(=O)c3ncc4c(F)cccn34)cc2)CC1 527941394 JSPDZRRPIKSZHI-UHFFFAOYSA-N 381.455 2.863 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)c1cccc2ccccc12 70636070 SVKYULAUFXGUAR-HXUWFJFHSA-N 383.469 2.853 0 40 GFAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)N[C@@H]1CC(=O)N(C2CC2)C1 1565524144 BNGHKPMWQBFWCR-QGZVFWFLSA-N 395.503 2.615 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968179 NZDQFCBLYDHSKX-GOSISDBHSA-N 381.881 2.925 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218458391 QQVRVMRWEQUOJG-IRFCIJBXSA-N 387.501 2.758 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 220808756 CRMWJCHNOFVTFR-HNNXBMFYSA-N 395.463 2.882 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 223328809 FKTMPTUYQPETIX-UHFFFAOYSA-N 381.797 2.534 0 40 GFAB CCc1ccc(N([C@@H](C)C(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 220268053 RLTJPMHVYFUKEA-HNNXBMFYSA-N 390.505 2.729 0 40 GFAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(OC)c(C)c1 222860256 MUGBZAYPCXYUAP-KRWDZBQOSA-N 382.526 2.633 0 40 GFAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccccc1F)S(C)(=O)=O 220590177 BQGLAMWIRSJZRN-CQSZACIVSA-N 394.424 2.738 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223002168 VPEFHGBPGMRCOS-IPELMVKDSA-N 386.521 2.681 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222755882 OFGGJSIPKHTTAB-UHFFFAOYSA-N 398.484 2.785 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 224988470 PPIQJNXHJMPTMH-CQSZACIVSA-N 376.478 2.890 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77100897 ZNVVWJRGSDDVLO-UHFFFAOYSA-N 392.463 2.589 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 96998779 LEKIDNKIEBEIID-UHFFFAOYSA-N 382.460 2.667 0 40 GFAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccnc4)OCC[C@@]31C2 257295171 QXGGFXJVRFAZKE-LJKBXEIESA-N 385.508 2.548 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 260932844 NEPXRHIFGOFNON-BEFAXECRSA-N 378.538 2.804 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 260408870 RJSPTLNEMJIXGR-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C3CC3)N2)c1 653057977 ZFWSBSUGYBWYHE-UXHICEINSA-N 399.516 2.981 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575406654 ZNKLDOINXPEDFO-HXUWFJFHSA-N 380.444 2.702 0 40 GFAB CCc1nc(CC(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)cs1 95462395 IRHLVXLGNPXTHA-OAHLLOKOSA-N 396.310 2.696 0 40 GFAB CC(C)(C)OC(=O)N1[C@H](Cc2ccc(Br)cc2)COS1(=O)=O 116421566 BSBOQPCBENVYGB-GFCCVEGCSA-N 392.271 2.872 0 40 GFAB CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]1C=C[C@@H]1[C@H](C)[C@@H](O)C[C@H]3CC(O)=C(C[C@H]21)C(=O)O3 1772591919 UWWREIQRGHNEAS-NKOPFNEVSA-N 390.476 2.911 0 40 GFAB Cc1cc(NC(=O)COC(=O)Cc2csc(-c3ccsc3)n2)n(C)n1 11186366 IYVWISSSSQPLPS-UHFFFAOYSA-N 376.463 2.638 0 40 GFAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 12739627 PUCRDUYNPGTRLY-AWEZNQCLSA-N 381.432 2.659 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12740366 PUFNLQUWNSMIOU-CYBMUJFWSA-N 395.438 2.535 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715376 LGRMKBMGJRRPOO-QGZVFWFLSA-N 394.468 2.695 0 40 GFAB Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)CCc3ccncc3)o2)cn1 19215122 BGTLTLJCGPZHRQ-QGZVFWFLSA-N 399.476 2.544 0 40 GFAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC(C)C)CCO1 19446540 GFCFGUVNWNOYJN-QHCPKHFHSA-N 395.503 2.681 0 40 GFAB COc1ccccc1N1C[C@H](NC(=O)[C@H](C)Cn2cnc3ccccc32)CC1=O 19457755 ROBIQISYPFMCRV-HZPDHXFCSA-N 392.459 2.603 0 40 GFAB CCc1cc2c(=O)n(CC(=O)NCc3ccccc3N3CCCC3)cnc2s1 19714826 TZQWZZHFLZFYME-UHFFFAOYSA-N 396.516 2.937 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 14707758 VSJGFZYUKREFMO-UHFFFAOYSA-N 394.880 2.832 0 40 GFAB CCN(C(C)=O)[C@@H]1CN(S(=O)(=O)c2cn(CC)nc2C)C2(CCCCC2)C1 1848352521 VFJKCAPTVBJJGO-KRWDZBQOSA-N 396.557 2.546 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 32723172 MHIDCLAUFDIPMX-MSOLQXFVSA-N 385.483 2.920 0 40 GFAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc(F)cc1Cl 36654532 IPHBLCOXLIJJSC-HNNXBMFYSA-N 375.787 2.581 0 40 GFAB COc1ccc(CCNC(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1 245070557 QOWJBQIXSGEGPB-GOSISDBHSA-N 389.521 2.920 0 40 GFAB O=C1CCC[C@@H]2[C@H](CCN2c2ncnc3[nH]cnc23)N1Cc1ccc(F)cc1 2037844214 PAWYSYMNGABKLF-CVEARBPZSA-N 380.427 2.652 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)c1 7455501 SYJACIAOSRLDGI-UHFFFAOYSA-N 381.388 2.511 0 40 GFAB COc1ccccc1CN1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745535 HTPUBLBBQFZABX-UHFFFAOYSA-N 386.521 2.877 0 40 GFAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)CCc2ccc(Cl)cc2)C1 2055771504 DBNSGQACTOVWAX-HXUWFJFHSA-N 388.899 2.575 0 40 GFAB CN1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2)c2ccsc2)CC1 22765433 GFCWKLMVXCVOTA-GOSISDBHSA-N 393.940 2.885 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CCCC1 22907264 UGPZYAHIFMQQFL-LJQANCHMSA-N 381.476 2.554 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)n2ncc(C(N)=O)c2N1 101509945 RZAAPSQZEMYPPS-GOSISDBHSA-N 389.415 2.615 0 40 GFAB O=C(O)/C=C/C(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 112124320 HJNJRRFFZDRRDS-SIFUEBAJSA-N 396.424 2.690 0 40 GFAB C[C@@H]1Oc2c(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cccc2[C@H]1C 40042733 TVXAJTWIKCWZSC-HOTGVXAUSA-N 394.471 2.973 0 40 GFAB CCN1C[C@H](CN(C)C(=O)c2csc(-c3cnn(C)c3)n2)Oc2ccccc21 40144025 PNTQPLLIZURKSD-HNNXBMFYSA-N 397.504 2.903 0 40 GFAB NCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 1857794411 ACLWXUGWEQNQCF-ZIFCJYIRSA-N 398.617 2.908 0 40 GFAB COc1ccccc1-n1cnc2cc(C(=O)NCc3ccncc3)ccc2c1=O 31821108 IVBPXOQVSPHGEH-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB O=C(CNc1cccc(Cl)c1Cl)NN1C(=O)NC2(CCCCC2)C1=O 11622698 XSZIBPOUEVRVAR-UHFFFAOYSA-N 385.251 2.691 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)cc1F 3434542 NTHSZMHOAFNWHK-UHFFFAOYSA-N 397.403 2.630 0 40 GFAB CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)cc1 4107710 SFHXNTMJJBVWLW-NSHDSACASA-N 391.518 2.947 0 40 GFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4ccncc4)CC3)c2c1 20721870 YLLJRNOCGFVBGN-FQEVSTJZSA-N 380.448 2.515 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)c1 4852552 IOSGVIBONFEHJT-GAZPGATBSA-N 377.396 2.663 0 40 GFAB CCCn1nnnc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 6462575 IEJHKNBOBSILGP-UHFFFAOYSA-N 380.477 2.728 0 40 GFAB CC(C)(C)OC(=O)NC1(CNC(=O)Cn2ccccc2=O)CCCCCC1 46394705 HWHGEUPJMREXSX-UHFFFAOYSA-N 377.485 2.582 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102127738 SHWWPUWRBVFRNI-GJZGRUSLSA-N 396.443 2.768 0 40 GFAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)N2CCCC2)CC1 32899621 BYCRJWIQKVZXHJ-UHFFFAOYSA-N 391.471 2.891 0 40 GFAB Nc1nc(N)nc(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)n1 8000921 ATLSRNDBXLDXOM-UHFFFAOYSA-N 398.492 2.882 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c(C)c1 8039188 AEPUUDMNLCRSAF-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB CCOC(=O)N1CCC(NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 9363923 ZIOIGVMFBSKNLH-SFHVURJKSA-N 378.513 2.934 0 40 GFAB COC[C@H](C)NC(=O)COC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 12176143 LOFFXTKTIVGHND-LBPRGKRZSA-N 389.473 2.830 0 40 GFAB Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)c2ccc(F)cc2n1 41829011 PEUVVNQYELVJQO-HNNXBMFYSA-N 383.345 2.965 0 40 GFAB O=C(NC[C@H]1COCCO1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 54618502 WAKAOEJNGPOJFA-HNNXBMFYSA-N 387.823 2.931 0 40 GFAB COc1c(NC(=O)c2cnn(-c3cccc(Br)c3)c2)c(C)nn1C 115120931 KQQBRYLBXLRBGO-UHFFFAOYSA-N 390.241 2.938 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 24226316 RIWXJILHUHTVFP-IRXDYDNUSA-N 386.521 2.893 0 40 GFAB C[C@@H]1Oc2ccccc2N(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1=O 26067756 CPSQLUIKRLZSFI-KRWDZBQOSA-N 393.487 2.581 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(=O)N1CCCC1)c1ccccc1 35388073 HTIRHJOEHOEFGN-FQEVSTJZSA-N 376.460 2.719 0 40 GFAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccnc(-n2cncn2)c1 57216061 DRNDRGNWQWEZEG-UHFFFAOYSA-N 376.420 2.587 0 40 GFAB CCOC(=O)c1sc2ncnc(OCC(=O)N3CCC(C)CC3)c2c1C 3352719 BSWWOAJBHOTSIZ-UHFFFAOYSA-N 377.466 2.814 0 40 GFAB CCN(CC)[C@H](CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C)c1ccco1 58279106 XQLPFTNSZBQEDK-CRAIPNDOSA-N 375.469 2.826 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(=O)OC)cc1 2253624 WODAYRVMCOXOFV-NHYWBVRUSA-N 388.445 2.685 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nc(SC)ncc1Cl 36394394 UWOUWBQSIZDWIR-UHFFFAOYSA-N 397.840 2.908 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1csc(-c2ccccc2)n1 28509206 AMKGYJCEZNZNNT-INIZCTEOSA-N 393.534 2.631 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 11144724 QFFHNHAXNKLGBM-UHFFFAOYSA-N 387.465 2.944 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2nccs2)CC1 12973751 GXMDOZZHOALQHY-UHFFFAOYSA-N 378.306 2.961 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(OC)c(OC)c2)cc1 3500774 IPRDDSCWYHZPRO-UHFFFAOYSA-N 386.433 2.663 0 40 GFAB CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(N)s1 3525810 AJMUDXCYHASSDI-UHFFFAOYSA-N 378.435 2.774 0 40 GFAB Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 4183479 XNDICKHGHRTAPZ-INIZCTEOSA-N 393.530 2.960 0 40 GFAB CC(C)Cc1nc2oc3c(=O)n(CC(=O)N4CCCC4)cnc3c2c2c1CCC2 13683185 TZCKPUUXQGHMKX-UHFFFAOYSA-N 394.475 2.847 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C)c1 5075411 LCNGHXPTHDXUQA-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccc2O)N1Cc1cccnc1 13725891 RLCLRDFXSYKCAR-NQIIRXRSSA-N 396.468 2.636 0 40 GFAB Cc1ccccc1CN(C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4468974 IWOYCBCNPCZXQD-QHCPKHFHSA-N 391.471 2.737 0 40 GFAB CC1(C)Cc2cccc(Oc3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)c2O1 65564399 VJJMWHOUUJGRQY-UHFFFAOYSA-N 396.486 2.999 0 40 GFAB C[C@@H](NC(=O)COC(=O)c1ccc(C(N)=O)cc1)c1ccc2ccccc2c1 14199616 KILLGWLNJFMZPP-CQSZACIVSA-N 376.412 2.973 0 40 GFAB COc1ccc2c(C)c(CC(=O)Nc3ccccc3C(N)=O)c(=O)oc2c1C 6624410 SAOIXFHZUCPRTD-UHFFFAOYSA-N 380.400 2.699 0 40 GFAB biogenic CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 15235542 LAALHTRNPRIZIN-PKAMJGAUSA-N 388.464 2.520 0 40 GFAB COc1cccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)c1 67299401 SKFOGJSSZPHFHC-GFCCVEGCSA-N 386.477 2.548 0 40 GFAB COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)cc1 67235827 RYLIOJCPGXERAZ-LBPRGKRZSA-N 386.477 2.548 0 40 GFAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 15696026 OZPSVOJDENYWOX-GFCCVEGCSA-N 398.431 2.519 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c(F)cccc1Cl 15718000 BGSMPPPXEQFWKW-UHFFFAOYSA-N 396.871 2.861 0 40 GFAB O=C1C[C@@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)CN1Cc1ccco1 7735564 SLGOVLKFDYSJKG-LJQANCHMSA-N 390.443 2.647 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)c1ccco1 7990689 JPHXJCXUHIQMHK-QGZVFWFLSA-N 392.411 2.666 0 40 GFAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996298 NCFCCQWNAINUPL-OAHLLOKOSA-N 399.491 2.831 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccccc1-n1cnnn1 7978780 QBTXARSVKMCITR-ZDUSSCGKSA-N 375.388 2.880 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1 7988576 DQGHOYFRWKVSOR-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)[nH]1 16467887 YMFGOFHLXPNJLR-UHFFFAOYSA-N 382.464 2.630 0 40 GFAB CCOC(=O)c1sc2ncnc(NCC(C)(C)N3CCOCC3)c2c1C 19299313 UPLTYIYJLPCQQE-UHFFFAOYSA-N 378.498 2.699 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9885218 KOKXEEJWASHMQH-KRWDZBQOSA-N 391.427 2.531 0 40 GFAB O=C(O)c1cccc(S(=O)(=O)N2CCc3cc(Br)ccc32)c1 71833040 QXHZWULUJWRQPQ-UHFFFAOYSA-N 382.235 2.899 0 40 GFAB CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(Oc2ccccn2)CC1 72308079 GBYZZBLVDPNDRR-IBGZPJMESA-N 382.464 2.512 0 40 GFAB O=C(O)c1ccn(-c2ccccc2NC(=O)c2cnc(-c3ncccn3)s2)n1 95424656 QETOGMWPSOMDHX-UHFFFAOYSA-N 392.400 2.736 0 40 GFAB C[C@H](NS(=O)(=O)N1CCc2ccccc2C1)c1ccc2c(c1)CCC(=O)N2 97907374 ZKUDULLPABBYQF-AWEZNQCLSA-N 385.489 2.525 0 40 GFAB COc1ccc(CC(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98211662 HFJMQSNYWUEHRP-UHFFFAOYSA-N 376.460 2.977 0 40 GFAB CCOc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2C(=O)OC)cc1 79098218 GLIBKCCNJZRHGT-UHFFFAOYSA-N 381.425 2.832 0 40 GFAB CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(C)(C)C 89694554 BTNQWSMQNZCSDJ-HUUCEWRRSA-N 380.489 2.940 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306126739 FDTMVAHGIMXNTE-JKSUJKDBSA-N 379.489 2.896 0 40 GFAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408605604 NCPBEUSUAGZAAH-INIZCTEOSA-N 382.526 2.791 0 40 GFAB CCn1ncc([C@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)c1C 36621397 IUEHLAOWUIEYTA-CQSZACIVSA-N 397.460 2.705 0 40 GFAB CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 38755734 CUPXKZZCYFWHSP-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218057675 VUUITNNDAYGDSQ-XYJFISCASA-N 379.865 2.540 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)Nc2nc3cc(Cl)ccc3s2)C1=O 32909865 VEBOFLDSBOEUMB-UHFFFAOYSA-N 380.857 2.999 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1ccc(Br)s1 1565522503 JJHXKWHXQHZDLF-ZDUSSCGKSA-N 392.296 2.606 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(oc4nc(C)c(C)cc43)c2=O)cc1 32092910 MZJRCIXFFWIOPK-UHFFFAOYSA-N 378.388 2.802 0 40 GFAB CCOc1ccc(NC(=O)[C@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cc1 225958603 CMDIHIVNSHSFTA-GOSISDBHSA-N 380.441 2.628 0 40 GFAB C[C@H]1CN(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 195729268 VSRQTQASZMJZBW-TXEJJXNPSA-N 397.324 2.706 0 40 GFAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3onc(C)c3C)cs2)C1 44891329 MWYXZEZJQSJDES-ZDUSSCGKSA-N 398.506 2.984 0 40 GFAB COC(=O)c1cn(Cc2cccc(C)c2)nc1S(=O)(=O)N(C)c1ccccc1 49402284 LRQFSYQJSBXUGA-UHFFFAOYSA-N 399.472 2.852 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)nc1C 96118785 FEXIQNYJJQSVKY-LLVKDONJSA-N 386.433 2.538 0 40 GFAB CS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc(Cl)c1 96520805 OQUAJKCBUZFWKD-MRVPVSSYSA-N 392.496 2.862 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1NCCc2cc3c(c(OC)c21)OCO3 95611599 ZPSPOYAHTOQXBP-IAGOWNOFSA-N 399.399 2.540 0 40 GFAB Cc1nc(NCc2cccc(C(F)(F)F)c2)cc(C(=O)N2CCOCC2)n1 96182823 PPZQGDPKPJROFR-UHFFFAOYSA-N 380.370 2.888 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257211863 CAUSJSKZIOEUBI-QGZVFWFLSA-N 397.479 2.600 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)c1 257318881 VPUQRQKJCOLWOA-KXBFYZLASA-N 386.423 2.619 0 40 GFAB COCc1ccc(NC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 370079597 FENNSFNJQJQYGX-QFIPXVFZSA-N 383.492 2.934 0 40 GFAB CN1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CCC12CCOCC2 1615590088 YSMPUXCDRFKBOA-UHFFFAOYSA-N 399.535 2.526 0 40 GFAB C[S@](=O)c1ccc(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1 1123650114 YMAPLIHSWWSVGI-RXBISOJRSA-N 380.416 2.505 0 40 GFAB CN1CCNC[C@H]1CNC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 666687957 GOTWVGOARZGSGT-ZDUSSCGKSA-N 399.442 2.854 0 40 GFAB CCC(=O)N1CCc2ccc(NS(=O)(=O)CCOc3ccccc3)cc2C1 96025697 ROMSEEWBAYBPQR-UHFFFAOYSA-N 388.489 2.802 0 40 GFAB O=C(Cn1ccc2ccccc21)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96104138 SXGIRZISVWNRIP-UHFFFAOYSA-N 386.473 2.840 0 40 GFAB O=C(NCCn1ccc(-c2cccs2)n1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 96103851 CTDYGJBQDDOUNL-CQSZACIVSA-N 398.463 2.920 0 40 GFAB Cc1ocnc1C(=O)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615158054 PUIZTFSIBRPEAQ-FQEVSTJZSA-N 387.411 2.550 0 40 GFAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)NCCCCCC(=O)O)c3)C(=O)[C@@H]2C1 5500752 QCEWONAHOVMTNB-ZWKOTPCHSA-N 398.459 2.907 0 40 GFAB C[C@H](O)CN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 12185771 YWAQLHWCUUBRFF-INIZCTEOSA-N 382.460 2.925 0 40 GFAB CCOCCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 12992369 CLERERBMSLVHSJ-UHFFFAOYSA-N 390.505 2.630 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1 13580970 OFVOVTMYYXDSOL-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)c1 16121256 YBMMNBGLMMCUAH-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB O=C(CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)Nc1ccc(F)c(F)c1 17914973 COXCWYOFZDDTOQ-NSHDSACASA-N 380.778 2.924 0 40 GFAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)ccc2n1C 19286521 FEBBBCGNZZCGSB-HXUWFJFHSA-N 390.491 2.637 0 40 GFAB O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 19293092 FIKDGWZSYGWPKD-MRXNPFEDSA-N 382.439 2.808 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19293688 XPIVDRPRQSQWTC-MRXNPFEDSA-N 378.407 2.530 0 40 GFAB Cc1nc2cc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)ccc2n1C1CCCCC1 19663703 HWHIFHBWVXLIAC-INIZCTEOSA-N 397.523 2.986 0 40 GFAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[C@@H](C(=O)O)c3ccccc3)CC2)C1 634866353 VAJDXYUPVITSLQ-QFBILLFUSA-N 386.492 2.742 0 40 GFAB Cc1ccn(-c2ccc(N3CCN(c4cccc(C(F)(F)F)n4)CC3)nn2)n1 1888930559 MVSPDKGWTMCQHV-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB Cc1nn(-c2ccc(C(=O)Nn3cnnc3S)cc2)c(C)c1Br 28899025 YQQYARHPBHELSK-UHFFFAOYSA-N 393.270 2.516 0 40 GFAB COc1ccc(-c2ccc(SCC(=O)NC[C@@H]3CCCO3)nn2)cc1OC 4355701 XVUZWIPAQGMHIR-AWEZNQCLSA-N 389.477 2.548 0 40 GFAB O=C(CC1=Nc2ccccc2S(=O)(=O)N1)Nc1cccc(Br)c1 15826740 RSAZCXTUEMIVCE-UHFFFAOYSA-N 394.250 2.800 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4ccncc4)CC3)c2F)cc1 1775974760 OOTXVHPWISQRBS-UHFFFAOYSA-N 393.422 2.649 0 40 GFAB O=C(NCc1ccc(F)cc1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775973755 YSGBYJYEYAORAO-UHFFFAOYSA-N 378.407 2.816 0 40 GFAB CCOc1ccc(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 23106225 OGJRITNROJBUMX-OAQYLSRUSA-N 386.467 2.957 0 40 GFAB COCCCNC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 33266740 JXXFIVPMAOBQSP-UHFFFAOYSA-N 385.851 2.870 0 40 GFAB O=S(=O)(CCCOc1ccccc1)NC[C@@H]1CCCN1c1nccs1 206784335 JSYUCFPEQBBYLY-HNNXBMFYSA-N 381.523 2.500 0 40 GFAB COc1ccc(C(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)cc1F 585147108 IPJWOPRGIRONGG-GFCCVEGCSA-N 396.216 2.680 0 40 GFAB COC(=O)C1CCN([C@@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22609530 ZFOXQIALCZOELR-AWEZNQCLSA-N 390.440 2.610 0 40 GFAB Cc1ccc([C@@H](CNC(=O)CCC(=O)c2cccs2)N2CCOCC2)o1 40018099 MXKOFFUFDDMJCP-OAHLLOKOSA-N 376.478 2.802 0 40 GFAB Cc1oc(C(=O)NCCSC2CCCC2)cc1S(=O)(=O)N1CCCC1 40133647 AYWPYNWXRFYATB-UHFFFAOYSA-N 386.539 2.778 0 40 GFAB Cc1nc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)sc1C 40282980 GFQYJPXMDBSHHX-UHFFFAOYSA-N 390.484 2.967 0 40 GFAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1 2419897 ZEHZHOVRKJMWIS-LJQANCHMSA-N 378.428 2.908 0 40 GFAB Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)c1ccccc1F 919829 VUDHFUHPZLIZAW-UHFFFAOYSA-N 382.424 2.722 0 40 GFAB COc1ccc(C(=O)Nc2nnc(SCC(=O)NC(C)(C)C)s2)cc1 1381431 BBANQXDWGUKOOC-UHFFFAOYSA-N 380.495 2.806 0 40 GFAB O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CC[C@@H](N2CC=CC2)C1 101277901 VWQFFCVTAAFTNP-RBUKOAKNSA-N 375.472 2.665 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1 3462856 FBNXUNDUJWXAJN-FQEVSTJZSA-N 399.834 2.948 0 40 GFAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 7977697 KJHHEHGEWHDDGO-UHFFFAOYSA-N 394.460 2.785 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 8336309 WVBPZQPTQPPVOS-UHFFFAOYSA-N 398.802 2.873 0 40 GFAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 8433820 UQPOJRJJQREWBU-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COc1cc(CNCCNCCO)cc(Cl)c1OCc1ccc(F)cc1 22075761 JKUBWVKYOPXFMJ-UHFFFAOYSA-N 382.863 2.738 0 40 GFAB CCOC(=O)CN(CC1CC1)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 58061087 CVAJIBIJINCLRW-CMDGGOBGSA-N 377.437 2.527 0 40 GFAB COc1ccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 665469 WYYIDJDRVATXDE-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB CCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccc(C)nc21 12409887 ALXKQZMXDBHUHE-UHFFFAOYSA-N 381.432 2.672 0 40 GFAB COc1ccc(CNS(=O)(=O)c2cccc(Br)c2)c(OC)c1 34378842 MYNCHPIVDONINL-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Sc2nncn2C)c(OC)c1 55048360 ZLDJJJHLCVYSOK-DOMZBBRYSA-N 376.482 2.677 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 61720998 UIMQDGMXAOTCGB-SZNDQCEHSA-N 393.443 2.679 0 40 GFAB O=C1C[C@H](Nc2ccc3c(c2)OCCCO3)C(=O)N1CCc1ccccc1F 55118309 KOUARSLCQQWKOL-KRWDZBQOSA-N 384.407 2.769 0 40 GFAB COC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OC)c2c(C)c(Cl)c(=O)oc2c1 3183106 ACTSPIHLGHIAGG-UWVGGRQHSA-N 398.795 2.635 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 106088444 MWMJLELXHZSIGT-MBOZVWFJSA-N 387.524 2.902 0 40 GFAB COc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(Br)cc1)C(=O)N2 1320667 VBQQNZKHFYVHCV-KRWDZBQOSA-N 376.206 2.870 0 40 GFAB COc1cccc(NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)c1 103052034 GALTUALYCYLCKF-UHFFFAOYSA-N 375.450 2.803 0 40 GFAB O=c1n(N=S(=O)(c2ccccc2)c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]2CC1 102967249 PSOYZJARKQYMSM-HZPDHXFCSA-N 394.456 2.607 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 25104432 CJDVUTNHAPBMCF-SGTLLEGYSA-N 389.835 2.900 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cn(C)c4ccccc34)C2=O)o1 107808053 KBBJVQRJTCRGPH-DHDCSXOGSA-N 379.372 2.651 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1S(C)(=O)=O 55788667 NAWQLUWPMAEVMV-UHFFFAOYSA-N 388.445 2.603 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)NCCCOCC1CC1 21700719 JGYHGGBAEROXGG-UHFFFAOYSA-N 392.315 2.943 0 40 GFAB Cc1nn(Cc2cccc(C(=O)N3CCOCC3)c2)c(C)c1Br 27970585 QVJPLBYPTQFPKU-UHFFFAOYSA-N 378.270 2.783 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 20493442 FAIXENCAZAMGNI-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 57745071 VSSPYMUYTQVAQD-UHFFFAOYSA-N 393.436 2.814 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 58283474 MRKAWECRIYHUIO-DLBZAZTESA-N 379.298 2.927 0 40 GFAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCCC3)nc2)c1C 36397473 BDBQRZJRAWZOMG-UHFFFAOYSA-N 386.452 2.682 0 40 GFAB CCOC(=O)CSc1nnc(NC(=O)/C=C/c2cccc(OC)c2)s1 12782952 IZMFQJBKQPFAEV-BQYQJAHWSA-N 379.463 2.854 0 40 GFAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccccc1 12753398 YQCQYPNFHFNVOR-QFIPXVFZSA-N 377.444 2.692 0 40 GFAB COc1cc(OC)c(N2C[C@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1Cl 48231322 ZQPPUFWITRUTKE-QWHCGFSZSA-N 380.872 2.969 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(C)cc1 3491522 PWKFTKIOHVFDLR-UHFFFAOYSA-N 383.477 2.696 0 40 GFAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 3464429 QLILNSVZTJHXES-IBGZPJMESA-N 377.872 2.946 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 3406001 UTMSUUWOYDVSHV-UHFFFAOYSA-N 387.244 2.878 0 40 GFAB Cc1c(C(=O)NCc2ccccc2CN(C)C)sc2nc3n(c(=O)c12)CCC3 12922250 BHBVLJJLDMTLFG-UHFFFAOYSA-N 396.516 2.704 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3cccc(NC(C)=O)c3C)CC2=O)c1 13023870 OOWBPBPLXMBISB-HNNXBMFYSA-N 381.432 2.954 0 40 GFAB CN(C(=O)c1cc(-c2cccnc2)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 39969552 HVPHGYNKNWEPIY-OAHLLOKOSA-N 381.457 2.556 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1 5292296 OYGAAXFRZCDHHH-UHFFFAOYSA-N 383.492 2.722 0 40 GFAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 14187618 SCHKNNQZWMCSAH-HNNXBMFYSA-N 378.538 2.881 0 40 GFAB CCCCNC(=O)COC(=O)[C@H](NC(=O)Cc1cccc2ccccc12)C(C)C 14240976 ODHGKZQIPFGYBR-JOCHJYFZSA-N 398.503 2.983 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)c1 6561693 MTJZQBADBGAOMB-GFCCVEGCSA-N 383.379 2.824 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6586726 DKUUOURSQUIESJ-HXUWFJFHSA-N 399.512 2.770 0 40 GFAB Cc1c(CC(=O)NCC2(CC(=O)O)CCCCC2)c(=O)oc2cc(O)ccc12 6624312 GHMDLZFWKVUJMA-UHFFFAOYSA-N 387.432 2.891 0 40 GFAB biogenic CCc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408597698 VWVAJQYDXFYMKA-AWEZNQCLSA-N 376.478 2.872 0 40 GFAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCCc1ccccc1 6662542 BGMOKHZFOAKYCX-INIZCTEOSA-N 391.475 2.703 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2cn(C)c3ccccc23)cc1OC 5703421 CEQRFZCBGZDUJG-UHFFFAOYSA-N 382.416 2.669 0 40 GFAB CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 6882304 VBZKPPFEPZGWIX-HXUWFJFHSA-N 398.459 2.964 0 40 GFAB COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O 6946919 JRNFTEHIMNDJCV-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)c1cc(-c2ccccc2Cl)nn1C 80337903 ODMOFWKEKXIKBN-CYBMUJFWSA-N 381.885 2.765 0 40 GFAB COc1ccc(C)cc1CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 7449932 SSBVNFJPARUCJH-UHFFFAOYSA-N 395.434 2.970 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)N1CCC(C)CC1 408705798 NQKWWOYSAJIKCE-UHFFFAOYSA-N 380.510 2.788 0 40 GFAB CCc1cccc(NC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)c1 16051115 WEOKUTMQAZJFQP-QGZVFWFLSA-N 383.473 2.801 0 40 GFAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)OCCO2 7735173 QPPIZLPEPWZDLI-LLVKDONJSA-N 382.338 2.516 0 40 GFAB CC(=O)Nc1ccc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 7981665 BMNIWYICXRIIIX-UHFFFAOYSA-N 378.432 2.624 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(c2ccccc2Cl)CC1 8077084 JRIHSYNPWNSOHL-UHFFFAOYSA-N 398.850 2.506 0 40 GFAB C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccco1 9254749 WWTVIGYGMZQXER-VIFPVBQESA-N 377.249 2.742 0 40 GFAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CC1 9581526 DFNUEGTWQAKDMR-HNNXBMFYSA-N 387.505 2.654 0 40 GFAB Cc1nc2c(c(C)c1CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c(=O)[nH]n2C 72285350 NSWNDPYNGHQJKU-UHFFFAOYSA-N 398.511 2.883 0 40 GFAB O=S(=O)(c1cc(NCCCc2ccccc2)ccc1F)N1CCOCC1 97058771 MCUXQZWVQKDNHU-UHFFFAOYSA-N 378.469 2.891 0 40 GFAB Cn1ncnc1COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 84304021 MUUJQRZQWAMUID-UHFFFAOYSA-N 378.498 2.785 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23145075 ULEXTUJRUYURLT-UHFFFAOYSA-N 395.531 2.971 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NC(=N)c2cccc(C(F)(F)F)c2)cc1 95452493 BODTYRNWJDVCPE-UHFFFAOYSA-N 399.394 2.711 0 40 GFAB CCOc1cc(CNc2ccn(CCC(N)=O)n2)cc(Br)c1OC 84804953 CIKZIGPSZHUCGV-UHFFFAOYSA-N 397.273 2.540 0 40 GFAB C[C@H](CS(C)(=O)=O)N(C(=O)COc1ccc(C(F)(F)F)cc1)C1CC1 79093770 XMZZICLPKYZYJA-LLVKDONJSA-N 379.400 2.508 0 40 GFAB CCn1nc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1=O 95956666 HAIIZOKGIWBIIL-UHFFFAOYSA-N 380.379 2.907 0 40 GFAB CC[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 95945078 PJRICKNKWLHZBZ-SFHVURJKSA-N 376.478 2.607 0 40 GFAB COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@H]2c2cccc(OC)c2)cc1 408704406 MYQGTVTWBUAEIJ-IBGZPJMESA-N 391.431 2.876 0 40 GFAB COc1cc2nc(NN)n(-c3cccc(C(F)(F)F)c3)c(=O)c2cc1OC 408712848 WRMVFWXGBCCRLG-UHFFFAOYSA-N 380.326 2.707 0 40 GFAB COc1ccc(-c2noc(CCNC(=O)c3ccc(OC)c(OC)c3)n2)cc1 33544778 RWYVRSYOWNADMB-UHFFFAOYSA-N 383.404 2.735 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC)c(Cl)c2)cc1 408620255 IYPPMMOSZMEPBW-UHFFFAOYSA-N 398.868 2.664 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218433568 IVOMYWUFIFBWNR-JENIJYKNSA-N 393.892 2.849 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1C 408558360 QVVAOPOGCKPLSC-UHFFFAOYSA-N 394.537 2.853 0 40 GFAB CCOC(=O)C1=C(N)n2nc(C(F)(F)F)nc2N[C@@H]1c1ccc(Cl)cc1 3848964 AKQPNXCVGJVAAS-SNVBAGLBSA-N 387.749 2.808 0 40 GFAB biogenic COc1ccc(NC(C)=O)cc1NC(=O)CC1(Cn2cnnn2)CCCCC1 524734431 DRXWYQXGDGDUOF-UHFFFAOYSA-N 386.456 2.619 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 70640222 JDIZMEINYABUPT-INIZCTEOSA-N 396.365 2.892 0 40 GFAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ncccn4)CC3)n2)cc1 56906811 WNSASHPARKGXKS-UHFFFAOYSA-N 389.463 2.589 0 40 GFAB COc1cccc(N(C)CCC(=O)N2CCC[C@H]2c2ccc3c(N)n[nH]c3n2)c1 72374564 MUNQZKAPIMNJJG-SFHVURJKSA-N 394.479 2.739 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1 35312019 WIPZGTGLHBNRTH-UHFFFAOYSA-N 387.524 2.681 0 40 GFAB Cc1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3F)c3ccccc3n12 64871483 CAHMWPAOWNVIJR-UHFFFAOYSA-N 385.786 2.784 0 40 GFAB CC(=O)O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1 72332791 BNYMWYFDNNGEAG-ZBRFXRBCSA-N 382.453 2.795 0 40 GFAB CCc1nc(=O)c2ccccc2n1C1=CCN(Cc2cnc(N(C)C)nc2)CC1 72348321 CDRNBWQXWGPOJW-UHFFFAOYSA-N 390.491 2.562 0 40 GFAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224802451 YPZZFGIPGXQZFE-UHFFFAOYSA-N 393.461 2.635 0 40 GFAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)COc2ccc(Cl)cc2Cl)n[nH]1 225553565 IPWDSBRIWHHDDR-AWEZNQCLSA-N 397.262 2.948 0 40 GFAB COc1ccc(C(=O)N2CCCC2)cc1CN(C)S(=O)(=O)c1ccccc1 224771949 YULLRWWONJXQJY-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225145765 MHHCCKLVUQCBHE-QGZVFWFLSA-N 380.897 2.931 0 40 GFAB C[C@H]1CCCc2nc(S(=O)(=O)N(C)c3cc(Cl)ccc3C(=O)O)cn21 574704150 UWYYSDYHQYPMPJ-JTQLQIEISA-N 383.857 2.957 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3cc(OCC)ccc3c2)CC1 41096597 NQCROVARWQWZLP-UHFFFAOYSA-N 392.477 2.701 0 40 GFAB Cc1cc(C(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)no1 77196398 VVKDUZUDALLKPD-UHFFFAOYSA-N 375.454 2.702 0 40 GFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)C2)n1 95474509 ZALXBUPLKWCELC-XUVXKRRUSA-N 385.556 2.691 0 40 GFAB biogenic O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)NC1CCCCCC1 95472899 DRZGZVKRHKPLGA-UHFFFAOYSA-N 384.476 2.759 0 40 GFAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc12 96242078 WMAIKYSEAJSESC-QGZVFWFLSA-N 392.565 2.972 0 40 GFAB COc1ccc2c(c1)[C@H](C(=O)N1CCC(n3cc(C(=O)O)cn3)CC1)CCC2 656253680 ZRWSYYOGYBMAKS-GOSISDBHSA-N 383.448 2.874 0 40 GFAB COCCN1C(=O)C[C@H](CNc2ncc(Cl)cc2Cl)[C@H]1c1cnn(C)c1 664114145 ONWVOCAUDXJJIR-BZNIZROVSA-N 398.294 2.770 0 40 GFAB Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCCO[C@H]3c3cn[nH]c3)CC2)nc1 606444923 GCBAKJRWKXYHPZ-FXAWDEMLSA-N 383.496 2.614 0 40 GFAB COc1ccccc1CNC(=O)CN1CCC(O)(COc2ccc(C)cc2)CC1 585273546 PIGDMLZNVFVNEW-UHFFFAOYSA-N 398.503 2.526 0 40 GFAB Cn1nccc1/C=C/C(=O)N1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 585290513 XMWQKBIOGUUQCI-OFPNUDFGSA-N 381.476 2.800 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)c1C 182228736 QVGCXUYEKOYXPP-LJQANCHMSA-N 381.476 2.829 0 40 GFAB COC(=O)c1csc(N2N=C3c4ccccc4CC[C@@H]3[C@]2(O)C(F)(F)F)n1 5275034 IKZKQZJSILBQKE-ZBEGNZNMSA-N 397.378 2.967 0 40 GFAB Cn1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 11714797 UPTISKDOYRBVSO-UHFFFAOYSA-N 391.269 2.674 0 40 GFAB O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cccc(-n2cnnc2)c1 12148619 OVJMTHAAMMLVAU-UHFFFAOYSA-N 379.439 2.801 0 40 GFAB CCOC(=O)c1cc(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)nn1C 12224316 TUKYWEHNJITHCF-UHFFFAOYSA-N 393.447 2.560 0 40 GFAB O=C(CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)Nc1ccc(F)cc1 12377129 KTZGGZILPQIJJW-UHFFFAOYSA-N 395.419 2.979 0 40 GFAB biogenic,in-vitro CC(C)C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCOCC1 12764514 XBPMVUKQRCAGCW-LJQANCHMSA-N 380.554 2.591 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1 14222866 CVYNCCAYJUAOFH-UHFFFAOYSA-N 384.461 2.999 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1OC 16681808 YMAIYFAILUUSIS-UHFFFAOYSA-N 382.869 2.577 0 40 GFAB Cn1ccnc1-c1nn(CCNC(=O)[C@@H]2CCCCO2)cc1-c1ccc(F)cc1 19291541 VELONYQQTUQHSB-SFHVURJKSA-N 397.454 2.775 0 40 GFAB O=C(C[C@@H]1CCCO1)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 19708317 RRRJWUPIRJCZLD-IBGZPJMESA-N 385.508 2.983 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cnc3sc(C)cn3c2=O)N2CCCC2)cc1 19717086 DYQOWTPNSSTTNW-SFHVURJKSA-N 396.516 2.940 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@](O)(c1ccccc1)C1CC1)C(=O)C2 230290962 YWYNZYMLGZSBCY-WMQCIHAUSA-N 391.533 2.599 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccc3ncccc3c2)n1 12133984 BPVVBSGMNCUJDF-DETIRCLXSA-N 390.487 2.658 0 40 GFAB COc1ccccc1CC(=O)NCCc1nc(C)ncc1-c1onc(C)c1C 12747565 KQOAMBDKBRTQHT-UHFFFAOYSA-N 380.448 2.967 0 40 GFAB COc1ccccc1S(=O)(=O)NCC1CCN(C2CCSCC2)CC1 244950813 FNBZCEKCQZEVIF-UHFFFAOYSA-N 384.567 2.581 0 40 GFAB Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 17012204 UWPDJXPWBXLVOF-UHFFFAOYSA-N 387.434 2.626 0 40 GFAB COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc3ncn(C)c3c1)CC2 19717750 KRHGHEHSFWGEJO-UHFFFAOYSA-N 394.475 2.977 0 40 GFAB CCn1c(N2C[C@@H]3CN(C(=O)Cc4c(C)noc4C)C[C@H]3C2)nc2ccccc21 1888897654 NQKLTXAKAAMVIM-IRXDYDNUSA-N 393.491 2.798 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1ccccc1Cl 1888978156 ILTYDLNLYCASQM-INIZCTEOSA-N 377.853 2.538 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 21916458 CVYMYEMHIBYCFO-UHFFFAOYSA-N 386.926 2.765 0 40 GFAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCc3cnn(C)c3C)C2)cc1C 2037913035 MEPWXYSGAQGJCT-JOCHJYFZSA-N 385.508 2.710 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccccc4)cnc32)cc1C 4166135 WJMQYFIPYAGDRY-UHFFFAOYSA-N 387.443 2.515 0 40 GFAB Cn1c(=O)c2c(SC3CCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 4139130 WXFMNTLXRYSXQA-UHFFFAOYSA-N 386.452 2.868 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)N3c4ccccc4C[C@@H]3C)CC2=O)cc1OC 4374611 OGPZYSWISRURHO-GOEBONIOSA-N 395.459 2.970 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)c(C)n23)n(C)c1=O 4370499 GRZJPDPVGQBUPB-UHFFFAOYSA-N 379.464 2.782 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)OCc1ccccc1 4479150 DVZWLQUIRMQKOC-UHFFFAOYSA-N 394.818 2.979 0 40 GFAB O=C(c1ccno1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 12443854 FANZPKURQWREMC-UHFFFAOYSA-N 394.403 2.542 0 40 GFAB O=C(Cc1ccc(F)cc1)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13797230 CIHUDNYVVSYZCN-UHFFFAOYSA-N 383.398 2.938 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc1 13701928 WIIKGRUAQJBQQO-UHFFFAOYSA-N 385.449 2.514 0 40 GFAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 585322417 LLAZDWHSLUOKEE-VOTSOKGWSA-N 393.896 2.552 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1C 19214178 QSVMBVZXATYKIJ-ROUUACIJSA-N 394.519 2.913 0 40 GFAB O=C(Nc1cccnc1-n1cccn1)c1cccc(NC(=O)[C@H]2CCCO2)c1 40074197 YKGXDTXVKKUMCE-QGZVFWFLSA-N 377.404 2.637 0 40 GFAB COc1cc(NC(=O)COc2ccc(F)cc2)c(C(=O)N(C)C)cc1OC 40082432 MNBYHNLNMRRDHE-UHFFFAOYSA-N 376.384 2.562 0 40 GFAB O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N(C[C@H]1CCOC1)C1CC1 40121258 KPRDLCTVNZPCFM-GFCCVEGCSA-N 380.370 2.927 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)cc1 1290016 HXVRLLBDPUUCTO-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(OC)cc3)cc2c1 1359294 HSQGPTISTZDLAN-UHFFFAOYSA-N 380.444 2.734 0 40 GFAB CCOC(=O)C(=O)[C@H](CCC(=O)c1ccc2ccccc2c1O)C(=O)OCC 1631850 RKHDSCFUZNLTJV-INIZCTEOSA-N 386.400 2.820 0 40 GFAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1 32072719 XGKSZSKSERSWSA-LBPRGKRZSA-N 389.814 2.587 0 40 GFAB CCOc1ccc(Nc2nc(Cc3nnc(SCC(N)=O)o3)cs2)cc1 4217401 OWLKVAHKOGVWQR-UHFFFAOYSA-N 391.478 2.837 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 4477341 WPEQJRCOMTZQGZ-QRQCRPRQSA-N 377.444 2.822 0 40 GFAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O 4849512 VBDJCSSSDBNNMG-UHFFFAOYSA-N 384.461 2.521 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Cl)cc1 6100036 BQJXBYONTMNTDU-ZENOOKHLSA-N 380.872 2.696 0 40 GFAB CCCCOc1ccc(C(=O)NC(=S)Nc2nnn(CCCC)n2)cc1 6204369 VTSMBJUYFNCGTA-UHFFFAOYSA-N 376.486 2.779 0 40 GFAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 6538646 MGWXQPMDAOJVRR-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 6948378 GBOUGFYHILKTIN-JYRVWZFOSA-N 398.868 2.959 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSC(=S)N1CCCC1 7484276 MUFKIHYSAZGQHM-UHFFFAOYSA-N 379.551 2.814 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)/N=c1\sccn1Cc1ccccc1F 17368846 CRRIAUATBZBESU-ATJXCDBQSA-N 394.431 2.574 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 8291774 JFXIVMBIKGCPCH-OAQYLSRUSA-N 378.428 2.854 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 8416779 BSZYGJVKMYMJAH-UHFFFAOYSA-N 398.415 2.764 0 40 GFAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(N2CCOCC2)nc1 32883643 LTBKLHKXPUDHOE-UHFFFAOYSA-N 379.420 2.540 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(C(=O)OC)cc1 2484729 WFKUDNISDGQPIO-INIZCTEOSA-N 388.445 2.687 0 40 GFAB Cc1nn2c(=O)cc(COc3ccccc3NC(=O)c3ccco3)nc2s1 9858696 OTOCGWGYWIJYQE-UHFFFAOYSA-N 382.401 2.884 0 40 GFAB Cn1cc(CCCNC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cn1 103615359 QPNVFMFCXSTEOK-UHFFFAOYSA-N 394.479 2.992 0 40 GFAB COCCCN(C)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 58045062 UZWHHGPDHQDGAJ-UHFFFAOYSA-N 396.553 2.507 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 23639336 IWQMGCXLJQZEST-UHFFFAOYSA-N 392.908 2.702 0 40 GFAB CCOC(=O)COc1ccc2c(c1)C(=O)c1cc(OCC(=O)OCC)ccc1-2 1273793 XENOFTGQYOWIKY-UHFFFAOYSA-N 384.384 2.782 0 40 GFAB CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCCC1 55293619 SCTITRFTSYXTDN-UHFFFAOYSA-N 378.270 2.950 0 40 GFAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(OC)cc1)Cc1ccccc1 24688161 UHPBMEBUYLAJHW-GOSISDBHSA-N 376.522 2.927 0 40 GFAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 57898153 OLQKPZHGANUCSK-CHWSQXEVSA-N 396.896 2.941 0 40 GFAB CC(C)(C)OC(=O)NCC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 58316651 SPCMAPIKMJWXEN-KRWDZBQOSA-N 376.453 2.590 0 40 GFAB Cc1ccc(-c2nnc(-c3nc(S(C)(=O)=O)ncc3Br)o2)cc1 27993344 PMVPSRVMIYZHSW-UHFFFAOYSA-N 395.238 2.668 0 40 GFAB O=C(Cc1noc(C(=O)NCc2ccc(Cl)cc2)n1)NCc1ccccc1 36360105 RXZJNRGVIXXAMP-UHFFFAOYSA-N 384.823 2.512 0 40 GFAB CCc1nnsc1C(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1 48231379 ZOVSFCJODYYSNG-UHFFFAOYSA-N 398.444 2.733 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)CCc3nc(-c4ccncc4)no3)c2c1 12897548 FCKKHLAPTDRMCK-UHFFFAOYSA-N 391.431 2.913 0 40 GFAB biogenic Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1CC(F)(F)F 3441896 NIMXRDPESVAQJN-UHFFFAOYSA-N 399.369 2.583 0 40 GFAB O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1ccc(F)cc1 3639906 HWFDTYIVRIXZNX-NXVVXOECSA-N 397.387 2.823 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2Cl)Oc2ccccc21 38833804 XUWHCIKYYXRAET-INIZCTEOSA-N 380.853 2.896 0 40 GFAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 4065454 GIVNMNKYQKUZIQ-CQSZACIVSA-N 383.242 2.657 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1OC 13693283 IBPLNCTZDZZXQJ-UHFFFAOYSA-N 393.443 2.783 0 40 GFAB C[C@@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1 5184494 ARSXDJIXDOOMGI-LLVKDONJSA-N 385.807 2.611 0 40 GFAB CNC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2C)c1 8778926 CITPKPBEOIYJMK-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB COCCN1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 65474618 OJYBYHMFNIYULZ-HNNXBMFYSA-N 395.341 2.955 0 40 GFAB Cc1ccc(OC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 21586710 DMTKPYYZKMQIKC-UHFFFAOYSA-N 378.450 2.606 0 40 GFAB Cc1nc2ncnn2c(C)c1CC(=O)NCC1(N2CCCCC2)CCCCC1 8744687 DDWSUXIJULWZGX-UHFFFAOYSA-N 384.528 2.589 0 40 GFAB Cc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1c(C)nn(C)c1C 14231709 DATYVZSWGMVVNQ-UHFFFAOYSA-N 391.472 2.838 0 40 GFAB CCNC(=O)N1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 70759544 UYDUZEACHINGJW-LJQANCHMSA-N 384.455 2.853 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1cccc2nonc12 6660387 KPQNVNIVXIVSGB-KPKJPENVSA-N 386.414 2.959 0 40 GFAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1Cl 6661626 ZWQUJJIFMHDYIB-ZDUSSCGKSA-N 397.866 2.924 0 40 GFAB O=C(Nc1cccc(Cl)c1)c1sccc1S(=O)(=O)N1CCOCC1 8881935 KWMSHNOQJOQYHI-UHFFFAOYSA-N 386.882 2.675 0 40 GFAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1)c1ccc(OC)cc1 5718935 LBDSLZVKSRQXBK-OAHLLOKOSA-N 376.478 2.729 0 40 GFAB CON(C)S(=O)(=O)c1cc(C(=O)NCc2ccccc2C)ccc1Cl 14941704 USFFEHZYFXZNBC-UHFFFAOYSA-N 382.869 2.760 0 40 GFAB CC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC(C)C)CCCC4)CC1 20736599 YARJXOIXOUNILU-UHFFFAOYSA-N 388.537 2.661 0 40 GFAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1cccc2nsnc12 19106897 AQLOMCYUBXYBNF-UHFFFAOYSA-N 387.392 2.975 0 40 GFAB CCOC(=O)[C@H](Sc1nnnn1-c1ccc(C(=O)O)cc1)c1ccccc1 15869156 WXTFHOXAMGMETE-OAHLLOKOSA-N 384.417 2.757 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)Cc2cccs2)CC1 19310488 UKHZGUZHMDHEFE-UHFFFAOYSA-N 396.534 2.932 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCN1C(=O)c2ccccc2C1=O 7831243 GYSMAWNCYUEWSJ-UHFFFAOYSA-N 388.427 2.517 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@H](C)c2ccncc2)cc1C 72038375 QQKHZGZNOMFAML-MRXNPFEDSA-N 375.494 2.539 0 40 GFAB CCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccccc1Br 9725443 LBYBYXGQLDMERL-UHFFFAOYSA-N 392.253 2.954 0 40 GFAB CN(CCOc1ccccc1F)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 94061569 XRYYKADMKSFSJN-MRXNPFEDSA-N 387.459 2.553 0 40 GFAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)s1 9855129 BHSFCNRVIFOBJQ-VIFPVBQESA-N 390.939 2.846 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2F)ccc1OC 20025062 DWAZLINTUCKMDP-UHFFFAOYSA-N 384.404 2.914 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)[C@H]1CCCCN1Cc1cccnc1 97164518 ZRGDJAQEOFWQJU-LJQANCHMSA-N 397.475 2.935 0 40 GFAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 95957642 VLDDNCQCUGLHMZ-QGZVFWFLSA-N 377.448 2.823 0 40 GFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(O)cc1 409062526 WEICWYOZBPLZQU-BOPFTXTBSA-N 398.440 2.548 0 40 GFAB Cc1cccnc1NC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 27973425 ZUHWIFSQXXVEEL-UHFFFAOYSA-N 389.257 2.920 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(F)c(F)c2)C(=O)N3)cc1 31816329 GPWDFHIGKRBCDX-OAHLLOKOSA-N 399.357 2.754 0 40 GFAB CCCCc1ccc(NC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)cc1 32647394 GVNOOCHYCBBNGP-UHFFFAOYSA-N 394.431 2.544 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 33350230 NMGOVUSWQPVCMX-NMLBUPMWSA-N 390.439 2.530 0 40 GFAB COc1ccc(CN(C)C(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 219165757 QMHSKFMUGXIYKC-UHFFFAOYSA-N 390.505 2.900 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32455734 JLFYLDRQFMLVJU-GFCCVEGCSA-N 391.269 2.791 0 40 GFAB CN(C)CCCn1ccc2nc3ncnn3c(-c3ccc(Cl)cc3)c2c1=O 38828837 XWEZRWURSZBMCT-UHFFFAOYSA-N 382.855 2.711 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935072 FYPVKJKFSVWYGD-HNAYVOBHSA-N 388.489 2.708 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225042156 FTNNHBDFVIRUMS-KBXCAEBGSA-N 376.478 2.505 0 40 GFAB Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O 223675917 UCZHDZOSUAZTHQ-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1Cl 44782961 QLRSOVAYOMMNPZ-KRWDZBQOSA-N 398.887 2.831 0 40 GFAB CCc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225955412 BDAXLUCXNNABEZ-SFHVURJKSA-N 376.478 2.877 0 40 GFAB Cn1cc(CC(=O)N2CCCc3c(OCC(N)=O)cccc32)c2ccccc21 570604090 LYFMWFCKGDTDCO-UHFFFAOYSA-N 377.444 2.564 0 40 GFAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc(OC)c1O 199431482 AKYVWVPHEWFTDH-IBGZPJMESA-N 396.487 2.959 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 44880153 UJNVVFSKQKXBFK-KRWDZBQOSA-N 378.538 2.795 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(Br)c1 42646407 WEOSDPSHRQWCSU-UHFFFAOYSA-N 391.221 2.741 0 40 GFAB Cn1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C(F)F)n1 572477386 QOMSFUPMZMKDIF-UHFFFAOYSA-N 380.786 2.769 0 40 GFAB CCOc1ccccc1S(=O)(=O)N1CC(c2nc(-c3ccsc3)no2)C1 77099608 UYJLDNIBTMAYRB-UHFFFAOYSA-N 391.474 2.985 0 40 GFAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccccc1C 224101962 KNRHUXGLIDWAHQ-UHFFFAOYSA-N 382.460 2.920 0 40 GFAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1S(N)(=O)=O 223037332 OSWFNAFYMZVDAC-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB COc1cccc(NC(=O)N2CC[C@@H]3CN(CC(C)C)S(=O)(=O)[C@@H]3CC2)c1 96145607 ZHJFZWTVCUOQAB-CRAIPNDOSA-N 395.525 2.609 0 40 GFAB CN(C)C(=O)CNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96266468 MNVVEJVTLIWQRI-UHFFFAOYSA-N 390.399 2.968 0 40 GFAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)n[nH]1 95480066 BCWRHPONLFIXRV-UHFFFAOYSA-N 394.414 2.527 0 40 GFAB O=C(NCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1 98044065 NJJLJGVZPXYNGT-QGZVFWFLSA-N 386.404 2.683 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)N3CCC(C)CC3)c(=O)cc2OC)cc1 96101069 ONYDPQWPDLREEB-HNNXBMFYSA-N 385.464 2.747 0 40 GFAB O=C(Nc1cccc(F)c1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96260924 NBIAWNGCOYZCST-KRWDZBQOSA-N 375.444 2.994 0 40 GFAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(Cc3scnc3C)CC2)C1 248034235 MWZXIIGCMZXUCI-SFHVURJKSA-N 377.554 2.939 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 260913018 ZOASWQLRSDSMAU-DHSIGJKJSA-N 380.485 2.531 0 40 GFAB COc1cccc(C[C@@]2(C(=O)N[C@H](C)c3nnc(O)n3C)C[C@H]3CC[C@H]2C3)c1 640582672 HTJAWSAIDCVGFS-CDSQMECRSA-N 384.480 2.756 0 40 GFAB Nc1nc(CN2CCC(c3cc(C4CCNCC4)[nH]n3)CC2)nc2ccccc12 662326865 FLQSWQIWNQNUKY-UHFFFAOYSA-N 391.523 2.782 0 40 GFAB Cc1cc(N2CCN(C(=O)c3c(C(F)(F)F)n[nH]c3C)CC2)nc(C(C)C)n1 673733314 VFJZYEUFIAEOTG-UHFFFAOYSA-N 396.417 2.921 0 40 GFAB O=C(Cn1ccc2ccccc21)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390831344 RIGJQOSFLJDJFG-ZDUSSCGKSA-N 377.370 2.674 0 40 GFAB CN(C[C@H]1CCCN1C(=O)CCn1c(=O)n(C)c2ccccc21)c1ccccc1 62580315 BDADGQYFUJPDDL-LJQANCHMSA-N 392.503 2.858 0 40 GFAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1c(OC)cccc1OC 72324883 QCUQHSXSOMINAZ-INIZCTEOSA-N 399.491 2.738 0 40 GFAB CCN(CC(=O)N1CCN(c2ccccc2F)CC1)[C@@H]1CCOC(C)(C)C1 585084867 IOCISUZMLZJOMJ-QGZVFWFLSA-N 377.504 2.754 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615155929 JDTLKCOEKYSPNH-NRFANRHFSA-N 399.422 2.729 0 40 GFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@H]4CCCCO4)nn3cn2)cc1 12085197 GHOLWYNZVHKUOK-WMLDXEAASA-N 395.463 2.936 0 40 GFAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 13057170 ZENQIWTVHWSZQW-IRXDYDNUSA-N 393.553 2.778 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccncc2)N1CCc1ccccc1 13692857 OURDNLADPLUAJR-UNMCSNQZSA-N 394.496 2.973 0 40 GFAB COc1ccc(CN(C)[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 15144322 GVFBAQZKFLLBBB-CQSZACIVSA-N 399.447 2.635 0 40 GFAB CCCc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)s1 15922164 LRAITKAXUZAADK-CQSZACIVSA-N 394.522 2.591 0 40 GFAB COc1cccc(CC(=O)NCCn2ncc(-c3cnccn3)c2C2CC2)c1 19564504 QDKMVEKDGKSUPY-UHFFFAOYSA-N 377.448 2.585 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929749 BYNPIIVAJWQUMP-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB CC(=O)OC[C@@]1(CC(=O)N2CCCC2)CCCN1C(=O)c1ccc(F)c(F)c1 643587238 ZOMRDWKDDPVVJB-FQEVSTJZSA-N 394.418 2.515 0 40 GFAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 9066630 VLYREUMUWSTQLT-LJQANCHMSA-N 388.464 2.564 0 40 GFAB COc1ccc(CC(=O)NCCc2nc(C)ncc2-c2ccncc2)cc1OC 12133905 WZIHRWMBMMSZOU-UHFFFAOYSA-N 392.459 2.766 0 40 GFAB Cc1ccc(C2(O)CCN(CCNC(=O)c3ccc(N(C)C)cc3)CC2)cc1 12326374 WCSWULQTVZEZCS-UHFFFAOYSA-N 381.520 2.774 0 40 GFAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCc1nc2ccccc2s1 7270860 GJTHTRJYPNBFSJ-LLVKDONJSA-N 394.547 2.694 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1Cl 24062418 MCGXWJDPBOAWGH-KRWDZBQOSA-N 395.912 2.744 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccc(OC4CCCC4)nc3)CC2)n1 253537271 IPIYFTZVTQGDAX-UHFFFAOYSA-N 397.479 2.606 0 40 GFAB Cc1ccc(-n2nnc3c(SCC(=O)NCc4ccco4)ncnc32)cc1 4103858 FBEIRJYMEOMXFG-UHFFFAOYSA-N 380.433 2.520 0 40 GFAB Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)cc1 4905006 AJRRWTJIQWOLAL-QGZVFWFLSA-N 391.471 2.862 0 40 GFAB CCc1ccc(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)cc1 8588280 XVQHSFHYRSCCRC-UHFFFAOYSA-N 383.835 2.854 0 40 GFAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)CC2CCCC2)c1=O 12072079 MWGDIIVOMVCUAC-UHFFFAOYSA-N 393.491 2.646 0 40 GFAB Cc1ccc(C(=O)N[C@@H](c2nnc(-c3cccs3)o2)P(=O)(O)O)cc1 41154266 ATUJPFIVCYBDQE-OAHLLOKOSA-N 379.334 2.713 0 40 GFAB CC(=O)N1CC[C@H](c2nn(CCNCc3ccccc3Cl)c3nccnc23)C1 72391604 QNEDGGXZVYAVTL-INIZCTEOSA-N 398.898 2.605 0 40 GFAB CCOc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC 13748091 ZTROBHRZBYQYLP-BOPFTXTBSA-N 397.431 2.912 0 40 GFAB COc1ccc2nc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)sc2c1 40040309 VWHHTKOTLNLGTI-UHFFFAOYSA-N 391.474 2.953 0 40 GFAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1 20358602 DHQVVBRZMJVGCJ-UHFFFAOYSA-N 393.557 2.686 0 40 GFAB CC/C(NCc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 20330721 VZFUBBRTBOWUBM-ISLYRVAYSA-N 397.406 2.871 0 40 GFAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 31601939 YYRZSTADYCWDTR-OAHLLOKOSA-N 392.525 2.576 0 40 GFAB CCCCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2ccccc2c1=O 6034893 VUUWDMSGGFGKHT-HUUCEWRRSA-N 389.521 2.925 0 40 GFAB Cc1c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)oc2ccccc12 7734079 JVYGIOZIMQLMBG-UHFFFAOYSA-N 375.402 2.624 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl 100307626 WGFHSIVDHDSQFC-ZYHYCFKLSA-N 377.227 2.691 0 40 GFAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 32759681 CFVVMXAZJBMSHN-GOSISDBHSA-N 396.447 2.649 0 40 GFAB Cc1cc(NC(=O)C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)no1 52403247 OUIXRFTUYRHFPJ-UHFFFAOYSA-N 381.436 2.808 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc2ccccc2[nH]1 10687549 JYCAZDGLRJIIPM-UHFFFAOYSA-N 389.502 2.944 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)cc1 8416261 NFJXGHZQOPUSOD-UHFFFAOYSA-N 383.404 2.546 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl 22191707 YIICXPACOMJIIR-CQSZACIVSA-N 394.324 2.525 0 40 GFAB CCOc1cc(/C=C2\N=C(C)OC2=O)cc(Br)c1OCC(=O)OC 679188 RXYBPOAEJAPGSV-SDQBBNPISA-N 398.209 2.716 0 40 GFAB CC(C)CNC(=O)NC(=O)COC(=O)CCCc1nc2ccccc2s1 28933524 HMCSDABXMPZMBT-UHFFFAOYSA-N 377.466 2.644 0 40 GFAB Cc1ccc(C(=O)CC[C@H](C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 3050916 UQFZMPSMLHTOBT-QGZVFWFLSA-N 379.865 2.939 0 40 GFAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 55149553 SOSVCKVLJMZZPA-QWHCGFSZSA-N 384.354 2.893 0 40 GFAB CCc1nn2c(=O)cc(COC(=O)c3cc(Cl)cc(Cl)c3N)nc2s1 21712843 AUTFWPWNCBCRPQ-UHFFFAOYSA-N 399.259 2.959 0 40 GFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(C(=O)c2ccco2)C1 25324998 QEESZKLUJUVROL-HNNXBMFYSA-N 380.448 2.757 0 40 GFAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 26280044 WYQFLECBSMETQR-ZDUSSCGKSA-N 379.482 2.559 0 40 GFAB O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCN1Cc1ccccc1 57175682 XBKRIWTUJBJPBY-QFIPXVFZSA-N 378.520 2.827 0 40 GFAB COC(=O)[C@H]1CN(S(=O)(=O)c2cccc3cc(C)cnc23)c2ccccc2O1 12592422 JAJHKRXAPVHTMJ-QGZVFWFLSA-N 398.440 2.673 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C 12556986 FGDYNNUNQZTWSA-UHFFFAOYSA-N 388.445 2.695 0 40 GFAB COC(=O)c1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 58010999 RATZNTCDOVNJCV-HUUCEWRRSA-N 398.463 2.804 0 40 GFAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2cn3cccnc3n2)cn1 58162168 JDSVPKSEYSPZJH-UHFFFAOYSA-N 388.387 2.638 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 8638661 YJQYLDLMUIYRFU-GFCCVEGCSA-N 387.871 2.748 0 40 GFAB COc1cccc(/C=C(/C(=O)OCC(=O)N2CCOCC2)c2ccccc2)c1 3398309 VIEYANFPILHQKF-HMMYKYKNSA-N 381.428 2.638 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 12772851 LMGBTYHXSAGBAB-KRWDZBQOSA-N 376.478 2.569 0 40 GFAB Cc1ccc(C(=O)OCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)o1 12766249 ZNOGPBXTHFSZPI-UHFFFAOYSA-N 382.869 2.804 0 40 GFAB COc1ccc(-c2ccc(CCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)o2)cc1 48249525 IWZXZPHKTYHWHU-IBGZPJMESA-N 377.462 2.581 0 40 GFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1ccc(Br)cc1 12811621 RTJLMXQZXIHCQM-UHFFFAOYSA-N 394.313 2.722 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(F)c2F)cc1OC 3419352 QMXIZGSUMJLGLH-UHFFFAOYSA-N 375.368 2.942 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)CCc3ccccc3)C2=O)cc1 3461532 UGWQCVJMVJPRFC-HXOBKFHXSA-N 393.487 2.900 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1C 12920461 CKRDASPWKMYGSZ-MJGOQNOKSA-N 393.487 2.968 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 8422679 YQVYBIKGBWEXCQ-INIZCTEOSA-N 394.537 2.515 0 40 GFAB COC[C@H](C)n1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N(C)C 8428999 OJQZDNHPBYKKGM-STQMWFEESA-N 396.488 2.772 0 40 GFAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3cccs3)ccc21 13691388 GTPSUDILWUGSAH-OAHLLOKOSA-N 384.461 2.682 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(C(=O)O)cc1 5158298 KYGQIECXFZGJHA-SFHVURJKSA-N 390.399 2.966 0 40 GFAB Nn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccccc1Cl 5173226 XPBXEGDIRXJORJ-UHFFFAOYSA-N 390.881 2.903 0 40 GFAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(c2n[nH]c(=S)o2)CC1 65591320 VVMOGDJFSMTJLC-UHFFFAOYSA-N 395.506 2.934 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccccc2Cl)c(=O)c1=O 4569977 VPZHEIHCEIOVLN-UHFFFAOYSA-N 399.834 2.690 0 40 GFAB Cn1nc(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)ccc1=O 14226684 MCBOHGICLNOXLB-UHFFFAOYSA-N 380.473 2.963 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 8769075 KPGVINHTWHFGAA-IBGZPJMESA-N 390.443 2.684 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)CSc2ccc3c(c2)OCCO3)cc1 6800776 MKWBBCMXCHGIRI-UHFFFAOYSA-N 379.459 2.804 0 40 GFAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1ccncc1 4937625 ZDJWWYBYYRPBCS-UHFFFAOYSA-N 375.841 2.967 0 40 GFAB Cc1cc(C)n(Cc2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)cc2)n1 6922183 NFTPESYCODVBNX-SFHVURJKSA-N 398.360 2.969 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1ccc2c(c1)OCCO2 7987997 BLCBPYRLDVVYHL-HXUWFJFHSA-N 397.475 2.963 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)COc2ccc(F)cc2Cl)c1C 8010808 LFBQRTZVMYCTSE-UHFFFAOYSA-N 386.832 2.761 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSc2nnc3n2CCCCC3)n1 9336922 SPDUOXNTCWCQSB-UHFFFAOYSA-N 398.496 2.816 0 40 GFAB O=C(NCCc1c[nH]cn1)c1cn(-c2ccccc2F)c(=O)c2ccccc12 72400998 MKRJNFORBQGXFB-UHFFFAOYSA-N 376.391 2.825 0 40 GFAB CC(C)(C)NC(=O)CNC(=O)COc1ccc(C2SCCCS2)cc1 9918163 PZBCYQWAIYLSIB-UHFFFAOYSA-N 382.551 2.965 0 40 GFAB C[C@@H](C(=O)NCc1ccc(CN(C)C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 89478745 MEUDBDWRSKGECE-ZDUSSCGKSA-N 396.459 2.505 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 408597216 UEQGODOCHISIMA-HUUCEWRRSA-N 376.478 2.630 0 40 GFAB CCn1ccc([C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619320 PEDDMNGUTDAENV-NSHDSACASA-N 379.424 2.639 0 40 GFAB COC(=O)C[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 216598346 NFQOYGSKVUFULD-UGTOYMOASA-N 392.455 2.767 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4C)CC3)CC2=O)cc1 44670557 JHIDLDUTVIYZCQ-GOSISDBHSA-N 393.487 2.705 0 40 GFAB CCOC(=O)[C@H]1CC(=O)N(c2cc(C)c(I)c(C)c2)C1 45889686 KVQQUFOJYCJQSF-NSHDSACASA-N 387.217 2.824 0 40 GFAB CCCN1C(=S)N[C@@H](c2cc(OC)c3c(c2)OCO3)C(C(=O)OCC)=C1C 40039056 CSISAMZXKOUCJD-INIZCTEOSA-N 392.477 2.902 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2OC)cc1 224858060 GZOIMQIETPQXQI-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc21 225127990 SULODSQVZFXEMH-UHFFFAOYSA-N 376.453 2.646 0 40 GFAB COc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)nc(Cl)n2C 222551251 IPMMSODQVZYEBZ-UHFFFAOYSA-N 386.839 2.994 0 40 GFAB Cc1nn(C2CCCC2)c(N)c1[C@@]1(O)C(=O)Nc2ccc(Br)cc21 227173549 NDFKYZHHIQOAMX-QGZVFWFLSA-N 391.269 2.839 0 40 GFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3sc4c(=O)[nH]cnc4c3c2)C1 45796117 PBKPCUSRCPZMIY-GHMZBOCLSA-N 377.491 2.804 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1 226035596 MBDATPILGLNZDF-UHFFFAOYSA-N 376.478 2.596 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 77184840 LHQDMZNOKKCRTP-SFHVURJKSA-N 399.896 2.629 0 40 GFAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 222864510 NSAHOQNYLCRVGD-ZWKOTPCHSA-N 381.509 2.785 0 40 GFAB O=C(CCCc1nnc2ccc(Cl)nn12)NCCc1c[nH]c2ccccc12 96231568 LJNQTUWPZGGTNT-UHFFFAOYSA-N 382.855 2.941 0 40 GFAB COc1ccc(OC)c(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 145573599 CBQQJFLCFFTUEJ-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12 96269142 HVHYFWIJKIBQHK-QGZVFWFLSA-N 383.414 2.806 0 40 GFAB biogenic,in-vitro COCC(=O)N1CCC2(CC1)C[C@H](C(=O)Nc1cccnc1)c1ccccc12 96241648 IMBKXUPYDALHLH-SFHVURJKSA-N 379.460 2.714 0 40 GFAB COc1ncccc1CN1CC[C@@]2(C[C@@H](OCc3csc(C)n3)CO2)C1 96218474 BGLHLMKQWQPXGM-IEBWSBKVSA-N 375.494 2.805 0 40 GFAB C[C@H]1c2nc(CC(=O)N(C)C)cn2CCN1CCOc1ccc(Cl)cc1 247987695 KSYPKUGFCAWVAW-AWEZNQCLSA-N 376.888 2.623 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1ccccc1OC 257277134 NWONYBMCOOMELV-UTKZUKDTSA-N 396.491 2.618 0 40 GFAB Fc1ccc(OCCc2cc([C@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1F 257269488 MQFOQSRRRFKSKC-GOSISDBHSA-N 389.406 2.606 0 40 GFAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2NC1=O 257173485 OQVXEMMWGSCEGR-ZDUSSCGKSA-N 382.467 2.537 0 40 GFAB CC(C)C[C@@H](C(=O)O)[S@](=O)Cc1cc2c(cc1Br)OCCO2 584824304 URXYZLWYHVIUKV-RCDICMHDSA-N 391.283 2.968 0 40 GFAB C[C@H](Oc1ccc(CO)cc1)c1cn([C@H](C)C(=O)NCc2ccc(F)cc2)nn1 640887640 OCIVLZLFCDBZGL-CABCVRRESA-N 398.438 2.927 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2nccnc2C)cc1-c1ccccc1 1211989756 BIFVJVILSJWVHC-UHFFFAOYSA-N 383.473 2.982 0 40 GFAB CN(Cc1cccnc1)C[C@@H]1CC2(CCN(C(=O)c3ccc(O)cc3)CC2)CO1 585103411 GEYSRUSFIHHMBS-NRFANRHFSA-N 395.503 2.931 0 40 GFAB CC(C)C(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)c1 506298282 BLKSNAVYEYECGY-QGZVFWFLSA-N 395.415 2.723 0 40 GFAB CC/C(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)=C1/C=C[C](C)O1 1560408849 XWAOBWPSYUNYMG-UHFFFAOYSA-N 396.423 2.605 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc1 5257293 XJTOELWXEQIGMU-UHFFFAOYSA-N 383.477 2.631 0 40 GFAB COc1cccc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)c1 13126977 BRPXMAWIGYWFFY-IBGZPJMESA-N 375.432 2.892 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC3)cc2)cc1 13585174 OZJQYECAWJKLKK-UHFFFAOYSA-N 388.489 2.821 0 40 GFAB COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1OC(C)C 13676697 OEYWOGVTEJMSCF-UHFFFAOYSA-N 392.477 2.784 0 40 GFAB Cn1c(SCC(=O)NCc2ccco2)nc2c(-c3ccccc3)c[nH]c2c1=O 16841352 VWERMJQVZCREBQ-UHFFFAOYSA-N 394.456 2.930 0 40 GFAB Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1 19214781 OBNWEUNIRFREEL-QIDMFYOTSA-N 376.460 2.938 0 40 GFAB O=C(CC1CCCC1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576572 SOOFRMOVXLTDBY-VQTJNVASSA-N 375.509 2.923 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)CC[S@@]1=O 577235539 BQHQOUODCKDMNC-QDXKXIGTSA-N 395.912 2.677 0 40 GFAB CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc2c1=O 6094769 NYHAHNLLXJQALG-UHFFFAOYSA-N 395.440 2.722 0 40 GFAB COc1ccc(NC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)cc1 1888904060 GFSYBWRITHXAKU-HOTGVXAUSA-N 393.491 2.882 0 40 GFAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C)cc2)C(=O)N1 1889004812 XRZCNCODMIHPNS-BPAFIMBUSA-N 387.457 2.558 0 40 GFAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccc(C(N)=O)cc1 31165651 MBQMJUWNEGCDTN-OAHLLOKOSA-N 395.503 2.860 0 40 GFAB CC(C)n1nccc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985694 SMIBVFCAHGYLKT-JOCHJYFZSA-N 396.491 2.892 0 40 GFAB O=c1c2ncccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccncc1 9001663 MEVZWIWPGNTGGE-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)Cc3ccccc3F)cc2C1=O 9828226 VBXNWUGKOQXJMD-UHFFFAOYSA-N 378.425 2.622 0 40 GFAB CC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)nc1C 10218911 QCIMVAUIHSBVHR-UHFFFAOYSA-N 384.454 2.986 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc1C 10324830 CISYJRZWRRQGCR-UHFFFAOYSA-N 399.472 2.874 0 40 GFAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccc(F)cc1 11739183 KANFUZYHKUQGKX-UHFFFAOYSA-N 386.408 2.870 0 40 GFAB CCOc1ccccc1C(=O)NCCNC(=O)c1nc(-c2ccc(C)cc2)no1 12412426 XDPNFBAFSRILNA-UHFFFAOYSA-N 394.431 2.604 0 40 GFAB Cc1ccc(C(=O)N2CCCC3(CCN(C)CC3)[C@H]2CNC(=O)C(C)C)o1 2055793339 QOZRYIRHKLKJRR-GOSISDBHSA-N 375.513 2.677 0 40 GFAB Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)c(Br)c1)C1=C(COC1=O)N2 20086585 ZODIWGLLUCFBQI-AWEZNQCLSA-N 389.253 2.915 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)n2ccnc2)cc1S(=O)(=O)N1CCCCCC1 40145299 PKXBXXDNRGZGPI-MRXNPFEDSA-N 390.509 2.956 0 40 GFAB O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccc(F)cc4)CC3)CN12 20219123 GKLMISPVSOJYCB-INIZCTEOSA-N 379.439 2.624 0 40 GFAB CC1CCN(C(=O)CSc2nc(N)c3c4c(sc3n2)CN(C)CC4)CC1 20437238 NNIQTMXXUDKITB-UHFFFAOYSA-N 391.566 2.612 0 40 GFAB C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[C@@H](O)COCc2cccs2)C1=O 51381371 XCSKAPUHYDWYSY-RDTXWAMCSA-N 394.880 2.746 0 40 GFAB CC(C)Oc1ccc(-c2noc(C(=O)N[C@H](CO)Cc3ccccc3)n2)cc1 20734409 YWBVSQDLAQNTIO-KRWDZBQOSA-N 381.432 2.857 0 40 GFAB NC(=O)CCN(Cc1ccccc1)C(=O)COc1ccccc1C(F)(F)F 11722792 LOAZPTJPCSUEJX-UHFFFAOYSA-N 380.366 2.988 0 40 GFAB COc1cccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)c1 4107806 XRNQIULOBICLKS-JTQLQIEISA-N 377.491 2.556 0 40 GFAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 4144363 RUVFDGOFCYCCJZ-RKVPGOIHSA-N 394.349 2.799 0 40 GFAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 6678751 OIDQOKACYRMQKJ-UHFFFAOYSA-N 395.440 2.813 0 40 GFAB O=C(Cn1c(=O)[nH]c2ccccc21)Nc1ccc(Cl)cc1C(=O)N1CCCC1 102356288 NZMRBOIXLJTKSH-UHFFFAOYSA-N 398.850 2.858 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10365594 GVWCYPGSTOGXEE-MRXNPFEDSA-N 390.505 2.726 0 40 GFAB CN(CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1nc2ccccc2s1 32836222 QBOMZDLVENRBIA-CQSZACIVSA-N 383.473 2.684 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc2ccccc2cc1O 21634098 ANEUBDJWGCQDCS-UHFFFAOYSA-N 384.457 2.726 0 40 GFAB Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)coc2c1 32990931 MRUNEPCHNZEUFD-UHFFFAOYSA-N 398.484 2.817 0 40 GFAB CCn1c(=O)n(CCC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 25424454 QJBQDPXPMOBESU-UHFFFAOYSA-N 397.475 2.589 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCc2ccccc2C)S(=O)(=O)N(C)C)c1 20244679 GDCUDOLULXFZIS-UHFFFAOYSA-N 389.521 2.541 0 40 GFAB Cc1cn2nc(N(C)C[C@@H](O)COc3ccc(C(F)(F)F)cc3)sc2n1 53575894 PKLJSRALCCMRCZ-GFCCVEGCSA-N 386.399 2.994 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 8220351 CHVPVUZOPNDXGR-NSHDSACASA-N 398.868 2.663 0 40 GFAB CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 53670846 RZHRKEMFCVXPCJ-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)n2c1nc1ccccc12 23382042 MXFNMGGTLKSSTK-GOSISDBHSA-N 394.431 2.608 0 40 GFAB CC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2 3024612 TWFHACFXONLAGI-OXQOHEQNSA-N 378.384 2.844 0 40 GFAB CCOc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC 100149966 WSFZGMSLSWGTDR-ROUUACIJSA-N 385.508 2.947 0 40 GFAB O=C(c1ccco1)N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 25228863 VSVZGQOYNHBOQO-SFHVURJKSA-N 380.444 2.631 0 40 GFAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCCCC2=O)cc1 27817973 IWLTXGJAWGDCPI-UHFFFAOYSA-N 392.411 2.657 0 40 GFAB CC(C)(C)c1n[nH]cc1CNCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 108420968 OQAZZXOWHMBMHG-SFHVURJKSA-N 383.540 2.694 0 40 GFAB C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@H](C)c1nnc2n1CCCC2 108502543 MPJJUHGQDOUXGF-BZUAXINKSA-N 393.532 2.680 0 40 GFAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(-n2cnnn2)c1 8340719 XVUIGCAZDQQKQP-UHFFFAOYSA-N 386.415 2.526 0 40 GFAB COCCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2198554 WMFQGUBIGXNWCO-UHFFFAOYSA-N 375.432 2.841 0 40 GFAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1CN1C(=O)CNC1=O 10643087 YQGSQEGHWYANSQ-INIZCTEOSA-N 381.457 2.705 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)C1=O 45249334 CTQCXDCKZADYBM-IBGZPJMESA-N 394.475 2.530 0 40 GFAB COc1ccc2c(CC(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)coc2c1 10721141 GJGDKGBOWQQGFJ-UHFFFAOYSA-N 383.429 2.941 0 40 GFAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1Br 12797006 ZVSWIWAQKYYJQO-GFCCVEGCSA-N 388.265 2.980 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1c2c(nn1-c1ccccc1)CCC2 48374950 HEKYNEKNJOEYHQ-UHFFFAOYSA-N 385.427 2.710 0 40 GFAB Nc1nnc(SC(Sc2nnc(N)s2)C(=O)c2ccccc2)s1 8424936 VZRJJXBHSLHGQL-UHFFFAOYSA-N 382.521 2.647 0 40 GFAB O=S(=O)(/N=C(\O)Cn1ccc(C(F)(F)F)n1)c1cccc2cnccc12 69594414 PDQLPNSIVZNUDK-UHFFFAOYSA-N 384.339 2.796 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 408559517 MGZKIUNFLIPKPU-OAHLLOKOSA-N 398.484 2.832 0 40 GFAB CC(C)OCCCNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1 4690345 OIMXVSZGPHQCIN-UHFFFAOYSA-N 376.375 2.592 0 40 GFAB CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(OC)cc2)CC1 4659341 CDOJSYZOSIDEBZ-UHFFFAOYSA-N 396.451 2.857 0 40 GFAB CCOC(=O)c1sc(NC(=O)COC(=O)C2CCC2)c(C(=O)OCC)c1C 5507398 OLNWPGXHQJNARO-UHFFFAOYSA-N 397.449 2.692 0 40 GFAB Nc1nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n[nH]1 6605916 KWKWYMJBJPJBOO-SNVBAGLBSA-N 390.519 2.980 0 40 GFAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccccc3OC)c(C)nc21 6661243 SJFACSFZLPLNGN-UHFFFAOYSA-N 390.490 2.965 0 40 GFAB Nc1c(C(=O)Nc2nc3ccccc3s2)sc2[nH]c(=O)c(C(=O)O)cc12 4789491 LQZBYIAFIUNMIF-UHFFFAOYSA-N 386.414 2.732 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCC1=CCCCC1 4704309 BSTJPTUDQPPDHJ-IBGZPJMESA-N 386.492 2.674 0 40 GFAB Cc1sc(NC(=O)CN2C(=O)NC(C)(C)C2=O)nc1-c1ccc(F)c(F)c1 6880238 DIMNLLMZFCRXMV-UHFFFAOYSA-N 394.403 2.666 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 15099231 QRPJDTGRSFPXTF-UHFFFAOYSA-N 388.367 2.788 0 40 GFAB COc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 4943653 FIUUNOROZFHBAZ-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ncn3n2)cc1 67208784 PIAAABCLKGYREW-UHFFFAOYSA-N 391.406 2.898 0 40 GFAB CSc1cccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1 67320329 CMWYKNLAIAEMKK-UHFFFAOYSA-N 399.447 2.807 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@@H](c2cc(Br)c3c(c2)OCO3)N1 7127109 QDSAKIMVDQPAEM-AWEZNQCLSA-N 386.209 2.624 0 40 GFAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1C 7423737 CQMWPCQAASCKAW-UHFFFAOYSA-N 394.518 2.583 0 40 GFAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(Cl)s1 7677749 IIMVULKOABPTPU-UHFFFAOYSA-N 387.839 2.866 0 40 GFAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 7656944 YAVYQODPBDFWRQ-UHFFFAOYSA-N 387.823 2.724 0 40 GFAB O[C@@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc12 19372180 MXQRCYFAJZRXRA-FQEVSTJZSA-N 379.460 2.748 0 40 GFAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3)C[C@H]1C2 306123746 AVNCADMABUBCKL-UXHICEINSA-N 387.487 2.512 0 40 GFAB CC(=O)OCCCc1cccc(NC(=O)CCN2C(=O)COc3ccccc32)c1 96012051 NEHHITMKEQGGPL-UHFFFAOYSA-N 396.443 2.937 0 40 GFAB O=C1CCCCCN1CCCNS(=O)(=O)c1ccc(Br)cc1 71822442 QDWMTUAJBSXWFG-UHFFFAOYSA-N 389.315 2.520 0 40 GFAB COc1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1OC(F)F 83855551 NZNCOCBHRPZWJQ-BXUZGUMPSA-N 392.424 2.726 0 40 GFAB O=C(CCCSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc(F)cc1 21623584 JPUHGTFIQCSZMM-LBPRGKRZSA-N 398.481 2.941 0 40 GFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1cc(N)ccc1F 72309076 IAULSHZSOALDLG-ZDUSSCGKSA-N 393.484 2.833 0 40 GFAB COc1ccc(OCCN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 84651619 RSFZOXQWMWVHLY-HNNXBMFYSA-N 378.494 2.675 0 40 GFAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)N[C@@H]1CC(=O)N(C2CC2)C1 95446347 GTSQQCUZNOMIFS-GFCCVEGCSA-N 386.839 2.784 0 40 GFAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCn3c(n[nH]c3=O)C2)cc1Cl 95941540 AOZQSANFIVPKMI-SFHVURJKSA-N 397.866 2.729 0 40 GFAB COc1ccc(Cc2noc(C3CCN(Cc4nccn4C)CC3)n2)cc1OC 95959381 RUZRNZDBSWUCLU-UHFFFAOYSA-N 397.479 2.791 0 40 GFAB CCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 79101341 BLQNQYKUFYERBT-KRWDZBQOSA-N 381.480 2.869 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC[C@H]2CCCO2)cc1 409331697 OKLBLAVMYAURHG-MRXNPFEDSA-N 388.489 2.729 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccccc1Cl 408554830 USJCDLGAEDNFKY-ZDUSSCGKSA-N 396.896 2.640 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 38828360 MWPCNQOYOXXVBU-NFAWXSAZSA-N 395.463 2.602 0 40 GFAB Cc1cc(-c2noc(C3CCC4(CC3)NC(=O)NC4=O)n2)nc2ccccc12 514908612 XFXLAHWWTIDTFV-UHFFFAOYSA-N 377.404 2.829 0 40 GFAB COCCC(=O)N1CCc2nc(-c3ccccc3)nc(OCC3CC3)c2CC1 306136194 PMIGUVDSRMAPQO-UHFFFAOYSA-N 381.476 2.896 0 40 GFAB Cn1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 306134685 NVGFYAKTARBLJB-QGZVFWFLSA-N 387.447 2.545 0 40 GFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)CC1 78404067 RXDQBHRDWOYUGY-OAHLLOKOSA-N 387.505 2.563 0 40 GFAB CC(C)n1c(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)nc2ccccc21 72335555 WUKZYFGGWBWKCI-UHFFFAOYSA-N 392.507 2.859 0 40 GFAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)NC1CCCCC1 49399319 YSAZYYFWUCKMNB-UHFFFAOYSA-N 385.855 2.660 0 40 GFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c(C)c1 40072078 SPACKRAZUPVTAS-UHFFFAOYSA-N 393.553 2.571 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222663428 SRZVNNBCTBJRCU-AWEZNQCLSA-N 394.468 2.944 0 40 GFAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223167613 FCCXBLSRWNGKAX-RBUKOAKNSA-N 386.521 2.678 0 40 GFAB Cc1noc(C)c1CN1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244214 IIHJBTYHCOJUTN-OAQYLSRUSA-N 395.463 2.960 0 40 GFAB CCOC(=O)c1cnc([S@@](C)=O)nc1NCc1ccc(OC)c(Cl)c1 95830666 HPWWGZRNBFATPZ-VWLOTQADSA-N 383.857 2.665 0 40 GFAB COc1ccc(CN(C)[C@H]2[C@H](N)C[C@@H](Oc3ccc(F)c(Cl)c3)[C@@H]2O)cc1 257329482 XKDUCLQVIXDSCH-ZRNYENFQSA-N 394.874 2.828 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 260798206 QJKKTQQKSHIDJO-APWZRJJASA-N 390.505 2.511 0 40 GFAB CCOC(=O)C[C@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 601014406 KXLJGKYIXGTVID-INIZCTEOSA-N 376.453 2.588 0 40 GFAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCC[C@](C)(c2ccccc2)C1 603483019 YNEPMAVLWYDOTI-IBGZPJMESA-N 376.478 2.738 0 40 GFAB Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cncc4ccccc34)C2)cc1 635382695 VGKUNVYYYVLTLV-IBGZPJMESA-N 388.471 2.872 0 40 GFAB C[C@H](C(=O)N1CCOC2(CCN(C)CC2)C1)N1CCC(Cc2ccccc2)CC1 649132743 MJSBRUHZJXNELI-HXUWFJFHSA-N 399.579 2.653 0 40 GFAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1nnn([C@H]2CCNC2)c1C 662792544 WBEFKIYUPLUBHM-FQEVSTJZSA-N 390.491 2.667 0 40 GFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)NCc3cccs3)CC2)cc1 96376430 DPHUENVOSWXZHJ-UHFFFAOYSA-N 394.518 2.905 0 40 GFAB O=C(N[C@H]1c2nccn2CCC12CCN(C(=O)c1cccc(F)c1)CC2)C1CC1 585091871 PBIGZMDWZGZTHB-SFHVURJKSA-N 396.466 2.916 0 40 GFAB CCOC(=O)N1CCC(N2CCC(O)(COc3ccc(F)cc3)CC2)CC1 585281361 IOVQJWIVDUXJOF-UHFFFAOYSA-N 380.460 2.652 0 40 GFAB Cc1cccnc1CCNC(=O)N1CC(O)(c2cccc(Br)c2)C1 856911999 VULBAFFLNOCKNF-UHFFFAOYSA-N 390.281 2.608 0 40 GFAB CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 96374524 WTGRQKROWJOMRJ-UHFFFAOYSA-N 376.522 2.783 0 40 GFAB COc1cccc(/C=C/C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c1 5259630 YFDOCRXGGDUXFW-ZHACJKMWSA-N 377.404 2.963 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(OC(F)F)cc1 11229492 BHQTYKTZTDSCOD-UHFFFAOYSA-N 382.388 2.981 0 40 GFAB Cn1ncc2c1CCc1sc(N(C[C@@H]3CCCO3)C(=O)c3ccccn3)nc1-2 12146110 ZZMNLNGNCGLNCP-ZDUSSCGKSA-N 395.488 2.863 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)CCCn3nc(C)cc3C)cc2n1 12276503 ARNCHXICSKDMRS-SFHVURJKSA-N 396.495 2.955 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)CCc2ccc3c(c2)C[C@H](C)O3)CC1 19287857 QHVWDIVFJMMWKE-INIZCTEOSA-N 383.492 2.501 0 40 GFAB NC1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CC2(CCC2)C1 662737731 BHKYCADAMYGSCC-UHFFFAOYSA-N 391.943 2.961 0 40 GFAB Cn1nc2c(c1CN1C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C1)CCCC2 1888873362 PHGCKPUAIPWHKF-CALCHBBNSA-N 394.567 2.955 0 40 GFAB Cc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)ccc1NS(C)(=O)=O 26029514 RSSCGGDYXMECTF-YVEFUNNKSA-N 376.434 2.534 0 40 GFAB Cc1ccccc1-n1c(=O)cc(N2CCN(c3ccccc3Cl)CC2)[nH]c1=O 4033684 NMOZALNSQPIIRR-UHFFFAOYSA-N 396.878 2.814 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153591 SCWUEAOBEBJHOC-UHFFFAOYSA-N 392.864 2.985 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC 5252339 QOTNYHQSKCUKMX-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB COc1ccc(OC)c(-c2ccc(SCC(=O)NC[C@@H]3CCCO3)nn2)c1 5411454 VBGPQJGBWGSTON-AWEZNQCLSA-N 389.477 2.548 0 40 GFAB O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Nc1c(F)cccc1F 9065572 FIOFQUWMDBFBNZ-LLVKDONJSA-N 389.358 2.868 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)c(C)c1 16047568 BBEDGHSKXFOGCO-UHFFFAOYSA-N 379.464 2.648 0 40 GFAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(OC)cc2)c1=O 17317001 ZOTZDOGBDDEYSB-UHFFFAOYSA-N 395.463 2.564 0 40 GFAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2)s1)NCc1ccco1 35586481 HURCRUIEEBMMSU-UHFFFAOYSA-N 392.437 2.931 0 40 GFAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)c(C)c1 49008169 UBICHKDDUNUDRE-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](n2cnc3ccccc32)C1 575617298 NLVQIHHEYCMGIU-INIZCTEOSA-N 387.443 2.610 0 40 GFAB C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](O)COc1ccccc1 40089111 SQWRISLHFDVJCU-ZFWWWQNUSA-N 394.265 2.773 0 40 GFAB CCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Cl)c1 20068925 YVMXAEFUDJOHLV-KGLIPLIRSA-N 381.889 2.534 0 40 GFAB CN(Cc1cccs1)C(=O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 40120343 JVOMFBASOKLJRT-FQEVSTJZSA-N 397.544 2.756 0 40 GFAB CCn1c(CSc2ncccn2)nnc1SCC(=O)N1CCC(C)CC1 1325584 GIWRZHGLTRSHCT-UHFFFAOYSA-N 392.554 2.731 0 40 GFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 3230762 WCVGEBFPYQHDOS-UHFFFAOYSA-N 392.502 2.941 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4553910 YVPPPSSLWAFOTN-WVMBZCLNSA-N 383.444 2.994 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)CC(F)(F)F)cc1 32718995 VPGLGBNVPRYDQF-UHFFFAOYSA-N 376.356 2.991 0 40 GFAB O=C(COc1cccc([C@@H]2CC(=O)Nc3ncnn32)c1)Nc1ccc(Cl)cc1 6321658 DRTWEUONTHQHOG-INIZCTEOSA-N 397.822 2.881 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 6650269 NHDGUEUOWKXNRS-MDWZMJQESA-N 380.378 2.680 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1c2ccccc2CC[C@@H]1C 32856186 ZNNYEHLCMZOZFQ-MGPUTAFESA-N 398.459 2.945 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 32810304 GUPOUGPSJGMQAF-HNNXBMFYSA-N 397.313 2.785 0 40 GFAB COc1ccc(-c2csc(C3=C(O)CN(C[C@H](C)O)C3=N)n2)cc1OC 102718644 RHXVCKIPYYWAQO-JTQLQIEISA-N 375.450 2.770 0 40 GFAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 11917651 WPCJMWGYQFYKKA-UHFFFAOYSA-N 390.646 2.548 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 23053954 JYQCSQFTYWAXDF-AWEZNQCLSA-N 390.461 2.564 0 40 GFAB COCCNC(=S)N1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(C)cc1)C2 100426806 RTPFQESCONKTHP-QZTJIDSGSA-N 375.538 2.631 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 23603555 ZWELFQOGNLZLDQ-AWEZNQCLSA-N 388.489 2.678 0 40 GFAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCC[C@@H]1C(=O)Nc2ccccc21 23628528 GWSPUYBSGJICQC-WBVHZDCISA-N 377.444 2.820 0 40 GFAB CCOC(=O)c1cccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c1 42783178 LLNQBJGVMJASDM-GJZGRUSLSA-N 379.409 2.705 0 40 GFAB CCCn1nc(C(=O)N2CCc3cc(C(=O)OC)ccc32)c2ccccc2c1=O 25179973 BSXDTAQXKGJILR-UHFFFAOYSA-N 391.427 2.796 0 40 GFAB CCOc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1OC 100149903 OAAVBCNEPSPULD-ROUUACIJSA-N 385.508 2.947 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 2746872 ASVQHKUWAFHWAH-UHFFFAOYSA-N 393.896 2.809 0 40 GFAB C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)cn2)CCO1 46720628 ALFWHLGWCMVCGG-CQSZACIVSA-N 395.438 2.766 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)NCc1ccc(F)cc1 24830440 OVZUBDOKRDLNNG-QFIPXVFZSA-N 395.434 2.829 0 40 GFAB NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccccn1 55355828 FRVFPJQVOSVZSJ-UHFFFAOYSA-N 375.428 2.788 0 40 GFAB Cc1cccc(N2CCN(CCNC(=O)[C@@H](C)OCc3ccccc3)CC2)c1 25015785 IISZYCMVCJVVCY-HXUWFJFHSA-N 381.520 2.839 0 40 GFAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 25332424 PPZPPJUFNVYPOY-KRWDZBQOSA-N 375.494 2.612 0 40 GFAB CC(C)c1ccc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1 57771714 QDMHZTUNUUJVKB-UHFFFAOYSA-N 379.416 2.999 0 40 GFAB Cc1ccc(Cl)c(NC(=O)CN2CCN(c3ncccn3)CC2)c1Cl 58121808 VRBFHAPOOZVBCH-UHFFFAOYSA-N 380.279 2.853 0 40 GFAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1 58264396 LWXKKKJBBHUTTE-TZMCWYRMSA-N 379.888 2.921 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(Br)cc2O)cc1 58224836 UCBGKPABCDSLIM-UHFFFAOYSA-N 377.238 2.787 0 40 GFAB Cc1c(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2c(C)c(O)ccc12 2101586 ZGWLUQXBQKFZEQ-GOSISDBHSA-N 381.384 2.600 0 40 GFAB biogenic CCN(C(=O)[C@H](C)Nc1ccc2c3c(cccc13)CC2)[C@@H]1CCS(=O)(=O)C1 12563366 OUSGVOISFHVLSQ-WMLDXEAASA-N 386.517 2.774 0 40 GFAB O=C(OCC(=O)N1CCOCC1)c1cc(-c2cccs2)nc2ccccc12 3229902 VKEAYCJMSPKUSR-UHFFFAOYSA-N 382.441 2.979 0 40 GFAB CC(C)NC(=O)COc1coc(CN2CCC(Cc3ccccc3)CC2)cc1=O 36359632 JVPSQYTVWZOZDY-UHFFFAOYSA-N 398.503 2.998 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1C 10833694 SMYQMGXRYKCICO-KRWDZBQOSA-N 376.478 2.524 0 40 GFAB NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 12686057 NMZADNNLVZAEQK-UHFFFAOYSA-N 386.395 2.772 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 408588636 CBOCYGBRRLUOIH-CXUHLZMHSA-N 386.791 2.896 0 40 GFAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1=O 12754860 QBMFVLDKCRMHHG-KRWDZBQOSA-N 394.403 2.747 0 40 GFAB Cn1nc(CC(=O)OCc2coc(-c3cccs3)n2)c2ccccc2c1=O 12805095 CVWKGTMTZNZSFJ-UHFFFAOYSA-N 381.413 2.936 0 40 GFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)C2CC2)s1 12824313 RRYRABWQOHLSDE-KRWDZBQOSA-N 399.516 2.900 0 40 GFAB COc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc(OC)c1OC 3544608 DLHYQEOQGNETNR-ZDUSSCGKSA-N 385.416 2.847 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 13312262 NKSBZGWDKOZPDC-UHFFFAOYSA-N 388.489 2.849 0 40 GFAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CCCO)c1ccccc1 89740988 VDXAPIYOQQVROA-WOJBJXKFSA-N 397.454 2.534 0 40 GFAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)C)nnc12 4500844 NIECKRMDQNNNMP-UHFFFAOYSA-N 387.509 2.709 0 40 GFAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCc3sccc3C2)C1=O 14310168 IJCRZSBIZWRAGE-GOSISDBHSA-N 377.416 2.809 0 40 GFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccccc2)CC1 4749080 OMXRXGBALYBIIC-UHFFFAOYSA-N 397.475 2.633 0 40 GFAB COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nn[nH]n2)c1 5681738 QFJWGEGBVMJBEE-MRXNPFEDSA-N 381.436 2.799 0 40 GFAB COc1ccc(CC(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)cc1OC 5666139 IOADDOUQTDNWHZ-OAHLLOKOSA-N 383.444 2.763 0 40 GFAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc(OC)c1O 6727371 KYEKZMZNSTYOPG-MRXNPFEDSA-N 375.450 2.888 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c1C 6844184 BWRQPRVRUPPAPM-UHFFFAOYSA-N 385.464 2.870 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cc(F)c(F)c(F)c1 71279511 XAYSCYZEYDPPID-UHFFFAOYSA-N 392.381 2.574 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)cc1 15268557 QFNBUCXNXGDBKS-UHFFFAOYSA-N 390.237 2.776 0 40 GFAB NC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 15502224 CWWOHOFUPSVBKJ-HXUWFJFHSA-N 377.400 2.910 0 40 GFAB Cn1c(=O)c2ccccc2n2c(COc3ccc(Br)cc3)nnc12 15551349 JDHLTMADNGXTCJ-UHFFFAOYSA-N 385.221 2.923 0 40 GFAB CCN(C(C)=O)c1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cs1 69252212 KFNWZZPBLMOMRZ-ZDUSSCGKSA-N 382.530 2.957 0 40 GFAB CC(C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 9420134 UZHHVLPPXNCQOJ-INIZCTEOSA-N 390.871 2.589 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)c2ccccc2O1 9685317 GVGPIRGJHVJURR-INIZCTEOSA-N 394.349 2.624 0 40 GFAB O=S(=O)(CCN1CCC(n2cncn2)CC1)c1cc(Cl)ccc1Cl 84343855 LEDJNNACYKWBQQ-UHFFFAOYSA-N 389.308 2.696 0 40 GFAB O=S(=O)(NCCN1CCc2ccccc2C1)c1c(Cl)ccnc1Cl 95452580 XINIGWQAIKHRRA-UHFFFAOYSA-N 386.304 2.725 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2nc3c(s2)CCCC3)n1 56901020 NWPVAKWUGFVMKD-UHFFFAOYSA-N 396.472 2.893 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCCn1ccc2c(Cl)cccc21 61721637 YFQAKTAGEIAAFK-UHFFFAOYSA-N 380.835 2.821 0 40 GFAB CCOc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1I 409229013 ILFSFNZZFHZFJS-DHZHZOJOSA-N 386.189 2.603 0 40 GFAB CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC 408529418 HWGRHGWWCFUBKF-UHFFFAOYSA-N 396.896 2.988 0 40 GFAB COC(=O)c1c(NC(=O)c2ccccc2NS(C)(=O)=O)sc2c1CCC2 408609560 PDFHBQHIIAFQQU-UHFFFAOYSA-N 394.474 2.647 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 120799501 JDWBBUDHWOFNDO-UHFFFAOYSA-N 394.518 2.881 0 40 GFAB O=C(Nc1ccccc1)c1ccc(N2CCN(Cc3cscn3)CC2)nn1 523112992 RNBOPHHEYNDEDG-UHFFFAOYSA-N 380.477 2.508 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(OC)c3)n2)cc1 219307771 MTASGWUYQPFSSY-CYBMUJFWSA-N 383.404 2.838 0 40 GFAB Cc1nc2n(c(=O)c1C)CN(CCCO)CN2c1cccc(C(F)(F)F)c1 38830011 PGJJOFAYUSDEMO-UHFFFAOYSA-N 382.386 2.630 0 40 GFAB COc1ccc(CCC(=O)NCc2ccc(OC)c(OC)c2OC)cc1OC 30755421 HDSZYRHXRZCAFN-UHFFFAOYSA-N 389.448 2.979 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)N1CCOCC1 32691238 TUWFTTVPVDLWNP-UHFFFAOYSA-N 387.509 2.796 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccn1 71335639 HRYLJQRXAXVNFF-CQSZACIVSA-N 387.871 2.594 0 40 GFAB O=C(c1cc(C2CCCCC2)no1)N1CCc2nnc([C@@H]3CCCCN3)n2CC1 72372824 DFMGZHRPWBDVQL-INIZCTEOSA-N 398.511 2.827 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)s1 223332818 GKQDYQYTOITGDY-LBPRGKRZSA-N 398.510 2.633 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC[C@H]2CCCO2)cc1 223643742 KRTSZWBXWDPOJW-UWCCDQBKSA-N 386.473 2.823 0 40 GFAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 222540490 RXTFBBYSOLUFLP-MRXNPFEDSA-N 388.489 2.759 0 40 GFAB COc1ccc(C(=O)NC(C)C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224754677 CDYWAICSYLEPIO-UHFFFAOYSA-N 394.468 2.939 0 40 GFAB CSc1ncccc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220872700 YJFGQQRLNLBXGV-ZDUSSCGKSA-N 396.476 2.738 0 40 GFAB CC(C)Sc1nnc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)s1 225676793 KSCCSJDQNDBSET-UHFFFAOYSA-N 386.524 2.687 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccc(Cl)s1 225712162 ZWGWMBAYXUJKDA-INIZCTEOSA-N 387.910 2.913 0 40 GFAB CN(C)C(=O)n1c(C(=O)NCc2cccnc2)cc2c1c1ccccc1n2C 96146297 BMWLHTBQLAMYDK-UHFFFAOYSA-N 375.432 2.988 0 40 GFAB O=S(=O)(Cc1ccccc1)NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 96112867 DGLXSTYFGBUQDP-SFHVURJKSA-N 383.473 2.569 0 40 GFAB biogenic,in-vitro CN1CCN(C(=O)Cc2nsc3ccccc23)C[C@@H]1c1nc(C2CC2)no1 576979681 KWEYRCHYIVXFRS-OAHLLOKOSA-N 383.477 2.615 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)O1 96087283 YCLXFEIMLAIMQR-LJQANCHMSA-N 397.450 2.942 0 40 GFAB COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccco1)CC2 96061363 VIHCCJILYSGSAT-GOSISDBHSA-N 382.460 2.917 0 40 GFAB COc1ccc(-c2nc(N3CCN(C)CC3)sc2CC(=O)O)cc1Cl 95097185 ZVZQDTDNMKALQB-UHFFFAOYSA-N 381.885 2.851 0 40 GFAB CC(=O)NCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1596709519 KBMBPRDDJHPTMY-ZYSHUDEJSA-N 382.512 2.881 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 257231861 GILGIGGPIDDBCF-FQEVSTJZSA-N 378.480 2.517 0 40 GFAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)n1 257254454 KDCPNHDQIHTDNR-SFHVURJKSA-N 381.436 2.540 0 40 GFAB CCc1nnsc1C(=O)N(C)Cc1cc([C@H]2CC[C@H](CNC)CC2)nn1C 257326894 WZARPIZDCIGLMP-HDJSIYSDSA-N 390.557 2.599 0 40 GFAB C[C@@H]1[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CO2)CC(=O)N1Cc1ccccc1 623994764 CKQXEBOLFNUYJU-CZAAIQMYSA-N 393.487 2.617 0 40 GFAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)C1 624144389 PNQAQQBDPWEMRR-BHIYHBOVSA-N 393.553 2.541 0 40 GFAB C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC[C@@H](C)O1 663646564 FVUGNEVJWDHLRO-PMPSAXMXSA-N 389.496 2.614 0 40 GFAB COc1ccccc1-c1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)CC2 585111215 JMUQWVVRKQHSMU-UHFFFAOYSA-N 391.427 2.986 0 40 GFAB CC(C)C(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12119462 MMCIRUXFCCRAQJ-SFHVURJKSA-N 395.507 2.737 0 40 GFAB COc1ccc2c(c1)[C@H]1NC(=S)N[C@@](C)(O2)[C@H]1C(=O)Nc1ccccc1C 13470581 OMEBMIFLGJRKPD-HLIPFELVSA-N 383.473 2.886 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cc1C 13580948 KJMFVAQZMYTJBO-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB COc1cccc(C(=O)NCc2ccc(-c3n[nH]cc3C(=O)N(C)C)cc2)c1 19581425 JCLKZDYKVVFHAC-UHFFFAOYSA-N 378.432 2.717 0 40 GFAB Cc1nccn1C[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 19658009 UECZSHHQJNQWLE-KRWDZBQOSA-N 380.496 2.737 0 40 GFAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(C(=O)c1oc3ccccc3c1C)C2 19705523 MZFSIFMIQQWJLQ-INIZCTEOSA-N 393.447 2.672 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCc3ccc(N(C)C)cc3)C2)c1 19750326 IEWJXBRKLNAJPH-LJQANCHMSA-N 395.503 2.582 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc(C(=O)OC)c1 100758257 VFSJTKVAJKMBHW-NHCUHLMSSA-N 387.432 2.984 0 40 GFAB O=C(c1ccccc1F)N1CCC2(CCCCCn3cc(nn3)CNC2=O)CC1 643565402 YRCVAIJPOYKLBV-UHFFFAOYSA-N 399.470 2.530 0 40 GFAB CCOc1cccc2sc(N3CCO[C@@H](C(=O)N4CCCCC4)C3)nc12 1888866284 QWBIUYNBZIZBHE-OAHLLOKOSA-N 375.494 2.913 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(c5cc(C(F)(F)F)ncn5)C[C@@H]4C3)n1)CCC2 1888869814 FSSCGTXNACWQOO-BETUJISGSA-N 390.413 2.655 0 40 GFAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC4CCOCC4)[C@@H](C)C[C@H]32)cc1 1775964454 XCHDFHVMOXIPAC-FBEWHJACSA-N 386.536 2.879 0 40 GFAB biogenic,in-vitro O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCN([C@H]2CCSC2)CC1 1565522200 DFSLMWKTXYVGHF-AWEZNQCLSA-N 394.484 2.907 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(C)=O)c2)n1N 3283659 OBHDFXUGSSDSQJ-UHFFFAOYSA-N 397.460 2.601 0 40 GFAB CCc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)cc1 4338250 VUPDFUJELHPXKU-UHFFFAOYSA-N 377.379 2.576 0 40 GFAB Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)C)nn3c2=O)c(Cl)c1 16844564 XORQJYUNRQDTMQ-UHFFFAOYSA-N 391.884 2.992 0 40 GFAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)nc2)cc1 16841422 QYKHDTQELRFCDC-UHFFFAOYSA-N 382.441 2.853 0 40 GFAB biogenic O=C(C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1ccccc1)Nc1ccccc1 18087953 UYBOJUITDWIHJH-IYBDPMFKSA-N 386.473 2.705 0 40 GFAB Cn1nc(-c2ccncc2)cc1CNC(=O)COc1cccc2c1OC(C)(C)C2 1775966114 QCLAXVNUEDJFBA-UHFFFAOYSA-N 392.459 2.891 0 40 GFAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccc(F)c(F)c1F 225772352 RILQCPVFMRHMKK-UHFFFAOYSA-N 398.768 2.908 0 40 GFAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccsc2)o1 49029168 ZAJVTQZYNZQPML-UHFFFAOYSA-N 377.447 2.991 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255519 SBXUBYHPPRSNFU-OAHLLOKOSA-N 387.436 2.919 0 40 GFAB O=C(CCc1ccccc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147207 ZGRAZLPLWBSJIW-OAHLLOKOSA-N 376.254 2.852 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)C1 40071740 RJCXBRUVVHQICV-INIZCTEOSA-N 394.537 2.836 0 40 GFAB Cc1csc(=O)n1CCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 40145503 XUECDWYJPPAZOG-KBPBESRZSA-N 393.484 3.000 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 45673228 BXMOYGWOMCUKNK-LJQANCHMSA-N 375.432 2.786 0 40 GFAB CC(C)n1c2ccccc2n2c(=O)c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12 1332666 DNTWMYOIBMPZLZ-UHFFFAOYSA-N 396.834 2.928 0 40 GFAB O=C(COC(=O)c1nsc(Cl)c1Cl)NCc1ccc2c(c1)OCO2 1381370 JWDUFBDKMHNRLN-UHFFFAOYSA-N 389.216 2.652 0 40 GFAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2c(C(=O)O)cnn2C)cc1 20615327 LJIUAWVOEGNGFS-UHFFFAOYSA-N 393.325 2.884 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)OCCO3)c1C 3278892 LWJPHAOSXQWHJG-UHFFFAOYSA-N 387.388 2.619 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Br)s1 8561621 NEBHXORHJDORQG-UHFFFAOYSA-N 397.283 2.612 0 40 GFAB COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)CC2)cc1 4543859 YSUCNGMRMPFCKW-GUMKIRRESA-N 394.471 3.000 0 40 GFAB CC(=O)Nc1ccc(OC[C@@H](O)CSc2nncn2-c2ccccc2)cc1 32322962 KWFCBWGIGZNTCZ-QGZVFWFLSA-N 384.461 2.758 0 40 GFAB CCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 6417516 JIWHQNJXGUJFKM-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c(OC)c1 7667566 IGGBWYXEVTUGHU-GFCCVEGCSA-N 390.461 2.667 0 40 GFAB CC(C)(C)C(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 21206919 JYMKBYACMSVBRO-UHFFFAOYSA-N 397.431 2.768 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2cccs2)n2nnnc2N3)c1 10297028 FPZUUSKNESZXBS-OAHLLOKOSA-N 379.405 2.601 0 40 GFAB N[C@H]1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]12 8296706 CRNAKYOWLBNZDV-HOCLYGCPSA-N 375.350 2.866 0 40 GFAB biogenic,in-vitro COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)NC(C)C 8475891 CWTFRKIQAIVPFI-UHFFFAOYSA-N 384.404 2.912 0 40 GFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 102343623 XOLGKLPXIXNUFJ-IRXDYDNUSA-N 393.409 2.736 0 40 GFAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 2626984 KYZXZPIELPHJJL-HNNXBMFYSA-N 399.447 2.501 0 40 GFAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)c(C(F)(F)F)c1 32912713 MRLPMDRJCPLQRA-CPCISQLKSA-N 398.200 2.618 0 40 GFAB COCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 22573564 JKMSTQICUVAGJL-UHFFFAOYSA-N 389.253 2.802 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1csc2c1CCCC2 42268651 KYAJBJXODHTTLU-UHFFFAOYSA-N 379.459 2.517 0 40 GFAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(OC)c(OC)c1 815854 MCFQCQKUAGECRD-UHFFFAOYSA-N 375.421 2.627 0 40 GFAB COc1ccc(N(C(=O)C(Cl)(Cl)Cl)[C@@H]2C=CS(=O)(=O)C2)cc1 1295444 RAAMGDNSHXMLGP-SNVBAGLBSA-N 384.668 2.709 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 24828329 XYCYZUJKXVNXTQ-UHFFFAOYSA-N 394.258 2.995 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(CN(C)C)cc1 23962324 UXGCFVBEMWLRLG-FQEVSTJZSA-N 399.560 2.916 0 40 GFAB COC(=O)[C@@H](C)[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 118927935 RKZIYOHKBLFLTH-UITFUNDESA-N 394.552 2.757 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1=Cc2ccccc2OC1 25637128 IPKDSUGDCNWDQM-HXUWFJFHSA-N 382.435 2.791 0 40 GFAB CCCc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)[nH]n1 26133607 SCTCXYGLRFVMPI-UHFFFAOYSA-N 383.448 2.869 0 40 GFAB CCN(CC)[C@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1ccccc1 24943456 TVVMLOAVVGBRJK-LJQANCHMSA-N 395.459 2.560 0 40 GFAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 20046009 AVSQNMRBEOSJTO-OLZOCXBDSA-N 382.432 2.997 0 40 GFAB NC(=O)C1CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 12520187 JIQDAQNGARHUMR-UHFFFAOYSA-N 394.500 2.964 0 40 GFAB CON(C)S(=O)(=O)c1ccc(C(=O)N2CCSc3ccccc32)cc1 57963276 VSIZONLEYGPKRK-UHFFFAOYSA-N 378.475 2.621 0 40 GFAB CCOc1ccc([C@@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)cc1 10297566 GTCAMBKGZYSXOE-MRXNPFEDSA-N 377.364 2.522 0 40 GFAB O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1noc(-c2ccco2)n1 58202848 NYYQTFCPQAESGC-UHFFFAOYSA-N 390.399 2.919 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(C(C)(C)C)c2)CC1 16807800 WPVTUCPCRXRDOI-UHFFFAOYSA-N 398.525 2.846 0 40 GFAB COc1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cn1 10991739 OBTVOHDZLCLYOA-FQEVSTJZSA-N 375.428 2.878 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C 12884040 AXFSMVPSACZPAI-OAQYLSRUSA-N 379.416 2.551 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)o1 3413718 CNBDXOMDJMRVIP-INIZCTEOSA-N 380.441 2.539 0 40 GFAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 12955221 JZHKRWHXOWWODT-LSDHHAIUSA-N 381.494 2.735 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCc1c(C)noc1C 12927549 DGLXCHJVWMDFBT-UHFFFAOYSA-N 397.522 2.722 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2c(C)noc2C)cc1 8341117 OCIQHRHYRFLSBZ-LBPRGKRZSA-N 379.482 2.813 0 40 GFAB Cc1ccsc1CN1C[C@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@@H]2C1 306128370 GYQOAJMPIUDIPW-GDBMZVCRSA-N 397.504 2.790 0 40 GFAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1 71285050 OZSWIWVOJIHWKP-UHFFFAOYSA-N 388.855 2.516 0 40 GFAB Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1 6560615 YPEADWOBJDZBEH-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB NC(=O)[C@H]1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)c2ccccc2O1 6649132 TZVASKQPFCSBFU-HXUWFJFHSA-N 388.427 2.643 0 40 GFAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CC2 6602367 YKFLDIOJPOCMJL-CQSZACIVSA-N 398.459 2.860 0 40 GFAB COc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)COC(C)(C)C4)cc1 4785875 WEBYQHMWJWTLHD-UHFFFAOYSA-N 382.445 2.955 0 40 GFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1 6760127 CSKZPOIGSHLKID-UHFFFAOYSA-N 377.397 2.705 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1 9051370 SPLQYXXKSAAZSW-UHFFFAOYSA-N 383.481 2.756 0 40 GFAB COc1cccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1O 7977037 GCQMQLUWYLYWGK-UHFFFAOYSA-N 381.392 2.577 0 40 GFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 9256738 JFIBWPIHWQTYSP-UHFFFAOYSA-N 386.448 2.743 0 40 GFAB C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CCC2(CC1)OCCO2 19826743 WISLRRYRTWAEIH-MRXNPFEDSA-N 375.490 2.841 0 40 GFAB COC(=O)c1nnn(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)cc1 96336477 PLIMGILENGQOOC-UHFFFAOYSA-N 399.403 2.755 0 40 GFAB Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 78789982 JLTUOSLDAWMMMS-UHFFFAOYSA-N 385.445 2.999 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 9577948 UVVIZSBLPFLJGW-UHFFFAOYSA-N 395.459 2.555 0 40 GFAB COC(=O)C(C)(C)C(C)(C)NC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1 95962148 JSNLLNPWTHAIPK-UHFFFAOYSA-N 392.452 2.901 0 40 GFAB C[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(F)cc1 22525323 BPYNUKIOZOSZPV-NSHDSACASA-N 386.395 2.747 0 40 GFAB CC1(C)C[C@H](NC(=O)CN(c2ccccc2)S(C)(=O)=O)c2ccccc2O1 22326409 ACXBQZOXPOMJQN-KRWDZBQOSA-N 388.489 2.871 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 36393084 MCBOGHINHKPGDU-UHFFFAOYSA-N 393.399 2.805 0 40 GFAB O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)Nc1ccc2c(c1)CCCC2=O 515997184 GDLIABJMZLBBIQ-CUAOGDNCSA-N 378.472 2.836 0 40 GFAB Cc1nnnn1-c1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 71281220 FWXYCMPOTMKAGU-UHFFFAOYSA-N 397.866 2.748 0 40 GFAB Cn1cc(Oc2ccccc2C(=O)Nc2ccc3c(c2F)CCNC3=O)cn1 560153822 HSIVGZDBPDIUDC-UHFFFAOYSA-N 380.379 2.890 0 40 GFAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ncccc2c1=O 32891514 GOYOPFINFQOEMP-UHFFFAOYSA-N 398.488 2.786 0 40 GFAB O=C(O)CCCCCN(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 217372105 KHAQEDAYPIDHTO-HNNXBMFYSA-N 387.885 2.614 0 40 GFAB COC(=O)CSc1nnc(NC(=O)COc2cccc3c2CCCC3)s1 223145392 OEEUGXLGPAPXCS-UHFFFAOYSA-N 393.490 2.700 0 40 GFAB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(SC)cc1 224976318 ATXNITRIWBBGJE-UHFFFAOYSA-N 381.475 2.785 0 40 GFAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 47462438 LQSBEBVRLFKPER-AWEZNQCLSA-N 397.518 2.755 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 223992903 GKIJQNUAVPOCBJ-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1=CCCCC1 225099629 DQTXZGBRVXCZHW-SFHVURJKSA-N 380.510 2.856 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1 224917652 SXJQHFQBZYGESW-IBGZPJMESA-N 390.505 2.898 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(OC)c2)ccc1Cl 223898197 XLHUMOZBPKRQPY-UHFFFAOYSA-N 383.853 2.956 0 40 GFAB O=C1NCC[C@@]12CN(Cc1cccnc1)CC21CCN(Cc2cccs2)CC1 96036338 SJJSUWJEDSXIOZ-JOCHJYFZSA-N 396.560 2.747 0 40 GFAB COc1ncccc1CN1CC[C@@]2(C[C@H](OCc3csc(C)n3)CO2)C1 96218477 BGLHLMKQWQPXGM-PKOBYXMFSA-N 375.494 2.805 0 40 GFAB COCCOCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(OC)c3)o2)C1 257269596 MQPIUALOGHYYOM-QGZVFWFLSA-N 388.464 2.643 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CC(c2ccnc(Nc3ccccn3)n2)C1 257324193 WNQHEEDNNCWEGP-UHFFFAOYSA-N 381.461 2.544 0 40 GFAB COCC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 257309024 TZGABZRILUHGOW-IIAWOOMASA-N 381.542 2.916 0 40 GFAB C[C@H](CNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 260850882 SNJRMVHVTJCERQ-CABCVRRESA-N 378.469 2.900 0 40 GFAB Fc1ccc(OCc2noc(-c3nnn([C@@H]4CCNC4)c3C(F)F)n2)cc1 629681414 UNBXQCTYDXSDDQ-SNVBAGLBSA-N 380.330 2.518 0 40 GFAB CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)Nc2cccc3nccnc23)C1 1674311845 FYOCEKTUVAWFQJ-SFHVURJKSA-N 390.491 2.568 0 40 GFAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]1CCc2cc(F)ccc21 668021079 ZCOYEHRGTRUQID-XIKOKIGWSA-N 376.453 2.723 0 40 GFAB COc1nn(C)cc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119688 FUYMWXBUJUMBSW-UHFFFAOYSA-N 379.376 2.915 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1CCCO1)C2 585107250 RVTZWASVZHGCHX-XMSQKQJNSA-N 380.492 2.955 0 40 GFAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCCCC1 585284670 UXEDHNCRCYWJSF-NCYKPQTJSA-N 380.573 2.982 0 40 GFAB C[C@@H]1CCCN(C(=O)CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 57525231 KZHKQRBMSYZKNJ-QGZVFWFLSA-N 393.553 2.922 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2cccc(OC)c2OC)=NO1 5030062 IWZMLMYZRUIZDD-KRWDZBQOSA-N 384.388 2.622 0 40 GFAB O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5441088 LTXKCTRQMDZLIJ-UONOGXRCSA-N 378.457 2.626 0 40 GFAB biogenic,in-vitro COCc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)o1 12134347 IAKWRQIGCYJXLA-CQSZACIVSA-N 384.436 2.811 0 40 GFAB Cc1ccccc1N1C(=O)[C@](NC(=O)Cc2ccccc2)(C(F)(F)F)N=C1O 12322319 YMXQKWRUVLSQMQ-GOSISDBHSA-N 391.349 2.873 0 40 GFAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581885 BHKOGYYUDUKKKL-UHFFFAOYSA-N 390.505 2.698 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1OC 15174695 TXWJLEOMECARCY-UHFFFAOYSA-N 382.460 2.872 0 40 GFAB O=C(c1cc(C2CCN(Cc3ccc(F)cc3)CC2)no1)N1CCC[C@@H](O)C1 19333825 ZWXZOORKFCKEKQ-GOSISDBHSA-N 387.455 2.790 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3cc(Cl)ccc31)C2=O 19665647 VGBUINWPTURXNP-UHFFFAOYSA-N 375.856 2.730 0 40 GFAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCN2CCCC2)CC1 12254665 ISKJZSPMXGXRSH-UHFFFAOYSA-N 380.492 2.526 0 40 GFAB CCc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)on1 12276647 JGARIYDZMDNAIA-AWEZNQCLSA-N 378.432 2.904 0 40 GFAB CCOc1cc(C)ccc1OCC(=O)N1CCC(c2n[nH]c3nccnc23)CC1 12228438 ACXCRVOQCSOCCR-UHFFFAOYSA-N 395.463 2.845 0 40 GFAB O=C1COC[C@H](C[C@H]2CN(C(=O)Cn3ccc4ccccc43)c3ccccc32)N1 554058368 IUIIRJSBNCSFIO-ROUUACIJSA-N 389.455 2.677 0 40 GFAB COCC(C)(C)N1CCN([C@H](C(=O)O)c2cccc(Br)c2)CC1 580898419 YEDABFAIAYCUNW-HNNXBMFYSA-N 385.302 2.617 0 40 GFAB Cc1noc([C@@H](NS(=O)(=O)c2c(C)cccc2Cl)C2CCOCC2)n1 583613520 MTUHAZJNMORKIR-AWEZNQCLSA-N 385.873 2.786 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc(NC(C)C)s2)cc1OC 3383256 BTZVZZNSOYRCCE-UHFFFAOYSA-N 382.511 2.784 0 40 GFAB COc1cc(=O)n(C)cc1C(=O)N1CC(n2c(C(C)(C)C)nc3ccccc32)C1 1889213065 NTEFPLSNQMNUTQ-UHFFFAOYSA-N 394.475 2.738 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1cccc(F)c1)C(F)(F)F 3103505 PGTVWQREPPERHC-INIZCTEOSA-N 385.317 2.884 0 40 GFAB CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 4348178 WREQFIYKTSZNCO-OAHLLOKOSA-N 392.452 2.878 0 40 GFAB CCc1ccc(N2C(=O)N(c3ccccc3OC)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4393599 OFQCXCGNMDNYBD-ROUUACIJSA-N 386.473 2.870 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCc5ccccc54)cnc32)c(C)c1 4479251 IUDPNWCNYNOFNI-UHFFFAOYSA-N 399.454 2.788 0 40 GFAB O=C(NCCNc1cc(-n2cccn2)ncn1)Nc1cccc(C(F)(F)F)c1 23144631 KRTVPMKYCPEGRE-UHFFFAOYSA-N 391.357 2.915 0 40 GFAB O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)NCc1ccccc1Cl 33250002 JVVYGRHVJNPJTO-UHFFFAOYSA-N 377.853 2.759 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)c2cccc(Nc3ncccn3)c2)c1 36739474 RBSVGQWUUWLURY-UHFFFAOYSA-N 391.431 2.940 0 40 GFAB CC(C)(C)c1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)NC4=O)CCCC2)cc1 40069917 YPLOKRXOZXNCMH-UHFFFAOYSA-N 397.519 2.997 0 40 GFAB CCOC(=O)N1CCC(NC[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 40160714 QGEQJILVMRCHHU-QUCCMNQESA-N 376.497 2.652 0 40 GFAB CCn1nc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c2ccccc2c1=O 40156849 HAKQOPQQTRYVOG-QGZVFWFLSA-N 392.459 2.633 0 40 GFAB O=C(c1ccco1)N1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1 31685838 OKBBEDVRPDYFGR-UHFFFAOYSA-N 384.823 2.921 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ncn(Cc2ccccc2F)n1 36615461 BGKVYERYMQSCTB-KRWDZBQOSA-N 384.367 2.764 0 40 GFAB CC(C)N1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)CC1 36619082 OCCSXHBGMVPMHA-UHFFFAOYSA-N 382.443 2.533 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCO[C@@H](C)C3)cc2)cc1C 11502626 HEDVOMJHETYMNA-INIZCTEOSA-N 388.489 2.965 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCSc1ccc(Cl)cc1 8125541 CUFUEUVXVKHQJT-UHFFFAOYSA-N 395.912 2.803 0 40 GFAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCc2ccccc2C1 1345726 HTBWSXQOUKWODX-UHFFFAOYSA-N 398.528 2.813 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(C)C 20745187 BCDYBLVLTJRNJH-RDJZCZTQSA-N 390.871 2.918 0 40 GFAB CC(C)OC(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4142495 BUIRXUKDPLWXQU-IIMDRIAPSA-N 394.439 2.769 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1c(F)cccc1F 21282283 RHIMZHDLPGAQDA-CYBMUJFWSA-N 390.386 2.882 0 40 GFAB C=CCNc1nc2cc3c(cc2nc1NS(=O)(=O)c1ccccc1)OCCO3 8147992 ZMBJHLFMFFVBJZ-UHFFFAOYSA-N 398.444 2.800 0 40 GFAB COc1ccc(-c2noc(CNC(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 4943605 RHVXHHJEVSNJRG-UHFFFAOYSA-N 383.404 2.621 0 40 GFAB biogenic C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCCCCC1 6259935 QJAIMQUUKQOQJC-LBPRGKRZSA-N 389.315 2.519 0 40 GFAB COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 7990184 LJUVFYZIYHYSMS-CYBMUJFWSA-N 397.460 2.993 0 40 GFAB COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(OC)cc2)n1 8476337 CJIBIIIILVVPIU-UHFFFAOYSA-N 386.839 2.973 0 40 GFAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ccccc2)CC1 33029223 MZHYEATVLSACLE-HSZRJFAPSA-N 390.487 2.550 0 40 GFAB COc1cc(CCC(=O)NCc2ccccc2CN2CCOCC2)cc(OC)c1 21935289 LRQKPVASSMDVAE-UHFFFAOYSA-N 398.503 2.785 0 40 GFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(Br)o1 683305 QNCISGIHSJVIRJ-MRVPVSSYSA-N 394.019 2.606 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CSc3nccc(C(F)(F)F)n3)nnc12 22614466 CDANNVPWUPGDHF-UHFFFAOYSA-N 392.366 2.682 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)cc1C(N)=O 46799527 AMAJXTBPQSDNRQ-UHFFFAOYSA-N 386.395 2.933 0 40 GFAB CC(=O)Nc1ccc(C2=C[C@H](c3ccco3)n3nc(CCCO)nc3N2)cc1 100892636 UFZXWAYNIGVKAR-QGZVFWFLSA-N 379.420 2.810 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 28092220 IIFYLUQTXHZHIZ-UHFFFAOYSA-N 397.294 2.929 0 40 GFAB COc1cc(CN[C@@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O 27400522 AYFMIHCKEHNRBY-OAHLLOKOSA-N 376.840 2.826 0 40 GFAB C[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1nc2ccccc2[nH]1 12560310 OYBRBLATLULFIL-RDJZCZTQSA-N 376.460 2.831 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccccc2F)n2nnnc2N3)c1 10296882 DACUJKWSTFCTBJ-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 2132789 UGDAZYNWOJHMFO-WHWRDJHUSA-N 375.421 2.573 0 40 GFAB biogenic CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C)CC(=O)N21 2110953 CONFCMCCTXKQDG-PGRDOPGGSA-N 389.455 2.881 0 40 GFAB biogenic Cc1ccc2c(C)cc(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1C 12536765 HBMVILZQPDLSKD-HUUCEWRRSA-N 392.546 2.944 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@@H]2C)C1 58419862 VDFWEIAIOALKMS-GUTXKFCHSA-N 376.428 2.836 0 40 GFAB CC(=O)N1C[C@@H](C(=O)NCc2coc(-c3cccs3)n2)Oc2ccccc21 10878958 FONBIWHTPTUKCC-INIZCTEOSA-N 383.429 2.833 0 40 GFAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1Cl 48091082 BIOJNZPJKIJCLO-KRWDZBQOSA-N 386.945 2.806 0 40 GFAB O=C(CNc1ccc(F)cc1F)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 12876876 XBVKLMVHXGYSHQ-OAHLLOKOSA-N 380.416 2.597 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 3429430 ZJYSIVZALKIFBY-UHFFFAOYSA-N 398.440 2.880 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)s1 12975473 UBEVDWRHUBGNLM-SECBINFHSA-N 395.282 2.855 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OC(C)=O)cc1 3636528 KKQSXKDHUBNQJB-BDJLRTHQSA-N 388.445 2.824 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1Cc2ccc(C)cc2C(=O)O1 5032262 GUOFOXAADIGSNO-GOSISDBHSA-N 399.399 2.519 0 40 GFAB CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 5015221 RBUQXWCOKQOOBW-UHFFFAOYSA-N 393.490 2.938 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4472917 VDKOGNUUZLMWFL-MHGIMSBQSA-N 381.428 2.770 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 14017921 VLFWNYFPAPMQAG-LKBUQDJMSA-N 383.448 2.989 0 40 GFAB CCC(CC)NC(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 14085006 IILJHJRUECRLFF-MRXNPFEDSA-N 395.573 2.844 0 40 GFAB O=C(COc1ccccc1C(=O)N1CCCCC1)NCc1ccc2c(c1)OCO2 14018139 JCNZJOFIQCACLU-UHFFFAOYSA-N 396.443 2.737 0 40 GFAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18067092 MVDISLGYXNPMBG-YHUYYLMFSA-N 385.851 2.669 0 40 GFAB CN(C)S(=O)(=O)c1cccc(CSc2nnc3[nH]c4ccccc4n23)c1 6506051 NIIAVYUVXZZBBO-UHFFFAOYSA-N 387.490 2.753 0 40 GFAB CCC(=O)Nc1ccc(-c2nnc(SCC(=O)N(CC)CC)n2C)cc1 4691089 DRJSZHHFSMSUIK-UHFFFAOYSA-N 375.498 2.791 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1 8744590 AVWDPFBVFPGTLU-UHFFFAOYSA-N 399.516 2.855 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccccc1I)[C@@H]1C[C@@H]31 408759015 WLTLCAWGSNRSSL-XQLQCCRHSA-N 391.208 2.849 0 40 GFAB C[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 5830791 HGVUIGDBXNKVPJ-MRVPVSSYSA-N 382.750 2.901 0 40 GFAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)s1 5974664 YMCGGDXORCPHSS-CQSZACIVSA-N 395.502 2.874 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)cc1 19169578 NSVJBXXWSGHFDE-ZCNNSNEGSA-N 377.444 2.621 0 40 GFAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc2c(c1)n(C)c(=O)n2C 7602020 HQKDFQPAWDFSJM-UHFFFAOYSA-N 396.476 2.550 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 20110934 FNLULHRGLOHTNT-OAHLLOKOSA-N 376.478 2.556 0 40 GFAB COC(=O)C1(O)CCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 97230566 YODUPCJTGONKRM-UHFFFAOYSA-N 385.258 2.598 0 40 GFAB C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@@H](C)N1CCOCC1 97212387 BRGDBBLYYXUXSW-VXGBXAGGSA-N 398.385 2.594 0 40 GFAB O=C(NCC(=O)N1CCCc2ccccc21)c1cc(Br)ncc1F 95465199 FKWLUKJOECXJHE-UHFFFAOYSA-N 392.228 2.692 0 40 GFAB COc1cc(N2C[C@H](C(=O)O[C@@H]3CC[C@@H](C)C3)CC2=O)cc(OC)c1OC 95996093 QUVVHLCFGZCGDY-UMVBOHGHSA-N 377.437 2.797 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)cc1 95996955 SNJPKMFPKAQKFJ-HNNXBMFYSA-N 379.503 2.973 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ncnc3ccc(C)cc23)C1 95999579 OGEQQIOYESFPHP-CQSZACIVSA-N 380.452 2.630 0 40 GFAB O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc2c([nH]c1=O)CCCC2 79066867 ZXMDWMXTXCNJQE-UHFFFAOYSA-N 395.503 2.710 0 40 GFAB Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc1Cl 89643341 LISXNOKAZBIIMJ-KRWDZBQOSA-N 383.839 2.736 0 40 GFAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 408733564 KEPNROCMMQHFKH-APYUEPQZSA-N 387.741 2.554 0 40 GFAB c1ccc(N2CCCCC2)c(CN2CCn3c(nnc3C3CCNCC3)C2)c1 72372112 XSFVQVPQZZDFOR-UHFFFAOYSA-N 380.540 2.751 0 40 GFAB COc1cc([C@@H](CC(=O)NCc2ccco2)c2oc(C)cc(=O)c2O)ccc1O 524732121 YHGQJMTYWXXGOT-OAHLLOKOSA-N 399.399 2.799 0 40 GFAB biogenic CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4ccc(F)c(-n5nnnc5C5CC5)c4)[C@H]1[C@H]3C2 554266911 YMMPZQSATCWUPM-YUBHHTAFSA-N 398.442 2.566 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccco1)NC2=O 72339153 PDUFOBXTUSCOGH-XEXNZASOSA-N 396.443 2.859 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3C)CC2)cc1 35291839 IRLAKKWQKKGSLY-UHFFFAOYSA-N 381.476 2.837 0 40 GFAB CCCc1nnc(SCC(=O)Nc2nc(C)cs2)n1C[C@H]1CCCO1 35312419 NRDIBMILXFPTHP-GFCCVEGCSA-N 381.527 2.905 0 40 GFAB COc1ccccc1Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 72358282 ZXUQGDXXGOMFHR-IBGZPJMESA-N 398.488 2.930 0 40 GFAB CCCN(CCC)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 72329648 VSJFHLJAAVWIKN-UHFFFAOYSA-N 383.452 2.712 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC[C@H](CC(=O)O)C1 566958000 WAEBWVKKMQWLES-GXFFZTMASA-N 375.391 2.879 0 40 GFAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218620006 AFJSLWNNGFFMOD-BQFCYCMXSA-N 379.865 2.618 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218606451 KWDDTXHGUJXPFX-WSTZPKSXSA-N 391.464 2.582 0 40 GFAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)NC2CCCCC2)CC(=O)N3)cc1 40400545 CJAZTWOVTRHSKT-OAHLLOKOSA-N 395.463 2.697 0 40 GFAB O=C(NCC(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1)c1ccccc1 225728699 RIAHRBPOISXIRO-OAHLLOKOSA-N 393.365 2.510 0 40 GFAB O=C([C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)N1CCn2c(nnc2C2CCCC2)C1 527487100 NQAQDQIYRDWGSX-GBOPCIDUSA-N 384.402 2.634 0 40 GFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@@H](c1cccnc1)C1CCOCC1 225622738 YMXXQQXFJKMOCK-VBKZILBWSA-N 384.432 2.862 0 40 GFAB CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1 77099727 IBNNZJDOEHXNOO-UHFFFAOYSA-N 392.477 2.509 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)s1 225653388 WKDBEINTNSZRPH-NSHDSACASA-N 381.479 2.826 0 40 GFAB CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)c3cccc(F)c3)O2)no1 96268966 NPIBGWOAAHPDRZ-OKZBNKHCSA-N 390.455 2.992 0 40 GFAB biogenic,in-vitro COc1ccc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1F 292458060 OSHULPXHGAJJFB-UHFFFAOYSA-N 382.443 2.631 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCCc1ccc(Cl)cc1)CS2 90609834 SMJDAIKKGILDPC-CQSZACIVSA-N 391.924 2.848 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 260746281 VIFLXPMTOFPTSE-OAHLLOKOSA-N 384.567 2.942 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)c1 260822920 CHLXPDNCDFMDRC-OAHLLOKOSA-N 378.469 2.940 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)c1 1628918165 HPITYMGDEGRPHB-SFHVURJKSA-N 393.443 2.751 0 40 GFAB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCc3c(F)ccc(C(=O)O)c3C2)C1 630238730 MPQSTLHUWGONSZ-KGLIPLIRSA-N 390.455 2.693 0 40 GFAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 96025400 CAONENIJYQGCEM-LBPRGKRZSA-N 391.923 2.638 0 40 GFAB CCc1nn(C)c(CC)c1S(=O)(=O)N(C)c1cc(Cl)ccc1C(=O)O 655588857 ICTLBVZKLLVOMF-UHFFFAOYSA-N 385.873 2.722 0 40 GFAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1oc3ccccc3c1C)CC2 585096379 KXUQSMGGHIPBBC-CQSZACIVSA-N 396.447 2.531 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC1CCN(C(=O)c2ccncc2)CC1 48278249 PMZHXYIYCXLNPP-UHFFFAOYSA-N 397.523 2.514 0 40 GFAB Cc1ccc(-n2c(C)nn(CN3CCN(c4ncccn4)CC3)c2=S)cc1 56552664 BPSXQYQBCVAFQD-UHFFFAOYSA-N 381.509 2.590 0 40 GFAB CC(C)(C)NC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12 72327115 BVDYRZHCTXMQTQ-UHFFFAOYSA-N 389.931 2.535 0 40 GFAB N#CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 6080115 AJISJRKRUVFPRZ-SFQUDFHCSA-N 386.436 2.996 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccccc3C(C)C)C2=O)cc1 5089469 RWCXNWAVTUOAFU-UHFFFAOYSA-N 395.415 2.753 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)C[C@H]2NC(=O)c3ccccc32)on1 12337690 VFKRGLQRQVNAJV-QGZVFWFLSA-N 391.431 2.582 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713282 VJRUWULKKROQDJ-SFHVURJKSA-N 390.505 2.865 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)ccc1OC 15896872 QQKUDJIWYMJDLU-UHFFFAOYSA-N 390.505 2.964 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@H]([C@H](NC(C)=O)c2ccccn2)C1 19020285 BBMPAIMSEDKACR-GCJKJVERSA-N 381.476 2.749 0 40 GFAB CC(C)C(=O)N1CCO[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19085785 MPAHAONUKLYJCM-HSZRJFAPSA-N 395.503 2.633 0 40 GFAB Cn1nc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)c2nccnc21 19289400 DQFQFKSSVZJWOL-GFCCVEGCSA-N 391.884 2.585 0 40 GFAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 19565118 LGBURAPANSMIAJ-KRWDZBQOSA-N 399.491 2.660 0 40 GFAB CCNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935747 SXXDHBRSRMPWDV-GOSISDBHSA-N 376.478 2.583 0 40 GFAB CC(=O)Nc1nc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cs1 12086958 FEZGTQKWAYOHPU-AWEZNQCLSA-N 387.461 2.904 0 40 GFAB COc1ccc(-c2nccc3ccn(CC(=O)N[C@@H]4CCC[C@H]4O)c23)cc1OC 12135474 SOAAQPTUMVNBOS-IAGOWNOFSA-N 395.459 2.750 0 40 GFAB CCOc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc1Cn1ccnc1 19533673 NPDNDBWFPCOSFZ-GOSISDBHSA-N 393.491 2.711 0 40 GFAB CCOc1ccc(CN2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1Cn1ccnc1 19533675 NPDNDBWFPCOSFZ-SFHVURJKSA-N 393.491 2.711 0 40 GFAB O=C([C@H]1CCCCO1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888866592 XTAHRUKGEWREHQ-GOSISDBHSA-N 384.480 2.793 0 40 GFAB CN(C1CCN(Cc2ccccc2Br)CC1)S(=O)(=O)C1CC1 2087147315 OUYILHPOAOFAOI-UHFFFAOYSA-N 387.343 2.838 0 40 GFAB COc1ccccc1N1C(=O)N(c2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@@H]21 4393618 YWIMFRZHUQLHPW-ROUUACIJSA-N 386.473 2.924 0 40 GFAB COc1ccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)cc1 4315844 RERBPJSVOZOOQA-UHFFFAOYSA-N 396.472 2.932 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)c3cc4ccccc4o3)CC2=O)cc1OC 4497695 OFTHLFRSMXOSOO-CQSZACIVSA-N 380.400 2.985 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c1 5099510 CORVNUFJXOCXNT-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)c3cccc(OC)c3OC)CC2=O)cc1 5195819 LJBZIBLRYZGEDD-CQSZACIVSA-N 384.432 2.638 0 40 GFAB CC(C)(C)NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O 22768068 MSHDSRXZRTZAPV-UHFFFAOYSA-N 383.427 2.513 0 40 GFAB Cc1nnsc1C(=O)Nc1nnc(SCc2cn3ccccc3n2)s1 48984801 ZVDISWZKHBXQOY-UHFFFAOYSA-N 389.491 2.890 0 40 GFAB NC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)CC1 10386662 MAVXRLYHHGIZDW-UHFFFAOYSA-N 391.262 2.824 0 40 GFAB O=C(Nc1ccccc1-n1cccn1)c1cccc(N2CCCS2(=O)=O)c1 40133807 YBFNUPRGJHWIIZ-UHFFFAOYSA-N 382.445 2.665 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)NC[C@@H]2COc3ccccc3O2)c(C)c1 31036929 HKKQADYSYBGVAO-MRXNPFEDSA-N 383.448 2.690 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 31721447 AYDOFBHEYOWUAI-OUKQBFOZSA-N 392.502 2.788 0 40 GFAB Cc1ccc2nc(NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)sc2c1 29245351 JJYCLERXDOQUPI-HNNXBMFYSA-N 397.435 2.803 0 40 GFAB CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1OCC 11654331 IIPXXAOEPMGBSC-UHFFFAOYSA-N 397.431 2.759 0 40 GFAB CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(F)cc2)n2c1CCC2 1560616 UHDCUGADFBGPPB-UHFFFAOYSA-N 375.400 2.952 0 40 GFAB COc1cc([C@@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc(OC)c1OC 101234964 OSLOCJVFUMRHRJ-HNNXBMFYSA-N 383.383 2.894 0 40 GFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccccc3F)ccc12 2712215 BXHWFMZGALPATF-UHFFFAOYSA-N 398.390 2.721 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 3329810 ITFYQUPJJORYBL-UHFFFAOYSA-N 389.401 2.686 0 40 GFAB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 6224021 DMKVZEZMPIARSJ-UHFFFAOYSA-N 397.247 2.904 0 40 GFAB CN(CCOc1ccccc1F)c1ccc(S(=O)(=O)NC2CCCC2)cn1 32869658 BIBZMHJPOSJHAZ-UHFFFAOYSA-N 393.484 2.957 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)CC1 32895795 RHTUCFNHYWNNFT-UHFFFAOYSA-N 377.422 2.508 0 40 GFAB CNC(=O)Cc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 32833628 GVBPNPQDCDONIJ-UHFFFAOYSA-N 383.267 2.538 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1ncn(-c2ccccc2)n1 12268479 SHHMKHOKJWMDBF-UHFFFAOYSA-N 396.472 2.789 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Br)o1 22506549 RLOABIYDOCYKDY-NSHDSACASA-N 385.283 2.907 0 40 GFAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(OC)cc1OC 815860 MINZMNWIBRPMNW-UHFFFAOYSA-N 375.421 2.627 0 40 GFAB COC(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c1 12406061 CRTSWQCWPFVGPW-GOSISDBHSA-N 382.416 2.634 0 40 GFAB O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(F)ccc1F 8108316 MUFDIZPNRFJHPV-UHFFFAOYSA-N 383.344 2.762 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20030369 UZIDOMQJENUPDQ-GCZGRYASSA-N 392.477 2.570 0 40 GFAB CC(C)CCn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 1080861 CNHNKXBHSVEPNE-UHFFFAOYSA-N 376.844 2.926 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(Cc3ccccc3)CC1)C(=O)C2 101030190 PMKBLFJSSLFUQR-NQIIRXRSSA-N 390.549 2.529 0 40 GFAB COc1cc2nc(NC(=O)c3ccc(-n4cncn4)nc3)sc2cc1OC 24716057 QJVPBNAUYKPJCV-UHFFFAOYSA-N 382.405 2.542 0 40 GFAB O=C(NCCn1c(=O)oc2ccccc21)N1CC=C(c2ccc(O)cc2)CC1 106565472 VAWOMOMAGOKXKI-UHFFFAOYSA-N 379.416 2.799 0 40 GFAB COc1ccc(C)cc1CCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 25761913 GKWNRQBFYFGELN-UHFFFAOYSA-N 379.460 2.922 0 40 GFAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1)C3 20671447 QIRJTJKEGGKDDU-ZDUSSCGKSA-N 382.445 2.692 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)n[nH]2)cc1 58163191 KQWOCQBBLLFOPW-UHFFFAOYSA-N 376.463 2.641 0 40 GFAB CC(C)CCNC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 44839498 RSHRBGKVKMOMEY-UHFFFAOYSA-N 393.487 2.568 0 40 GFAB CN(C)CC(=O)Nc1cccc(CNC(=O)CCn2ccc3ccccc32)c1 58215174 CVXTXJXQDGRXGY-UHFFFAOYSA-N 378.476 2.848 0 40 GFAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 27718862 RYMSMERYIGHAMY-WCQYABFASA-N 375.450 2.679 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccccc1F 12648073 LYYXAKNGGRYGTL-MPBGBICISA-N 387.386 2.609 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)c1cnc2sc3c(n2c1=O)CCCC3 10327405 SJPCGEWIBFECGW-UHFFFAOYSA-N 383.429 2.658 0 40 GFAB CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)N1C(=O)c2ccccc2C1=O 3347653 CVLHYFNUCQNQRT-PMACEKPBSA-N 393.487 2.726 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 28228264 ZADPTQYWLSQDDA-LJQANCHMSA-N 387.501 2.898 0 40 GFAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 3377073 ZEUCSZCZAMZGIF-QGZVFWFLSA-N 397.378 2.693 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(SC[C@@H](O)COc2ccccc2)nc1 10866820 IYTUSPMZHCRUMY-HNNXBMFYSA-N 396.534 2.644 0 40 GFAB C[C@@H](C(=O)N1CCc2ccccc21)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3336149 WXPANJTVOCOXFO-NPMXOYFQSA-N 389.455 2.748 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1F 45395203 BOSMCZNWRVFSKW-ZDUSSCGKSA-N 397.454 2.736 0 40 GFAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@H](O)CN1CCCCC1 48285669 QELPCAXCKXLHPS-SFHVURJKSA-N 394.922 2.969 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC(C)C 3494802 NTMLCORYXCDDTP-UHFFFAOYSA-N 391.497 2.548 0 40 GFAB Oc1nnc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@@H]2c1ccccn1 112000010 MVIQSKORBOUNME-OAHLLOKOSA-N 378.783 2.579 0 40 GFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 12943772 QZJWEGZQIWLIRA-CALCHBBNSA-N 393.553 2.625 0 40 GFAB CN(C)C(=O)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8359512 KQTNHCMPZNNCSW-UHFFFAOYSA-N 396.878 2.940 0 40 GFAB CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1F 4036117 HUYLRCIUBJXPKB-GOSISDBHSA-N 375.425 2.895 0 40 GFAB CCN(CC)C(=O)C[S@@](=O)CC(=O)Nc1cc(OC)c(Cl)cc1Cl 4013219 KPBJHPLSAFDSIY-XMMPIXPASA-N 395.308 2.558 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 8395204 FXCJIZXJKRMRGU-UHFFFAOYSA-N 377.853 2.668 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(Br)cc1F 5244464 YKNWRICEZJIRHY-UHFFFAOYSA-N 391.200 2.722 0 40 GFAB CC(C)CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 6580840 JXOYNGNMJYKGCA-CYBMUJFWSA-N 379.400 2.871 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Cl)c1 6509997 UDWJNMXNBGYOOF-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB CC(=O)c1cccc(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 5560060 XFIOYVVPVXNXBK-UHFFFAOYSA-N 377.491 2.948 0 40 GFAB COc1cccc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c1 6810949 GMTPOZIMXDHDDO-KRWDZBQOSA-N 377.437 2.664 0 40 GFAB O=C1[C@H]2OC[C@H](O2)[C@H]2[C@@H]1[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc(F)cc1 15161954 FFBISRRZTPMMHX-KLEIYGSUSA-N 391.398 2.849 0 40 GFAB C[C@H](OC(=O)CCNC(=O)c1ccsc1)C(=O)Nc1ccc2c(c1)CCC2 18597856 VNVBYKPUOQKGBP-ZDUSSCGKSA-N 386.473 2.927 0 40 GFAB COCCn1cc2c(n1)[C@H](NC(=O)C1(c3ccccc3)CCOCC1)CCC2 96002916 QPOBGYZMUZNMPN-LJQANCHMSA-N 383.492 2.772 0 40 GFAB CC[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 96942019 FWXHMGRONBOUHG-BTAWCLGRSA-N 376.434 2.614 0 40 GFAB COc1ccc2cnn(CC(=O)Nc3nc4ccccc4s3)c(=O)c2c1OC 79494826 MYIWGOKAFVAINM-UHFFFAOYSA-N 396.428 2.662 0 40 GFAB CN(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 22373475 MTFGKEWDRQJLKJ-UHFFFAOYSA-N 384.860 2.758 0 40 GFAB COc1ccc(CCNC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1OC 22236189 GXEHKPGDAUVVTN-UHFFFAOYSA-N 384.407 2.667 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1C 408705875 PGKXWEUIBQGUGB-UHFFFAOYSA-N 376.478 2.712 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2F)cc1 409059082 QVRFHOOWDPDSLL-UHFFFAOYSA-N 378.469 2.850 0 40 GFAB CN(C)S(=O)(=O)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349311 GMZQOPWPRONAGY-UHFFFAOYSA-N 377.485 2.797 0 40 GFAB O=c1[nH]c(N2CCCCCC2)nc2c1CN(Cc1ccc3nccnc3c1)CC2 72389586 OMWKBQVKWZIJJS-UHFFFAOYSA-N 390.491 2.652 0 40 GFAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 35290743 TYJALOIJVRGZMA-INIZCTEOSA-N 390.919 2.758 0 40 GFAB CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(OC)cc1 39985216 FLJYXZAYOIIVFT-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 40009900 JHRWLLWHXGCNNI-IBGZPJMESA-N 380.444 2.843 0 40 GFAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224240438 YVHPGOLSVYOMGM-UHFFFAOYSA-N 384.483 2.641 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)C)CC2)cc1C 226047059 ZKIBEAAKAYCRDG-UHFFFAOYSA-N 396.553 2.957 0 40 GFAB CN(C)c1nn(CC(=O)N2CCN(c3ccccc3)CC2)cc1-c1ccccc1 49006554 UTCUFXYTKBHFBC-UHFFFAOYSA-N 389.503 2.965 0 40 GFAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223204920 VHHZEGVBKRZPDY-WOJBJXKFSA-N 399.564 2.598 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1 224689504 YXNWKKGYOWLNOC-UHFFFAOYSA-N 386.445 2.946 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cc1F 220870087 PYENZPSCSUSMGJ-ZDUSSCGKSA-N 397.410 2.769 0 40 GFAB Cc1cc(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)cnc1Br 1594279102 JUWUDYCCXIQKFQ-QGZVFWFLSA-N 377.238 2.925 0 40 GFAB O=S(=O)(c1cccs1)N1CCC2(CC1)C[C@@H](Nc1ccccn1)CO2 96221315 QNFNBSUFKCSRQZ-CQSZACIVSA-N 379.507 2.567 0 40 GFAB COc1ccc(CN2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@H]3C2)cc1F 96245538 MCGKZBTZBNOGIT-KDURUIRLSA-N 383.467 2.752 0 40 GFAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nc1C 257283787 OZVWRJXGWBFSMR-IBGZPJMESA-N 394.519 2.639 0 40 GFAB Cc1nnnn1-c1cc(NC(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)ccc1F 652463299 JTFOSBHARWHETH-QAPCUYQASA-N 397.414 2.547 0 40 GFAB CCc1nnc(N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)nc1CC 1255800585 NHZQZFRGYFDRPZ-SFHVURJKSA-N 375.904 2.505 0 40 GFAB Cc1ccc(NC(=O)c2ccc3c(O)ncnc3c2)cc1NC(=O)CCN(C)C 1624652900 SFZZPJZEFXOSCH-UHFFFAOYSA-N 393.447 2.786 0 40 GFAB O=C([C@@H]1CCc2ccccc2O1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831221 QMNJNLKMJUEYCK-VQTJNVASSA-N 385.485 2.769 0 40 GFAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 575405734 ZMXXWFSTPMPEQN-RXVVDRJESA-N 394.471 2.610 0 40 GFAB COc1cc(-c2cnc3n2CCN(C(=O)c2ccc(F)cc2OC)CC3)ccn1 585111644 ZBUIYRXSXZLKDN-UHFFFAOYSA-N 396.422 2.800 0 40 GFAB COc1cc(C(=O)NCC(C)(C)N2CCOCC2)cc(Cl)c1OC(C)C 49984727 JQSJKWUQWRJPSQ-UHFFFAOYSA-N 384.904 2.976 0 40 GFAB Cn1cc(N2CCC[C@H](NC(=O)N3CCc4ccccc4C(C)(C)C3)C2)cn1 664217508 LCKJUJWDBGPRSH-SFHVURJKSA-N 381.524 2.934 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Cl 5240632 MQCSDSZBWWUHTC-CYBMUJFWSA-N 390.823 2.772 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1F 11666384 GRDOKZDIZJJVLE-UHFFFAOYSA-N 395.369 2.783 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 12203483 QXGYWXXXQHTTSG-UHFFFAOYSA-N 393.443 2.538 0 40 GFAB O=C(COc1cccc(Cl)c1)NC[C@H](c1cccs1)N1CCOCC1 12973353 QZAVRZDBDLOSFZ-MRXNPFEDSA-N 380.897 2.970 0 40 GFAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccccc1)S(C)(=O)=O 13711364 CPIYIRCKRBZJED-QGZVFWFLSA-N 396.534 2.874 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1ccc(Cl)cc1 14274213 FLDHWNUQHLAFIU-SUMWQHHRSA-N 385.851 2.680 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccccc4)nn32)cc1 14607314 KOCAIIALDIPWIC-INIZCTEOSA-N 377.404 2.866 0 40 GFAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)CCc3ccccc3)s2)CC1 15674501 MMRTXQRMMCURRU-UHFFFAOYSA-N 394.522 2.530 0 40 GFAB CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 17170072 SOVXRXOJGNQGNF-UHFFFAOYSA-N 375.400 2.610 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 19374209 KRHQWZDRELGAPB-QHCPKHFHSA-N 378.472 2.779 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-n2cccn2)ccc1Cl 19664899 IKDRYLORXMMLHR-SFHVURJKSA-N 380.835 2.578 0 40 GFAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(S)nnc23)CN(C)CC4)cc1 19996847 MMNGRSRQVVPWSM-UHFFFAOYSA-N 383.502 2.680 0 40 GFAB O=C(Cc1ccc(F)cc1F)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793675 FYJUKNFVNPBTNL-UHFFFAOYSA-N 386.446 2.961 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3cc(C)oc3C)C2)n1 1888891065 SVLODWXPRKKYOJ-UHFFFAOYSA-N 379.416 2.826 0 40 GFAB Cc1nc2c(c(N3CCN(c4cc(O)nnc4-c4ccccc4)CC3)n1)CCC2 1888901151 CEJSOBCZJHQLQW-UHFFFAOYSA-N 388.475 2.763 0 40 GFAB Brc1cccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 1889199834 KDQMJHPXZOPHCY-UHFFFAOYSA-N 399.296 2.747 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)Cn2cccc(C(F)(F)F)c2=O)c1C 24742695 GXGWXMUFADFDFD-UHFFFAOYSA-N 395.381 2.581 0 40 GFAB CCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)c(C)n23)n(C)c1=O 4250857 DFPKLTWWPPUBJT-UHFFFAOYSA-N 385.855 2.737 0 40 GFAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccccc1Cl 19853409 JWWHCISMHFYPGP-UHFFFAOYSA-N 389.824 2.745 0 40 GFAB Cn1cnc(C(=O)N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)c1 1775971773 USCAWFQXSWTXMI-UHFFFAOYSA-N 377.448 2.808 0 40 GFAB CS(=O)(=O)c1cccc2sc(N3CC(COc4cccnc4)C3)nc12 2298224369 QJFCZMQAYPHRBT-UHFFFAOYSA-N 375.475 2.610 0 40 GFAB CCCC(=O)NC(=S)Nc1ccc(I)cc1C(=O)O 16636956 GTWLHARGXLWOKD-UHFFFAOYSA-N 392.218 2.603 0 40 GFAB CCOc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 19533106 AMJNARZMFLEFDP-GOSISDBHSA-N 394.519 2.860 0 40 GFAB CN(C)[C@@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccccc1Cl 27347097 DJAMEYMBIUJBNM-IBGZPJMESA-N 398.894 2.549 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(OC)cc1 40013504 VVAOMPCPRBHVDW-LJQANCHMSA-N 396.443 2.638 0 40 GFAB CN(C)CCCN1CNC2=N[C@H](c3ccccc3)n3c(nc4ccccc43)N2C1 20101273 IABDOQOBOHHPEU-FQEVSTJZSA-N 389.507 2.531 0 40 GFAB Brc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1 20171040 XLMPYVQBKFXYFQ-UHFFFAOYSA-N 376.258 2.618 0 40 GFAB CN1CCN(C(=O)c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)CC1 20405176 QCQXMICVWGZNIL-UHFFFAOYSA-N 380.275 2.591 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)NCc3cn4ccccc4n3)cc2)C[C@H](C)O1 28875414 QAHOKDIDAUHBSY-IRXDYDNUSA-N 378.476 2.874 0 40 GFAB O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(CCc1ccccc1)CN2 20567686 OKXIHNVDQHMHJO-UHFFFAOYSA-N 382.851 2.607 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)Cn2cnc3ccsc3c2=O)cc1 11651942 BSRBYEMCZJYINZ-VMPITWQZSA-N 383.429 2.673 0 40 GFAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 3483346 LFBZJKRQZFLQRY-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)CC)cc21 4399960 PZHUBBTZCHKATF-UHFFFAOYSA-N 376.453 2.672 0 40 GFAB Cc1c(C(=O)Nc2nncs2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 21215073 RPCCENUSSRBNGE-UHFFFAOYSA-N 383.458 2.988 0 40 GFAB CCOc1ccccc1C(=O)NC1CCN(CC(=O)NC2CCCCC2)CC1 4909323 SKJZEQJOFKKQAO-UHFFFAOYSA-N 387.524 2.728 0 40 GFAB [CH2-]c1c2ccccc2nc(SCC(=O)NCc2ccc(OC)c(OC)c2)[n+]1C 32739646 MLIBDGVWZORDHQ-UHFFFAOYSA-N 397.500 2.667 0 40 GFAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 11866896 PCCSQTIJPCBNTJ-KSFYIVLOSA-N 385.460 2.942 0 40 GFAB biogenic CCn1cc(C(=O)OCC(=O)c2ccc(OC)cc2)c(=O)c2ccc(C)nc21 8130483 SKJISVZIQMCOIC-UHFFFAOYSA-N 380.400 2.773 0 40 GFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1cn2ccccc2n1 32988900 SCVSPVMFLYUTNG-MRXNPFEDSA-N 386.455 2.851 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 41615958 VMNCHIRZCSGIGE-UHFFFAOYSA-N 397.859 2.525 0 40 GFAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(C)c1 54200520 VQGBVZUGWVJTAA-UHFFFAOYSA-N 397.294 2.983 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102082673 UFJHFFHNUULDFO-LJITYGPFSA-N 391.254 2.985 0 40 GFAB O=C(C1CCN(Cc2cccc(O)c2)CC1)N1CCN(Cc2ccccc2)CC1 819268 QDSXWOMFDMMURY-UHFFFAOYSA-N 393.531 2.949 0 40 GFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(F)c3)c2C)cc1 71326965 XTPIMOBLQNFCEK-UHFFFAOYSA-N 397.410 2.934 0 40 GFAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)cc1Cl 12408436 RSEQBJGWAACDEQ-GFCCVEGCSA-N 388.276 2.652 0 40 GFAB CCc1nc2ccccc2n1CC(=O)NC[C@H](c1cccs1)N1CCOCC1 23745087 QNXZIHGKAYZNLG-GOSISDBHSA-N 398.532 2.850 0 40 GFAB Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)NCc2ccco2)cc1 12532627 LCUGFQOUFMTPHB-UHFFFAOYSA-N 385.445 2.696 0 40 GFAB O=C(c1oc2ccccc2c1NS(=O)(=O)c1ccccc1)N1CCOCC1 12508165 NZEBYWIVNYVKRV-UHFFFAOYSA-N 386.429 2.706 0 40 GFAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc(C(C)C)nc12 28557697 FRGMEXBCMFNPMO-UHFFFAOYSA-N 396.470 2.897 0 40 GFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2 108367230 GBCMXZIMMPEIIH-GCGJSEPQSA-N 396.535 2.920 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1C 57531980 FDQIQGPNAJJMFL-BXUZGUMPSA-N 384.432 2.941 0 40 GFAB COc1ccccc1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1 1962516 WOPMBUVHXQOWAA-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20030358 XPVPNRCBEWMUJN-GCZGRYASSA-N 392.477 2.570 0 40 GFAB O=C(NCCc1nc2ccccc2[nH]1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 10432477 ZKBQTQIIRCPGOG-UHFFFAOYSA-N 389.415 2.697 0 40 GFAB O=C(Cc1cccc(F)c1)NCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 45059024 MVJRPLRVGMQACD-UHFFFAOYSA-N 392.434 2.677 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 3359305 IUXPHPNKJXVTTH-UHFFFAOYSA-N 384.417 2.538 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 3315394 KWNYDWRPOCIMQS-UHFFFAOYSA-N 399.321 2.925 0 40 GFAB CCn1c(=O)n(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 12777567 XNOCNANQWWQHHJ-IBGZPJMESA-N 392.503 2.604 0 40 GFAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H](CN1CCCC1=O)c1ccccc1 48289051 OPPKMBSYURWZNP-NRFANRHFSA-N 388.471 2.895 0 40 GFAB COc1ccc(NC(=O)CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 12973949 FSBLYNGGVVHNPN-UHFFFAOYSA-N 396.896 2.693 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCO[C@@H](c2ccc(F)cc2)C1 12943100 CCAJARHGFMZMSY-LJQANCHMSA-N 393.436 2.749 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2cccs2)C(=O)[C@]31C 4061273 IVKRNAVUURUOPD-NRFANRHFSA-N 395.484 2.880 0 40 GFAB biogenic O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6271261 QDSXYGSRXSQNSW-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB Cc1ccc(SCC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C 14185598 YUCRPAUUWQHENN-AWEZNQCLSA-N 378.519 2.920 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43COS(=O)(=O)O)[C@@H]1CCC2=O 118930664 OFAHVPXLWWIVAF-JAOLZEGWSA-N 384.494 2.679 0 40 GFAB COc1ccccc1CCC(=O)OCC(=O)NCc1ccc(OC)c(OC)c1 6509071 JNABOVXIBGLJHE-UHFFFAOYSA-N 387.432 2.505 0 40 GFAB COc1ccc2nc(N[C@@]3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1 4690193 XIQUIOJDKKCLSH-CYBMUJFWSA-N 388.396 2.920 0 40 GFAB CCOC(=O)C1=C(COC(=O)CC2CCCC2)NC(=O)N[C@@H]1c1ccccc1 5528813 ANGFBSRBAVQDIY-LJQANCHMSA-N 386.448 2.981 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1cc2c(=O)n3ccccc3nc2s1 6865102 DHUNLLFNIRHAAK-UHFFFAOYSA-N 379.397 2.568 0 40 GFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc2c(c1)OCCCO2 6850651 BEFJNMUXMQRPAS-UHFFFAOYSA-N 391.383 2.943 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c(OC)c1 66889350 KMHSNYXNNIFKPW-UHFFFAOYSA-N 390.871 2.784 0 40 GFAB O=C1N[C@H](c2ccsc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 15024297 ICEPCWLFVBBDPY-BREBYQMCSA-N 376.381 2.914 0 40 GFAB O=C1CN(C(=O)CSc2nnc(-c3ccccc3F)o2)c2ccccc2N1 4986962 BNNGQWWUCCKNBH-UHFFFAOYSA-N 384.392 2.953 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 6931507 SWQGKXPFBWMSEA-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB Cc1csc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 7196038 CEYBZAWZGDJXJV-NSHDSACASA-N 385.536 2.821 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H](c2ccccc2)O1 67602929 ANLLTEQQGDXNFX-HNAYVOBHSA-N 388.489 2.762 0 40 GFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16025179 YYRKTOXXDWIDNM-WPMYHTOXSA-N 389.883 2.515 0 40 GFAB CCn1c(S[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)nnc1C1CC1 7841305 FKYQPIWVSGCWKN-GFCCVEGCSA-N 390.509 2.990 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(Cl)cc1 16262204 ALOFRXLYQMVFPR-KRWDZBQOSA-N 386.839 2.692 0 40 GFAB O=C(OCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7950449 ZMYFPZDSYDWUHH-UHFFFAOYSA-N 380.853 2.877 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)OC)C2)c(Br)c1 72307859 HVDGMSGPAULECI-NSHDSACASA-N 399.241 2.653 0 40 GFAB CCOC(=O)c1c(NC(=O)CN[C@@](C)(C(=O)OC)C2CC2)sc(C)c1CC 72308590 LKBQOFZOAGRWNU-LJQANCHMSA-N 396.509 2.665 0 40 GFAB COC(=O)CCCc1nc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)no1 78806204 HNBZIQQSCSXVSE-CQSZACIVSA-N 383.452 2.821 0 40 GFAB COc1cc(/C=C/C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc(OC)c1OC 95450533 FRVODMLLTISKQW-MVGZEHJDSA-N 376.497 2.914 0 40 GFAB COc1ccc(CNC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1O 170898324 JOQHNODGKUCSQB-LJQANCHMSA-N 383.492 2.765 0 40 GFAB Cc1cc2ncn(C[C@H](O)CNC(=O)c3ccccc3-n3cccn3)c2cc1C 89609014 YVTCGDFIFRMKEP-QGZVFWFLSA-N 389.459 2.630 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)c(Cl)c1 408535710 WBECGPMXXNOGOR-UHFFFAOYSA-N 376.906 2.569 0 40 GFAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409228162 UXNHNIXQFXDEHL-SFQUDFHCSA-N 380.400 2.721 0 40 GFAB CCN(c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1)S(C)(=O)=O 30752500 PICDIOFYPFBYFD-UHFFFAOYSA-N 398.488 2.588 0 40 GFAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 306138125 RPVYTRKQMULVPO-QUCCMNQESA-N 392.927 2.710 0 40 GFAB O=C(NCc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 509168058 FYXWPMUGUCRRRW-INIZCTEOSA-N 376.453 2.543 0 40 GFAB NC(=O)c1cc(NC(=O)c2ccc3c(c2)OCCCO3)ccc1N1CCCC1 35511667 JTUQEYNBRLSGPM-UHFFFAOYSA-N 381.432 2.799 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(C)c1 32587414 OXNCQWBVSPXYNU-UHFFFAOYSA-N 395.433 2.608 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)cs1 306133078 MBDMGSQLDIBZHB-HOTGVXAUSA-N 382.445 2.568 0 40 GFAB CCSc1nc2n(n1)[C@@H](c1cnn(C)c1)[C@@H](C(=O)Nc1ccccc1)[C@H](C)N2 36621373 CUODOWOBTTYGSB-RCBQFDQVSA-N 397.508 2.782 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 38936658 JPHJJRCPKOJZAK-MRXNPFEDSA-N 396.509 2.635 0 40 GFAB O=C(c1cc([C@@H]2CCCN(CCCc3ccccc3)C2)n[nH]1)N1CCOCC1 72380623 LPYPVIKKBKYMGW-LJQANCHMSA-N 382.508 2.694 0 40 GFAB COc1cccc(-c2cc3nc(C)cc(NCCCN4CCOCC4)n3n2)c1 35314440 OZDOGXOOFYOBMG-UHFFFAOYSA-N 381.480 2.848 0 40 GFAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 565063867 IJAAXVPUXYIXBQ-JOCHJYFZSA-N 375.476 2.970 0 40 GFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 71332957 SKLQTPJYOZATQK-HXUWFJFHSA-N 386.540 2.992 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 223856397 AUPDCHGIQPLBSS-UHFFFAOYSA-N 393.461 2.748 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 223413874 PGLYPTDNCPYNPQ-FQEVSTJZSA-N 384.476 2.936 0 40 GFAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1 225401544 CVWRJQNZPRAUGY-LEWJYISDSA-N 395.503 2.605 0 40 GFAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224142111 YPTXIKXCGBRGJR-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB Cc1ccc2sc(CN3CCN(S(=O)(=O)c4cccnc4)CC3)nc2c1 528408736 XMFKEBJASXCUHW-UHFFFAOYSA-N 388.518 2.506 0 40 GFAB CC[C@@H](C)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 44742337 RDECLCDFHKPUHS-CYBMUJFWSA-N 386.309 2.621 0 40 GFAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccco3)nnc12 45895900 DLBUCENGSNXVMG-UHFFFAOYSA-N 399.476 2.748 0 40 GFAB CCNC(=O)c1ccc(OCC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224797958 ZEJFMLRYJBRJIB-UHFFFAOYSA-N 394.468 2.940 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCc3nc4ccccc4[nH]3)cc2O1 96114434 MHLLVHCTZCWSJH-UHFFFAOYSA-N 395.415 2.708 0 40 GFAB biogenic O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(N=S2(=O)CCCC2)cc1 1597913726 JIGWZBBHPBVWTN-UHFFFAOYSA-N 396.472 2.929 0 40 GFAB Cn1nc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c2c1CCCC2 585140310 KZMQMSXNLMOCNL-KRWDZBQOSA-N 393.447 2.563 0 40 GFAB CCO[C@H](CS(=O)(=O)N1CCN(c2nccc3sccc23)CC1)C1CC1 625221311 BNEMCDZQIAFJHP-MRXNPFEDSA-N 395.550 2.563 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)o1 43998196 SDPHFENIIYEEIG-IRXDYDNUSA-N 376.453 2.528 0 40 GFAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 46673574 PXHHOKXLZGLMTP-KBXCAEBGSA-N 395.459 2.909 0 40 GFAB Cc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc(S(=O)(=O)N(C)C)c1C 67091325 VTZBTGKMXAUFII-MSOLQXFVSA-N 390.480 2.979 0 40 GFAB O=C(NCCN=c1cc[nH]cc1)c1cc2c(F)c(Br)ccc2[nH]1 1160613398 NJTMYXQNRJJLOX-UHFFFAOYSA-N 377.217 2.728 0 40 GFAB Cc1ncoc1C(=O)N1CCC[C@H]2NC(=O)COc3ccccc3CC=CC[C@H]21 1615123222 GHBQJHBGOQJDPI-QZTJIDSGSA-N 395.459 2.654 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)c1 12872697 CFYCMJFNQNHKAG-UHFFFAOYSA-N 392.459 2.536 0 40 GFAB COc1ccc(Cc2nnc3nc(OC)c(-c4ccc(OC)cc4)n3n2)cc1 13212059 YPJFSRPZJQPIGD-UHFFFAOYSA-N 377.404 2.803 0 40 GFAB COc1cc(NC(=O)CN2C(=O)CSc3ccccc32)cc(OC)c1OC 15601622 OQJZZUZXRCZAOR-UHFFFAOYSA-N 388.445 2.790 0 40 GFAB O=C(C/C=C/c1ccccc1)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19368500 BCTYWPDGDTVMGD-RRGNZLCHSA-N 378.476 2.738 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)N4CCCCCC4)ccc3c(=O)n2CC1 19448605 PLBYWCHVXCXYIM-UHFFFAOYSA-N 382.508 2.679 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c(C)c1C 19556156 QQWUSNZSJIRRLC-JLTOFOAXSA-N 396.539 2.949 0 40 GFAB COc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 19569961 MWHQLYLABHZCHA-SFHVURJKSA-N 379.460 2.630 0 40 GFAB COc1ccc(CN2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 19590475 AVZUHSNKJCQCFY-KRWDZBQOSA-N 382.508 2.861 0 40 GFAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)NCc1ccccc1 19819096 SCKATKSUIWNDAI-GOSISDBHSA-N 378.428 2.803 0 40 GFAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)C2CC2)CCNC1=O 19571729 ZWVIQNCYEPMQHR-SFHVURJKSA-N 378.472 2.889 0 40 GFAB O=C1CN(C(=O)CN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc2N1 19658137 TZOLQDLJWQZINQ-UHFFFAOYSA-N 383.423 2.654 0 40 GFAB Clc1cnc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)nc1 1775995004 HAVMUMYLJNOTEG-UHFFFAOYSA-N 384.875 2.552 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775986066 SBHHJUHOCLSTFR-AWEZNQCLSA-N 385.439 2.891 0 40 GFAB O=C(Cc1ccc(F)cn1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542923 IEXGXMMAYDVUKM-UNMCSNQZSA-N 399.466 2.773 0 40 GFAB O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1 5144805 ZQFZVJWSTGQTRR-UHFFFAOYSA-N 396.472 2.781 0 40 GFAB CCc1ccc(NC(=O)Cn2ccn(-c3ccc(C)c(C)c3)c(=O)c2=O)cc1 8588287 SAWPQNQACIUPPW-UHFFFAOYSA-N 377.444 2.817 0 40 GFAB COc1cccc(N2C[C@@H](CNC(=O)C(=O)c3c[nH]c4ccccc34)OC2=O)c1 9106462 ALVPBUBKMDJURR-OAHLLOKOSA-N 393.399 2.501 0 40 GFAB COC(=O)c1ccc(Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)o1 12228603 DQBOZSBHYYNKHN-UHFFFAOYSA-N 378.388 2.627 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@@H]4[C@@]2(O)[C@@H]1O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C 1857787883 ONMDPPVVEFWDOD-ZAUIHMIXSA-N 388.504 2.614 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)NCc1cncc(-c2ccnn2C)c1 585402306 KOMUVKVHNKUVDT-UHFFFAOYSA-N 378.461 2.968 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](OCCO)c1ccsc1 575621026 NGZGELBQKMCBPL-AWEZNQCLSA-N 375.899 2.738 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(O)CC3)c(O)n2n1 22855185 DISCLUZANWXAFN-OAHLLOKOSA-N 376.457 2.744 0 40 GFAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 40145686 GERDVMLMMHYHAQ-KRWDZBQOSA-N 397.479 2.769 0 40 GFAB CC[C@@H](CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 30559908 MUZJVDBGVUVBDS-INIZCTEOSA-N 378.480 2.651 0 40 GFAB CCOC(=O)N1CCC(C(=O)N(C)CC(=O)Nc2ccccc2SC)CC1 31547355 OTNHEOXWVOWWSR-UHFFFAOYSA-N 393.509 2.674 0 40 GFAB CCN1CCN([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441812 UOIPUVKKBLCBKB-MSOLQXFVSA-N 385.961 2.567 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1 8168640 DCQBWLGVMOBVIT-UHFFFAOYSA-N 394.443 2.728 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)CCc2nc(C(C)C)no2)CC1 32307537 CHRXWINCNDFTSM-UHFFFAOYSA-N 384.480 2.855 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32492717 NABQBSZQFDVIPC-AEFFLSMTSA-N 398.434 2.634 0 40 GFAB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)o1 6950651 JKPSHMNHSYUQSQ-WYMLVPIESA-N 399.472 2.966 0 40 GFAB CCOC(=O)c1cnc(SC)nc1Nc1cc(S(=O)(=O)CC)ccc1O 11907817 UFSKVXKKSIVCFS-UHFFFAOYSA-N 397.478 2.618 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8035203 JFYHIPQWKWVFHW-AWEZNQCLSA-N 396.415 2.674 0 40 GFAB CSCC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)c2ccccc2C1=O 8329233 PAGYUYPIRAOYSF-MRXNPFEDSA-N 398.440 2.741 0 40 GFAB Cc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cc(C)c2C)cc1 21718461 PYVFDPPRTHDDKX-UHFFFAOYSA-N 383.473 2.841 0 40 GFAB O=C([C@@H](Sc1nncn1Cc1ccco1)c1ccccc1)N1CCOCC1 22193815 OKWBTPVDSTWJDN-KRWDZBQOSA-N 384.461 2.612 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 102913347 DIJGVIJEQHJNMN-CQSZACIVSA-N 394.518 2.743 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccnc1O 12521930 QKYCOIJRZQMNIN-UHFFFAOYSA-N 387.436 2.674 0 40 GFAB COCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 12548667 GAZDVYNHPKLTOI-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1 12507882 GQLVTQLDUHLZCF-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCO[C@H]2CCC[C@H]21 56192986 CJBXLTSEVKLYKW-CVEARBPZSA-N 398.912 2.518 0 40 GFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC1CCCCC1 22252503 VKCRUHJHDPXIFD-UHFFFAOYSA-N 384.498 2.552 0 40 GFAB COCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 26535459 DIWMSVDITZTQHJ-UHFFFAOYSA-N 394.474 2.557 0 40 GFAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccccc1 20458908 SUMLTIRJZQEERM-LPHOPBHVSA-N 388.489 2.871 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)cc1 27358395 GQLLBLMKJZJRKW-QGZVFWFLSA-N 383.448 2.920 0 40 GFAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2cccc(F)c2)n2nnnc2N3)cc1 10232591 APIGJAJBYUDJIP-QGZVFWFLSA-N 375.367 2.978 0 40 GFAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2F)n2nnnc2N3)cc1 10232594 IXSBBCXBVKQTMB-KRWDZBQOSA-N 375.367 2.978 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N2C(=O)NC3(CCCCCCC3)C2=O)cc1 3393684 XIZRUGOQUBOQKV-HNNXBMFYSA-N 387.480 2.735 0 40 GFAB Cc1oc(-c2cccs2)nc1COC(=O)c1csc(S(N)(=O)=O)c1 10873810 IXCDSMHAKRMUDC-UHFFFAOYSA-N 384.460 2.777 0 40 GFAB Cc1ccnc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)c1 11097413 MTAHVGYSVQLASN-INIZCTEOSA-N 380.448 2.838 0 40 GFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)C2CC2)s1 12824315 RRYRABWQOHLSDE-QGZVFWFLSA-N 399.516 2.900 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc2c1CCCC2 3465890 CZQINWWPFMSUMM-UHFFFAOYSA-N 388.445 2.994 0 40 GFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cccc(Cl)c2)c(=O)c1=O 67320286 VDPFQDQWJUBVMP-UHFFFAOYSA-N 387.798 2.739 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1cccs1 4081923 XIMZTKPPTXAAHB-SGTLLEGYSA-N 390.486 2.652 0 40 GFAB biogenic Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1C1CC1 7617413 JIFCZYKFRFQIRU-UHFFFAOYSA-N 391.522 2.691 0 40 GFAB COCCCn1c(C(=O)N2CCC(C)CC2)cc2c(=O)n3cccc(C)c3nc21 5246273 TUTNYGJCVGTVHD-UHFFFAOYSA-N 396.491 2.866 0 40 GFAB Cc1ccc(C)c(COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c1 5263972 NOHMIPHCCRMMMC-UHFFFAOYSA-N 388.489 2.766 0 40 GFAB O=C(OCc1ccc(Br)cc1F)c1cccc(-n2cnnn2)c1 7735259 GPIVLHWIHALVJW-UHFFFAOYSA-N 377.173 2.921 0 40 GFAB CC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 6640075 WLWQOGROBRMCKC-UHFFFAOYSA-N 378.416 2.632 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1C 4778291 QPDWNSLIGFNGLG-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)NC(=O)c1cccs1 6881841 UZCURSYTINOFIQ-UHFFFAOYSA-N 393.421 2.898 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)N2CCc3ccccc32)CC1 17898230 BMKWYJBPKSAAJA-UHFFFAOYSA-N 388.464 2.766 0 40 GFAB Cc1cc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)[nH]n1 9110785 RKHXEOFQQUNPGH-UHFFFAOYSA-N 379.449 2.574 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ncccn4)C3)c2c1 9420832 DNNJDSXTBBYFGG-INIZCTEOSA-N 379.464 2.542 0 40 GFAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc(Cl)c2c(c1)OCO2 71837490 DKZBHXRHTHCVTM-UHFFFAOYSA-N 383.791 2.977 0 40 GFAB O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(c2ccccc2)CC1 79476439 FHICHFAFOCTUDF-MRXNPFEDSA-N 385.899 2.695 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 408597214 UEQGODOCHISIMA-GJZGRUSLSA-N 376.478 2.630 0 40 GFAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 514696202 HESYDTXOIQACGA-CJNGLKHVSA-N 380.414 2.990 0 40 GFAB COc1ccc([C@@H](NC(=O)N=c2cc[nH]cc2Br)C2CC2)cn1 529040203 MHHDTTUUKJWUFI-HNNXBMFYSA-N 377.242 2.942 0 40 GFAB CC(=O)N1CCc2cc(C(=O)CN3CCN(c4ccccc4F)CC3)ccc21 36068630 QTKIUHCKGRADSP-UHFFFAOYSA-N 381.451 2.740 0 40 GFAB O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cnn2c1CCC2 564708091 HJLQHTOYDWJXON-ZDUSSCGKSA-N 383.402 2.716 0 40 GFAB O=C(Cc1csc(-c2ccc(F)cc2)n1)NCCc1nnc2ccccn12 30937217 UZKAUNQIAOBXSG-UHFFFAOYSA-N 381.436 2.893 0 40 GFAB COc1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1Cl 225878223 YATLQXLHBYHMEW-UHFFFAOYSA-N 375.859 2.737 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225711649 OGHQIXJOQYMMPN-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 222868299 UDPISKLRXAQTLK-HNNXBMFYSA-N 398.459 2.520 0 40 GFAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223053594 YEZOSBSBPAFDRY-NRFANRHFSA-N 382.504 2.925 0 40 GFAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1F 96237942 WALRPSDILOKXRM-JOCHJYFZSA-N 399.441 2.837 0 40 GFAB Cc1noc(C)c1CN1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244250 POMVQNIOTSQTOU-OAQYLSRUSA-N 377.448 2.817 0 40 GFAB Cc1nc2nc(NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)ccc2c(C)c1C 247931710 CQELETFMCUAFBD-YXUGBTPSSA-N 392.459 2.525 0 40 GFAB CC(=O)c1cccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 243545543 OHGJSEPGUHYPPK-UHFFFAOYSA-N 394.880 2.625 0 40 GFAB Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C 585084965 CIQIOUSXLMUTDV-RHSMWYFYSA-N 388.899 2.974 0 40 GFAB O=S(=O)([C@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1)N1CCc2ccccc21 541785645 XHIFBORHDVRSFJ-IBGZPJMESA-N 396.516 2.920 0 40 GFAB O=C(N[C@H](C[C@H]1CCCOC1)C(=O)O)c1ccc(COc2ccc(F)cc2)o1 630281898 VRVXTYXMZINXAV-CXAGYDPISA-N 391.395 2.997 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)c1 639486087 VWERGOQADDSKSL-UHFFFAOYSA-N 377.441 2.583 0 40 GFAB CO[C@]1(c2nnc(Cn3nnc(-c4ccc(Cl)cc4)c3C)o2)CCOC1 643650739 NFTKISRNWRZZIA-QGZVFWFLSA-N 375.816 2.600 0 40 GFAB Cc1ccc(Cc2ccccn2)cc1NC(=O)N[C@@H]1CCc2c(nnn2C)C1 654065532 AHRNXPVJZWOATC-QGZVFWFLSA-N 376.464 2.788 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1 575424811 NVEJTLBCUAZUQE-KRWDZBQOSA-N 379.503 2.686 0 40 GFAB Cc1c(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)[nH]c2c1C(=O)CCC2 84066593 PSFMYBMQEKRMLN-UHFFFAOYSA-N 375.469 2.783 0 40 GFAB Cc1cccc(CC(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615159209 OVVVVPMDAYKOBC-HSZRJFAPSA-N 378.472 2.962 0 40 GFAB O=C(CN1CCC[C@@H](c2ncncc2-c2ccncc2)C1)Nc1nccs1 12118515 HPHIUKIHUUAEOO-OAHLLOKOSA-N 380.477 2.813 0 40 GFAB C[C@H](CC(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1ccnc1 12220667 KXGGTRQPRFAFOQ-RADWXHQJSA-N 396.491 2.855 0 40 GFAB CCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(F)ccc1OC 13581144 VZINCJRANALSIC-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB CCN(c1ccc(C(=O)N(C)Cc2ccc(OC)cc2)cc1)S(C)(=O)=O 13682280 VMZALZBNMKRSIM-UHFFFAOYSA-N 376.478 2.753 0 40 GFAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(S(=O)(=O)c2ccccc2)n1 17081042 YGQKPBKOJOFGDF-UHFFFAOYSA-N 396.476 2.538 0 40 GFAB CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19085654 FKEAUUVJINHFKN-IBGZPJMESA-N 397.523 2.913 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@H](C)c4ccccc4)C3)ncc2C1 19459067 DFJUPSHMJXUIJV-CRAIPNDOSA-N 378.476 2.501 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)n1 19572947 DNBZVSRIYBPITH-YLJYHZDGSA-N 396.539 2.983 0 40 GFAB CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19591542 NHVWGNJWRJQEET-OAQYLSRUSA-N 394.500 2.959 0 40 GFAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccnn2C)CCO1 19705462 SLRSOXOYGMVFIF-INIZCTEOSA-N 399.520 2.742 0 40 GFAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2n[nH]c3nc(C)ccc23)CC1=O 19715381 NQSQAQILRBVNOJ-CYBMUJFWSA-N 379.420 2.575 0 40 GFAB CCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C(C)=C1C(=O)OC 19819210 KQLVASDVQFFFKU-ZDUSSCGKSA-N 384.354 2.641 0 40 GFAB Cc1cc(N2CCOCC2)nc(C2=CCN(Cc3nc4ccccc4[nH]3)CC2)n1 12143349 YCPOHRCFTMOKMZ-UHFFFAOYSA-N 390.491 2.787 0 40 GFAB COc1ccc(CCC(=O)N2CC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)cc1 13225624 URUQNSHTIMXIEE-MRXNPFEDSA-N 380.448 2.701 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)CCc5ccccc5)C[C@@H]4C3)n1)CCC2 1888890459 WOEWRJJOIJAVRY-RTBURBONSA-N 376.504 2.801 0 40 GFAB Cc1ccsc1CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 25718180 OIJOIBCFZNUCJK-UHFFFAOYSA-N 393.262 2.731 0 40 GFAB O=C(COc1ccccc1F)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775986011 OPLGVGMSYSJVHX-UHFFFAOYSA-N 399.466 2.579 0 40 GFAB COC[C@H]1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)CN1Cc1cccnc1 1565542599 DDKUXRGVFWIUCS-OAQYLSRUSA-N 396.535 2.872 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cccn(OCc3ccccc3F)c2=O)c1 4326164 JMOBNXHSENELPZ-UHFFFAOYSA-N 398.390 2.886 0 40 GFAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(OC)cc3)c2=O)cc1 4484304 DSEKQHAUKHAAJG-UHFFFAOYSA-N 397.456 2.981 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)c3ccc(Br)cc3)CC2=O)c1 5194858 WCRVTCGXQPRDRV-CQSZACIVSA-N 389.249 2.993 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCS2(=O)=O)cc1 5438469 ZASBJPRXCFMFTR-UHFFFAOYSA-N 388.445 2.640 0 40 GFAB C/C=C/Cn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 10233693 FAIZPIQCIPVRPW-FYCOFBDGSA-N 391.475 2.952 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(c3cc(C4CC4)ncn3)C2)n1 1775974911 WVYBXHXVDMZQEI-UHFFFAOYSA-N 375.432 2.648 0 40 GFAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](C(=O)O)C(C)C)c(C)c2oc1=O 6417468 DXOPKKWFXXMZGM-CZUORRHYSA-N 375.421 2.711 0 40 GFAB biogenic O=C1CCCN1c1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1 30009341 ODYZRYHNBGOHPO-UHFFFAOYSA-N 399.516 2.545 0 40 GFAB O=S(=O)(N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)N1CCCCCC1 40155796 NKPDJLDGDHNNSR-SFHVURJKSA-N 386.521 2.711 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NCCCCN3C[C@@H](C)C[C@H](C)C3)cnc12 40108520 GSFUDYAHMOGEDY-ROUUACIJSA-N 398.551 2.969 0 40 GFAB Cc1ccccc1C(=O)N[C@H](C(=O)NCCCN1CCCCCC1=O)C(C)C 36702827 ARQQHMVGVYVMLP-FQEVSTJZSA-N 387.524 2.658 0 40 GFAB CC(C)N1CC[C@@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C1 51138035 JMBROIGGSIFTRZ-OAHLLOKOSA-N 386.464 2.977 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790320 MGQQOZTYGQFPBM-JTQLQIEISA-N 384.465 2.698 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 787020 GKYLUXPEWLAQCX-UHFFFAOYSA-N 398.444 2.705 0 40 GFAB COc1cc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc(OC)c1 932378 ZSZCHQJZELQCJV-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324726 FJSUHJRVBPGMGB-KRWDZBQOSA-N 388.489 2.959 0 40 GFAB CCNC(=S)N1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1 1378878 SNXQGAMDEXNJRL-UHFFFAOYSA-N 375.567 2.895 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cn1 2501416 SRAZZKRKJJBGBT-UHFFFAOYSA-N 388.221 2.859 0 40 GFAB C[C@H]1CCCC[C@H]1OCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 46056907 IPCLWZQNRUZLNQ-FXAWDEMLSA-N 377.504 2.977 0 40 GFAB C[C@@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)NCC1CCCCC1 4876716 GNWLBANFNLLLKP-GFCCVEGCSA-N 377.489 2.975 0 40 GFAB NC(=O)C1(C(=O)N(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)CC1 11821418 RTKMKWXOUUWBNT-IBGZPJMESA-N 398.551 2.720 0 40 GFAB CC(C)CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 6375128 BFRWYEQAWOCIIE-UHFFFAOYSA-N 383.448 2.752 0 40 GFAB Cc1nnc(SCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 7979694 MFYMASCUMUQFOY-UHFFFAOYSA-N 397.547 2.996 0 40 GFAB C[C@@H]1C(=O)N(C[C@@H](O)COc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 32751005 YAXRVBUWCUBTLD-MLGOLLRUSA-N 376.359 2.562 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102593050 UFJHFFHNUULDFO-FZTCLAKQSA-N 391.254 2.985 0 40 GFAB CC(C)CN1CCO[C@H](CNC(=O)Nc2nnc(-c3ccsc3)s2)C1 52496735 AUSPUMRVIYUPDO-CYBMUJFWSA-N 381.527 2.745 0 40 GFAB CC[C@@H](C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996202 PXLDTHBYLYOQJL-CQSZACIVSA-N 385.464 2.585 0 40 GFAB C[C@H](C(=O)OCCOc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102628933 RCILBTYZIVHXSO-MCIONIFRSA-N 379.840 2.826 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1 29961509 PXBDIGKNBQXNCT-IBGZPJMESA-N 392.455 2.631 0 40 GFAB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(O)cc2o1 21847790 YPSLMOJKUSBPBE-UHFFFAOYSA-N 394.427 2.545 0 40 GFAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c1OC 102886404 SKYLPMMVVCJGCG-VQIMIIECSA-N 380.400 2.613 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 102082660 VHQHLRDEWOJBSN-JYMMAYFISA-N 391.254 2.985 0 40 GFAB CCCC[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102979691 ZTNRQRIGEAIPNV-MJPNTYEUSA-N 383.282 2.548 0 40 GFAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20044866 AGCOYFDVOVIPMC-KXBFYZLASA-N 388.489 2.708 0 40 GFAB COC(=O)c1sc(NC(=O)CNc2cc(F)cc(F)c2)c(C(=O)OC)c1C 22017950 WFULDXUUFRFHKA-UHFFFAOYSA-N 398.387 2.959 0 40 GFAB COc1ccc(-c2cnn([C@@H](C)C(=O)Nc3c(F)cccc3F)c(=O)n2)cc1 33324694 ULGDEUPOEQGDEM-NSHDSACASA-N 386.358 2.792 0 40 GFAB Cc1ccc(Oc2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C)cc1 789629 HCEWBAHRHHUCSV-UHFFFAOYSA-N 394.406 2.722 0 40 GFAB biogenic C[C@]12CC[C@@H](C[C@@H]1C(=O)NC[C@@H]1CCCO1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178384 XZNQWQJQXLWDJQ-UZWLTEDKSA-N 384.476 2.627 0 40 GFAB CCOc1cc(CCC(=O)N2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)on1 100753398 ZKCLDNIDTUNPHK-BBRMVZONSA-N 381.436 2.645 0 40 GFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NC1CCCCCCC1 22928553 MWPIYWNRSUOVQT-UHFFFAOYSA-N 377.510 2.734 0 40 GFAB Cc1cccc2c(=O)n(CCCC(=O)Nc3cccnc3-n3cccn3)cnc12 23170811 LIZVDPLAHDUZFQ-UHFFFAOYSA-N 388.431 2.705 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(NC(=O)c3ccco3)c1)CS2 23200753 YTFBOMSGZLWZNY-IFXJQAMLSA-N 385.445 2.924 0 40 GFAB C[C@@H](Oc1cnc2ccccc2n1)C(=O)N1CCN(Cc2ccccc2)CC1 23408341 XZZIIDPOIYTDOZ-QGZVFWFLSA-N 376.460 2.742 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 102082683 XWOIEBCMEHRJBZ-LJITYGPFSA-N 391.254 2.985 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C#N)c2)c1=O 57526149 VORNFYIEBKQNKB-UHFFFAOYSA-N 390.443 2.720 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F 12556717 WLIWBUUBEDQFNX-UHFFFAOYSA-N 376.338 2.668 0 40 GFAB Cc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)n(-c2ccccc2)n1 24980766 YSJUMOQQKZXDTJ-UHFFFAOYSA-N 378.219 2.683 0 40 GFAB COC(=O)c1ccc(C(=S)NCC2(N3CCOCC3)CCCCC2)cc1 25777889 CMOQZEPFYFZTFE-UHFFFAOYSA-N 376.522 2.773 0 40 GFAB Cc1ccccc1[C@H](C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 26679951 YYLXCHYNXVDFLH-HNNXBMFYSA-N 389.473 2.807 0 40 GFAB COc1ccc(-c2nnc([C@H](C)OC(=O)CCNC(=O)c3ccco3)o2)cc1 27361837 DNCCQQXBBPCZOR-LBPRGKRZSA-N 385.376 2.763 0 40 GFAB Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(-c2ccncc2)n1 58218115 TXJKRDDCGLMJLY-UHFFFAOYSA-N 377.423 2.949 0 40 GFAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408684573 NURASCVSFZWJDK-STEAMIEHSA-N 375.428 2.800 0 40 GFAB COC(=O)c1c(NC(=O)CSc2nncn2C)sc2c1CCCCC2 3395235 QEKVNINSTQHWCN-UHFFFAOYSA-N 380.495 2.663 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)OCc1cc(Cl)c2c(c1)OCO2 58370365 AZYMEZXEZQONBS-UHFFFAOYSA-N 388.811 2.799 0 40 GFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 36393256 ZERRRCSXGVUWBU-SCLBCKFNSA-N 394.447 2.844 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1 12910464 FBKUTQBDQVPJDC-UHFFFAOYSA-N 392.546 2.947 0 40 GFAB COc1ccc(-c2noc(Cn3nnc(-c4ccc(C)cc4)n3)n2)cc1OC 12994535 SYFNUKZCUKPICJ-UHFFFAOYSA-N 378.392 2.764 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1 3608639 PDTHLPVJUHKFQT-UHFFFAOYSA-N 395.868 2.558 0 40 GFAB CCCNC(=O)[C@H]1CN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc2O1 8395720 ICSOMRSWJLUXHS-QGZVFWFLSA-N 383.448 2.768 0 40 GFAB Cc1ccc(NC(=O)CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 8393715 HDPBNCMOSHNDEV-UHFFFAOYSA-N 391.479 2.885 0 40 GFAB Cc1nc(NC(=O)CSc2nc3ccccc3[nH]2)sc1C(=O)N(C)C 17076807 RYNYTXBILJTXMF-UHFFFAOYSA-N 375.479 2.760 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)NC1CCN(CC)CC1 14096767 IRVQUTUKCSQCAI-UHFFFAOYSA-N 391.331 2.610 0 40 GFAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccccc1Cl)C2=O 14161945 JVKRJKLREZFPGB-SHBDPFAUSA-N 380.872 2.718 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-n2cnc3ccccc3c2=O)c1 14187846 SASGRGYLAXJWBU-IBGZPJMESA-N 393.443 2.703 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(=O)c2ccccc2o1 6553153 KMDIEMUSIUENLR-UHFFFAOYSA-N 398.440 2.830 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](C)C(=O)O)CC2 6624324 LZQXWLQKXLWWHV-ORAYPTAESA-N 384.432 2.834 0 40 GFAB biogenic Cc1ccc(OCCN2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 66884483 FKWLSEIJNJDDQU-UHFFFAOYSA-N 393.531 2.971 0 40 GFAB COc1ccc(NC(=O)C2=NN(CC(=O)Nc3ccc(C)cc3)C(=O)CC2)cc1 67336696 QHVSVVYGZPXBDE-UHFFFAOYSA-N 394.431 2.559 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nccn3C(C)C)CC2)c1 72271292 PTKXTHSXXGMKKV-UHFFFAOYSA-N 376.526 2.587 0 40 GFAB O=S(=O)(NCc1cn2c(n1)CCCC2)c1sccc1Br 97000833 IGXDYHGCYVREHS-UHFFFAOYSA-N 376.301 2.522 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(CCCOC(C)=O)c2)cc1 97165049 KYBAHGOCQYFWRH-UHFFFAOYSA-N 391.445 2.770 0 40 GFAB CCc1ncnc(N2CCO[C@H](c3noc(-c4ccc(OC)cc4)n3)C2)c1F 95999719 YBFJEMVAHVMLJS-HNNXBMFYSA-N 385.399 2.815 0 40 GFAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 306132957 LXKGMWRQSJVQPX-UHFFFAOYSA-N 383.477 2.677 0 40 GFAB COc1ccccc1N(CC(=O)Nc1cccc(SC)c1)S(C)(=O)=O 409028379 MODYMFIABXYQSQ-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)n(C)c1 26855979 DCPXUFCFTVVVQS-UHFFFAOYSA-N 389.399 2.725 0 40 GFAB COc1cc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc(C(=O)O)c1OC 547823034 XTBORFVMYWMNFR-UHFFFAOYSA-N 376.390 2.684 0 40 GFAB Cc1cccc(Nc2nc(-c3cnc(N4CCOCC4)nc3C)cc(=O)[nH]2)c1C 39403993 QBMNNLKENLWBGJ-UHFFFAOYSA-N 392.463 2.732 0 40 GFAB CC(C)(C)c1ccc(OCC(=O)N2CCN(CCN3CCCCC3)CC2)cc1 32593469 PCZHKWFBHIAWKI-UHFFFAOYSA-N 387.568 2.993 0 40 GFAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 408549572 VATHSZYEJWHQBO-NTEUORMPSA-N 393.321 2.562 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2cccc(F)c2)n2c1nc1ccccc12 39963961 DZWABISNKHMELN-KRWDZBQOSA-N 382.395 2.738 0 40 GFAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1OC 31820319 KDFOSHABIHYWMS-LBPRGKRZSA-N 381.392 2.817 0 40 GFAB O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 36723251 KTCQPIWBCCRMFK-UHFFFAOYSA-N 398.278 2.741 0 40 GFAB O=C1C[C@@H](c2cccc(OCC(=O)Nc3ccccc3Cl)c2)N2N=CNC2=N1 38316130 ATCPQHWTHLQNRW-INIZCTEOSA-N 397.822 2.533 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1F 70640201 NQTMLDLNEJODSY-OAHLLOKOSA-N 384.329 2.941 0 40 GFAB CCc1cccc(NC(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1 35598115 HICWCQRWSIQATR-UHFFFAOYSA-N 391.479 2.887 0 40 GFAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc2n(n1)CCC2 560271944 QBKPJHKXANGMRV-ZDUSSCGKSA-N 379.247 2.671 0 40 GFAB CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cc(F)ccc1OC 39986303 RJVCURIXNPEOCC-UHFFFAOYSA-N 386.489 2.684 0 40 GFAB COC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218121412 JIDSSZFALXRQKC-FHWLQOOXSA-N 395.908 2.880 0 40 GFAB Cn1cc(C(=O)N2CCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)ccc1=O 72354905 JSZHWZVGOFTSJR-KRWDZBQOSA-N 393.422 2.541 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)N(C)Cc2cccs2)C(=O)N1c1ccc(F)cc1 45873476 ATWYCDLTQDDFHO-GFCCVEGCSA-N 375.425 2.703 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220161649 IRCQHDOAFLFMLQ-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)c(Cl)c1 226081057 HSOYKVQYKHUGDT-UHFFFAOYSA-N 376.906 2.569 0 40 GFAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(OC3CCCC3)nc2)C1 524923645 CVZRNGFTISDPEM-RDJZCZTQSA-N 395.525 2.558 0 40 GFAB O=S(=O)(NCc1ccnc(Oc2ccccc2F)c1)N1C[C@H]2CC[C@H]1C2 568945434 FAKPSGIGWLWNNZ-GJZGRUSLSA-N 377.441 2.832 0 40 GFAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc(I)c1 222251420 VFDICGXUUGFPGQ-DMTCVQMQSA-N 379.197 2.993 0 40 GFAB O=C(NCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 224352908 KXDIXZPXQVUIIJ-UHFFFAOYSA-N 394.512 2.984 0 40 GFAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223196794 YCCOXEBHBQMTPA-FQEVSTJZSA-N 386.467 2.674 0 40 GFAB C[C@H]1[C@H](C)CCC[C@H]1CN1CN=C(NS(=O)(=O)c2ccc(Cl)cc2)NC1 247902744 ZPGJLPMCWHFEBI-ILXRZTDVSA-N 398.960 2.867 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 257246602 IUVLMJRAYBTUSG-MRXNPFEDSA-N 390.447 2.577 0 40 GFAB CC(C)(C)c1nc(NS(=O)(=O)c2ccnn2CCc2ccccc2)no1 622040320 OKUQFPJCGKWGGP-UHFFFAOYSA-N 375.454 2.607 0 40 GFAB CO[C@H](C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)[C@@H]1CCOC1 668648099 UEXWDABXNCNDRW-PBHICJAKSA-N 384.461 2.986 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390830945 OMJZNOCUFRIASE-OAHLLOKOSA-N 388.420 2.613 0 40 GFAB CCc1nc(S(=O)(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cn1CC1CC1 585098351 PBMJGFKYMUAZBY-OAHLLOKOSA-N 389.477 2.623 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC(O)CC2)C3)cc1F 585104598 RAVUGLDNRRTFMI-IBGZPJMESA-N 390.499 2.602 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1O 72392915 BXZVUYAAYSJJJW-QGZVFWFLSA-N 392.459 2.926 0 40 GFAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 5126512 SUDYCSMXIWIQEK-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)C4=COCCO4)CC3)nc12 5182775 VVRLGFBIFIGREO-UHFFFAOYSA-N 379.869 2.795 0 40 GFAB COC(=O)c1csc(N2N=C3c4ccccc4CC[C@@H]3[C@@]2(O)C(F)(F)F)n1 5275033 IKZKQZJSILBQKE-MEDUHNTESA-N 397.378 2.967 0 40 GFAB COCc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 19291344 GNVPQGISOHOAQN-NRFANRHFSA-N 396.491 2.563 0 40 GFAB O=C(c1ccc(F)cc1)N1CCCc2cc([C@H](O)CN3CCOCC3)ccc21 19332056 ISLOZJLDGBVWKL-OAQYLSRUSA-N 384.451 2.784 0 40 GFAB O=C(c1ccnn1C(F)F)N1CCN(CCOc2ccc(Cl)cc2)CC1 19335975 ZFXZVZSXFJXOIG-UHFFFAOYSA-N 384.814 2.768 0 40 GFAB O=C(CCN1C(=O)CSC1=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 19372883 KAQFQNHDQUHNNL-INIZCTEOSA-N 398.488 2.511 0 40 GFAB CC(C)c1csc(NC(=O)C2CN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19747217 LANPMHPZFIIQKU-UHFFFAOYSA-N 383.470 2.665 0 40 GFAB COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 3871570 ZGLXUQQMLLIKAN-GBLZOACLSA-N 398.411 2.918 0 40 GFAB biogenic,in-vitro COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 6483691 ZGLXUQQMLLIKAN-CJMONDIMSA-N 398.411 2.918 0 40 GFAB biogenic,in-vitro Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCC3)nc2-c2cccs2)on1 12155019 ZVWYLHHDHFUYPL-UHFFFAOYSA-N 384.461 2.994 0 40 GFAB COc1ccc(CC(=O)N2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc1OC 12406586 QYNAWWONKULSTJ-LJQANCHMSA-N 398.503 2.906 0 40 GFAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NCCC1=CCCCC1 4250421 ZRNOCNPGVLSFCX-HNNXBMFYSA-N 397.475 2.794 0 40 GFAB Cc1cccc(NC(=O)CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1 1888929012 FGZBQKMOBOEVFK-UHFFFAOYSA-N 379.451 2.903 0 40 GFAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 1775995392 SHEVXXXWCAIKEV-UHFFFAOYSA-N 387.455 2.922 0 40 GFAB Cc1cccc(O[C@@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)n1 238818680 CBZBAFGCLDSGMD-CYBMUJFWSA-N 396.415 2.680 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cc1 240002249 PQBYHPHYCMDFQP-UHFFFAOYSA-N 390.461 2.543 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCn1cc(-c2ccccc2)cn1 244909722 ASQRLNJCWMISFA-UHFFFAOYSA-N 387.509 2.923 0 40 GFAB O=S(=O)(NCCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 16847284 IRKNOSUPRVGQHG-UHFFFAOYSA-N 388.489 2.579 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4cccc(C)c4)cn(C)c3c2=O)cc1 17052056 FIOFDTOPYQLLCK-UHFFFAOYSA-N 388.427 2.887 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)cn1C 1775969787 LDMMSXANGHOCNT-ZDUSSCGKSA-N 395.506 2.877 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1775973570 KEYKNPOBLUZDLG-KBPBESRZSA-N 393.513 2.737 0 40 GFAB Cc1ccc(CNC(=O)C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 23127419 VSDKQGSMTNHJKK-UHFFFAOYSA-N 379.504 2.640 0 40 GFAB CCCc1cc(=O)n2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c2[nH]1 101275734 PRIUMIUAQFUETG-UHFFFAOYSA-N 378.354 2.924 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225678226 RWZXJNJIDMUPFK-ZDUSSCGKSA-N 379.409 2.741 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](Oc2ccncc2)C1 575612078 JAOJFBDHVDNGAG-KRWDZBQOSA-N 378.498 2.708 0 40 GFAB CSc1nnnn1-c1cccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c1 40155166 UZPOPFNDIIRRGV-INIZCTEOSA-N 380.433 2.840 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cn1C 31668805 HYNXDIUGTBWLNZ-UHFFFAOYSA-N 375.422 2.500 0 40 GFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(OC(F)F)cc1 11260079 AALYBXHEXVJQEU-UHFFFAOYSA-N 393.321 2.560 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)CCn1c(C)csc1=O)N1CCCC1 36767596 XDLQLBUJOMONIC-QGZVFWFLSA-N 389.521 2.570 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 7899829 ZFLMLVFKZLRAEJ-GQCTYLIASA-N 384.457 2.517 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(NS(C)(=O)=O)c1 29163676 ANWMFIPMGFQPHJ-IBGZPJMESA-N 399.472 2.961 0 40 GFAB CCn1nc(-c2ccc(C)c(S(=O)(=O)NC3CC3)c2)c2c(c1=O)CCCC2 46027609 SPEAYFQASVPQAT-UHFFFAOYSA-N 387.505 2.558 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 7957334 TXMLNOLHALXZDD-BBRMVZONSA-N 387.509 2.854 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncnc3sccc23)CC1 1027259 PHMCVGHYXKRBFW-UHFFFAOYSA-N 394.909 2.856 0 40 GFAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 32094149 NTIXBZAMPWLWKP-FOFFECOMSA-N 399.447 2.851 0 40 GFAB CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)S[C@@H](C)C2 4107947 IICMZKVAAQEXDL-ZDUSSCGKSA-N 389.546 2.751 0 40 GFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl 20723391 KYPHERRNSLOWRX-VFZGTOFNSA-N 397.262 2.935 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccccc4C)[C@@H]3C2=O)cc1OC 101418179 NFPGZLIEMWNEFW-ROUUACIJSA-N 380.404 2.506 0 40 GFAB COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)n1 6551910 UGJLUUQHQKOVJZ-UHFFFAOYSA-N 397.479 2.623 0 40 GFAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 6614348 FWGBJVMXFQCRSF-UHFFFAOYSA-N 398.532 2.639 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)N1CCCC1 8560281 HQEYKWKHMUMZTC-OAHLLOKOSA-N 388.489 2.971 0 40 GFAB CC(=O)c1c(F)cccc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 52357484 DDQCDOFYRWUYLV-UHFFFAOYSA-N 381.451 2.740 0 40 GFAB O=C(NS(=O)(=O)N1CCCCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 72015985 LPEMEGQOFQSSCV-OLZOCXBDSA-N 376.400 2.656 0 40 GFAB CCOC(=O)c1ccc(N2CCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)nc1 32825327 ICTKZGJPZAXVHM-AWEZNQCLSA-N 387.484 2.822 0 40 GFAB Cc1cc(Br)c(O)c(C(=O)Nc2ccc(OCC(N)=O)cc2)c1 58006503 DXLPQGHZQJEIRI-UHFFFAOYSA-N 379.210 2.580 0 40 GFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 100165316 NCBMYTSFKJNSSQ-MPGHIAIKSA-N 394.475 2.792 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(N2C(=O)CCCC2=O)cc1 58158170 RLBRLPQXLMAAEL-UHFFFAOYSA-N 381.388 2.781 0 40 GFAB C[C@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(S(C)(=O)=O)cc1 33161824 RAYXXHGHXAIGAG-SGTLLEGYSA-N 390.436 2.600 0 40 GFAB Cc1c(Cl)c(CN2CCN(CC(=O)N3CCCC3)CC2)nc2ccccc12 22130868 FDTWSEPCFLHMAC-UHFFFAOYSA-N 386.927 2.937 0 40 GFAB COc1cc(OC)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 683139 KAZOGCATDZEGKB-UHFFFAOYSA-N 397.431 2.763 0 40 GFAB O=C(c1cc(Br)ccc1OC(F)F)N1CCN2CCC[C@@H]2C1 2789658 QRYYYEGQDVYDTC-LLVKDONJSA-N 375.213 2.971 0 40 GFAB C[C@H](OC(=O)c1sccc1-n1cccc1)C(=O)Nc1sccc1C(N)=O 22888591 DULQSVQVZIBSMD-JTQLQIEISA-N 389.458 2.883 0 40 GFAB Cc1nn(CN2CCN(Cc3ccccn3)CC2)c(=S)n1-c1ccccc1 22847770 LXEHJKUKAABTTH-UHFFFAOYSA-N 380.521 2.882 0 40 GFAB C[C@H](C(=O)/N=c1/sc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1 104278545 IVZCNSVDJGHLIH-ZWEDTICHSA-N 378.450 2.669 0 40 GFAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2c(Cl)cccc2Cl)n1 101590849 NOOZLSAWAGEZOY-DARAHFNDSA-N 392.242 2.905 0 40 GFAB Brc1cccc(C2(NCc3nnnn3C3CC3)CCOCC2)c1 55055652 CMROASVDAHQGIU-UHFFFAOYSA-N 378.274 2.566 0 40 GFAB COc1cc(NC(=O)c2csc(N3CCSCC3)n2)cc(OC)c1OC 12389695 ZDDQUDQRGSZBRO-UHFFFAOYSA-N 395.506 2.974 0 40 GFAB Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 35349305 MOFSTHQFOMTBDF-NRFANRHFSA-N 377.488 2.887 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1 16471862 CIWVVJNFWZIZIB-UXHICEINSA-N 384.501 2.952 0 40 GFAB CCOc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 12533875 VWZJBKZGKNXEMU-UHFFFAOYSA-N 397.518 2.529 0 40 GFAB COc1ccc(OC)c(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 22273144 HGWWQHGFDCSOJO-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCCC[C@H]1CCO 2309388 ZNXHEAYSQHOSII-AWEZNQCLSA-N 391.443 2.659 0 40 GFAB COc1cc(CC(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc(OC)c1OC 12622650 RKEFWAYTWZNHTM-OKILXGFUSA-N 379.453 2.588 0 40 GFAB COc1cc(CC(=O)OCC(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC 3319463 ABVMJUROECPKDE-CQSZACIVSA-N 387.432 2.676 0 40 GFAB O=C(COC(=O)c1cccc(Br)c1)NC(=O)NCc1ccccc1 3377370 BXFSATXXXFPPKL-UHFFFAOYSA-N 391.221 2.632 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1cccs1)c1ccc(Cl)cc1F 3357321 AAAZNDOXNBRMNK-UHFFFAOYSA-N 376.862 2.623 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(OC(F)F)c1 3394446 GAUNWXFLFPJTNT-UHFFFAOYSA-N 379.315 2.870 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 12796351 SAVCMDZCKHQHFP-UHFFFAOYSA-N 399.878 2.855 0 40 GFAB O=C(CCc1ccccc1)NC1CCN(Cn2c(=O)oc3ccccc32)CC1 48289234 FEYANXCWWNNJDA-UHFFFAOYSA-N 379.460 2.765 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccc2ccccc2c1 12892576 BECZTKRULRBZSV-UHFFFAOYSA-N 382.485 2.748 0 40 GFAB Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2cc(F)ccc21 22236414 BXDAEHJLFLZEGF-UHFFFAOYSA-N 383.398 2.779 0 40 GFAB CCCn1nc(C(=O)OCC(=O)NCCC2=CCCCC2)c2ccccc2c1=O 3426756 YXARSLONRPZHSV-UHFFFAOYSA-N 397.475 2.970 0 40 GFAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 3401247 WCLZQLRBQDTONI-SFHVURJKSA-N 383.448 2.577 0 40 GFAB CN1C(=O)C(=O)N(Cc2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C1=O 12926020 JPJPFBUXYYXUKV-UHFFFAOYSA-N 391.427 2.738 0 40 GFAB CN(C)C(=O)[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 12907623 YSOLLABUMFQLLB-RXVVDRJESA-N 396.468 2.988 0 40 GFAB C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1cccc2ccccc12 12946582 GWTUGRCOFNHHMW-ZDUSSCGKSA-N 390.486 2.527 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 3644590 YIWZVKDICYFQPL-GOSISDBHSA-N 390.436 2.820 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 13010750 OVMZPACTBZSPRJ-UHFFFAOYSA-N 394.258 2.995 0 40 GFAB Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 63949620 CWHIPBVBVYQRAF-KRWDZBQOSA-N 397.450 2.653 0 40 GFAB COc1ccc(Cl)cc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 4254410 NHYLKUAICLIXFC-UHFFFAOYSA-N 388.851 2.854 0 40 GFAB CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N2C(=O)CSC2=O)cc1 28283992 FFVIJWHISBSCPU-HUUCEWRRSA-N 382.507 2.534 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)c2cc(C)n(C)c2C)CC1=O 5786334 IRKURLCZQFJBLW-QGZVFWFLSA-N 382.460 2.983 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCCCC(=O)c2ccc(F)cc2)ccc1Cl 7161395 ZYKAJCQDVXUTIY-UHFFFAOYSA-N 399.827 2.946 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc2c(c1)OCO2 8924338 REVIRKKOEDEJIM-UHFFFAOYSA-N 379.416 2.633 0 40 GFAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 9109799 QLAZYYQDXSFFOJ-FQEVSTJZSA-N 383.835 2.910 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 71335157 HRIROBUYCMGIAW-LHSJRXKWSA-N 393.443 2.679 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 408652633 GHVVIDAPTHXZRO-HNNXBMFYSA-N 388.464 2.748 0 40 GFAB Nc1nc(N)nc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 9531364 ZCLYZTPUZZDMEJ-UHFFFAOYSA-N 388.460 2.847 0 40 GFAB Cc1nc2cc(C(=O)N3CCC(NC(N)=O)CC3)ccc2n1-c1ccccc1 72306313 DROPFKYKLISVTH-UHFFFAOYSA-N 377.448 2.607 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1NS(C)(=O)=O 24890034 YRWNJIJFZDVHEC-IBGZPJMESA-N 399.472 2.961 0 40 GFAB CCN(CC)c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cn1 84774503 DTHAQWFJXDQDFE-MPGHIAIKSA-N 391.541 2.592 0 40 GFAB O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cccc(-n2ccnn2)c1 95439542 FBURVCOIBQVNFT-HNNXBMFYSA-N 399.401 2.877 0 40 GFAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)(C)C 78820516 DXXZOPQBLONRCP-FUHWJXTLSA-N 388.508 2.860 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 23646882 BVIGMDZDIYHFLQ-GOSISDBHSA-N 388.489 2.971 0 40 GFAB Cc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 20244578 BXRZJTIIHCRPEP-UHFFFAOYSA-N 375.494 2.863 0 40 GFAB CCNC(=O)c1ccc(C)c(NC(=O)c2cc(C)ccc2NS(C)(=O)=O)c1 60371933 PRYYFDKGYATRAE-UHFFFAOYSA-N 389.477 2.677 0 40 GFAB COc1ccc(N(C)C(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)cc1 408976294 QLTJYKRNFQHJQV-UHFFFAOYSA-N 388.383 2.562 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 67198125 OUJZQKHEVKCJAS-UHFFFAOYSA-N 395.333 2.965 0 40 GFAB CCCc1c(C(=O)N2CC(=O)N(C)[C@H](C)C2)nnn1-c1cccc(C(C)C)c1 506522166 GUZRGXVAFZBURM-OAHLLOKOSA-N 383.496 2.646 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306125711 CZCUDMHFDTWISD-QGZVFWFLSA-N 385.464 2.778 0 40 GFAB COc1c(CNC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)oc2ccccc12 516909979 LBKDRTLXYMKMCK-LJQANCHMSA-N 392.477 2.552 0 40 GFAB COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc2c(Br)cnn2c1 1519574588 FMLZUTDWGFBURF-SJKOYZFVSA-N 394.269 2.949 0 40 GFAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(OC)c2OC)N1 36025436 NTNSELIRIYLDRI-AEFFLSMTSA-N 396.443 2.970 0 40 GFAB biogenic Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1F 33726728 FXYCWRGCHHUSGT-UHFFFAOYSA-N 398.431 2.977 0 40 GFAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1 217473880 OFMMZRJEVNMNMD-UHFFFAOYSA-N 392.477 2.702 0 40 GFAB Cc1nccn1-c1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)ncn1 35598191 YEADSABDIBNLKO-UHFFFAOYSA-N 399.405 2.603 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 38728777 WXFBXUQWINNVBR-SFTDATJTSA-N 391.471 2.733 0 40 GFAB Cc1noc(C2CN(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)C2)n1 559533693 CTYVYUBNXCHCAO-AWEZNQCLSA-N 375.860 2.809 0 40 GFAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816024 XFVDUHNRSRQAOD-CYBMUJFWSA-N 396.418 2.994 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCC1CCN(C(=O)c2ccncc2)CC1 70925953 KABIOEOGMQJFQF-UHFFFAOYSA-N 387.867 2.782 0 40 GFAB CCC(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 72389182 KCNTYWMAWMJYEU-QHCPKHFHSA-N 395.503 2.823 0 40 GFAB COc1ccc(NC(=O)C[C@H](CN2CCN(c3ccccc3)CC2)C(=O)O)cc1 71283626 VSCRDUVTZYWYFJ-QGZVFWFLSA-N 397.475 2.547 0 40 GFAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1 223311631 SBYIFPZILXJEBZ-UHFFFAOYSA-N 398.488 2.865 0 40 GFAB CC(C)[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 225218731 FKDQKBVPQAKPEW-DYVFJYSZSA-N 382.526 2.672 0 40 GFAB COc1ccc([C@H](NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)C(=O)O)cc1Br 563200241 LDERUBUGCOGHSO-NHPAQXRMSA-N 386.242 2.513 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)[C@H](c2ccccc2)CO1 528334383 BEIPJBRMCRKDSF-YPMHNXCESA-N 389.399 2.590 0 40 GFAB CCCc1noc(-c2ccc(-n3ncc(C(=O)N4CCSCC4)c3C)nc2)n1 49420828 PCNYZRPREDBBMJ-UHFFFAOYSA-N 398.492 2.767 0 40 GFAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(F)c(F)c1 224345991 QMZKJKGECQHTHH-UHFFFAOYSA-N 397.451 2.612 0 40 GFAB Cc1ccc(CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223190282 GRFDNKBZNVYEMZ-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951846 PNUGCDLUUUYVGF-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB Cc1cn2c(=O)c(C(=O)Nc3nnc(Cc4ccccc4)s3)cnc2s1 95477783 BBOLKZCMYXRLCP-UHFFFAOYSA-N 383.458 2.759 0 40 GFAB O=C(c1cccc(Cl)c1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240873 FOPKMYSXTZBWNW-QGZVFWFLSA-N 376.884 2.831 0 40 GFAB Cc1nc(-c2noc3ccc(C(=O)NCCCN4CCOCC4)cc23)cs1 96037867 UGDYEHKVXOQOJX-UHFFFAOYSA-N 386.477 2.712 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)CSc4ccc(F)cc4)nnc3c2)n1 238861071 KRDOFRHXSSADFQ-UHFFFAOYSA-N 398.423 2.635 0 40 GFAB O=C(CCCCCn1nnc2ccccc2c1=O)NCc1nc2ccccc2[nH]1 96230717 MEMASYNLSTWTGM-UHFFFAOYSA-N 390.447 2.545 0 40 GFAB Cc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1C 257307725 SZZLBALWNPKHHG-IRXDYDNUSA-N 382.508 2.971 0 40 GFAB O=C(O)c1cc(CN2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)ccc1O 257307568 SZGRJAUJYYGLQD-AWEZNQCLSA-N 379.420 2.650 0 40 GFAB CCOc1ccccc1C=c1sc2nc(-c3ccccc3OC)nn2c1=O 254504912 JAQOIJMHUAVDSK-UHFFFAOYSA-N 379.441 2.773 0 40 GFAB CCCC[C@@H](CC)CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 260841701 BRSYJPDPUQACDW-CRAIPNDOSA-N 382.526 2.855 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CC(Oc3nc4ccccc4s3)C2)c1 90594350 YVMBGWFTJIBMKH-UHFFFAOYSA-N 388.470 2.951 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4cnccn4)CC3)CC2=O)cc1C 90607679 JPTMPLYBOFUJCI-KRWDZBQOSA-N 394.475 2.516 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 13580536 YHKFUNIIOBNDIE-CQSZACIVSA-N 398.500 2.684 0 40 GFAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)[nH]2)c1 14152589 FMJKTXHRAPEAKL-UHFFFAOYSA-N 398.444 2.901 0 40 GFAB COc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 14357081 NNBGRTPDHROINX-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB O=C(Cc1cccc(F)c1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 18108247 GUEKISDIHMWNEG-UHFFFAOYSA-N 390.480 2.859 0 40 GFAB CC(C)(C)CC(=O)N[C@@H](Cc1cc(O)nc(N2CCOCC2)n1)c1ccccc1 19082773 HYIGEILZLFWSIC-SFHVURJKSA-N 398.507 2.855 0 40 GFAB CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)C(C)C)C2)nc1-c1ccc(OC)cc1 19698833 MZCWKHQREBKJIE-OAHLLOKOSA-N 384.480 2.807 0 40 GFAB CCn1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 19710973 OQOJKESJEKFFNS-INIZCTEOSA-N 394.523 2.744 0 40 GFAB CC(=O)c1c(C)nn(CC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1C 12121725 SRHOARLOMGQIGF-UHFFFAOYSA-N 397.475 2.673 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CC1 682378342 FQELXVAVJMDJSF-CABCVRRESA-N 383.514 2.705 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1146921546 JVEGOVGXURQPCD-UHFFFAOYSA-N 381.432 2.590 0 40 GFAB CN(C)c1nc(C2CCN(C(=O)COc3cccnc3)CC2)cn2cccc12 2037838517 LHKXQOWJHSAVTO-UHFFFAOYSA-N 379.464 2.580 0 40 GFAB CC(=O)N1CCC(N2CCCCN(C(C)=O)Cc3ccccc3OCC2)CC1 2037985317 FLLJCBQMZYWOFY-UHFFFAOYSA-N 387.524 2.521 0 40 GFAB COc1ncccc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988754 HDYBJVKYKRQSDQ-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB CN(C(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO)c1ccccc1 12231013 ITQVARQTGFRWJF-UHFFFAOYSA-N 396.418 2.722 0 40 GFAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4ccnc(C(F)(F)F)c4)C[C@H]3O2)n[nH]1 2055772026 RSVQQALVMKVFOC-RAIGVLPGSA-N 381.358 2.519 0 40 GFAB Cc1cc(C)cc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19809748 ZVHFPVLLVIJCMW-FQEVSTJZSA-N 398.503 2.590 0 40 GFAB COC(=O)C1CCN([C@H](c2cccs2)c2sc3ncnn3c2O)CC1 22610145 GUMYVNKPVFQRHW-GFCCVEGCSA-N 378.479 2.532 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)c3cc(-c4ccco4)on3)n2)cc1 49027325 FPELQPLEFYVWRJ-UHFFFAOYSA-N 396.359 2.835 0 40 GFAB COC(=O)c1cn(Cc2cc(C)ccc2C)nc1S(=O)(=O)N1CCCCC1 49402093 XJFVESGVYLFIAV-UHFFFAOYSA-N 391.493 2.509 0 40 GFAB Nc1c(C(=O)[C@@H]2CCCN(C(=O)c3ccccn3)C2)cnn1-c1ccc(F)cc1 19399956 OMSRWZJVECFYJB-CQSZACIVSA-N 393.422 2.724 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19499409 SJERYABBIIQIHU-PMACEKPBSA-N 396.491 2.652 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1nc(C2CC2)cs1 40141919 IBPJZSDZNJVSQH-UHFFFAOYSA-N 376.829 2.911 0 40 GFAB Cn1ncc2c(=O)n(CCC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)cnc21 40117522 FCPOKIMBCWFUHK-IBGZPJMESA-N 397.454 2.707 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100563690 HSVKCNAZNOMLDI-NVXWUHKLSA-N 397.818 2.637 0 40 GFAB Cc1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773626 JPLVILVLGGSVFR-FFZOFVMBSA-N 384.501 2.570 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)CC1 51317679 KNCOVVHOYHRBMN-UHFFFAOYSA-N 391.859 2.580 0 40 GFAB Cc1ccc(NC(=O)c2nnn3c2NC(C(=O)O)=C[C@@H]3c2ccccc2)cc1 101353383 RSWLFTAREAHWCY-MRXNPFEDSA-N 375.388 2.822 0 40 GFAB Cc1ccc2cc(CN(CCO)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 4131611 OSDPOLJDCSQQHC-UHFFFAOYSA-N 395.528 2.748 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303687 XINPLTKQOKCZLO-PAURTPPISA-N 383.828 2.675 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)cc1 8433749 ZMYOMHARERTWCP-UHFFFAOYSA-N 388.464 2.990 0 40 GFAB C/C(=C\C(=O)O)C(=O)Nc1cccc2c(NC(=O)/C(C)=C/C(=O)O)cccc12 8649750 HNFHTVOEORASEX-WGDLNXRISA-N 382.372 2.779 0 40 GFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 8941632 AYSZCDSNTXBHKG-BWACUDIHSA-N 389.418 2.677 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CSc2ccc(F)c(F)c2)cc1 21761510 CAZZFYHPLCLQEI-UHFFFAOYSA-N 380.416 2.974 0 40 GFAB Cc1ccc(N2C(=O)S[C@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1C 2709841 DTPHLHXUTCCPTB-HNNXBMFYSA-N 391.474 2.589 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)CCN2C(C)=O 21932900 HDKNZEDNIOHLSM-UHFFFAOYSA-N 384.432 2.551 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1 9262332 SXQBNRNNCLJEPM-OALUTQOASA-N 393.443 2.798 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)OCc3nnsc3Cl)CC2=O)cc1 22634411 FHQQFJUABOFJEO-SNVBAGLBSA-N 381.841 2.687 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c1C 22804640 PEFWVRRPVDFNKT-UHFFFAOYSA-N 398.482 2.637 0 40 GFAB O=C(c1nc(-c2cccnc2)no1)N1CCN(c2nsc3ccccc23)CC1 12406913 PELJJZPDJMVRLK-UHFFFAOYSA-N 392.444 2.704 0 40 GFAB Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(-c4ccco4)cn23)n(C)c1=O 12427924 PELDGWQBINBCCU-UHFFFAOYSA-N 395.806 2.589 0 40 GFAB COc1ccccc1Nc1ncccc1C(=O)N1CCN(c2cnccn2)CC1 25343149 FIIHMWXGIWBMEE-UHFFFAOYSA-N 390.447 2.586 0 40 GFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@@H]1CCc2c(F)cccc21 56325740 JDSOXTDWFMPLEC-GOSISDBHSA-N 378.407 2.626 0 40 GFAB Cc1nc(CC(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cs1 100145783 AYGBRGPATSGDCE-ROUUACIJSA-N 396.516 2.928 0 40 GFAB Cc1noc2ncc(S(=O)(=O)Nc3cccc(OCCn4cccn4)c3)cc12 58224022 WSWRZVNLWMMSMQ-UHFFFAOYSA-N 399.432 2.608 0 40 GFAB O=C(CN1C=Nc2ccccc2S1(=O)=O)NCC1(c2ccccc2)CCC1 58369675 FVLXPUICZOERJA-UHFFFAOYSA-N 383.473 2.589 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)Nc2cccnc2N2CCCC2)ccn1 48171543 LGYPKYHPQNRYTL-UHFFFAOYSA-N 377.452 2.893 0 40 GFAB CC1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 22246223 YIGIBMRDQZLSMF-FQEVSTJZSA-N 386.517 2.835 0 40 GFAB NC(=O)[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)C1 12798354 UIZOENNTKALHBU-MRXNPFEDSA-N 394.500 2.997 0 40 GFAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(Br)c[nH]1 48232304 XRHQGTCKVGKBAL-HNNXBMFYSA-N 393.237 2.534 0 40 GFAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)NCc1ccccc1 12880375 XTHXTQGBOPYWQI-SPLOXXLWSA-N 396.468 2.864 0 40 GFAB Cc1cc(OCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)ccc1Cl 3487553 CXPRGURGZMAZKY-UHFFFAOYSA-N 391.807 2.616 0 40 GFAB CC(C)NC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2s1 3431365 XMVQSXVAACJYKX-UHFFFAOYSA-N 395.506 2.946 0 40 GFAB CCC(=O)N[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 60305001 OTIVMHHBBOQCKF-INIZCTEOSA-N 380.492 2.800 0 40 GFAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 12942624 IVXCYXYIWRIEAJ-HXUWFJFHSA-N 386.423 2.840 0 40 GFAB O=C(NC1CC1)[C@H]1CCCN1C(=O)COc1ccccc1Cc1ccccc1 13008713 OUPHQUCSMRVUIC-HXUWFJFHSA-N 378.472 2.926 0 40 GFAB O=C(NCCN1CCc2ccccc2C1)NC[C@H]1CCN(c2ccccc2)C1 49132974 NVFIZVXCJUTKPA-LJQANCHMSA-N 378.520 2.870 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc3c(c2)OCO3)cc1 6050378 QVSMBDGAWWXTFD-SFHVURJKSA-N 381.388 2.691 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1N1CCOCC1 14126429 WJLHUBZGCIJIIB-UHFFFAOYSA-N 387.823 2.723 0 40 GFAB O=C(c1cccnc1N1CCCC1)N1CCN(CCOc2ccccc2)CC1 14169570 RYWMIHHQBWFJNI-UHFFFAOYSA-N 380.492 2.519 0 40 GFAB CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1 6590890 OVCPAMPITIRWMK-NRFANRHFSA-N 375.472 2.989 0 40 GFAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@H]2C)C(=O)Nc1sccc1C(N)=O 8484942 UJOSKZOZCKEOMH-VWYCJHECSA-N 388.445 2.915 0 40 GFAB O=c1[nH]c2cc(Br)c(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]1 4727686 YPMRWDALBMPNKU-UHFFFAOYSA-N 386.202 2.559 0 40 GFAB Cc1cc(=O)c(C(=O)NCCN2c3ccccc3C[C@@H]2C)nn1-c1ccccc1 72045576 HUAOVLJRSJNZSG-INIZCTEOSA-N 388.471 2.722 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCC(C)CC2)cc1C 4938303 JYXDKRHMVXHPOV-UHFFFAOYSA-N 382.526 2.663 0 40 GFAB COc1cccc(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)c1 4934517 IHKSMBDSILOIBZ-UHFFFAOYSA-N 385.855 2.543 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCc2ccc(C)cc2)cc1 67198545 AXLMGXDMIMJDHY-UHFFFAOYSA-N 377.444 2.852 0 40 GFAB COc1cccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c1OC 8739177 VDKVLQMBHZZUMQ-CQSZACIVSA-N 377.400 2.928 0 40 GFAB Cc1sc2nc3n(c(=O)c2c1C)Cc1nc2sc(C)c(C)c2c(=O)n1C3 9862519 JBMYPHCSFUNWEI-UHFFFAOYSA-N 384.486 2.873 0 40 GFAB CC(C)c1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)on1 96000215 BRQRNDCIKAQSPL-KRWDZBQOSA-N 391.493 2.522 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1 96114614 NZFJBPWZBRKNKR-SFHVURJKSA-N 392.415 2.626 0 40 GFAB biogenic O=C(NC[C@@H](O)CN1CCCC1=O)c1cc(-c2ccccc2)nc2ccccc12 72311677 OHJVNFFLDZWLPU-QGZVFWFLSA-N 389.455 2.615 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)c1 24361161 ZVZXKMLAUHVKQM-GFCCVEGCSA-N 379.434 2.530 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1F 20801555 ZTHHZNBQGXVEJT-MOPGFXCFSA-N 395.434 2.590 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 408626824 XOOPKAPVJLPTOC-QGZVFWFLSA-N 390.505 2.650 0 40 GFAB O=C(N[C@@H]1CCCn2ncnc21)c1cnc(OCC(F)(F)F)c(Cl)c1 79053625 WKPBLKGWKOKNJD-SNVBAGLBSA-N 375.738 2.533 0 40 GFAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@H](O)COc2ccc(F)cc2)cn1 79048201 VLGLBDYXFDGOMS-HNNXBMFYSA-N 382.457 2.645 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306140345 UQPMFXRNXHBCTO-KRWDZBQOSA-N 385.493 2.711 0 40 GFAB Cc1cc(NC(=O)CCc2c(C)nc3ncnn3c2O)ccc1Br 36569579 LOLHWMNZDFESPC-UHFFFAOYSA-N 390.241 2.781 0 40 GFAB COc1ccc(-c2ccc(=O)n(CN3CCN(c4ccccc4)CC3)n2)cc1 72405048 JRQXKHIYDHKYSK-UHFFFAOYSA-N 376.460 2.699 0 40 GFAB COc1ccc([C@@H](CNC(=O)CSc2ccccc2)N2CCOCC2)cc1 33026012 ZWFSKJRGOLANQL-HXUWFJFHSA-N 386.517 2.977 0 40 GFAB CC(C)c1cccc(-n2cc(O)c(C(=O)N[C@@H](c3nc(=O)o[nH]3)C(C)(C)C)n2)c1 1570626441 IRHQJBBTMCWDJW-INIZCTEOSA-N 399.451 2.895 0 40 GFAB C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccc3c(c1)CN(CC(F)(F)F)C3)CCO2 562624560 IRNAZCLOJUSCRX-UGSOOPFHSA-N 399.413 2.976 0 40 GFAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(Br)o1 224300572 INTWMCOKXGBMIW-UHFFFAOYSA-N 381.230 2.538 0 40 GFAB COc1ccc(C(=O)NCC(C)C)cc1CN(C)S(=O)(=O)c1ccccc1 224765581 YJDZTYMPXBPMAA-UHFFFAOYSA-N 390.505 2.902 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCC2CCCCC2)S(=O)(=O)N(C)C)c1 224188685 UMESKYYTIUSDDY-UHFFFAOYSA-N 381.542 2.613 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 224345223 OQVLNGUREBOJPU-UHFFFAOYSA-N 389.525 2.896 0 40 GFAB CCOc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 225941245 WVZWHNOPCKEVFI-QRWLVFNGSA-N 386.473 2.941 0 40 GFAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1 224486626 LUFVQYMICXPBIX-QAPCUYQASA-N 382.526 2.855 0 40 GFAB COc1ccc(Br)c(C(=O)NCc2nc(-c3cccn3C)no2)c1 225765028 CFIKZQURFHEJPO-UHFFFAOYSA-N 391.225 2.776 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NC[C@H]3COC4(CCCCC4)O3)c2O1 49504152 SGUQFKOVYYQGAT-INIZCTEOSA-N 375.465 2.971 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223611552 GOEMGPGYABENMQ-OALUTQOASA-N 382.489 2.879 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)ccc1C 225180076 YKCOSHNDIOTEQZ-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223590005 ATCYWAYTIUMSSZ-MSOLQXFVSA-N 399.907 2.886 0 40 GFAB Cc1cc([C@@H]2CCCN2CCc2cn(CC(=O)O)nn2)ccc1Br 574578139 LLXOOHAIONEQMN-INIZCTEOSA-N 393.285 2.813 0 40 GFAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 97000724 SHDMJXQZJJHUIO-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCCN2CCCC2)[C@@H]1c1cccc(OC)c1 257206847 BFCNCWARPWVYAP-CTNGQTDRSA-N 387.524 2.597 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)n1 253471870 GHGUQDKSRBBMDW-LBPRGKRZSA-N 377.422 2.525 0 40 GFAB C[C@@H](NC(=O)c1ccnc2c1ncn2C)c1cc(F)ccc1N1CCC(O)CC1 585083064 MLKKVNBSRLPNCJ-CYBMUJFWSA-N 397.454 2.560 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](c1csc2ccccc12)N(C)C 618257448 WMDMVBGZDQNGKE-MRXNPFEDSA-N 392.550 2.833 0 40 GFAB CN(CC(=O)O)C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCO1 263493499 PSZHYUCNBIYQPT-LJQANCHMSA-N 383.448 2.603 0 40 GFAB CC(C)Oc1ccc(NC(=O)NCc2ccc([S@@](C)=O)cc2)cc1C(N)=O 619540300 DSPPISPFCZKLCC-HHHXNRCGSA-N 389.477 2.632 0 40 GFAB O=C(NCCc1csc(N2CCCC2)n1)N[C@@H]1CCO[C@H]1c1cccnc1 623131610 GMJMGLWLZRWEFW-SJORKVTESA-N 387.509 2.510 0 40 GFAB C[C@H](NC(=O)c1cn2ccccc2n1)c1cc(F)ccc1N1CCN(C)CC1 624647146 IIHDXYJMHPTYFU-HNNXBMFYSA-N 381.455 2.716 0 40 GFAB O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)C1CCN(C(=O)N2CCCC2)CC1 630327519 KOFDFWUSZFULSD-ZWKOTPCHSA-N 385.464 2.741 0 40 GFAB CC(C)(O)C1CN(C(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)C1 648872072 NHCZPTZVTDTHFO-UHFFFAOYSA-N 377.847 2.996 0 40 GFAB Cn1ncc2c1CC(C)(C)CN(C(=O)NCc1cc3ccccc3n(C)c1=O)C2 663212259 KXZXKKJSUFVISD-UHFFFAOYSA-N 393.491 2.566 0 40 GFAB COc1ccc(Cl)cc1NC(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 390828469 RAZKXVAMKBJDOE-AWEZNQCLSA-N 378.812 2.975 0 40 GFAB O=C(c1ccc2nccnc2c1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96372270 FDXLWSLVVCPTOR-UHFFFAOYSA-N 381.457 2.708 0 40 GFAB COCCN(C[C@H]1CC2(CCN(C(=O)c3ccc(O)cc3)CC2)CO1)C(C)C 585103459 GKVZKSLAZRZLDP-HXUWFJFHSA-N 390.524 2.760 0 40 GFAB Cc1nc2ccccc2n1C1CN(S(=O)(=O)c2cccc3nsnc23)C1 1775974135 LSENYSSURVNYLL-UHFFFAOYSA-N 385.474 2.595 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2F)cc1 5000192 VJALGMCAAXBZTK-KDOFPFPSSA-N 387.411 2.830 0 40 GFAB CN(C)c1ncc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cn1 12113894 KSEWRUCUHASFHA-UHFFFAOYSA-N 389.419 2.593 0 40 GFAB Cc1noc(C)c1CC(=O)N[C@H]1CC(C)(C)Cc2nc(-c3cnccn3)ncc21 12259059 GDQOWRLDMIBDOG-INIZCTEOSA-N 392.463 2.911 0 40 GFAB COc1ccc2[nH]c(C(=O)NCCCC(=O)Nc3nccs3)cc2c1OC 12409817 DRZYGFDVFWYWGR-UHFFFAOYSA-N 388.449 2.790 0 40 GFAB COc1cccc(N2CCN(c3nc(-c4ccccc4OC)cc(=O)[nH]3)CC2)c1 14608503 YBTHDDZWNWVKFX-UHFFFAOYSA-N 392.459 2.781 0 40 GFAB COc1ccc(OC)c(/C=c2/sc3nnc(-c4ccc(C)cc4)n3c2=O)c1 15015199 OOOUYPCEZZQFBJ-GZTJUZNOSA-N 379.441 2.691 0 40 GFAB O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(Cc2ccc(F)cc2)C1 15674976 YYKRNBZIUWVQOJ-CVEARBPZSA-N 383.379 2.912 0 40 GFAB biogenic,in-vitro COc1cccc(CN2CCN(Cc3ccnc(N4CCCC4)n3)[C@@H](C)C2)c1 19575660 OAHQLKSQTVPPJK-SFHVURJKSA-N 381.524 2.792 0 40 GFAB CN(C[C@H]1OCCc2ccccc21)C(=O)COC[C@@H]1COc2ccccc2O1 19586052 LVMHINAQNHCGMV-DYESRHJHSA-N 383.444 2.615 0 40 GFAB COCC(=O)N1CC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19705043 OJYNCTJOGBFYPV-AWEZNQCLSA-N 383.427 2.671 0 40 GFAB COc1cccc2cc(CN3CCC[C@H](c4nnc5n4CCNCC5)C3)oc12 19709362 LOSDNVLBUCQWIC-INIZCTEOSA-N 381.480 2.558 0 40 GFAB COc1ccc(CC(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)cc1 12225616 GKHYNSMSCTWLFM-UHFFFAOYSA-N 394.471 2.730 0 40 GFAB COc1cnc(C(=O)N2CCC[C@]3(CCCN(Cc4cccc(C)n4)C3)C2)cn1 2056224696 PZXGXGOAKBQAFL-QFIPXVFZSA-N 395.507 2.707 0 40 GFAB c1ccc(-c2ccnc(N3CCN(c4nc5cnccc5s4)CC3)n2)nc1 2087048791 BKJHAXHQAXEBOE-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB COC(=O)[C@@H]1C[C@@H](N(C)Cc2ccccc2)CCN1C(=O)c1cc(C2CC2)on1 1565547649 RCCFWIAFLSFPRU-HKUYNNGSSA-N 397.475 2.830 0 40 GFAB COc1ccc(NC(=O)c2cnc(SCc3ccccn3)n(C)c2=O)cc1 4272804 JNJCIBMLUBWSBT-UHFFFAOYSA-N 382.445 2.729 0 40 GFAB CCCCc1nc(SCc2ccccc2F)c2c(=O)n(C)c(=O)n(C)c2n1 4341244 LTSINMPJQHFLNV-UHFFFAOYSA-N 388.468 2.801 0 40 GFAB COc1cc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc(OC)c1 19678594 KLVRQVPJTIWJIW-UHFFFAOYSA-N 379.372 2.799 0 40 GFAB CN1CCN([C@@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577419 KLACMLBEQTVDBV-AWEZNQCLSA-N 385.449 2.686 0 40 GFAB O=C(OC1CCOCC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 585399414 POQOZLNHMVXSMR-MRXNPFEDSA-N 387.885 2.817 0 40 GFAB COc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)N(C(C)=O)c2ccccc23)cc1 12416899 WSJNHNSFWHJOLK-ODXCJYRJSA-N 382.441 2.910 0 40 GFAB COC(=O)c1nn(Cc2nnc(-c3ccc(C)cc3)o2)c(=O)c2ccccc12 30952931 XQLORSMGHMREIR-UHFFFAOYSA-N 376.372 2.590 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)CCCNC(=O)c3ccc(F)cc3F)cc12 30805366 JBUWAQBDMOFVJK-UHFFFAOYSA-N 387.390 2.704 0 40 GFAB CC1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Br)CC1 8121891 GMKMDDMAKIRAEH-UHFFFAOYSA-N 382.302 2.578 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@H]1c1nnc2n1CCCCC2 45744096 WWSKPTFCBNGQLX-AWEZNQCLSA-N 382.436 2.809 0 40 GFAB COc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1Cl 794846 JNYFYRLBJURWIM-UHFFFAOYSA-N 398.810 2.969 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)no1 905380 NGAPVWPBIPMILI-GFCCVEGCSA-N 389.437 2.744 0 40 GFAB CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)ccc1O 16806391 WJKUGYCYYBNIGN-IBGZPJMESA-N 395.411 2.825 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1OC 20734535 BJMFYMUCKWWNGA-UTKZUKDTSA-N 382.460 2.582 0 40 GFAB biogenic COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)CSC)C2)C3)cc1 4237365 XXBYWTXEYLJQHG-GOEBONIOSA-N 384.501 2.833 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 6545452 OLCVLYGDBRKGAP-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB CN1C(C(=O)Nc2ccc(F)cc2F)=CC(c2cccs2)=NS1(=O)=O 6800388 DMIGDCGBBANEKB-UHFFFAOYSA-N 383.401 2.528 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)CC1 104346205 YQYRLGZGFMXYQL-INIZCTEOSA-N 378.856 2.555 0 40 GFAB C[C@H](NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 102219831 UVTIJLMNERWMCM-LUKYLMHMSA-N 375.513 2.962 0 40 GFAB Cc1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1Br 8750084 PIRXHAFCFDCAKX-UHFFFAOYSA-N 391.221 2.855 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nnc(C2CCCCC2)s1 102114999 DTEHCKUCHYNKHI-OKILXGFUSA-N 388.493 2.866 0 40 GFAB COc1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]c2nc4ccccc4n32)c(OC)c1 12323985 BUDYWEBGQJETKH-CYBMUJFWSA-N 390.399 2.667 0 40 GFAB CN(C)C(=O)Cc1nc(CN2CCC[C@@H](CN3CCCCCC3)C2)cs1 104959793 XMYQRLNOCURIAC-KRWDZBQOSA-N 378.586 2.862 0 40 GFAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n2)cc1 23873102 IOCPSPISVSNQFO-FQEVSTJZSA-N 378.388 2.712 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3ccccc3n2)C1=O 23946260 FRQZOHPLJSOZCK-JOCHJYFZSA-N 388.427 2.823 0 40 GFAB CCSc1ncc2c(=O)n([C@H](CC)C(=O)N3CCC(C)CC3)cnc2n1 20572908 DQEMHZUVDGRVPS-CQSZACIVSA-N 375.498 2.508 0 40 GFAB C[C@H](C(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)n1cncn1 24576338 NIJVLSHFOFMHLG-AYJWMTRPSA-N 397.460 2.890 0 40 GFAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(F)c(F)c1 51316913 KXDMQQMMWJXWCU-UHFFFAOYSA-N 399.332 2.614 0 40 GFAB CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C(C)=O)CC3)ccc21 34852218 VNNPXBFNLOKSKJ-UHFFFAOYSA-N 378.476 2.917 0 40 GFAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1986379 IOQZQRMBYOPADV-WMZOPIPTSA-N 380.444 2.914 0 40 GFAB COc1cccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)c1 28250875 UKOGDRYAJGAQFA-HNNXBMFYSA-N 396.468 2.827 0 40 GFAB COc1ccc(NC(=O)[C@H](C)n2ncc(-c3ccc(OC)cc3)nc2=O)cc1 44804255 QBQLWFASYSXJCV-ZDUSSCGKSA-N 380.404 2.522 0 40 GFAB COc1cccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 8312131 FRADDVRMISEDBC-MRXNPFEDSA-N 398.459 2.724 0 40 GFAB O=C(Cn1nnc(-c2cccs2)n1)N1N=C(c2ccco2)C[C@H]1c1ccco1 8342043 CJULLVJVIVPKLX-ZDUSSCGKSA-N 394.416 2.966 0 40 GFAB C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 2420288 LZDWORRQIIONQK-ZIAGYGMSSA-N 397.880 2.916 0 40 GFAB Cc1cc(OCC(=O)NCC(=O)O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 2433398 PLAVYWKNFBQIBZ-UHFFFAOYSA-N 395.411 2.580 0 40 GFAB CCN1C[C@@H](C(=O)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)CC1=O 48281030 LAUMMZCCDHMKTO-LBPRGKRZSA-N 375.425 2.946 0 40 GFAB COc1cccc(C[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)n2nnnc2C)c1 48287512 OPHREFYBUXHJFQ-GOEBONIOSA-N 397.401 2.575 0 40 GFAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O 12968031 SFNPOEOEPGWEKC-LBPRGKRZSA-N 389.429 2.538 0 40 GFAB Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 17186426 UWMHSMOIZHTWEF-UHFFFAOYSA-N 394.880 2.501 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4085115 WIFMASPOFKHPPC-KEAXFYSCSA-N 376.478 2.651 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(=O)[nH]c3)cc2)cc1 13682858 FJLGDYDPROFCCQ-UHFFFAOYSA-N 398.440 2.728 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 306126819 FGBOWWCWZXPYSO-IFMALSPDSA-N 396.491 2.891 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 4682216 ZZZKTVAFIHDBMD-UHFFFAOYSA-N 382.526 2.981 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2)c1 6649541 BSEFYZKXLOCGMU-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc(OC)c1OC 6755230 VFGDNZVLWFMRTQ-MRXNPFEDSA-N 394.493 2.704 0 40 GFAB COc1ccc(NC(=O)COc2cc(C(C)=O)ccc2NC(C)=O)cc1OC 8884357 VCDXWBLLGJAMJS-UHFFFAOYSA-N 386.404 2.882 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(Br)cc1 15050560 RTTKIMKTLQXGHU-VIFPVBQESA-N 382.287 2.740 0 40 GFAB CN(C(=O)CSc1nc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 5971867 IKABTDQRCILVIN-ZDUSSCGKSA-N 382.532 2.548 0 40 GFAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C 5992164 OFYQTUKONXURFI-HNNXBMFYSA-N 389.473 2.982 0 40 GFAB CCn1nc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O 15433611 OVXVIISMTYHFRL-UHFFFAOYSA-N 380.423 2.518 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)CSc2nc3cc(Cl)ccc3o2)c1 7779927 JQMAXIQVTXXFTC-UHFFFAOYSA-N 397.865 2.859 0 40 GFAB CNc1snc(C)c1C(=O)OCC(=O)N[C@@H](C)c1cc(OC)ccc1OC 16553620 IEETYUKYZFCJTB-JTQLQIEISA-N 393.465 2.545 0 40 GFAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 9358164 TYHZKRJCWFNMQA-QFIPXVFZSA-N 381.476 2.943 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)NC3CCCC3)CCC2=O)c1 9397534 CPRQYACUYADFDF-OAHLLOKOSA-N 385.464 2.777 0 40 GFAB COc1cc(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc(OC)c1OC 21601105 JEAVVMYPBYHSCC-NSHDSACASA-N 386.404 2.613 0 40 GFAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCN(C)CC2)cc1 19810338 CXMFNJVTQHIYCS-UHFFFAOYSA-N 387.867 2.989 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CC=C(c2ccccc2)CC1 9500487 QZMYTEUYUDUYOS-UHFFFAOYSA-N 381.476 2.947 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)c1c(C)noc1C 72308947 IQPYZBZEYNRLLI-UHFFFAOYSA-N 381.480 2.906 0 40 GFAB CCOC(=O)CN(CC)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 84765646 GMKQDZUISYKWMD-UHFFFAOYSA-N 389.473 2.686 0 40 GFAB COc1cccc(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)c1OC 79481963 VDUIFBILXOVMTI-UHFFFAOYSA-N 383.408 2.582 0 40 GFAB O=C(NCCc1nc(-c2ccccc2)cs1)[C@H](c1ccccc1)n1cnnn1 79492555 ZPEOHKOVEGGQCA-IBGZPJMESA-N 390.472 2.745 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(-c4csc(C)n4)o3)CC2=O)c1 56904293 BWTUWMMXRRJHFO-LLVKDONJSA-N 399.432 2.502 0 40 GFAB Cc1ccccc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O 409027327 AFYRUZVRHUCUNK-UHFFFAOYSA-N 384.567 2.943 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 210838222 YMYHTAFHXGIEIN-MHWRWJLKSA-N 395.415 2.544 0 40 GFAB Cc1cc(Nc2cc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)nc(C)n2)[nH]n1 72360853 SWRXHCVAZFDEFS-QGZVFWFLSA-N 397.527 2.608 0 40 GFAB O=C1NCCN1c1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)ccc1Cl 568051221 PQYJMENKJVIPLE-NVXWUHKLSA-N 385.851 2.818 0 40 GFAB COc1ccccc1OCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 224406529 ODRZQBVQBZBNRT-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB COc1cccc([C@H](CNC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)N(C)C)c1 47681728 XXLWZPKHPDCLJA-FBZGKKRMSA-N 395.503 2.632 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 223690261 JGWDVITWATZPMJ-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(N)=O)C1 257344162 ZWAAFFKYQSBLLI-IBGZPJMESA-N 391.468 2.767 0 40 GFAB CCN1CCN(c2ccc(CNC(=O)NCc3ccc4occc4c3)cn2)CC1 660351060 PZWZWSMLWILRDJ-UHFFFAOYSA-N 393.491 2.969 0 40 GFAB O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1CCS(=O)(=O)c2ccccc21 672702932 PFUSRWUWPHYBHQ-MRXNPFEDSA-N 385.489 2.721 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCO2 90607256 NJLXDWURLSHHQF-SFHVURJKSA-N 394.924 2.997 0 40 GFAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(Cl)s1 585147745 WQDLWLSOQJAKOD-UHFFFAOYSA-N 397.909 2.865 0 40 GFAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc(C)c(C)o4)CC3)[C@H]2C1 585106244 ZATBMMSMDQQSQN-OLMNPRSZSA-N 387.524 2.595 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 585183622 PLFGYWXOZLLJIM-QFIPXVFZSA-N 393.531 2.860 0 40 GFAB COc1cc(CCO)ccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 683906279 PTPDJVPQTVROQI-UHFFFAOYSA-N 382.460 2.721 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O 8088294 MHIGJYMFELMMBU-LFIBNONCSA-N 394.387 2.689 0 40 GFAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1 5549379 WWTDTSSBERBOIU-OAHLLOKOSA-N 386.835 2.870 0 40 GFAB CCc1nn(CC(=O)N[C@H](C)c2ccncc2)c(=O)c2cc3ccsc3n12 12117612 ZRYBKHRDGVKBSS-GFCCVEGCSA-N 381.461 2.546 0 40 GFAB Cc1cc2nc(C3CCN(C(=O)c4cc[nH]n4)CC3)cc(C(F)(F)F)n2n1 12221542 XAZGZGXATQOPAY-UHFFFAOYSA-N 378.358 2.799 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1OC 13680265 HAAMJIZINLUDEU-UHFFFAOYSA-N 384.841 2.518 0 40 GFAB COc1cc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)ccc1OC(F)F 14152877 HGCOSUONUPRTMV-UHFFFAOYSA-N 392.280 2.624 0 40 GFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 15372544 ZENWIKCCSXQRIE-UHFFFAOYSA-N 382.869 2.907 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1F 16188444 ZHTWPPMFDUKDBG-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB O=C(C1CCC1)N1CCc2c(nc([C@@H]3CCN(Cc4cccs4)C3)[nH]c2=O)C1 19343392 FADMKYRVQMEWAR-OAHLLOKOSA-N 398.532 2.506 0 40 GFAB CN1CCCc2ccc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)cc21 19718158 PPAOHXDHNNTELH-UHFFFAOYSA-N 392.459 2.773 0 40 GFAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)c3cnc(C)nc3C)CC2)c1 19749870 FIVUFMCDKZMAHC-GOSISDBHSA-N 396.491 2.869 0 40 GFAB CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929582 WVVISLXHTYNPSD-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB CN1C[C@@H](C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)CC1=O 12087451 LCNRGMJIUROXKJ-INIZCTEOSA-N 397.523 2.729 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)o1 12748782 WHYCVRYNNMGUPK-HNNXBMFYSA-N 378.432 2.958 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)nn1C 19709182 YKCGMZBHGPXDQE-IBGZPJMESA-N 376.526 2.539 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(=O)c2ccccc2o1 3530065 SLOBZYVXOXSXRQ-UHFFFAOYSA-N 397.383 2.954 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 4916364 XJJWCGXNUXFOSM-NSHDSACASA-N 392.839 2.801 0 40 GFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC(=O)NC1CCCCC1 6933376 WIQQJIYWHLEDGP-UHFFFAOYSA-N 379.766 2.679 0 40 GFAB CN1CCC(C)(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 2037841172 ZAXLNTRKRIJHIU-QHCPKHFHSA-N 399.535 2.533 0 40 GFAB O=C1COC[C@@]2(CN(Cc3c(F)cccc3F)CCO2)CN1c1ccccc1 2037983816 HFRKKKNRYXTCQP-OAQYLSRUSA-N 388.414 2.599 0 40 GFAB CO[C@H]1CC[C@@H]([C@H]2OC[C@@H]3[C@H]([C@H]4CC[C@@H](OC)[C@H](OC)C4)OC[C@H]32)C[C@H]1OC 2061000833 WWYKFTBJMONEJG-BGIGUVBCSA-N 398.540 2.677 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccccc1 4165882 SHUDORYQTDVMAH-UHFFFAOYSA-N 379.807 2.874 0 40 GFAB Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1 4496469 ZLIXNKKJMVRKGN-UHFFFAOYSA-N 375.519 2.874 0 40 GFAB CC(=O)Nc1ccc(SCCCC(=O)Nc2ccc3c(c2)OCCO3)nn1 11793341 SNJJOBBHFVQSJL-UHFFFAOYSA-N 388.449 2.717 0 40 GFAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 17011539 MEMOHDIVHNHVLC-MRXNPFEDSA-N 391.493 2.692 0 40 GFAB Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)on1 23128102 OGHUDCRCRQQACY-UHFFFAOYSA-N 390.440 2.711 0 40 GFAB CN(C)c1nc2ncnc(SCC(=O)Nc3ccc4c(c3)OCO4)c2s1 35483670 WHJYTJHHDKBRNH-UHFFFAOYSA-N 389.462 2.612 0 40 GFAB O=S(=O)(NC[C@@H](c1ccsc1)n1cccn1)c1cccc2nsnc12 575614400 RMIDAICHCNRNRG-ZDUSSCGKSA-N 391.503 2.517 0 40 GFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148918 KOHVDPRSGLIPDP-CQSZACIVSA-N 387.486 2.804 0 40 GFAB CCOc1ccc(OCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 40001108 MEDXSXGWRGWSAT-INIZCTEOSA-N 380.448 2.913 0 40 GFAB O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc[n+]([O-])c1 40112603 RSGKJVPIQYMXIY-IBGZPJMESA-N 379.485 2.911 0 40 GFAB COc1c(C)cnc(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1C 50448864 RTWWGVHWKGMRCQ-UHFFFAOYSA-N 396.422 2.630 0 40 GFAB COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NC[C@H]2CCCO2)cc1 4889893 MWEQCFWBMURFCJ-NVXWUHKLSA-N 375.446 2.950 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1 6231489 ONWATCFQROBGHG-UHFFFAOYSA-N 395.419 2.637 0 40 GFAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)cc1 32755265 CHJWVIHKTYKXBH-UHFFFAOYSA-N 383.491 2.660 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 10008547 GWFIFMVUJPCBKO-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 7738655 CANPLOCXOFBTPX-OAHLLOKOSA-N 393.443 2.544 0 40 GFAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(N2CCOCC2)nc1 32873597 SJOYUJCNNVDSCT-UHFFFAOYSA-N 385.449 2.601 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 8039331 QIOUUZGBUNFGFZ-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cccc(F)c1 8169432 RWOIJUNFZAYGGG-UHFFFAOYSA-N 382.482 2.500 0 40 GFAB CCSc1ncc(Br)c(Sc2nc(N)nc3[nH]cnc23)n1 8615349 XEKFXTFUGWUZSY-UHFFFAOYSA-N 384.288 2.751 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 32895158 RLKYNGICCFHNME-INIZCTEOSA-N 379.416 2.918 0 40 GFAB CCOC(=O)CN(CC(C)C)C(=O)CCc1nc(-c2ccc(F)cc2)no1 58103449 MOUOKLFDDRZTCW-UHFFFAOYSA-N 377.416 2.856 0 40 GFAB Cc1cccc(C(=O)N[C@H](C(=O)NC[C@H]2COc3ccccc3O2)C(C)C)c1 21873007 MKFABUVPCFUWRK-PXNSSMCTSA-N 382.460 2.706 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C 22120039 NCSIVLXIDSMACT-UHFFFAOYSA-N 398.415 2.585 0 40 GFAB COc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 23105908 DUKLBPDWVYKVSG-OAQYLSRUSA-N 384.476 2.572 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cn1 47275930 DGYYFAVQDAXYGI-OAHLLOKOSA-N 379.420 2.660 0 40 GFAB COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 1010596 FPEKMONGJKUQQK-INIZCTEOSA-N 380.400 2.723 0 40 GFAB CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc(Br)o3)cc2C1=O 3178341 WZUDLPWLSVZYLX-QPJJXVBHSA-N 375.178 2.920 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 25091531 DKXOQWRZQSLMGG-GASCZTMLSA-N 378.428 2.732 0 40 GFAB COc1ccc(OCCOC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 7990005 BLTUHGCKGOKYMC-UHFFFAOYSA-N 378.446 2.790 0 40 GFAB COc1ccccc1NC(=O)C(=O)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 20059997 YWVYJLXJWXUIBT-GTNSWQLSSA-N 399.369 2.663 0 40 GFAB CC(=O)Oc1ccccc1C(=O)OCc1nc(-c2ccc3c(c2)OCO3)no1 57476995 NBWQDLUQIRQGOL-UHFFFAOYSA-N 382.328 2.748 0 40 GFAB CCOC(=O)CCC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 26773587 FCJCGDNNONRXKX-UHFFFAOYSA-N 389.477 2.929 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)[C@@H]1C 61916055 JDPIQTJSTHWUOZ-GNSPCKGOSA-N 396.491 2.572 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1nnc(C)s1)C(F)(F)F 2050070 BWULONIMNSSXFO-CQSZACIVSA-N 388.371 2.510 0 40 GFAB CN(Cc1ccccc1Br)C(=O)Cn1c(=O)cnc2ccccc21 20910026 DVUPNDPNZZIXQC-UHFFFAOYSA-N 386.249 2.818 0 40 GFAB O=C(COC(=O)COc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F 3237351 CZHAVEPOLTXETG-UHFFFAOYSA-N 375.249 2.943 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccccn2)s1 58225205 DRYHZTAYWNWHSX-LBPRGKRZSA-N 379.507 2.694 0 40 GFAB CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)O)cc2oc1=O 2140387 TXSQKMQJUAWGSO-UHFFFAOYSA-N 375.421 2.804 0 40 GFAB biogenic O=C(COC(=O)CCC(=O)c1ccccc1)NC(=O)NCCC1=CCCCC1 26504947 BXAFFDDYVXVZNQ-UHFFFAOYSA-N 386.448 2.909 0 40 GFAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCCOc1ccccc1 409378605 QINGNVQKVOOTSR-KRWDZBQOSA-N 394.431 2.719 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(Cc4ccncc4)CC3)c12 28694183 UNPWEFWYQWCZTK-UHFFFAOYSA-N 377.448 2.762 0 40 GFAB COc1ccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22381040 ONYNEWQAXALEPF-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1c(F)cccc1F 12768141 IJEFOQPJPLGQKM-UHFFFAOYSA-N 387.430 2.932 0 40 GFAB O=C(Cc1ccc(-n2cccc2)cc1)NCCS(=O)(=O)Cc1ccccc1 48263982 DMRJAMPXIWNRGC-UHFFFAOYSA-N 382.485 2.751 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)N(C)C)cc1 8037416 FUKVAQIGZHSSLX-JXFKEZNVSA-N 399.466 2.606 0 40 GFAB CN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cn2)CC1 12926784 JQKJFVNIMZILQT-UHFFFAOYSA-N 394.504 2.533 0 40 GFAB C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1cccc2ccccc12 12946579 GWTUGRCOFNHHMW-CYBMUJFWSA-N 390.486 2.527 0 40 GFAB CC(=O)N1CCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)CC1 8146922 DHLCTECNAWPBHJ-UHFFFAOYSA-N 379.489 2.911 0 40 GFAB O=C(NCCC(=O)N1CCCc2ccccc21)c1cc2ccccc2oc1=O 49383164 NAMJBIGOGMDVHX-UHFFFAOYSA-N 376.412 2.892 0 40 GFAB O=C(CN1CCC(C(=O)NC2CCCCC2)CC1)NCCc1ccc(F)cc1 65495944 UWYZVRVJIPYBFY-UHFFFAOYSA-N 389.515 2.645 0 40 GFAB COc1cccc(CNC(=O)Cc2c(C)c3cc(OC)c(OC)cc3oc2=O)c1 4742521 XKKRJXQHLHEPJQ-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB COCCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 4857185 ZINSVEOAAONWMS-UHFFFAOYSA-N 379.420 2.574 0 40 GFAB Cc1ccc(OCC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)cc1C 4860214 KWBOXNVFUSLSED-SFHVURJKSA-N 393.365 2.965 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 4836406 YPTTUOOCBMCHIJ-SOFGYWHQSA-N 399.399 2.976 0 40 GFAB Cc1ccc(NC(=O)COC(=O)Cc2csc(N3CCCC3=O)n2)cc1C 6850627 YGMKPOZOYFMRKP-UHFFFAOYSA-N 387.461 2.611 0 40 GFAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1 409057018 GDQDXBILACAHPI-UGYRXPJGSA-O 388.422 2.842 0 40 GFAB COc1cccc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1 6811024 IIDDDFYSKGTXBT-MRXNPFEDSA-N 377.437 2.664 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1Cl 15583858 JKZUNKASLFYNMX-UHFFFAOYSA-N 395.864 2.591 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1C 7284289 ARHXWUHWUMEATG-UHFFFAOYSA-N 397.500 2.931 0 40 GFAB Cc1ccc(NCc2nc(-c3cccs3)no2)cc1S(=O)(=O)N(C)C 8720632 LBWXTPQTDGARSS-UHFFFAOYSA-N 378.479 2.969 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21 15781461 OLYQHGIQYQKEEW-UHFFFAOYSA-N 398.481 2.729 0 40 GFAB CCOc1ccc(C(=O)N2CCC(NC(=O)COc3ccccc3)CC2)cc1 8936475 NWMDQCPZYRKIET-UHFFFAOYSA-N 382.460 2.885 0 40 GFAB O=C(c1noc2c1CCCC2)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005066 MKEICWUEMVRQIA-OAHLLOKOSA-N 389.477 2.600 0 40 GFAB Cc1ccccc1-n1ccnc1SCC(=O)NCc1nnc2ccccn12 9366913 FVNMMERYYJPULC-UHFFFAOYSA-N 378.461 2.632 0 40 GFAB Cc1ccccc1N1C(=O)N[C@](NC(=O)c2cccs2)(C(F)(F)F)C1=O 9419325 LYJHYUVORACEDN-HNNXBMFYSA-N 383.351 2.801 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1ccc(F)c(F)c1 9420307 KKFQYGZCVSNQLL-KRWDZBQOSA-N 387.386 2.847 0 40 GFAB COc1ccc(CC(=O)NO[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1OC 72281168 RQRWEMLDODIJIC-CQSZACIVSA-N 398.459 2.810 0 40 GFAB O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CCOC[C@@H]1CCO 95460927 APAJZZGIFKXYSL-AWEZNQCLSA-N 385.917 2.508 0 40 GFAB Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 95965504 SNNOXTFWVRZQBB-YJBOKZPZSA-N 379.526 2.736 0 40 GFAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1cnn(C[C@@H]2CCCO2)c1 95953962 AHZPDHNAPMLNTR-IBGZPJMESA-N 384.480 2.932 0 40 GFAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@]4(C)CCCO4)CC3)n2)cc1 79069368 NGVUQOOYEXFFPL-KKSFZXQISA-N 384.480 2.819 0 40 GFAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCCc2ccccc21 20013218 LGPJUVNRGQJWMN-FQEVSTJZSA-N 386.517 2.685 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C(=O)N1CCOCC1 408626707 VYSQFWYJRQCTDB-UHFFFAOYSA-N 396.415 2.546 0 40 GFAB Cc1c(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)sc2cccc(F)c12 60126835 FVBQSELBDVDGNO-UHFFFAOYSA-N 384.498 2.845 0 40 GFAB CCCNC(=O)[C@H]1CN(C(=O)COc2cccc(C(C)=O)c2)c2ccccc2O1 32678559 MAHARJMILHFHIE-HXUWFJFHSA-N 396.443 2.588 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NCc3ccccc3)CC2=O)cc1C 409124412 HMBVWVULUBBBPV-GOSISDBHSA-N 380.444 2.516 0 40 GFAB Fc1ccc(-c2cc3nc4c(c(NCCN5CCOCC5)n3n2)CCC4)cc1 35314343 LEHGVHWLIXSGBQ-UHFFFAOYSA-N 381.455 2.768 0 40 GFAB COc1ccc(CN2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1OC 72390794 PRKRVFXCUNVUGL-IBGZPJMESA-N 396.491 2.736 0 40 GFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220114902 MXXKGBSULZEQIN-MRXNPFEDSA-N 390.505 2.817 0 40 GFAB COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@H]1C3 40836073 DBEYVIGIPJSTOR-CEXWTWQISA-N 379.460 2.942 0 40 GFAB biogenic,in-vitro CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224844173 HQULSRFVJKYYDV-UHFFFAOYSA-N 391.445 2.768 0 40 GFAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccccc3F)C1=O)CC2 96305308 BKZZILTWYWLWST-KRWDZBQOSA-N 384.407 2.533 0 40 GFAB O=C(N[C@@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1)c1cccnc1 98211789 CHPDPCOIDIADOX-GOSISDBHSA-N 384.443 2.800 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)COCCN(Cc2cccnc2)C3)c1 96239891 XHQVCDFUXYWQEW-UHFFFAOYSA-N 395.503 2.845 0 40 GFAB COc1ncccc1CN1CC2(C1)OCC[C@@H]2COCc1csc(C)n1 248018844 IGFCHLCRMRZDMJ-MRXNPFEDSA-N 375.494 2.663 0 40 GFAB CCOc1cc(CNc2ccc(C(=O)NCCC(N)=O)cc2)c2c(c1)C[C@@H](C)O2 585085691 AIGDRWIVZCAXSS-CQSZACIVSA-N 397.475 2.626 0 40 GFAB Cc1ocnc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 257290493 QDEIYSOMRLHNND-IBGZPJMESA-N 391.855 2.813 0 40 GFAB CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)N(CC)CC)c(C)n3n2)C1 257340285 ZFJDWQZLIDEERS-QGZVFWFLSA-N 399.539 2.873 0 40 GFAB Cc1csc(Nc2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1 257297077 RFSKZJOPTWQFNS-UHFFFAOYSA-N 381.527 2.576 0 40 GFAB CN1CCCC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 623597347 HFAFJDXNELOXPI-IAGOWNOFSA-N 394.510 2.960 0 40 GFAB CCC[C@H]1CCc2c(sc(=O)n2Cc2nnc([C@]3(OC)CCOC3)o2)C1 643646604 ZUYPHVUOIMCTFV-SGTLLEGYSA-N 379.482 2.508 0 40 GFAB C[C@@H](C(=O)N1CCOC2(CCN(C)CC2)C1)N1CCC(Cc2ccccc2)CC1 649132742 MJSBRUHZJXNELI-FQEVSTJZSA-N 399.579 2.653 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(c3nccc4c(O)ncnc34)CC2)cc1F 656108915 JQNDYDXPVVMLRN-UHFFFAOYSA-N 395.438 2.711 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1csc(-n2cccn2)n1 90703551 JJWPCCHVTZVWSI-UHFFFAOYSA-N 396.451 2.841 0 40 GFAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CS(C)(=O)=O 618238369 XLCZUFMZDCOCNX-HNNXBMFYSA-N 379.400 2.553 0 40 GFAB O=C(O)c1cccnc1NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 647455618 GDDYHBHDCSFSPI-UHFFFAOYSA-N 396.491 2.563 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](OCc4cccnc4)CS3)C2)cc1 575405660 ZGPXQJPVHFNKTB-KRWDZBQOSA-N 390.530 2.855 0 40 GFAB CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCCO)cc1 585270418 WCYRTZYMEHOTAI-LJQANCHMSA-N 389.492 2.718 0 40 GFAB O=S(=O)(N[C@@H]1CCC[C@@H]1Cc1ccccn1)c1ncccc1Br 585091993 ZZSISIIOKGXZJM-IUODEOHRSA-N 396.310 2.929 0 40 GFAB CN(C)C/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 585292565 OPOVEZFDXPAQKN-DRDHIDPGSA-N 386.525 2.576 0 40 GFAB CCOC(=O)c1sc(NC(=O)CN(CCC(=O)OC)C2CCCC2)cc1C 62580538 YPEOOENMKYOCLF-UHFFFAOYSA-N 396.509 2.979 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccnc3)C2=O)cc1OC 1236541 LUZJKQYECCXQBI-CXUHLZMHSA-N 399.428 2.774 0 40 GFAB CCc1nnc(NC(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)s1 5016287 DUKKEHYQAMCABV-UHFFFAOYSA-N 389.510 2.930 0 40 GFAB CCCCOC(=O)OCCOCCOC(=O)O[C@H](C)C(=O)OCCCC 5552664 KCCYUUPPAVPFMF-CQSZACIVSA-N 378.418 2.841 0 40 GFAB CC(=O)N1c2ccc(NC(=O)[C@@]3(C)CC(=O)N=C4C=C(C)C=CN43)cc2C[C@H]1C 12204632 ACZWQPKILKCREY-JLCFBVMHSA-N 392.459 2.786 0 40 GFAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 12786929 HCKRSTFCZLMZEP-UHFFFAOYSA-N 379.294 2.671 0 40 GFAB Cc1ccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 14401635 TUHMELCSNUYHOU-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB CC(C)Cc1nn2c(=O)cc(COC(=O)[C@@H](C)Oc3ccccc3)nc2s1 15734050 RVFUTXVOLCDSMV-CYBMUJFWSA-N 387.461 2.860 0 40 GFAB COc1ccc(OCCN2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 19018620 XOXQPYMPOQVPLJ-NRFANRHFSA-N 396.491 2.606 0 40 GFAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)n1 19285835 RTUWZSMFWRUQFI-LBPRGKRZSA-N 386.525 2.955 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 19590446 DIUCPFKEOCKEQZ-OAHLLOKOSA-N 396.491 2.502 0 40 GFAB COCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570631 LLAWXUCWNQICBC-UHFFFAOYSA-N 375.465 2.590 0 40 GFAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 19575959 SXYSQLFCCAYPMQ-PWIZWCRZSA-N 389.927 2.860 0 40 GFAB COC(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc1 4463129 SGLCRNIIRGRFCR-UHFFFAOYSA-N 384.388 2.595 0 40 GFAB Cc1noc(C)c1CSCC(=O)OCC(=O)N1CCC(c2ccccc2)=N1 4799186 XGDSGTPVHFKZON-UHFFFAOYSA-N 387.461 2.704 0 40 GFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1ccnc(-c2cccnc2)c1 238880513 PDDLFOKWGNSOPB-AWEZNQCLSA-N 377.400 2.956 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)Cc3noc4ccccc34)n2)cn1 244986193 JJSVPRCAMSAUFM-UHFFFAOYSA-N 379.376 2.530 0 40 GFAB CCc1noc(CCC(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)n1 2037916209 UXRXANKGFFVWHS-UHFFFAOYSA-N 387.480 2.614 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4)cnc32)cc1C 4166102 SVBKTHGYTAVORY-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)o1 4479144 LDFGLCKNLSVZGE-UHFFFAOYSA-N 384.779 2.664 0 40 GFAB COc1ccc(CC(=O)Nc2c(C)nc3sc(C)c(C)n3c2=O)cc1OC 11768906 ITEGRBXAJFALDI-UHFFFAOYSA-N 387.461 2.880 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccccc3Cl)c2C)n1 16849658 WWWGYRPQBIGQNF-UHFFFAOYSA-N 399.882 2.783 0 40 GFAB O=C(c1cnc2ccccc2n1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414894 OYNYCTURRRXNPU-QGZVFWFLSA-N 387.486 2.693 0 40 GFAB COC(=O)Nc1nc(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cs1 12440429 GTGDGOIXNPYHCE-UHFFFAOYSA-N 381.410 2.528 0 40 GFAB Cc1nc2c3ccccc3nc(S[C@H](C(=O)N3CCOCC3)C(C)C)n2n1 30741069 FBNSCPOUYQTZQL-INIZCTEOSA-N 385.493 2.561 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)Cc3noc4ccccc34)cn2)C[C@@H](C)O1 40106836 MJIQTKYDJHBXIS-GASCZTMLSA-N 380.448 2.695 0 40 GFAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cccc(NS(C)(=O)=O)c1 40107005 OZCNBOGJXMTZJB-GFCCVEGCSA-N 380.491 2.960 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)Nc1cccnc1N1CCCC1 40121048 LTZIHUHURHNWSV-IBGZPJMESA-N 395.507 2.704 0 40 GFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCC(=O)N1CCCc2ccccc21 40122562 LCTWKOJRMSQLQL-UHFFFAOYSA-N 388.471 2.901 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1-n1cnnn1 31994252 GUONKTYXGTUXTC-OAHLLOKOSA-N 396.476 2.666 0 40 GFAB CCOC(=O)CCCNC(=O)COC(=O)c1c(C)c(CC)nc2ccccc12 3474618 APSMBLSKKYVAEL-UHFFFAOYSA-N 386.448 2.722 0 40 GFAB O=C1N[C@@H](c2cccc(F)c2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4387412 UVQRIPDTBBUCDQ-XUJVJEKNSA-N 388.342 2.991 0 40 GFAB COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)nn1 6441759 POLFTXYTKYPHLD-ZAYGCWILSA-N 383.407 2.882 0 40 GFAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(CC2CCCCC2)C3)c(OC)n1 100728420 HDAAURRKEDMYSC-IAGOWNOFSA-N 375.513 2.994 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 8343189 BLOIYAKGHXDXOX-VGOFRKELSA-N 386.492 2.695 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1NC(=O)c1ccco1 32908621 ARAAOVMGDYRPLM-UHFFFAOYSA-N 381.388 2.593 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(S(N)(=O)=O)ccc1Br 32904747 OJMWBPOUBNBXOB-JTQLQIEISA-N 395.278 2.688 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)N(C)C)cc1 32960875 ZFBHNKADFANSTR-HNAYVOBHSA-N 384.480 2.624 0 40 GFAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 58159779 NCKRPWLJXIIINJ-FDMDGMSGSA-N 384.929 2.920 0 40 GFAB COC(=O)c1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c(F)cc1F 22970172 YNMILJPBPUFGNV-UHFFFAOYSA-N 390.264 2.571 0 40 GFAB O=C(c1cc(Br)ccc1O)N1CCC(C(=O)N2CCCC2)CC1 22991665 MLSBWRDRQORQHL-UHFFFAOYSA-N 381.270 2.629 0 40 GFAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[C@H]1Cc1ccccc1 23055183 DXPGFJZVQMFCPX-IBGZPJMESA-N 384.501 2.975 0 40 GFAB CSc1nc2nc(C)c(CC(=O)OCc3cn4cc(C)ccc4n3)c(C)n2n1 23038070 CYDLTXAXARGRTE-UHFFFAOYSA-N 396.476 2.705 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)ccc1Cl 23053313 WTFGGNNSXGKENU-HNNXBMFYSA-N 399.299 2.855 0 40 GFAB Cc1ccc(OC[C@@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 23409854 XGKSUZKZUHDEOS-KRWDZBQOSA-N 395.425 2.971 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC(n3nc(-c4ccoc4C)oc3=O)CC2)CC1 100169322 IIMWUZBBLQPSCX-FZNQNYSPSA-N 389.452 2.773 0 40 GFAB CC(=O)c1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 24488425 WCYCRYLDFXAYAG-UHFFFAOYSA-N 377.393 2.688 0 40 GFAB Cc1c(O)ccc2c(CN3CCN(C(=O)c4cccs4)CC3)cc(=O)oc12 24669862 RXWINLJSDRJHLU-UHFFFAOYSA-N 384.457 2.827 0 40 GFAB c1cncc([C@@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)c1 20638690 GYQHJGPCUUPWCW-LJQANCHMSA-N 385.431 2.768 0 40 GFAB O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1O 1320691 VAOYBSLOXUPWOK-JOCHJYFZSA-N 380.444 2.643 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1910790 SXGOMZZBHBZRCI-IBGZPJMESA-N 394.427 2.798 0 40 GFAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1ccccc1)c1n[nH]c(C)n1)c1ccc(C)cc1 57890331 IPBGBBMJVHXWGW-FPOVZHCZSA-N 391.475 2.895 0 40 GFAB O=C(Nc1cnccn1)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 58161215 MGMOLQHTFDCKGW-UHFFFAOYSA-N 390.371 2.808 0 40 GFAB CSc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 58357031 VELKBSPXNOWSGR-KRWDZBQOSA-N 380.473 2.986 0 40 GFAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC[C@H](C)C1 2320447 SWCQBSKZNNUVKJ-LBPRGKRZSA-N 389.452 2.642 0 40 GFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(Cc1ccco1)c1ccccc1 48343036 FBXUIRFALONOBW-UHFFFAOYSA-N 375.406 2.575 0 40 GFAB CONS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 48345069 TVLGAUKYAZEDOC-UHFFFAOYSA-N 378.450 2.782 0 40 GFAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)OCC(C)C)CC3)n2)cc1 48325238 FPOIRGQZMMSCDT-QGZVFWFLSA-N 386.496 2.750 0 40 GFAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)NC(N)=O 3412458 KZASAFMRRLMSGW-SECBINFHSA-N 395.872 2.521 0 40 GFAB COc1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1S(=O)(=O)NC1CC1 12988840 RVUFFQNRWUYFRQ-UHFFFAOYSA-N 392.452 2.513 0 40 GFAB CCOc1ccccc1/C=c1\sc2nc(-c3ccc(OC)cc3)nn2c1=O 16728741 UTEJBZZNLLMWEM-ATVHPVEESA-N 379.441 2.773 0 40 GFAB O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)NCCc1ccc(Cl)cc1 13654734 WUWWUUPCYPAICR-INIZCTEOSA-N 389.839 2.697 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 5075423 ZZIZXKXZSGPZGK-UHFFFAOYSA-N 380.491 2.590 0 40 GFAB Cc1cc(C)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(C)c1 5002182 ODMQXORRJKUSIK-UHFFFAOYSA-N 390.461 2.745 0 40 GFAB CCOC(=O)[C@H]1[C@@H](C(=O)NC(C)C)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 5473360 QOIQZYGDBSSSQD-MJBXVCDLSA-N 386.370 2.594 0 40 GFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1cccc(C(=O)NC2CC2)c1 14482236 HLUAZIFAISOVLY-UHFFFAOYSA-N 393.443 2.723 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1cccc(C(F)(F)F)c1 67197526 GNZLZHRUQRUVPA-UHFFFAOYSA-N 381.306 2.907 0 40 GFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 7071119 KIAONJSVEQQINV-GYBQTFJISA-N 393.417 2.528 0 40 GFAB O=S(=O)(NCc1ccc(CN2CCCC2)cc1)c1ccc2c(c1)OCCO2 15335984 HEDAWYIMIMCCIF-UHFFFAOYSA-N 388.489 2.532 0 40 GFAB CCc1ccccc1NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O 67320254 HWPSUEHLNYVNEU-UHFFFAOYSA-N 381.407 2.648 0 40 GFAB COc1cc2nc(CSc3nncn3-c3ccccc3)[nH]c(=O)c2cc1OC 7677806 ODNKVOYLSUPEIP-UHFFFAOYSA-N 395.444 2.813 0 40 GFAB Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCOCC1 7881158 GHKHWWDYPMEIIP-UHFFFAOYSA-N 392.521 2.636 0 40 GFAB Cc1nc2c3c(C)c(C)sc3nc(N3CCN(C(=O)c4ccco4)CC3)n2n1 9050005 BANDTCNLKSTTQT-UHFFFAOYSA-N 396.476 2.820 0 40 GFAB COc1cc(C)cc(OC)c1OCC(=O)N(C)CC(=O)Nc1ccc(C)cc1 9155821 SXBFMPFCTIIADA-UHFFFAOYSA-N 386.448 2.797 0 40 GFAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)no2)cc1 19796718 WDETXGZKSVESLS-GOSISDBHSA-N 397.431 2.747 0 40 GFAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N([C@@H](C)C(=O)NCC(F)(F)F)C1=O 9862651 YHVOAADAWYKKEA-BJOHPYRUSA-N 391.777 2.564 0 40 GFAB Cn1cc(CCC(=O)N2CCN(CCc3ccccn3)CC2)c2ccccc21 79475960 JLTXQJBVTKGESV-UHFFFAOYSA-N 376.504 2.893 0 40 GFAB Cc1noc(-c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)N3CCCC3)cc2)n1 95458871 FAEBAXCIYIPWTL-SFHVURJKSA-N 394.475 2.910 0 40 GFAB COc1cc(N2C[C@H](C(=O)O[C@H]3CC[C@@H](C)C3)CC2=O)cc(OC)c1OC 95996091 QUVVHLCFGZCGDY-NFAWXSAZSA-N 377.437 2.797 0 40 GFAB Cc1ncc(CN2CCN(Cc3cccc(OC(=S)N(C)C)c3)CC2)s1 95997228 UXUYLRLOXIWHOI-UHFFFAOYSA-N 390.578 2.995 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C2=O 27592647 DMIRWVDSPFENLE-LJQANCHMSA-N 397.450 2.539 0 40 GFAB CCc1ccc(Nc2nnc(SCc3ccc(OC)cc3)n(N)c2=O)cc1 28535212 AJPQAUOCNZZNSE-UHFFFAOYSA-N 383.477 2.959 0 40 GFAB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc2c(c1)OCCO2 408627100 KCBJQCYTJQPDAK-UHFFFAOYSA-N 382.397 2.691 0 40 GFAB O=C(c1ccccn1)N1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306123346 AKPPMCPEMVICPF-MRXNPFEDSA-N 376.464 2.744 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1 409169665 QUUJDHWOVFCDBA-UHFFFAOYSA-N 397.460 2.566 0 40 GFAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ncccn1 409156576 GLKQREFUKXROSS-UHFFFAOYSA-N 390.856 2.568 0 40 GFAB Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)s1 512496645 MEKXTKXIHYNOBQ-KBPBESRZSA-N 377.489 2.602 0 40 GFAB CCn1nc(C)c(S(=O)(=O)NCC[C@@H](C)n2nc(C)c(Cl)c2C)c1C 36614560 PNZPUEVRBYHMPG-SNVBAGLBSA-N 387.937 2.916 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 72401605 MSHTXAVIIZARDT-UHFFFAOYSA-N 376.328 2.941 0 40 GFAB CC(C)C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 72376651 IRJPSQDLTICNTJ-KRWDZBQOSA-N 395.507 2.671 0 40 GFAB O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1Cl 36700127 LMNRPWXWLMIIPF-QGZVFWFLSA-N 380.897 2.692 0 40 GFAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1 225128470 JGYUHOOBVPUEQL-UHFFFAOYSA-N 376.522 2.533 0 40 GFAB Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 224713556 GLFGPLDLOQOLNA-UHFFFAOYSA-N 382.511 2.652 0 40 GFAB COc1cccc(C(=O)N2C[C@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)c1 96241039 XDOFZPNGVMDEOB-LJQANCHMSA-N 395.459 2.598 0 40 GFAB COC(=O)c1nc(NC(=O)c2n[nH]c3c2CCC3)sc1Cc1ccccc1 95473332 YTJDVSGGURIQTA-UHFFFAOYSA-N 382.445 2.985 0 40 GFAB NC[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 580190655 FZXPMWWTGQPITO-BHIYHBOVSA-N 379.504 2.936 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96238162 NBXZBQIQHSSZAT-IBGZPJMESA-N 388.468 2.842 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96077283 HESWQPWYUKSUNG-NRFANRHFSA-N 382.439 2.781 0 40 GFAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)CN1CCCC1=O 257232853 GMRZADRHWHJEAT-OAQYLSRUSA-N 385.439 2.865 0 40 GFAB COc1ncc(CN2CCO[C@@H](c3cccc(-c4c(C)noc4C)n3)C2)cn1 257247535 IZKKSSAXLFDROC-GOSISDBHSA-N 381.436 2.726 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260888511 BBUDIBPANCBICU-XSWJXKHESA-N 380.485 2.531 0 40 GFAB O=C(Nc1ccccc1Br)C1CCN([C@H](C(=O)O)C2CC2)CC1 635016326 LYJVIYRAZATXTP-HNNXBMFYSA-N 381.270 2.963 0 40 GFAB Cc1noc([C@H]2CN(C(=O)N[C@H](C)[C@H]3Oc4ccccc4[C@H]3C)C[C@@H](C)O2)n1 606444985 XIIWGVYJVNZGPX-WYEVINAZSA-N 386.452 2.803 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CC[C@]2(O)CCCC[C@@H]2C1 604403948 FLAIOXCZEXUVBW-VGOFRKELSA-N 383.444 2.986 0 40 GFAB biogenic C[C@H](NC(=O)C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1 90583443 GIDILNFNYHKPGG-KRWDZBQOSA-N 376.460 2.934 0 40 GFAB Cc1ccc(CC2CN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C2)cc1 666212059 ZUSKWBNPCIYOAP-UHFFFAOYSA-N 395.507 2.957 0 40 GFAB O=C(Nc1ccc(I)cc1)c1cnc2sccn2c1=O 15631619 JZJUCFCPFRVXKN-UHFFFAOYSA-N 397.197 2.613 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@@H](N2CCCC2)C1 58268698 WBVINOVQWLEHIM-CQSZACIVSA-N 387.452 2.775 0 40 GFAB COc1cc(C2=NO[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc(OC)c1OC 5030894 CEMKHWWNVLWCGH-LJQANCHMSA-N 384.432 2.864 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 5037625 WWVZWKWNTGIISP-HNNXBMFYSA-N 384.407 2.923 0 40 GFAB COC(=O)c1cc(COC(=O)C[C@@H]2Sc3ccccc3NC2=O)oc1C 5289535 AFLJXJLGVYQLTP-HNNXBMFYSA-N 375.402 2.921 0 40 GFAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 5715862 SUOVBIXUAAGBHJ-SCUMNGBJSA-N 398.503 2.681 0 40 GFAB CCOc1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)C[C@H](C)O)OCO2 12185705 LXVACDOZXDUPMI-AWEZNQCLSA-N 387.432 2.926 0 40 GFAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@@H]3COCCO3)cc12 12186383 KLYHFBZALZIBIE-QGZVFWFLSA-N 396.491 2.516 0 40 GFAB Cc1ccc(-c2nc(CNC(=O)CCN3Cc4ccccc4C3=O)no2)cc1 12195239 TWOBXTWRWJESIS-UHFFFAOYSA-N 376.416 2.707 0 40 GFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 13675374 VAAKJPYCLCKWAH-HNNXBMFYSA-N 376.478 2.556 0 40 GFAB c1ccc(CCCN2Cc3nc[nH]c3C[C@H]2c2nc(-c3cnccn3)no2)cc1 15675486 QSLSNMIBESNQPE-IBGZPJMESA-N 387.447 2.982 0 40 GFAB biogenic,in-vitro COCCCN(Cc1ccc2c(c1)C[C@@H](C)O2)C(=O)c1ccc(C)n(C)c1=O 19131537 VTBWQJQBSNWFQV-MRXNPFEDSA-N 384.476 2.696 0 40 GFAB CC(C)CC[C@@H](C)NC(=O)CSc1nnc(N2CCOCC2)n1CC(C)C 19353655 OXPUPWBYZMEDGT-MRXNPFEDSA-N 397.589 2.804 0 40 GFAB CCOc1ncc(C2(O)CCN(Cc3cccc(OC)c3)CC2)c(OCC)n1 19531739 RLOAGCWUWACVFQ-UHFFFAOYSA-N 387.480 2.766 0 40 GFAB O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H](c1ccc(F)cc1)N1CCOCC1 19717099 YEZYEGGCOIVQTE-GOSISDBHSA-N 381.411 2.623 0 40 GFAB OC[C@]1([C@H](NCc2ncc(Cl)cc2Br)C2CC2)CCCO1 529580540 MMFGELVXFDKIKD-CABCVRRESA-N 375.694 2.907 0 40 GFAB COc1ccccc1CN1CCN(C(=O)Nc2ccnc(CN(C)C)c2)CC1 640614101 KVPFXVGVFPCBND-UHFFFAOYSA-N 383.496 2.502 0 40 GFAB O=C1CN(Cc2ccccn2)Cc2cc(CCCO)ccc2OCCCCCN1 643580335 VHAGLTYFPWCEGH-UHFFFAOYSA-N 397.519 2.688 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CCC[C@H](O)C2)nc1-c1cnc(C)cn1 12156529 ATOZFHYEKWDIBF-AWEZNQCLSA-N 380.452 2.729 0 40 GFAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N[C@@H]1CCS(=O)(=O)C1 9156290 LOOCNBLWXUHUQF-WCBMZHEXSA-N 390.939 2.734 0 40 GFAB CC(C)(C)c1ccc2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)[nH]c2c1 29825304 HRNSVVZQZUIMNM-UHFFFAOYSA-N 377.510 2.619 0 40 GFAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 2037836171 RNKHFTFDRAUIRA-CYBMUJFWSA-N 381.465 2.795 0 40 GFAB CC1=NN(CCC(C)C)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2[C@@H]1C 4316672 AXOAGTLGTIKITF-OAHLLOKOSA-N 388.516 2.746 0 40 GFAB Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228263 BMIIWZFKQHUCJY-UHFFFAOYSA-N 395.369 2.808 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)cc1F 21698230 CSPYJYKBFXRVRN-HXUWFJFHSA-N 396.466 2.983 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1 575616205 HVBKWLQENUDRPM-LJQANCHMSA-N 386.473 2.647 0 40 GFAB COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1Br)CCC2 244947596 DNVKOOIKSFVNPO-UHFFFAOYSA-N 381.201 2.957 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)c3ccccn3)c2N)cc1 19213131 UOQKQIOXFNGGQA-GOSISDBHSA-N 375.432 2.645 0 40 GFAB Cc1ccc(Nc2ccc(N3CCN(C(=O)c4snnc4C)CC3)nn2)cc1 48985518 NUJQLQZSJOMFLM-UHFFFAOYSA-N 395.492 2.651 0 40 GFAB O=C(NCc1cccc(COCc2ccco2)c1)c1cccnc1-n1cncn1 40089371 OHGVCSGKBOSKSP-UHFFFAOYSA-N 389.415 2.902 0 40 GFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100801108 OFDYCTCARALERY-IPWHYPCCSA-N 390.439 2.678 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@H](C)C3)c2)c1 11497198 SNHYCIZWEAKPGO-MRXNPFEDSA-N 388.489 2.965 0 40 GFAB Cc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)s1 904850 RPKIOTWYAFNMLM-UHFFFAOYSA-N 390.494 2.593 0 40 GFAB CNC(=O)OCc1cn(-c2ccc(Cl)c(Cl)c2)nc1COC(=O)NC 1574572 JOYPTXZMAXGTTD-UHFFFAOYSA-N 387.223 2.891 0 40 GFAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)NCc3ccccc3)cc2c1 4231278 WBOGXAZTMIRUGI-UHFFFAOYSA-N 395.459 2.631 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6429816 WDBMIRATDPGJNP-UHFFFAOYSA-N 376.478 2.935 0 40 GFAB C[C@@H]1C(=O)N(C[C@H](O)COc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 32751007 YAXRVBUWCUBTLD-WBMJQRKESA-N 376.359 2.562 0 40 GFAB CSCC[C@@H](NC(=O)CNC(=O)c1cccs1)c1nc2ccccc2[nH]1 32721139 MWXZDJOBTDKZML-CQSZACIVSA-N 388.518 2.965 0 40 GFAB COc1ccccc1Nc1nc2nccc(-c3c(O)cc(C)oc3=O)c2c(=O)[nH]1 102338300 ZCBYZJYJQLJAMV-UHFFFAOYSA-N 392.371 2.705 0 40 GFAB COc1cccc(CN2[C@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1 100146440 ABJIKTQFPVRRND-OALUTQOASA-N 383.492 2.509 0 40 GFAB Cc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)NCc1ccccc1 21214607 MSLUVHGXCXAOMU-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1 625877 GVPQOJHQMDMVOQ-UHFFFAOYSA-N 397.460 2.797 0 40 GFAB CN(c1ccccc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21)S(C)(=O)=O 53368851 RGTKYSDQKFKQII-MRXNPFEDSA-N 392.452 2.865 0 40 GFAB COc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc(OC)c1OC 12169224 MXCNQOVUYVYLOQ-LLVKDONJSA-N 386.404 2.708 0 40 GFAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C 22227210 UDBUNHJZWDFCAU-UHFFFAOYSA-N 390.505 2.663 0 40 GFAB CC(C)CS(=O)(=O)CC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 54313841 MMGQRUFVMFWVMI-UHFFFAOYSA-N 387.929 2.575 0 40 GFAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN([C@H]1CCS(=O)(=O)C1)C3 12442542 KAKNKHATRFGPLG-HNNXBMFYSA-N 397.452 2.799 0 40 GFAB biogenic CC(=O)c1ccc(O[C@@H](C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 23642120 PDVZVBBABDQBRR-SFHVURJKSA-N 388.508 2.808 0 40 GFAB O=C(CSCCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)=N1 24065280 MANIPDUFGDXAME-UHFFFAOYSA-N 393.468 2.652 0 40 GFAB C[C@H](CCc1ccco1)NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 35277892 YIXMRVHVOLYXCV-JEBQAFNWSA-N 390.480 2.699 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)OC)cc1)O[C@@H](C)C2 12583506 GCAKUOLFWZHWPH-LBPRGKRZSA-N 391.445 2.996 0 40 GFAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 58194083 KEVFJILBAKCXKN-KRWDZBQOSA-N 393.468 2.827 0 40 GFAB CC(C)[C@@H](C(=O)NCc1noc(-c2cccs2)n1)N1C[C@@H](C)O[C@H](C)C1 58292460 RJTRHIBYZOGFNI-IOASZLSFSA-N 378.498 2.548 0 40 GFAB CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)cc1 408604371 MAQAQFIESXHDPJ-UHFFFAOYSA-N 376.478 2.734 0 40 GFAB COc1ccc(COC[C@H](O)CN[C@H](c2ccccc2F)c2nccn2C)cc1 28690328 UGVXQDACSMTKMU-DYESRHJHSA-N 399.466 2.825 0 40 GFAB CCN(CC)CCCNC(=O)C1CCN(c2ncnc3ccsc23)CC1 58913323 GBRFWKRZRFNFMJ-UHFFFAOYSA-N 375.542 2.756 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC1(N2CCCCC2)CCCCC1 3353061 UITXLZADMRYOHW-UHFFFAOYSA-N 382.508 2.771 0 40 GFAB CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc2ccccc2c1 12790834 WZIXDQJVLFBEKY-UHFFFAOYSA-N 397.500 2.948 0 40 GFAB O=C(CCCc1cccs1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 48365847 ABMXSWHXIUSPLN-UHFFFAOYSA-N 397.544 2.804 0 40 GFAB COc1ccccc1Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 3494655 BXVZSRKGSUSIHL-NSHDSACASA-N 380.495 2.678 0 40 GFAB NCCc1c(Br)c(O)c(O)c(Br)c1Br 38245017 LITLOAIUCMHLLP-UHFFFAOYSA-N 389.869 2.887 0 40 GFAB Cc1ccc(C2=Nn3c(nnc3-n3nc(C)cc3C)S[C@H]2CC(=O)O)cc1 13013816 MMIYYMATDPXZGS-AWEZNQCLSA-N 382.449 2.590 0 40 GFAB Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n1 13075269 LRCXYBKCWHYNGT-CHWSQXEVSA-N 395.506 2.502 0 40 GFAB COCc1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)c1CCC(C)C 22448862 WVBUGOAQLDVVQF-UHFFFAOYSA-N 388.487 2.971 0 40 GFAB COc1ccc(-c2nnn(Cc3cc(Cl)c4c(c3)OCCO4)n2)cc1OC 5320892 UFBCJCNCFBOCJH-UHFFFAOYSA-N 388.811 2.830 0 40 GFAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1(C)C 14249206 TWJPZHQDJCWSFN-MOPGFXCFSA-N 390.549 2.899 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 6651828 CRRROCOIYITDOP-UHFFFAOYSA-N 379.438 2.938 0 40 GFAB COCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 15272679 UUEFXDWLIMQHLH-UHFFFAOYSA-N 398.868 2.526 0 40 GFAB COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(SCCO)nc2c1 7038585 MDRDNRLNWKYKEL-UHFFFAOYSA-N 384.457 2.510 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(Cl)cc2c1OCOC2 18263378 KZNWTHPCTHIODE-UHFFFAOYSA-N 397.836 2.935 0 40 GFAB C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4)c(=O)c3s2)C1 67226206 CQZNRZDMVPVBNS-ZDUSSCGKSA-N 383.477 2.728 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccs4)ccn3n2)cc1 9321126 KZNCYYUWYITMSH-UHFFFAOYSA-N 378.457 2.849 0 40 GFAB COc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)NC1CCCC1 9500954 ZFPJULFSDCZTFP-UHFFFAOYSA-N 395.506 2.933 0 40 GFAB C[S@@](=O)c1c(Cl)cccc1NC(=O)NCC(=O)NCCc1ccccc1 72309779 WNUHNJMZVYEYAA-SANMLTNESA-N 393.896 2.558 0 40 GFAB CCn1c(=O)n(CCC(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c2ccccc21 95418734 CBYUWABMYOXPKQ-GOSISDBHSA-N 389.496 2.696 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCCc4ccc(F)c(F)c43)ccc2N1 95455475 OKMGKYSERFLNDR-UHFFFAOYSA-N 378.400 2.991 0 40 GFAB CC(C)c1ocnc1C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 95956663 ZOVBROBFFJHGEP-UHFFFAOYSA-N 391.855 2.815 0 40 GFAB Cc1cc(C[C@H](C)NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n[nH]1 89599204 GRDFTTXMQMHMEZ-NSHDSACASA-N 399.520 2.885 0 40 GFAB COc1cc(Br)c(S(=O)(=O)N2CCCSCC2)cc1OC 60844540 RLSQGQOSXNFKSG-UHFFFAOYSA-N 396.328 2.594 0 40 GFAB CCCc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2=O)cc1 32795951 VMVLUBGHRWYCDA-OAHLLOKOSA-N 393.443 2.962 0 40 GFAB O=C(Cc1csc(-c2cccs2)n1)N1CCC(c2nnc(O)o2)CC1 559252252 WRFJMIHHMCJRJU-UHFFFAOYSA-N 376.463 2.909 0 40 GFAB O=C(NCc1cccc(-c2ccccn2)c1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 564179579 ZNSPQCCGNZWGFY-OAQYLSRUSA-N 399.516 2.859 0 40 GFAB CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ncnc2n[nH]cc12 564312002 UYXKJEKKVAPAGC-UHFFFAOYSA-N 394.460 2.790 0 40 GFAB CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 72378596 CVMWTJFQTHHBII-SFHVURJKSA-N 377.448 2.967 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1 40069387 LFQYBAVNXXMQDS-UHFFFAOYSA-N 383.473 2.852 0 40 GFAB CCn1nc(C)c(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1C 72241264 GYIONLHHURNEIA-ROUUACIJSA-N 390.871 2.710 0 40 GFAB Brc1ccc(CN2CC(c3nc(-c4ncccn4)no3)C2)s1 49483075 SDHCJFLJFCIXGW-UHFFFAOYSA-N 378.255 2.950 0 40 GFAB O=C(NCCc1c[nH]cn1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099342 ZDUZHUOHDRNQOZ-UHFFFAOYSA-N 390.491 2.631 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCc3cc(OC)ccc32)c1 224470405 HVKYGGROWWEVON-GOSISDBHSA-N 375.446 2.838 0 40 GFAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 44948586 IHWJLTHAMFANQE-KRWDZBQOSA-N 393.553 2.746 0 40 GFAB O=C(Nc1ccccc1)c1cccc(Cn2nnn(-c3cccs3)c2=O)c1 48344316 BXYYIBQTUUTBNL-UHFFFAOYSA-N 377.429 2.791 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 223456901 ZSPDGTFWYWGGOF-FQEVSTJZSA-N 384.476 2.936 0 40 GFAB CCCOC1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCC1 225654572 FOQMZARDZBTELN-UHFFFAOYSA-N 390.480 2.602 0 40 GFAB O=C(c1cscn1)N1C[C@H]2CN(C3CCN(Cc4ccccc4)CC3)[C@H]2C1 96244900 DZGUPYCGOPTRNK-PXNSSMCTSA-N 382.533 2.564 0 40 GFAB Cn1ccnc1-c1nccnc1[C@@H]1CCCN1Cc1ccccc1OCC(=O)O 257248613 JELOWHIMJHOQGQ-INIZCTEOSA-N 393.447 2.678 0 40 GFAB NC(=O)CCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257234708 GUTXDWHHTHIRFY-HNAYVOBHSA-N 392.883 2.827 0 40 GFAB Cc1ccc2nc([C@@H]3CCCN([C@@H]4CCCCN(CC(=O)O)C4=O)C3)[nH]c2c1 643876166 MXDAIOHQYYZKIE-CRAIPNDOSA-N 384.480 2.516 0 40 GFAB O=C(O)c1cccc2c1CN(C(=O)[C@@H]1C[C@H]1c1ccc3c(c1)OCCO3)CC2 649258084 HKHMDHXWRSYGNW-DLBZAZTESA-N 379.412 2.844 0 40 GFAB COc1ccc(-c2noc(CNc3cccc4c3CCNC4=O)n2)c(OC)c1 669386466 WWIIUMIASOBIDY-UHFFFAOYSA-N 380.404 2.652 0 40 GFAB COCCn1cc(C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c(=O)cc1C 672999597 YXAUSIFRWRYNRX-MRXNPFEDSA-N 380.448 2.861 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)c(Cl)c1 675727130 BLLUJLWBZFLGIA-IBGZPJMESA-N 393.871 2.855 0 40 GFAB COc1cccc([C@@H](C)CC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)c1 1615548940 POEBJCBRNHNYHQ-KRWDZBQOSA-N 388.508 2.819 0 40 GFAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2CC1(O)CCN(c2ccc(C)cc2)CC1 585284684 VENGZOAOLOVGPD-FGZHOGPDSA-N 385.552 2.802 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44776472 VTDATRRODHYHNY-RDBSUJKOSA-N 376.503 2.649 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NC[C@](O)(c3ccco3)C3CC3)CC2=O)cc1C 77099468 BFNQQFVXYSASRR-KSFYIVLOSA-N 382.460 2.663 0 40 GFAB CC(C)=CC(=O)N1CCOC2(CCN(Cc3nc(C4CCCC4)no3)CC2)C1 1615611644 NYFZUABFYOPJNM-UHFFFAOYSA-N 388.512 2.887 0 40 GFAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc2c(Br)cnn2c1 1519574589 FMLZUTDWGFBURF-YVEFUNNKSA-N 394.269 2.949 0 40 GFAB CCn1cc(C(=O)N2CCC[C@@H](n3nc(-c4cccs4)ccc3=O)C2)c(C)n1 12129407 CNFKPGCHDRARTF-OAHLLOKOSA-N 397.504 2.974 0 40 GFAB CC(C)[C@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cc2ccccc2oc1=O 12145743 FEIKUBALVXOHTP-SFHVURJKSA-N 393.443 2.682 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@H](C)CCc1ccccc1 13582996 CDZUWYHDDQKMJM-OAHLLOKOSA-N 390.505 2.842 0 40 GFAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)cc1 18131726 WWNNFFQVPLBLQP-GOSISDBHSA-N 376.478 2.827 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)CCC(=O)c1cc(C)sc1C 19316431 GTBHRDBHPDFUJJ-OAHLLOKOSA-N 397.493 2.575 0 40 GFAB CCN1CCN(C2CCN(C(=O)Cn3c(C)nc4cc(C)c(C)cc43)CC2)CC1 19528131 NMPQHCWGTYFTOD-UHFFFAOYSA-N 397.567 2.590 0 40 GFAB Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cncc(OC(C)C)c1 504694119 DVRYEUZTPGTLPG-UHFFFAOYSA-N 383.448 2.902 0 40 GFAB O=C(CCC(F)(F)F)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576461 JZMZXCQDJVJSAG-JKSUJKDBSA-N 389.414 2.685 0 40 GFAB OCC[C@@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1Br 655751685 QEIQGZXHIWFRRT-CRAIPNDOSA-N 383.330 2.716 0 40 GFAB COc1ccn2c(C(=O)N3C[C@@H]4CN(Cc5ccccc5)CC[C@H]4C3)cnc2c1 569962432 WZFQFRPYQYDTSP-OALUTQOASA-N 390.487 2.937 0 40 GFAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C)ccn1 10430592 IVEWBFQWSZLUKH-OAHLLOKOSA-N 386.477 2.626 0 40 GFAB CN(C)c1cc(N2CCN(Cc3ccccc3Br)CC2)ncn1 1889131818 SDCKZIOQPQUIJI-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB O=C1CC2(CCN(C(=O)COc3ccccc3)CC2)Nc2ccccc2CN1 2037978277 MTMHGGVFZCMVGK-UHFFFAOYSA-N 379.460 2.559 0 40 GFAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)C4CC(F)(F)C4)C[C@@H]32)CC1 1565552558 ZOHQXPHAAFJTGD-CZUORRHYSA-N 376.451 2.856 0 40 GFAB Cc1nc2sc([C@H](c3ccccc3)N3CCC4(CC3)OCCO4)c(O)n2n1 4120704 YOKPZSITRFRTKJ-HNNXBMFYSA-N 386.477 2.733 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2C1=O 8961625 MBQXCKFQHCDUQF-UHFFFAOYSA-N 378.425 2.789 0 40 GFAB Cn1c(=O)c2c(SCc3cccnc3)nc(C3CCCCC3)nc2n(C)c1=O 9517476 LYJXADCXWAYGOE-UHFFFAOYSA-N 397.504 2.762 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O 10104936 MZGFJNJFJGQKQZ-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 2055746145 REQGGTNFVHYHOF-GVDBMIGSSA-N 394.518 2.589 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1 23144997 GQCMKJAKKDXZFS-UHFFFAOYSA-N 398.554 2.552 0 40 GFAB Cc1cc(O[C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc(C)n1 575609094 IYMICCJOEVEMIW-FQEVSTJZSA-N 396.491 2.614 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc1 72333891 AZHVJBJFBSHYSJ-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB Cc1nc(C)c(CC(=O)NCC(C)(C)c2ccc(Br)cc2)c(=O)[nH]1 40113431 WQEYDTJHVFTADH-UHFFFAOYSA-N 392.297 2.786 0 40 GFAB COc1cccc(NC(=O)Cn2c(=O)nc(N)c3c4c(sc32)CCCCC4)c1 40267433 MWPMMYDWKKFLNN-UHFFFAOYSA-N 398.488 2.956 0 40 GFAB O=C1S/C(=C/c2cccnc2)C(=O)N1CN1CCN(c2ccccc2)CC1 20311127 IHNDDDSMXZKDKY-QGOAFFKASA-N 380.473 2.898 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c(OC)c1 8217833 XHQYABWZAFPCPF-CQSZACIVSA-N 397.431 2.654 0 40 GFAB Cn1nc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2c1=O 8278182 AFJWLFGVWMZCAU-UHFFFAOYSA-N 399.834 2.678 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 29483795 OSRNZEDASMZJQM-UHFFFAOYSA-N 399.472 2.530 0 40 GFAB Cc1cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)ccc1N1CCCC1=O 11744373 BJMFWHCCSSCGEY-UHFFFAOYSA-N 376.416 2.540 0 40 GFAB CC1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 11774928 ULPKDEWHVHAFQD-UHFFFAOYSA-N 396.417 2.618 0 40 GFAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(S(C)(=O)=O)C2)C3)cc1 4237490 FDPKUMHRPREGII-DZGCQCFKSA-N 390.530 2.616 0 40 GFAB biogenic,in-vitro CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 4352371 UFDPYQZNFDZGGT-UHFFFAOYSA-N 380.400 2.698 0 40 GFAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(C)c3)nc21 4940469 JZEPJYHYJWVLSC-UHFFFAOYSA-N 389.415 2.582 0 40 GFAB CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2noc(O)n2)cc1 60347126 DPGMSUUHMIMUIK-UHFFFAOYSA-N 387.417 2.877 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 6416162 DAMDHGBIUUGYEP-LLVKDONJSA-N 398.868 2.663 0 40 GFAB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cccc1OC 6939121 YZRFXVRPLITPFI-XDUBLRSXSA-N 395.415 2.934 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 7295862 WWFJHUSZJZNXFI-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)c1 7881561 XDYFPFXDYSQCMB-HOCLYGCPSA-N 397.427 2.871 0 40 GFAB CCOCCCNC(=O)[C@@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100179994 VDVSVDCAVITWMQ-FVFSHSICSA-N 386.492 2.874 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ncsc2c1 2630603 HOSOLHNYKKUFGB-UHFFFAOYSA-N 381.457 2.802 0 40 GFAB aggregator COc1ccc(CN2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)cc1F 32738505 CQBFAOMIODWVCY-INIZCTEOSA-N 377.504 2.789 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)[C@@H](C)Oc3cccc(C)c3)C(=O)[C@@H]21 102217138 VBYFAYGFGIGFRT-DZLVSBGCSA-N 382.460 2.771 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 8433849 IGOJBYYPYMPHQD-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCCCn1c(CCC(=O)NCCC)nc2cc(S(=O)(=O)N(C)C)ccc21 29900275 PZRQWTZFMVTZAO-UHFFFAOYSA-N 394.541 2.546 0 40 GFAB CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 10294510 CKWQEUNMTLBXHX-CQSZACIVSA-N 392.477 2.887 0 40 GFAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2cccs2)n2nnnc2N3)cc1 10296036 NYMPUPJFVDWRRW-MRXNPFEDSA-N 393.432 2.991 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10781503 FEGIRDHYSQDIEU-UHFFFAOYSA-N 394.471 2.861 0 40 GFAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(OC2CCCC2)c(C)c1 32924391 ZEHYZPKPQLUMHX-UHFFFAOYSA-N 382.526 2.852 0 40 GFAB Fc1ccc([C@@H](CNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)N2CCOCC2)cc1 103190477 YEABGOAQHOLJOV-SKWUIDRYSA-N 377.529 2.852 0 40 GFAB O=c1nc2n(c(O)c1[C@@H]1NCCc3c1[nH]c1ccc(Cl)cc31)CCCS2 102709380 LAMXUDKHVPXHAY-HNNXBMFYSA-N 388.880 2.815 0 40 GFAB CCOC(=O)N1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1 20177817 SEVRFJMFCCCXSE-UHFFFAOYSA-N 395.257 2.773 0 40 GFAB Cc1nc(N2CCN(Cc3ccccc3)CC2)c2nnn(Cc3ccccc3)c2n1 57709737 NELXWQAJJVSQSK-UHFFFAOYSA-N 399.502 2.900 0 40 GFAB COc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1OC 23106171 JZXILXZUQKNVAY-GOSISDBHSA-N 388.439 2.646 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 24576419 PPUOQOPOMOSMRJ-CQSZACIVSA-N 385.449 2.587 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1cccc2cccnc12 100279886 JNZQRBWGCFZPOE-DIZUZXFTSA-N 388.423 2.583 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 12541059 NZDFHTJLGDNFTE-VPZZIHKRSA-N 377.872 2.897 0 40 GFAB CCn1nnc2cc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)ccc21 25211507 XTENYZVYMZQDOF-UHFFFAOYSA-N 395.438 2.625 0 40 GFAB C[C@H]1CCc2ccccc2N1C(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 25593538 FZVAOFWRKSZVNP-HNNXBMFYSA-N 385.489 2.603 0 40 GFAB CN1CC[C@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@H]1c1ccccc1 107540592 JOCCCRMUZJUWLX-FXAWDEMLSA-N 377.448 2.626 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)cc1 3276049 VRSROEQQOQWWRP-GFCCVEGCSA-N 382.449 2.740 0 40 GFAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccn1 8610063 TYJOZQPWZAXMQI-GOSISDBHSA-N 376.420 2.999 0 40 GFAB aggregator CCN1C[C@H](CN(C)C[C@@H](O)COc2cccc(C(C)=O)c2)Oc2ccccc21 12607752 VDAGEKSORBBVPH-CTNGQTDRSA-N 398.503 2.848 0 40 GFAB NC(=O)C1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)CC1 57985559 AZQLZGYUMOIDBX-UHFFFAOYSA-N 380.535 2.658 0 40 GFAB CCC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 35903474 QUBMZEIHDVJZMJ-CQSZACIVSA-N 394.541 2.544 0 40 GFAB CN(C)CCN(CCc1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1 58214999 CYUFKXQADJOKJB-UHFFFAOYSA-N 395.507 2.854 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)c2cc(OC)c(OC)c(OC)c2)c1 3316683 VCEKOYRMAITXTE-UHFFFAOYSA-N 390.388 2.769 0 40 GFAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C 20466100 TUHNQKHRJJVJBN-PZDQVJISSA-N 390.524 2.860 0 40 GFAB biogenic,in-vitro COc1cccc(CNC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 12790371 MZKDYFMRNLZZMF-UHFFFAOYSA-N 383.423 2.871 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 10966052 RSRSKHGFVNYEQF-OAHLLOKOSA-N 380.466 2.701 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 11003756 XVKZSSAXASGUOK-UHFFFAOYSA-N 390.480 2.979 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1F 45581055 IWQULALQWSOCKE-HXUWFJFHSA-N 398.482 2.562 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)CSCc2ccc(Cl)cc2)cc1 13010955 DIKSSJUAXYEWFZ-UHFFFAOYSA-N 398.937 2.580 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)NC1=NCCS1)OCc1ccccc1 13007029 BSSREXAVRIJROT-QGZVFWFLSA-N 383.473 2.743 0 40 GFAB CCn1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c(=O)c2ccc(C)nc21 18009030 YAFBYYSYGLRAMY-GASCZTMLSA-N 385.464 2.671 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccc(Cl)cc1 9255044 ZWAMBPNZKULSDJ-UHFFFAOYSA-N 397.884 2.650 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1cccc(Cn3ccnc3)c1)C2=O 25177654 XYCBFHRDHKQFEN-UHFFFAOYSA-N 388.427 2.865 0 40 GFAB COc1ccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)cc1 5347756 VZITUICVIWZTOR-UHFFFAOYSA-N 375.446 2.604 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 6454325 XUKXQOZRJFTGEB-UONOGXRCSA-N 397.493 2.870 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2OC)cc(C)c1C 14226489 PBQXAWRONUMMLD-AWEZNQCLSA-N 376.478 2.711 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 4690497 BXYNCBXUIPZPJT-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB Cc1cccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1C 22340432 GYRVOTCZJJSQMH-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB COc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC 7453580 NLBZSARNCSLCCK-AWEZNQCLSA-N 385.464 2.570 0 40 GFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N1CCOC1=O 7826681 SGQBWEUUKUMURV-UHFFFAOYSA-N 383.433 2.832 0 40 GFAB Cc1cc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833582 YIBCAJJJTAVXTN-ZIAGYGMSSA-N 378.519 2.636 0 40 GFAB COc1cc(CN(C)C(=O)c2ccc(=O)[nH]n2)ccc1OCc1ccccc1 8013702 LVUSLLXKCPFAJW-UHFFFAOYSA-N 379.416 2.630 0 40 GFAB CCOc1ccc(NC(=O)CNc2cccc(S(C)(=O)=O)c2)cc1OCC 9338691 UEXQGOCQJSTMNW-UHFFFAOYSA-N 392.477 2.938 0 40 GFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCCC2)cc1 408710322 XHBGWJDWYJDRGB-UHFFFAOYSA-N 379.460 2.922 0 40 GFAB COc1ccc(NC(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 19924165 QFZTTZARJPTIFP-UHFFFAOYSA-N 381.440 2.521 0 40 GFAB COc1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1OC(F)F 83855549 NZNCOCBHRPZWJQ-FZMZJTMJSA-N 392.424 2.726 0 40 GFAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1ccco1 9805925 OUOCFAFOWODUJE-UHFFFAOYSA-N 375.856 2.678 0 40 GFAB Cc1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 22326801 GPTGQIBPEZRSKI-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB CCC[C@@H](C(=O)NCCCOCC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 78968775 XDMLKXUASHIGRT-SFHVURJKSA-N 397.560 2.641 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](CO)c3ccc(Cl)c(F)c3)CC2=O)cc1 95992802 IQWHMFLMANWYLR-KBXCAEBGSA-N 390.842 2.990 0 40 GFAB CC(=O)N(CCC(=O)NCc1nnc(C2CC2)n1C1CC1)Cc1ccccc1 95939676 AIABGXBZUAJLSM-UHFFFAOYSA-N 381.480 2.545 0 40 GFAB O=C(Nc1ccc(-n2cncn2)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 89793970 UJFUFIJWGYZYON-IBGZPJMESA-N 378.436 2.875 0 40 GFAB CCCCCCNC(=O)CS(=O)(=O)Cc1ccc(OC(F)F)c(OC)c1 36396428 HWRVZVURLUBEHU-UHFFFAOYSA-N 393.452 2.908 0 40 GFAB Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)C3CCOCC3)cc1)NC2=O 72341170 NEECPAYRBIROGX-SFHVURJKSA-N 380.448 2.634 0 40 GFAB CCN1CCN(C(=O)COC)[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351461 ZFKWUJROYJJVDD-OAQYLSRUSA-N 396.487 2.610 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362674 DJNXYOPNZNRHMY-INIZCTEOSA-N 380.448 2.597 0 40 GFAB COc1ccc(CN(C)C(=O)c2cccc(CN3CCOCC3)c2)cc1OC 44886393 NQJOZVDENWQEBD-UHFFFAOYSA-N 384.476 2.808 0 40 GFAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224089413 PFSGMYUSBAYAEC-QGZVFWFLSA-N 396.487 2.944 0 40 GFAB O=C1[C@H]2[C@@H]([C@H]3CO[C@@H]1O3)[C@H](C(=O)c1cccs1)N1C=Cc3ccccc3[C@@H]21 49604886 LGDYBBVNBGPZAS-MYIYBEIPSA-N 379.437 2.897 0 40 GFAB biogenic COc1ccccc1N(CC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 222811845 SJINPQODVPDYEM-UHFFFAOYSA-N 390.505 2.599 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC1CCCCCC1 225395115 YEENYERNRFMRDT-UHFFFAOYSA-N 382.526 2.717 0 40 GFAB CCCC[Sn]1(CCCC)OC[C@@H](CN2CCOCC2)O1 195998306 ZGBONOUZBPJZFF-LSBIWMFESA-N 392.128 2.776 0 40 GFAB O=C(NCc1ccco1)c1ccsc1NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 225755594 KJDXXVXBZRNICE-IDTSFGKNSA-N 386.429 2.733 0 40 GFAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1C 222815808 UNJOZTIKPFTNLL-UHFFFAOYSA-N 390.505 2.904 0 40 GFAB COCCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1C(F)(F)F 225953692 QFARZZQNHDIVKJ-UHFFFAOYSA-N 377.315 2.842 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cc(C)ccc3C)ccc21 224044365 RLWNEBKJLZTNIP-UHFFFAOYSA-N 388.489 2.570 0 40 GFAB C[S@](=O)CCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 83990127 ACFXYGRIOXBXJW-HJZLCHFESA-N 396.940 2.608 0 40 GFAB CCCCOc1ccc(C(=O)N2CC(c3nc(-c4ccc[nH]c4=O)no3)C2)cc1 77099624 WAQRLTDKFXZKMY-UHFFFAOYSA-N 394.431 2.843 0 40 GFAB O=C(NCc1cccc(Cn2cnc3ccccc32)c1)NC[C@@H]1CCCNC1 584102442 GHGLFQBUUIGNSF-LJQANCHMSA-N 377.492 2.883 0 40 GFAB O=C1[C@@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1ccccn1 96111864 LMOQZLBBVDVTTC-ICSRJNTNSA-N 379.460 2.629 0 40 GFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1 96227679 OLSTXJXGPIEFSS-IEBWSBKVSA-N 390.530 2.774 0 40 GFAB CCc1nccn1CC(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257312543 UOLHPWKTDXFYES-NQIIRXRSSA-N 387.455 2.814 0 40 GFAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 260566870 YUORWLNZPSWAMF-QGZVFWFLSA-N 388.489 2.729 0 40 GFAB COc1ccccc1S(=O)(=O)N1CC(Oc2nc3ccccc3s2)C1 90594359 XISSYGFUMJTWLS-UHFFFAOYSA-N 376.459 2.757 0 40 GFAB C[C@](N)(C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1)c1ccccc1 638603219 CBUATJDRCKJAEF-JOCHJYFZSA-N 398.507 2.619 0 40 GFAB C[C@H]1CN(C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC[C@@H](C)O1 663646563 FVUGNEVJWDHLRO-OWCLPIDISA-N 389.496 2.614 0 40 GFAB OC1(Cn2cnc3c(N4[C@H]5CCC[C@H]4CC(F)(F)C5)ncnc32)CCOCC1 1614994814 PJCONRHZJOBIGS-KBPBESRZSA-N 393.438 2.524 0 40 GFAB CC(C)n1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 1615155236 INHOMGUFPYIZKS-QFIPXVFZSA-N 396.491 2.892 0 40 GFAB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1 8092313 VNMTUMVAQYBEHS-XNTDXEJSSA-N 384.775 2.793 0 40 GFAB COc1ccc(N(C(=O)c2cccc(C)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 5080723 QPPFJPDCOQYBOH-MRXNPFEDSA-N 387.457 2.970 0 40 GFAB COc1ccc(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2N)cc1OC 11692193 MVZAZGAGACCJGC-UHFFFAOYSA-N 384.411 2.583 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cn3ccnc3)cc2)cc1 12147671 OMZIUGOKFPJWBC-UHFFFAOYSA-N 396.472 2.859 0 40 GFAB CC[C@H](CN1CCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC 12239747 ZCKZZJBJEWEMAA-GOSISDBHSA-N 382.508 2.994 0 40 GFAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CCC3CCCC3)c3ncccc23)C1 19016521 NKEYSDZLZLYYFL-GOSISDBHSA-N 397.523 2.854 0 40 GFAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 19371788 MVCGPTKTIMCOBS-GOSISDBHSA-N 386.565 2.803 0 40 GFAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccc4nccnc24)C3)C1 19496600 UTKPHQWKMYNEHC-OAHLLOKOSA-N 390.491 2.508 0 40 GFAB CCc1ccc(OCc2nnc(SCCN3CCOCC3)n2CC)cc1 19522912 APBYGAWYIIIKEF-UHFFFAOYSA-N 376.526 2.864 0 40 GFAB CNc1nc(C)c(C(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)s1 19560878 XEDFVWHTXSKCMC-ZDUSSCGKSA-N 383.477 2.750 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1F 19590414 VVSMSEBAEVZHPD-MRXNPFEDSA-N 398.482 2.561 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccccc1F 151772174 BRQOTLZVNJZEPD-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(Nc2ncnc3cc(OC)c(OC)cc23)c1 5511129 BUCXOZSXXNHHES-UHFFFAOYSA-N 389.433 2.890 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)CN4CCCC4)CC3)nc2cc1OC 12230892 AYVKOHJIHJERSP-UHFFFAOYSA-N 398.507 2.636 0 40 GFAB O=C1COC[C@@H](C[C@@H]2CN(C(=O)Cn3ccc4ccccc43)c3ccccc32)N1 554058367 IUIIRJSBNCSFIO-QZTJIDSGSA-N 389.455 2.677 0 40 GFAB C[C@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C[C@@H](C)O1 257218576 DDPODEIIOUTDCW-QRXHKNKOSA-N 383.492 2.610 0 40 GFAB Cc1noc([C@@H](NS(=O)(=O)c2sccc2Cl)C2CCOCC2)n1 584273280 AQFKZBQHXBFLBW-NSHDSACASA-N 377.875 2.539 0 40 GFAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)c1nc2ccccc2c(=O)[nH]1 5982356 JDWRBGFZDXCSNG-SNVBAGLBSA-N 382.424 2.888 0 40 GFAB CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCNC2=O)cc1 40120852 OMVKIRPMHRTIGU-UHFFFAOYSA-N 395.507 2.854 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 2055719480 OSBRFLGXSQLMSJ-NNWRFLSQSA-N 379.504 2.762 0 40 GFAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)o1 206968779 HUGJWPMVIGWGLH-LLVKDONJSA-N 387.816 2.583 0 40 GFAB CCOc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 30307620 DJZVECRXNDMHIU-GOSISDBHSA-N 379.460 2.638 0 40 GFAB COC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(F)cc1 40158796 WIDZSQVAUNJIEU-QGZVFWFLSA-N 379.409 2.611 0 40 GFAB O=C(Cc1csc(N2CCNC2=O)n1)Nc1ccccc1N1CCCCC1 40114680 QOZXRONDBNBRBE-UHFFFAOYSA-N 385.493 2.844 0 40 GFAB COc1ccc(CC(=O)NCCC(=O)N2CCCc3ccccc32)cc1OC 40122573 ZFUVHWZCTYQNBT-UHFFFAOYSA-N 382.460 2.732 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)CS(=O)(=O)CCCc2ccccc2)c1 31751886 ZADDUDAFZBJJJL-UHFFFAOYSA-N 393.436 2.598 0 40 GFAB Cc1cccc(-n2ccnc2SCC(=O)N(C)CC(=O)NCc2ccco2)c1 7719465 UKECFGOMEVRTEQ-UHFFFAOYSA-N 398.488 2.641 0 40 GFAB CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 69661936 QNOWFPJLSDSCOS-OAHLLOKOSA-N 376.453 2.721 0 40 GFAB C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[C@H](O)COCc2cccs2)C1=O 51381365 XCSKAPUHYDWYSY-KSSFIOAISA-N 394.880 2.746 0 40 GFAB O=S(=O)(Nc1ccc(F)cc1OCCO)c1cccc(Br)c1 72034578 CYHKCYWRLZXXIM-UHFFFAOYSA-N 390.230 2.760 0 40 GFAB COc1cc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cc(OC)c1OC 1356566 QTGSCEUUMWQWBK-UHFFFAOYSA-N 386.433 2.903 0 40 GFAB COc1c(F)cc2c(=O)c(C(=O)NCc3ccncc3)cn(CCF)c2c1F 20734181 DYIPIUJWBRTDOC-UHFFFAOYSA-N 391.349 2.583 0 40 GFAB Cc1c(NC(=O)CCN2C(=O)CCC2=O)cccc1NC(=O)c1ccccc1 55803521 IHMHUZMVXIEJDH-UHFFFAOYSA-N 379.416 2.725 0 40 GFAB CC(=O)N1C[C@@H](C(=O)NCCc2nc3ccccc3s2)Oc2ccccc21 32741177 FBMXGCJGBXQTSB-KRWDZBQOSA-N 381.457 2.769 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC(=O)Nc4ccccc43)C2)cc1 46435388 UCTVRWMECAQZCK-QGZVFWFLSA-N 377.444 2.833 0 40 GFAB CC[C@H](N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 33040123 RCOQHIZVXGVCFI-KDOFPFPSSA-N 375.494 2.710 0 40 GFAB CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 33040120 RCOQHIZVXGVCFI-KBXCAEBGSA-N 375.494 2.710 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1S[C@H]1CCS(=O)(=O)C1 7917915 XILCYZIEXNUNDN-ZDUSSCGKSA-N 391.470 2.947 0 40 GFAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 102837741 FNVWNVGXEGGXJE-RBSFLKMASA-N 375.494 2.922 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2ccccc2n1 41819376 IEPPMOUAUGSNSU-UHFFFAOYSA-N 398.440 2.809 0 40 GFAB COc1ccccc1Cn1c(C)c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc1=O 12321654 GBKRGHHUQFXPCV-UHFFFAOYSA-N 379.391 2.985 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(C)cc(N)n2)c1 19317927 SORMAODYSYUXAI-HNNXBMFYSA-N 388.493 2.840 0 40 GFAB COCc1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)c1CCC(C)C 22448844 CUBBQWFQYBMDTJ-UHFFFAOYSA-N 388.487 2.971 0 40 GFAB COc1ccc(CCN2CNC(=S)N(CCc3ccccc3)C2)cc1OC 12371301 QCDKQZMKCOLFQR-UHFFFAOYSA-N 385.533 2.896 0 40 GFAB C[C@@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)c1ccc(-n2ccnc2)cc1 8166023 DQEDTBDMSJNIDH-OAHLLOKOSA-N 389.415 2.566 0 40 GFAB C[C@H](NC(=O)[C@H](C)n1c(=O)oc2ccccc21)c1ccc(-n2cncn2)cc1 25011244 SLKWTGDWYCMBMO-KBPBESRZSA-N 377.404 2.614 0 40 GFAB Cc1cccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1C 57670348 IQDBEQLWPSJOIY-CTNGQTDRSA-N 398.555 2.988 0 40 GFAB O=C1N[C@H](c2ccccc2F)[C@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1 12560742 YGCFZXCKJVSFPF-CPUCHLNUSA-N 382.313 2.773 0 40 GFAB O=C(CSc1nc2ccccc2[nH]1)NCc1ccc(CN2CCOCC2)cc1 12547355 DZPKIVWKZWTZKX-UHFFFAOYSA-N 396.516 2.804 0 40 GFAB CCn1c(SCC(=O)N[C@H]2CCc3ccccc32)nc2cc(C)[nH]c2c1=O 57522093 WEKUBXVVCNQXEK-HNNXBMFYSA-N 382.489 2.949 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 27067577 IPVPFRQGKLYGAY-UHFFFAOYSA-N 387.823 2.689 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 27332780 JFAGLMXLBMZYGL-HNNXBMFYSA-N 398.431 2.843 0 40 GFAB COCCOc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cn1 58139783 QOQXYRYXQKIRCR-INIZCTEOSA-N 398.463 2.989 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1nc2ccccc2s1 10287497 OPBLXLOEEBKTFO-UHFFFAOYSA-N 395.492 2.524 0 40 GFAB O=C(COC(=O)Cc1n[nH]c2ccccc12)N[C@@H]1CCCC[C@H]1C(F)(F)F 58318688 JPWNSSDUCPVZGT-TZMCWYRMSA-N 383.370 2.886 0 40 GFAB Fc1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc3n[nH]nc23)cc1 62022661 DIOAWLOPDXDILX-UHFFFAOYSA-N 379.355 2.971 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1 12678683 RXVSTRHCGACUOU-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB O=C(NCc1ccc(-n2cncn2)cc1)c1cccc(OC[C@@H]2CCCO2)c1 36397139 VCBIVNPXKXSQFI-FQEVSTJZSA-N 378.432 2.755 0 40 GFAB O=C(c1ccccc1)C1CCN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 12852644 GLDRYSRWKQTRHE-HXUWFJFHSA-N 391.471 2.702 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(NC(N)=O)cc3)ccc21 16809777 MFLKYTJGWRXNIS-GFCCVEGCSA-N 395.415 2.514 0 40 GFAB COc1ccc(CNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1OC 3402328 CSBSCISCGZEBBS-UHFFFAOYSA-N 377.824 2.759 0 40 GFAB CCNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 3500969 CORDXCUCFPWNBQ-UHFFFAOYSA-N 382.445 2.891 0 40 GFAB CC(=O)N[C@H](C)c1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 13009291 OSVXLQHYRVNOJT-GFCCVEGCSA-N 383.379 2.722 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Cl)c(OC)c(OC)c1)n2C 13140429 GBDQYRJATDLFEF-UHFFFAOYSA-N 392.843 2.561 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c1C 13359980 KNTRUTMQMNTISY-UHFFFAOYSA-N 390.461 2.535 0 40 GFAB CC[C@H](C)[C@H](NC(=O)NCC1(c2ccc(OC)cc2)CCOCC1)C(=O)OC 13593017 LTYMDNYLNNCWCJ-YJBOKZPZSA-N 392.496 2.630 0 40 GFAB COC(=O)c1ccccc1NC(=S)N1CCCC[C@H]1CCN1CCOCC1 13692644 KPNBWOPNXMQXMC-INIZCTEOSA-N 391.537 2.747 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(CN2CCCC2=O)c1 14113280 ABLWLFDEROBTQQ-SFHVURJKSA-N 380.444 2.721 0 40 GFAB Cc1c(O)ccc2c(COC(=O)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc12 5585510 AKPISBWEFVKRKA-UHFFFAOYSA-N 388.397 2.568 0 40 GFAB O=C(COc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5636357 VJQSVDOQYLMUTN-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1OC 6767115 RZPJPFMOTICQDR-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB Cc1ccc(OCc2nnc(SCC(=O)Nc3nncs3)n2C)c(C)c1 4816351 RMGZYQVMVREDBY-UHFFFAOYSA-N 390.494 2.593 0 40 GFAB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 6897614 RCNPKOLYGLPHRG-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1ccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 6994942 YWGUOYOVXAUITQ-UHFFFAOYSA-N 399.415 2.843 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1OC 15351387 BQFVQZACUXCJLN-HNNXBMFYSA-N 385.464 2.991 0 40 GFAB COc1ccc(OC)c(CNC(=O)c2sccc2NC(=O)c2cnccn2)c1 67335513 LWNGWSRTGJAALI-UHFFFAOYSA-N 398.444 2.738 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(SCC(N)=O)s2)cc1F 7300496 RLCPKOKNLWMTHI-MRVPVSSYSA-N 386.499 2.682 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccnc1 8992277 WCTWVIZRYHZSPF-TZIWHRDSSA-N 380.469 2.931 0 40 GFAB CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 7544694 VQWQZOCYVRTOFG-JTQLQIEISA-N 390.939 2.687 0 40 GFAB Cc1ccccc1COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547641 PJZBNWRAVIJSDS-INIZCTEOSA-N 398.484 2.899 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 9190937 YFUTXACWSMUBHQ-MRXNPFEDSA-N 383.423 2.814 0 40 GFAB Cc1cc(C(=O)COc2ccc(-n3cnnn3)cc2)c(C)n1Cc1ccco1 9252936 HHXFYKAYUCVSBY-UHFFFAOYSA-N 377.404 2.984 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306131050 JVIAUTCSXBNKOV-DLBZAZTESA-N 391.450 2.974 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nc(Cl)nc3nc[nH]c23)cc1 9421521 SKTZJBFMSMDZHF-UHFFFAOYSA-N 376.829 2.696 0 40 GFAB O=C(COC(=O)[C@H]1SCCc2sccc21)NCc1ccc2c(c1)OCO2 72305585 JIZXXEFOLOYCDT-KRWDZBQOSA-N 391.470 2.667 0 40 GFAB Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)c2cccnc12 95365166 AQIYTZGFXFBCSY-UHFFFAOYSA-N 377.400 2.869 0 40 GFAB O=C(Nc1cccc(Cn2cncn2)c1)C(=O)N[C@@H](c1ccccc1)C1CCC1 78758168 WBCUQHUFKVKUOL-FQEVSTJZSA-N 389.459 2.923 0 40 GFAB CCC[C@H](C(=O)NCCCOCC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 78968782 XDMLKXUASHIGRT-GOSISDBHSA-N 397.560 2.641 0 40 GFAB C[C@@](O)(c1ccccc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 22033270 MFDVLMOVSSULIJ-TZRRMPRUSA-N 396.531 2.668 0 40 GFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cccs3)n2)c(OC)c1 67767935 CPNNSEITCCQWEZ-UHFFFAOYSA-N 395.462 2.636 0 40 GFAB COc1ccccc1[C@H](NC(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1 507184611 WAJYWMLVIRWKBA-OAQYLSRUSA-N 379.460 2.801 0 40 GFAB Cc1cc(=O)c(OCC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(F)cc32)cn1C 524734456 GUQQZFDEPWIUMK-QGZVFWFLSA-N 383.423 2.887 0 40 GFAB CCN1C[C@H](CN(C)C[C@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 36385433 MQWRVHHPKKOHRH-FPOVZHCZSA-N 398.503 2.848 0 40 GFAB C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccc3nccnc3c1)C2 72347327 SUKQBJSLNICNLE-HNNXBMFYSA-N 390.491 2.650 0 40 GFAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)[C@@H]2CCCO2)cn1 72389842 LKVBSFPBTGCMAJ-IBGZPJMESA-N 377.448 2.611 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 45866046 RQUZQDYFQLECCY-UHFFFAOYSA-N 390.280 2.653 0 40 GFAB O=C(CN1CCN(CCOc2ccc(Cl)cc2)CC1)N1CCCCCC1 40162241 BOZUGVCYPPKFHC-UHFFFAOYSA-N 379.932 2.739 0 40 GFAB CC(C)OCCCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225730676 CIOMCOGLVYQQJG-UHFFFAOYSA-N 381.270 2.695 0 40 GFAB Cc1cccc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1C 223918771 NENUSNHXOHNTOH-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB Cn1ccnc1CN1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 96111792 LZGPBZGEEJKEGX-ICSRJNTNSA-N 388.471 2.989 0 40 GFAB biogenic,in-vitro O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075559 FLIIGXYNECDLFU-JTSKRJEESA-N 383.492 2.511 0 40 GFAB CC(C)CCN1[C@@]2(CCN(C(=O)C3(C)CC3)C2)c2ccccc2S1(=O)=O 96143245 IKOWVCJNASXORO-HXUWFJFHSA-N 376.522 2.965 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257210738 BVYLHJPMOUZPFY-IBGZPJMESA-N 398.478 2.725 0 40 GFAB Cn1cc([C@@H]2OCC[C@H]2NC(=O)N[C@H](Cc2ccccc2)c2ncco2)cn1 654599052 PDHLSDWRIOHFRK-KURKYZTESA-N 381.436 2.521 0 40 GFAB CCn1cc(-c2noc(CNC(=O)c3ccccc3OC(F)(F)F)n2)cn1 390829117 CTROSMLJSGTYPZ-UHFFFAOYSA-N 381.314 2.782 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827777 KCZSZNIMOLHRKA-LLVKDONJSA-N 392.239 2.765 0 40 GFAB O=C(N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C1(c2ccccc2)CCOCC1 96025369 IBNKEVGNSCYESM-FQEVSTJZSA-N 399.512 2.810 0 40 GFAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cccc(-n2cccn2)c1 390832362 YYUXEGBEHSCYAP-CYBMUJFWSA-N 390.369 2.519 0 40 GFAB C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCO1 45890703 IDTIYSQQXKXRGW-FXAWDEMLSA-N 382.460 2.771 0 40 GFAB COc1cccc(CN(C)Cn2ncc3cn(-c4ccccc4)nc3c2=O)c1 57085057 RQTFXFWPNFCPRB-UHFFFAOYSA-N 375.432 2.680 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2ccc(N3CCOCC3)nc2)cc1 36705408 ARUNBBPZIQCGIF-LNVKXUELSA-N 394.500 2.879 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)CC2)c1C 182228754 QVGCXUYEKOYXPP-IBGZPJMESA-N 381.476 2.829 0 40 GFAB COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC 1215770 NROYOGFUUAKRBH-OVCLIPMQSA-N 397.387 2.690 0 40 GFAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccc2c(c1)OCO2 3427987 ZJEFNCNCXWZAKY-ZZXKWVIFSA-N 394.177 2.966 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)cc1OC 1772595755 LFUODRQQCCJXPC-FGSXEWAUSA-N 396.487 2.674 0 40 GFAB COc1ccc(N(C(=O)c2cccc(C)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 5080719 QPPFJPDCOQYBOH-INIZCTEOSA-N 387.457 2.970 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)c1 11851696 NMPFJWNIAMWBKN-IMSKVBIZSA-N 377.437 2.638 0 40 GFAB c1cncc(-c2nc(NC[C@H]3COCCO3)ncc2-c2ccc3c(c2)OCO3)c1 12186456 IFDBRURNOOGCHQ-INIZCTEOSA-N 392.415 2.762 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc2c(c1)OCCO2 13012761 VTWLCOJYVUABQD-UHFFFAOYSA-N 394.349 2.515 0 40 GFAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 13566042 RALIYEXRIILUPE-UHFFFAOYSA-N 395.868 2.648 0 40 GFAB O=c1[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2c1CCCC2 13611841 MOLGTBOZSYMXNF-UHFFFAOYSA-N 378.398 2.994 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)ccc21 14896659 YDKBLIXBPUXPGV-KRWDZBQOSA-N 383.473 2.900 0 40 GFAB Cc1cccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)c1 15935685 LIPKJAUEWDGRIP-UHFFFAOYSA-N 380.473 2.852 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN3CCOc3ccccc3F)ncc2C1 19018622 FISBXFHKKZXMGX-IBGZPJMESA-N 384.455 2.736 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(F)cc2)N2CCCN32)cc1C 19169779 UREZEQAUZAHWSP-AQNXPRMDSA-N 379.435 2.978 0 40 GFAB CCC(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 19498971 FTWBOOZUYNERLC-QHCPKHFHSA-N 380.488 2.992 0 40 GFAB Cc1nn(CC(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)c(C)c1C 19556645 SKYZAQDXCDYTPX-UHFFFAOYSA-N 378.480 2.761 0 40 GFAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)CC[C@H]2CCCCC2=O)CC1 19573615 SHAVOHMZJRLCDA-OAHLLOKOSA-N 392.521 2.731 0 40 GFAB Cc1cc(NC(=O)CNc2ccc(-c3csc(N4CCOCC4)n3)cc2)no1 19715895 QNHOPPLWXMGQFC-UHFFFAOYSA-N 399.476 2.994 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3sc(C)nc3C)CC1)O2 12225667 YOZDDXBFHKUIJE-UHFFFAOYSA-N 385.489 2.866 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)c2cscn2)C1 13266636 VIGMKJCITNZIRN-NSHDSACASA-N 384.436 2.949 0 40 GFAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccc(-n2cnnn2)cc1 6657708 XVOJQBNLGJSAGC-UHFFFAOYSA-N 375.436 2.993 0 40 GFAB Cc1cnc(C(=O)N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)cn1 1888901177 KHXYNLWMUOECSZ-UHFFFAOYSA-N 392.463 2.636 0 40 GFAB CN(C)C(=O)c1cccc(NC(=O)CCN2C(=O)CSc3ccccc32)c1 21138080 UBNICUIRWVYOJT-UHFFFAOYSA-N 383.473 2.856 0 40 GFAB Cc1cnn(C)c1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988875 MHVLPIYZFBQLMQ-OAQYLSRUSA-N 386.471 2.656 0 40 GFAB O=C(NC[C@H]1CCC2(CCN(c3ncnc4ccsc34)CC2)CO1)C(F)F 2056226124 KXDZSTBJBQEHQS-GFCCVEGCSA-N 396.463 2.838 0 40 GFAB Cc1cccc(F)c1C(=O)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 1565555942 SOTRPTPIXUIBIG-DYESRHJHSA-N 377.456 2.666 0 40 GFAB CC(=O)N(C)[C@H](c1ccc2c(c1)OCO2)c1nnnn1-c1c(C)cccc1C 4558167 KZKJRAUDLGSSQM-LJQANCHMSA-N 379.420 2.576 0 40 GFAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)n2)c1 5409484 HTXOOTXZOWQTDO-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(F)c4)ccn3n2)cc1 7615958 UCBLPRVHRQEGFR-UHFFFAOYSA-N 392.390 2.949 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974414 GIHJPHSONLLFEA-UHFFFAOYSA-N 398.850 2.795 0 40 GFAB CCN1C[C@@H](CCN2CCOCC2=O)C(c2ccccc2)(c2ccccc2)C1=O 5852038 LLCHHQQQMSDZLP-OAQYLSRUSA-N 392.499 2.700 0 40 GFAB O=S1(=O)CC[C@@H](N(Cc2nnc(-c3ccccc3)o2)Cc2cccs2)C1 40012101 SEHLZQRAGKDBCR-OAHLLOKOSA-N 389.502 2.987 0 40 GFAB CC(=O)N[C@H](CC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1 40039415 PISURYXRNYGSLZ-OAQYLSRUSA-N 376.460 2.799 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 40121555 BMRYXUPMLOPWIU-WMLDXEAASA-N 388.537 2.866 0 40 GFAB CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(CN2CCOC2=O)c1)C(C)C 40154811 UZRAFJCDJDANDH-SFHVURJKSA-N 375.469 2.764 0 40 GFAB O=C(NCC(F)(F)F)c1ccccc1NCC(=O)N1CCc2ccccc21 11700173 JFUWLBXKACRKLC-UHFFFAOYSA-N 377.366 2.980 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1)c1ccccc1 802394 OLAQKCJJMNVLHQ-INIZCTEOSA-N 388.489 2.727 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(C)C 2434037 VONXTQXCOYFLTQ-HNNXBMFYSA-N 387.402 2.735 0 40 GFAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4C(N)=O)sc3nc12 2722991 WYZAPJYNESZEBS-UHFFFAOYSA-N 378.413 2.569 0 40 GFAB COCCCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1ccco1 4161465 QSTKXTSGSOPEQM-AWEZNQCLSA-N 378.498 2.925 0 40 GFAB C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1ccccc1F 4351712 ATMRTCKTUPLOPY-GFCCVEGCSA-N 384.363 2.663 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 20911312 POEPDMBGCBPCRV-UHFFFAOYSA-N 384.910 2.996 0 40 GFAB CCOC(=O)c1[nH]c(COC(=O)COc2ccccc2)c(C(=O)OCC)c1C 2636437 CWZUTIRZFUXDNM-UHFFFAOYSA-N 389.404 2.799 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 11999551 CBHSBSQVNPTOCD-INIZCTEOSA-N 396.896 2.692 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 32863254 WIWLJNDNNKHLMK-AEFFLSMTSA-N 379.526 2.590 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)NCc1cccc(OCC(F)(F)F)c1 46678816 DORLRZLETHHKFF-UHFFFAOYSA-N 391.349 2.654 0 40 GFAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O 12389631 YLTFJBUVTIMZMS-OAHLLOKOSA-N 391.777 2.813 0 40 GFAB CCOC(=O)c1sc2ncnc(N3CCC(C(=O)OCC)CC3)c2c1C 3015189 HHGMBDDBYJQZLQ-UHFFFAOYSA-N 377.466 2.956 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1 107234274 OLSTXJXGPIEFSS-HKUYNNGSSA-N 390.530 2.774 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1N1CCCC1=O 23989543 UNWVBZQBQJWKAZ-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 10110235 HWGPUVBMUDCGHI-INIZCTEOSA-N 390.505 2.599 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OC 10008782 SYRVIEQUZJDATK-UHFFFAOYSA-N 399.266 2.618 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCc3sccc3C2)c(Br)o1 55312964 KKOSHKZZMPBUGA-UHFFFAOYSA-N 392.252 2.549 0 40 GFAB C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 106575499 HSVGTSSLVJADAG-JKSUJKDBSA-N 380.483 2.965 0 40 GFAB NC(=O)Cc1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1 25056992 QJANGPODRDTZMQ-KRWDZBQOSA-N 375.428 2.657 0 40 GFAB Cc1cc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c2ccccc2n1 56792404 UIWNBNRMRNUIFY-UHFFFAOYSA-N 375.476 2.620 0 40 GFAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccncc1)CO3 57140134 NAFDFSOQJUYINM-UHFFFAOYSA-N 380.400 2.564 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1F 26359497 BMRDQPHLGHNLEX-CHWSQXEVSA-N 397.406 2.845 0 40 GFAB COC(=O)c1cccc(NC(=O)CN2CCC(C(=O)O)(c3ccccc3)CC2)c1 408548231 QSGZTSKVAZJLDB-UHFFFAOYSA-N 396.443 2.530 0 40 GFAB O=C(CCCNC(=O)c1ccsc1)NCc1ccc(N2CCCC2=O)cc1 10455118 SDYXUVJDZLXTEU-UHFFFAOYSA-N 385.489 2.701 0 40 GFAB Cc1cc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)ccc1F 10552066 XPJNVEWBLKCFIQ-ZDUSSCGKSA-N 376.453 2.775 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408552339 MAOAOZQOASZPBA-UHFFFAOYSA-N 379.338 2.707 0 40 GFAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCC(=O)OC)cc2oc1=O 2368734 DERUHRMRUDYODH-UHFFFAOYSA-N 382.796 2.802 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CCc1ccncc1 12803311 QNLSHVPIHQQNIW-NRFANRHFSA-N 375.476 2.600 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)no1 3410832 ODQIEOOIKDHYQH-UHFFFAOYSA-N 393.399 2.960 0 40 GFAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 16694962 PRVYDJGAFBQCJN-LJQANCHMSA-N 398.894 2.583 0 40 GFAB Cc1cccc(-n2nnnc2SCC(=O)N2CCC(c3ccccc3)=N2)c1 12974006 ZTLGVZBTWHQUBJ-UHFFFAOYSA-N 378.461 2.699 0 40 GFAB COc1cccc(-c2noc(CSc3n[nH]c(=O)n3Cc3ccccc3)n2)c1 16803453 MMSHOSWOFNKARQ-UHFFFAOYSA-N 395.444 2.971 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)c1 8267958 TXHYPEWASSPUKA-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1=O 8280711 GIILBJUUDFGFQK-UHFFFAOYSA-N 397.460 2.722 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 5450014 HHQNOOXYJPLKDK-IBGZPJMESA-N 388.807 2.915 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 15135948 ZIGJVRXOFTUOOU-QGZVFWFLSA-N 399.882 2.914 0 40 GFAB Cc1c(NS(=O)(=O)c2ccc(F)cc2F)c(=O)n(-c2ccccc2)n1C 7052108 JMRDQLQUQADAGO-UHFFFAOYSA-N 379.388 2.563 0 40 GFAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NC1CC1 7134884 QTPGVDBZRWFDDG-UHFFFAOYSA-N 388.445 2.591 0 40 GFAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(Cl)cc1Cl 8993900 VYNRMQKJJOSLNW-JTQLQIEISA-N 392.242 2.874 0 40 GFAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cccc2c1=O 9134062 REVSFBKTPLDTGH-OAHLLOKOSA-N 397.452 2.685 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 119910455 OBOKAMDNZPWDRN-LLVKDONJSA-N 377.794 2.898 0 40 GFAB CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)[C@H]1CCS(=O)(=O)C1 9536698 WGXQXMYAQKMCOL-AWEZNQCLSA-N 390.509 2.539 0 40 GFAB Cc1cc(OCCCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 71802123 VLKRAESXQXWVJS-OAHLLOKOSA-N 385.913 2.986 0 40 GFAB CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CCS(=O)(=O)C(C)C 95432472 BQXXREGSJQSKGO-FXAWDEMLSA-N 381.586 2.746 0 40 GFAB Cc1cc(C(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)c(C)n1Cc1ccccc1 95998130 UYPQRDWZOFDHCA-UHFFFAOYSA-N 393.491 2.669 0 40 GFAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4ccco4)cc3)cc(=O)n21 21796954 AXVUJHCGSJIMEI-UHFFFAOYSA-N 393.403 2.896 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20021449 QJWJOHFLQKWQHS-LJQANCHMSA-N 388.489 2.510 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3cccnc3)C[C@H]21 306131476 KFRZZVZGJFVCEY-TZIWHRDSSA-N 377.469 2.899 0 40 GFAB Cn1ccc(C(=O)N2Cc3cn(Cc4ccccc4)nc3-c3ccn(C)c3C2)n1 306132595 LNHJLKQPFXWVID-UHFFFAOYSA-N 386.459 2.826 0 40 GFAB Cc1ccccc1C[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 65694510 UZVMDLPNQNRJSO-OYHNWAKOSA-N 397.450 2.649 0 40 GFAB COc1ccc(CCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 36113268 VKUQYBISDKJGCF-UHFFFAOYSA-N 380.444 2.820 0 40 GFAB COc1cc(OC)cc(OCC(=O)NCc2nc(-c3cccs3)no2)c1 218900201 DRLKCXMNCPSNJR-UHFFFAOYSA-N 375.406 2.511 0 40 GFAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218529856 NSDWPWFPWWQESM-ULQDDVLXSA-N 386.300 2.871 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 30758637 GDCGVWDZOTUOGL-INIZCTEOSA-N 380.853 2.814 0 40 GFAB O=C(O)c1ccc(NCc2ccco2)c(S(=O)(=O)NCc2ccco2)c1 217494673 AHQJEAISWJAWCC-UHFFFAOYSA-N 376.390 2.661 0 40 GFAB CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CCNC2 72376555 QEKNVFYPIUHHCW-GOSISDBHSA-N 383.471 2.599 0 40 GFAB Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCSCC2)o1 71011606 BPDVUHUXGQHXBU-UHFFFAOYSA-N 379.503 2.892 0 40 GFAB C[C@@H]1CN(c2nccc(CN3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@@H](C)O1 72348159 FFVWDYBAQAAGGR-QZTJIDSGSA-N 399.514 2.547 0 40 GFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 79192312 UXXXQWHAZXLVOP-QFBILLFUSA-N 380.352 2.978 0 40 GFAB biogenic COC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc12 44895167 ZQKZVBKOBZEHNY-UHFFFAOYSA-N 385.323 2.568 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)s1 224543269 ZQFBVHKJXPYKRA-JTQLQIEISA-N 382.511 2.834 0 40 GFAB Cc1c(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)nnn1Cc1ccc(F)cc1 571196938 ZQJKABFDGMILOZ-LJQANCHMSA-N 397.429 2.700 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)NC[C@H](C)c2ccccc2)ccc1OC 224223420 GWOSAGUDXXFLMZ-AWEZNQCLSA-N 376.478 2.527 0 40 GFAB CCOc1ccc([C@@H](N)c2n[nH]c(CNc3ccc(OC)cc3)n2)cc1OC 95534255 IRFPDOWWOGBFCL-LJQANCHMSA-N 383.452 2.881 0 40 GFAB CC1=C/C(=C2/C(=O)NC(=O)N=C2O)C=C(C(F)(F)F)N1Cc1cccnc1 96305805 NSFPCXWYDHQWDX-UHFFFAOYSA-N 378.310 2.750 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3Oc4ccccc4NC3=O)c2c1 96221364 DZIOGYHDKYGGEW-IBGZPJMESA-N 379.416 2.625 0 40 GFAB biogenic COCCNC(=O)c1nc(-c2cn(Cc3ccccc3)c(C)n2)n2ccccc12 96155165 YBIRQSMWWDRLAP-UHFFFAOYSA-N 389.459 2.931 0 40 GFAB Cc1ncoc1C(=O)N1CC2(C[C@H](CCOc3ncccc3F)CCO2)C1 248006174 DNLPOIBIUZAKSU-CQSZACIVSA-N 375.400 2.607 0 40 GFAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2ccccc2F)C1 257249652 JJGGOFHLMURIKS-LLVKDONJSA-N 384.436 2.820 0 40 GFAB O=C(c1cnccn1)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 257230969 GERNLEGKTVSDIV-FQEVSTJZSA-N 378.407 2.815 0 40 GFAB Cc1c(C(=O)N[C@@](C)(CO)c2ccccc2)nnn1Cc1ccc(F)cc1F 616803637 HQABRTPQECIVHA-FQEVSTJZSA-N 386.402 2.551 0 40 GFAB Cc1cncc(C(=O)N2CC3(C[C@@H](CCOc4cncc(C)n4)CCO3)C2)c1 575404374 NGSSMOOCOLGRKN-KRWDZBQOSA-N 382.464 2.579 0 40 GFAB Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4c3ncc4ccccc4n3)cn2c1 585108971 IXMJDOROXFOGNZ-PMACEKPBSA-N 398.470 2.966 0 40 GFAB Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3S(C)(=O)=O)CC2)cc1 585113268 ZSSYMDDOXQNKDJ-LJQANCHMSA-N 378.538 2.590 0 40 GFAB COc1cc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)cc(OC)c1 12327655 WMJFXHUUHJOPDT-UHFFFAOYSA-N 380.448 2.888 0 40 GFAB CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 13669937 KTFXJWVYMDIROI-NRFANRHFSA-N 383.517 2.752 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 18128970 UWGPZVGPXSYDNT-SFHVURJKSA-N 398.334 2.916 0 40 GFAB CNc1ncccc1CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19018301 QVONIGGHHFOAHQ-IBGZPJMESA-N 380.496 2.545 0 40 GFAB CCCn1cc(S(=O)(=O)NCC2(c3ccccc3F)CCOCC2)c(C)n1 19526061 NVZIKWXCPMAZBR-UHFFFAOYSA-N 395.500 2.767 0 40 GFAB CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCN2CCCCCC2)C3)CC1 19588260 OFNWMUNCVNDGSN-UHFFFAOYSA-N 399.583 2.827 0 40 GFAB O=C1CC[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)NC(=O)N1 19716714 LBSKMPTZUUWJLH-AWEZNQCLSA-N 380.429 2.890 0 40 GFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)cc2n1 100138020 FVMVYQJYSOFWKY-KRWDZBQOSA-N 396.495 2.743 0 40 GFAB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 225570301 DEPMQGPLONSJPM-UHFFFAOYSA-N 379.386 2.674 0 40 GFAB COc1ccc(C)cc1CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19133309 KZCMZLCHOHWCSW-UHFFFAOYSA-N 393.487 2.741 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1cc(Cl)cc3c1OCOC3)CS2 5876742 QTTZGKAWLSDVJH-SUMWQHHRSA-N 383.853 2.704 0 40 GFAB Cc1cc(C(=O)N2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)nn1C 1888899301 NLRXEZRMSCQOLN-INIZCTEOSA-N 377.448 2.727 0 40 GFAB O=C(Cn1c(=O)n2nc(-c3ccccc3)nc2c2ccccc21)NC1CCCC1 1889078125 HBVHENRYFQSMSU-UHFFFAOYSA-N 387.443 2.770 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1 36394327 YFHBDHTYHSVSEK-DHZHZOJOSA-N 376.453 2.842 0 40 GFAB C[C@H](OC(=O)[C@H](C)OC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)C(=O)O 2061000632 BLYKQUBHCYQPHU-FHIRATQRSA-N 390.432 2.650 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cnc(O[C@H]2CCOC2)c(Cl)c1 253399200 INSHSCUICLEDTP-LBPRGKRZSA-N 376.796 2.942 0 40 GFAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)c(F)c2)C1 1204222037 QLSJWJVVCRZEBR-GDIGMMSISA-N 376.403 2.854 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1N 4855205 LGLKVERNACTSCE-UHFFFAOYSA-N 383.477 2.961 0 40 GFAB O=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1c(F)cccc1Cl 9120925 CHITXNSWVJJYJH-LLVKDONJSA-N 392.770 2.963 0 40 GFAB O=C(Cc1ccc(Cl)cc1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 9563023 YJSQLINSCGZKOI-UHFFFAOYSA-N 397.797 2.688 0 40 GFAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 10233521 KKPAJNLQUJHJRK-AWEZNQCLSA-N 379.464 2.786 0 40 GFAB Cc1cc2c(cc1NC(=O)c1ccc(OC(C)C)nc1)N(C)S(=O)(=O)N2C 575611601 GUKUMLYYAVLANU-UHFFFAOYSA-N 390.465 2.560 0 40 GFAB O=C(c1cnc2ccccc2n1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1 585502479 MKURUWAKZOKGBA-UHFFFAOYSA-N 389.459 2.616 0 40 GFAB CC[C@H](Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(=O)OC 4165195 HPJQIXNITKOGNJ-AWEZNQCLSA-N 388.449 2.852 0 40 GFAB NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102345316 YVJUVPURECJFHY-AZHAFVHUSA-N 388.489 2.967 0 40 GFAB COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC 20086295 SNGJBEACTWOCGA-SFHVURJKSA-N 397.383 2.809 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C1CCCCC1 30475986 HJBKJKVZGUBBAE-HXUWFJFHSA-N 375.444 2.774 0 40 GFAB CCc1cc2c(N3CCN(c4nnnn4-c4ccccc4)CC3)ncnc2s1 30520496 WFNPMDHCRLILAS-UHFFFAOYSA-N 392.492 2.556 0 40 GFAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@@H]12 100623633 MNXBSYVVUROKIR-NZPGVSJUSA-N 377.400 2.937 0 40 GFAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4C)cnc32)cc1 1330749 LISJOBDELRGKJK-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB CC(C)(C)OC(=O)N[C@H](Cc1cn(COCc2ccccc2)cn1)C(=O)O 2545153 IEAOAWZLUGOPJX-MRXNPFEDSA-N 375.425 2.578 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccccc1F 6678756 XQZCCFWLOPAGKR-UHFFFAOYSA-N 399.403 2.644 0 40 GFAB CCN1CCN(C(=O)c2cc3c(N4CCCC4)nc(SC)nc3s2)CC1 7604295 YAPHMJXQNFRARZ-UHFFFAOYSA-N 391.566 2.791 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708352 ZQTNVWNGBZLHFT-UHFFFAOYSA-N 388.445 2.791 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCOc1ccccc1 7986901 HNHWFASUEHZEBO-UHFFFAOYSA-N 398.484 2.703 0 40 GFAB Cc1n[nH]c(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 32932352 LLADGVHHIJZLEM-UHFFFAOYSA-N 386.433 2.742 0 40 GFAB Cc1cccc(NC(=O)NCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 32919875 TZJJCCGFGWWEEX-UHFFFAOYSA-N 394.475 2.538 0 40 GFAB Cc1cccc(N2N=C(C(=O)Nc3ccccc3N3CCOCC3)CCC2=O)c1 9220560 VNXWMOJYNMEMLL-UHFFFAOYSA-N 392.459 2.953 0 40 GFAB Cc1cc(CN2CCN([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)no1 22799934 PDWURFDLUOKLGP-OAQYLSRUSA-N 382.508 2.854 0 40 GFAB Cn1c(=O)n(CCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc21 23742202 WZHOLZAYFNTFNS-NRFANRHFSA-N 392.503 2.683 0 40 GFAB Cc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1c(F)cccc1Cl 102016393 NIVDCOBGQXXLOZ-NXNVCVFFSA-N 389.814 2.699 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 113968252 OARZKDDKAXNXOP-INIZCTEOSA-N 394.468 2.695 0 40 GFAB O=C(NCc1ccco1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102077020 PMCXEGKYIKKDNM-PJBUMPDVSA-N 388.423 2.767 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)cc1 101193732 XHJLRDJHRLTIKP-WBVHZDCISA-N 398.802 2.809 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccc(O)cc3)CC2)c1C 34868019 OXWXXDYYAOAOGV-OAHLLOKOSA-N 385.464 2.517 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)c(OC)c1 25323832 YDZGMVKKPBEBGD-LLVKDONJSA-N 390.465 2.670 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 56357625 BUROAOAENXIOPO-CQSZACIVSA-N 377.441 2.614 0 40 GFAB O=C(NCc1nnc2ccccn12)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12568910 PNGGGUSDUWXXRZ-OAHLLOKOSA-N 397.866 2.551 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 104278577 BQTQDLVHUAQOKM-OAHLLOKOSA-N 399.274 2.900 0 40 GFAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1ccc(-c2nccs2)cc1 26487689 ANRPMPJGUVIHSY-UHFFFAOYSA-N 378.413 2.864 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2OC)c1=O 44839975 UWFIDXBQLMSEIX-CQSZACIVSA-N 381.432 2.782 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cc1 3268298 PLNZCUGLUFJRDT-MRXNPFEDSA-N 396.852 2.793 0 40 GFAB NC(=O)c1cccc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 58407237 XGBNTNZRUDBUIF-UHFFFAOYSA-N 395.864 2.715 0 40 GFAB COc1cccc(COC[C@H](O)CN2CCO[C@@H](c3ccc(F)cc3)C2)c1 58576453 MZPUOAFWEYJTAM-TZIWHRDSSA-N 375.440 2.785 0 40 GFAB COC[C@H](C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2347991 BURVHYLWGFCMGP-LBPRGKRZSA-N 380.404 3.000 0 40 GFAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCCCC4)C3=O)ccc2c1 3350050 FLYADQORINOBJN-QFIPXVFZSA-N 395.459 2.628 0 40 GFAB Cn1nc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O 3332276 YOLXEDLTEQEVBY-UHFFFAOYSA-N 388.326 2.575 0 40 GFAB COC(=O)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 12793968 XPZRHFQWYOQEFC-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3C)CC2)c1 12825312 WHZJRJVIHXTIRT-UHFFFAOYSA-N 387.505 2.719 0 40 GFAB COc1cccc(CNC(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)c1 23055229 QVEBATUVUQVWLH-UHFFFAOYSA-N 399.443 2.916 0 40 GFAB O=C(O)C[C@@H]1Sc2nnc([C@@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 13182937 LDLNZPMXUNJJTA-RYUDHWBXSA-N 378.841 2.984 0 40 GFAB Cc1nc(NC[C@@H](O)COc2cccc(Cl)c2Cl)c2cnn(C)c2n1 63267061 LPBAWMGRAHUPSN-SNVBAGLBSA-N 382.251 2.830 0 40 GFAB C[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccccc1 4284950 UAYKHNMTGLYODT-WAIKUNEKSA-N 391.471 2.690 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 18181375 QKDOBRDDTBQGDK-IBGZPJMESA-N 394.519 2.648 0 40 GFAB CCn1cc(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)c(C(N)=O)n1 28238949 QZVMWECACNPRFH-UHFFFAOYSA-N 396.403 2.629 0 40 GFAB CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc(C(N)=O)c1C 5473793 NOPZQZHNCQENJL-UHFFFAOYSA-N 392.433 2.602 0 40 GFAB Cc1cccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)c1C 6507728 XFQGVSIYCOTVFP-UHFFFAOYSA-N 390.487 2.821 0 40 GFAB COc1ccc(NC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)c(OC)c1 6660640 MIWWEERABAYOGR-UHFFFAOYSA-N 385.372 2.711 0 40 GFAB Nn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1cccs1 6945074 VZSMFWILEFFVNA-UHFFFAOYSA-N 379.898 2.782 0 40 GFAB COc1ccc2c(=O)c(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)c[nH]c2c1 67177351 GPJDGRRRWFDDGT-IBGZPJMESA-N 382.391 2.890 0 40 GFAB COc1ccccc1N1CCN(C(=O)CN2CCC[C@H]2c2cccn2C)CC1 7251265 JVORVSKCVODWRS-IBGZPJMESA-N 382.508 2.519 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)ccc1OC 20024759 BXVXCMRBWAEXQI-GFCCVEGCSA-N 394.518 2.816 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)n[nH]2)c1 8984117 SSCLBQTZMBXBEO-UHFFFAOYSA-N 399.476 2.755 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Br)ccc1O 8982595 QSPJFVGVHVJZTJ-UHFFFAOYSA-N 388.221 2.663 0 40 GFAB C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1cccc(N2CCCC2=O)c1 68654872 UKINZOFKFOTYNG-INIZCTEOSA-N 393.491 2.697 0 40 GFAB NC(=O)COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 96319001 PVUKIFGMWYAODU-HOTGVXAUSA-N 383.839 2.942 0 40 GFAB O=c1c2ccc(F)cc2ncn1C[C@H](O)COc1ccc(Br)cc1 9690512 DUDJIFNCODZSPD-ZDUSSCGKSA-N 393.212 2.738 0 40 GFAB CN(C)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)c(C(N)=O)c1 95454791 OTBLSQPJLUVIND-VMPITWQZSA-N 378.226 2.859 0 40 GFAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](CCCO)c1ccccc1 89740986 VDXAPIYOQQVROA-VQTJNVASSA-N 397.454 2.534 0 40 GFAB COCCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 113964936 SMZRJQZRDIJTMY-UHFFFAOYSA-N 390.505 2.646 0 40 GFAB COc1cccc(OC)c1C(=O)NC[C@H](c1cccs1)N1CCOCC1 23105647 IUNIWRXLMZGQKE-CQSZACIVSA-N 376.478 2.569 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1cccc(F)c1)O2 64988604 BRQGLMBYMAPCFQ-KRWDZBQOSA-N 378.425 2.690 0 40 GFAB O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCC[C@H]1COc1ccc(F)cc1 510805748 BTHPVDRPDJAPEQ-ZDUSSCGKSA-N 391.424 2.640 0 40 GFAB CN1C(=O)C[C@@H](C(=O)Nc2cnc(-c3ccccc3)s2)[C@@H]1c1ccnn1C 516589685 GEHWWUHFEOTRCU-CXAGYDPISA-N 381.461 2.702 0 40 GFAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cnn1C 32878762 UQANRPAWXXDUNY-UHFFFAOYSA-N 376.482 2.546 0 40 GFAB CC(C)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)n2)C1 72399209 RLQMQYYSZBJAFA-KBAYOESNSA-N 386.540 2.720 0 40 GFAB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648969 VMJSDWNYENWXNE-BZFUBLJMSA-N 389.813 2.608 0 40 GFAB CN1C(=O)N(CC(=O)Nc2nc(C(C)(C)C)cs2)C(=O)C12CCCCC2 71284390 FJVPXNGMMIZYKU-UHFFFAOYSA-N 378.498 2.976 0 40 GFAB CCCNC(=O)[C@@H]1CN(C(=O)COc2cccc(C(C)=O)c2)c2ccccc2O1 32678557 MAHARJMILHFHIE-FQEVSTJZSA-N 396.443 2.588 0 40 GFAB CN(C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCN2CCO[C@H]1C2 564709040 MPCGGDSKMKLILV-SJORKVTESA-N 390.484 2.810 0 40 GFAB CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)cc1 38486387 JPEUWKZJYKIFQJ-UHFFFAOYSA-N 383.448 2.661 0 40 GFAB Cn1c(=O)ccc2ccc(NC(=O)N3CCC4(C3)Oc3ccccc3O4)cc21 561812035 XMSPYMOFDISNEP-UHFFFAOYSA-N 377.400 2.944 0 40 GFAB COCc1cccc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 223697944 DUAYYUOQEFNZIK-AWEZNQCLSA-N 392.477 2.635 0 40 GFAB CSc1ccccc1CN1CCC(CNC(=O)c2cccn(C)c2=O)CC1 43991140 AOSJOOWVBXSGKU-UHFFFAOYSA-N 385.533 2.749 0 40 GFAB O=C1CC(c2cccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)c2)CC(=O)N1 573063968 LTXPLRWGTBZQIA-KFZJALRRSA-N 396.365 2.501 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 191448779 AKIDNBUQUDBBPA-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(C)c1 223290463 MRGUERCOPMKXFB-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB O=C(O)c1cn([C@H]2CCN(c3ccnc4cc(C(F)(F)F)ccc34)C2)nn1 576696435 NKLITYPHDCRWFT-NSHDSACASA-N 377.326 2.995 0 40 GFAB CCc1ccc(NC(=O)N2CCc3nc(N4CCOCC4)nc(C)c3CC2)cc1 96254838 LBSXIPBEBTWOAC-UHFFFAOYSA-N 395.507 2.817 0 40 GFAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@H]3C1=O 249686112 GOPIUFURVJPNIZ-BZDHPDOMSA-N 384.451 2.513 0 40 GFAB Cc1c(C(=O)N2CCCC[C@H]2C(=O)O)cnn1-c1ccc(C(F)(F)F)cn1 584908615 FDDDXOHAEGUPJX-ZDUSSCGKSA-N 382.342 2.674 0 40 GFAB CCn1ccc(NC(=O)[C@@]2(C)CCCCN2C(=O)c2cnc(C(C)C)nc2)n1 257235849 GZUPJRBWERGTMP-HXUWFJFHSA-N 384.484 2.840 0 40 GFAB COC(=O)c1cnc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cn1 539955964 PGTLBICIHSVBNI-UHFFFAOYSA-N 392.253 2.733 0 40 GFAB C[C@@H]1CCn2cc(C(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)nc2C1 630752380 PIANZYKKBLCBIT-QGZVFWFLSA-N 394.519 2.819 0 40 GFAB O=C(O)c1cccc2c1CN(C(=O)[C@H]1C[C@H]1c1ccc3c(c1)OCCO3)CC2 649258086 HKHMDHXWRSYGNW-IRXDYDNUSA-N 379.412 2.844 0 40 GFAB CN1CCN(c2cc(C(=O)Nc3ccc(O[C@H]4CC4(F)F)cc3)ccn2)CC1 620277437 NOLMEIUPQNXBIC-KRWDZBQOSA-N 388.418 2.872 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](OCCO)c1ccc(C)cc1 96338067 WSDQRQXZOISXFR-IBGZPJMESA-N 393.505 2.649 0 40 GFAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106032 GFAGEKPXIQXZHI-LZQZEXGQSA-N 387.499 2.524 0 40 GFAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(OC2CCCC2)c1 585295352 WHYTZQBNFDFCJG-UARRHKHWSA-N 397.515 2.518 0 40 GFAB O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 585149302 HUBANNAXVHYBFY-HNNXBMFYSA-N 392.381 2.538 0 40 GFAB CC1(C)[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC[C@]1(C)C(=O)O 96118989 HFUAESWMTIGHCA-DYESRHJHSA-N 376.472 2.997 0 40 GFAB O=C(Cc1c(F)cccc1Cl)N1CCCc2cnc(N3CCOCC3)nc21 675007578 GWZQQVJRCPJYIG-UHFFFAOYSA-N 390.846 2.628 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)NCCCc4ccccc4)nc(C)n32)o1 12115512 WSSWEFAAFHEMBF-UHFFFAOYSA-N 378.432 2.608 0 40 GFAB Cn1ccnc1-c1cnc(N2CCC(C(N)=O)CC2)nc1-c1ccc(Cl)cc1 12221774 LGQWOWMNORVAIM-UHFFFAOYSA-N 396.882 2.899 0 40 GFAB Cc1ccc(CN(C)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 12916967 MOOQVQZGANKROZ-HXUWFJFHSA-N 392.565 2.694 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 12981658 JLOUKNGBLMWLBG-AWEZNQCLSA-N 378.425 2.535 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccccc1)S(C)(=O)=O 13711806 SLSKTMPZOLHVMU-INIZCTEOSA-N 376.434 2.568 0 40 GFAB CCn1ncc(-c2cc(C(=O)N[C@H]3CC(=O)N(c4ccc(F)cc4)C3)on2)c1C 19665069 RMTMLOURPKZXIB-AWEZNQCLSA-N 397.410 2.541 0 40 GFAB CCC(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700994 WTXFPIZEYMIATC-AWEZNQCLSA-N 399.470 2.571 0 40 GFAB CC(=O)N1CCc2nnc(C3CCN(Cc4ccccc4Cl)CC3)n2CC1 19708961 ZBMXDEUOWZWEKC-UHFFFAOYSA-N 387.915 2.716 0 40 GFAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)CC3CCCC3)c2n1 8946376 QRRFEFROKOYWAG-UHFFFAOYSA-N 388.541 2.845 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)cc1F 12085235 FJAHLYSNMMJIBG-ZDUSSCGKSA-N 387.440 2.854 0 40 GFAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)NC[C@H]1CCC2(CCCC2)O1 654539108 WXAWFEDXFHHZAN-QGZVFWFLSA-N 387.459 2.757 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4sccc4C)C[C@@H]32)c(OC)n1 253599930 YHLICBBCJHVUCT-DKICVRJWSA-N 389.521 2.983 0 40 GFAB CCNC(=O)NC(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 6038518 XLEGMYOYQKAGDT-UHFFFAOYSA-N 384.461 2.972 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912729 XFUHYBOVIQGDRB-LJQANCHMSA-N 397.443 2.950 0 40 GFAB CCCn1nccc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985554 NPMMHTPYORAUBJ-QFIPXVFZSA-N 396.491 2.721 0 40 GFAB Cc1ccc(Cn2c(=O)c3c(nc4n(C(C)C)c(C)c(C)n34)n(C)c2=O)cc1 4370582 QAKHFPJMJUTGSV-UHFFFAOYSA-N 379.464 2.704 0 40 GFAB CCCOc1ccnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 9572013 MSCCYHYPHQXIQX-UHFFFAOYSA-N 377.803 2.725 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccco2)cc1 15390863 VMXSHHRMEGKSFK-INIZCTEOSA-N 376.478 2.838 0 40 GFAB O=S(=O)(CCc1ccccc1)NCCCN1CCO[C@@H](c2ccccc2)C1 36700291 NDBPHVDSMWNVOQ-OAQYLSRUSA-N 388.533 2.612 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575611852 YMNIPQSYDGRMLU-CQSZACIVSA-N 384.413 2.766 0 40 GFAB CN1C(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2C1=O 40069603 GEKOIKRBQGZLJM-NSHDSACASA-N 397.818 2.557 0 40 GFAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)C1CCN(c2ccc(Cl)nn2)CC1 225405600 JUIUOTIUIWZUJS-IAGOWNOFSA-N 391.947 2.727 0 40 GFAB biogenic Cc1c(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cnn1C 40070208 UBEMUJLEZLWGET-UHFFFAOYSA-N 399.495 2.949 0 40 GFAB Cc1ccc(-c2noc(CS(=O)(=O)CCC(=O)Nc3ccccc3)n2)cc1 40070197 UYVPGQWBPCQSAZ-UHFFFAOYSA-N 385.445 2.989 0 40 GFAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC[C@@H](C)C1 40146733 IPDSMUURMRECIW-OWCLPIDISA-N 377.916 2.930 0 40 GFAB CN(C)CCCN1CN=C2N[C@@H](c3ccccc3)n3c(nc4ccccc43)N2C1 20101271 IABDOQOBOHHPEU-HXUWFJFHSA-N 389.507 2.531 0 40 GFAB C[C@@H]1CCc2sc3nc(NCCCN4CCOCC4)n4ncnc4c3c2C1 20479426 SBLUFIBRJAXNAJ-CYBMUJFWSA-N 386.525 2.598 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 31810754 QKAJOVZDDLMDPO-HNNXBMFYSA-N 395.423 2.761 0 40 GFAB CNC(=O)C1CCN(C(=O)c2cc(-c3cccs3)nc3onc(C)c23)CC1 11837327 DPDMDLYWGBHSNK-UHFFFAOYSA-N 384.461 2.858 0 40 GFAB O=C(O)C1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20722815 QJVABMADZQATDM-CQSZACIVSA-N 381.226 2.853 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCCC[C@@H]1C 3583478 PIGMKYOBKOJELR-ZDUSSCGKSA-N 382.302 2.687 0 40 GFAB C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1 4077381 XDZNAPQOYBYPDF-MRVPVSSYSA-N 383.445 2.826 0 40 GFAB C[C@H]1[C@@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2c1ccc(Br)cc1 4772770 JKBNGUTWVQJJLM-HJPIBITLSA-N 395.301 2.815 0 40 GFAB O=c1nc2n(Cc3c(F)cccc3Cl)cccc-2c(=O)n1Cc1cccnc1 32615418 APXWCLCVQNZPDX-UHFFFAOYSA-N 396.809 2.794 0 40 GFAB COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(C)cc1 4890292 ABJTWCKXVNVUSK-MRXNPFEDSA-N 390.509 2.591 0 40 GFAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@H]1C 6100034 BQJXBYONTMNTDU-IOASZLSFSA-N 380.872 2.696 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1Cl 6362125 KFHWFZLMFZPWKK-UHFFFAOYSA-N 385.825 2.701 0 40 GFAB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C 6654652 LSLDBZHNOZSSDA-ZROIWOOFSA-N 375.421 2.795 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)N(C)c3ccccc3)CCC2=O)c1 7986134 ONYMIZADVSTRNA-UHFFFAOYSA-N 393.443 2.992 0 40 GFAB Cc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)o1 32779824 DTBMPNWSFFGEDR-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)c3cccnc3N3CCCC3)cn2)n1 46312300 WOQICOAHQZILLR-UHFFFAOYSA-N 376.464 2.809 0 40 GFAB CCCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n[nH]c1=O 8824687 DMVGWVMYGDSTCG-UHFFFAOYSA-N 376.404 2.937 0 40 GFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(=O)[nH]c2ccccc12 32854714 SXAHHMLXACJGPH-UHFFFAOYSA-N 384.819 2.925 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1 32899910 LFVIRWIEAHGVJH-UHFFFAOYSA-N 394.880 2.638 0 40 GFAB COc1cc(C)c(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC 32915776 IEJHVYNFZREOOF-HNNXBMFYSA-N 375.469 2.879 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 32988875 CICBSEVHUZKRMG-GOSISDBHSA-N 382.420 2.802 0 40 GFAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ncnc3c2cnn3-c2ccccc2)C1 100629097 QWYGLTNELAHRCK-HOTGVXAUSA-N 384.443 2.601 0 40 GFAB CC(C)CN1[C@@H](Cc2ccc3c(c2)OCO3)[C@@H](O)c2ccccc2S1(=O)=O 12389764 QNCNOGSTSPIXOJ-JXFKEZNVSA-N 389.473 2.720 0 40 GFAB O=c1cc(CN2CCN(Cc3ccccc3)CC2)nc2sc3c(n12)CCCC3 22789330 FRHSUUQQUYHELF-UHFFFAOYSA-N 394.544 2.953 0 40 GFAB Cc1cc(Cl)ccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 886885 KJDXROQGRVAUEE-UHFFFAOYSA-N 392.908 2.999 0 40 GFAB CCONC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 23422292 SKCYAMHDVOIHNX-UHFFFAOYSA-N 386.832 2.986 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3185448 KPMDOPOHIWJJAZ-UHFFFAOYSA-N 376.478 2.957 0 40 GFAB C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 12539327 FXKZILGJUJZDQS-YIORLJKJSA-N 377.510 2.998 0 40 GFAB C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc(-n2ccnc2)cc1 12541496 MJHBTVOTPFPUMN-CYBMUJFWSA-N 379.445 2.521 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccco1)N1CCCC1 12599082 BXSPEHCIFPNZJI-LJQANCHMSA-N 381.476 2.902 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 12566209 NIEUQCDOOMAGFN-UHFFFAOYSA-N 394.383 2.500 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1c1ccc(F)cc1 25361579 CLVSRHSSUJYGKY-GOSISDBHSA-N 399.466 2.880 0 40 GFAB O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[C@@H]1CC(=O)N(C2CC2)C1 56274347 POTUJNMUIPSQJS-IUODEOHRSA-N 378.856 2.847 0 40 GFAB CN(C[C@H]1CCCN(C(=O)NCCc2ccccn2)C1)C(=O)OC(C)(C)C 58032192 GYJJNMJWPPQUOJ-MRXNPFEDSA-N 376.501 2.913 0 40 GFAB CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CCC)C(=O)O)ccc12 2148342 XRMYOOPCIFVNGG-OAHLLOKOSA-N 375.421 2.802 0 40 GFAB biogenic O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccco1 20984042 SHDBCUAYKHEKLT-UHFFFAOYSA-N 391.459 2.745 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N2CCOCC2)cc1 10863267 SNLIWVCBCMZZPE-MRXNPFEDSA-N 381.428 2.630 0 40 GFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)no1 36408676 BDFUVTDEFSZWME-UHFFFAOYSA-N 397.262 2.686 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(F)c1 12776099 JTELBUCCOSHVBJ-OAHLLOKOSA-N 392.452 2.844 0 40 GFAB CCCCc1nc(CN2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)no1 48309043 FBSASOOMBNXJIM-UHFFFAOYSA-N 392.525 2.536 0 40 GFAB O=C(N[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)c1ccccn1 3615049 AWGQLKMIAULMQW-FQEVSTJZSA-N 389.411 2.963 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2OC)cc1OCC 3621767 QZPKYDKBQMZHKP-UHFFFAOYSA-N 387.432 2.966 0 40 GFAB COC(=O)c1ccc(OCc2nnnn2-c2ccccc2)c(Br)c1 13006674 ZPLHGFCPTOLJAE-UHFFFAOYSA-N 389.209 2.790 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 5209117 NNRRBNRQACDORX-NSHDSACASA-N 375.498 2.716 0 40 GFAB Cc1ccc(/C=C/C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)s1 14181064 VNRSVFVZBURLIM-SGQUHAKNSA-N 398.484 2.723 0 40 GFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cc(Br)ccc1F 65625581 REPGTIIETNYAOM-UHFFFAOYSA-N 380.173 2.656 0 40 GFAB CN(CC(=O)N[C@@H]1CCSc2ccccc21)S(=O)(=O)c1ccc(F)cc1 6652265 DSYFIMHBQXQETE-MRXNPFEDSA-N 394.493 2.800 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(CCO)cc3)cc2O1 6623957 UITSZVKIKIGCDP-UHFFFAOYSA-N 385.416 2.688 0 40 GFAB biogenic CN1CC(=O)N(CCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1=O 8883640 URHQFHWRXMVPSD-CQSZACIVSA-N 386.477 2.634 0 40 GFAB CCCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(C)cc1 6751868 UFYKUJOUBVFEHW-UHFFFAOYSA-N 388.536 2.900 0 40 GFAB Cc1ccc(OCC(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)cc1C 4860592 NRAZNWCBIVAEKT-GOSISDBHSA-N 393.365 2.965 0 40 GFAB COC(=O)Cn1c(C)c(CCc2ccccc2)c(=O)n2c3ccccc3nc12 9262106 LCBZBCAXXPQBNT-UHFFFAOYSA-N 375.428 2.916 0 40 GFAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)c(C)c1 4932226 HJFLVWJMQQFNOF-UHFFFAOYSA-N 398.484 2.921 0 40 GFAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc2c(c1)OCCCO2 19298122 SCZVRZLVUZBSEJ-HXUWFJFHSA-N 397.427 2.605 0 40 GFAB O=C(NCc1cccc(Cl)c1)c1ccc(=O)n(CCOc2ccccc2)n1 15513904 QQJNYJYQEOHFEQ-UHFFFAOYSA-N 383.835 2.906 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC(c4ccccc4)=N3)C(=O)[C@@H]2C)cc1 9053795 JLROPFYGORFOCQ-INIZCTEOSA-N 390.443 2.789 0 40 GFAB COc1ccc(/C=C(\NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)NCCO)cc1 15944906 IGVMMRUYCSRGFF-HKWRFOASSA-N 396.487 2.872 0 40 GFAB COc1cccc([C@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)c1 7716562 DNTYKDHCBMIEIA-OALUTQOASA-N 390.443 2.620 0 40 GFAB CCCCn1c(COC(=O)c2cccs2)nc2cc(S(N)(=O)=O)ccc21 7901122 LLNJFXNSZCVYTB-UHFFFAOYSA-N 393.490 2.902 0 40 GFAB COc1cccc(C(=O)Nc2cc(=O)[nH]c3nc(-c4ccc(Cl)cc4)nn23)c1 9318499 BJCFGSJARIHWIJ-UHFFFAOYSA-N 395.806 2.999 0 40 GFAB CCOC(=O)C[C@H](c1ccc(C(F)(F)F)cc1)c1oc(CO)cc(=O)c1O 96335755 APMGRJGDMSADRW-CYBMUJFWSA-N 386.322 2.942 0 40 GFAB O=C(NCCNC(=O)c1cc2ccccc2o1)c1ccc(Br)o1 9577295 XXSNIDBWNHKGKX-UHFFFAOYSA-N 377.194 2.948 0 40 GFAB CC(C)(C)[C@H]1NC(=O)N(Cc2cc(Br)c3c(c2)OCCO3)C1=O 97045822 UVOVUEMXNMTJLQ-ZDUSSCGKSA-N 383.242 2.687 0 40 GFAB COCCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 79478825 RAUCSXGWDZKPBW-UHFFFAOYSA-N 380.400 2.671 0 40 GFAB CCO[C@H](C)c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 97573146 VXYRJZHZYZNFIQ-SECBINFHSA-N 379.214 2.688 0 40 GFAB Nc1cnc(Br)cc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 95466519 LAXAVNSTRIGJMF-HNNXBMFYSA-N 390.237 2.603 0 40 GFAB Cc1nc2cc(C(=O)N3CCO[C@@H](CC(=O)O)C3)ccc2n1-c1ccccc1 95970715 PHDFTYYPTFYMEY-KRWDZBQOSA-N 379.416 2.650 0 40 GFAB CCONC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 23422396 WNCUKUUHKMYPGK-UHFFFAOYSA-N 399.266 2.931 0 40 GFAB CCc1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c(-n2cnnc2)c1 32646900 JJCDPXPBKCGWQX-UHFFFAOYSA-N 382.420 2.864 0 40 GFAB COc1cc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c2c1OCO2 35326321 XWBDFUFOCGQUIW-NSHDSACASA-N 395.367 2.715 0 40 GFAB COc1c(CNc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)nn1C 512370193 MNKPRILNVYFJMR-UHFFFAOYSA-N 392.525 2.832 0 40 GFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCNc1ccccc1 524729705 FREDAJVMKUTJLE-JLMWRMLUSA-N 379.460 2.715 0 40 GFAB biogenic Fc1ccc(-n2ncc3c(N4CCCCC4)nc(NN4CCOCC4)nc32)cc1 36656928 UFMPIVHRKWIJPV-UHFFFAOYSA-N 397.458 2.604 0 40 GFAB CCOc1ncccc1C(=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 36662277 ZFUGHOWORDPFMQ-UHFFFAOYSA-N 381.388 2.837 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 35485115 ZWYCYSSVDBSDKV-CZAAIQMYSA-N 377.488 2.569 0 40 GFAB biogenic O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccncc1 40266483 GYKFGNDNSAHYSH-UHFFFAOYSA-N 395.488 2.759 0 40 GFAB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccccc1F)S(C)(=O)=O 220588406 YVCJRKHCQMLPOZ-SFHVURJKSA-N 390.480 2.955 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2C)cc1OC 224805211 ZXTXQXTXLGFTNQ-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB COCCCNC(=O)[C@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 40287666 JAWXPUJTVUJDQO-AWEZNQCLSA-N 388.537 2.939 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)c1 222643507 MLHRMLTZUZIKMZ-UHFFFAOYSA-N 392.462 2.509 0 40 GFAB CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 226070658 JYEWIDWVUCAHFJ-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB COc1ccc(NC(=O)c2cnc(N3CCc4ccccc4C3)nc2N)cc1 49401540 TXNOBAHSEVJZBD-UHFFFAOYSA-N 375.432 2.882 0 40 GFAB CCN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 226048664 WSVGTTYLIITOFI-UHFFFAOYSA-N 394.880 2.776 0 40 GFAB Cc1cc(C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)ccc1-n1cccn1 577379554 JQBOYDRGOMGKMC-SFHVURJKSA-N 392.463 2.570 0 40 GFAB CC(C)(C)c1ccc(OC[C@@H](O)CNC2CCC(CS(C)(=O)=O)CC2)cc1 579703934 NHDGCSSDVSAUQO-KVZIAJEVSA-N 397.581 2.917 0 40 GFAB COc1ccc(C(=O)N2CC[C@@H]3CN(CCC(C)C)S(=O)(=O)[C@@H]3CC2)cc1 96145548 PIDWDYMOSPTVDO-IEBWSBKVSA-N 394.537 2.608 0 40 GFAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(C(=O)COc1ccccc1)CC2 257237139 HFHXLUATZDPFBX-UHFFFAOYSA-N 389.459 2.930 0 40 GFAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CCN)nc(C2CC2)n1 257287882 PRWJBFJVFZUKTG-KRWDZBQOSA-N 378.480 2.626 0 40 GFAB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1602191162 DUZANTULFOFQDE-BEFAXECRSA-N 378.428 2.814 0 40 GFAB Oc1cc(CCc2cccc(Cl)c2)nc2c(CNCC3CCNCC3)cnn12 257239660 HQHBWLLEFAKFTL-UHFFFAOYSA-N 399.926 2.963 0 40 GFAB NC(=O)c1cc(O[C@@H]2CCN(C(=O)c3csc(-c4ccccc4)n3)C2)ccn1 253472825 PRTMPJXVOCHYCT-OAHLLOKOSA-N 394.456 2.598 0 40 GFAB CC(=O)N1CC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)NCC3)c2ccccc21 677487675 BMLQOXYDXILCQR-SFHVURJKSA-N 378.432 2.592 0 40 GFAB O=C(NCCCn1ccnc1-c1ccccc1)C(=O)Nc1cc(F)ccc1F 90583459 KHHOQCQEJQNPEX-UHFFFAOYSA-N 384.386 2.973 0 40 GFAB COc1ccccc1NC(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096663 VAMBWGQINIWVOE-UHFFFAOYSA-N 399.476 2.939 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC2(CC1)OCCCO2 96120506 FAEHKORIOCDZQQ-UHFFFAOYSA-N 381.372 2.503 0 40 GFAB COC1(CNC(=O)C(=O)Nc2ccc(F)cc2F)C2CC3CC(C2)CC1C3 96123918 UMSUNOSGNLXHKH-UHFFFAOYSA-N 378.419 2.861 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)c1C 390828764 UDDILJGRKCHHQD-INIZCTEOSA-N 379.457 2.691 0 40 GFAB O=C(Cc1cccs1)OCc1cc(=O)n2cc(Br)ccc2n1 5786308 WEFWBGATGFBGMJ-UHFFFAOYSA-N 379.235 2.804 0 40 GFAB Cc1nn(CC(=O)N[C@@H](C)CCc2ccco2)c(=O)c2cc3ccsc3n12 12146462 HVFVATJAJKTZTP-LBPRGKRZSA-N 384.461 2.750 0 40 GFAB COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)c(OC)c3)C[C@H]2C(=O)O)cc1 12181325 CVUPPXDQIYDTTD-DLBZAZTESA-N 385.416 2.653 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cc1ccncc1)c1ccccc1O2 12222463 KVDLIDFPOZIGLN-PGRDOPGGSA-N 379.460 2.645 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)Nc2ccc3c(c2)CCC3)n1 12735278 ONVDQNWOWSSRCP-OAHLLOKOSA-N 391.475 2.949 0 40 GFAB O=S(=O)(c1ccc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)cc1)N1CCCC1 13534736 RHWDMARSDXRTNQ-AWEZNQCLSA-N 394.522 2.571 0 40 GFAB CCOc1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)cc1OCC 14405860 PINQJCRZZRIKEH-UHFFFAOYSA-N 395.419 2.712 0 40 GFAB O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 19657787 LZFUQKJXQGBODL-ZDUSSCGKSA-N 392.385 2.881 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3ccc4ncn(C)c4c3)C2)c1 19750449 SCFUKSDHAVYBLY-HNNXBMFYSA-N 378.432 2.683 0 40 GFAB Cc1cc(S(=O)(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)ccc1OC(C)C 571708178 UBHNWNBMDOOINO-LJQANCHMSA-N 383.510 2.741 0 40 GFAB Cc1nc(C)c(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)s1 1888876464 UOTXFYPDIHCPLX-HDICACEKSA-N 391.562 2.654 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238929544 UYNZNBWWGMNJHV-GJYPPUQNSA-N 377.400 2.619 0 40 GFAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 245053470 OVUPFLNVXXZNIM-UHFFFAOYSA-N 397.435 2.726 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)c3ccccc3Br)CC2=O)cc1 5195336 OVDGMGBEAVBYRM-LBPRGKRZSA-N 389.249 2.993 0 40 GFAB CC(C)N1CC2(CN(C(=O)c3ccnc(C(F)(F)F)c3)C2)c2nccnc21 2055793492 KHMQTAQQVPQCQW-UHFFFAOYSA-N 377.370 2.513 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCO[C@@]2(CCCN(c3nncs3)C2)C1 2055822713 LMPHFPRZDCGYGJ-KRWDZBQOSA-N 378.885 2.703 0 40 GFAB CCCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 23145027 ZEKVHKVAQCKPRE-UHFFFAOYSA-N 383.514 2.807 0 40 GFAB O=C1CC[C@@H](C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)CN1 1889967513 ATXNBNJWABPTDX-QGZVFWFLSA-N 378.476 2.739 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2nccnc2-c2ccoc2)cc1F 575620345 MGHJDXNWFHXKNG-UHFFFAOYSA-N 377.397 2.753 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)n2cccn2)cc1F 575613660 JPSJINZVOTZKDE-OAHLLOKOSA-N 379.413 2.582 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575614157 XCIPJRXNZPNIRO-CQSZACIVSA-N 385.848 2.810 0 40 GFAB COc1ccc([C@H](CNC(=O)/C=C/c2ccccc2)N2CCOCC2)cc1OC 30032482 OLQGFRJWHHHODR-ZBWUASRJSA-N 396.487 2.907 0 40 GFAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 40145182 VKSZJPMCIASBIY-SNVBAGLBSA-N 375.450 2.701 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)NC[C@@H](c3ccco3)N(C)C)cn2)C[C@@H](C)O1 40121069 VFXDGFIUJNPKDQ-UXLLHSPISA-N 387.484 2.713 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 100476723 FKADNBRTKJTMNF-UHFFFAOYSA-N 375.837 2.995 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)c1 11360672 FIFJSNJRYZRPKK-UHFFFAOYSA-N 399.472 2.962 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 16199840 ANLVBZXJRVMQKG-GFCCVEGCSA-N 399.419 2.609 0 40 GFAB CCOc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)cc1 928687 SRXMCSQTLVSKDM-UHFFFAOYSA-N 398.444 2.807 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 1493089 DGSADVAMZWFCMP-JOKRRQDLSA-N 381.472 2.505 0 40 GFAB COc1ccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCC3)cc1 2966364 QBWZRIZCVCZJQY-QFIPXVFZSA-N 381.452 2.727 0 40 GFAB CCOC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@H](C)C2 4108116 DLDLGUGNVLOJMN-GFCCVEGCSA-N 376.503 2.984 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4145901 MBDWPUWOQANSFQ-YNHQPCIGSA-N 376.840 2.708 0 40 GFAB COc1ccc([C@@H](CNc2c(NCc3ccco3)c(=O)c2=O)N2CCCC2)cc1 101692218 DSSVLGOIEBMLMC-GOSISDBHSA-N 395.459 2.745 0 40 GFAB CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 4725753 WTUOGGZPHJOAND-JKSUJKDBSA-N 378.469 2.738 0 40 GFAB Cc1cnc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cn1 21036677 HMLAXJDAFGPQQP-UHFFFAOYSA-N 379.489 2.867 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2c(C)c(C)nc3ncnn23)C1 4898135 FQOWXIANMHIOLW-MRXNPFEDSA-N 394.479 2.995 0 40 GFAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(OC)c1OC 4944568 KAXDWECZSLAHQW-GFCCVEGCSA-N 389.477 2.774 0 40 GFAB CN(c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1)S(C)(=O)=O 10333101 FZDKYVCNSUKFPK-UHFFFAOYSA-N 387.505 2.931 0 40 GFAB O=C(CCSc1n[nH]c(=O)n1Cc1ccccc1)N1CCc2ccccc21 32871071 CCVJZHMZDSMABG-UHFFFAOYSA-N 380.473 2.691 0 40 GFAB CC(=O)NCCNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 32905453 HFJGIDAECSGHJA-UHFFFAOYSA-N 389.249 2.546 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 16455031 NHVRGAYVQLNNSU-ZSEKCTLFSA-N 381.407 2.571 0 40 GFAB CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 780155 RAVRNUFQDDLPQZ-HSZRJFAPSA-N 395.455 2.982 0 40 GFAB COc1cc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)cc(OC)c1OC 12408576 CEFROHKWUVWLAD-UHFFFAOYSA-N 389.799 2.594 0 40 GFAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1nnc(-c2ccccc2)o1 23327780 GPLGNJCFOFSDDG-NSHDSACASA-N 377.356 2.880 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cn1 42899829 CTMZIUIAFMEPLG-GYVBGXKYSA-N 397.519 2.914 0 40 GFAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccco3)[C@H]3C=C[C@H]2C3)c(OC)c1 100268179 OOWFXNSFZDCAJZ-WZBLMQSHSA-N 396.443 2.990 0 40 GFAB CCCn1c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)nc2ccccc21 12541475 XCEHEBQJMCQJAC-UHFFFAOYSA-N 383.452 2.640 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1 12584637 KYSUGGNXDIAWQM-UHFFFAOYSA-N 380.491 2.545 0 40 GFAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCc1cccs1 25127593 VAUSRYUIBRZPOZ-UHFFFAOYSA-N 393.262 2.813 0 40 GFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1Cc2ccccc2O1)CC3 25893347 IXZBJXQKHAEYBQ-HXUWFJFHSA-N 376.412 2.843 0 40 GFAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCC[C@@H](O)C1 56992441 NBFFNNRXFORYEY-QGZVFWFLSA-N 385.430 2.836 0 40 GFAB O=C1CCCN1CCCN1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 57135108 CFYLXBPMPPGSSN-UHFFFAOYSA-N 382.460 2.836 0 40 GFAB biogenic CSCC[C@@H](C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 3285944 HYDKBMMYTMRLEO-HNNXBMFYSA-N 399.424 2.739 0 40 GFAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCCC(C)C)c1=O 57489650 XQKFTVZHMVVFAA-UHFFFAOYSA-N 385.489 2.685 0 40 GFAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@H](C)C(=O)O 2105982 BJJSPDHIKYCUPO-OLZOCXBDSA-N 381.384 2.817 0 40 GFAB biogenic Cc1noc(C)c1COc1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 12600741 YFNIDUJPFXZZCP-FQEVSTJZSA-N 399.491 2.807 0 40 GFAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(C(=O)OC)cc3)N2C1=O 2252684 NPNUPDSSANSCPH-HIFRSBDPSA-N 388.445 2.685 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 12624079 PIGPYSBCGDJYOM-QGZVFWFLSA-N 375.450 2.712 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(F)cc1F 12693623 VHUXPXPNHDKCKF-YUNKPMOVSA-N 387.386 2.609 0 40 GFAB COC[C@H](C)n1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O 3308674 JFWLUSFUACCCBM-AWEZNQCLSA-N 375.494 2.709 0 40 GFAB CCn1ccc([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619319 PEDDMNGUTDAENV-LLVKDONJSA-N 379.424 2.639 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H](C)NC(=O)c2ccccc2)c1C 12786610 RWBXITXKHPWVRS-MRXNPFEDSA-N 381.476 2.909 0 40 GFAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 12779527 VVDIOEOQXRNYEV-IFXJQAMLSA-N 394.427 2.836 0 40 GFAB COc1ccc(-c2nnc(S)n2CC(=O)NCCc2ccccc2C)cc1 12857662 ZJHCCKHULWZRCY-UHFFFAOYSA-N 382.489 2.910 0 40 GFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CCC(=O)C[C@@]3(O)CC[C@@]21O[C@@H]4OC 118939846 VLMLLACKDSNIAO-GTFRTSSYSA-N 392.492 2.608 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1C 12884609 BGMOUTAQNRMCQE-LBPRGKRZSA-N 386.404 2.805 0 40 GFAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 16753786 IYKYTVXFWVHALD-UHFFFAOYSA-N 383.857 2.965 0 40 GFAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12910590 GXPGSNQKEBSTNF-GFCCVEGCSA-N 385.851 2.989 0 40 GFAB CCCc1ccc(-c2nc(NC(=O)CC[C@@H]3NC(=O)NC3=O)sc2C)cc1 12986245 AJXVEIWZGXTSPE-AWEZNQCLSA-N 386.477 2.998 0 40 GFAB COc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 13010221 DWMWSJPJRWUUOC-UHFFFAOYSA-N 382.460 2.621 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 13349839 LZJIHKUZZYADOR-UHFFFAOYSA-N 398.824 2.806 0 40 GFAB COc1ccc(C(=O)Nc2cccc3cccnc23)cc1S(=O)(=O)NC1CC1 8328060 DPSQWARHRPMPEY-UHFFFAOYSA-N 397.456 2.936 0 40 GFAB O=C(OCc1nnnn1-c1ccccc1)C1(c2ccc(F)cc2)CCOCC1 64189779 HEBSLEPWSAUUBN-UHFFFAOYSA-N 382.395 2.593 0 40 GFAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1 408551927 JVWIOBAFCDNZCV-UHFFFAOYSA-N 378.406 2.842 0 40 GFAB CCc1nnc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)s1 5015508 AGTIGZIEJLTLCF-UHFFFAOYSA-N 397.489 2.960 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(F)c2)CC1 13844510 XYARZGHPNVSXND-UHFFFAOYSA-N 399.422 2.992 0 40 GFAB COc1ccc(NC(=O)[C@H](C(C)C)n2nnc3ccccc3c2=O)c(OC)c1 5324914 RUMHHMICGYPUAA-SFHVURJKSA-N 382.420 2.645 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)CC2CCCC2)c(=O)[nH]c1=O 14623558 AFFVSHUQFKGPSM-UHFFFAOYSA-N 378.517 2.878 0 40 GFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccco1 5936953 OQEUHDVTHPVNHA-UHFFFAOYSA-N 388.420 2.930 0 40 GFAB COc1ccc([C@@H](CNC2=NS(=O)(=O)c3ccccc32)N2CCCC2)cc1 7004826 LUGMRGNNWDULKA-GOSISDBHSA-N 385.489 2.571 0 40 GFAB C[C@H](CO)NC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 80357843 XLKKLFRGUILRMO-LLVKDONJSA-N 389.354 2.614 0 40 GFAB O=C(NCCCC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1 19171378 VKBSUGHNBNLBPV-UHFFFAOYSA-N 375.469 2.746 0 40 GFAB CCN(Cc1cc(C)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8942993 CBAYBBZQICQYNT-UHFFFAOYSA-N 394.475 2.511 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ncc(C)s2)cc1 9218559 ARZWTYOUNRHOIJ-OAHLLOKOSA-N 397.522 2.792 0 40 GFAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 9348246 KFGZVYLQXRPZCH-DFSFMLJYSA-N 392.452 2.626 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(C3CCCCC3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 63389798 MIPQCOABFLNVGW-WOJBJXKFSA-N 390.549 2.957 0 40 GFAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 9592659 JDFXHKWYDGPDSL-LLVKDONJSA-N 385.497 2.989 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccccc1Cn1cccn1 84505951 GFMRXDMFQUNGBD-LNLFQRSKSA-N 399.520 2.596 0 40 GFAB Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1I 79057394 VYMNAUSHPPPTFO-AAEUAGOBSA-N 384.261 2.955 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(F)cc2)cc1 113937241 SABPIFFPWSYICW-UHFFFAOYSA-N 380.441 2.554 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)c1 408616390 YMQGSNUAVKLSLY-HNNXBMFYSA-N 377.444 2.879 0 40 GFAB O=C(O)c1cc(F)c(F)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 60367200 OOSVEUXWQHZEBD-UHFFFAOYSA-N 385.344 2.625 0 40 GFAB COc1cc(S(=O)(=O)NC2CCCCC2)ccc1I 31800790 OYFBRQYJUAOAJR-UHFFFAOYSA-N 395.262 2.911 0 40 GFAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527972185 NXBATEVQNSASFW-IHRRRGAJSA-N 396.459 2.919 0 40 GFAB O=S(=O)([C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1)N1CCc2ccccc21 541785646 XHIFBORHDVRSFJ-LJQANCHMSA-N 396.516 2.920 0 40 GFAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218464689 JOKFNCKTRSNNSX-BQFCYCMXSA-N 380.849 2.997 0 40 GFAB C[C@H](CCN1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 72394677 IRUCFYGRANCSFQ-MJGOQNOKSA-N 382.508 2.590 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cn1 72371411 NDEKJQAQIGZMDK-HNNXBMFYSA-N 395.438 2.898 0 40 GFAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCOCC2)cc1Cl 225585928 CPSOJXHKSCKQDY-UHFFFAOYSA-N 385.917 2.525 0 40 GFAB CCc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1OCC(=O)OC 226744745 FISPHXCSDDVOCY-UHFFFAOYSA-N 389.473 2.548 0 40 GFAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1N(C)S(C)(=O)=O 223959828 UYODXUIWSHBOHS-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB Cn1c(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)cc2ccccc2c1=O 571839283 VMIRJFZWSDZNHA-UHFFFAOYSA-N 384.399 2.895 0 40 GFAB COC(=O)C1CCN(C(=O)c2ccc(C)cc2I)CC1 225027479 INHBWDYVEOTJHG-UHFFFAOYSA-N 387.217 2.625 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1OC 224353421 UUFYJMIVOFFPBD-CSKARUKUSA-N 397.479 2.812 0 40 GFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccsc3)cc21 49511730 CAFARNVZPKLLEL-UHFFFAOYSA-N 385.489 2.938 0 40 GFAB CC(C)Sc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1 223857467 IYPVXKHPNNBSJA-UHFFFAOYSA-N 398.535 2.966 0 40 GFAB Cc1n[nH]c(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)c1Br 95472718 AAOUJACOPDHCGN-UHFFFAOYSA-N 399.665 2.701 0 40 GFAB COCCn1c(C(=O)N2CCN(C(C)C)CC2)cc2c1c1ccccc1n2C 96037250 NZRCNBOQPVEKOT-UHFFFAOYSA-N 382.508 2.946 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)C1 260504129 CUQNYQWGBFHGQX-IEBWSBKVSA-N 396.553 2.960 0 40 GFAB COC(=O)Cc1csc(NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)n1 610366889 UTLUVSHXZPXROH-INIZCTEOSA-N 388.493 2.597 0 40 GFAB CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 639701258 CVNAMWWRKRHBCK-GOSISDBHSA-N 381.480 2.700 0 40 GFAB O=C(NC1CCN(CCc2ccccc2)CC1)N1CC(CO)(c2ccccc2)C1 665695612 OHNXMTWNWMROFH-UHFFFAOYSA-N 393.531 2.649 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 90612573 SZSWLIBHXJLOPI-SFHVURJKSA-N 397.406 2.808 0 40 GFAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)OCCO)cc1 96338279 LBGNCGYKTMAHRN-SFHVURJKSA-N 390.867 2.762 0 40 GFAB COCCNC(=O)C[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2cccn2C1 585099142 PNRUPKNFSZDZDE-MRXNPFEDSA-N 377.435 2.551 0 40 GFAB COc1cc(NC(=O)Cc2cnccc2C)c(C(=O)N2CCCC2)cc1OC 585100319 PWABTUJOENJVRJ-UHFFFAOYSA-N 383.448 2.824 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1 1326812510 IFPGAMXYSGKDRU-UHFFFAOYSA-N 388.427 2.944 0 40 GFAB CC(=O)N1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 42658817 GUJDKFULXXZVDM-UHFFFAOYSA-N 377.391 2.680 0 40 GFAB COC(=O)c1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2C)c(OC)c1 53451533 SVLGHWKYBRXTOJ-UHFFFAOYSA-N 375.425 2.530 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CCN(c3ccccc3)CC2)c1 57435529 SBMNOBUHBOZVPG-UHFFFAOYSA-N 394.519 2.523 0 40 GFAB O=S(=O)(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCCCC1 5581224 VVTSVINEUUIIBW-UHFFFAOYSA-N 379.507 2.941 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 14220380 NMFUJZUHPVWZFU-GFCCVEGCSA-N 381.450 2.761 0 40 GFAB CCCCN(C(=O)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14510364 DTXJLVKHWSBXSJ-UHFFFAOYSA-N 398.507 2.881 0 40 GFAB O=C(O)Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 15013403 RIPGACMBCBEFGC-RQZCQDPDSA-N 393.374 2.958 0 40 GFAB Cc1cc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)ccc1-n1cnnn1 15935981 YUTRMINDDBKVFZ-CYBMUJFWSA-N 387.440 2.640 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@@]3(C)C2=O)cc1 19172096 HADLUEXZIMKMLH-WOIUINJBSA-N 377.444 2.621 0 40 GFAB Cc1cccc(CN2CCCN(C(=O)CCn3ncc4c3CCCC4)CC2)n1 19236270 AOKQBMFCSDXZKH-UHFFFAOYSA-N 381.524 2.590 0 40 GFAB CNc1nc([C@H]2CCCCN2C(=O)c2ccccc2)nc2c1CCN(C(C)=O)C2 19708551 UAKKPHSKOLXCBR-LJQANCHMSA-N 393.491 2.790 0 40 GFAB Cn1c(=O)c(C(=O)NCC2(c3cccc(F)c3)CCOCC2)nc2ccccc21 19715032 IPTSGYHRYVCDMJ-UHFFFAOYSA-N 395.434 2.551 0 40 GFAB O=C(c1cncc(Br)c1)N1CCCN(C2CCSCC2)CC1 575605369 DUFLKUUOCSPAOW-UHFFFAOYSA-N 384.343 2.888 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)c(OC)n1 12233331 KLYXFBQXSRRBAX-DAESXHAQSA-N 387.455 2.753 0 40 GFAB CC12CC(CN1C(=O)NCCc1ccc(S(=O)(=O)N3CCCCC3)s1)C2 664235374 LYCQNCHWBWVRIL-UHFFFAOYSA-N 397.566 2.659 0 40 GFAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cccc(C(F)(F)F)c1 35870822 PQMOIIXEOWTPSI-UHFFFAOYSA-N 386.395 2.700 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1C 3265049 IZRUDMCBAGUYKT-UHFFFAOYSA-N 387.417 2.534 0 40 GFAB Cc1ccc(-n2nnc3c(SCC(=O)Nc4cc(C)on4)ncnc32)cc1 4166641 LHFKVCMQHVAOSQ-UHFFFAOYSA-N 381.421 2.546 0 40 GFAB CCc1ccc(N2C(=O)N(c3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4393598 OFQCXCGNMDNYBD-MSOLQXFVSA-N 386.473 2.870 0 40 GFAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3cccnc3)cs2)cc1 9573715 YRTWKCGBZYMNMH-UHFFFAOYSA-N 382.445 2.658 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NCCCc1ccccc1 9530232 LHLKBRCXOZCFNN-UHFFFAOYSA-N 389.502 2.639 0 40 GFAB O=C(NCc1cccs1)c1csc(NS(=O)(=O)c2ccccc2)n1 12627999 SLBWXFHQZCMTFU-UHFFFAOYSA-N 379.488 2.935 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2cc3cc(Br)ccc3oc2=O)C1 15862209 BGSBORCKANRXBG-JTQLQIEISA-N 386.267 2.976 0 40 GFAB CCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2C1 17316653 GEJMQZFMBUFBBV-UHFFFAOYSA-N 380.416 2.925 0 40 GFAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575612587 LLNBIGYMWBFOKD-GFCCVEGCSA-N 389.868 2.886 0 40 GFAB COC(=O)c1ccc(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1 575611911 IHQOPMFJCOHFKJ-JOCHJYFZSA-N 383.444 2.517 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c(F)cc1F 40051097 GPEKAOXROXORJW-OAHLLOKOSA-N 380.347 2.738 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(N2CCCCC2=O)c1 40133637 ANXQKJNWQWRELV-UHFFFAOYSA-N 378.494 2.890 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2c(C)nn(C)c2s1 11405143 HZEXMKMSXDLBQK-UHFFFAOYSA-N 375.450 2.899 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)Nc3cccnc3-n3cccn3)cn2)n1 46119070 CKYYNLDVJTZXRC-UHFFFAOYSA-N 388.435 2.787 0 40 GFAB C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)NC1CCCCCC1 32776024 CLFGATOVAKRKSF-OAHLLOKOSA-N 385.464 2.940 0 40 GFAB O=C(CCn1ncc(=O)c2ccccc21)OCc1cn2cc(Cl)ccc2n1 32829229 LYNYYWGPHUXMGV-UHFFFAOYSA-N 382.807 2.831 0 40 GFAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc3c2OCO3)NC(=S)N1 56044342 XCISWWZELJJHMZ-INIZCTEOSA-N 385.420 2.986 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 9250897 NKKRCFBNEVBKHR-UHFFFAOYSA-N 388.474 2.924 0 40 GFAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccc(Cl)c(Cl)c2)N1 12113426 CEPSUMKIWRMETE-ZUZCIYMTSA-N 382.247 2.623 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1 20245058 KFHPBAZXWVSLOY-UHFFFAOYSA-N 385.848 2.731 0 40 GFAB Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)cc1 839537 YMUPJHMIDPRJHV-UHFFFAOYSA-N 389.459 2.701 0 40 GFAB Nc1ccc(/C=C/c2ccc(Cl)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 59393680 HQAXAXDMDWIERX-OWOJBTEDSA-N 389.838 2.586 0 40 GFAB O=c1[nH]c(CN[C@@H](CN2CCOCC2)c2ccccc2)nc2cc(Cl)ccc12 22934935 XZYJAFSYCYORQW-IBGZPJMESA-N 398.894 2.740 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(OC)cc3)CC2)c1C 23732378 WZKJTDPBYNKADV-UHFFFAOYSA-N 399.491 2.775 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NCCn2c(C)nc3ccccc32)CC1=O 24476992 UQBJEEKCNMPNLG-INIZCTEOSA-N 392.459 2.523 0 40 GFAB CCCCCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)NC(=O)NC2CCCC2)C1 106170884 KKDLEAUSLUPKIY-SJORKVTESA-N 394.560 2.552 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)cc1 3365915 GHCLQUQWNQONLO-UHFFFAOYSA-N 390.461 2.805 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1)NCc1ccccc1Cn1cccn1 10235207 DIBFGDJEBGFKDB-UHFFFAOYSA-N 382.851 2.631 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1OC 10669189 DSVXUJGWSXQGNP-UHFFFAOYSA-N 390.461 2.531 0 40 GFAB COCC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 12869209 LILUFNRFFJEVCZ-UHFFFAOYSA-N 396.852 2.581 0 40 GFAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1nnnn1-c1ccccc1 12994523 AMBKFORQUGTOFX-UHFFFAOYSA-N 380.408 2.549 0 40 GFAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 8667999 ICQFBRDNOVZINV-CQSZACIVSA-N 395.411 2.886 0 40 GFAB O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)NCc1ccccc1Cl 13654818 WPFHUFDUYHDPKV-HNNXBMFYSA-N 375.812 2.654 0 40 GFAB Cc1ccccc1OCc1nn2c(Cn3nnc4ccccc43)nnc2s1 4384034 NAQIBTOMQLJEEB-UHFFFAOYSA-N 377.433 2.866 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)cc1C 6237351 SSVZCKZZXMSYDC-UHFFFAOYSA-N 386.517 2.769 0 40 GFAB Cc1csc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 6377045 VRWXWOXSZFQZIN-UHFFFAOYSA-N 379.507 2.807 0 40 GFAB CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2cccc(F)c2)on1 5355534 ROZWDUOKPOJGQX-UHFFFAOYSA-N 376.417 2.818 0 40 GFAB CCCOc1ccc(OCCSc2n[nH]c(=O)n2C[C@@H]2CCCO2)cc1 14247182 DZQISUWMRIYMDP-INIZCTEOSA-N 379.482 2.710 0 40 GFAB O=C1N[C@H](c2ccsc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 6667777 ICEPCWLFVBBDPY-GIPNMCIBSA-N 376.381 2.914 0 40 GFAB CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OCCC(C)C)cc1 4729012 LDLKPKBWWGKWRJ-UHFFFAOYSA-N 392.496 2.691 0 40 GFAB COc1cc2c(cc1OC)CN1C(=S)N(CCc3ccccc3)C(=O)[C@H]1C2 4761196 YMCFXHFTVLJARM-QGZVFWFLSA-N 382.485 2.800 0 40 GFAB COc1ccc(-c2noc(CNC(=O)COc3ccccc3C)n2)cc1OC 4943619 NISYDQLENZFQDM-UHFFFAOYSA-N 383.404 2.757 0 40 GFAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NC4CCCC4)c3)n2)c1 67289446 HMBLMDLKLNXJAD-UHFFFAOYSA-N 378.432 2.933 0 40 GFAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Br)c1 15393155 AEUWVOIJADZDGA-NSHDSACASA-N 388.225 2.831 0 40 GFAB CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16046682 UOBAMJCZWHHOAW-BEFAXECRSA-N 398.507 2.962 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1 8078124 OVHGOKRIOQWJGQ-LBPRGKRZSA-N 384.860 2.505 0 40 GFAB COc1ccc(-c2nnn(-c3ncnc4sc5c(c34)CCC5)n2)cc1OC 8064092 FMELQZLDDXCLAD-UHFFFAOYSA-N 380.433 2.840 0 40 GFAB O=C(CNS(=O)(=O)c1ccccc1F)N1CCC(Cc2ccccc2)CC1 16695319 UKKDJXZNVSWZGQ-UHFFFAOYSA-N 390.480 2.585 0 40 GFAB COc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 19483071 WCIIVMHTXKLOIZ-CQSZACIVSA-N 385.416 2.955 0 40 GFAB COc1ccc(C)cc1NC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9183828 DARQAHUWWUXAAV-UHFFFAOYSA-N 396.447 2.891 0 40 GFAB C[C@@H]1CN(C(=O)Nc2nnc(-c3nccn3C)s2)C[C@H](c2ccccc2)O1 95446356 MIFYWAXBGOGVMY-TZMCWYRMSA-N 384.465 2.933 0 40 GFAB CN1CCN(Cc2ccncc2)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306141582 WBAVHBSAAKGJRS-FQEVSTJZSA-N 376.508 2.818 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1Cl 409380816 INNIVWSFYHLHHA-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c1 26527803 QQLASGJKSDQTBP-UHFFFAOYSA-N 382.825 2.886 0 40 GFAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 35596766 UXBUHCFZNDPBAX-UHFFFAOYSA-N 377.447 2.813 0 40 GFAB Cc1nnnn1-c1ccc(C(=O)N2CC[C@]3(CCc4ccccc4O3)C2)c(F)c1 556335340 SINBYMMUJDRAMH-OAQYLSRUSA-N 393.422 2.720 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 30754998 XLLAZXGVCVDCJE-GFCCVEGCSA-N 398.431 2.617 0 40 GFAB CCNC(=O)c1cccc(CNC(=O)c2cc(Br)ccc2O)c1 36391345 NEXMMGQMIFMDRJ-UHFFFAOYSA-N 377.238 2.834 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)n1 72375431 MUHSIFLCBZAYIB-OAHLLOKOSA-N 396.476 2.511 0 40 GFAB Cc1ccc(-c2noc(CNC(=O)c3cccc(CN4CCOCC4)c3)n2)cc1 219248150 RNRPTTSHXOXCMJ-UHFFFAOYSA-N 392.459 2.807 0 40 GFAB O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1)NCCc1ccccc1 31033773 FWUPXSVLXOTCIY-UHFFFAOYSA-N 379.382 2.977 0 40 GFAB O=C(NCCn1c2ccccc2c2ccccc21)N1CCOC[C@H]1c1nc[nH]n1 560513585 POVKTQCHNUCZDZ-IBGZPJMESA-N 390.447 2.696 0 40 GFAB O=C(NC1CCCC1)c1cc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n[nH]1 72380651 DGYLFRNFYWWUCI-MRXNPFEDSA-N 396.491 2.867 0 40 GFAB O=C(O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccs1 225138557 KLLMNSWGOZWPBP-UHFFFAOYSA-N 394.243 2.930 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Nc2ccc(Cl)cc2)cc1 224262078 SBGOPJCSFKVCER-UHFFFAOYSA-N 397.884 2.791 0 40 GFAB O=S(=O)(NCCc1csc(N2CCCC2)n1)c1ccc2c(c1)CCC2 49717888 TXVAUVHLZZSCQH-UHFFFAOYSA-N 377.535 2.753 0 40 GFAB COc1cccc(NC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1OC 77099769 UIZDMMNWYZGGQU-UHFFFAOYSA-N 387.436 2.971 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccncc3)C[C@H]1CN(c1ccccn1)C2 96056049 KNKHIZLNYQDTIQ-UGKGYDQZSA-N 380.492 2.758 0 40 GFAB CCOc1ccc(-c2nc([C@@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1OC 95533919 WZULEIPIBCCNJZ-SFHVURJKSA-N 384.436 2.944 0 40 GFAB C[C@]1(O)C[C@@H](c2ccccc2)C[C@H](O)CCC[C@@H]1CNC(=O)CCCC(=O)O 257342312 ZOCKQGOVBLBERC-JYLXEMOASA-N 391.508 2.834 0 40 GFAB CS(=O)(=O)N(CCCC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(F)c1 250960715 VFJYUGNAFJMPMT-DCGLDWPTSA-N 386.464 2.816 0 40 GFAB C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)C1 623194539 HXYNEUUPOUQROT-BXUZGUMPSA-N 375.436 2.991 0 40 GFAB C[C@H](c1ccccc1)n1cc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)cn1 646448367 XRCKQWGOXIFAIV-MRXNPFEDSA-N 381.480 2.969 0 40 GFAB O=C(Nc1cccc(-n2ccnn2)c1)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 666394500 SRCGUTJZPICMRH-IEBWSBKVSA-N 393.451 2.526 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1c1ccc(Br)cc1 668292159 AUSQEOREBZQYJW-UONOGXRCSA-N 395.278 2.775 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cn1 390830549 LSJMDFPOEBPSSU-MRXNPFEDSA-N 394.518 2.932 0 40 GFAB CC(C)N1C[C@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CC1=O 585104948 WMCFPNXXWXNOBH-FQEVSTJZSA-N 386.521 2.664 0 40 GFAB Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 58307131 LAARVAXKYZUINC-UHFFFAOYSA-N 394.522 2.900 0 40 GFAB CN(C)C[C@@H]1CSCCCN1C(=O)c1cc(-c2ccc(F)cc2)nn1C 90700159 UBHRVINJAFSKSK-MRXNPFEDSA-N 376.501 2.736 0 40 GFAB COc1ncc(Cl)c(N[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]2C(F)(F)F)n1 1615611408 LHLGYCPOQQQZPV-FXPVBKGRSA-N 392.809 2.986 0 40 GFAB O=C(c1cnccn1)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775970549 FNVYVFFBLTXGJZ-UHFFFAOYSA-N 375.432 2.865 0 40 GFAB COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)OCCCO3)C1 12292253 FQQOAKRNTCAAEB-AUSIDOKSSA-N 399.487 2.874 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19078797 FSUXKVBEFDDMMY-MAUKXSAKSA-N 396.491 2.604 0 40 GFAB COCc1nnc(NC(=O)c2cc(-c3ccnn3C)nc3ccccc23)s1 19289252 QTGJTGGKBFRWJV-UHFFFAOYSA-N 380.433 2.886 0 40 GFAB c1ccc(-c2n[nH]cc2CN(CCN2CCOCC2)Cc2cccnc2)cc1 19373957 KPJAFWNVBHPPDL-UHFFFAOYSA-N 377.492 2.806 0 40 GFAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCC[C@@H](O)C4)on3)CC2)c1 19564897 ZPBJIOQGENTYQT-GOSISDBHSA-N 399.491 2.660 0 40 GFAB Cc1nc(CC(=O)N2C[C@@H](c3cc[nH]n3)[C@H](c3ccc(CN)cc3)C2)cs1 19698999 LJLSDBOKQBQATD-ZWKOTPCHSA-N 381.505 2.586 0 40 GFAB C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CCC2(CC1)OCCO2 19826741 WISLRRYRTWAEIH-INIZCTEOSA-N 375.490 2.841 0 40 GFAB COc1cc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)ccc1Cl 641047372 LRQZMVUMCDQTGY-UHFFFAOYSA-N 391.903 2.596 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)C2CCCCC2)CC1 12187180 BPMBGVZKVXRWOE-UHFFFAOYSA-N 397.519 2.893 0 40 GFAB O=C(NCCC(=O)N1CCC(c2cc3ncccc3cn2)CC1)c1cccnc1 12224191 FAEIUXKKURFCDG-UHFFFAOYSA-N 389.459 2.551 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCc2cccnc2)Nc2ccccc21 257309225 UAARTRUKUQQSSF-UNMKOGDSSA-N 376.460 2.686 0 40 GFAB C[C@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)n1nc(C(F)(F)F)ccc1=O 1888964360 GTUZNRBQNHPXNQ-SNVBAGLBSA-N 377.326 2.852 0 40 GFAB Cc1nc(N2CCN(c3ncccc3C(F)(F)F)CC2)cc(-n2cccn2)n1 1889149046 KHGHODLBQGLMKD-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB Cc1cnc(N(C)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc1 1889205639 FUSWWDLYJZAYPA-INIZCTEOSA-N 378.473 2.522 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 28994454 XOFSHDMBSTYXMI-GOSISDBHSA-N 379.526 2.820 0 40 GFAB C[C@H]1CC(F)(F)CCN1S(=O)(=O)Cc1ncsc1Br 632598479 SQTUMJVWGUKENX-ZETCQYMHSA-N 375.260 2.855 0 40 GFAB CN(C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)S(=O)(=O)C1CC1 2087148615 BARPHOPJMUUELE-UHFFFAOYSA-N 392.443 2.974 0 40 GFAB COc1cccc2c(S(=O)(=O)N3CCc4ccccc4[C@@H]3C(=O)O)ccnc12 1102644 RXGHJANOPCVWMS-LJQANCHMSA-N 398.440 2.616 0 40 GFAB COc1cccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1OC 4941956 XZZAGTAGOMMCIZ-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772995 HRHVMGUXYAFWIZ-UHFFFAOYSA-N 386.883 2.694 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)cc1 207997438 YQDOOMOQEPAJAB-KRWDZBQOSA-N 393.399 2.762 0 40 GFAB COc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)c(OC)c1 2388545 UAFZTNDLBNLXGC-YVLHZVERSA-N 379.441 2.691 0 40 GFAB O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1cccc(Br)c1 6197651 SVOVLLOVZCBOOQ-LFIBNONCSA-N 387.233 2.559 0 40 GFAB CC1CCN(C2=NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3Cl)N2)CC1 20466882 AWPMWPMCLQUGEK-AWEZNQCLSA-N 383.279 2.908 0 40 GFAB O=C(Nn1cnc2ccccc21)[C@@H]1CCN(c2cccc(Br)c2)C1=O 59363324 PPRADCRVIOPTGH-AWEZNQCLSA-N 399.248 2.922 0 40 GFAB CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2Br)s1 1381685 RJHANDGEIZBWHJ-UHFFFAOYSA-N 387.284 2.990 0 40 GFAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20714863 IEZAEEIXOBBCBF-MRXNPFEDSA-N 377.416 2.985 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)cc1 4570425 QSAIKWFLQNXUQZ-RDJZCZTQSA-N 379.478 2.911 0 40 GFAB COc1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccccc3)nc2)cc1 4913948 MKGPUDBRUZYQGL-UHFFFAOYSA-N 384.417 2.538 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1ccccc1C 4934931 BKNQGVLHWKCWJJ-LJQANCHMSA-N 376.416 2.826 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C)ccc1OC 7420115 KBPIRESTHVAPBV-UHFFFAOYSA-N 395.433 2.608 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCc2c(C)noc2C)c1 7473587 PMABDMDXSDRASH-UHFFFAOYSA-N 379.482 2.893 0 40 GFAB CCC[C@H](CNC(=O)Cc1cccc(OC)c1)NC(=O)Cc1cccc(OC)c1 58162615 GMNGZSGMNLMICQ-LJQANCHMSA-N 398.503 2.890 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCNC(=O)c2ccccc2)c(C)c1 8087342 QLQPMOMTTPHEAI-UHFFFAOYSA-N 381.476 2.829 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2sccc2-n2cccc2)s1 32903584 MIOJFAPHEKKYFZ-UHFFFAOYSA-N 395.531 2.781 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 103129665 TZMUYNJNDKHEHK-RYUDHWBXSA-N 380.347 2.512 0 40 GFAB CC(=O)Nc1c(Br)cc(N2C(=O)CCC2=O)cc1Br 709191 XFWLNGGKFQDBGZ-UHFFFAOYSA-N 390.031 2.823 0 40 GFAB CS(=O)(=O)C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1ccccc1 83984504 LCSNFOYBPPSVSY-ZBFHGGJFSA-N 381.544 2.981 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCc2ccccc2C1 17123966 OSCQFNVWCOVMBW-NRFANRHFSA-N 383.467 2.967 0 40 GFAB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cc1-n1cnnn1 25148004 IHHYXBAIYCCUPG-SUMWQHHRSA-N 376.420 2.818 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 28196310 DLXIICKIPGFIJQ-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB CC1CCN([C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2)c2cccs2)CC1 27573198 XMHDOQSYWQKAOK-SFHVURJKSA-N 396.520 2.927 0 40 GFAB COc1ccc([C@H](CNC(=O)CCOc2ccc(C)cc2)N2CCOCC2)cc1 12791756 VUTSFNKKFBRPES-QFIPXVFZSA-N 398.503 2.962 0 40 GFAB O=C(O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 2139834 ULFMGLSCYHXDAN-GOSISDBHSA-N 382.416 2.802 0 40 GFAB biogenic CCCn1ccnc1S(=O)(=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 48235235 QHGUPGKAPJSLEZ-MRXNPFEDSA-N 389.521 2.894 0 40 GFAB O=C(O)c1ccc(CN2C(=O)S[C@H](Nc3cccc(C(=O)O)c3)C2=O)cc1 2439290 OIYCRSBCZSNDCC-AWEZNQCLSA-N 386.385 2.717 0 40 GFAB CN(c1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1)S(C)(=O)=O 12994323 QOKKGBVTWIRRBD-UHFFFAOYSA-N 380.539 2.812 0 40 GFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1F 12994632 KMMKFXTXFRTNPU-UHFFFAOYSA-N 398.887 2.790 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)no1 13096302 UJXZWVZNRVCSBT-HXUWFJFHSA-N 378.388 2.542 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cc2ccncc2)cc1 8718140 ZTGYTVGNWOZGFE-UHFFFAOYSA-N 392.459 2.866 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C 5086199 KUPBJNKQZSJTLS-IBGZPJMESA-N 387.501 2.898 0 40 GFAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3)NCc1ccco1 64814411 SNIRZHZZAJCWAS-UHFFFAOYSA-N 381.310 2.736 0 40 GFAB COc1cccc2cc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)oc12 5506138 ABNDGTSITBHEHV-WOSRLPQWSA-N 387.432 2.899 0 40 GFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCC(C)C)c1c(C)cccc12 8843738 YCLZXXKPSFXUMB-IBGZPJMESA-N 388.493 2.543 0 40 GFAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4749891 UWPWDVVCRXQKFH-IBGZPJMESA-N 387.501 2.632 0 40 GFAB Cc1nc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc(C)c1C 7439354 OOLDTHFCUOHWJJ-UHFFFAOYSA-N 390.534 2.540 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc2)n1 7653597 HIDQWZDMDUUAEB-UHFFFAOYSA-N 375.384 2.900 0 40 GFAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)cc1OC 9108868 KCMZCNDBAXBRKK-JTQLQIEISA-N 391.449 2.652 0 40 GFAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccccn1 9320838 DYYIMOFSOMVUMH-UHFFFAOYSA-N 376.459 2.952 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1cc2ccccc2o1 9546817 TUUDXKYRVVXTSI-JSGCOSHPSA-N 387.465 2.568 0 40 GFAB O=C(Nc1cccc(Cl)n1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 72307883 MMTXASYQLALFET-AWEZNQCLSA-N 379.869 2.917 0 40 GFAB C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC12CCC2 95458069 VXCYFXLBGLFPIG-QRWLVFNGSA-N 395.503 2.501 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCn1cccn1 95998429 CGRYUTGXLMJJDS-IBGZPJMESA-N 379.464 2.676 0 40 GFAB Nc1cc(=O)[nH]c(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1 9951051 GUIGLCNQIOKTFK-UHFFFAOYSA-N 394.500 2.783 0 40 GFAB O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 89768343 XMIZBHKVRAHCHI-NORZTCDRSA-N 383.275 2.651 0 40 GFAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 22994052 LXWPPXFDSPHBNY-ZDUSSCGKSA-N 377.400 2.656 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)c1 113947288 BYJNCLLKHTYJLV-AHRSYUTCSA-N 390.549 2.842 0 40 GFAB COc1cccc(-n2nccc2-c2nc(C(=O)NCC3CC3)c3cnccn23)c1 306126095 DMNYKNSILMQFBY-UHFFFAOYSA-N 388.431 2.730 0 40 GFAB Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 31108800 QSMHUBIERYANLP-QGZVFWFLSA-N 390.480 2.851 0 40 GFAB Cc1c(F)cccc1C(=O)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 519594311 VLGKLKMSZWGVLJ-IBGZPJMESA-N 380.423 2.988 0 40 GFAB COc1cccc2cc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c(=O)oc12 35311282 ZJXKJPJEGGTKDK-UHFFFAOYSA-N 394.427 2.886 0 40 GFAB O=c1cc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)nc2ccccn12 32759707 ZHWUNCMEDMLXGS-UHFFFAOYSA-N 398.894 2.545 0 40 GFAB O=C(c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)n[nH]1)N1CCOCC1 72380649 NYRCMQNKMGCCQP-FQEVSTJZSA-N 396.491 2.569 0 40 GFAB Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)ccc1NS(C)(=O)=O 224086573 WFDIKCPDUPILGM-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccco3)cc(=O)n21 41077138 VCTATUGHLRKZBD-UHFFFAOYSA-N 393.403 2.896 0 40 GFAB COc1cccc(CNC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)c1 49411248 GRWUFRBBBRJMIX-UHFFFAOYSA-N 392.463 2.591 0 40 GFAB CC(C)Cn1c(CCNC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 96230998 WHDQXWWVJABNHR-UHFFFAOYSA-N 392.459 2.996 0 40 GFAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3cc(F)ccc3F)ccc2NC1=O 96182273 HMWZBMPSBVUEPI-IBGZPJMESA-N 390.342 2.870 0 40 GFAB C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 1589947939 BGNOXPRWNUHFBQ-AWEZNQCLSA-N 387.447 2.682 0 40 GFAB Cc1cnc(N2CCc3cc(C(=O)NC(C)C)c(NCC4CC4)nc3CC2)nc1 96260595 NMNXLXRSZKRWPF-UHFFFAOYSA-N 394.523 2.745 0 40 GFAB COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)nc2ccccn2c1=O 96113917 JEGZIYPXVHYPPV-HNNXBMFYSA-N 375.384 2.643 0 40 GFAB biogenic C[C@H](C(=O)NCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1)C1CC1 585138315 DPTBKRUTEROQPN-LBPRGKRZSA-N 377.489 2.582 0 40 GFAB O=C(O)COc1ccc(CN2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)cc1 257299183 RPATUUBHLKALEM-INIZCTEOSA-N 393.447 2.710 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257304044 SJWDBQLJODAIPE-HNNXBMFYSA-N 384.367 2.583 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](Cc3ccc(-c4cnc(C)n4C)nc3)C2)cn1 257204999 AXFASSPCHXELCV-GOSISDBHSA-N 390.491 2.984 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](N(C)C(=O)CCc3nccs3)C2)cc1C 1615610727 GQAXLPFWSCLLMH-INIZCTEOSA-N 386.521 2.851 0 40 GFAB COCc1n[nH]c(CNC(=O)N2c3ccccc3C[C@@H]2Cc2ccccc2)n1 637267532 FICPGTHSZKPUHM-KRWDZBQOSA-N 377.448 2.835 0 40 GFAB O=C(O)c1cn([C@@H]2CCCN(C(=O)Cc3coc4cc5c(cc34)CCC5)C2)nn1 649254879 OMJXMOYPPVDINQ-MRXNPFEDSA-N 394.431 2.617 0 40 GFAB O=C(NCc1cccc(C(F)(F)F)n1)N1CCN(c2ccccc2)C(=O)C1 652993404 XPTQUQWFVJKBBI-UHFFFAOYSA-N 378.354 2.659 0 40 GFAB O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CC[C@@H](C(=O)O)NC1 657220333 HEQTYTSAHUXCGL-BBRMVZONSA-N 389.839 2.705 0 40 GFAB CC(=O)Nc1ccc(/C=c2\sc3nnc(/C=C\c4ccccc4)n3c2=O)cc1 5723195 KBNBLYDQMCBEMG-ISGNFXHLSA-N 388.452 2.828 0 40 GFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)NCc3ccco3)C2)on1 12118371 GBEKKFHDWIDDOF-OAHLLOKOSA-N 381.436 2.529 0 40 GFAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2cncn2)cc1 12145601 FQAVKXPGLZPQHC-SFHVURJKSA-N 394.479 2.692 0 40 GFAB C[C@@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 13059938 FGNJTONCCMPPQW-CQSZACIVSA-N 399.944 2.937 0 40 GFAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OC)cc1OC 13567460 JPNWWTGWSJHYAR-ZDUSSCGKSA-N 389.477 2.774 0 40 GFAB Cc1cc(C(=O)NCCCn2ccnc2)ccc1NS(=O)(=O)c1ccccc1 13681849 RYQUPXWXSYUXCQ-UHFFFAOYSA-N 398.488 2.812 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 19210918 YXMHQWALOFUHIL-QGZVFWFLSA-N 394.519 2.946 0 40 GFAB CCc1noc(C)c1C(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19521302 MWMXLSRAYKJAIA-UHFFFAOYSA-N 383.448 2.779 0 40 GFAB O=C(CN1CCN(C(=O)/C=C/c2cccc(F)c2)CC1)Nc1ccc(F)cc1 19604641 WGJUQWPHYWJNCO-RUDMXATFSA-N 385.414 2.761 0 40 GFAB CN(C)CCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 19665510 ZQQUPBBCGHSQHG-MRXNPFEDSA-N 377.916 2.883 0 40 GFAB CN(CCO)C(=O)c1cc([C@H]2CN(C3CCCC3)CCO2)nc2ccccc12 19754427 GRXJJGBGBGLWBA-OAQYLSRUSA-N 383.492 2.615 0 40 GFAB Cc1ncc(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)o1 628160125 KKKLPZZKBFOVEY-UHFFFAOYSA-N 375.903 2.595 0 40 GFAB Cn1cc(CN2CCO[C@@]3(CO[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C3)C2)cn1 643913377 UMADRMKFCVUBRR-LRXVAGHRSA-N 399.491 2.646 0 40 GFAB C[C@@H](CCc1ccc(O)cc1)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220684 DYCPOVOJUIYTOR-FOMLIJIXSA-N 393.487 2.786 0 40 GFAB C[C@H]1CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C[C@@H](C)O1 19497516 IEMYQYRIHPTOKL-BETUJISGSA-N 398.429 2.704 0 40 GFAB Cc1cc2c(N3CCC(Cn4c(C)nc5ccccc5c4=O)CC3)nccn2n1 1888913341 SWPWWBDDQPRESU-UHFFFAOYSA-N 388.475 2.973 0 40 GFAB CCOC(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 4479608 XIWQHEGOFVWLFI-MRXNPFEDSA-N 397.431 2.799 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(C)cc3)n2)cc1 5396381 ZUXIGRFNUIJIDN-UHFFFAOYSA-N 377.444 2.934 0 40 GFAB CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 10252795 XJRFYCLYGNHFBT-UHFFFAOYSA-N 391.836 2.975 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)c(C)c1 12441462 PHPBPHDIKDEIQY-UHFFFAOYSA-N 381.542 2.742 0 40 GFAB O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 13854749 CQDBYGJVCDXFRV-UHFFFAOYSA-N 385.851 2.848 0 40 GFAB Cc1cc(C)c(N(C[C@@H](O)CNCc2ccccc2)S(C)(=O)=O)c(C)c1 31903784 JWXFTGLMQJYGHR-IBGZPJMESA-N 376.522 2.529 0 40 GFAB COc1ccc(CC(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1OC 238899246 RIEZKYWGFLFVSD-HXUWFJFHSA-N 387.457 2.953 0 40 GFAB COC(=O)c1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)sc2c1CCC2 4518039 IFGQOWAMFXWCEL-UHFFFAOYSA-N 379.459 2.679 0 40 GFAB CCNc1cc(NCCNS(=O)(=O)c2ccc3ccccc3c2)nc(C)n1 38488318 LUMRLCLAYQIUEN-UHFFFAOYSA-N 385.493 2.760 0 40 GFAB CNc1nnc(SCCC(=O)Nc2ccc(N3CCOCC3)cc2)s1 40024876 BDHIMNQOWOLGDV-UHFFFAOYSA-N 379.511 2.537 0 40 GFAB C[C@@H](OC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)C(=O)N1CCNC1=O 40010007 AHPURCZNNAFWJQ-CQSZACIVSA-N 391.427 2.942 0 40 GFAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1cccc(OC(F)(F)F)c1 40051327 DQYMHWLCQWTIMV-UHFFFAOYSA-N 398.366 2.644 0 40 GFAB COCCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1 40146800 BRFMJNKIROZLSK-UHFFFAOYSA-N 380.491 2.800 0 40 GFAB CC(C)OCCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105946 FEWPPMYIRTVYDZ-UHFFFAOYSA-N 382.309 2.840 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 40285555 BQJINMLAWRZWMM-UHFFFAOYSA-N 377.400 2.760 0 40 GFAB CN1C(=O)c2ccc(C(=O)/N=c3/sccn3Cc3ccccc3)cc2C1=O 31088760 JQSRUJFPVDXZEM-QZQOTICOSA-N 377.425 2.565 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1CCN1CCOCC1 20307973 HKBVLWPWFSBPJK-SFHVURJKSA-N 396.468 2.732 0 40 GFAB CCN(CC)CCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 31941116 YZWPBISRXWPRIZ-UHFFFAOYSA-N 380.448 2.896 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 11448203 SGCUNBYMWSMTCQ-GFCCVEGCSA-N 393.534 2.747 0 40 GFAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CCc4ccccn4)CC3)c2c1 20744438 XKEMHLQAUVMUNT-NRFANRHFSA-N 378.476 2.857 0 40 GFAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)cc1 3341874 UHGPIIXIVVUACR-UHFFFAOYSA-N 393.432 2.767 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(F)c(F)c1 2647963 XDNMWXGHEFOTDR-KRWDZBQOSA-N 380.416 2.680 0 40 GFAB O=C(NC1CC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 4498602 IOHVLISPWVRZBL-UHFFFAOYSA-N 377.293 2.673 0 40 GFAB Cc1nc(SCC(=O)N2CCN(c3ccccn3)CC2)nc2ccccc12 6527688 HKUFPXSSXYTAMR-UHFFFAOYSA-N 379.489 2.774 0 40 GFAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 6593856 QRNUITIMFUXBSG-GQCTYLIASA-N 385.280 2.916 0 40 GFAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@H]2C)s1 6817994 PZZHBQZTUGTZRZ-LLVKDONJSA-N 380.495 2.663 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@H](C(C)C)N1CCOCC1 32809239 FGQYNQZASCPXEE-OAQYLSRUSA-N 399.539 2.645 0 40 GFAB Cc1cccc(OC[C@@]2(CNCc3cn(C)c4ccccc34)C[C@H](O)[C@H](O)C2)n1 107430361 IRCSPLGDPURNIO-IUTQVRIDSA-N 395.503 2.552 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(CCc2ccccc2)CC1 32809804 OTGISUXQKLYFGH-IBGZPJMESA-N 394.537 2.604 0 40 GFAB COc1cccc([C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N(C)C)c1 52839537 ZBAPPRIODSBPCE-FQEVSTJZSA-N 381.476 2.855 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)cc1C 9974568 ICHZKGCAZXLJEM-KRWDZBQOSA-N 394.537 2.663 0 40 GFAB O=S(=O)(N1CCCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 22410009 FRVIMGMELHXNHD-UHFFFAOYSA-N 391.459 2.948 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@H](O)CNC[C@H](c1ccccc1)N(C)C 22794395 ZRLNCRBQGNJIRM-WOJBJXKFSA-N 386.492 2.530 0 40 GFAB Cc1ccc(N2C(=O)c3sc4nc(=O)c(-c5ccccc5)nn4c3C2=O)cc1 954378 IYOYNGRZARRBKE-UHFFFAOYSA-N 388.408 2.927 0 40 GFAB CCN(C(=O)COC(=O)CNC(=O)c1ccco1)c1cccc2ccccc12 3295691 KFJBAEXVZIHVQU-UHFFFAOYSA-N 380.400 2.759 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)n2c1nc1ccccc12 23411140 DBYMIKRQUNWITJ-SFHVURJKSA-N 378.432 2.908 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)CCOc2cc(C)ccc2C)cc1 22003572 HNVZKPRTQLBLJT-UHFFFAOYSA-N 385.460 2.983 0 40 GFAB NC(=O)c1nn(-c2ccc(F)cc2)s/c1=N\C(=O)c1ccc(Cl)cc1 1417081 FLVBRUQLWSQBBO-SILNSSARSA-N 376.800 2.566 0 40 GFAB Cc1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 113958823 QNRRNDVLAJXUIW-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(OC)cc1O)CC3 25451446 QZXBQYYAHSFUGQ-UHFFFAOYSA-N 380.400 2.867 0 40 GFAB COc1ccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 113962818 MMIURKLLKFHZSL-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(C=O)c(=O)n2c1 27020566 LACOVOMOGTXKHL-UHFFFAOYSA-N 382.851 2.795 0 40 GFAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(C(=O)OC(C)(C)C)CC1 60089985 KONBRUZVAPOQED-CQSZACIVSA-N 399.499 2.811 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1 3315340 GODSRAJRWVYNQQ-UHFFFAOYSA-N 395.367 2.765 0 40 GFAB CNC(=O)c1ccc(CN(Cn2nc(C(F)(F)F)n(C)c2=S)C2CC2)cc1 27539976 BNAQIJAEAKYCDS-UHFFFAOYSA-N 399.442 2.952 0 40 GFAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1nn(C)c(=O)c2ccccc12 12700844 YOTIDOANGYFEDL-AZUAARDMSA-N 388.471 2.690 0 40 GFAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)c1 10273060 GMLMRZXUXUUEFI-UHFFFAOYSA-N 382.355 2.723 0 40 GFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccccc1OC 44902314 GHOMGLRUUXNUGF-LJQANCHMSA-N 387.480 2.742 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNCc1cc(Br)cs1 48341109 FAJIWGAVGNXWEU-UHFFFAOYSA-N 389.340 2.850 0 40 GFAB CC(C)CC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 58427735 JLAZKWWWUNCFPK-SNVBAGLBSA-N 397.360 2.730 0 40 GFAB Cc1csc2nc(CSc3nnnn3CCc3cccs3)cc(=O)n12 10857932 MGRWHVCVJWYEOD-UHFFFAOYSA-N 390.519 2.647 0 40 GFAB COc1cc(C)cc(OC)c1OCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 12850632 WCORSXIHQQYJET-UHFFFAOYSA-N 384.432 2.939 0 40 GFAB COc1ccccc1CN(CC(=O)Nc1c(C)nn(C)c1C)C[C@@H]1CCCO1 58919385 YQEFGRILXPQLNX-SFHVURJKSA-N 386.496 2.665 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 12862883 YBKARNTUCITJJS-UHFFFAOYSA-N 392.415 2.533 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cc(F)ccc1F 12945218 IJJOYHSZKWRMIS-UHFFFAOYSA-N 382.388 2.666 0 40 GFAB CS(=O)(=O)Nc1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)ccc1F 12913005 QHQDBGMDAROPAL-UHFFFAOYSA-N 386.788 2.832 0 40 GFAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1 12926623 MNAVYINIWCKRHE-UHFFFAOYSA-N 385.480 2.675 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1ccc(Cl)cc1Cl 3502288 LQXLAASKSNZXCY-UHFFFAOYSA-N 379.199 2.740 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)NC2CCCCC2)Oc2ccc(Cl)cc21 38832583 XGGKKSFSVTUBIU-MRXNPFEDSA-N 386.901 2.706 0 40 GFAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(OC)cc1 64837176 DDGUKMYGSCIWKW-UHFFFAOYSA-N 385.445 2.809 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2ccc3nc(NC(C)=O)sc3c2)CC1 13725405 OYWHWXZJBQOPDC-UHFFFAOYSA-N 375.450 2.670 0 40 GFAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)nc1 6107304 GIUSQFRJENQQEL-UHFFFAOYSA-N 380.473 2.804 0 40 GFAB O=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 6270569 HSNMMUCRGCLRQN-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 6346187 JMNVFZLTHMAPJQ-OAHLLOKOSA-N 379.865 2.689 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1 14187459 FNZFRENLBXRQQD-UHFFFAOYSA-N 380.444 2.827 0 40 GFAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NCCCN1CCCC1=O 6598460 AVINJPQOLDWPCS-UHFFFAOYSA-N 396.443 2.764 0 40 GFAB Cc1cc(NC(=O)[C@H](C)OC(=O)C2CCN(c3nc4ccccc4o3)CC2)on1 14319286 GJGAUALABFZYJT-ZDUSSCGKSA-N 398.419 2.911 0 40 GFAB COC(=O)C[C@H](NC(=O)Cc1ccccc1F)c1ccc(OC)c(OC)c1 14380114 QSFAGCWFUJEHHI-INIZCTEOSA-N 375.396 2.806 0 40 GFAB COc1cccc(/C=C2/NC(=O)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1 4680957 OQUOITNERHTTPG-LFIBNONCSA-N 395.415 2.544 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1F 9154760 VRGGYUWYVPRNND-CQSZACIVSA-N 394.468 2.641 0 40 GFAB COc1cc2nc(CN(C)CCOc3ccc(C)cc3)[nH]c(=O)c2cc1OC 15102678 MDWSZEJDNHZJEQ-UHFFFAOYSA-N 383.448 2.760 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 8124675 LOSQACFJWYJROT-IBGZPJMESA-N 389.473 2.988 0 40 GFAB COc1ccccc1N1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 8200783 VZKPJOUDNNKSQB-IBGZPJMESA-N 397.500 2.847 0 40 GFAB CN(CC(=O)N1CCCC1)CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 9503272 VGUMLUYYAIZDRZ-HXUWFJFHSA-N 393.487 2.708 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)C[C@H]1C(=O)N(C)Cc1ccccc1 79067257 VIHHPJMCBZITOL-NHCUHLMSSA-N 378.472 2.899 0 40 GFAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1C(N)=O 79106612 HROVZDLDUCJGKQ-UHFFFAOYSA-N 375.269 2.719 0 40 GFAB O=C(CN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1 72348718 JUUVNQJIKAWEMO-GOSISDBHSA-N 383.467 2.926 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccn(C)n1 95999670 OSWDKVORGJAUSN-SFHVURJKSA-N 394.479 2.887 0 40 GFAB COc1ccnc(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)n1 95999548 LBWZWLXJWZXURN-OAHLLOKOSA-N 378.436 2.845 0 40 GFAB COc1cc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc(Br)c1OC 62714905 OGNXHQWYMCSCRX-VBROQKIQSA-N 386.242 2.705 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2F)cc1Cl 62065736 FBMDMLLISJRLBQ-JTQLQIEISA-N 386.832 2.793 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218526910 DFNOHQDZDNWXQD-ZIFCJYIRSA-N 393.892 2.788 0 40 GFAB N[C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Br)cc1 72227680 JVUFMAVHLVFNIB-HZPDHXFCSA-N 375.222 2.636 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 72359895 UVFUYJFQMFGAKB-OAHLLOKOSA-N 375.469 2.669 0 40 GFAB Cn1cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c(C(F)(F)F)n1 562540786 QEOPRFLRYTYBJM-UHFFFAOYSA-N 396.416 2.590 0 40 GFAB COc1ccc(CN(C)C(=O)COc2ccc(N3CCCC3=O)cc2)cc1OC 45700239 XGISZUPMSSVANZ-UHFFFAOYSA-N 398.459 2.868 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCOCc2ccccc2)c(Cl)c1 224406599 CFQRRTZKEIXZIJ-UHFFFAOYSA-N 382.869 2.658 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 224005657 WLWARZSVGCPAFH-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 222664851 VOBJJJMHOCEPMA-OAHLLOKOSA-N 388.489 2.732 0 40 GFAB COc1ccc(-c2noc([C@@H](C)NS(=O)(=O)CC(C)C)c2C(=O)O)cc1 96297037 PKPBBQBSTVQPCD-LLVKDONJSA-N 382.438 2.685 0 40 GFAB biogenic,in-vitro CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(F)cc1)CC2 96036953 UYLVIBOHBZMSEA-UHFFFAOYSA-N 394.498 2.859 0 40 GFAB O=C(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccc2c(c1)OCO2 96269298 ZKEOVNHPHNCKLG-INIZCTEOSA-N 377.400 2.608 0 40 GFAB biogenic,in-vitro CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 257250707 JNRUDQBCAHELSL-QHCPKHFHSA-N 397.519 2.595 0 40 GFAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 257206777 BEWBWXLASTUAKF-WKILWMFISA-N 379.464 2.994 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c1 257329770 XLLZPMOUCBGGAI-MRXNPFEDSA-N 375.432 2.759 0 40 GFAB Cc1ncccc1C(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O 257299687 RRBRNPZZEPZCSF-UXHICEINSA-N 393.487 2.577 0 40 GFAB Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO[C@H]3c3cn[nH]c3)c2C)cc1 629264615 HLEYNEWJGLOZFM-HNAYVOBHSA-N 380.452 2.505 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C3CC3)N2)c1 653057978 ZFWSBSUGYBWYHE-VQTJNVASSA-N 399.516 2.981 0 40 GFAB O=C(O)[C@H](c1ccccc1F)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 656763304 MFVCAEGTEXKLFU-QAPCUYQASA-N 392.452 2.858 0 40 GFAB C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)CCc2nc3ccccc3o2)CC1 600387938 PQZRIQWLIFRORO-CQSZACIVSA-N 395.463 2.926 0 40 GFAB C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585098665 WLZDUXSQQBKQGS-AWEZNQCLSA-N 391.475 2.793 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4cccnc4)nc3[C@@H]2C)c1 585096478 PGIPNYSZMPFXMC-INIZCTEOSA-N 389.459 2.734 0 40 GFAB C[C@@H]1CCCN(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 46862358 YNRPHPNDMCLBIU-OAHLLOKOSA-N 393.478 2.665 0 40 GFAB CC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cscn4)CC3)cc2NC1=O 72339708 BICDHZJJXYLVDB-MRXNPFEDSA-N 399.472 2.988 0 40 GFAB COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCCN(C)C)cc1 2219188 FTBIYXJBYZDNNW-LTGZKZEYSA-N 395.503 2.842 0 40 GFAB COC(=O)COc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OC 5000751 WINCVMFUNGEDLW-OQLLNIDSSA-N 385.347 2.731 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 5192837 BRGZPRMPBBJZHG-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB CC(C)[C@@H](N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 11100370 RWHBDYQWHUDPTJ-KBXCAEBGSA-N 375.494 2.648 0 40 GFAB Cc1nc2cc([C@@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)nn2c(O)c1C 12134311 MNNMEWMKRFNRON-MRXNPFEDSA-N 397.479 2.995 0 40 GFAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nn2)c(C)c1C 13008973 YPOQOFKGIUCIPH-UHFFFAOYSA-N 394.454 2.689 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2cccs2)cc(N)c1=O 19080634 MRZZRCDQCVXCPW-LLVKDONJSA-N 398.444 2.525 0 40 GFAB CCc1nccn1CCC(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1 12126498 CWHRPZIMPOYISF-UHFFFAOYSA-N 380.452 2.687 0 40 GFAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 12227673 XHAMJWABBDPEEX-HIFRSBDPSA-N 375.519 2.924 0 40 GFAB COC1(c2nc(C3CC3)no2)CCN(Cc2ccc(F)cc2C(=O)O)CC1 659796011 WQCBKQAJPVSPMA-UHFFFAOYSA-N 375.400 2.922 0 40 GFAB CCCN1C(=O)NC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O 17271859 ZQBQWOAVHWPKRI-UHFFFAOYSA-N 384.263 2.930 0 40 GFAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@](O)(COc2ccccc2)CC1 2037912930 DYSMVKFYMJFWQV-GOSISDBHSA-N 397.397 2.725 0 40 GFAB Cc1ccncc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037988994 QJOJDYVOMVUZMG-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OC(C)C 4853530 IFFJNAVRIJKZKG-UHFFFAOYSA-N 381.226 2.959 0 40 GFAB CCC(CC)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072221 GHBSZQZEBYKOLA-UHFFFAOYSA-N 381.480 2.502 0 40 GFAB Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(F)ccc21 12063365 XDBYVEISTJXBQN-HTXNQAPBSA-N 378.450 2.670 0 40 GFAB Cc1ccc(OCC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nn1 1775965504 AKIFAVPFOYXXCM-UHFFFAOYSA-N 398.488 2.813 0 40 GFAB Cn1c(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2ccccc21 42380825 USFJIZOWEQFGGF-LFIBNONCSA-N 396.516 2.692 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)/C=C/c3cccs3)n2)cc1 42379557 RBXUFHAJYZJEQE-CSKARUKUSA-N 381.457 2.810 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)c(Cl)c1 49403976 FPXGWBRPLZUTPB-UHFFFAOYSA-N 390.852 2.555 0 40 GFAB CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc3c(c2)CCO3)cc1C 40072537 RDUPZUCYUXDXNL-UHFFFAOYSA-N 389.429 2.964 0 40 GFAB Cc1cc(C)n2nc(SC[C@@H]3CSc4nnc(-c5cccnc5)n43)nc2n1 30532509 CSIHSJHFGHCYNF-CYBMUJFWSA-N 396.505 2.834 0 40 GFAB CC(C)Oc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20485207 JQGSZAXSHJKNII-GOSISDBHSA-N 390.461 2.640 0 40 GFAB NC(=O)c1ccccc1OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 11320852 YFPGGRIPAGLQHC-UHFFFAOYSA-N 396.443 2.521 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccncc2)cc1C 72038374 QQKHZGZNOMFAML-INIZCTEOSA-N 375.494 2.539 0 40 GFAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC[C@H](C)c1ccccc1 7679650 PKXNQNROTYFWLN-GJZGRUSLSA-N 378.428 2.993 0 40 GFAB O=C(NCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801542 PYLCNFCWIRRMKR-QGZVFWFLSA-N 378.881 2.810 0 40 GFAB Cc1cc(-n2nnc(C(=O)NCc3ccncc3)c2C)ccc1Br 51317935 JEZQQBOCDIHTNV-UHFFFAOYSA-N 386.253 2.972 0 40 GFAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N1CCN(C(=O)C2CC2)CC1 51428995 HURUMPFUBJGSPT-KRWDZBQOSA-N 398.532 2.514 0 40 GFAB CCCn1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 1361020 CEEAYTKWASDFCC-UHFFFAOYSA-N 386.437 2.659 0 40 GFAB CCOC(=O)Cn1c(=O)n2nc(-c3cccnc3)nc2c2c(CC)c(C)sc21 32106087 IWUCHVYGASMJBR-UHFFFAOYSA-N 397.460 2.602 0 40 GFAB COc1ccccc1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 32124127 AKTOHIYULWGHCW-UHFFFAOYSA-N 399.443 2.882 0 40 GFAB biogenic CCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 4062071 SQJFPBQPHGBKIT-HSQYWUDLSA-N 388.508 3.000 0 40 GFAB biogenic Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1C 4352333 VFJLZRWTSRHXCM-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 6111999 FJQUIXXBNVUIEZ-OAQYLSRUSA-N 382.416 2.662 0 40 GFAB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCC(=O)N(CC)CC 6948736 BBNFUSXBDANLCD-LFIBNONCSA-N 385.464 2.518 0 40 GFAB CN1C(=O)c2ccc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc2C1=O 32776638 FCWCJJIQOVUCPF-MRXNPFEDSA-N 380.400 2.723 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1C 10301251 YNVKNYNLUOJGAZ-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB CCn1c(=O)n(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc21 32848003 XPCSHFQXTCLXSH-CYBMUJFWSA-N 394.431 2.571 0 40 GFAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cc(OC)ccc1OC 2703009 CDNHHLCTDDNNFC-ZUZCIYMTSA-N 376.434 2.525 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 32933113 CVOGSAMEJQPCEA-HOCLYGCPSA-N 390.509 2.506 0 40 GFAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)no2)cc1 21786632 AARWDULEQYCBQE-UHFFFAOYSA-N 387.417 2.640 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)NCCOc1ccccc1 7799529 ZMVWJLJYFHOJEC-UHFFFAOYSA-N 395.488 2.962 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 22274513 BSKPULQTYCPBET-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)CC(=O)N2 53399742 FHGJLSDEGVPTBK-SNVBAGLBSA-N 399.501 2.997 0 40 GFAB CS(=O)(=O)c1ccc(NCc2ccc3c(c2)CCC3)c(S(C)(=O)=O)c1 83989556 SYHWSUVGQOEQRT-UHFFFAOYSA-N 379.503 2.594 0 40 GFAB O=C(NCc1ccco1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102139608 PMCXEGKYIKKDNM-FZWBFHRNSA-N 388.423 2.767 0 40 GFAB CCOc1ccc(CN(C)CN2C(=O)C(=O)c3cc(OC)c(OC)cc32)cc1 96747834 LDEPVDZNAKSFLI-UHFFFAOYSA-N 384.432 2.721 0 40 GFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)ccc1OC(F)F 106751104 UIWJWMPTAJKJDQ-GHXNOFRVSA-N 387.360 2.896 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 899784 KCVTXPBBOGNYOZ-UHFFFAOYSA-N 378.881 2.628 0 40 GFAB CCN(CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 23197900 WDWHUUYBJMULOK-TZIWHRDSSA-N 380.488 2.837 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC 1074430 MBQYDYWCQPCOFA-UHFFFAOYSA-N 390.505 2.832 0 40 GFAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 24387106 BHIWIDXDGDJTEZ-UHFFFAOYSA-N 381.407 2.582 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CC2)cc1 12739049 UPHZADMBCCWKKY-MRXNPFEDSA-N 394.471 2.935 0 40 GFAB CC(C)C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2312314 UANFAVUKWWTYKV-SFHVURJKSA-N 393.443 2.723 0 40 GFAB O=C(Cn1nnn(-c2cccs2)c1=O)N(Cc1ccccc1)c1ccccc1 10817072 MPJNTPQQAMCGSU-UHFFFAOYSA-N 391.456 2.724 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(F)cc1Br 11239671 MUBGLPBQIQXSQS-UHFFFAOYSA-N 385.258 2.798 0 40 GFAB O=C(Cn1nnn(-c2ccccc2)c1=O)N(Cc1ccccc1)c1ccccc1 11296005 QRBWFDGDQBBNGV-UHFFFAOYSA-N 385.427 2.662 0 40 GFAB Cc1noc(C)c1COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3431794 NYWQYWSYGBUQQP-UHFFFAOYSA-N 396.440 2.575 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2)c1ccco1 7912715 DWZHGJWYIYTCOS-INIZCTEOSA-N 378.384 2.988 0 40 GFAB CCCCN(Cn1nc(-c2ccccc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12924215 CDMHWGQPILUXIA-INIZCTEOSA-N 394.566 2.865 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)s1 12906170 WOMSBECOMIYZRN-CYBMUJFWSA-N 398.554 2.805 0 40 GFAB C[C@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)c1ccccc1 13010916 MKGGXHCKJMTSFP-ZDUSSCGKSA-N 384.461 2.701 0 40 GFAB Cc1cc(C)n2nc(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)nc2n1 16618641 QPIHHLWJRMWDDE-UHFFFAOYSA-N 397.443 2.683 0 40 GFAB COc1cccc([C@@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)c1 13126976 BRPXMAWIGYWFFY-LJQANCHMSA-N 375.432 2.892 0 40 GFAB COc1ccc(O)c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(C)c2)c1 8217125 KCKUOXCOQRTOFV-UHFFFAOYSA-N 375.384 2.874 0 40 GFAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ncc(Br)s2)cc1 6226582 AKOWHLLEWVJOAM-UHFFFAOYSA-N 384.255 2.767 0 40 GFAB CN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1cccs1 6220214 PBFHJHBETCEBTP-UHFFFAOYSA-N 389.296 2.770 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(C)=O)cc1 18085107 KMQQVCBQKMMPLC-TUFLPTIASA-N 388.423 2.674 0 40 GFAB COc1cc2[nH]c(O)c(C(=O)NCc3ccc(Cl)cc3)c(=O)c2cc1OC 18098333 WXJOZLHDLRCHQX-UHFFFAOYSA-N 388.807 2.834 0 40 GFAB CCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(Br)cc1F 14865498 PNBFLWPWLITZEW-UHFFFAOYSA-N 389.265 2.730 0 40 GFAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)CCCC2 5870933 VEOPBRBWHANYIV-UHFFFAOYSA-N 376.412 2.739 0 40 GFAB COc1ccc(CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(OC)c1 27088293 SHVIBEZVPWFQCN-UHFFFAOYSA-N 395.459 2.922 0 40 GFAB C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NC3CC3)n2Cc2ccco2)C1 8752547 GDBDQPDGISWGNF-ZIAGYGMSSA-N 389.525 2.772 0 40 GFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2O1 7252729 SRROGWTXDHITGP-INIZCTEOSA-N 394.258 2.946 0 40 GFAB O=C(CSc1nc(Cl)nc2nc[nH]c12)NCCc1c[nH]c2ccccc12 8991064 SQOPXFSDGPMSOA-UHFFFAOYSA-N 386.868 2.939 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 71285443 NDZPIEBSUCWQQH-DLBZAZTESA-N 379.416 2.580 0 40 GFAB O=C(NCC(=O)N1CCCc2ccccc21)c1ccc(N2CCCC2=O)cc1 9500454 CZVUEHFXXJJACU-UHFFFAOYSA-N 377.444 2.523 0 40 GFAB CCCn1nc(-c2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)ccc1=O 84759118 RSDVMZYZQBEQHT-GFCCVEGCSA-N 377.445 2.501 0 40 GFAB COc1ccc(N(CCCC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 113962248 HGXHGUQVSYBDMG-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC(C)C)c1 408710002 KSMGNEHJPMZXPX-UHFFFAOYSA-N 397.475 2.726 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)cc1 409392339 RKRUGYRBODUGPK-UHFFFAOYSA-N 390.461 2.544 0 40 GFAB NC(=O)C1CCN(CCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)CC1 507899234 SZLVWBAZBJMPRL-UHFFFAOYSA-N 387.430 2.957 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CCC(C)CC1 408594447 SABRNMIOFFSGRE-UHFFFAOYSA-N 394.537 2.807 0 40 GFAB COC(=O)c1ccc(NC(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 31810071 XIGKSGPJVKDXOX-UHFFFAOYSA-N 396.447 2.505 0 40 GFAB COc1cc([C@@H]2C3=CNNC3=Nc3c2c(=O)oc2ccccc32)cc(OC)c1O 524731555 BNRWVRXTIDANIY-MRXNPFEDSA-N 391.383 2.683 0 40 GFAB biogenic CCCCOc1cccc(C(=O)NC(=S)Nn2c(C)nnc2SC)c1 33748341 HWEVGVGTFMKTIV-UHFFFAOYSA-N 379.511 2.746 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 72350657 NNLVLJBSPOWYDB-QGZVFWFLSA-N 377.448 2.620 0 40 GFAB O=C(O)c1ccc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1 566295425 SKLROXHBZUOIFO-UHFFFAOYSA-N 380.370 3.270 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 49842674 KAROLPVOOHVLBS-INIZCTEOSA-N 396.443 2.929 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2=O)cc1 45388901 QNYNAEWTPXAGIS-ZBFHGGJFSA-N 398.459 2.943 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2Cl)cc1 223529091 CNPMMBIPLUHDFR-UHFFFAOYSA-N 398.937 2.999 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)c1 47461993 YCFRMXBEIIQRLU-UHFFFAOYSA-N 379.478 2.850 0 40 GFAB Cc1cccc(Oc2cc(CNC(=O)N3C[C@H]4COC[C@@H](C3)O4)ccn2)c1C 571182437 VKTIXPXMDSTSDC-HDICACEKSA-N 383.448 2.800 0 40 GFAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NC(C)C)n1 225887587 XFGKANKTEOUKBK-UHFFFAOYSA-N 386.525 2.507 0 40 GFAB Cc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223268026 RGDYYOQVAXCHTF-HNNXBMFYSA-N 378.469 2.773 0 40 GFAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nnc([C@H]2CCCO2)s1 96118526 ISYQVVGXHXWYNM-OAHLLOKOSA-N 385.449 2.941 0 40 GFAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(F)c(F)c2)COC1 96112744 VYJMOPCOXKJERP-AWEZNQCLSA-N 387.386 2.962 0 40 GFAB biogenic,in-vitro Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC(CCn2cccn2)CC1 95517069 HGXGXJNGQIIVNH-UHFFFAOYSA-N 378.476 2.835 0 40 GFAB COC(=O)c1nc(NC(=O)COc2c[nH]c(C)cc2=O)sc1-c1ccccc1 95477740 ISQRAQSXZNPVPX-UHFFFAOYSA-N 399.428 2.611 0 40 GFAB O=C1CC[C@H](CC(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)CN1 580414629 ZMMOCXGABKIJHU-SECBINFHSA-N 396.672 3.506 0 40 GFAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 244199542 VNVSYELZFDYNHS-GFCCVEGCSA-N 388.917 2.664 0 40 GFAB COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)c1 252444333 FBIWEBDTUSGSDW-RVKKMQEKSA-N 394.349 2.799 0 40 GFAB CC(C)CN1C(=O)C2(CCN(C(=O)CN(C)C)CC2)C[C@@H]1Cc1ccccc1 257281424 OPDKURXDQMLJFP-FQEVSTJZSA-N 385.552 2.656 0 40 GFAB COc1cccc(O[C@H]2CCN(C(=O)COc3cccc(F)c3)CC[C@@H]2O)c1 257328067 XDZLMFZJJGXESB-PMACEKPBSA-N 389.423 2.644 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)[C@H]1O 257323989 WMSBXZVRXXOEAH-NJDAHSKKSA-N 382.508 2.672 0 40 GFAB COc1ccccc1N1CC[C@@H](NC2CCN(CCC(F)(F)F)CC2)C1=O 272558802 NHZWWAHPBDKTTD-OAHLLOKOSA-N 385.430 2.807 0 40 GFAB Cn1ncc(C2CCC2)c1CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 619245068 WOFBXLSYFZYFFX-UHFFFAOYSA-N 396.535 2.822 0 40 GFAB Cn1cc(C(=O)N2CC3(CC[C@@H](CN4CCCCC4=O)CO3)C2)c2ccccc21 575403353 JLQNETXDHYHOQW-KRWDZBQOSA-N 395.503 2.812 0 40 GFAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585291923 HDRWIFBBSGYNLA-PSKZRQQASA-N 396.476 3.393 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1OC 5202163 UWOZKHJJTPSDAC-MRXNPFEDSA-N 397.431 2.833 0 40 GFAB CC(=O)N1CCN(c2c3c(nc4c(-c5cccs5)c(C)nn24)CCC3)CC1 12113396 JAMGTJCBOYPGAO-UHFFFAOYSA-N 381.505 2.923 0 40 GFAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2cc3ccccc3c(=O)[nH]2)on1 12160142 OGFCYUBEEYXBTD-UHFFFAOYSA-N 389.415 2.562 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 12184936 SKVALCBKMQILHH-GFCCVEGCSA-N 394.357 2.548 0 40 GFAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(OC(F)F)cc1 12774463 JBMLQZWSNJXIRV-LLVKDONJSA-N 390.390 2.917 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(OC(F)(F)F)cc1)C2=O 18023684 XPCXIZZAQKPZOI-UHFFFAOYSA-N 385.342 2.731 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2 19017353 OLDCNWJMFHWBHO-FQEVSTJZSA-N 396.466 2.817 0 40 GFAB Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3cccs3)o2)cnn1C 19553939 HYXHRNNXNXTJHX-GFCCVEGCSA-N 393.494 2.756 0 40 GFAB Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)[C@H]2CC=CCC2)n1 19697300 KVGUDWUQZWNHCI-SFHVURJKSA-N 378.476 2.730 0 40 GFAB CC(C)C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 19758612 HJNHIHMGXRPQBQ-UHFFFAOYSA-N 375.498 2.566 0 40 GFAB O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CC[C@H](C(=O)Nc2nccs2)CC1 101645738 YRFHZCONXMOQAT-BETUJISGSA-N 384.461 2.591 0 40 GFAB O=C([C@@H]1CN(Cc2c(F)cccc2Cl)CCO1)N1CCC(F)(F)CC1 2087138885 ISGUQTFLWLYMCF-HNNXBMFYSA-N 376.806 2.938 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)OC)cc1 4275671 LFSLMOXQUIEEMC-UHFFFAOYSA-N 396.490 2.818 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2=O)c1 4497145 CXRWSAHGXCQWIM-CQSZACIVSA-N 391.427 2.589 0 40 GFAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1c(F)cccc1F 4569499 GRKALNUTZNAPBF-NSHDSACASA-N 386.445 2.609 0 40 GFAB CCOC(=O)N1CCc2nc(NC(=O)COc3ccc(F)cc3)sc2C1 35590716 VQVAYYWHLKQTIS-UHFFFAOYSA-N 379.413 2.814 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)c1csc2ccccc12 585147988 BTFRCSUFEAIUEY-QGZVFWFLSA-N 389.498 2.915 0 40 GFAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)cc1 4518738 PTZYEYAOBNHIQP-UHFFFAOYSA-N 389.415 2.582 0 40 GFAB C[C@](O)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 77186780 QDDLHUWWCGXKOD-ZDUSSCGKSA-N 381.397 2.833 0 40 GFAB O=C(c1cc(Br)ccc1F)N1CCC(CN2CCOCC2)CC1 40118560 RLXFZUJMVCLYGN-UHFFFAOYSA-N 385.277 2.773 0 40 GFAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nnc(C)s1 40268489 XDQNPKXESXLXRW-LJQANCHMSA-N 399.476 2.564 0 40 GFAB Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1 932408 DYCCPZRLWKFEHG-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB O=C1N[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 1295777 BPVKQRQJQSDSDR-XJKCOSOUSA-N 399.756 2.839 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 2225684 ALVVWKQATISNSH-UHFFFAOYSA-N 388.323 2.831 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(Br)cc2)c1 2646933 BZDJJKGYPVEYFE-UHFFFAOYSA-N 390.237 2.776 0 40 GFAB COc1cccc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1OC 2658957 IGXOXPNANRBBGQ-VQHVLOKHSA-N 384.384 2.914 0 40 GFAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc2c(c1)OCO2 2724865 ABZTXSHCWDNBKR-NDEPHWFRSA-N 399.403 2.755 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC)c(OC)c2)c1C 3275925 JEYKBAGVZNMTTC-UHFFFAOYSA-N 389.404 2.865 0 40 GFAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 4182846 FLPYNGXIWLRCET-IBGZPJMESA-N 387.501 2.898 0 40 GFAB COc1ccc(OC)c(NC(=O)CCC2=NS(=O)(=O)c3ccccc3N2)c1 4371783 INUQMMWNGFYORO-UHFFFAOYSA-N 389.433 2.635 0 40 GFAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 4702416 XAVVCGGMYMMXGN-YDRQLGOLSA-N 396.399 2.640 0 40 GFAB CCOCCCNC(=S)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 4909947 ZMTPDVQVLKPIEC-UHFFFAOYSA-N 382.505 2.713 0 40 GFAB CCOc1cccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)Nc3ncnn32)c1 4987112 FLLBLHUPWKGHTC-WMZOPIPTSA-N 384.436 2.688 0 40 GFAB COc1ccccc1OCCN1C(=O)[C@@](O)(CC(C)=O)c2cc(Cl)ccc21 4988082 HJZMCJJBZAAIBT-HXUWFJFHSA-N 389.835 2.941 0 40 GFAB CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6540454 ZIJIQKCSNYSBFU-AWEZNQCLSA-N 394.427 2.805 0 40 GFAB O=C(O)COc1ccc(C(=O)OCC(=O)c2cccc(Br)c2)cc1 6940663 ONIKGXWITBTGCU-UHFFFAOYSA-N 393.189 2.952 0 40 GFAB O=c1[nH]c(Cn2nnc(-c3ccccc3Cl)n2)nc2sc3c(c12)CCC3 7285595 QUSMQAUSFSPQAM-UHFFFAOYSA-N 384.852 2.829 0 40 GFAB Cc1ccc(CNC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 8372467 QZVKCRBSRNERME-UHFFFAOYSA-N 387.288 2.897 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc21 8586851 YJGNMUFGWDAYKT-UHFFFAOYSA-N 387.461 2.610 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccnc1 8992278 WCTWVIZRYHZSPF-PZJWPPBQSA-N 380.469 2.931 0 40 GFAB Cn1cc(C(=O)Nc2ccc(F)cc2)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 9820333 INYDPVAWOFFGRS-UHFFFAOYSA-N 396.353 2.548 0 40 GFAB NC(=O)NC(=O)[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 10026743 MBBJKVXXVPQZTD-HNNXBMFYSA-N 394.460 2.703 0 40 GFAB Cc1ccc(N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1C 10434067 BKAQYCAZTOKAHF-UHFFFAOYSA-N 384.542 2.781 0 40 GFAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)s1 10627709 CGVFJPZTPHFGSX-UHFFFAOYSA-N 379.507 2.637 0 40 GFAB CCn1c(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)nc2ccccc21 10651749 MTEPFPSSCYHCCS-BUHFOSPRSA-N 398.488 2.927 0 40 GFAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(S(N)(=O)=O)s1 11205900 UNIHYQDPAIDTQO-UHFFFAOYSA-N 399.544 2.819 0 40 GFAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC2)Oc2ccccc21 12293388 OLURAHSSWPUPKF-OALUTQOASA-N 397.471 2.842 0 40 GFAB CCOC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(C)c3)CC2)cs1 12440520 UEJRGSNNNQRFCC-UHFFFAOYSA-N 388.493 2.911 0 40 GFAB C[C@@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 12774869 UKXBLDLYMASJOG-MRXNPFEDSA-N 381.476 2.920 0 40 GFAB Cc1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nn1-c1ccc(F)cc1 12790312 XYAGAJDRWLXLPC-JTQLQIEISA-N 381.367 2.687 0 40 GFAB COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1ccc(C)cn1)C(F)(F)F 13563919 OPWGLVZGYRQGLR-QGZVFWFLSA-N 381.354 2.592 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(F)c1 14162387 MFOKYLRSJVHQQN-HNNXBMFYSA-N 380.375 2.925 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 14220438 RMIXRCBYDIHUJP-LBPRGKRZSA-N 378.450 2.702 0 40 GFAB CCCCN(C(=O)CC(C)(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14510482 CNXNOJQAZVYKCT-UHFFFAOYSA-N 386.496 2.736 0 40 GFAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2)nn1-c1ccccc1F 18073098 AOZNWQVOVLOPBR-UHFFFAOYSA-N 381.407 2.831 0 40 GFAB COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cccc(C)c4)C3=O)c2c1 18240788 ACWYBBFFTQMMFX-FQEVSTJZSA-N 377.444 2.949 0 40 GFAB Cc1nn(CCC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c(C)c1C 19557119 JGDWZEDABZXGDG-FQEVSTJZSA-N 396.539 2.730 0 40 GFAB Cc1c(C(=O)N[C@@H](C)CNc2nc3c(c(=O)[nH]2)CCCC3)oc2ccccc12 19566306 XFHAHCBIZHDMIZ-LBPRGKRZSA-N 380.448 2.934 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)CCn3nc(C)cc3C)c2C2CC2)on1 19573940 KCVSXXBHOYJPKG-UHFFFAOYSA-N 382.468 2.744 0 40 GFAB C[C@@H]1[C@@H](NC(=O)C2CC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]12 20466626 QRLPNJWAPSTPDF-NDMQNLIPSA-N 376.541 2.619 0 40 GFAB biogenic,in-vitro Cc1nnc(NC(=O)Cc2cc(O)nc(SCc3ccccc3F)n2)s1 23138373 AUNCGTKXTWNVTQ-UHFFFAOYSA-N 391.453 2.955 0 40 GFAB NS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)c1 23390219 YBCJJLDUWAAWOG-UHFFFAOYSA-N 389.454 2.769 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)ccc2N1 25376183 DXVOGMCCYHMXAI-RYUDHWBXSA-N 376.400 2.971 0 40 GFAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(N2CCOCC2)nc1 27134677 QEEHIZSKZAFZMA-UHFFFAOYSA-N 377.448 2.675 0 40 GFAB O=C(c1ccccc1F)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556181 OYLKIWFJHHUIBA-UHFFFAOYSA-N 394.406 2.503 0 40 GFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 29529704 GJIZYYRNJNOOIH-GJZGRUSLSA-N 382.382 2.839 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccccc3F)ccc2N1S(C)(=O)=O 32739283 RTUIJWORHDMBKG-CYBMUJFWSA-N 376.453 2.809 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cc1NS(C)(=O)=O 32771531 FRQSPYSTJZONCV-LLVKDONJSA-N 381.429 2.645 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814349 MUBKEPDEUFOBEX-UHFFFAOYSA-N 391.836 2.639 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 32850760 MHAABRSUHIKUFT-UHFFFAOYSA-N 388.367 2.543 0 40 GFAB COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1C(=O)O 33304190 ULFCKAXSYGZSOB-NVMNQCDNSA-N 377.194 2.920 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 36384377 YHXGYQKOYWFHJD-SIXWZSSISA-N 394.537 2.570 0 40 GFAB CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(OCC(C)C)c(OC)c1 40049147 ZXDNZYZMQSTHCV-OAHLLOKOSA-N 381.494 2.851 0 40 GFAB COc1cccc(-c2c3c(=O)n(Cc4ccncc4)ccc3nc3nc(C)nn23)c1 40398518 CEBMQHHNQZOPCL-UHFFFAOYSA-N 398.426 2.867 0 40 GFAB O[C@H](COCCOc1ccc(F)cc1)CN1CCN(c2ccc(F)cc2)CC1 41690270 RSIYMMMXSLSRFV-FQEVSTJZSA-N 392.446 2.543 0 40 GFAB CC[C@H](C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(OC)cc2)nc1=O 44804314 HIVRGZSSILSNBV-LJQANCHMSA-N 394.431 2.912 0 40 GFAB CC1CCN(CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 44838888 NXOFLXXCZHDANG-UHFFFAOYSA-N 387.933 2.563 0 40 GFAB CCC(=O)N1CCc2cc(C(=O)NCCN3CCc4ccccc4C3)ccc21 44982468 CUVCOJPNNINTQY-UHFFFAOYSA-N 377.488 2.774 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 48403108 VTCQCEXXXLZSLS-MOXGXCLJSA-N 382.508 2.862 0 40 GFAB CCN(CC(=O)NC(C)C)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 50958586 QFXKGXVYHGQPFV-UHFFFAOYSA-N 375.494 2.943 0 40 GFAB Cc1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 55954734 UQIYFNKUYZUMII-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCC[C@H](O)C1 56992440 NBFFNNRXFORYEY-KRWDZBQOSA-N 385.430 2.836 0 40 GFAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 57553078 USZMNIPJUXBKPE-GOSISDBHSA-N 378.432 2.943 0 40 GFAB CCOc1nnc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 58160197 BPIWLSQZUSKAFU-UHFFFAOYSA-N 378.473 2.604 0 40 GFAB COc1cccc(-n2cc(CNS(=O)(=O)c3cccc(Cl)c3C)nn2)c1 58202700 NVXKSKQNKRWWIG-UHFFFAOYSA-N 392.868 2.716 0 40 GFAB COC(=O)c1cc(NC(=O)NCc2ccnc(-n3cccn3)c2)c(F)cc1F 58203427 VQLKRRRCUJCVEL-UHFFFAOYSA-N 387.346 2.654 0 40 GFAB Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)N3CCCC[C@H]3C)c2)n1 58418041 MQNYZDHQWQVEOX-MRXNPFEDSA-N 376.526 2.757 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2ccccc2F)c1 58565030 KVBKWSAUFDRLNG-UHFFFAOYSA-N 383.466 2.824 0 40 GFAB C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1C(=O)c2ccccc2C1=O 59897461 GWZQBXJDTGXVPL-AWEZNQCLSA-N 397.862 2.673 0 40 GFAB Cc1nc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)sc1C 71335323 OLEWHCQZGGHOJY-CQSZACIVSA-N 387.509 2.619 0 40 GFAB COCCN1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)CC1 72341193 QRIKKNPLOXPGSP-UHFFFAOYSA-N 398.898 2.956 0 40 GFAB Cn1nc(N2CCC[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)ccc1=O 77100946 GXRCWWCCKXSQPA-GFCCVEGCSA-N 380.370 2.654 0 40 GFAB COc1cc(OC)cc(C(=O)NCc2nc3ncc(Br)cc3[nH]2)c1 78879055 JQYVSWFPHGLAJH-UHFFFAOYSA-N 391.225 2.668 0 40 GFAB C[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccc(N2CCOCC2)cc1 79051205 VBPYAHQYJAXYDP-SFHVURJKSA-N 394.519 2.802 0 40 GFAB COc1ccc([C@H](CO)N(C)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 83881705 CWEWMLWVUOLMPT-NRFANRHFSA-N 398.507 2.644 0 40 GFAB O=C(CCc1cccc(OC2CCCC2)c1)NCC1CCS(=O)(=O)CC1 89780679 OOLFZNKLMCMDMQ-UHFFFAOYSA-N 379.522 2.882 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OC 95424069 DXISZFGYNLFJGR-LBPRGKRZSA-N 375.425 2.670 0 40 GFAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2n[nH]c(CCC3CCCC3)n2)n[nH]1 95480902 KQQHJVQNOOVQOJ-UHFFFAOYSA-N 382.472 2.920 0 40 GFAB CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CCN(C(=O)NC(C)C)CC2 96260603 CLDRTSVGSDAVGM-UHFFFAOYSA-N 387.528 2.560 0 40 GFAB CCOCCCNC(=S)N1[C@@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2 100433873 HMAMSDRUYWHYFN-QZTJIDSGSA-N 396.601 2.915 0 40 GFAB COCCn1/c(=N/C(=O)C2CCCCC2)sc2cc(S(C)(=O)=O)ccc21 100872796 VIXHMIXHCAFDKS-HNENSFHCSA-N 396.534 2.760 0 40 GFAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 109004123 NUJOYCPWMBWKSL-MDZRGWNJSA-N 382.526 2.966 0 40 GFAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1 217454340 QTXNCEYQYWJDPH-UHFFFAOYSA-N 382.482 2.612 0 40 GFAB COC(=O)c1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219165947 OULYTYPDHLFAPO-UHFFFAOYSA-N 390.461 2.658 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)N(C)Cc1ccccc1)S(C)(=O)=O 220325090 WIRQQQYSTKRZDT-INIZCTEOSA-N 390.505 2.817 0 40 GFAB CCN(c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1)S(=O)(=O)CC 222391224 YWERHGWNSXYOQF-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cccc(Cl)c1 222767324 JATWOAYFNRLNOB-UHFFFAOYSA-N 394.880 2.558 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1C 222870419 XZHBEAUPYLJBFU-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(C)c2)ccc1OC 223879250 JIPANBRZMYQPMU-UHFFFAOYSA-N 376.478 2.574 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 224217107 ALDZAELYFLARFE-VQIMIIECSA-N 390.505 2.511 0 40 GFAB CC(C)c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224822133 MZYLQHCPOCZOIH-UHFFFAOYSA-N 391.445 2.861 0 40 GFAB O=C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225758781 CWIUWPKUHWOCQP-UHFFFAOYSA-N 389.411 2.913 0 40 GFAB COc1cccc(CNC(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)c1 225781151 ONXYLPLQJOOQSI-UHFFFAOYSA-N 398.850 2.624 0 40 GFAB COc1ccc(CCNC(=O)NCc2nnc3cc(C(F)(F)F)ccn23)cc1 225808073 RIKXWFXMFKUPFD-UHFFFAOYSA-N 393.369 2.799 0 40 GFAB CSc1ncccc1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 253403097 PIJOYPNTWXVRAW-UHFFFAOYSA-N 382.474 2.900 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 253406633 UULIGWJAFRPNCF-SFHVURJKSA-N 395.478 2.887 0 40 GFAB biogenic,in-vitro O=C(Cc1ccc(F)cc1F)NCc1nnc2ccc(-c3ccsc3)nn12 253473695 XJJACPCBBUVLBH-UHFFFAOYSA-N 385.399 2.990 0 40 GFAB NC(=O)C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1cccc(Cl)c1 257280724 OMCDLHNYGRUJSK-FZMZJTMJSA-N 379.869 2.582 0 40 GFAB COc1ccc(-c2ccc3c([C@H]4CN(C(=O)C5CC5)CCO4)nnn3c2)cc1 306136913 QGLWUNVWHBWKQV-LJQANCHMSA-N 378.432 2.715 0 40 GFAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC(N2CCc3sccc3C2)C1 390828925 VJWDHBJWUJDIOA-UHFFFAOYSA-N 378.501 2.876 0 40 GFAB Cc1c(C(=O)Nc2ccc3c(c2F)CCNC3)nnn1Cc1ccc(F)cc1 562979355 PFZYSHNROAIDEH-UHFFFAOYSA-N 383.402 2.811 0 40 GFAB COc1cccc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)c1 585105556 ZTHHGQAXRWAOKN-GOSISDBHSA-N 377.506 2.839 0 40 GFAB C[C@@H](O)C(=O)N1CC2(CCOCC2)c2cc(-c3cnn(CC4CC4)c3)ccc21 585105824 QQWVJORJJDROEH-OAHLLOKOSA-N 381.476 2.736 0 40 GFAB Cc1nccc(OC2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 585146992 FLUQAIFJGUBQIP-MRXNPFEDSA-N 390.484 2.554 0 40 GFAB COc1ccc(CNc2nc(N3CCC[C]3CO)ncc2C(=O)O)cc1Cl 1560408707 XYGQHOQWTMOLMS-UHFFFAOYSA-N 391.835 2.573 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522644 MJSJOJMWRBOKIE-MRXNPFEDSA-N 384.567 2.514 0 40 GFAB O=C(NCCN1CCN(c2cc(OCC3CC3)ccn2)CC1)c1ccccc1F 1615580839 NIFQWUQXVQUJBK-UHFFFAOYSA-N 398.482 2.562 0 40 GFAB COCCc1nsc(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)n1 1888890437 MSMOKCPWSPJWFJ-UHFFFAOYSA-N 399.520 2.662 0 40 GFAB COc1cccc(NC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)c1 1888904069 KFSRASQITFAPHO-HOTGVXAUSA-N 393.491 2.882 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ncccc3C(F)(F)F)C2)nn1C 1889130432 ZXHPEUVWQUNSIC-CYBMUJFWSA-N 381.402 2.883 0 40 GFAB CCOc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2cnn(C)c2)cc1 1889274368 PNPRXTPLZFSTHE-UHFFFAOYSA-N 392.459 2.783 0 40 GFAB O=C(CN1CCCC1=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890009027 IXIYFCADCAWQGR-UHFFFAOYSA-N 378.476 2.836 0 40 GFAB COc1ccc2nc(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)sc2c1 2086889524 NZFBNIMRKDWFEW-GFCCVEGCSA-N 381.523 2.698 0 40 GFAB CN(C1CCN(Cc2cccc(Br)c2)CC1)S(=O)(=O)C1CC1 2087147320 ZUKAAKKMBMWNSH-UHFFFAOYSA-N 387.343 2.838 0 40 GFAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 45806384 IJOUZEYTOQBOBN-DJJJIMSYSA-N 375.494 2.720 0 40 GFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 675434 IFASGLVEOXFDIW-UHFFFAOYSA-N 383.433 2.542 0 40 GFAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 29347560 KAFYWJNFLIFDEM-UHFFFAOYSA-N 396.472 2.819 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 29331961 DSILQUTVANUFJV-UHFFFAOYSA-N 386.477 2.522 0 40 GFAB COc1ccc(CC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)cc1 879311 RPLDDGIFYXDKLP-KRWDZBQOSA-N 379.338 2.520 0 40 GFAB Cc1cccn2c(=O)cc(CNc3ccccc3C(=O)NC[C@@H]3CCCO3)nc12 8156746 UMFGFUQOYAZNFS-KRWDZBQOSA-N 392.459 2.524 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]23)c1OC 101300077 NCPIHPKANQWILO-APWZRJJASA-N 380.400 2.613 0 40 GFAB Cc1ccccc1N(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)C(=O)c1ccco1 4544826 MPQSEDUZOHGAHD-FDCRZUCXSA-N 376.412 2.999 0 40 GFAB O=C(c1cn(-c2ccccc2Cl)nn1)N1CCN(Cc2ccccc2)CC1 21358718 UEGXOEVHSKCYQD-UHFFFAOYSA-N 381.867 2.879 0 40 GFAB O=C(CN1CCC(O)(c2cccc(F)c2)CC1)NCCc1c[nH]c2ccccc12 4967764 ORDLEVWTUCIPAA-UHFFFAOYSA-N 395.478 2.949 0 40 GFAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 6200417 DPMYTFNRJIZIJI-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB C[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1F 7626686 RHJGVSDOSUKZFO-LBPRGKRZSA-N 379.407 2.787 0 40 GFAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 21524122 RAKLTXJDVZMEDF-OAHLLOKOSA-N 386.429 2.764 0 40 GFAB COc1cc2nc(CN3CC=C(c4ccc(O)cc4)CC3)[nH]c(=O)c2cc1OC 32851109 PJVNBZGQIBPGRS-UHFFFAOYSA-N 393.443 2.935 0 40 GFAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)NC1CCCC1 57473216 HZMAQCMBYTXCEE-UHFFFAOYSA-N 397.500 2.526 0 40 GFAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1Cl 9743127 OZSZKJOUIVFIJD-JTQLQIEISA-N 389.774 2.639 0 40 GFAB CN(C)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 12196304 CDAKVZMQOGDELO-INIZCTEOSA-N 376.840 2.867 0 40 GFAB O=C(CN1CCN(C(=O)/C=C/c2ccccc2F)CC1)Nc1ccc(F)cc1 57463233 UHUBWZNDQHOGOM-BJMVGYQFSA-N 385.414 2.761 0 40 GFAB COc1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)n2N)cc1OC 23223328 NDKDJSDZCMPJLJ-SECBINFHSA-N 375.281 2.962 0 40 GFAB CS(=O)(=O)N1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 23881233 SSWLLQDKXWOABG-HXUWFJFHSA-N 397.500 2.669 0 40 GFAB CCc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245050 DIKIOKUBQLBSEU-UHFFFAOYSA-N 379.457 2.640 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 55638974 PFPZTMGUPWKZGR-UHFFFAOYSA-N 378.469 2.777 0 40 GFAB O=C(CCC1CCCC1)NCc1cccc(NC(=O)CCN2CCOCC2)c1 55772650 JWNNSBIBCQVICM-UHFFFAOYSA-N 387.524 2.934 0 40 GFAB COC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 104190049 SQAJLAVFEKAKKH-INDMIFKZSA-N 392.386 2.514 0 40 GFAB CCNC(=O)c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 57171468 VIOOAFBRKNVBBZ-UHFFFAOYSA-N 379.504 2.965 0 40 GFAB Cc1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)c(Br)c1 24487778 QITGVVFBBSOMEI-UHFFFAOYSA-N 377.238 2.803 0 40 GFAB CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCC)C(=O)O)ccc12 2148341 XRMYOOPCIFVNGG-HNNXBMFYSA-N 375.421 2.802 0 40 GFAB biogenic C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O 3294447 NKMCGCYKMBOLCS-VOJFVSQTSA-N 381.379 2.727 0 40 GFAB COC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3[nH]cnn23)c1 8608085 BFTLIXUHMGOFSO-UHFFFAOYSA-N 379.376 2.969 0 40 GFAB COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccoc3)CC2)C1 306142385 WYDPRFZCBGFLAJ-UHFFFAOYSA-N 397.435 2.704 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Cl)cc1Cl 3332561 KULUOENVBSXYSH-HUTHGQBESA-N 384.263 2.891 0 40 GFAB NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12776092 WPOQWGDAHPEDEW-HXUWFJFHSA-N 380.444 2.579 0 40 GFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 48333624 YVICTHXNCOAIDP-NEWSRXKRSA-N 394.537 2.551 0 40 GFAB NC(=O)COc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 12928915 DISZYWDTOAZJQA-UHFFFAOYSA-N 375.428 2.962 0 40 GFAB CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H](CCC)NC(N)=O)cc2s1 64309266 ZTEXFLLICHAQKO-GFCCVEGCSA-N 377.470 2.810 0 40 GFAB C[C@@H]1CCc2c(sc3ncn(Cc4cc(=O)n5ccsc5n4)c(=O)c23)C1 6110261 AILFHBYARPSGIA-SNVBAGLBSA-N 384.486 2.701 0 40 GFAB COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 18115161 MJNTZINAKTYUAP-IBGZPJMESA-N 399.878 2.803 0 40 GFAB O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)NC1CCCC1 14085002 XVTNKWFTMLIUBP-MRXNPFEDSA-N 393.557 2.598 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 110517887 YZMGYHPRUNNTMR-LPHOPBHVSA-N 390.549 2.786 0 40 GFAB COC(=O)c1nn(CN2CC=C(c3ccccc3)CC2)c(=O)c2ccccc12 8726149 WSHLKPRVDRNSKQ-UHFFFAOYSA-N 375.428 2.930 0 40 GFAB COc1cc(CC(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc(OC)c1OC 6522875 RKEFWAYTWZNHTM-ZIAGYGMSSA-N 379.453 2.588 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(NC(=O)C4CC4)cc3)cnc12 14361786 LCQCKOYXPOSTBA-UHFFFAOYSA-N 376.416 2.692 0 40 GFAB CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)Cc1ccccc1 5591662 CECJVLLSKWIAQB-UHFFFAOYSA-N 389.521 2.706 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccn2)c(OC)c1 4739360 BDDZNTRPUPEMDT-SFHVURJKSA-N 392.419 2.618 0 40 GFAB Nn1c(SCC(=O)NCCCc2ccccc2)nnc1-c1cccc(F)c1 5676337 QPNWXIKWBNEUNE-UHFFFAOYSA-N 385.468 2.639 0 40 GFAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@@H](C(F)(F)F)C1 14924242 RGAVDKGZPNDWIC-VHSXEESVSA-N 389.443 2.937 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 6810364 FPXNZBJBKISHGW-QGZVFWFLSA-N 391.489 2.745 0 40 GFAB COc1cccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 306139384 SVWCZTZYFSVKMK-VXKWHMMOSA-N 388.471 2.973 0 40 GFAB COc1cc(NC(=O)c2cc(OC)c3c(c2OC)OCO3)cc(OC)c1OC 15085888 LCKWNZLMISCICV-UHFFFAOYSA-N 391.376 2.711 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cccc2nsnc12 19079807 NZHKNMWUWMTTHD-UHFFFAOYSA-N 399.501 2.757 0 40 GFAB CCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)NCCC)nnc12 7207630 RJZAGZOPZJIWLL-ZDUSSCGKSA-N 387.509 2.851 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 7736781 VZNPVRHESORYDP-NRFANRHFSA-N 394.471 2.843 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 9741967 HMNCMSDRHMJENQ-KRWDZBQOSA-N 389.477 2.572 0 40 GFAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3cccs3)c2)n1 71768567 CUDRMQOUKYFGMM-UHFFFAOYSA-N 380.433 2.871 0 40 GFAB O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)[C@@H]1CCOC1 72275196 YBUVUHWRCYGEQE-SNVBAGLBSA-N 383.189 2.656 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F 72401710 OPFZGMJQJWKGTC-AWEZNQCLSA-N 388.418 2.824 0 40 GFAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N[C@H]1CCCCNC1=O 95365115 DHDKCMAFOHAMAW-MSOLQXFVSA-N 375.469 2.563 0 40 GFAB Cc1cccc(N2CCN(C(=O)N[C@H](C)c3nnc4ccccn34)CC2)c1C 26276644 MKUINCSEUJPNOD-QGZVFWFLSA-N 378.480 2.939 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1nnsc1Cl)c1ccco1 21666758 XCKLDNUDJXVKII-LBPRGKRZSA-N 391.836 2.869 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 408596069 RDAXRJWBQOGWNM-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36614838 VIDAEXCUIJJNEX-UHFFFAOYSA-N 375.445 2.631 0 40 GFAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1O 72400961 AOHLSYDUDUNRPE-UHFFFAOYSA-N 388.855 2.516 0 40 GFAB CC1(C)CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC[S@]1=O 562662438 SZPOVFGTVOIIOT-HHHXNRCGSA-N 393.484 2.966 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2sccc2n1Cc1ccccc1F 44891119 SJDICOFUICQDLF-CYBMUJFWSA-N 392.477 2.807 0 40 GFAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnc1nc(N3CCCC3)[nH]c(=O)c21 40372923 DAQJXAKRJNSEAY-LBPRGKRZSA-N 376.416 2.537 0 40 GFAB CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)ccc1Cl 574046530 MGSIMWLIRUUYTA-JSGCOSHPSA-N 384.885 2.776 0 40 GFAB Cc1nnc2c(N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)nccn12 225800321 VEAYRQHONPJBCI-UHFFFAOYSA-N 391.262 2.702 0 40 GFAB CCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 44640505 JLZXFBMMMVSQRK-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 222966716 HMPWPPIZJQCLBY-FQEVSTJZSA-N 384.476 2.936 0 40 GFAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 46017430 RLBRTOFOCGAVGX-UHFFFAOYSA-N 391.474 2.842 0 40 GFAB O=C(Nc1cc2c(cc1Br)OCCO2)[C@H]1CCCN1C(=O)C1CC1 48374815 KZGSUVVQZUTMPZ-CYBMUJFWSA-N 395.253 2.560 0 40 GFAB COc1cccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 225834415 OVZRVCMWTULKNH-UHFFFAOYSA-N 379.507 2.578 0 40 GFAB COc1ccc(Cl)cc1NC(=O)NCc1cc(C)nc(N2CCOCC2)n1 224228188 KKMLZQRCRXHZRO-UHFFFAOYSA-N 391.859 2.605 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCC(C)CC2)n1 225900278 XVBKTQJCIPOSCI-UHFFFAOYSA-N 392.573 2.636 0 40 GFAB CCc1nc2cc(C(=O)N3C[C@@H](C(=O)OC)Oc4ccccc43)ccc2n1C 225895053 IZXYKHUSTIXVMV-SFHVURJKSA-N 379.416 2.717 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N1CCc2nc3ccccn3c(=O)c2C1 225778821 PKMVTDDEFRVZGC-UHFFFAOYSA-N 383.835 2.620 0 40 GFAB CC(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)/C=C(\C)c2ccncc2)c1 584907967 YTGFNXBNUMHTFG-PKNBQFBNSA-N 378.837 2.846 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)c1C 252539491 OCQWQIDGHAIXED-WKILWMFISA-N 378.498 2.583 0 40 GFAB CCN1CCN(C(=O)c2ccc(NC(=O)c3cccc4nc(O)oc34)cc2)CC1 676874900 SVVRZGZXRPCWIT-UHFFFAOYSA-N 394.431 2.563 0 40 GFAB CC(C)(CNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C1=CCCCC1 683993350 FYMSNUKOTZQXHW-QGZVFWFLSA-N 383.558 2.723 0 40 GFAB Cc1nc(CN2CCCN(C(=O)Cc3ccc(-n4ccnc4)cc3)CC2)oc1C 630938882 VJOCAJWRNIPRPU-UHFFFAOYSA-N 393.491 2.754 0 40 GFAB O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CCO[C@H](C(F)F)CC1 634164020 IMMXLLSNAIYMJQ-LBPRGKRZSA-N 393.312 2.800 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H](C(=O)O)C1 1615852527 OKXKHRRHRTZBJM-OAHLLOKOSA-N 378.425 2.577 0 40 GFAB CC(C)(C)n1cnc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)n1 649249071 OQCQCTAKBOSCNR-UONOGXRCSA-N 376.844 2.627 0 40 GFAB CC(C)(C)NS(=O)(=O)Cc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 656254606 HZTWBTDNXMMJJF-IBGZPJMESA-N 395.569 2.570 0 40 GFAB CCOc1ccccc1CN1CCN(C(=O)c2ccc(C(=O)O)nc2)[C@H](C)C1 669453246 AMVYZFIOPDYNRC-OAHLLOKOSA-N 383.448 2.525 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96025548 LWIPXFPSMBMJFU-MRXNPFEDSA-N 397.493 2.761 0 40 GFAB Cn1cc([C@@H]2OCC[C@H]2CNCc2cc(Br)c3c(c2)OCO3)cn1 585087274 HIZBMENPQFJMFL-BLLLJJGKSA-N 394.269 2.779 0 40 GFAB CCOCCOc1ccc(CN(C)C[C@@H](O)COc2cccc(OC)c2)cc1 585269819 LHLUXNDYZOCXJO-LJQANCHMSA-N 389.492 2.982 0 40 GFAB C[C@@H](c1ccccn1)N(CCOc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 89909898 MLBMTEAQMATJIC-INIZCTEOSA-N 389.521 2.936 0 40 GFAB C[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)n1ccc(C(F)(F)F)n1 631306945 LEEFQTQEAIVMTK-CYBMUJFWSA-N 381.402 2.639 0 40 GFAB COc1ccc(CN(Cc2cncn2C)C[C@H]2CCCO2)c(OC)c1OC 12116775 RMXVGOHGQMGXDG-QGZVFWFLSA-N 375.469 2.627 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1cccc(Cl)c1 12146294 XLQDYZIIQOAORU-SFHVURJKSA-N 397.862 2.608 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12182413 SNIKINPWQAKMLL-CJNGLKHVSA-N 379.464 2.617 0 40 GFAB Cn1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2nccnc21 12365103 PVOHOWXNDMNTOR-GFCCVEGCSA-N 391.884 2.585 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)NC3CCCC3)CC2=O)c1 14202252 NTFSXPINGHGWEL-KGLIPLIRSA-N 390.505 2.752 0 40 GFAB O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2ncc[nH]2)C1 15674175 KALTVGVBROTQRN-OLZOCXBDSA-N 379.342 2.786 0 40 GFAB biogenic,in-vitro CCOc1ccc(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 18094622 WIFGICHQUNQPQT-UHFFFAOYSA-N 384.432 2.957 0 40 GFAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)c1 18166994 FXPLMNJEUBHHPG-MRXNPFEDSA-N 377.404 2.784 0 40 GFAB Cc1ccc(-c2nnc([C@@H]3CCCN3S(=O)(=O)CCc3ccncc3)o2)cn1 19215121 BGTLTLJCGPZHRQ-KRWDZBQOSA-N 399.476 2.544 0 40 GFAB COc1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)c1 19285388 WIYVCANNVPEAJD-LJQANCHMSA-N 381.407 2.940 0 40 GFAB COc1cc(CC[C@@H](O)CC(=O)CC[C@@H]2CC[C@@H](O)[C@@H](OC)C2)ccc1O 169748436 XMNDMZNXKHJPKM-HQEOYTPBSA-N 380.481 2.610 0 40 GFAB CCOc1ccc(/C=C/C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 7255416 RQYVOVPWHKXPQT-UXBLZVDNSA-N 383.400 2.687 0 40 GFAB O=C(Cn1cccn1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573948 SMCWETSLMQUMKZ-UHFFFAOYSA-N 394.431 2.508 0 40 GFAB CCN(CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257263474 LQBIJHJVOYWWHS-YAPKBZITSA-N 398.551 2.823 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N(C)c1ccccc1 3419769 XKTSUWMCUCHQCR-CQSZACIVSA-N 391.427 2.551 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ncnc4c3CCCC4)sc2c1 1888890788 DMGJJKVLAHBZDL-UHFFFAOYSA-N 388.474 2.621 0 40 GFAB O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccccc1OC[C@@H]1CCCO1 31533707 FQJGBTIMZVNOEA-INIZCTEOSA-N 395.415 2.553 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037988827 KJJJFSSLFOTMDJ-NRFANRHFSA-N 383.423 2.567 0 40 GFAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1 12440067 OOQFRZSGFPRKHC-UHFFFAOYSA-N 398.444 2.582 0 40 GFAB Cc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)NCc1ccncc1 23138625 MTXMHLBSFQQKAC-UHFFFAOYSA-N 398.463 2.764 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)no1 32920713 ZSILTQRASXBQQA-UHFFFAOYSA-N 397.475 2.909 0 40 GFAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc3c(c1)OCCO3)n2C 100823949 CJCXLRTXVSWTKE-VXPUYCOJSA-N 386.429 2.769 0 40 GFAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1C[C@H]1CCCO1)Nc1ccc(F)cc1 101113800 JELXQSIWVNTGKL-ZLNYZARCSA-N 382.395 2.781 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N(CCc1cccs1)C1CCOCC1 206676547 DRCQCPDWDIIWAM-UHFFFAOYSA-N 386.473 2.906 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)c1OC 618255784 ZCQWRRFRJCYRIZ-CQSZACIVSA-N 379.416 2.941 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 575613865 XECVLSCIOGJDGR-FQEVSTJZSA-N 393.480 2.727 0 40 GFAB CS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 10386643 CEAPPRCWFUEOOT-UHFFFAOYSA-N 375.519 2.609 0 40 GFAB CCCCOc1ccc(OC)cc1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 40090731 HLJUPVJOVSCIKK-INIZCTEOSA-N 384.498 2.627 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O 40478628 SRXNTSWCPWHNLH-UHFFFAOYSA-N 387.386 2.736 0 40 GFAB C[C@H](CNC(=S)NCCc1ccccc1)N1CCN(c2ccccc2)CC1 36847472 HBIGYMNTUQJZHO-LJQANCHMSA-N 382.577 2.904 0 40 GFAB O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 8231940 NCRQXOLVODLYPZ-QGZVFWFLSA-N 380.510 2.597 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1ncc(Cc2ccccc2Cl)s1 11637713 AWVSAQAPDDSCKE-UHFFFAOYSA-N 377.853 2.865 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)NC3CCCCC3)cc2c1 880462 WYDMJLBFHXJKDI-UHFFFAOYSA-N 387.480 2.763 0 40 GFAB COc1cc(OC)cc(-n2nnnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)c1 932289 UWFCIFIOEDDEKQ-CHWSQXEVSA-N 391.497 2.561 0 40 GFAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C)c1 1361312 CGTMUTZZFSHQLN-UHFFFAOYSA-N 397.460 2.797 0 40 GFAB CC[C@@H](C)n1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O 20757989 BOZXGOZPEVRBCU-KZULUSFZSA-N 382.464 2.662 0 40 GFAB biogenic O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32492718 NABQBSZQFDVIPC-WMZOPIPTSA-N 398.434 2.634 0 40 GFAB Cc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)c(C)c1 4848199 KNUYVNCKNBACCB-UHFFFAOYSA-N 396.491 2.975 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 6238486 MMTNVALNVOAAAC-UHFFFAOYSA-N 386.502 2.575 0 40 GFAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)OCCO2 32744487 TXPYHNNZCIQSJC-CQSZACIVSA-N 384.432 2.780 0 40 GFAB CN(C)C(=O)c1cccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[nH]2)c1 69300411 HTPTVPLWWBQVGL-UHFFFAOYSA-N 390.509 2.603 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2c1 102484454 XSFURZOKOSZRHN-STQMWFEESA-N 387.461 2.809 0 40 GFAB CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 8732543 IRXSPJQQPVJPPC-HNNXBMFYSA-N 382.416 2.704 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2oc3c(F)cccc3c2C)NC(=O)N[C@H]1C 8328162 BJKUDMVWXOAABX-JTQLQIEISA-N 390.367 2.556 0 40 GFAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4cc(OC)cc(OC)c4)[C@@H]3C2=O)cc1 101260526 JMQMQHGWAQCANR-ROUUACIJSA-N 380.404 2.764 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100033310 MQNMSQFOYXDPNX-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1 22608774 KDJBJWOMVSRICY-QGZVFWFLSA-N 380.897 2.519 0 40 GFAB CN(C)c1nc(N(C)C)n(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1 3104978 SZNHJZPDGMEPBI-UHFFFAOYSA-N 398.703 2.607 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(F)cc2)c1 23235484 YWQSPVKUPZLOGL-CYBMUJFWSA-N 392.452 2.574 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCCC2=O)cc1 23994688 LUIXMXAAQCHLCN-UHFFFAOYSA-N 399.535 2.574 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cn1 42899826 CTMZIUIAFMEPLG-HJGBXLFDSA-N 397.519 2.914 0 40 GFAB C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCC[C@H]1C 105573926 BUMDPNBFATUOAP-SUNKGSAMSA-N 381.466 2.786 0 40 GFAB NC(=O)Cc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 24492749 WXOYIFKIKMSLPT-UHFFFAOYSA-N 393.399 2.577 0 40 GFAB C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55242453 RNPQHZFZUKWTQP-KBXCAEBGSA-N 380.510 2.835 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C)CC1 25784817 OIWLRMYGASBDSY-CYBMUJFWSA-N 393.944 2.780 0 40 GFAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 113966890 YQJPARTZGVQZOT-CQSZACIVSA-N 394.468 2.695 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccccc3OC)CC2)cc1 58169362 COLRCXGTIIKSTA-KRWDZBQOSA-N 383.492 2.531 0 40 GFAB CCN(CC)C(=O)CCCN1C(=O)[C@H](n2cnnn2)[C@@H]1c1ccc(C(C)C)cc1 58154990 NKOFFZUYMFRAPE-VQTJNVASSA-N 398.511 2.570 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)NCCC(=O)N(C)Cc1ccccc1 58245336 NFGNXWMUNWOTLX-UHFFFAOYSA-N 392.459 2.659 0 40 GFAB COc1ccccc1S(=O)(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 58201817 XHKHRWLTCKGPMX-LLVKDONJSA-N 377.397 2.924 0 40 GFAB Cc1nc(-c2ccccn2)sc1C(=O)O[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 28364380 RWTGVJGSQURKGD-YRGRVCCFSA-N 389.477 2.695 0 40 GFAB CCCCN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 12758464 HWNCXSZGWZEIKL-HNNXBMFYSA-N 380.539 2.854 0 40 GFAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 2484763 ARCVFFDWLVNARX-MRXNPFEDSA-N 378.425 2.666 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12771608 UBTPQKPAOMHSPU-JTQLQIEISA-N 380.429 2.659 0 40 GFAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H]2Cc3ccccc3O2)cs1 48263939 UIHIEPJGMRZFRA-HNNXBMFYSA-N 397.456 2.959 0 40 GFAB CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3452888 DHNLGFACVVOGKJ-UHFFFAOYSA-N 377.491 2.840 0 40 GFAB Cc1ccc2nc3c(c(C(=O)OCC(=O)NC[C@@H]4CCCO4)c2c1)CCCC3 3417216 VVWBNLXOEUQIOL-HNNXBMFYSA-N 382.460 2.874 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1C 3476962 VURFWGCDZFCILS-UHFFFAOYSA-N 396.553 2.635 0 40 GFAB CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cnc21 12930424 QUDFEJVQQFZPLH-UHFFFAOYSA-N 387.465 2.515 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 17856263 DAVCJQUUXBEGMJ-OAHLLOKOSA-N 383.423 2.550 0 40 GFAB O=C(O)Cc1csc(NC(=O)c2ccccc2I)n1 13405848 ZUHHMXMOGIHPHD-UHFFFAOYSA-N 388.186 2.627 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c(C)c1 17960864 CXKUJYCRULCYHI-INIZCTEOSA-N 397.450 2.859 0 40 GFAB COc1ccc(-c2nnn(CC(=O)c3cc(C)n(C4CC4)c3C)n2)cc1OC 6006683 WUBXKXBCMONYEM-UHFFFAOYSA-N 381.436 2.993 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)Cc2ccccc2)nc1C 5007796 IHYGAXIQOKFBRV-UHFFFAOYSA-N 396.490 2.572 0 40 GFAB COc1cc(OC)c(OC)cc1/C=C1\CC(=O)N(c2ccc3c(c2)OCO3)C1=O 70666647 MEBBOJRDJPBTJY-AWNIVKPZSA-N 397.383 2.788 0 40 GFAB biogenic CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5163497 NGALZHVYTLPWRS-RDJZCZTQSA-N 391.489 2.825 0 40 GFAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 409148531 QIQKJAMEHKXKHW-MRXNPFEDSA-N 390.505 2.877 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)Cn1nc(-c2ccc(F)cc2)oc1=O 8705542 USYLWQDSIQTRRI-UHFFFAOYSA-N 379.395 2.918 0 40 GFAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCC(C)C 408709488 BLLOEPFDSWIZFE-UHFFFAOYSA-N 397.475 2.726 0 40 GFAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 5689393 ANPKVHZZIVZIEO-GFCCVEGCSA-N 385.420 2.864 0 40 GFAB CCOc1ccc(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)cc1 22381273 MHGITGJRVHAXBR-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc(Br)o2)cc1F 7074363 CRLAMNMOPLKIIL-SECBINFHSA-N 399.216 2.797 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)N(C)Cc3ccccc3F)cc2C1=O 8026505 QHMIBPLTFSIXRS-UHFFFAOYSA-N 384.407 2.730 0 40 GFAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc2ccccc12 19799114 LRHYTULRPVAFJW-UHFFFAOYSA-N 397.504 2.531 0 40 GFAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCC(O)CC3)c(O)n2n1 22855177 MXRRWTQBFKPCIR-OAHLLOKOSA-N 376.457 2.744 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cccc(F)c3)C2=O)cc1 9419755 BHMSIXFHQOAWCZ-KRWDZBQOSA-N 385.395 2.674 0 40 GFAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 29646637 MIJSZFJVKGCDTO-UHFFFAOYSA-N 392.843 2.623 0 40 GFAB CN(Cc1nccn1C(F)F)c1ccc(S(N)(=O)=O)cc1C(F)(F)F 95401992 XXAVONCDUARTDY-UHFFFAOYSA-N 384.330 2.581 0 40 GFAB CC(=O)N1CCc2cc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)ccc21 24740556 HVJXKIZGDIUGCZ-UHFFFAOYSA-N 379.460 2.923 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C1 95995465 GFUFTZOZLZRNAJ-HUUCEWRRSA-N 386.496 2.669 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(OC)cc2)c1 27944887 GMAYAUKVMFKGNA-UHFFFAOYSA-N 383.853 2.956 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1C 408555751 GBFINGDPHOVLFP-HNNXBMFYSA-N 382.526 2.709 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)nn1-c1cccc(F)c1 548670409 OIIVFYSBSNRINS-PKOBYXMFSA-N 398.442 3.095 0 40 GFAB Cc1ncc(S(=O)(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cc1C(=O)O 518370009 KKWRSWQVOPSUOE-LLVKDONJSA-N 382.869 2.993 0 40 GFAB O=C(NCCNc1nc2ccccc2s1)c1ccc(Cn2cncn2)cc1 32828079 PDNIKXKSTXAOSP-UHFFFAOYSA-N 378.461 2.778 0 40 GFAB CCc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828899 UUSJXHZUJPOHFF-UHFFFAOYSA-N 396.882 2.884 0 40 GFAB CCCCNC(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 33325493 IJPFQVXCEDEQMX-MRXNPFEDSA-N 375.494 2.748 0 40 GFAB Cn1cc(C(=O)NCCCCCc2nnc3ccccn23)c2ccccc2c1=O 72404973 NZFTXMJNWCPVKG-UHFFFAOYSA-N 389.459 2.724 0 40 GFAB Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCc2ccnc(O)c2C1 562340105 QFCWOGXOUHWGBL-OAHLLOKOSA-N 377.448 3.492 0 40 GFAB CC(=O)Nc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 47464331 OSFFFFRJUUPMJS-NSHDSACASA-N 395.868 2.604 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 224039777 FLWQSIJPAPRSHB-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224843626 RKHJFXOBSQHLLQ-UHFFFAOYSA-N 391.445 2.850 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1nnc(SC(C)C)s1 225404499 RYFSGVZEXABENW-UHFFFAOYSA-N 386.524 2.971 0 40 GFAB CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224819303 BYCDKSYDRNEAPV-UHFFFAOYSA-N 391.445 2.525 0 40 GFAB COc1cccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1OC 224355200 QLASWLDHIDLAOS-UHFFFAOYSA-N 385.468 2.802 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC(C)C 225667848 VQKAFHGUJWQXJY-UHFFFAOYSA-N 382.526 2.575 0 40 GFAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225187147 ARVJRSHZPZXGAC-AWEZNQCLSA-N 392.477 2.635 0 40 GFAB Cc1ccc(C(=O)NCc2cccc(F)c2)cc1N1CCCCS1(=O)=O 224514934 NROULLPPDUBGON-UHFFFAOYSA-N 376.453 2.994 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)C[C@H](Nc2ccccn2)CO3)c1 96221320 GVRBXRHGGNUXCG-KRWDZBQOSA-N 387.505 2.814 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242547845 KWDDTXHGUJXPFX-NLWGTHIKSA-N 391.464 2.582 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 243250250 KPFRETZBGACXKQ-UHFFFAOYSA-N 380.441 2.543 0 40 GFAB NC(=O)C1CCC(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 539394360 NDFPGZAXSJGSLG-UHFFFAOYSA-N 378.322 2.663 0 40 GFAB CC(C)C[C@H](NC(=O)c1ncc2c(F)cccn12)C(=O)Nc1nccs1 528949594 UNAJSEWUPULQBS-LBPRGKRZSA-N 375.429 2.713 0 40 GFAB CN(Cc1ccc(OCCOCCO)cc1)C[C@@H](O)Cn1ccc2ccccc21 257294129 QSQQVXPOCYTQFO-OAQYLSRUSA-N 398.503 2.522 0 40 GFAB C[C@@H]1Cc2ccccc2N(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 591279290 VMRWGVYLSQTPCA-OAHLLOKOSA-N 377.444 2.977 0 40 GFAB O=S(=O)(NCC[C@@H](O)c1ccccc1)c1ccc(OC(F)(F)F)cc1 90561873 PTJRXFKPMOSQFP-OAHLLOKOSA-N 375.368 2.987 0 40 GFAB Cc1sc(NC(=O)[C@H]2CC[C@@H](C(=O)O)NC2)nc1-c1c(F)cc(F)cc1F 657210246 CMRLLPINDFPCNJ-UFBFGSQYSA-N 399.394 2.927 0 40 GFAB C[C@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)[C@H]1Oc2ccccc2[C@@H]1C 660821283 YSGXWZRAYLAKQK-YRVVQQKDSA-N 379.460 2.806 0 40 GFAB O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CCC[C@](O)(Cn2ccnn2)C1 671471825 LLDXVZXUSXZKGF-QGZVFWFLSA-N 394.262 2.734 0 40 GFAB CN(C(=O)c1cc(C(F)(F)F)cnc1O)[C@H]1CCN(c2ccccc2)C1=O 635547126 YGVZBIRTRHKIJE-AWEZNQCLSA-N 379.338 2.684 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2cn3ccccc3n2)CC1 390825871 KQBQXYWMDZHCGS-UHFFFAOYSA-N 398.488 2.611 0 40 GFAB CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccnc2ccnn12 585123526 DHSXRPICFOUPHV-UHFFFAOYSA-N 379.342 2.731 0 40 GFAB CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 51282265 ZJVGSVDMSWWPCZ-SFHVURJKSA-N 399.472 2.709 0 40 GFAB CCOc1ccccc1CN(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 54585938 YKOKUXYTFRWCOP-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)ON1Cc1ccccc1 1549162057 MQQKGEBSLDWLRG-UHFFFAOYSA-N 386.473 2.574 0 40 GFAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 11508551 JGJAWIKSDGUKOW-LJQANCHMSA-N 398.507 2.603 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 12365158 KWPAFDAVXBBACX-UONOGXRCSA-N 383.427 2.676 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)NCCc2nc3ccccc3n2C)cc1C 19214279 NKSAHHDWEWRFES-UHFFFAOYSA-N 399.516 2.713 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)OCCCO2 19599708 QREZBQDUNBQNPI-UHFFFAOYSA-N 394.349 2.976 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)cc1NC(C)=O 19684499 JBBGFQNDUWUKNN-LBPRGKRZSA-N 378.450 2.702 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cn4cncn4)c3)CC2=O)c(C)c1 19714973 SLPICZNCWRQDJI-SFHVURJKSA-N 389.459 2.935 0 40 GFAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)C)c2)n1 19716902 SHUUHKJVIQNNOS-HNNXBMFYSA-N 378.498 2.695 0 40 GFAB COCCc1ncc(CN2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cn1 19752580 PTYCEYQBBHCFIT-GOSISDBHSA-N 396.539 2.526 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 12158018 YAVZSTBCWLFCMR-MAUKXSAKSA-N 375.469 2.941 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)CCn3nc(C)nc3C)C1)O2 13227479 GTXMGLXEXYMFHA-UTKZUKDTSA-N 396.491 2.866 0 40 GFAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)COc3ccccc3)C2)nc1C 19754147 GXSQFPYIRUJUJC-QGZVFWFLSA-N 396.491 2.662 0 40 GFAB CCCn1c(SCC(=O)N2CCN(C(C)=O)CC2)nc2cc(Cl)ccc21 11235700 XKMGIQXKCXBFOO-UHFFFAOYSA-N 394.928 2.883 0 40 GFAB Cc1ncc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c(C)n1 2037985690 SDNNWVFNDOLPLV-JOCHJYFZSA-N 394.475 2.522 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NCc1ccccc1Cl 6918579 CZLAADMBDAMJMD-UHFFFAOYSA-N 395.893 2.860 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2nsc3ccccc23)CC1 12360256 HTLBMJCXCKALQX-UHFFFAOYSA-N 377.466 2.946 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775966515 IXDVRVGJJHFUFG-CQSZACIVSA-N 388.420 2.613 0 40 GFAB O=C(c1ccc(Br)cc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775967134 GWNOHBSXOXTFHJ-UHFFFAOYSA-N 388.265 2.655 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccc(Cl)cc4)[C@@H]3C2=O)c1 101260817 JPSSDIFFXCRXLR-HOTGVXAUSA-N 386.795 2.855 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1 38597450 HNLICSJSMWRZGD-IBGZPJMESA-N 395.438 2.502 0 40 GFAB CCc1ccccc1NC(=O)Cn1cnc2nc(N3CCCC3)sc2c1=O 45970515 LDEFCPVYXZXPBC-UHFFFAOYSA-N 383.477 2.654 0 40 GFAB CSc1nc(C)c(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)n1 9723622 JAGNBDNGHPKHCZ-UHFFFAOYSA-N 379.507 2.790 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)NCCOc2ccc(C)cc2)CC1=O 25679107 JLPRAFQSIJWTFX-KRWDZBQOSA-N 382.460 2.942 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccnc(-n2cccn2)c1 40087927 QONJHELJLOCJPQ-IBGZPJMESA-N 392.463 2.730 0 40 GFAB Cn1cc(-c2nc(C(=O)N[C@@H](c3ccccc3)c3nccn3C)cs2)cn1 40144076 CKTBOVUSEHEJDX-INIZCTEOSA-N 378.461 2.797 0 40 GFAB CC(C)n1ncc2cc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cnc21 31496670 SCVXOLBSKFJIKW-UHFFFAOYSA-N 388.431 2.870 0 40 GFAB Cc1nc2c(cc1C(=O)N[C@@H](C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C 45985720 VOYNEWBMODUKJN-NSHDSACASA-N 377.448 2.961 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)NCc2ccccc2)cc1 1379692 VAZMCBDCKHQNNM-LJQANCHMSA-N 380.448 2.958 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc2c(c1)OCCO2 51872482 CDBLALFQLJAVEJ-JOCHJYFZSA-N 393.443 2.681 0 40 GFAB CC(C)(C)OC(=O)COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 2652211 VFYYXOKCBYPQHX-UHFFFAOYSA-N 395.411 2.981 0 40 GFAB COCCCNC(=O)CSc1nnc(CCc2ccccc2)n1CC(C)C 6327408 NNJXGTITNYSPOS-UHFFFAOYSA-N 390.553 2.964 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1 32796282 MEIAZRXXTGWDQD-GOSISDBHSA-N 391.471 2.869 0 40 GFAB O=C1CCC(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)=NN1 8518564 RAMOGOCUEKIZIV-HXUWFJFHSA-N 384.363 2.743 0 40 GFAB c1ccc(CN2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 57709721 IQRFRFCVRPZCRZ-UHFFFAOYSA-N 385.475 2.592 0 40 GFAB CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(C)=O)N1c3c(ccc4cccnc34)C=C[C@H]21 103461280 FMMIIWJTGVIPNO-JHSZJYBNSA-N 389.455 2.808 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)c2)n1 60774375 YNXQYKPVFMJEQD-DJJJIMSYSA-N 377.400 2.912 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Br)cc1 655913 HTXQWYRAJLOPJS-UHFFFAOYSA-N 389.315 2.618 0 40 GFAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccs2)C[C@@H](C)O1 23078011 VVNGEJPYZFRLCB-BETUJISGSA-N 380.491 2.798 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc3ccccc3n2)C1=O 12557992 DBKINKIWMQYAFB-OAQYLSRUSA-N 375.384 2.931 0 40 GFAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N[C@H](C)c4ccccn4)C3)nc2)n1 107098367 NDGVBTQLLTYEOJ-PBHICJAKSA-N 392.463 2.929 0 40 GFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2C)c1 10111636 PYLWUUWRCBAHEP-UHFFFAOYSA-N 389.521 2.704 0 40 GFAB Cc1cccc(N2N=C(C(=O)NCc3nc4ccccc4n3C)CCC2=O)c1 12627935 JHXDHHXJECQPRA-UHFFFAOYSA-N 375.432 2.681 0 40 GFAB COC(=O)[C@](NNc1ccccc1C)(NC(=O)c1ccc(F)cc1)C(F)(F)F 2050373 XNAKXECUCKEXNC-QGZVFWFLSA-N 399.344 2.912 0 40 GFAB Cc1ccc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 58162589 XCFUMZFDMPGTHI-UHFFFAOYSA-N 377.857 2.640 0 40 GFAB COCC[C@H](C)NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 58195544 YWAZRYHGIWCXBP-HNNXBMFYSA-N 386.448 2.868 0 40 GFAB O=C(Nc1ccc2cc[nH]c2c1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44893777 OLMQCWDUDZBLIO-FQEVSTJZSA-N 392.459 2.760 0 40 GFAB CN1CCN([C@H](CNC(=O)COc2ccccc2)c2ccc(Cl)cc2)CC1 27662223 MTJWZBZTVPVYFX-HXUWFJFHSA-N 387.911 2.824 0 40 GFAB CCCCSc1nnc(NC(=O)CCC(=O)N2C[C@H](C)O[C@H](C)C2)s1 27985491 SEROHLPLXXQBPF-TXEJJXNPSA-N 386.543 2.785 0 40 GFAB COc1ccc(-c2n[nH]c(S[C@@H]3CC(=O)N(c4ccccc4)C3=O)n2)cc1 2233847 YDTXRDNEJDFPAI-OAHLLOKOSA-N 380.429 2.905 0 40 GFAB CC(C)c1nnc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)s1 58417499 LWZJOUQFIPCENA-STQMWFEESA-N 394.497 2.582 0 40 GFAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cn2cncn2)cc1 12761099 BYFFDBOYLOHGQS-OAQYLSRUSA-N 375.476 2.893 0 40 GFAB CN(Cn1nc(Nc2cccc(F)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 12772251 WXYAPWIXXKLNFS-LBPRGKRZSA-N 388.515 2.633 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(OCc2ccccn2)c1 48252264 CHZKNOBUWIDKPY-HNNXBMFYSA-N 379.416 2.688 0 40 GFAB CCOC(=O)c1cc2cc(NC(=O)NC[C@@H](C)N3CCOCC3)ccc2s1 48325101 OYRITXCBJIZAEX-CYBMUJFWSA-N 391.493 2.920 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3437266 MBLYKMKSMWQBDJ-NYYWCZLTSA-N 396.443 2.727 0 40 GFAB CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 3514996 NLMJRYKXKYJZGS-CYBMUJFWSA-N 397.475 2.998 0 40 GFAB CCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NCC(C)C)c(C)c2c1 3532346 PVBQSLGPWKFUTP-UHFFFAOYSA-N 376.409 2.779 0 40 GFAB COc1c2c(cc3c1[C@@H](C1=C(O)OC4(CCCC4)OC1=O)N(C)CC3)OCO2 4090469 NSDHFOMTAUWKSU-HNNXBMFYSA-N 389.404 2.566 0 40 GFAB biogenic CCOc1ccccc1C(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4295432 TXKNVDIYIMIBKN-CQSZACIVSA-N 379.503 2.976 0 40 GFAB CCOc1ccc(OCC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 5287813 ZMRJOJCDBKLYMW-UHFFFAOYSA-N 382.416 2.644 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 4512462 JMCCTHJLWZAASB-INIZCTEOSA-N 396.443 2.847 0 40 GFAB Cc1n[nH]c2ncc(C(=O)N3CCN(C(=O)CCC4CCCCC4)CC3)cc12 65862382 PYQWEYPFWLKXOY-UHFFFAOYSA-N 383.496 2.911 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2F)c1 6627745 ZGZMWIFZRGCWBP-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 409227499 YZMQVPLEIRDMCE-UHFFFAOYSA-N 398.802 2.873 0 40 GFAB O=C(COC(=O)/C=C/c1c(Cl)nc2sccn12)NCc1cccs1 8938257 SJMJSLGWUQUFAR-ONEGZZNKSA-N 381.866 2.984 0 40 GFAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCc3nc4ccccc4n3C)C2)n1 5986703 ONGLQRHKGQJSQF-INIZCTEOSA-N 378.480 2.513 0 40 GFAB CCCN1CCc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)nc(O)c2C1 67291923 GCRKJPRJXKPDAS-QGZVFWFLSA-N 398.532 2.846 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 7052017 RBIPPKBEFVGUBQ-UHFFFAOYSA-N 386.223 2.987 0 40 GFAB CNC(=O)c1cccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 67391206 BJJWAZPGKOMXBU-SFHVURJKSA-N 389.402 2.608 0 40 GFAB CCCn1nnnc1CSc1nnc(N2CCCCC2)n1-c1ccccc1 7103445 NSTLNQKKKLDKNB-UHFFFAOYSA-N 384.513 2.946 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1OC 7268534 PWTRWNSYFRISCE-UHFFFAOYSA-N 382.460 2.799 0 40 GFAB CCN1CCN([C@H](C)C(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)CC1 19372528 DLAFSYGNSLPNAV-GFCCVEGCSA-N 392.887 2.572 0 40 GFAB COc1ccc(CN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)C2CC2)cc1 7333885 JQMXLRFZJQVPNJ-UHFFFAOYSA-N 381.411 2.679 0 40 GFAB C[C@H](Sc1nnc(NCc2ccccc2)s1)c1nc(N)nc(N(C)C)n1 9057980 IDKBWGZYGNSBQP-JTQLQIEISA-N 388.526 2.837 0 40 GFAB COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc2c1CC[C@H](C)C2 15981750 RRHGPTPKUSBNTC-RWMBFGLXSA-N 380.510 2.707 0 40 GFAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2N)[nH]n1 9110055 CMASKUFWMYEKPT-UHFFFAOYSA-N 398.279 2.728 0 40 GFAB O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc2c(c1)OCCCO2 7946110 XKTYDSVPGZQLAR-UHFFFAOYSA-N 384.417 2.504 0 40 GFAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCc2c([nH]c3ccccc23)C1 96114503 KOPJSHYJLRDYRK-UHFFFAOYSA-N 376.391 2.602 0 40 GFAB biogenic CCN1C(=O)CCc2cc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)ccc21 97115784 BQSNKBQDVNSAQV-UHFFFAOYSA-N 390.443 2.794 0 40 GFAB CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1 22423788 VHRYGJPZJWQIPI-UHFFFAOYSA-N 376.482 2.756 0 40 GFAB Cc1nc2cc3c(cc2n1CC(=O)Nc1ccc2c(c1)OCCO2)OCCO3 64795059 PMFKVXOMSNCHHL-UHFFFAOYSA-N 381.388 2.526 0 40 GFAB C[C@@H](CSc1ccc(F)cc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 84640627 QCWDSCNIIWFHCC-HNAYVOBHSA-N 398.569 2.878 0 40 GFAB CN(C)CCOc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1Cl 89314370 LLZRPYAZFRRYSH-UHFFFAOYSA-N 381.885 2.597 0 40 GFAB COc1cccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113957671 SCKCACODZCHZFU-NSHDSACASA-N 384.404 2.767 0 40 GFAB O=C(CN1C(=O)N/C(=C/c2cc(Cl)ccc2O)C1=O)Nc1ccccc1F 409213256 UAAYKZAHXMDYNY-RIYZIHGNSA-N 389.770 2.716 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1nc(-c2ccccc2)no1 22256474 OIMVTGPTLJJZJW-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(C3CCCCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 63389800 MIPQCOABFLNVGW-UXHICEINSA-N 390.549 2.957 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)Oc1ccccc1 409000520 XIWKYPGQHGNTHO-OAHLLOKOSA-N 375.812 2.620 0 40 GFAB CCCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 32126948 JMQPQAKAJFZFKJ-UHFFFAOYSA-N 390.553 2.994 0 40 GFAB CN(C)S(=O)(=O)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349305 HWMVDVYDNVWJOB-UHFFFAOYSA-N 377.485 2.797 0 40 GFAB O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1n[nH]c(=O)c2ccccc12 72346546 UKVKNECWEMPALB-UHFFFAOYSA-N 377.400 2.851 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1F 225603799 XLRAOGITGUHCRZ-UHFFFAOYSA-N 398.481 2.719 0 40 GFAB CC(=O)CCc1ccc(OC[C@H](O)Cn2nc(C)c3ccccc3c2=O)cc1 42755779 AADKDYZVTJBKDT-GOSISDBHSA-N 380.444 2.666 0 40 GFAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223196847 YCCOXEBHBQMTPA-HXUWFJFHSA-N 386.467 2.674 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1cccs1 225143432 LCKKRUDICSAIGP-UHFFFAOYSA-N 385.463 2.767 0 40 GFAB C[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc(F)cc1 220095239 JVTFMWDYAFIJCT-LLVKDONJSA-N 386.395 2.747 0 40 GFAB Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)NCc1ccccn1 49550913 VKTREELLNHPFCG-UHFFFAOYSA-N 383.835 2.943 0 40 GFAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 222609017 LWIGXXWALRRPQK-PJSAGSTRSA-N 379.489 2.861 0 40 GFAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223614217 BCFNLZKCHRSUCW-RTBURBONSA-N 388.537 2.501 0 40 GFAB O=C(c1ccccc1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143019 HHUADBHTBUXXAH-NRFANRHFSA-N 382.485 2.842 0 40 GFAB COc1cc2cc(C(=O)Nc3cccc(-c4nnn(C)n4)c3)n(C)c2cc1OC 96117160 NJUIZRSUJKVJGY-UHFFFAOYSA-N 392.419 2.638 0 40 GFAB CCOC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C 22066276 KOVMAAYRBJCASY-XCZFOBESSA-N 398.503 2.551 0 40 GFAB in-vitro Cn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)Cc3cccs3)C2)ncn1 257301027 RWPVBPXLQLFCBA-OAHLLOKOSA-N 381.505 2.962 0 40 GFAB CC(C)N1CCC[C@@H](NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C1 613579955 ZYOKQWACRIWFKW-CYBMUJFWSA-N 381.402 2.889 0 40 GFAB CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CC[C@@H]3CCc4ccccc43)[C@H]2C1 641395211 PFTPVDYNFMPFBS-HNJRGHQBSA-N 379.522 2.705 0 40 GFAB CC(C)(C)n1nnc(CNC(=O)N[C@H]2CCc3c(Br)cccc32)n1 654424334 KAEKRYHUQBVPSZ-ZDUSSCGKSA-N 393.289 2.677 0 40 GFAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 96365866 XXOORJGVIFJICL-QGZVFWFLSA-N 399.921 2.718 0 40 GFAB CN(C)c1nc(CNC(=O)c2ccc(-c3cccs3)cc2)nc(N(C)C)n1 575606771 LPUOSXOCPHWXCP-UHFFFAOYSA-N 382.493 2.662 0 40 GFAB CC1(C)Oc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2O1 55593862 DCOANDCJUVTCAP-UHFFFAOYSA-N 391.449 2.559 0 40 GFAB O=C1[C@@H](N2CCN(c3nc4ccccc4s3)CC2)CCN1CC(F)(F)F 507895166 KEQTYIGGXPNULG-ZDUSSCGKSA-N 384.427 2.582 0 40 GFAB O=S(=O)(NC[C@H](c1ccco1)N1CCCCCC1)c1ccc2c(c1)OCO2 11999465 NHTOWEUTXBTVHT-MRXNPFEDSA-N 392.477 2.904 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)cc1 12114673 ZYAGBENUWZIJNU-UHFFFAOYSA-N 384.461 2.660 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(CC)cc2)n(C)c1=O 12374041 ZQIIKQNUPANKIQ-CQSZACIVSA-N 381.480 2.657 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)C3=COCCO3)cc2)cc1 12864661 XUZQMORPYYVYEB-UHFFFAOYSA-N 389.429 2.614 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2nc(CC)n(-n3cccc3)c2=S)cc1 16807029 CSNZMPYNYAXMAC-UHFFFAOYSA-N 399.476 2.905 0 40 GFAB O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccccc2OC(F)F)C1=O 17877357 MYVIFVWXUARTFB-LBPRGKRZSA-N 394.355 2.805 0 40 GFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CC2)C1 19528390 SOQKCPYMJHCVOQ-HSZRJFAPSA-N 392.503 2.841 0 40 GFAB COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 19570279 SOJCDNKLNDMMOY-MRXNPFEDSA-N 399.491 2.660 0 40 GFAB COCC(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 19592694 UPWWUKRFPBCYCC-KBXCAEBGSA-N 378.432 2.640 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4F)CC3)C2=O)c(C)c1 3570815 YCJXZWJMOISLLC-FQEVSTJZSA-N 381.451 2.897 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)NC1CCCCC1 5264190 XJVJFGUVQKYGJE-UHFFFAOYSA-N 398.532 2.716 0 40 GFAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 12227624 ZCHCRWGARMOULP-KBPBESRZSA-N 384.548 2.738 0 40 GFAB O=C(NC[C@]1(O)CCCc2sccc21)C(=O)Nc1ccc(F)c(Cl)c1 1889149384 GPBFEPZOOWDONZ-QGZVFWFLSA-N 382.844 2.819 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)OCc3ccccc3)C[C@H]2CN)C1 953075625 GUIGOAQUCMVWJX-DYESRHJHSA-N 389.496 2.841 0 40 GFAB O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1ccccc1-c1nnn[nH]1 36752375 KOFWCFHXIHJVHZ-LJQANCHMSA-N 376.464 2.824 0 40 GFAB CC(=O)N(C[C@@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 719085 MVHKFIURSMGIOK-ZWKOTPCHSA-N 386.835 2.554 0 40 GFAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc(OC)c1OC 844488 PUUPZVBABQDLSU-MRXNPFEDSA-N 378.425 2.540 0 40 GFAB CC[C@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccccc2OC)s1 4174669 GUALYRBIMJIKHC-LBPRGKRZSA-N 390.494 2.852 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)c1 7456871 PRHIFLKROCADRJ-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 2055812424 QNLYNLQEWKLSNK-IBGZPJMESA-N 389.908 2.965 0 40 GFAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)OCc1ccccc1 22851139 QBEONJGBMVKFBO-GOSISDBHSA-N 384.432 2.715 0 40 GFAB CN([C@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)S(=O)(=O)C1CC1 2086889738 VRNSKFZJADFVOG-ZDUSSCGKSA-N 380.901 2.676 0 40 GFAB O=C(Cn1cnc2ccccc21)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 585304738 GKOSHIWXOPXMJD-CQSZACIVSA-N 389.381 2.845 0 40 GFAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2nc3cc(F)ccc3o2)C1 585605888 KQUWYFQPUCIFBG-UHFFFAOYSA-N 377.379 2.722 0 40 GFAB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3S(C)(=O)=O)c2C(N)=O)C1 5222955 ZZQRFDNQWNYVGL-SNVBAGLBSA-N 392.502 2.628 0 40 GFAB CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 15953809 IBCZDZZYWPWXAW-VOJFVSQTSA-N 389.448 2.967 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 25916859 LOQGRNTXQWAWOV-UHFFFAOYSA-N 394.443 2.810 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 40161989 MVGCLMAXJBNUTR-YJBOKZPZSA-N 385.439 2.725 0 40 GFAB CCN(CC)[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 40105300 VERJFEHUQVQMAK-HXUWFJFHSA-N 381.524 2.892 0 40 GFAB CCCCCCn1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 100753776 NRWQURDMNLBUFZ-SFHVURJKSA-N 382.464 2.539 0 40 GFAB biogenic CC(C)[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1 28927220 LKNCRKHIDYUDKU-NRFANRHFSA-N 378.476 2.868 0 40 GFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1cccs1 7810608 OIQWEAZAEAEPQY-UHFFFAOYSA-N 387.461 2.593 0 40 GFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3sc4c(=O)[nH]cnc4c3c2)C1 45796116 PBKPCUSRCPZMIY-QWRGUYRKSA-N 377.491 2.804 0 40 GFAB COc1cccc(C(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)c1 1381532 DHZZIQRVBGKTSZ-UHFFFAOYSA-N 392.506 2.950 0 40 GFAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1cccc(Cl)c1 4487866 ILXDDQNPLLGHNZ-JAAXMTQOSA-N 383.828 2.675 0 40 GFAB Cc1sc(C(=O)Nc2ccc(C(=O)O)cc2)cc1S(=O)(=O)N1CCCC1 6679683 VAHDUCISTZCBGK-UHFFFAOYSA-N 394.474 2.792 0 40 GFAB CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 32831695 SAFDZXPQBLURQN-UHFFFAOYSA-N 378.469 2.731 0 40 GFAB CC(C)[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2[nH]1 7988334 VYRBCLMLIZKTKS-KRWDZBQOSA-N 397.479 2.631 0 40 GFAB CC(C)Cc1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)no1 32801565 JSVFRPDVHHDORM-UHFFFAOYSA-N 382.449 2.983 0 40 GFAB O=C1CCCCCN1CCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1 32843805 ZAGGJKJLAYUBBC-UHFFFAOYSA-N 392.931 2.964 0 40 GFAB CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCC4)C3=O)cc(=O)oc2c1 2643300 KPKBBKDZMKQBEK-UHFFFAOYSA-N 399.403 2.726 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3c(s2)CCCC3)cc1 8522380 TWISEVUKVQNWOQ-UHFFFAOYSA-N 381.475 2.510 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 102636513 QAKCYTHMXASIBA-GJZGRUSLSA-N 384.432 2.842 0 40 GFAB COc1ccc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2c1 102849492 XMMWRJWKZFGTAB-STQMWFEESA-N 387.461 2.809 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)o1 21919434 TUKUCXHWROPNBD-AWEZNQCLSA-N 397.244 2.985 0 40 GFAB Cc1ccsc1C(=O)N(C)Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 21936921 GZHXSOWHYWJHSX-CQSZACIVSA-N 381.523 2.502 0 40 GFAB CCOC(=O)c1sc2ncn(Cc3ccc(C(=O)OC)cc3)c(=O)c2c1C 791121 WOTFHKUOOOVHSP-UHFFFAOYSA-N 386.429 2.778 0 40 GFAB Cc1ccc2nc(SCC(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 22733674 UCHHZIOSTRZTJI-GJZGRUSLSA-N 376.526 2.579 0 40 GFAB COc1cc(CC(=O)OCC(=O)N(C)Cc2cccs2)cc(OC)c1OC 22820409 MSUWUCPSQGRKBF-UHFFFAOYSA-N 393.461 2.518 0 40 GFAB COCCN1CCN([C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 22929799 GCMZHDIXMVYSJM-NRFANRHFSA-N 383.492 2.639 0 40 GFAB CC(=O)Nc1cccc2c1CCN(CC(=O)Nc1nc3c(s1)CCCC3)C2 54393827 LTFNVTPBCRFZAM-UHFFFAOYSA-N 384.505 2.977 0 40 GFAB CN(CCOc1ccccc1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 23570751 AIIKMZKCCHJIQM-UHFFFAOYSA-N 396.896 2.546 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2)s1 24474366 MDVCQVGNIAZXNH-MRXNPFEDSA-N 378.519 2.780 0 40 GFAB Cc1cccnc1NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101644061 NQUYDVJOVZSRFP-IYBDPMFKSA-N 392.459 2.838 0 40 GFAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(O)cc2)n2nnnc2N1 35326989 PSNTXPWJKVANGZ-MRXNPFEDSA-N 382.811 2.960 0 40 GFAB CCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 8157373 QQVQZKGSFFECHW-UHFFFAOYSA-N 390.505 2.952 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492413 HZGZATIFMOGKGB-UHFFFAOYSA-N 385.489 2.699 0 40 GFAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3Cl)[nH]c(=O)c2[nH]1 57521139 ZLMCXVMBTZPRJG-UHFFFAOYSA-N 380.832 2.761 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(F)cc2)C(C)C)cc1 27602330 FENYSFDKHROLNC-KRWDZBQOSA-N 380.441 2.776 0 40 GFAB Cc1cccc(N2CCN(C(=O)Cn3nnc(-c4cccc(Cl)c4)n3)CC2)c1 10380868 FMIJKNCIXBATLX-UHFFFAOYSA-N 396.882 2.651 0 40 GFAB COc1cccc(NC(=O)CN(Cc2nnnn2C2CC2)c2ccccc2)c1 58309229 ZAEWYKRYBSYUSX-UHFFFAOYSA-N 378.436 2.662 0 40 GFAB COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 12595631 BCMPZLLFSCQJKB-HNNXBMFYSA-N 383.448 2.607 0 40 GFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCSCC1 2307895 JIJZYUCEBRMYSP-LBPRGKRZSA-N 391.493 2.729 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 12692445 BPCFUVRYEQITMW-ROUUACIJSA-N 398.459 2.923 0 40 GFAB CN(Cc1nnc2n1CCCCC2)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 12766757 XQXWYNQHZBPZGA-JLHYYAGUSA-N 393.491 2.803 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)c2oc3ccc(OC)cc3c2C)c2ccccc2O1 12925353 FTKMPDAMIDUMEX-GOSISDBHSA-N 380.400 2.904 0 40 GFAB O=C(Nc1cccc2ncccc12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13012162 KKOTVGOUQWOPBV-CQSZACIVSA-N 389.411 2.998 0 40 GFAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccc(Cl)c1 13730185 PSQSQPUZCJADPZ-UHFFFAOYSA-N 379.807 2.692 0 40 GFAB COc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)coc2c1 6156575 VFPKMRZZRVIFMP-GFCCVEGCSA-N 396.399 2.653 0 40 GFAB C[C@@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)NC(N)=O 6235584 FSSYPWVVGQBANU-GFCCVEGCSA-N 385.445 2.806 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1 14097459 JAEWOQQJKDTGBA-UHFFFAOYSA-N 380.447 2.684 0 40 GFAB CNC(=O)NC(=O)[C@H](OC(=O)c1cccc(OC(F)F)c1)c1ccccc1 6485929 WOFWRGPECKPLQK-CQSZACIVSA-N 378.331 2.642 0 40 GFAB COc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 4512743 BLBMKJDLEVWAEC-CYBMUJFWSA-N 383.404 2.838 0 40 GFAB COc1ccc(C(=O)Oc2cccc(C(=S)N3CCOCC3)c2)cc1OC 4551057 ZRFAEIYUJFQLQD-UHFFFAOYSA-N 387.457 2.931 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 6568837 RPRPVASQBYBUBI-UHFFFAOYSA-N 395.550 2.863 0 40 GFAB CCS(=O)(=O)n1nc(NCc2cccs2)nc1NCc1cccs1 4723829 VFOKVHFVCMHEQH-UHFFFAOYSA-N 383.524 2.823 0 40 GFAB COc1ccc([C@@H]2C[C@H](c3ccc(OC)c(OC)c3)n3nnnc3N2)cc1OC 6756393 OKGJKPZQDOUAHU-LSDHHAIUSA-N 397.435 2.854 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CCc2nc(-c3ccccc3)no2)n1 14801870 JFQVXXJKYPZBHD-UHFFFAOYSA-N 386.433 2.870 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 8778377 JWGWZNLELQMYST-ZHACJKMWSA-N 378.476 2.583 0 40 GFAB NC(=O)[C@H]1CCCN1[C@@H](C(=O)O)c1c[nH]c2cc(OCc3ccccc3)ccc12 80356962 KTDJJSNWLNTZSV-WOJBJXKFSA-N 393.443 2.822 0 40 GFAB CC(C)(C)C(=O)NCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)s1 7426215 NSNNKTHWJHUOAV-UHFFFAOYSA-N 383.477 2.947 0 40 GFAB COc1cc2c(cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O)oc1ccccc12 9048309 QEGSAMZHLPXIFX-HNNXBMFYSA-N 388.445 2.957 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 71288683 MJLRIFZRTSPKQX-QZTJIDSGSA-N 382.416 2.999 0 40 GFAB CC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 9501203 WCCSCMXSVPEXJP-UHFFFAOYSA-N 383.372 2.903 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2cc(=O)n(C)c3ccccc23)c1 72326034 LROTYTVOGIMGMX-UHFFFAOYSA-N 375.428 2.932 0 40 GFAB biogenic NC(=O)[C@@H]1Cc2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 84582108 VZDYPFAXYKEFIC-HNNXBMFYSA-N 399.248 2.916 0 40 GFAB CCc1ccc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1S(C)(=O)=O 95980182 ROQAUTAJFLWZEM-UHFFFAOYSA-N 390.490 2.762 0 40 GFAB COc1ccc(C(=O)N[C@H](C(=O)NCCCCCCC(=O)O)C(C)C)cc1 95956949 JCCRWQSXNSRXAC-SFHVURJKSA-N 378.469 2.601 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3OC)C2)c(OC)c1 95945518 AJFODIZZEMGVIV-KRWDZBQOSA-N 390.461 2.823 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408623538 RSKTXMWVYANBGD-LBPRGKRZSA-N 382.869 2.906 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCC(C)C)cc1Cl 39986557 COLMQNMEUSOHII-UHFFFAOYSA-N 390.933 2.912 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@H]21 1551453701 STZDAKVSKPZEJH-RDSIVUJASA-N 387.402 2.781 0 40 GFAB C[C@@H](NC(=O)CCCn1cnc2c(N)ncnc21)c1c(F)cccc1Cl 1527942891 CGUTYYDXEIMJCG-SNVBAGLBSA-N 376.823 2.859 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cc(C)ccc3C)CC2)cc1 216371671 XKSRACAQXRFSIA-UHFFFAOYSA-N 386.517 2.687 0 40 GFAB CC[C@H](C)[C@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccc(OC)cc21)n1cnnn1 1565520303 QSCDQLGVGFOIAN-OYYNGEPBSA-N 382.468 2.944 0 40 GFAB CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CN3CCOCC3)cc12 36740452 FNCKRAVCUYPIBL-UHFFFAOYSA-N 384.455 2.983 0 40 GFAB CSc1cccc(NC(=O)Cn2c(=O)c3nnc(C)n3c3ccccc32)c1 64871485 JQZPOBMHKUHSBJ-UHFFFAOYSA-N 379.445 2.713 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72358032 QROFDZLZPWLJHE-NRFANRHFSA-N 383.467 2.807 0 40 GFAB CN(C)c1cccc(C(=O)OCC(=O)NCc2ccccc2Br)c1 72330034 SMSQERWDXFCKRT-UHFFFAOYSA-N 391.265 2.988 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(F)cc1F 223844394 NSKFEXJDMJENLM-UHFFFAOYSA-N 392.493 2.523 0 40 GFAB O=C(c1cccc(-n2cccn2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225790545 VYMRZJZRUXMJPN-UHFFFAOYSA-N 388.475 2.504 0 40 GFAB CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2cccnc2)CC1 43942522 BXAJKUSGBVABMZ-UHFFFAOYSA-N 398.532 2.770 0 40 GFAB Cc1ccc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)c(C)c1 225238663 FBWDYVNBEDYGIX-UHFFFAOYSA-N 384.567 2.861 0 40 GFAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)n[nH]1 225557229 RXFCURVGVNNRNA-NSHDSACASA-N 383.271 2.700 0 40 GFAB COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222773018 ZQXSNGJGHCOLDH-SFHVURJKSA-N 384.476 2.635 0 40 GFAB Cc1cc(O)nc2ccc(NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)cc12 1585114180 LGNSRGLAQQMMFI-NRFANRHFSA-N 390.399 2.556 0 40 GFAB O=C(Cc1cc[nH]n1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 577823592 KSMSEDOFVBTVGA-LEWJYISDSA-N 378.451 2.876 0 40 GFAB O=C(CCNc1ncccn1)NCCn1ccc2ccc(Br)cc21 95477044 IHGCXWXNKHAOEU-UHFFFAOYSA-N 388.269 2.812 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@@]3(CC(=O)N(c4ccccc4)C3)C2)c1 96238402 DMRJKMQZBKCIQL-HXUWFJFHSA-N 386.473 2.513 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230548 UHHOZHBNHLXTDL-ISJRUSPKSA-N 392.455 2.685 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@](F)(CO)C1 585080423 OESNQROVPNHOPG-MRXNPFEDSA-N 377.865 2.614 0 40 GFAB NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCC2)CC1 257267922 MJLRKVCDBCUYPS-UHFFFAOYSA-N 378.476 2.580 0 40 GFAB C[C@H](c1ccc(NC(=O)c2ccc(OCC(=O)O)cc2)cc1)N1CCOCC1 659755554 HFWRZFSKCBDPCK-OAHLLOKOSA-N 384.432 2.796 0 40 GFAB O=C(CSc1ccc(F)cc1)N1CCC(n2cnc3ncccc3c2=O)CC1 390830653 MLPMTDYGUCNZIG-UHFFFAOYSA-N 398.463 2.886 0 40 GFAB CO[C@](C)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 96393090 YDLGIONUHDDTIB-LJQANCHMSA-N 378.831 2.773 0 40 GFAB O=C(COCc1ccccc1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390828928 CFWCJXHHKZXIPK-KRWDZBQOSA-N 379.503 2.653 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@H]2C)c1 585097160 GGUJGHQSGZCCAW-MRXNPFEDSA-N 392.459 2.860 0 40 GFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1ccc(F)cc1 585262194 ZSCHSBBENQEAPS-CZYKHXBRSA-N 398.478 2.991 0 40 GFAB C[C@H]1CN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C[C@H](C)O1 72396905 FOFHDSRQSNHPIB-GJZGRUSLSA-N 387.505 2.896 0 40 GFAB CN1CCN(C(=O)Nc2ccc3c(c2)CCC3=O)C[C@@H]1c1nc(C2CC2)no1 566662345 QNDIYWDTELNVHS-MRXNPFEDSA-N 381.436 2.597 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156533 KTHDYMVQGHEAKC-IBGZPJMESA-N 389.452 2.629 0 40 GFAB COc1cccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 5439613 SOPJASJPOGNRQM-UHFFFAOYSA-N 388.489 2.864 0 40 GFAB Cn1ncc2c1CCc1sc(N(C[C@H]3CCCO3)C(=O)c3ccccn3)nc1-2 12146111 ZZMNLNGNCGLNCP-CYBMUJFWSA-N 395.488 2.863 0 40 GFAB COc1ccc(CN2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)cc1OC 12182638 SFTBYQJCUYLOOX-HNNXBMFYSA-N 398.507 2.724 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 13646346 QZGRVPSQIBJOLA-GJZGRUSLSA-N 388.489 2.828 0 40 GFAB CCS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCO2 14396604 VXZPEQAFGKIGIL-UHFFFAOYSA-N 394.493 2.578 0 40 GFAB O=C1C[C@H](Sc2nnc(-c3ccncc3)[nH]2)C(=O)N1c1ccc(Cl)cc1 18090491 QVXGDXSWYPOGSL-ZDUSSCGKSA-N 385.836 2.944 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1ccno1)Cc1ccccc1O2 19016346 XYBYYHRUSSKUSS-UHFFFAOYSA-N 383.448 2.869 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)c4cccc(F)c4)CC3)ncc2C1 19018820 NJNVBMCCSIJUPJ-UHFFFAOYSA-N 382.439 2.540 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19079263 NUQUBVNOSDOERA-KUHUBIRLSA-N 384.455 2.783 0 40 GFAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)c2)cc1 19212634 LFPIPOUAGXPKOD-HSZRJFAPSA-N 378.472 2.697 0 40 GFAB CCc1nc(C)cc(N2CCN(C(=O)CCc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 19523131 REAZSZPISACILE-QGZVFWFLSA-N 394.519 2.952 0 40 GFAB COc1ccc(OC)c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1 19551697 NKZMHUVVYBZBMI-PCCBWWKXSA-N 382.504 2.566 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 19750480 AOVGTYFDBHMWJI-QGZVFWFLSA-N 390.443 2.982 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1O 8163640 DEGVLBLSAZOAKJ-WJDWOHSUSA-N 390.461 2.840 0 40 GFAB O=C1N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4387413 UVQRIPDTBBUCDQ-HUBLWGQQSA-N 388.342 2.991 0 40 GFAB CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O 29037241 IWZAITCKZZQXCV-UHFFFAOYSA-N 392.463 2.618 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)[C@H]3C[C@H]4C=C[C@H]3C4)C2)n1 1888866640 VSWGHGKCZFFCCM-MPGHIAIKSA-N 377.444 2.514 0 40 GFAB Cc1cc(C(=O)N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)no1 1888899326 UZNCBLBHRKWUPC-UHFFFAOYSA-N 381.436 2.834 0 40 GFAB O=c1cc(N2CC[C@@H](Oc3ccncc3Br)C2)nc2ccccn12 1776009240 WOCULQULJCMBCV-GFCCVEGCSA-N 387.237 2.510 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)CC1 238813483 AWRYZFNZMPIFFK-UHFFFAOYSA-N 396.871 2.708 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O 4249370 AVIAGTCNAAVSMI-UHFFFAOYSA-N 387.871 2.892 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc(=O)[nH]c1C 4317576 DTZCRYCPHGOMLP-UHFFFAOYSA-N 389.477 2.911 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)C1 11856491 KSDBIXYWLQDCOI-INIZCTEOSA-N 385.416 2.634 0 40 GFAB COc1ccc(-n2ccn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2=O)cc1 15675233 CVEVWEXZFJSIFZ-UHFFFAOYSA-N 393.443 2.572 0 40 GFAB CCc1cnc(OC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc1 1775972581 LQURZABQOCAJHU-UHFFFAOYSA-N 379.457 2.719 0 40 GFAB COc1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 1775965708 AZTXVPJJTLWFEP-UHFFFAOYSA-N 381.476 2.683 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cn1C 585147886 GAKSPDBVMQACAR-MRXNPFEDSA-N 389.477 2.815 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1 77200862 ABUMNAUCWXTPBK-DRUFCSCSSA-N 375.490 2.887 0 40 GFAB CC[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 30223698 KEGPXZVNBKPRJT-MRXNPFEDSA-N 387.505 2.635 0 40 GFAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc2c(c1)OCCCO2 40122148 HQWBSTGFWLFKBY-GOSISDBHSA-N 380.444 2.941 0 40 GFAB COc1ccc(NS(C)(=O)=O)c(NC(=O)COc2cc(C)ccc2C)c1 40146188 WGRQNHWJQGNVRF-UHFFFAOYSA-N 378.450 2.701 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cc1C 51292014 ARFRQZGRBRHZER-HNNXBMFYSA-N 390.509 2.631 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(NS(C)(=O)=O)c1 29163681 ANWMFIPMGFQPHJ-LJQANCHMSA-N 399.472 2.961 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cncn1-c1ccccc1 32249248 XDOFSUIBYLHDRN-HXUWFJFHSA-N 376.460 2.503 0 40 GFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccccc1 3553624 JLMURHKDDSPIPV-LLVKDONJSA-N 383.372 2.867 0 40 GFAB Cc1ccc(CN(c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)cc1 22231478 NNDYIMHCVOUWII-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB CCCn1c(=O)n(CC(=O)N2CCN(Cc3cccs3)CC2)c2ccccc21 21929941 YCDAVRACRYRSHP-UHFFFAOYSA-N 398.532 2.619 0 40 GFAB CCn1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)c(C)n1 2793291 YSPBDPXWCJTMQO-UHFFFAOYSA-N 379.873 2.910 0 40 GFAB CCOc1ccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 638121 PATHWADRACNHBF-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(Cn2c(=S)oc3ccccc32)CC1 22922056 UPCZOJPHRUSYKE-INIZCTEOSA-N 388.537 2.940 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc(-c2ccco2)no1 23003976 HPSGXJRJOXEYBD-UHFFFAOYSA-N 384.392 2.561 0 40 GFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1 23330634 GUBDPSVQCTUGNY-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB O=c1ccc(-c2nnco2)cn1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 58209474 QAWRELKAZCMQQY-UHFFFAOYSA-N 377.379 2.760 0 40 GFAB O=C(c1cncn1-c1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23865972 UXOZHGWLMOVAQA-UHFFFAOYSA-N 388.471 2.765 0 40 GFAB Cn1c(=O)n(CCC(=O)OCc2nc(-c3ccccc3)no2)c2ccccc21 21733766 HYERMIQTYDUHLM-UHFFFAOYSA-N 378.388 2.524 0 40 GFAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 27975080 DOIBWWWBIUMGBE-AWEZNQCLSA-N 376.840 2.993 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cccc(-c3nnco3)c1)C2=O 24740856 ISQWJYCVWNBPAB-LBPRGKRZSA-N 376.372 2.668 0 40 GFAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 24907692 YOSXBHHEVDZDIH-CQSZACIVSA-N 381.461 2.820 0 40 GFAB CC(C)c1ccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCOCC3)CC2)cc1 25053003 GKYUKWLYYDPOOI-KRWDZBQOSA-N 387.524 2.708 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 25765351 CFHRDMBQRTZMBT-HSZRJFAPSA-N 392.503 2.709 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 28240363 QGLCAPKGPWQNLB-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 3370349 WLAKHUIWBDBPTA-SFHVURJKSA-N 393.487 2.787 0 40 GFAB CCc1ccc(C(=O)OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 3332428 ZVNPXLNXEXCIHQ-UHFFFAOYSA-N 399.399 2.618 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 3337109 JICURKNWIDKNTN-UHFFFAOYSA-N 399.472 2.840 0 40 GFAB O=C(Cc1ccccc1F)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12745300 JTZUTNCMEVQBOD-UHFFFAOYSA-N 390.480 2.859 0 40 GFAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607410 HEZIVGFRTLSLJP-UHFFFAOYSA-N 396.896 2.791 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 12974151 LWPNQMZJVFBUDM-UHFFFAOYSA-N 386.395 2.602 0 40 GFAB CC(C)n1cnc([C@H]2CN(C(=O)N3CCCC3)C[C@@]23CCN(CC2CC2)C3=O)c1 306122955 AAMLPBLTZGLBNU-GCJKJVERSA-N 399.539 2.708 0 40 GFAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c12 64348191 VEYZLGSUCRJDPU-IRXDYDNUSA-N 392.459 2.791 0 40 GFAB CS(=O)(=O)CCNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 69422063 GTQNOBODKDXFJN-AWEZNQCLSA-N 389.315 2.634 0 40 GFAB Cc1cc(OCC(=O)NCCCO)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 5347422 PACXYSVBBALHGB-UHFFFAOYSA-N 395.455 2.878 0 40 GFAB Cc1nc(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)c(C(N)=O)c(C)c1C 14254335 MMNJWUCCOHSCIX-YGRLFVJLSA-N 392.525 2.602 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2ccccc2c(=O)o1 6659626 VNYOUWDBUHPFSP-UHFFFAOYSA-N 383.356 2.849 0 40 GFAB Cc1cc(OCC(=O)NC[C@@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 6659004 LBPLHWNWJSUZBF-GOSISDBHSA-N 393.439 2.819 0 40 GFAB O=C1S/C(=C\c2cccs2)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 6660617 QLJLUKGQCJUVRO-XTCQQWIJSA-N 380.491 2.548 0 40 GFAB C[C@H]1CN(C2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC2)CCO1 66395989 BLAQCZMRADWNLO-INIZCTEOSA-N 395.544 2.536 0 40 GFAB Cc1c(C(=O)NCCN(C(C)C)C2CC2)nnn1-c1ccc2ncccc2c1 66837867 XKJSKOBHNRNTGG-UHFFFAOYSA-N 378.480 2.727 0 40 GFAB NS(=O)(=O)Cc1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1 8704997 WTDOEVSYBSMLGB-UHFFFAOYSA-N 378.450 2.759 0 40 GFAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccccc1N1CCOCC1 8729170 KIZUUMGKVBQQCI-UHFFFAOYSA-N 379.420 2.540 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 7587529 VXIOGICZQRIDIM-NSHDSACASA-N 377.366 2.610 0 40 GFAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 7781120 HZCFKFSWSMBKKF-MRXNPFEDSA-N 396.871 2.949 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 7849100 DKQUYGJUMNHFDR-UHFFFAOYSA-N 396.422 2.827 0 40 GFAB COc1ccc2[nH]c(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c(C)c2c1 96118633 OULIOVZKLZFEKT-UHFFFAOYSA-N 379.342 2.751 0 40 GFAB COC(=O)c1cccc(-c2nnn(CC(=O)c3cc(C)n(C4CC4)c3C)n2)c1 78876833 RSCHVXRKFOLQOU-UHFFFAOYSA-N 379.420 2.763 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1C(=O)O 78938853 CEOJTGWMFWQIHQ-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB COC(=O)CC1(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCCCC1 78974596 PCZIIUFTXHMFDD-ZDUSSCGKSA-N 394.418 2.700 0 40 GFAB O=C(N[C@H]1CCCn2ncnc21)c1cnc(OCC(F)(F)F)c(Cl)c1 79053630 WKPBLKGWKOKNJD-JTQLQIEISA-N 375.738 2.533 0 40 GFAB CC(C)CCc1ccc(S(=O)(=O)Nc2cccc(-n3cn[nH]c3=O)c2)cc1 95941731 KOGMRSHYVPURKX-UHFFFAOYSA-N 386.477 2.950 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccsc3C(N)=O)o2)cc1 89455451 IXJIVYUSTJTYGM-UHFFFAOYSA-N 390.446 2.636 0 40 GFAB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccccc1 113875417 BVBNHHWYYKBZKH-UHFFFAOYSA-N 384.251 2.817 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 408680501 MSUIRFDNPHZPQG-UHFFFAOYSA-N 389.477 2.830 0 40 GFAB CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 408636817 CSTOHTSWBRXVOG-NOLJZWGESA-N 385.493 2.827 0 40 GFAB FC(F)(F)c1nnc2ccc(N3CCN(c4nc5ccccc5o4)CC3)nn12 301166996 COHRMKKVDRIPDK-UHFFFAOYSA-N 389.341 2.611 0 40 GFAB O=C(O)c1csc(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)c1 509045057 HRZNBGUELLMXQJ-CYBMUJFWSA-N 385.438 2.818 0 40 GFAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)n2)c1 72359771 UTPFDVMCLGIBDR-INIZCTEOSA-N 377.448 2.906 0 40 GFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccnc1 223567812 FAADBLWZXRWRGC-WOJBJXKFSA-N 393.516 2.849 0 40 GFAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 225923381 KYPFNOUMEQHUAW-UHFFFAOYSA-N 394.468 2.979 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1OC 223297420 VWDRXEHKSZSZGM-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB Cc1nc(CN2C(=O)COC3(CCN(Cc4ccoc4)CC3)[C@@H]2C)cs1 96062277 CZUBAYSTYDKWAS-AWEZNQCLSA-N 375.494 2.827 0 40 GFAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F)c1ccnn1C 96231575 TWYNPWOLIXPLGQ-SNVBAGLBSA-N 394.353 2.552 0 40 GFAB Cc1cccc(OCC(=O)N2CCN(C(=O)c3ocnc3C3CC3)CC2)c1C 585083491 RLTBTXYEVCSGGE-UHFFFAOYSA-N 383.448 2.532 0 40 GFAB Cc1cccc(C(=O)N2CCC(Cc3nccnc3-c3cnc(C)n3C)CC2)n1 257261302 LGQBJEBPTXVDFT-UHFFFAOYSA-N 390.491 2.984 0 40 GFAB Cc1nonc1COc1ccccc1C(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12 257334697 YHAHNWRORKMFJR-RXVVDRJESA-N 398.463 2.620 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C)cn1 257280906 OMWOHTSLMFUMAU-VAMGGRTRSA-N 378.476 2.600 0 40 GFAB CC(C)S(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1 278053575 UMFUMFICLFXNJA-QGZVFWFLSA-N 399.944 2.829 0 40 GFAB CN(C)C[C@H]1CSCCCN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 90608996 AYOPFMHGRHXACI-HNNXBMFYSA-N 396.500 2.904 0 40 GFAB CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 676020781 MWJXTOKCCBCYKD-MRXNPFEDSA-N 384.436 2.543 0 40 GFAB Cc1nn(C)cc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615122042 PDTCDTTZYZKZQA-NRFANRHFSA-N 386.471 2.656 0 40 GFAB Cc1ccc(OCC(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1 12084966 IJJRZHFBOHGRJU-OAHLLOKOSA-N 383.477 2.780 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)cn1 19238817 CYJUTULLIWNASQ-IFUGULHKSA-N 394.401 2.919 0 40 GFAB COc1ccc(CN(C)C(=O)[C@@H](C)N2C(=O)[C@H](C)Oc3ccccc32)cc1OC 19462011 BZVIKINCRUTFQH-CABCVRRESA-N 398.459 2.865 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 19497925 SHPAOOXBTXFXTM-NVXWUHKLSA-N 392.503 2.808 0 40 GFAB C[C@H]1Cc2cc([C@H](O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 19498026 LRUZEEAIBABYPH-OXJNMPFZSA-N 396.487 2.590 0 40 GFAB CCn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCOCC1 19524207 BCDVFXMBMNJNHD-UHFFFAOYSA-N 382.917 2.955 0 40 GFAB CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 19583224 HLNUJZRIGIXBIY-QGZVFWFLSA-N 395.482 2.691 0 40 GFAB Fc1ccc(OC[C@@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)cc1 19657879 CGVCPTCQODELHR-QGZVFWFLSA-N 386.471 2.743 0 40 GFAB Cc1ccc2cc(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)[nH]c2c1 19709260 GJKOMFQYHNGYIM-KRWDZBQOSA-N 392.507 2.576 0 40 GFAB CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccc3ncccc23)CC1 19756676 CXVMZLADUCBKSJ-UHFFFAOYSA-N 377.492 2.783 0 40 GFAB CC[C@]1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCC(=O)NC1=O 5260009 WXAZJIOEEPSLMB-LJQANCHMSA-N 390.436 2.711 0 40 GFAB COc1cc2c(cc1CN1CCC(c3cc(N)n4nc(C)cc4n3)CC1)OCO2 105716138 PKGDDJCDOFLPEW-UHFFFAOYSA-N 395.463 2.737 0 40 GFAB COc1ccc(CCNC(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1 225577035 YEXMGCGMLSUSIY-GOSISDBHSA-N 377.554 2.754 0 40 GFAB COc1ccccc1C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 12187401 ARQJTVMUOBIHKR-UHFFFAOYSA-N 379.420 2.863 0 40 GFAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4cn[nH]c4)CC3)ccc2n1 1888882025 SXMNBIWKLHXPFG-UHFFFAOYSA-N 382.468 2.681 0 40 GFAB COc1cccc2sc(N3C[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4C3)nc12 1888970076 IHVMBWLYQIQZOS-OKILXGFUSA-N 379.441 2.931 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCSCc1ccc(Cl)cc1 32340255 FGFFVSRPGPALRQ-UHFFFAOYSA-N 395.912 2.554 0 40 GFAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)c3ncc(F)cc3F)C2)C1 2056224832 YDIQEALCKYVMIP-HXUWFJFHSA-N 389.450 2.612 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cnccn3)s2)c1 4511375 KWCWMBRZCABQFO-UHFFFAOYSA-N 389.462 2.743 0 40 GFAB O=C(CN1CCN(c2nccn2-c2ccccc2F)CC1)Nc1cccc(F)c1 11695772 ZQTOBUNWJICOIO-UHFFFAOYSA-N 397.429 2.911 0 40 GFAB CCCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(=O)n(C)c(=O)n(C)c21 11845356 PLGZSMACLFIOCJ-UHFFFAOYSA-N 382.464 2.824 0 40 GFAB COc1cccc(C2=NC3(CCN(C(=O)c4ccc(C)c(C)c4)CC3)NC2=O)c1 15865143 QEDQUIFIGFZSJZ-UHFFFAOYSA-N 391.471 2.863 0 40 GFAB Cc1noc(C)c1C(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775971435 OFBFSDLPCDIROS-UHFFFAOYSA-N 381.411 2.850 0 40 GFAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc4nn[nH]c4c3)CC2)nn1 1775966170 WXSBFUDTNRXKNY-UHFFFAOYSA-N 394.479 2.977 0 40 GFAB Cc1cccc(CS(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c1 36700349 RLOKSRPGDHYAMI-OAQYLSRUSA-N 388.533 2.878 0 40 GFAB Cc1cc2c(cc1NC(=O)Cn1ccc3ccccc31)N(C)S(=O)(=O)N2C 575612370 MANNNMIIMWIIGR-UHFFFAOYSA-N 384.461 2.719 0 40 GFAB Cc1nccc(O[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 575611145 AQVCNZVITYUYEL-LBPRGKRZSA-N 388.276 2.934 0 40 GFAB CSc1nc(C)c(C)c(OCC2CCN([C@H]3CCN(C(C)C)C3=O)CC2)n1 2298051561 QCZMFNDUIZYTAB-KRWDZBQOSA-N 392.569 2.915 0 40 GFAB C[C@H]1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C(N)=O)C1 5223106 ZGWXXUXWYGSCOU-JTQLQIEISA-N 392.502 2.628 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19210908 DTJSXBCMEUHDJS-IAGOWNOFSA-N 380.492 2.604 0 40 GFAB CCN1C[C@@H](C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 40073521 RBUPYWGVBFWUSC-LBPRGKRZSA-N 375.450 2.634 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)c1cc(C2CC2)nn1-c1ccccc1 40115732 RVUAVQLBDUCGIN-UHFFFAOYSA-N 385.431 2.655 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40130124 XKJFEWMMJGMWNS-ZDUSSCGKSA-N 399.882 2.877 0 40 GFAB Cc1nc(S(=O)(=O)CC(=O)Nc2cc(F)ccc2F)n(CC(C)C)c1C 40152214 HEJMXXNNSYNVFW-UHFFFAOYSA-N 385.436 2.847 0 40 GFAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCO[C@@H](C(N)=O)C3)o2)cc1 50856901 UPBVYAFRGPKDHQ-LJQANCHMSA-N 391.427 2.643 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c(C)c1 2689090 SRMBDZBAIQRQMR-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N3)cc1 20738237 PIRPBGCZPFIJGD-HNNXBMFYSA-N 381.367 2.615 0 40 GFAB COc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)cc1 4107698 VNCTUQDRKKECOD-SNVBAGLBSA-N 377.491 2.556 0 40 GFAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCC(Cc2ccccc2)CC1 101412181 SPZXDJRQKHMSJH-UHFFFAOYSA-N 398.503 2.632 0 40 GFAB CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC 4217025 VBWVFQIJCNAECD-SFHVURJKSA-N 386.565 2.936 0 40 GFAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1Br 2636267 LOUSHRQNYUMYMV-UHFFFAOYSA-N 377.025 2.951 0 40 GFAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cc(Br)cc2c1OCOC2 101720148 WULXCASKFZAFNL-JTQLQIEISA-N 394.221 2.509 0 40 GFAB CN(C)CCCNC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 4967056 CBBLVOCYASNUSU-UHFFFAOYSA-N 389.594 2.758 0 40 GFAB CC(C)OCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 6344162 KYPBYZAGPMXEKV-UHFFFAOYSA-N 396.553 2.941 0 40 GFAB COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1Br 7552276 MILQDQQKKSUZCY-CQSZACIVSA-N 399.310 2.774 0 40 GFAB CC(=O)N1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)CC1 7982922 KLPUWWJGMDEKKE-UHFFFAOYSA-N 379.482 2.732 0 40 GFAB COc1cccc(NC(=O)[C@@H](Sc2nc(N)cc(=O)[nH]2)c2ccccc2)c1 32910025 QFKLDLFLAFYEOM-KRWDZBQOSA-N 382.445 2.833 0 40 GFAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCN(C)C)cc3)cc2c1 12323211 GOLITMFVZMYTBE-UHFFFAOYSA-N 396.443 2.525 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2ccccc2)cc1 47393958 KOXRWLRDNBWMDF-UHFFFAOYSA-N 377.466 2.575 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 16308842 AHPMMMWHPFXBTJ-SFHVURJKSA-N 398.488 2.838 0 40 GFAB COC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 103891312 DQJCYEDLMBWMFG-DOTOQJQBSA-N 397.818 2.556 0 40 GFAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1nccs1 61720272 HPXKBOLWRWYHOA-LBPRGKRZSA-N 393.900 2.655 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)cc1 23056900 PCESXIKJNBNVHZ-UHFFFAOYSA-N 382.435 2.851 0 40 GFAB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nnnn21 956267 QDIMORMZKZBTJF-GOSISDBHSA-N 376.420 2.999 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O 12522870 ZYAMCIUKPCYCLB-QRQCRPRQSA-N 377.444 2.876 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1nc2ccccc2[nH]1 12549642 YMKSNANENLPFRT-ZDUSSCGKSA-N 398.488 2.766 0 40 GFAB COc1ccc2c(c1)CCN2C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 105283991 YWRLRGOUXXRVRU-UHFFFAOYSA-N 395.503 2.924 0 40 GFAB Cc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cs1 24468557 OIKHUGPYQDVZAB-UHFFFAOYSA-N 391.562 2.837 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(C)CC1 22457556 KFHQFKCHEVQRDA-KSSFIOAISA-N 397.541 2.543 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 1317696 PCFFHFGMZBUXOR-VBQJREDUSA-N 396.390 2.661 0 40 GFAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 27999522 DTLGHEBWBAEDNJ-INIZCTEOSA-N 387.505 2.538 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@H](C)O1 25091538 DKXOQWRZQSLMGG-GJZGRUSLSA-N 378.428 2.732 0 40 GFAB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)cc1-n1cnnn1 25148001 IHHYXBAIYCCUPG-CXAGYDPISA-N 376.420 2.818 0 40 GFAB CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(c2ccccn2)CC1 1410535 CUIIECZZIFRLOM-QGZVFWFLSA-N 383.525 2.796 0 40 GFAB C[C@H]1c2cccn2CCN1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 56822565 GSWXCLXBASKANQ-KRWDZBQOSA-N 376.460 2.985 0 40 GFAB O=C(CSc1nc2ncccn2n1)NCCc1ccc(Cl)cc1Cl 8980900 HOIQXWBGQBDMSU-UHFFFAOYSA-N 382.276 2.882 0 40 GFAB Cc1ccccc1CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 57338483 NRSCKUGWWYFJSN-UHFFFAOYSA-N 376.386 2.774 0 40 GFAB O=C(CN1CSCC1=O)NCC1(c2cccc(Br)c2)CCC1 58412353 ITAWHGZQZJXTQL-UHFFFAOYSA-N 383.311 2.520 0 40 GFAB NC(=O)C1CCN(Cc2nc(O)c3sc(-c4ccc(F)cc4)cc3n2)CC1 36321311 NUCGBBLAOIYEEP-UHFFFAOYSA-N 386.452 2.900 0 40 GFAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 7985575 PIRZJYLIBJGWOD-UHFFFAOYSA-N 379.445 2.832 0 40 GFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1F 12805857 BJKIIFFHJHRMLO-NSHDSACASA-N 380.416 2.897 0 40 GFAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccccc1 3542464 QBMHUZSWCYXAHN-UHFFFAOYSA-N 379.445 2.560 0 40 GFAB COc1ccc(-c2noc(CCC(=O)N3CC(=O)Nc4ccccc43)n2)cc1 12999466 UHHZRCITMLYJNF-UHFFFAOYSA-N 378.388 2.663 0 40 GFAB CC(C)CCc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 12909885 MYYAZUGVPFIBPY-IBGZPJMESA-N 388.489 2.717 0 40 GFAB CCOc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38834378 UHBXJGUOYXWVQD-GOSISDBHSA-N 390.461 2.559 0 40 GFAB COC[C@H](C)n1c(SCC(=O)N[C@@H](C)C(C)C)nc2ccccc2c1=O 6083539 PLHYHEMJURGAMX-KBPBESRZSA-N 377.510 2.857 0 40 GFAB CCCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O 5014100 XCGZVQWINQZSCQ-CQSZACIVSA-N 376.482 2.508 0 40 GFAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)s1 39516794 SPIMJFITOPCQSJ-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NCc1ccccc1C)O2 64988547 ZCRZXCSJRKOQRB-IBGZPJMESA-N 388.489 2.537 0 40 GFAB CCOC(=O)c1sc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)nc1C 14078427 FOVPDUJDVKUZFF-LLVKDONJSA-N 381.479 2.896 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)ccc1OC 6433523 WZFPYUPZOLMTHM-CYBMUJFWSA-N 385.283 2.814 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)c1cccs1 8747486 ZZNDMDGYSBFSCW-IRXDYDNUSA-N 384.505 2.702 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)[C@@H]2C)cc1OC 4770604 HYFKLXRWAOTCQV-LIRRHRJNSA-N 377.462 2.855 0 40 GFAB COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1OC 5666107 MKNFFVCPVJRCRF-LBPRGKRZSA-N 387.388 2.545 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O 5797917 VTNGLMQBTUROSU-AVBTWRTFSA-N 387.480 2.547 0 40 GFAB COC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2C)c2ccccc2O1 6810860 HNMWIUXWGWPERO-QGZVFWFLSA-N 375.808 2.994 0 40 GFAB O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059821 QFKGDZXRXKJCEI-UHFFFAOYSA-N 384.871 2.582 0 40 GFAB COc1ccc(CSc2nnc(S[C@H](C)C(=O)NC(N)=O)s2)cc1 5871768 PPINZUMPXCNCJB-MRVPVSSYSA-N 384.508 2.515 0 40 GFAB COc1ccccc1-n1cnnc1SCc1cc(=O)n2c(C)cccc2n1 6985866 DGJWIXDFEQFXEG-UHFFFAOYSA-N 379.445 2.885 0 40 GFAB COc1ccc(-n2c(O)nc3nc(NCCc4cccs4)ncc3c2=O)cc1 67263544 ZQAWIDWKGBGZPU-UHFFFAOYSA-N 395.444 2.606 0 40 GFAB Cc1ccc(NC(=O)CCCNS(=O)(=O)c2cccc3nsnc23)cc1 19078101 ONUGYUGGCOEBQC-UHFFFAOYSA-N 390.490 2.697 0 40 GFAB COc1ccccc1N1CCN(C[C@H](CC(=O)Nc2ccccc2)C(=O)O)CC1 71280910 SAJYTCXUEMWUKC-KRWDZBQOSA-N 397.475 2.547 0 40 GFAB COc1ccc(-n2ccnc2SCC(=O)NCc2cn3ccccc3n2)cc1 7285436 YWUUBBKTXWYROH-UHFFFAOYSA-N 393.472 2.937 0 40 GFAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NC4CCCCC4)cnc23)c1 67235438 HBKCDLJYXCQINP-UHFFFAOYSA-N 394.475 2.860 0 40 GFAB CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1 9423958 NJZSUEPDWLTUND-UHFFFAOYSA-N 381.542 2.662 0 40 GFAB C[C@]1(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1(Cl)Cl 84673275 VDGYJUIDUWIJAM-GDBMZVCRSA-N 375.271 2.899 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CN(c4ccc(F)cc4)C3=O)c12 95469330 SFMOVOIDHGDZIO-MRXNPFEDSA-N 380.379 2.693 0 40 GFAB CCCN(Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)CC1CC1 95430307 AZUQVGCVMXAFMH-UHFFFAOYSA-N 376.497 2.555 0 40 GFAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccs2)cc1 67896653 AORXRAMAFAXISF-VQIMIIECSA-N 388.489 2.917 0 40 GFAB biogenic,in-vitro CCCCc1nnc(SCC(=O)NCCc2ccc(OC)c(OC)c2)n1C 408560991 TVOUUJCSTYWYQF-UHFFFAOYSA-N 392.525 2.626 0 40 GFAB Cc1cc(C)nc(Nc2cnc([C@H]3CCCN(S(=O)(=O)C(C)C)C3)cn2)n1 72363646 GEFIOEZLVSLPDA-HNNXBMFYSA-N 390.513 2.545 0 40 GFAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)N3CCCC3)CC2)C1 306134204 NFQRFPAELBQHIN-UHFFFAOYSA-N 398.486 2.537 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2F)[C@H]1c1ccc(Cl)cc1 72241284 KRUIAJNOTYULPT-QZTJIDSGSA-N 376.815 2.694 0 40 GFAB COc1nc(N2CCN(Cc3ncccc3Cl)CC2)ncc1Br 528396865 PJQYPLIEZCRBQT-UHFFFAOYSA-N 398.692 2.618 0 40 GFAB CC(=O)N1CCn2c(nnc2[C@H]2CCCN2Cc2ccccc2N2CCCC2)C1 72373873 GFJYFTZPPXTICV-HXUWFJFHSA-N 394.523 2.578 0 40 GFAB O=C(CN1CCC(c2cncc(Oc3cccnc3)n2)CC1)N1CCCCC1 72383553 ZWNADGLKECENLD-UHFFFAOYSA-N 381.480 2.856 0 40 GFAB CCc1cccc(NC(=O)Cn2c(=O)c3nnc(CC)n3c3ccccc32)c1 64871516 ULOGJNRMCUVKIW-UHFFFAOYSA-N 375.432 2.808 0 40 GFAB Cc1cc(C)cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 30848522 HHZDGFZJMVSRPG-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 225114535 AXMUQZGLEGUYSV-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB O=C(CCc1nc(-c2cccnc2)no1)N1CCN(c2ccc(F)cc2)CC1 225834908 HSXWZAAQRQVUDM-UHFFFAOYSA-N 381.411 2.552 0 40 GFAB COc1ccc([C@H](CC(=O)NC2CCCCCCC2)NS(C)(=O)=O)cc1 225957656 KCXREHUDDDSGMZ-SFHVURJKSA-N 382.526 2.905 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)cc1 224862745 QUFFXYRAEVOONK-UHFFFAOYSA-N 385.388 2.732 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCCN(C)CC(F)(F)F 40107489 RWNDTOPRRYWFOJ-HNNXBMFYSA-N 391.409 2.581 0 40 GFAB Cc1ccccc1OCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 224396787 OCULRKNAIJYGDS-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1 77099473 YFFPSDMZPZGTBY-HNNXBMFYSA-N 375.368 2.875 0 40 GFAB COc1ccccc1S(=O)(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77198102 PKTQBSUUXKBJSY-UHFFFAOYSA-N 391.371 2.665 0 40 GFAB Cc1c(CNC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)oc2ccccc12 576917648 OTWSGTUAANAACG-IBGZPJMESA-N 376.478 2.852 0 40 GFAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4cccc(C)n4)C3)C2=O)n1 96048818 HMENLMCVNSAEGU-QFIPXVFZSA-N 378.476 2.748 0 40 GFAB O=C(CCCc1nnc2ccccn12)Nc1n[nH]c(CCc2ccccc2)n1 96116648 MXUZDNCECHGEPS-UHFFFAOYSA-N 375.436 2.594 0 40 GFAB CCc1ccc(CN2CC[C@@]3(CC(C(=O)N4CCC(N(C)C)CC4)=NO3)C2)cc1 96225679 RYUIMIWCOVBLAJ-HSZRJFAPSA-N 398.551 2.522 0 40 GFAB Cc1ccc([C@H](CNC(=O)C[C@H]2OC(=O)c3ccccc32)N2CCOCC2)cc1 97207927 NJIMJNLTCBVPFT-LEWJYISDSA-N 394.471 2.786 0 40 GFAB O=C(NCCCCCc1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 96117187 FJQVGWISCHAHPJ-UHFFFAOYSA-N 381.484 2.738 0 40 GFAB Cc1cc2cc(NC(=O)N3CCC([C@H]4OCCC[C@H]4N)CC3)ccc2n(C)c1=O 580880723 KPMYNFNAJJFSIC-UYAOXDASSA-N 398.507 2.597 0 40 GFAB O=C(C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NC1CC1 96053006 GRNWRDZDHKDAGR-INIZCTEOSA-N 390.487 2.807 0 40 GFAB CCOC(=O)C1CCN(C(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)CC1 96181622 AIBKWKFQCNSLGU-UHFFFAOYSA-N 392.883 2.766 0 40 GFAB CCOC(=O)[C@@H]1C[C@@]2(C)[C@H](CCCC[C@H]2O)N1S(=O)(=O)c1ccc(C)cc1 248114350 ZJRZYKZLCWIHRO-GNBUJSLZSA-N 395.521 2.631 0 40 GFAB CCc1noc([C@]2(O)CCN(Cc3ccc(OCc4c(C)noc4C)cc3)C2)n1 585084576 CRFKIIINXHKWMK-NRFANRHFSA-N 398.463 2.909 0 40 GFAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(O)nc(N3CCOCC3)nc2N1 585655804 QUFUFNGTJQCGPL-LLVKDONJSA-N 395.246 2.800 0 40 GFAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cccc(-c2cccc(Cl)c2)c1 667051499 HGNZJVVEFPKYQS-IRXDYDNUSA-N 394.880 2.941 0 40 GFAB CC(C)CCn1nc(CNC(=O)N[C@H]2CCc3c(nnn3C)C2)c2ccccc21 585090997 KTIFEEHCLLTZIE-HNNXBMFYSA-N 395.511 2.568 0 40 GFAB CCCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 5617024 WZXNNEGCPQMQLP-UHFFFAOYSA-N 382.511 2.773 0 40 GFAB Cc1cc2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)cc(C(F)(F)F)n2n1 13226843 DDSNOXDPYAKBEB-UHFFFAOYSA-N 392.385 2.810 0 40 GFAB O=C(CCc1cc(O)no1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 19346470 KVZKNSWUBMBZFN-UHFFFAOYSA-N 386.839 2.863 0 40 GFAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cc3c(cc1Cl)OCO3)C2 19402311 DTQZKTIXINHBOH-UHFFFAOYSA-N 396.834 2.772 0 40 GFAB CC(C)N1CCC(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)CC1 19447767 CVDCQZDPJRLABI-UHFFFAOYSA-N 382.508 2.750 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H](C)c3ccccc3)ncc2C1 19459258 WOVLKZJCNQTODT-FOIQADDNSA-N 378.476 2.848 0 40 GFAB Cc1cc2c(cc1CN(C)Cc1ccccc1N1CCOCC1)n(C)c(=O)n2C 19715791 XCPBGZCZFIXCIO-UHFFFAOYSA-N 394.519 2.654 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(-c3ccco3)nc2)cc1 238956027 XYTOZGVIHBBRMC-UHFFFAOYSA-N 384.457 2.994 0 40 GFAB CCS(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)cc1 4585924 ZYUQXUFKLOAHSM-UHFFFAOYSA-N 380.491 2.770 0 40 GFAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 23143633 ZPFDHSIHIRPMKI-UHFFFAOYSA-N 389.351 2.791 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1 217997881 MKDQTQYVYPRWTM-IBGZPJMESA-N 388.445 2.577 0 40 GFAB COc1ccc(C[C@@](C)(O)CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 77200860 OHRXCFSVEOZCIR-JOCHJYFZSA-N 397.450 2.958 0 40 GFAB CN(C)[C@@H](CNC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccco1 40086492 DUNCWJLYWZQHJY-KRWDZBQOSA-N 397.431 2.923 0 40 GFAB COc1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1N1CCCC1=O 40134017 JMJLBPZKBPBSCO-UHFFFAOYSA-N 394.493 2.508 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)s1 1324961 QHZKVUOGXFKMMD-LBPRGKRZSA-N 394.522 2.773 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1=O 4308584 WHISVUQPWXWRJH-YRVVQQKDSA-N 375.444 2.772 0 40 GFAB Cc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)n2)s1 7784914 VCCHWWMITCZBIQ-KRWDZBQOSA-N 390.490 2.839 0 40 GFAB O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(Br)s1 2632995 IOXPQKWGTMPXAJ-UHFFFAOYSA-N 382.235 2.667 0 40 GFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102269369 GJIZYYRNJNOOIH-HUUCEWRRSA-N 382.382 2.839 0 40 GFAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 32860034 MUNZTFZFLASKLE-GOSISDBHSA-N 392.434 2.740 0 40 GFAB CN(Cc1cnn(C)c1)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1 2770844 FSLJCJQJMTZNMY-UHFFFAOYSA-N 375.782 2.825 0 40 GFAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1cccc(CN(C)C)c1 33089431 QJDQSMCLXDWWHO-OAQYLSRUSA-N 396.535 2.888 0 40 GFAB Cc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1S(N)(=O)=O 8848974 GSNSNDLEULOHTI-UHFFFAOYSA-N 396.472 2.958 0 40 GFAB CC1CCN(c2ccc(C(=O)Nc3cccc(-c4noc(=O)[nH]4)c3)cn2)CC1 103521820 DSVYZJDUXIQBJF-UHFFFAOYSA-N 379.420 2.914 0 40 GFAB C/C(Cl)=C/CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 863356 KEKSUNAHEDTHEU-XFXZXTDPSA-N 390.896 2.717 0 40 GFAB COc1ccc(NC(=O)CSc2ccc3nnc(C(F)(F)F)n3n2)cc1 61719387 USVWKLYOJXIADX-UHFFFAOYSA-N 383.355 2.883 0 40 GFAB C[C@@H]1CCCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1 105777558 IPDSMUURMRECIW-BZUAXINKSA-N 377.916 2.930 0 40 GFAB Cc1ccccc1N(CC(=O)Nc1cccc(Cn2ccnc2)c1)S(C)(=O)=O 25172612 DOSBGDKTTZOYGR-UHFFFAOYSA-N 398.488 2.645 0 40 GFAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 8157139 KFRNPAGIDDUTBY-FQEVSTJZSA-N 397.456 2.620 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2c(C)cccc2Cl)c1=O 57478751 AHAZKDHBOSAGDN-UHFFFAOYSA-N 377.853 2.845 0 40 GFAB COc1ccc(CNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 57427500 IETXTMMNRQPSIT-UHFFFAOYSA-N 377.444 2.852 0 40 GFAB Cc1cc(C)c(CNC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)c(C)c1 58194837 JCYKJTBCWGKVCT-UHFFFAOYSA-N 376.460 2.924 0 40 GFAB CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2148093 WRYNFKDCCOOQAP-BBRMVZONSA-N 375.421 2.937 0 40 GFAB biogenic CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Oc1ccccc1 36185446 FXPZEFZHTXCFNB-OAHLLOKOSA-N 384.432 2.712 0 40 GFAB CC(=O)N1CCN(C(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 28268017 GVIBJTZLWKLQOI-UHFFFAOYSA-N 394.500 2.931 0 40 GFAB Cc1c(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 58699097 HCFWKKCUOVVUPZ-INIZCTEOSA-N 393.896 2.626 0 40 GFAB CN1C(=O)c2ccc(NC(=O)NCc3cccc(NC(=O)C4CC4)c3)cc2C1=O 12777285 PCOCCLDPUZQABP-UHFFFAOYSA-N 392.415 2.583 0 40 GFAB COCCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48374627 HEBBWIUVEKHADZ-UHFFFAOYSA-N 397.504 2.801 0 40 GFAB O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccco1 13627867 ALFLLANRLOUFHD-UHFFFAOYSA-N 384.436 2.625 0 40 GFAB C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCC1 6049600 LRQMDJSZSAPPOY-CQSZACIVSA-N 399.944 2.937 0 40 GFAB C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 19174099 PNDPBWRYPFRMQK-RWLLOJOVSA-N 390.549 2.988 0 40 GFAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 5642271 MFELMKVSHZHJNW-UHFFFAOYSA-N 378.763 2.755 0 40 GFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(C)c1 4814954 GEUZJBJFPXHXET-UHFFFAOYSA-N 399.476 2.860 0 40 GFAB CCOC(=O)c1c(C)oc2nc(CN(C)Cc3cc(C)ccc3OC)[nH]c(=O)c12 8744579 WPVWGSCQIMNYSO-UHFFFAOYSA-N 399.447 2.950 0 40 GFAB O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(c2ccccc2F)CC1 7098108 SWRKAGXEVREFKN-UHFFFAOYSA-N 395.478 2.839 0 40 GFAB CN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(Br)cc2)n1 7148740 VGIYUWNGPRGVML-UHFFFAOYSA-N 386.253 2.761 0 40 GFAB COc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CC1 7626833 BNOOYRHWQYHVQP-ZBFHGGJFSA-N 392.521 2.788 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)Cn2cnc3sccc3c2=O)c1 19351821 GEDWYQFUTDYGTI-UHFFFAOYSA-N 384.461 2.579 0 40 GFAB Cc1c(CCC(=O)N=c2[nH]c3ccccc3[nH]2)c(=O)oc2c(C)c(O)ccc12 9059971 GDGLPPGQYQQBSN-UHFFFAOYSA-N 377.400 2.985 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)CC2 9834048 ZGGMSWWZXFDXPM-UHFFFAOYSA-N 388.508 2.873 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccc(Cl)cc1 71328840 GCNNJPJJGRMYQH-CQSZACIVSA-N 387.871 2.594 0 40 GFAB COc1cc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc(Cl)c1OC 9817573 YOGGPOODFQJOKS-UHFFFAOYSA-N 375.764 2.768 0 40 GFAB O=C(NC1CCCCC1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556148 MVHCXLZBGQLLDH-UHFFFAOYSA-N 397.479 2.565 0 40 GFAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)NCCCCCC(=O)O)C(=O)[C@@H]2C1 408685146 QEXZSFXQVXFYDA-DOTOQJQBSA-N 398.459 2.907 0 40 GFAB NC(=O)C1(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)CCCCC1 72289156 PFAMJZRJJVHFHG-UHFFFAOYSA-N 381.480 2.573 0 40 GFAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)[C@@H]1CSc2ccccc2O1 71847890 QVIQFIZXJVYXGP-INIZCTEOSA-N 379.441 2.835 0 40 GFAB CC1(C)CC(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC(C)(C)N1 97372358 BMVDEDCEZJDRKZ-MRXNPFEDSA-N 377.554 2.707 0 40 GFAB O=C(NN1CCCNC1=O)c1ccc(Oc2cccc(Br)c2)nc1 95467329 HEMJEDFLRPGWAM-UHFFFAOYSA-N 391.225 2.697 0 40 GFAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1-n1cnnn1 79474398 OKDJOGFDYLCITI-UHFFFAOYSA-N 381.827 2.555 0 40 GFAB COc1ccc([C@@H](NC(=O)CN(CCC(N)=O)c2cccc(C)c2)C2CC2)cc1 89672695 TXJKRHZXUWISSU-QHCPKHFHSA-N 395.503 2.953 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(C(=O)c4ccco4)C[C@H]32)cs1 306133080 MBDMGSQLDIBZHB-JKSUJKDBSA-N 382.445 2.568 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 408601048 DVOCHTDFBYGDOD-LBPRGKRZSA-N 380.491 2.723 0 40 GFAB NC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C3SCCCS3)cc2)C1 61497733 NMXQYKPBWCNIEU-CQSZACIVSA-N 380.535 2.658 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1c(F)cccc1F 408526770 CHUITPYYNYAVMY-UHFFFAOYSA-N 398.431 2.977 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409366966 YNLMXEDLIFOJCM-UHFFFAOYSA-N 388.917 2.856 0 40 GFAB CNc1ncc(-c2nc(C(=O)NCCCn3ccnc3)c3ccccn23)s1 306144897 ZRTSPQOFFCZKFE-UHFFFAOYSA-N 381.465 2.516 0 40 GFAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)NCCCCCC(=O)O)cc3)C(=O)[C@H]2C1 408680946 IOVRTTNFMFXQQT-ROUUACIJSA-N 398.459 2.907 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCC(NCc2ccc3nc[nH]c3c2)CC1 522756709 DGSPKMYINSEULB-UHFFFAOYSA-N 384.505 2.647 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC 33732414 GGDOJYONACYGTF-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 30851567 LYICHYGEDOHUMD-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccccc3)cc2)[C@H]1CO 72321127 BUHGAIPQRFIZKE-TZIWHRDSSA-N 382.460 2.856 0 40 GFAB biogenic,in-vitro O=C1CCCc2cc(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)ccc2N1 32329918 WQTZJMFCMUAIAU-UHFFFAOYSA-N 381.363 2.800 0 40 GFAB Cc1cccnc1Nc1nccc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72377584 DAFVRNPVCJSEBF-QGZVFWFLSA-N 380.496 2.725 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 224344471 IGLKBNSQVPMBQA-UHFFFAOYSA-N 375.498 2.642 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(OC)c1 223327530 YZJVIYRBADLOTF-UHFFFAOYSA-N 384.797 2.593 0 40 GFAB O=C(CCn1sc2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1 40287705 KKHFKMNGGTWMER-UHFFFAOYSA-N 379.445 2.732 0 40 GFAB Cc1cccc(N(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2O)S(C)(=O)=O)c1C 224830784 IXPNWOOFHWCFGV-RTBURBONSA-N 396.553 2.612 0 40 GFAB Cc1n[nH]cc1C1CCN(C(=O)NCc2cc3ccccc3n(C)c2=O)CC1 571473064 SSVJJZGPUIJFDP-UHFFFAOYSA-N 379.464 2.659 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OCC(=O)N(C)C 223244167 PEEVJMUVXVYWNH-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB C[C@@H](C(=O)NCCCc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220458366 OAGPXWGWZZOKML-AWEZNQCLSA-N 396.459 2.868 0 40 GFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1C 224778252 AUIQIYPXXNMKGN-UHFFFAOYSA-N 392.477 2.951 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)NCc1ccccc1)C2 96227422 NQQREKMESAGOOY-UGKGYDQZSA-N 378.476 2.662 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1ccc(F)cc1 96238769 NDBUAGHBSOKCEA-KRWDZBQOSA-N 380.466 2.705 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CCCCC2)CC[C@@]1(C)O 514289703 BPWUVHNKJYJBAX-SLFFLAALSA-N 380.554 2.957 0 40 GFAB biogenic,in-vitro O=C(Cc1ccc(-n2cnnc2)cc1)N1CCC2(CC1)OCCc1ccsc12 581544304 XCFKEHYOTWWYBL-UHFFFAOYSA-N 394.500 2.962 0 40 GFAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21 96053278 QLNJRCPCIIZFMG-KRWDZBQOSA-N 379.460 2.759 0 40 GFAB COc1ccc(CN2C[C@@H]3CN(Cc4nccs4)CCN3C(C)(C)C2)cc1 253399567 JRQUYTODOBIMAW-SFHVURJKSA-N 386.565 2.932 0 40 GFAB biogenic,in-vitro C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 253395442 BXHHKDAEPSDNFU-GOTSBHOMSA-N 383.511 2.579 0 40 GFAB biogenic,in-vitro CCSc1ccccc1C(=O)NCCN1c2ccccc2N(C)S1(=O)=O 253473807 YSDCESOPZHETHC-UHFFFAOYSA-N 391.518 2.730 0 40 GFAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)cc1O 257239951 HRMSYGIILDXPKD-FUBVMCKASA-N 389.492 2.782 0 40 GFAB Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cncc4ccccc34)C2)cc1 635383050 VGKUNVYYYVLTLV-LJQANCHMSA-N 388.471 2.872 0 40 GFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(CC(=O)O)CC2CC2)cc1 653462142 SXRIPOHHYJQTAY-UHFFFAOYSA-N 391.427 2.631 0 40 GFAB CCCc1ccc(S(=O)(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1 57784362 OPMWPHVQEDYLPP-UHFFFAOYSA-N 375.429 2.863 0 40 GFAB O=C(NCc1ccccc1-n1cccn1)[C@H]1CCCN1C(=O)OCC(F)(F)F 68674065 VRXZPQZHQFBBLG-OAHLLOKOSA-N 396.369 2.652 0 40 GFAB CN1C[C@@H](NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)C(C)(C)C1 1156590684 OIIWWGHNOAYHJD-LJQANCHMSA-N 391.475 2.885 0 40 GFAB COc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615154738 GQNCCGCNLHMMHR-QFIPXVFZSA-N 380.444 2.733 0 40 GFAB COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2 2040495 PRGILOMAMBLWNG-HNNXBMFYSA-N 385.416 2.569 0 40 GFAB biogenic,in-vitro CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 779426 SIMZLDIVCKTODD-CQSZACIVSA-N 375.494 2.536 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 5242211 IIVSGLAGBKLNIF-CPUCHLNUSA-N 380.391 2.955 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)CCCc2nc3ccccc3s2)s1 11203475 KHHKGWDAMOUFRF-UHFFFAOYSA-N 395.531 2.644 0 40 GFAB COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4n[nH]c5c4CCCC5)C[C@@H]32)cc1 12087666 VKZLAWQSZFHBCJ-GHNFSYLKSA-N 381.476 2.667 0 40 GFAB Cc1cc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1O 12507762 COWMOWYWFATZRB-GOSISDBHSA-N 379.420 2.616 0 40 GFAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)Nc3cc(C)on3)nc2-c2ccco2)on1 13226184 IORGXYZCWARKBW-GFCCVEGCSA-N 395.375 2.963 0 40 GFAB O=C(NCc1ccncc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 13583311 JENCMCCWWGWUTN-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB COc1ccc2nc(SCC(=O)N(CCC(N)=O)c3ccccc3)[nH]c2c1 16804641 IAUCOXKCLQFFEQ-UHFFFAOYSA-N 384.461 2.572 0 40 GFAB Cc1cc(-c2cn(CCO)nc2[C@@H]2CCCCN2C(=O)Cc2cccnc2)on1 19121337 UTLAYEUWKWTWNW-SFHVURJKSA-N 395.463 2.530 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2 19234789 RPCIVSNWLMXTHU-NRFANRHFSA-N 392.503 2.986 0 40 GFAB CC(C)CCn1nnnc1[C@H](CC(C)C)N1CCN(C(=O)c2ccco2)CC1 19446968 ALVDFQPLKNCWNR-KRWDZBQOSA-N 388.516 2.857 0 40 GFAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)Cn4cncn4)C3)noc2n1 19568739 DZNNAQOZUAJEOE-NSHDSACASA-N 394.357 2.548 0 40 GFAB COc1ccc(CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1C 19571204 RUVYAGHXHSRNNM-UHFFFAOYSA-N 394.519 2.730 0 40 GFAB Nc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)[C@@H]1CC13CCC3)CC2 19701108 SMOYJUQMYZSTIY-SFHVURJKSA-N 390.487 2.669 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1 19754663 JPWSSDPHESUHMQ-MRXNPFEDSA-N 389.455 2.901 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCCCC3)n2)cc1C 211100666 DMIVQLJHOANWQU-UHFFFAOYSA-N 390.509 2.571 0 40 GFAB COc1cccc(CN2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1 1889205342 JCSGSAYEUBLWAW-UHFFFAOYSA-N 392.507 2.918 0 40 GFAB O=C1CCC(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 24757667 DHIGNGBXOGQXQZ-UHFFFAOYSA-N 377.488 2.543 0 40 GFAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)no1 2037984952 STHNLIZBFSCJKB-NRFANRHFSA-N 383.448 2.665 0 40 GFAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cnc(Cl)cc1Cl)CC2 1565554771 ZNRBBJBGBNFYTK-UHFFFAOYSA-N 399.303 2.788 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2ccc3c(OC)cccc3c2=O)cc1 2712186 BAAVUWGOFWVOJR-UHFFFAOYSA-N 380.400 2.826 0 40 GFAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)C3=COCCO3)nc12 5256914 BEKKLKHIDHXMSC-UHFFFAOYSA-N 397.884 2.741 0 40 GFAB CCCn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 8709735 AGKUUPKUCAQXFO-OAHLLOKOSA-N 379.464 2.786 0 40 GFAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 10253186 ICSOUQJUQNCIDB-UHFFFAOYSA-N 389.408 2.851 0 40 GFAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)[nH]c2=O)cc1 11340506 HKBYGZKPJRKUMO-UHFFFAOYSA-N 384.436 2.934 0 40 GFAB Cc1nc(CN2CC3(CCN(C(=O)c4csc(C)n4)CC3)CC2=O)cs1 2055796005 JCERLPGEQWLOOU-UHFFFAOYSA-N 390.534 2.871 0 40 GFAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1cc2ccccc2oc1=O 225581980 LEIDIORWOWSANZ-UHFFFAOYSA-N 388.427 2.963 0 40 GFAB COc1cc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc1OC 55142529 HNKPPWGAFWVDPL-MRXNPFEDSA-N 378.425 2.682 0 40 GFAB CCn1cc(C(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc21 40148972 ARDUGPANGPEHNX-NRFANRHFSA-N 391.471 2.991 0 40 GFAB CC(C)Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1F 20169867 ZOGBYAQHKORDNP-UHFFFAOYSA-N 378.473 2.691 0 40 GFAB Cc1cc(C(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)c(C)n1C 7938874 FTFOJHOKARFCQV-UHFFFAOYSA-N 388.489 2.862 0 40 GFAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7931424 RQLVFRWXKZRWCK-GFCCVEGCSA-N 385.420 2.855 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](c3nc(C)no3)C2)C(C)C)cc1 59586010 QIQHPILHSYYQNR-MSOLQXFVSA-N 384.480 2.847 0 40 GFAB COc1cc(NC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc(OC)c1 11666500 ZKNHGXPXWKQMPH-UHFFFAOYSA-N 375.855 2.831 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1C1CC1 8073285 ZOVOXASCEYOOCK-QFIPXVFZSA-N 393.443 2.852 0 40 GFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 32080853 VGBXWWYPJUIYSA-AWEZNQCLSA-N 388.445 2.542 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 1985830 IVDHTSGTLLWHCI-GOSISDBHSA-N 380.444 2.834 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)Cc1ccc(N2CCCC2=O)cc1 8024603 SPLKVKYQGVMOKY-UHFFFAOYSA-N 379.460 2.673 0 40 GFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4c(C)noc4C)CC3)c2c1 20732637 MGDVJYPEUXGJPV-HXUWFJFHSA-N 398.463 2.725 0 40 GFAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 6455521 VBXWWUZDSDASOB-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818351 CTMKLJCOQSNOFG-UHFFFAOYSA-N 392.462 2.907 0 40 GFAB COc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1C 7058394 JSPJFIUOOHVTES-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 29818404 YJTDDKXGIVWULK-UHFFFAOYSA-N 395.846 2.780 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)N1CCN(Cc2ccccc2)CC1 32946912 KGDMBAZMZDAWAU-HNNXBMFYSA-N 385.537 2.518 0 40 GFAB COCc1c(C(=O)OCC(=O)Nc2nncs2)sc2cccc(F)c12 32908013 JSACNKMWSHUDCQ-UHFFFAOYSA-N 381.410 2.834 0 40 GFAB COCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 21896394 LDPZKOXOJCHTOP-KRWDZBQOSA-N 385.489 2.723 0 40 GFAB O=C(NCCSCc1ccccc1)c1c[nH]n2c1nc(=O)c1ccccc12 103724303 URESIOAJRARJLM-UHFFFAOYSA-N 378.457 2.839 0 40 GFAB CN1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)[C@H](c2ccccc2)C1 22840542 MTHFXJYNZSPXDZ-SFHVURJKSA-N 399.878 2.581 0 40 GFAB COc1ccc([C@H](c2c(O)c3ccccc3oc2=O)N2CCOCC2)c(OC)c1 104241872 RSGZQOJZYCRBIC-HXUWFJFHSA-N 397.427 2.937 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)o1 23682680 GLWGZPUUEZKCFX-KBPBESRZSA-N 378.450 2.638 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1F 24980060 ZBGCRUKZQGRLOH-MRXNPFEDSA-N 397.450 2.962 0 40 GFAB COc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 10110688 OFJZOIKVANTUCZ-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25278112 SLRHCEBKLSEGKQ-INIZCTEOSA-N 393.365 2.589 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 25249410 IMADFZRVXNWQCW-UHFFFAOYSA-N 383.400 2.808 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 20456347 GXTZDQPPNOEYKY-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB CNC(=O)[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1OCC(C)C 107551502 OMXDAVAIXKEKDD-QGZVFWFLSA-N 384.480 2.648 0 40 GFAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486098 ZMOWYCGABPYWPW-UHFFFAOYSA-N 389.452 2.967 0 40 GFAB Cc1csc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 29885576 YLKGBOZWAVVOGX-LLVKDONJSA-N 394.294 2.883 0 40 GFAB COc1c(C=O)c(CCN(C)C(=S)NCc2ccccc2)cc2c1OCO2 2100394 LFEHNFNWGHUURY-UHFFFAOYSA-N 386.473 2.785 0 40 GFAB biogenic CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c1 58407756 MPSYTASYTIIHBS-DICRZQGBSA-N 375.513 2.956 0 40 GFAB O=C(NC1CCN(Cc2ccncc2)CC1)C1(c2ccccc2)CCOCC1 58497371 NFKJWMSUVZBMBX-UHFFFAOYSA-N 379.504 2.911 0 40 GFAB CC1(C)Cc2c(sc3nc(SCC(=O)N4CCCC4)nc(N)c23)CO1 2414596 SJNFTNPLTNKWNM-UHFFFAOYSA-N 378.523 2.839 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCOc3ccccc3F)CC2)cc1 12767143 QCYFOHXPPNGKKT-UHFFFAOYSA-N 399.466 2.686 0 40 GFAB CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(F)cc1 12772892 HWLORPJGNXLHCX-UHFFFAOYSA-N 392.452 2.702 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 8267116 LQOQBDVYDAQZGQ-JLCFBVMHSA-N 395.434 2.961 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[C@H]1CCCc2ccccc21 3594597 MLLKUPNSBYJQMH-WMZHIEFXSA-N 389.455 2.574 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2ccccc2Oc2ccccc2)NC(=O)NC1 12982969 GIYBVCMZWSCBMM-UHFFFAOYSA-N 396.399 2.766 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 6083096 BQBIHIDIUZZYOR-JOCHJYFZSA-N 389.411 2.889 0 40 GFAB COc1cc([C@H]2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc(OC)c1OC 8487018 VZYAFPKYZPKTSG-MRXNPFEDSA-N 385.347 2.791 0 40 GFAB CC(C)(C)OC(=O)N1CCC(NC(=O)COCCOc2ccccc2)CC1 49999354 XEMLOAUSFLXWJD-UHFFFAOYSA-N 378.469 2.598 0 40 GFAB CCc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 4468576 WGRHNYMEVAMGGU-QFIPXVFZSA-N 377.444 2.971 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408603566 KWNNESDOAVDAHK-MRXNPFEDSA-N 382.526 2.935 0 40 GFAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCO)ccc12 5350642 YSOVBEPVLBMVDY-UHFFFAOYSA-N 381.428 2.570 0 40 GFAB O=C(COC(=O)Cn1nnc2ccccc21)Nc1nc(-c2ccccc2)cs1 6618534 ZOQPABMYHOXSGA-UHFFFAOYSA-N 393.428 2.737 0 40 GFAB COc1cc(C[C@H]2COC(=O)[C@H]2[C@@H](OC)c2ccc(O)c(OC)c2)ccc1O 14646862 XFRKTFIYHNVQBQ-KPOBHBOGSA-N 388.416 2.834 0 40 GFAB biogenic CCOC(=O)c1c(NC(=O)COc2ccccc2)sc(C(=O)NC)c1C 5867309 KWQNWGKVCSQFPF-UHFFFAOYSA-N 376.434 2.610 0 40 GFAB COc1ccccc1OCCN1C(=O)[C@](O)(CC(C)=O)c2cc(Cl)ccc21 4988081 HJZMCJJBZAAIBT-FQEVSTJZSA-N 389.835 2.941 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc3ccccc3[nH]1)n2CC 8719747 XJIRKMQQDJHPRX-UHFFFAOYSA-N 398.492 2.875 0 40 GFAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C2CC2)o1 68413764 QQZDIISLPHFERF-WNVKWMEASA-N 385.464 2.662 0 40 GFAB COc1cccc(C(=O)C[C@@]2(NC(=O)C(C)C)C(=O)N(C)c3ccccc32)c1 9341353 FIFFQUJJAQCWOT-QFIPXVFZSA-N 380.444 2.912 0 40 GFAB COCCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9668388 IWSMTQWWTFTWQW-VBKZILBWSA-N 377.444 2.864 0 40 GFAB Cn1c(CCNC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]c1=S 84304319 LKDOTEVZTCVFDV-UHFFFAOYSA-N 381.299 2.631 0 40 GFAB COc1ccc(NC(=O)C[C@@]2(C(=O)O)CC(c3ccc(OC)cc3)=NO2)cc1 72403248 JKEUUWOUQDAUCF-HXUWFJFHSA-N 384.388 2.680 0 40 GFAB O=C(CN1CCCc2sccc2C1=O)N(Cc1cccnc1)C[C@@H]1CCCO1 84425014 STDGXQYSXYKVCO-KRWDZBQOSA-N 399.516 2.739 0 40 GFAB Cc1ccc2nc(C3CC3)cc(C(=O)N3CC(n4cc(C(C)(C)O)nn4)C3)c2c1 95998123 JXGRXLXPSNAOEX-UHFFFAOYSA-N 391.475 2.937 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@H]2c2ncon2)cc(C)c1OCc1cccnc1 95981290 UGPRTABTRRNVCP-SFHVURJKSA-N 394.431 2.874 0 40 GFAB Cc1ncsc1CN1CC2(C[C@@H](COc3ncccc3F)CCN2C)C1 306132277 LDNWWWVHUWUSNC-HNNXBMFYSA-N 376.501 2.961 0 40 GFAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 551242421 UOUACBGSSRSGDB-MRVPVSSYSA-N 382.663 2.588 0 40 GFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1C[C@@H](C)C[C@H](C)C1 34863263 ZUHXWDDYAWPAQV-XYJFISCASA-N 378.538 2.808 0 40 GFAB COc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCOCC3)nc2)cc1 30637086 RQTUIYAXHMMART-UHFFFAOYSA-N 379.464 2.607 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218564129 ITJLHESTTAYOET-IRFCIJBXSA-N 387.501 2.697 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCC1=CCCCC1)O2 38852456 RBHMEFPTAHSFJJ-SFHVURJKSA-N 378.494 2.529 0 40 GFAB Cn1ncc2ccc(CNC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc21 566043173 CPFKKMFLQTZDFY-UHFFFAOYSA-N 392.868 2.528 0 40 GFAB CCc1nnc2c(=O)n(CC(=O)Nc3cccc(Cl)c3)c3ccccc3n12 64871503 OMXIBMKPTAOQMJ-UHFFFAOYSA-N 381.823 2.899 0 40 GFAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(F)c(F)c2)CC3)C[C@@H](C)O1 72347271 JSERPIVVJCDGFQ-BETUJISGSA-N 390.434 2.632 0 40 GFAB O=C(CSc1ccncc1)NCCc1cc2nc(-c3ccncc3)ccn2n1 72340740 DDAWDTCRGVGFOO-UHFFFAOYSA-N 390.472 2.637 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)Cc2ccc(OC)cc2)CC1 40089823 LFXALUFKJVXFDK-UHFFFAOYSA-N 381.520 2.692 0 40 GFAB COc1cc(NC(=O)CCc2nc3ccccc3[nH]c2=O)cc(OC)c1OC 72406515 IJFZPTARIXJIEC-UHFFFAOYSA-N 383.404 2.520 0 40 GFAB O=C([C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)N1CCn2c(nnc2C2CCCC2)C1 527487103 NQAQDQIYRDWGSX-UXOAXIEHSA-N 384.402 2.634 0 40 GFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC(n2cc(COc3ccccc3)nn2)C1 225627893 GHQBRFRSAKQMPG-UHFFFAOYSA-N 390.403 2.537 0 40 GFAB CSc1ncccc1C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 44036581 IMCOUWBADUYFMD-UHFFFAOYSA-N 385.489 2.582 0 40 GFAB COC(=O)C(C)(C)NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 46217479 YPGQEPAEXBPKGC-UHFFFAOYSA-N 378.450 2.817 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2ncsc2Br)c1 572192474 HXHKMHRXQIJODS-UHFFFAOYSA-N 376.257 2.529 0 40 GFAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C 49550430 GFKYZAZBZIMRTN-SFHVURJKSA-N 385.512 2.514 0 40 GFAB OC[C@@H]1CCC2(CCOCC2)CN1Cc1nc(O)c2cc(Cl)ccc2n1 528636552 CTIAQMDVNCEBMY-AWEZNQCLSA-N 377.872 2.742 0 40 GFAB Cc1ccc(N2CCC[C@@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)nn1 96217051 JGSXPNBIXYGQQM-LJQANCHMSA-N 390.484 2.605 0 40 GFAB Cc1cc(C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)ccc1-n1cccn1 577379552 JQBOYDRGOMGKMC-GOSISDBHSA-N 392.463 2.570 0 40 GFAB COc1ncccc1CN1CC[C@]2(C[C@@H](OCc3csc(C)n3)CO2)C1 96218480 BGLHLMKQWQPXGM-MJGOQNOKSA-N 375.494 2.805 0 40 GFAB CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCNC[C@@H]3C(F)F)cc2s1 585089196 LTPZOQSJTJLFHX-GFCCVEGCSA-N 389.493 2.821 0 40 GFAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)o1 257222933 DVEXRAPKYJBSPB-KRWDZBQOSA-N 397.475 2.602 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)nc2O)CC1 257308323 TWHVTKKJYRTGGP-MBOZVWFJSA-N 396.491 2.904 0 40 GFAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(C)cnc2OC(C)C)C1 626574998 ANUKLLHVJFJPBA-XYJFISCASA-N 376.501 2.941 0 40 GFAB Cc1cc(S(=O)(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)ccc1Cl 655500512 VNNGJRXWZSPRJU-UHFFFAOYSA-N 383.901 2.760 0 40 GFAB CN(C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 90608953 XNIFDJSMPOKNCL-GFCCVEGCSA-N 398.472 2.643 0 40 GFAB CCN1C(=O)C[C@H](C(=O)Nc2cnc3ccccc3c2)[C@H]1c1nccn1CC 1615547934 GTMWLKVMYMEGDU-LPHOPBHVSA-N 377.448 2.999 0 40 GFAB CCCOc1ccc(S(=O)(=O)NC[C@H](OCCO)c2ccc(C)cc2)cc1 96338074 FJHGFVJCORCLCY-FQEVSTJZSA-N 393.505 2.812 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)n1 390828347 QOUBDLWRALDIDQ-KRWDZBQOSA-N 397.475 2.866 0 40 GFAB O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)NCc1cccs1 585199109 DMFZIQYNOOYNFD-UHFFFAOYSA-N 383.477 2.608 0 40 GFAB COC[C@@H]1CC2(CCN(C(=O)C3CC(F)C3)CC2)CN1Cc1cccnc1 585103465 GVNLIOTYWKNFAY-ACBHZAAOSA-N 375.488 2.659 0 40 GFAB O=C(C[C@]12CCCC[C@H]1C2(F)F)NS(=O)(=O)c1cccc(-c2nnco2)c1 585094028 WCXREQAXNYKPBV-CZUORRHYSA-N 397.403 2.757 0 40 GFAB O=c1cc(NC[C@H](O)COc2cccc(Cl)c2Cl)nc2ccccn12 67916081 BBIBVMRJETUNOX-NSHDSACASA-N 380.231 2.853 0 40 GFAB C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1nc(C(F)(F)F)n[nH]1 1652797997 AAJFYWXSQHVAFI-JTQLQIEISA-N 378.358 2.639 0 40 GFAB COc1cc(OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1Cl 11652207 XIAQLCVQRWJCIH-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB CS(=O)(=O)c1snnc1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 12730295 YPHRYLCGRWNTAE-NSHDSACASA-N 397.547 2.512 0 40 GFAB Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(COc3ccccc3)n2C)s1 13568955 DNQMJHMSGPCMOS-SNVBAGLBSA-N 390.494 2.673 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 13636658 BQTQDLVHUAQOKM-HNNXBMFYSA-N 399.274 2.900 0 40 GFAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13683261 TZCYSEQUCSOJLB-UHFFFAOYSA-N 379.309 2.623 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 19020210 FUXCOOWKISYBLM-AUSIDOKSSA-N 394.519 2.806 0 40 GFAB CC(C)N1CCC(CN(C)C(=O)Cn2c(=O)oc3cc(Cl)ccc32)CC1 19447795 KFSYGJCKMZRWEH-UHFFFAOYSA-N 379.888 2.827 0 40 GFAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@@H]5C)CC4)nn3c(O)c2C1 19462880 UYEQSLYSJIMRQG-HOCLYGCPSA-N 397.523 2.563 0 40 GFAB COc1ccc2c(c1)C[C@H]([C@@H]1CCCCN1C(=O)Cc1ccccn1)C(=O)N2 19562309 GYYNNNVJHBJHOE-QUCCMNQESA-N 379.460 2.825 0 40 GFAB CN(C)CCn1nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 19583061 YFDYDMIZVRNLQX-KRWDZBQOSA-N 384.528 2.674 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN([C@H]2CCSC2)CC1 225573640 MKMCRVZHNJWYFB-KRWDZBQOSA-N 398.594 2.808 0 40 GFAB O=C(c1cc[nH]n1)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643560083 KALZEZPKJHQQMB-QFIPXVFZSA-N 396.491 2.554 0 40 GFAB Cc1nc(NC(=O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)sc1C 12133817 BPARCYRLNIVUIY-UHFFFAOYSA-N 399.520 2.575 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1CO 12667522 URKRVRGZPJQUFY-MRXNPFEDSA-N 381.480 2.500 0 40 GFAB O=C(NC1CCN(C(=O)Cn2ccc3ccncc32)CC1)c1ccccc1F 19347752 QIVJBVRPNGRQPQ-UHFFFAOYSA-N 380.423 2.596 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@@H](n4cc(C5CC5)nn4)C3)c2O1 253472429 MEDKOKWBZLKIQH-MRXNPFEDSA-N 382.464 2.721 0 40 GFAB Cc1ccc(NC(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)cc1C 575605344 JTTWKJWUTKHASA-UHFFFAOYSA-N 383.500 2.866 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)ccn1 1889115695 KXCXLRLDLWMVFJ-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB Cn1nccc1-c1ccc(CCNS(=O)(=O)c2cccc3nsnc23)cc1 1889302871 YYBDRKXYUIZKMV-UHFFFAOYSA-N 399.501 2.613 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2nnc3ccc(-c4ccsc4)nn23)s1 238820322 CMNPNRCTZBJMSG-UHFFFAOYSA-N 391.503 2.701 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NC[C@H](OC)c1cc2ccccc2o1 244969186 HCYVXNQCNAKZJK-IBGZPJMESA-N 382.416 2.562 0 40 GFAB Cc1c(Cl)cccc1-n1ccn2c(=O)n(Cc3ccc(F)cc3)nc2c1=O 245070512 QMYBAMKORCDPHQ-UHFFFAOYSA-N 384.798 2.796 0 40 GFAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(Cc3cc(F)cc(F)c3)[C@@H]2CN1 2037983722 DEJCBUFFAIVFJF-QWFCFKBJSA-N 376.378 2.587 0 40 GFAB O=C(N1Cc2ncn(CC3CC3)c2[C@H](COCc2cccnc2)C1)C1(F)CC1 1615102312 SWGIJMZDRMFLDM-KRWDZBQOSA-N 384.455 2.833 0 40 GFAB COC(=O)C1=C(C)OC(=O)[C@]1(NC(=O)CCC1CCCCC1)C(F)(F)F 12402733 GRFLXIGTIDMHGJ-INIZCTEOSA-N 377.359 2.768 0 40 GFAB C[C@H](NC(=O)C(=O)NCc1ccc([C@@H](O)c2ccco2)s1)c1ccccc1 206687139 MOEJXAAYJCEOQG-UGSOOPFHSA-N 384.457 2.916 0 40 GFAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O 38492489 FSKVEFZKSPONIH-UHFFFAOYSA-N 389.839 2.536 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)n1cccn1 575614469 UFOZBGYYGRWSBY-INIZCTEOSA-N 384.461 2.606 0 40 GFAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102345321 YVJUVPURECJFHY-GVARAGBVSA-N 388.489 2.967 0 40 GFAB COc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1OC 40071729 UJGAKGOEADNUHL-INIZCTEOSA-N 396.484 2.733 0 40 GFAB CC(C)[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)N1C(=O)c2ccccc2C1=O 40062766 UHWWAXOSMWZQCE-SFHVURJKSA-N 389.415 2.527 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4C)[C@H]3C2=O)cc1 100032945 QVWZEBGDOSYVPZ-RBUKOAKNSA-N 391.431 2.544 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 30562963 OFVIUCRKISIOKY-MRXNPFEDSA-N 380.448 2.606 0 40 GFAB Cc1cc(N2CCN(C(=O)c3occc3-c3ccccc3)CC2)n2ncnc2n1 30585156 DEVBKKVWSRINFB-UHFFFAOYSA-N 388.431 2.655 0 40 GFAB O=C1C[C@@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccccc1 100113763 QDAYJKBPVWIXSM-ZNKOEICNSA-N 393.531 2.905 0 40 GFAB NC(=O)[C@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCO1 50853667 TUNQULKTIVYJOG-LJQANCHMSA-N 395.434 2.619 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@@H](C)C3)c2)c1 11497207 SNHYCIZWEAKPGO-INIZCTEOSA-N 388.489 2.965 0 40 GFAB CCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 11411688 UWFOBKLEOAQGBJ-AWEZNQCLSA-N 387.505 2.506 0 40 GFAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccs1 20559071 ZPKIPBJYLKSBKH-IBGZPJMESA-N 397.500 2.978 0 40 GFAB O=C(NCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1330539 RUYBSNAHDWTZNR-QGZVFWFLSA-N 396.871 2.949 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C)CC1 2653574 ZRVKXCOXDYJOJU-KRWDZBQOSA-N 384.567 2.654 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 3358838 SXJDTROQERQOIY-OAHLLOKOSA-N 398.278 2.512 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 3958377 YBQSBIHXYMHPKZ-UHFFFAOYSA-N 395.525 2.699 0 40 GFAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)s1 4893399 KEFTVVJESAMPEQ-UHFFFAOYSA-N 399.472 2.919 0 40 GFAB O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1ccccc1 4968209 ASZUBXNGBPGYCK-UHFFFAOYSA-N 381.455 2.566 0 40 GFAB Cc1ccc(NC(=O)COc2ccccc2[C@H]2CC(=O)Nc3ncnn32)cc1C 6205682 IDOHHBCTLNMRLS-QGZVFWFLSA-N 391.431 2.844 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1 6438740 KCBMIKKAAKEZBY-UHFFFAOYSA-N 380.897 2.887 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 7980963 BLSKMXOMRYVWRK-UHFFFAOYSA-N 385.445 2.833 0 40 GFAB CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NC)cc1 32747956 MPSBCKYMWPNOHD-UHFFFAOYSA-N 376.460 2.920 0 40 GFAB O=C(Cc1ccsc1)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 21769607 JJFIYULFKHEZPD-INIZCTEOSA-N 387.457 2.969 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCc2nc(-c3ccsc3)no2)on1 21913460 BXLRLKFABRDJSK-SNVBAGLBSA-N 376.394 2.598 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1C(=O)N(CCO)[C@@]2(C)C[C@H]1c1ccccc1O2 102972450 KVCMLNPUHGIRPP-XWFZLUIHSA-N 380.444 2.667 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 813875 SFRUXLIWAKKZTA-UHFFFAOYSA-N 375.479 2.986 0 40 GFAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccs2)C[C@H](C)O1 23078013 VVNGEJPYZFRLCB-STQMWFEESA-N 380.491 2.798 0 40 GFAB CCOC(=O)c1c(C)oc2nc(Cn3cccc(C(F)(F)F)c3=O)nc(N)c12 23107687 QGSWUOCRMBLYBA-UHFFFAOYSA-N 396.325 2.519 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2cc(F)ccc2OC)cc1 23578912 JYRNLDRXDRYWTM-CYBMUJFWSA-N 375.396 2.747 0 40 GFAB C[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)C1 20460731 CTBXJPNWXJLRLW-ICSRJNTNSA-N 392.565 2.920 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)cc1 28609590 MMYODLSGIKWCGP-INIZCTEOSA-N 384.407 2.665 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)cc12 24032953 HCFZYKRHNBSWCB-UHFFFAOYSA-N 378.841 2.586 0 40 GFAB COC(=O)C1(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CCCCC1 25176851 MXCBTRSLHFJUMC-UHFFFAOYSA-N 386.496 2.818 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 43544872 WLADJIWNAZGTCW-RTWAWAEBSA-N 379.504 2.832 0 40 GFAB O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 25638963 ODOKWKZEBVVQBW-QBBAMIDUSA-N 396.462 2.964 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 12554852 UBXGFBRAYKGKOR-CYBMUJFWSA-N 384.436 2.594 0 40 GFAB Cc1cc(=O)c(C(=O)NCc2cccc(CN(C)C)c2)nn1-c1ccccc1 43977832 XZZWRBXHJUKCRP-UHFFFAOYSA-N 376.460 2.533 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1cn(C)nc1C 68156170 LTHXGNXJJLRJJL-RDTXWAMCSA-N 384.480 2.609 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)CC1 25784819 OIWLRMYGASBDSY-ZDUSSCGKSA-N 393.944 2.780 0 40 GFAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(CC(F)F)CC1 58169283 BNMXMRUJKURJRC-QGZVFWFLSA-N 381.467 2.549 0 40 GFAB Cc1c(CCC(=O)NCCCCCC(=O)O)c(=O)oc2c(C)c(O)ccc12 2102255 RQFNAYWPMHJGMI-UHFFFAOYSA-N 375.421 2.809 0 40 GFAB biogenic CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 58304865 MNLRSGYMQFKPEB-AEFFLSMTSA-N 398.507 2.585 0 40 GFAB C[C@H](OCC(F)(F)F)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 58419846 ZEXMFZXDWXJSKX-LBPRGKRZSA-N 379.423 2.577 0 40 GFAB COc1ccc(C(=O)NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1 10660436 ICOBNYSAOLVVIU-UHFFFAOYSA-N 379.368 2.667 0 40 GFAB CN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(F)c(F)c1F 7737522 AXGVRGZTYUIDQN-UHFFFAOYSA-N 383.414 2.981 0 40 GFAB CCCn1c(=O)n(C[C@@H](O)COc2ccc(C(=O)OCC)cc2)c2ccccc21 12764289 AKHGRNDGSGLMCN-QGZVFWFLSA-N 398.459 2.830 0 40 GFAB C[C@@H](NC(=O)CCc1nnc(=S)[nH]c1O)c1ccccc1Br 12852389 HHEFBUJTEMSALL-MRVPVSSYSA-N 383.271 2.812 0 40 GFAB CCNC(=O)NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 3546512 GQYIXDQKQJAUAW-UHFFFAOYSA-N 384.310 2.968 0 40 GFAB NC(=O)c1ccccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8039762 JVTHVYJKDKFNCR-KRWDZBQOSA-N 396.443 2.689 0 40 GFAB COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1 8117469 XYBAASRABPXRAH-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 14014245 SYYZKRUSAGTGBY-MDZDMXLPSA-N 396.466 2.722 0 40 GFAB O=C(NCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1F 14184583 YFVRRKMFMKDEOS-UHFFFAOYSA-N 395.887 2.615 0 40 GFAB COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 4731415 HOOFFBBOSOPQFL-JOCHJYFZSA-N 391.471 2.795 0 40 GFAB Cn1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 14899676 AUKFBJZJYMFBJJ-UHFFFAOYSA-N 390.509 2.775 0 40 GFAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(-n2ccnc2)cc1 18048329 LGPFMQYWFDQBDY-ZYSHUDEJSA-N 394.475 2.615 0 40 GFAB COc1ccc(CNC(=O)Cn2c(-c3ccc(OC)cc3)nc(C)cc2=O)cc1 67198610 VEUZPRIQLICXAM-UHFFFAOYSA-N 393.443 2.552 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C)ccn1 9154529 UNTDJAGBIXSPQG-CQSZACIVSA-N 397.497 2.568 0 40 GFAB O=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96115116 QTXZOMRGFXNBEZ-IBGZPJMESA-N 388.427 2.837 0 40 GFAB biogenic Cc1nc(-c2ccccc2O)nn1CC(=O)NCCc1c[nH]c2ccccc12 72370100 WAOFNQGOOOEWCF-UHFFFAOYSA-N 375.432 2.799 0 40 GFAB Cn1c(=O)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 72404749 NZOWOKFKBPLTEC-UHFFFAOYSA-N 375.472 2.933 0 40 GFAB COc1ccc2nnc(CCC(=O)Nc3ccc4[nH]c(CC(C)C)nc4c3)n2n1 72403136 ZUSYXEDQQZCLLS-UHFFFAOYSA-N 393.451 2.779 0 40 GFAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 84549369 POBFUTVDSJCTFF-HKUYNNGSSA-N 383.423 2.714 0 40 GFAB COc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22332743 LQMSPTVFFCYMPP-LJQANCHMSA-N 388.489 2.655 0 40 GFAB COCCN(CC(F)F)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 79020911 LDKUPZZMFKYCQM-UHFFFAOYSA-N 389.196 2.644 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1cc(C)n(C)n1 95998591 IQQUJWQBSDQWAB-LJQANCHMSA-N 397.454 2.884 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 113967651 DCYJEXAIEGZZOW-INIZCTEOSA-N 382.432 2.826 0 40 GFAB COc1cc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc(OC)c1 25869188 DTAZVXHMLANWPF-GFCCVEGCSA-N 390.461 2.667 0 40 GFAB CCOC(=O)C1=C(C)N=C(SCC(=O)OC)N[C@@H]1c1ccccc1OCC 408991318 QDRQAFNYFBOOES-QGZVFWFLSA-N 392.477 2.829 0 40 GFAB Cn1ccnc1C(=O)N1CCC[C@H](c2nc(N)ncc2-c2cccc(F)c2)C1 72346216 RUMYOPAJOXFQIH-AWEZNQCLSA-N 380.427 2.618 0 40 GFAB O=C1CCCCCN1CC(=O)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 72375609 GQISAVGIBPBMNE-KRWDZBQOSA-N 394.479 2.681 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1)S(C)(=O)=O 224217949 PWNUZFGZAJJWTL-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB COc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 225123189 TXPBKLXGBKPWBQ-UHFFFAOYSA-N 390.446 2.600 0 40 GFAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21 40478621 UPENCBACWQBNFV-UHFFFAOYSA-N 383.423 2.905 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223802356 ZMCYTKSZGHVYFN-UHFFFAOYSA-N 390.461 2.722 0 40 GFAB O=C(COc1ccc(CCNC(=O)c2ccc3c(c2)CCC3)cc1)NC1CC1 48365950 RTGVFDWPNLZRAQ-UHFFFAOYSA-N 378.472 2.805 0 40 GFAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 223290774 BWCRCSUCWHOVBV-BJMVGYQFSA-N 380.853 2.909 0 40 GFAB COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224862317 RQGAYVIOAAPFGJ-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)c1 220163559 CYWHHWAQICUHOU-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCCCCc1nc2ccccc2[nH]1 96117046 FOVGNNFNWLGQKU-UHFFFAOYSA-N 396.491 2.711 0 40 GFAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@@H]2N 238855617 SGHUIAHMXYQPIE-USTZCAOPSA-N 389.496 2.886 0 40 GFAB O=C(CCc1ccccc1)N1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]2C1 96081051 VONZBURFSDSPKI-OYRHEFFESA-N 398.528 2.539 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O 243200086 KENATWFVQCAJJI-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB O=C(CN1CCOCC1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257224790 FDIXTFHEWYJGOK-LJQANCHMSA-N 387.455 2.790 0 40 GFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccccc1C)CC2 257337228 YRYHOBNNHOPCKJ-SFHVURJKSA-N 379.508 2.721 0 40 GFAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)oc2ccc(F)cc12 257212555 CDXZMLGAKGVYMD-ZHALLVOQSA-N 390.455 2.567 0 40 GFAB O=C1CCc2cc(S(=O)(=O)Nc3cnc(Oc4ccccc4)nc3)ccc2N1 585433647 OFCRRKPVVPVEOI-UHFFFAOYSA-N 396.428 2.954 0 40 GFAB Cc1cnc(-c2nnc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)o2)cn1 257247015 IWZZFACERKJYLY-INIZCTEOSA-N 385.449 2.751 0 40 GFAB CCCO[C@H]1CCCN(S(=O)(=O)c2cccc3c(C(=O)O)nccc23)CC1 567796423 BHBVVGMPLRSJLF-AWEZNQCLSA-N 392.477 2.903 0 40 GFAB COc1ccc2cc(C(=O)NCC3CCN(C(=O)c4cccnc4)CC3)[nH]c2c1 96120509 MVPYLJVHLIFJQX-UHFFFAOYSA-N 392.459 2.854 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)CC(C2CCC2)C2CCC2)cc1 585123588 HNEURKUEWMIDIO-UHFFFAOYSA-N 399.534 2.502 0 40 GFAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1O 72393045 PNSGFJXNSNJSGR-QGZVFWFLSA-N 392.459 2.926 0 40 GFAB O=C(COC(=O)c1cc(Br)ccc1O)Nc1cccnc1Cl 5742971 PHKGRPCYAUQONC-UHFFFAOYSA-N 385.601 2.999 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)N4CCc5ccccc5C4)nc(C)n32)s1 12115358 ZIHUHPPIQFAAEC-UHFFFAOYSA-N 392.484 2.912 0 40 GFAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCCCCC5)nc4c23)C1 12184168 RLUNDUXZHCMUDD-CYBMUJFWSA-N 399.520 2.633 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 12186063 HSGVDVIPVMPMNM-CJNGLKHVSA-N 391.475 2.799 0 40 GFAB CCn1cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c(C)n1 12362295 QSFHHCSYNCGWNN-QGZVFWFLSA-N 396.944 2.980 0 40 GFAB O=C1C[C@H](C(=O)N2CCCC[C@@H]2CN2CCCCCC2)CN1Cc1cccnc1 19338783 SPQMOLBGUTZBLL-LEWJYISDSA-N 398.551 2.687 0 40 GFAB Cc1c(CN2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cnn1C 19553647 UOSKGSDQLDNTMQ-QGZVFWFLSA-N 385.512 2.968 0 40 GFAB CN1CC[C@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 19587904 BMAKGQJUFCIKLX-KRWDZBQOSA-N 395.482 2.739 0 40 GFAB CCn1nc([C@H](C)C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2c1=O 19716941 YTUMTYITUBODES-INIZCTEOSA-N 384.524 2.901 0 40 GFAB O=C(Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1)NCCC1CCCC1 19749442 RXKMEDOTIBLQMN-UHFFFAOYSA-N 394.472 2.520 0 40 GFAB CCOC(=O)C1=CC2=C(SC)c3cc(C(=O)OCC)cn3[B-](F)(F)[N+]2=C1 604221800 KMPYNWDJJQUHOE-UHFFFAOYSA-N 382.197 2.519 0 40 GFAB O=C(Cc1ccccc1F)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19348087 PKLQYRRELVLBLB-VNQPRFMTSA-N 393.413 2.889 0 40 GFAB O=C(NCC1(N2CCOCC2)CCSCC1)c1ccc2ncsc2c1 1776008474 HKLWOYDZCWBZIR-UHFFFAOYSA-N 377.535 2.624 0 40 GFAB COc1cncc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037989134 WVVWTKJURAAZFS-JOCHJYFZSA-N 381.476 2.878 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc(F)cc2)cc1 4569282 GPTNUEDLJVSSEK-KRWDZBQOSA-N 376.453 2.717 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 9319813 HCNVIANBSJFHRQ-MRXNPFEDSA-N 390.443 2.891 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1cccc(Cl)c1)C2 2055812425 QNLYNLQEWKLSNK-LJQANCHMSA-N 389.908 2.965 0 40 GFAB O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 36700231 QSGXANUUKIPWHK-IBGZPJMESA-N 378.469 2.568 0 40 GFAB O=C(Cc1noc2ccccc12)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575615935 HBWFKTKGHGFZDY-HNNXBMFYSA-N 388.427 2.944 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CCOCC1)c1cccc(Cl)c1 575613272 QVOOKDCFPRHKKH-IBGZPJMESA-N 395.908 2.933 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)cc1OC 4852589 HQGMXPOSNAEBME-UHFFFAOYSA-N 381.436 2.795 0 40 GFAB CCC(CC)NC(=O)CN1CCN([C@H](C)c2nc(Cc3ccccc3)no2)CC1 40086180 TULZAZJGMCPKFS-QGZVFWFLSA-N 399.539 2.644 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)Nc1cc(F)c(N(C)C)c(F)c1 40156147 OFJIWSIQGWLAQO-UHFFFAOYSA-N 377.391 2.798 0 40 GFAB COc1cccc(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1O 29052544 ZMJAQIRUDFAQOT-UHFFFAOYSA-N 399.378 2.830 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 789543 XURWEUMYJXQTST-UHFFFAOYSA-N 390.480 2.851 0 40 GFAB O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 78726115 IDMZVFXHDQRNRT-KRWDZBQOSA-N 398.444 2.528 0 40 GFAB COCC(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C 3839910 LOSXAKVLVWMSPK-IJSKGLLTSA-N 378.494 2.982 0 40 GFAB biogenic,in-vitro O=C1NC(=O)[C@@H]2[C@H]1[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)cc1 4938134 XHBDMFVZFBXFPL-MLHJIOFPSA-N 393.830 2.577 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)C[C@@H](C)O1 2659827 QWQXMYSNXXOFKG-ZIAGYGMSSA-N 392.452 2.876 0 40 GFAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1csc(-c2ccccc2F)n1 102139098 QSRFZGHFHVAAJM-NSHDSACASA-N 384.454 2.578 0 40 GFAB Cc1csc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)n1 7784661 DZQAAQYZJIUUIB-UHFFFAOYSA-N 385.536 2.741 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(OC)cc2)CC1=O 7940167 BHILSCKAKSADHZ-INIZCTEOSA-N 396.443 2.792 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 32776858 FWDDCDULSZIYEL-SFHVURJKSA-N 390.461 2.868 0 40 GFAB COc1ccc(-c2nc(CN3C(=O)N[C@@H](C(C)C)C3=O)cs2)cc1OC 32889035 AOEUZZQMTXNDOL-HNNXBMFYSA-N 375.450 2.904 0 40 GFAB COc1ccc(C2=NN(C(=O)Cn3ccccc3=O)[C@H](c3ccco3)C2)cc1 19296385 GHXYFOVMXXMOIW-SFHVURJKSA-N 377.400 2.828 0 40 GFAB C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 89895260 JVBQWQIDXLGCHL-CJNGLKHVSA-N 394.518 2.924 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@H](O)COC[C@@H]1C[C@@H]3CC[C@@H]1C3)CC2 101244461 CYWXNJFSKDHIKG-YKCBXCCJSA-N 375.509 2.876 0 40 GFAB Cc1cc(NC(=O)COC(=O)Cc2csc(-c3cccc(F)c3)n2)no1 22464430 AFSIKBYBFBPDCI-UHFFFAOYSA-N 375.381 2.970 0 40 GFAB CC(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 27983837 DHJOVQVUVRXSMR-OAHLLOKOSA-N 377.462 2.899 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 47173573 FXBSYNHSLCLXMB-UHFFFAOYSA-N 376.522 2.770 0 40 GFAB Cn1c(Cl)cnc1COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 53919919 RRFLKRQCZQTOSD-UHFFFAOYSA-N 379.888 2.839 0 40 GFAB CCOC(=O)N1CCN(Cn2ncn([C@H](C)c3ccccc3)c2=S)CC1 54421720 ZOYMPPOPXHYFIO-OAHLLOKOSA-N 375.498 2.755 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1F 106152827 CWHZEKZBOCHRHP-JFIYKMOQSA-N 378.488 2.867 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 55441571 CGLRFZYYTDECAO-YJYMSZOUSA-N 390.447 2.571 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 55441573 CGLRFZYYTDECAO-BFUOFWGJSA-N 390.447 2.571 0 40 GFAB CC(C)[C@@H](NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 22065215 CBSPIUHBFLWOQX-JOCHJYFZSA-N 384.499 2.852 0 40 GFAB Cc1nc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)nn1-c1ccc(F)cc1 107540584 YFIJUFWETLVVKV-MOPGFXCFSA-N 379.439 2.890 0 40 GFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCCCCC1 22252888 WNSJTGQIXWUWTR-UHFFFAOYSA-N 384.498 2.506 0 40 GFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 35301057 OUDGHALJWUDKBY-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB CCc1ccccc1N1C(=O)C[C@@H](Sc2nnc3nc(C)cc(C)n23)C1=O 20799418 GICPAZFHYNEGAV-OAHLLOKOSA-N 381.461 2.728 0 40 GFAB COc1ccc(CN(C)C(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1F 23734962 IDFLFJOKDHYUAY-UHFFFAOYSA-N 381.407 2.961 0 40 GFAB Cc1cc(C)cc(NC(=O)C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 79101324 HJVOQJDFBOTVCE-QGZVFWFLSA-N 381.480 2.924 0 40 GFAB CS[C@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58209572 HTCHDTIKINXIAM-IUODEOHRSA-N 376.444 2.946 0 40 GFAB CCCNc1nnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)s1 58331231 MWDJAKJPAJMGCG-UHFFFAOYSA-N 381.508 2.852 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12603756 IWWACIVXRDYWCO-QGZVFWFLSA-N 389.415 2.743 0 40 GFAB CCC(CC)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10512337 NWSQTSMPKZNRIH-UHFFFAOYSA-N 384.406 2.664 0 40 GFAB COc1cc(NC(=O)COC(=O)c2cccc(N(C)C)c2)cc(OC)c1OC 3399904 XHKPXRQJAFGWBV-UHFFFAOYSA-N 388.420 2.574 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(=O)c2ccccc2o1 28289073 WYMQQFBGMUSASN-HNNXBMFYSA-N 384.457 2.658 0 40 GFAB CCn1c2ccccc2c2nnc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc21 3384087 QVNIDUGKRZTRSB-CHWSQXEVSA-N 385.493 2.727 0 40 GFAB O=C(CN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccnn1C1CCCC1 11101214 KTVYMKOVSKEHAE-UHFFFAOYSA-N 395.507 2.831 0 40 GFAB CCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2429633 PHLCOWFXYGQMQU-MRXNPFEDSA-N 387.432 2.729 0 40 GFAB O=C(c1cc(F)cc(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 12788776 OXXJPIMTEXTVNO-UHFFFAOYSA-N 386.445 2.609 0 40 GFAB CCCN1CCCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 48286951 HQTYHJZCYUDOSX-FQEVSTJZSA-N 385.552 2.900 0 40 GFAB O=C(CC1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1)N1CCCC1 48312138 LQOKRLTUMDUNDX-UHFFFAOYSA-N 377.872 2.930 0 40 GFAB Cc1nn(C)c(=O)c(C(=O)OCc2ccc(OCc3ccccn3)cc2)c1C 62580783 VVJMQYCBLZIIKA-UHFFFAOYSA-N 379.416 2.728 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)c1 8267364 ZOUBFZUXCKIXKF-OAHLLOKOSA-N 382.416 2.898 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)cc1C(=O)O 13278725 OVOIHYAMNKTYRA-UHFFFAOYSA-N 383.809 2.919 0 40 GFAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1ccc(Cl)s1 8314561 BYEVGRDECGGQBB-UHFFFAOYSA-N 382.850 2.679 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@H](CO)CCSC)cs2)cc1OC 13731646 HBMIIQBJOOYIHM-ZDUSSCGKSA-N 396.534 2.600 0 40 GFAB O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCCC1 6508415 LNHNLHNQDBZYKP-UHFFFAOYSA-N 378.416 2.823 0 40 GFAB COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1cccc(C)n1)C(F)(F)F 17241675 UAZYRIJNADNWNO-KRWDZBQOSA-N 381.354 2.592 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc(Cl)cc1 4778209 NLRJTAXUCNIDSK-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)C(C)C)cc3)nn12 408619191 GRZVKUJAWBGOBF-UHFFFAOYSA-N 388.522 2.562 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)NC(=O)Nc2ccccc2F)n1C 7236443 GGABMBBAQNSGMP-UHFFFAOYSA-N 389.412 2.963 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1 8941312 FHUIUPIGBSBBQY-CQSZACIVSA-N 399.472 2.800 0 40 GFAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-n2nc(C)cc2C)n1N 7530352 ZMNCIQAWFYLPHQ-UHFFFAOYSA-N 399.524 2.650 0 40 GFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 9367488 ZZICZIWKQVBDTH-UHFFFAOYSA-N 396.309 2.715 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccncc1 9421967 SZQPVPDNWIBFPY-TZIWHRDSSA-N 380.469 2.931 0 40 GFAB Cn1nc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1C1CC1 72296595 FQDYWUJEIXCMCT-IBGZPJMESA-N 388.899 2.754 0 40 GFAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCCc1ccccc1 79479143 RRHWTSYAADLIPD-UHFFFAOYSA-N 384.476 2.754 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2ccc(C)c(C)c2-n2cnnn2)c1 72402729 RZEIUYCUQQMQKU-UHFFFAOYSA-N 390.447 2.672 0 40 GFAB CC(C)CCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95478517 OYOLJRMXAYSFJE-NSHDSACASA-N 393.285 2.841 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(C)C1=O)[C@H]3c1ccccc1 85875987 QTGLBIQKIDRKJE-KNQAVFIVSA-N 389.455 2.881 0 40 GFAB biogenic COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 408555489 XERQGOBEOWAVQY-STQMWFEESA-N 396.896 2.893 0 40 GFAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007559 ALFKEIYBTXIZME-RDTXWAMCSA-N 378.469 2.630 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408702778 CVZAESGGKLXSEA-AWEZNQCLSA-N 390.461 2.559 0 40 GFAB O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNC1CCOCC1 77262608 VBTFHSQADAKFMH-IRFCIJBXSA-N 390.455 2.700 0 40 GFAB biogenic,in-vitro COCCNC(=O)Nc1nnc(SCC(=O)c2ccc(Cl)cc2)s1 35590187 PQTWBXANANVNJI-UHFFFAOYSA-N 386.886 2.934 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362680 LINPXGOHIHWGPV-MRXNPFEDSA-N 380.448 2.597 0 40 GFAB Cc1cc(S(=O)(=O)NCCOc2ccc(F)cc2)ccc1N1CCCC1=O 224376337 FBEZTMHSANNDPH-UHFFFAOYSA-N 392.452 2.618 0 40 GFAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 225901552 MNZJUSUFFPHZGL-WIYYLYMNSA-N 394.471 2.866 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2ccc(NC(=O)N3CCOCC3)cc2)s1 40288614 XCZYMMFCLPRFKL-UHFFFAOYSA-N 389.481 2.853 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 223457399 MSOJJMXLMMMCJH-IBGZPJMESA-N 388.439 2.767 0 40 GFAB CC(C)Oc1ccc(NC(=O)C2(NS(=O)(=O)c3cccs3)CC2)cc1 225930211 FJQHJZCPAKVCSF-UHFFFAOYSA-N 380.491 2.985 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NC4CCCCC4)CC3)nn2)n1 62163386 KUAUQDICOIHXEW-UHFFFAOYSA-N 382.512 2.944 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223262701 XVTDBSPCFYXHKJ-NRFANRHFSA-N 398.503 2.544 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 225939260 LQTABUUEPYTEJA-QRWLVFNGSA-N 386.473 2.859 0 40 GFAB COc1cccc(-n2cc(C(=O)NCCc3cnc[nH]3)c3ccccc3c2=O)c1 95480654 LKMGDCBXBSRVAZ-UHFFFAOYSA-N 388.427 2.695 0 40 GFAB O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@H]3CCNC3)ncc2C1 19368337 FMIWTOAHLHYNLZ-ZDUSSCGKSA-N 393.422 2.546 0 40 GFAB CNC(=O)[C@@H]1CCCc2sc(/C=C/c3cccc(S(C)(=O)=O)c3)nc21 579972410 WJHYISDOMZTJPT-ATWMFIQVSA-N 376.503 2.883 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242614857 PKUDCTXBOKGATM-YQVWRLOYSA-N 393.892 2.788 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)CO)cc1 242543434 JZWLTCJZSATAHA-GUDVDZBRSA-N 379.909 2.780 0 40 GFAB COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1Cl 243317013 LLBANJSCWSICBX-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(C(=O)c1cocn1)CC2 247832748 HYQPSKMQAGNTDK-INIZCTEOSA-N 375.494 2.737 0 40 GFAB CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1nc3cccc(F)c3[nH]1)C2 585081316 BIWOHBHKVAEWPI-UHFFFAOYSA-N 388.468 2.511 0 40 GFAB O=C(NC1(C(=O)O)CCCCC1)c1nc2ccc(Br)cn2c1F 1608404605 MQLDHMHUSRDHGO-UHFFFAOYSA-N 384.205 2.753 0 40 GFAB C[C@@]1(C(=O)Nc2cccc(OCCn3cncn3)c2)COc2ccccc2O1 585123330 UAJYWSQHHFYONN-FQEVSTJZSA-N 380.404 2.526 0 40 GFAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 96374574 IOFNVJYTIVCPIL-UHFFFAOYSA-N 378.288 2.718 0 40 GFAB CN(c1ccccc1NCC(=O)N1CCN(C(=O)C2CC2)CC1)C1CCCC1 83869756 APWIDLUPYJHPDI-UHFFFAOYSA-N 384.524 2.558 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)Cn2c1nc1ccccc12 1548338268 XICNCOZNSSDXQY-OAHLLOKOSA-N 378.432 2.674 0 40 GFAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)N[C@H](C(=O)O)C(C)C 5325285 KAEMMQAXRFDJRK-HNNXBMFYSA-N 375.381 2.771 0 40 GFAB COc1cc(CC(=O)N(C)CCOc2ccc(F)cc2)cc(OC)c1OC 16173466 SEFFWWHZBPJZHM-UHFFFAOYSA-N 377.412 2.931 0 40 GFAB Nc1ccn(COC(COCc2ccccc2)COCc2ccccc2)c(=O)n1 16942594 QNJPMSFJQANFMM-UHFFFAOYSA-N 395.459 2.602 0 40 GFAB COc1ccc(CN2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 19017119 UXUFQUGUYHKEJD-GOSISDBHSA-N 380.492 2.769 0 40 GFAB O=C(NCc1ccccn1)c1cc(C2CCN(Cc3ccccn3)CC2)no1 19401944 CDIGHUUJDJGIII-UHFFFAOYSA-N 377.448 2.774 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(Cc4cnc(C(C)C)nc4)C3)ncc2C1 19454070 FJATYRWMMVUPER-SFHVURJKSA-N 394.523 2.674 0 40 GFAB CC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(OC)cc1 19500484 FQHKJRCWNPPAQA-LFRPXUGBSA-N 387.480 2.763 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nc2c1CCC(=O)N2C 19696313 DUCGQQWRHVXVNZ-HNNXBMFYSA-N 382.439 2.853 0 40 GFAB CCN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929597 JYKRASHOPMPVPR-UHFFFAOYSA-N 390.505 2.639 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc(F)cc2)cc1 5233947 FHMWMYVYCPYJNH-CLUXPMKYSA-N 385.391 2.778 0 40 GFAB COc1ccccc1C(=O)N1CCN(c2ccc(N3CCC(C)CC3)nn2)CC1 10213338 OJRALIAMZVAEEO-UHFFFAOYSA-N 395.507 2.684 0 40 GFAB NCCCOC1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 647872196 FTJWHXMMLOGWHK-UHFFFAOYSA-N 388.508 2.626 0 40 GFAB COc1ccc(CCNC(=O)CN2C(=O)CC(c3ccccc3)CC2=O)cc1C 19571351 KWLAMMVCVDESNO-UHFFFAOYSA-N 394.471 2.595 0 40 GFAB CCNC(=O)COC(=O)/C=C/c1c(C)nn(Cc2cccc(OC)c2)c1Cl 3448868 NHNSEGMPDFMSLO-CMDGGOBGSA-N 391.855 2.594 0 40 GFAB Cc1nc(CO[C@H]2CN(C(=O)Cc3ccc(F)cn3)[C@@H]3CCCO[C@H]23)cs1 1565543128 ZLUKECLHRIJASU-AOIWGVFYSA-N 391.468 2.503 0 40 GFAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)[C@H](C)Oc2ccccc2)[nH]c(=O)c1C 12127130 BTKVXBGWGFOPEY-AWEZNQCLSA-N 393.447 2.856 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)NCc1cccs1)c1csc2ccccc12 575619441 FBUBCMWSGVPTHQ-MRXNPFEDSA-N 387.530 2.998 0 40 GFAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC3CCCC3)C2)n(-c2ccccc2)n1 2332241623 OMWHZUFPHNKGIU-KFKAGJAMSA-N 383.496 2.815 0 40 GFAB COCCn1c(S[C@@H](C)C(=O)N2CCOCC2)nc2cc(Cl)ccc21 40161918 FTLOUQFBNHVWJZ-LBPRGKRZSA-N 383.901 2.676 0 40 GFAB CCn1c(-c2ccco2)nn(CN2CCN(C(=O)c3ccoc3)CC2)c1=S 40149128 DQAGCFDKOPRVTG-UHFFFAOYSA-N 387.465 2.702 0 40 GFAB CC1(C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)cc2O1 40145504 JWZQTMNGLZCFFR-UHFFFAOYSA-N 392.433 2.824 0 40 GFAB CC(C)=CC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 11342991 WGKNOVLYIHUVMN-UHFFFAOYSA-N 386.370 2.990 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 29281105 SXYMEXGADBBRFZ-FMIVXFBMSA-N 377.444 2.934 0 40 GFAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 60319603 JWLNKWHMUZTRBD-UHFFFAOYSA-N 376.453 2.835 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)no1 1447104 JSSYJHRYAFLRHW-CQSZACIVSA-N 384.845 2.569 0 40 GFAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 3356252 GBSNJZRBCGOOGO-LBPRGKRZSA-N 398.937 2.827 0 40 GFAB COc1cc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc(OC)c1 3463584 FROOZXRNUPVFEG-UHFFFAOYSA-N 389.452 2.677 0 40 GFAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Cc2ccccc2)C1=O 3544017 NNPXHOKDKJJZPK-UHFFFAOYSA-N 393.443 2.663 0 40 GFAB CC1=CC[C@@H](C(=O)O)[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1 4263133 XQHIJENHNLBVQI-NEPJUHHUSA-N 394.474 2.695 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2Cl)cc1C 4778282 DJIUGUFPHCZYCK-CYBMUJFWSA-N 396.896 2.640 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COc1cc(C)nc(N2CCCC2)n1 21360583 BYUBKKACWDXBCF-UHFFFAOYSA-N 384.436 2.579 0 40 GFAB COc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1F 29932887 WIGQLYQGJNXSEJ-MRXNPFEDSA-N 378.469 2.628 0 40 GFAB Oc1cccc([C@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)c1 10298067 BIHNXCIYGPZKLB-BBVFFXRHSA-N 385.387 2.739 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314785 MOBRHNSHGSWLPU-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CCCCCNC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10334387 OSJHJAYTXNSZDC-GFCCVEGCSA-N 376.906 2.810 0 40 GFAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1 21624486 MULUJSXDIBRSKR-JSGCOSHPSA-N 394.518 2.973 0 40 GFAB C[C@H](NC(=O)Cc1csc(N2CCNC2=O)n1)c1ccccc1OC(F)F 32930985 ARGLSTSPVWDKBF-JTQLQIEISA-N 396.419 2.694 0 40 GFAB COc1ccc(CN(C(=O)CCc2c(C)nc(SC)[nH]c2=O)C2CC2)cc1 22294384 ZYVXPRUDKIDNKH-UHFFFAOYSA-N 387.505 2.933 0 40 GFAB O=C1[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C(=O)N1c1ccc(Br)cc1 103519945 PDXVZOZPMHGWND-DZGCQCFKSA-N 389.180 2.881 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1C 22514536 MGTGRRXNPUXIBD-UHFFFAOYSA-N 376.434 2.504 0 40 GFAB COc1cccc2[nH]c(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)cc12 12389954 NFQDBLVNLBSPBH-UHFFFAOYSA-N 395.415 2.706 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(Cc2ccccc2F)CC1 23442964 IIFHLDUMNHAPGY-LJQANCHMSA-N 399.491 2.973 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NCC(=O)NCCC2=CCCCC2)cc1 23473064 XFNJKAGIHLRNRK-QFIPXVFZSA-N 385.552 2.965 0 40 GFAB O=S(=O)(NC[C@H]1COc2ccccc2O1)c1ccc(Br)s1 25652436 HJDMBOCVIYCDNL-VIFPVBQESA-N 390.280 2.629 0 40 GFAB CSc1nc(C)c(CCC(=O)NCc2ccnc(-n3ccnc3)c2)c(C)n1 54628426 PWVRDKIOZSPEGB-UHFFFAOYSA-N 382.493 2.645 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)N[C@H](C)c1ccccc1)O2 106360165 BMDVEIQHHAEJCY-BEFAXECRSA-N 388.489 2.790 0 40 GFAB COc1ccc(OC)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 25053947 WTMMJCMTQPKGMB-NEPJUHHUSA-N 384.436 2.551 0 40 GFAB CC(C)N(CCN(C(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1)C(C)C 12569114 STCGHBAVVZZCDW-GOSISDBHSA-N 381.542 2.826 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 12539374 YVQMXZUAISXEEU-HUUCEWRRSA-N 375.387 2.912 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)CC2)c1 12526648 PQEQUZDNFJQUBZ-UHFFFAOYSA-N 388.471 2.614 0 40 GFAB CCN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(C)(=O)=O 20030575 YNTCTVHMKULLRK-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)C4CCCC4)CC3)cccc2c1 12539859 XECMDAGCBJHKKI-UHFFFAOYSA-N 387.505 2.566 0 40 GFAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccncc2)C3)c(OCC)n1 100149666 HPBIAFFXIYBRAX-ROUUACIJSA-N 398.507 2.789 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 3258988 YFGGJQQRYXFLKI-UHFFFAOYSA-N 379.416 2.771 0 40 GFAB O=C(NCCCN1CCc2ccccc21)c1ccc(CN2CCCC2=O)cc1 29521522 HNNNRVYDBABNAH-UHFFFAOYSA-N 377.488 2.992 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 24184327 VWHBQROREUTHAN-NEPJUHHUSA-N 378.416 2.932 0 40 GFAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12605084 CMDXHIAZFHLOMZ-UHFFFAOYSA-N 384.404 2.532 0 40 GFAB Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cccn3)nc2)N(C)C)cc1 58264958 FGOZJCBYBYPBOM-LJQANCHMSA-N 378.480 2.678 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccncc4)C[C@H]32)cs1 306133605 MQPYFGJHYIKPHX-RTBURBONSA-N 379.489 2.730 0 40 GFAB COC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 48007683 DEWCUFXUDDRORX-QGZVFWFLSA-N 387.436 2.570 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cc(Cl)c2c(c1)OCCCO2 10447349 OCKSXKCZYLIGQT-UHFFFAOYSA-N 399.834 2.597 0 40 GFAB CCOCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 2232917 UIDAHLICDZNEJR-NSHDSACASA-N 387.509 2.929 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1F 2396491 CDFMPYKVLGDIEK-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB Cc1cc(CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)no1 25136737 HRIBNDPUIGOTDW-UHFFFAOYSA-N 377.391 2.772 0 40 GFAB COc1cc(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 12982346 LDTMXTUAGDEMBW-CYBMUJFWSA-N 387.432 2.904 0 40 GFAB COC(=O)C1(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CCCCC1 12920238 PMHFMAQGDZYOKY-CMDGGOBGSA-N 377.437 2.718 0 40 GFAB O=C(NCC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2ncccn2)C1 63080413 JDDSHSLPOCGYOQ-NRFANRHFSA-N 393.535 2.721 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCCc3ccccc3)cc2s1 13691182 KJSNDFWEKBWIDL-UHFFFAOYSA-N 375.475 2.640 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1Cl 4275609 ZZEXILUHBFSHFY-YCCFLXJFSA-N 397.855 2.983 0 40 GFAB O=C(NCCCn1cncn1)c1[nH]c2ccc(Br)cc2c1Cl 65521308 FGAXUYYONRGVIO-UHFFFAOYSA-N 382.649 2.995 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)C(=O)NCC1(c2ccccc2)CCCC1 5352644 UYEJDQGUXXMHPO-GOSISDBHSA-N 394.471 2.571 0 40 GFAB CCc1ccc(NC(=O)[C@@H](Cc2ccc(OC)cc2OC)c2nn[nH]n2)cc1 5444920 TZTPJWKGWKKMMI-KRWDZBQOSA-N 381.436 2.744 0 40 GFAB COc1cccc(NC(=O)CCNC(=O)N2CCn3c2nc2ccccc23)c1 6672565 LWNBCWNJSZPIDM-UHFFFAOYSA-N 379.420 2.603 0 40 GFAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N1CCC[C@H]1CO 8765467 PUEDFGPBUYVRPB-INIZCTEOSA-N 379.412 2.822 0 40 GFAB biogenic COc1cccc([C@@H](CN[C@@H](CCO)C(=O)O)c2c[nH]c3ccccc23)c1OC 8749696 PIOBKZPTFFDGSU-MJGOQNOKSA-N 398.459 2.742 0 40 GFAB O=C(OC[C@@H]1OC(=O)C(F)(F)[C@H]1OC(=O)c1ccccc1)c1ccccc1 4975966 SHHNEUNVMZNOID-GJZGRUSLSA-N 376.311 2.630 0 40 GFAB O=C(O[C@@H]1CCOC1=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 5985633 FDDLSKQIZIJKKW-DPCFLFMUSA-N 387.413 2.572 0 40 GFAB O=C(O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 7059954 TZQWMMNARIPAFS-UHFFFAOYSA-N 396.852 2.676 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O 15842700 VCRGIFSJVFQUKL-LBPRGKRZSA-N 392.864 2.583 0 40 GFAB O=C(c1ccc(F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7671587 IGNKVBHOHCQSCQ-MRXNPFEDSA-N 381.407 2.884 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 7623803 FAMOYKJGSSOQIS-AWEZNQCLSA-N 395.411 2.972 0 40 GFAB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996302 NCFCCQWNAINUPL-HNNXBMFYSA-N 399.491 2.831 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC(F)F 84037412 BIGADBIRMVIQAA-WCFLWFBJSA-N 394.374 2.575 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CN(c1nc(C)nc2c1CCN(C)CC2)CC3 72480094 JJWCIEPDOVNZKM-UHFFFAOYSA-N 377.492 2.868 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1C[C@H]1c1ccccc1Cl 84501993 BYVFPJSAZPOTQV-GJZGRUSLSA-N 389.883 2.814 0 40 GFAB Cc1ocnc1C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 95463935 UIPSCRCWWFOBIN-CYBMUJFWSA-N 392.209 2.653 0 40 GFAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 95469802 VRXQKZRGHRZMNK-UYAOXDASSA-N 380.444 2.910 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c1C 95964179 YBQDYRIKHGHHLB-CYBMUJFWSA-N 389.481 2.533 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C)n(C)n1 95998496 DHQCXGOHJBMSEE-FQEVSTJZSA-N 393.491 2.804 0 40 GFAB Cc1nc(N2CCN(c3nc(N)ns3)CC2)c2c(CC(C)C)csc2n1 79061716 KSXOGGVZQFBCJK-UHFFFAOYSA-N 389.554 2.959 0 40 GFAB CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)COc3cccc(C)c3)c2=O)cc1 60363771 FXGDBYXOLHPONF-FQEVSTJZSA-N 380.444 2.898 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 120037135 MQNAPHIQTNOJBC-OTWHNJEPSA-N 394.537 2.554 0 40 GFAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCCc1ccc(Cl)cc1 62006782 RHMYBCUEKHKOGO-UHFFFAOYSA-N 378.885 2.587 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)c(C)c1 70968230 BBUSFGQURJCUDR-FQEVSTJZSA-N 388.489 2.530 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)c1 561591750 FJPMDIBRGPUWFV-MRXNPFEDSA-N 398.438 2.751 0 40 GFAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(c3nsc4ccccc34)CC1)C2 225520419 RNFLOMZLXCZBEL-CQSZACIVSA-N 381.505 2.782 0 40 GFAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(-c3ccsc3)cc2)CC1 225619473 PVXNIBIHEOXBHU-UHFFFAOYSA-N 378.519 2.817 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 229942872 MOQSAHOVJOVCIP-FZONSQQESA-N 392.455 2.767 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 41153028 UXTMCQXJIJTTKV-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(Br)cc2C)n1 227116400 LHPRIBJJNJKWLH-UHFFFAOYSA-N 386.315 2.939 0 40 GFAB O=C1CCCN1c1ccc(Cc2nc(CS(=O)(=O)c3ccccc3)no2)cc1 585084388 UOKUXALTCQGOHN-UHFFFAOYSA-N 397.456 2.761 0 40 GFAB Cn1cc(-c2cccc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)cn1 257291360 QGPSYROTCRTDCY-HXUWFJFHSA-N 380.423 2.764 0 40 GFAB O=C(O)C[C@H](NC(=O)c1nc[nH]c2nccc1-2)c1ccc(Br)cc1 1601906798 FSOPVDVKYHLXNE-LBPRGKRZSA-N 389.209 2.618 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3c3cccnc3)c(F)cc2N1 614602456 WVSZQHUYZRLPFB-INIZCTEOSA-N 375.425 2.631 0 40 GFAB O=c1c2c(ncn1Cc1cccc(Br)c1OC(F)F)CCOC2 647166073 XCFXEZGFAYYEHX-UHFFFAOYSA-N 387.180 2.728 0 40 GFAB O=C(NCc1cccc(OC2CC2)c1F)N[C@@H]1CCCN(c2ncccn2)C1 660427757 YKNXREBOLZPBEM-OAHLLOKOSA-N 385.443 2.625 0 40 GFAB C[C@@H](COc1c(F)cccc1F)NC(=O)Nc1ccc2c(c1)C(=O)NCC2 666093134 QMCIQIBIYKMYDE-NSHDSACASA-N 375.375 2.840 0 40 GFAB Cc1ccn(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3F)cc2)n1 680132857 XHHUBSTUIDERMY-IBGZPJMESA-N 378.407 2.633 0 40 GFAB CCN1CC2(CCN(C(=O)c3ccc(Cl)c(OC)c3)CC2)[C@H]2COC[C@H]21 1615554022 VWHQGAJXXDKBRV-DOTOQJQBSA-N 378.900 2.922 0 40 GFAB O=S(=O)(Cc1ccccc1)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121567 BRPNDZKEBDNGMQ-UHFFFAOYSA-N 387.427 2.900 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N(Cc2ccsc2)Cc2ccco2)CC1 42382068 AATPBPVANQRLDA-UHFFFAOYSA-N 382.507 2.542 0 40 GFAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)on1 12118456 MCUGFCGLGGQNEI-INIZCTEOSA-N 380.452 2.660 0 40 GFAB O=C(C1CCCC1)N1CC[C@@H](c2nc(O)c3c(n2)CN(C2CCCC2)CC3)C1 19014522 NOFBMCPUYPLBQD-MRXNPFEDSA-N 384.524 2.989 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)[nH]n1 19451817 MUZBFVBNVKIQGR-KRWDZBQOSA-N 378.436 2.656 0 40 GFAB CCOc1cc(CCC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)on1 19532313 BBCYOBRZGUDZKX-UHFFFAOYSA-N 383.452 2.694 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnc(-c2ccc(Cl)cc2)nc1 19655029 VXEWJJFXFIHDHC-SFHVURJKSA-N 392.846 2.849 0 40 GFAB CC(=O)N[C@@H]1CNC2(CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1 19704147 NALUVFCXAPJDGX-IBGZPJMESA-N 377.488 2.826 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cc(F)ccc1F 19930812 SVPPQHJWEBJPCM-UHFFFAOYSA-N 380.416 2.977 0 40 GFAB COc1ccc([C@@H](CC(=O)NC2CC2)N(C)S(=O)(=O)c2ccccc2)cc1 19935775 BVJZBTSQJJKPTD-LJQANCHMSA-N 388.489 2.726 0 40 GFAB CN(C)CC(=O)N1CCC2(CCCCCOc3ccccc3C(=O)NC2)CC1 643552015 PMFBUXNZWANHIQ-UHFFFAOYSA-N 387.524 2.540 0 40 GFAB COc1cc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)ccn1 12254870 KMAINDDWCVLJES-UHFFFAOYSA-N 390.443 2.757 0 40 GFAB COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc1F 1888890122 TURWCCIGVRPZGG-IYBDPMFKSA-N 396.466 2.630 0 40 GFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccco2)c2ccccc21 4271959 AASDFZFPBSVQRV-UHFFFAOYSA-N 381.432 2.602 0 40 GFAB COc1cccc(N2C(=O)N(c3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 4393506 AVOVBEHIBDUZMR-DLBZAZTESA-N 392.864 2.961 0 40 GFAB COC(=O)c1c(N[C@](OC)(C(=O)OC)C(F)(F)F)sc2c1CCCC2 4653834 OORMECJSZFSIKV-AWEZNQCLSA-N 381.372 2.903 0 40 GFAB CCc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCC3)cc1 9520786 ZLDVETFKEUTZCD-UHFFFAOYSA-N 391.475 2.736 0 40 GFAB Cc1nnc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)s1 11737831 PIHXIVUAJCUNTQ-UHFFFAOYSA-N 386.462 2.620 0 40 GFAB CCCCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(=O)n(C)c(=O)n(C)c21 11845414 RRNNONMEZSZWAE-UHFFFAOYSA-N 388.855 2.745 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1 21756734 WDARGNINJKRUNH-UHFFFAOYSA-N 388.489 2.975 0 40 GFAB CSCCn1/c(=N\C(=O)c2cc(C)no2)sc2cc3c(cc21)OCCO3 101315407 JXBXDVPDTWCCFR-ISLYRVAYSA-N 391.474 2.875 0 40 GFAB CCN1CCN([C@H](c2cccc(F)c2)c2sc3nc(C)nn3c2O)CC1 20216016 CHBQSNOZAOAQTM-OAHLLOKOSA-N 375.473 2.671 0 40 GFAB COc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1OC 2399239 ZKBCOUDEOIAIPD-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)CCC(=O)O)cc2)s1 17080617 MZQKTHMGSBLTEP-VIFPVBQESA-N 394.478 2.769 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 40121597 CHLRWPKAAWENLY-IFXJQAMLSA-N 384.480 2.684 0 40 GFAB O=C(Nc1cccc(Cn2cccn2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40133490 MUWKDOKONRPSRW-GOSISDBHSA-N 381.480 2.798 0 40 GFAB Nn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 2664500 FCDBNRVRTXUKCO-UHFFFAOYSA-N 385.880 2.994 0 40 GFAB CCn1ncc(CNC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)c1C 2795344 NZNRRLUXUHJPEM-UHFFFAOYSA-N 378.411 2.990 0 40 GFAB CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 60352838 DDQFVDRBNAZWLV-QWHCGFSZSA-N 377.242 2.883 0 40 GFAB CC1=CC[C@H](C(=O)O)[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1 4263130 XQHIJENHNLBVQI-NWDGAFQWSA-N 394.474 2.695 0 40 GFAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)N1CCc2ccccc21 2658919 YDXMRGBCLCDJIV-QGZVFWFLSA-N 382.441 2.622 0 40 GFAB aggregator CN(CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Cl)nn1 32795899 NIPOHXDBQPMNKB-UHFFFAOYSA-N 384.871 2.849 0 40 GFAB CCOc1ccc(C(C)=O)cc1COC(=O)CN1C(=O)c2ccccc2C1=O 6354284 RFTMTPWXWZXERU-UHFFFAOYSA-N 381.384 2.627 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 6408675 DAMDHGBIUUGYEP-NSHDSACASA-N 398.868 2.663 0 40 GFAB COc1cccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 7682226 WCURHVDESUMALQ-MRXNPFEDSA-N 398.459 2.645 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCOc1ccccc1 32901561 YUNJGYCQMKOQMU-UHFFFAOYSA-N 390.461 2.544 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c1C 2725883 CMVAKPOPRHSSRO-SOFGYWHQSA-N 399.399 2.976 0 40 GFAB COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)NC(C)C 26112196 QEYOGWFNGOBBPW-UHFFFAOYSA-N 388.489 2.580 0 40 GFAB COc1ccc(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)c(OC)c1 47539331 BDNTVOYAARFKST-UHFFFAOYSA-N 393.484 2.631 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C)CC1 23242113 NRQVQKUCPGXVAG-MRXNPFEDSA-N 386.323 2.958 0 40 GFAB CC(C)n1ncc2c(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc(C3CC3)nc21 23804962 BWBPAQLEYRHXNE-KRWDZBQOSA-N 397.523 2.826 0 40 GFAB Cc1cccc(C(=O)N[C@H](C)C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c1 54778344 OFVLBLMNYWKWTK-MRXNPFEDSA-N 396.491 2.960 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)NS(=O)(=O)N1CCc2ccccc21 105769017 UMFUVLQFLWTBEJ-UHFFFAOYSA-N 383.429 2.687 0 40 GFAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 22377846 FOLWKLKOHSHJFY-OAHLLOKOSA-N 376.478 2.729 0 40 GFAB COC(=O)[C@@](NCCc1ccccc1)(NC(=O)c1ccccc1)C(F)(F)F 19938847 WCUOVPJAXUYEGP-GOSISDBHSA-N 380.366 2.680 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1Cl 24999294 UGOLSKLFPXBIAI-UHFFFAOYSA-N 391.840 2.545 0 40 GFAB Cc1ccccc1Nc1nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c(=S)s1 12594551 VMXYEOOQSZPFBF-GFCCVEGCSA-N 384.552 2.803 0 40 GFAB O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 1457802 HDHFEEPAHHMVCV-HXUWFJFHSA-N 377.488 2.888 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2Cc2ccccc2)cc1 25359581 UPPZBKUTCHTHHC-FQEVSTJZSA-N 395.503 2.611 0 40 GFAB C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@@H](c1ccccc1)N1CCOCC1 25701931 FHUVOJOTRPMAQI-AOMKIAJQSA-N 392.455 2.985 0 40 GFAB CCOC(=O)CCc1c(C)c2ccc(O[C@@H](C)C(=O)OC)c(C)c2oc1=O 2094063 VVDNRLWDLUBTIB-ZDUSSCGKSA-N 376.405 2.846 0 40 GFAB biogenic COc1ccc(CCC(=O)Nc2ccccc2NS(C)(=O)=O)cc1OC 24884821 IAHWWJJNVFXDJL-UHFFFAOYSA-N 378.450 2.647 0 40 GFAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(S(C)(=O)=O)cc1 10309879 ZMFKQKHPRXGEBC-LLVKDONJSA-N 392.502 2.991 0 40 GFAB COCC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc(SC)cc1)CCO2 306137220 QPIMXOQZBNOCAC-UYAOXDASSA-N 378.538 2.685 0 40 GFAB O=C(Cn1cnc2c(N3CCCC3)ncnc21)NC12CC3CC(CC(C3)C1)C2 89885493 PCOIFPWYZGRUCM-UHFFFAOYSA-N 380.496 2.512 0 40 GFAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCOCC2)nc1 10720012 MILZPHDXXRKTCT-UHFFFAOYSA-N 392.459 2.822 0 40 GFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N(C)C2CCCCC2)c1OC 3329041 PACJABBJSAVKIA-MDZDMXLPSA-N 383.466 2.755 0 40 GFAB O=C(CN1CCN(C(=O)C2CCCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 36447061 ZGSGWVPUNAFNLR-UHFFFAOYSA-N 399.413 2.858 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F 48332695 MZJKCQNMRWPEOF-UHFFFAOYSA-N 375.324 2.540 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2nc(-c3cccs3)oc2=O)C1 12888881 FSBMLPBDZWHLDQ-CQSZACIVSA-N 384.461 2.873 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 12882370 BRAMTXURKGICPV-YOEHRIQHSA-N 390.480 2.765 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2ncc(-c3ccc(F)cc3)o2)c1=O 12913544 AGGPFNLHZLCZRP-UHFFFAOYSA-N 381.285 2.808 0 40 GFAB O=C(NC1CCCC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 12935719 QLJRXLLKABTGFI-FQEVSTJZSA-N 384.501 2.861 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)c1C 13041859 PAGUJHYKDULQGP-UHFFFAOYSA-N 386.517 2.810 0 40 GFAB Cc1cccc(Oc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)c1 13511148 IOTCGJSAZLFJSP-UHFFFAOYSA-N 376.416 2.583 0 40 GFAB CNC(=O)NC(=O)[C@H](Sc1nnnn1-c1cc(C)ccc1C)c1ccccc1 6099003 SEAULHMGQPFDFE-MRXNPFEDSA-N 396.476 2.568 0 40 GFAB O=C(CSc1nc(O)c2c[nH]nc2n1)Nc1ccc(Br)cc1 4249752 PAUJUHDLJXTVRJ-UHFFFAOYSA-N 380.227 2.552 0 40 GFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCCCCC1)S(C)(=O)=O 13845204 YGQPAYIBHLFICQ-ZDUSSCGKSA-N 388.917 2.906 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 6256270 SIHXFZVSNXYFGU-AWEZNQCLSA-N 391.493 2.693 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(OC)c2)cc1 5279568 YEQZONRTYSBYHM-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 14119577 FPGHXOVYHXXBEV-KRWDZBQOSA-N 383.835 2.929 0 40 GFAB FC(F)(F)Cn1c(SCc2nnnn2C2CC2)nnc1-c1ccncc1 65695069 OQWPPRCUAZNVDF-UHFFFAOYSA-N 382.375 2.516 0 40 GFAB COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc(OC)c1 5681660 BLGSJFNIBWQVOZ-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)O)C3)c(=O)oc2c1C 9576230 QFQWHCAVHSEGMD-AWEZNQCLSA-N 387.432 2.674 0 40 GFAB O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6839416 ZGLXWHWOSVVSPO-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB Cc1cc(C)c2c(c1)N(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)CCC2 66854759 JITUURBTDBEZIY-UHFFFAOYSA-N 397.504 2.635 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc(C(=O)OC)c1 15012547 ZPNLAIOAGBOSNX-UHFFFAOYSA-N 396.399 2.639 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCNC1=O 5866590 VXMABCLAFPIHMA-UHFFFAOYSA-N 375.454 2.687 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C2=O)cc1 7278075 HCFPKVRVHFNYEH-YCRPNKLZSA-N 389.496 2.793 0 40 GFAB CCC(=O)c1cc(Cl)ccc1OCC(=O)N(C)CC(=O)NCc1ccco1 7777562 HAJUWOGMEZQRBI-UHFFFAOYSA-N 392.839 2.679 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(F)cc4)ccn3n2)cc1 9321123 LKGYGLVMIAGTQI-UHFFFAOYSA-N 390.418 2.927 0 40 GFAB Cc1ccc(NCC(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N(C)C 7973586 GIDHSSXVENTNBE-UHFFFAOYSA-N 375.494 2.913 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8257697 VINOGKJLRIQNPW-SECBINFHSA-N 384.465 2.779 0 40 GFAB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccco1 8391163 QZEYWKQBDBWURQ-RTGRKSDTSA-N 394.518 2.608 0 40 GFAB CCc1ccc2c(COC(=O)c3ccccc3-n3cnnn3)cc(=O)oc2c1 9839320 PHARSJKISSPFAO-UHFFFAOYSA-N 376.372 2.688 0 40 GFAB Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F 84183223 QUKPVCSSHBCYPG-DNVCBOLYSA-N 378.394 2.836 0 40 GFAB O=C(CCCSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccc(F)cc1 21623590 JPUHGTFIQCSZMM-GFCCVEGCSA-N 398.481 2.941 0 40 GFAB Cc1nc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)cc2o1 95461215 VZLBTYJSKUEKEV-GDBMZVCRSA-N 383.404 2.782 0 40 GFAB COc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)c(OC)c1 408618416 GGFAGOAIIRYWLL-UHFFFAOYSA-N 398.525 2.699 0 40 GFAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 20484287 KNEJYSGCCKFELF-MRXNPFEDSA-N 390.505 2.817 0 40 GFAB Cc1nn(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1Cl 27982011 GNHNHEXDXHGULN-UHFFFAOYSA-N 398.897 2.805 0 40 GFAB C[C@@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC1)c1cccc(S(N)(=O)=O)c1 555843211 BHOYRCIEPJMKOS-GFCCVEGCSA-N 394.880 2.776 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 2155107 SQJFPBQPHGBKIT-ZPMCFJSWSA-N 388.508 3.000 0 40 GFAB biogenic COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1cccnc1)CC3 36369938 SRUDQNALYDCAEU-UHFFFAOYSA-N 378.432 2.875 0 40 GFAB biogenic COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 225053516 ACJQDKWWAKBGNH-UHFFFAOYSA-N 399.424 2.937 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1 225948335 OMQMNJAFFVPXGC-UZLBHIALSA-N 386.473 2.546 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC1=CCCCC1 224859402 YEEPXWQCWXCQRZ-UHFFFAOYSA-N 394.537 2.885 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 40478606 JDDVSQXIRLTJMS-UHFFFAOYSA-N 387.386 2.736 0 40 GFAB CC(C)OCc1ccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 48344434 WPGZZASVLPTICL-UHFFFAOYSA-N 381.476 2.972 0 40 GFAB COc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225680405 QBJZAYJBHYPVLD-UHFFFAOYSA-N 392.502 2.520 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637942 KJNGWIASFHIRJZ-SFHVURJKSA-N 392.477 2.887 0 40 GFAB Cc1nc2nc3ccn(-c4ccn[nH]4)c(=O)c3c(-c3ccccc3Cl)n2n1 40398418 VPYJECPNACLFSY-UHFFFAOYSA-N 377.795 2.780 0 40 GFAB Cc1nc(-c2ccc(C)c(NC(=O)c3cncc(N4CCOCC4)c3)c2)n[nH]1 578487811 VUMCLXOYGFMIHJ-UHFFFAOYSA-N 378.436 2.572 0 40 GFAB Cc1ccc(CCNC(=O)[C@]2(C)CCCN(C(=O)CCn3ccnc3)C2)s1 257250851 JOHTXWOXMSFDSW-HXUWFJFHSA-N 388.537 2.631 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257317999 VMBUYTMSBMQTGI-HXUWFJFHSA-N 378.407 2.820 0 40 GFAB C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 607589055 QSIGYYWRXSMJCI-QAPCUYQASA-N 392.455 2.784 0 40 GFAB O=C(O)[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)CN1 657220335 HEQTYTSAHUXCGL-CJNGLKHVSA-N 389.839 2.705 0 40 GFAB CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc2ncsc2c1 660151471 SMNGRAREMDLFQI-CQSZACIVSA-N 395.550 2.560 0 40 GFAB CN(CC1=CCCOC1)C(=O)NCc1cc(Br)cc2c1OCC2 1616044160 CDKVRCRGHLXDBC-UHFFFAOYSA-N 381.270 2.872 0 40 GFAB CCCOc1ccc(S(=O)(=O)NC[C@@H](OCCO)c2ccc(C)cc2)cc1 96338075 FJHGFVJCORCLCY-HXUWFJFHSA-N 393.505 2.812 0 40 GFAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)OC 96385222 CPJXSPMLVCYHJN-INIZCTEOSA-N 380.803 2.930 0 40 GFAB Cc1c(-c2nc(-c3cccc(Br)c3)no2)nnn1[C@@H]1CCNC1 656559037 JCMQEAYEWPKFQY-GFCCVEGCSA-N 375.230 2.600 0 40 GFAB CN(C)c1ncn(-c2cccc(NC(=O)NC[C@H]3CCN(C(C)(C)C)C3)c2)n1 585101463 UBZOHIAZEDJPCU-OAHLLOKOSA-N 385.516 2.575 0 40 GFAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 46147542 GDUXBECIWOUMIQ-IRXDYDNUSA-N 377.554 2.896 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)cn1 54412387 KQOSMKCMJSPZJK-AWEZNQCLSA-N 379.413 2.660 0 40 GFAB CCOC(=O)CN1C(=O)CN(C(=O)Nc2ccc(OC)cc2)c2ccccc21 85347932 SAEKECDIZQGRAV-UHFFFAOYSA-N 383.404 2.643 0 40 GFAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCc3c(F)ccc(C(=O)O)c3C2)C1 630238732 MPQSTLHUWGONSZ-ZIAGYGMSSA-N 390.455 2.693 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(NC(=O)c2ccco2)cc1 5560960 NHQQRNGGPHZPSM-UHFFFAOYSA-N 395.396 2.958 0 40 GFAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)c3snnc3C)nn2c1O 12161781 QJZOJPDNKKCKHL-AWEZNQCLSA-N 386.481 2.833 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1 12481250 PTSWQKYATJYTDM-UHFFFAOYSA-N 380.416 2.548 0 40 GFAB Cn1c(=O)n(CCC(=O)NCCSCc2ccccc2F)c2ccccc21 12824256 HVBOEWZDZDHMBP-UHFFFAOYSA-N 387.480 2.919 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 12918330 QSPMCUAHRDTWIQ-JZXOWHBKSA-N 395.521 2.785 0 40 GFAB Cc1nn(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)c(C)c1C 13009009 LCJMZITZAANMND-UHFFFAOYSA-N 382.493 2.611 0 40 GFAB COc1ccc(NC(=O)CSc2nc(Cl)nc3nc[nH]c23)c(OC)c1 13569762 HLHOJHFBCYLOOQ-UHFFFAOYSA-N 379.829 2.754 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)n1C 19457735 WSSCCLNEPJXLDW-CZUORRHYSA-N 384.509 2.887 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccs3)o2)cn1 19525051 KWCYUCJYFPDSIA-GFCCVEGCSA-N 379.467 2.540 0 40 GFAB COc1ccc(CN2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 19552208 JEBWQWJFFQZYIR-KRWDZBQOSA-N 392.459 2.839 0 40 GFAB Nc1ncc(-c2ccc([C@H]3CCCN3C(=O)CC3(O)CCCCC3)nc2)cn1 19688984 VGQWOFWFBORNHN-GOSISDBHSA-N 381.480 2.870 0 40 GFAB CNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)COC)CC1 19700454 UHYBTNFSHPYHEJ-UHFFFAOYSA-N 380.488 2.897 0 40 GFAB Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCCCN3C)n2CC1 19706455 DPBNNPFAFAHYTG-OAHLLOKOSA-N 386.500 2.553 0 40 GFAB O=C(c1ccc(Br)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4320160 WLPSPUKVMSTCQR-CQSZACIVSA-N 398.278 2.872 0 40 GFAB O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(OC(F)(F)F)cc1 159286437 DMDYARGQWLOXTO-GFCCVEGCSA-N 387.383 2.537 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)NC1CCCC1 35313031 UYEGJULUJJYSLP-MRXNPFEDSA-N 387.509 2.670 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408600883 DBWCSJMRCCJOOB-INIZCTEOSA-N 390.505 2.973 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 23755971 QFPJATACFLCIMY-UHFFFAOYSA-N 391.493 2.942 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(N2CCOCC2)ccn1 23762483 UHUGLXNRCBEYJT-UHFFFAOYSA-N 380.492 2.791 0 40 GFAB Cc1ncnc(N2CCC[C@H](COc3ncc(Br)cn3)C2)c1C 1776000916 PVPBIYHVFYKDKF-ZDUSSCGKSA-N 378.274 2.941 0 40 GFAB CN1c2ccccc2N(CCNC(=O)c2cccc3ccccc23)S1(=O)=O 244933320 CMEJJYJVWJDVNH-UHFFFAOYSA-N 381.457 2.771 0 40 GFAB COc1ccc(CN2CCO[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c(C)c1 2037984097 PWQWXUVIRWJTNE-QHCPKHFHSA-N 396.487 2.638 0 40 GFAB CCOc1cc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)c(C)cc1OC 2037984292 WOEBLMYFJLANKV-NRFANRHFSA-N 376.497 2.616 0 40 GFAB COc1cncc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037988992 QJNIYQRUOLZVJZ-OAQYLSRUSA-N 385.439 2.627 0 40 GFAB C[C@@]1(C(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)CC=CCC1 2055835272 IXPFEMXPBKCYHF-YADHBBJMSA-N 396.491 2.582 0 40 GFAB CN1CCN([C@H](CNC(=O)c2cccc3ccccc23)c2cccn2C)CC1 21153081 ZURGLPXAWHIJCU-JOCHJYFZSA-N 376.504 2.897 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 28609460 YQQXMSAUNAOAPO-SFHVURJKSA-N 380.444 2.834 0 40 GFAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCC1)c1ccc(-n2cccn2)cc1 225594846 LJTQNJUWIJUISZ-SFHVURJKSA-N 388.518 2.659 0 40 GFAB O=C(CSCc1ccccc1)N1CCN(C[C@@H](O)c2cccs2)CC1 49031330 CEFITWZNFMHPBP-QGZVFWFLSA-N 376.547 2.859 0 40 GFAB Cc1ccc(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)c(O)c1 40017253 MPDUVBLIDXSYKA-UHFFFAOYSA-N 389.458 2.564 0 40 GFAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 40052691 JEUPBXIGAXLAMX-ZDUSSCGKSA-N 377.462 2.941 0 40 GFAB CC(=O)c1ccc(OCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 40001111 WWAOWGAEAYRKIM-QGZVFWFLSA-N 378.432 2.717 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 31208323 KQOXJNJUPOYTQC-GOSISDBHSA-N 396.535 2.646 0 40 GFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2ncccn2)CC1 31864403 JMXIXLFGGYBQDT-UHFFFAOYSA-N 379.489 2.795 0 40 GFAB O=C(C[C@@H]1C=CCC1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8133925 YBHVJUDTQQDMQY-MRXNPFEDSA-N 375.428 2.870 0 40 GFAB O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2ncnn12 16741747 FRZBNSATMZZQEU-YVLHZVERSA-N 389.415 2.691 0 40 GFAB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 1338786 FPGXANAWFMGGMK-UHFFFAOYSA-N 396.476 2.956 0 40 GFAB C[C@@H](Sc1nc(=O)cc(N)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 4906325 ZDURLRCVIOLVKZ-GFCCVEGCSA-N 391.456 2.905 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)Cc1ccccc1 6282156 WVXPBMRHNBWAOG-UHFFFAOYSA-N 390.505 2.719 0 40 GFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1C[C@@H](C)C[C@H](C)C1 108321913 ZUHXWDDYAWPAQV-BQFCYCMXSA-N 378.538 2.808 0 40 GFAB CC(=O)N1CCC(C(=O)Nc2n[nH]c(SCc3ccc(Cl)cc3)n2)CC1 32988011 AWJABJRZYXHPGW-UHFFFAOYSA-N 393.900 2.947 0 40 GFAB Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 41616209 IKVFKDOJNFBZMQ-UHFFFAOYSA-N 383.355 2.790 0 40 GFAB COc1cccc(S(=O)(=O)NCC(=O)Nc2ccc3sc(C)nc3c2)c1 630585 JEXPSZMNOAYDAF-UHFFFAOYSA-N 391.474 2.530 0 40 GFAB Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)[nH]c2c1C(=O)CC(C)(C)C2 22237581 KRGSJNCAIYCMSA-UHFFFAOYSA-N 395.507 2.877 0 40 GFAB Cc1nc2cc(C3CCN(C(=O)CCc4c(C)noc4C)CC3)nn2c(O)c1C 100137324 QIXAWGFZRUODIV-UHFFFAOYSA-N 397.479 2.995 0 40 GFAB O=C(NCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(O)cc1 47552916 XUSCIKZTNVLVOV-UHFFFAOYSA-N 390.443 2.615 0 40 GFAB CCN(CC)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)C1 42379156 AURZWLDIKJKQAL-JKSUJKDBSA-N 380.558 2.641 0 40 GFAB COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)c(OC)c1 3272675 HXVQBNYVMYSMGQ-WEVVVXLNSA-N 387.388 2.613 0 40 GFAB O[C@@H](COCc1ccccc1F)CN1CCN(Cc2ccc(F)cc2)CC1 22030452 SDKCASIKAOPJMZ-HXUWFJFHSA-N 376.447 2.660 0 40 GFAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 22241615 ZYUCEZCGLLRMJV-FQEVSTJZSA-N 399.535 2.692 0 40 GFAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)NCc1ccccc1 3229953 VNWJDDICGNRNLU-INIZCTEOSA-N 383.429 2.991 0 40 GFAB COc1ccc(NC(C)=O)cc1CNC(=O)CSc1nc2ccccc2[nH]1 1426277 KQDZWUHLQZNKNK-UHFFFAOYSA-N 384.461 2.938 0 40 GFAB Cc1cccc(N2CCN(CCCNS(=O)(=O)c3ccccc3F)CC2)c1 26975012 LCHBAGDTAMLIHO-UHFFFAOYSA-N 391.512 2.625 0 40 GFAB CCCN1CCC(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 58267530 BSNBOEAWLRWLDJ-CMDGGOBGSA-N 383.536 2.929 0 40 GFAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCCc2ccccc2)n1 36360276 FTFBOGRFRKHPRT-UHFFFAOYSA-N 380.404 2.580 0 40 GFAB CCc1cc2c(COC(=O)[C@@H](NC(C)=O)C3CCCC3)cc(=O)oc2cc1O 10911642 CZLYIQRFSPNBKU-FQEVSTJZSA-N 387.432 2.799 0 40 GFAB Cn1cc(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 59013438 SCGGBLPSOPRVHA-UHFFFAOYSA-N 378.432 2.918 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)cc1 12846954 DZAXUXRFJJKDJB-CRAIPNDOSA-N 396.443 2.876 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cc(Br)ccc2O)n1 11169589 GAJDUDBWRQTMTO-UHFFFAOYSA-N 385.239 2.969 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(NC(=O)c2ccco2)c1 11182268 FRMFJVVRJHCKFR-UHFFFAOYSA-N 388.383 2.881 0 40 GFAB C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-n2cncn2)cc1 12817365 ZFATZOOEZIAVMX-SCLBCKFNSA-N 393.472 2.948 0 40 GFAB CCCCN(C(=O)c1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12895086 WCRWTNCRDMPSKV-UHFFFAOYSA-N 398.488 2.676 0 40 GFAB O=C(NCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3432453 BQPHPMYXPYHFJY-QGZVFWFLSA-N 380.444 2.560 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)NC(=O)c3ccccc3OC)o2)cc1 3458972 JNKQXBIOCFFTNL-UHFFFAOYSA-N 399.428 2.803 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)cc1C 38651761 FYAOTRGUEQEXLO-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccc(F)c3)C2=O)cc1 13653690 WBMGQSGNFJUOCK-SFHVURJKSA-N 399.422 2.716 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N[C@H]1CCCc2ccccc21 5190606 RXEZPZONHYRULC-FQEVSTJZSA-N 399.454 2.776 0 40 GFAB COc1ccc([C@H]2N(C(C)=O)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 4778645 PRDUENRFNDWVNK-MGPUTAFESA-N 388.489 2.944 0 40 GFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O 5630691 LZLMLBUTOCPABR-RBZFPXEDSA-N 375.444 2.579 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3=NCCS3)cc2)cc1 14818069 ZCLJKQJFUFEFSR-UHFFFAOYSA-N 389.502 2.653 0 40 GFAB COc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c1OC 4878771 YJVDYXZHCDJIKH-QGZVFWFLSA-N 399.451 2.855 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 4865192 RDJUUCUPIIULSI-UHFFFAOYSA-N 390.490 2.544 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCC1 8749976 PBXPPFFCHOSTQE-VIFPVBQESA-N 384.807 2.648 0 40 GFAB CCc1cccc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)c1 7060281 WEOKUTMQAZJFQP-KRWDZBQOSA-N 383.473 2.801 0 40 GFAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c1 7133424 CVLJEDFVUJXMRS-UHFFFAOYSA-N 390.388 2.769 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccc(C)cc3C)c(=O)c12 7553002 MAGLETYSLWRZIW-UHFFFAOYSA-N 383.404 2.730 0 40 GFAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cccs1)C2 306129356 IBEGOQMYEXRRER-CQSZACIVSA-N 375.469 2.898 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)Nc2ccc(C)cc2O)cc1 8923848 RSDYEXSLPOEYNQ-UHFFFAOYSA-N 388.489 2.740 0 40 GFAB COC(=O)CCN(CC(OC)OC)C(=O)c1sc(-c2cccs2)nc1C 96011680 RTYXXPBUIYGGNI-UHFFFAOYSA-N 398.506 2.804 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 72406518 FIMZSAWFZZCPAS-UHFFFAOYSA-N 376.844 2.655 0 40 GFAB CCC[C@@H](CC(=O)O)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 95989915 RIFBOUXNEJKXNX-HNNXBMFYSA-N 390.461 2.861 0 40 GFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974793 YPLHPLBJQQZASI-CVEARBPZSA-N 382.526 2.709 0 40 GFAB O=C(c1cscn1)N1CC[C@]2(C1)OCc1cnc(NCc3ccccc3)nc12 306144748 ZNPOGFJEAVMUAU-HXUWFJFHSA-N 393.472 2.817 0 40 GFAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 408557806 HVTXRWUECBBRMO-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 518905838 YINVAJSSMUBSMF-DUFGSWQCSA-N 384.929 2.668 0 40 GFAB CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)ncn1 72377653 GGLQGWILAGNNLQ-OAHLLOKOSA-N 376.468 2.827 0 40 GFAB COc1ccc(CNc2c(-c3cnc(N(C)C)nc3)nc3cnccn23)cc1 72342031 LPFXZHWYJZXTBQ-UHFFFAOYSA-N 375.436 2.873 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637586 CJLCQVLNLZYSKV-UHFFFAOYSA-N 388.427 2.835 0 40 GFAB CN(CCOc1ccccc1Cl)C(=O)c1ccc(N2CCOCC2)nc1 32882009 RUNBUOXTRVACSS-UHFFFAOYSA-N 375.856 2.723 0 40 GFAB Cc1nc(NC(=O)CN(C)c2nc3ccccc3s2)sc1C(=O)N(C)C 70972984 KRTHJADVISSNPM-UHFFFAOYSA-N 389.506 2.838 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cnc12 40118865 LRIWCMQSQHYDJI-IAGOWNOFSA-N 384.524 2.579 0 40 GFAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)c1 223050077 NPXPGSGYHVQSLR-UHFFFAOYSA-N 394.518 2.985 0 40 GFAB CN(c1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 224947551 IZPYWVCSWGTFOU-UHFFFAOYSA-N 388.474 2.853 0 40 GFAB Cc1ccc(S(=O)(=O)n2c(NC[C@@H]3CCCNC3)nc3ccccc32)cc1 43220497 ICCGJPRJZZEHSF-MRXNPFEDSA-N 384.505 2.993 0 40 GFAB COC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1 49824272 LWARBUGTCYFSRV-UHFFFAOYSA-N 390.661 2.893 0 40 GFAB Cc1cc(Br)oc1C(=O)Oc1ccc([C@]2(C)NC(=O)NC2=O)cc1 40156550 CMHYQWDFRBWUDJ-INIZCTEOSA-N 393.193 2.624 0 40 GFAB CC(C)(CNC(=O)N1CCC(N2CCCS2(=O)=O)CC1)C1=CCCCC1 570143570 OVBIAHYRSSTOEQ-UHFFFAOYSA-N 383.558 2.723 0 40 GFAB COC(=O)Cc1nn(Cc2cccc(Br)c2)c(=O)c2ccccc12 40384850 UJXQLSUJBQCGGZ-UHFFFAOYSA-N 387.233 2.923 0 40 GFAB O=C(NCc1ccc(Cl)cc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101301 XEBNMPDHWVDKDN-UHFFFAOYSA-N 397.866 2.655 0 40 GFAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)COc3cccc(C)c3)ccc2NC1=O 96182211 GFUHITQMHGAONW-NRFANRHFSA-N 398.415 2.665 0 40 GFAB O=S(=O)(N[C@H]1CCC12CCN(Cc1nccs1)CC2)c1ccccc1 96051623 IXDDDDMRHWHBMA-INIZCTEOSA-N 377.535 2.866 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1 95471944 XOAXNYPTHURRHA-UHFFFAOYSA-N 382.397 2.993 0 40 GFAB Cc1ccc(N2C[C@@]3(COCCN(Cc4ccsc4)C3)OCC2=O)s1 96051457 ALGUVPDMJPTKAV-SFHVURJKSA-N 378.519 2.752 0 40 GFAB Cc1ccccc1Cc1cccc([C@H]2CN(C(=O)Cc3nonc3C)CCO2)n1 257323534 WKSHQRSRYSVELN-OAQYLSRUSA-N 392.459 2.815 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257203119 AOTGLCVCPSWMTH-MRXNPFEDSA-N 390.440 2.664 0 40 GFAB Cc1cc(N2CC[C@]3(NC(=O)c4cccc(C(C)C)n4)CCC[C@H]23)nc(CO)n1 1615610737 GRZHWCQUMFIXTN-PGRDOPGGSA-N 395.507 2.727 0 40 GFAB CCN1CCO[C@@H](CNC(=O)NCc2cnn3ccccc23)[C@@H]1c1ccccc1 585094433 CIQPFVIUOASYSC-SFTDATJTSA-N 393.491 2.596 0 40 GFAB COCCN(C[C@@H]1CC2(CCN(C(=O)c3ccc(O)cc3)CC2)CO1)C(C)C 585103446 GKVZKSLAZRZLDP-FQEVSTJZSA-N 390.524 2.760 0 40 GFAB COc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)ccc1OC(F)F 53234092 QZRAIBDACYZYNZ-CYBMUJFWSA-N 397.399 2.945 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)nc1 1615154211 FPNACUJJNUMOHN-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB Cc1csc(NC(=O)CSc2nnc(COc3ccccc3)n2C)n1 5712519 WEQABVFNHVRJNR-UHFFFAOYSA-N 375.479 2.890 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12145266 QYAIQUCCRDNFBK-KBPBESRZSA-N 379.464 2.711 0 40 GFAB Cn1nccc1[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccccc1 12194079 DGUAWWBSOSAPNX-FQEVSTJZSA-N 376.460 2.897 0 40 GFAB O=C(CCN1Cc2ccccc2C1=O)NC1CCN(Cc2cccc(F)c2)CC1 12201686 QEZWXDOXTJOZBU-UHFFFAOYSA-N 395.478 2.952 0 40 GFAB O=C1NC(=O)[C@@H](Cc2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)S1 15057232 WGZCBRZTJAGVGP-MRVPVSSYSA-N 399.379 2.766 0 40 GFAB COCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19592765 WDYPIMCZSCTVSL-JOCHJYFZSA-N 384.451 2.776 0 40 GFAB COCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19593308 NFULLNIMVQLMOE-NHCUHLMSSA-N 398.478 2.909 0 40 GFAB FC(F)(F)c1ccc(N2C[C@H]3CN(Cc4n[nH]c5c4CCC5)C[C@@H]3C2)nc1 1888867094 NVMGJNBKCONCNH-CHWSQXEVSA-N 377.414 2.880 0 40 GFAB NC(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 27440174 HTNVSAYBBPQIMM-UHFFFAOYSA-N 378.432 2.879 0 40 GFAB CC(=O)N1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)Oc2ccccc21 30057242 WPNNJFNYOLVBBL-JOCHJYFZSA-N 393.487 2.581 0 40 GFAB Cc1ncc(C(=O)N2C[C@H]3CCN(Cc4csc(C)n4)CC[C@H]3C2)c(C)n1 2056224569 VNNDWGDLIKZINS-CALCHBBNSA-N 385.537 2.843 0 40 GFAB C[C@H](OC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)C(=O)O 2061000633 BLYKQUBHCYQPHU-WSMBLCCSSA-N 390.432 2.650 0 40 GFAB CCCCCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCCC 2023626 WIUIJKIUJNMTDT-UHFFFAOYSA-N 376.544 2.624 0 40 GFAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C(C)C 4370464 MMLVFTREXVVRMW-UHFFFAOYSA-N 385.855 2.740 0 40 GFAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nn1 9786992 WQECBWGBHHYCKW-UHFFFAOYSA-N 385.420 2.867 0 40 GFAB Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc(Cl)cc2)c3=O)cc1 12233775 GTXQCWTWSVGNMF-UHFFFAOYSA-N 395.850 2.682 0 40 GFAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC(C(N)=O)CC3)c(O)n2n1 22853769 IZQNAQGQWZGULX-INIZCTEOSA-N 399.520 2.654 0 40 GFAB COc1ccc(CNC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)cc1 23125496 AUNUTFSVLLPZDL-UHFFFAOYSA-N 376.416 2.593 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575606542 HUAZETGHQMBSHS-UHFFFAOYSA-N 395.337 2.802 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 618255357 BKQNCPTUABEARP-LBPRGKRZSA-N 397.547 2.839 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 96103546 RMDQQIGPBGZVGO-UHFFFAOYSA-N 375.406 2.550 0 40 GFAB CCn1c(N)c(-c2csc(Nc3ccc(F)c(Cl)c3)n2)c(=O)[nH]c1=O 7735792 YSNUQPFGLHGCIK-UHFFFAOYSA-N 381.820 2.798 0 40 GFAB Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 932459 OKGNHIXAPVTIST-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3CC(c4ccccc4)=NO3)cn2)n1 46312400 NBSSUCHQLCTRFR-LJQANCHMSA-N 375.432 2.694 0 40 GFAB O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCCCC1 4554501 JDDRWAWQYISXHT-IVDHNXQLSA-N 380.488 2.641 0 40 GFAB CCNc1nc(NCC)n2nc(S[C@@H]3CCc4ccccc4C3=O)nc2n1 6349442 BFPICFGOCMPXMT-CYBMUJFWSA-N 383.481 2.673 0 40 GFAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)NCCC4=CCCCC4)cc3c21 6941423 SRQPFOQESOFBQU-UHFFFAOYSA-N 387.461 2.849 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 7218607 KOGVDCAIFWMAMG-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB CCn1c(SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)nnc1C1CC1 7618628 ZJRGUXFEXGESJJ-UHFFFAOYSA-N 388.449 2.838 0 40 GFAB CC1CCN(c2nnc(S[C@H](C)C(=O)NC(=O)NC(C)C)n2C2CC2)CC1 11986334 SOJKWVZXJMKLNQ-CYBMUJFWSA-N 394.545 2.564 0 40 GFAB CCCn1nc(C(=O)NCc2cccnc2Oc2cccc(F)c2)ccc1=O 32924698 OPVKIKXYDCFKAG-UHFFFAOYSA-N 382.395 2.910 0 40 GFAB C[C@H]1C(=O)[C@@]23[C@H]4OC(C)(C)O[C@@H]2C[C@H]2C(C)(C)CC[C@@H](O)[C@@]2(C)[C@H]3[C@@H](O)C[C@@H]41 100359646 MDODVBXGWQIKBY-DYTJDNRQSA-N 392.536 2.916 0 40 GFAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncccc1O)C2=O 21901637 JYZHKACJTVMYEK-UHFFFAOYSA-N 388.468 2.643 0 40 GFAB COc1cc(CNC(=O)[C@@H]2CCCN(C(C)=O)C2)ccc1OCCC(C)C 46998772 YGPZTRBYOJWZQY-GOSISDBHSA-N 376.497 2.995 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C\c2ccco2)c1 33648000 RVEGSBWBBUDVIZ-FLIBITNWSA-N 378.450 2.971 0 40 GFAB COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3)CC2)cc1OC 22785534 QZKRFCUIXGTVAZ-KRWDZBQOSA-N 383.492 2.849 0 40 GFAB Nc1cc(N)nc(SCCC(=O)Nc2ccc(Br)cc2F)n1 12540431 JLFAUWJGRYYFLB-UHFFFAOYSA-N 386.250 2.664 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 23642290 RAZJGNRHTIVQMD-SFHVURJKSA-N 378.900 2.795 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc3ccccc3[nH]1)C2=O 12519883 ABCIUKXUTFCGPL-MPBGBICISA-N 383.452 2.638 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCc2ccccc2C1 24583125 IIDPLBVIDRYHNU-UHFFFAOYSA-N 398.528 2.819 0 40 GFAB Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(O)n4n3)CCCC5)CC2)on1 100137587 ZPUFDJZTTIMWQV-UHFFFAOYSA-N 381.436 2.630 0 40 GFAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12785771 FUBUNJFTQMPBQY-UHFFFAOYSA-N 385.489 2.951 0 40 GFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C1CC1 8183753 MNMIXXJBCSWDOU-GFCCVEGCSA-N 388.445 2.744 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 8186115 RTMIOHXWQKYFOV-UHFFFAOYSA-N 381.413 2.712 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1C 12984594 SONOAXPMEAYKPO-CYBMUJFWSA-N 386.404 2.805 0 40 GFAB CCOc1ccccc1-c1nc(CC(=O)NCC(=O)NCc2ccco2)cs1 12938470 IPSYIXWXUVRKNW-UHFFFAOYSA-N 399.472 2.777 0 40 GFAB COc1cccc(C[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 4029996 JKROYVBMPNATCP-SJLPKXTDSA-N 385.460 2.955 0 40 GFAB biogenic CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 17066300 RKBMLWZKJKBMCY-UHFFFAOYSA-N 381.432 2.650 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCn3c2nc2ccccc23)c1 5488979 JELXKTWDVJAVHQ-ZDUSSCGKSA-N 379.420 2.602 0 40 GFAB Cn1nc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2c1=O 5415512 LXNLORXXGXNJFG-UHFFFAOYSA-N 396.790 2.994 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](Sc3n[nH]c(-c4ccccc4)n3)C2=O)cc1 5578551 PQPOMSHKEIPDBC-OAHLLOKOSA-N 380.429 2.905 0 40 GFAB COC(=O)c1ccc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)o1 5704135 IPSOIKXCQWSUKS-UHFFFAOYSA-N 382.463 2.538 0 40 GFAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CCCO2)cc1 5856516 RXCHLDNNORDEQW-SFHVURJKSA-N 398.415 2.608 0 40 GFAB CC(C)NC(=O)CNC(=O)CSc1nnc(Nc2cccc(Cl)c2)s1 7080538 ABQAVLJSTWEFAU-UHFFFAOYSA-N 399.929 2.668 0 40 GFAB O=C1COc2cc(S(=O)(=O)N[C@H]3C[C@H]3c3cccc(F)c3)c(Cl)cc2N1 67434309 ICIQRUZCMFFCJT-AAEUAGOBSA-N 396.827 2.644 0 40 GFAB CCNC(=O)[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 7117469 OATCBDJSKXJWRJ-LBPRGKRZSA-N 388.468 2.848 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3cc(C)n(CC)c3C)c(=O)c12 19432215 KGJQKZCDOIXXFA-UHFFFAOYSA-N 385.420 2.796 0 40 GFAB CC(C)SC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 9306724 MBGIYPUASFZKRY-CHWSQXEVSA-N 389.340 2.932 0 40 GFAB COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(OCC(C)C)cc1 72285141 SWFRIPCFDWVEDB-IBGZPJMESA-N 377.481 2.835 0 40 GFAB COC(=O)CCN1CCN(C(=O)CCCOc2ccccc2Cl)[C@H](C)C1 95460253 CEKWJNMLCFSYQI-OAHLLOKOSA-N 382.888 2.595 0 40 GFAB CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1 95424977 MKORJBMVBJHVNJ-KRWDZBQOSA-N 386.473 2.804 0 40 GFAB CC(C)n1c(CNC(=O)c2cc(-n3cnnn3)ccc2F)nc2ccccc21 79496467 VCLIOCKOONIXTJ-UHFFFAOYSA-N 379.399 2.662 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-n2cnnn2)cc1 25250132 NDQPUQDTQZWOKZ-UHFFFAOYSA-N 387.447 2.737 0 40 GFAB CCOC(=O)c1c(NC(=S)NC(=O)C(C)(C)C)sc(C(=O)OC)c1C 408624033 AQMSGCKBRHBOTG-UHFFFAOYSA-N 386.495 2.879 0 40 GFAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCCC2)cc1 408710247 ULUDKWRPCVLRHB-UHFFFAOYSA-N 395.459 2.623 0 40 GFAB NS(=O)(=O)c1c(Br)cc(Br)cc1Br 36948431 DUDBZBQYASOKFQ-UHFFFAOYSA-N 393.882 2.622 0 40 GFAB CCc1nc2ccccc2n1CC(=O)N[C@@H]1CCCc2cn(CCOC)nc21 509691708 BPDSCHNKKSHLJE-QGZVFWFLSA-N 381.480 2.635 0 40 GFAB O=C(Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)NC1CCCCC1 408570616 LOJXNPDGDXCQJI-UHFFFAOYSA-N 381.476 2.895 0 40 GFAB Cc1ccccc1O[C@@H](C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 38771697 WOXHYQJVUNHTBP-HNNXBMFYSA-N 388.489 2.602 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(CCOc4ccccc4C)C3)ncc2C1 72390879 QKRVXISDZCIXKA-LJQANCHMSA-N 394.519 2.948 0 40 GFAB CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N3)CC1 38204481 ITPGVPBKOMDJSM-GDBMZVCRSA-N 393.413 2.931 0 40 GFAB CC(=O)Nc1ccc(OC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 32739205 UKWIUCFAJIUOSP-UHFFFAOYSA-N 377.356 2.707 0 40 GFAB CSc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 219662099 BIDWCLKXWCJTIO-UHFFFAOYSA-N 376.459 2.582 0 40 GFAB O=C(CCCn1nnc2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 72402109 DOKFPUTZVZGOSM-UHFFFAOYSA-N 387.443 2.638 0 40 GFAB Cc1cc2c(cc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2C)o1 35315828 ZYBRSAYQTLHAJR-LBPRGKRZSA-N 384.388 2.670 0 40 GFAB O=C(NCCCn1ccnc1)c1ccccc1NS(=O)(=O)c1ccccc1 39472204 LTNIQMIIJWMZNX-UHFFFAOYSA-N 384.461 2.504 0 40 GFAB COc1ccc(OC)c([C@@H](O)CN2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 36734386 ZHQHRAXXBPQXFL-PXNSSMCTSA-N 390.524 2.852 0 40 GFAB Cn1cc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cn1 72371627 FOGKQUWAHQOMOR-AWEZNQCLSA-N 383.427 2.534 0 40 GFAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 40288230 UAFPCUDIQXBWAN-SFHVURJKSA-N 395.394 2.910 0 40 GFAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 225031203 OJTOVSCSNGKAJQ-GFCCVEGCSA-N 382.511 2.789 0 40 GFAB Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 224022882 AOMHGCFKHRQTMC-UHFFFAOYSA-N 390.480 2.891 0 40 GFAB COc1ccccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225951327 JLZIWXBMRHSMHC-OAHLLOKOSA-N 382.869 2.968 0 40 GFAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 226085653 KMVKGXYVIWQLLG-UHFFFAOYSA-N 390.505 2.706 0 40 GFAB Cc1ccc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1C 223331556 PTIRYGXIWPCWBB-UHFFFAOYSA-N 384.567 2.861 0 40 GFAB COc1ccccc1CNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225312487 LWWDZHXSBUTSGZ-UHFFFAOYSA-N 379.507 2.578 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(C(C)(C)C)cc1 224358285 FTYDYXYKTTWSCL-UHFFFAOYSA-N 383.496 2.929 0 40 GFAB COc1cc(OC)c(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1Cl 77196660 RUIHDIAVWXINKA-UHFFFAOYSA-N 393.831 2.628 0 40 GFAB CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)c2C1 584210557 IGLPANQCRZYVGT-RPVQJOFSSA-N 386.883 2.521 0 40 GFAB COc1cc(N2CCS(=O)(=O)CC2)ccc1N[C@@H](C)c1ccncc1F 585081047 IEEAGAGWBZUVMJ-ZDUSSCGKSA-N 379.457 2.637 0 40 GFAB COc1ccc(CNC(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)cc1OC 252498808 RLWCPWMIXLQARA-SFHVURJKSA-N 383.448 2.728 0 40 GFAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)nc1C 257296465 RCYBNCQOPUTQLB-KXBFYZLASA-N 394.519 2.892 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2cccs2)c(C)c1 253471858 GGDDAGMQWVRLKE-GOSISDBHSA-N 393.486 2.873 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 364628915 MQNAPHIQTNOJBC-GUDVDZBRSA-N 394.537 2.554 0 40 GFAB COc1cccc2c1CN(C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1)C2 624390408 BLFCUNUSSYKCOE-HXUWFJFHSA-N 394.519 2.537 0 40 GFAB C[C@H]1CCn2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)nc2C1 636447305 SLSYTZQISGOURP-JTQLQIEISA-N 390.490 2.731 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c1C(F)F 668145627 INWMFYHALSNARA-FZMZJTMJSA-N 385.436 2.817 0 40 GFAB CCN1C(=O)CCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccccc2F)CC1 585284411 RQCUQBLFFUQQPP-PMACEKPBSA-N 389.515 2.632 0 40 GFAB CC[C@@H](C(=O)Nc1cccc(OC)c1)n1ncc(-c2ccc(OC)cc2)nc1=O 44804317 BVPULTOJFDOXRB-IBGZPJMESA-N 394.431 2.912 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@@]2(OC(C)=O)c3ccccc3-c3ccccc3[C@H]12 5712182 BIMCFBABWXWLHN-XMSQKQJNSA-N 378.380 2.865 0 40 GFAB C[C@H](C(=O)NCCc1ccccc1F)n1nc(-c2cccs2)cc(N)c1=O 12181235 CEQXJFVTQBDIIP-GFCCVEGCSA-N 386.452 2.613 0 40 GFAB O=C(O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1 13166199 RZLUDNDGHSAPIB-UHFFFAOYSA-N 381.169 2.919 0 40 GFAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677525 YASRTFBUUUSFPB-LLVKDONJSA-N 391.320 2.814 0 40 GFAB Cc1cc2c(cc1NC(=O)c1cc(-c3ccc(F)cc3)nn1C)n(C)c(=O)n2C 19125879 VTKYQMGAAYUJAO-UHFFFAOYSA-N 393.422 2.977 0 40 GFAB CCc1nn(C)c(C(=O)NC2CCC3(CC2)CNC(=O)c2ccccc2O3)c1C 19521067 WIXNHDCUYUPEKH-UHFFFAOYSA-N 396.491 2.525 0 40 GFAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)c1OC 19567824 DOKRXHTWHRXIQR-AWEZNQCLSA-N 385.464 2.964 0 40 GFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(c3ncccn3)CCO2)cc1 19692737 NQQANGXLIUJKLJ-GOSISDBHSA-N 392.463 2.586 0 40 GFAB COCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 19706218 CUHDGRCHYYWKHD-LJQANCHMSA-N 395.507 2.833 0 40 GFAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 19714725 YIACXXDSHOYKNR-CQSZACIVSA-N 384.528 2.733 0 40 GFAB Cc1nc(N)c2ccc([C@@H]3CCCN(CC(=O)N(C)C4CCCCC4)C3)nc2n1 19743315 IAJVUPMYCGDHCO-MRXNPFEDSA-N 396.539 2.886 0 40 GFAB O=C(Nc1cccc(-n2cccn2)c1)C1CN(C(=O)Cc2ccc(F)cc2)C1 19747593 KXZDVJJREUDKSU-UHFFFAOYSA-N 378.407 2.651 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 19934455 UMLILFWHFPKVTM-UHFFFAOYSA-N 387.461 2.881 0 40 GFAB CC1CCN(c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)CC1 10213341 RZLFSEFWWWNCFU-UHFFFAOYSA-N 383.471 2.814 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)cc2n1 12134605 HHRDOHJMKRLCFG-OAHLLOKOSA-N 397.479 2.941 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](n4cc(C5CC5)nn4)C3)CC2=O)cc1C 244986237 JMFIWFLORZJTAZ-HKUYNNGSSA-N 393.491 2.599 0 40 GFAB O=C1NCC2(CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)Oc2ccccc21 19374737 JCFLUHFQLHKQEV-CSZIGFGKSA-N 386.492 2.671 0 40 GFAB COCC1(C(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CCC1 585080966 LAFPKHUIDORREO-UHFFFAOYSA-N 399.457 2.890 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(c4nccc(C)n4)CC3)nn2)cc1 1888897261 FZYZOXCTNAPSFR-UHFFFAOYSA-N 376.464 2.967 0 40 GFAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 1889128408 DECGSAIBCJCKMN-UHFFFAOYSA-N 387.915 2.597 0 40 GFAB CC(=O)Nc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1 25374312 LDDPBERSBIDQKH-UHFFFAOYSA-N 383.267 2.886 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037989185 YPUJZPOLRUDJLL-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB COC1(CC(=O)NCc2nn(C)c3sc(C(=O)NCC(C)C)cc23)CCC1 1565546393 ADROFUJMSCXSNS-UHFFFAOYSA-N 392.525 2.596 0 40 GFAB COc1cccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)c1 5168503 NPXVHXZWUZCFRU-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB CCOc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 5252571 VYPBDKOIPLMCBC-UHFFFAOYSA-N 381.432 2.962 0 40 GFAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2cccs2)o1 10620795 DPQQHEVNWQAUBL-UHFFFAOYSA-N 377.447 2.742 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1cccn1C)N1CCCC1 11846947 YAFQNQPSSVMMSP-SFHVURJKSA-N 391.537 2.848 0 40 GFAB Cc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)no2)cc1 12235610 BGLRMOQNIWHPKX-UHFFFAOYSA-N 399.472 2.830 0 40 GFAB CCc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCN(C)CC2)cc1 22577890 MCBOBGFVOVKRJL-KRWDZBQOSA-N 385.537 2.958 0 40 GFAB COc1ccc2cc(C(=O)N3CCC[C@H](Oc4nccnc4OC)C3)[nH]c2c1 225494526 ZXOMTJJSPFRFKI-HNNXBMFYSA-N 382.420 2.659 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NCCn1ccnc1-c1cnccn1 575610852 ZDDZHUTUWZZKJK-UHFFFAOYSA-N 392.246 2.842 0 40 GFAB COc1cccc(/C=c2/sc3nnc(-c4ccc(C)cc4)n3c2=O)c1OC 13513377 LDEJTBIWTRSIFS-LFIBNONCSA-N 379.441 2.691 0 40 GFAB CN(C)[C@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccccc1Cl 27347102 DJAMEYMBIUJBNM-LJQANCHMSA-N 398.894 2.549 0 40 GFAB CNC(=O)NC(=O)CCSc1nc2ccccc2n1-c1ccc(OC)cc1 30015737 CPSOZDLEWDIQRV-UHFFFAOYSA-N 384.461 2.972 0 40 GFAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 40087843 BUGGEEZAWAFXAQ-KRZKXXONSA-N 376.884 2.887 0 40 GFAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 30216669 AFTUQCPOONZSBJ-IBGZPJMESA-N 392.459 2.693 0 40 GFAB COC(=O)c1ccc(C)c(NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 11550754 YPSJAQXFCOPCSM-UHFFFAOYSA-N 381.432 2.959 0 40 GFAB Cc1n[nH]c(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)n1 11705994 LWRKKXABQIYLIX-UHFFFAOYSA-N 381.461 2.774 0 40 GFAB COC(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 29575911 PBFOPHUYTXESGW-QGZVFWFLSA-N 398.434 2.633 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)C1 902181 BUNPLGCKECSICJ-KRWDZBQOSA-N 393.553 2.922 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)cc1 1003774 MEMHFLOMUCDVKF-UHFFFAOYSA-N 393.490 2.719 0 40 GFAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3Cl)cc2c1 1366743 WIZRCUIVBSSQFR-UHFFFAOYSA-N 386.835 2.825 0 40 GFAB CC(=O)N1C[C@H](C(=O)NCCc2nc3ccccc3s2)Oc2ccccc21 32741178 FBMXGCJGBXQTSB-QGZVFWFLSA-N 381.457 2.769 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 6152771 UQGLNNQMDKETGP-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1c(C)cccc1C 6203940 WXPYYXOZCJLFHL-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)NCCCOC 6948018 ZEGPHYZWRPAVKQ-UHFFFAOYSA-N 376.526 2.718 0 40 GFAB COc1cccc(C(=O)Nc2cc(O)nc3nc(CCc4ccccc4)nn23)c1 16976305 DYIDQRBAMOZMHA-UHFFFAOYSA-N 389.415 2.876 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102431228 BZKXFWQVZAFDQX-CHWSQXEVSA-N 376.840 2.937 0 40 GFAB COc1ccc(OC)c(NC(=O)Cn2c(=O)c3ccccc3n3nc(C)cc23)c1 32909130 MASYBHNESJLQIJ-UHFFFAOYSA-N 392.415 2.614 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(SC)c2)Oc2ccccc21 10009157 MOLUYIMGZFTQDC-QGZVFWFLSA-N 392.502 2.964 0 40 GFAB COc1cc(CNC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)ccc1O 52638968 JHLHOOKZTGRDBW-INIZCTEOSA-N 376.840 2.938 0 40 GFAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1 8415564 MZGJNHHDFTUWEC-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1C(=O)OC 59842273 MLWAVAWHNCDDPD-UHFFFAOYSA-N 389.838 2.776 0 40 GFAB O=C(NCc1cc(O)n2nc(-c3cccnc3)cc2n1)C1(c2ccccc2)CC1 100744364 NQVCUGDFTWXQNW-UHFFFAOYSA-N 385.427 2.845 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(/C=C/c2ccccn2)c1 12106712 DXFXMJVGIRUQLN-VAWYXSNFSA-N 398.422 2.894 0 40 GFAB CCn1c(SC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)nnc1-c1ccccc1 58210840 MRMKAPCPAJWCRP-BFYDXBDKSA-N 376.526 2.527 0 40 GFAB CCOC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OC)c(OC)c1 949445 JZNSIOXRZDFFFV-ZWNOBZJWSA-N 381.475 2.871 0 40 GFAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 12374073 ZCKPMCAMMRBROU-HNNXBMFYSA-N 381.480 2.649 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cn1 47275931 DGYYFAVQDAXYGI-HNNXBMFYSA-N 379.420 2.660 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCC2=O)cc1 22867882 RFKSIDXXPSOLRK-UHFFFAOYSA-N 379.460 2.898 0 40 GFAB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 101344934 WZYOORBBJIMWMJ-YSTOQKLRSA-N 392.430 2.969 0 40 GFAB C1CO[C@@H](Cn2c(SCc3nnc(C4CC4)o3)nnc2N2CCCC2)C1 58179500 WRFRLXRPADATHU-CYBMUJFWSA-N 376.486 2.610 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 36080481 TYQOYHMCMTZUCH-AWEZNQCLSA-N 398.484 2.981 0 40 GFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc12 28025688 RAYRPRBASKEOHN-UHFFFAOYSA-N 385.376 2.628 0 40 GFAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCCN1CCOCC1 22246106 XGICUPLUVYKXSE-UHFFFAOYSA-N 378.473 2.786 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)C1 3294286 FDWYWWPFGDFIGT-VXGBXAGGSA-N 379.917 2.909 0 40 GFAB Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)n3nccc32)c2c(C)nn(C)c2n1 17077341 AQBYCSLPDQNGKL-LBPRGKRZSA-N 378.358 2.936 0 40 GFAB COC(=O)c1sccc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 3349357 JRANBUBXAAJMSL-AWEZNQCLSA-N 386.429 2.794 0 40 GFAB C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 12785997 LJZJMCLFFYVHGI-OAHLLOKOSA-N 375.432 2.885 0 40 GFAB CN1C(=O)c2ccc(NC(=O)NCc3ccccc3OC(F)F)cc2C1=O 12776024 YYPSWFHRHGHABG-UHFFFAOYSA-N 375.331 2.836 0 40 GFAB CNC(=O)c1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)C2CC2)cc1 12977543 QMRZUFNFGBRTJR-UHFFFAOYSA-N 380.444 2.899 0 40 GFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)OCCCO2 13260089 BPKPKCFOHIIINM-KRWDZBQOSA-N 380.400 2.755 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 4000240 XZRBDIIWGOEDBK-GDLVEWKHSA-N 393.871 2.566 0 40 GFAB biogenic CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 13757527 KOWDLHFTFVQUIG-UHFFFAOYSA-N 389.887 2.593 0 40 GFAB Cc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(C(F)(F)F)c2)CN=3)o1 13713427 HFZKKADKDMEUHO-NVNXTCNLSA-N 393.390 2.714 0 40 GFAB COc1ccc(NC(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)O)cc1 8765291 YWRHZEJRMBWNBX-LJQANCHMSA-N 381.432 2.791 0 40 GFAB biogenic CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 39980504 CBSXMVMPOUNODY-MRXNPFEDSA-N 390.480 2.932 0 40 GFAB O=S(=O)(c1ccc(Cl)nc1)N1CCc2cc3c(cc2C1)OCCCO3 5345692 VRJDNCGMEQMDSH-UHFFFAOYSA-N 380.853 2.643 0 40 GFAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O 4598916 XGJGWYRHLPSMLW-DLBZAZTESA-N 378.469 2.943 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)c1 14244131 ORBIVIGYLLCBHB-ZDUSSCGKSA-N 389.452 2.551 0 40 GFAB CCOC(=O)Cc1csc(=N)n1CC(=O)Nc1c(CC)cccc1CC 5445491 XYHCJYCMUSBDOD-UHFFFAOYSA-N 375.494 2.898 0 40 GFAB COc1cc(OC)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1Cl 6579215 MOVSNNWIAFIJFY-UHFFFAOYSA-N 395.843 2.550 0 40 GFAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 306125900 DFDLGRGLDMYOGS-GMAHTHKFSA-N 395.478 2.828 0 40 GFAB CCC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 6719581 KEYPYVDUFVLOEQ-LJQANCHMSA-N 395.411 2.871 0 40 GFAB Cc1cc(C)n2c(SCC(=O)N[C@H](C)c3ccc(F)cc3F)nnc2n1 8942559 PQQPMJFGISABKX-LLVKDONJSA-N 377.420 2.989 0 40 GFAB COc1cc(C(=O)NCCC(=O)OC(C)C)ccc1OCc1c(C)noc1C 16107636 VSYVSZHCQDJOSM-UHFFFAOYSA-N 390.436 2.951 0 40 GFAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007585 ZEWVCNJNVZIEMO-LJQANCHMSA-N 390.480 2.774 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCS(=O)(=O)c1ccccc1 9460075 HZABQAYUSXPMDC-UHFFFAOYSA-N 389.473 2.670 0 40 GFAB CCOC(=O)c1c(C)oc(NC(=O)CSc2nncs2)c1C(=O)OCC 9500605 QKRPCECWWIWJMT-UHFFFAOYSA-N 399.450 2.524 0 40 GFAB Cc1sc2nc([C@@H](C)Sc3nnnn3C[C@H]3CCCO3)[nH]c(=O)c2c1C 9548469 HBIZGSWYRCTRDO-GHMZBOCLSA-N 392.510 2.620 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2CCCc3cc(C(=O)O)ccc32)c1 71844467 QBOBDIIAXOFGKY-UHFFFAOYSA-N 377.418 2.544 0 40 GFAB CC(=O)N1CCO[C@@]2(CCCN(CC3CCN(Cc4ccccc4)CC3)C2)C1 63527701 AWVHDRAHUWBPBH-HSZRJFAPSA-N 385.552 2.612 0 40 GFAB Cc1nc2ccccc2n(CCCNC(=O)c2ccccc2-n2cccn2)c1=O 95456643 ZLUCWSNPWNMDLM-UHFFFAOYSA-N 387.443 2.711 0 40 GFAB O=C(Nc1cc(F)ccc1O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 79014360 BJLCLHQYFSLNKT-MRXNPFEDSA-N 378.425 2.713 0 40 GFAB O=C1C[C@H](Cc2ccc(NC(=O)N3CC[C@H](Cc4ccccc4)C3)cc2)C(=O)N1 175975472 BMHNSPNYLCUTLE-MOPGFXCFSA-N 391.471 2.988 0 40 GFAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCCCN1CCOCC1 1548348751 PQNHREJFENGVKF-UHFFFAOYSA-N 399.535 2.574 0 40 GFAB Cc1ccccc1C(=O)N1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306124882 CBGQXDLXJXUFGH-HSZRJFAPSA-N 386.455 2.801 0 40 GFAB CCc1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)c(Br)c1 218865817 IRBBOEONWAOREM-UHFFFAOYSA-N 384.270 2.802 0 40 GFAB CC(C)CC(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 32126838 RJSGOBNDKXZDOZ-UHFFFAOYSA-N 378.523 2.992 0 40 GFAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cccc(C)c2)cc1 35289424 LYAKTAMWHRRIKS-UHFFFAOYSA-N 396.472 2.818 0 40 GFAB NC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1ccc(N)nc1 72370292 BFQGVMKXSJAEJM-CYBMUJFWSA-N 380.473 2.825 0 40 GFAB CC(C)c1nnc2c(=O)n(CC(=O)NCCc3ccccc3)c3ccccc3n12 64871698 XKGZUDHOIQCJQS-UHFFFAOYSA-N 389.459 2.527 0 40 GFAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(Br)s2)cc1OC 72227063 LZJVMQOMDCTPKE-CABCVRRESA-N 397.294 2.939 0 40 GFAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 223588066 NBDFTFLVBRQYAF-VQTJNVASSA-N 394.500 2.846 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223001082 BDHYPFOAJGKQEV-UXHICEINSA-N 393.516 2.945 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 225422179 REQKYJCCBCNTPC-UHFFFAOYSA-N 380.897 2.953 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CC[C@H](N2CCc3ccccc3C2)C1 225688072 KEJALSHYUBWBFW-INIZCTEOSA-N 378.444 2.786 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225313944 ZLRXPOUIROXWKH-KBXCAEBGSA-N 376.478 2.505 0 40 GFAB O=S(=O)(NC[C@H](O)c1csc2ccccc12)c1ccc2c(c1)CCO2 225696908 GVGMCPXIUQLEAC-INIZCTEOSA-N 375.471 2.848 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)NC2(Cc3ccccc3)CCC2)CC1 531626666 LWYNDVCFMDEELD-UHFFFAOYSA-N 393.553 2.655 0 40 GFAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)c1cccc(OC)c1)CC2 96147041 CBGDICSEPLEJTA-UHFFFAOYSA-N 387.505 2.875 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccc(F)cc1)C2 96237918 XQARYGJXEBCBCT-NRFANRHFSA-N 385.414 2.528 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257264682 LVPUHSCGPRNSKP-UHFFFAOYSA-N 396.476 2.579 0 40 GFAB CCCc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)CN3C)n(C)n1 257216931 CWSYVKIIHWQJRQ-NJDAHSKKSA-N 396.535 2.941 0 40 GFAB C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2c(c1)CCCC2 253371710 CBUUUNBKIHMLMC-NKVHHNDNSA-N 392.499 2.938 0 40 GFAB CSCc1cccnc1C(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 602200980 CQVGVHLAKAZTSL-ZDUSSCGKSA-N 378.519 2.882 0 40 GFAB Cc1cc(C)n(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1176909604 BMFCNEKWSUGZAE-UHFFFAOYSA-N 395.429 2.947 0 40 GFAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)CC 96098392 MKDXVVNOKUSKIQ-UHFFFAOYSA-N 389.477 2.835 0 40 GFAB O=C(CCC(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 96122151 DGSXPXKZUWNMLV-UHFFFAOYSA-N 391.876 2.988 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1C(=O)O 571741909 DNDQIBZMWCAFNO-INIZCTEOSA-N 388.445 2.754 0 40 GFAB CCn1cc(C(=O)OCC(=O)NCC(F)(F)F)c(=O)c2cc(Cl)ccc21 47806896 LNJAYYWSFYLUQN-UHFFFAOYSA-N 390.745 2.510 0 40 GFAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 5685370 IGFPTGJFDZUVDN-UHFFFAOYSA-N 399.299 2.857 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)NCCc3ccccc3)C2)cc(OC)c1OC 5030945 RCNUZBLJRIKLFK-IBGZPJMESA-N 384.432 2.564 0 40 GFAB biogenic COc1ccc(OC)c(C2=NO[C@]3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c1 5203290 VQYNAKDRKYDBIX-NRFANRHFSA-N 380.400 2.839 0 40 GFAB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5706616 JXLRIEAELYWLGD-RBUKOAKNSA-N 398.459 2.894 0 40 GFAB CCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 16161750 PAGQBJLCPRTGQD-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc2c(c1)OCO2 17301854 PZTBSOWIFODCIF-UHFFFAOYSA-N 377.194 2.546 0 40 GFAB COc1ccc([C@H]2CN(C(=O)c3ccccn3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017733 YFLZRMNHXNUJLZ-HMXCVIKNSA-N 379.460 2.709 0 40 GFAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2cccc(O)c2)CC1 19291274 WOPKKVNVUQGXIT-NRFANRHFSA-N 396.466 2.669 0 40 GFAB COc1cc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc(OC)c1OC 19453741 XMBHMAJPROHYCF-UHFFFAOYSA-N 387.480 2.520 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 19497926 SHPAOOXBTXFXTM-DOTOQJQBSA-N 392.503 2.808 0 40 GFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2C(=O)CN(C)C)cc1 19581738 SMXABMFKUMWJRQ-BEFAXECRSA-N 391.475 2.555 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)S(=O)(=O)c2ccc(F)cc2)on1 12160046 SYQWBCNCONBXOD-UHFFFAOYSA-N 376.413 2.708 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCCCC3)C1)N2 19127886 IQVCGQMTXXFESO-IXDOHACOSA-N 395.498 2.906 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 19287872 BQPJTZRDQIPELA-UHFFFAOYSA-N 385.508 2.922 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(F)c(F)c1 2647964 XDNMWXGHEFOTDR-QGZVFWFLSA-N 380.416 2.680 0 40 GFAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NCc1ccc2c(c1)OCO2 5656039 GMJQNSZUJXXNEA-JTQLQIEISA-N 376.796 2.513 0 40 GFAB CCOc1ccccc1N1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 6646293 NSJUQCOCPVXPHX-UHFFFAOYSA-N 384.505 2.785 0 40 GFAB Fc1ccc(OC[C@@H]2CCN(c3ncnc4c3nnn4-c3ccccc3)C2)nc1 1889246956 JUWILJFCKZSIHN-CQSZACIVSA-N 391.410 2.650 0 40 GFAB Cc1cccc(CN2CCC[C@@]3(CCCN(C(=O)c4cn(C)nc4C)C3)C2)n1 2056224634 MYNNQZGIQHVUKK-JOCHJYFZSA-N 381.524 2.950 0 40 GFAB COc1ccc(C)cc1-n1ccn(CC(=O)Nc2cc(C)ccc2C)c(=O)c1=O 4570064 UJRSQKGOQRPRTI-UHFFFAOYSA-N 393.443 2.572 0 40 GFAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7459145 PYDZXUOHWDUDDQ-UHFFFAOYSA-N 383.379 2.950 0 40 GFAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc2ccccc2c1 8954722 GXVGNJUMZLAOIL-UHFFFAOYSA-N 395.440 2.635 0 40 GFAB O=C(CN1CCN(c2nccn2-c2ccccc2F)CC1)Nc1ccccc1 11695766 SNIFIEOJGWSDPW-UHFFFAOYSA-N 379.439 2.772 0 40 GFAB Cc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc1 49007244 RDEWTHPEFOBONA-UHFFFAOYSA-N 394.500 2.897 0 40 GFAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1ccco1 49406227 RALXROLCSFGBER-UHFFFAOYSA-N 399.838 2.548 0 40 GFAB Cn1cc(-c2nccnc2CNC(=O)COc2ccc(Cl)cc2Cl)cn1 575619237 JNBKPUWYFQYUQU-UHFFFAOYSA-N 392.246 2.879 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 618255353 BKQNCPTUABEARP-GFCCVEGCSA-N 397.547 2.839 0 40 GFAB NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 4224197 AUFYEIHONOORSE-UHFFFAOYSA-N 390.471 2.806 0 40 GFAB CCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Cl)c1 20068930 YVMXAEFUDJOHLV-KBPBESRZSA-N 381.889 2.534 0 40 GFAB COc1c2c(cc3c1[C@H](c1nnnn1-c1c(C)cccc1C)N(C)CC3)OCO2 20411226 JLAHNPLKLYVUIV-GOSISDBHSA-N 393.447 2.594 0 40 GFAB biogenic Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CCc4ccncc4)CC3)c2c1 20745607 DCGWXTSFTZIMCK-OAQYLSRUSA-N 378.476 2.857 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cnc3c(C)cccc3c2=O)c1 32493274 GWJWNMWAUKAXNR-OAHLLOKOSA-N 395.459 2.990 0 40 GFAB NC(=O)[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 11808006 CHYGHZLGERBCCZ-CYBMUJFWSA-N 391.403 2.579 0 40 GFAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 2664487 IPDAXUUCSMNSLP-MRVPVSSYSA-N 380.313 2.596 0 40 GFAB CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)c1 22995987 TUTKNGDREGNWPH-LBPRGKRZSA-N 393.399 2.671 0 40 GFAB CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[C@H]1c1ccccc1 12296626 CRTKFYNHSTYBSF-ITTUMRLJSA-N 383.536 2.977 0 40 GFAB biogenic CCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1O[C@@H](C)C(=O)N(C)C 24079768 LZERYRXTQAWGAU-ORAYPTAESA-N 383.448 2.795 0 40 GFAB COCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 20889168 GCHOQQVQCWPJBN-UHFFFAOYSA-N 388.489 2.513 0 40 GFAB CCOC(=O)c1sc(NC(=O)N2CCO[C@@H](C)C2)c(C(=O)OCC)c1C 24652848 IPHMHWBSPSTFLQ-JTQLQIEISA-N 384.454 2.663 0 40 GFAB Cc1ccc2c(C)cc(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1C 12536767 HBMVILZQPDLSKD-CABCVRRESA-N 392.546 2.944 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)nc2)CC1 34863289 YDUVZABYWQLNMB-UHFFFAOYSA-N 385.848 2.603 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NC[C@@H](c3ccsc3)N(C)C)CC2=O)c1 25332377 XTQVTWQQDOECBN-QAPCUYQASA-N 387.505 2.529 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)CCCNC(=O)c3ccsc3)CC2)cc1 12565383 RNGDGVXPLCAHRB-UHFFFAOYSA-N 399.516 2.810 0 40 GFAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCC(=O)NC2)cc1 72062909 HYNSREDUBFVLIS-LJQANCHMSA-N 388.471 2.915 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)C1 12623237 JUWLXUNHCPLGRK-QUJCMNEKSA-N 377.872 2.612 0 40 GFAB CC[C@@](C)(CNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)N1CCOCC1 58023020 XERDJHNQNNSVDM-CTNGQTDRSA-N 391.512 2.867 0 40 GFAB COc1ccc(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c(OC)c1 58265378 UGWPQSKRYKPQFI-UHFFFAOYSA-N 377.404 2.849 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cn3ccc(C)cc3n2)cc1 58213129 VBWYYHYWJJQYKK-GOSISDBHSA-N 378.432 2.895 0 40 GFAB COC(=O)c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ccc1Cl 10314637 JNVNWDORLIKKBF-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(NC(C)=O)c1 58417430 GTGZVBXQOYCKBO-UHFFFAOYSA-N 375.450 2.967 0 40 GFAB CC(C)n1ncc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cnc21 12770022 RAJHCNPKLBULON-UHFFFAOYSA-N 387.465 2.515 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(=O)c2ccccc2o1 28289071 WYMQQFBGMUSASN-OAHLLOKOSA-N 384.457 2.658 0 40 GFAB CCOC(=O)C1CCN(CC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)CC1 2306388 GPEFNYWJFVGGSX-UHFFFAOYSA-N 383.492 2.636 0 40 GFAB O=C(CCNC(=O)c1cccs1)NCc1ccc(N2CCCCCC2)nc1 48261926 YSURZIYCXDKREK-UHFFFAOYSA-N 386.521 2.960 0 40 GFAB COc1cc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)ccn1 48356062 PRAAOMSOAHCPOF-UHFFFAOYSA-N 386.433 2.559 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1C 12951228 ZKULMNPNNXXCKR-IBGZPJMESA-N 386.517 2.830 0 40 GFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 12943759 QZJWEGZQIWLIRA-IAGOWNOFSA-N 393.553 2.625 0 40 GFAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccccc2)C1=O 12948562 GAPBIYIUQPQVPY-XMSQKQJNSA-N 395.434 2.956 0 40 GFAB O=C(NCc1nnc2ccccn12)c1ccc(-n2cc(Br)cn2)cc1 12980087 BMALEONXUATQFD-UHFFFAOYSA-N 397.236 2.608 0 40 GFAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCc1ccc2c(c1)OCO2 4251878 VOYKGFWUWQEZOV-CYBMUJFWSA-N 396.472 2.790 0 40 GFAB COc1cccc(-n2cnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 6163592 NMPDUCHMUIWDPA-UHFFFAOYSA-N 396.428 2.582 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)COCC(=O)NCc2cccc(Br)c2)C1 18181531 DAEFGGGFCSOEFJ-OKILXGFUSA-N 397.313 2.586 0 40 GFAB CCCN1C(=O)[C@](O)([C@H]2COC(C)(C)CC2=O)c2cc(Br)ccc21 5274381 MSPZCHQDXXVZOI-SCLBCKFNSA-N 396.281 2.778 0 40 GFAB O=C(NCCCN1CCCC1=O)c1cn(-c2ccccc2)nc1-c1cccnc1 14065004 YOROXNZHHSGZQK-UHFFFAOYSA-N 389.459 2.677 0 40 GFAB Cc1ccc(Cl)c(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 5347449 PBYUPOZRWVVIKL-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@H]1c1cccs1 14160532 SNNHVYJPLPBVGX-INIZCTEOSA-N 387.505 2.957 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 4514294 HFYSYPISWNFOFK-OAQYLSRUSA-N 381.407 2.572 0 40 GFAB COc1ccccc1CNc1nc2[nH]c(C)c(Cc3ccccc3)c(=O)n2n1 18219913 GQPYLXNFUUEKQG-UHFFFAOYSA-N 375.432 2.938 0 40 GFAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cccc(Cl)c1 67285565 MPUSUCFPYAMDNG-KRWDZBQOSA-N 377.872 2.997 0 40 GFAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 15578568 VZHCOUFRQNVCOE-UHFFFAOYSA-N 375.310 2.863 0 40 GFAB CCCn1nnnc1COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 7696274 BQZIAWHSHVGECK-UHFFFAOYSA-N 393.447 2.712 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7837760 GJFUBJDWXLFDHD-IEBWSBKVSA-N 394.471 2.904 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1 7891720 FMUYYBSDFYMJLA-UHFFFAOYSA-N 376.815 2.985 0 40 GFAB C[C@@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8010870 LRZCXFIWOGZZCU-HNNXBMFYSA-N 376.478 2.815 0 40 GFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccccc1Cl 8076890 YQNBMBZSNCILBS-UHFFFAOYSA-N 385.851 2.513 0 40 GFAB COC(=O)[C@@]12CCC[C@H]1CN(C(=O)CCSc1ccc3c(c1)OCCO3)C2 96007870 ZPUFXDXSNHZOCX-VBKZILBWSA-N 391.489 2.742 0 40 GFAB COc1ccc(CNC2=N[C@H]([C@H]3CC=CCC3)n3c(nc(C)cc3=O)N2)cc1 9426311 IVIIJBQRVGWIQK-LPHOPBHVSA-N 379.464 2.987 0 40 GFAB CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O 95439422 NJDPUXFVSYTCAS-IBGZPJMESA-N 383.383 2.572 0 40 GFAB O=C(CSCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2oc(=O)ccc2c1 20732072 HSDNYSHFULGHDF-UHFFFAOYSA-N 393.424 2.901 0 40 GFAB O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n[n+]1CCN1CCCCC1 25182909 SYFXEYPUMGMLND-UHFFFAOYSA-O 392.483 2.604 0 40 GFAB CN(C)C[C@H]1[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 22591158 PIJASLBJPRDNRA-QNWVGRARSA-N 386.536 2.632 0 40 GFAB O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1nccc2ccccc12 546014702 XYQXARIXQCQQNS-UHFFFAOYSA-N 375.428 2.637 0 40 GFAB CC(C)(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 32768063 QLPRIOFVJQLYSA-UHFFFAOYSA-N 391.493 2.585 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408561233 HFWKIGDTOPSINU-UHFFFAOYSA-N 386.832 2.795 0 40 GFAB COC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 30209228 FFRRDSOILGDUMA-INIZCTEOSA-N 386.473 2.798 0 40 GFAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)Nc1ccc(F)cc1 64593444 OQFCLWJONWVEGG-UHFFFAOYSA-N 395.419 2.750 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N[C@H]1CCCc2ccccc21 219445099 ONSKQECHQDQIRG-SFHVURJKSA-N 398.484 2.805 0 40 GFAB O=C(NCCN1CCOCC1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225269310 IMWNXWKXISMKMA-UHFFFAOYSA-N 384.867 2.945 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)NCC1CCCCC1)S(C)(=O)=O 223672537 MTPGEGDWDHOONY-UHFFFAOYSA-N 388.917 2.811 0 40 GFAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149656 OJXYCXAAXXSPCN-UXHICEINSA-N 399.564 2.769 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccco2)cc1Cl 44949795 PTUNASDMEOBMQO-UHFFFAOYSA-N 388.898 2.968 0 40 GFAB CC[C@H](C(=O)N1CCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220625381 IDRVCOJRANPISP-GOSISDBHSA-N 388.489 2.829 0 40 GFAB C/C(=C\C(=O)NS(=O)(=O)c1ccc2nn[nH]c2c1)c1cccc(Cl)c1 585086588 ZSSBHQSNEQDUGN-JXMROGBWSA-N 376.825 2.520 0 40 GFAB COc1ccccc1Oc1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)cc1 542744483 KIFPTSCMWZVQCB-GOSISDBHSA-N 397.475 2.714 0 40 GFAB Cn1ccnc1C(NC(=O)Nc1nc2c(s1)CCC2(C)C)c1nccn1C 529121587 MRIMAGXUMCJVMX-UHFFFAOYSA-N 385.497 2.745 0 40 GFAB O=C1N(CCc2ccccc2)CC=CC[C@]12CN(Cc1ccccn1)CCO2 257251224 JPYFMSDMEAEMKE-QHCPKHFHSA-N 377.488 2.684 0 40 GFAB COc1ccc(-c2c(S(C)(=O)=O)cnc3nc(-c4ccccc4)nn23)cc1 618256970 PKXADELZZJAHSP-UHFFFAOYSA-N 380.429 2.870 0 40 GFAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 260508173 PXQMBAISIJERMH-FUHWJXTLSA-N 382.526 2.570 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 90612680 DGWOVPPDAFJWOK-OAHLLOKOSA-N 390.823 2.556 0 40 GFAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CCO[C@@H]2CC2(F)F)C1=O 663938321 CASFEWGHYKEPKH-BXUZGUMPSA-N 389.196 2.640 0 40 GFAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc(OC)c(Cl)c2)Cc2cccn2C1 585099086 JXKKLHKOBDGXRM-ZDUSSCGKSA-N 375.856 2.558 0 40 GFAB CC[C@@]1(CNC(=O)N2CCc3c(cccc3C(N)=O)C2)OCCc2ccccc21 585094484 PKIDCJIEGJWGHX-QHCPKHFHSA-N 393.487 2.731 0 40 GFAB COc1ccc([C@@](C)(NC(=O)Cc2cc(C(C)=O)ccc2OC)C(=O)O)cc1 95463987 QXKNLCBCUIZZST-OAQYLSRUSA-N 385.416 2.565 0 40 GFAB O=C(CN1CCN(C(=O)/C=C/c2cccc(F)c2)CC1)Nc1cccc(F)c1 12988754 MZBUITRLDLLERL-BQYQJAHWSA-N 385.414 2.761 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cc1ccc2c(c1)OCO2 13226880 VQSBZVNBMAJELG-ZBFHGGJFSA-N 376.416 2.597 0 40 GFAB Cc1ccc2nc(C(F)(F)F)n(CC(=O)N[C@H](C)CCN3CCOCC3)c2c1 19221449 OBUMVUQBJSXIGG-CQSZACIVSA-N 398.429 2.591 0 40 GFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(CCc1ccccc1)C2 19708594 XVFNKTNKEAHCPE-FQEVSTJZSA-N 379.508 2.803 0 40 GFAB C[C@H](CN(C)C(=O)Cn1cc(NC(=O)c2ccccn2)cn1)c1ccccc1 19749435 LUBVBUDJUBCGAF-MRXNPFEDSA-N 377.448 2.793 0 40 GFAB Cc1cc2nn(-c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc2cc1N 226305706 GYWCROAJLNRIJW-CQSZACIVSA-N 385.493 2.874 0 40 GFAB CC(=O)Nc1nc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cs1 12219597 MFLVRKZOBWJBAQ-UHFFFAOYSA-N 398.448 2.566 0 40 GFAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)c1c[nH]c2ccccc12 5204428 DIISMCZOLPYTQQ-KBPBESRZSA-N 380.400 2.924 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(O)n2)cc1 1888982161 IQUOIQSLRKCPHF-UHFFFAOYSA-N 399.476 2.971 0 40 GFAB CCS(=O)(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888989105 WOQHAGLHSDUJDK-UHFFFAOYSA-N 383.477 2.616 0 40 GFAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCN1CCOCC1 19619096 VGMSTABHTXZGDE-UHFFFAOYSA-N 398.569 2.908 0 40 GFAB COc1ccccc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985870 ZHANPFBKCMVKKA-JOCHJYFZSA-N 380.444 2.591 0 40 GFAB CCCn1c(S)nc2cc(C(=O)N(CCO)Cc3ccccc3)ccc2c1=O 3043680 XKCHQCMAWYAVTP-UHFFFAOYSA-N 397.500 2.730 0 40 GFAB O=C(NCCn1ccc2ccccc21)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4272664 TZJHEMSDCINTFB-QGZVFWFLSA-N 380.423 2.885 0 40 GFAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCC(C(N)=O)CC3)c(Cl)c12 5313791 KHRKPGGJDBHNGN-UHFFFAOYSA-N 397.866 2.720 0 40 GFAB COc1ccc(N2C[C@H](CNC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 9039186 ZNGSNRMUJPIRDY-AWEZNQCLSA-N 399.447 2.887 0 40 GFAB COc1ccccc1Cn1c(=O)c2cccnc2n(Cc2cccc(F)c2)c1=O 9831023 QNOWSPGMCXBVSR-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB Cc1ccc(=O)n(CC2CN(C(=O)c3sc(-c4ccccc4)nc3C)C2)n1 1775967413 QOLFTGRFXAYSFZ-UHFFFAOYSA-N 380.473 2.756 0 40 GFAB CCN1CCN(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)C(=O)C1=O 206882065 NTXYGXJIZWRQJB-HNNXBMFYSA-N 377.872 2.720 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 30057327 HMFARJIDCMHVLZ-UHFFFAOYSA-N 395.503 2.548 0 40 GFAB O=C(NCCc1cccc2cccnc12)NCc1ccc(N2CCOCC2)nc1 31099110 MTPPLEPSOFBJBE-UHFFFAOYSA-N 391.475 2.508 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cn3cncn3)cc2)c1 11646076 JEVYIZXINKZTOY-UHFFFAOYSA-N 390.852 2.636 0 40 GFAB O=C(NS(=O)(=O)c1c(Cl)nc2ccccn12)c1cc(F)c(F)cc1F 89878841 FQUTXPVOIYOVFQ-UHFFFAOYSA-N 389.742 2.524 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 784390 LBAATDUQKISJOZ-UHFFFAOYSA-N 396.852 2.516 0 40 GFAB Cc1ccccc1Cn1c(Oc2ccccc2C)nc2c1c(=O)n(C)c(=O)n2C 851298 ZWPKTCFBVURTIN-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)NCc1ccco1 2717772 UBFDUKDZTKVKRB-UHFFFAOYSA-N 381.417 2.523 0 40 GFAB CC[C@H](C)n1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O 20757993 BOZXGOZPEVRBCU-KPZWWZAWSA-N 382.464 2.662 0 40 GFAB biogenic CCOc1cc(C(=O)Nn2c(C)nnc2SC)cc(OCC)c1OCC 6892287 HYDBGIYTMDJPAJ-UHFFFAOYSA-N 380.470 2.888 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C 7362070 FEEUEJAOZWCMNT-UHFFFAOYSA-N 376.478 2.928 0 40 GFAB Cc1cc(=O)n2nc(COC(=O)c3c(C)nn(-c4ccccc4)c3C)sc2n1 7767268 YLZXSOYZLCSHEA-UHFFFAOYSA-N 395.444 2.619 0 40 GFAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(C2CCCCC2)C1=O 101984029 NDOYUNMDOKCWME-CQSZACIVSA-N 393.447 2.938 0 40 GFAB C[C@H]1NC(C(=O)N[C@@H](c2ccccc2)c2ccccn2)=NN(c2ccccc2)C1=O 32966575 IIZFEXFIKFZMPN-UZLBHIALSA-N 399.454 2.626 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 16202835 MTUQGYXFDZIGHV-UHFFFAOYSA-N 397.294 2.793 0 40 GFAB COc1cccc(CN(C(=O)/C=C/c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 2908173 IATFLCWKNTUPQK-GNISGLHKSA-N 385.485 2.924 0 40 GFAB Cc1cc(C(=O)Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)no1 7989285 RENVVCIVSDNFTN-UHFFFAOYSA-N 392.462 2.755 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c1C 53669674 SETAIMLKIPXAGO-UHFFFAOYSA-N 377.418 2.598 0 40 GFAB Cc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c1 879133 JJAJMLMJIUGDJQ-UHFFFAOYSA-N 395.484 2.902 0 40 GFAB CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1 23508329 WADUQFSVIHINPF-UHFFFAOYSA-N 375.494 2.771 0 40 GFAB O=C(C[C@@](O)(c1ccco1)C(F)(F)F)NCCCn1cnc2ccccc21 12548264 UYNAJDIWQCVLBX-QGZVFWFLSA-N 381.354 2.976 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccccc1C 12546212 YHTDZDYMVNVJPV-UHFFFAOYSA-N 375.494 2.858 0 40 GFAB CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2cccs2)nc2ccccc12 24988513 LSWMTJGFLBKOHE-UHFFFAOYSA-N 395.484 2.894 0 40 GFAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCC3(CC2)OCCO3)cc1 24995875 GZUJAZCRSMYOPL-UHFFFAOYSA-N 386.448 2.778 0 40 GFAB CCn1c(=O)c(C(=O)NCCc2ccc(OC)c(OC)c2)c(O)c2ccccc21 100811359 RQIWFRHFRNBTMP-UHFFFAOYSA-N 396.443 2.717 0 40 GFAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 20110551 PWJNDUNVDHCBKY-HNNXBMFYSA-N 376.478 2.508 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CCn3nc(-c4cccs4)oc3=O)cnc21 8127825 NOBLEZJUGWOUJI-UHFFFAOYSA-N 398.448 2.919 0 40 GFAB COc1ccc(CCNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1OC 12608715 GRPKWJIJYLZDJN-UHFFFAOYSA-N 395.459 2.622 0 40 GFAB biogenic Cc1nc2c(C(=O)O)nc(-c3cccs3)cc2n1[C@@H]1CCS(=O)(=O)C1 35682605 NTPADBXLVCKHRI-SNVBAGLBSA-N 377.447 2.526 0 40 GFAB C[C@@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12621594 PAVWDBLISWXAER-HNNXBMFYSA-N 376.478 2.815 0 40 GFAB COc1ccc(CCN(C)C(=O)COC(=O)/C=C/c2ccc(C)o2)cc1OC 3360781 NCHKMOKNCYNLCJ-CSKARUKUSA-N 387.432 2.863 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c1 3344273 DIISTUBAVKNOPB-AWEZNQCLSA-N 397.431 2.808 0 40 GFAB CCOC(=O)CCCNC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 3312243 MLAGXDNLYIMFDR-UHFFFAOYSA-N 386.235 2.775 0 40 GFAB CN1C(=O)c2ccc(NC(=O)c3ccc(C(=O)NC(C)(C)C)cc3)cc2C1=O 58217179 UDUCTCSLSTXIFT-UHFFFAOYSA-N 379.416 2.693 0 40 GFAB COC(=O)c1sc(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)nc1C 58381413 CUPYOHCRMVCECE-ZDUSSCGKSA-N 393.440 2.770 0 40 GFAB COC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CCC3 2223837 TZLHDWZQNXTZMC-UHFFFAOYSA-N 390.848 2.529 0 40 GFAB NC(=O)Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)s1 12749205 GTKAOEIUSCKDCH-UHFFFAOYSA-N 399.501 2.739 0 40 GFAB Cc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3C(N)=O)c2C)cc1 12820088 QCPKWGYSOPWACU-UHFFFAOYSA-N 378.432 2.914 0 40 GFAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(OC(F)(F)F)cc1 3497683 BZFUUIBMSZFNKF-OAHLLOKOSA-N 397.305 2.907 0 40 GFAB COc1ccc(Br)cc1CN(C)CC(=O)NC(=O)NC(C)(C)C 3586153 YXWAMZWOICDURG-UHFFFAOYSA-N 386.290 2.514 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1ncc(Cl)n1C 12928019 WSHUZMBDFQMQGY-LJQANCHMSA-N 398.898 2.549 0 40 GFAB COc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12977202 GHQQBVAKRQEJGN-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1Br 3886254 MRDCGNWZIAKLBP-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCc1ccco1 4287527 UUPGRNAGZUDSKR-UHFFFAOYSA-N 393.472 2.737 0 40 GFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 6389376 POLXQPSXLOACQF-UHFFFAOYSA-N 384.860 2.999 0 40 GFAB CN(Cc1ccsc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 17370997 GGMWJSHFJCROAC-UHFFFAOYSA-N 378.519 2.807 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)[C@H](C)c1ccc(F)cc1 14196793 NDBJGPHUYUBJAP-OAHLLOKOSA-N 387.455 2.890 0 40 GFAB COc1ccc(C(=O)OCCc2ccccc2)cc1S(=O)(=O)N1CCCC1 14181365 AEYAOBPKRNLWBV-UHFFFAOYSA-N 389.473 2.879 0 40 GFAB CCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 4554449 DKJCOZUSLLSIHK-UHFFFAOYSA-N 380.441 2.556 0 40 GFAB COc1cccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)c1 5400358 RNGODBCGQHGEKF-UHFFFAOYSA-N 383.835 2.889 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1ccccc1 5407723 XDIYSYWBVVDJPA-QZEKMECESA-N 387.505 2.531 0 40 GFAB C[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 6581759 GHWWDTRKZOIJAH-HNNXBMFYSA-N 397.500 2.725 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 6588979 BBXUKCRAVCAPHX-UHFFFAOYSA-N 391.427 2.941 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CSc2ccc3c(c2)OCCO3)c1C 6509937 LJGPKEBFKIAQHM-UHFFFAOYSA-N 386.473 2.922 0 40 GFAB C[C@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 6649626 ACGUUQXXJOSKSX-NSHDSACASA-N 385.807 2.611 0 40 GFAB Cn1c(=O)n(C)c2cc(CNS(=O)(=O)c3ccc4ccccc4c3)ccc21 4783750 MQRXYKCVMHXGPW-UHFFFAOYSA-N 381.457 2.509 0 40 GFAB O=C(c1ccsc1)N1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306143638 YHMXBILYHCGPLB-HNNXBMFYSA-N 397.504 2.647 0 40 GFAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1C(=O)NC1CC1 5850040 DHLQOFXIYMYLDR-UHFFFAOYSA-N 389.411 2.923 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1cccs1 6984474 SEXGNRMFYIYLQN-LFAOLKIESA-N 393.534 2.593 0 40 GFAB CCCOC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18246900 VRRBWSRWAWGVFI-ZAYGCWILSA-N 375.424 2.832 0 40 GFAB COc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1S(=O)(=O)N(C)C 7241076 QAOJZFHQPDHFCB-UHFFFAOYSA-N 386.832 2.990 0 40 GFAB O=C(Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8945933 VNOAJSCSTOEKIT-UHFFFAOYSA-N 379.869 2.878 0 40 GFAB CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20457815 XPGWNJVZUPRNKK-UHFFFAOYSA-N 388.489 2.663 0 40 GFAB COc1ccc(OC[C@@H](O)CN2CCN(c3nsc4ccccc34)CC2)cc1 71282533 YCMMFUQEQABNTP-INIZCTEOSA-N 399.516 2.867 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2CCc3ccccc32)c1C 9368681 DVVZXUNNZDAXGO-UHFFFAOYSA-N 387.505 2.555 0 40 GFAB COC(=O)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCC2 9486455 DKDFFHYFCIAAQG-UHFFFAOYSA-N 395.440 2.822 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2O)c1 72301034 IRVBFDKQLDNDLV-UHFFFAOYSA-N 388.239 2.973 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1ccc2ccc(Cl)cc21 72402026 DFUFLXQGPQRJTI-UHFFFAOYSA-N 380.835 2.890 0 40 GFAB CC(C)CN1CC[C@@H](CNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)C1 84713767 LZIVSHNPXFMHFQ-KSZLIROESA-N 389.544 2.795 0 40 GFAB CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 409075217 XMJUYTMGIVCTAF-UHFFFAOYSA-N 398.525 2.553 0 40 GFAB COCCn1cnc2c1C1(CCN(Cc3cnn(C)c3)CC1)Oc1ccccc1-2 306136933 QHAKRWGDNJPPHA-UHFFFAOYSA-N 393.491 2.814 0 40 GFAB NC(=O)c1ccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)cc1 36358449 DCIGPHYUVHXYTL-UHFFFAOYSA-N 398.422 2.796 0 40 GFAB CCn1cnc2c(c1=O)CCN(C(=O)C1(c3cc(F)cc(F)c3)CCCC1)C2 529142487 LKRQBXSZIDQUIB-UHFFFAOYSA-N 387.430 2.938 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 11866806 GQEDXGPXHWISOL-ZMZPIMSZSA-N 375.421 2.713 0 40 GFAB biogenic Cc1nc2c(o1)CCC[C@H]2CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 1553525204 GQZJIQDIOGRJQQ-INIZCTEOSA-N 385.439 2.917 0 40 GFAB CC(C)OCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 71289148 LJGOCPHPMVYGMA-UHFFFAOYSA-N 388.917 2.815 0 40 GFAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C(N)=O)cc2C)c1 32913580 IXVCLLFNGGXDOD-UHFFFAOYSA-N 381.461 2.962 0 40 GFAB Cc1cc(NS(=O)(=O)Cc2ccc(F)cc2)ccc1N1CCCS1(=O)=O 36091543 NJJPGAWSQUUMRA-UHFFFAOYSA-N 398.481 2.616 0 40 GFAB COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224951516 ZFNOXVBFMWHQHQ-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)nc1n2CCOC1 40286786 MXEMSJKISWAKBB-LJQANCHMSA-N 381.388 2.865 0 40 GFAB Cc1ccccc1OCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223690430 BNAZIDHMJGOISQ-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)n2cc(C(=O)OC)c3ccccc32)cc1 222615986 MOMMXMAUYMWCFP-UHFFFAOYSA-N 387.413 2.593 0 40 GFAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223569138 KEWFSYBOQQVOQO-WOJBJXKFSA-N 394.500 2.846 0 40 GFAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 224050443 KUCYBMFYDHHUFF-KRWDZBQOSA-N 384.476 2.670 0 40 GFAB CN(C)[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)c1cn(C)c2ccccc12 77171663 ZEDXDGYFYAKFGP-LJQANCHMSA-N 392.459 2.505 0 40 GFAB O=C(CNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96118086 MSPKKPZNBNLBTB-CQSZACIVSA-N 383.839 2.535 0 40 GFAB COc1ncccc1CNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 244933299 CLFLUTCJSIYSNZ-UHFFFAOYSA-N 377.828 2.626 0 40 GFAB OC[C@H]1[C@H](O)C[C@@H](NC2CCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382305 NRZATCAWOURNJI-VURPSTOHSA-N 385.483 2.715 0 40 GFAB biogenic,in-vitro CCN(CC)S(=O)(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257317091 VIJWGAZDQFWKIZ-RWQQGDIJSA-N 394.537 2.965 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257314583 UXPOICYFVUQNID-UHFFFAOYSA-N 396.476 2.579 0 40 GFAB O=C(N[C@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 653331849 XCFTXBNUFCBZJF-FJIDUMEYSA-N 379.412 2.991 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1cc3ccccc3oc1=O)CS2 90609745 LNNNUHNXTJHZQY-ZDUSSCGKSA-N 397.456 2.581 0 40 GFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1N1CCCC1=O 585105611 ZSWVDKLVEZLYFO-JTDSTZFVSA-N 398.425 2.734 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1 585292950 QEQQUHYAUCBPEX-BBVFFXRHSA-N 386.459 3.430 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@@H]3CCCO3)C2)cc1)C1CC1 585102254 VNFNPYTTZNSPTE-NZQKXSOJSA-N 397.519 2.895 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)c1 585106757 HNVDCKWJOQOYHJ-NFBKMPQASA-N 378.472 2.770 0 40 GFAB Cn1nc(CNS(=O)(=O)c2ccc(Br)s2)c2c1CCCC2 96099177 DEKHIMOSPYSLNW-UHFFFAOYSA-N 390.328 2.601 0 40 GFAB CCc1nc(N2CCOCC2)ncc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 12194856 PFFVWDRNXTXRAF-OAHLLOKOSA-N 380.492 2.855 0 40 GFAB COc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(C)n1 12223631 FEZDDIUOKDGZPI-UHFFFAOYSA-N 380.370 2.775 0 40 GFAB COc1ccccc1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)OCCO2 12238266 GGLSLZHBFOMUIB-UHFFFAOYSA-N 384.476 2.599 0 40 GFAB CC(C)c1nc(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)ncc1-c1ccncc1 19451593 NXLSLOMUADZGPD-IBGZPJMESA-N 395.507 2.926 0 40 GFAB O=C(O)c1coc(CN2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)n1 630679764 MTDYTYGHNHULLA-KBPBESRZSA-N 378.375 2.752 0 40 GFAB O=C(CCC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)c1cccs1 19374752 OIGJTTDKKMECGQ-OAQYLSRUSA-N 398.484 2.895 0 40 GFAB COc1ccc(C[C@@H](C)N2C[C@@H](N)[C@H](c3cn(C)c4cnccc34)C2)cc1OC 19456771 IIYSUKUOQDVQBF-UIAACRFSSA-N 394.519 2.948 0 40 GFAB C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NC(C)(C)C 21702434 BZBLPTKAKYOIRR-CYBMUJFWSA-N 377.514 2.915 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](N(C)c3ncccc3C(F)(F)F)C2)cn1 1889130341 BLDZGUCUKUSRDE-CYBMUJFWSA-N 379.386 2.940 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccccn3)C2)c(C)c1 238869766 MPNKAAZTUJTWMC-MRXNPFEDSA-N 389.477 2.581 0 40 GFAB O=C1COc2ccccc2CCCC[C@H]2CN(Cc3ccnnc3)CC[C@H]2N1 2037988872 MFLKJWDJKKFFSD-VQTJNVASSA-N 380.492 2.589 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)no1 4078648 JWKCTPSGSBGYRP-STQMWFEESA-N 377.466 2.902 0 40 GFAB CN(C(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1 4479161 YRNNZKJWGJJPFM-UHFFFAOYSA-N 393.834 2.899 0 40 GFAB Cc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)c1 16851221 OOLPFPAFDBYYEV-UHFFFAOYSA-N 382.445 2.963 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559862 NYAGDRBAMOPZGF-UHFFFAOYSA-N 375.354 2.939 0 40 GFAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCc3ccncc3)cs2)cc1 35596777 ZTRIAQAGTDCONX-UHFFFAOYSA-N 388.474 2.615 0 40 GFAB COc1ccc(NC(=O)Cn2nc3c4cccc(C)c4ncn3c2=O)cc1Cl 44165975 BPBUDJCCKCUPCH-UHFFFAOYSA-N 397.822 2.653 0 40 GFAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCO)cc1C 206597419 AXBRIKVTZQMMQJ-UHFFFAOYSA-N 389.502 2.798 0 40 GFAB O=c1ccc(-c2ccncc2)nn1CC1CCN(CC2(O)CCCCC2)CC1 585502984 JUKSFQOZGKJJSU-UHFFFAOYSA-N 382.508 2.713 0 40 GFAB C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 2331072 IOZCMLNKCHMITF-AWEZNQCLSA-N 376.453 2.545 0 40 GFAB COc1cc(I)c(Cl)cc1C(=O)N1CCO[C@@H](C)C1 40073941 VTOYNQPJGCKWNT-QMMMGPOBSA-N 395.624 2.814 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(NC(=O)c2ccncc2)CC1 40135064 ZQEQVCFMTDWSNR-UHFFFAOYSA-N 397.523 2.514 0 40 GFAB COc1cccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)c1 51315790 RTKGSQJQHGXVFY-UHFFFAOYSA-N 386.452 2.778 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccsc2)CC1 29156581 GXSGXZXPFQAHGK-OAHLLOKOSA-N 387.505 2.664 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1nccs1)CC3 20763415 DZHVUEMXIDQXSA-UHFFFAOYSA-N 384.461 2.937 0 40 GFAB biogenic CSc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)n2)cc1 101711479 AHLKAQMSOXXSMX-XIRDDKMYSA-N 381.501 2.961 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)c1nn(-c2ccccc2Cl)nc1CO 21172737 AXMRRUFSHWKTCM-UHFFFAOYSA-N 395.850 2.867 0 40 GFAB O[C@@]12C[C@H](C(Cl)(Cl)Cl)O[C@]1(O)C[C@@H](C(Cl)(Cl)Cl)O2 4416923 ILZPXCIRVHHHJM-JGWLITMVSA-N 380.866 2.682 0 40 GFAB COCCNC(=S)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 4888583 PMWOQZSGKWCTMC-UHFFFAOYSA-N 377.554 2.699 0 40 GFAB CCOc1cc(Br)c([C@@H]2CC(=O)Nc3ncnn32)cc1OCC 6207161 KNTIPBJKQVFCFF-NSHDSACASA-N 381.230 2.770 0 40 GFAB Cn1c(=O)n(CCC(=O)Nc2cc3c(cc2Cl)OCCO3)c2ccccc21 32893094 MDBSSSKHCNYYEW-UHFFFAOYSA-N 387.823 2.793 0 40 GFAB CCn1nc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)c2ccccc2c1=O 6886882 SACFHKAZONLLJM-UHFFFAOYSA-N 379.372 2.600 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 7910361 NZIYVGOVPWMENP-UHFFFAOYSA-N 379.460 2.784 0 40 GFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccccc1 2664808 CIBHYXOIDMJEHH-UHFFFAOYSA-N 399.450 2.798 0 40 GFAB CCOC(=O)CN(CCOC)S(=O)(=O)c1ccc(C2CCCCC2)cc1 32932923 RJGZHFHZQCAAOX-UHFFFAOYSA-N 383.510 2.935 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CSCC(=O)O)C1 8623964 YPMFRPKYQQXEAQ-QZTJIDSGSA-N 399.516 2.894 0 40 GFAB biogenic,in-vitro C[C@H](OC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)C12CC3CC(CC(C3)C1)C2 103325778 BFYDXDCBJXAKBM-OHZWPDPMSA-N 399.487 2.655 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(Cc2cc(C)on2)CC1 53286509 JDIKISIVNBXWEV-NRFANRHFSA-N 394.475 2.591 0 40 GFAB O=C(CCNC(=O)c1ccsc1)Nc1nc(CN2CCCCC2)cs1 22289891 NMVUXGDPLSRQTO-UHFFFAOYSA-N 378.523 2.949 0 40 GFAB Cc1nnc(NC(=O)Nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)s1 103557901 WBQHAGMAWOGWHJ-UOVKNHIHSA-N 395.444 2.802 0 40 GFAB CCN(C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1nc2ccccc2s1 23042111 UOKDMGXXBXCGGO-KBPBESRZSA-N 383.473 2.991 0 40 GFAB COc1cccc(-c2noc(CN3CCN(CCOc4ccccc4)CC3)n2)c1 23286005 MPAARUDMGDNUMX-UHFFFAOYSA-N 394.475 2.942 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nnc3ccccn23)C1 55083929 LODDJMOCEMEXIE-CQSZACIVSA-N 379.420 2.912 0 40 GFAB Nc1c(C(=O)OCC(=O)NC[C@H]2Cc3ccccc3O2)ccc(Cl)c1Cl 61722881 WJBDRPADKGMXDJ-LLVKDONJSA-N 395.242 2.852 0 40 GFAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 57318549 YDYXVCGLRIZPBF-BRWVUGGUSA-N 379.932 2.795 0 40 GFAB CCCCn1nc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1=O 26950285 BFDRKKSAZHTSLO-UHFFFAOYSA-N 382.508 2.959 0 40 GFAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCC(=O)O)ccc12 2098953 UNCCPQVPAPFZBH-ZDUSSCGKSA-N 375.421 2.802 0 40 GFAB biogenic C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 3346060 DPGFBWOMQKXNCO-OYHNWAKOSA-N 379.460 2.865 0 40 GFAB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1Cc1ccc2c(c1)OCO2 36359433 HACVYTYHNGLIGT-UHFFFAOYSA-N 397.394 2.883 0 40 GFAB CCn1nccc1[C@@H](C)NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619432 CRHOYOHBXBQSST-LLVKDONJSA-N 379.424 2.639 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccncc1 12857833 YFZGPYOUHVDLBH-UHFFFAOYSA-N 383.433 2.789 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(C)o2)c1 17044564 QGNIPMDPOUGSCD-KRWDZBQOSA-N 396.407 2.519 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccccc2OC(F)F)cc1OC 3573420 KTHNPYZAKAKEEU-UHFFFAOYSA-N 395.358 2.778 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)n2nc(CCCO)nc2N1 13132001 COTPTGVOMGFJJS-IBGZPJMESA-N 390.447 2.526 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccc(O)cc2)N2NC(SCc3ccccc3)=NC2=N1 4176602 AZTLLKFQLHGFKX-QGZVFWFLSA-N 393.472 2.672 0 40 GFAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1cnccn1 14183523 MUBCPABZPHPCOP-ZROIWOOFSA-N 388.836 2.596 0 40 GFAB O=C(CCOc1ccccc1)NCC(=O)Nc1ccccc1Br 14142158 SALYVBULFNEDJU-UHFFFAOYSA-N 377.238 2.973 0 40 GFAB COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 4554436 MOIUTMZVSIIYBA-UHFFFAOYSA-N 394.468 2.802 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1F 8777117 LGMIHGQXUKVYBI-UHFFFAOYSA-N 388.823 2.701 0 40 GFAB Cc1ccsc1CN(C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 7185549 RAZJWOQRDQFBBC-NRFANRHFSA-N 397.500 2.799 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc3nccnc3c2)n1 9215352 LKTZHMSAEUMVOC-UHFFFAOYSA-N 387.403 2.806 0 40 GFAB O=C(/C=C/c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7671594 KXJXTVKLACEAGB-SCOAYWHSSA-N 379.416 2.737 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2F)s1 25364160 RGTJNVQTJITJIY-OAHLLOKOSA-N 382.482 2.665 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2c(C)noc2C)cc1Br 72306300 GQEXPJGTRXFYCB-UHFFFAOYSA-N 375.244 2.888 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98211694 CFUQXMXRDYSETN-UHFFFAOYSA-N 389.459 2.998 0 40 GFAB CC(C)(C)c1noc(CCC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)n1 95965400 NPYOZESXXIZEJC-MRXNPFEDSA-N 385.464 2.800 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 306132870 LUYHEHQKHBSJSK-FPOVZHCZSA-N 377.469 2.899 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cccnc2)C1=O)N1CCc2ccccc2C1 409326477 KOZHJKLBNFVOOO-LICLKQGHSA-N 379.441 2.703 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(-c4csc(C)n4)o3)CC2=O)c1 56904297 BWTUWMMXRRJHFO-NSHDSACASA-N 399.432 2.502 0 40 GFAB CCn1cc([C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c(C)n1 36619473 IOMKTQYVUXJSTM-NSHDSACASA-N 393.451 2.948 0 40 GFAB COC(=O)/C=C1\[C@@H](CC(=O)O)[C@@H](c2ccc(OC)cc2)CC[C@]1(C)C(=O)OC 32573510 LQFAEZLAAQIGEJ-ZLMMICIUSA-N 390.432 2.942 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1O 210838683 NXGKBFBLRAEUHO-MHWRWJLKSA-N 395.415 2.631 0 40 GFAB Cc1ccccc1-c1cncc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)n1 72359855 AOWLGCOOYBQVHD-UHFFFAOYSA-N 383.477 2.743 0 40 GFAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)C(C)C)CCO3)c2)cc1 72389133 APCKNRACPVICOQ-QHCPKHFHSA-N 380.488 2.943 0 40 GFAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218482467 SJKWFDKKFKNNHK-BQFCYCMXSA-N 380.849 2.651 0 40 GFAB COc1ccc(-c2noc(CNC(=O)COc3cccc(C)c3)n2)c(OC)c1 222757456 KUCONKDCKJPYGL-UHFFFAOYSA-N 383.404 2.757 0 40 GFAB CN(C)c1cnnc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 224312390 QPEBUIBGVDAFRJ-UHFFFAOYSA-N 394.401 2.916 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F 223775119 VCFSOPHWWPELCY-UHFFFAOYSA-N 383.426 2.767 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)s2)c1 225807290 QSMIBWWMGFMYFD-OUCADQQQSA-N 392.506 2.566 0 40 GFAB Cc1nn(C)c2nccc(N3CCCN(c4nnc(C(F)(F)F)s4)CC3)c12 570671871 SAQDKPCPFSUXDR-UHFFFAOYSA-N 397.430 2.864 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 222629883 WJHSXIKRHYQEHX-AWEZNQCLSA-N 386.423 2.650 0 40 GFAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935923 DZQDVMXNXSDGHZ-QFBILLFUSA-N 388.489 2.790 0 40 GFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 222885613 DNOKLXPFDZXXNI-UHFFFAOYSA-N 390.446 2.600 0 40 GFAB COCCN1CCC(c2cc3c(ncn3C(C)C)c(N(C)CCOC)n2)CC1 96155660 JIKSEHPAOPBKMZ-UHFFFAOYSA-N 389.544 2.921 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(F)cc1 96520899 UZICSSRRTLEOBG-SECBINFHSA-N 390.068 2.737 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)NC1CC1 257327659 XCFIKJDIPMAWIF-SFHVURJKSA-N 392.503 2.934 0 40 GFAB Cc1ccc(-n2ccn3c(=O)n(Cc4ccccc4Cl)nc3c2=O)cc1C 252507598 WPBFHBZUMWUIPA-UHFFFAOYSA-N 380.835 2.965 0 40 GFAB CN(C)C(=O)[C@H]1CSCN1C(=O)CCOc1ccc(Cl)cc1Cl 589481518 BQYOPOJEMXAUNG-GFCCVEGCSA-N 377.293 2.752 0 40 GFAB CC(C)[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CCN1 621150552 HNGMBEQIELIFPL-GOSISDBHSA-N 381.455 2.872 0 40 GFAB C[C@@H]1CN(c2ccc(C(=O)O)cc2)CCN1C(=O)c1cccc2c1COCC2 1119650120 MVQAMWLUADJOLT-OAHLLOKOSA-N 380.444 2.808 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)c1ncco1)N[C@@H]1CCN(c2ccccn2)C1 654506535 VDFMEUQRAUURFI-MSOLQXFVSA-N 377.448 2.932 0 40 GFAB O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CC[C@H](C(=O)O)NC1 657220341 HEQTYTSAHUXCGL-XJKSGUPXSA-N 389.839 2.705 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1C 96098627 HQZIBQXZPCUDKF-UHFFFAOYSA-N 390.509 2.656 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 585102165 FZGXRKJILKDMNJ-UHFFFAOYSA-N 389.496 2.563 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cn2)C[C@@H](C)O1 58055798 QPEQVPBAZRRHOI-HUUCEWRRSA-N 378.436 2.528 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N1CCC(c2ccc(O)cc2)CC1 55124951 YLEVXFUNXQHAOZ-UHFFFAOYSA-N 399.491 2.743 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1I 5631383 ZTLGWJCIESWHEB-NSHDSACASA-N 395.196 2.861 0 40 GFAB COCc1c(C(=O)Nc2ccccc2C(=O)OC)nnn1-c1ccc(C)cc1 11690565 VURFHNPTLFHVEO-UHFFFAOYSA-N 380.404 2.761 0 40 GFAB Cc1cccc(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 13647918 QYAZLQMFBXMWDX-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 15433945 QWFXPLXNJRAMLG-IYBDPMFKSA-N 394.537 2.600 0 40 GFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(CC4CCCCC4)C3)[nH]c(=O)c2C1 19014782 UGFWGVJGEUIZLI-GOSISDBHSA-N 398.551 2.824 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19134277 HJKJWWLCUNIABB-GOSISDBHSA-N 396.491 2.524 0 40 GFAB O=c1cc(C[C@@H](NCc2ccncc2)c2ccc(F)cc2)nc(N2CCCC2)[nH]1 19332504 NLMWQFJGYJDHQL-HXUWFJFHSA-N 393.466 2.978 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19402889 KMMCMSBSXFINMB-UHFFFAOYSA-N 392.434 2.920 0 40 GFAB COc1ccc(CC(=O)N[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1 19445723 NIBODWYZBXMWRL-NRFANRHFSA-N 392.459 2.897 0 40 GFAB CC(C)c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(N3CCCC3=O)cc1)CC2 19453759 UKENSTYUDIQRMI-UHFFFAOYSA-N 380.492 2.621 0 40 GFAB O=C(NC1CCOCC1)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 19706077 ZTUTYSXYEMHZPA-SFHVURJKSA-N 380.492 2.765 0 40 GFAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCC(C(N)=O)CC1 19718680 SEKPDECFVGLNRV-UHFFFAOYSA-N 388.899 2.514 0 40 GFAB COc1ccccc1CNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937688 JTLQAXCHWWZNHK-UHFFFAOYSA-N 383.835 2.958 0 40 GFAB Cc1cc(S(=O)(=O)N2CCN(Cc3ncccc3Cl)CC2)c(C)s1 528407443 GJGVOQRLBPTLQT-UHFFFAOYSA-N 385.942 2.920 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@H]1CCCO1)[C@]1(C2)NC(=O)c2ccccc2N1 253596411 QVXMXTCAIIWPSN-ZCYBMSBGSA-N 383.492 2.660 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C5CC5)n4)CC3)nc(C)n2)n1 1888906435 ZBBALXRDJPLGRI-UHFFFAOYSA-N 390.495 2.582 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889211585 NNRZXOSWSPFGHI-UHFFFAOYSA-N 379.420 2.827 0 40 GFAB O=C(c1cncc(F)c1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995731 GQPMPKPMAHXWHB-LLVKDONJSA-N 395.232 2.704 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037840788 QWFKZACJDXIFGH-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940810 FMGOJPXLQGQGRA-SNVBAGLBSA-N 394.836 2.520 0 40 GFAB COc1ccc(/C=C\C(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 8987837 AXLUPTFNIPRKBD-VCELZJIISA-N 394.427 2.606 0 40 GFAB COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 9067075 BQCSZFMKCWVHRE-QGZVFWFLSA-N 385.439 2.682 0 40 GFAB COc1coc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1=O 16850802 PXALUYWKSCPWEZ-UHFFFAOYSA-N 382.338 2.630 0 40 GFAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCN(C)CC3)c(O)n2n1 22577850 QWSUQMKZFRFLRX-HNNXBMFYSA-N 375.473 2.535 0 40 GFAB O=c1ccc(-c2ccccc2)nn1C1CCN(S(=O)(=O)c2ccccc2)CC1 1775970703 ICZAGCNNXVOOBR-UHFFFAOYSA-N 395.484 2.936 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1ccc2nsnc2c1 225735919 UDHAEVSXLPZXDE-UHFFFAOYSA-N 394.504 2.759 0 40 GFAB O=C(NCC(F)(F)F)c1cccc(NCC(=O)N2CCc3ccccc3C2)c1 40039167 RQKHADSSOKMJPN-UHFFFAOYSA-N 391.393 2.976 0 40 GFAB CCNC(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@@H]1CCCO1 11770238 ZUPNDXQGUGSOMX-LBPRGKRZSA-N 395.550 2.736 0 40 GFAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 940593 WJCSSEPXWSTIBB-GOSISDBHSA-N 392.419 2.618 0 40 GFAB COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)N32)OCO4)cc(OC)c1OC 1548197 HSYGXWWIEPKNOV-ORAYPTAESA-N 399.399 2.907 0 40 GFAB C[C@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCO2 3453649 GIWGCTQXJQKGBG-QMMMGPOBSA-N 382.166 2.955 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CNCc2cccs2)cc1 4895830 VMTAIDIELWHPLB-ZDUSSCGKSA-N 381.523 2.553 0 40 GFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCNC(=O)c1ccccc1C 32768554 PVHGSLZAGJUBCM-UHFFFAOYSA-N 394.519 2.814 0 40 GFAB CN1C2=C(C(=O)CCC2)C(c2cccc(OCC(N)=O)c2)C2=C1CCCC2=O 8091666 IALHTOFFVXFTIN-UHFFFAOYSA-N 380.444 2.594 0 40 GFAB O=C(Cn1cnc2ccc(I)cc2c1=O)c1cccs1 629162 MXEFVMIGVVFDES-UHFFFAOYSA-N 396.209 2.946 0 40 GFAB COc1cc(/C=C2\NC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(F)F 2774938 XENAFUKFZAJUSE-ZWIPKHHJSA-N 384.404 2.533 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)NCc1cn2cc(Cl)ccc2n1 42798205 KAHZCLVLJXSMNT-UHFFFAOYSA-N 383.791 2.789 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 24634913 CEYICFDIUCDEEF-UHFFFAOYSA-N 387.386 2.736 0 40 GFAB CC1CCN(C(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)c2)CC1 102681600 DRDFXEVXMGDVFY-QTUASDBPSA-N 382.460 2.695 0 40 GFAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cnc21 25994766 JVVZKPJQOXHYSV-ZDUSSCGKSA-N 386.477 2.907 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCOc2ccccc2)CC1 35287199 PJUHODOFQJQCDY-UHFFFAOYSA-N 395.503 2.855 0 40 GFAB O=C(CS[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)Nc1ccccc1 104346334 ZUZAEKKXIQZBEG-HNNXBMFYSA-N 376.384 2.969 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 103512593 GMTQUPLCNPNNBD-NCXUSEDFSA-N 378.403 2.661 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1OC 12548928 JRIQPOGDDXNSCR-UHFFFAOYSA-N 386.448 2.730 0 40 GFAB CC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)cc1 51357209 GXPFFDLIRYNQMA-UHFFFAOYSA-N 378.787 2.911 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2S(C)(=O)=O)c1 108668458 OXHYDENHFZATGP-CQSZACIVSA-N 381.457 2.867 0 40 GFAB Cc1nc2ccccc2n1CCN[C@H](C(=O)N1CCOCC1)c1ccccc1 12541028 RFVJHKULARYHMH-NRFANRHFSA-N 378.476 2.534 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCc1ccncc1 17168579 RZEOJTDGTBMIMQ-UHFFFAOYSA-N 395.484 2.799 0 40 GFAB c1ccc(CN2CCO[C@@H](CNCc3csc(-c4ncccn4)n3)C2)cc1 58102377 VNEUNYYCZYEHOH-SFHVURJKSA-N 381.505 2.591 0 40 GFAB CCC(CC)C(=O)N1CCC(NC(=O)N[C@@H]2CCCc3c2cnn3C)CC1 58196892 ORFOHCQSKVIRPR-QGZVFWFLSA-N 375.517 2.524 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 12543621 KIIREVMGHBPQFW-UHFFFAOYSA-N 393.487 2.780 0 40 GFAB Cc1ccn2c(=O)cc(COC(=O)CCNC(=O)c3ccc(Cl)cc3)nc2c1 28071420 YFXLHJXUOSHVHX-UHFFFAOYSA-N 399.834 2.520 0 40 GFAB CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 3314443 MRLODTIANSNBQL-QFIPXVFZSA-N 379.460 2.865 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccccc1N1CCCC1=O 8404385 PXCQRNNLFUEMON-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB CC(C)CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12874075 DVQJTRSROFHELU-UHFFFAOYSA-N 387.311 2.915 0 40 GFAB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2)CC1 12855659 YLEMPJATOSCJID-UHFFFAOYSA-N 378.519 2.508 0 40 GFAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OCC 409225839 MAJGDMRQSBSQGZ-MDWZMJQESA-N 396.827 2.593 0 40 GFAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(NCCOC)s2)cc1 5078517 ZSOHRBBBRPBAIP-UHFFFAOYSA-N 380.495 2.920 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)cc1 6137770 OEMBRZQPFXBVDR-GFCCVEGCSA-N 396.476 2.955 0 40 GFAB N=C1Cc2ncnn2C(n2nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)=NN1 4478233 JNUFEKMSZPFQLM-UHFFFAOYSA-N 394.748 2.604 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1C 7070123 VZKFKSVVPVXXSK-INIZCTEOSA-N 377.466 2.700 0 40 GFAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026161 NRWHASUJKOESGY-NSHDSACASA-N 394.474 2.603 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 7309445 USELIHMBPNVTTA-KRWDZBQOSA-N 375.446 2.992 0 40 GFAB COc1ccc2c(COC(=O)C[C@H]3Oc4ccccc4NC3=O)cc(=O)oc2c1 7814657 KBQVLMPINVLGLO-GOSISDBHSA-N 395.367 2.635 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 9194544 VHQZQAWGJKMWKD-UHFFFAOYSA-N 388.489 2.651 0 40 GFAB C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccc(N2CCCC2=O)cc1 68657093 GNGNTIVAPAGSCH-MRXNPFEDSA-N 393.491 2.697 0 40 GFAB CCOC(=O)c1cc(NS(=O)(=O)c2c(C)cc(NC(C)=O)cc2C)cn1C 72306285 FLNRVFMNSSNWAC-UHFFFAOYSA-N 393.465 2.578 0 40 GFAB COC(=O)c1ccc2c(c1)CN(C(=O)[C@@H](C)OCc1cccc(OC)c1)CC2 95457775 MCFBADJDJJSJDO-OAHLLOKOSA-N 383.444 2.972 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@@H](OCCC(C)C)C1 79049076 DPJVQAOTEIIKDL-CYBMUJFWSA-N 393.875 2.602 0 40 GFAB CC(=O)N1CCC(CC(=O)Nc2nccs2)(N2Cc3ccccc3C2=O)CC1 1548348553 OMHWVNYSOXYCCS-UHFFFAOYSA-N 398.488 2.509 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 26785304 SZICAFOYZIILJJ-UHFFFAOYSA-N 396.553 2.541 0 40 GFAB Cc1csc2ncc(C(=O)N3CCN(C4CC4)c4cc(F)ccc43)c(=O)n12 547540905 XYWMBGCMSOVLLH-UHFFFAOYSA-N 384.436 2.833 0 40 GFAB COc1ccc([C@]2(O)CC(C)=NN2C(=O)CCc2ccc3c(c2)OCO3)cc1 408563914 SDVLNVUEXLWVQL-OAQYLSRUSA-N 382.416 2.810 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4cccs4)C[C@@H]2S3(=O)=O)cn1 306140562 UXKZOKZJIXLHGU-HKUYNNGSSA-N 385.514 2.904 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1C 408602122 HWCBTGYUZIBSJY-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB CN1C(=O)CCc2cc(C(=O)Nc3n[nH]cc3-c3ccc4c(c3)OCO4)ccc21 534692369 SWSGNMKXKOMCCW-UHFFFAOYSA-N 390.399 2.967 0 40 GFAB COc1ccccc1OC[C@H](O)CN1CCN(c2ccc(Cl)cc2)CC1 31666910 ZPMJSHVHTXTXRH-GOSISDBHSA-N 376.884 2.911 0 40 GFAB Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)N(C)C)CC3)nc2)n1 72374200 QDIINUGMOXIALP-UHFFFAOYSA-N 375.498 2.514 0 40 GFAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCn1ccc2ccc(Cl)cc21 71285236 UJLXPCTVCMETGM-UHFFFAOYSA-N 396.834 2.928 0 40 GFAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218650110 YDTFOIOJMDROAO-OFQRWUPVSA-N 386.256 2.715 0 40 GFAB Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)nc21 32073409 NHLXKMJYVLPZSA-UHFFFAOYSA-N 377.496 2.680 0 40 GFAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32841121 CCFHUHQDLAJIKT-SSDOTTSWSA-N 386.462 2.562 0 40 GFAB 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)COc1ccccc1 77953765 FAPQZCFUFGJPFI-OMINZETISA-N 390.476 2.542 0 40 GFAB CC(C)CSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1 225778883 CYGUFDSFRXCUKR-UHFFFAOYSA-N 386.524 2.910 0 40 GFAB O=S(=O)(NC[C@@H](O)c1csc2ccccc12)c1cccc2nsnc12 225697431 VGISYSFGVFFGGR-CYBMUJFWSA-N 391.499 2.918 0 40 GFAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccccc1 224677496 XSRQRNSUTSVAJG-UHFFFAOYSA-N 391.445 2.622 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@]1(O)CCOc2ccccc21 77099981 YMOPOMFXICNTFH-NRFANRHFSA-N 381.407 2.626 0 40 GFAB CN1CC2(CCN(Cc3ccccc3)CC2)COc2ccccc2S1(=O)=O 96263481 XPWZSHNERZFCII-UHFFFAOYSA-N 386.517 2.982 0 40 GFAB COCCn1ccc2c(NC(=O)c3cnc4sc(C)cn4c3=O)cccc21 95472265 CXTVUSDMJMWAJW-UHFFFAOYSA-N 382.445 2.918 0 40 GFAB CC(C)NC(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96241970 WUWADSOTSFHWBG-INIZCTEOSA-N 390.549 2.914 0 40 GFAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(C(=O)c3ccnnc3)C2)ccc1CO 257286042 PJYYDGKAALAFEZ-MRXNPFEDSA-N 393.447 2.656 0 40 GFAB CC(C)C(=O)N[C@@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257324913 WQSZUVWMRIWPEH-PIBZIWMISA-N 375.509 2.756 0 40 GFAB O=C(CN1CCN(C2CC2)C1=O)NC1(Cc2ccccc2Br)CC1 615204073 QPRMOYKIJQXRKW-UHFFFAOYSA-N 392.297 2.540 0 40 GFAB CN1CCN(C(=O)c2cc(C(F)(F)F)cnc2O)C[C@H]1Cc1ccccc1 635909821 KNYZSDJGPVYUQF-OAHLLOKOSA-N 379.382 2.805 0 40 GFAB NC(=O)N[C@H]1CCN(C(=O)c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1 654972263 KJZAQMPVFANUSM-HNNXBMFYSA-N 391.830 2.941 0 40 GFAB CCCc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)n[nH]1 676026245 XECCKHZOPDTUPC-UHFFFAOYSA-N 384.436 2.551 0 40 GFAB O=C(O)[C@H]1CN(C(=O)c2cccn(Cc3ccccc3)c2=O)Cc2ccccc21 679095807 OHRYAVSIJFYHSQ-FQEVSTJZSA-N 388.423 2.721 0 40 GFAB Cc1nc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc(-n2cccc2)n1 90607829 ZHUMUQRIZYSKJZ-QGZVFWFLSA-N 391.475 2.692 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cn(C)nc1C1CCCCC1 562707894 XKFINJGTKVYUBH-UHFFFAOYSA-N 393.465 2.975 0 40 GFAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1 585287580 OUVKZKOHBGPPAO-GMAHTHKFSA-N 391.552 2.874 0 40 GFAB CC1(C(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)CCCCC1 585282939 JYANMRZKQCFJQI-NRFANRHFSA-N 392.471 2.648 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@](O)(c3ccco3)C3CC3)CC2=O)cc1C 77099466 BFNQQFVXYSASRR-AOMKIAJQSA-N 382.460 2.663 0 40 GFAB Cc1nn2c(=O)cc(CN3CCC(CN4CCc5ccccc54)CC3)nc2s1 95957596 DFSORRFLJBCYGH-UHFFFAOYSA-N 395.532 2.734 0 40 GFAB CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)CN2CCSC2=O)cc1 5277976 DKNHJLTUDVHWQF-CQSZACIVSA-N 378.494 2.774 0 40 GFAB Cc1ccc(CCNC(=O)Cn2nc(C)n3c(cc4sccc43)c2=O)cc1 12115264 YBCJDXODIGJMSP-UHFFFAOYSA-N 380.473 2.686 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 12235970 HFNYJNOHYKECIP-ZWKOTPCHSA-N 386.540 2.550 0 40 GFAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13679296 JTFCUWJOCWUUGU-GFCCVEGCSA-N 379.309 2.671 0 40 GFAB CC(=O)N1CCN(C(=O)CSc2cc(C)c(Br)cc2C)CC1 15941008 PKPKSWZRIXZUJX-UHFFFAOYSA-N 385.327 2.849 0 40 GFAB CCC(=O)NC(=S)Nc1ccc2nc(NC(=S)NC(=O)CC)sc2c1 16609825 HZVJGPOXNMYZFI-UHFFFAOYSA-N 395.535 2.742 0 40 GFAB Cc1nccn1CCC(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 19288061 AVLWEOOUUBKIGO-PGRDOPGGSA-N 396.491 2.603 0 40 GFAB C[C@@H]1CCCCN1C(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O 19496302 MPDNGBKSBXYGJH-CQSZACIVSA-N 381.480 2.743 0 40 GFAB COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc(OC)c1O 19549456 MFQOBYXWUWVXIZ-BEFAXECRSA-N 392.402 2.797 0 40 GFAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cnn(C)c2)CCO1 19696791 NWRYBCMPXKTAHR-INIZCTEOSA-N 384.505 2.910 0 40 GFAB O=C(NCc1cnn(-c2ccccc2)c1[C@@H]1CCN(C2CCOCC2)C1)C1CC1 19708004 HZKBKLXXSRFSEB-GOSISDBHSA-N 394.519 2.867 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2ccco2)Nc2ccccc21 100117944 AYCYNRZLBKZXGW-ORENWSFKSA-N 379.460 2.926 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3[C@H]4CC[C@H]3CC(n3ccnn3)C4)CC2=O)cc1C 618254607 BJNYNGXEYFPSCU-NEWSRXKRSA-N 393.491 2.643 0 40 GFAB CCOc1ccc(CC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 12365120 NBRNLZSZKGWAPZ-INIZCTEOSA-N 379.464 2.711 0 40 GFAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 1981591 SVRPWEMISHCDPC-LLVKDONJSA-N 378.787 2.779 0 40 GFAB C[C@]12CCCN(CC3(O)CCN(c4ccccc4F)CC3)[C@H]1CCCC(=O)N2 2037956990 AQWGVSPDZQDADB-FPOVZHCZSA-N 389.515 2.680 0 40 GFAB CC1=N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 19933531 ZMCDKRVOHFIGTM-QGZVFWFLSA-N 376.338 2.531 0 40 GFAB O=C(COc1ccccc1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775972753 USDUVHLXNHSMET-UHFFFAOYSA-N 377.444 2.714 0 40 GFAB O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)Nc1ccc(F)c(Cl)c1 49483696 UGSBZHDZOWWLQJ-UHFFFAOYSA-N 387.802 2.962 0 40 GFAB COc1ccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c(OC)c1 51315225 PBDZRTXNDDPAKP-UHFFFAOYSA-N 384.344 2.840 0 40 GFAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccc(C)cc2C)c2ccccc2O1 11438063 JCYQUQNGFGCDRL-HXUWFJFHSA-N 382.460 2.702 0 40 GFAB O=C(CN1CCN(c2cnccn2)CC1)NCC1(c2ccccc2)CCCCC1 52463803 FVBVTPQMUIOFGJ-UHFFFAOYSA-N 393.535 2.617 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(F)cc1Cl 102015166 JROCTOCCUYECGG-OTRWWLKZSA-N 389.814 2.699 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 58044228 NEPXRHIFGOFNON-DNVCBOLYSA-N 378.538 2.804 0 40 GFAB O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCC[C@H](N2CCCC2=O)C1 517701730 SAQVRGJWGMMXFQ-AWEZNQCLSA-N 399.472 2.766 0 40 GFAB CCN(CC)c1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)o1 108029220 XFRFRZPWGWQXBY-UVTDQMKNSA-N 387.392 2.598 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C 37458147 HEDGKAWWDLKENK-BZUAXINKSA-N 390.480 2.536 0 40 GFAB O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 12409139 OSSNNHPGFYYSRC-INIZCTEOSA-N 397.456 2.971 0 40 GFAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1Cl 24084296 JKDFLTHHWUXYOH-QGZVFWFLSA-N 380.897 2.692 0 40 GFAB CCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 28208374 LIXRCEZJFLGZCB-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 43283405 RKXWIRCHRXTTOH-ZFWWWQNUSA-N 388.855 2.707 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 35279481 VLFWNYFPAPMQAG-HKZYLEAXSA-N 383.448 2.989 0 40 GFAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1cccnc1)C3 57151201 CAWFXLZQHGGGCV-UHFFFAOYSA-N 394.427 2.872 0 40 GFAB CCc1ccccc1N(CC(=O)NCCOC)S(=O)(=O)c1ccc(C)cc1 22275561 PVMYFYAULBQELZ-UHFFFAOYSA-N 390.505 2.515 0 40 GFAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Cl)c1 12652766 YVWLIOFYTMXGET-UHFFFAOYSA-N 386.882 2.582 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 10290610 HZJSEDIHPLOZST-ZDUSSCGKSA-N 378.416 2.788 0 40 GFAB COc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)c(OC)c1OC 12626497 ROQJQBBFAOSINT-UHFFFAOYSA-N 395.459 2.816 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)on1 3371763 NKKFVLSOIQIUIE-UHFFFAOYSA-N 375.425 2.869 0 40 GFAB Cn1c(=O)n(CCC(=O)NCc2ccc(OC(F)F)cc2)c2ccccc21 10824372 KTWVIMTXMQQKGM-UHFFFAOYSA-N 375.375 2.648 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)c1 3343591 SAJGGIYXRUCFJP-QFIPXVFZSA-N 393.443 2.780 0 40 GFAB COc1cc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc(OC)c1OC 12757665 HYROMEIOOFUUGU-UHFFFAOYSA-N 398.415 2.614 0 40 GFAB O=C(NCCCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12799975 PPNKGJAKOHPETE-UHFFFAOYSA-N 388.489 2.670 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 12751226 KEHZTBAMECBLGF-CQSZACIVSA-N 382.416 2.864 0 40 GFAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1F 12864672 LFRPAMUZTUFOFG-LLVKDONJSA-N 380.416 2.897 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2ccccc2I)c(=O)[nH]1 12923306 HNNDVHQKWLDPPB-UHFFFAOYSA-N 397.216 2.563 0 40 GFAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(C(=O)c2ccco2)CC1 28227766 HZGLEBKLIWHXKN-LJQANCHMSA-N 382.460 2.910 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ccn(C)c3=S)CC2)cc1 13072830 KRUZXBILUHWMSP-UHFFFAOYSA-N 394.566 2.643 0 40 GFAB O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1cnccn1 13008065 RMXGIHWZHBDBHF-GFCCVEGCSA-N 386.477 2.578 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)N2CCC(CN3CCCC3)CC2)CC1=O 49073123 NFJSZEHUXVXRNI-LJQANCHMSA-N 399.535 2.773 0 40 GFAB Cc1cccc(OCCNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 13234889 ZDFKRNREIUUUEB-LJQANCHMSA-N 381.432 2.850 0 40 GFAB CCCCNC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@H]2SC1(C)C 4074006 KIGRFOGHOJWZNF-CRAIPNDOSA-N 378.494 2.969 0 40 GFAB biogenic COc1cc(C2=NO[C@H](C(=O)NCc3ccc(F)cc3)C2)cc(OC)c1OC 4111472 YUDZGTCHSGKBDT-SFHVURJKSA-N 388.395 2.661 0 40 GFAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cn3ccccc3n2)cc1OCC 6552828 OLCOVHDFWJZLBJ-UHFFFAOYSA-N 396.447 2.842 0 40 GFAB COc1cc([C@@]2(C(F)(F)F)C(=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O 66089255 GEXAGNTVYBSMIA-KRWDZBQOSA-N 398.289 2.906 0 40 GFAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(C3CCCC3)CC2)cc1 20141364 MBOWGOUNUCZJNP-OAQYLSRUSA-N 398.555 2.987 0 40 GFAB Cc1nn(Cc2cc(-c3ccco3)on2)c(C)c1S(=O)(=O)N1CCCCC1 7024962 FJBKOBIYFVQXRE-UHFFFAOYSA-N 390.465 2.971 0 40 GFAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(c2cccc(Cl)c2)CC1 8990412 TYRSVMQAGFLXBZ-INIZCTEOSA-N 385.899 2.695 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccccn1 71333228 UESCDFKUVBVHFD-CQSZACIVSA-N 387.871 2.594 0 40 GFAB O=C(OCc1nc(O)cc(C(F)(F)F)n1)c1cccc(CN2CCCC2=O)c1 95448044 JUERUVWDYKTGRP-UHFFFAOYSA-N 395.337 2.680 0 40 GFAB C[S@@](=O)Cc1cccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 89493143 LMIXMHWOLNOWHL-PTFIGZPYSA-N 391.411 2.523 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 89782933 KWBMEDXSZZXNOP-OAHLLOKOSA-N 393.427 2.603 0 40 GFAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCCOc1ccccc1 409378607 QINGNVQKVOOTSR-QGZVFWFLSA-N 394.431 2.719 0 40 GFAB C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(Cl)cc1 20012819 AYRBIWSJTCRHSS-AWEZNQCLSA-N 380.897 2.979 0 40 GFAB O=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(N2CCCC2=O)c1 31778863 HLZRFKVWMMBKJZ-UHFFFAOYSA-N 377.444 2.870 0 40 GFAB COc1ccc(N2CCN(C(=O)Nc3cc(C)n([C@@H](C)C4CC4)n3)CC2)nc1 519803611 AOUQSJSNIVPDHM-HNNXBMFYSA-N 384.484 2.920 0 40 GFAB CC(C)NC(=O)c1nnc(N2CCC(Oc3ccccc3Cl)CC2)n1C 548910721 QDJDXFNNOYQKJJ-UHFFFAOYSA-N 377.876 2.655 0 40 GFAB Cc1cc(NC(=O)Cn2cc(-c3nc(-c4ccccc4F)no3)ccc2=O)no1 77200460 FBTYFTNTTSVBMM-UHFFFAOYSA-N 395.350 2.640 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 30756355 RWOFDRJLOVOQGY-AWEZNQCLSA-N 394.468 2.786 0 40 GFAB COc1cc2ccccc2cc1C(=O)NC(=S)Nn1c(C)nnc1SC 33688813 JDLZVIONIOCJJT-UHFFFAOYSA-N 387.490 2.729 0 40 GFAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218650857 GPGFIWGTIGBEPS-DZKIICNBSA-N 386.256 2.715 0 40 GFAB CC(=O)N1CCn2c(nnc2[C@H]2CCCN2Cc2ccnc3ccccc23)C1 72373893 HMCNBVORJWSWHF-LJQANCHMSA-N 376.464 2.526 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359552 YPRODDPGPYFNEF-AWEZNQCLSA-N 380.901 2.783 0 40 GFAB O=C(c1cc([C@H]2CCCN(CCCc3ccccc3)C2)n[nH]1)N1CCOCC1 72380622 LPYPVIKKBKYMGW-IBGZPJMESA-N 382.508 2.694 0 40 GFAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCCN1CCCC1=O 71326766 WGQXPIFLSBPJFP-UHFFFAOYSA-N 393.900 2.986 0 40 GFAB O=C(O)CN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 199431105 HKWURJVIKQAIIA-WAPJZHGLSA-N 392.614 2.929 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1 223022089 TWLOJKNGUDJJDP-LLVKDONJSA-N 388.898 2.751 0 40 GFAB O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)Nc1ccccc1Cl 49008237 KUDAPFVWNSZXJQ-UHFFFAOYSA-N 395.806 2.975 0 40 GFAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1cccs1 41224366 NSYXSDPWFNSWTD-AWEZNQCLSA-N 384.910 2.871 0 40 GFAB O=C(Nc1cccc(F)c1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96260923 NBIAWNGCOYZCST-QGZVFWFLSA-N 375.444 2.994 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3ccccc3OC)ccc2NC1=O 96182265 FEHXKRIVWGMYJV-HXUWFJFHSA-N 384.388 2.600 0 40 GFAB O=C(c1ccc(F)cc1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96239888 QETWYIZJEABVOR-UHFFFAOYSA-N 383.467 2.976 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC(n2c(O)nc3ccc(F)cc3c2=O)CC1 238919810 SWKXWVWOHOUKIC-UHFFFAOYSA-N 398.394 2.584 0 40 GFAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(C(=O)Nc1ccccc1)CC2 96260415 VUSCJHUMLBKVKP-UHFFFAOYSA-N 381.480 2.894 0 40 GFAB COCCn1ccc2c(NC(=O)[C@H](C)n3nnc4ccccc4c3=O)cccc21 95477213 DJMHXILNHSXBGE-AWEZNQCLSA-N 391.431 2.592 0 40 GFAB CC(C)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)[C@H]1C[C@H]1C)CC3 248167645 PGMLGMNKSOIYRD-ZRGWGRIASA-N 397.523 2.911 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)c1 245377185 IOSGVIBONFEHJT-PSAKCFHXSA-N 377.396 2.663 0 40 GFAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1cccc3c1OCCO3)CC2 253383668 MFELSLGDDLHHBK-MRXNPFEDSA-N 375.465 2.896 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)Oc2ccccc21 250242987 MSYORMAEYGGTKZ-FZKQIMNGSA-N 392.452 2.620 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)cn3)CC2=O)c1 1116551106 MJTYDQLLQNWCOG-CYBMUJFWSA-N 384.461 2.754 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCO2 90607257 NJLXDWURLSHHQF-GOSISDBHSA-N 394.924 2.997 0 40 GFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 96099607 GHZXGUKSJSQFHY-RMKNXTFCSA-N 375.446 2.766 0 40 GFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3sc(C)nc3C)CC2)cc1 96376343 ZSOFONJFVZEFOC-UHFFFAOYSA-N 394.518 2.847 0 40 GFAB O=C(COc1cc(=O)oc2ccccc12)N1CC[C@H](c2ccc3c(c2)OCO3)C1 575606728 QQSLKWZJGFLNLK-HNNXBMFYSA-N 393.395 2.917 0 40 GFAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc(C4CC4)on2)C3)c1 575402846 CQZQJGWFBCBCHM-QGZVFWFLSA-N 383.448 2.846 0 40 GFAB Cc1cc(C)cc(-n2nc(NC(=O)N3CC[S@](=O)C(C)(C)CC3)cc2C)c1 574969096 YRSULDKUKWWCHM-HHHXNRCGSA-N 388.537 3.562 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 5134436 RMMGIQAKABQQBL-UHFFFAOYSA-N 377.418 2.681 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1ccccc1Cl 12146291 VRKQKZRESWBAHJ-GOSISDBHSA-N 397.862 2.608 0 40 GFAB O=C1NC2(CCN(C(=O)[C@H]3CCN3C3CCCCC3)CC2)Nc2ccccc21 19374641 DRKVSIFQKLHCON-LJQANCHMSA-N 382.508 2.568 0 40 GFAB COc1cccc(CC(=O)N[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)c1 19445727 FUJABKINTVVGQN-NRFANRHFSA-N 392.459 2.897 0 40 GFAB COCCC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(OC)cc2)CC1 19695180 NGWLPJRXBGZYDQ-UHFFFAOYSA-N 398.507 2.961 0 40 GFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)C1CCCCC1)CC2 19710298 NMVCIUDIBXWFJH-KRWDZBQOSA-N 399.539 2.709 0 40 GFAB Nc1nc(O)cc([C@H]2CCN(C(=O)CSCc3ccc(Cl)cc3)C2)n1 600994338 JDHUPKGYJNYKJJ-LBPRGKRZSA-N 378.885 2.667 0 40 GFAB Cc1cc(C)n(CCNC(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)n1 247891095 FRJPSYNKLKMNLH-DQMRONCHSA-N 379.460 2.676 0 40 GFAB C[C@H](Sc1nnc(-c2ccccc2F)n1N)c1nc2ccccc2c(=O)[nH]1 5982355 JDWRBGFZDXCSNG-JTQLQIEISA-N 382.424 2.888 0 40 GFAB CC(C)NC(=O)CN1CCN(Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 23255607 AFBWVNXHQUVCRD-UHFFFAOYSA-N 392.500 2.716 0 40 GFAB CCc1[nH]c(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c(C)c1C(=O)OC 29075368 XXKROHANWQQCLT-CQSZACIVSA-N 381.436 2.692 0 40 GFAB FC(F)(F)c1ccc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)nn1 1776008785 NAUZVKAMILQBCQ-UHFFFAOYSA-N 389.385 2.742 0 40 GFAB O=S(=O)(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1 5144762 HFXFUZXUQUFIAB-UHFFFAOYSA-N 396.472 2.781 0 40 GFAB COc1ccccc1C(=O)N1CCN(c2nccn2-c2ccccc2F)CC1 11695685 FZEKGEYGJWNRCB-UHFFFAOYSA-N 380.423 2.982 0 40 GFAB CC(=O)Nc1ccc(SCCCC(=O)N2CCN(c3ccccc3)CC2)nn1 11793309 URONCTABCPHGBT-UHFFFAOYSA-N 399.520 2.656 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)n1nc(C)cc1C 575613655 JNECSZRVAOTFBO-KRWDZBQOSA-N 396.447 2.754 0 40 GFAB CC(=O)Oc1cccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)c1 2369197 WVEPMYALNFCREV-BOPFTXTBSA-N 377.425 2.599 0 40 GFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 40091055 LREIWIUWDZVWPF-FMIVXFBMSA-N 394.456 2.704 0 40 GFAB O=C1CNC(=O)N1Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 40135027 PTCOVXAAVNVSMM-UHFFFAOYSA-N 395.440 2.692 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 40158690 PYCHWXADNCKWDD-MRXNPFEDSA-N 375.396 2.806 0 40 GFAB Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)CN(Cc1ccccc1Cl)CN2 20572598 DDNDSCMYPZZWPN-UHFFFAOYSA-N 382.851 2.873 0 40 GFAB C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O 20531603 RMQQGKNUKHCNJT-KRWDZBQOSA-N 377.488 2.812 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)O)cs2)cc1 11866058 BRCOECWKJPAGPQ-AWEZNQCLSA-N 380.491 2.684 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1 29620004 DIROVUKPTHFLLV-CQSZACIVSA-N 388.518 2.876 0 40 GFAB C[C@@H](c1ccccc1Cl)N1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 29689519 ZKXKUIYPOQXQAV-UONOGXRCSA-N 389.935 2.613 0 40 GFAB Cc1cc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c2ccccc2n1 3366669 BMANDKBRILMMBC-UHFFFAOYSA-N 377.400 2.726 0 40 GFAB CC(C)[C@@H](OC(=O)c1cc2occc2n1C)C(=O)NCc1ccc2c(c1)OCO2 4355700 XXVYUOXCNINBCB-LJQANCHMSA-N 398.415 2.998 0 40 GFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC(=O)NC1CCCCC1 2635441 NCCKZNJEUCGFDC-UHFFFAOYSA-N 396.373 2.517 0 40 GFAB COC(=O)[C@@H](C(=O)C(=O)Nc1c(C)cccc1C)c1cnc2ccccc2n1 6491224 BFAYDCLEUORUPP-QGZVFWFLSA-N 377.400 2.711 0 40 GFAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)s1 6817996 PZZHBQZTUGTZRZ-NSHDSACASA-N 380.495 2.663 0 40 GFAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OCC 6961044 QZVYMLAZIADYGD-XNTDXEJSSA-N 377.418 2.859 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 58024625 BPAOPEQELJCSLA-LLVKDONJSA-N 380.388 2.585 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 8037074 NIPVQJCQAUHLHA-QGZVFWFLSA-N 394.427 2.732 0 40 GFAB C[C@@H](CC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1)c1ccc(F)cc1 89894490 RFRXSCDCTPVPPR-QFBILLFUSA-N 376.472 2.949 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCN(C)CC2)sc2c1CC[C@@H](C)C2 22037163 WMFHFNDQFCIIRZ-KGLIPLIRSA-N 393.553 2.624 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCC[C@H]2CCCC[C@H]21 22805360 YJKVTAQZLORGBO-WOJBJXKFSA-N 399.535 2.714 0 40 GFAB COCCn1nnnc1[C@@H](CC(C)C)N1CCN(c2cc(C)ccc2C)CC1 57670086 CZMKBOOWGOBUQG-HXUWFJFHSA-N 386.544 2.846 0 40 GFAB S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCSCC1)Nc1ccccc1 20503877 XIRPLXKNZDTNSI-JENIJYKNSA-N 390.622 2.732 0 40 GFAB biogenic,in-vitro Nc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12 24762266 AFWKWZVFQZTVJZ-UHFFFAOYSA-N 381.867 2.823 0 40 GFAB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1-n1cnnn1 25147998 IHHYXBAIYCCUPG-GUYCJALGSA-N 376.420 2.818 0 40 GFAB O=C(c1cccc(OC(F)F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 25266313 YQAVDDNBIPETTF-SFHVURJKSA-N 376.403 2.779 0 40 GFAB COc1cc(NC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)cc(OC)c1 3278270 IBKLPJDJDKIPLP-FNORWQNLSA-N 387.388 2.613 0 40 GFAB CN(C)C(=O)COc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 25659372 UBEQADTWAFCXDK-UHFFFAOYSA-N 391.431 2.940 0 40 GFAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 101261765 PXCIIUWMNFDGHA-CZIZLABSSA-N 378.450 2.907 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)CS2 26727717 GYUSICWLUVYLJN-IFXJQAMLSA-N 385.445 2.924 0 40 GFAB COC(=O)[C@](NNc1ccccc1)(NC(=O)c1ccc(F)cc1)C(F)(F)F 2050526 GHKYGLGCLWTXTK-MRXNPFEDSA-N 385.317 2.604 0 40 GFAB O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)N1CCCC1 23140042 JECBICXECXHQBD-UHFFFAOYSA-N 389.550 2.579 0 40 GFAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc12 10309870 UVXZMBITAWWLBH-JTQLQIEISA-N 377.491 2.838 0 40 GFAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 20484290 KNEJYSGCCKFELF-INIZCTEOSA-N 390.505 2.817 0 40 GFAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1nnc2n1CCCCC2 48276146 SLLJGAWCTRMNDU-GOSISDBHSA-N 397.523 2.774 0 40 GFAB COc1cccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 48400747 OWZWULIUWHGBEV-UHFFFAOYSA-N 381.432 2.581 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)CSc1ccccc1C(=O)O 12978362 KJNMPWDLZBLJDY-UHFFFAOYSA-N 391.445 2.819 0 40 GFAB O=c1oc(-c2ccco2)nn1Cc1nnc(-c2ccc(Br)cc2)o1 8734952 NLIZHNKRCAJRDE-UHFFFAOYSA-N 389.165 2.957 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccccc1F 22512332 XEIKCPIHWRWRRR-UHFFFAOYSA-N 385.505 2.668 0 40 GFAB O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 6197658 QPHHBVJRUWIMLD-SDNWHVSQSA-N 376.334 2.815 0 40 GFAB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(C(F)(F)F)cc2)c1 14199644 JNOMPZYNJITEQZ-UHFFFAOYSA-N 377.315 2.849 0 40 GFAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6508241 YIKMZMWBPWSPLS-FQEVSTJZSA-N 380.444 2.942 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1c2ccccc2C[C@H]1C 6545657 SMVBGTFDKQZCPS-OAHLLOKOSA-N 387.505 2.635 0 40 GFAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCc2ccccc21 6657709 URYDJLHQYFRKAE-UHFFFAOYSA-N 385.427 2.631 0 40 GFAB O=C(Nc1cccc2ncccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 6786486 YQROWVYFJWCGST-UHFFFAOYSA-N 397.456 2.508 0 40 GFAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3cccc(OC)c3)c(C)nc21 6755300 XWANMWYAGXZODB-UHFFFAOYSA-N 390.490 2.965 0 40 GFAB CC(=O)Nc1ccc(N/C(C)=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 9013176 DJSODKXAWKWHBB-QGOAFFKASA-N 392.415 2.922 0 40 GFAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NC[C@@H]1COc2ccccc2O1 6879947 CZNNFDWVUSYTGA-CQSZACIVSA-N 382.445 2.520 0 40 GFAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccc2[nH]ccc2c1 71287813 MLZKMKJITYARRN-UHFFFAOYSA-N 399.472 2.687 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OC)cc2O)c1C 7396652 OXTASPQPFFMAIT-LBPRGKRZSA-N 389.404 2.951 0 40 GFAB Cc1ccccc1CNC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858582 BCNWQKRLBGHEGM-UHFFFAOYSA-N 386.473 2.628 0 40 GFAB O=C(NCc1ccc(F)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 15961215 IGEHAQDGJQXMBF-INIZCTEOSA-N 382.391 2.531 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)c(O)c1 7782940 RMSJAHXGHGDDJJ-CQSZACIVSA-N 399.472 2.500 0 40 GFAB CCn1nnc2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc21 9723988 UZCTYPQDZLEIFZ-UHFFFAOYSA-N 390.447 2.572 0 40 GFAB Cc1c(Br)c2ccccc2n1CC(=O)NCC(=O)OCC1CC1 84027133 VNZFTSFQKMOUKL-UHFFFAOYSA-N 379.254 2.782 0 40 GFAB COc1cc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)ccc1N1CCCC1=O 72311431 XKWMOIAVXHCZKD-HZPDHXFCSA-N 383.452 2.934 0 40 GFAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)C1 84445793 MLYPKMKIOXLVAN-QGZVFWFLSA-N 378.476 2.827 0 40 GFAB O=S(=O)(NCc1ccccc1N1CCCC1)c1ccc2c(c1)OCCCO2 84505919 FKYIASAGLOCBTF-UHFFFAOYSA-N 388.489 2.927 0 40 GFAB O=C(NC[C@H](C(=O)O)c1ccccc1)C1CCC(NC(=O)C2CCCC2)CC1 95425565 QJIVUTOXZBQCSK-ACBHZAAOSA-N 386.492 2.836 0 40 GFAB COc1cccc([C@H]2CCCN2C(=O)c2cc(S(N)(=O)=O)cc(C)c2C)c1 89585578 MHNBMSQPQFXQQV-LJQANCHMSA-N 388.489 2.937 0 40 GFAB Cc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 306124772 BZACACACWPNDCQ-GOSISDBHSA-N 392.507 2.649 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 30869466 OBNKAVOUPHWPGI-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2cnn(-c3ccccc3F)c2n1 36616817 OJTCFNLXGGSEHB-OAHLLOKOSA-N 379.439 2.788 0 40 GFAB COCCCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217601401 FWXMDHLCLHYBOQ-AWEZNQCLSA-N 392.477 2.873 0 40 GFAB CC(C)n1nccc1-c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 38871956 AFFXVIJJGDXMBV-GFCCVEGCSA-N 398.398 2.645 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(Cc2ccccc2F)CC1 225270145 FFSWGERCVCODND-SFHVURJKSA-N 384.451 2.994 0 40 GFAB COc1c2ccc(C(=O)N[C@H](c3cccnc3)C3CCOCC3)cc2nn1C 225620028 HPXWIJFDSDRPPV-IBGZPJMESA-N 380.448 2.875 0 40 GFAB CN(C)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)nc1 571505893 AUODNZUXGLHGIC-KRWDZBQOSA-N 395.467 2.689 0 40 GFAB CCOC(=O)Nc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1 222997849 UPRNVJWVINNPPO-UHFFFAOYSA-N 394.449 2.751 0 40 GFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)[C@@H](C)Oc3cccc(C)c3)C(=O)[C@@H]21 225655394 VBYFAYGFGIGFRT-GNQXEYABSA-N 382.460 2.771 0 40 GFAB O=C(N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1)C1(c2ccccc2)CC1 225760550 PYCNHMNHFVUYNF-UHFFFAOYSA-N 389.455 2.585 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc(F)c1 96520909 XMQVRQOLWRVFLU-VIFPVBQESA-N 390.068 2.737 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)CCc1ccccc1)C2 96227405 XDHFDWXGNMNFHC-OFNKIYASSA-N 377.488 2.911 0 40 GFAB Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@H]3Cc2ccccc2)c1 257214598 CMPFOOKSKXEEMC-KHYDEXNFSA-N 378.520 2.934 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cnccn3)CCO2)n1 257201327 AHEVXRBJHJSAIF-GOSISDBHSA-N 379.420 2.611 0 40 GFAB CC(C)CCN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 604381995 YDMKEGRPGKOCNA-LJQANCHMSA-N 391.943 2.597 0 40 GFAB biogenic,in-vitro N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3coc(-c4c(F)cccc4F)n3)C2)C1 653182740 WRGOYFXBOVXVKN-XNJGSVPQSA-N 391.418 2.978 0 40 GFAB O=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 633145998 VQDJMKUSSXWTDK-IQZDNPOKSA-N 393.487 2.964 0 40 GFAB CCOc1ccccc1S(=O)(=O)NCCn1nc(-c2cccnc2)cc1C 390826351 IVGXABFLELORHO-UHFFFAOYSA-N 386.477 2.631 0 40 GFAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)[C@H]2Cc4ccccc4O2)C3)n1 575402570 CMBUCTMZOGLJNM-AZUAARDMSA-N 396.512 2.997 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575402747 GLLHQDVFGYRHDF-LJQANCHMSA-N 389.517 2.860 0 40 GFAB Cc1ccc(C[C@H](NS(=O)(=O)c2cnc(C3CC3)s2)C(=O)O)cc1C 952885639 GMBCAIAOUJGOHF-AWEZNQCLSA-N 380.491 2.612 0 40 GFAB Cc1c(C(=O)N2CCC(CCn3ccnc3C)CC2)sc2ncn(C)c(=O)c12 12143815 SGKIZZGDSROZAI-UHFFFAOYSA-N 399.520 2.751 0 40 GFAB CCn1c(SCc2cccc(C(=O)O)c2)nc2cc(S(N)(=O)=O)ccc21 13062185 VNZXMADYFBHLOW-UHFFFAOYSA-N 391.474 2.694 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)c1 13668286 TZOWYJSURUVSPW-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB COc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(C)c2c1 15967868 LPUQYEMWSNNJJH-LSDHHAIUSA-N 377.444 2.906 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(F)c1 16188374 OMOJBANTAMDVJS-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 19083673 UYBKOFMWQBWWOH-CQSZACIVSA-N 382.512 2.505 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@H]3CCCO3)C1)N2 19127700 JHOCBHMYDUQRFN-XUWVNRHRSA-N 382.455 2.990 0 40 GFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)C2CC2)CCO1 19235344 JGWPEFVTYKRZAS-XMMPIXPASA-N 392.499 2.958 0 40 GFAB CCCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257250999 JOYRGZBPDKTFGI-QNTYUMOHSA-N 396.535 2.529 0 40 GFAB COc1ccc(CCNC(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1 390826711 OUXKDXJGSBECKH-UHFFFAOYSA-N 384.480 2.898 0 40 GFAB CCCn1c(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)n[nH]c1=O 6888289 XUQVNZXAACWOLT-UHFFFAOYSA-N 375.454 2.660 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3ccsc3)cs2)CC1 1888922070 NPJHSUXNXDGMND-UHFFFAOYSA-N 384.548 2.764 0 40 GFAB CC[C@]1(C(=O)N2CCC(Cc3ncon3)CC2)CCN(C(=O)OC(C)(C)C)C1 1156120257 GZRUMXJMBVAPHY-FQEVSTJZSA-N 392.500 2.888 0 40 GFAB CN(Cc1cccs1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32981517 GUDWABZIUZDCCM-HNNXBMFYSA-N 378.519 2.807 0 40 GFAB CN(CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)S(=O)(=O)c1cccs1 36403770 RDTXWRLZHYCODG-QWRGUYRKSA-N 384.445 2.606 0 40 GFAB O=C(CSc1ccc(F)cc1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 238830696 FVKQLVJZOVZZDF-MRXNPFEDSA-N 388.420 2.754 0 40 GFAB CC(C)N1CCCC[C@]2(CN(C(=O)CCc3ccccc3F)CCO2)C1=O 2037985662 RJBQYHPHDLTLHL-NRFANRHFSA-N 376.472 2.777 0 40 GFAB CN1CCOc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1=O 8961588 YBDWELNXNHMTCK-UHFFFAOYSA-N 380.853 2.746 0 40 GFAB CN([C@H]1CCCN(Cc2cccc(Br)c2)C1)S(=O)(=O)C1CC1 2086889663 JRZAYIBTMDOCJJ-HNNXBMFYSA-N 387.343 2.838 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c1 206733424 MIHBOQHSQQHKEP-UHFFFAOYSA-N 375.498 2.560 0 40 GFAB Cc1nccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)n1 575612675 LPVBRRPDMCPXOD-ZDUSSCGKSA-N 387.383 2.646 0 40 GFAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cnc21 32097999 BSIDFXXKYNKRAF-UHFFFAOYSA-N 388.449 2.974 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CNc3ccc(Br)cc3)nnc12 11549212 KJALFVATFWGMOQ-UHFFFAOYSA-N 384.237 2.956 0 40 GFAB COc1cc(N)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C 7656617 CLKWOAFCCDJBLG-SNVBAGLBSA-N 380.832 2.892 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)no1 905381 NGAPVWPBIPMILI-LBPRGKRZSA-N 389.437 2.744 0 40 GFAB COc1cc2ncn(CCC(=O)Nc3ccc4cc[nH]c4c3)c(=O)c2cc1OC 32123976 PMCIYYRWKDGXPX-UHFFFAOYSA-N 392.415 2.924 0 40 GFAB biogenic C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 6560421 CLUYODXPMILMOH-GFCCVEGCSA-N 386.395 2.861 0 40 GFAB O=C(Nc1ccc(F)c(NC(=O)c2cnccn2)c1)c1ccc2c(c1)OCO2 32796351 IUJWXUOTOVTMSF-UHFFFAOYSA-N 380.335 2.849 0 40 GFAB O=c1n(N=S(=O)(c2ccccc2)c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2CC1 102967247 PSOYZJARKQYMSM-HOTGVXAUSA-N 394.456 2.607 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(NC(=O)[C@H](C)Oc3cccc(C)c3)C(=O)[C@@H]21 102217143 VBYFAYGFGIGFRT-XYNXIRJESA-N 382.460 2.771 0 40 GFAB COc1cccc(Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1 2689539 PETABCGTHAVCGD-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB CCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 8138986 WJNYOLAMWKKPEG-ZDUSSCGKSA-N 387.388 2.763 0 40 GFAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCCCC1 8394231 WJFHKCHHDGYFDL-UHFFFAOYSA-N 385.537 2.968 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)CCN2C(=O)CSc3ccccc32)cc1 7848414 OGKYRJFCZIKZKP-UHFFFAOYSA-N 397.500 2.534 0 40 GFAB COc1cccc(CNC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)c1 12296866 PRCNNHGLDNTSGR-UHFFFAOYSA-N 392.459 2.561 0 40 GFAB biogenic COc1cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 851353 OBVAXZRRTUPKMR-JTQLQIEISA-N 388.807 2.980 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)cn1 54412386 KQOSMKCMJSPZJK-CQSZACIVSA-N 379.413 2.660 0 40 GFAB COc1cc(F)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC 26535152 OGNWVIFKNKHEJZ-UHFFFAOYSA-N 394.424 2.771 0 40 GFAB Cc1cc(SCC(=O)N2CCN(C[C@H]3CCCO3)CC2)nc2ccccc12 23718905 UJRYNTJYBXETFW-QGZVFWFLSA-N 385.533 2.959 0 40 GFAB COc1c(C2=NO[C@@](O)(C(F)(F)C(F)F)C2)c(O)c(OC)c2occc12 1416774 IHUIZCOUGXUUDB-CQSZACIVSA-N 379.262 2.869 0 40 GFAB CC[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CCN1C[C@H](C)O 108089261 HLFWMXNDJMKGGN-UWJYYQICSA-N 386.536 2.832 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 10302486 WRDOVENWFQNBGU-IBGZPJMESA-N 378.538 2.529 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)OC)c1)O[C@@H](C)C2 12526038 YKWIEGVDFPHPJJ-LBPRGKRZSA-N 391.445 2.996 0 40 GFAB O=C([C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1)N1CCOCC1 10026852 JLMRCOPNZLIAFE-AWEZNQCLSA-N 376.507 2.805 0 40 GFAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 58180956 LJPSBVNFNXDSHH-LRDDRELGSA-N 378.432 2.724 0 40 GFAB COCCN1C(=O)[C@@H](Oc2cccc(OC)c2)[C@H]1c1ccc(OC)c(OC)c1 58155024 ZSSVKVDGDCABAU-UXHICEINSA-N 387.432 2.690 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCCN(C)c2ccccc2)C1=O 12543160 YVWWVINYBOFTCU-QGZVFWFLSA-N 381.476 2.833 0 40 GFAB CC(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 36366328 ZNNLAOIPRBSPGZ-CYBMUJFWSA-N 376.457 2.863 0 40 GFAB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 3314445 MRLODTIANSNBQL-JOCHJYFZSA-N 379.460 2.865 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2cccnc2OC2CCCC2)c1 48249882 UPXJDNCXYKYSDG-UHFFFAOYSA-N 392.477 2.899 0 40 GFAB CC(=O)N[C@H](C)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12865872 IBZIERFCLPYTII-MRXNPFEDSA-N 376.460 2.739 0 40 GFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1OC 3434768 QZMQAMWXOTYECC-LXKVQUBZSA-N 391.445 2.841 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 12920724 FQVVHTRPHPYZLG-OAQYLSRUSA-N 388.471 2.691 0 40 GFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 12949363 XBZGEEVXNWHHOT-QGZVFWFLSA-N 399.578 2.941 0 40 GFAB COCCn1c(C)cc(C(=O)CSc2nnnn2Cc2cccs2)c1C 8232473 PCKAJGIEAHPONI-UHFFFAOYSA-N 391.522 2.823 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)NCC(C)C 4081819 IXPGIVHKVYTNEZ-QAPCUYQASA-N 378.494 2.824 0 40 GFAB biogenic O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13569415 CBVMVGARFSWDMV-OAHLLOKOSA-N 398.898 2.972 0 40 GFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 13572304 HLJFSDOUDBCMRB-YFMZZAKFSA-N 389.883 2.515 0 40 GFAB O=C(O)c1cccc(CN2C(=O)S[C@H](Nc3cccc(C(=O)O)c3)C2=O)c1 4151300 SABYDKWDIASRAF-AWEZNQCLSA-N 386.385 2.717 0 40 GFAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 39995499 AZBBXADHJYTGKR-BBRMVZONSA-N 388.514 2.912 0 40 GFAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 4595077 XRVQVWFOJBUHLP-NSHDSACASA-N 396.852 2.896 0 40 GFAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1-n1cnnn1 5505343 HPEGGOGIADLBRV-IBGZPJMESA-N 391.431 2.573 0 40 GFAB COc1cccc(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[nH]2)c1OC 5682081 LARINEIHABWTII-HNNXBMFYSA-N 381.436 2.799 0 40 GFAB Nc1ccc(Br)cc1C(=O)OCC(=O)N1CCc2ccccc21 8758378 KYXPLMJZOXOKDT-UHFFFAOYSA-N 375.222 2.777 0 40 GFAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccccc2)c(=O)c1CCO 67316778 CHTBLJUUVWHIPA-UHFFFAOYSA-N 381.407 2.531 0 40 GFAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)n1 7530268 DMVJECIPWJMEBN-UHFFFAOYSA-N 385.497 2.649 0 40 GFAB CSc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 8944652 KVYUCMWGQZPVTG-OAHLLOKOSA-N 395.506 2.805 0 40 GFAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCc4ccccc43)c2)C1=O 19797484 ZBEPRKUHALDPFR-UHFFFAOYSA-N 384.457 2.592 0 40 GFAB Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)NC1(c2ccc(Br)cc2)CC1 79056545 KNNBQWUUNPAOAA-LBPRGKRZSA-N 391.265 2.991 0 40 GFAB Cc1c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cccc1-n1cnnn1 9691175 ZTVMTSJAAABLSI-UHFFFAOYSA-N 385.811 2.577 0 40 GFAB COc1ccccc1CN(C)C(=O)C(=O)Nc1c(C)cnn1-c1ccccc1 97032457 VBACABLFGWUXQW-UHFFFAOYSA-N 378.432 2.786 0 40 GFAB COCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409000003 DLNNGZJMTQZZLO-FQEVSTJZSA-N 382.460 2.903 0 40 GFAB c1cc(-c2ccc3c([C@@H]4CN(Cc5nccs5)CCO4)nnn3c2)ccn1 306144350 ZDADYQBKVDAEQO-KRWDZBQOSA-N 378.461 2.821 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 306126738 FDTMVAHGIMXNTE-HZPDHXFCSA-N 379.489 2.896 0 40 GFAB CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCc2ccccc2C1 25535804 VCUTVFIPBKNOJT-HXUWFJFHSA-N 390.487 2.736 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 20043686 DRMOZTGBCABAII-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 56997326 NADKVQICDNXFFA-UHFFFAOYSA-N 375.419 2.525 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)c1 306144925 ZSGTYZRJTFBNGZ-UHFFFAOYSA-N 391.475 2.923 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)c1 524735210 GMDGMXJETNIWQH-UHFFFAOYSA-N 384.465 2.937 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1C 408644183 DXFQSOVNZSIIAF-UHFFFAOYSA-N 393.436 2.788 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(OC)c(OC)c1 32988996 FOLFQGWJYQVWAB-OAHLLOKOSA-N 377.824 2.871 0 40 GFAB O=C(NCc1ccnc(O[C@@H]2CCOC2)c1)N1CCCN(c2ccccc2)CC1 152435442 SDPYTBOSYXTWOI-HXUWFJFHSA-N 396.491 2.671 0 40 GFAB C[C@H](NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 70640190 BPPJVJBGQLPZLI-BLLLJJGKSA-N 380.366 2.732 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 39995454 PJXURFGAOAGSRQ-SFHVURJKSA-N 385.855 2.648 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccco2)Oc2ccccc21 72339083 GXWPVYLBYOLOKN-CZFFTMAUSA-N 380.444 2.893 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)N(C)Cc1ccccc1)S(C)(=O)=O 220325162 WIRQQQYSTKRZDT-MRXNPFEDSA-N 390.505 2.817 0 40 GFAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(F)c1 46699548 KVZFGSPNOPATKV-HNAYVOBHSA-N 387.430 2.737 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225422558 IDYBUDVZGIHWLU-QGZVFWFLSA-N 388.489 2.969 0 40 GFAB O=C(Nc1cccc2nsnc12)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100359 IYQCOIVWNVKFNH-UHFFFAOYSA-N 391.338 2.938 0 40 GFAB COc1ccc(N(CCCC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 222597690 PEOFNBCMMDQNKJ-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB CN(CCCNC(=O)[C@@]1(O)CCCN(Cc2ccccc2)C1)Cc1ccccc1 1587447948 UPUZDJMXVIROEI-XMMPIXPASA-N 395.547 2.652 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 96237780 JAKPVMRTRQKNNZ-NRFANRHFSA-N 385.414 2.528 0 40 GFAB COc1cc(=O)n(CC(=O)NCc2ccc(C)o2)nc1-c1ccc(Cl)cc1 96100872 PCTWHDUMJJPIBI-UHFFFAOYSA-N 387.823 2.790 0 40 GFAB O=C(c1ccc(F)cc1)N1CC2(C1)OCC[C@@H]2CCOCC1CCOCC1 247875860 NWCQBBFLULOVBS-SFHVURJKSA-N 377.456 2.890 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1F 257304199 SKMFHLGAIJFTHW-KDOFPFPSSA-N 375.469 2.941 0 40 GFAB CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 575423584 OTPOAJBZATVYPR-SFHVURJKSA-N 385.551 2.932 0 40 GFAB COCCN1C[C@H](COCC2CC2)C2(CCN(Cc3cc(C)on3)CC2)C1 585102701 BBGSWBSPXVMBOY-LJQANCHMSA-N 377.529 2.570 0 40 GFAB CNCC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262975 SCMVJKPLLRSWHZ-AWEZNQCLSA-N 383.883 2.975 0 40 GFAB CC(C)[C@H](NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nnc2ccccn12 663177964 BRYIXFREKYWQTP-KRWDZBQOSA-N 381.484 2.944 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 58197708 IYAMDWNPORHECZ-IRXDYDNUSA-N 379.298 2.927 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](Oc2nccs2)C1 585320805 TVFWDUJSAICBQU-LLVKDONJSA-N 394.396 2.884 0 40 GFAB O=C([C@H]1OCC[C@H]1Cn1cccn1)N1CCN(C2CC2)c2ccc(Cl)cc21 1615623029 YIAFHWAUHNHCMG-LIRRHRJNSA-N 386.883 2.957 0 40 GFAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl 5377804 GFJYYUBZPNOMNJ-ZJUUUORDSA-N 381.704 2.756 0 40 GFAB CC[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 5875856 LZODPHNENRNXCR-HNNXBMFYSA-N 378.469 2.931 0 40 GFAB CN(C)CCN(C)c1nc(N2CCCC2)nc2c1CN(Cc1ccccc1)CC2 12325503 BZYWHMMAETUHSL-UHFFFAOYSA-N 394.567 2.633 0 40 GFAB O=C(CCCc1ccc(F)cc1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19333610 BEQPXKSEUFVKJF-QGZVFWFLSA-N 382.483 2.990 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1F 19559539 SKUZOKCEKGGALR-CQSZACIVSA-N 381.407 2.629 0 40 GFAB COc1cccc(CN2CCN(CC(=O)N3CCc4ccccc43)[C@@H](C)C2)c1 19575645 MRSYXRKXQQPMJD-SFHVURJKSA-N 379.504 2.791 0 40 GFAB CN1CCCCN(C(=O)CCCCN)CCOc2ccc(Cl)cc2C1=O 643556227 GXRTYKMUDOBHEF-UHFFFAOYSA-N 381.904 2.542 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)o1 12748761 WHYCVRYNNMGUPK-OAHLLOKOSA-N 378.432 2.958 0 40 GFAB COCCn1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c2ccccc21 556743073 WPJCIWZTVSAIIB-UIFIKXQLSA-N 386.492 2.680 0 40 GFAB Cc1nc(C)n(CCC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)n1 19285980 DBKMPYWCHIYUHR-UHFFFAOYSA-N 397.523 2.607 0 40 GFAB C[C@H]1CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C[C@H](C)O1 19497517 IEMYQYRIHPTOKL-STQMWFEESA-N 398.429 2.704 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25278116 SLRHCEBKLSEGKQ-MRXNPFEDSA-N 393.365 2.589 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912209 GWIMAKAVBBHQEY-NRFANRHFSA-N 387.407 2.991 0 40 GFAB O=C1COc2ccc(F)cc2CCCC[C@@H]2CN(Cc3cc[nH]n3)CC[C@@H]2N1 2037989000 QRBQWFGQYPVKIJ-APWZRJJASA-N 386.471 2.661 0 40 GFAB Cc1cccc(CN2CCC[C@@]3(CCCN(C(=O)C4=CC=NC(=O)C4)C3)C2)n1 2056223960 JDMILEADQFNWGN-JOCHJYFZSA-N 380.492 2.522 0 40 GFAB O=C1CC2(CCN(C(=O)c3cccc(Cl)n3)CC2)CN1Cc1ccncc1 1565556140 NZSJTNRFFCKQOY-UHFFFAOYSA-N 384.867 2.785 0 40 GFAB CCOc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2OCC)cc1 9571436 AWFLPEJYOKXIGQ-UHFFFAOYSA-N 382.424 2.781 0 40 GFAB CN(C(=O)OC(C)(C)C)C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1 1775971593 RDROLKSZUZOJSS-UHFFFAOYSA-N 398.442 2.986 0 40 GFAB Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)c(=O)n1C 19131698 DMUIPTGATMFTKZ-HBMCJLEFSA-N 397.494 2.973 0 40 GFAB CC(C)C[C@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)C(=O)O 5339977 MVJMLJLSYBIQBG-RJYAGPCLSA-N 399.491 2.818 0 40 GFAB CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 101620698 MRWQYZRQFBDJGN-BXUZGUMPSA-N 385.247 2.653 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3C(c4ccccc4Cl)=NO[C@H]3C2=O)c1 101360755 AVMJNCJSYBFURN-DOTOQJQBSA-N 386.791 2.650 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc(NC(=O)C2CC2)cc1 51708365 JRLSVAOLWLIYRO-UHFFFAOYSA-N 380.322 2.821 0 40 GFAB COC(=O)[C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 101886136 UBBSYLXGXDFTHB-QMTHXVAHSA-N 387.263 2.523 0 40 GFAB CCc1cc2oc(=O)cc(COC(=O)C[C@H]3CCS(=O)(=O)C3)c2cc1Cl 32747115 FLHJJYUNWDSJAF-LLVKDONJSA-N 398.864 2.877 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cccc(OC)c2)cc1 2665172 PDFKZADXTVLZCI-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB C[C@@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102240501 YEKOVALBLFTBDI-JCGIZDLHSA-N 399.491 2.583 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCC)ccc1N1CCCC1 10009926 IMPRORIARXYRFA-OAHLLOKOSA-N 381.542 2.894 0 40 GFAB CN(C)CCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10111451 WAKRTTXCBGPQGH-HXUWFJFHSA-N 387.505 2.735 0 40 GFAB Cc1ccccc1Cn1cnc(NS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1 2804038 CSDIQMFEDDTNJG-UHFFFAOYSA-N 396.423 2.644 0 40 GFAB CC(=O)Nc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 41527552 QZLOAQRVMDELJI-UHFFFAOYSA-N 394.519 2.977 0 40 GFAB C[C@@H](OC(=O)CN1CSCC1=O)C(=O)Nc1ccccc1-c1ccccc1 22504571 CKDDAUXPBNHVTP-CQSZACIVSA-N 384.457 2.757 0 40 GFAB COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1ccc(C)cc1 100490570 JSLNRTHXUFBLGR-UHFFFAOYSA-N 397.456 2.986 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1C)N(c1ccccc1F)S(C)(=O)=O 113968102 UQFCHRZKSHSLJO-KRWDZBQOSA-N 378.469 2.995 0 40 GFAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CC(=O)N(C)C)c(C)c1 12517409 ORPIZZDJXFCXKV-IBGZPJMESA-N 394.475 2.548 0 40 GFAB C[C@H](Cn1ccnc1)NC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 42532697 VCYXONOYIUNOGO-OAHLLOKOSA-N 391.427 2.704 0 40 GFAB Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1 20121158 ZVKUCSLFGZFUKC-OAQYLSRUSA-N 376.508 2.561 0 40 GFAB CCOc1ccc(-c2noc(CN3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1 54991939 HMISPFCZSLEFSH-CQSZACIVSA-N 398.385 2.778 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)Cc2ccsc2)sc2c1CCCC2 3296193 RJICYBXRQAOCST-UHFFFAOYSA-N 378.475 2.512 0 40 GFAB COc1cc(OC)c(NC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1Cl 43413531 OJAUJRGGHBWDHS-UHFFFAOYSA-N 381.860 2.880 0 40 GFAB CCc1nn2c(O)cc([C@H]3CC(=O)N(CCOC)C3)nc2c1-c1ccccc1 100775872 UEIGJYXZUQSRMB-HNNXBMFYSA-N 380.448 2.627 0 40 GFAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1NS(C)(=O)=O 44036629 ASORTFQXMMQUOT-LSDHHAIUSA-N 378.425 2.948 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCOc2ccc(C)cc2)N2CCOCC2)cc1 12791752 VUTSFNKKFBRPES-JOCHJYFZSA-N 398.503 2.962 0 40 GFAB CCOc1cc2c(cc1CN1CCC(N(C)S(=O)(=O)CC)CC1)O[C@H](C)C2 109009553 JXUMFKWYRYUUFM-OAHLLOKOSA-N 396.553 2.655 0 40 GFAB COc1ccccc1N1CC[C@@H](CNS(=O)(=O)c2ccccc2OC)C1 58193029 VDRLLNQBBXQUPT-HNNXBMFYSA-N 376.478 2.509 0 40 GFAB Cc1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 36080507 YIFITLNYFZQEDG-DZFGPLHGSA-N 398.528 2.879 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408560873 QMZBKAWXQPQUGX-AWEZNQCLSA-N 392.477 2.708 0 40 GFAB CC(C)N1CCC2(CC1)Cc1nc(=O)c3c(n1C2)CCN(Cc1ccccc1)C3 306140501 UVEUCJWPUXMRME-UHFFFAOYSA-N 392.547 2.848 0 40 GFAB COc1ccc(OCCSc2nc3nc(C)c(CC(=O)O)c(C)n3n2)cc1 12978179 ATWUPUWAKQQVNW-UHFFFAOYSA-N 388.449 2.548 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(O)cc1 12901776 SEJMVRKJTPRMOW-UHFFFAOYSA-N 379.416 2.846 0 40 GFAB biogenic Cc1ccc(CC(=O)O[C@@H]2OCCO[C@@H]2OC(=O)Cc2ccc(C)cc2)cc1 17249755 VBZVKBHQKKBYJE-SZPZYZBQSA-N 384.428 2.874 0 40 GFAB C[C@]12C(=O)N(CCc3ccccc3F)CC(=O)N1CCc1c2[nH]c2ccccc12 4073508 JYPQLTLPDAOCCA-QHCPKHFHSA-N 391.446 2.992 0 40 GFAB biogenic CCOc1ccccc1-n1nnc(C(=O)Nc2ccc(OC)c(OC)c2)c1N 13682311 ISYISCJHITZXTA-UHFFFAOYSA-N 383.408 2.518 0 40 GFAB COc1ccc(N(C(=O)c2ccccc2C)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 5080715 XNOWYSOEGZQUSR-OAHLLOKOSA-N 387.457 2.970 0 40 GFAB Cc1nc(SCCN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2n1 4221373 JJFAEDCPLAJHLP-UHFFFAOYSA-N 385.470 2.875 0 40 GFAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1Cl 13720738 YURQYMUMWCMCDN-UHFFFAOYSA-N 379.807 2.692 0 40 GFAB O=C(CCCn1nnc2ccccc2c1=O)Nc1ccccc1Br 5203402 CARAMFWWZKYULH-UHFFFAOYSA-N 387.237 2.973 0 40 GFAB O=C(C[C@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)NCCc1ccccc1 14070298 PWKISCVXMGLBQH-QGZVFWFLSA-N 392.484 2.895 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1c1cccs1 14198268 IWYUINNIXAXUHJ-MRXNPFEDSA-N 387.505 2.802 0 40 GFAB CC1CCN(c2nnc(SCn3nnc4ccccc4c3=O)n2C2CC2)CC1 8735452 QOLXETDBQKUMDL-UHFFFAOYSA-N 397.508 2.704 0 40 GFAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(C)cc1 6590062 PBWJCXOGGKYECX-QFIPXVFZSA-N 393.443 2.559 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 14670704 NQISTQRBMPLUQU-MELADBBJSA-N 375.498 2.704 0 40 GFAB COc1cccc([C@H](CN[C@@H](CCO)C(=O)O)c2c[nH]c3ccccc23)c1OC 8749701 PIOBKZPTFFDGSU-HKUYNNGSSA-N 398.459 2.742 0 40 GFAB O=C(c1cc2ccccc2oc1=O)N1CCN(CCOc2ccccc2)CC1 18826792 ZUQMBQYMAUHRCO-UHFFFAOYSA-N 378.428 2.630 0 40 GFAB COCCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCC(C)C)cc1 7498615 SRJVIQZTOMUBTO-UHFFFAOYSA-N 382.482 2.504 0 40 GFAB CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842710 CVHMFUDFMKVSKY-HNNXBMFYSA-N 386.473 2.661 0 40 GFAB NC(=O)[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1 8981055 IXMGMXOHLXQFDI-KRWDZBQOSA-N 389.249 2.755 0 40 GFAB COc1ccc2occ([C@H]3N=C(Nc4ccc(F)cc4)NC(=N)N3)c(=O)c2c1 19330028 GDMFXCWMPNLMSD-QGZVFWFLSA-N 381.367 2.535 0 40 GFAB Cc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1S(N)(=O)=O 16181732 JHDUZJRHBIAJOL-UHFFFAOYSA-N 378.837 2.710 0 40 GFAB COc1ccccc1COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7978929 BWTSCGIBIQZRQW-UHFFFAOYSA-N 375.446 2.837 0 40 GFAB O=C(CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)Nc1ccc(N2CCCCCC2)cc1 9157917 WRJIERYQBCMKNR-RTBURBONSA-N 399.491 2.789 0 40 GFAB O=C(CN1CCCC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 8269883 VCQAKBVISMYPDD-UHFFFAOYSA-N 399.944 2.939 0 40 GFAB Cc1sc2nc([C@H](C)Sc3nnnn3C[C@@H]3CCCO3)[nH]c(=O)c2c1C 9548468 HBIZGSWYRCTRDO-QWRGUYRKSA-N 392.510 2.620 0 40 GFAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1=O 9867845 SGGFTTCKAIJYKV-ORAYPTAESA-N 386.477 2.680 0 40 GFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1 72307357 RBCFUPRXPZBXLF-GJZGRUSLSA-N 389.562 2.540 0 40 GFAB CC(C)c1nc2cc(N(C)C(=O)C3CCN(S(C)(=O)=O)CC3)ccc2o1 95993503 RTNPRRWLIPOWNZ-UHFFFAOYSA-N 379.482 2.586 0 40 GFAB Cc1cccc(NC(=O)Cn2c(C)c(I)ccc2=O)c1 89672807 NVCPOGNSFNIRGT-UHFFFAOYSA-N 382.201 2.708 0 40 GFAB O=C(CCN1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1)NC1CC1 89793811 QMOCTBWOUMWFSM-UHFFFAOYSA-N 388.899 2.781 0 40 GFAB Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC(c2ncc(Cl)cn2)CC1 1548448193 DRDJDHIHWLTRRA-UHFFFAOYSA-N 395.868 2.705 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1cn(C)c(C)cc1=O 524733295 DZQRPEMWQJHBSC-GOSISDBHSA-N 395.459 2.756 0 40 GFAB Cn1cc(/C=C/C(=O)N[C@@H](c2ccccc2)C2CCCCC2)c(=O)n(C)c1=O 32379904 MUTZTZXDAVGNDX-AIGDTVQASA-N 381.476 2.535 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N2C(=O)[C@H](C)Oc3ccccc32)cc1 36734634 VBBICHYKXJXQQU-XHSDSOJGSA-N 398.459 2.781 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 30868611 ITFHQYOSULEULZ-INIZCTEOSA-N 398.459 2.536 0 40 GFAB COc1ccccc1[C@H](O)Cn1cc(C(=O)Nc2ccccc2SC)nn1 77197204 UZQMRFQFICAJSP-MRXNPFEDSA-N 384.461 2.995 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(-c2ccccc2)nn1CCO 49027710 BFJRYIHOTFSSEH-XOBRGWDASA-N 379.416 2.709 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 223347874 GPRASGVGDWEUGT-UHFFFAOYSA-N 395.824 2.544 0 40 GFAB COc1ccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225314256 OZQMWOKJIUCBLS-UHFFFAOYSA-N 379.507 2.578 0 40 GFAB CCCSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)s1 225013442 JXCVDNFFVTWRIJ-UHFFFAOYSA-N 386.524 2.688 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 231644079 OMVZTPFBLLHGGN-OZQHCQBDSA-N 396.418 2.516 0 40 GFAB CCO[C@@]1(C)C[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 528924607 LMXREVBKPCZFBL-WBVHZDCISA-N 398.301 2.975 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2cnccn2)C1 257255395 KHHLCJRPVUWREB-INIZCTEOSA-N 393.495 2.984 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1ccccc1OC 257306083 SSUZTRZROZBDSH-NQIIRXRSSA-N 382.460 2.548 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC2CCN(c3ccccn3)CC2)cn1 663679632 IZPRIHGOPCNMPI-QUCCMNQESA-N 398.511 2.657 0 40 GFAB COc1ccc(CNC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1OC 36593793 QEMPLWYAYTXXKF-MRXNPFEDSA-N 397.431 2.500 0 40 GFAB biogenic Cc1ccc(C(=O)NC2CCN(c3ncccc3-c3nc(C)no3)CC2)cn1 90592010 LSVRAWPJZBPBGL-UHFFFAOYSA-N 378.436 2.542 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1 96373754 JEGSZPCZWDQQFV-UHFFFAOYSA-N 393.530 2.930 0 40 GFAB Cn1cc(/C=C/C(=O)N2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cn1 585290360 QOJNEZQWYWZPEL-SUEBBETASA-N 381.476 2.800 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@@H](c2nccnc2Nc2ccccn2)C1 585293180 RSKPLZPNPYEAQI-GFOMBABLSA-N 386.459 3.430 0 40 GFAB COc1cc(NC(=O)N2CCC[C@H]2c2nncn2C)ccc1Br 95453512 RHWSJBIKPDBNQC-LBPRGKRZSA-N 380.246 2.955 0 40 GFAB Cc1ccc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1Cl 585188710 KCADXRVMPVJKEF-CYBMUJFWSA-N 393.896 2.946 0 40 GFAB COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(C)c(Cl)c2)CN=3)cc1 2258403 GOMCCVCLASPTDW-NVMNQCDNSA-N 399.903 2.764 0 40 GFAB Cc1nc2ncnn2c(N2CCC(COc3ccc(C4CC4)nn3)CC2)c1C 1775969340 LYZSSNIUJXIEPD-UHFFFAOYSA-N 379.468 2.704 0 40 GFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 5428608 QAMHHKROZYHICJ-UHFFFAOYSA-N 385.445 2.997 0 40 GFAB O=C(c1cscn1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 12118967 DLIAJLYANCJSLW-UHFFFAOYSA-N 382.371 2.619 0 40 GFAB CCCNC(=O)CN1CCC(n2c(C)nc3sc(C)c(C)c3c2=O)CC1 12145420 HSRWYAGXNGMABS-UHFFFAOYSA-N 376.526 2.546 0 40 GFAB CCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 13668528 XZKUQTZSCZMDNG-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@H](C)C1 13672423 UJMSMYBMVQEHKN-HNNXBMFYSA-N 380.510 2.742 0 40 GFAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(C)cc1)S(C)(=O)=O 13713323 JELXZOHYTPZLCH-INIZCTEOSA-N 390.461 2.907 0 40 GFAB CC(C)C(=O)N1CCO[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19085798 CFRNIIRBDVYKNF-QHCPKHFHSA-N 395.503 2.633 0 40 GFAB Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)cc2)c1 19235340 DCSYZCHQHWWYRX-QHCPKHFHSA-N 378.472 2.697 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)cc1OC 19560416 HESYNWOACNEXFO-HNNXBMFYSA-N 380.448 2.924 0 40 GFAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)c3ccc(O)nn3)c2)O[C@@H](C(C)C)C1 19712216 KZROOFYMVXAIQH-QRQLOZEOSA-N 398.463 2.815 0 40 GFAB Cc1cnc2c(C(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)cnn2c1 19748955 PAYDRMUZRAWZAR-GOSISDBHSA-N 391.475 2.853 0 40 GFAB CCCC(=O)N1CC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 19751747 FVPSZWLHSRIGQB-KRWDZBQOSA-N 396.491 2.840 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)CCc2ccno2)CC1 13266648 WUJVVYYHAVYJFY-UHFFFAOYSA-N 396.422 2.800 0 40 GFAB CN(CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)cc1 19655188 SLAJYZOEGIRULS-UHFFFAOYSA-N 391.468 2.831 0 40 GFAB COc1cc2nc(C)n(CC(=O)Nc3ccc4ncn(C)c4c3)c2cc1OC 19718841 YEBKTUFAIDJSIY-UHFFFAOYSA-N 379.420 2.887 0 40 GFAB Cc1cc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(C)n1C1CC1 10911683 URPDWAWEDBWTJS-UHFFFAOYSA-N 381.354 2.602 0 40 GFAB O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888859533 LLOXDQHEXGCGDN-HNNXBMFYSA-N 392.381 2.538 0 40 GFAB COc1ccc(OCC(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1 1775995323 NXCRBRBHGWQDTD-UHFFFAOYSA-N 399.491 2.792 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839694 ANTIQXZXZKTYTN-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1 4272572 USXXRMPIYOXQMN-QGZVFWFLSA-N 396.466 2.771 0 40 GFAB COc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccco3)n2)c1C 9941042 HQUPIIFVYWKPJC-UHFFFAOYSA-N 382.405 2.948 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 10104791 OYGHQBFZCAJCCX-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cccc(F)c1 11693865 KWGQPBVYJCKTKO-UHFFFAOYSA-N 395.369 2.878 0 40 GFAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)CCc2ccccc2Cl)C1 2055771466 AGJVZDWYNFGAHB-FQEVSTJZSA-N 388.899 2.575 0 40 GFAB COc1cccc(CSc2nc(C)c(CC(=O)Nc3cccnc3)c(=O)[nH]2)c1 23138538 PGXXIDYVRRQMBG-UHFFFAOYSA-N 396.472 2.955 0 40 GFAB CCOC(=O)C1CCN([C@H](c2ccco2)c2sc3nc(C)nn3c2O)CC1 23158071 JDFWIFGKKQADOX-CQSZACIVSA-N 390.465 2.762 0 40 GFAB Cc1ccc(-c2cc(C(=O)O)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1 26421279 RPANQLKFUJMVSR-AWEZNQCLSA-N 385.445 2.773 0 40 GFAB O=C(NC[C@@H](c1ccco1)n1cccn1)C(=O)Nc1ccccc1C(F)(F)F 575614321 QKDVQDNXFKVYKX-AWEZNQCLSA-N 392.337 2.839 0 40 GFAB Cc1cc2c(cc1NC(=O)[C@H](C)Oc1ccccc1F)N(C)S(=O)(=O)N2C 575612025 JVRXOXHSYANPBB-LBPRGKRZSA-N 393.440 2.671 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19499439 UCKNEPMFCDSGBT-ROUUACIJSA-N 384.455 2.783 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](c3cccs3)N(C)C)ccc12 24061141 WPJIBKZZBUKQLN-INIZCTEOSA-N 386.473 2.961 0 40 GFAB Cc1nc(CN2CCN(Cn3nc(-c4ccco4)n(C)c3=S)CC2)cs1 30003272 NXXUMEKAILAQJJ-UHFFFAOYSA-N 390.538 2.751 0 40 GFAB CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 40057562 AMYVTZAAIKPSRX-GJZGRUSLSA-N 396.509 2.785 0 40 GFAB CC(C)(C)c1noc(CCC(=O)N2CCN(CCOc3ccccc3)CC2)n1 40090238 VNQNCDLGTXHQNT-UHFFFAOYSA-N 386.496 2.523 0 40 GFAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1nc(N2CCCC2)ncc1Cl 40145507 UMVUZDFJRRMTTH-UHFFFAOYSA-N 396.882 2.905 0 40 GFAB CCC(=O)N1CCc2cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)ccc21 40145204 WUCXXHVDDSFDAD-UHFFFAOYSA-N 396.472 2.556 0 40 GFAB CC[C@@]1(C)Cc2c(sc3nc(SCCN4CCOCC4)nc(N)c23)CO1 20547922 NNWSSICQTDRHBP-SFHVURJKSA-N 394.566 2.939 0 40 GFAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)NC1CCCC1 20533812 VDOXOOKKCFDSHA-UHFFFAOYSA-N 381.476 2.686 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3cccs3)C2)s1 45824313 IILMFNJHPKBGRH-AWEZNQCLSA-N 398.575 2.878 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(CCc2ccncc2)CC1 20677994 NIPMJAFWZFWFSL-FQEVSTJZSA-N 382.439 2.688 0 40 GFAB C[C@@H](OC(=O)[C@@H]1COCCO1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 46313376 VBDUIIQJMKDQPF-HQJQHLMTSA-N 382.627 2.932 0 40 GFAB CCNc1nc(NCC)n2nc(S[C@H]3CCc4ccccc4C3=O)nc2n1 6349445 BFPICFGOCMPXMT-ZDUSSCGKSA-N 383.481 2.673 0 40 GFAB CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 4388394 NBYRZPXMWJPDPW-GOSISDBHSA-N 392.507 2.570 0 40 GFAB Cc1nc2cc(C(=O)O[C@H](C)C(=O)N3CCOCC3)ccc2n1-c1ccccc1 7738462 NNRJMJCZUZMAAP-OAHLLOKOSA-N 393.443 2.738 0 40 GFAB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NC1CCCCC1 8475806 HCCMSFHBJBTZLE-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 21556325 VUUDBTXGVJPXOC-HNNXBMFYSA-N 376.453 2.590 0 40 GFAB COc1ccc(N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 10328329 FFHPROQNEDERLT-UHFFFAOYSA-N 376.906 2.810 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@@H]1Cc3ccccc3C(=O)O1)O[C@@H](C)C2 9054157 FPMMVHZGIGGETH-RBZFPXEDSA-N 381.428 2.807 0 40 GFAB Cn1c(CCC(=O)OCC(=O)c2ccc(Cl)cc2)nc(=O)c2ccccc21 21815154 KBAOPKSYPGBXMN-UHFFFAOYSA-N 384.819 2.946 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)CCO2 57765384 ULGMALBDQJZDAW-UHFFFAOYSA-N 377.462 2.850 0 40 GFAB COc1ccc(OC)c2c1cc(C(=O)NCCCC(=O)Nc1ccccn1)n2C 12324876 FGIQVLDCMWKMLK-UHFFFAOYSA-N 396.447 2.739 0 40 GFAB C[C@H](O)CNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 819281 PZMYTSMOBROBFO-SFHVURJKSA-N 382.504 2.975 0 40 GFAB O=C(COC(=O)c1cc(Cl)c[nH]1)Nc1cc(Cl)ccc1-n1cncn1 25198961 IJZBRODFMLBJBS-UHFFFAOYSA-N 380.191 2.698 0 40 GFAB COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O 22362746 UUNMXPBMSBFZNW-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 25457489 TUZKANUMWHLFPE-OAHLLOKOSA-N 381.432 2.897 0 40 GFAB COc1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1C 12507681 VCCKWWSGLZMLPZ-SFHVURJKSA-N 379.420 2.611 0 40 GFAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1nnc(-c2ccsc2)o1 44601190 HDBCJXFSSIBKDS-UHFFFAOYSA-N 381.421 2.654 0 40 GFAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C2CC2)no1 44711953 MQYYZJMOVMDSMG-OAHLLOKOSA-N 387.436 2.627 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3226820 RIGFNHGLNFWQFI-UHFFFAOYSA-N 377.780 2.938 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1OC 2411465 ZQRRLLXFGRSJPT-UHFFFAOYSA-N 384.413 2.937 0 40 GFAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 3388416 FUZSLZIXFNJSTE-UHFFFAOYSA-N 379.416 2.588 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 12787220 PAHSCZHXLYWBJD-AWEZNQCLSA-N 381.432 2.546 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1 12747487 ZXNOFPHKHGLVAC-INIZCTEOSA-N 388.489 2.907 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cnn(Cc2ccccc2)c1 12924131 GLLDSXUYQQNCMF-IWGBCORSSA-N 389.455 2.845 0 40 GFAB Cc1ccc(N2C(=O)N(CN3CCN(c4ccccc4)CC3)C(=O)[C@@H]2C)cc1 13098099 AQZOCEMBMGDRPP-SFHVURJKSA-N 378.476 2.932 0 40 GFAB CCCn1c(=O)n(CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c2ccccc21 13002214 BINAKYLGGQYKMY-UHFFFAOYSA-N 392.459 2.761 0 40 GFAB COc1ccccc1C1(CNS(=O)(=O)Cc2ccccc2)CCOCC1 16973291 VRABAXUVYOIVFF-UHFFFAOYSA-N 375.490 2.863 0 40 GFAB CCCNC(=O)C(=O)c1cccn1-c1c(C(=O)OCC)cnn1-c1ccccc1 4050340 GBBIYGWZBHPRPY-UHFFFAOYSA-N 394.431 2.549 0 40 GFAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1N1CCCCC1 13732829 HESQPLIUTFWITD-GJZGRUSLSA-N 385.942 2.984 0 40 GFAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 13751559 IEOLSSVUGGXTMW-UHFFFAOYSA-N 389.887 2.593 0 40 GFAB COc1cc(OC)c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(OC)c1 409084145 BPCLCMTUEAYCAY-OVCLIPMQSA-N 395.433 2.700 0 40 GFAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)n2nnc3ccccc3c2=O)c1 5271436 FGRKIDAONMYQGZ-KRWDZBQOSA-N 380.404 2.558 0 40 GFAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C(C)C)cc1)C1=C(COC1=O)N2 4495992 AWYNGUSFUGSQRF-INIZCTEOSA-N 395.459 2.828 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]32)cc1 4484066 YTNTXHKIGHUMTN-MOPGFXCFSA-N 391.431 2.544 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 65523082 GONRLJUQFHLLBM-KURKYZTESA-N 376.520 2.929 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)c1 5346653 CVGLJUHKVYEALG-IBGZPJMESA-N 386.404 2.853 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(CN2CCOCC2)cc1 29882012 PSABHHNBPSPDJO-SOFGYWHQSA-N 380.444 2.577 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4ccccc4)CC3)ccc12 6551244 VYTRHAIXWGPRAN-UHFFFAOYSA-N 378.428 2.829 0 40 GFAB biogenic Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 4648704 YWOBAKLKZHHUQQ-UHFFFAOYSA-N 398.444 2.823 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc(F)cc1 6623295 UFANQGSQIXKWET-KRWDZBQOSA-N 394.424 2.753 0 40 GFAB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1 6804479 HPXFEECIENHDDS-UHFFFAOYSA-N 399.454 2.690 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(F)c(F)c1F 6936309 MMBYPSRUEOGBEL-HNNXBMFYSA-N 398.406 2.819 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 8769078 KPGVINHTWHFGAA-LJQANCHMSA-N 390.443 2.684 0 40 GFAB Cc1ccc(-c2nc(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)cs2)cc1 18230270 UQVJGYPPYQDGEH-UHFFFAOYSA-N 398.488 2.947 0 40 GFAB O=C(Cn1ncc2c(c1=O)CCCC2)NCCn1ccc2ccc(Cl)cc21 71282699 MBEALUATJWQDNM-UHFFFAOYSA-N 384.867 2.547 0 40 GFAB COC(=O)C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccccc1Cl 9155693 ZKHGCKUULVZCFV-ZDUSSCGKSA-N 380.853 2.552 0 40 GFAB COc1ccc(CCNC(=O)CCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC 9763251 GXOROZWVWQYPEO-HZPDHXFCSA-N 376.497 2.647 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(NC(C)C)s2)c1C 9256090 VYFMDFMNYMDLMD-UHFFFAOYSA-N 393.538 2.822 0 40 GFAB Cc1nn(-c2ccc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cn2)c(C)c1Cl 72405185 FGAXMBLMMFBPGD-AWEZNQCLSA-N 389.887 2.981 0 40 GFAB O=C(CN1CCCc2sccc2C1=O)NCc1nc(-c2ccc(F)cc2)c[nH]1 84419373 KDNJKLJFLPTDHO-UHFFFAOYSA-N 398.463 2.982 0 40 GFAB CN(c1ccccc1NC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)C1CCCC1 95460986 OZLPHUJHPUJPBM-HNNXBMFYSA-N 394.541 2.598 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)C2)n[nH]1 95966359 DYPQJFKQKHDZLG-AWEZNQCLSA-N 390.871 2.877 0 40 GFAB CC(=O)NC1CCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 79097010 LDECNSXRYBYICD-ZWKOTPCHSA-N 395.544 2.977 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306140346 UQPMFXRNXHBCTO-QGZVFWFLSA-N 385.493 2.711 0 40 GFAB Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1NS(C)(=O)=O 32731190 LUZCYCPJJREEPN-SFHVURJKSA-N 393.484 2.538 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@H]21 306123936 BAYCPEKGZUAETR-PZJWPPBQSA-N 377.469 2.899 0 40 GFAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2n[nH]c3c2CCC3)CC1 72348254 BFMKHWWOHMYKOP-UHFFFAOYSA-N 389.459 2.558 0 40 GFAB CCn1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)n2CC)n1 32604912 VZEHUBMJZRPJRZ-UHFFFAOYSA-N 399.476 2.928 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 223590089 ATCYWAYTIUMSSZ-QZTJIDSGSA-N 399.907 2.886 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225942956 KKEXQHFWPKQDMP-SUMWQHHRSA-N 376.453 2.784 0 40 GFAB COc1cccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225951373 RJTVPOFQPHPVGI-INIZCTEOSA-N 382.869 2.968 0 40 GFAB CCCc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 223928607 KICSXAQWNZKZSQ-UHFFFAOYSA-N 376.478 2.819 0 40 GFAB CN(CCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccccc1 222502465 XMCMLBBACBNYJS-UHFFFAOYSA-N 395.912 2.602 0 40 GFAB CCOc1cc([C@@H](N)c2n[nH]c(CNc3ccc(OC)cc3)n2)ccc1OC 95534399 LAFLOWFSYJVBJV-LJQANCHMSA-N 383.452 2.881 0 40 GFAB CN(C)C(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc1O2 96053137 ZGCNWTMVUOWNGI-KRWDZBQOSA-N 385.508 2.985 0 40 GFAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96071541 HVTCIIFHAMOICU-INIZCTEOSA-N 390.427 2.736 0 40 GFAB Cc1nc(CN2C(=O)COC3(CCN(Cc4ccco4)CC3)[C@H]2C)cs1 96062272 NYMONVIKAMNINQ-CQSZACIVSA-N 375.494 2.827 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 250668956 KIEPQVIROGFTKR-NHYWBVRUSA-N 399.274 2.900 0 40 GFAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccccn3)CCN21 253399625 JSKZMIYYOQMCIG-NRFANRHFSA-N 393.535 2.572 0 40 GFAB biogenic,in-vitro COCCNC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1 260739992 RJPJQPQITFXQKP-SNVBAGLBSA-N 377.436 2.807 0 40 GFAB Cn1nc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)cc1C1CC1 630140096 KPNFKVRCAWENQD-QGZVFWFLSA-N 396.447 2.629 0 40 GFAB CC1(C)Cc2cccc(C(=O)N3CCCNC(=O)[C@H]3Cc3ccccc3)c2O1 653851428 UFHYSDVRYHZVLR-LJQANCHMSA-N 378.472 2.974 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCCO3)c2)c(C)c1 390828202 PKKPOYYZUVBQPG-QGZVFWFLSA-N 392.481 2.520 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(O)C1)C2 585106893 KTJRVFQCQOFMGL-CNXQINBVSA-N 380.492 2.547 0 40 GFAB COc1ccc(-c2noc(Cn3c(=O)n(C4CC4)c(=O)c4ccccc43)n2)cc1 824692129 QXUFIPYQCVGTKC-UHFFFAOYSA-N 390.399 2.605 0 40 GFAB C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cccnc1OCc1ccccc1 53515136 ZXOOBIBSPIEIKG-MRXNPFEDSA-N 381.476 2.972 0 40 GFAB CC(C)CC(=O)N[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1 66610409 RHPDOZSNSUGEGM-NRFANRHFSA-N 391.475 2.787 0 40 GFAB Cc1cc(I)ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100518031 HGECLFRJMUQNGK-NUZBWSBOSA-N 379.197 2.911 0 40 GFAB CCCc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)no1 1615158402 MMGXPKHLZZZRGX-OAQYLSRUSA-N 383.448 2.665 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5557433 CFMVDPNWKKQRBP-OAHLLOKOSA-N 380.400 2.652 0 40 GFAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2nccn2C)CC1 12444522 SKSMJSQPRVKHHN-UHFFFAOYSA-N 385.855 2.999 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc2ccc(F)cc2s1 14383940 KJEJIJLKUPAYCK-VXGBXAGGSA-N 375.425 2.939 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)NCc2ccccc2)c1 15518401 QSCMIKFVAKZFEL-IBGZPJMESA-N 397.475 2.867 0 40 GFAB O=C(Cc1ccccc1F)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19348038 UNQGZYBLYRKTST-INIZCTEOSA-N 378.407 2.530 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC(c3ccc(Cc4ccccc4)cn3)CC2)c1 19690393 UFDKXTNPKQGBMA-UHFFFAOYSA-N 396.516 2.974 0 40 GFAB CCn1nc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)c2ccccc2c1=O 19716931 BBVQVVSGXQWKQB-UHFFFAOYSA-N 380.433 2.526 0 40 GFAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnccn2)ncc1C(=O)N1CCCCC1 19765715 PWNPRZGPWIUYJP-SFHVURJKSA-N 394.479 2.569 0 40 GFAB CC(=O)N1c2ccc(NC(=O)COc3ncnc4ccccc34)cc2C[C@H]1C 12204380 YUPWYKRFZZVQCR-CYBMUJFWSA-N 376.416 2.945 0 40 GFAB CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(C(=O)C3CCC(=O)CC3)C2)C1 12365380 JKCJFDIRGXOERH-QHCPKHFHSA-N 398.503 2.856 0 40 GFAB COC(=O)c1ccc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)cc1 12326787 HFTXMVKGPIAHRD-UHFFFAOYSA-N 378.432 2.657 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1O 19559710 GCDWOKJOLYLSEN-OAHLLOKOSA-N 376.478 2.579 0 40 GFAB COc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c(OC)c1 23127611 WDGYMJHFTBGGET-UHFFFAOYSA-N 382.526 2.637 0 40 GFAB O=C([C@@H]1CCCN(c2ncc(Br)cc2F)C1)N1CCSCC1 1888856612 JZWGDMMPINVXJL-LLVKDONJSA-N 388.306 2.775 0 40 GFAB O=C(c1cc(C2CC2)on1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888856724 GZOLLMJHOGHITN-RYUDHWBXSA-N 393.369 2.569 0 40 GFAB Cc1ccc(CN2C(=O)N[C@@]3(CCCN(C(=O)c4cccc(F)c4)C3)C2=O)cc1 1888913232 COZIUGLSGIUNOG-JOCHJYFZSA-N 395.434 2.861 0 40 GFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(Cc2cccc3ccccc23)CC1 22775588 FYNNBNJJJSGXFF-FGZHOGPDSA-N 389.499 2.866 0 40 GFAB O=S(=O)(NCC1CCN(C2CCSCC2)CC1)c1cc(F)ccc1F 244942755 CYJWZSXNQUGKTH-UHFFFAOYSA-N 390.521 2.851 0 40 GFAB O=C1NCCOCCCCN(Cc2ccc(F)cn2)CCOc2ccccc21 2037988861 LUBIYXDQLQIWHN-UHFFFAOYSA-N 387.455 2.642 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)c3c(F)cccc3F)CC2=O)cc1OC 5221618 HZLOBBXAYAAMPK-NSHDSACASA-N 376.359 2.517 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1Cl 13036711 BUDUDPKCHWMBFJ-UHFFFAOYSA-N 383.770 2.759 0 40 GFAB Oc1c([C@H](c2ccco2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 22031010 GTQGVPSIDKMWQW-KRWDZBQOSA-N 395.488 2.997 0 40 GFAB C[C@H](O)CNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 101282260 QLDGDQXUSWWSHA-NSHDSACASA-N 396.834 2.583 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 101334087 AOWIXFQNVGMGPM-ZNFSNMQZSA-N 377.437 2.638 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148303 XVUPBHFGVJDDOX-GOSISDBHSA-N 382.391 2.552 0 40 GFAB O=C(NCCCn1nc2ccccn2c1=O)c1cc(-c2cccc(Cl)c2)on1 40155268 MUVIMGKLWUKJGG-UHFFFAOYSA-N 397.822 2.625 0 40 GFAB CCOc1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 835384 ZRPDSKJBOOGXRK-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20731127 WDRICCJVNAHBKO-INIZCTEOSA-N 375.388 2.670 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCCN(c2ncccn2)CC1 20721077 JVVRMSSCGWZCHG-KRWDZBQOSA-N 385.855 2.949 0 40 GFAB Cc1onc2c(=O)n(CCS(=O)(=O)c3ccccc3)nc(-c3ccccc3)c12 60367302 LLNIDRFSPPJOAT-UHFFFAOYSA-N 395.440 2.834 0 40 GFAB Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 6861645 PEFBJALNJKHAKN-VQHVLOKHSA-N 388.840 2.650 0 40 GFAB CC[C@@H](C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 7557702 ZNTMFOBUCLVFCU-CQSZACIVSA-N 397.427 2.760 0 40 GFAB COc1ccccc1-c1noc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 32797381 OGBZJUBFTZCANM-CYBMUJFWSA-N 387.461 3.000 0 40 GFAB C[C@@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)c1c[nH]c2ccccc12 21591482 OHUJYGDCLQTJCD-CQSZACIVSA-N 379.416 2.828 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCOCC2)sc2c1CC[C@@H](C)C2 21822435 XUNRZMFDJQJKMI-CHWSQXEVSA-N 380.510 2.709 0 40 GFAB Cc1nn(C)c(C)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 2777597 JVEXXQZOINLXRG-VIFPVBQESA-N 385.493 2.625 0 40 GFAB NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC(F)F)cc3)sc2c1 9988689 BVFUSNYKIFQNNX-UHFFFAOYSA-N 399.400 2.797 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 23241093 QTAOTTYLRJSSNX-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CC1)c1cccc(Cl)c1 22839340 GHFNKMMSGRJZJI-UHFFFAOYSA-N 392.908 2.954 0 40 GFAB COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1NC(C)=O 57013822 UCFYVXAQGLZROC-UHFFFAOYSA-N 392.477 2.628 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@H](c2ccco2)N(C)C)cc1 23236403 XQXQXVMJTZAOHX-OAHLLOKOSA-N 385.493 2.554 0 40 GFAB COc1cc2cc(C(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)[nH]c2cc1OC 104906152 WUVJTPYFDIRIFF-ZFWWWQNUSA-N 393.443 2.606 0 40 GFAB O=S1(=O)C=C[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 1280989 VIQUOVWGDSKBFI-HNNXBMFYSA-N 383.878 2.846 0 40 GFAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)Cc2ccccc2Cl)CC1 47533441 CNWHDJMWVSTQGZ-UHFFFAOYSA-N 395.931 2.942 0 40 GFAB Cc1ccc2nc(CNc3ccccc3C(=O)NC[C@H]3CCCO3)cc(=O)n2c1 12557417 TWOUEBCZCOMZNF-QGZVFWFLSA-N 392.459 2.524 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)CSc2nc(C)cc(N)n2)cc1 102912265 HBRNQUPMQAAGTE-PYCFMQQDSA-N 385.518 2.807 0 40 GFAB Cc1cc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)ccc1F 105618704 MTGUCQCNUNRNDM-UHFFFAOYSA-N 376.453 2.735 0 40 GFAB NC1=N[C@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@@H]2CS1 114944680 NIDRNVHMMDAAIK-MLCYQJTMSA-N 390.415 2.515 0 40 GFAB in-vitro Cc1cc(N2CCN([C@H](C)c3nc4ccccc4s3)CC2)n2ncnc2n1 26759138 CBHXBOLLEYFQKF-CQSZACIVSA-N 379.493 2.926 0 40 GFAB CCN(CC)[C@@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1ccccc1 24943452 TVVMLOAVVGBRJK-IBGZPJMESA-N 395.459 2.560 0 40 GFAB COc1cc(-c2nnc(SCC(=O)NC(C)(C)C)o2)cc(OC)c1OC 3371970 ZDRQITUMRAIRIN-UHFFFAOYSA-N 381.454 2.769 0 40 GFAB CC(C)Oc1ccc(NC(=O)CCc2nc(-c3nc[nH]n3)no2)cc1Cl 58289751 GECUPCKYXBRAND-UHFFFAOYSA-N 376.804 2.867 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 10454882 NZIPFDKWGFVCBJ-INIZCTEOSA-N 395.434 2.622 0 40 GFAB CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)c2cccn2C)c1C 3370973 FJURZWSKLDEHOP-UHFFFAOYSA-N 379.416 2.558 0 40 GFAB CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(F)c2)c(S(C)(=O)=O)c1 58413117 LIFYIDARAIPBHW-INIZCTEOSA-N 397.493 2.974 0 40 GFAB CCCCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCS(=O)(=O)C1 10641518 WDIHVFIZSSMMJM-IBGZPJMESA-N 389.521 2.919 0 40 GFAB O=C(NCCc1ccccc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 12787531 WCJYOEZFTWAOQK-INIZCTEOSA-N 375.515 2.938 0 40 GFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12771603 UBTPQKPAOMHSPU-SNVBAGLBSA-N 380.429 2.659 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccco3)C2=O)c1 36601464 MJXWPYOEKOQPLP-MRXNPFEDSA-N 399.403 2.500 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 3521287 IHWMWNVCXFWLBJ-GFCCVEGCSA-N 381.388 2.886 0 40 GFAB CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NCC)ccc2C)s1 12975507 WHJNDIKGMJSSRY-UHFFFAOYSA-N 382.511 2.740 0 40 GFAB CSc1ccc(N2C[C@H](C(=O)NC[C@H]3COc4ccccc4O3)CC2=O)cc1 13014727 WTXOEDKNCMNTPW-ZBFHGGJFSA-N 398.484 2.718 0 40 GFAB C[C@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCc1ccc(O)cc1 13571061 KFMVTIWCSAMGGS-VIFPVBQESA-N 377.857 2.551 0 40 GFAB Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)o1 306138873 SJXGZVDGOVNTDI-QZTJIDSGSA-N 376.416 2.506 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O 4477248 NYULUVHNVRZRGQ-NRFANRHFSA-N 382.416 2.744 0 40 GFAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)c1ccc(Cl)cc1 4956287 MFTCLTLWWTWMKF-MLHJIOFPSA-N 378.815 2.821 0 40 GFAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 6946490 LJLIZUCKLIUUFO-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)CN2c3ccccc3CC[C@@H]2C)ccc1C 7217959 QEPQHPRMYRSXQY-HNNXBMFYSA-N 387.505 2.683 0 40 GFAB CCOC(=O)CSCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 7449991 JAAPRXCYAURRHY-SNVBAGLBSA-N 385.507 2.894 0 40 GFAB CC(C)[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 7808554 MHNLRHRBLLKGFQ-KRWDZBQOSA-N 375.432 2.937 0 40 GFAB COCCn1c(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc2ccccc21 96223808 XCIHLISTGGECPV-UHFFFAOYSA-N 376.416 2.787 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@H]2C)C1=O 9465948 OVZDYBCEULMFSA-LRAJWGHMSA-N 387.480 2.642 0 40 GFAB Cc1nc2ccc(NC(=O)C(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)cc2o1 95461216 VZLBTYJSKUEKEV-GOEBONIOSA-N 383.404 2.782 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(-n3cccn3)cc2)c1 9905196 LORLTYFJWSOIHO-UHFFFAOYSA-N 375.432 2.824 0 40 GFAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 60127380 OZDAYODSDJHJKW-UHFFFAOYSA-N 389.429 2.676 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccoc2)C1=O)N1CCN(c2ccccc2)CC1 409016902 UEDXZRIWKPYXOU-SFQUDFHCSA-N 397.456 2.665 0 40 GFAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)n1 408621448 MEIBUIBVRCVFJF-UHFFFAOYSA-N 380.477 3.123 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1)C(=O)OC 36569618 JEHJXCVOKBAXCT-NJAPINKUSA-N 388.443 2.794 0 40 GFAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)c1 33881676 XCFTYUUXKPWZKG-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB Cc1cc(C)n([C@@H](C)CCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1 36615010 QCNICCAARJIUNK-JTQLQIEISA-N 375.445 2.638 0 40 GFAB COC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)cc1 32646785 APFLUJIUYGBIEB-UHFFFAOYSA-N 386.795 2.725 0 40 GFAB C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cc(-c3ccsc3)nn1C)C[C@@H](C)O2 564286669 XHNRCXYBUIKERJ-FHSNZYRGSA-N 376.482 2.949 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1C[C@@H]1CCCO1 30343218 SFAIJRFIOVZYFA-YCRPNKLZSA-N 399.447 2.527 0 40 GFAB CCc1onc(C)c1-c1nc(N2CCC(C(N)=O)CC2)ncc1-c1ccncc1 72342879 GJMKXEOBRYHYGO-UHFFFAOYSA-N 392.463 2.766 0 40 GFAB CC(C)Oc1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 223335844 MQJALEVFXJIPNX-LJQANCHMSA-N 390.505 2.723 0 40 GFAB COc1ccc(-c2noc(CCC(=O)NCCCn3nc(C)cc3C)n2)cc1 40033470 NHRIENYFPQUYRT-UHFFFAOYSA-N 383.452 2.698 0 40 GFAB O=C(NCCCOC1CCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 224382546 BOQVGEFYDJOMFX-UHFFFAOYSA-N 380.510 2.696 0 40 GFAB C[C@@H](C(=O)NCCCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220314561 BOSRECYTEQBZEO-HNNXBMFYSA-N 378.469 2.729 0 40 GFAB COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 77184875 OUUIBZZXZZBSOZ-FQEVSTJZSA-N 390.867 2.705 0 40 GFAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224194462 FBQMTNXOERAMAS-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB CCC[C@H](C)NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225048149 XWUJYTZIFKVEQH-HNNXBMFYSA-N 382.526 2.717 0 40 GFAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 96374615 USFGFWCGGYRLAC-UHFFFAOYSA-N 381.523 2.814 0 40 GFAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@@H](n2cc(CO)nn2)C1 577979736 TVETXTDICMZOTE-GOSISDBHSA-N 378.436 2.701 0 40 GFAB CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 96111863 AEBWVIFGBDQIFY-FPOVZHCZSA-N 392.503 2.544 0 40 GFAB biogenic,in-vitro CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)NCc1ccccc1)C2 96227423 NQQREKMESAGOOY-KNQAVFIVSA-N 378.476 2.662 0 40 GFAB O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(C(=O)Nc3ccccc3)C2)C1 96225291 VCJLMAUMWJSLQH-OAQYLSRUSA-N 393.447 2.541 0 40 GFAB O=C(CN1CCOCC1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257224789 FDIXTFHEWYJGOK-IBGZPJMESA-N 387.455 2.790 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)CC3CCOCC3)C2)ncn1 257319562 VTBCNZZVKVBGRJ-QGZVFWFLSA-N 384.480 2.956 0 40 GFAB Nc1nc(N)c2c(n1)O[C@]1(CCN(CC(c3ccccc3)c3ccccc3)C1)C2 257237290 HFWDAXNWJIEMPK-HSZRJFAPSA-N 387.487 2.853 0 40 GFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1)c1ccncn1 257302155 SBSSISIDUXQDOD-FUDKSRODSA-N 394.519 2.544 0 40 GFAB O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2c(n1)OCCO2 656234241 WLVFTJRSHVLOHA-UHFFFAOYSA-N 396.321 2.599 0 40 GFAB Fc1ccc(-c2cn(CC3CCN(c4ncnc5[nH]cnc45)CC3)nn2)cc1 67947267 FGHQXERPKZXQAN-UHFFFAOYSA-N 378.415 2.667 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl 90610641 DYKPUCYCBFGHQJ-CQSZACIVSA-N 388.272 2.940 0 40 GFAB COc1ccc(COCC(=O)N2CCN(c3nccc4sccc34)CC2)cn1 585123739 WAEDZVFVOJLACS-UHFFFAOYSA-N 398.488 2.565 0 40 GFAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]12 585109588 CIERNOPZVXRUDA-QNWVGRARSA-N 398.478 2.875 0 40 GFAB CC(C)(O)COc1ccc(CN2C[C@H](O)[C@@H](Oc3ccc(F)c(F)c3)C2)cc1 585273407 UQDRCHUODXRBFS-PMACEKPBSA-N 393.430 2.739 0 40 GFAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cncc(C(=O)O)c3)C2)cc1 630113309 DRYVUSGHHPCMOJ-OAHLLOKOSA-N 396.447 2.762 0 40 GFAB O=c1cc2c(nn1CC1CCN(c3cc(C(F)(F)F)ncn3)CC1)CCCC2 585500355 HWXQLBYTYULDPU-UHFFFAOYSA-N 393.413 2.848 0 40 GFAB CCOC(=O)[C@H]1C[C@@]2(C)[C@H](CCCC[C@H]2O)N1S(=O)(=O)c1ccc(C)cc1 1547139847 ZJRZYKZLCWIHRO-RMJJICAUSA-N 395.521 2.631 0 40 GFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc21 5804917 UBCTYUBUPRSFQY-CYBMUJFWSA-N 380.404 2.838 0 40 GFAB COc1cc(CC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)cc(OC)c1OC 12143288 VJDGFXPEAUXSSW-ZWKOTPCHSA-N 385.460 2.632 0 40 GFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCCN(C(C)=O)C1 12157259 PVULUUZFHBISCV-FXAWDEMLSA-N 376.428 2.901 0 40 GFAB COc1ccc(CC(=O)N2CCC(n3nc(-c4ccoc4C)oc3=O)CC2)cc1 12182921 DTPFEYVGTADUEO-UHFFFAOYSA-N 397.431 2.820 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 12203742 BBJZACQAJAKYRJ-HNAYVOBHSA-N 388.851 2.791 0 40 GFAB Cc1ccccc1C1(O)CCN(C(=O)COc2ncnc3ccccc23)CC1 12290296 GAMQIMKYZJTWJI-UHFFFAOYSA-N 377.444 2.827 0 40 GFAB CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccccc1 16084666 LCCFKXBHDIKGNY-UHFFFAOYSA-N 383.267 2.708 0 40 GFAB CC(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19085822 DYGTWNBBIUXBIN-QHCPKHFHSA-N 395.503 2.633 0 40 GFAB Cc1cc2c(o1)c1cnn(CC(=O)N[C@H](C)CCc3ccco3)c(=O)c1n2C 19125937 GGLUCUNGRCQYHX-GFCCVEGCSA-N 382.420 2.520 0 40 GFAB COc1ccccc1C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 19583261 QBWKIRRXOWIIEI-MRXNPFEDSA-N 393.491 2.631 0 40 GFAB CN1C(=O)COc2ccc(C(=O)Nc3nnc(CCc4ccccc4)s3)cc21 19658508 OMOZRLJIUVRJIV-UHFFFAOYSA-N 394.456 2.931 0 40 GFAB O=C(C[C@H]1CCCO1)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 19708318 RRRJWUPIRJCZLD-LJQANCHMSA-N 385.508 2.983 0 40 GFAB Cn1nc2c(c1C(=O)N1CCCC[C@H]1CCNC(=O)C1CCCC1)CCCC2 19746252 ONKBJJRBAKZBHO-KRWDZBQOSA-N 386.540 2.990 0 40 GFAB COc1ccccc1CCNC(=O)C1CCN(c2cc(C3CC3)ncn2)CC1 206654038 BDNNMDZEPBLIJK-UHFFFAOYSA-N 380.492 2.938 0 40 GFAB COc1ccc(C(=O)Oc2c(Br)cc(C(N)=O)cc2OC)cc1 226306024 UTZCSNOBOYVFPE-UHFFFAOYSA-N 380.194 2.784 0 40 GFAB Cc1cccc2sc(N3CCN([C@H]4CCN(CC(F)(F)F)C4=O)CC3)nc12 1888876349 KYJRCFALMSVOOE-ZDUSSCGKSA-N 398.454 2.890 0 40 GFAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2cccc3ccccc23)CC1 14094100 OYJOMHKYRYOHKA-KRWDZBQOSA-N 391.471 2.896 0 40 GFAB Cn1ccnc1[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1F 29322244 PLAIHSLPNOKMCZ-IFXJQAMLSA-N 396.422 2.788 0 40 GFAB CCc1cnc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)nc1 1775995672 DMODNPWCCWUINH-CYBMUJFWSA-N 378.274 2.887 0 40 GFAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCCc1ccccc1 4327759 LBFRAXXGCVLMIN-UHFFFAOYSA-N 390.472 2.637 0 40 GFAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccncc2)CSC3)cc1 5381093 OHMHNGMGCRPHID-UHFFFAOYSA-N 393.472 2.577 0 40 GFAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)c1ccc(C(F)(F)F)cc1 11744531 CXQMIBVLXTWWBA-UHFFFAOYSA-N 388.349 2.754 0 40 GFAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2ccccc2Cl)CC1 2055747266 RCILMVZYRLBAMV-UHFFFAOYSA-N 375.904 2.608 0 40 GFAB COc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 21919560 PUMOHBGAFGCNGB-SFHVURJKSA-N 388.439 2.646 0 40 GFAB O=S(=O)(CCc1ccccc1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974102 BJVSYDZRHGFWBQ-UHFFFAOYSA-N 386.395 2.736 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccco1)C1CCOCC1 206672432 HUJYVGGOKIROHK-UHFFFAOYSA-N 377.462 2.651 0 40 GFAB COc1ccccc1-c1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)n[nH]1 38488972 ZDFDVEFAMACWCU-UHFFFAOYSA-N 386.433 2.709 0 40 GFAB Cc1cccc(NC(=O)C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)c1C 575612103 KGSRZZDFCBZNAP-QHCPKHFHSA-N 396.487 2.673 0 40 GFAB Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)c(=O)[nH]1 19134605 DTHZJEHMSNGRNA-ZCNNSNEGSA-N 383.467 2.963 0 40 GFAB Cc1ccc(C)c(Nc2nc(NCCN3CCOCC3)nc3nccnc23)c1 22735948 RBLCQAGGTRVKDW-UHFFFAOYSA-N 379.468 2.524 0 40 GFAB CCOc1ccc2c(c1)s/c(=N\C(=O)Cc1ccccc1)n2CC(=O)OC 100877149 AXJBUPQORWGPCN-MRCUWXFGSA-N 384.457 2.945 0 40 GFAB CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1OC(F)F 40090596 HZWUWIGNTWRCHU-JSGCOSHPSA-N 390.452 2.527 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCN(C(=O)c2cccs2)CC1 40051421 SNXYIBBRLSBUHA-UHFFFAOYSA-N 379.463 2.586 0 40 GFAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1nccs1 40286232 YQCSZPKQAJWXQS-UHFFFAOYSA-N 378.885 2.864 0 40 GFAB O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 100412310 KTRZKIFPGSCOJO-XBGMYJNYSA-N 393.462 2.789 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cccc(N2CCCC2=O)c1 29233859 GUOMPQVFPZZQMF-UHFFFAOYSA-N 395.459 2.923 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)c1cccc(CN2CCCC2=O)c1 8024694 SWZJXHGYWZHTHX-UHFFFAOYSA-N 379.460 2.740 0 40 GFAB Cn1c(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n(C)c1=S 20759557 LPOLPJTVKPSURU-AWEZNQCLSA-N 376.869 2.529 0 40 GFAB biogenic O=C(NCc1ccccc1CN1CCOCC1)N1CCN(c2ccccc2)CC1 29658278 DEXBYBPWWUZDIO-UHFFFAOYSA-N 394.519 2.551 0 40 GFAB CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)S[C@@H](C)C2 4107937 HUXHYLSUQLQVBN-LBPRGKRZSA-N 375.519 2.708 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c1 4488713 AOWIXFQNVGMGPM-JFBPSJKJSA-N 377.437 2.638 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 32781552 JZIPNEKFKBHTSP-NRFANRHFSA-N 391.471 2.640 0 40 GFAB Cc1cc(C)c2cc3c(N)c(C(=O)Nc4c(C)[nH]c(=O)[nH]c4=O)sc3nc2c1 4848769 AFXKEZWXXFZJDL-UHFFFAOYSA-N 395.444 2.586 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 7070316 ZOLNFGCISMPLIQ-GFCCVEGCSA-N 376.906 2.568 0 40 GFAB O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1csnn1 11914754 PUWKTEJOHQLSEU-JTQLQIEISA-N 392.506 2.640 0 40 GFAB C[C@@]1(N2C(=O)O[C@@H](c3ccccc3)C2=O)C(=O)N2CCS[C@]21c1ccccc1 8299005 QCLLWNBOOXMMAP-DQLDELGASA-N 394.452 2.907 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 32909325 YRXMEDKBIAHNHL-YLJYHZDGSA-N 396.443 2.716 0 40 GFAB CCOCCCNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 21777428 XPYWVEINWCVWSL-LBPRGKRZSA-N 383.539 2.766 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 20490621 YWVVBIYWUSEROY-HNNXBMFYSA-N 381.432 2.899 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccc(F)c(F)c1 33028249 GLYYJRRTMDVTPJ-GHMZBOCLSA-N 386.395 2.648 0 40 GFAB COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(OC)cc1 9159037 BGXWCSUXKMDWNB-UHFFFAOYSA-N 382.416 2.725 0 40 GFAB COc1ccc(/C=c2\sc3nnc(-c4cccc(C)c4)n3c2=O)c(OC)c1 9189352 DPLBXYGLHSZJCR-YVLHZVERSA-N 379.441 2.691 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2Cc1cccc(F)c1 100738289 IFABXGHSNJZFHP-RTBURBONSA-N 383.467 2.818 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3Cl)c(=O)c2=O)cc1 22724071 IEVFWKIDVWTARX-UHFFFAOYSA-N 399.834 2.690 0 40 GFAB CC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22805724 FISZUNYOGGSVGD-UHFFFAOYSA-N 393.487 2.580 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)NCc1ccccc1CN1CCOCC1 23718852 FEJFWOJUQSVNGR-UHFFFAOYSA-N 380.488 2.703 0 40 GFAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 24097366 RQZJUMZTLCOXGT-KRWDZBQOSA-N 399.564 2.830 0 40 GFAB COc1ccc(NC(=O)COc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 12408273 AYDSJGWJNBCPLF-UHFFFAOYSA-N 395.444 2.854 0 40 GFAB CC[C@H](C)NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 107828848 QKENZMIAIVCORO-INIZCTEOSA-N 390.505 2.946 0 40 GFAB Cc1cccc(CN2CCN([C@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c1 22095503 VYOSTDGKJLIISG-LJQANCHMSA-N 383.511 2.999 0 40 GFAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)Cc2ccc(Cl)cc2)CC1 47556357 PBADKLYZHLTEON-UHFFFAOYSA-N 395.931 2.942 0 40 GFAB O=C(COc1ccccc1)NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1 61719672 PBSXVAFIJGJHIK-UHFFFAOYSA-N 377.444 2.968 0 40 GFAB CC(C)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 100164253 CJFNYVWELBPKSN-KCESLBEFSA-N 398.478 2.902 0 40 GFAB Cc1c(NC(=O)CNCc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 57341685 SOXNZDISQCCSRZ-UHFFFAOYSA-N 384.867 2.866 0 40 GFAB CNC(=S)/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCCC1 101378544 MOMKWMUWLIKKGP-RGEXLXHISA-N 395.941 2.618 0 40 GFAB O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1ccccc1Cl 57507222 IGQOVUOPTWQWBG-UHFFFAOYSA-N 394.822 2.927 0 40 GFAB COc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(OC)c1OC 57993844 HSDSZYNPTZCOEP-UHFFFAOYSA-N 394.468 2.795 0 40 GFAB Cc1nn(C)c2sc(C(=O)Nc3c(-c4ccccc4)ncn3CC(N)=O)cc12 58305160 WJKPYYQIZOPHRN-UHFFFAOYSA-N 394.460 2.544 0 40 GFAB CCOC(=O)[C@@H]1[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)NC(C)C 2243950 QOIQZYGDBSSSQD-MCIONIFRSA-N 386.370 2.594 0 40 GFAB CN(CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)S(=O)(=O)c1ccc(F)cc1 36390431 ZFRDOOZVMDEQHL-BFYDXBDKSA-N 382.501 2.921 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 12605827 LFBSKWVIZFPLKF-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB CCOC(=O)c1cc(OCc2cc(=O)n3ccccc3n2)cc(C(=O)OCC)c1 10870374 GXXYKSNUBOQXOS-UHFFFAOYSA-N 396.399 2.627 0 40 GFAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c(OC)c1OC 2437636 GJFBMNNYJVDEOU-INIZCTEOSA-N 381.384 2.994 0 40 GFAB biogenic CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 3462193 OLZVHGPZGQFEQS-HNNXBMFYSA-N 398.440 2.772 0 40 GFAB O=C(OCC(=O)N1CCCCC1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3482533 HGXLZNDOJAIIPP-UHFFFAOYSA-N 392.411 2.657 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nc2c(F)cc(F)cc2s1 12907755 VBWVPHYGJMDAQQ-UHFFFAOYSA-N 394.403 2.768 0 40 GFAB COCCOC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@@H]1c1ccc(F)cc1 13097109 DMTJOZCNAQQJSC-FUHWJXTLSA-N 392.427 2.535 0 40 GFAB CN(Cc1ccccc1)C(=O)c1ccc2nc(NS(C)(=O)=O)sc2c1 13692012 BAIXVKPHQMOZST-UHFFFAOYSA-N 375.475 2.940 0 40 GFAB CCOc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)ccc1OC 5213307 PWFJDEFERGGKEK-UHFFFAOYSA-N 387.388 2.676 0 40 GFAB CCCCOc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O 6310750 UAMOJYHHQHAWSN-LGMDPLHJSA-N 378.457 2.940 0 40 GFAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@H]1c1cc(OC)c(OC)cc1OC 24274510 JTGDXCVDFFLXHL-KRWDZBQOSA-N 392.477 2.553 0 40 GFAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(N2CCOCC2)cc1 14218288 ZCYXYMGVCHYQSD-UHFFFAOYSA-N 377.444 2.979 0 40 GFAB CCOCCCn1c(S[C@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O 5570618 GSWZPDVHVFCPHP-LBPRGKRZSA-N 382.507 2.909 0 40 GFAB COc1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 6657809 BVKIELAQPVQGAV-KRWDZBQOSA-N 393.443 2.753 0 40 GFAB C[C@@H](NC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 5621516 QMWSIZGECAOZLR-GFCCVEGCSA-N 395.864 2.778 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(F)cccc1Cl 6948645 JCJUHUPUZDGSEW-UHFFFAOYSA-N 386.832 2.990 0 40 GFAB O=C1CSc2ccc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2N1 7006571 SEVAJSMTFCOFPC-UHFFFAOYSA-N 383.429 2.621 0 40 GFAB COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)ccc1NS(C)(=O)=O 83923447 XOSHQYWMBIJTCP-UONOGXRCSA-N 378.425 2.948 0 40 GFAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(CCN1CCOCC1)C3 96318487 CZLUFSKPKWCLNW-UHFFFAOYSA-N 392.455 2.944 0 40 GFAB biogenic COc1ccc(-c2noc(Cn3cc(-c4nc(C5CC5)no4)ccc3=O)n2)cc1 77200446 JMKOEZWFYPUQNE-UHFFFAOYSA-N 391.387 2.883 0 40 GFAB CCC[C@H](C)CS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 95399849 FCWVOWSRTAJTFB-FXAWDEMLSA-N 382.570 2.788 0 40 GFAB CCOC(=O)C[C@@H](OC(=O)CCc1nc[nH]n1)c1ccc(Br)cc1 95444254 OMDUPGXDUHFDLK-CYBMUJFWSA-N 396.241 2.738 0 40 GFAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1 67896948 AXQVTXSCSOFVRK-SJLPKXTDSA-N 392.814 2.622 0 40 GFAB biogenic,in-vitro COC(=O)c1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)cc1 85413029 UNXXQSFSJSRLQN-MAUKXSAKSA-N 380.352 2.646 0 40 GFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1Br 28323623 PQURYAUWRQTAEF-UHFFFAOYSA-N 386.267 2.815 0 40 GFAB Cc1cccc(C(=O)N2CCSCC2)c1NC(=O)N[C@H]1CCCC[C@H]1O 89688837 JQHJOQLLAWVDQQ-JKSUJKDBSA-N 377.510 2.609 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CC1(Cn3cnnn3)CCCCC1)CC2 79491609 KPERNDFBJGDHNN-UHFFFAOYSA-N 399.495 2.616 0 40 GFAB CCN(OC)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1558438094 QSQZRZHAMMWFIQ-UHFFFAOYSA-N 388.431 2.960 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2CCN(c3ncc(C)cn3)C[C@@H]2c2cnn(C)c2)cc1 306124029 BDKWKNVRIBFNJF-WOJBJXKFSA-N 390.491 2.619 0 40 GFAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 306125393 COUZUQDGJBPGEU-UHFFFAOYSA-N 385.487 2.784 0 40 GFAB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 408554444 RZYYIWXWAKYGBK-UHFFFAOYSA-N 383.301 2.538 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 1540327784 RSIRGVRLPMTRMW-UHFFFAOYSA-N 384.480 2.611 0 40 GFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 79191141 GRRRBCDZKYFAKC-QFBILLFUSA-N 382.368 2.963 0 40 GFAB biogenic CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 72362736 DYNNBEKJQAOJJH-KRWDZBQOSA-N 382.464 2.728 0 40 GFAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 72374753 PYTYOFPQAVCZSJ-QGZVFWFLSA-N 377.485 2.716 0 40 GFAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccc(Cl)c1 70933271 DNUUHTJHRCAVOH-UHFFFAOYSA-N 393.896 2.566 0 40 GFAB O=C(Cc1ccccc1)Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1 71003055 KEONHNVKRYIRQN-UHFFFAOYSA-N 390.447 2.516 0 40 GFAB O=C(NC1CCN(c2ccccn2)CC1)N1Cc2cnn(-c3ccccc3)c2C1 563511053 HLDQJSFVJZBJML-UHFFFAOYSA-N 388.475 2.962 0 40 GFAB CN1CCN(c2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccn2)CC1 48374570 LWWXANFJXUSYMM-UHFFFAOYSA-N 383.883 2.898 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)c1 220178242 OWUCMPHVPCUUGH-INIZCTEOSA-N 390.505 2.599 0 40 GFAB CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 226056542 FXMXPVGYFQHABC-UHFFFAOYSA-N 380.441 2.508 0 40 GFAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 223731103 BOLOHBRITFXRSQ-UHFFFAOYSA-N 398.868 2.526 0 40 GFAB COc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 226020589 ZEKDWXKOMANGDA-UHFFFAOYSA-N 382.869 2.632 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)c(Cl)c2)cc1OC 224806047 NNMCLWXSUGXEMA-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB CCOc1cc2c(cc1NC(=O)CN1C(=O)[C@@H]3CCCC[C@H]3C1=O)O[C@@H](C)C2 195542904 KYBRWCWEMQBWAY-NWANDNLSSA-N 386.448 2.522 0 40 GFAB O=C(c1cc2c(nc1NCC1CC1)CCN(c1ncccn1)CC2)N1CCCC1 96260612 FIUBVWHYQHZFJB-UHFFFAOYSA-N 392.507 2.535 0 40 GFAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(Cc4ccc(C)s4)C3)C2)nn1 96240540 WTKUHAUXRWMBPI-XLIONFOSSA-N 388.537 2.875 0 40 GFAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CCN[C@@H](c2ccccc2Cl)C1 585080107 ITYPJOKNEMZQNH-GOSISDBHSA-N 397.862 2.930 0 40 GFAB O=C1C[C@@H](CNc2ccc(I)cc2C(F)(F)F)CN1 585138497 WOEHILQQBVVHGS-ZETCQYMHSA-N 384.139 2.858 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCCN2CCC(F)(F)CC2)[C@H]1c1cccc(C)c1 585138790 YFDZWGSKPAQGTM-IEBWSBKVSA-N 393.478 2.752 0 40 GFAB Cn1ccnc1CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 604383254 QFWLLFMMQVVXQV-QNWVGRARSA-N 396.535 2.793 0 40 GFAB biogenic,in-vitro COCC(=O)N1CCC2(CC1)C[C@H](Cc1cccc(F)c1)N(CC(C)C)C2=O 257278727 ODKDRCAMBLTZFE-IBGZPJMESA-N 390.499 2.880 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(F)c1 591814685 ANSBUMRMHVYGSR-OAHLLOKOSA-N 376.375 2.824 0 40 GFAB COC(=O)c1c[nH]c2cc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@H](CN)C3)ccc12 599607481 QHPWCGZBGSXEJG-QMTHXVAHSA-N 398.385 2.946 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1C 390831925 WAKIACJMJVASQI-IBGZPJMESA-N 393.530 2.854 0 40 GFAB CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585172760 JYMUQQWBQXQDEW-NRFANRHFSA-N 393.531 2.942 0 40 GFAB C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@@H](c2ccccc2)O1 67556287 CPZUIOYDIPUXGH-APWZRJJASA-N 390.443 2.799 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 5042844 DMYYZKNHMTYMIT-UHFFFAOYSA-N 396.534 2.712 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3)n2)c(C)o1 12183767 CAEWLFKJZIBIJJ-CQSZACIVSA-N 380.448 2.622 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ncccn1 12374366 APRCMYNCCDBUHQ-UHFFFAOYSA-N 389.444 2.850 0 40 GFAB COc1cccc(N2CCN(c3nc(-c4ccc(F)cc4)cc(=O)[nH]3)CC2)c1 14606946 QAMJIZDDHLPMKX-UHFFFAOYSA-N 380.423 2.911 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(OC)c1 17080092 VERLYCACTPXIIP-MRXNPFEDSA-N 392.411 2.794 0 40 GFAB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(-n2ccnc2)cc1 19079194 JNBZBMSTADEMRV-GFCCVEGCSA-N 385.474 2.917 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 19572899 IWZCHNXLAKDKNH-YLJYHZDGSA-N 396.539 2.983 0 40 GFAB COCC(=O)N[C@@H](Cc1ccccc1)c1cc(N(C)C)nc(-c2cccnc2)n1 19584340 QTOHNTCWXUKUQM-SFHVURJKSA-N 391.475 2.651 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 19590293 BWEZXMVFJAXVPZ-FQEVSTJZSA-N 380.492 2.769 0 40 GFAB c1ccc2[nH]c(C[C@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 19657873 RDBMPZKJVUTKEL-QGZVFWFLSA-N 392.507 2.644 0 40 GFAB CS(=O)(=O)N1CCN(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)C1=O 206882167 IKHWFBSKFCBCKS-AWEZNQCLSA-N 399.900 2.727 0 40 GFAB COc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1O 12337364 PBJYUJKEDGEEKU-UHFFFAOYSA-N 381.436 2.929 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cccs4)C[C@H]32)c(OC)n1 247904103 WSBXVIBJOGEHFY-URKNILKWSA-N 375.494 2.675 0 40 GFAB CSc1nc(C)c(C)c(N2CCN(c3nc(C)nc4cnccc34)CC2)n1 1888897848 KUFGEKCBSRLMAE-UHFFFAOYSA-N 381.509 2.789 0 40 GFAB Cc1nc2ccccc2nc1N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888913339 QSHPRYRPHGBAHV-UHFFFAOYSA-N 380.427 2.777 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)Cc1ccccc1Cl 238966803 ZAOWJUJWHPVYDU-IBGZPJMESA-N 395.908 2.992 0 40 GFAB O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223457 MQEDIFQWLPHWTL-DDNHJUOSSA-N 382.508 2.649 0 40 GFAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n12 4250312 AMLTZHPLIOBMDY-UHFFFAOYSA-N 377.857 2.754 0 40 GFAB Cc1ccc(-n2c(C(C)(C)C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C 7425481 HTHHIPHRNXDWKR-UHFFFAOYSA-N 379.464 2.590 0 40 GFAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(F)cc3F)OC2=O)cc1 9136785 LHQVSPSLABOHSZ-AWEZNQCLSA-N 382.388 2.577 0 40 GFAB COc1ccc(S(=O)(=O)NCCOc2ccc(-c3cccs3)nn2)cc1 9853598 RSAXSEDKAHRRJO-UHFFFAOYSA-N 391.474 2.571 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773061 QIJHGIUBFUACEV-UHFFFAOYSA-N 386.883 2.694 0 40 GFAB COC(=O)C1CCN(C(=O)Cc2csc(Nc3ccc(F)cc3)n2)CC1 23136602 RNQJGJYDUBAKQE-UHFFFAOYSA-N 377.441 2.980 0 40 GFAB Cc1cccn2cc(CNS(=O)(=O)c3ccc(Br)cc3)nc12 2961048 PVIGONMJMSCFAH-UHFFFAOYSA-N 380.267 2.884 0 40 GFAB O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N[C@H]1COc2ccccc21 104793354 NDXJNBIEVLGUAW-FQEVSTJZSA-N 381.476 2.576 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)n2ccnc2)cc1S(=O)(=O)N1CCCCCC1 40145300 PKXBXXDNRGZGPI-INIZCTEOSA-N 390.509 2.956 0 40 GFAB COC(=O)C1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 40286716 GESIGLNPMBRLRW-UHFFFAOYSA-N 379.254 2.815 0 40 GFAB Cc1nc(-c2ccc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cs1 100796400 JZMUKHJXLMDABB-LSOMNZGLSA-N 393.468 2.864 0 40 GFAB Cc1cc2ncn(C[C@H](O)CN3C(=O)NC4(CCCCCC4)C3=O)c2cc1C 51256870 GUXPGDIIAJRNEB-INIZCTEOSA-N 384.480 2.659 0 40 GFAB COc1cc(NC(=O)[C@@H](C)NC(=O)c2cccs2)ccc1N1CCCC1=O 11447345 ZQWIVGPXPJPTLP-GFCCVEGCSA-N 387.461 2.641 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccccc3OCC)c(=O)c12 7552948 UAEZAWZQVOOSAA-UHFFFAOYSA-N 399.403 2.512 0 40 GFAB O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CC[C@H](N2CC=CC2)C1 101277894 VWQFFCVTAAFTNP-MOPGFXCFSA-N 375.472 2.665 0 40 GFAB Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccco2)cc1 905343 MWUNBUOWEFYOKT-UHFFFAOYSA-N 384.461 2.787 0 40 GFAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 909102 RUVFDGOFCYCCJZ-DAYGRLMNSA-N 394.349 2.799 0 40 GFAB NC(=O)[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 11809210 GISQCIHPRZYWNQ-CRAIPNDOSA-N 395.484 2.894 0 40 GFAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32102074 HTGKQKRUUXGHES-CQSZACIVSA-N 393.403 2.890 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]23)cc1OC 101316451 UGZPMZDMNOZRFU-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCC(Cc2ccccc2)CC1 1332553 FCBVXEKOXKDPOE-UHFFFAOYSA-N 377.444 2.985 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1cc(Br)ccc1-n1cncn1 51987252 LFEMVIJDBUWASP-UHFFFAOYSA-N 376.214 2.816 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O 2623071 WAFWVUZFOZVMOJ-UHFFFAOYSA-N 399.472 2.782 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 4026301 CDMVQQAHEQVSMF-NNNAONFXSA-N 390.520 2.577 0 40 GFAB biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)cc1 41156627 ZVJGPMIYYJYIEP-KRWDZBQOSA-N 394.537 2.745 0 40 GFAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCC(N)=O 7538425 BNFWOOGNRNPXDK-UHFFFAOYSA-N 378.856 2.901 0 40 GFAB O=C(CNc1ccc(Br)cc1)NC(=O)NCCc1cccs1 17283342 YQTUFAKBXPTSCK-UHFFFAOYSA-N 382.283 2.991 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCSc2ccc(Cl)cc2)C1 58045383 HOPDTOFYPQARES-ZDUSSCGKSA-N 390.958 2.610 0 40 GFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(C)=O)[C@@H]2C1=O 8992990 FMMIIWJTGVIPNO-PROFGDRKSA-N 389.455 2.808 0 40 GFAB Cc1nc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)sc1C 11997169 WJPGMPJMMXITMY-LBPRGKRZSA-N 382.511 2.692 0 40 GFAB CCN(CC)c1ccc(NC(=O)Cc2csc(NS(C)(=O)=O)n2)cc1 58210943 DMMAUMQALPKXDZ-UHFFFAOYSA-N 382.511 2.542 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 915111 UVQRIPDTBBUCDQ-ZOWXZIJZSA-N 388.342 2.991 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)n2c1nc1ccccc12 23411143 LSFKHECDKNDSSI-QGZVFWFLSA-N 394.431 2.608 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(N2CCCC2=O)cc1 23761943 SQCOPPGSVJTLSP-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 12374072 ZCKPMCAMMRBROU-OAHLLOKOSA-N 381.480 2.649 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCc3cc(C(F)(F)F)ccc32)C1 24473150 PMUKFYKGAWKAGG-CYBMUJFWSA-N 390.427 2.656 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCOCC2)cc1 24648257 HNJOGYWLFUZQLF-UHFFFAOYSA-N 388.489 2.872 0 40 GFAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CCOCC1 26225145 QTEBZJPWSDHLQX-GFCCVEGCSA-N 378.523 2.605 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1 12560316 PBKAFLLVRGDKJD-SFHVURJKSA-N 382.851 2.709 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 57526045 VSWVXTKLJSQHPW-UHFFFAOYSA-N 397.450 2.665 0 40 GFAB CN(C)CCN(C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 58168053 YLFVNEWNXKTPQK-UHFFFAOYSA-N 383.536 2.914 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 58161290 STCMQSNIKJBFMS-QGZVFWFLSA-N 395.503 2.725 0 40 GFAB CCCCN(C(=O)c1cc(C)cc(C)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 7795928 ZTRSZPXGCPJGQC-UHFFFAOYSA-N 386.496 2.983 0 40 GFAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2cccc(Br)c2)c1 58368570 OOQKEEUBEPVJRK-UHFFFAOYSA-N 386.223 2.962 0 40 GFAB O=C(NCCc1ccc(Br)s1)c1cnc2sccn2c1=O 10502561 VJNUKSOHBPMJNN-UHFFFAOYSA-N 384.280 2.553 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)cc1 3272618 GBHZZTKYCRAJHP-UHFFFAOYSA-N 380.356 2.547 0 40 GFAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccccc1OC(F)(F)F 10850615 YBUOCPDCSFBRNO-UHFFFAOYSA-N 387.383 2.889 0 40 GFAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 12600918 GVEJGFFRJKGUGF-UHFFFAOYSA-N 388.449 2.515 0 40 GFAB CCCn1c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc2ccccc21 12699923 MTXWGQKPFHMGDA-GJZGRUSLSA-N 380.448 2.726 0 40 GFAB C[C@@]1(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1(Cl)Cl 22687622 IZFFZRYRLZPAAE-HOCLYGCPSA-N 375.271 2.899 0 40 GFAB O=C(COC(=O)CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1 7814103 YXQLGTSRSIFLTE-UHFFFAOYSA-N 399.827 2.825 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)COc2cccc3c2OC(C)(C)C3)cc1 7846065 QBJWXKGUCFCBTA-UHFFFAOYSA-N 382.460 2.797 0 40 GFAB COc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 22327759 PNXGUNMPXTVINC-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 3564286 WBUCSRPKOIYLPN-UHFFFAOYSA-N 386.470 2.657 0 40 GFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3610598 AISDNAZTKQVTCC-NRFANRHFSA-N 377.400 2.516 0 40 GFAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 13001112 LNODZUSWMMORFJ-LLVKDONJSA-N 380.416 2.897 0 40 GFAB COc1ccc(-c2nc(C(=O)N3CCC(C(=O)O)CC3)cs2)cc1OC 13425673 UQWBVZTZLMNLPR-UHFFFAOYSA-N 376.434 2.764 0 40 GFAB NS(=O)(=O)c1cccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1 63915489 SKACYRDBSFJPKI-UHFFFAOYSA-N 395.893 2.974 0 40 GFAB CN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)[C@H]1CCS(=O)(=O)C1 49581242 CTRVWEDMJVQDHA-KRWDZBQOSA-N 382.485 2.949 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261681 QJAZFGRAUQLZIN-HOCLYGCPSA-N 397.566 2.653 0 40 GFAB C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc(N)nc(N(C)C)n1 14160110 AHHGSAXYKVJXRU-LLVKDONJSA-N 380.452 2.798 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1cccc2ccccc12 8325458 BZHYUZVNTCUBRH-HOCLYGCPSA-N 397.504 2.975 0 40 GFAB CCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O 14823106 OUBRVXFPXWRTJH-UHFFFAOYSA-N 392.525 2.908 0 40 GFAB Cc1ccc(OCC(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)cc1C 4860213 KWBOXNVFUSLSED-GOSISDBHSA-N 393.365 2.965 0 40 GFAB COc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 15327778 YULAUTOAJYXVAR-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB CN(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccc2c(c1)OCCO2 15552637 ZJYBFFZUSRJPHF-UHFFFAOYSA-N 376.390 2.527 0 40 GFAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7409053 HLFWLLDYGGGJFS-UHFFFAOYSA-N 394.518 2.889 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 8708105 PSEKRTAOAQOFPQ-OAHLLOKOSA-N 389.477 2.712 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c1C 9335750 OOEMQSSWAKYQOQ-UHFFFAOYSA-N 389.427 2.701 0 40 GFAB O=C(NCCCN1CCOCC1)c1csc(Nc2ccccc2Cl)n1 19809820 NAGIREZHSOKPSM-UHFFFAOYSA-N 380.901 2.992 0 40 GFAB C[C@@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 97102678 DRAJZGYLUVQRGO-KDOFPFPSSA-N 384.480 2.671 0 40 GFAB C[C@H]1c2cccn2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 78878079 ZTWTXMWBYSNAIB-JKSUJKDBSA-N 377.485 2.807 0 40 GFAB CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CCS(=O)(=O)C(C)C 95432471 BQXXREGSJQSKGO-YLJYHZDGSA-N 381.586 2.746 0 40 GFAB C[C@H]1CN(C(=O)Nc2nnc(-c3nccn3C)s2)C[C@@H](c2ccccc2)O1 95446359 MIFYWAXBGOGVMY-JSGCOSHPSA-N 384.465 2.933 0 40 GFAB O=C(COC(=O)c1cncc(Br)c1)NCC1(c2ccccc2)CC1 22665836 JQCWWFDDPKFMIX-UHFFFAOYSA-N 389.249 2.849 0 40 GFAB CN1CCC(CNc2cc(C(F)(F)F)nc3ncnn23)(N2CCCCC2)CC1 95962009 MYYLZZXSFKGYAS-UHFFFAOYSA-N 397.449 2.505 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCCCCC1 408586602 AQOANBKDINAOFI-INIZCTEOSA-N 381.498 2.552 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)n2C)cc1 89642575 XNRIGYINPDVNQV-UHFFFAOYSA-N 393.472 2.868 0 40 GFAB CCOC(=O)C1=C(C)N=C(SCC(=O)OC)N[C@H]1c1ccccc1OCC 408991316 QDRQAFNYFBOOES-KRWDZBQOSA-N 392.477 2.829 0 40 GFAB CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 505300733 YKYRFOYAKNZIHM-IBGZPJMESA-N 382.391 2.968 0 40 GFAB O=C(Cn1ccc2ccccc21)NCCSCc1nc2ccccc2c(=O)[nH]1 35686385 QGMXWSAHJZEUPY-UHFFFAOYSA-N 392.484 2.927 0 40 GFAB CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(OC)cc1 39985903 RBGDOMACWWIYRM-UHFFFAOYSA-N 382.526 2.935 0 40 GFAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 33732831 FPMWUBPQEPSLBJ-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB COCCOc1cc(CN2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)ccc1OC 72343315 LHTSPDYUIIYRMI-WIYYLYMNSA-N 382.460 2.955 0 40 GFAB CS(=O)(=O)N[C@@H](CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1 225950170 HAJUAEUOWRVIDI-KRWDZBQOSA-N 380.897 2.679 0 40 GFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccnc1 223567935 FAADBLWZXRWRGC-VQTJNVASSA-N 393.516 2.849 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 220157739 LFQYRBGLJXUYGY-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21 225689551 PQHRKPIEKAYRID-UHFFFAOYSA-N 398.531 2.888 0 40 GFAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-n1cnnc1 222819471 JHBQNIQJVCRZFJ-MSOLQXFVSA-N 381.509 2.784 0 40 GFAB O=C(CN1CN(c2ccccc2)c2ncccc2S1(=O)=O)Nc1ccccc1 49411390 YUAVKYLQIRIVGD-UHFFFAOYSA-N 394.456 2.820 0 40 GFAB CC(C)CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@@H]2C)n1 225891532 XKTPOMUTIQXHAE-HNNXBMFYSA-N 392.573 2.634 0 40 GFAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cnc2[nH]c(O)nc2c1 578050130 NOBXJLLFJFYXRE-MRXNPFEDSA-N 385.855 2.884 0 40 GFAB Cc1cccc(N2C[C@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)CC2=O)c1 96238546 LKIIXKXRZVGLCI-HXUWFJFHSA-N 388.464 2.952 0 40 GFAB CCN(C(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@H]21)C1CCN(C)CC1 248147677 SJTCBZRVBOIBSN-UOAUAQBLSA-N 382.504 2.989 0 40 GFAB CC(=O)N1CC[C@@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)C1 257307269 SXYHCSOSLGBLRQ-GFCCVEGCSA-N 399.838 2.676 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)c(C)c1 253397621 FVBSSHNQUFHZGF-QGZVFWFLSA-N 396.534 2.665 0 40 GFAB CCOc1ccc([C@H]2[C@H](C(=O)NCC(C)(C)CO)CCC(=O)N2CC)cc1 257219673 DHQDDKBYGAYNME-MJGOQNOKSA-N 376.497 2.520 0 40 GFAB COCCN1C(=O)C[C@H](CNc2nccc3ccsc23)[C@H]1c1cnn(C)c1C 1615592820 VIJZWKLAEIMSPW-QAPCUYQASA-N 399.520 2.986 0 40 GFAB COc1cc(Br)c(C[S@@](=O)Cc2cc(C)n(C)n2)cc1OC 610856478 MYRHRKIKHBFRJA-JOCHJYFZSA-N 387.299 2.957 0 40 GFAB CN(C)CCn1cc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cn1 631934357 YISCOSXYFFSRTP-UHFFFAOYSA-N 399.322 2.776 0 40 GFAB COc1cccc2[nH]cc(CC(=O)Nc3cc(N4CCN(C)CC4)ccn3)c12 634193953 OWDWRNXWWTYROW-UHFFFAOYSA-N 379.464 2.505 0 40 GFAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1C 657193255 NVSWDGDHQAFJRN-LPHOPBHVSA-N 380.510 2.923 0 40 GFAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)NCc1ccccc1 96096665 LOQIPHPJKRJYEC-UHFFFAOYSA-N 383.477 2.608 0 40 GFAB O=C(O)CN1CCCC[C@@H](N2CCC[C@H](COc3ccccc3Cl)C2)C1=O 643876032 ISXCBILWZPHAPD-DOTOQJQBSA-N 394.899 2.897 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)N2CCC(CN3CCCC3)CC2)CC1=O 49073125 NFJSZEHUXVXRNI-IBGZPJMESA-N 399.535 2.773 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 5934333 PIQMDWRRGGBYFY-INIZCTEOSA-N 396.443 2.847 0 40 GFAB Cc1nn(CC(=O)N2c3ccccc3C[C@H]2C)c(=O)c2cc3ccsc3n12 12114237 KBLJFHJODDWCGC-GFCCVEGCSA-N 378.457 2.997 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12198645 RXUXIRAXYYVFCP-UHFFFAOYSA-N 388.445 2.791 0 40 GFAB Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O 13677415 IYMNXFNTETZFNP-UHFFFAOYSA-N 395.912 2.906 0 40 GFAB CC[C@H](C(=O)NCCCOC(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712562 MACQRFWAIVZNMC-MRXNPFEDSA-N 390.933 2.816 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c1C 15482964 BKYMBFRZEXBJPO-ZDUSSCGKSA-N 395.912 2.894 0 40 GFAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccnc(N3CCCC3)n2)CC1 19021164 YCURZKSNNLFZAA-UHFFFAOYSA-N 397.498 2.843 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)CC[C@@H]3CCCO3)CC1)O2 19219148 KPQZZZQPXKNOKG-JQHMZKTJSA-N 386.492 2.874 0 40 GFAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COC)nc(C2CC2)n1 19592098 STBXBFXUSBWZOU-KRWDZBQOSA-N 379.464 2.923 0 40 GFAB CN(Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1)C(=O)CCc1ccccc1 19710010 AQYPXIIIIZRVPU-SFHVURJKSA-N 381.524 2.601 0 40 GFAB CN(Cc1ccc2c(c1)NC(=O)CO2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 509099476 XPSBDAJLEAHOSO-HNNXBMFYSA-N 392.864 2.631 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N4CCN(C(C)(C)CO)CC4)ccc32)c1 613036887 JTHAZTUMWRYCMV-UHFFFAOYSA-N 392.503 2.863 0 40 GFAB O=C(N[C@H](C(=O)O)c1ccccc1Br)c1cnn2c1CCCC2 659190613 OYZYIKBQYDWKGF-AWEZNQCLSA-N 378.226 2.538 0 40 GFAB Cc1ccc(C)c(OC2CCN(C(=O)[C@H](C)n3cnc4c(N)ncnc43)CC2)c1 667100529 ZODJJTPJLNDMKA-HNNXBMFYSA-N 394.479 2.656 0 40 GFAB Cc1cc(N2CCN(c3nc(C(C)(C)C)nc(C)c3F)CC2)n2nccc2n1 1888897699 KXJKOMYBVNUJMO-UHFFFAOYSA-N 383.475 2.899 0 40 GFAB FC(F)(F)c1cccnc1N1CCN(c2ccnc(N3CCCC3)n2)CC1 1143602693 ORTSZXDYVNDKSR-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 4033825 CMRINGUSXBZDAF-UHFFFAOYSA-N 389.770 2.579 0 40 GFAB CCOC(=O)c1ccsc1NC(=O)CCS(=O)(=O)Cc1ccccc1 10620770 QSHSSGIFWAXLRF-UHFFFAOYSA-N 381.475 2.868 0 40 GFAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC4(CC(c5ccccc5)C4)C3)cc21 1775970083 AJHSXJAXFOWUSE-UHFFFAOYSA-N 384.457 2.700 0 40 GFAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20566470 YIZUOLVMYWCJPS-UHFFFAOYSA-N 381.407 2.994 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2ccc(F)c(Cl)c2)c1 7957199 LTRWSUBHLBCJHE-UHFFFAOYSA-N 385.848 2.780 0 40 GFAB O=C1CSc2ccc(C(=O)NCCc3cnn(-c4ccccc4)c3)cc2N1 11531305 VUGHOYAOAPJZQQ-UHFFFAOYSA-N 378.457 2.889 0 40 GFAB COc1cc(NCc2nnc3n(C)c(=O)c4ccccc4n23)c(OC)cc1Cl 11617863 NMYWWJKUNLRVSB-UHFFFAOYSA-N 399.838 2.864 0 40 GFAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCN(c2ccccc2)CC1 101407716 ODMGFCASISCKCA-UHFFFAOYSA-N 383.492 2.654 0 40 GFAB CC(C)[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC(N)=O 6080712 UNEARSQMYCGNGA-MRVPVSSYSA-N 395.794 2.713 0 40 GFAB CC(=O)N(c1nc(CSc2nnc(C)n2N)cs1)c1ccccc1F 8139841 BXKUPPISIIRINO-UHFFFAOYSA-N 378.458 2.873 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 102219828 UVTIJLMNERWMCM-LTIDMASMSA-N 375.513 2.962 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 7778342 NPBSSXPEICWBFX-MAUKXSAKSA-N 389.540 2.769 0 40 GFAB COC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881379 WMEHTSDRVNPEAB-WMLDXEAASA-N 395.411 2.641 0 40 GFAB C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C[C@@H](C)O1 32824483 BOKJZJXSRVRLER-HZPDHXFCSA-N 382.460 2.955 0 40 GFAB COCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 10326435 OVBQDCCBSXZOLS-OAHLLOKOSA-N 388.489 2.511 0 40 GFAB CCCN(Cc1ccc(C)cc1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32908337 FRMNIVAYRGQQCX-UHFFFAOYSA-N 392.459 2.781 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3F)cc2c1 8582718 AECJFHHQSIRMIY-UHFFFAOYSA-N 384.407 2.701 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O 8110936 VUHNIZMCAGMNJX-UHFFFAOYSA-N 395.289 2.750 0 40 GFAB COc1ccc(CN(C(=O)CCc2c(C)nc3ncnn3c2C)C2CC2)cc1 8164989 GUYZKSBFLIRDIB-UHFFFAOYSA-N 379.464 2.874 0 40 GFAB Cc1cc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)ccc1N1CCCC1=O 103022492 PSMNDKCYEDTYFV-GOSISDBHSA-N 377.444 2.861 0 40 GFAB CC(=O)c1cc(CCC(=O)OCC(=O)N2CCc3sccc3C2)oc1C 22102308 ZEGXJVDNKRDHHZ-UHFFFAOYSA-N 375.446 2.913 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1C 645288 HRZVTRWMOFWIFB-UHFFFAOYSA-N 382.869 2.930 0 40 GFAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccncc4)n3C)cc21 103433655 LYHWJZLOQDMNIT-NSHDSACASA-N 379.445 2.908 0 40 GFAB Cc1ccc(N(C)S(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c(C)c1 53669623 ZWFVQAFRZMVJAF-UHFFFAOYSA-N 377.418 2.598 0 40 GFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 101692682 ADPSEXHWASRMNB-OGWOLHLISA-N 394.512 2.672 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)NCCNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 12461714 YBPKSDNJHMMWQW-HDICACEKSA-N 384.476 2.771 0 40 GFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OCC)c1 997474 GRWHXHHRHFIITA-ZDUSSCGKSA-N 399.241 2.744 0 40 GFAB COc1ccc(NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 3136769 YOQGCGRPZYDGMY-SNVBAGLBSA-N 388.679 2.764 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)cc1 24149298 LGTKJMFTXODTDS-UHFFFAOYSA-N 393.487 2.780 0 40 GFAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 55149549 SOSVCKVLJMZZPA-STQMWFEESA-N 384.354 2.893 0 40 GFAB COCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 22275231 DBFMMKXIYMGYQF-UHFFFAOYSA-N 390.505 2.651 0 40 GFAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2ccccc2)CC1 57050829 MYZDIEHAMPUXJB-UHFFFAOYSA-N 392.459 2.715 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 26388287 LASJYXMSLDTEAX-UHFFFAOYSA-N 390.248 2.823 0 40 GFAB CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1nc(Cc2ccccc2)no1 58022990 BERVHZPGPJKXRM-UHFFFAOYSA-N 399.472 2.773 0 40 GFAB NC(=O)COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)cc1 58171155 HGEHYXPMCZZVMB-UHFFFAOYSA-N 394.431 2.561 0 40 GFAB Cc1nn(Cn2ccc(C(=O)Nc3nccs3)n2)c(C)c1Br 27973600 IIHBXLVCHRCPSM-UHFFFAOYSA-N 381.259 2.674 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 58265588 PHGWNKKLCCVBKF-KBPBESRZSA-N 395.525 2.888 0 40 GFAB CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2150764 SVCBOTIKJUIHHB-WFASDCNBSA-N 375.421 2.801 0 40 GFAB biogenic COc1ccccc1-c1nnc(SCC(=O)NC2CCCCCC2)n1N 3305215 JFNYLZNKVKXOPI-UHFFFAOYSA-N 375.498 2.599 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 36446708 IMGAZFDQJQOSIT-UHFFFAOYSA-N 383.467 2.768 0 40 GFAB O=C(c1ccc2c(c1)CCC2)N1CCN(CC(=O)N2CCc3ccccc32)CC1 48363735 VNEFQAAJWVPZAY-UHFFFAOYSA-N 389.499 2.522 0 40 GFAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCCc2ccccc21 12811221 HVMYMASHSQRBSK-RDJZCZTQSA-N 396.443 2.539 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(C(C)C)C(C)C)cc1 3437586 XVGPPDBIBNVKTJ-UHFFFAOYSA-N 398.525 2.519 0 40 GFAB Cc1ccc(F)cc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8697106 PXMLMCNBZISYCE-UHFFFAOYSA-N 389.452 2.803 0 40 GFAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H]3C=CS(=O)(=O)C3)cccc2c1=O 13684742 NGJSSQXGIQFOGT-HNNXBMFYSA-N 395.436 2.809 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2F)c1=O 64604825 RWLOKSLHLNDGRE-UHFFFAOYSA-N 380.379 2.647 0 40 GFAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(N2CCOCC2)cc1 4265945 OJPMODWRCCDXFT-UHFFFAOYSA-N 386.473 2.869 0 40 GFAB Nc1nc(N2CCN(C3CCCCC3)CC2)ncc1C(=O)Nc1ccccc1 65154629 AMLHUGJXGOVKLV-UHFFFAOYSA-N 380.496 2.766 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccc(OCC)cc4)c(C)c(C)n23)n(C)c1=O 4386378 BHXPXUXSWQWPPV-UHFFFAOYSA-N 395.463 2.564 0 40 GFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1=Cc2ccccc2OC1 39982779 GLQUJZWRNVVWIK-IBGZPJMESA-N 376.412 2.844 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 8517734 XXPNPGPBKXPGOQ-UHFFFAOYSA-N 380.473 2.839 0 40 GFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCc2ccccc21 14199701 LUXNUCXMLQABPX-INIZCTEOSA-N 388.464 2.816 0 40 GFAB CCc1cccc2c(C(=O)CN3C(=O)C(=O)N(Cc4cccs4)C3=O)c[nH]c12 14184229 PIYIDJGFBARMEW-UHFFFAOYSA-N 395.440 2.966 0 40 GFAB CC(C)COc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 4563646 IYNIEAZYIZTQGE-UHFFFAOYSA-N 384.432 2.904 0 40 GFAB CCc1nn2c(=O)cc(CSc3nnnn3-c3ccc(C)cc3C)nc2s1 6588376 DDRKZFIUYHDDGQ-UHFFFAOYSA-N 399.505 2.598 0 40 GFAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc2[nH]c(=O)[nH]c2c1 6590633 QHUCBZRJXWYQMT-UHFFFAOYSA-N 377.356 2.511 0 40 GFAB CC(=O)N(C)[C@H](c1ccccc1)c1nnnn1-c1ccc(Br)cc1 4670434 ZJRWHGXGRYZCIW-MRXNPFEDSA-N 386.253 2.993 0 40 GFAB CCCn1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)nc2ccccc21 14626128 BEEZTCVYCCBHGB-UHFFFAOYSA-N 397.479 2.886 0 40 GFAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 18475771 LQQGAIZOVWJDRU-UHFFFAOYSA-N 384.263 2.816 0 40 GFAB CCc1ccc(-c2nnn(CC(=O)Nc3cc(NC(C)=O)ccc3OC)n2)cc1 7042131 IRDVGJFZKAHDGW-UHFFFAOYSA-N 394.435 2.508 0 40 GFAB CCCn1c(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]c1=O 7364978 JKLPFGGRHMKWCS-HNNXBMFYSA-N 388.537 2.943 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2cccc3nsnc23)c(OC)c1 19078765 BIYNCDLIQOWXGZ-UHFFFAOYSA-N 379.463 2.529 0 40 GFAB COc1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)c(Br)c1 68109614 IUHSCDRUTPFVTL-AWEZNQCLSA-N 399.310 2.594 0 40 GFAB O=C(CSc1nc2ncccn2n1)Nc1ccc(Br)cc1F 8980827 OCSUHNFXFVCEJQ-UHFFFAOYSA-N 382.218 2.757 0 40 GFAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 7820758 NROBUVHWFSUOTJ-DMUBJSPUSA-N 384.407 2.914 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)c2)n1 95367853 YNXQYKPVFMJEQD-ORAYPTAESA-N 377.400 2.912 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cc1OC 79020400 SEJNDRVFAQXZDP-UHFFFAOYSA-N 388.239 2.973 0 40 GFAB CN(C(=O)CN1CSCC1=O)c1nc2c(s1)C[C@H](c1ccccc1)CC2 95958542 NFMVBDLHNYAIHY-CQSZACIVSA-N 387.530 2.911 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1S(=O)(=O)N(C)C 9956841 PYYQADDHAGJIQN-QGZVFWFLSA-N 388.489 2.923 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)C[C@@H]3OCCc4ccsc43)CC2)no1 89605153 IUWSSBSSBCECPX-HNNXBMFYSA-N 389.477 2.926 0 40 GFAB C[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 113940988 VRPDOSBBOCJFNC-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)C1CC1 67896464 CCFJNCCUTRQMEP-TZIWHRDSSA-N 386.492 2.876 0 40 GFAB biogenic,in-vitro CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1C 408623067 OSUQKBODCQUROM-UHFFFAOYSA-N 392.477 2.953 0 40 GFAB COc1c(CNC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)oc2ccccc12 516909978 LBKDRTLXYMKMCK-IBGZPJMESA-N 392.477 2.552 0 40 GFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 218566820 JZWLTCJZSATAHA-FHWLQOOXSA-N 379.909 2.780 0 40 GFAB O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cnn2c1CCC2 564708082 HJLQHTOYDWJXON-CYBMUJFWSA-N 383.402 2.716 0 40 GFAB O=C(Nc1ccc(F)cc1F)C1CCN(c2nnnn2-c2ccccc2)CC1 35312889 LYAYMMWWUAGJNW-UHFFFAOYSA-N 384.390 2.796 0 40 GFAB CC[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(OC)cc1 44886387 QTCPABXCVCNBTA-KRWDZBQOSA-N 376.478 2.972 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)Cc1ccccc1 222820018 QQPYTRTXVDYYFO-UHFFFAOYSA-N 382.485 2.918 0 40 GFAB Cc1ccc2nc(SCC(=O)N3CCc4ccccc4C3)n(C)c(=O)c2c1 48344444 JYFXKAGLVYLGQH-UHFFFAOYSA-N 379.485 2.919 0 40 GFAB O=C1C[C@@]2(CCN(C(=O)Nc3nc4c(s3)COCC4)C2)Oc2ccccc21 572943694 OMBBMTBCFNLKSS-LJQANCHMSA-N 385.445 2.858 0 40 GFAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)NC[C@H]1CCCO1 225818198 AHJJARDZOQDPDW-CYBMUJFWSA-N 380.242 2.727 0 40 GFAB O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc2c(c1)OCCCO2 97588850 MUQLCBNRJDHTLY-UHFFFAOYSA-N 390.436 2.989 0 40 GFAB CCCc1ccc(C(=O)N2CCc3c(CNc4ncccn4)nn(C)c3C2)cc1 96255919 AFCHAXMUBDKZFZ-UHFFFAOYSA-N 390.491 2.973 0 40 GFAB O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc(Cl)cc1Cl 95116121 NZQILEZNHSCIBQ-UHFFFAOYSA-N 387.292 2.972 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 96225005 BETKJFRKMBEKKO-OAQYLSRUSA-N 378.432 2.780 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)nn1-c1cccc(F)c1 578489838 QPMQEKJQFRIVJV-QAPCUYQASA-N 398.442 3.095 0 40 GFAB Cc1cc2cc(NC(=O)N3CCC([C@@H]4OCCC[C@H]4N)CC3)ccc2n(C)c1=O 580880722 KPMYNFNAJJFSIC-QUCCMNQESA-N 398.507 2.597 0 40 GFAB NC(=O)CNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257257161 KOHRWEFRMOAIRA-UHFFFAOYSA-N 388.414 2.573 0 40 GFAB CC(C)C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257274442 NLBMEULADPIHTF-LJQANCHMSA-N 393.434 2.876 0 40 GFAB CNC(=O)c1cccnc1N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 684579300 FBJHHYOLJCLMAZ-OAHLLOKOSA-N 396.495 2.677 0 40 GFAB CCc1nc(-c2ccc(N3CCN(C(=O)/C=C/c4ccco4)CC3)nc2)no1 90558850 KPHPWSTVDDYQCL-SOFGYWHQSA-N 379.420 2.649 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2CO)cc1C 599410112 UPZLNYVATNIZEH-UHFFFAOYSA-N 377.466 2.571 0 40 GFAB NC(=O)c1cc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cs1 1648952599 LFYVMNJWARGGBN-UHFFFAOYSA-N 388.474 2.617 0 40 GFAB Cn1nc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)ccc1=O 585113712 RKGUCLMBWXHRKJ-SFHVURJKSA-N 395.381 2.916 0 40 GFAB C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5781111 ZARGNRHCCBTLBI-SNVBAGLBSA-N 396.321 2.868 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O 13673204 BCBVSZXDDBYFNU-UHFFFAOYSA-N 394.880 2.704 0 40 GFAB O=C(Cn1cccn1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376518 VFCXEUJAZIAEMT-UHFFFAOYSA-N 388.431 2.888 0 40 GFAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CC2)CCO1 19580553 PCFQAFOTTCESRU-DEOSSOPVSA-N 392.499 2.992 0 40 GFAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CCN(C(C)=O)CC1 19694172 ABXQBXAHXKSYPC-UHFFFAOYSA-N 384.480 2.953 0 40 GFAB Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1S(=O)(=O)N1CCCC1 12365980 BIVUDUQEXCLGCZ-LBPRGKRZSA-N 380.436 2.697 0 40 GFAB Cc1cc(C)n(CCNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)n1 247891099 FRJPSYNKLKMNLH-SZFLOTBDSA-N 379.460 2.676 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4C[C@@H]3C)C2=O)cc1 2621795 LWERJGKREADVAT-OYHNWAKOSA-N 377.444 2.740 0 40 GFAB Cc1cc2c(N3CCN(c4cc(O)nnc4-c4ccccc4)CC3)nccn2n1 1888919434 MQRVBAIUBZWRNX-UHFFFAOYSA-N 387.447 2.527 0 40 GFAB CCS(=O)(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(C)o2)CC1 2056226134 LHOYXNAMVPCSTM-KRWDZBQOSA-N 382.526 2.953 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)NC3CCCCCC3)CC2=O)cc1OC 5202067 YQTQGISMIZGLPA-OAHLLOKOSA-N 375.469 2.831 0 40 GFAB CCOc1ccc(N2C(=O)N(c3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8768137 LNJGXJHRBQPBEJ-ROUUACIJSA-N 390.436 2.837 0 40 GFAB CC(C)(C)NC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 10613191 IXXOSEXSLSVIIK-UHFFFAOYSA-N 391.884 2.769 0 40 GFAB Cc1nnc(N2CCOC[C@]3(CCCN(C(=O)[C@H]4CC[C@H](C)CC4)C3)C2)o1 2055815511 YFCJZRDMMSRSAM-KNBMTAEXSA-N 376.501 2.650 0 40 GFAB COc1ccc(NC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)cc1OC 23125942 IJDAWBKRJCZRHX-UHFFFAOYSA-N 392.415 2.924 0 40 GFAB O=C(NC[C@H](OCCO)c1ccsc1)C1(c2ccccc2)CCOCC1 575621464 ONVWJIBGTARYLG-SFHVURJKSA-N 375.490 2.663 0 40 GFAB Cc1cc2c(cc1NC(=O)c1cccc(-n3cccn3)c1)N(C)S(=O)(=O)N2C 575613161 PYOVMJNWVCWBTL-UHFFFAOYSA-N 397.460 2.564 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)c1C 585149213 HHHBJERLXHKZIX-MRXNPFEDSA-N 387.509 2.814 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2cc(C)ccc2C)nc(=O)[nH]c1C 4317574 SYVVEMLXHYGKLG-UHFFFAOYSA-N 375.450 2.603 0 40 GFAB COC(=O)/C=C1\N=C(Nc2nc(C)cc(C)n2)N(c2ccc(Cl)cc2C)C1=O 100748342 ANQUPTLEFNIYJE-ZROIWOOFSA-N 399.838 2.927 0 40 GFAB CN(C)S(=O)(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30520435 MGOALFWMMKMGRG-UHFFFAOYSA-N 399.969 2.993 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 31505723 QIENEWHJELXACN-QGZVFWFLSA-N 377.448 2.521 0 40 GFAB COc1cccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)c1 17794842 LGBXORQZFOEATG-FQEVSTJZSA-N 381.476 2.855 0 40 GFAB Cn1c(=O)c2c(nc3n(-c4cccc(F)c4)c(-c4cccs4)cn23)n(C)c1=O 11615665 DMOCLZQHJAVFMN-UHFFFAOYSA-N 395.419 2.543 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc2ccccc2[nH]1 11717121 YFIKQYNGGZXVRN-UHFFFAOYSA-N 378.476 2.991 0 40 GFAB CCSc1nc2c(n1C)CCN(C[C@H](O)c1ccc(OC)c(OC)c1)C2 711265 ZUMBEIQBFPEKJU-INIZCTEOSA-N 377.510 2.641 0 40 GFAB COCCCNc1cnn(C23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 2356535 CMBTUTCYOMITKY-PMRTXILPSA-N 395.887 2.581 0 40 GFAB CCN1CCc2c(OCC(=O)Nc3ccc(OC)cc3OC)cccc2C1=O 2716310 UBCWJEVHPJNEGM-UHFFFAOYSA-N 384.432 2.740 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CCCc2ccccc21 3418229 XWHZKVDPAGJNHW-ZDUSSCGKSA-N 377.238 2.966 0 40 GFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccccc1 3553622 JLMURHKDDSPIPV-NSHDSACASA-N 383.372 2.867 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)o2)s1 6169054 YAPLNASEQSUKFZ-UHFFFAOYSA-N 377.451 2.890 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 6818964 LJTIHFYSZGAAJO-CYBMUJFWSA-N 380.491 2.796 0 40 GFAB C#CCOc1c(Br)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OCC 6951145 DAVHHSUFQZWBBN-UKTHLTGXSA-N 393.237 2.772 0 40 GFAB CC(C)c1cccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1 32755439 ITNOMWRRXPXDHN-QGZVFWFLSA-N 398.532 2.968 0 40 GFAB CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 7608510 LHMNLTHXKBZHJE-KRWDZBQOSA-N 396.553 2.962 0 40 GFAB O=C(CCC(=O)c1cccs1)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707512 NWGPQZVNHGFNPJ-UHFFFAOYSA-N 386.473 2.751 0 40 GFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(OCC(C)C)cc2)CC1 7979165 VZSZXKHFCZWMQC-UHFFFAOYSA-N 391.464 2.680 0 40 GFAB COc1ccccc1N(CC(=O)NCCCc1cccc(C)c1)S(C)(=O)=O 10110727 ITWRGZWAMJFZQE-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10434388 CIZMORDOCHJWBN-CQSZACIVSA-N 394.468 2.557 0 40 GFAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)n1 8053803 CIRIPDWIDLOKBE-LBPRGKRZSA-N 376.486 2.777 0 40 GFAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1OC 8361592 HZBQLPRPJMZARS-MRXNPFEDSA-N 398.459 2.690 0 40 GFAB CCn1cnnc1CNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl 32931513 FDXXBQBEGHDHAS-UHFFFAOYSA-N 376.823 2.574 0 40 GFAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2cccs2)n1 32937563 HLZABDXLRDHGMA-UHFFFAOYSA-N 377.413 2.964 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(Cl)c1 16401277 DOGRESHRRNELDZ-GOSISDBHSA-N 375.812 2.956 0 40 GFAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 22023630 LCIHPQACJNKPDS-UHFFFAOYSA-N 393.509 2.864 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)ccc1Br 22307979 RYMVDPUZYRQOJN-LBPRGKRZSA-N 398.278 2.876 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)cc1 23042596 CKROMIPKJLJOAC-UHFFFAOYSA-N 399.472 2.568 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2OC)c(OC)c1 908802 MQFNBVPJUPIMDR-LJQANCHMSA-N 397.431 2.979 0 40 GFAB Cc1nc(C2(NC(=O)CCn3cnc4sccc4c3=O)CCCCC2)no1 23508693 ZMJWPZNQELYMQE-UHFFFAOYSA-N 387.465 2.515 0 40 GFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccc(Cl)s2)CC1 24600921 FABZERXTPMUYBN-UHFFFAOYSA-N 388.880 2.596 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42CC[C@@]1(OC)[C@H](C(C)(C)O)C2 103843837 MKWFKXIKUBABHP-HIZTWUKYSA-N 399.531 2.910 0 40 GFAB O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 106402316 PXOSMUYMWYOVPI-WDEREUQCSA-N 391.777 2.513 0 40 GFAB CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(C)s3)c2)CC1 25009656 DNWKBDZZNJEKIN-UHFFFAOYSA-N 393.534 2.635 0 40 GFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1 25047078 QMOUDNIAANURGF-UHFFFAOYSA-N 387.443 2.700 0 40 GFAB O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 1457803 HDHFEEPAHHMVCV-FQEVSTJZSA-N 377.488 2.888 0 40 GFAB O=C(CCc1ccccc1Br)NC[C@H]1CN2CCCC[C@H]2CO1 107542404 JWEYFBSCHUFBGO-HOTGVXAUSA-N 381.314 2.751 0 40 GFAB CCCN1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 27969917 GOUJQJBYYZDIRY-UHFFFAOYSA-N 391.313 2.862 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 57477539 JDBCEELYCHUDNU-KRWDZBQOSA-N 393.487 2.711 0 40 GFAB Cc1ccc2c(c1)N(C(=O)COC(=O)c1cncc(Br)c1)CCO2 57487354 ZGLQPMLDIJPHPH-UHFFFAOYSA-N 391.221 2.735 0 40 GFAB COc1ccc(-c2noc(CNC(=O)CCc3ccc4c(c3)OCO4)n2)cc1 62122100 AADYTALZCRZQRJ-UHFFFAOYSA-N 381.388 2.723 0 40 GFAB Cc1sc2nc([C@@H](C)N3CCN(c4nccs4)CC3)[nH]c(=O)c2c1C 57923248 MBQSCLLFVQEICV-LLVKDONJSA-N 375.523 2.941 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(Br)c1 27384283 LTMVAVINKMLQAE-NSHDSACASA-N 397.294 2.930 0 40 GFAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 58180085 IORMMWMHISVKIH-AWEZNQCLSA-N 382.416 2.627 0 40 GFAB C[C@H](C(=O)NCc1cc(Br)ccc1OC(F)F)n1cncn1 58223238 UJRHXPUILMXOQU-MRVPVSSYSA-N 375.173 2.519 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(C)o2)C(C)C)cc1 58213037 UCRYPHGTBYKYGA-UHFFFAOYSA-N 378.494 2.866 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1 3339606 SHXGRTVGEMHZIU-UHFFFAOYSA-N 387.230 2.749 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 12754991 RJLAHDLEPLGKKR-LJQANCHMSA-N 393.487 2.661 0 40 GFAB CCN(Cc1nonc1C)C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 36616919 ZJVAPHBCISQNFJ-UHFFFAOYSA-N 380.408 2.890 0 40 GFAB CCN1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)CC1=O 48281028 LAUMMZCCDHMKTO-GFCCVEGCSA-N 375.425 2.946 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1C(=O)C[C@@]2(CCSC2)C1=O 69159042 SZVFZPKSNMKEMJ-HRAATJIYSA-N 391.533 2.914 0 40 GFAB Cc1ccc(-n2nnnc2SCCN2C(=O)c3ccccc3C2=O)c(C)c1 3420414 OKLHDNMKJWSSFD-UHFFFAOYSA-N 379.445 2.667 0 40 GFAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c(C)c1 408978966 BFBVUPCSYBKIMV-NRFANRHFSA-N 399.450 2.978 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)CSc2ccc(C)cc2C)cc1 12908518 PJEMQQKGBNSSGL-UHFFFAOYSA-N 392.546 2.761 0 40 GFAB O=C1CN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c2ccccc2N1 12977565 SAHDCEFSCMTVIY-ZHACJKMWSA-N 389.455 2.924 0 40 GFAB CCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C4CC4)sc3n2)s1 20983883 PPTBZNUHQHKSAV-UHFFFAOYSA-N 394.507 2.521 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1)(Nc1cc(C)cc(C)n1)C(F)(F)F 13144254 IMGRMFPVLFHBFO-KRWDZBQOSA-N 381.354 2.972 0 40 GFAB COc1cc(NC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc(OC)c1 38556117 QHYMPYBFYXNBBI-UHFFFAOYSA-N 395.463 2.930 0 40 GFAB COCCCNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 4089216 UCQPWBIFGRYXAN-UHFFFAOYSA-N 389.448 2.737 0 40 GFAB biogenic C[C@H](Sc1nnnn1Cc1cccs1)C(=O)N1CCc2ccccc2C1 8345083 QZENWZJRNLPLNX-ZDUSSCGKSA-N 385.518 2.848 0 40 GFAB COC(=O)c1cc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)ccc1OC 14124756 IEPCWXCNUFSXLC-QGZVFWFLSA-N 375.808 2.755 0 40 GFAB CC(C)CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 14199533 DXOJRGKYRCZKBP-VBKZILBWSA-N 377.460 2.924 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408597958 WZGNARZVMTXEPC-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CCOc1ccc(CN(C)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1OC 14242262 ZAPXYQXXSNHUHQ-SFHVURJKSA-N 397.475 2.646 0 40 GFAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCc1ccccn1 6796942 OMGAJOYXEXZCFY-UHFFFAOYSA-N 376.441 2.904 0 40 GFAB CN1C(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C(=O)C12CCCCC2 7401139 PUUGQOKOITXRAA-UHFFFAOYSA-N 381.476 2.899 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccncc4)C[C@@H]32)cs1 306133602 MQPYFGJHYIKPHX-MOPGFXCFSA-N 379.489 2.730 0 40 GFAB COCc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(OC)cc2)no1 96000627 DFWUCGSFWJOKFP-HNNXBMFYSA-N 381.454 2.531 0 40 GFAB CCc1nnc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1 9500076 KHZZEGCSVCCDLW-UHFFFAOYSA-N 377.447 2.920 0 40 GFAB O=C(c1cnn2c1CCCC2)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72161030 SQERNBVVEIWHLB-KSEOMHKRSA-N 376.504 2.922 0 40 GFAB CCC(CC)[C@@H](NC(=O)c1cccc(I)c1)C(=O)OC 72300917 OHGNQZVVMYNVCW-CYBMUJFWSA-N 389.233 2.999 0 40 GFAB O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 84525624 RJNFUZSLUQMAFM-RTBURBONSA-N 378.428 2.539 0 40 GFAB Cc1cc(=O)c(OCC(=O)NCCc2nc(-c3ccccc3)cs2)cn1C 95475563 PASVCEDFEHIGQO-UHFFFAOYSA-N 383.473 2.555 0 40 GFAB Cc1cnn(-c2ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc2F)c1 79098314 JNEXGEAFFDEAQW-UHFFFAOYSA-N 382.505 2.717 0 40 GFAB CN(C)C(=O)N1CCC(c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)CC1 95999035 QESXKWLIEOSYDH-GOSISDBHSA-N 399.495 2.504 0 40 GFAB CC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)=NN1c1ccccc1 89522661 OHAFJLOJFIBFHZ-MOPGFXCFSA-N 379.464 2.914 0 40 GFAB Cc1c(C(=O)N[C@@H](CO)c2ccc(F)cc2)nnn1-c1cccc2cnccc12 552675247 NSPRJSKNOFHBMN-SFHVURJKSA-N 391.406 2.726 0 40 GFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 35268930 IPNCPTBPSQGIRF-BODMPHMZSA-N 394.874 2.870 0 40 GFAB COc1cc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)ccc1O 36701643 CGEDRCKHRONNKJ-IGNZVWTISA-N 379.420 2.651 0 40 GFAB CC[C@@H](CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)n1cccn1 36619030 ICCHWSUOOYIOGT-INIZCTEOSA-N 393.426 2.898 0 40 GFAB Cc1ccn(C[C@@H](C)CNC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36619476 AYAXZUFOJVYDPZ-ZDUSSCGKSA-N 393.426 2.501 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358028 RJXJCFWSCKHYAF-NRFANRHFSA-N 383.467 2.807 0 40 GFAB O=C(O)COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 34079876 NZWPJTQJNJIULS-UHFFFAOYSA-N 386.223 2.713 0 40 GFAB COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(C)(=O)=O 30753509 OUILIHAXZJDPTN-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(CCn2cccn2)CC1 62153597 NBJZFSPZEFJVNL-UHFFFAOYSA-N 388.471 2.572 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 225712370 AWIIOIQATUDERE-SFHVURJKSA-N 399.871 2.990 0 40 GFAB Cc1nnc([C@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)C2)s1 42380360 UVKOJJBGFLBSCC-ZDUSSCGKSA-N 397.460 2.985 0 40 GFAB Cc1cc(C(=O)NCCOc2cccc(C)c2C)ccc1N(C)S(C)(=O)=O 223959911 HSSCEQSGOQWHIQ-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(N2CCOCC2)ncn1 77100876 IBGYRXXQVAQPEB-UHFFFAOYSA-N 390.443 2.998 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](c2cccc3ccccc23)NC(=O)N[C@@]1(O)C(F)(F)F 230146264 YXVBNKFETFKJDP-VBQJREDUSA-N 382.338 2.624 0 40 GFAB Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCCc2c(cnn2C)C1 577268910 RSFMHRBQSQCSRW-MRXNPFEDSA-N 378.480 3.515 0 40 GFAB Cc1ccccc1NC(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237793 BZDQSPMFDSVJSG-QFIPXVFZSA-N 378.476 2.950 0 40 GFAB CNC(=O)[C@@]12CCC3(CCN(Cc4ccc(C)s4)CC3)[C@@H]1CN(C(C)=O)C2 97952829 CJABJPXRZYPBAV-GHTZIAJQSA-N 389.565 2.643 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1ccco1)c1c(F)cccc1F 253470880 ADLODNXJHIENLC-MRXNPFEDSA-N 385.413 2.834 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)c1 257318947 VQASAFJYBSQLJZ-GOSISDBHSA-N 390.447 2.925 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)N(C)C3=O)n1 257315918 VDGPRORUZYLPSL-UXHICEINSA-N 393.487 2.577 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCC2CCCC2)[C@@H]1c1cccc(OC)c1 257331181 XRSMRHRXAZVINP-CTNGQTDRSA-N 388.508 2.928 0 40 GFAB COc1cnccc1CNC(=O)[C@H]1CCO[C@@H]1c1cncc(Br)c1 1615997207 MBBTWPNNUJVRSW-GOEBONIOSA-N 392.253 2.642 0 40 GFAB COc1ccc(COCC(=O)N2CCC3(CC2)OCCc2ccccc23)cn1 627701832 ZKAUQZRALUZBHP-UHFFFAOYSA-N 382.460 2.697 0 40 GFAB O=C(N[C@H]1CCCC12CCCCC2)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 664591317 NZYHUUVWEOVSHF-JTDSTZFVSA-N 384.542 2.525 0 40 GFAB CN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 672326034 JEGVPKAIGDUTOR-LBPRGKRZSA-N 386.422 2.654 0 40 GFAB Cc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1)N(C)S(=O)(=O)N2C 575613258 QQPXVGMNOFMSCK-UHFFFAOYSA-N 395.868 2.797 0 40 GFAB COc1ccc2nnc(CNC(=O)C3(c4cc(F)cc(F)c4)CCCC3)n2n1 585123682 OYGSPFDPEUAJDF-UHFFFAOYSA-N 387.390 2.539 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 585106765 HUGZGEDTWKMSPB-XHDSLABCSA-N 392.503 2.668 0 40 GFAB CN(CC(=O)O)C[C@@H]1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)CCO1 582476029 GRGMMRYVQDKASN-OAHLLOKOSA-N 397.431 2.835 0 40 GFAB Cc1sc(CNC(=O)NC[C@H]2COCCO2)nc1-c1ccc(Cl)cc1 56791063 KZOJHVUCIPQSCJ-AWEZNQCLSA-N 381.885 2.987 0 40 GFAB CNC(=O)c1ccc(C)c(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1 67258848 FMBCEKRCOXKCJQ-UHFFFAOYSA-N 398.463 2.682 0 40 GFAB CCc1noc(C)c1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615118685 CZTKGISSBTXGJW-JOCHJYFZSA-N 397.475 2.974 0 40 GFAB CC(=O)N1c2ccc(NC(=O)[C@]3(C)CC(=O)N=C4C=C(C)C=CN43)cc2C[C@H]1C 12204642 ACZWQPKILKCREY-PEBXRYMYSA-N 392.459 2.786 0 40 GFAB C[C@@H]1CN(c2ncc3c(n2)CCC[C@H]3NC(=O)Cc2cccs2)C[C@@H](C)O1 12241180 GRVAKSBYZUGMNF-CKEIUWERSA-N 386.521 2.888 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 13711106 XZPHHQWURDTBPV-INIZCTEOSA-N 392.477 2.887 0 40 GFAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)CC)cs2)s1 13996581 HBAZCELNJVFIAW-UHFFFAOYSA-N 392.553 2.604 0 40 GFAB CCOc1c(Cl)cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC 17114125 MCGFIKNZLWBENU-UHFFFAOYSA-N 395.843 2.647 0 40 GFAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(CCCOc2ccccc2C)C3)C1 19237409 WROXZKJJPUQVAG-IBGZPJMESA-N 394.519 2.948 0 40 GFAB C[C@H]1CCCN(c2ncc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cn2)C1 19496642 HRUKHVXYNJYJHI-FXAWDEMLSA-N 379.508 2.842 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19559103 XREMMDQFRWQFQY-CYBMUJFWSA-N 399.882 2.600 0 40 GFAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)c4c(C)noc4C)[C@H]23)cc1 19580084 KABUMDBNLLQTBP-SFHLNBCPSA-N 397.475 2.919 0 40 GFAB CCOc1ccc(NC(=O)N2CCN(c3cc(OCC)nc(C)n3)CC2)cc1 11613224 AWAVVDNBAQEAME-UHFFFAOYSA-N 385.468 2.937 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)no2)cc1 19287885 LCJMCRIJZVSIKN-UHFFFAOYSA-N 396.447 2.522 0 40 GFAB COc1cccc([C@@H]2CN(C(=O)Cc3ccccn3)C[C@]23CCCCC(=O)N3)c1 19566113 WZBZFMPOUDIWTA-NZQKXSOJSA-N 393.487 2.688 0 40 GFAB COc1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1S(N)(=O)=O 7276129 GRVWBAYXTNWUPM-UHFFFAOYSA-N 376.463 2.580 0 40 GFAB Cc1ccc(CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(C)c1 1889128380 KXKLPKUZTIKRJP-UHFFFAOYSA-N 381.524 2.561 0 40 GFAB O=C1[C@@H](N2CC(n3c(C4CC4)nc4ccccc43)C2)CCN1CC(F)(F)F 1776009375 XUSRQYVTODPOTD-INIZCTEOSA-N 378.398 2.934 0 40 GFAB CC(C)Sc1ccc(CC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1 253401956 NUNOFQNARRXGAI-UHFFFAOYSA-N 376.478 2.699 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1 5257259 DDHONNYSYOSDHX-UHFFFAOYSA-N 397.460 2.601 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856904 NNRDYNXBWSLGSI-UHFFFAOYSA-N 382.347 2.709 0 40 GFAB Cc1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c2c1cnn2-c1ccccc1 12227893 WZEYKIZVEISMGC-UHFFFAOYSA-N 395.369 2.808 0 40 GFAB Cc1noc(-c2sccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 211077125 YIVKPCGOCJBWQY-UHFFFAOYSA-N 392.462 2.609 0 40 GFAB CC(=O)c1cccc(NC(=O)CSc2nccnc2N2CCSCC2)c1 48987196 VFPHYKQVEOOPAI-UHFFFAOYSA-N 388.518 2.963 0 40 GFAB Cc1ccc(-n2nc(C(=O)NCCNc3cnccn3)c3c2CCCC3)cc1F 30882227 RFGCPAYQMVAHEO-UHFFFAOYSA-N 394.454 2.831 0 40 GFAB O=C(c1nnn(-c2ccc(Br)cc2)n1)N1CCc2ccccc2C1 77100486 ACPLGSVQAZDHMB-UHFFFAOYSA-N 384.237 2.623 0 40 GFAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2ccnc2)cc1 7986187 CXFUNVLSNZEBDZ-OAHLLOKOSA-N 387.443 2.919 0 40 GFAB Cn1c(C[C@@H]2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O 95299528 ARPYLDZNAMLANX-ZDUSSCGKSA-N 384.233 2.974 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(C)ccc21 100876071 GZHWHAHSOOECKD-MRCUWXFGSA-N 398.440 2.712 0 40 GFAB CCc1ccc(N2CCN(CN3C(=O)C4(OCCO4)c4ccccc43)CC2)cc1 226762843 RSJWSEPQOLUIRT-UHFFFAOYSA-N 393.487 2.575 0 40 GFAB COc1ccc(CN(CCC(=O)N2CCN(c3ccccn3)CC2)C2CC2)cc1 40062863 CMNRKHKGRFHWBK-UHFFFAOYSA-N 394.519 2.794 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(CN2CCCCCC2)CC1 40121843 GDEIKAFWWFPQJP-SFHVURJKSA-N 375.561 2.952 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCOc1ccc2c(c1)OCO2 40121781 MUPKUOUPXCGBFG-UHFFFAOYSA-N 393.443 2.956 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NCCCCN3C[C@@H](C)C[C@@H](C)C3)cnc12 40146751 ZAKCWKPETFVHKF-CALCHBBNSA-N 384.524 2.579 0 40 GFAB CN(CC(=O)O)[C@H](C(=O)O)c1c[nH]c2ccc(NC(=O)c3ccccc3)cc12 32092613 ITFZDEKBIFLZKC-SFHVURJKSA-N 381.388 2.562 0 40 GFAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(-n2cc(C(N)=O)nn2)cc1 45855212 CBGSDWGJZNWEHM-HNNXBMFYSA-N 399.454 2.939 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CCC(O)(c2cccnc2)CC1 1348086 WANSVDXPWSRMSF-UHFFFAOYSA-N 397.294 2.516 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467691 TZOIZYMWENXFCM-LBPRGKRZSA-N 394.474 2.516 0 40 GFAB COc1cccc(Cn2[nH]cc/c2=N\C(=O)COc2ccccc2F)c1OC 101426138 SUWXGJFLBBWLMB-PTGBLXJZSA-N 385.395 2.527 0 40 GFAB C[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(F)c(F)c1 102173331 UFXNWBQNRVDVMI-VIFPVBQESA-N 375.400 2.991 0 40 GFAB COc1ccc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)cc1 11997072 CBVARCRQXPAIDZ-AWEZNQCLSA-N 377.466 2.627 0 40 GFAB CO[C@H]1CC[C@H](C(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)CC1 100224599 CPXPULQKFXVUBW-PUZFROQSSA-N 384.524 2.970 0 40 GFAB O=C1C[C@@H](C(=O)Nc2ccc3ccccc3c2)n2nc(C(F)(F)F)nc2N1 8559324 GHWXRLYWVFZLPQ-LBPRGKRZSA-N 375.310 2.972 0 40 GFAB Cc1ccc(NC(=O)CN(C)CC(=O)NCc2ccco2)cc1Br 8705345 VIRSCHBQCJNVGG-UHFFFAOYSA-N 394.269 2.537 0 40 GFAB NC(=O)c1ccc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)cc1 22182936 IXWIZJYWCGDYHJ-UHFFFAOYSA-N 388.427 2.633 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1nc(-c2ccncc2)no1 22622525 MKOCACZVQCJZOP-UHFFFAOYSA-N 394.431 2.884 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 23054465 VPMNZEJSUMCACW-UHFFFAOYSA-N 381.432 2.754 0 40 GFAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 23177968 IFIDAYCJUGTIDK-HNNXBMFYSA-N 388.443 2.533 0 40 GFAB CC(=O)N1CCN(C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 23386754 FQEUOXMMQPLUQG-JTHBVZDNSA-N 382.504 2.626 0 40 GFAB CCCCN1C(=O)[C@@](NC(=O)CC(C)C)(C(F)(F)F)C(C(=O)OC)=C1C 12419956 DULBTAXYEZYNKC-MRXNPFEDSA-N 378.391 2.539 0 40 GFAB CCn1c(=O)n(CCC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 12458419 VBQGBKVQEKNCMA-UHFFFAOYSA-N 392.503 2.557 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 3015674 ZREXNWOLBVBGAR-UHFFFAOYSA-N 387.871 2.892 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(Br)c2)CC1 24471948 HUCSZFBUGVLKJF-UHFFFAOYSA-N 385.258 2.808 0 40 GFAB C[C@@H](OCc1ccccc1)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 43084327 GINOCLKBGOMFFI-WOJBJXKFSA-N 381.520 2.919 0 40 GFAB O=C1N[C@H](c2cccs2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 106213524 SNYAFSBOUHECRX-GIPNMCIBSA-N 376.381 2.914 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 24991885 BRUJIMJVJWVOFK-KRWDZBQOSA-N 384.461 2.912 0 40 GFAB Cc1c(C(=O)NCc2ccnc(-n3cccn3)c2)cnn1-c1ccc(F)cc1F 25123230 WPRKXOBVAFRUGF-UHFFFAOYSA-N 394.385 2.970 0 40 GFAB c1ccc(-c2cn3nc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)sc3n2)cc1 12520094 YTZWQLVSPMVZQE-WMZOPIPTSA-N 399.520 2.607 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cn2)CC1 26362398 ITQFSZPCAOBPNQ-HXUWFJFHSA-N 396.491 2.644 0 40 GFAB COc1ccccc1[C@H](C)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 58158646 FRBPAZVCKVQKIV-NSHDSACASA-N 395.381 2.518 0 40 GFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3244063 AGCPSQUSFBLOKG-UHFFFAOYSA-N 397.214 2.778 0 40 GFAB O=C(Cn1cccn1)NCC1(c2cccc(Br)c2)CCOCC1 58217401 VTGKTCUQKHSXKI-UHFFFAOYSA-N 378.270 2.510 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)Cc1ccco1 12743941 MWYVFKCIIKKCBO-UHFFFAOYSA-N 381.358 2.944 0 40 GFAB CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Br 27824826 OWWSNDJOWAPSRU-UHFFFAOYSA-N 378.288 2.649 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3460314 KLOIVFCCJBIFML-ZHRRBRCNSA-N 379.460 2.591 0 40 GFAB CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 3536782 WGNKXRQMFPBJLJ-OAHLLOKOSA-N 389.521 2.972 0 40 GFAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 3548159 FLRRZIFZDVGGFP-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 3557809 IEIRAXOQOKDKNC-UHFFFAOYSA-N 388.474 2.924 0 40 GFAB CCCCN1C(=O)N[C@@H](c2ccc(-n3cncn3)c(F)c2)C(C(=O)OC)=C1C 12974380 KWCCMPPOQLDUBM-KRWDZBQOSA-N 387.415 2.720 0 40 GFAB COCCOC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@H]1c1ccc(F)cc1 13097111 DMTJOZCNAQQJSC-WMZOPIPTSA-N 392.427 2.535 0 40 GFAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCc2c[nH]c3ccccc23)C1=O 6160102 JXQPEZSIHYKBOY-FBMGVBCBSA-N 382.464 2.843 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCc2sccc2[C@H]1c1ccccc1 65547794 KNEODMVBFGFIOY-WMLDXEAASA-N 376.503 2.592 0 40 GFAB CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 20139200 FQWCCGJWSZCOPY-SFHVURJKSA-N 394.479 2.569 0 40 GFAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 4554431 MGOWPOGTAXIHNT-CQSZACIVSA-N 394.468 2.944 0 40 GFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C/c1ccc(C)o1 14240749 ATOYNKPAXCQGOD-CMDGGOBGSA-N 397.431 2.904 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccc(C)c(Cl)c1 14232514 OOIWIJFPXUNIQV-UHFFFAOYSA-N 394.924 2.947 0 40 GFAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC(C)C)c1c(C)cccc12 8843737 YCLZXXKPSFXUMB-LJQANCHMSA-N 388.493 2.543 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 5675011 XMZZOSXPWKRMLZ-UHFFFAOYSA-N 398.431 2.811 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)Cc1cc(=O)oc2cc(O)ccc12 15038667 IXJVBZZQTCSRAP-UHFFFAOYSA-N 380.444 2.967 0 40 GFAB Nc1nc(N)nc(CSc2nnc(-c3cccs3)n2-c2ccccc2)n1 6975751 BUWZQYZNYLVEEU-UHFFFAOYSA-N 382.478 2.638 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC2=NN=C(c3ccccc3F)CS2)c1 5930890 AHHHGCHUEKKDJE-UHFFFAOYSA-N 392.481 2.995 0 40 GFAB Cn1c(CCN2CCCC2=O)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 9060350 BXXHDECSNIXUOP-UHFFFAOYSA-N 398.488 2.539 0 40 GFAB CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C)s1 7427912 GNQCWUVAZLSTTJ-UHFFFAOYSA-N 387.490 2.550 0 40 GFAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)nc2scc(-c3ccco3)c12 7674332 ATLITRDGWUZKOQ-UHFFFAOYSA-N 393.472 2.962 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccccc1Br 8232574 PNLXWAAQVOYDJM-SECBINFHSA-N 382.287 2.740 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)CCc3nc(-c4ccccn4)no3)c2c1 9419022 IEQBUSSKLJNBSH-UHFFFAOYSA-N 391.431 2.913 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1CCCN1c1ncnc2ccccc12 89872930 SWPIWCWFTSRGNS-QFBILLFUSA-N 392.463 2.613 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1C 408594871 POMUIOFUUDORPA-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB COc1cccc(-c2noc([C@@H](C)NC(=O)CCCNC(=O)c3ccco3)n2)c1 72303547 HKTDKVILSISTEQ-CYBMUJFWSA-N 398.419 2.726 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](C)CCc1ccccc1 72403251 SQGRJJZRBDBCBU-RDTXWAMCSA-N 389.521 2.611 0 40 GFAB O=C(COc1ccc(F)cc1Cl)NC[C@@H]1CN(Cc2ccccc2)CCO1 25561479 ZZOVRXMJIUYCTG-QGZVFWFLSA-N 392.858 2.875 0 40 GFAB COc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)c1 79112425 KLFAHVWZFKFBMR-IBGZPJMESA-N 387.461 2.764 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)ccc21 22643739 XJLTZVWJYKMGDL-UHFFFAOYSA-N 392.864 2.905 0 40 GFAB O=C(Cc1cccs1)NC[C@@H]1CCc2ncc(C(=O)NCc3ccccc3)n21 306125097 CGXLAZSIFXXBAT-INIZCTEOSA-N 394.500 2.721 0 40 GFAB CCCNC(=O)c1nn(CC)cc1NS(=O)(=O)c1ccc2ccccc2c1 32609598 SKCVITLPQFXEEU-UHFFFAOYSA-N 386.477 2.997 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN12 35380216 DMCLCFCWODYPFH-YRXWBPOGSA-N 396.393 2.800 0 40 GFAB COC1(c2ccnn2C)CN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 1515946019 ZUFNPLCLBYKQOL-UHFFFAOYSA-N 390.369 2.653 0 40 GFAB OC[C@]1([C@@H](NCc2ncc(Cl)cc2Br)C2CC2)CCCO1 529580547 MMFGELVXFDKIKD-GJZGRUSLSA-N 375.694 2.907 0 40 GFAB COc1ccc(CCNC(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)cc1 38556574 JLHRNVRYFVBNKI-UHFFFAOYSA-N 379.464 2.646 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)cc1F 30337626 YOXLQPKSMHNJTB-UHFFFAOYSA-N 378.469 2.909 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)N2CCCC2)cc1 33023384 BPOZJBGPSLROCQ-NQIIRXRSSA-N 382.460 2.788 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)c1C 38755786 HWWFPDIQDFYZKF-UHFFFAOYSA-N 391.445 2.900 0 40 GFAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccc4cn[nH]c4c3)C2=O)c1 180162360 QULSMYMEBXKWPN-FQEVSTJZSA-N 380.448 2.817 0 40 GFAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCc2c([nH]c3ccccc23)C1 563282716 LIFLHUHXCIMQFS-AWEZNQCLSA-N 377.444 2.929 0 40 GFAB CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3nnc(C)s3)n2)cc1 44213880 YWTJHECUPJMODN-NSHDSACASA-N 385.449 2.669 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCOC(C)C)C2)c1 225923602 XQAIKBGGIHCHEQ-GOSISDBHSA-N 396.553 2.635 0 40 GFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 42645549 ZRBHXOKOABNUPO-UHFFFAOYSA-N 389.477 2.839 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)s2)c1 225807310 QSMIBWWMGFMYFD-SCRDCRAPSA-N 392.506 2.566 0 40 GFAB Cc1ccc(N2C[C@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)CC2=O)cc1 96238472 OFPQTZAMMSCPKH-HXUWFJFHSA-N 388.464 2.952 0 40 GFAB CC(C)(C)CN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 604381923 VNSAMIKJUXNOGJ-GOSISDBHSA-N 391.943 2.597 0 40 GFAB biogenic,in-vitro CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cccc(-n3cccn3)c1)C2 585081392 VBGLWHGXEAJCSF-UHFFFAOYSA-N 396.516 2.681 0 40 GFAB CCOc1ccc(-c2noc(CNS(=O)(=O)/C=C/c3ccccc3)n2)cn1 253474131 CBIWIQHNWRMKKI-ZHACJKMWSA-N 386.433 2.621 0 40 GFAB CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(N2CCOCC2)ncn1 631556855 YFPPMNYMYVZANF-IBGZPJMESA-N 386.471 2.792 0 40 GFAB O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)N1CCCc2ccccc21 90610187 WNORNLAZXJYZAX-UHFFFAOYSA-N 395.846 2.632 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCC(Oc4ccccn4)CC3)CC2=O)cc1 96024674 LBMAAQDMMHMAQZ-MRXNPFEDSA-N 395.459 2.513 0 40 GFAB COc1ccc(CCS(=O)(=O)NC[C@@H](O)c2ccc(SC)cc2)cc1 96103219 KDTRKMFJOSRFLZ-GOSISDBHSA-N 381.519 2.613 0 40 GFAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 585293110 WZJPMUUPKBFFIP-YRYLYKBFSA-N 380.496 3.095 0 40 GFAB CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)cc1 53665790 WBTHHIXDSFIMDX-QGZVFWFLSA-N 381.432 2.984 0 40 GFAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 57991896 FSLPFYJZGXMYRC-GJZGRUSLSA-N 397.479 2.716 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(Cl)(Cl)Cl 5925825 RKCDHWUWRLIPDQ-UHFFFAOYSA-N 395.655 2.586 0 40 GFAB COc1cccc(F)c1-c1nc(C(=O)N2CCC(C(N)=O)CC2)c(C)s1 11866027 MQMSRPSQXAKTKY-UHFFFAOYSA-N 377.441 2.604 0 40 GFAB COc1ccc(OC)c2[nH]c(C(=O)N3CCC(O)(c4ccccn4)CC3)cc12 12117439 OKNARIJOCHSBLI-UHFFFAOYSA-N 381.432 2.704 0 40 GFAB Cc1nc2sc3c(c2c2nn(CC(=O)NC4CCCC4)c(=O)n12)CC[C@H](C)C3 12132338 BWGNCAXARNBTAQ-NSHDSACASA-N 399.520 2.598 0 40 GFAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C[C@@H](C)n2cncn2)cc1 12145699 VRWAPXVDDHADAJ-KDOFPFPSSA-N 380.452 2.617 0 40 GFAB CN(C)[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 12203818 VKXOYWDROLEZQN-GOSISDBHSA-N 395.459 2.575 0 40 GFAB COc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC 12917226 FJGWFLPLOBCSGF-YDHLFZDLSA-N 379.453 2.953 0 40 GFAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1 16637312 FYMPDLOYCMQTBC-LBPRGKRZSA-N 376.906 2.664 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 18128968 UWGPZVGPXSYDNT-GOSISDBHSA-N 398.334 2.916 0 40 GFAB Cc1cnc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cn1 19238846 IAZBZSMUHNTBKV-UHFFFAOYSA-N 381.461 2.617 0 40 GFAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n1 19285939 VOTPDHVGRWVIRN-HNNXBMFYSA-N 383.496 2.725 0 40 GFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)CC(C)C)C3)c2N)cc1 19446377 NMFPSFKDKIDKBA-HNNXBMFYSA-N 384.480 2.931 0 40 GFAB CCc1c(C)sc2ncn(C3CCN(C(=O)c4cnn(C)c4C)CC3)c(=O)c12 19521834 KIOOALQIMIGPRQ-UHFFFAOYSA-N 399.520 2.848 0 40 GFAB COc1ccc2c(c1)C[C@@H]([C@@H]1CCCCN1C(=O)Cc1ccccn1)C(=O)N2 19562312 GYYNNNVJHBJHOE-ICSRJNTNSA-N 379.460 2.825 0 40 GFAB Cc1nc2cc(C(=O)NC[C@H](C)N3CCOCC3)ccc2n1-c1ccccc1 19657180 WWRRKUGWKCMKJT-INIZCTEOSA-N 378.476 2.784 0 40 GFAB Cc1ccc(/C=C2\N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)c(C)c1 7397492 RNUXQZSTMUOUBH-PDGQHHTCSA-N 384.457 2.898 0 40 GFAB CCOc1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1OC(C)=O 6412383 JSBHPGYMLXEBPM-GZTJUZNOSA-N 380.425 2.781 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2ccncc2)Nc2ccccc21 100117974 MAOOWBUNQQQDIP-GNVZTASGSA-N 390.487 2.728 0 40 GFAB CCCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)c(C)n23)n(C)c1=O 4250763 BPEIIDPNTGHWSL-UHFFFAOYSA-N 379.464 2.864 0 40 GFAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(Cc3cccs3)o2)cc1 13653558 GHYKHUQSYHWLTO-UHFFFAOYSA-N 391.474 2.697 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccc([C@@H](C)O)s2)cc1 618256682 VVBRAYUFZYITRR-CYBMUJFWSA-N 396.534 2.917 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)n1 225721453 ZHUKLBSXJPVZMA-ZDUSSCGKSA-N 393.490 2.780 0 40 GFAB NC(=O)CSc1nnc(Cc2ccc3c(c2)OCCCO3)n1-c1ccccc1 101160544 GPUKTQRFZZXOBX-UHFFFAOYSA-N 396.472 2.597 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC 8220325 BWIQRIMLDUOKHA-NSHDSACASA-N 398.868 2.663 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2ccn(C)c2c1 83995852 USJXUWKPIFVHSB-LBPRGKRZSA-N 375.425 2.623 0 40 GFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCc1cccc(F)c1 21046122 CXNOIFACWBTKQM-UHFFFAOYSA-N 376.453 2.547 0 40 GFAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)NC1(c2ccccc2)CCC1 83990050 BKATUTPCBDIHJW-UHFFFAOYSA-N 383.473 2.635 0 40 GFAB COC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 4158968 GEZNBSKIVCSWNT-JTQLQIEISA-N 398.440 2.647 0 40 GFAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCC(=O)N2CCCC2)c1 32721359 XWEGEDBMLFTKDO-UHFFFAOYSA-N 379.460 2.990 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1=O 32772896 ZBAOYXOASNXISM-HIFRSBDPSA-N 393.443 2.960 0 40 GFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc3nsnc3c2)c1 7389887 SJEWDFFQVCAFMB-UHFFFAOYSA-N 398.444 2.567 0 40 GFAB Cc1ccccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 7525425 KGZMPZOQMYBYGS-UHFFFAOYSA-N 380.897 2.773 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872026 FYLZACPZJABAFL-ZDUSSCGKSA-N 380.441 2.936 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1Cl 10334589 KZENAZPQWAEFMZ-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB O=C(OCC(=O)c1ccc[nH]1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9378636 ONHKWBCZEMFOJI-UHFFFAOYSA-N 384.413 2.855 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccsc3)CC2)c1C 22373847 LBGSZCPLOZIODV-OAHLLOKOSA-N 389.521 2.869 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O 23324766 UDNLNSGVNDPHCZ-JXFKEZNVSA-N 388.851 2.685 0 40 GFAB O=C(NCCc1cccs1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 23483663 LVHJSHPJJHGASC-KRWDZBQOSA-N 378.519 2.650 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc(Cl)c1 61720242 LXCASPORUQCXKV-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)N1C[C@H](C)O[C@H](C)C1 106144934 QSADMAILZQLRPJ-LLGFUMIMSA-N 387.524 2.563 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 25405523 GYMBXWJWDRDJSZ-QGZVFWFLSA-N 377.488 2.990 0 40 GFAB CCCCN(C)Cn1nc2n(CCCOC)c(=O)c3ccccc3n2c1=S 12526718 TVDOXRORSWNEQK-UHFFFAOYSA-N 389.525 2.906 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 56154883 IAHORQFWXRXBID-JTQLQIEISA-N 376.388 2.626 0 40 GFAB Cc1occc1C(=O)Nc1cc(NC(=O)NC[C@H]2COCCO2)ccc1F 56605426 VHABOTLWHPWCGR-ZDUSSCGKSA-N 377.372 2.516 0 40 GFAB O=C(OCC(=O)N1CCCCCC1)c1cccc(I)c1 3249891 UVTZWYIUMMYCRY-UHFFFAOYSA-N 387.217 2.851 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)cc1 58180011 ZUZQDCRGIUFLBD-LLVKDONJSA-N 377.397 2.924 0 40 GFAB CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2146570 GSCKMYUEKWTRFP-SFHVURJKSA-N 375.421 2.658 0 40 GFAB biogenic COCCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 37868137 QQVGDCDFDWZVKR-UHFFFAOYSA-N 396.472 2.700 0 40 GFAB aggregator COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)cc1 2256504 WTRPMLZCROSERJ-UHFFFAOYSA-N 399.399 2.627 0 40 GFAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCN(C)C)nn12)[C@@H](C)CCC3 2200449 XUTSTAWTKRKCSX-NSHDSACASA-N 386.525 2.769 0 40 GFAB CCCCn1c(N)c(N(C)C(=O)c2cc3c(F)cccc3s2)c(=O)[nH]c1=O 8312228 LFENRQUAUMEIPS-UHFFFAOYSA-N 390.440 2.549 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 20150679 OMVZTPFBLLHGGN-KCXPTXFHSA-N 396.418 2.516 0 40 GFAB CC(C)c1ccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3313516 MMFQUGYWWSXKQU-UHFFFAOYSA-N 379.416 2.852 0 40 GFAB O=C(COC(=O)c1ccccc1I)NC1CCCCC1 3391572 STRHLNKHRZEWLA-UHFFFAOYSA-N 387.217 2.897 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 45332927 ISUPOLMNWXMWPU-UHFFFAOYSA-N 380.851 2.960 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(C(F)(F)F)cc1 12771489 DFCRYMCEGUEVTN-UHFFFAOYSA-N 397.378 2.773 0 40 GFAB COC(=O)c1cccc2c1CCCN2C(=O)CCNC(=O)c1cccc(C)c1 12744281 QTZVUBKXAGGPPD-UHFFFAOYSA-N 380.444 2.881 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1nnc(-c2ccccn2)s1 48341630 NSPVRRQZBLGXST-UHFFFAOYSA-N 378.421 2.503 0 40 GFAB CS(=O)(=O)/N=C(\O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 48481007 ADIDUYBHIWZDEH-SNVBAGLBSA-N 379.265 2.762 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3525303 XUKMUEQILFTNNR-YPMHNXCESA-N 386.370 2.680 0 40 GFAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)Nc2ccccc2SC)nn1 77197206 UZQMRFQFICAJSP-INIZCTEOSA-N 384.461 2.995 0 40 GFAB CCn1nnc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)n1 408629357 YNHXTUJLNCKSEB-UHFFFAOYSA-N 378.647 3.288 0 40 GFAB O=c1c2cc(Br)ccc2ncn1C[C@H](O)COc1ccc(F)cc1 14183554 BSLICPHXUFFFOO-ZDUSSCGKSA-N 393.212 2.738 0 40 GFAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6613091 RYPAGXLVDGPZPP-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@H](O)c1ccccc1 6658799 SNGCCCSOKLHBSG-FQEVSTJZSA-N 393.439 2.900 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(N3CCCC3=O)c(Cl)c1)CS2 14802637 BCIHGPFIRUMVHT-KBXCAEBGSA-N 393.896 2.859 0 40 GFAB COC(=O)c1cn(CC(=O)OCC(=O)Nc2ccc(F)cc2)c2ccccc12 6831338 YBUSFOZLKUEPMN-UHFFFAOYSA-N 384.363 2.749 0 40 GFAB O=C(CN1Cc2ccccc2C1=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 66856590 GQPQZRHYWWVJJB-UHFFFAOYSA-N 387.443 2.876 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1 7050504 UAPBXOCTZZVKMH-UHFFFAOYSA-N 398.366 2.656 0 40 GFAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 7061685 MHHQXQOIRGABOI-WFASDCNBSA-N 396.399 2.805 0 40 GFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1CCN(c3ccccn3)CC1)C2=O 18275956 NCMIPRCQUMYAEC-FDDCHVKYSA-N 398.551 2.795 0 40 GFAB O=C(Cn1ccc2cc(Br)ccc21)NCCCN1CCCC1=O 71280310 VDBYWKXKKIYGDT-UHFFFAOYSA-N 378.270 2.533 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCCC3)Oc3ccccc32)cc1 7871968 WQGFHBNWNMOEML-LJQANCHMSA-N 386.473 2.574 0 40 GFAB Cc1cc(-n2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)no1 8987623 YDSXFMIEKWTVPW-UHFFFAOYSA-N 386.477 2.915 0 40 GFAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CC(=O)Nc2ccccc21 9339208 IDYAALNAXFGQMK-AWEZNQCLSA-N 378.432 2.599 0 40 GFAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N([C@H](C)C(=O)NCC(F)(F)F)C1=O 9862654 YHVOAADAWYKKEA-PSLIRLAXSA-N 391.777 2.564 0 40 GFAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118913243 SHIBSTMRCDJXLN-HFSBLCNXSA-N 390.520 2.575 0 40 GFAB biogenic,in-vitro CC(C)COC(=O)N1CCN(c2ccc(C(=O)N3CCC[C@H](C)C3)cn2)CC1 95958815 KGHKYSUNJRHJBQ-KRWDZBQOSA-N 388.512 2.868 0 40 GFAB Cc1cc(OCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)ccc1Cl 27935673 KVSHWHLIVVEEOV-GFCCVEGCSA-N 383.853 2.737 0 40 GFAB O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cnc(O)c2ccccc12 548903608 HCSYXFIBIVJCAZ-HNNXBMFYSA-N 376.416 2.977 0 40 GFAB Cc1ccccc1C(=O)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306125631 CWNAACIZZJVIKT-NHCUHLMSSA-N 386.455 2.913 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408618111 BYBQKJLLOVOFMP-WQAPVAGSSA-N 390.361 2.697 0 40 GFAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 306130148 IXMTUWWPXBUGNI-KRWDZBQOSA-N 393.487 2.727 0 40 GFAB COc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38835102 LOXBIDUDKGVILS-MRXNPFEDSA-N 396.852 2.514 0 40 GFAB CCn1nccc1[C@H](C)NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619433 CRHOYOHBXBQSST-NSHDSACASA-N 379.424 2.639 0 40 GFAB COc1ccc(CCn2cc(C(=O)N=c3[nH]cc[nH]3)c3ccccc3c2=O)cc1 72324944 IADTVHINYWWQMV-UHFFFAOYSA-N 388.427 2.650 0 40 GFAB biogenic O=C(CSCc1ccccc1)NCC1CCN(C(=O)c2ccncc2)CC1 70925927 DBEVNBINLONFGZ-UHFFFAOYSA-N 383.517 2.983 0 40 GFAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCC(C(N)=O)CC1 71326428 IJYWETSEQYSGLC-UHFFFAOYSA-N 379.873 2.581 0 40 GFAB O=C1C[C@@H](n2nc(-c3ccccc3Br)oc2=S)[C@H]2CO[C@@H]1O2 135965848 PWQGUYBBFKDPCJ-IRUJWGPZSA-N 383.223 2.890 0 40 GFAB Cn1cc(OCc2ccccc2Cl)c(=O)cc1C(=O)NCc1ccccn1 49547964 JDWMOIVPQWJPIG-UHFFFAOYSA-N 383.835 2.943 0 40 GFAB Cc1cc(CNC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1 224229960 NSYNGGXICATQKA-UHFFFAOYSA-N 379.823 2.736 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)CC2=O)cc1 45388890 QNYNAEWTPXAGIS-GOEBONIOSA-N 398.459 2.943 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 223259747 SLVXMLSSVSTWKO-UHFFFAOYSA-N 382.460 2.750 0 40 GFAB CC(C)n1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O 95480746 MWUMLIJFWIXQJT-CQSZACIVSA-N 394.431 2.558 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)C1[C@@H]3CCCC[C@@H]13)C2 247918641 GKJDDDHZQNKCGK-ZHALLVOQSA-N 382.508 2.871 0 40 GFAB O=C(O)COc1ccccc1CN1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 257270985 MWKLZNGZAIFMDA-INIZCTEOSA-N 393.447 2.710 0 40 GFAB O=S(=O)(N1CCCC1)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257335586 YKXPSRJBGDEUMG-UHFFFAOYSA-N 387.509 2.740 0 40 GFAB O=C(c1onc2c1CCCC2)N1CCn2c(Cc3cccc(F)c3)nnc2C1 616513861 ZQSOXDVIFIMAEW-UHFFFAOYSA-N 381.411 2.531 0 40 GFAB COc1ccc(Br)c(C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)c1 90610617 PZVMNGZKPCQUSZ-INIZCTEOSA-N 392.249 2.856 0 40 GFAB CSc1ncccc1C(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96098300 BTJIVMBOIYWONP-CQSZACIVSA-N 376.503 2.882 0 40 GFAB CCC(=O)c1ccc(NC(=O)N[C@@H]2CCCCN(Cc3nc(C)no3)C2=O)cc1 585123701 WMWHQNSAJNKIOI-MRXNPFEDSA-N 399.451 2.674 0 40 GFAB CC(=O)NCCNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 42298633 SDEBEGWREUJJBS-UHFFFAOYSA-N 383.279 2.591 0 40 GFAB CC(C)(C)OC(=O)N1CC2(CN(C(=O)OCc3ccccc3)C[C@H]2C(=O)O)C1 91302676 JEJZCYLNCZVMPL-HNNXBMFYSA-N 390.436 2.577 0 40 GFAB in-vitro Cc1cc(C)cc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)c1 11851697 NMPFJWNIAMWBKN-JMIFQINSSA-N 377.437 2.638 0 40 GFAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 12293383 OLURAHSSWPUPKF-MOPGFXCFSA-N 397.471 2.842 0 40 GFAB Cc1ccc(-c2nnc([C@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)cn1 19215188 UMFDGOBTPKFNQS-AWEZNQCLSA-N 388.424 2.757 0 40 GFAB CN1CCc2nc([C@H]3CCCN(C(=O)c4cccc(N(C)C)c4)C3)ncc2C1 19590451 IUFCKKJUPDKURF-KRWDZBQOSA-N 379.508 2.550 0 40 GFAB CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)CC3CCN(CC)CC3)C2)no1 19693681 VHDFJVOSCOZYDV-INIZCTEOSA-N 398.511 2.527 0 40 GFAB CC(C)N1CCC(C(=O)N2CCO[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)CC1 19693837 XXPYHQXTRXRSJK-NRFANRHFSA-N 397.523 2.502 0 40 GFAB CC(C)N1Cc2cn(C)nc2[C@@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 19695688 PDRRSPVZXUAUHK-SFHVURJKSA-N 383.471 2.707 0 40 GFAB O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)CN(C2CCCC2)CCO1 19700902 XFDJBJGKXSJMER-QHCPKHFHSA-N 379.504 2.954 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(C(C)C)cs1 19714635 QNCOFLKYXUWHSI-ZDUSSCGKSA-N 398.510 2.663 0 40 GFAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccco1 19818337 HFYOHLMJLGODLQ-MSOLQXFVSA-N 397.431 2.781 0 40 GFAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3c(Cl)cnn3C)C2)on1 13226017 PKRRBHCGUXKCQO-JTQLQIEISA-N 392.872 2.908 0 40 GFAB Cc1cc(N2CCN(c3cnc4ccccc4n3)CC2)nc(N2CCCC2)n1 1889192017 OOALSLPPGAXGDH-UHFFFAOYSA-N 375.480 2.655 0 40 GFAB Cc1ncsc1C(=O)N1CCC(COc2ncc(Br)cn2)CC1 1775995820 KLOFKGXADDGVSP-UHFFFAOYSA-N 397.298 2.935 0 40 GFAB O=C(NC1CCCC1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1776001066 XVMNJFQRUAILKL-LBPRGKRZSA-N 383.290 2.982 0 40 GFAB CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21 1776010766 DXHHTBFTEXRKKB-UHFFFAOYSA-N 398.467 2.721 0 40 GFAB COc1cccc(OC)c1CN1CCO[C@@]2(CCCCN(C(C)C)C2=O)C1 2037984179 SIBUXRZNJVNHKV-NRFANRHFSA-N 376.497 2.696 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1 3283132 SRKHDVDLWDNFIQ-UHFFFAOYSA-N 383.477 2.961 0 40 GFAB O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCCC2)s1 4087902 TXOXSNDSUSALLC-UHFFFAOYSA-N 382.536 2.885 0 40 GFAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccc(C)cc1 5018355 JGKQQOXALOVLOX-CQSZACIVSA-N 390.490 2.728 0 40 GFAB O=c1c2ncccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccncc1 9001667 XDCYSQZREKFLND-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB Cc1csc(C(=O)N2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)c1 2055750805 ZPCOJVJJUOIFEU-OAHLLOKOSA-N 383.477 2.536 0 40 GFAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nc(-c2cnn(C)c2)no1 575414293 CBCVAGPHEZVEOZ-SECBINFHSA-N 396.234 2.861 0 40 GFAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20292571 DZZGUPJPTKBPJA-MANSERQUSA-N 392.386 2.514 0 40 GFAB CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)cc1 32032466 RCDXASSUIWXUCG-UHFFFAOYSA-N 394.431 2.633 0 40 GFAB Cn1nc(Cl)cc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 975947 LGBDTMCORUOULM-UHFFFAOYSA-N 376.825 2.993 0 40 GFAB Cc1cc(C)n(CCNC(=O)c2nnc(-c3cccc(Br)c3)o2)n1 20720162 SBBBIBSXRWEQBO-UHFFFAOYSA-N 390.241 2.742 0 40 GFAB O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1ccco1 20760774 XIKVUCPVBHPBGZ-UHFFFAOYSA-N 380.448 2.925 0 40 GFAB biogenic Cc1ccc(NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 4161360 FCDVUUSZVIPIIC-UHFFFAOYSA-N 389.510 2.626 0 40 GFAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1 32674520 PAIQITUSQIYBHL-CQSZACIVSA-N 389.473 2.690 0 40 GFAB COc1ccc(NC(=O)c2ccc(NC(=O)CSC3=NCCN3)cc2)cc1 2636864 IVJFZVIKRQRBAA-UHFFFAOYSA-N 384.461 2.578 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 32771388 IOVUXXABHKUSMA-UHFFFAOYSA-N 388.489 2.540 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 6608753 VTQNSYGLHQVSEH-KRWDZBQOSA-N 393.230 2.794 0 40 GFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCSCc1ccccc1 58264365 XBSYSTFHVGRVSK-UHFFFAOYSA-N 378.519 2.614 0 40 GFAB Cc1ccccc1N1C[C@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O 8039583 FGFZHSZYYKZZRA-SJLPKXTDSA-N 380.444 2.769 0 40 GFAB COc1c(I)cc(C(N)=O)cc1OCc1ccccc1 667543 OTEIVRGVPWNKOY-UHFFFAOYSA-N 383.185 2.978 0 40 GFAB COc1cc(/C=C/C(O)=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1O 101385196 PFQCYYRUIDVHIU-PDDQHUICSA-N 398.346 2.648 0 40 GFAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccs3)C2)c1 107234220 WLNBFPYKBDAKME-PKOBYXMFSA-N 390.530 2.774 0 40 GFAB COC(=O)[C@@H]1CCCN1C(=O)COc1ccc(Br)cc1Cl 677195 YZIYWESVQGXCNA-NSHDSACASA-N 376.634 2.645 0 40 GFAB COc1ccc(CCNC(=O)CCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OC 12468399 GXOROZWVWQYPEO-HOTGVXAUSA-N 376.497 2.647 0 40 GFAB COc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 100634812 FGCRNGIMEMHLIU-XFGYDDDFSA-N 391.423 2.725 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1 23805624 HGJQNBCARZCBDM-HNNXBMFYSA-N 385.445 2.847 0 40 GFAB COc1ccccc1CN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1 55683481 DWDFNQPKYXVXBE-UHFFFAOYSA-N 396.459 2.916 0 40 GFAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 34931971 CKPFBSOZZVKQRU-JXOMPUQVSA-N 391.515 2.985 0 40 GFAB COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1N1CCCC1=O 20106259 GRXXVFOQNCFIQT-UHFFFAOYSA-N 386.539 2.632 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COc1cc(C)nc(N2CCCCC2)n1 21360298 BLSAQQFLLXLYOM-UHFFFAOYSA-N 398.463 2.970 0 40 GFAB Cc1c(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2c(C)c(O)ccc12 2107340 VGKHXNSUOACOBC-LJQANCHMSA-N 395.411 2.990 0 40 GFAB biogenic COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1OC 10324302 JJATZTGTFLFZQS-LBPRGKRZSA-N 390.461 2.667 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCCN(CCc2ccncc2)CC1 36351183 DZWRRKHVFXZYKI-OAQYLSRUSA-N 378.476 2.939 0 40 GFAB COc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc3nccnc3c2)C1 11027337 IJBPFPYTICJCBU-SFHVURJKSA-N 382.445 2.749 0 40 GFAB COCCn1cc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)ccc1=O 48287874 LPUGDUBACCEUFJ-ZDUSSCGKSA-N 393.281 2.618 0 40 GFAB Cc1ccc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(C)c1 12825229 LOAQPMISMOQTOJ-GOSISDBHSA-N 390.443 2.639 0 40 GFAB COc1ccc(N(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(=O)c2ccco2)cc1 13142097 YXUQDXNUFPAGGP-IAGOWNOFSA-N 380.400 2.844 0 40 GFAB COc1ccccc1CCNC(=O)CCSc1nc(Cl)nc2nc[nH]c12 13550340 PEAIQHSJNUMLRI-UHFFFAOYSA-N 391.884 2.856 0 40 GFAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3cccs3)ccc21 13691387 GTPSUDILWUGSAH-HNNXBMFYSA-N 384.461 2.682 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)C)Oc3ccc(Cl)cc32)cc1 64986104 OZFJVALYGGQMLN-QGZVFWFLSA-N 394.880 2.693 0 40 GFAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN(C)C 5271955 MLIZVZOJQHORGJ-GFCCVEGCSA-N 392.883 2.770 0 40 GFAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)cc1 13944304 QJLGCFMMFIFXLX-NSHDSACASA-N 384.417 2.913 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC 408696544 CCYOUUDLXRBJMF-UHFFFAOYSA-N 391.449 2.803 0 40 GFAB COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N(C)C)=N1 4623608 QUGGMKYIGIRZLW-ZDUSSCGKSA-N 392.790 2.971 0 40 GFAB Nc1nc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n[nH]1 6605911 KWKWYMJBJPJBOO-JTQLQIEISA-N 390.519 2.980 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 6764476 YJKSXYSULKKGQR-UHFFFAOYSA-N 387.486 2.696 0 40 GFAB CN(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1N1CCOCC1 15038263 DSMMPAKCHJIWHB-UHFFFAOYSA-N 375.419 2.872 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6928887 STZXYKYIMAPQGU-RDJZCZTQSA-N 391.464 2.809 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 67106171 KCLHTFSHRLKYKO-DOMZBBRYSA-N 387.802 2.749 0 40 GFAB CCOC(=O)C1=C(C)N=C(SCC(=O)O)N[C@H]1c1ccccc1OCC 408988346 HRMBKONLLYBXIT-INIZCTEOSA-N 378.450 2.741 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2ccco2)o1 7328438 SOVKOAPCHNLPCT-LBPRGKRZSA-N 387.417 2.720 0 40 GFAB CN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(Br)s1 8165109 ZPVBHHLCWWNEHV-UHFFFAOYSA-N 397.294 2.988 0 40 GFAB O=C(Nc1ccc(CN2CCCC2=O)cc1)Nc1cnn(C[C@H]2CCCO2)c1 97174030 SEFXFWQGZIAEOC-GOSISDBHSA-N 383.452 2.829 0 40 GFAB Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 306141135 VMBBJOQEMQLSOX-LEWJYISDSA-N 386.455 2.913 0 40 GFAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCc1csc(-c2ccccc2)n1 56900988 NCOGZJRYAZOLFI-UHFFFAOYSA-N 392.440 2.943 0 40 GFAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCOCC1 408560224 FKHXOFVQUQWTSY-UHFFFAOYSA-N 396.516 2.993 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C)cc1C 33680126 FNTQLQWTBNEIHB-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(=O)c2ccccc2o1 70762367 MGQSYGVFECGROT-GOSISDBHSA-N 377.318 2.973 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217531987 WVCNMKVMTCQZPE-UONOGXRCSA-N 392.477 2.871 0 40 GFAB O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1cnc[nH]1 40395844 NCZSSHXWWCOXJM-UHFFFAOYSA-N 391.822 2.725 0 40 GFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)/C=C/c2cccs2)CC1 43986537 BDHORZQZRMHTIX-SNAWJCMRSA-N 376.507 2.590 0 40 GFAB C[C@@H](CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 224005643 SNJRMVHVTJCERQ-LSDHHAIUSA-N 378.469 2.900 0 40 GFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 192308916 ULQUTVDILPRDPV-UHFFFAOYSA-N 378.881 2.795 0 40 GFAB C[C@H](C(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1)c1ccccc1 225762669 DODBTAXVBFFTTG-AWEZNQCLSA-N 395.434 2.796 0 40 GFAB Cc1ccccc1OCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223634894 WFGNASRCZUNCIH-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB Cc1cccc(CS(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1 77099722 SLBHBUCQFCSYGK-UHFFFAOYSA-N 376.478 2.560 0 40 GFAB C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccc(-n2cccn2)cc1 225603503 VGLOZYRLWPUMCQ-OAHLLOKOSA-N 383.473 2.717 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 224065464 FVICSXZCACFLFP-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB O=C(NC1CCCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95476292 RLQYJNCINQKIFR-SNVBAGLBSA-N 391.269 2.737 0 40 GFAB O=C(Nc1ccc(-n2nnnc2O)cc1)c1c(F)cc(C(F)(F)F)cc1F 578406764 FWGSVCJXCUHMLL-UHFFFAOYSA-N 385.252 2.917 0 40 GFAB CNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 144692049 QVZYIAAXCZLXQP-UHFFFAOYSA-N 387.288 2.930 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 583652538 AEXJTUPAZXZRHG-CRAIPNDOSA-N 380.444 2.860 0 40 GFAB CCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCCc3ccc(C)s3)C2)n1 257288561 PURJXQUWAUMHFC-MRXNPFEDSA-N 388.537 2.874 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 253400262 KXNRQNVUIYLFTA-FQEVSTJZSA-N 398.551 2.950 0 40 GFAB biogenic,in-vitro N=c1ccc2c(N3CCO[C@@H](c4cccc(OC(F)(F)F)c4)C3)ncnc2[nH]1 606443871 WPRRJXQKTRVOBS-CQSZACIVSA-N 391.353 2.914 0 40 GFAB CC(=O)N1CCN(C(=O)c2sccc2-n2cccc2)CCC12CCOCC2 1615545977 DJEKSJWBBSZLHA-UHFFFAOYSA-N 387.505 2.782 0 40 GFAB COC[C@H]1C[C@@H](O)CN1C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 650730517 ADFOBIYCZJNUBJ-FVQBIDKESA-N 375.494 2.971 0 40 GFAB Cc1ncc2c(n1)CC[C@@H](NC(=O)N[C@H](Cc1ccccc1)c1ncco1)C2 654364975 OJEQCSVOXJMQSF-IEBWSBKVSA-N 377.448 2.914 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N4CCN(CC(C)(C)O)CC4)ccc32)c1 668379371 ATGPXTTZSIZXNS-UHFFFAOYSA-N 392.503 2.863 0 40 GFAB COc1ccc(NS(=O)(=O)CCOc2ccccc2)cc1N1CCCC1=O 96025617 MBWPZGBEFZOKKB-UHFFFAOYSA-N 390.461 2.643 0 40 GFAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 575405732 ZMXXWFSTPMPEQN-GHTZIAJQSA-N 394.471 2.610 0 40 GFAB CCC(=O)c1ccc(NC(=O)N[C@H]2CCCCN(Cc3nc(C)no3)C2=O)cc1 585123700 WMWHQNSAJNKIOI-INIZCTEOSA-N 399.451 2.674 0 40 GFAB O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCN(Cc2ccccn2)CC1 55069521 OOYPZBWQZDMMNV-HNNXBMFYSA-N 390.896 2.634 0 40 GFAB CC1(C)Cc2cc(S(=O)(=O)NCc3cc(Br)no3)ccc2O1 1664046493 YJFQFRFWAMUCDT-UHFFFAOYSA-N 387.255 2.629 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCC)cc2)n(C)c1=O 12373997 HZTSAPPNBLLPGN-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB COc1ccccc1OCCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 13003796 KARLGNPHYIGXNI-GOSISDBHSA-N 382.460 2.547 0 40 GFAB COc1cc(C(=O)Nc2c(C)cccc2C)c(N(C)S(C)(=O)=O)cc1OC 13582564 UVWPKJNSOQOVQE-UHFFFAOYSA-N 392.477 2.969 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)ccc21 15836648 VBSOOMFZKTWCBY-HNNXBMFYSA-N 376.409 2.796 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3C)ncc2C1 19079334 PCLAPBBDRZLSPW-QAPCUYQASA-N 396.491 2.604 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1OC 19577582 FLNYBEUCPHRZRR-UHFFFAOYSA-N 389.424 2.733 0 40 GFAB Cn1cc(-c2cc(C(=O)N3CCN(c4nc5ccccc5s4)CC3)on2)cn1 19664687 WXOKRFCBUZPRBS-UHFFFAOYSA-N 394.460 2.647 0 40 GFAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cnn(C)c2)CCO1 19696792 NWRYBCMPXKTAHR-MRXNPFEDSA-N 384.505 2.910 0 40 GFAB O=C(NC1CCCC1)c1ccc(C2CCN(C(=O)c3csnn3)CC2)nc1 19708303 LMCFPDDLJOQHAN-UHFFFAOYSA-N 385.493 2.625 0 40 GFAB O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccc(N2CCCCC2)cc1 19716077 RFVHQEMCVBHIKY-JOCHJYFZSA-N 394.519 2.875 0 40 GFAB O=C1NCC2(CCC(C(=O)NC[C@H]3CCCO3)CC2)Oc2ccc(Cl)cc21 12087230 LNTYQFWAMDZXGO-KLSXAPCHSA-N 392.883 2.686 0 40 GFAB COc1ccc(C2(CN3CCC(NC(=O)c4n[nH]cc4Cl)CC3)CC2)cc1 12221386 VUQQYDRYFYOSMR-UHFFFAOYSA-N 388.899 2.998 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)[C@H]4CCCO4)CC3)nc2cc1OC 12230830 IBIYMWVRKYTWQC-QGZVFWFLSA-N 385.464 2.719 0 40 GFAB O=C1NC[C@]2(CCCN(C(=O)CCCc3ccncc3)C2)Oc2ccccc21 19374755 HJPHROWTSFNXLL-QFIPXVFZSA-N 379.460 2.588 0 40 GFAB CCCc1nc2c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c(=O)n2n1 1889077173 RWLHOSVBETWQDQ-UHFFFAOYSA-N 391.431 2.644 0 40 GFAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)C4CC(F)(F)C4)C3)C2=O)n1 1565546787 KGDXVGRYKCKOMG-LJQANCHMSA-N 377.435 2.776 0 40 GFAB Cc1ccc(Cn2nnc3c(SCC(=O)NC4CCCC4)ncnc32)cc1 4268864 KNFXAPVNBGXPTR-UHFFFAOYSA-N 382.493 2.729 0 40 GFAB COC(=O)C[C@@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)N1CCCCC1 4770162 ASQROVDQDYCCMT-AWEZNQCLSA-N 384.860 2.713 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2C1=O 8961650 OQPFUIPTFVTQEB-UHFFFAOYSA-N 378.425 2.622 0 40 GFAB Cc1ccc(N2CCn3c(SCC(=O)Nc4nnc(C)s4)nnc32)cc1 9651623 BDFUKYOMFCMBDV-UHFFFAOYSA-N 387.494 2.629 0 40 GFAB COc1cccc(C(=O)NCCCn2nc(-c3cccs3)ccc2=O)c1OC 11738435 UWMLQXBLTKXKPW-UHFFFAOYSA-N 399.472 2.809 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)on1 13597063 CVXSZYFAAYRCBS-GFCCVEGCSA-N 383.857 2.676 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 35598334 JNBQNFYRLKBJEB-UHFFFAOYSA-N 391.475 2.522 0 40 GFAB O=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 44226564 HKBVKZHWISAYNV-UHFFFAOYSA-N 381.354 2.872 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(OC)cc2=O)cc1F 49407647 ZHQBKLJORCPVLM-UHFFFAOYSA-N 387.342 2.780 0 40 GFAB CC(C)c1nc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cn1C 575620951 WXUKBAMOUKXYCF-UHFFFAOYSA-N 377.495 2.541 0 40 GFAB Fc1ccc(-n2ncc3c(N4CCOCC4)nc(NCc4ccco4)nc32)cc1 38486263 UZKQDNRONAKAJH-UHFFFAOYSA-N 394.410 2.996 0 40 GFAB COc1ccc([C@H](NC(=O)COC(=O)c2c(C)noc2N)c2ccccc2)cc1 15513459 OOYJUOMNADVGAH-LJQANCHMSA-N 395.415 2.636 0 40 GFAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)=NN1c1ccccc1 30662637 WRDRBVOIZJUAQR-FQEVSTJZSA-N 391.475 2.736 0 40 GFAB COC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100909429 OAQUZBGICZJULB-RDJZCZTQSA-N 397.818 2.556 0 40 GFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1cccs1 15934621 XJRRZOUVJXOGHR-MRXNPFEDSA-N 378.519 2.681 0 40 GFAB COc1ccccc1CCC(=O)NCCNC(=O)c1cn(C)c2ccccc12 32104724 VFEHHLVYKHVRHU-UHFFFAOYSA-N 379.460 2.666 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 4352355 HWKFLJVGROJNGN-UHFFFAOYSA-N 396.399 2.534 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 6326767 IKBIDFJXMHHHDA-MRXNPFEDSA-N 390.505 2.877 0 40 GFAB O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(F)cc1 6889032 FWOLXYDLDXANIQ-UHFFFAOYSA-N 394.196 2.744 0 40 GFAB COc1ccc2cc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)c(C)nc2c1 10548985 DUODOSWHOSBBBN-UHFFFAOYSA-N 399.472 2.853 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 8051079 YESPTCQKGNGMKT-UHFFFAOYSA-N 389.477 2.830 0 40 GFAB Cc1nc(COc2ccc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)cc2)no1 12073583 LNBCJGXYPBIWGH-CQSZACIVSA-N 387.436 2.761 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325520 MUUOLMXANSUAKX-INIZCTEOSA-N 399.472 2.741 0 40 GFAB CC[C@@H](CO)n1cc2c(c1-c1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C 33542349 ZFCNZEOTUUHKOK-NSHDSACASA-N 396.274 2.956 0 40 GFAB CCCCCN(C(=O)C1=NN(C)C(=O)CC1)c1nc(C)c(C(=O)OCC)s1 54215865 FVUBYRCAFOPDQC-UHFFFAOYSA-N 394.497 2.760 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1 23458036 BTINNSXXYGKHDC-UHFFFAOYSA-N 388.493 2.827 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC 20489101 ZFQZMSOEKPYZFA-UHFFFAOYSA-N 392.477 2.656 0 40 GFAB CCOc1ccc(-c2noc(CN3CCC[C@H]3C(=O)NCC(F)(F)F)n2)cc1 54991940 HMISPFCZSLEFSH-AWEZNQCLSA-N 398.385 2.778 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 12525517 PMQWXYWVPICIAK-KRWDZBQOSA-N 390.509 2.515 0 40 GFAB CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 24760741 YYWIPFIVXOSLKO-JLHYYAGUSA-N 382.416 2.668 0 40 GFAB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 57316536 AAZBXTNLIHYWQO-UHFFFAOYSA-N 397.247 2.904 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1F 24924856 UPBVKLNMAZZEQM-MRXNPFEDSA-N 394.450 2.962 0 40 GFAB CC(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 25168592 VOCNEIYTVUUZPQ-UHFFFAOYSA-N 376.478 2.986 0 40 GFAB C[C@H](NC(=O)CNc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1 12594903 DYCOQUKATNLUHS-WMZOPIPTSA-N 381.476 2.885 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)nc1 25394045 TWLRVIQQHUPNTP-IBGZPJMESA-N 397.479 2.703 0 40 GFAB O=c1/c(=C/c2cccc(Cl)c2)sc2nc([C@H]3COc4ccccc4O3)nn12 27021063 ICYIBZLUKGNOGC-AVIKPIRVSA-N 397.843 2.865 0 40 GFAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 27594548 LENBNVUKJOMHGX-FUHWJXTLSA-N 387.455 2.690 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)OCc3nc4ccsc4c(=O)[nH]3)cc2NC1=O 12623273 JWSAJUGQIQBIES-QMMMGPOBSA-N 387.442 2.774 0 40 GFAB CCOC(=O)c1ccc(NC(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1 48013581 KVTAVRRVHMLSNW-UHFFFAOYSA-N 391.449 2.557 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1Cl 12764441 QNXGQFLYDKLOOM-INIZCTEOSA-N 378.881 2.510 0 40 GFAB COc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2ccco2)cc1 36646218 CZGNPSULICQZML-UHFFFAOYSA-N 386.477 2.960 0 40 GFAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12818786 PCJQPYAXLZSFDN-UHFFFAOYSA-N 382.501 2.923 0 40 GFAB C[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 3472256 JULSMZVHCYPJHG-GFCCVEGCSA-N 395.367 2.748 0 40 GFAB CC(C)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)s2)cc1 16695317 MENJIJKDWGMISU-AWEZNQCLSA-N 394.522 2.691 0 40 GFAB COc1cccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 12996356 CBVSOMOJLMSULE-UHFFFAOYSA-N 383.473 2.731 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12973305 JOXWPIRCMGQKRW-CQSZACIVSA-N 378.432 2.898 0 40 GFAB COc1ccc(CCNC(=O)CCSc2nc(Cl)nc3nc[nH]c23)cc1 8992679 LWWRFALLAVSNBE-UHFFFAOYSA-N 391.884 2.856 0 40 GFAB COCCOC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)N[C@@H]1c1ccc(F)cc1 13097110 DMTJOZCNAQQJSC-SJLPKXTDSA-N 392.427 2.535 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cn3nc(C)sc3=S)CC2)c1 13063467 RXHQXIZBDSHQBE-UHFFFAOYSA-N 398.579 2.563 0 40 GFAB COc1ccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408703358 QBDNBVUHGHRKCC-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB O=C(O)/C=C/C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 13624863 VDVUGOMPHNCACZ-SQUSKLHYSA-N 395.802 2.765 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)OCCN3C(=O)c4ccccc4C3=O)c2O1 6032658 QQRCDESPWQKWCX-UHFFFAOYSA-N 395.411 2.618 0 40 GFAB NC(=O)[C@@H]1CN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCO1 65174863 UAOWHKYOWZFFDL-VIFPVBQESA-N 392.786 2.900 0 40 GFAB COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 4316865 GSTVSNZPDWUWBZ-YBEGLDIGSA-N 385.807 2.880 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)OCCCC(=O)c2ccc(F)cc2)c1 6384692 OMZBMGMOJCHANH-UHFFFAOYSA-N 393.436 2.896 0 40 GFAB O=C([C@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1)N1CCCCC1 14167600 YILFZMNGJKLHAL-MRXNPFEDSA-N 392.502 2.717 0 40 GFAB CC(C)CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6719213 JWWJUSYNLMSTBM-ZIAGYGMSSA-N 382.507 2.536 0 40 GFAB COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 15226653 HKUBDKFWKBBYDB-CYBMUJFWSA-N 397.460 2.993 0 40 GFAB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCC(N)=O 96840027 XMGZUNDODSMPJL-RIYZIHGNSA-N 386.791 2.557 0 40 GFAB CCOC(=O)c1sc2nc(C)nc(N3CCC(n4ccnn4)CC3)c2c1C 95456958 ZNZRQDSYSVIKML-UHFFFAOYSA-N 386.481 2.918 0 40 GFAB CNC(=O)c1cc(Br)ccc1NCC(=O)N1CCc2ccccc21 89391738 ORRSOIDOHZZVJH-UHFFFAOYSA-N 388.265 2.810 0 40 GFAB CN1CCN(Cc2cnn(C)c2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 306128859 HMXAWWDOJJGSIW-LJQANCHMSA-N 393.520 2.680 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 20017588 OFAGRTTUIHYHAD-UHFFFAOYSA-N 382.379 2.845 0 40 GFAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N(C)C 20024862 QXJJNVRXOTVEGX-KRWDZBQOSA-N 388.489 2.753 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@]12CN(C1CCC1)C[C@H]2c1cccnc1 306141424 VVQFIAMMUKICLE-FPOVZHCZSA-N 383.517 2.893 0 40 GFAB O=C1c2c(CNCc3cccc(Cl)c3)nnn2CCN1CCc1ccccc1 306145106 ZYGSJDRCILVIAP-UHFFFAOYSA-N 395.894 2.920 0 40 GFAB Cc1cc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)ccc1-n1cccn1 515152827 IYXHIPSTHQDNQK-KRWDZBQOSA-N 381.436 2.901 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)N1CCCN2c3ccccc3C[C@H]2C1 516359381 MOGWVOSMBQEEGB-IBGZPJMESA-N 388.475 2.614 0 40 GFAB CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ncc(-c3ccccc3C)o2)C1=O 533818670 GQLBLPQOUFIWAL-FQEVSTJZSA-N 379.420 2.741 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC(OCCO)CC1 533857106 BTXPYUXHDAOVKP-UHFFFAOYSA-N 389.496 2.708 0 40 GFAB CCOC(=O)C[C@@H](c1cccc(Br)c1)c1oc(CO)cc(=O)c1O 71283089 KTICPVFXXSYIKR-ZDUSSCGKSA-N 397.221 2.685 0 40 GFAB CCc1nn2c(C)c(C(=O)N3CCN(C)CC3)cnc2c1-c1ccc(OC)cc1 38829741 HCWWLEKTJKHMTD-UHFFFAOYSA-N 393.491 2.663 0 40 GFAB O=C(C[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O)Nc1ccccc1F 71283459 KMYZGPQUKIINSU-MRXNPFEDSA-N 385.439 2.677 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC(C)C)cc2)cc1 30868325 JARPDKMHQSHJMA-UHFFFAOYSA-N 390.505 2.719 0 40 GFAB COc1cccc([C@H]2C[C@H](NC(=O)N3CCN(c4ccnc(C)n4)CC3)C2)c1 560559968 KHUSXYZPFHFZJL-IYARVYRRSA-N 381.480 2.571 0 40 GFAB O=C(Cc1ccc(-n2cnnc2)cc1)N1CCO[C@H](CCc2ccccc2)C1 564872284 KNULJXACDOBNGJ-OAQYLSRUSA-N 376.460 2.670 0 40 GFAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2CC(=O)N2CCCC2)c1 72376835 GDWCUFXIFMFYGE-IBGZPJMESA-N 395.507 2.884 0 40 GFAB CCN(CC)[C@@H](C)CNC(=O)c1ccc(F)cc1I 48106181 WYOCSFDDQLTGKY-JTQLQIEISA-N 378.229 2.890 0 40 GFAB COc1ccc([C@H](CC(=O)N(C)c2ccc(C)c(C)c2)NS(C)(=O)=O)cc1 225953909 OBYKCTDCLJEUCT-IBGZPJMESA-N 390.505 2.955 0 40 GFAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCOCC1 137501875 IAQKDXOUMNZYNE-UHFFFAOYSA-N 395.540 2.502 0 40 GFAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)cc1 223980322 FVIGEDUZTAVWSW-ZDUSSCGKSA-N 398.510 2.571 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 223302687 APXCEEOCYAZVPH-UHFFFAOYSA-N 396.399 2.639 0 40 GFAB COc1ccccc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225545799 LOWIUTHSDPVAGH-UHFFFAOYSA-N 398.488 2.726 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225672270 DBUIICNKCUSSLB-UHFFFAOYSA-N 392.458 2.578 0 40 GFAB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)cc1 224868961 TWBJZELRNCPZCR-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCC(=O)OC)s1 224231853 YENPNPJBXZTWAT-JTQLQIEISA-N 381.479 2.772 0 40 GFAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3nccs3)C[C@H]21 514288648 LJBBFFVIZYGILA-OCCSQVGLSA-N 383.395 2.879 0 40 GFAB biogenic,in-vitro CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc(F)c1 96518285 VRFRXHDZLMOMMO-JTQLQIEISA-N 390.601 2.771 0 40 GFAB CN(C)CC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 257213368 CHGIWIAJJNPXFW-UHFFFAOYSA-N 385.533 2.613 0 40 GFAB Cc1ccc2nc(CN(Cc3ccc(-c4nn[nH]n4)cc3)C(C)C)cc(=O)n2c1 1605893720 MLQJLNINDWMFNC-UHFFFAOYSA-N 389.463 2.594 0 40 GFAB C[C@H](CNC(=O)c1cc(C(F)(F)F)cnc1O)N1CCc2ccccc2C1 635245118 GNMWMNAHLZDXPO-GFCCVEGCSA-N 379.382 2.983 0 40 GFAB CC(C)Sc1ccc(CC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 390830082 IPCRRCNIRDPRFJ-INIZCTEOSA-N 396.520 2.562 0 40 GFAB O=C(c1nc2ccccc2s1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104256 JQGSUZGMZBGQPJ-UHFFFAOYSA-N 376.434 2.734 0 40 GFAB COc1cccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 57432228 AWNLXWDENLXAGI-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB NC(=O)c1cccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 67043745 QCUJNPGCNJEJTQ-QGZVFWFLSA-N 391.830 2.861 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 5329544 FPAAGWFZOAHAOX-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB COc1cc(/C=C/c2nc(SCC(=O)O)nnc2C)cc(OC)c1OC 5749301 SHVQEJYJPUIQDT-AATRIKPKSA-N 377.422 2.553 0 40 GFAB Cc1cc(C)n2nc(CC(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)nc2n1 12116138 SZDBTPBGDVDUJK-KRWDZBQOSA-N 389.463 2.914 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@]34C=C[C@H]2O4)c1 13624154 PWNRLDPQVXUNFA-QTQZEZTPSA-N 379.416 2.525 0 40 GFAB CCN1CCc2nc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)sc2C1 15880191 NZKWYBVADSMQIR-UHFFFAOYSA-N 393.534 2.956 0 40 GFAB Cc1nn(C(=O)COc2ccccc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 16975994 XPNULDDJWBSLCQ-UHFFFAOYSA-N 391.493 2.640 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 19020321 XLAOIEIMFMGGEP-UWJYYQICSA-N 395.459 2.582 0 40 GFAB O=C(c1cc2c(F)cccc2[nH]1)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1 19345257 VNFODIHIUXYIDR-NSHDSACASA-N 378.367 2.777 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)cn1 19525015 AALMLUZETBHMGY-UHFFFAOYSA-N 393.538 2.797 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nnc(C4CCN(C)CC4)n3CC1)CCCC2 19708990 CAVMCELOVONKMX-UHFFFAOYSA-N 397.523 2.566 0 40 GFAB CNCc1cc(NC)nc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 19760424 QOGHJYAOWHWHAK-SFHVURJKSA-N 378.480 2.625 0 40 GFAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCc3ccncc3)n2)c1 12089027 FGLVTVXZTFXRPT-ZWKOTPCHSA-N 377.448 2.669 0 40 GFAB COc1cc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)ccc1OCCO 19550243 WVFOOJWYUUJCGK-FCHUYYIVSA-N 396.531 2.958 0 40 GFAB Brc1cnc(NC2CCN(c3ncnc4c3CCCC4)CC2)nc1 585149440 SGEDWSNUBNHBPX-UHFFFAOYSA-N 389.301 2.989 0 40 GFAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)NCCC1=CCCCC1 4486718 ZFWNEANSIPKBCU-CQSZACIVSA-N 394.493 2.610 0 40 GFAB O=C1[C@H]2CN(c3ncc(C(F)(F)F)cc3F)C[C@@H]2C(=O)N1Cc1ccccc1 1888876496 IKZJZJHVUIPZRY-KBPBESRZSA-N 393.340 2.861 0 40 GFAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)n1 1888903894 RAVVXCOGIHHTFL-UHFFFAOYSA-N 376.342 2.529 0 40 GFAB Cc1nc(C)c(CN2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)s1 1889148819 ZCFNBNCVPZBMNV-UHFFFAOYSA-N 384.509 2.994 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3[C@H]4CC[C@H]3CC(n3nccn3)C4)CC2=O)cc1C 238874079 NPMFUALFZBHLEY-WDSOQIARSA-N 393.491 2.643 0 40 GFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c5c(cccc35)CC4)ccc21 1076410 HYBJFFLKZTYWFB-UHFFFAOYSA-N 393.468 2.930 0 40 GFAB CCOc1ccc(N(C(=O)COc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 4165357 YYQYWWVFQAZHKJ-KRWDZBQOSA-N 387.457 2.808 0 40 GFAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc([C@H]4CNC(=O)C4)cc3)cc2)n1 4727359 HFJRSGKIPXOHFI-MRXNPFEDSA-N 396.472 2.585 0 40 GFAB CCc1ccccc1NC(=O)Cn1ccn(-c2cc(C)cc(C)c2)c(=O)c1=O 8588306 UADIRTIUIBGXHL-UHFFFAOYSA-N 377.444 2.817 0 40 GFAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cnn(Cc3ccc4c(c3)OCO4)c2N1 12375128 HVPUTSXDSAHFIN-AWEZNQCLSA-N 391.383 2.863 0 40 GFAB CCS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc2C1 17316628 RLWMPKWBJYIDEC-UHFFFAOYSA-N 376.453 2.715 0 40 GFAB CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(C)CC3)c(O)n2n1 22577950 QQQNOVQYMYTFKP-HNNXBMFYSA-N 393.463 2.674 0 40 GFAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC[C@H](n2cnc3ccccc32)C1 585149331 IUTCYKZZMQUUMS-KRWDZBQOSA-N 393.472 2.858 0 40 GFAB Cc1cc(CN2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)on1 40091991 YSWKKPLTZVVRFD-UHFFFAOYSA-N 385.855 2.985 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NC2CCCCC2)c(Br)s1 30287900 IZDHZTATIQLEFO-UHFFFAOYSA-N 382.301 2.908 0 40 GFAB COc1ccc2cc(CNC(=O)[C@]3(C)CC(=O)N=C4C=CC=CN43)ccc2c1 40158598 PTMBVZKZHYEYRH-QFIPXVFZSA-N 375.428 2.938 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccccc3F)CC1)C(=O)C2 100862686 BPXNLJUCFQEUQC-MGPUTAFESA-N 394.512 2.673 0 40 GFAB COc1ccc2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2c1 815444 CUQTWNSGLGXHAN-UHFFFAOYSA-N 376.459 2.858 0 40 GFAB Cc1noc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)n1 101857952 HKJPIXATSOYNDI-LBPRGKRZSA-N 398.444 2.770 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885328 HPUXACWYEUDBLN-FOUBCARRSA-N 396.418 2.516 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885382 NAZXNBZGXAPWPN-ORGXJRBJSA-N 396.418 2.598 0 40 GFAB CC(C)CCNc1nc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cs1 7353189 YFXDGSAJUNFPQB-UHFFFAOYSA-N 396.494 2.557 0 40 GFAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc(CN2CCCC2)cc1 32796010 PGEUVTWQFPOAKE-UHFFFAOYSA-N 380.423 2.770 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 8039637 CTJQXUBVNKUDHV-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1 8180947 VFAOIEUDXOSAJK-UHFFFAOYSA-N 396.468 2.942 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCOc2cccc3ccccc23)c1 54592095 UYTHSOJBHQOSRM-UHFFFAOYSA-N 398.484 2.899 0 40 GFAB O=C(NCc1ccco1)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 102623353 KJDXXVXBZRNICE-JLUCKKNBSA-N 386.429 2.733 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl 100307616 WGFHSIVDHDSQFC-WFILCITHSA-N 377.227 2.691 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c1 780470 AWGQRFZLVWEZBG-UHFFFAOYSA-N 396.487 2.915 0 40 GFAB Cc1ccccc1CN1CCC(NC(=O)c2ccc(-n3ccnc3)nc2)CC1 53968251 QUVSNYVJKMLYOJ-UHFFFAOYSA-N 375.476 2.970 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CSc2cccs2)cc1 23171959 KOKZRSMQQKKWTR-UHFFFAOYSA-N 398.575 2.984 0 40 GFAB CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O 12411440 KVQYKZAGHFWBBH-YBEGLDIGSA-N 395.415 2.631 0 40 GFAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(F)c(C(N)=O)c3)n2)cc1 25145470 XNNVMDXXSMPOTL-UHFFFAOYSA-N 398.394 2.945 0 40 GFAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 12550826 GUANTPYXMYMIEP-LLVKDONJSA-N 378.416 2.925 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 3237709 KGFCTCALJXMDQI-UHFFFAOYSA-N 396.490 2.574 0 40 GFAB CCOc1ccc(Nc2nnc(SCc3ccc(OC)cc3)n(N)c2=O)cc1 28535211 FGHAPMQUULVDJA-UHFFFAOYSA-N 399.476 2.795 0 40 GFAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cccs3)CC2)cc1 58229787 HDWIVJCQAHLXNX-UHFFFAOYSA-N 378.519 2.941 0 40 GFAB CCCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2158520 MRANCLJERLPCHE-ZDUSSCGKSA-N 381.812 2.763 0 40 GFAB biogenic CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](C(=O)O)c3ccccc3)c12 2156053 HLZDGQVMTFNNGF-OAQYLSRUSA-N 395.411 2.985 0 40 GFAB biogenic Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCCN(C(N)=O)CC1 58308623 DWCOCUGAIJGGNC-UHFFFAOYSA-N 378.885 2.999 0 40 GFAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1O 20151757 WSBHQICVODLYEZ-UHFFFAOYSA-N 395.234 2.980 0 40 GFAB COc1cc(CNS(=O)(=O)Cc2cccc(Cl)c2)cc(OC)c1OC 10543881 AUMYOORJHYZNGX-UHFFFAOYSA-N 385.869 2.985 0 40 GFAB COc1ccccc1[C@H]1NC(=S)N2[C@@H](c3ccccc3OC)NC(=S)N12 2372302 GHBKWSHWQIPQLU-HOTGVXAUSA-N 386.502 2.696 0 40 GFAB CN1CCCN(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 36435384 CVKJKOAIAPILOP-IBGZPJMESA-N 375.563 2.921 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 28729572 OCHCHPPHKCITSH-AWEZNQCLSA-N 388.942 2.665 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12796806 GWJPQNIKFCCYNS-AWEZNQCLSA-N 388.489 2.898 0 40 GFAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1S(N)(=O)=O 12873334 WMPXHTBYQIHNKE-UHFFFAOYSA-N 384.461 2.697 0 40 GFAB O=C(NCCCNC1=NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 3668612 SLXJPIDBGXZEPB-UHFFFAOYSA-N 393.468 2.698 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccs2)c1 17112553 JRUAETXRAWROSP-MRXNPFEDSA-N 398.448 2.679 0 40 GFAB CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2nc3ccccc3nc21 17364547 DNBNBPPQCPOROR-UHFFFAOYSA-N 396.472 2.520 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)c(F)c2F)cc1 6058694 VPYGNJFKPHZVPV-UHFFFAOYSA-N 395.366 2.819 0 40 GFAB COc1cc2cc(C(=O)NCCCC(=O)Nc3nccs3)[nH]c2cc1OC 13718695 IRMSJYKHBFCHKN-UHFFFAOYSA-N 388.449 2.790 0 40 GFAB Cc1ccccc1SCC(=O)OCC(=O)Nc1ccc(C(=O)N(C)C)cc1 5206997 XKAJMJCXUSGPLX-UHFFFAOYSA-N 386.473 2.971 0 40 GFAB Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1F 13956766 AONUNEHMCCVMRK-UHFFFAOYSA-N 391.403 2.580 0 40 GFAB Cc1cc(C)c(-c2[nH]nc3c2[C@H](c2cccc(O)c2)N(CCO)C3=O)c(O)c1 5343549 TXMRTUGJGJKEDT-FQEVSTJZSA-N 379.416 2.642 0 40 GFAB O=C(CCCOc1cccc(Br)c1)NCCC(=O)N1CCCC1 14170786 IKXTTZLMFXKWJT-UHFFFAOYSA-N 383.286 2.737 0 40 GFAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cccc3ccccc23)C1=O 8718908 KVYCLZSVZHLXKQ-JOCHJYFZSA-N 398.426 2.783 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C 5538094 SMHKIMKMWGYHLR-UHFFFAOYSA-N 394.383 2.772 0 40 GFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 20110935 FNLULHRGLOHTNT-HNNXBMFYSA-N 376.478 2.556 0 40 GFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(C)c2C)C1=O 5797936 PKRJJIPZIICAOW-NRFANRHFSA-N 383.448 2.691 0 40 GFAB Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc(S(=O)(=O)N(C)C)c1C 67091322 VTZBTGKMXAUFII-QZTJIDSGSA-N 390.480 2.979 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccco1 408619744 IUYHPYCULDKGIG-UHFFFAOYSA-N 392.477 2.540 0 40 GFAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCN(C(=O)c2cccs2)CC1 7457279 USVDXRYAFBMIAI-UHFFFAOYSA-N 395.528 2.822 0 40 GFAB Cc1ccc(-c2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)cc1 19679643 XONPTRPQVOZUIJ-UHFFFAOYSA-N 379.489 2.800 0 40 GFAB CC(C)(C)OC(=O)N1CCc2ncn(Cc3ccc(F)c(F)c3)c(=O)c2C1 96196295 VPTCBWJQAOVRLE-UHFFFAOYSA-N 377.391 2.863 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(C)c(C)c3-n3cnnn3)c2c1 72402412 WUFCJGCWPBBXBU-UHFFFAOYSA-N 390.447 2.742 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(OC(F)(F)F)cc1 25389285 DKPCBLAGTAIZTQ-UHFFFAOYSA-N 379.290 2.925 0 40 GFAB O=S(=O)(NC1(CO)CC1)c1c(Cl)cc(Br)cc1Cl 95461901 ZJTDAXSJGVRYNO-UHFFFAOYSA-N 375.071 2.559 0 40 GFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c(C)c1 9916088 LTSNUYGFQUWECL-UHFFFAOYSA-N 394.443 2.728 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)cc(C)cc2C)cc1 113871769 PLJJTZISNXSTHN-UHFFFAOYSA-N 390.461 2.850 0 40 GFAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)/C=C/c3ccccc3F)n21 32933392 LVFWOADWJDOIRV-CSKARUKUSA-N 392.390 2.785 0 40 GFAB Cc1nc([C@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)N1CCOCC1 72345532 MOMFHBQNFZRHCA-GOSISDBHSA-N 386.496 2.501 0 40 GFAB COc1ccc(-c2noc(-c3ccc(S(=O)(=O)N4CCCC4)o3)n2)cc1 36358078 DMEXOMYUBJWCQP-UHFFFAOYSA-N 375.406 2.790 0 40 GFAB CSc1nnc(NS(=O)(=O)Cc2ccc(Br)cc2)s1 225814917 IYXMVTHUBZLDBQ-UHFFFAOYSA-N 380.314 2.964 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 225379492 KQHLHGYNBHLDIT-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223125362 UPYIGIVFUPXPMH-DLBZAZTESA-N 388.562 2.756 0 40 GFAB COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793728 QHFMMWWUAUJTSK-UHFFFAOYSA-N 393.461 2.689 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1 225968664 INKOCSMWARMSNB-UHFFFAOYSA-N 375.450 2.683 0 40 GFAB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1N(C)S(C)(=O)=O 222458990 NBINGPSRDJLBLC-UHFFFAOYSA-N 378.469 2.893 0 40 GFAB CCn1c(=O)c2ccccc2n2c(CN3CCC=C(c4cccnc4)C3)nnc12 571602804 YIGAYIVPQFAPBT-UHFFFAOYSA-N 386.459 2.748 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C(=O)NC(C)C 224225541 RNYAVUDTJGGTSQ-HNNXBMFYSA-N 390.505 2.915 0 40 GFAB CC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2Cc1ccccc1 96230407 NGJSNFLKJWUNFS-UHFFFAOYSA-N 392.503 2.620 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 96347275 GHHHDMOUCDWAGT-UHFFFAOYSA-N 379.397 2.948 0 40 GFAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 514289794 OQLPRJNYAPGBIK-MJGOQNOKSA-N 396.491 2.567 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)/C=C/c3ccccc3)ccc2NC1=O 96182287 ARKIYSGYKMKKDY-ZRFOIIEFSA-N 380.400 2.991 0 40 GFAB CCCc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)cc1 96238058 WUSPKZWMCUXNSL-HSZRJFAPSA-N 392.503 2.597 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCCc1ccc(Cl)cc1)CS2 90609832 SMJDAIKKGILDPC-AWEZNQCLSA-N 391.924 2.848 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257283246 OXLLZGNFKRFTQY-FQEVSTJZSA-N 376.416 2.518 0 40 GFAB Cc1cc(C)cc(-n2nc(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)cc2C)c1 679118275 WEERCXZWZDAPDR-UHFFFAOYSA-N 395.463 2.504 0 40 GFAB O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604404009 HXBYQKYXRUZHOY-OLZOCXBDSA-N 395.846 2.603 0 40 GFAB biogenic COc1ccc(-c2nc(Cn3cnc4c3CCNC43CCOCC3)co2)cc1 1615590411 OISHDDOFWRDWEE-UHFFFAOYSA-N 380.448 2.746 0 40 GFAB CN1c2ccccc2N(C2CCN(C(=O)/C=C/c3ccccc3)CC2)S1(=O)=O 575414223 YZDQDBBQIPXHRS-VAWYXSNFSA-N 397.500 2.892 0 40 GFAB Cc1c(C(=O)N2CC3(C[C@@H](OCC(=O)N(C)C)CS3)C2)oc2ccccc12 575403681 MPCQRYBKALFZKP-CQSZACIVSA-N 388.489 2.546 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)CCO1 669504072 UYNLZNMQVWPQSI-LSDHHAIUSA-N 382.338 2.938 0 40 GFAB CCN(C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O)C1CCCCC1 585285201 PBHMNKUXLSNKFL-FPOVZHCZSA-N 394.943 2.933 0 40 GFAB CCN(CC)[C@H](CNC(=O)c1cccc(N2CCNC2=O)c1)Cc1ccccc1 52590990 DYOFHPSUAQLESU-NRFANRHFSA-N 394.519 2.899 0 40 GFAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 58192766 XSCXWUOLUIFDNS-AVRDEDQJSA-N 397.496 2.976 0 40 GFAB CCOC(=O)COc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1OCC 679157 CNXLSQIOPCSQEV-GXDHUFHOSA-N 385.372 2.965 0 40 GFAB CCCCCCC(=O)CCCCCC/C=C\C[C@@H]1OC(=O)[C@@](N)(CO)[C@H]1O 5202877 SWRBTIXRGZAKBN-LDZKPWTKSA-N 383.529 2.789 0 40 GFAB CCn1nnc2cc(C(=O)OCc3nc(-c4cccc(OC)c4)no3)ccc21 5804979 SPSBOMOHSBSELA-UHFFFAOYSA-N 379.376 2.867 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(Cl)c2Cl)NC(=S)N1 5861877 YCKIAAPGCHNQRA-AWEZNQCLSA-N 386.304 2.645 0 40 GFAB CCn1ncc(C(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1C 12134300 QXXUSXFLTHKFLM-HNNXBMFYSA-N 382.468 2.596 0 40 GFAB CC(C)Oc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 12200051 DJSAVGMWCCGCBR-UHFFFAOYSA-N 388.445 2.928 0 40 GFAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br 14769922 GHNVVMRODLGHTL-UHFFFAOYSA-N 399.266 2.748 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 15718263 KCIZJDIZOUCJKH-UHFFFAOYSA-N 388.489 2.927 0 40 GFAB C/C=C/c1ccc(OCC(=O)OCc2nnnn2-c2ccccc2)c(OC)c1 17673678 VHBAZPDTUIMHOL-XVNBXDOJSA-N 380.404 2.826 0 40 GFAB O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19014794 MIKYVXCBNWPGCD-LJQANCHMSA-N 384.524 2.782 0 40 GFAB COc1ccc(OC)c([C@H](O)CN2CCCN(Cc3cccc(C)n3)CC2)c1 19236283 LYEKSAWWBONZQX-OAQYLSRUSA-N 385.508 2.649 0 40 GFAB COc1ccc2c(c1)cc(C(=O)N1CCC[C@@H](c3n[nH]c4nccnc34)C1)n2C 19289739 OUUKTJLKRXFJKO-CYBMUJFWSA-N 390.447 2.873 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@@H](C)c4ccccc4)C3)ncc2C1 19459073 DFJUPSHMJXUIJV-YJBOKZPZSA-N 378.476 2.501 0 40 GFAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)c2ccccc2)C3)C1 19459351 MTMOQBBPUCJNDV-CRAIPNDOSA-N 378.476 2.501 0 40 GFAB CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 19496194 OZOZBCWDVAWQBC-JXFKEZNVSA-N 389.515 2.948 0 40 GFAB COc1ccc(-c2ccccc2C[C@H]2CN(C(=O)C3CC3)CCNC2=O)cc1 19558381 MWUKXYHNJFORMZ-IBGZPJMESA-N 378.472 2.889 0 40 GFAB CNC(=O)c1cc([C@@H]2CN(C(=O)Cc3ccccc3)CCO2)nc2ccccc12 19754346 RCXBDNFGIUHJOW-NRFANRHFSA-N 389.455 2.737 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nnc(C)[nH]3)c(=O)c2c1-c1ccc(C)cc1 19973862 NYLPTQWTARXTSX-UHFFFAOYSA-N 389.415 2.883 0 40 GFAB COc1ccc(OCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12328697 ZLZIBNFQCQKIEX-UHFFFAOYSA-N 394.431 2.925 0 40 GFAB Cc1ccccc1C1(O)CCN(C(=O)COc2ccc3nsnc3c2)CC1 19236906 GBETUAWLELWNKH-UHFFFAOYSA-N 383.473 2.889 0 40 GFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2cc3ncccc3cn2)CC1 19572113 PUEVKOMBTQOJJG-UHFFFAOYSA-N 376.460 2.965 0 40 GFAB Cc1ccc(OCC2CCN(C(=O)C[C@@H]3COc4ccccc4O3)CC2)nn1 1888870155 JSNFMUJWULYYEZ-QGZVFWFLSA-N 383.448 2.633 0 40 GFAB CN(CCC(=O)N1CCC[C@@](O)(COc2ccccc2)CC1)Cc1cccnc1 2037913207 ZNFXCPOUNSBUHC-QHCPKHFHSA-N 397.519 2.726 0 40 GFAB O=C(CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1cccc(F)c1 713171 WPTRUSOHWCJNTC-OAHLLOKOSA-N 376.384 2.969 0 40 GFAB COc1cccc2c(S(=O)(=O)N3CCc4ccccc4[C@H]3C(=O)O)ccnc12 1102642 RXGHJANOPCVWMS-IBGZPJMESA-N 398.440 2.616 0 40 GFAB O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(F)c(F)c1 8864267 DCOMBMGJUBHOHI-MRXNPFEDSA-N 379.432 2.918 0 40 GFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1cccc2c1OC(C)(C)C2 10256139 ZPVCVCAJAJDDQI-GOSISDBHSA-N 394.471 2.873 0 40 GFAB CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCOCC3)c(O)n2n1 22854299 BVEKBEDQUPXVOW-AWEZNQCLSA-N 380.420 2.759 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 44204320 FFZZBVYWFFWWEL-LBPRGKRZSA-N 394.478 2.971 0 40 GFAB COc1ccc(-c2nnc(CC(=O)N3CCN(c4ccc(C)cc4)CC3)o2)cc1 49405753 GGOHNYUAJMFXKY-UHFFFAOYSA-N 392.459 2.945 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 5223124 QOYBKFVAJPFYMM-UHFFFAOYSA-N 392.502 2.772 0 40 GFAB O=C(NCc1ccccn1)c1cccc(S(=O)(=O)NCc2cccs2)c1 21895952 OQYYFXCJBWVMHJ-UHFFFAOYSA-N 387.486 2.552 0 40 GFAB COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(Br)c1O 20086724 JYGCEPQVPMXPDO-LBPRGKRZSA-N 392.209 2.563 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c(Cl)c1 100033025 IOZKNBMWIVVUEK-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21 40129567 IYAYBEAUUXKYEZ-UHFFFAOYSA-N 398.507 2.591 0 40 GFAB CC(C)Cn1c(SCC(=O)Nc2nncs2)nnc1-c1ccncc1 20171640 MFHHXENFIFXVOD-UHFFFAOYSA-N 375.483 2.578 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(C)C1=O)[C@H]3c1ccccc1 100797681 QTGLBIQKIDRKJE-UGKGYDQZSA-N 389.455 2.881 0 40 GFAB biogenic O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 29169045 ZBNHSMQNSGWPMZ-UHFFFAOYSA-N 388.427 2.944 0 40 GFAB O=c1[nH]c2nc(NCCc3c[nH]c4ccccc34)ncc2c(=O)n1C1CCCC1 101462568 ZBRBIEQHEJCKIG-UHFFFAOYSA-N 390.447 2.731 0 40 GFAB O=C(Nc1ccccc1)C1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 101490882 KIYBKSLJZBFPNE-LJQANCHMSA-N 395.434 2.808 0 40 GFAB CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4016850 SNYBQIIVGREIAE-OLMMMNRUSA-N 382.840 2.506 0 40 GFAB CC(=O)OC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 4194809 AVMIIKLVEDAPFQ-ICUGJSFKSA-N 382.453 2.795 0 40 GFAB CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CCC4)CO[C@H]23)cc1 4235683 NHQRSJUVCDCPFU-WJFTUGDTSA-N 388.464 2.810 0 40 GFAB biogenic,in-vitro Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)n1 6968559 NEEXZKZZGZTQBZ-LZYBPNLTSA-N 397.412 2.794 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)CCc1c(C)nc2ncnn2c1C 7946462 CHZFDUXKADPETR-UHFFFAOYSA-N 394.523 2.832 0 40 GFAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2635206 KBTYBZNUFPULRM-UHFFFAOYSA-N 393.443 2.897 0 40 GFAB CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@H]1CC 32805947 SMGJHXKGSMWLCJ-HNNXBMFYSA-N 395.887 2.559 0 40 GFAB CCN1C(=O)C[C@H](N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1=O 103022630 XKCDDQVJWJHYHG-SFHVURJKSA-N 388.899 2.781 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccnc1Oc1ccccc1 103146483 YNYSXYBAVVLMJN-IYBDPMFKSA-N 379.416 2.988 0 40 GFAB O=C1c2ccccc2C(=O)N1CNc1ccc(I)cc1 778010 QYOMCIMBWLKWKQ-UHFFFAOYSA-N 378.169 2.957 0 40 GFAB COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cc1 100146461 LRIKOAGUWQTDBS-RTBURBONSA-N 383.492 2.509 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1nc(Cc2c[nH]c3ccccc23)no1 12392003 VHPHCPQSGJUACZ-UHFFFAOYSA-N 376.372 2.800 0 40 GFAB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 823626 VUXAJQHDCVARTD-IBGZPJMESA-N 380.400 2.829 0 40 GFAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCC(C(=O)N2CCCCCC2)CC1 24497395 QHTHCNVRXMZKOC-UHFFFAOYSA-N 383.492 2.596 0 40 GFAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 24669977 MFAOHWGSGKMREO-IRXDYDNUSA-N 385.533 2.814 0 40 GFAB O=C(CCc1nccs1)N1CCN(c2ccc(Br)cn2)CC1 55248358 ABDWDAVUUTUIGU-UHFFFAOYSA-N 381.299 2.582 0 40 GFAB O=C(NC1CC1)[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 24988775 LXNMTHJQMUYLLE-IBGZPJMESA-N 385.489 2.658 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 25050237 VLQVIKYCTYBYTJ-AWEZNQCLSA-N 381.432 2.628 0 40 GFAB COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1C 55970644 XYWVVMVBMLICEC-AWEZNQCLSA-N 376.478 2.679 0 40 GFAB COc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 35262649 MDVYHHBGARSZDM-UHFFFAOYSA-N 399.466 2.550 0 40 GFAB CCn1cc(C(=O)OCC(=O)Nc2ccccc2OC)c(=O)c2ccc(C)nc21 3239529 DDUCFLWKAUAOTR-UHFFFAOYSA-N 395.415 2.529 0 40 GFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 3234260 AUEHVHALIAPCND-CQSZACIVSA-N 397.406 2.808 0 40 GFAB CS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4ccccc4)SC3)ccc21 12607773 WWNFFBIBZIPFAP-UHFFFAOYSA-N 386.502 2.928 0 40 GFAB O=C1CCCc2cc(S(=O)(=O)Nc3cc(CO)ccc3Cl)ccc2N1 58249474 GFKBFHBHNKLDGV-UHFFFAOYSA-N 380.853 2.908 0 40 GFAB O=C(OCc1nc2ccccc2s1)c1ccccc1CN1C(=O)CNC1=O 10917178 HRTFWOZPVVRRHV-UHFFFAOYSA-N 381.413 2.705 0 40 GFAB C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619194 FVPQZTNPMWNNJK-CQSZACIVSA-N 382.443 2.535 0 40 GFAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nc(-c2ccccc2)no1 8394625 PRNGTFNZZJHGSG-KRWDZBQOSA-N 387.399 2.881 0 40 GFAB CC(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)Oc2ccccc21 8395130 AODPQNWIEJNQPO-VFNWGFHPSA-N 390.443 2.864 0 40 GFAB O=C(O)CCCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 17079297 ROHUMJVJXANWHQ-UHFFFAOYSA-N 388.445 2.631 0 40 GFAB COc1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc(OC)c1OC 3493707 MIPRBSXQYNMUIW-UHFFFAOYSA-N 385.372 2.836 0 40 GFAB biogenic COc1ccc([C@@H](CC(=O)O)NC(=O)CCc2cccc(OC)c2OC)cc1 13189644 UJCMRRSOFXHSIT-QGZVFWFLSA-N 387.432 2.977 0 40 GFAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 65474410 UJFGKRMUQFZFSM-UHFFFAOYSA-N 389.411 2.848 0 40 GFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1(C)C 14182375 NGSRWZGSWBIEJS-ROUUACIJSA-N 394.512 2.897 0 40 GFAB CCc1ccc(-c2noc(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)n2)cc1 14230577 ALNANBRICPNALP-UHFFFAOYSA-N 396.428 2.852 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[C@H]2Oc3ccccc3NC2=O)c1 14246043 ZFYOOIGNLNNLNE-SCLBCKFNSA-N 396.399 2.549 0 40 GFAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N1CCCCC1 5485252 KKWAQAVRCDSSOH-KRWDZBQOSA-N 383.496 2.993 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)n2C)c1 6788489 KRCDBWIDYYEVKC-UHFFFAOYSA-N 395.488 2.909 0 40 GFAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 4818517 JIDYFVOWLZVSGW-UHFFFAOYSA-N 389.887 2.593 0 40 GFAB COc1ccccc1N1C(=O)N=C(O)/C(=C2\C[C@H](c3ccccc3)NN2)C1=O 8994453 KLTVIUHAPADSCQ-CLBVAXQTSA-N 378.388 2.612 0 40 GFAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(SCC(N)=O)s1 7300505 RDFAUABAQYYAMD-JTQLQIEISA-N 382.536 2.852 0 40 GFAB O=C(CSc1ncnc2ccccc12)N1CCN(C(=O)c2cccs2)CC1 7425000 GLOIGLJBILPNMG-UHFFFAOYSA-N 398.513 2.768 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 7473615 KKGPPOSBRUTBGZ-LBPRGKRZSA-N 391.349 2.796 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 7473613 KKGPPOSBRUTBGZ-GFCCVEGCSA-N 391.349 2.796 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1C 408610715 VJWZFLGNCBIANH-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccccc1 7719142 DJQPQBDSAXIFDR-UHFFFAOYSA-N 395.864 2.994 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccccc1F 7728418 CSJGRNPBVXDFJQ-ZDUSSCGKSA-N 378.425 2.535 0 40 GFAB CN(Cc1ccc(Cl)nc1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005162 LZTHONBMCSFALT-INIZCTEOSA-N 399.944 2.678 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1ccc(C(F)(F)F)cc1 9500867 RLTZOOIRWDXGCI-UHFFFAOYSA-N 394.349 2.523 0 40 GFAB CC(C)c1ccccc1OCCNC(=O)c1cccc(NS(C)(=O)=O)c1 111120973 PRLAQKWKXISHTQ-UHFFFAOYSA-N 376.478 2.990 0 40 GFAB CCCC[C@@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCS1(=O)=O 89953267 LNUKTMZCAUONPK-KRWDZBQOSA-N 393.509 2.568 0 40 GFAB CS(=O)(=O)C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccccc1 83984510 LCSNFOYBPPSVSY-GDBMZVCRSA-N 381.544 2.981 0 40 GFAB CCN1CCN(c2ccccc2NS(=O)(=O)c2cccc(C(C)=O)c2)CC1 21890201 RYYQKJLIYYDRTB-UHFFFAOYSA-N 387.505 2.832 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H]1C[C@@H](O)c1cccs1 79045462 RVJRVNHARVAPLR-WMLDXEAASA-N 383.473 2.573 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2F)cc1C 408618445 GJKXNPXMFLTDPD-ZDUSSCGKSA-N 380.441 2.838 0 40 GFAB O=C(Cc1ccsc1)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306143057 XSAJFGVGETWELY-MOPGFXCFSA-N 392.484 2.595 0 40 GFAB NC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 408749354 GCURYRFORSZNNA-GHMZBOCLSA-N 393.490 2.703 0 40 GFAB CC(C)Oc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 408624986 HIOYMBBVVMGYIL-UHFFFAOYSA-N 391.493 2.725 0 40 GFAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(CN2CCOCC2)c1 219249316 ONAVUCRMCYWPGT-UHFFFAOYSA-N 398.488 2.903 0 40 GFAB CCN(c1ccnc(NC(=O)N2CCO[C@@]3(CCCOC3)C2)n1)C1CCCC1 554484612 QOTZOQTVHQFARA-FQEVSTJZSA-N 389.500 2.659 0 40 GFAB Cc1ccc2sc(CN3C(=O)NC4(CCC5(CC4)OCCO5)C3=O)nc2c1 530107532 ZKKLECASIYEKAT-UHFFFAOYSA-N 387.461 2.712 0 40 GFAB NC(=O)C1CCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CC1 32074664 JTAIAVFIYZRDIL-UHFFFAOYSA-N 391.471 2.944 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1)C(C)C 36569305 YUNWTYSUGMTMCK-NVXWUHKLSA-N 390.871 2.918 0 40 GFAB C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCSCC1)[C@]1(C2)NC(=O)c2ccccc2N1 72326508 LPURDHRZANAVDU-XQJRBRMLSA-N 385.533 2.940 0 40 GFAB COCCN1CCN(c2cc(C)nc3c(-c4ccc(OC)cc4)c(C)nn23)CC1 72341679 DBGXYWDXWOZMMY-UHFFFAOYSA-N 395.507 2.790 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)n1c(CN2CCOCC2)nc2ccccc21 35311094 LHGUTILZEBEREC-UHFFFAOYSA-N 391.880 2.759 0 40 GFAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1 30868870 XAIFVSMYSVRPDY-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB Cc1nc([C@@H]2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)C2)n[nH]1 565293509 JDZIXGIFAJUFGH-SNVBAGLBSA-N 389.872 2.728 0 40 GFAB O=C(Nc1nc(S(=O)(=O)Cc2ccccc2)ns1)c1ccc(F)cc1 36626370 IDWKPZOWQILWJU-UHFFFAOYSA-N 377.422 2.903 0 40 GFAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccccc1Br 31669056 LYWUYLXTYHGMQR-UHFFFAOYSA-N 383.267 2.520 0 40 GFAB COc1ccc(CN2[C@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cc1OC 72327426 FTXUEPAUIDEXKH-GNSUPJDDSA-N 379.460 2.992 0 40 GFAB O=C(N=c1[nH]cc[nH]1)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 79478997 JKUPTUHHUKUDCH-UHFFFAOYSA-N 397.236 2.823 0 40 GFAB CN(c1cccc(C(=O)NCc2ccccn2)c1)S(=O)(=O)c1ccccc1 224252928 BQVPKSSYZVVYPD-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB COc1ccc(NC(=S)NC2CCN(C3CCOCC3)CC2)c(OC)c1 225213061 HFWWEJJURDRAJW-UHFFFAOYSA-N 379.526 2.634 0 40 GFAB Cc1c(Cl)cccc1N(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 224833808 PMYBBIIQKAOYNH-UHFFFAOYSA-N 397.836 2.700 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c(OC)c1 220119277 PAZIDLUANSIYJT-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB O=S(=O)(N[C@@H](c1cccnc1)C1CCOCC1)c1cccc2nsnc12 225625254 PFTDWHNXZFNZNI-MRXNPFEDSA-N 390.490 2.533 0 40 GFAB CCCNC(=O)CCc1nc(-c2ccc(I)cc2)no1 225837200 PHAVIPRXRSRCAN-UHFFFAOYSA-N 385.205 2.800 0 40 GFAB COC(=O)CSc1nnc(NC(=O)c2cc3cccc(OC)c3o2)s1 225633974 CNQBDTDJAKVKIV-UHFFFAOYSA-N 379.419 2.810 0 40 GFAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1nc(N2CCCC2)ncc1Cl 84392978 MLWBKQIEDJNPPO-CQSZACIVSA-N 381.263 2.847 0 40 GFAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)c1cccn(Cc2ccccc2)c1=O 532259703 ICHGVQLOCHSJSW-FQEVSTJZSA-N 388.423 2.721 0 40 GFAB CCOc1ccc(-c2nc(N3CCN(C)CC3)sc2CC(=O)O)cc1C 95097208 XTEYZUZHEYZQHF-UHFFFAOYSA-N 375.494 2.896 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 243878058 RMZCLRSVKZSIHR-UHFFFAOYSA-N 394.537 2.853 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230212 NKPHVJAVUYSGSZ-WYADAEROSA-N 396.418 2.516 0 40 GFAB COc1ccccc1-c1cccc(CC2(C(=O)N3CC(O)C3)CCOCC2)c1 257198156 UYPQWRQZVVIVSA-UHFFFAOYSA-N 381.472 2.905 0 40 GFAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1C[C@@H](O)[C@H](n2ccnn2)C1 626556560 CUZSOXAPBYLTTK-CHWSQXEVSA-N 390.856 2.505 0 40 GFAB C[C@@H](Oc1ccc(CO)cc1)c1cn([C@H](C)C(=O)NCc2ccc(F)cc2)nn1 640887642 OCIVLZLFCDBZGL-HUUCEWRRSA-N 398.438 2.927 0 40 GFAB COc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3ccccc3)[nH]c2c(OC)c1OC 601471600 VEJISZFREVJHTC-GFCCVEGCSA-N 397.431 2.951 0 40 GFAB COc1cc(CC2CN(C[C@H](O)CN(C)Cc3ccccc3)C2)cc(OC)c1 680534991 GNFGOFXVTUSJRI-OAQYLSRUSA-N 384.520 2.671 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585582688 XLQCAEQEYZCWRN-UHFFFAOYSA-N 380.452 2.555 0 40 GFAB O=C1CCCC[C@@H]1CCC(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12253872 ZSCSYGGQCXVTSC-GOSISDBHSA-N 383.492 2.929 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCCC2)c(C)n1S(=O)(=O)c1ccccc1 13585990 LNJQZLXUAHBCTJ-UHFFFAOYSA-N 396.534 2.907 0 40 GFAB Cc1nn(CCCNS(=O)(=O)Cc2ccccc2)c(C)c1Br 14247447 MQHIVUGXEGVRDF-UHFFFAOYSA-N 386.315 2.772 0 40 GFAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cc(Br)c[nH]1 14643269 PQNYCKJPVGMCGT-UHFFFAOYSA-N 382.601 2.796 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 19867752 BYJNCLLKHTYJLV-PWIZWCRZSA-N 390.549 2.842 0 40 GFAB CN1CC[C@@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1=O 106829479 RJHRZVFMOWXFDU-MRXNPFEDSA-N 377.916 2.537 0 40 GFAB O=C(CC[C@H]1CCCCC1=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 13268274 CIWWKRYBLDGWQZ-QGZVFWFLSA-N 391.475 2.990 0 40 GFAB CN1CCC2(CC1)CN(CC(=O)Nc1ccccc1F)C(=O)c1ccccc1O2 19588402 ROOUPCBKNCEJOH-UHFFFAOYSA-N 397.450 2.763 0 40 GFAB COc1ccc(CSc2nnc(S[C@@H](C)C(=O)NC(N)=O)s2)cc1 5871766 PPINZUMPXCNCJB-QMMMGPOBSA-N 384.508 2.515 0 40 GFAB CCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6787546 FXCWSRFSGVDSNH-UHFFFAOYSA-N 376.482 2.720 0 40 GFAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2ncc(C(F)(F)F)cc2F)CN(C)C1=O 1888850402 KNXWLWGBYTUNQZ-XODPVKTHSA-N 387.377 2.987 0 40 GFAB O=C(CN1CCCc2ccccc21)NCc1ccc(C(=O)N2CCCC2)cc1 25406488 ARTDYZZPIBOCLI-UHFFFAOYSA-N 377.488 2.992 0 40 GFAB COc1cccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037988963 PIXWFKOTWJXRTN-NRFANRHFSA-N 385.439 2.627 0 40 GFAB Cc1ccc(N2C[C@H](NC(=O)NC[C@H]3COc4ccccc4O3)CC2=O)cc1C 4373255 YVSHQKAHOVLKCF-AEFFLSMTSA-N 395.459 2.548 0 40 GFAB Cn1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)c1=O 13695001 FIEZAMQNWPADSE-UHFFFAOYSA-N 379.441 2.902 0 40 GFAB COc1cccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775965782 HHCWQLZKMWFWIR-UHFFFAOYSA-N 381.476 2.683 0 40 GFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)Nc2ccc3c(c2)OCO3)CC1 43979209 OWUWJLGNQHNYBT-UHFFFAOYSA-N 376.457 2.757 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CC[C@]2(O)CCCC[C@H]2C1 15954226 RFGXLRUPPXILRS-NPMXOYFQSA-N 397.471 2.814 0 40 GFAB biogenic Cc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)cc1N1CCNC1=O 20209348 VPRSQCGHKYDGOU-UHFFFAOYSA-N 390.447 2.591 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 100787494 MEFSOWGTCCWCSB-JYJNAYRXSA-N 399.491 2.719 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 800662 FTHKJKMSCXSDBW-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc12 1331728 YEUMQZJPZPPYKF-ZIAGYGMSSA-N 399.520 2.946 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 1353442 HPLKCLJVCUZJQB-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)cc1 1363375 CUHRXJSTRJANBJ-QGZVFWFLSA-N 394.537 2.792 0 40 GFAB O=c1c(NCc2ccccn2)c(NCc2nc(-c3ccccc3Cl)no2)c1=O 101692116 TUGSGRIZQOGXDG-UHFFFAOYSA-N 395.806 2.605 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(OC)ccc1OC)CC(=O)N2 4944326 AQPWWIPTMSORIX-GFCCVEGCSA-N 375.450 2.763 0 40 GFAB Cc1cccc(C(=O)C2CCN(S(=O)(=O)c3cccc(C(=O)O)c3)CC2)c1 4966920 PNUMAKIMJJGULJ-UHFFFAOYSA-N 387.457 2.977 0 40 GFAB CCN1C(=O)C(=Cc2ccc3c(ccn3[C@H](C)C(=O)O)c2)C(=O)N(CC)C1=S 6630214 LDUZVDGGCTZCPD-GFCCVEGCSA-N 399.472 2.666 0 40 GFAB Oc1ccc(C2=CCN(C[C@@H](O)COCc3ccc4c(c3)OCO4)CC2)cc1 32854346 RQQITUGYUOOUIZ-HXUWFJFHSA-N 383.444 2.788 0 40 GFAB COc1cccc(NC(=O)CN(C)CC(=O)NCc2cccc(Cl)c2)c1 8747850 NSCBDNBGADEBKR-UHFFFAOYSA-N 375.856 2.535 0 40 GFAB COC(=O)c1cc(COC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)oc1C 32954683 HIKRUFKLXLVHIW-LJQANCHMSA-N 387.432 2.801 0 40 GFAB O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2ccccc2)C1 29841304 IMFHZGMSZLHFLM-HXUWFJFHSA-N 377.488 2.604 0 40 GFAB C[C@H](OC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21850357 YSDWYGVBDKJGFM-CPCISQLKSA-N 378.734 2.508 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606810 DKCZJPPGXBFPAO-INIZCTEOSA-N 378.519 2.807 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@@H]1c1ccccc1 2726719 JHCDQCUYZYDOGB-KRWDZBQOSA-N 392.411 2.666 0 40 GFAB biogenic CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccc(Cl)cc12 100030051 AOJRYAFQDHDAKV-ZQIUZPCESA-N 384.885 2.506 0 40 GFAB CNC(=O)COc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1OC 53513014 UGTDTIZGQDWGGA-SFHVURJKSA-N 397.475 2.973 0 40 GFAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(Cn2cncn2)cc1 23149642 CQDOUPYTTMKZSV-QGZVFWFLSA-N 375.432 2.856 0 40 GFAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O 980919 QYKYHUJHQPKSIS-GZTJUZNOSA-N 398.390 2.861 0 40 GFAB O=C(NCCN1CCc2sccc2C1)NC[C@@H]1CCN(c2ccccc2)C1 54687124 DFBGJCQNBFRRST-KRWDZBQOSA-N 384.549 2.932 0 40 GFAB COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)cc1OC 1465252 AWYARSBVTRFLOZ-GOSISDBHSA-N 392.419 2.618 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1)c1ccco1 23911113 QJMBITYXCLESTA-UHFFFAOYSA-N 390.443 2.885 0 40 GFAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCC(=O)NC1CCCC1 47859347 ULOZYFQALQVHNB-UHFFFAOYSA-N 377.391 2.983 0 40 GFAB CCNC(=O)NC1(C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)CCCC1 57253204 YHOFISFRQWWWFA-OAHLLOKOSA-N 375.517 2.764 0 40 GFAB CCc1sc(C(=O)NCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1C 24443808 ILOYBLDXYNYCLS-QGZVFWFLSA-N 385.533 2.864 0 40 GFAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 57406468 RTNGLDDYBPJQIM-HNNXBMFYSA-N 395.459 2.767 0 40 GFAB O=C(OCC(=O)N1CCCCCC1)c1ccc(I)cc1 3246645 NFOVWQVUKBFWBL-UHFFFAOYSA-N 387.217 2.851 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(N(CC)CC)nc1 58193154 DBNFLIJFXJCAQG-UHFFFAOYSA-N 379.464 2.827 0 40 GFAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCCC(=O)O)c12 2123745 GPPCSJURVVPHJK-ZDUSSCGKSA-N 375.421 2.802 0 40 GFAB biogenic CC(C)CC[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 58427738 JLAZKWWWUNCFPK-JTQLQIEISA-N 397.360 2.730 0 40 GFAB O=C(CCCc1nc(-c2ccccc2)no1)N1CCN(c2nccs2)CC1 11187887 VFNITDMVBXQUSC-UHFFFAOYSA-N 383.477 2.865 0 40 GFAB CCN(CC)[C@H](CNC(=O)NC1CCN(c2ncccn2)CC1)CC(C)C 45537898 HZOHEJLJNCATEO-SFHVURJKSA-N 376.549 2.501 0 40 GFAB Cc1ccn(C[C@H](C)CNC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36619477 AYAXZUFOJVYDPZ-CYBMUJFWSA-N 393.426 2.501 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 408615934 DCUVQPIRFWESPP-CQSZACIVSA-N 396.896 2.686 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)OCC(C)C)c12 12762999 UNOWADCUFVFQPA-CQSZACIVSA-N 391.493 2.790 0 40 GFAB O=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCCCC1=O 48367328 XESUJSOCTIQCQG-UHFFFAOYSA-N 386.521 2.580 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC(=O)N(CCc2ccccc2)C1 12899668 VLNGKVIUQVVTRZ-IBGZPJMESA-N 375.472 2.918 0 40 GFAB biogenic COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N[C@H](C)c2ccccc2)c1OC 3434775 QZMQAMWXOTYECC-WTNCMQEWSA-N 391.445 2.841 0 40 GFAB O=C(O)CCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2=O)c1 13429365 NKSQGTPFBNWOFO-UHFFFAOYSA-N 380.444 2.926 0 40 GFAB Cc1c(CCC(=O)NCc2ccc3c(c2)OCO3)c(=O)oc2cc(O)ccc12 4086367 ONYVUQGNRQNTND-UHFFFAOYSA-N 381.384 2.785 0 40 GFAB biogenic CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)c1ccc(F)cc1 6112009 KPKXOOCDQGQGLK-OAQYLSRUSA-N 383.423 2.954 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(CCO)cc1 5345894 HRSDZOSKLWQPHZ-UHFFFAOYSA-N 379.412 2.834 0 40 GFAB O=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN(Cc2ccccc2)CC1 14171875 LJAZQYMCKMUWPB-GOSISDBHSA-N 383.517 2.697 0 40 GFAB CCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 14125142 MXBDGVSZEUAYPJ-UHFFFAOYSA-N 378.450 2.597 0 40 GFAB CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)NCC(N)=O)ccc21 4704246 LGBKHNWZJNVZHE-AWEZNQCLSA-N 394.475 2.771 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CN(C)C)CC2=O)cc1 6992900 ZLNJHXXHZZAWQS-FQEVSTJZSA-N 379.504 2.980 0 40 GFAB COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(Cl)c1OC 8719196 VLFZSRQCSWKIJT-UHFFFAOYSA-N 378.812 2.548 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(OC)c(F)c2)C1 96000122 ZNQHZAKEJFSKLM-CQSZACIVSA-N 376.432 2.522 0 40 GFAB COc1ccc(CNC2=N[C@@H](c3ccccc3)n3c(nc(C)cc3=O)N2)cc1 9341205 QKPNLERYQPSNOA-LJQANCHMSA-N 375.432 2.679 0 40 GFAB COC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 71830286 HSDLJYNMGIQRGW-CJNGLKHVSA-N 379.412 2.715 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CNc1cc(N2CCCS2(=O)=O)ccc1Cl 72312427 MABXRVQOLAEGRW-XJKSGUPXSA-N 399.944 2.987 0 40 GFAB Cc1cccc(NC(=O)NC(=O)CN2CCC(=O)N(C)c3ccccc32)c1C 72305655 MRHVPRLWRLHHDO-UHFFFAOYSA-N 380.448 2.825 0 40 GFAB Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CCS2 95405645 VJGZGHKLGKOGTG-UHFFFAOYSA-N 393.412 2.928 0 40 GFAB CN(C(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1Cl)C1CCCCC1 95954323 YEWLCOKMHDDCPG-MRXNPFEDSA-N 377.872 2.962 0 40 GFAB O=C(NCc1ccccc1)N1CCO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 306128036 GOJUHJYWKCVAAC-FQEVSTJZSA-N 385.489 2.575 0 40 GFAB COC(=O)C(=Cc1cc(Br)c(O)c(Br)c1)C(=O)OC 409045433 YKJZTZWAWPLJLY-UHFFFAOYSA-N 394.015 2.647 0 40 GFAB Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccc(Cn2cncn2)cc1 20720003 FTVTYIKHNRVHGM-UHFFFAOYSA-N 378.417 2.592 0 40 GFAB CC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 408624274 BYEAMMUGOTZHLY-UHFFFAOYSA-N 386.496 2.981 0 40 GFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 409096572 DQZMRSRTKKCSQU-PKTIUJEHSA-N 386.223 2.753 0 40 GFAB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(CC[C@H](C)c3ccc(C)o3)C2)O1 306140747 VDBFUCMHONFVSL-CDXJDZJCSA-N 393.528 2.651 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)n2c1nc1ccccc12 36125488 RMHIURPJCQNPKA-GOSISDBHSA-N 394.431 2.608 0 40 GFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(CN2CCOCC2)c1 30864523 XXXIOFORISANLE-UHFFFAOYSA-N 379.460 2.898 0 40 GFAB CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(-n2cccc2)ccn1 502081990 RQTNKPNUPSPYCU-MRXNPFEDSA-N 383.473 2.855 0 40 GFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccccc12 524729585 ZLVPXSUUSFNRTL-WGGBDISSSA-N 389.455 2.937 0 40 GFAB biogenic COc1ccc(CCNS(=O)(=O)c2ccc(NC(C)C)c(C(=O)O)c2)cc1 217617855 UBGCQQFSDXNQGJ-UHFFFAOYSA-N 392.477 2.735 0 40 GFAB Cc1cn(C2CCCCC2)nc1NC(=O)CN1CCN(c2ccccn2)CC1 542423428 ALZPIURWHYIGMQ-UHFFFAOYSA-N 382.512 2.852 0 40 GFAB CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 72371927 LGIXIWKCWWYWSA-KRWDZBQOSA-N 396.466 2.782 0 40 GFAB COCCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 72362381 AOPJCIHXWMRLIJ-MRXNPFEDSA-N 398.463 2.970 0 40 GFAB CN1CCN(C(=O)c2ccccn2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351734 ZQUGBTMJSNUTIE-NRFANRHFSA-N 386.455 2.669 0 40 GFAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(Br)ccc1C 48354132 NCJJMZBPWSVXDX-UHFFFAOYSA-N 399.266 2.666 0 40 GFAB Cc1csc(NC(=O)CSc2nnc(NC(=O)c3cc(C)on3)s2)n1 42379201 TWWZYZUUEVIQRK-UHFFFAOYSA-N 396.479 2.583 0 40 GFAB CCN(Cc1ccc(C(=O)NCCCOC)cc1)S(=O)(=O)c1ccccc1 224443008 MDSHJITZEGZXMV-UHFFFAOYSA-N 390.505 2.664 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)[C@@H](c2ccccc2)CO1 528334382 BEIPJBRMCRKDSF-WCQYABFASA-N 389.399 2.590 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc(I)c1 222246240 MHPWIUHQCRHJIL-PMXAPFLYSA-N 391.208 2.849 0 40 GFAB COc1cccc([C@@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)c1 95533567 DYAYSWPDAAWKAU-CQSZACIVSA-N 375.226 2.997 0 40 GFAB COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(O)nc2ccccn2c1=O 96115472 YRDGDAABZYHNBZ-OAHLLOKOSA-N 378.384 2.523 0 40 GFAB biogenic CN(C)c1cnnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 96121046 SDXPCUJJOHOXIB-UHFFFAOYSA-N 379.386 2.524 0 40 GFAB COc1ccc2c(C)c(CC(=O)NCC(=O)c3ccccc3)c(=O)oc2c1OC 96114476 YPXBHNOGGNPHFM-UHFFFAOYSA-N 395.411 2.660 0 40 GFAB biogenic O=C(Nc1cccnc1)[C@@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96241052 WJZVYVQFIFKGAA-IBGZPJMESA-N 394.475 2.659 0 40 GFAB COc1ccc(NC(=O)N2CC[C@@](C)(O)[C@@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 604382158 ICRNYZZOFNZNML-JAXLGGSGSA-N 397.475 2.930 0 40 GFAB biogenic,in-vitro Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCC(N)=O)CCOCC3)cc2)c1 257303933 SJILNFKVAJBAOR-UHFFFAOYSA-N 380.488 2.911 0 40 GFAB O=C(CCc1ccc(C(=O)O)cc1)NC1CCN(C(=O)c2ccccc2)CC1 262666095 VWADOZDNBURIGR-UHFFFAOYSA-N 380.444 2.738 0 40 GFAB Oc1nc(CN2CCC[C@H](c3cc[nH]n3)C2)nc2c1cnn2-c1ccccc1 590926730 NLKCSUCLMHCLBU-AWEZNQCLSA-N 375.436 2.624 0 40 GFAB CC[C@H](c1ccccc1OCC(=O)N1CCCC1)N1C(=O)N2CC3CC2(C3)C1=O 656798665 SZAFBMJUINQRSI-WIVVBHTDSA-N 397.475 2.566 0 40 GFAB C[C@H]1[C@H](C)N(CC(=O)Nc2ccccc2)CCN1CC(=O)Nc1ccccc1 662226737 RUQPAPYYCCEJNB-ROUUACIJSA-N 380.492 2.658 0 40 GFAB OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncncc2Br)CC1 675793027 WJOJTRRFZHJTTP-HNNXBMFYSA-N 397.704 2.748 0 40 GFAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1C)OC 96385024 YTLRBLIZMGJYNK-GOSISDBHSA-N 392.477 2.628 0 40 GFAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cnc4ccccn24)C3)n1 575402901 DLSJXXVOBQDMGS-GOSISDBHSA-N 392.459 2.628 0 40 GFAB Cc1cccc(C(=O)N2Cc3cncn3[C@@H](C(=O)NCCc3cccs3)C2)c1 585096224 ZONWKYXNKVVAPH-LJQANCHMSA-N 394.500 2.809 0 40 GFAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc(-c2ccc(F)cc2)cs1 585266302 JOEBZZZAZFIRLT-LPHOPBHVSA-N 391.468 2.504 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4ccccn4)nc3[C@H]2C)c1 585096555 SICAGGGLFLTQBJ-MRXNPFEDSA-N 389.459 2.734 0 40 GFAB O=C(NCc1cnn(-c2ccc(F)cc2F)c1)c1c[nH]c2ccccc2c1=O 52055727 FZTAPNFXXNKYAE-UHFFFAOYSA-N 380.354 2.922 0 40 GFAB Cc1cc2n(n1)C1(CCN(C(=O)C(C)(C)C)CC1)CC(=O)N2Cc1ccncc1 1772596499 MWOYAVIWCWQYHR-UHFFFAOYSA-N 395.507 2.887 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@]2(OC(C)=O)c3ccccc3-c3ccccc3[C@H]12 5664666 BIMCFBABWXWLHN-GCJKJVERSA-N 378.380 2.865 0 40 GFAB C[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5919351 FPXUZHSQQSBQDY-LRDDRELGSA-N 389.839 2.662 0 40 GFAB COc1cccc(OC)c1CN1CCc2nc(-c3cccnc3)nc(O)c2C1 12121957 FATXOJTXAZZJPM-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc1 12346380 FIIIRWGJJSOTID-IBGZPJMESA-N 381.407 2.875 0 40 GFAB COc1cc(C(=O)Nc2ccc(C)cc2)c(N(C)S(C)(=O)=O)cc1OC 13582555 INFZSEVBISFOCD-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB Cn1ccnc1-c1nn(CCNC(=O)c2ccccn2)cc1-c1ccc(F)cc1 19291569 CTISZCFLNFCJEG-UHFFFAOYSA-N 390.422 2.915 0 40 GFAB Cc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)Cc3ccccn3)CC2)n1 19692156 UMHOUDPHZJZNDW-UHFFFAOYSA-N 388.475 2.773 0 40 GFAB COCCN1Cc2c(-c3ccccc3)nc(N)n2N(Cc2ccccc2OC)C1 169681383 GPYPZTULPVSCBW-UHFFFAOYSA-N 393.491 2.699 0 40 GFAB Cc1ccnc(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)c1 5923924 HCFZUKDNLMTPGQ-UHFFFAOYSA-N 380.473 2.804 0 40 GFAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888844418 WKAWPTDHQPNCOK-TXEJJXNPSA-N 380.345 2.843 0 40 GFAB Cn1nccc1C(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888901020 HYUAXPJTPJZVRB-AWEZNQCLSA-N 381.411 2.557 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1 32716657 LVTOFTHWTNOSDX-CQSZACIVSA-N 399.472 2.800 0 40 GFAB CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(Br)cn3)CC2)n1 1775995077 AAOGFNBMRFWWCP-UHFFFAOYSA-N 392.301 2.935 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037975664 PZOANSJPUUOQMH-JOCHJYFZSA-N 390.443 2.601 0 40 GFAB CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(C1CCOCC1)CCO3 2037976882 BDFGJYMFFGJGOT-LRXVAGHRSA-N 389.492 2.891 0 40 GFAB O=C(CCc1ccncc1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985233 CEHMXEATXRHQMC-HSZRJFAPSA-N 393.487 2.829 0 40 GFAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccc(F)c3F)CC[C@@H]12)NCC(F)(F)F 1565551990 YNLPHPWIHVEYEN-NFAWXSAZSA-N 392.368 2.870 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(COc2ncccn2)CC1 1775969502 VMPDMVOEIPQMEI-UHFFFAOYSA-N 381.885 2.918 0 40 GFAB COc1ccc(C)c2s/c(=N\C(=O)c3ccc(S(C)(=O)=O)cc3)n(C)c12 101042180 YSWUCBPAOQAEQP-HNENSFHCSA-N 390.486 2.701 0 40 GFAB CCc1nc(-c2ccc(N3CCN(C(=O)CCc4ccccc4)CC3)nc2)no1 42380557 XSJNESJONVRAGQ-UHFFFAOYSA-N 391.475 2.975 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2ccc(C)cc2C)nc(=O)[nH]c1C 4317578 DXPYIWATHUSVRM-UHFFFAOYSA-N 375.450 2.603 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCC(C)C)cc1Cl 20068936 HQLCXLFTJRMCIL-LSDHHAIUSA-N 395.916 2.780 0 40 GFAB CCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 879454 YYMYSVLCMUOJGM-QGZVFWFLSA-N 389.521 2.802 0 40 GFAB CCOc1ccc(-n2c(SCC(=O)N(C)C)nnc2-c2ccncc2)cc1 905123 YSFMBZNOPFEAOJ-UHFFFAOYSA-N 383.477 2.908 0 40 GFAB CCOc1ccc(-n2c(S[C@H](C)C(=O)OC)nc3c(c2=O)SCC3)cc1 2719927 VPLDJDBUKMWYRK-LLVKDONJSA-N 392.502 2.933 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2-c2ccccc2)cc1 3325637 RRYXZGINTXLTAY-UHFFFAOYSA-N 380.469 2.974 0 40 GFAB COC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 3381240 XFDGEIWIVDWJSC-UHFFFAOYSA-N 384.356 2.827 0 40 GFAB CC(C)[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC(N)=O 6080710 UNEARSQMYCGNGA-QMMMGPOBSA-N 395.794 2.713 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1 7284890 NEZZPPRFHURTGU-UHFFFAOYSA-N 390.480 2.600 0 40 GFAB COC(=O)c1cc(CNC(=O)Cc2sc(SC)nc2C)ccc1OC 32891593 MTVHNFBLXNHWPU-UHFFFAOYSA-N 380.491 2.828 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)CCCSc2ccccc2)cc1 2622881 PDRMKPOUVXNSAU-UHFFFAOYSA-N 378.519 2.565 0 40 GFAB Cc1ccc(CSCCNC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1 32905253 IYKSIZBYLSZIID-UHFFFAOYSA-N 383.477 2.648 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O 100326379 KVQYKZAGHFWBBH-MHWRWJLKSA-N 395.415 2.631 0 40 GFAB aggregator O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12323791 MTOVUZKDJDSYON-LLVKDONJSA-N 388.349 2.995 0 40 GFAB O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[C@@H](O)C1 103785863 MGNZRUQLGFVWLY-UXHICEINSA-N 377.431 2.888 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@@H]2[C@H]3O[C@H]3[C@@H]1C2(c1ccccc1)c1ccccc1 104100713 OOORWVVNBZMNAB-WTGUMLROSA-N 376.408 2.642 0 40 GFAB CC[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 59824300 WLABPGCFHXWMJU-MRXNPFEDSA-N 375.446 2.742 0 40 GFAB COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)c1 956684 DGVBGZAFKMISMS-KRWDZBQOSA-N 384.461 2.530 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1cccc(F)c1 24016759 JWFKSRFXXDFLSF-MJGOQNOKSA-N 395.438 2.565 0 40 GFAB Cc1csc(CC(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)n1 12558266 HGWUHMHWFVCCPI-UHFFFAOYSA-N 394.500 2.769 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12560084 WHUUEXAALATCGI-SFHVURJKSA-N 389.463 2.914 0 40 GFAB Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)N[C@H]3CCOc4ccccc43)cn12 24315789 LCHOIPZHUUVAKL-HOCLYGCPSA-N 379.416 2.828 0 40 GFAB Cc1cc(C(=O)CN2CCc3ccccc3C2)c(C)n1[C@H]1CCS(=O)(=O)C1 34892247 WTLLMRXZZWAYMR-IBGZPJMESA-N 386.517 2.706 0 40 GFAB Nc1nc(CN2CCO[C@H](c3ccccc3)C2)nc(Nc2ccc(F)cc2)n1 25948653 QYAOAUDMGBEVJN-KRWDZBQOSA-N 380.427 2.910 0 40 GFAB O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)COCc1ccccc1Cl 21559270 ZLNZBBGZHGDVBR-OAHLLOKOSA-N 380.872 2.862 0 40 GFAB CCN(CC(=O)N(C)Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 177555167 ONJGOUTUMOTQCR-UHFFFAOYSA-N 390.505 2.673 0 40 GFAB COc1cccc(N2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]2C)c1 89939368 BPJGLMPJMPOHMT-LSDHHAIUSA-N 377.485 2.646 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)NCc1ccc(-n2ccnc2)cc1 58201525 OEZQODVVVULJTO-UHFFFAOYSA-N 378.457 2.627 0 40 GFAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2)n1 27822956 VTVPDMYSYZRSLY-LJQANCHMSA-N 388.471 2.548 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N(Cc2ccco2)C2CC2)C1 58310307 APNXGHRCUZFZEU-IBGZPJMESA-N 381.432 2.969 0 40 GFAB COCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 2261663 WWAJWCSUTSKONP-UHFFFAOYSA-N 385.851 2.870 0 40 GFAB COc1ccc(C2=NN(C(=O)CNC(C)(C)CO)[C@@H](c3ccc(F)cc3)C2)cc1 36393648 NKWWTEVGXSSQEQ-HXUWFJFHSA-N 399.466 2.873 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(-c3ccccc3)no2)c1 12776757 KDCYVHSVXIFQOC-UHFFFAOYSA-N 386.429 2.949 0 40 GFAB Cc1ccccc1CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 36447644 FQRUVBMELQUDSH-UHFFFAOYSA-N 385.895 2.974 0 40 GFAB COC(=O)c1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCCO2 59120834 SDHSLQIARBBOHY-UHFFFAOYSA-N 377.418 2.744 0 40 GFAB CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1 48288894 AIINKCQZJISZLU-RTBURBONSA-N 376.472 2.777 0 40 GFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2OC)C1=O 3596151 QOEBOPAEEVNCJP-JOCHJYFZSA-N 395.459 2.559 0 40 GFAB CC(C)[C@@H](CNS(=O)(=O)c1ccccc1-c1ccccc1)N1CCOCC1 12971290 YXQBUMRHKZXLOY-HXUWFJFHSA-N 388.533 2.989 0 40 GFAB CCC(CC)[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)N1CCOCC1 13011245 NTRKEVSKXCBYAE-SFHVURJKSA-N 376.497 2.601 0 40 GFAB O=c1[nH]c(CSc2nnnn2-c2ccc(Cl)cc2)nc2ccsc12 6034996 JXBNQALFBGTRJO-UHFFFAOYSA-N 376.854 2.906 0 40 GFAB COc1ccc2c(COC(=O)CNC(=O)c3ccc(C)c(C)c3)cc(=O)oc2c1 6109894 GLEOYWTUUWOHML-UHFFFAOYSA-N 395.411 2.892 0 40 GFAB O=C1CN(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2N1 5112274 IVHJCFYHZQJXEU-UHFFFAOYSA-N 378.306 2.848 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4437081 JGPMUIVEYXHJAE-OAHLLOKOSA-N 384.407 2.923 0 40 GFAB C[C@@H](NC(=O)CSc1n[nH]c(=O)n1C1CC1)C12CC3CC(CC(C3)C1)C2 6498303 AHOSRUZIMWLJHD-UZNLNLPZSA-N 376.526 2.720 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)CSc2nc(CC3CCCC3)n[nH]2)cc1 8752556 HVWOZSCDQPSCRU-UHFFFAOYSA-N 387.509 2.970 0 40 GFAB O=C(CN1CCN(c2ncnc3cc(Cl)ccc23)CC1)N1CCCCCC1 14201032 HCSZYSPHBZGHTN-UHFFFAOYSA-N 387.915 2.808 0 40 GFAB O=C(c1cccs1)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306132405 LHSWZHUQKVLQMB-IRXDYDNUSA-N 378.457 2.666 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 6679027 MENBCDCTWGYTGG-UHFFFAOYSA-N 397.378 2.902 0 40 GFAB CCN1C(=O)C(=C(C)NCCc2c[nH]c3ccccc23)C(=O)N(CC)C1=S 5799793 OYXWBHVIGJFFNP-UHFFFAOYSA-N 384.505 2.570 0 40 GFAB Cc1ccc(OC2(C(=O)NC[C@H]3OCCc4ccccc43)CCNCC2)cc1 77472418 KJEWLGQAIVZUEO-OAQYLSRUSA-N 380.488 2.926 0 40 GFAB O=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 15470079 GLPDTOOSCHNPEQ-IBGZPJMESA-N 395.434 2.808 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 7229145 JFZGJXXPJZUJBW-NRFANRHFSA-N 384.480 2.726 0 40 GFAB O=C(NCc1ccccn1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 8993615 MHYSNRABMNNTRP-UHFFFAOYSA-N 376.460 2.914 0 40 GFAB CC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 7781651 YBSNWMWYABDESZ-KRWDZBQOSA-N 395.521 2.842 0 40 GFAB CCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)NC(C)C 16563442 ROWYEDXJVZXMAA-UHFFFAOYSA-N 381.325 2.614 0 40 GFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 71284873 LZBLDEJBRXMYHI-ROUUACIJSA-N 380.444 2.954 0 40 GFAB c1ccc(Cc2nnc3n2C[C@@H](NCc2c[nH]nc2-c2cccnc2)CC3)cc1 96000248 XLWCWJKOUSGRPZ-IBGZPJMESA-N 385.475 2.759 0 40 GFAB Cn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nnc1-c1ccco1 9377020 IRDHMWDPJVJSKJ-UHFFFAOYSA-N 385.449 2.614 0 40 GFAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1 9419083 MAINIPGPJCBMKS-SFHVURJKSA-N 381.432 2.577 0 40 GFAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857062 FSKQVKXZHCHXGP-HXUWFJFHSA-N 386.517 2.587 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1 408553174 ORUZCJATLLVJEY-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3nccs3)cs2)cc1 9819502 FSVLUEXLNPIMGO-UHFFFAOYSA-N 394.503 2.890 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C(=O)NC1CC1)CC2 72285732 LDDPZSMIQWZQNS-GOSISDBHSA-N 386.473 2.518 0 40 GFAB COC(=O)c1cn([C@H]2CCN(C(=O)CCc3cccc(Cl)c3Cl)C2)nn1 97137993 UYXOAPFXGGEIOU-LBPRGKRZSA-N 397.262 2.778 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 95473427 PCGIFIUYJFJYKO-CQSZACIVSA-N 392.415 2.731 0 40 GFAB COc1ccc(O)c(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 408628351 RNSWKATZTJPMOY-UHFFFAOYSA-N 392.433 2.553 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(CCc2ccccc2)ccn1 95408782 GUIKJZYFSWEQEX-GOSISDBHSA-N 387.505 2.619 0 40 GFAB CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 95945859 ASCWWYVWVVHTSO-ZCFIWIBFSA-N 377.087 2.805 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 409383811 ISELLNQPLJFPMD-AWEZNQCLSA-N 390.461 2.575 0 40 GFAB CN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)[C@H]1CCCc2ccccc21 29950511 RLDXFYCRONZYOA-KRWDZBQOSA-N 397.866 2.618 0 40 GFAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)cc1 409145397 HTMKSJVBIARBPH-RIYZIHGNSA-N 387.369 2.854 0 40 GFAB C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCOc2ccccc21 552066717 MTODYMWUFFSZTP-PERKRYKHSA-N 394.471 2.833 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)C1(c2ccccc2)CCOCC1 32712172 PZGRSKIHNFZCMF-UHFFFAOYSA-N 394.515 2.883 0 40 GFAB CC(=O)N1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)CC1 35315180 DIGXGXOVYTUBQO-UHFFFAOYSA-N 379.439 2.693 0 40 GFAB O=C(c1nccs1)C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 72334835 JCBZGIUJOGLNTQ-UHFFFAOYSA-N 385.445 2.563 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccn(C)n3)c3cnn(C)c3n2)cc1 36613504 SPOMAXYBUWRRQK-ZDUSSCGKSA-N 390.447 2.868 0 40 GFAB NC(=S)[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 218186568 MXTLARLGSJBSQP-XHSDSOJGSA-N 395.889 2.911 0 40 GFAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1cccc(C(F)(F)F)c1 211095130 VDQDGLVFGDDMLF-UHFFFAOYSA-N 386.399 2.574 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@H](O)c2csc3ccccc23)cn1C 225697034 LLPKXBXBLMSUOD-AWEZNQCLSA-N 379.507 2.770 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223610410 YDVXHZNPTKMEKG-VQTJNVASSA-N 393.516 2.681 0 40 GFAB COCc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 224226385 HEVFNRUZZQRHEQ-UHFFFAOYSA-N 392.477 2.781 0 40 GFAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cncc(Br)c1 226264100 CTCYEDLRMASWGG-UHFFFAOYSA-N 391.269 2.824 0 40 GFAB Cn1nc(C2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)n(C2CC2)c1=O 77148354 IXXBLHVWOGJMLR-RMKNXTFCSA-N 386.883 2.990 0 40 GFAB COc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)ncn1 77200584 KRRBDNQDCVVLPA-CYBMUJFWSA-N 396.476 2.859 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c1C(F)F 576963899 YWCUEBDSMZWQIW-RNCFNFMXSA-N 391.465 2.708 0 40 GFAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)ccc2nsnc12 96231630 OBSMLAGYEWXCDS-SNVBAGLBSA-N 388.401 2.829 0 40 GFAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCNC(C)=O)CCCO2)c1 257251538 JRDXNYIWCJIXDL-HSZRJFAPSA-N 396.487 2.706 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 257231862 GILGIGGPIDDBCF-HXUWFJFHSA-N 378.480 2.517 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccc(C)cc3)s2)C1 260772500 YWOSQEYQFDFKJN-AWEZNQCLSA-N 394.522 2.514 0 40 GFAB Cc1ccc(NC(=O)N2CCOc3cc(F)ccc3C2)cc1S(C)(=O)=O 626461777 SXYIKTGTCBPNKU-UHFFFAOYSA-N 378.425 2.964 0 40 GFAB CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1cccc(OC3CC3)c1F)CC2 664186898 SMDLYRMQGBMKDT-CQSZACIVSA-N 387.459 2.896 0 40 GFAB CCC1(N2CCOCC2)CCN(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 685939070 KTJZQFGLFZSMKN-WMZOPIPTSA-N 375.916 2.978 0 40 GFAB Cc1cc(NC(=O)CN2CCN(c3nccs3)CC2)ccc1Br 57463405 GGVOWAZVJXLQRI-UHFFFAOYSA-N 395.326 2.975 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1 57449748 SGCXMMCUOJZEMD-UHFFFAOYSA-N 397.475 2.667 0 40 GFAB COc1cc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cc(OC)c1OC 58323334 NTHKFKHMINZTFE-IYBDPMFKSA-N 379.453 2.513 0 40 GFAB CCOCCCn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 5164512 FQVSXEHKLJBOBS-CQSZACIVSA-N 398.463 2.929 0 40 GFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)cc1 12472040 TXGHNMGEUFVTHQ-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cccc(C(C)=O)c1 13582911 WRKHRMPLEWKZRE-UHFFFAOYSA-N 376.434 2.546 0 40 GFAB COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 15056616 KEBGQOUSAFQVAX-YBEGLDIGSA-N 383.429 2.851 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C(=O)C1CCCCC1)C2 19017272 MZJAUTOPMONFII-GOSISDBHSA-N 386.496 2.721 0 40 GFAB COc1ncc(CN2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)cn1 19446708 IPCAKGOHVHMTOT-OAQYLSRUSA-N 397.523 2.996 0 40 GFAB Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@H]4CCCN(C)C4)C3)cc12 19711001 SFJAWUVUXAUEDZ-HNNXBMFYSA-N 378.480 2.533 0 40 GFAB Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)ccc1F 19711125 OVPKBGKVRXYYFF-SFHVURJKSA-N 399.514 2.900 0 40 GFAB Cc1nn(C)c2nc(C3CCN(C(=O)[C@H](C)Cn4ccnc4C)CC3)ccc12 19744596 LEYWEUXXGUFLAV-CQSZACIVSA-N 380.496 2.824 0 40 GFAB CC(C)(C)N1C(=O)OC2(CCN(C(=O)c3cc(-c4ccco4)on3)CC2)C1=O 1889021139 SHEHKYBJZGTOQJ-UHFFFAOYSA-N 387.392 2.687 0 40 GFAB COc1ccc(Oc2cc(N[C@H](C)C(=O)N3CCNC3=O)ccc2OC)cc1 25152446 GEEXZPWUGDPMKZ-CYBMUJFWSA-N 385.420 2.848 0 40 GFAB CCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O 4370393 ZSQCOFDNAMBVSD-UHFFFAOYSA-N 395.463 2.646 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)cn1 2055837507 WLUNRGMIIJRTEK-IFMALSPDSA-N 380.492 2.681 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 100179108 RSGURPYXAJJYPG-FAKFISEUSA-N 393.414 2.851 0 40 GFAB Cc1cc(O[C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc(C)n1 575609095 IYMICCJOEVEMIW-HXUWFJFHSA-N 396.491 2.614 0 40 GFAB COc1cncc(O[C@H]2CCCN(C(=O)c3ccc(Br)o3)C2)n1 225497651 HSEYMAUXGZIWKG-JTQLQIEISA-N 382.214 2.524 0 40 GFAB O=C(c1cnns1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 40151810 LCJQJKHVFLSDTE-UHFFFAOYSA-N 391.806 2.958 0 40 GFAB CCc1nn2c(=O)c3c(cc(C)n3CC(=O)NCCC3=CCCCC3)nc2s1 51357955 FBLZZZBCYAOERL-UHFFFAOYSA-N 399.520 2.983 0 40 GFAB CNC(=O)c1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 16204808 WHPZPOPHXOZBPW-UHFFFAOYSA-N 396.422 2.544 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1OC 916964 PFPNLUCXNIHBMS-UHFFFAOYSA-N 388.449 2.501 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 1368277 VOMAXTBUFOVQAG-GJZGRUSLSA-N 388.555 2.669 0 40 GFAB O=C(NCCNc1nc2ccccc2s1)[C@H]1CCCN(c2cnccn2)C1 32828093 FJAPVQTWOAQKLG-AWEZNQCLSA-N 382.493 2.531 0 40 GFAB CC1CCN(C(=O)CSc2nnc3cc(-c4ccccc4)nc(N)n23)CC1 4966036 RXRUQFVCDMKGBU-UHFFFAOYSA-N 382.493 2.724 0 40 GFAB NS(=O)(=O)c1ccc(Nc2nc3sc4c(c3c(=O)s2)CCCC4)cc1 2668811 MKSMRQPMZOYUBP-UHFFFAOYSA-N 393.515 2.988 0 40 GFAB CO[C@@H](CNS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1C 101322449 LIHXQLJIMSHIEZ-SYNHAJSKSA-N 379.522 2.997 0 40 GFAB Cc1ccc2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)c(C)nc2c1 32924430 CZUONSVKEWWODZ-SFHVURJKSA-N 381.476 2.563 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCc4sccc4C3)ccc2N1S(C)(=O)=O 12216108 KQRRKEHPUDAMFY-GFCCVEGCSA-N 376.503 2.657 0 40 GFAB CCn1nccc1CN(C)C(=O)CCS(=O)(=O)c1ccc2ccccc2c1 2809432 PNACHKHVDAKGDP-UHFFFAOYSA-N 385.489 2.879 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)cc1C 677094 XFNNSLVUUZITOF-UHFFFAOYSA-N 376.434 2.908 0 40 GFAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 810130 SVFJSPGPKBKHIS-OAHLLOKOSA-N 384.929 2.999 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(C)(C)C)cc1 22531945 IAOLZJWOVGTZCV-DOTOQJQBSA-N 395.569 2.680 0 40 GFAB O=C(COc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156070 OQFPZWSEIPQXJB-IYBDPMFKSA-N 393.447 2.996 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1C 8163584 PUXBZXLTIBTYHC-UHFFFAOYSA-N 384.480 2.812 0 40 GFAB C[C@H]1CN(c2ccc(C(=O)Nc3cccnc3-n3cccn3)cn2)C[C@@H](C)O1 25012600 DWEZDJOXBWVLHG-GASCZTMLSA-N 378.436 2.528 0 40 GFAB COc1ccc([C@@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297620 DDGOVFYOCFWWNZ-OAHLLOKOSA-N 379.405 2.601 0 40 GFAB CCOc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 10449775 RKFGTDXTFNKSOY-OAHLLOKOSA-N 388.489 2.829 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 57427241 VQTBAMSBRIWQPA-UHFFFAOYSA-N 393.415 2.942 0 40 GFAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(NC(C)=O)cc1 57505180 IEFSNIQFZPNEII-UHFFFAOYSA-N 388.474 2.777 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3388778 RQFIFTJPCUCHEW-GOSISDBHSA-N 379.460 2.510 0 40 GFAB C[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 58131929 YEKOVALBLFTBDI-JLSDUUJJSA-N 399.491 2.583 0 40 GFAB COc1cccc([C@H]2c3c(-c4ccc(C)cc4)nnc(O)c3Nc3nnnn32)c1 10232576 GZKCKZNXFJOCIW-SFHVURJKSA-N 387.403 2.847 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1C 408555753 GBFINGDPHOVLFP-OAHLLOKOSA-N 382.526 2.709 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3[nH]cnc3c2)c1 12737291 YBTHZULXSSCWBP-UHFFFAOYSA-N 388.449 2.551 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccnc1OCc1ccccc1)CS2 48231785 PWUZVOMCFSQLBL-LAUBAEHRSA-N 397.500 2.731 0 40 GFAB O=C(NC(=S)NNc1ccccc1)c1cccc(I)c1 408629100 ZFLCXPJJKLWFSC-UHFFFAOYSA-N 397.241 2.923 0 40 GFAB COc1cc(CNC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccn1 45521639 YGSIHTILJLXQOJ-UHFFFAOYSA-N 382.464 2.503 0 40 GFAB Cn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2c1=O 36624343 OOBWJMKCNOLACB-UHFFFAOYSA-N 396.878 2.545 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccccc1S(=O)(=O)C(F)F 2400569 IIHZTGMHLLEDQD-OAHLLOKOSA-N 399.371 2.981 0 40 GFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc(F)c2)cc1 2449130 GPYNCHCTKNPLMU-UHFFFAOYSA-N 379.391 2.843 0 40 GFAB CC(=O)Oc1cccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)c1 27022026 UTRSSFOCRVCZEE-UQQCGOLSSA-N 395.465 2.856 0 40 GFAB CCOCCCn1c(SCC(=O)NC(C)(C)C)nc2ccccc2c1=O 3500264 WCIJKUQRWOUNTR-UHFFFAOYSA-N 377.510 2.830 0 40 GFAB O=C(O)c1sccc1S(=O)(=O)NCCCc1nc2ccccc2s1 12916273 YFIPLDJVDKNABO-UHFFFAOYSA-N 382.488 2.967 0 40 GFAB CN(Cc1ccccc1Cl)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 12998185 WXQGANCSQRPPMK-UHFFFAOYSA-N 378.881 2.934 0 40 GFAB O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)NCc1ccccc1 8345885 VUEHZIDJFJGSHM-KRWDZBQOSA-N 392.436 2.888 0 40 GFAB C[C@@H](NC(=O)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2)c1ccccc1 13731686 VJPKFAHSKASGTD-ZBFHGGJFSA-N 387.505 2.613 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(CN2CCCC2)cc1 39983286 IZWMXPGSWATHHT-HXUWFJFHSA-N 383.492 2.946 0 40 GFAB Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1S(=O)(=O)N1CCCCCC1 13930276 GGXAVIWQKKFUKQ-UHFFFAOYSA-N 389.477 2.500 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 5341825 PWTZRXHLRBHKHD-NRFANRHFSA-N 399.878 2.900 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)c2ccccc2O1 14198746 OMOWHWLPIMBMKL-MRXNPFEDSA-N 395.242 2.912 0 40 GFAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 14202296 MMLDDMBDHCTGHA-UHFFFAOYSA-N 388.489 2.685 0 40 GFAB CN(C)C(=O)CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 14236102 FEVWLJJAFLDEST-UHFFFAOYSA-N 375.476 2.507 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)c(Br)c1 5540774 RFQAYENYBQTZJH-UHFFFAOYSA-N 397.269 2.642 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6931454 STZXYKYIMAPQGU-WBVHZDCISA-N 391.464 2.809 0 40 GFAB COCCn1c(SCCO)nc2scc(-c3ccc(F)cc3)c2c1=O 7038154 FPHKFSZBPNLDLU-UHFFFAOYSA-N 380.466 2.995 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2F)C2CC2)cc1 19296132 NIDCLZUUPUCCDG-UHFFFAOYSA-N 390.480 2.946 0 40 GFAB O=C(COc1ccccc1P(=O)(O)O)Nc1ccccc1C(F)(F)F 9184369 GAFDGQORYPFURN-UHFFFAOYSA-N 375.239 2.526 0 40 GFAB in-vitro C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 89919956 MPKBVGFPVAUORT-VFNWGFHPSA-N 380.444 2.654 0 40 GFAB Cc1cccc(C(=O)N[C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 9502058 PRLWQZCVTNYDLC-CQSZACIVSA-N 387.867 2.864 0 40 GFAB CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 409129381 JKZDHSRRFLZEMO-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB O=C(CN1CCCc2cc(-c3ccccc3)ccc21)NCC(=O)N1CCCC1 95415845 SHHFEEUWVCHSAH-UHFFFAOYSA-N 377.488 2.845 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1C(F)F 95463542 WXYBHZMIPCIRKD-UHFFFAOYSA-N 392.387 2.861 0 40 GFAB CC(=O)N(C)C1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 78883321 XECCTSIRJGMZMO-GOSISDBHSA-N 385.552 2.799 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1 95988856 QSOPVTUYEPEZEE-UONOGXRCSA-N 396.509 2.908 0 40 GFAB COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 95976012 JURLXIYGSCLMMP-AAEUAGOBSA-N 387.807 2.815 0 40 GFAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)C(=O)Nc1ccccc1 408562105 MTKSFCSUYZQCPI-UHFFFAOYSA-N 383.429 2.943 0 40 GFAB Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 23694581 BAFNNWJMRROISX-QGZVFWFLSA-N 378.476 2.943 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 408587454 BYFXDPRDYHOVCW-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218532086 PKUDCTXBOKGATM-AOIWGVFYSA-N 393.892 2.788 0 40 GFAB O=C(CN1CCN(c2ccnc3cc(F)cnc23)CC1)Nc1ccc(F)cc1 552912511 SWFUSMYBMIVLQC-UHFFFAOYSA-N 383.402 2.669 0 40 GFAB COc1ccccc1N1C(=O)C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C1=O 38830224 YCUBEXORFBNLIE-LJQANCHMSA-N 375.428 2.867 0 40 GFAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 38752699 GARXEJMSRPHZHC-AWEZNQCLSA-N 394.468 2.647 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCc2ccncc2)CC1 35361628 FCNSXFRRYDMWRH-UHFFFAOYSA-N 399.438 2.649 0 40 GFAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)NCc1cccs1 72346860 SBPHCSVNCTVVTQ-UHFFFAOYSA-N 384.486 2.686 0 40 GFAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CN(C)CC2 72372196 GNLWBBWQFONGAY-IBGZPJMESA-N 397.498 2.942 0 40 GFAB COc1ccccc1N(CCCC(=O)N(C)Cc1ccccc1)S(C)(=O)=O 222576247 MKVYKOBYFQVFAB-UHFFFAOYSA-N 390.505 2.900 0 40 GFAB Cc1nn2c(nnc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40391963 VODHPKWDTAAELN-QGZVFWFLSA-N 395.394 2.835 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1 225790345 NFCRVVVNSLMKFQ-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB CCOc1cc(=O)c(C(=O)Nc2ccc(N(C)C)cc2)nn1-c1ccccc1 49407621 AGOKOZFWQITLJF-UHFFFAOYSA-N 378.432 2.950 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccco1 222770234 VHRFDTRHZVOOOS-SFHVURJKSA-N 394.493 2.582 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 44949595 HKODMPJPFWQXPR-GFCCVEGCSA-N 380.441 2.624 0 40 GFAB COc1ccc([C@H](N)c2n[nH]c(-c3ccc(Br)o3)n2)cc1OC 95533896 ULSAODZKPMHVBU-ZDUSSCGKSA-N 379.214 2.893 0 40 GFAB O=C(c1ccccc1)N1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244219 AKRSTMPCUVSIMD-QFIPXVFZSA-N 390.443 2.996 0 40 GFAB CCCNC(=O)c1ncn2c1CN(CCC(C)C)S(=O)(=O)c1ccccc1-2 96266258 MLESVMKZCCNRDA-UHFFFAOYSA-N 390.509 2.563 0 40 GFAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nnc([C@@H]2CCCO2)s1 96118525 ISYQVVGXHXWYNM-HNNXBMFYSA-N 385.449 2.941 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CO)C(=O)O)cc1 242463761 DJQDJPLCMLCLDM-ZHALLVOQSA-N 394.876 2.905 0 40 GFAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)C2CCSCC2)C3)n1 247850660 ALRVPNIHKDUMIW-SFHVURJKSA-N 376.522 2.810 0 40 GFAB C[C@H]1C[C@@H](CO)CCN1C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 583876277 LRSIROWIDNAGAN-KBPBESRZSA-N 380.448 2.574 0 40 GFAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCc1ccccc1N1CCOCC1 584237332 UXDMPQLZRLGSDW-UOYQGRGCSA-N 398.547 2.903 0 40 GFAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)ccnc12 257299989 RSLDRJGLIGPDBW-MRXNPFEDSA-N 399.401 2.735 0 40 GFAB CCn1c(CCCC(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)nc2ccccc21 257227963 FRTNPFYZOKEXMD-PMACEKPBSA-N 395.507 2.800 0 40 GFAB CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccnc(N2CCOCC2)n1 624353122 GNUGIRHRLWEVPB-UHFFFAOYSA-N 381.263 2.892 0 40 GFAB CC(C)C[C@H](C(=O)O)C(=O)N[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 670419318 QZXLHNSJIRRTJP-JKSUJKDBSA-N 378.469 2.943 0 40 GFAB O=C1CCCN1C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 585095370 RONMMKVPYJDRQS-QPRVAFDKSA-N 382.508 2.605 0 40 GFAB O=C(NC1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1)c1cccnc1 585104362 LEXPUNKRFVVGNB-UHFFFAOYSA-N 381.451 2.964 0 40 GFAB CSc1nnc([C@@H]2CCCN(CC(=O)N3CCCc4ccccc43)C2)n1C 5001429 XSJJWGURFPJKPW-MRXNPFEDSA-N 385.537 2.696 0 40 GFAB CCc1nnc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)s1 5033869 XMPYYRMMFQRUJO-QMMMGPOBSA-N 395.901 2.849 0 40 GFAB CCc1nn(CC(=O)N2CCc3ccccc3C2)c(=O)c2cc3ccsc3n12 12114297 WZIZSFPZLHAJTL-UHFFFAOYSA-N 392.484 2.858 0 40 GFAB CCc1cc(N2CCN(c3ncccn3)CC2)n2nc3nc(C)cc(C)c3c2n1 12184404 FQTZPJHKLHNKLX-UHFFFAOYSA-N 388.479 2.573 0 40 GFAB Cc1cccc2c(=O)c(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12 13565890 PPVIOSWKSSZQRB-UHFFFAOYSA-N 386.452 2.921 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)n1 14164663 BNYJQJFDHIRLRC-AWEZNQCLSA-N 394.460 2.796 0 40 GFAB CC[C@H]1CCc2sc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2C1 15613793 CSCNTWHIPNRVFD-LBPRGKRZSA-N 378.519 2.840 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(C)cc(C)c2)c1 16269184 XRWDURUYEZHWSP-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB COc1cccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)c1 19928585 DWGSNRABFWWFFU-UHFFFAOYSA-N 378.435 2.845 0 40 GFAB CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929799 GKPWLWXYUPCQJY-UHFFFAOYSA-N 390.505 2.673 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 19933188 KJILOBHFLIIXIM-ZDUSSCGKSA-N 393.461 2.671 0 40 GFAB COC(=O)c1ccc([C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C(F)(F)F)cc1 548175573 SFYNAHORAUIPCH-OWCLPIDISA-N 399.413 2.955 0 40 GFAB COc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC[C@@H]4CCCO4)C3)nn2)cc1 22481595 DUOONASBQCJNCJ-HKUYNNGSSA-N 396.491 2.664 0 40 GFAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)s1 10556093 TXKZRXARMGFJLL-UHFFFAOYSA-N 393.412 2.777 0 40 GFAB COCC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)/C=C/c3cccs3)C[C@H]12 1565555778 HGIMXBINPVMUIS-INMSQMTDSA-N 387.505 2.623 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@@H]21 1565554530 UNMWHKABKGHRJC-RYQLBKOJSA-N 387.867 2.966 0 40 GFAB O=C(NCc1cccs1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941634 BNZUEPNNSXNEGX-UHFFFAOYSA-N 384.486 2.936 0 40 GFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 5136744 ADYLOMRJGYEPJV-UHFFFAOYSA-N 398.440 2.758 0 40 GFAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1 5251770 BANAAFQETMAAIQ-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB CN1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(F)cc23)CC1 20381843 WIHDZOOQWGIZTE-UHFFFAOYSA-N 385.464 2.959 0 40 GFAB Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1cccc(I)c1 100103541 LCHZZRAOQUNWQK-KPKJPENVSA-N 379.153 2.956 0 40 GFAB Cc1nc2sc([C@@H](c3ccccc3)N3CCC4(CC3)OCCO4)c(O)n2n1 4120703 YOKPZSITRFRTKJ-OAHLLOKOSA-N 386.477 2.733 0 40 GFAB CC[C@@H](C)n1c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S 100747926 HHYFLAYINTXGAI-HWPZZCPQSA-N 391.493 2.835 0 40 GFAB biogenic COc1ccc(Br)cc1S(=O)(=O)N(CCO)c1ccccc1 31647942 AFPZMRHXKLWQJU-UHFFFAOYSA-N 386.267 2.645 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1cc(C)ccn1)C(F)(F)F 20426671 LGZVXRSPODHNEP-KRWDZBQOSA-N 397.353 2.672 0 40 GFAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H]1c1cccnc1 31942209 OKHVYJGMDYHDDE-IBGZPJMESA-N 385.489 2.843 0 40 GFAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)N1CCOCC1 46269772 JHADPVDOMHHMMO-NSHDSACASA-N 381.835 2.893 0 40 GFAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1)N1CCc2ccccc21 1345935 URYHHQZTGMEBAC-MRXNPFEDSA-N 388.464 2.816 0 40 GFAB O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 101942947 BFGFHFHYJJEWTJ-IKVWTGGYSA-N 398.846 2.531 0 40 GFAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 6023228 AWCMYYSPJYXZCN-UHFFFAOYSA-N 388.489 2.589 0 40 GFAB CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)NC(=O)N[C@]1(O)C(F)(F)F 6439217 YXVBNKFETFKJDP-GRDNDAEWSA-N 382.338 2.624 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(OC)c2)cc1 6880339 JBMCMVOWYDWDRU-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 7077828 UVBDAPLEAUFQNK-AWEZNQCLSA-N 392.477 2.790 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)NCc1nnc2n1-c1ccccc1CC2 32803206 SOFNTSMHEIODKC-UHFFFAOYSA-N 386.459 2.889 0 40 GFAB CCOC(=O)[C@H](CC(C)C)NC(=O)CCCCSc1ncnc2nc[nH]c12 8635210 NMRIDGAOSTVNBE-ZDUSSCGKSA-N 393.513 2.709 0 40 GFAB CCn1ccnc1S[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 21830274 QFCKWFFTHLSKSC-CYBMUJFWSA-N 396.538 2.581 0 40 GFAB C[C@@H]1C[C@@H](NC(=O)c2ccc3oc(N(C)C)nc3c2)C(=O)N1c1ccccc1 89920120 NUYBNGDGXJWWLC-CXAGYDPISA-N 378.432 2.818 0 40 GFAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ncc2c(n1)CCCC2=O 9287339 RCQADRDOCNFCSB-UHFFFAOYSA-N 378.476 2.889 0 40 GFAB CCOC(=O)N1CCN(c2nc(C)nc3c2cnn3CCc2ccccc2)CC1 646860 IPLUAGSYMOAOCH-UHFFFAOYSA-N 394.479 2.656 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccc1OC 20030181 CCTLCFDKZGWEMX-ZDUSSCGKSA-N 392.477 2.591 0 40 GFAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]23)c1OC 102545325 NCPIHPKANQWILO-QFBILLFUSA-N 380.400 2.613 0 40 GFAB O=C(NCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)c1cc(F)cc(F)c1 57155700 RWIINWQAEKVXCH-UHFFFAOYSA-N 387.361 2.900 0 40 GFAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 57472098 GUERJGBSWKNESM-UHFFFAOYSA-N 386.423 2.648 0 40 GFAB C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(-n2ccnc2)cc1 12549539 YNBSYBKFCCZDMH-MRXNPFEDSA-N 377.448 2.595 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCCN12 35855754 PECOTYWKYPEQDY-HCXYKTFWSA-N 378.403 2.661 0 40 GFAB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(O)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664407 VCHULGRMZLQLLR-MPGHIAIKSA-N 394.349 2.805 0 40 GFAB C[C@H]1CN(C[C@H](O)CSc2nnc3sc4ccccc4n23)C[C@@H](C)O1 58291476 FXEHGUDJECJREL-XQQFMLRXSA-N 378.523 2.506 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1OCc1cccnc1 36391849 KUWYLSVWHVQFOA-QGZVFWFLSA-N 383.448 2.866 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CCN1C(=O)COc2ccccc21 45574704 GEWIONTUEGPSRM-UHFFFAOYSA-N 382.416 2.580 0 40 GFAB COC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 12755469 OGZIDBJTEPAANP-ZDUSSCGKSA-N 380.441 2.700 0 40 GFAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 3464426 QLILNSVZTJHXES-LJQANCHMSA-N 377.872 2.946 0 40 GFAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3N)c(O)n2)c1 3491453 AVPZMYMIPXTSMM-UHFFFAOYSA-N 395.444 2.760 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc(OC)c1OC 3452042 GMVFXESFDWQGKM-UHFFFAOYSA-N 381.331 2.786 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 12997515 LJTQETKAIFHKRJ-QGZVFWFLSA-N 387.457 2.839 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCCC1 13017492 QFTKWSVXTYLSIN-KRWDZBQOSA-N 377.510 2.589 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 8726022 BUOGICPLIXPEHY-LLVKDONJSA-N 382.497 2.831 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccc2O)N1Cc1ccncc1 13693636 KNHDSTLDZWISEX-GHTZIAJQSA-N 396.468 2.636 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2OC)c1 8745248 ZJEMHYUMUVNZCV-UHFFFAOYSA-N 379.434 2.520 0 40 GFAB Cc1nnc(SCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)s1 18974691 MYCZHWDQHGLCED-UHFFFAOYSA-N 388.971 2.998 0 40 GFAB COc1ccc(CNC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 14181221 KZKJVOBARUSLGE-UHFFFAOYSA-N 383.423 2.871 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2c(OC)cccc2OC)c1 5537662 XNESCHVUSSKDFI-UHFFFAOYSA-N 387.388 2.594 0 40 GFAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)NCCCn1ccnc1 6660879 AQRXAUZPKQTQCQ-SSZFMOIBSA-N 384.461 2.516 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 6654033 KDSWKEMDUYJKMQ-UHFFFAOYSA-N 398.850 2.606 0 40 GFAB CCOC(=O)N1CCN(c2nc(Nc3ccc(C)cc3)c3nccnc3n2)CC1 9074145 GFYCURXZFJXZTR-UHFFFAOYSA-N 393.451 2.750 0 40 GFAB COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1OC 4954402 FNNFAEUEMHYZNE-CQSZACIVSA-N 389.404 2.667 0 40 GFAB C[C@H]1CCCCN1C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 6947453 RAVKUWKOHRKEES-AWEZNQCLSA-N 379.507 2.739 0 40 GFAB Cc1cc2nc(SCC(=O)NCc3ccc(C)o3)n(CC(C)C)c(=O)c2[nH]1 67239391 WAAXEIGZNOKART-UHFFFAOYSA-N 388.493 2.999 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7051232 YDMVIKRMIYZLCP-UHFFFAOYSA-N 392.433 2.616 0 40 GFAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 7426193 UJWVAAGMCVKXRO-JOCHJYFZSA-N 379.460 2.829 0 40 GFAB C[C@@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1ccc2c(c1)CCCC2 7835382 DLONFNPNFWNPIZ-OAHLLOKOSA-N 377.448 2.797 0 40 GFAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCCc4ccccc43)c2)C1=O 19797485 KUGWDGHZIYXTIU-UHFFFAOYSA-N 398.484 2.982 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NCc3ccco3)cc2)no1 17080137 HNDUTQLBCRPCFC-UHFFFAOYSA-N 392.462 2.863 0 40 GFAB COc1c(F)c(F)cc2c(=O)c(C(=O)N3CCSCC3)cn(C3CC3)c12 9482114 AOKZVBMQAKJOLZ-UHFFFAOYSA-N 380.416 2.812 0 40 GFAB C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccc2c(c1)CCCC2 9586802 WLTMYHFAVSFOSB-HNNXBMFYSA-N 376.460 2.938 0 40 GFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C 84098872 QJJLXXYZZMLSRU-INWMFGNUSA-N 388.489 2.649 0 40 GFAB CCC[C@@H](CC(=O)OC)NC(=O)[C@@H](NC(=O)c1ccc(OCC)cc1)C(C)C 95459300 WJGYDUZFPKODNO-LPHOPBHVSA-N 392.496 2.688 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)C2)n[nH]1 95966407 VLHJZKSYWQBUSY-AWEZNQCLSA-N 393.455 2.513 0 40 GFAB CC(C)N1C[C@]2(CCN(Cc3ccco3)C2)Oc2ccccc2S1(=O)=O 306134537 NQOWHFLIKUGEQQ-LJQANCHMSA-N 376.478 2.716 0 40 GFAB CC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 113937293 KVKQEDUFDZCSEB-AWEZNQCLSA-N 394.468 2.944 0 40 GFAB Cc1cc(=O)oc2ccn(CCSCc3nc(O)c4ccccc4n3)c(=O)c12 1547204210 QTUAFCSTBLLUKS-UHFFFAOYSA-N 395.440 2.845 0 40 GFAB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)C(Cl)(Cl)Cl 22402130 PMLUUQLQQKOAEZ-UHFFFAOYSA-N 396.727 2.702 0 40 GFAB CCCNC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1CC 64987267 OFOZZGSQUQCWNQ-UHFFFAOYSA-N 376.482 2.745 0 40 GFAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccccc1 22510140 KYOILZZNFWMKDV-UHFFFAOYSA-N 389.458 2.683 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC3CCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325503 YFZHVYPZDAJLGY-QGZVFWFLSA-N 387.505 2.891 0 40 GFAB COc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 35485481 XTBCBWSEAIHGDV-NRFANRHFSA-N 393.487 2.587 0 40 GFAB O=C1COc2ccc(S(=O)(=O)N[C@H]3CCSc4ccccc43)cc2N1 32444841 VKWBJWNFWOHVHE-ZDUSSCGKSA-N 376.459 2.533 0 40 GFAB CC(C)n1cc([C@H]2OCC[C@@H]2NC(=O)NCc2cnc(C(F)(F)F)nc2)cn1 1552478201 DBLAHXDUTYGKBD-UONOGXRCSA-N 398.389 2.602 0 40 GFAB CCc1nc2cc(CNC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)ccc2n1C1CC1 556443653 AXHWFBZKDAFIND-WOJBJXKFSA-N 397.523 2.548 0 40 GFAB COc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OC(F)F 532252626 PAYFYLLUQBAOMO-UHFFFAOYSA-N 377.343 2.649 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217531904 WVCNMKVMTCQZPE-ZIAGYGMSSA-N 392.477 2.871 0 40 GFAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 32928062 NMTGKJHLWUBEOY-LBPRGKRZSA-N 382.869 2.968 0 40 GFAB Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C3CCCCC3)C2)c1 1561784698 DSLKRFUXIGRWNN-QGZVFWFLSA-N 389.525 2.858 0 40 GFAB COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccc(Br)cc2)cc1OC 72227058 GKKFWSBKQFYQAP-IAGOWNOFSA-N 391.265 2.877 0 40 GFAB CCCc1nc(C)sc1C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 72402382 FKTHJEIDRYIKQS-GFCCVEGCSA-N 382.511 2.521 0 40 GFAB Cc1cc(C)n(CC(=O)Nc2ccccc2-c2ccccc2)c(=O)c1C(N)=O 32859748 FJSMPLAJDUUHPV-UHFFFAOYSA-N 375.428 2.870 0 40 GFAB O=C(CN1CCCC1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 72378341 RMBHUJYNIHFQEM-FQEVSTJZSA-N 386.471 2.930 0 40 GFAB CC(C)Cn1cnc(I)c1I 218703333 GHCXYSWSRUQEKH-UHFFFAOYSA-N 375.979 2.748 0 40 GFAB CC(=O)N1CCc2cc(C(=O)Cn3nc(-c4ccc(F)cc4)ccc3=O)ccc21 40286554 XNJJZYKZOFHFQK-UHFFFAOYSA-N 391.402 2.841 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)O2 44934289 WCWYCTAAZYDYPP-SCLBCKFNSA-N 392.452 2.539 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N(C)C)cc2)c1=O 40478558 CNSUKTMTHLTLJQ-UHFFFAOYSA-N 394.475 2.524 0 40 GFAB CCSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44938707 NZIVLTMEWXKIAT-INIZCTEOSA-N 392.502 2.964 0 40 GFAB O=C(CS(=O)(=O)c1cccc(Br)c1)NCc1ccccc1F 40106474 LXNTYUIKYWHZLE-UHFFFAOYSA-N 386.242 2.678 0 40 GFAB Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1NS(C)(=O)=O 225040982 OZUDPHPHHRWTFY-UHFFFAOYSA-N 391.474 2.532 0 40 GFAB Cc1ccc(N2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)nn1 96217024 ZAEJXQUALOOJLO-IBGZPJMESA-N 390.484 2.605 0 40 GFAB CC(C)CNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 244540539 ZYHVYFLYUDHKPS-UHFFFAOYSA-N 390.505 2.804 0 40 GFAB CNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cccc(F)c2)C1 257301656 RZHBLTZODONXEO-LBPRGKRZSA-N 384.436 2.820 0 40 GFAB CC(C)c1ccc2ncnc(N3CCO[C@@H](CN(C)c4cccnn4)C3)c2c1 663732510 UHMJPQCUTJHFSI-KRWDZBQOSA-N 378.480 2.885 0 40 GFAB CO[C@@H](C)c1nsc(NCC2(O)CCN(C(=O)[C@]3(C)CC=CCC3)CC2)n1 1615611992 STYJZVMGGUVWKD-KBXCAEBGSA-N 394.541 2.757 0 40 GFAB CCOc1ccc(N2CCN(C(=O)C3(Cc4ccccc4)CCC3)CC2)nn1 620827556 MLMQVVZJVGFNTF-UHFFFAOYSA-N 380.492 2.937 0 40 GFAB Cc1ccc(C(C)(C)CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)nc1 625415509 FFEHYYFBADSQBL-UHFFFAOYSA-N 387.505 2.921 0 40 GFAB COCC(=O)OCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1 725434703 JMJSKLIIRRXQJS-UHFFFAOYSA-N 398.367 2.564 0 40 GFAB O=C1C[C@]2(COCCN(c3ncnc4ccsc34)C2)CN1Cc1ccccc1 585104418 MNEKFCNEEBCPMZ-OAQYLSRUSA-N 394.500 2.947 0 40 GFAB O=c1c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1C1CC1 826595271 BRPQJYSJYPLVPI-UHFFFAOYSA-N 378.363 2.736 0 40 GFAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 8105162 WTIMJPMMEGGTDO-SDQBBNPISA-N 389.260 2.792 0 40 GFAB CCCNC(=S)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 5680936 UXDFMOBKDGAQEI-UHFFFAOYSA-N 379.511 2.591 0 40 GFAB CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)O)[C@]2(Cl)C(=O)O 5712199 CBODUWBNIBXAQZ-ACZWYYKOSA-N 386.787 2.986 0 40 GFAB Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)[C@H](CN(C)C)CO2 12406652 JLTNICRPKMLUAX-QGZVFWFLSA-N 378.469 2.648 0 40 GFAB Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCCn2ccnc2)cc1 13122732 SVGBTGFFBPAPJY-XMHGGMMESA-N 378.432 2.762 0 40 GFAB O=C(CN1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 19693228 XXCHGBNCTIMVBK-HNNXBMFYSA-N 399.451 2.751 0 40 GFAB C[C@H]1CN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)C[C@@H](C)O1 12222043 CSHVAZVNSYHXBY-GASCZTMLSA-N 387.505 2.896 0 40 GFAB COc1ccc2[nH]cc(C(=O)N[C@H]3CC(=O)N(CCc4ccccc4)C3)c2c1 19563165 RAGOCXFHKLNNRV-INIZCTEOSA-N 377.444 2.750 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4nnc(C5CC5)s4)CC3)nc(C)n2)n1 1888908384 AGPYIBSFUPRFIY-UHFFFAOYSA-N 396.524 2.643 0 40 GFAB Cc1csc2nc(COC(=O)c3ccc(N4CCCC4=O)cc3)cc(=O)n12 25183972 XXNREIAKWHJTIH-UHFFFAOYSA-N 383.429 2.548 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995373 REPMROKSFBLZQY-JTQLQIEISA-N 390.228 2.902 0 40 GFAB Cc1ccc(OCC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nn1 1775996288 QOXFJFDYBMBIOF-UHFFFAOYSA-N 393.373 2.537 0 40 GFAB Cc1ncnc(OCC2CCN(C(=O)C[C@@H]3COc4ccccc4O3)CC2)c1C 1776001381 PYRNUIXMKGVBJQ-GOSISDBHSA-N 397.475 2.941 0 40 GFAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909328 UNBOYFFHROVJMO-NRFANRHFSA-N 389.471 2.921 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(C)n1-n1cccc1 4518486 SOHCKYWVMXRWFR-UHFFFAOYSA-N 385.449 2.607 0 40 GFAB COCCOc1ccc(C(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)cc1 225686030 CXPNXRCEMFERLO-NRFANRHFSA-N 380.488 2.985 0 40 GFAB CCOc1ccc(CC(=O)NCc2nc(C3CCOCC3)no2)cc1OCC 575618451 VVGOWBZIAVKQNX-UHFFFAOYSA-N 389.452 2.620 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](CCO)c2ccsc2)cc1 575621517 PATVJAJEACPLCI-CYBMUJFWSA-N 398.506 2.761 0 40 GFAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCc3ccccn3)cs2)cc1 35596765 FHSNJZUFDNBQRH-UHFFFAOYSA-N 388.474 2.615 0 40 GFAB NS(=O)(=O)c1ccsc1C(=O)OCc1ccc(F)cc1Br 10423314 YXWYKQKMAHOAES-UHFFFAOYSA-N 394.243 2.654 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1nnc2ccccn12 40108744 DRIBUDPBXFRQFX-UHFFFAOYSA-N 396.407 2.758 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@H]1c1nnc2ccccn12 31505295 HLUMHWCQPYLIGA-KRWDZBQOSA-N 377.448 2.521 0 40 GFAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(oc4nc(C)c(C)cc43)c2=O)cc1 32096787 GJDOMDPXUWTSFU-UHFFFAOYSA-N 390.399 2.996 0 40 GFAB COc1cccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c1 11610428 ZWWQXQUBHMITDZ-UHFFFAOYSA-N 379.342 2.950 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 20627592 KQFHFNWSXCXLBG-GFCCVEGCSA-N 390.798 2.877 0 40 GFAB COc1ccc(NCc2nnc(SCC(N)=O)n2-c2ccc(C)cc2)cc1 925372 HNZPGDQOZVZBNU-UHFFFAOYSA-N 383.477 2.774 0 40 GFAB O=S(=O)(c1ccc(Oc2ncnc3sccc23)cc1)N1CCOCC1 8156412 CVZZHRWJEHRXJV-UHFFFAOYSA-N 377.447 2.505 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1N 4916348 QFYACYQMKYBXOI-UHFFFAOYSA-N 397.504 2.885 0 40 GFAB Cn1c(C(=O)O[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc2sccc21 4923950 HBMYNVJUXAQLCB-KDOFPFPSSA-N 399.472 2.828 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC 6200783 VDNZOEPLESYCKQ-NSHDSACASA-N 398.868 2.663 0 40 GFAB CCCS(=O)(=O)Nc1cc2c(cc1NCc1ccccc1)n(C)c(=O)n2C 8594591 HRZLIXOTANJXQN-UHFFFAOYSA-N 388.493 2.641 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2ccco2)C3)cc1 100127839 ZTKSGEIIQNZLLL-QZTJIDSGSA-N 383.448 2.691 0 40 GFAB CN(Cc1c(F)cccc1Cl)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 23384716 FOHFUSMSWMIKBG-UHFFFAOYSA-N 389.814 2.859 0 40 GFAB O=C(Nc1ccc(-n2cccn2)c(F)c1)N1CCN(Cc2ccncc2)CC1 47767560 ZQHLAWYJSWSUOB-UHFFFAOYSA-N 380.427 2.756 0 40 GFAB C[C@@H]1CN(C(C)(C)CNC(=O)CNC(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 25407849 YFLYCRUYPJHDOS-IAGOWNOFSA-N 397.519 2.574 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccccc2)CC1 25830757 JXWFOASAHSRAGR-QGZVFWFLSA-N 395.503 2.594 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)cc1 12520867 HUNHCLXTLYQXPQ-UHFFFAOYSA-N 388.474 2.970 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57525776 LGDITZJELTVNCN-UHFFFAOYSA-N 377.444 2.701 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)c3cccnc3OCC(F)(F)F)cc2NC1=O 23129898 JPPPMJQQOJJNHK-SECBINFHSA-N 381.310 2.994 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(OC(F)F)cc1 3284016 SVXBKLMZOWKBTD-UHFFFAOYSA-N 381.379 2.871 0 40 GFAB COc1cc(C(=O)COC(=O)c2cccc(OC)c2OC)cc(OC)c1OC 3241309 PQCZWLLSFZGGCF-UHFFFAOYSA-N 390.388 2.769 0 40 GFAB CCNC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1 67896488 LPFKRESSBCQQIJ-UYAOXDASSA-N 389.496 2.669 0 40 GFAB biogenic,in-vitro CCc1ccc([C@H](CNC(=O)CCN2C(=O)COc3ccccc32)N(C)C)cc1 27596984 JFMHUDNHXWRNBI-FQEVSTJZSA-N 395.503 2.784 0 40 GFAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 58192539 TXBIEQHLSKIUSQ-UHFFFAOYSA-N 378.498 2.616 0 40 GFAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nnc(CC(C)C)s3)n2)c1 44903856 VAJRXXKIPILBPB-UHFFFAOYSA-N 399.476 2.608 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)N(C)C2CCC(c3ccccc3)CC2)o1 58414921 SJBRDUJKFLTCJM-UHFFFAOYSA-N 376.478 2.986 0 40 GFAB O=C1COc2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)ccc2N1 11146295 WBXXFRWAHJPKNM-UHFFFAOYSA-N 391.383 2.793 0 40 GFAB Cc1c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)[nH]c2c1C(=O)CC(C)(C)C2 12853866 WYGHSSILEPLLTI-INIZCTEOSA-N 375.513 2.565 0 40 GFAB NC(=O)C1CCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 12948881 XPCUUUKENKDINR-FQEVSTJZSA-N 376.460 2.718 0 40 GFAB COc1ccc(-c2nc3s/c(=C/c4ccc(C)cc4)c(=O)n3n2)cc1OC 3637169 CMJRDLOUZYHSCJ-LICLKQGHSA-N 379.441 2.691 0 40 GFAB CN(C(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1)c1ccccc1 71285210 QJEDETALJCMMIH-UHFFFAOYSA-N 376.372 2.704 0 40 GFAB CONC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 8752635 JRIRJNMLYACMNP-UHFFFAOYSA-N 376.478 2.754 0 40 GFAB CNC(=O)c1nn(CN(C)Cc2ccc3ccccc3c2)c(=O)c2ccccc12 14211853 XPMRKBNCPNMCDS-UHFFFAOYSA-N 386.455 2.999 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2ccccc2Nc2ccccc2)NC(=O)NC1 18321950 JSUHEOXBMVVHGD-UHFFFAOYSA-N 395.415 2.717 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1C 14793274 IHJIDWHBKOROAY-UHFFFAOYSA-N 376.434 2.618 0 40 GFAB CCOC(=O)c1c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)sc(C)c1C 4940044 PDPNHLCPGNPWFD-UHFFFAOYSA-N 399.472 2.970 0 40 GFAB O=C1COc2cc(S(=O)(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)c(Cl)cc2N1 67434317 ICIQRUZCMFFCJT-DGCLKSJQSA-N 396.827 2.644 0 40 GFAB COc1ccc(C(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1OC 7157577 FNFHHGYONFWLED-UHFFFAOYSA-N 393.823 2.709 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)OCC(N)=O 7737383 BAFWOLUSLQOPHV-UHFFFAOYSA-N 376.627 2.842 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1cc2ccccc2o1 7976121 WFGPYXVNMBTGBF-NRFANRHFSA-N 376.368 2.845 0 40 GFAB C[C@@H](CONS(=O)(=O)c1ccc2ccccc2c1)NC(=O)OC(C)(C)C 96008982 FDKBLBMJUOFAQH-ZDUSSCGKSA-N 380.466 2.963 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)cc1 96002790 XQRRDZDMGKGQLP-CQSZACIVSA-N 389.399 2.810 0 40 GFAB CC(C)SC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 9306722 MBGIYPUASFZKRY-OLZOCXBDSA-N 389.340 2.932 0 40 GFAB COc1ccccc1OCc1nc2c3c(C)c(C)n(CCN(C)C)c3ncn2n1 9418870 GICHVFGEKLVCDZ-UHFFFAOYSA-N 394.479 2.845 0 40 GFAB Cc1cc(SC2CCCCC2)ccc1NC(=O)Cn1ccc(=O)n(C)c1=O 84093165 LKLWTXFZFLJHBH-UHFFFAOYSA-N 387.505 2.919 0 40 GFAB CCc1c(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cnn1-c1ccc(C)cc1 72298022 UFHAWECCRZHPJI-MRXNPFEDSA-N 397.548 2.992 0 40 GFAB CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cc3ccccc3n2C)CC1 72281866 HAGAVEMTOPEORY-UHFFFAOYSA-N 398.551 2.879 0 40 GFAB CC(C)[C@H](O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 84410407 INKYLOFYLWEYLF-QGZVFWFLSA-N 396.896 2.888 0 40 GFAB CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1O 95993316 FGQOMLJJLCROOQ-ZJUUUORDSA-N 382.345 2.928 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 23078119 GNEBAWUCHFIQDG-RHSMWYFYSA-N 378.469 2.757 0 40 GFAB COC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 408602013 BPOAARQIENHAGW-KRWDZBQOSA-N 390.505 2.650 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccnc1 408704094 XKRPVTMGEMKPSG-UHFFFAOYSA-N 389.477 2.763 0 40 GFAB C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32820787 MIWIHXOKLZAMSO-LLVKDONJSA-N 378.331 2.530 0 40 GFAB COc1ccc(C(=O)Cn2nc(N)n(Nc3ccccc3OC)c2=S)cc1 36625712 QTJUXAXGJAJNIX-UHFFFAOYSA-N 385.449 2.772 0 40 GFAB CN1CCN(Cc2nccs2)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306140956 VHNKUFSQIOVVNP-QGZVFWFLSA-N 382.537 2.880 0 40 GFAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(N2CCCC2=O)cc1 524732864 VPCABSSWRKGGEE-UHFFFAOYSA-N 382.468 2.779 0 40 GFAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(C)c2)CC1 408629133 ZVIKBNURJMZUJS-UHFFFAOYSA-N 396.516 2.790 0 40 GFAB CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 39996817 QFLXLCPRYOXOAA-ZDUSSCGKSA-N 389.901 2.787 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894109 QYHFEPVLBGYTQM-OALUTQOASA-N 385.552 2.989 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222994313 JDVGGDRYAODEKF-MOPGFXCFSA-N 379.489 2.886 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccc(F)cc1)S(C)(=O)=O 220346497 RYBKRARBWAIMOS-CQSZACIVSA-N 394.468 2.614 0 40 GFAB O=C(c1cccc2cccnc12)N1CCC[C@@]2(C[C@H](CN3CCOCC3)CO2)C1 96075570 FSFLDAVGWKYQHZ-WZONZLPQSA-N 395.503 2.578 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2[C@H](CN2Cc2ccccc2Cl)C1 96080566 LTIICTDNKUPHIX-IEBWSBKVSA-N 376.909 2.986 0 40 GFAB Cc1nc(CNC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)no1 579800365 OFSYCSBDBUQIEY-UHFFFAOYSA-N 375.376 2.943 0 40 GFAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cccc(OC(F)F)c2)o1 95480556 DQEABBXAUTXWLT-CYBMUJFWSA-N 384.331 2.788 0 40 GFAB O=C(CCCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96117845 BNLNZJGDPMIYOB-KRWDZBQOSA-N 395.438 2.801 0 40 GFAB Cc1ccccc1NC(=O)N1CC[C@]2(COCc3c(C)nc(N(C)C)nc32)C1 96244428 NGFTVHQJXBEKHW-OAQYLSRUSA-N 381.480 2.865 0 40 GFAB COCCOc1cc(CN2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)ccc1OC 247886711 LHTSPDYUIIYRMI-RXVVDRJESA-N 382.460 2.955 0 40 GFAB COCc1cccc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)c1 257223477 DXNGDKLGSZHEDD-VFNWGFHPSA-N 399.447 2.643 0 40 GFAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(OC)c(C)c1 260841244 KXLHNNBTXMVLBS-IRXDYDNUSA-N 382.526 2.633 0 40 GFAB CCOCCOc1ccc(CN(C)C[C@@]2(O)CCN(c3ccccn3)C2)cc1 585270182 HUKZRHOWUQCKSQ-QFIPXVFZSA-N 385.508 2.570 0 40 GFAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)cc4)c3n2)cc1 5151531 HOHGCZRLDMFYER-UHFFFAOYSA-N 379.807 2.837 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CCCn2cnc3ccccc3c2=O)c1 5323806 APXNVGFSUBRHJO-UHFFFAOYSA-N 379.416 2.992 0 40 GFAB CSc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 11851676 KUGGZXDTDOYROY-LVNYTYFRSA-N 395.477 2.744 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1OC 13581329 KDBQDAFHORFKHP-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB COc1ccc(CC(=O)NCCc2nc(C)ncc2-c2cc(C)no2)cc1OC 19123352 DFGOHBOTIGPOIM-UHFFFAOYSA-N 396.447 2.667 0 40 GFAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1CN1CCOCC1 19201903 OKBPTBKLGNOHKQ-UKTHLTGXSA-N 383.267 2.775 0 40 GFAB CCOc1ncccc1C(=O)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 19531421 SOLISXUIGVGKKI-CYBMUJFWSA-N 384.465 2.500 0 40 GFAB COc1ccccc1C1=NO[C@](C)(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 19655304 UWMGJBQOACFEAU-FQEVSTJZSA-N 381.388 2.548 0 40 GFAB Fc1ccc(OC[C@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)cc1 19657881 CGVCPTCQODELHR-KRWDZBQOSA-N 386.471 2.743 0 40 GFAB CNc1cc(CN(C)CC2=Cc3cc(OC)ccc3OC2)nc([C@H]2CCCN2)n1 19759855 WZVCNKPZUIIQBS-LJQANCHMSA-N 395.507 2.859 0 40 GFAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)NCc1ccccc1 19819094 SCKATKSUIWNDAI-SFHVURJKSA-N 378.428 2.803 0 40 GFAB CC(C)(C)c1ncc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cn1 12219956 XPKKDOZPXGMNNW-UHFFFAOYSA-N 393.491 2.791 0 40 GFAB COCC1(C2CCC2)CN(C(=O)N[C@@H](C)c2ncc(Br)cn2)C1 664954990 JPLGFWJNEUDVAV-NSHDSACASA-N 383.290 2.758 0 40 GFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nncs1 9515159 JBPCJFJTLJMCDJ-UHFFFAOYSA-N 390.412 2.746 0 40 GFAB COc1cccc(NC(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)c1OC 1888976948 QALRDOZEPJMAHV-KRWDZBQOSA-N 382.420 2.745 0 40 GFAB Cc1cc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)ccn1 2037985155 ZGCDUGHGGNZJRE-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB COc1ccccc1N1C(=O)N(c2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 4393620 YWIMFRZHUQLHPW-ZWKOTPCHSA-N 386.473 2.924 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3ccc(F)cc3)n2)cc1 11694477 PMKWUMOIJMRXNO-UHFFFAOYSA-N 382.395 2.880 0 40 GFAB C[C@H](NC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)c1ccccc1 16851213 UFAWBLFUMWEVTJ-ZDUSSCGKSA-N 396.472 2.894 0 40 GFAB O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)C1(c2ccc(F)cc2)CC1 21695837 OJRDPJJBVYYSOM-UHFFFAOYSA-N 382.435 2.930 0 40 GFAB CCc1cnc(OC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nc1 1775973565 NYYZBYNOVBHSHS-UHFFFAOYSA-N 377.448 2.908 0 40 GFAB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2N2CCCN12 100165991 UYAIITJPYFAEPS-FHWLQOOXSA-N 397.862 2.884 0 40 GFAB O=S(=O)(NCc1nc(-c2cc(C3CC3)on2)no1)c1cccc2cccnc12 575616164 IOHXUABGNLWOEW-UHFFFAOYSA-N 397.416 2.629 0 40 GFAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(F)cc1 6237769 DVMNTRQQCSWHIH-MRXNPFEDSA-N 396.447 2.590 0 40 GFAB O=c1c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)nc2n1CCCS2 13624458 TWSNAMBUPJCONY-HNNXBMFYSA-N 388.880 2.815 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(C)cc3C)ccc21 15335895 MITDWVXOKSYDST-UHFFFAOYSA-N 388.489 2.570 0 40 GFAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3c(C)noc3C)C2)n(-c2ccccc2)n1 2332241656 SPWRHSZRWOBPFS-CGTJXYLNSA-N 395.463 2.608 0 40 GFAB Cc1cccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)n2)c1 101277471 ZEPNXIUTZSOGPU-DLBZAZTESA-N 388.387 2.538 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c(C)c12 40086816 ULFRPWVLUOUICJ-ZDUSSCGKSA-N 392.463 2.565 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN(Cc2ccccc2)CC1 40160873 DKPNBLHKEGXBMD-HXUWFJFHSA-N 383.492 2.815 0 40 GFAB Cc1ccc(C(=O)NC2CCN(C(=O)c3ccnc(-n4ccnc4)c3)CC2)s1 50803464 WJTZIAKNAUGKFG-UHFFFAOYSA-N 395.488 2.672 0 40 GFAB Cc1nc(C2(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)CCCCC2)no1 29058774 RMAQFTWDEXPHHK-UHFFFAOYSA-N 399.419 2.964 0 40 GFAB Nn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 11519474 QMKLJLXRTJDQSY-UHFFFAOYSA-N 394.378 2.860 0 40 GFAB O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1 21236663 VCVSLRJQDFXTIZ-UHFFFAOYSA-N 382.489 2.663 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 4514449 PPJIXFYMPILTPK-OAQYLSRUSA-N 397.406 2.824 0 40 GFAB CC(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 32860296 XKJLGVBRWCTTJM-KBPBESRZSA-N 386.423 2.885 0 40 GFAB C[C@@H](NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 8489979 AWVSEHWUXPRPKR-DNVCBOLYSA-N 396.528 2.825 0 40 GFAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccc(Cl)cc2)cc1 8559848 BNBNPDQIZSHHMJ-KRWDZBQOSA-N 385.851 2.618 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(N)c3)n2C)c1 1019426 KGIHANWKXQHCRW-UHFFFAOYSA-N 399.476 2.812 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1nnc(Cc2ccccc2)s1 57530862 VVGSBKWONCMZIL-UHFFFAOYSA-N 388.474 2.753 0 40 GFAB COc1ccc(OCCN(C)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cc1 24443421 KYJFKRCKPVDENJ-HOTGVXAUSA-N 389.496 2.710 0 40 GFAB Cc1c(C(=O)NC[C@@H]2CCCO2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 22461583 XMTMWCBTRBOWLV-AWEZNQCLSA-N 383.473 2.793 0 40 GFAB CN(C)c1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 12594678 JSDYWWIYYBVRTM-UHFFFAOYSA-N 397.504 2.822 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 57173401 ZBFMLIVMUMZNGP-GUYCJALGSA-N 376.453 2.731 0 40 GFAB C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 44204111 VFDUGWVSUILAFN-XXWNAHEMSA-N 377.506 2.942 0 40 GFAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(OC)c2OC)N1 36025438 NTNSELIRIYLDRI-WMZOPIPTSA-N 396.443 2.970 0 40 GFAB biogenic Cc1nc(-c2cccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)c2)cs1 58282675 FTUPQGYZZZCLDK-HNNXBMFYSA-N 394.522 2.664 0 40 GFAB O=C(COC(=O)c1cccnc1Cl)Nc1ncc(Br)s1 3222533 RBHXTMAQODVZEU-UHFFFAOYSA-N 376.619 2.750 0 40 GFAB Cc1cccc(OCCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 36408832 FPWDPWWOHVRUJL-UHFFFAOYSA-N 399.466 2.686 0 40 GFAB Cc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1NC(=O)c1ccco1 11086697 AIGUAEYUMCSJBC-UHFFFAOYSA-N 391.431 2.593 0 40 GFAB CCC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 12792119 YGEPMUHEPAXLCA-UHFFFAOYSA-N 397.541 2.587 0 40 GFAB C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)c(F)c1 12891107 RHDGNKFPXSSVMT-XUSGNXJCSA-N 399.397 2.751 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 8477386 CVYVJWSAFJXQBI-NVXWUHKLSA-N 398.802 2.809 0 40 GFAB COc1ccc(CNC(=O)Cn2c(S)nnc2-c2cccc(C)c2)cc1OC 12876036 DIJXMVZAIMMTNH-UHFFFAOYSA-N 398.488 2.876 0 40 GFAB CN(C)C(=O)[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 12907627 YSOLLABUMFQLLB-NQIIRXRSSA-N 396.468 2.988 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@H](C(F)(F)F)C2)c(C)c1 12971993 FYJJPWOTJQNZCY-HNNXBMFYSA-N 385.430 2.941 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ncccn4)C3)c2c1 13653947 DNNJDSXTBBYFGG-MRXNPFEDSA-N 379.464 2.542 0 40 GFAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCC(C(N)=O)CC3)c2C)cc1 29632287 LIIHBOVFHBUTCX-CMDGGOBGSA-N 380.492 2.594 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)ccc1F 6146610 SFXHJKAHYADPKP-MRXNPFEDSA-N 392.452 2.844 0 40 GFAB Cc1c(C)n(Cc2cccnc2)c2ncnc(NCCCN3CCOCC3)c12 20573720 GBCAUFYPLKKCCG-UHFFFAOYSA-N 380.496 2.626 0 40 GFAB CC(C)Cn1c(N)c(C(=O)CSc2ccc3ccccc3c2)c(=O)n(C)c1=O 4886517 PNBRIAXVRXUWBK-UHFFFAOYSA-N 397.500 2.913 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1F 70762680 SPXZGSDNPNCEMD-CQSZACIVSA-N 381.322 2.693 0 40 GFAB CCOC(=O)c1ccc(N[C@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc1 6831696 DYEHWBHGSDJITH-SFHVURJKSA-N 380.400 2.810 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)N1CCO[C@H](c2cccc(F)c2)C1 67042528 JRZHYIGCDCKURG-SFHVURJKSA-N 381.411 2.690 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 16043119 PAAMQQBUSSMOMF-BBATYDOGSA-N 375.421 2.658 0 40 GFAB biogenic CSc1nc2nc(C)c(CC(=O)NCCCOc3cccc(C)c3)c(C)n2n1 16278703 FUHAVONIEWIHFB-UHFFFAOYSA-N 399.520 2.899 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccccc1C(C)=O 7905333 OGHPNWLRWOMWBE-UHFFFAOYSA-N 383.448 2.797 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ncnc2ccsc12 9390093 SJIDYJMARFKTEE-AWEZNQCLSA-N 387.486 2.684 0 40 GFAB COC(=O)c1ccc2c(=O)n(N)c(SCc3cccc(Cl)c3)nc2c1 71768713 ITRPRMHZSRGEPV-UHFFFAOYSA-N 375.837 2.843 0 40 GFAB Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1Br 84008235 ZAGCLOIJYNRPCE-SBMIAAHKSA-N 388.258 2.840 0 40 GFAB COC(=O)C[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCO1 79020462 WKLRATKCRPGIOR-GHMZBOCLSA-N 375.252 2.584 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 1556413251 DJJPMWJEWMZUEB-OAHLLOKOSA-N 393.443 2.642 0 40 GFAB O=C(c1ccco1)N1CCO[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306125231 CJZCJVJSXLTPFK-GOSISDBHSA-N 375.388 2.598 0 40 GFAB Cc1cc2ccccc2n1CC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 524225304 ARJQKQMGLAHVEB-GOSISDBHSA-N 391.519 2.672 0 40 GFAB CCOC[C@H]1CN(C(=O)NCc2nc(-c3ccccc3F)cs2)CCO1 527884554 GLBSOUZRXYRSGJ-CYBMUJFWSA-N 379.457 2.896 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccco2)Oc2ccccc21 72339084 GXWPVYLBYOLOKN-CABRAYNUSA-N 380.444 2.893 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1cccs1 36651845 HYRYWSGIOVIRGD-UHFFFAOYSA-N 382.474 2.656 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 33570568 JAZQLSSYZHPFCO-HNNXBMFYSA-N 384.432 2.574 0 40 GFAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C4CCN(C)CC4)C3)nc2c1 49169127 MLHQPXPDUXVXHR-AWEZNQCLSA-N 377.510 2.505 0 40 GFAB biogenic,in-vitro CCN(c1ccc(C(=O)NCCOc2cccc(C)c2C)cc1)S(C)(=O)=O 223935088 UZBFICXEPQLXCN-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220600329 ZWAOQVVMHUGFES-INIZCTEOSA-N 376.453 2.960 0 40 GFAB Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1ccc(Br)cc1 225877714 XENKCPIMQBEUGX-UHFFFAOYSA-N 390.284 2.838 0 40 GFAB CCc1ccccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225955401 BDAXLUCXNNABEZ-GOSISDBHSA-N 376.478 2.877 0 40 GFAB O=C([C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CCn2c(nnc2C2CCCC2)C1 527487101 NQAQDQIYRDWGSX-QHSBEEBCSA-N 384.402 2.634 0 40 GFAB COC(=O)c1cn(C(=O)c2cccc(NS(C)(=O)=O)c2C)c2ccccc12 222601652 YYHNCVIAJHOFJC-UHFFFAOYSA-N 386.429 2.796 0 40 GFAB Cc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 224326765 PNYJQIVJJJVBTF-UHFFFAOYSA-N 380.897 2.726 0 40 GFAB CCNC(=O)c1ccc(OC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224754539 YLXDCQOPENUQAJ-UHFFFAOYSA-N 380.441 2.550 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1 225079108 VXBZJOFEVUEJMT-UHFFFAOYSA-N 396.534 2.684 0 40 GFAB CN1CCOc2ccc(NC(=O)C[C@H](CC(=O)O)c3cccs3)cc2C1=O 90607321 VNEMOBBXGXVSDW-GFCCVEGCSA-N 388.445 2.800 0 40 GFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC(=O)N2C)cc1 96182406 WOGHZYBVCCIFOZ-FYYLOGMGSA-N 391.515 2.859 0 40 GFAB O=C(c1cccnc1)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 96038279 XDGMRQPQHQIDRV-UHFFFAOYSA-N 376.464 2.744 0 40 GFAB O=C(c1cnccn1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257341190 ZJGANUKBJJQYML-MAUKXSAKSA-N 381.432 2.717 0 40 GFAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1 41577130 UXRBLURDLHFZSS-QGZVFWFLSA-N 383.492 2.849 0 40 GFAB COC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404349 COHAGXFEWZYSBM-QGZVFWFLSA-N 381.432 2.523 0 40 GFAB biogenic Cc1c([C@@H]2[C@@H](CNC(=O)c3ccc(F)c4occc34)CC(=O)N2C)cnn1C 1615590233 KGGZBMFEUHNZSX-XIKOKIGWSA-N 384.411 2.563 0 40 GFAB COc1c(F)cc(S(=O)(=O)N[C@H](Cn2ccnc2)c2ccccc2)cc1F 1663854352 LWGGLPWAVCUYBG-QGZVFWFLSA-N 393.415 2.890 0 40 GFAB CCCc1nc(-c2noc([C@@H]3CCC(=O)N(CC)[C@H]3c3ccnn3C)n2)co1 664885697 UCNWLASODYWHAM-SJKOYZFVSA-N 384.440 2.878 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340572 ZJVJBPCXNHOSAX-UHFFFAOYSA-N 379.335 2.796 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575405045 QWGVIFULOFFYFS-QGZVFWFLSA-N 385.464 2.921 0 40 GFAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)c1 585281357 INHHZERXNKEJCD-ICSRJNTNSA-N 383.916 2.520 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@@H](c2ccccc2)O1 67591071 VXRCOJZJVALNJI-APWZRJJASA-N 377.448 2.939 0 40 GFAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Oc2cccc(F)c2)cn1 562647171 ZUZXJUOOMQGEPM-HNNXBMFYSA-N 397.328 2.906 0 40 GFAB COc1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)cc1 1549162901 WVXOJUNAGDWRAC-OAQYLSRUSA-N 393.487 2.586 0 40 GFAB COc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(C)n1 12223634 DJJDFDSJQZRQGE-UHFFFAOYSA-N 380.370 2.775 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)NCCc2cccc(Cl)c2)cc1 12771173 CAMSXJBIEZDCGT-UHFFFAOYSA-N 380.897 2.540 0 40 GFAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19501893 CFTKGYMFAFACMO-UXHICEINSA-N 384.528 2.511 0 40 GFAB COc1ccccc1C(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 19583265 QBWKIRRXOWIIEI-INIZCTEOSA-N 393.491 2.631 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 19698312 JGGMIRNUOUHQGK-NRFANRHFSA-N 396.539 2.966 0 40 GFAB Nc1ncccc1C(=O)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1 19713146 SWJVYSMWSLETLQ-QZTJIDSGSA-N 382.439 2.599 0 40 GFAB Cc1nnsc1C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1c(C)cc3ccncc31)C2 100145960 HETHSHPLBDECBH-HOTGVXAUSA-N 397.504 2.703 0 40 GFAB Cc1nnc2c(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)nccn12 225799549 AUFUVDSOUXSQOR-UHFFFAOYSA-N 396.520 2.655 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)c2sc(C)nc2C)C1 12158101 BKVARSRXGSVFDA-KGLIPLIRSA-N 378.523 2.946 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)c3ccnn3C)c2-c2cccs2)on1 12258667 LNDWDXWXSMDFMQ-UHFFFAOYSA-N 382.449 2.739 0 40 GFAB CCn1nnc2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)ccc21 5805376 UDHYWLVSAJWLBB-UHFFFAOYSA-N 388.811 2.909 0 40 GFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc2c(c1)OCCCO2 9336581 PAIRWEXXOLDIAK-UHFFFAOYSA-N 382.416 2.992 0 40 GFAB COc1cnc(OC2CCN(C(=O)c3cc(Br)cs3)CC2)nc1 1889148874 FMAKMUPDBATBLI-UHFFFAOYSA-N 398.282 2.993 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)nc1C 24842099 VQHIOZAQCMSILH-LBPRGKRZSA-N 391.449 2.712 0 40 GFAB CCOC(=O)C[C@@H](c1ccc(C(F)(F)F)cc1)c1oc(CO)cc(=O)c1O 96335754 APMGRJGDMSADRW-ZDUSSCGKSA-N 386.322 2.942 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(OC)cc1 4934902 HTWVNHOIFJCGAE-HXUWFJFHSA-N 393.443 2.539 0 40 GFAB CCc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5201693 XBKJXSISAWIFBN-MRXNPFEDSA-N 381.432 2.947 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1F 9173427 BVFFJLMVUOKDNQ-UHFFFAOYSA-N 394.424 2.992 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1 9616732 YSYCKFPBJOSALP-UHFFFAOYSA-N 375.446 2.838 0 40 GFAB Fc1ccc2ncnc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)c2c1 575617287 SCNZEKXQKFHNII-UHFFFAOYSA-N 378.333 2.904 0 40 GFAB O=C(Cc1ccc(Br)cc1)NCc1cncc(N2CCCC2=O)c1 575621259 ZNUQKUHCONWFLK-UHFFFAOYSA-N 388.265 2.830 0 40 GFAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCN1CCOCC1)CO3 20567690 RCMWMKGNMMQQAH-UHFFFAOYSA-N 392.455 2.944 0 40 GFAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1C 32081020 NBCJXTFBWPARED-AWEZNQCLSA-N 388.445 2.542 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)N1CCCN(Cc2ccccc2)CC1 29093768 SRIOMNLBBGPNOY-UHFFFAOYSA-N 392.455 2.906 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1F 1358040 LFUOOJUEJQCCBT-UHFFFAOYSA-N 394.410 2.775 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)=O)C2 1639160 KRWAWNXEYPCCLG-JOKRRQDLSA-N 383.488 2.729 0 40 GFAB CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2094589 URZDPNCTZDVGKL-PXAZEXFGSA-N 387.432 2.809 0 40 GFAB biogenic COc1cc(C(=O)N2CCN=C2SCc2cccnc2)cc(OC)c1OC 4061155 VQSFWZSPOCVJSN-UHFFFAOYSA-N 387.461 2.853 0 40 GFAB Cc1ncc(C[n+]2csc(CCOC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)c2C)c(N)n1 4748210 CYBLJVGBDWMZJC-UXLLHSPISA-N 387.529 2.595 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CC[C@@H](C)C3)NC(=O)N[C@H]1C 4885821 GDLJWBMGRDZQTR-MNOVXSKESA-N 392.477 2.548 0 40 GFAB CCOc1cccc2c1O[C@@]1(C)NC(=O)N[C@H]2[C@H]1C(=O)Nc1ccc(OC)cc1 102431471 WNPYBFBZEQHPMQ-CSODHUTKSA-N 397.431 2.811 0 40 GFAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1CCc1ccccc1 32910973 KCLGSEYYQZZROV-UHFFFAOYSA-N 390.439 2.924 0 40 GFAB CC1CCN(Cc2csc(NC(=O)Cn3c(=O)cnc4ccccc43)n2)CC1 8346200 IIMPKHQDVNUMQK-UHFFFAOYSA-N 397.504 2.724 0 40 GFAB O=C(CSc1nccn1-c1ccccc1)N1CCN(c2ccccn2)CC1 32909726 JADWCJAWJOTQAX-UHFFFAOYSA-N 379.489 2.708 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1 21840739 QFQNHBRQJIKBOU-QGZVFWFLSA-N 397.866 2.761 0 40 GFAB COc1ccc2c(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc(=O)oc2c1C 101341140 QBTUAXVTKIGPIW-OKILXGFUSA-N 387.432 2.660 0 40 GFAB COc1ccc([C@H](NC(=O)CN2CCN(Cc3ccccn3)CC2)C(C)C)cc1 22065203 YIQIYIUPILZCFZ-HSZRJFAPSA-N 396.535 2.721 0 40 GFAB COc1ccc2nc(NC(=O)CSC(=S)N3CCOCC3)sc2c1 667917 RZQNSVXCJKXOMG-UHFFFAOYSA-N 383.520 2.594 0 40 GFAB COc1ccccc1-n1ccn(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1=O 22725045 SSUCUYNJOOONIN-UHFFFAOYSA-N 393.443 2.770 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C)c1 22805281 YPUWWCYMTBLQDV-UHFFFAOYSA-N 379.504 2.995 0 40 GFAB O=S(=O)(NC[C@H]1CCCO1)c1cc(Br)ccc1Br 863585 QBELXIFAAZIEMY-SECBINFHSA-N 399.104 2.669 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc1 61720782 QHFATUFOPNDZSO-INIZCTEOSA-N 382.464 2.554 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(CC[C@H](C(=O)NCC3CC3)O2)[C@@H](C)C1 107271679 GTPWOZMAVANYHE-YYFZDKIDSA-N 376.522 2.983 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 113958086 DYKPCXVKKBHMGJ-OAHLLOKOSA-N 388.489 2.971 0 40 GFAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccs1 23731665 RCTFJNDISNEELQ-UHFFFAOYSA-N 386.473 2.784 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12532146 QKQKRMUEBRIUTB-AWEZNQCLSA-N 399.470 2.870 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 22527089 JPAVHERTCGLQBH-LBPRGKRZSA-N 387.388 2.674 0 40 GFAB CCOc1ccc(C(=O)O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 25436636 LJQMTFWGNXMGHH-GOSISDBHSA-N 396.487 2.975 0 40 GFAB COc1ccc(NC(=O)NCCC(=O)Nc2ccccc2N2CCCC2=O)cc1 25457474 IHMJXSDVNBLQNH-UHFFFAOYSA-N 396.447 2.972 0 40 GFAB Cc1ccc(-c2cc(NC(=O)CN3CCN(c4nccs4)CC3)on2)cc1 35269412 NMKJKXQPNFLVQH-UHFFFAOYSA-N 383.477 2.867 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Oc2cnccn2)cc1 44553229 HPPBQGMDISPAHW-UHFFFAOYSA-N 375.450 2.955 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc(-c2ccccc2)c[nH]1 58295436 ITEKSTLWHPGBEE-DOTOQJQBSA-N 376.464 2.961 0 40 GFAB COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36370061 LQYDRECXQAJURF-UHFFFAOYSA-N 395.463 2.782 0 40 GFAB biogenic O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)NC1CCCC1 3448492 MTYKGOMDJONAKR-UHFFFAOYSA-N 384.432 2.776 0 40 GFAB Cc1ccc(OCc2n[nH]c(SCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 3431123 VKIBJLWXCWNUSK-UHFFFAOYSA-N 397.460 2.522 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 8490272 HOQYPSBOJWLFLR-KBPBESRZSA-N 397.504 2.705 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccncc2)N1CCc1ccccc1 13692855 OURDNLADPLUAJR-IRLDBZIGSA-N 394.496 2.973 0 40 GFAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(-n2cnnn2)c1 39571865 XPHSGQBMISTGQZ-UHFFFAOYSA-N 393.447 2.646 0 40 GFAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)NC12CC3CC(CC(C3)C1)C2 5342262 NZFYOSRVXDHWOI-HJGBXLFDSA-N 395.503 2.625 0 40 GFAB CN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)Nc1ccc(F)cc1 14185214 FRQMCFXLUZSPFU-UHFFFAOYSA-N 384.860 2.823 0 40 GFAB CN(CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)S(=O)(=O)c1ccc(F)cc1 14189186 ZFRDOOZVMDEQHL-ZMSDIMECSA-N 382.501 2.921 0 40 GFAB O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1cccc2c1OCCO2 65647764 QHRXOMVHULLNPU-UHFFFAOYSA-N 394.257 2.945 0 40 GFAB Cn1cc(-c2ncc(C(=O)N3CCC[C@@H]3c3nnc4n3CCCCC4)s2)cn1 66373765 TXYRECBYUILHEG-CQSZACIVSA-N 397.508 2.839 0 40 GFAB O=C(COc1ccc(F)cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6811036 PSUMAIJWGCCIHT-MRXNPFEDSA-N 395.427 2.560 0 40 GFAB C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCO2 6848951 DRDVUTIRWVXHKF-GFCCVEGCSA-N 398.444 2.872 0 40 GFAB CC(=O)NCCc1ccc(C(=O)CSc2nnc(C(F)(F)F)n2C)s1 8878838 JWEGCEAHALWPIA-UHFFFAOYSA-N 392.428 2.549 0 40 GFAB COc1ccccc1C(=O)OCC(=O)NCc1cccc(Br)c1 67197791 GHHPFLKJNRBIKZ-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB COc1ccc(CCNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)cc1OC 67262017 WBBAVMIEOVQSNJ-UHFFFAOYSA-N 384.411 2.705 0 40 GFAB CC(C)Cn1c(=O)c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c1=O 7027574 XODWZSYIJPURDY-UHFFFAOYSA-N 378.432 2.705 0 40 GFAB COC(=O)c1cc(O[C@@H](C(=O)NC2CC2)c2ccccc2)cc(C(=O)OC)c1 7150726 HUWPPGKHVYCPJD-GOSISDBHSA-N 383.400 2.659 0 40 GFAB CCc1cccc(C)c1NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 8944684 JBFYQIRWOHNKCH-UHFFFAOYSA-N 394.518 2.892 0 40 GFAB Cc1nc(NC[C@H](O)COc2cccc(Cl)c2Cl)c2cnn(C)c2n1 67916129 LPBAWMGRAHUPSN-JTQLQIEISA-N 382.251 2.830 0 40 GFAB CCn1c(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)nnc1C1CC1 7533887 RUMGPIISAPJVIZ-UHFFFAOYSA-N 388.493 2.697 0 40 GFAB CCCc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 16049594 WOKXPAPZBYIVMF-UHFFFAOYSA-N 386.477 2.578 0 40 GFAB Cc1cccc(C)c1NC(=S)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 16314362 TYIVLUGKCARJDZ-JKSUJKDBSA-N 382.551 2.668 0 40 GFAB CCn1ncc(Br)c1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 28236140 NZTGUASCBQLKGQ-UHFFFAOYSA-N 395.276 2.763 0 40 GFAB O=C(NCCCOc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 8115490 PLKZHWUXNOHGGC-UHFFFAOYSA-N 388.489 2.670 0 40 GFAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccccc1 113481574 TZEDLOLPFSHVQT-HUUCEWRRSA-N 399.541 2.924 0 40 GFAB C[C@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)c1ccc(-n2ccnc2)cc1 8166009 DQEDTBDMSJNIDH-HNNXBMFYSA-N 389.415 2.566 0 40 GFAB O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 96234505 WQKYWSKVTNADCA-NTEUORMPSA-N 399.790 2.613 0 40 GFAB O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9423667 NCXGNIHXGNGIDQ-ZDUSSCGKSA-N 379.869 2.774 0 40 GFAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 119911293 PZCJSJAMALAIBG-NSHDSACASA-N 377.794 2.898 0 40 GFAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(C(=O)c2ccco2)CC1 9861717 OZEBYSQBJHYZPW-UHFFFAOYSA-N 383.448 2.607 0 40 GFAB O=C(CSc1nnc2nc(O)c(Cc3ccccc3)nn12)Nc1ccccc1 22720854 BCJJOOUJTCOSTF-UHFFFAOYSA-N 392.444 2.547 0 40 GFAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Br)sc1C 97013897 BYRGLOYDWWOCKS-SECBINFHSA-N 391.316 2.532 0 40 GFAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cc(Br)ccc1F 97590638 CKBPZTXRAFIRJZ-GFCCVEGCSA-N 385.277 2.819 0 40 GFAB O=C(CN1CCc2sccc2C1)N1Cc2ccccc2[C@H](n2cccn2)C1 84582095 YUZVBVWFIPPTGA-LJQANCHMSA-N 378.501 2.935 0 40 GFAB CCOC(=O)[C@H](C)N(C)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12 84791172 UYGNWEMFMFVPFM-ZDUSSCGKSA-N 392.525 2.528 0 40 GFAB C[C@@]1(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCCCN1C(=O)c1ccccc1 95469355 PHLQOIKLWQDZAK-NRFANRHFSA-N 378.432 2.880 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)cc1 95988853 QSOPVTUYEPEZEE-KGLIPLIRSA-N 396.509 2.908 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nnc(CC(C)C)o3)CC2)cc1 95957520 TYVIYKJUHOJYKU-MRXNPFEDSA-N 392.525 2.644 0 40 GFAB COc1cc(N2C[C@H](C(=O)O[C@H]3CC[C@H](C)C3)CC2=O)cc(OC)c1OC 95996092 QUVVHLCFGZCGDY-GUTXKFCHSA-N 377.437 2.797 0 40 GFAB COc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Br 9981435 VIGCNWMLLYVJSZ-OAHLLOKOSA-N 397.313 2.529 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cn(C)c(=O)c3ccccc13)CC2 524734451 GLJDPSJRPYUHOY-GOSISDBHSA-N 378.428 2.973 0 40 GFAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F 32639775 QRTCRLWIJBVZPH-JQWIXIFHSA-N 393.303 2.683 0 40 GFAB CN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccc(Cl)cc1 72241287 KRUIAJNOTYULPT-ROUUACIJSA-N 376.815 2.694 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cn(C[C@H](O)c3ccccc3)nn2)cc1OC 77100520 MIPDSEBJNCBRFQ-KDOFPFPSSA-N 396.447 2.520 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1 72414463 KZDXIHYCCWFUOO-UHFFFAOYSA-N 379.478 2.932 0 40 GFAB CCOc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225947956 ODQYVJVFBCVSBE-UZLBHIALSA-N 386.473 2.628 0 40 GFAB O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cnn2c1CCC2 574010110 AOTOXILVENCKLT-LLVKDONJSA-N 399.804 2.905 0 40 GFAB CC(C)OCCCNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225741814 HWVUXKCOKMKJIA-UHFFFAOYSA-N 381.270 2.695 0 40 GFAB CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 226259776 YEBYBVZAYYAXGO-UHFFFAOYSA-N 384.480 2.680 0 40 GFAB CC(C)c1ccc(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1 223631950 VFKPPENHMNIHAZ-UHFFFAOYSA-N 390.505 2.771 0 40 GFAB O=C(Nc1ncccc1O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 43732256 TUPGAUYJEKFXRT-JTQLQIEISA-N 376.210 2.541 0 40 GFAB COCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224259639 LFRKFLMTWPZCCD-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB COc1ccc([C@H](C)NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225975864 XEGUZHKXCLRNIE-AWEZNQCLSA-N 376.478 2.511 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@@H]2C)n1 225900322 JNFVVLAQUOYYRP-HNNXBMFYSA-N 392.573 2.779 0 40 GFAB CCNC(=O)c1ccc(OCC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224808810 PEGBVTMOSRVGBE-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1NC(=O)C(C)C 225463049 MKDRUDQHVSANMB-UHFFFAOYSA-N 399.582 2.767 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCO2 222438595 HUDCGLGHDUNSJI-MRXNPFEDSA-N 382.460 2.820 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@@H]2c2ccsc2)cc1 46089367 YUDQKIUVUNMFEI-GOSISDBHSA-N 387.505 2.802 0 40 GFAB CC(C)c1nc(CN2CCC[C@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)no1 583621789 QTOSPZZNWCWYBX-HNNXBMFYSA-N 394.479 2.857 0 40 GFAB CCSc1nnc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)s1 222983328 NJUXTKLRAQMMAY-UHFFFAOYSA-N 386.524 2.607 0 40 GFAB CS(=O)(=O)c1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 96269396 SCRUVXXEWVRLFT-SFHVURJKSA-N 397.500 2.642 0 40 GFAB biogenic,in-vitro Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2C(F)(F)F)n1 96120901 NOHWFHGIUKKRAA-UHFFFAOYSA-N 380.370 2.570 0 40 GFAB CC(C)(C)c1cc(NC(=O)N2CCC[C@H](CC(=O)O)C2)n(-c2ncccn2)n1 584709952 RHHGEOJZYYWCHR-CYBMUJFWSA-N 386.456 2.678 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 247502861 QLHHWEITWDYDSE-WKUQZLKGSA-N 391.471 2.695 0 40 GFAB Cc1cnc(C(=O)N2[C@@H](c3ccccc3)C[C@@]3(C)[C@H](O)[C@H](O)CCC[C@@H]23)cn1 257307873 TULPOQADIAONOO-CDVBAKLBSA-N 381.476 2.653 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cccs2)c(C)c1 90602011 KZOVUAVCGGBRHH-QGZVFWFLSA-N 382.507 2.591 0 40 GFAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cc(C(F)(F)F)cnc1O 635417208 AYJYGAGYADMIEA-OAHLLOKOSA-N 393.365 2.900 0 40 GFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c1 41824616 QYCLUJJPWSZKLI-DAXOMENPSA-N 398.488 2.981 0 40 GFAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)c1ccc(C(F)(F)F)cc1 72325033 RHSHJBOHAKWLPH-LBPRGKRZSA-N 379.382 2.959 0 40 GFAB FC(F)(F)c1ccc(N2CCN(Cc3noc(C4CCOCC4)n3)CC2)nc1 170927833 ZAPWEKAQRKSMPG-UHFFFAOYSA-N 397.401 2.700 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCSc1ccccc1 5313749 PLMQSOKDRGPBIB-UHFFFAOYSA-N 375.494 2.540 0 40 GFAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1N(C)S(C)(=O)=O 5516250 QSXXFJXZLCFQBD-UHFFFAOYSA-N 398.506 2.509 0 40 GFAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)c5cc[nH]n5)CC4)c(=O)c23)C1 12116283 CPGYNNVEKVVPCO-LBPRGKRZSA-N 397.504 2.783 0 40 GFAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C[C@@H](C)n2cncn2)cc1 12145700 VRWAPXVDDHADAJ-RDTXWAMCSA-N 380.452 2.617 0 40 GFAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)NCC(F)(F)F 12533880 SCRYHZSLWJDFPW-UHFFFAOYSA-N 399.442 2.634 0 40 GFAB O=C(NCc1ccccc1)[C@@H](c1ccco1)N(C(=O)c1csnn1)C1CC1 15935832 HWTBPYMIIOTMRO-QGZVFWFLSA-N 382.445 2.793 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1C 16692198 LDHYTCTWPKEKPU-INIZCTEOSA-N 390.505 2.892 0 40 GFAB Cc1nc(C)n(CC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)n1 19285764 IIJHLJMCBYUQSX-VWPQPMDRSA-N 381.524 2.764 0 40 GFAB O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc3c(cc2o1)OCO3 19370401 WXPLAPMEBIXONW-UHFFFAOYSA-N 378.428 2.840 0 40 GFAB biogenic COc1ccccc1CN1CCN([C@@H](c2nnnn2C(C)(C)C)C(C)C)CC1 19445945 RQSJSDXNYDMBSK-LJQANCHMSA-N 386.544 2.952 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529535 GSMHWGACMCKVET-QPXQOZNCSA-N 392.455 2.767 0 40 GFAB COc1ccc(F)c(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1 19551410 RKYKRPOBHAGYSP-MGPUTAFESA-N 384.455 2.723 0 40 GFAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C[C@@H]2CCOC2)CC1 19587630 POVDKCYQDGQFBZ-YRISNDGFSA-N 389.515 2.833 0 40 GFAB CC(=O)N1CCc2nnc(C3CCN(Cc4cccc(Cl)c4)CC3)n2CC1 19709439 ADNLDVXPVNQQDE-UHFFFAOYSA-N 387.915 2.716 0 40 GFAB CC(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 670280659 HYNWAQVNQGUWFW-AWEZNQCLSA-N 391.903 2.743 0 40 GFAB Cc1nc(N2CCCC2)cc(N2CCN(c3nc4ccccc4nc3C)CC2)n1 1859819250 RKKSFVBQFLZCNI-UHFFFAOYSA-N 389.507 2.963 0 40 GFAB COc1ccccc1[C@H](CNC(=O)CNC(=O)c1cccc(C)c1)N1CCCC1 27571592 YWQAUMIXQULSGM-FQEVSTJZSA-N 395.503 2.687 0 40 GFAB CCOc1ccc(-c2noc(CCC(=O)NCc3c(C)cc(C)[nH]c3=O)n2)cc1 30568482 PXRHOFZSUWUXJF-UHFFFAOYSA-N 396.447 2.689 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 32795494 KJMRMGXACNKTPL-UHFFFAOYSA-N 392.887 2.736 0 40 GFAB CSc1nc(C)cc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1 2087044669 WCIUFVAGWXFGSG-UHFFFAOYSA-N 381.509 2.754 0 40 GFAB COC(=O)[C@](NNc1ccccc1)(NC(=O)c1cccc(F)c1)C(F)(F)F 2050359 MOZHFDLHJUGQGC-MRXNPFEDSA-N 385.317 2.604 0 40 GFAB O=C(NCc1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007619 GVOCONLBVVAKRB-UHFFFAOYSA-N 389.455 2.763 0 40 GFAB CN1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 5192468 BAUKVHJCBZJFQC-UHFFFAOYSA-N 379.482 2.705 0 40 GFAB Cc1ccc(N2C[C@H](NS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1C 5221945 FSXXFLNMDQXKIY-CQSZACIVSA-N 380.416 2.665 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1 7313979 CEHUUGZIHDPVQT-UHFFFAOYSA-N 386.429 2.949 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3c(F)cccc3F)n2)cc1 9660845 TTXNUIPFUXMYTA-UHFFFAOYSA-N 385.370 2.627 0 40 GFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CC(C)C 10233654 HGPJHPGPRNAPHL-UHFFFAOYSA-N 397.454 2.610 0 40 GFAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)NC2CCCCC2)n1C 11027360 OSSZCUBEYMXGCX-UHFFFAOYSA-N 392.529 2.638 0 40 GFAB Cc1ccc(-c2nc(SCC(N)=O)c(S(=O)(=O)c3ccccc3)[nH]2)cc1 11695914 WHGKBPIRMLSTTD-UHFFFAOYSA-N 387.486 2.795 0 40 GFAB COC(=O)c1ccc2c(=O)n(CCC(=O)NC3CCCCC3)c(=S)[nH]c2c1 12415866 DGPDMPZZXIFYRY-UHFFFAOYSA-N 389.477 2.685 0 40 GFAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)NCc1cccnc1 23138344 CXGSYJOOCOUQBJ-UHFFFAOYSA-N 384.436 2.868 0 40 GFAB Cc1noc(C)c1CNC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 206643004 LGLRYDCBRMYYTO-UHFFFAOYSA-N 388.431 2.923 0 40 GFAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(C3CCOCC3)CC2)cc1 225565497 LIQJQIRXUWOHJR-UHFFFAOYSA-N 387.524 2.756 0 40 GFAB CC(C)(C)OCCOc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cn1 225727812 ZAXKNKKOSKLDCJ-UHFFFAOYSA-N 398.507 2.629 0 40 GFAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](C)c3cccc4ccccc34)cnc21 29201153 YVVDULIIYKORMG-ZDUSSCGKSA-N 388.427 2.749 0 40 GFAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(NC(C)=O)ccc1OC 45945501 AXNJSDDAILKUNR-UHFFFAOYSA-N 392.433 2.715 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)O)cc2)ccc1C 786384 LUSKCPVJZUZAPV-UHFFFAOYSA-N 390.461 2.976 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 794289 KMKHRZHBUONUSU-INIZCTEOSA-N 396.443 2.792 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O 7803677 OOMDQRHNJRXWAW-UHFFFAOYSA-N 386.496 2.839 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)c1 1353361 BRMQAFHNGJVIKO-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB O=C(Oc1ccccc1)N1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 101532508 AMHZHBJVUFDNIJ-UHFFFAOYSA-N 391.427 2.875 0 40 GFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCCc1ccccc1 21329556 DSPOCEFGESEOCO-LJQANCHMSA-N 386.517 2.662 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(OC)ccc3OC)ccc21 6729071 KVDOXOLQDOBAAI-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB Cc1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 6845552 GOYSEDQWUWDEBJ-UHFFFAOYSA-N 389.502 2.536 0 40 GFAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)nc2sccn2c1=O 6859667 IJHGSBPTTMCYAQ-UHFFFAOYSA-N 399.881 2.836 0 40 GFAB CCCCn1c(-c2cnn(-c3ccccc3)c2)nc2c1c(=O)[nH]c(=O)n2CCC 10946035 YNZXWCNACSWJIJ-UHFFFAOYSA-N 392.463 2.949 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1C 9974569 ICHZKGCAZXLJEM-QGZVFWFLSA-N 394.537 2.663 0 40 GFAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCCCN1CCCC1=O 22626880 QFHQLBUAFGMJFN-UHFFFAOYSA-N 377.391 2.681 0 40 GFAB Cc1cc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)n(-c2nc3ccccc3s2)n1 12498415 FUEPAKXTNQBEOA-OKILXGFUSA-N 385.493 2.838 0 40 GFAB CC(C)[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1cccs1 24318597 SMHBNAGZJSJTDN-QGZVFWFLSA-N 391.518 2.642 0 40 GFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C 24972627 TUJYPRKYJUYFHF-LPHOPBHVSA-N 392.459 2.941 0 40 GFAB Fc1ccc([C@H](CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)N2CCOCC2)cc1 103190474 YEABGOAQHOLJOV-OPNNQBFTSA-N 377.529 2.852 0 40 GFAB COc1cccc(CNC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)c1 57477890 SSOVORBRADDKBI-UHFFFAOYSA-N 381.407 2.683 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1 1918982 BWCITHIHFXMKGU-UHFFFAOYSA-N 389.404 2.907 0 40 GFAB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 20110726 ILXSHYDGPHOKNJ-GOSISDBHSA-N 390.505 2.946 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)NCC(F)(F)F 3379185 MBGVECNPAAFBDZ-UHFFFAOYSA-N 375.734 2.669 0 40 GFAB CC(C)(C)C(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O 36360909 LYALESFSGPFWIH-UHFFFAOYSA-N 398.503 2.952 0 40 GFAB COC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 10992553 RNIBRDORKKFUDA-CQSZACIVSA-N 381.432 2.642 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(C(=O)c3ccsc3)C[C@H]1C2 306135284 OMMRLKMMDONGTE-CABCVRRESA-N 393.472 2.536 0 40 GFAB Cc1cc(N2CCN(CC(=O)Nc3c(F)cccc3F)CC2)nc(C(C)C)n1 12769645 GWIJEOPRHMUDRQ-UHFFFAOYSA-N 389.450 2.947 0 40 GFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1F 12881643 NLMCIYHXWTVFHO-UHFFFAOYSA-N 381.860 2.937 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3449956 RFAFMRLRJRECJY-UHFFFAOYSA-N 389.411 2.618 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)c(OC)c1 408647506 JJSYRXVRORQLCH-HOCLYGCPSA-N 397.427 2.871 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1C 12939785 ICTOAXDIXZEAQA-MRXNPFEDSA-N 395.459 2.514 0 40 GFAB CC1CCN(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 13007382 MDEBOZOARGUXTN-UHFFFAOYSA-N 385.961 2.871 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)C1CCCCC1 6052434 OCBIXASISLDVFG-CQSZACIVSA-N 396.509 2.696 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCc2cc(-c3ccccc3)no2)ccc1Cl 14244666 BYAMBHZVOUZISE-UHFFFAOYSA-N 392.820 2.999 0 40 GFAB Cn1c(O)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1=O 5626156 IBTHSINXMKTXRP-UHFFFAOYSA-N 381.232 2.776 0 40 GFAB C[C@@H](c1nc(C2CC2)no1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 69981846 ZCVAPRJCIJLOEU-LBPRGKRZSA-N 396.447 2.934 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 8707118 AFOXSWIEGCIXJM-LLVKDONJSA-N 393.896 2.686 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCN(C(=O)C2CC2)CC1 8744980 DIJYDAWUVLIUKR-UHFFFAOYSA-N 380.492 2.503 0 40 GFAB CNC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 8805881 NUFWBWZYSHZERO-UHFFFAOYSA-N 388.379 2.543 0 40 GFAB O=C1N=C(O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc(F)cc1 8974687 POEHVJKKULFRRA-UWJYYQICSA-N 395.390 2.697 0 40 GFAB CCc1cccc(NC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 96001738 FLOCKHXUYYTDAN-MRXNPFEDSA-N 382.424 2.638 0 40 GFAB CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)[C@@H]1CCS(=O)(=O)C1 9536694 WGXQXMYAQKMCOL-CQSZACIVSA-N 390.509 2.539 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)c1cccc(N2CCCC2=O)c1 9503320 VIQXOJLHYLWEMV-UHFFFAOYSA-N 399.501 2.885 0 40 GFAB Cc1cc(C(=O)Cn2ccnc2S(C)(=O)=O)c(C)n1CCc1cccs1 72307046 OPBZHDYVNSVZAB-UHFFFAOYSA-N 391.518 2.892 0 40 GFAB Cn1c([C@H](NS(=O)(=O)Cc2ccon2)c2ccccc2)nc2ccccc21 84313977 RCMGPLDFCXGBSI-GOSISDBHSA-N 382.445 2.770 0 40 GFAB NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1 72403198 KJAKJOYAFYLAJV-HNNXBMFYSA-N 382.445 2.981 0 40 GFAB O=S(=O)(C[C@H]1CCCCO1)Oc1cccc(I)c1 95948175 NOLFAUFQBRTLDO-GFCCVEGCSA-N 382.219 2.569 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 22515826 AHCPENIMAMKNLL-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1 28891905 UTVNRJIBZRHRAE-OAQYLSRUSA-N 391.471 2.916 0 40 GFAB COc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408593948 QUHRFEXJSNQGQQ-UHFFFAOYSA-N 389.477 2.801 0 40 GFAB Cc1cccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 30528394 SJEBGSZZVBTXFC-UHFFFAOYSA-N 398.488 2.742 0 40 GFAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 306131715 KNPSTXLDZQRHPC-QGZVFWFLSA-N 381.476 2.540 0 40 GFAB Cc1ncsc1CN1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306127482 FZJOCWJMLGQDAJ-ROUUACIJSA-N 379.489 2.730 0 40 GFAB CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241280 BVBHUACEVGIIEV-IAGOWNOFSA-N 378.881 2.958 0 40 GFAB O=C(Cc1ccccc1)N1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 526988524 FHURLCDHECVBMW-UHFFFAOYSA-N 395.894 2.808 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@]12C[C@H]1COC2(C)C 528921229 SNISXYSZOQMEFG-LIRRHRJNSA-N 395.525 2.713 0 40 GFAB CCN(CC)[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1 78878188 YYXWNTUFOMBUQS-KRWDZBQOSA-N 392.525 2.954 0 40 GFAB COc1ccc(CNC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1OC 41253531 IXUCSUBIHHDESW-UHFFFAOYSA-N 393.443 2.634 0 40 GFAB COc1ccccc1NC(=O)c1c(O)c2cnn(Cc3ccccc3)c2[nH]c1=O 49411797 YJHGCIZUNDNPFL-UHFFFAOYSA-N 390.399 2.739 0 40 GFAB CN(c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1)S(C)(=O)=O 225861675 NLEFIEYVWGHUDX-UHFFFAOYSA-N 388.489 2.769 0 40 GFAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cn1 225877823 CVGXGFYYBCISAB-UHFFFAOYSA-N 386.448 2.802 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 225496300 XQTOITCHKKIUAY-HNNXBMFYSA-N 388.489 2.829 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 44908696 STEUOTINNHWBCF-KRWDZBQOSA-N 384.476 2.725 0 40 GFAB O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1cc(C2CC2)on1 77100898 DWGTZFXSUVMZOD-UHFFFAOYSA-N 390.447 2.921 0 40 GFAB CCc1c(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cnn1-c1ccc(OC)nn1 40113210 OVFANLAADZOFGO-RHSMWYFYSA-N 387.484 2.558 0 40 GFAB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220609324 JRRSBJKQDWYZNR-LJQANCHMSA-N 390.505 2.898 0 40 GFAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21 96053499 ATFKIVGBDMWPOZ-KRWDZBQOSA-N 388.508 2.819 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)c1F 245039130 OGUOPHDZJWRTQU-OAHLLOKOSA-N 395.438 2.872 0 40 GFAB Cn1ccnc1-c1cc(C[C@@H]2CCCN(C(=O)Cc3cccs3)C2)ncn1 257301026 RWPVBPXLQLFCBA-HNNXBMFYSA-N 381.505 2.962 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 260759378 AXMUQZGLEGUYSV-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 612094438 NVCQJUKBAXUQET-NRFANRHFSA-N 399.516 2.699 0 40 GFAB CNC(=O)c1ccc(CS(=O)(=O)NC2(c3c(F)cccc3F)CCC2)cc1 606444950 TWMGIDPONIMCLY-UHFFFAOYSA-N 394.443 2.823 0 40 GFAB O=C(COc1ccc(F)cc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390829089 CQXMADQRVBXGDN-SFHVURJKSA-N 395.427 2.732 0 40 GFAB CC[C@]1(CNC(=O)N2CCc3c(cccc3C(N)=O)C2)OCCc2ccccc21 585094483 PKIDCJIEGJWGHX-HSZRJFAPSA-N 393.487 2.731 0 40 GFAB C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 72393804 QZTMSNYTNMTRDJ-LLVKDONJSA-N 387.390 2.805 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615154731 GQNCCGCNLHMMHR-JOCHJYFZSA-N 380.444 2.733 0 40 GFAB COc1ccc(COCCN2C[C@H]3C[C@H]2[C@H]3NC(=O)c2ccccc2F)cc1 1615612317 WJGOEWDFWXWLMP-CZAAIQMYSA-N 384.451 2.854 0 40 GFAB COc1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 12087290 XAFXRDBKSXIRDO-UHFFFAOYSA-N 389.473 2.828 0 40 GFAB CCCN1C[C@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2c(Cl)cnn2C)C1 12364787 ISUUVUAIMXSPEL-WBVHZDCISA-N 376.888 2.690 0 40 GFAB CCCc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)s1 15922163 LRAITKAXUZAADK-AWEZNQCLSA-N 394.522 2.591 0 40 GFAB COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16188448 YYSCEHRKOBXGSL-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB C[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 16642155 MFWDYHBFUYLVRI-LLVKDONJSA-N 379.254 2.694 0 40 GFAB COc1ccc(CN2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)cc1 19018883 UTDUWRAMIOLJHO-UHFFFAOYSA-N 380.492 2.769 0 40 GFAB Cc1cc2nc(C[C@@H](NC(=O)[C@H]3CCCCO3)c3ccc(F)cc3)cc(O)n2n1 19129848 GGLLRHJSSADCSL-QZTJIDSGSA-N 398.438 2.852 0 40 GFAB O=C(c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)no1)N1CCC(O)CC1 19293829 BRBFPDLDFPGFDH-INIZCTEOSA-N 387.455 2.790 0 40 GFAB O=C(NCCN1C(=O)CSC1=O)c1cc(-c2ccncc2)nc2ccccc12 19376048 VQCKVMULFVXHQU-UHFFFAOYSA-N 392.440 2.722 0 40 GFAB O=C([C@H]1CCCCO1)N1CCC[C@H]1c1n[nH]cc1-c1ccnc(N2CCCC2)n1 19404102 QVIRKIIMJFLJRN-ZWKOTPCHSA-N 396.495 2.700 0 40 GFAB CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19446844 AHWULOJENQKRJC-LEWJYISDSA-N 398.555 2.757 0 40 GFAB CCCC(=O)N1CCO[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19501476 FUSYDDKRAAORHH-QHCPKHFHSA-N 395.503 2.777 0 40 GFAB CNc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CCN(C)C2 19752991 UNSLMWVOPARBLM-GOSISDBHSA-N 393.535 2.845 0 40 GFAB CCOc1ncccc1CNC(=O)Cn1c(-c2cccs2)n[nH]c1=S 31324471 KEOWXFOKKMZTIY-UHFFFAOYSA-N 375.479 2.779 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@@H](c3noc(-c4ccccc4)n3)C2)c1 238875906 OANJBZSDDYIIGJ-OAHLLOKOSA-N 385.445 2.923 0 40 GFAB COc1ccc(C)c2sc(N3CCN([C@H](C)C(=O)NC(C)C)CC3)nc12 2087056945 KIIUBJZFATYKIU-CQSZACIVSA-N 376.526 2.648 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccsc1)C1=Cc2cc(F)cc(Cl)c2OC1 1654761852 SXBPBAYOPPGTBN-AWEZNQCLSA-N 389.857 2.927 0 40 GFAB COc1ccccc1CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438466 ILNXSGJKYLGDAZ-UHFFFAOYSA-N 388.489 2.598 0 40 GFAB CCOc1ccc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc1 10217687 ILOVOXAXFSJYPB-UHFFFAOYSA-N 382.416 2.670 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)NCc1cccs1)c1cccc2ccccc12 10333590 CECHHGYJNBESNO-LJQANCHMSA-N 381.501 2.937 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c2ccccc2n1 23106639 OIZMKRHDHIZBSX-KRWDZBQOSA-N 382.489 2.962 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cncc(Br)c3)C2)c1F 245171773 XUNUGEHJGAAZRJ-GFCCVEGCSA-N 395.232 2.629 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)cc1 40072406 AJUWRLKWDZPFPU-HNNXBMFYSA-N 387.505 2.675 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1 100707228 HMEFWBBNVCXWGL-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)ccc1C 59423870 NBBKZWIBQWCICP-UHFFFAOYSA-N 395.408 2.591 0 40 GFAB O=C(c1cc(S(=O)(=O)Nc2ccccc2Br)c[nH]1)N1CCCC1 29434753 ILIGETZLRAFEKW-UHFFFAOYSA-N 398.282 2.814 0 40 GFAB O=C(CSc1nnnn1C1CC1)Nc1ccnn1Cc1cccc(Cl)c1 29528809 FWLGCPCTEKBRCX-UHFFFAOYSA-N 389.872 2.637 0 40 GFAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 3386550 XKSSYVOQBXABDR-GFCCVEGCSA-N 387.388 2.659 0 40 GFAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccnc1 4271584 DAGJPTNPSYHZKH-SFHVURJKSA-N 381.407 2.824 0 40 GFAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)NCc2ccccc2)s1 4851491 KWECEHSIYWGVMZ-UHFFFAOYSA-N 379.511 2.867 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)cc1 6615036 TVCLFZWSGBLFQF-UHFFFAOYSA-N 394.522 2.940 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 6880479 UYBCMIHEYYJYDY-UHFFFAOYSA-N 384.404 2.671 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)[C@H]4C[C@@H]4C)nn3c2O)C1 100234294 GUGSAROJMAAULR-DHSIGJKJSA-N 383.496 2.521 0 40 GFAB C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)NC(N)=O 2622633 IUUVSOYAOUXPEZ-GFCCVEGCSA-N 399.451 2.808 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC(C)C)cc2)no1 12029143 WRMGJMBQNGXCJD-INIZCTEOSA-N 393.465 2.562 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1 8133782 WNDLYDVRAFORRT-MRXNPFEDSA-N 394.537 2.935 0 40 GFAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccccc4)CC3)nc(C(C)C)nc12 28557689 MKEGTCDADAYUDN-UHFFFAOYSA-N 378.480 2.758 0 40 GFAB CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670390 VVEDKJNPNPKZSO-MOPGFXCFSA-N 388.491 2.511 0 40 GFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)cc2OC)CC1 887311 XLBILLVCAMIUAM-UHFFFAOYSA-N 376.478 2.523 0 40 GFAB CCn1cc(Cl)c(CN(C)C(=O)c2cc3ncc(Br)cn3n2)n1 2808930 JRQAYJTWBNNSKU-UHFFFAOYSA-N 397.664 2.634 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccn2)N1CCc1ccccc1 12325035 PDFCVQPUUAYNQR-RBBKRZOGSA-N 394.496 2.973 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc(F)c1 101188609 BUIRXUKDPLWXQU-DCXXXQMHSA-N 394.439 2.769 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O 22273533 HCDBMVMNVVAGGP-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 22606225 BVRQAVNVYBZHQX-LBPRGKRZSA-N 380.441 2.721 0 40 GFAB NC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1 47438756 FLMXSQRYBBYMKO-MRXNPFEDSA-N 395.484 2.967 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3ccccc3F)CC2)c1C 34870379 NPGWMCRNMGOOJC-UHFFFAOYSA-N 383.467 2.768 0 40 GFAB O=S(=O)(NC1CC1)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 12584655 UARVHHQYFNJYRL-UHFFFAOYSA-N 386.882 2.582 0 40 GFAB CCOC(=O)c1c(C)oc2nc(CN(C)CCOc3ccccc3)nc(N)c12 57362944 AHFBTANLGCIBID-UHFFFAOYSA-N 384.436 2.801 0 40 GFAB CCCCN(C)C(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57490018 CDYWKAQBBFYWGO-UHFFFAOYSA-N 385.489 2.781 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12532144 QKQKRMUEBRIUTB-CQSZACIVSA-N 399.470 2.870 0 40 GFAB O=c1n(CCN2CCC(c3nc4ccccc4s3)CC2)nc2ccccn12 26902871 XWAVDAMKPFLPHP-UHFFFAOYSA-N 379.489 2.985 0 40 GFAB Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1C 27265929 JAMGIDKMAFXAIX-UHFFFAOYSA-N 395.488 2.739 0 40 GFAB COCCN1C(=O)[C@H](Oc2cccc(OC)c2)[C@@H]1c1ccc(OC)c(OC)c1 58155031 ZSSVKVDGDCABAU-VQTJNVASSA-N 387.432 2.690 0 40 GFAB COc1ccc(-c2cnn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)n2)cc1 44804181 PIHYTOYFNSZSTQ-UHFFFAOYSA-N 384.823 2.914 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCSc2c(F)cccc21 12622659 KOLCIFZQCYFTCP-OAHLLOKOSA-N 399.447 2.572 0 40 GFAB COC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 12751849 CJJUKZPZMILQDV-KRWDZBQOSA-N 380.444 2.604 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1F 48247930 HOXZJUSGZCIZAX-AUUYWEPGSA-N 384.455 2.556 0 40 GFAB Cc1ccc(-c2ccsc2C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 48342250 PSFHNYFFUIUJAU-HNNXBMFYSA-N 378.519 2.877 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1cc2ccccc2o1 12807100 SZZQAAIOSYZNTO-YOEHRIQHSA-N 391.427 2.773 0 40 GFAB CCCn1c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c(=O)c2ccccc21 3596264 GSEMFFOUROGARX-UHFFFAOYSA-N 383.429 2.678 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)sc(C(=O)NC)c1C 13056165 QFSHMGUSTBSRIY-TXEJJXNPSA-N 395.525 2.509 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccn(C)n1 13012914 OHMZXGITMNAFIX-UHFFFAOYSA-N 388.424 2.921 0 40 GFAB COc1cccc([C@@H](CNC(=S)NCc2ccc3c(c2)OCO3)N(C)C)c1 13056128 MQOXPTCQSRIATO-QGZVFWFLSA-N 387.505 2.691 0 40 GFAB CCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 22352210 BGQIGAWIZQMRLR-UHFFFAOYSA-N 378.469 2.851 0 40 GFAB OCCN1CCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)CC1 14022500 BSPBUIBKCFMSGU-UHFFFAOYSA-N 395.532 2.746 0 40 GFAB COCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 14048949 YGDQVSCAANJEBU-UHFFFAOYSA-N 396.447 2.827 0 40 GFAB Nc1ccc(Cl)cc1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 4894247 YVVOMKBBAOBHEW-UHFFFAOYSA-N 391.830 2.567 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2N)cc1 7061707 ZHQYYOZCLLNAHZ-ZIAGYGMSSA-N 389.525 2.654 0 40 GFAB CN(CCNC(=O)C[C@@H]1CSc2ccccc2NC1=O)Cc1ccccc1 20031589 FSHIDLYIFZENNW-QGZVFWFLSA-N 383.517 2.985 0 40 GFAB COc1cc(C)c(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1OC 8936332 GJQKLBUVYDUGSI-UHFFFAOYSA-N 389.452 2.596 0 40 GFAB Cc1cc(C(=O)COc2cccnc2Cl)c(C)n1[C@@H]1CCS(=O)(=O)C1 84079575 GLUQKJPXJCQHJD-CYBMUJFWSA-N 382.869 2.775 0 40 GFAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N[C@@H]1CCS(=O)(=O)C1 9156291 LOOCNBLWXUHUQF-PSASIEDQSA-N 390.939 2.734 0 40 GFAB O=C(CNc1cc(Cl)cc(Cl)c1)NN1C(=O)NC2(CCCCC2)C1=O 22017743 VJORQDWDLSRFAO-UHFFFAOYSA-N 385.251 2.691 0 40 GFAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 9614256 OPKJSBQISOFBTN-MRXNPFEDSA-N 393.443 2.977 0 40 GFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 79191138 GRRRBCDZKYFAKC-LPHOPBHVSA-N 382.368 2.963 0 40 GFAB biogenic O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 408623137 QYPXGYFJRNGTOB-UHFFFAOYSA-N 394.250 2.742 0 40 GFAB Cc1ccc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 306131299 KAPKLKYGNPXTRN-MRXNPFEDSA-N 383.521 2.925 0 40 GFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408591409 MBJNSNHBXDOORL-HNNXBMFYSA-N 388.489 2.730 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 35485112 ZWYCYSSVDBSDKV-NDXORKPFSA-N 377.488 2.569 0 40 GFAB biogenic CCOC(=O)c1oc(C(=O)OCC)c(Br)c(=O)c1Br 32291505 WAPREULXOBKLOM-UHFFFAOYSA-N 398.003 2.518 0 40 GFAB COC(=O)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 30209145 LCKSHIFMNNSZES-INIZCTEOSA-N 384.407 2.624 0 40 GFAB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1OC 33932329 DMZVKBJAWAEGHL-WJDWOHSUSA-N 392.367 2.920 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)CC)c2)cc1 225968012 NFWIBUANAZNKIQ-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1C[C@H]1CCCO1 40398021 RFOLCTJOHSATTQ-CQSZACIVSA-N 381.823 2.939 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791504 ADQYNNLEOOAZSP-UHFFFAOYSA-N 394.504 2.769 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222484204 MFCLSDAQWLXBIJ-MRXNPFEDSA-N 390.505 2.897 0 40 GFAB COc1ccc2cc(S(=O)(=O)NC[C@@H]3COc4ccccc4O3)ccc2c1 225282816 DUXKRMAUGINWGR-QGZVFWFLSA-N 385.441 2.967 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1N1C(=O)CCC1=O 225846816 BRVWMPKCEVSNGK-UHFFFAOYSA-N 388.445 2.766 0 40 GFAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc(C)c1)S(C)(=O)=O 220502125 ZTYUZORAHNOFSP-MRXNPFEDSA-N 390.461 2.907 0 40 GFAB CCCN1C(=O)N[C@H](CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C1=O 257367415 NYDTXPKRSIXSCG-QKMNUUQDSA-N 383.492 2.796 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)c1 257297496 RHMSSDVXSJKKER-MRXNPFEDSA-N 395.419 2.911 0 40 GFAB Cc1cc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccc(C)nc4O)C3)n2)[nH]n1 257267038 MFRYEJUPLINICB-CQSZACIVSA-N 393.451 2.599 0 40 GFAB N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 652383153 BLNLQIDEWVEPPW-GRYCIOLGSA-N 398.472 2.816 0 40 GFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(Oc2cc(C)ccn2)CC1 679852063 APBGUGWQXVMZBD-FQEVSTJZSA-N 379.460 2.738 0 40 GFAB Cc1ccnc(Nc2cc(NCCNS(=O)(=O)c3ccccc3)nc(C)n2)c1 90607977 CJQCLJVCHXPHHC-UHFFFAOYSA-N 398.492 2.622 0 40 GFAB COc1cccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)c1 169768642 MNNHVLHBDSUELZ-UHFFFAOYSA-N 383.477 2.852 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 1615118458 CPQWMSGOPMKGET-NRFANRHFSA-N 383.423 2.567 0 40 GFAB O=C1OC2(CCN(Cc3ccncc3)CC2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162780 VUQCMNOECQFGLK-NRFANRHFSA-N 392.503 2.753 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)Nc3cc(C)ccc3O)C2)cc(OC)c1OC 5030770 MBPPPHUGHMTPMZ-SFHVURJKSA-N 386.404 2.858 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 5329442 LWYKOTWNJKBUSI-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)Cc3ccccn3)nn2c1O 12222234 GHNTVEAXIGYQBL-GOSISDBHSA-N 379.464 2.997 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1 13668604 VCSLMRYFOWNSFT-GOSISDBHSA-N 395.569 2.532 0 40 GFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 15473128 WYUDMUOIEDQMAR-UHFFFAOYSA-N 394.349 2.823 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 18177597 IZPOKGXCFDJBDM-CQSZACIVSA-N 381.454 2.832 0 40 GFAB Nc1ccc(C(=O)N2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)cn1 19712137 JFQJMLRSXOBJFH-CEXWTWQISA-N 396.466 2.688 0 40 GFAB Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 5752820 YMQRQCUQIARFMQ-UHFFFAOYSA-N 396.230 2.609 0 40 GFAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@H]2C1 1888866346 INFZFAYHDMCUON-HOTGVXAUSA-N 383.496 2.516 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@H]3C2)n(C)n1 1888897116 DQUZPPLKFJHLEJ-IAGOWNOFSA-N 392.507 2.868 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)Cc2cccnc2)CC1 1848625235 PNBGPIAIJZDRDG-UHFFFAOYSA-N 376.460 2.581 0 40 GFAB CCc1cnc(OC2CCN(C(=O)c3cncc(Br)c3)CC2)nc1 1776001628 CQVWIOIYZVGLCY-UHFFFAOYSA-N 391.269 2.880 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1ccco1 245070482 QLQRZCHFNUHZSZ-KRWDZBQOSA-N 397.449 2.703 0 40 GFAB O=C(COc1ccccc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037839725 BNRGYIMMMRNVRQ-UHFFFAOYSA-N 398.434 2.629 0 40 GFAB Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(C(C)C)C[C@H]2c1ccccc1 1565541865 GBDRMURGYFBMTR-AVRDEDQJSA-N 397.475 2.537 0 40 GFAB COc1ccc(CCNc2ccc(S(=O)(=O)C(C)(C)C)nn2)cc1OC 16844618 UXHLIZGJWVXEFR-UHFFFAOYSA-N 379.482 2.721 0 40 GFAB CN1CCN([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccsc2)CC1 22765560 HLFDENHWJKYVQV-GOSISDBHSA-N 397.500 2.573 0 40 GFAB CNC(=O)Cc1csc(NC(=O)Cc2csc(Nc3ccccc3)n2)n1 23235316 YQCGJOASHVKZIL-UHFFFAOYSA-N 387.490 2.813 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19499452 BHCPOGNMTHWJNY-HNAYVOBHSA-N 398.482 2.825 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1 28813458 DQFAUMCNGGXMIE-UHFFFAOYSA-N 376.434 2.594 0 40 GFAB CCc1nn2c(=O)cc(CNc3ccccc3C(=O)N3CCCCC3)nc2s1 40012067 KANBMVVZZUXKPB-UHFFFAOYSA-N 397.504 2.952 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nnc(C(C)C)s1 40267641 YNMTXKQDUHWROB-IBGZPJMESA-N 399.476 2.599 0 40 GFAB CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc(F)cc2)c(S(C)(=O)=O)c1 59419513 IKLGRIOGOHRFFB-MRXNPFEDSA-N 397.493 2.974 0 40 GFAB COC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 46085609 UENKXGFXRGDPIE-LJQANCHMSA-N 396.487 2.614 0 40 GFAB Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccccc1N 1364488 ARXYSKUQGREIOG-UHFFFAOYSA-N 382.445 2.811 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1CCOc1ccc(Br)cc1 3309789 DLGRUMCEICUYOI-UHFFFAOYSA-N 382.235 2.673 0 40 GFAB O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6150286 PIQDQXDTPIUCCI-GOSISDBHSA-N 391.427 2.871 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(F)c(Cl)c1 6259659 FLQSJFNDQVSLJE-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1 8138652 JCDJVWUZTMUOEZ-UHFFFAOYSA-N 386.429 2.949 0 40 GFAB Cc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 6451638 DZVZZENRDSYJGU-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CN1C2=C(C(=O)CCC2)C(c2ccccc2OCC(N)=O)C2=C1CCCC2=O 8091667 CSZLVFICCNCVMV-UHFFFAOYSA-N 380.444 2.594 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)N4CCCN4[C@H]3C2=O)cc1 102680977 IVURGWXIBVBMFH-XUVXKRRUSA-N 377.444 2.539 0 40 GFAB O=C(OCCNC(=O)C1CCCC1)c1cnc2c(cnn2Cc2ccccc2)c1 89840965 ZRZFCMPYKJZBEB-UHFFFAOYSA-N 392.459 2.943 0 40 GFAB COc1cc2ncn(CC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2cc1OC 20763546 VDERAWINFXGSAJ-FPTDNZKUSA-N 399.491 2.841 0 40 GFAB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)NCc1ccco1 22473443 ZLFBDZNQZRACQY-LBPRGKRZSA-N 395.444 2.911 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 54307259 XYTFWCKCQCFEJG-UHFFFAOYSA-N 378.476 2.611 0 40 GFAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1C 104715300 BQJXBYONTMNTDU-XEZPLFJOSA-N 380.872 2.696 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CNc1cc(S(C)(=O)=O)ccc1C 23627097 SVICYIFJPSSGMR-CQSZACIVSA-N 376.478 2.696 0 40 GFAB COCCCNC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 55106320 CCMABQIHTJXQNM-MRXNPFEDSA-N 388.508 2.799 0 40 GFAB O[C@H]1C[C@](CNCC2CCCC2)(COc2ccc(C(F)(F)F)cn2)C[C@H]1O 107430430 ZCRBINUTNYOHSW-ALXJQNPVSA-N 388.430 2.761 0 40 GFAB biogenic,in-vitro O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1CN(Cc3cccs3)C[C@@H]1C2 306140046 UIFQRKLAPBZBPY-PBHICJAKSA-N 398.532 2.597 0 40 GFAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc2ccccc2oc1=O 28292983 KFUVOKOOPJOOBW-IBGZPJMESA-N 378.428 2.596 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 36398784 IOFRTAUGBGKISH-UHFFFAOYSA-N 376.434 2.634 0 40 GFAB COc1cccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)c1OC 2387733 CTNWWJZSVDYXIH-WJDWOHSUSA-N 379.441 2.691 0 40 GFAB CC(C)(C)c1nn(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(=S)[nH]1 12813155 QBZICBGQTZRYOZ-OAHLLOKOSA-N 394.566 2.885 0 40 GFAB O=C(Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1)c1nc2ncccn2n1 36618710 GJJYCQSGBIXNFQ-UHFFFAOYSA-N 387.325 2.640 0 40 GFAB CCNC(=O)c1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 12926037 BETYRZGDADADJT-UHFFFAOYSA-N 381.432 2.581 0 40 GFAB O=S(=O)(NCCCN1CCOCC1)c1cc(Cl)c(Cl)cc1Cl 22888873 RAUYZIZZZOCTIQ-UHFFFAOYSA-N 387.716 2.647 0 40 GFAB CCN1CCN([C@H](C)CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 48712896 LEQXQAKXZGBTSM-OAHLLOKOSA-N 391.510 2.883 0 40 GFAB COc1ccc(Cn2nnnc2SCC(=O)N(C)Cc2ccsc2)cc1 8327864 ZZCJHQWIKZSYTG-UHFFFAOYSA-N 389.506 2.542 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 3847604 NUKWPDXDMGXCBV-SJORKVTESA-N 392.496 2.826 0 40 GFAB biogenic O=C(NCCCOC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 61260426 XGDMGGFRNVACJU-UHFFFAOYSA-N 380.510 2.550 0 40 GFAB CC1CCC(NC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)CC1 6103475 OSKKFYKYWGPHBD-UHFFFAOYSA-N 382.460 2.808 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 65667430 OWMVPHHIMXEOLF-UHFFFAOYSA-N 399.472 2.707 0 40 GFAB COc1cccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)c1OC 14241008 XQOVIGCJYKFSBD-UHFFFAOYSA-N 390.509 2.772 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 9184181 GTEGJJNZEGVKLG-UHFFFAOYSA-N 397.862 2.560 0 40 GFAB Cc1cccc(C(=O)N2CCCN(C(=O)c3cccc4c3OCCO4)CC2)c1 67159884 PWOPTDVJHZJJBY-UHFFFAOYSA-N 380.444 2.755 0 40 GFAB COCCNC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc2c1CCCC2 7460009 KWOXUEOWMFCJDT-UHFFFAOYSA-N 393.553 2.674 0 40 GFAB Cc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 15858252 GPCODNLNACDCPX-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7587678 YRVMSEBABKJIIQ-MRXNPFEDSA-N 399.516 2.861 0 40 GFAB COC(=O)C[C@@H](c1ccncc1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96223419 IWNGZMJVKRNEJI-INIZCTEOSA-N 379.416 2.731 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccccc1-n1cnnn1 96231756 RCOHSYMXNBIUJK-SFHVURJKSA-N 388.431 2.960 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCO3)c1C 9517025 JEUJGHAWINPTNL-GFCCVEGCSA-N 387.388 2.965 0 40 GFAB CC(=O)N1CCN(Cc2cccc(NC(=O)c3c(F)cccc3Cl)n2)CC1 97022343 JRVFBFKNMAWSAH-UHFFFAOYSA-N 390.846 2.791 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408556121 HUEOLEVMCNCANH-UHFFFAOYSA-N 380.441 2.922 0 40 GFAB COc1cccc(CNC(=O)[C@@H](C)N2CCC(COc3ccccn3)CC2)c1 72308563 MOWPNGJLGPMGSJ-QGZVFWFLSA-N 383.492 2.886 0 40 GFAB O=C(NCCNC(=O)c1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 97497030 LMTOOSNEKYGWLO-UHFFFAOYSA-N 381.215 2.882 0 40 GFAB O=C(NCCCc1ccc(O)cc1)C(=O)Nc1ccc(-c2ccccc2)nn1 95461398 UKXVJPNHTPXJMS-UHFFFAOYSA-N 376.416 2.537 0 40 GFAB CC[C@@H]1CCc2nc(NC(=O)c3ccc(S(N)(=O)=O)cc3F)sc2C1 95983234 BASZFYCBHCBJPY-SECBINFHSA-N 383.470 2.697 0 40 GFAB O=C(CNC(=O)c1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 9910800 QKBKORFBSRKJPE-UHFFFAOYSA-N 396.472 2.501 0 40 GFAB COc1cc(C(=O)NC2CCN(c3cc(C)ncn3)CC2)cc(Cl)c1OC 79045574 YMPLRAAIYCFPPP-UHFFFAOYSA-N 390.871 2.854 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23117687 IZRFCMLPQOERIT-CYBMUJFWSA-N 381.407 2.710 0 40 GFAB CCc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 408702472 GOHMJRLUSUPBNY-UHFFFAOYSA-N 390.461 2.773 0 40 GFAB O=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)c1nc2ncccn2n1 36618825 RCKWIGGTYUQCAR-UHFFFAOYSA-N 388.218 2.928 0 40 GFAB CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 306132128 KZPQLDUQCZQPLZ-MRXNPFEDSA-N 379.451 2.566 0 40 GFAB O=C(N[C@@H]1CCn2ccnc2C1)N1CCN(Cc2cccc3ccccc23)CC1 547630772 LPVUBUBREFSKSL-HXUWFJFHSA-N 389.503 2.879 0 40 GFAB COCCNC(=O)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1 36353343 NXIARENYIYCUJR-UHFFFAOYSA-N 391.349 2.781 0 40 GFAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1N1C(=O)CNC1=O 530320283 YAXVKYZNRWGCNY-UHFFFAOYSA-N 393.378 2.628 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cc1 72339884 OOPTZVSOMIOHHP-UHFFFAOYSA-N 375.432 2.761 0 40 GFAB COc1ccc(-c2c(C)nn3c(NCCN4CCOCC4)cc(C)nc23)cc1 72341677 KGBVJFCFRTVCQC-UHFFFAOYSA-N 381.480 2.766 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3cncc(-n4ccnc4)n3)CC2)cc1 72355321 YUHAWSWIZIUWLK-UHFFFAOYSA-N 377.448 2.620 0 40 GFAB C[C@@H]1CCCCN1c1ccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)nn1 56901067 ZQIVDLPLIOZXIG-PYUISTEWSA-N 381.480 2.810 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 33594535 RUMQYBLCPBBEQC-UHFFFAOYSA-N 389.477 2.515 0 40 GFAB COc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)cc1OC 32646745 ADIDKPWWJGFIEW-UHFFFAOYSA-N 388.811 2.955 0 40 GFAB COCc1n[nH]c(NC(=O)c2nccnc2C(=O)O)c1-c1ccc(Cl)cc1 72400484 MQINAUVWSQCEJX-UHFFFAOYSA-N 387.783 2.617 0 40 GFAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C(=O)C2CCOCC2)n1 72360404 YUGBLILEJOOKLP-OAHLLOKOSA-N 388.497 2.779 0 40 GFAB CCCc1noc(-c2cc(S(=O)(=O)NCc3ccco3)ccc2OC)n1 46020176 RWAMJYBJFKBWEI-UHFFFAOYSA-N 377.422 2.769 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1)c1ccccc1 222644959 MPWLMYYBDKTHDZ-LBPRGKRZSA-N 390.490 2.739 0 40 GFAB COCc1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 223635925 RCDKDEDQVCMWMO-UHFFFAOYSA-N 382.869 2.891 0 40 GFAB O[C@@H](COCCOc1ccc(F)cc1)CN1CCN(c2ccc(F)cc2)CC1 41690273 RSIYMMMXSLSRFV-HXUWFJFHSA-N 392.446 2.543 0 40 GFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(F)(F)F)s1 224448513 XVNSBERNTMMDTL-UHFFFAOYSA-N 394.400 2.952 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1C 222475547 MJSPXGFOGIXRIH-UHFFFAOYSA-N 390.461 2.738 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccccc2)cc1Cl 226047590 LYBUPCBGYWAMJQ-UHFFFAOYSA-N 382.869 2.632 0 40 GFAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 225092111 TXMIABLDADDGHH-UHFFFAOYSA-N 392.458 2.655 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1F 225885239 AAIRBYLPWJKGSF-UHFFFAOYSA-N 384.860 2.557 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1F)CC2)c1cnccn1 77196317 HQZCWEVCCOIXRQ-UHFFFAOYSA-N 398.423 2.915 0 40 GFAB COc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225477192 VKZMSPJFFSBLAH-JTQLQIEISA-N 398.510 2.571 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccccc3)C2)c(Cl)c1 576700615 NUPLVJUUZGPGSI-HNNXBMFYSA-N 395.864 2.969 0 40 GFAB CC(C)Cn1nc(CC(=O)Nc2ccc3c(c2)COC3=O)c2ccccc2c1=O 95472356 SFMNNTMCERQMEF-UHFFFAOYSA-N 391.427 2.904 0 40 GFAB CC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 243035413 ICNAXOHERKTCGR-UHFFFAOYSA-N 380.853 2.947 0 40 GFAB CC(C)c1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)cc1 257203814 ARSVWYCRAOPVAC-WOJBJXKFSA-N 398.459 2.571 0 40 GFAB CCN(CC)C(=O)CN1CC[C@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 257295784 QZVURGQJDQCLAE-AWEZNQCLSA-N 388.537 2.656 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 260832410 JHAQZCNATCGWKU-KPZWWZAWSA-N 392.864 2.896 0 40 GFAB Cn1c(-c2ccc(NC(=O)CN3CCCC[C@@H](O)C3=O)cc2)nc2ccccc21 644345692 FUEOBHMFHLDKBM-LJQANCHMSA-N 392.459 2.552 0 40 GFAB NCC1(O)CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 647095090 XGGDJBGBMURQML-UHFFFAOYSA-N 399.438 2.684 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)cc1 647623187 XJZWBNXDHKYRKJ-UKRRQHHQSA-N 392.481 2.516 0 40 GFAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cc(COc2ccccc2F)on1 681001108 RZTRYMCBZFOWJY-UHFFFAOYSA-N 381.363 2.931 0 40 GFAB O=C([C@@H]1CCc2ccccc2O1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831219 QMNJNLKMJUEYCK-PMACEKPBSA-N 385.485 2.769 0 40 GFAB CN(C)C(=O)c1ccc(-c2noc(-c3ccnc(OCC(F)(F)F)c3)n2)cn1 547188382 MJVFKVOXYACXFF-UHFFFAOYSA-N 393.325 2.837 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)nc1 1615127006 CORKCPYROJYKPD-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB O=S(=O)(c1ccc(SCCCc2ccccc2)nc1)N1CCOCC1 5229244 DFNCBJQOIBVJRW-UHFFFAOYSA-N 378.519 2.827 0 40 GFAB Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4)nc32)c1 5151608 FSVTUXRXKDQHRZ-UHFFFAOYSA-N 379.807 2.837 0 40 GFAB COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(OC)c1 12121962 KDSNBEBKXBOZEM-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N3CCCN=C3c3ccccc32)cc1OC 12142793 FXSHWKFKNBUHKZ-UHFFFAOYSA-N 394.431 2.735 0 40 GFAB O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 13070592 KALWYFZXXJAQNV-AWEZNQCLSA-N 396.415 2.674 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 16129153 WNYZFFPROAYPAG-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB CCc1nc(-c2cncnc2[C@@H]2CCN(CC(=O)Nc3ccccc3F)C2)no1 19693812 CQPVQWRBVBIHGE-CYBMUJFWSA-N 396.426 2.656 0 40 GFAB Cc1csc2c(C3CCN(C(=O)c4cnc(N(C)C)nc4)CC3)nc(C)n12 12087551 NLPQEHZUMACADY-UHFFFAOYSA-N 384.509 2.888 0 40 GFAB COc1cccc(CNC(=O)c2cc(I)ccc2O)c1 6543298 MNFBVBSDDOZPBS-UHFFFAOYSA-N 383.185 2.935 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1S(=O)(=O)N(C)C 6919683 CEYGYZSKRDRGCX-UHFFFAOYSA-N 388.898 2.700 0 40 GFAB COC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1 1115854610 JWNQUYCSWHEISS-UHFFFAOYSA-N 392.433 2.676 0 40 GFAB O=C1CN(Cc2cn3ccccc3n2)CCN1c1ccnc(C(F)(F)F)c1 1776008569 GZACSZYVJLPVJA-UHFFFAOYSA-N 375.354 2.597 0 40 GFAB O=C([C@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 13696808 GPOMGDLSXFGMOC-LJQANCHMSA-N 386.473 2.697 0 40 GFAB Cc1cc(Cl)cc2sc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc12 13704976 WRPUMXXXHLRMGB-UHFFFAOYSA-N 387.914 2.868 0 40 GFAB O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 41107675 XTJRDNJYDIXZTC-UHFFFAOYSA-N 384.457 2.657 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)o1 40018258 AFXZKKRJLMPAJO-YJWJXRIHSA-N 399.535 2.963 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCC(C)C)cc1 20068865 PBNKJDOSTXEGRM-HOTGVXAUSA-N 375.498 2.517 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)NC[C@H]3COc4ccccc4O3)c(C)n2n1 31040527 MAKMPLLQYPNZES-INIZCTEOSA-N 380.448 2.543 0 40 GFAB Cn1c(S)nnc1C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20385408 CXLDVJNTHSDTMQ-ZETCQYMHSA-N 392.794 2.776 0 40 GFAB O=C(N1CCCC1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 101115039 OEWZSXFKHBVSOT-SCQRFTTHSA-N 379.302 2.959 0 40 GFAB COCCNC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O 4131749 SNSPOJZOVBSTOK-UHFFFAOYSA-N 385.489 2.953 0 40 GFAB COc1ccccc1C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 101874985 YBNWTGWJOUFIGO-KILAXVPQSA-N 385.460 2.896 0 40 GFAB O=C(CSc1ncn[nH]1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 21237321 ZLXGFEAWGXUPIM-UHFFFAOYSA-N 397.416 2.517 0 40 GFAB CC(C)CCn1c(=O)c2c(nc(SCc3ccc(F)cc3)n2C)n(C)c1=O 4910192 GLRLCSHXPTVPIG-UHFFFAOYSA-N 390.484 2.911 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccccn1 6962562 BPABAHAAADVGQU-GZTJUZNOSA-N 387.399 2.551 0 40 GFAB O=C(CCNC(=O)c1ccco1)OCc1cc(=O)oc2cc3c(cc12)CCC3 21452648 RCNKCCZDQXVOCL-UHFFFAOYSA-N 381.384 2.738 0 40 GFAB CCCN(Cc1ccccc1)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 32809243 AKCBKGUMJPXDBH-UHFFFAOYSA-N 389.521 2.895 0 40 GFAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CC2=O 100749017 CIWHWNOFXQKTNT-DHIUTWEWSA-N 398.503 2.845 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1 21603346 WSQOKVKKKBITST-MRXNPFEDSA-N 390.480 2.538 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 10153373 XBWOFHWKUJRCGW-OAHLLOKOSA-N 377.404 2.784 0 40 GFAB CN(C)c1nc(N)nc(COC(=O)C2c3ccccc3Oc3ccccc32)n1 10389442 CZUZUCAUPJVRHE-UHFFFAOYSA-N 377.404 2.501 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)COc2cccc(C(C)C)c2)CC1 46594026 XYTDLBITWXXCOI-UHFFFAOYSA-N 382.526 2.509 0 40 GFAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc2c(c1)OCO2 8315061 IXWFAPUKURCUJO-UHFFFAOYSA-N 391.221 2.889 0 40 GFAB CCCc1c(C(=O)Nc2cccc(N3CCNC3=O)c2)[nH]c(C)c1C(=O)OC 53417883 VZOTVOPZOLGTAK-UHFFFAOYSA-N 384.436 2.844 0 40 GFAB CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 780154 RAVRNUFQDDLPQZ-QHCPKHFHSA-N 395.455 2.982 0 40 GFAB Cn1c(CNc2nc3ccccc3n2CCN2CCOCC2)nc2ccccc21 814089 LFRJTCGGGNNDLK-UHFFFAOYSA-N 390.491 2.867 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 23731839 NIPKDNSDPKSSHB-NRFANRHFSA-N 397.500 2.671 0 40 GFAB C[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1nc2ccccc2[nH]1 12560309 OYBRBLATLULFIL-WBVHZDCISA-N 376.460 2.831 0 40 GFAB Cc1ccc(CN(CCc2ccccc2)Cc2cc(=O)n(C)c(=O)n2C)s1 24294066 RQBLFQSEQQQVHY-UHFFFAOYSA-N 383.517 2.699 0 40 GFAB Cc1nc(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)sc1CC(N)=O 24902413 HSGIJFLGWQPHBD-LLVKDONJSA-N 381.498 2.930 0 40 GFAB CC(=O)NC1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 106639280 AHAGQQABETUDKI-UHFFFAOYSA-N 381.263 2.920 0 40 GFAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)c(C)c1 57472090 XYSCILKYXZTQPQ-UHFFFAOYSA-N 398.459 2.518 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21 57493230 BNIZDHZRPQFBPK-UHFFFAOYSA-N 389.452 2.530 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427469 QZWKGVOFZBCHMB-UHFFFAOYSA-N 391.427 2.952 0 40 GFAB COC(=O)c1cc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc(C(=O)OC)c1 29484498 MHMCNEARFFQPGL-LJQANCHMSA-N 396.443 2.818 0 40 GFAB O=C1CCCN1Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2 26832551 RFKVBQQSSFIYKE-UHFFFAOYSA-N 384.501 2.776 0 40 GFAB Cc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1Br 27981725 PKUGOWJLZJXDLO-UHFFFAOYSA-N 395.276 2.750 0 40 GFAB CNC(=O)c1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 109004234 DVQIBBZPXJIOHZ-UHFFFAOYSA-N 377.488 2.848 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc2c(c1)OCO2 27686916 VFOSHGIIXFGTRD-GFCCVEGCSA-N 377.400 2.562 0 40 GFAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 58213344 ABAYPKIRVMTCAP-CQSZACIVSA-N 377.448 2.521 0 40 GFAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 3321136 ADJAYCFWAOXBLN-UHFFFAOYSA-N 393.443 2.897 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 58415762 MEGGCMJFBJSQIK-QGZVFWFLSA-N 384.480 2.560 0 40 GFAB Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)c1C 28262051 QSDAUNZUDQXCOC-INIZCTEOSA-N 386.448 2.805 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 10833897 KDNUOQSNDQSERK-AWEZNQCLSA-N 396.896 2.869 0 40 GFAB COc1cc([C@@H](C)NCc2cn(C)nc2-c2cccnc2)ccc1OCCO 48275595 IDCXKYOMDKBFGX-OAHLLOKOSA-N 382.464 2.713 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1OC 3449777 TZIUMWOINRJGIR-UHFFFAOYSA-N 389.452 2.677 0 40 GFAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 3500726 GQBXFNPJQRPYNF-CYBMUJFWSA-N 397.460 2.993 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccc(Cl)cc1 3592720 XNYMWPXZEVTVES-UHFFFAOYSA-N 377.872 2.644 0 40 GFAB CC(C)[C@H](CNS(=O)(=O)c1ccccc1-c1ccccc1)N1CCOCC1 12971291 YXQBUMRHKZXLOY-FQEVSTJZSA-N 388.533 2.989 0 40 GFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC2CCCC2)cc1 12973178 MDDUOAFKGPCJFU-UHFFFAOYSA-N 388.276 2.760 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccccc1 3600778 ZWUPFQOURWCHBR-OYHNWAKOSA-N 377.444 2.647 0 40 GFAB Cc1ccc(N2C(=S)N(c3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 3643087 HVCDMSFKDOPKMG-IAGOWNOFSA-N 376.478 2.911 0 40 GFAB CC[C@@H]1CCCCN1CC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)OC 4064614 FKCDQXJINAXMSS-QRWLVFNGSA-N 383.492 2.859 0 40 GFAB biogenic CCOC(=O)c1oc2ccccc2c1COC(=O)C[C@H]1C=CS(=O)(=O)C1 8547894 SSLJQIOBHHEGDH-GFCCVEGCSA-N 378.402 2.601 0 40 GFAB O=C1NC(=O)/C(=C\c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)cc2)S1 5346171 IGALEVPFPMTEFZ-VGOFMYFVSA-N 384.369 2.667 0 40 GFAB CCc1nn2c(=O)cc(CSc3nc(-c4cccs4)n[nH]3)nc2s1 5321331 DBSPQWHSVRVUDS-UHFFFAOYSA-N 376.492 2.852 0 40 GFAB CC(=O)NCCNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 14187596 AHXAJVPEVZWQDF-UHFFFAOYSA-N 390.896 2.974 0 40 GFAB O=C([C@@H](Sc1nnnn1C1CCCCC1)c1ccccc1)N1CCOCC1 14245450 YPBOYPLTMVSRBF-KRWDZBQOSA-N 387.509 2.871 0 40 GFAB Cc1cc(C)c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c(C)c1 22386749 IJVJNARXXPSXJE-UHFFFAOYSA-N 390.461 2.745 0 40 GFAB O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)N1CCCC1 4723991 QQNMUVPFIDVWBG-UHFFFAOYSA-N 383.271 2.654 0 40 GFAB COc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)c1 6752891 GEOWXCREVVPKGZ-HXUWFJFHSA-N 379.416 2.719 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NC[C@@H]1CCCO1 27936403 CYXRISRSWRLWBC-BDAKNGLRSA-N 384.196 2.829 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C(C)C 4999148 DTCWXTJJNBGZOU-UHFFFAOYSA-N 389.477 2.810 0 40 GFAB CCn1c(SC[C@@H]2CC2(Cl)Cl)nc2cc(S(N)(=O)=O)ccc21 6977276 GIBGWFSXBUUQRF-QMMMGPOBSA-N 380.322 2.990 0 40 GFAB C[C@@H](NC(=O)COc1ccc(-n2cnnn2)cc1)C12CC3CC(CC(C3)C1)C2 5975702 CZNNWSWQYPNEOE-LFPRZYRFSA-N 381.480 2.762 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 67285924 UILBXROCJFXWAE-QGZVFWFLSA-N 379.407 2.622 0 40 GFAB NC(=O)C1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)CC1 67288128 SQZFNTDLPNDASR-UHFFFAOYSA-N 384.455 2.702 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 408608750 SBYNSCLFWSNMAQ-LBPRGKRZSA-N 380.491 2.723 0 40 GFAB COCCN1CCC[C@]2(CN(Cc3ccc(O)c(F)c3)CC(F)(F)C2)C1=O 306133873 MYFMASCQMTWDPY-SFHVURJKSA-N 386.414 2.628 0 40 GFAB O=C1C[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)CN1Cc1ccco1 7735565 SLGOVLKFDYSJKG-IBGZPJMESA-N 390.443 2.647 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccnn1[C@@H](C)C1CC1)C2=O 7980254 JJXOWZXIXMHFPK-LTQQYIGLSA-N 387.484 2.683 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1F 9225984 QQQOLYFODFHADM-UHFFFAOYSA-N 392.452 2.936 0 40 GFAB Cc1ccc(N2C(=O)N(CN3CCN(Cc4ccsc4)CC3)C(=O)[C@H]2C)cc1 96191553 AVEFLYDSLVTUEN-QGZVFWFLSA-N 398.532 2.989 0 40 GFAB O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@]2(O)CCCC[C@H]2C1 95421495 VISKTPKFJIXYHX-UGSOOPFHSA-N 396.281 2.988 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 95475120 KELTUZLKSSDLKZ-QGZVFWFLSA-N 396.491 2.550 0 40 GFAB Cc1cn2c(=O)c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)nc2s1 20922095 GCWROIJZRPXWBF-UHFFFAOYSA-N 387.845 2.966 0 40 GFAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408700668 JXEIFLATKRTMCX-MRXNPFEDSA-N 382.526 2.746 0 40 GFAB CCOc1ccc2cc(CNc3ccc(-n4cnnn4)c(OC)c3)c(=O)[nH]c2c1 72389361 ZUXDWMSOKQIMTB-UHFFFAOYSA-N 392.419 2.523 0 40 GFAB CCCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 72369610 MEJFEXXCGVOCCB-QGZVFWFLSA-N 399.539 2.919 0 40 GFAB CN(C)c1nccc([C@@H]2CN(C(=O)NC3CCc4ccccc4CC3)CCO2)n1 562677459 WBYJZPFOIKVWKN-FQEVSTJZSA-N 395.507 2.573 0 40 GFAB C[C@@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)n1ccnc1 563263190 WRAFKIHNKCBKMJ-YOEHRIQHSA-N 384.436 2.552 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 222746310 LNAARNJQAJDNSB-UHFFFAOYSA-N 394.474 2.954 0 40 GFAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2ccc(Cl)cc2)no1 49407675 OHFNIXBDKYXAQM-UHFFFAOYSA-N 380.791 2.751 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 222840766 UNMMPSQRNMSLSN-UHFFFAOYSA-N 376.478 2.712 0 40 GFAB O=C(CCNc1ncccn1)NCCn1ccc2cc(Br)ccc21 95475840 YBHJXFHKIMYIMQ-UHFFFAOYSA-N 388.269 2.812 0 40 GFAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4cccc(F)c4)C[C@@H]32)C(=O)N1CC 96261609 RFUXPNGSLXACCF-LDBYXDLTSA-N 386.471 2.787 0 40 GFAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 247901085 VYFNLSOTTJZBNN-HNNXBMFYSA-N 375.494 2.737 0 40 GFAB CNC(=O)[C@@H]1CN(C(C)C)CCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257208327 BLSDKNJELNRRRG-NRFANRHFSA-N 395.503 2.692 0 40 GFAB CC(C)c1nc2ccccc2n1CC(=O)N(C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257257238 KORFGEYXNCTMPP-SFHLNBCPSA-N 395.507 2.969 0 40 GFAB CO[C@@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@]12CCCO2 257215288 CPMCCBSXOJXFFU-NVXWUHKLSA-N 383.286 2.658 0 40 GFAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4cc(C)ncn4)C3)ccc2c1N 257214494 CMEPCIGZXJXVRJ-FQEVSTJZSA-N 396.520 2.895 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 260763786 GESJJEJZSMTRDB-MRXNPFEDSA-N 390.505 2.810 0 40 GFAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)C1(n2cnnn2)CCCCC1 629620436 WJDKEUSLPSIADY-UHFFFAOYSA-N 390.850 2.965 0 40 GFAB CC(C)C[C@H](NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1)c1cccs1 644327080 FWNUDWWNUANMAV-HNAYVOBHSA-N 381.542 2.850 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2CCOC[C@@H]2c2cccc(F)c2)c1C(F)F 657171766 XPSHYLSUICEEDX-CYBMUJFWSA-N 389.399 2.567 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)s1 96366931 NUYHQYXSQVSPGH-AWEZNQCLSA-N 399.559 2.938 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340614 VRBYXSAGFFPQHS-UHFFFAOYSA-N 393.362 2.937 0 40 GFAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1=O 585106898 KUBNXZCEOFYFPN-VGSWGCGISA-N 384.426 2.982 0 40 GFAB O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCN(c2ccc(Cl)cc2Cl)CC1 662636300 PRTDDFUYBAARTH-LBPRGKRZSA-N 394.306 2.756 0 40 GFAB Cc1cccc(CN2CC3(C2)OCC[C@H]3CCNC(=O)C2CC(F)(F)C2)n1 585102790 HUSLGIDTYIFMTC-MRXNPFEDSA-N 379.451 2.533 0 40 GFAB COCCN1C(=O)[C@@H](Oc2cccc(OC)c2)[C@@H]1c1ccc(OC)c(OC)c1 58155027 ZSSVKVDGDCABAU-PMACEKPBSA-N 387.432 2.690 0 40 GFAB CC(C)n1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 1615155228 INHOMGUFPYIZKS-JOCHJYFZSA-N 396.491 2.892 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N(C(=O)CC)[C@H]1c1cc(OC)ccc1OC 5416854 PGARITWDARJYGF-KRWDZBQOSA-N 392.477 2.709 0 40 GFAB Cc1nn(CC(=O)N2CCc3ccccc3C2)c(=O)c2cc3sccc3n12 12115247 MCYCZWMIUZNYLI-UHFFFAOYSA-N 378.457 2.604 0 40 GFAB COc1ccc(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)s1 12329346 UTXLTVZSYXJVFQ-UHFFFAOYSA-N 386.433 2.927 0 40 GFAB O=C(C1CC1)N1C[C@H]2CCCN(S(=O)(=O)c3cccc4ccccc34)[C@H]2C1 13267694 CINPYIAAOFYGSI-MJGOQNOKSA-N 384.501 2.861 0 40 GFAB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715372 LCWTYCXIEAWMEB-GOSISDBHSA-N 378.469 2.995 0 40 GFAB COCCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1 13850734 OTCJKGLKGNNWFB-UHFFFAOYSA-N 390.505 2.718 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC 14291911 OCQNDDKGMKUJSQ-CQSZACIVSA-N 376.478 2.875 0 40 GFAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@H](C)n3ccnc3)n2)cc1 19211117 YBMAQKSZFKPEQM-ZDUSSCGKSA-N 390.490 2.822 0 40 GFAB O=C(c1cc[nH]n1)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19695727 ABMUZLDTSSPRAD-LJQANCHMSA-N 378.476 2.867 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 12187668 IRFUPGDHIHRSKU-UONOGXRCSA-N 397.410 2.839 0 40 GFAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 12227656 XHAMJWABBDPEEX-ZFWWWQNUSA-N 375.519 2.924 0 40 GFAB O=C(c1ccncc1F)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889125151 SDCMCKSTDJJBRP-XHDPSFHLSA-N 380.345 2.985 0 40 GFAB C[C@H](C(=O)Nc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1)n1cncn1 25298110 XVNAYUVVEXZABW-GFCCVEGCSA-N 375.392 2.606 0 40 GFAB CCOc1nccn2c(CNC(=O)c3csc(-c4ccccc4)n3)nnc12 245171726 XSEBFDQRDKCLMI-UHFFFAOYSA-N 380.433 2.577 0 40 GFAB Cc1cnc(NC(=O)CN2CCC[C@@](O)(COc3ccccc3)CC2)s1 2037916032 JDQRSTYEZGDAJE-IBGZPJMESA-N 375.494 2.686 0 40 GFAB COc1ccc(CN2CCC[C@]3(CC(C(=O)NC4CC(F)(F)C4)=NO3)C2)cc1 2056225933 FRORRVMUEIOSFS-IBGZPJMESA-N 393.434 2.720 0 40 GFAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc2c(c1)OCO2 1615102087 MBOZSPVLBMMHBO-HXUWFJFHSA-N 391.427 2.704 0 40 GFAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1 4354226 PIVUONGDWVKRIO-UHFFFAOYSA-N 383.429 2.983 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)c(C)n23)n(C)c1=O 5251798 BRXYDMMDKRZFGA-UHFFFAOYSA-N 379.464 2.782 0 40 GFAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccs1 6864861 RHSCBLHUFBJOAZ-CQSZACIVSA-N 384.486 2.513 0 40 GFAB CSc1nc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2s1 13789858 IOSFNOYSKNKQSM-SNVBAGLBSA-N 385.536 2.628 0 40 GFAB O=C1CN(C2CCN(c3ccnc(C4CC4)n3)CC2)C(=O)N1c1ccccc1 2298063155 ZVGNBNSGVGKVMM-UHFFFAOYSA-N 377.448 2.792 0 40 GFAB O=C(CCCn1cncn1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294289 LKCXFBPVTSJHSU-ZVDOUQERSA-N 385.487 2.724 0 40 GFAB O=S(=O)(c1ccccc1Cl)N1CCN(CCOc2ccc(F)cc2)CC1 24060974 CBKRXOZGGLAZLM-UHFFFAOYSA-N 398.887 2.864 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1F 25580415 HESONMAKJMZCPU-UHFFFAOYSA-N 384.386 2.823 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2=O)cc1 31353108 FVQOZAOWXCTHKL-UHFFFAOYSA-N 380.444 2.947 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCO[C@@H](C)C4)c(=O)c23)cc1C 11539068 QCTCAXFRPJOWDU-HNNXBMFYSA-N 397.500 2.989 0 40 GFAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1C[C@@H](C)O[C@H](C)C1 36866227 ZFCPPABPIOZQBF-PIAVMRRTSA-N 376.541 2.979 0 40 GFAB C[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101340873 PVCNRBFQNXVZPS-YTQUADARSA-N 395.503 2.585 0 40 GFAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(OC)n1 101518397 MVLPGZZHCPFMFV-GOSISDBHSA-N 384.524 2.732 0 40 GFAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 4237238 CLHCHQWGWNJZDM-DOTOQJQBSA-N 378.476 2.831 0 40 GFAB biogenic,in-vitro Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)c(C)c1C 102271536 DQKAGSJVHMJXRV-CALCHBBNSA-N 385.460 2.821 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)N1c3ccccc3CC[C@H]1C)C[C@H]2O 46514366 XVRQKMYMAZALPJ-DNVCBOLYSA-N 396.487 2.921 0 40 GFAB CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17079377 LVJZDTHYGOXBFQ-GASCZTMLSA-N 388.555 2.895 0 40 GFAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccnc1 8283186 GKVZSFDVOBQTPH-UHFFFAOYSA-N 376.445 2.938 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC2CCN(c3ccc(F)cc3)CC2)c1 53672252 CBJMERAUCAZBGT-UHFFFAOYSA-N 394.468 2.790 0 40 GFAB CCOC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OCC)cc2oc(=O)cc(C)c12 715416 GMPBVNFEZAJVTB-OLZOCXBDSA-N 392.404 2.762 0 40 GFAB biogenic CCOC(=O)[C@@H]1CCCN(c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)n2)C1 12397021 CXBZDVHMIBWCJB-GFCCVEGCSA-N 397.401 2.984 0 40 GFAB Cc1ccc(C(=O)COC(=O)Cn2cnc3c(oc4ccccc43)c2=O)s1 23328590 ACRUGCRPEYLIQZ-UHFFFAOYSA-N 382.397 2.939 0 40 GFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cccn2)cc1 23846208 WTHRJDJGFPIRTG-OAQYLSRUSA-N 376.460 2.676 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(-c2ccc(F)cc2)o1 24716284 NJWQYNYIRFHUDG-UHFFFAOYSA-N 385.395 2.567 0 40 GFAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 47704846 LKHVXEXCTIGAKH-HNNXBMFYSA-N 385.430 2.512 0 40 GFAB COc1ccc(CN(C(=O)CN2CCN(c3ccc(O)cc3)CC2)C2CC2)cc1 57281436 OZRMAVXZEZAEIB-UHFFFAOYSA-N 395.503 2.714 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 20041133 ZWEHAAWMRNVVJU-UHFFFAOYSA-N 384.860 2.904 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1OC(C)=O 27017753 HCIBBRJRBHEQCA-KRWDZBQOSA-N 388.445 2.825 0 40 GFAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)C1=COCCO1 3238580 QCWDKRCJGJLZKM-UHFFFAOYSA-N 381.428 2.689 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 20024412 BPYXYWIUQCPVOR-HNNXBMFYSA-N 390.505 2.756 0 40 GFAB Nc1nc(CSc2nnnn2Cc2cccs2)nc(Nc2ccccc2)n1 9711936 JVFRATNFKGAKNA-UHFFFAOYSA-N 397.493 2.586 0 40 GFAB Cc1ccc(CCNC(=O)NCc2ccccc2NS(C)(=O)=O)c(C)c1 58292696 PUYFIESXWKHUKC-UHFFFAOYSA-N 375.494 2.717 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c12 2116796 OEPKVZWLXDZGPW-AWEZNQCLSA-N 375.421 2.576 0 40 GFAB biogenic COc1ccc(CNC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1 3309865 RRRNCUOKKIMFBZ-UHFFFAOYSA-N 389.415 2.519 0 40 GFAB Cc1noc(CCNC(=O)Cn2c(C)c(Br)c3ccccc32)n1 58429573 VKENCGVZRCHVCK-UHFFFAOYSA-N 377.242 2.763 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCCO3)cc1 10657350 GXXXECGSRYXUHL-UHFFFAOYSA-N 391.401 2.550 0 40 GFAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1cccc(NS(C)(=O)=O)c1 36394175 FRBADBCARFDOJF-GFCCVEGCSA-N 382.869 2.968 0 40 GFAB CN(CC(=O)n1cccc/c1=N\C1CCCCC1)S(=O)(=O)c1cccs1 10815002 BGMPHZHLGDTOGI-KNTRCKAVSA-N 393.534 2.744 0 40 GFAB Cc1ccc([C@H](CNC(=O)CCc2c(C)noc2Cl)N2CCOCC2)o1 48303521 HTSYOJHYUKNHIR-HNNXBMFYSA-N 381.860 2.660 0 40 GFAB CN(CCOc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 12808649 HUELEODTXPJBTC-UHFFFAOYSA-N 384.407 2.739 0 40 GFAB NC(=O)CCc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)n1C1CC1 12895704 COENUFCBCKMCTQ-UHFFFAOYSA-N 394.884 2.748 0 40 GFAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CCCC1 3537436 CWDFSMVYSBBXOM-HSZRJFAPSA-N 391.471 2.735 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1 12993643 YZXXTHLNTGFCCN-UHFFFAOYSA-N 393.534 2.734 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4183798 ONSSMENOOLOIFH-CKEIUWERSA-N 382.313 2.930 0 40 GFAB CCOC(=O)c1cnn(-c2nc(-c3ccccc3)nc3c2COC(C)(C)C3)c1N 4295868 TXSYXYMNABCSCO-UHFFFAOYSA-N 393.447 2.940 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NCCC1=CCCCC1)O2 64988613 WVNUQIPQEAQLOF-LJQANCHMSA-N 392.521 2.919 0 40 GFAB CCOc1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 22378017 NRNQEPFEHZRJJL-UHFFFAOYSA-N 376.478 2.510 0 40 GFAB O=C(COC(=O)c1cc2ccccc2cc1O)NC(=O)NCc1ccccc1 6122347 YTQPDMJXTWSCAK-UHFFFAOYSA-N 378.384 2.728 0 40 GFAB CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCCC(=O)O 5244329 IKKAIHAASCJKLA-KRWDZBQOSA-N 393.871 2.567 0 40 GFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1cc2c(s1)CCC2 4462436 DCPKIZQCXUPAHG-UHFFFAOYSA-N 390.436 2.630 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1C 6415692 YOKNDGRAXUBYDL-UHFFFAOYSA-N 382.507 2.826 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc2ccccc2c1 14129563 IBVGPJZPTNRDNL-RDTXWAMCSA-N 397.504 2.975 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 8710012 WEIOCAAMYKSNGK-ZFWWWQNUSA-N 388.493 2.665 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)Nc1nc2ccccc2[nH]1 6578490 KHALZXNBAWJSLW-UHFFFAOYSA-N 396.831 2.663 0 40 GFAB COc1cc(C(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)cc(OC)c1OC 6648668 OGGGBGYCWAEGNI-UHFFFAOYSA-N 384.388 2.785 0 40 GFAB Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)N1CCCC1 6757709 QMJANPXZGOJJSF-UHFFFAOYSA-N 390.490 2.561 0 40 GFAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)NC(=O)NCc1ccco1 4890175 ZIONNGVLQAVYMM-UHFFFAOYSA-N 395.415 2.823 0 40 GFAB CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)s1 8984193 YYMMKHHJHAZQOW-UHFFFAOYSA-N 393.490 2.743 0 40 GFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)/C=C/c1cccs1 7553933 QLGRRHNBZPDHQJ-CMDGGOBGSA-N 376.409 2.541 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc3c(c2)OCO3)ccc1C 7814817 XBUAJUFOECAKEP-UHFFFAOYSA-N 391.445 2.973 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)c1 408625393 SLVBZXGGWZKJLB-NSHDSACASA-N 398.868 2.663 0 40 GFAB CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 16639969 JDTPCCHRXCRVEK-UHFFFAOYSA-N 390.461 2.789 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 19857116 QHCINRWQWLQRTM-KRWDZBQOSA-N 388.489 2.876 0 40 GFAB CCOC(=O)c1cnc2ccccc2c1N1CCCN(c2ncccn2)CC1 84798682 UXBGRPASPOYJMB-UHFFFAOYSA-N 377.448 2.918 0 40 GFAB CC(C)(C)C(=O)NCCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O 95425466 JQPSQPIZZKBZJI-SFHVURJKSA-N 384.476 2.752 0 40 GFAB CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1C 95945401 VIIJXHBCQMMQTH-UHFFFAOYSA-N 386.470 2.542 0 40 GFAB COc1cccc(OCCNS(=O)(=O)c2ccc(Br)s2)c1 26836572 SJTYBZFFHLDZBS-UHFFFAOYSA-N 392.296 2.877 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 408624311 GSNYPMRLQLAHDH-OAHLLOKOSA-N 378.469 2.729 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 20014842 XGVDABHBXLLMJT-CQSZACIVSA-N 394.468 2.722 0 40 GFAB c1cncc(-c2ccc3c([C@@H]4CN(Cc5nccs5)CCO4)nnn3c2)c1 306142913 XOBKJFPFEGKGTJ-KRWDZBQOSA-N 378.461 2.821 0 40 GFAB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCC(=O)O 409041693 JFCHXMYMEHFWTN-GDNBJRDFSA-N 398.440 2.763 0 40 GFAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCCc1nc2ccccc2[nH]1 524735274 NKXGRLMPAVYRKJ-UHFFFAOYSA-N 381.484 2.639 0 40 GFAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(C(=O)Cn1cnc3ccccc31)C2 72380774 SQSYPYOVNVQHNX-UHFFFAOYSA-N 399.458 2.858 0 40 GFAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 210852577 OLFIKAPDMCFWAL-FOWTUZBSSA-N 388.489 2.879 0 40 GFAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(F)cc1 35572365 HYUVOMVUFWRCKN-IBGZPJMESA-N 398.434 2.744 0 40 GFAB CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)N2CCCCC2)C1=O 72343095 LPRAXCUGEGUTBJ-UTKZUKDTSA-N 398.459 2.878 0 40 GFAB COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)c1 41254107 WGIFCLWRRDRBTC-UHFFFAOYSA-N 399.397 2.904 0 40 GFAB Cn1cc(C(=O)N2CCC(c3cncc(Oc4ccccc4)n3)CC2)ccc1=O 72362956 BWNDDUYGYLBALG-UHFFFAOYSA-N 390.443 2.987 0 40 GFAB CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1NC(C)=O 225207494 DZPXCCZFRPQGJR-UHFFFAOYSA-N 391.474 2.514 0 40 GFAB CN(CCOc1ccc(C(F)(F)F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 569223257 XHLYWBARPLSNSQ-OALUTQOASA-N 382.426 2.947 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 224041688 ACVYERGVNXPWMM-INIZCTEOSA-N 384.476 2.800 0 40 GFAB CCOc1cc([C@H](N)c2n[nH]c(COc3ccc(OC)cc3)n2)ccc1OC 95534402 IKPKYZBLTCHLKH-IBGZPJMESA-N 384.436 2.848 0 40 GFAB N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CCOc2c(F)cccc21 579128796 NZNXKICWFKDSHF-PMACEKPBSA-N 394.450 2.580 0 40 GFAB CC[C@H](C(=O)N1CCC(NC(=O)C2(C(=O)O)CCCC2)CC1)c1ccccc1 579963766 BSDQKNKUNZIROZ-SFHVURJKSA-N 386.492 2.932 0 40 GFAB Cc1ccccc1CN1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96251929 DXVVGYLDPLPEMG-RBUKOAKNSA-N 398.532 2.503 0 40 GFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248259026 PTNGMKDWGZALSA-UVELEOGVSA-N 399.535 2.789 0 40 GFAB COc1ccc(OCC(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 257247910 JBCYVRPVIYSORU-SHTZXODSSA-N 395.463 2.831 0 40 GFAB O=C(CN1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1)N1CCCCC1 257248047 JBUHTYMXDKXEMV-GOSISDBHSA-N 399.470 2.745 0 40 GFAB COc1cccc(C[C@]2(C(=O)N[C@@H](C)c3nnc(O)n3C)C[C@H]3CC[C@H]2C3)c1 640582671 HTJAWSAIDCVGFS-CBYWYSCWSA-N 384.480 2.756 0 40 GFAB C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)c1nnnn1-c1ccccc1 1615551628 MDKJQEMGBJIBDK-XYJFISCASA-N 384.484 2.714 0 40 GFAB O=C(N[C@@H]1CCN(C2CC2)C1)c1cnn(-c2ccc(Br)cc2)c1 58172291 AZROHLKGZWVLKS-CQSZACIVSA-N 375.270 2.601 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)c(OC)cc2OC)SC1=S 8106609 IXXAYTUPUUJDAJ-XGICHPGQSA-N 387.866 2.731 0 40 GFAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@H](C)COC 11118389 QNPDXYVZSWNWCY-CQSZACIVSA-N 388.489 2.576 0 40 GFAB COc1ccc2[nH]c(C)c(C(=O)CN3CCC(O)(Cn4ccnc4C)CC3)c2c1 12143468 JJAYWBIJLIIOBT-UHFFFAOYSA-N 396.491 2.700 0 40 GFAB COc1ccc(OC)c(CN(Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)c1 12187486 LNFWUSMYJWUEIK-IBGZPJMESA-N 386.496 2.741 0 40 GFAB CN(Cc1cccc2ncccc12)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C 12239512 DIJFYZWKQFVYNC-UHFFFAOYSA-N 399.497 2.969 0 40 GFAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1N1CCCCC1 12554995 WRSBXUPSLODUFR-UHFFFAOYSA-N 380.492 2.846 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(OC)cc1 13555030 UKXUAQJQENTZMU-JHVJFLLYSA-N 395.503 2.879 0 40 GFAB CC(C)(CN1CCOCC1)CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 19084964 FXIIEILIRAJEMW-RLAPIPATSA-N 376.516 2.999 0 40 GFAB COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO 19559336 JQYCNBUKEWPHIF-MRXNPFEDSA-N 399.520 2.815 0 40 GFAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 19565116 LGBURAPANSMIAJ-QGZVFWFLSA-N 399.491 2.660 0 40 GFAB COc1ccnc(C[S@@](=O)[C@@H]2Nc3ccc(OC(F)F)cc3N2)c1OC 5115805 MTYWFNZUFLIARL-DXPJPUQTSA-N 385.392 2.770 0 40 GFAB in-vitro CC(C)n1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 3480721 CNTDFVFIXKROCR-UHFFFAOYSA-N 376.460 2.940 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888987331 RSNUZXWNTBENMK-QGZVFWFLSA-N 391.880 2.846 0 40 GFAB CCCCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 22703714 OONJGDWUJBXMCR-RDJZCZTQSA-N 382.526 2.843 0 40 GFAB Cc1nc2ncnn2c(N2CC[C@@H](Oc3ccncc3Br)C2)c1C 1776009378 XWVJNDCMOCGSQK-GFCCVEGCSA-N 389.257 2.556 0 40 GFAB O=C(c1ccc(I)cc1)N1CCN(c2nccs2)CC1 12755270 CROAHWAATQMYQU-UHFFFAOYSA-N 399.257 2.710 0 40 GFAB COc1ccccc1-c1ccc2nnc(SCC(=O)Nc3nccs3)n2n1 4376610 VEJBHIJFVLXVJV-UHFFFAOYSA-N 398.473 2.987 0 40 GFAB CNC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 4496249 GRYWTBNHBBQZDT-UHFFFAOYSA-N 386.882 2.564 0 40 GFAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccccc2Cl)n1 4853489 IVOUVSABJGSQDP-UHFFFAOYSA-N 399.882 2.632 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1 8899481 WFEWWQRKTOZLJY-SFHVURJKSA-N 393.534 2.822 0 40 GFAB Cc1ccc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)cc1 2055708107 JOWMJMGNYBMMTO-UHFFFAOYSA-N 380.414 2.861 0 40 GFAB O=C(Cn1nc(C2CC2)cc1C(=O)N1CCCC1)NCc1cccc(Cl)c1 49420849 QOWVMLBEUTUEAW-UHFFFAOYSA-N 386.883 2.966 0 40 GFAB Cn1cc(-c2cc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)ccn2)cn1 575618905 QYCJWMLHGASVDZ-UHFFFAOYSA-N 382.489 2.839 0 40 GFAB COc1cccc2sc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc12 2298063139 ILPRGBVHXMSRHC-UHFFFAOYSA-N 386.477 2.700 0 40 GFAB O=S1(=O)N=C(N2CCC(COc3ccncc3Cl)CC2)c2ccccc21 2298067096 FSYVVPXAKXLJKI-UHFFFAOYSA-N 391.880 2.975 0 40 GFAB C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1)C(=O)O 37018989 QJFHERGCUIHEAR-KAMYIIQDSA-N 396.399 2.760 0 40 GFAB Cc1csc(=O)n1CCC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 40145501 XUECDWYJPPAZOG-OKILXGFUSA-N 393.484 3.000 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100790123 PBEOQKTUWUYVGP-QAJFTPDKSA-N 381.407 2.714 0 40 GFAB O=S(=O)(C1=CC=C[C@@H]2N=S=N[C@H]12)N1CCC(Cc2ccccc2)CC1 101409255 JNCXUUWFQVPTDV-WMZOPIPTSA-N 375.519 2.925 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)n1cnc2ccccc21 32914442 ZGAPKVOKTGJGQQ-LLVKDONJSA-N 376.413 2.747 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCCCC(=O)NCc1ccccc1 10383274 GQWJWRNZRNAEBQ-UHFFFAOYSA-N 396.896 2.724 0 40 GFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102654536 XZDJTLCFDWBOEW-WBMJQRKESA-N 375.494 2.547 0 40 GFAB Cc1ccnn1CCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C 2794435 FMVYUWZZMXXFRL-UHFFFAOYSA-N 377.798 2.965 0 40 GFAB CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 780157 KQPBWWABHSESEQ-JOCHJYFZSA-N 381.428 2.674 0 40 GFAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C/C=C/c2ccccc2)CC1 22935156 WKDBIWMETNCZKV-CDVVCGDMSA-N 398.532 2.505 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 23042347 JBKJGQBWJCVMOK-HOCLYGCPSA-N 382.482 2.517 0 40 GFAB Cn1cc(-c2nc(C(=O)NCC(=O)Nc3ccc(Cl)cc3)cs2)cn1 54171353 CVQMUCDBHOMXOP-UHFFFAOYSA-N 375.841 2.566 0 40 GFAB O=C(NCc1cccnc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195416 WAEPUXMMORVHQD-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1ccnn1C1CCCC1 22790252 XTEIGSMMBUYZTF-UHFFFAOYSA-N 385.487 2.894 0 40 GFAB O=C(c1ccc(O)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24177784 KMJLWTYSFJTQNJ-UHFFFAOYSA-N 388.851 2.775 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N[C@@H](C)c2ccccc2)cc1 28209425 JVXZZUXIHIZLCJ-YJBOKZPZSA-N 386.473 2.552 0 40 GFAB O=C1C[C@H](Cc2ccc(NC(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2)C(=O)N1 175975457 BMHNSPNYLCUTLE-OALUTQOASA-N 391.471 2.988 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3ccsc3)N(C)C)CC2=O)c1 25332376 XTQVTWQQDOECBN-YJBOKZPZSA-N 387.505 2.529 0 40 GFAB COCCn1nc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccc1=O 25619077 WCZZYHGIZOOYIB-SFHVURJKSA-N 387.436 2.610 0 40 GFAB COCCC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100159003 CPQALDZHZSBNIG-TXEJJXNPSA-N 385.390 2.570 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccncc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769434 BEXVETYCCBHPJU-HXUWFJFHSA-N 395.463 2.851 0 40 GFAB COc1cc(CNC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O 58179460 PQNLAFQHALSLCT-GJZGRUSLSA-N 379.501 2.577 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nnn(-c2ccccc2)c1C 10271990 QJIOSWLLLWEYGP-UHFFFAOYSA-N 396.403 2.632 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(OC)ccc3OC)ccc21 64946797 GRYUKMYWZBSRSP-UHFFFAOYSA-N 394.474 2.901 0 40 GFAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O 28284111 LPCHICKFFYTCDW-UONOGXRCSA-N 386.429 2.529 0 40 GFAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c2c1 36353981 OQFYKPKKUCEUSB-YVEFUNNKSA-N 387.436 2.685 0 40 GFAB Cc1cc(=O)n2nc(Oc3cccc(I)c3)sc2n1 36392900 ZRJLKXKVHMHMNE-UHFFFAOYSA-N 385.186 2.856 0 40 GFAB COC(=O)c1cc(NC(=O)CNc2ccc(F)c(F)c2F)cc(C(=O)OC)c1 11041286 PXGZLMLGPHLMKU-UHFFFAOYSA-N 396.321 2.728 0 40 GFAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(F)cc1 2484765 ARCVFFDWLVNARX-INIZCTEOSA-N 378.425 2.666 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 28994458 XOFSHDMBSTYXMI-SFHVURJKSA-N 379.526 2.820 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)c(C)n1Cc1ccco1 3341856 WPYWEQLURCVUGJ-AWEZNQCLSA-N 398.415 2.884 0 40 GFAB Cc1nc2cc(F)cc(C(=O)NCc3cccnc3-n3cccn3)c2nc1C 48235704 BKMOZZYSPYTHNP-UHFFFAOYSA-N 376.395 2.896 0 40 GFAB CCc1cccc(CC)c1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 5021438 KDMVMPGCTGFUQX-UHFFFAOYSA-N 381.436 2.661 0 40 GFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 17333431 JRVRIISCHFJSFN-LBPRGKRZSA-N 390.461 2.628 0 40 GFAB C[C@H]1Sc2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2NC1=O 5264096 FQFNIJADPGEBML-LLVKDONJSA-N 394.456 2.628 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccc(OC[C@H]2CCCO2)cc1 69633269 VQWMFCHHJWHGSN-GOSISDBHSA-N 394.435 2.542 0 40 GFAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NC[C@@H]1CCCO1 5333656 SUZICROYWXANJK-ZDUSSCGKSA-N 376.457 2.806 0 40 GFAB Nc1cc(N)nc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 6533390 SGHUACDSCUGDBQ-UHFFFAOYSA-N 379.489 2.962 0 40 GFAB COc1ccc(CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 8778198 QITPWWNZPQEYJA-UHFFFAOYSA-N 375.450 2.539 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(-n2cnnn2)c1 6881107 UGEPCFOBNGNNOB-QGZVFWFLSA-N 398.854 2.709 0 40 GFAB CCC(CC)NC(=O)COC(=O)CSc1nnc(-c2cccs2)n1CC 7007571 VCSQMJLGSZIILH-UHFFFAOYSA-N 396.538 2.967 0 40 GFAB COc1cc(CN(C)S(=O)(=O)c2c(C)noc2C)ccc1OC(F)F 16083262 ZDPRYCXVTQTXSM-UHFFFAOYSA-N 376.381 2.722 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 7778480 WKLBYEZORFDSBF-SKDRFNHKSA-N 393.793 2.925 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)n(C)n1 96005094 QOERFSLRVXAAOG-INIZCTEOSA-N 390.509 2.590 0 40 GFAB COCCn1cc(CC(=O)N[C@H](C)c2nnc3ccccn23)c2ccccc21 95480962 IBXQAFUCOLFGHD-OAHLLOKOSA-N 377.448 2.750 0 40 GFAB O=C(O)COc1cccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 95424353 FAGXYMCQRDPPAO-KRWDZBQOSA-N 383.400 2.899 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CNc1cc(Cl)ccc1C(=O)N1CCCC1 79017420 LHIQZYCSLFMHHR-UHFFFAOYSA-N 389.887 2.977 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1 79061404 KXLGSBPFRVHPNN-UHFFFAOYSA-N 375.431 2.793 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)c2nc(C)oc2C)CC1 552082485 TVCQCFINROJCHQ-UHFFFAOYSA-N 383.408 2.514 0 40 GFAB COc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1OC 408622338 VTLJBEIWWXFKRK-UHFFFAOYSA-N 398.525 2.699 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)cc1 31154913 LXKJWHYWUSIRBG-FQEVSTJZSA-N 388.471 2.909 0 40 GFAB COc1cccc(Oc2cc(C)nc([C@H]3CCN(C(=O)c4cnn(C)c4)C3)n2)c1 72384307 QKZXWLUZYYMAMT-HNNXBMFYSA-N 393.447 2.949 0 40 GFAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NC(C)C)cc1 217417380 ONXKZMQLHNTWSF-UHFFFAOYSA-N 392.477 2.735 0 40 GFAB COc1ccccc1OCc1nnc(N2CCN(C)c3ccccc3C2)n1C 564365460 XQDVERQSAYYPMK-UHFFFAOYSA-N 379.464 2.859 0 40 GFAB c1ccc(N2CCN(c3ncc(-c4cnccn4)c(-c4ccco4)n3)CC2)nc1 72338646 XSYOHKPNXHPLLM-UHFFFAOYSA-N 385.431 2.915 0 40 GFAB CCn1nnc(NCc2cc(Br)cc(Br)c2OC)n1 32616988 LUMXJKMTIKSZID-UHFFFAOYSA-N 391.067 2.839 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(F)c1 46699543 KVZFGSPNOPATKV-BEFAXECRSA-N 387.430 2.737 0 40 GFAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1OC 225949723 VBVVKJQCEXWZND-LJQANCHMSA-N 390.461 2.641 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(C(=O)OC)cc1 44884301 DLTFMGIFFFBCRG-UHFFFAOYSA-N 390.461 2.555 0 40 GFAB CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)cc1 224584860 VJYFCURKWHXCPU-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)c1 256046889 IRJVMLCOQVRZSJ-UHFFFAOYSA-N 377.448 2.596 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 257289318 PYCVMCURXXSLLJ-LJQANCHMSA-N 381.411 2.538 0 40 GFAB COc1cccc2cc(C(=O)N3CC[C@@H](Oc4nc(C)cc(C)n4)C3)c(=O)oc12 253472335 LKOZZZRIDNSKND-OAHLLOKOSA-N 395.415 2.502 0 40 GFAB Cc1cccc2c1CNCCN2S(=O)(=O)c1ccnn1CCc1ccccc1 622011546 AHUWYTHZIIRTBA-UHFFFAOYSA-N 396.516 2.733 0 40 GFAB COc1cccc(C[C@]2(C(=O)N[C@H](C)c3nnc(O)n3C)C[C@H]3CC[C@H]2C3)c1 640582673 HTJAWSAIDCVGFS-RXRVUPSGSA-N 384.480 2.756 0 40 GFAB Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(S(C)(=O)=O)c1 653546608 KWATYSPIQUXWOD-RWMBFGLXSA-N 382.482 2.655 0 40 GFAB Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 585291778 FZXLDMMOCQOOCX-LLYBFZRZSA-N 386.525 2.727 0 40 GFAB Cc1ccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1O 585111108 DWOMWWNSKZOTJY-FQEVSTJZSA-N 377.444 2.989 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894508 CQBWAHVZDQSUPJ-WIYYLYMNSA-N 385.552 2.895 0 40 GFAB CCc1ccc(-c2nn(CN3CCN(c4ncccn4)CC3)c(=S)[nH]2)cc1 56552680 DYIBAEDMSGRHSE-UHFFFAOYSA-N 381.509 2.740 0 40 GFAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCC[C@H]1C(=O)Nc2ccccc21 95947341 GWSPUYBSGJICQC-DOTOQJQBSA-N 377.444 2.820 0 40 GFAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C1CCN(c2cnccn2)CC1 84392790 KYDJRYBKSASMSG-QUCCMNQESA-N 384.455 2.869 0 40 GFAB Cc1ccc(CSCCNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 103114203 GQSFSTBMZRSFIT-QZTJIDSGSA-N 388.533 2.910 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1NCCO 5279340 DSFIJDDAXGZMGL-UHFFFAOYSA-N 378.812 2.548 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 5246854 HDXIWDLBQWZULX-COXVUDFISA-N 390.480 2.964 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1ccc(Cl)cc1 12146296 DUVMAZQILWFYBJ-SFHVURJKSA-N 397.862 2.608 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)c3cnc(C)nc3C)cc2n1 12161383 FPVPJOZHSNAFBO-QGZVFWFLSA-N 380.452 2.772 0 40 GFAB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1c[nH]c2ccccc12 12409794 VTLHCUGIOLJZKP-UHFFFAOYSA-N 377.853 2.530 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 12859470 KLFKRYXUNVDZGN-UHFFFAOYSA-N 393.443 2.668 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)c3ccc(C)s3)C2)c2cccnc21 19216841 SUFFAXNGWHBYPE-OAHLLOKOSA-N 397.504 2.567 0 40 GFAB NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19344571 NODVEOOOPHUXKU-DYESRHJHSA-N 384.501 2.841 0 40 GFAB COc1ccc(CN2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 19552338 VYGBZDQBRCOQDH-INIZCTEOSA-N 394.479 2.665 0 40 GFAB CC(C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)N1CCOCC1 19662551 FGQZQSGOHWJMLW-IBGZPJMESA-N 394.943 2.861 0 40 GFAB COCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 19706219 CUHDGRCHYYWKHD-IBGZPJMESA-N 395.507 2.833 0 40 GFAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 19711008 UTHIOONBXPXGNN-AWEZNQCLSA-N 398.898 2.878 0 40 GFAB Cc1c(C(=O)Nc2cnn(Cc3ccccc3F)c2)sc2nc[nH]c(=O)c12 19717855 ADWACDIEMSCZQD-UHFFFAOYSA-N 383.408 2.929 0 40 GFAB COc1cc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)ccc1O 19550050 XBGWXWYDMKQYGJ-HNNXBMFYSA-N 376.478 2.579 0 40 GFAB COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO 19559333 JQYCNBUKEWPHIF-INIZCTEOSA-N 399.520 2.815 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1F)N[C@H]1CCCc2ccccc21 5858908 YIZQRJXDUNDACZ-KRWDZBQOSA-N 376.453 2.688 0 40 GFAB Cc1nnsc1C(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889122794 ILBIIAHXALHNMX-ZYHUDNBSSA-N 383.399 2.611 0 40 GFAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)N[C@@H](Cn1nccn1)c1ccccc1 245026584 NBMUPNLLVDPCOC-FQEVSTJZSA-N 390.422 2.838 0 40 GFAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)cc1O 2037849772 HRMSYGIILDXPKD-BJIWPFEXSA-N 389.492 2.782 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912676 UIFMRISZVQFYAO-IBGZPJMESA-N 397.443 2.950 0 40 GFAB Cc1ncsc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985771 VVQPMVNHRIBYHU-HXUWFJFHSA-N 385.489 2.880 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@]2(CCCN(CC3CC3)C2)C1 2056224861 ZYERBOSALIPYPU-NRFANRHFSA-N 390.549 2.898 0 40 GFAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccccc2)cc1C 720557 ZNMGHUHKTBSZKG-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB CC(C)OC(=O)[C@H]1C[C@@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 4143811 IHNLSGUEYFDDLL-BIZBXSGISA-N 394.439 2.769 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)c3cc4ccccc4o3)CC2=O)cc1OC 4497696 OFTHLFRSMXOSOO-AWEZNQCLSA-N 380.400 2.985 0 40 GFAB CCn1cc(C(=O)OCC(=O)Nc2ccc(OC)cc2)c(=O)c2ccc(C)nc21 6635193 MUHPHLXUXKQTTQ-UHFFFAOYSA-N 395.415 2.529 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O 10104730 JCYOFVOZSAHPIZ-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC(c1ccccc1)c1ccccc1 10326531 QKMXPBZYDWGXLZ-UHFFFAOYSA-N 388.423 2.937 0 40 GFAB CN(C)c1cccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 38946856 HZBHKRUKNGIISR-SFTDATJTSA-N 395.478 2.980 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(-c2ccccc2)nn1CCO 49027705 BFJRYIHOTFSSEH-VBKZILBWSA-N 379.416 2.709 0 40 GFAB O=C(CCNC(=O)c1ccoc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 25140086 QKEKPZNATDOIRJ-UHFFFAOYSA-N 390.461 2.755 0 40 GFAB CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(C)c1 36550255 ADULOBBAOOBCHI-UXHICEINSA-N 397.544 2.886 0 40 GFAB C[C@H](C(=O)NC1CC1)N1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 40040307 ITXPOAALGLATAL-ZIAGYGMSSA-N 391.466 2.777 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CC2CCCCC2)CC1 40158305 XLFUTUNMGQLDON-JOCHJYFZSA-N 385.552 2.501 0 40 GFAB NC(=O)NCc1ccc(C(=O)OCC(=O)c2sccc2Br)cc1 50762563 YTJUHGUZSCRYRF-UHFFFAOYSA-N 397.250 2.719 0 40 GFAB CCOC(=O)c1sc2cccc(F)c2c1CN1C(=O)C(=O)N(CC)C1=O 31706845 MORSWNJZKOMVSM-UHFFFAOYSA-N 378.381 2.528 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1c1ccc(I)cc1 1105966 HORVZPLJEMUKHC-UHFFFAOYSA-N 385.182 2.640 0 40 GFAB COc1cc2c(cc1OC)C(=O)O[C@@H](c1ccc(OC)c(OC)c1C(=O)O)N2 2151018 RALFJHSOWLDVNC-KRWDZBQOSA-N 389.360 2.700 0 40 GFAB biogenic Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 21095293 MDQXOMKYFZOEMT-UHFFFAOYSA-N 396.852 2.815 0 40 GFAB Cc1cccc(OS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1C 32770583 BFSMNJPQZMSGQR-UHFFFAOYSA-N 381.475 2.512 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)N(C)C 32924421 QQJVWMQXDSMQGB-GOSISDBHSA-N 383.448 2.685 0 40 GFAB COCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10324897 SEMDGNGVDVQGTD-OAHLLOKOSA-N 388.489 2.593 0 40 GFAB COc1ccc(N(CC(F)(F)F)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 10387606 UVKMMGXZVWLBSB-UHFFFAOYSA-N 392.333 2.887 0 40 GFAB NC(=O)c1ccsc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 2664566 DUPRYUCEKJHEEE-UHFFFAOYSA-N 382.445 2.536 0 40 GFAB CCc1nn2c(O)cc([C@@H]3CC(=O)N(CCOC)C3)nc2c1-c1ccccc1 100775868 UEIGJYXZUQSRMB-OAHLLOKOSA-N 380.448 2.627 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325663 WLVXSSXBPKJLHZ-MRXNPFEDSA-N 375.494 2.665 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1C 53542526 PZKHZNBOYHWLFD-MRXNPFEDSA-N 376.478 2.987 0 40 GFAB COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3nnnn32)cc1 723867 YYCCPECYUNQRGH-SFHVURJKSA-N 377.404 2.714 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccnn1C(C)C 23175629 UTNJFCIXIRCWCA-UHFFFAOYSA-N 387.469 2.569 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2cc(OC)ccc2Br)CC1 24469918 VZGWCAWOJBGHAJ-UHFFFAOYSA-N 385.258 2.808 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 24755680 GWZGJHVDJUABRU-UHFFFAOYSA-N 388.474 2.970 0 40 GFAB O=C1C[C@@H](n2nc(-c3ccccc3Br)oc2=S)[C@@H]2CO[C@@H]1O2 100995042 PWQGUYBBFKDPCJ-SUZMYJTESA-N 383.223 2.890 0 40 GFAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 100180730 QLHHWEITWDYDSE-QNTYUMOHSA-N 391.471 2.695 0 40 GFAB COCCN(CCOC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 26228121 DFYFYNBYWOFSAV-HXUWFJFHSA-N 399.491 2.861 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492886 SVSQQHAEXPWWJF-AWEZNQCLSA-N 385.489 2.745 0 40 GFAB C[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1nnc2ccccc2c1=O 44450402 IJLPXUBOIUEPFK-LLVKDONJSA-N 378.417 2.510 0 40 GFAB Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 57784359 APIYLQXLVANYMI-UHFFFAOYSA-N 385.783 2.703 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1nn(C)c(=O)c2ccccc12 57768325 LFJPKTAJVXLPHJ-UHFFFAOYSA-N 395.459 2.542 0 40 GFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 58208592 ZYCNODCZAAIFQN-STQMWFEESA-N 378.519 2.534 0 40 GFAB COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36369928 YGSHISPKRBBYEJ-UHFFFAOYSA-N 395.463 2.638 0 40 GFAB biogenic C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1=O 12556556 KPLIKEDTQBAPJO-ZIAGYGMSSA-N 378.432 2.944 0 40 GFAB COc1ccc2[nH]c3c(N4CCN(C(=O)c5ccco5)CC4)ncnc3c2c1 2424043 WOQBBCVBZWLOLQ-UHFFFAOYSA-N 377.404 2.675 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 3595028 VUKDDSFBZRICCP-QGHHPUGFSA-N 386.279 2.921 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)c2cnc3c(cnn3C(C)C)c2)cc1 12980386 ALFGROKPPVVJMW-UHFFFAOYSA-N 381.436 2.732 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 12997517 LJTQETKAIFHKRJ-KRWDZBQOSA-N 387.457 2.839 0 40 GFAB COc1ccccc1CCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 12904312 RCUAZKOQNSAESB-UHFFFAOYSA-N 396.468 2.716 0 40 GFAB COc1ccc(C2=NO[C@@H](CNC(=S)NCc3ccc4c(c3)OCO4)C2)cc1 5137315 LHCKWHJYBJCQDU-MRXNPFEDSA-N 399.472 2.581 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccnc2)c1 4414393 IPALCXPQXFZPIB-GOSISDBHSA-N 392.419 2.618 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 27845402 XUZXULDHOZLFPL-CHWSQXEVSA-N 378.416 2.504 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 6497178 DUQAMVYOTALKHW-CHWSQXEVSA-N 383.448 2.751 0 40 GFAB CN1CCN(c2nnc3n2-c2ccc(Cl)cc2[C@@H](c2ccccc2)NC3)CC1 5529564 MELAHTGRERHHBZ-HXUWFJFHSA-N 394.910 2.865 0 40 GFAB CCCCNC(=O)[C@H](CCSC)NC(=O)N1CCn2c1nc1ccccc12 6672800 QJUDRJHBPQMTJD-HNNXBMFYSA-N 389.525 2.604 0 40 GFAB Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 6624336 QLJJENPTFPHHGW-INIZCTEOSA-N 399.443 2.823 0 40 GFAB biogenic Cc1cc(O[C@H](C)C(=O)NCCCn2ccnc2)c2c(C)c(C)c(=O)oc2c1 6659716 NFEDQXJUMVTXCX-MRXNPFEDSA-N 383.448 2.889 0 40 GFAB C[C@@H]1CCc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CCc2ccccc2)C1 6759908 VOXDTHWZGDHJAA-CYBMUJFWSA-N 398.484 2.677 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 4989067 RFCHRCLMEPYSCO-FQEVSTJZSA-N 399.443 2.726 0 40 GFAB COC(=O)c1cc(=O)n(-c2ccc(OC)cc2)/c(=N/c2ccc(OC)cc2)s1 15307186 MGXOKFFHEFTFKW-MRCUWXFGSA-N 398.440 2.935 0 40 GFAB Cc1cc(C2=NN=C(NC(C)(C)C)SC2)c(C)n1[C@H]1CCS(=O)(=O)C1 15452907 HRCVBPLLCKGZRF-ZDUSSCGKSA-N 382.555 2.660 0 40 GFAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)NCC1CCCCC1 19482976 JJZSLMUNNCSQGQ-OAHLLOKOSA-N 390.480 2.760 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c(C)c1 9535832 CVWLVRODIBUUMP-UHFFFAOYSA-N 387.505 2.520 0 40 GFAB COc1cc(-c2nnc(SCN3CCCCC3=O)o2)cc(OC)c1OC 95460204 VGYMHNXBXCVBGY-UHFFFAOYSA-N 379.438 2.825 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1 95998688 DKFYZWMBCCHQQG-INIZCTEOSA-N 399.495 2.953 0 40 GFAB Cc1ccc(NC(=O)C[C@@H]2N=C(NC(=N)Nc3ccccc3)N=C2O)c(F)c1 22607414 ZDUUTCBHQLLSEU-HNNXBMFYSA-N 382.399 2.794 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1C 28207420 GSIWOFLYWRCFJF-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COC[C@@H](C)NC(=O)CN1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 72374275 OZSXNNSUYFVRRT-QGZVFWFLSA-N 397.523 2.859 0 40 GFAB Cc1nc2ccnn2cc1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 566659139 AFDVVRAFSJOINR-UHFFFAOYSA-N 377.448 2.845 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 225615022 LTYFYUGTSIEWRF-UHFFFAOYSA-N 386.473 2.788 0 40 GFAB COc1cc2c(cc1S(=O)(=O)NCCCN1CCC[C@@H](C)C1)CCCC2 223250786 XRPPJKPNDFOLHY-MRXNPFEDSA-N 380.554 2.974 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)n2cc(C(=O)OC)c3ccccc32)cc1 222604163 TWTHZJGVGAGIRY-UHFFFAOYSA-N 386.429 2.878 0 40 GFAB CCc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 224087586 LNZDJHRIMRMUDJ-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101286 FLWAAPFYVQBUNG-UHFFFAOYSA-N 382.851 2.515 0 40 GFAB O=C(Nc1nc(C(=O)Nc2nc(-c3ccco3)cs2)co1)c1cnccn1 77196561 NCCCIDPMWPBJKX-UHFFFAOYSA-N 382.361 2.686 0 40 GFAB CN1C[C@H]2C3(CCN(Cc4cccnc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036304 OBQZMWNJSRGZGG-NZQKXSOJSA-N 382.552 2.628 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 244511199 ZMXMXYQIZARFGR-UHFFFAOYSA-N 396.487 2.915 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@H](Cc3cncc(-c4cnc(C)n4C)n3)C2)n1 257264076 LSUSKZLRZBOCCU-KRWDZBQOSA-N 390.491 2.984 0 40 GFAB C[C@H](C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1)N1CCCC1=O 257267240 MGNANQUJTQOADD-MRXNPFEDSA-N 393.491 2.937 0 40 GFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccccc2OC)CC1 257343259 ZSDWTYHETXAODP-NQIIRXRSSA-N 387.524 2.549 0 40 GFAB Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C 285568408 UHGMWFUXZMZSQV-PBWFPOADSA-N 386.901 2.592 0 40 GFAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CCN([C@H]2CCNC2)CC1 667574428 WYKVNRFDFMXAKM-AWEZNQCLSA-N 391.928 2.975 0 40 GFAB COC(=O)C[C@@H](c1ccccc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404344 COHAGXFEWZYSBM-KRWDZBQOSA-N 381.432 2.523 0 40 GFAB biogenic COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 5663479 ASLIDZCDIOKTLE-IBGZPJMESA-N 385.445 2.573 0 40 GFAB O=C(c1cnn2cccnc12)N1CCC(c2ncncc2-c2ccncc2)CC1 12088664 DREWIAILZGIZOL-UHFFFAOYSA-N 385.431 2.601 0 40 GFAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N(C)C)CC3)c(=O)c2c1C 12145319 ONUDWOCYBOAHEJ-UHFFFAOYSA-N 388.537 2.677 0 40 GFAB Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(Cc1ccccc1)CC2 12158350 WFCAVMYUTVKPKP-UHFFFAOYSA-N 394.519 2.559 0 40 GFAB COCCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583445 ODQDUOZYCDNBBP-UHFFFAOYSA-N 388.489 2.594 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)cc1 14166432 NCFSFWBWEIINPR-FQEVSTJZSA-N 386.517 2.883 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@@H]3CCCO3)C1)N2 19127687 JHOCBHMYDUQRFN-FXUDXRNXSA-N 382.455 2.990 0 40 GFAB CCc1ccc2[nH]c(=O)c(CNc3ccc(OC)c(-n4cnnn4)c3)cc2c1 19523010 OXOVCAKFSZZCKK-UHFFFAOYSA-N 376.420 2.687 0 40 GFAB Cc1nonc1C(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1 19558888 CGBUDOCFFLELDV-UHFFFAOYSA-N 380.433 2.795 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 19590301 MRFOENXOCOYZLU-IBGZPJMESA-N 396.491 2.849 0 40 GFAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 19690741 JHAZHAQMIKHJHY-FQEVSTJZSA-N 387.505 2.771 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)c2cscn2)CC1 13266659 DOWFTEQPNGCKNZ-UHFFFAOYSA-N 384.436 2.949 0 40 GFAB CCOC(=O)c1sc2ncnc(N3CCN(CC(F)(F)F)CC3)c2c1C 24573834 SBYAFLOALNAKGN-UHFFFAOYSA-N 388.415 2.861 0 40 GFAB CCOc1ccc(-c2noc(CN3Cc4ccccc4C[C@H]3C(=O)NC)n2)cc1 26917737 VYUKBRVBOIZEMC-IBGZPJMESA-N 392.459 2.808 0 40 GFAB CCOc1ccc(C(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cn1 1776009504 GLLDMELMUVVWNZ-UHFFFAOYSA-N 396.369 2.973 0 40 GFAB Cc1nc(SCc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138846 DGUFRDFNUXDEAM-UHFFFAOYSA-N 396.394 2.647 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)C[S@@](=O)C3)cc1 4224693 JIJGNVQOXFVTIN-NDEPHWFRSA-N 397.456 2.661 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)CCCc3ccccc3)CC2=O)cc1OC 5221742 GABHWNGYHQVVLI-KRWDZBQOSA-N 382.460 2.948 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1c2ccccc2C[C@H]1C 7458785 QMEMWGAZICZWGF-CYBMUJFWSA-N 379.391 2.972 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc(Cl)cc1 11027366 OKRNEJMAESFBNZ-UHFFFAOYSA-N 388.836 2.918 0 40 GFAB COc1ccc(CNC(=O)Cn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 23126478 NRTLMGWNSXQFOA-UHFFFAOYSA-N 376.416 2.511 0 40 GFAB CC(=O)O[C@H]1OCCO[C@H]1NC(=S)Nc1ccc(Nc2ccccc2)cc1 28294226 KCLFVERBWXDAKG-QZTJIDSGSA-N 387.461 2.979 0 40 GFAB CCOc1ccc(N2CCN(CC(=O)NCc3ccc(F)cc3F)C2=O)cc1 49386675 HCJBUAVQBPAZNA-UHFFFAOYSA-N 389.402 2.922 0 40 GFAB COc1ccc(-n2nc(C(=O)NCc3ccc(Cl)cc3)c(=O)cc2OC)cc1 49407595 SEFLBZPGRDWSII-UHFFFAOYSA-N 399.834 2.833 0 40 GFAB O=C(Cn1nc(C2CC2)ccc1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 575620516 RPTZRTSUHVRPCH-HNNXBMFYSA-N 378.432 2.668 0 40 GFAB COc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)c(OC)c1 2375517 SBNPCIGTVRYRQW-YVLHZVERSA-N 379.441 2.691 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCCOc1cccc(Cl)c1)C2=O 40113627 PZSCBLSASGTVLM-UHFFFAOYSA-N 386.835 2.830 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(S(=O)(=O)c3ccccc3)cc1)[C@H]1C=C[C@H]2C1 101007650 NQTONIPXSJDBHR-LSOMNZGLSA-N 379.437 2.831 0 40 GFAB CCC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCOC 11551526 PAMVEFHXXRURTR-UHFFFAOYSA-N 377.510 2.830 0 40 GFAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 17604051 ZMJYJOJEIBQMNH-UHFFFAOYSA-N 394.880 2.590 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(C)=O)n2CC)cc1 920612 XQMNXQFRYMZXPR-UHFFFAOYSA-N 396.538 2.677 0 40 GFAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)c3cccs3)cc2)CC1 29798807 VXEGICBIKXNRTC-OAHLLOKOSA-N 386.521 2.647 0 40 GFAB CC(C)c1ccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)c4cccn4C)CCN3C2=O)cc1 3840343 CZOZUUYNHZRSOO-LPHOPBHVSA-N 394.475 2.878 0 40 GFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CCOc1ccccc1F 32787947 VBOAZJDTYDQUDU-UHFFFAOYSA-N 394.468 2.535 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1NC(C)=O 4914269 BRRIWHABSVFMHK-UHFFFAOYSA-N 392.433 2.616 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 6204695 JDZCDLKNNSPRHN-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(C(F)(F)F)c2)c1 6925935 ZRRYLPVTISPRSX-GEEKYZPCSA-N 391.349 2.617 0 40 GFAB O=C(OCC(=O)c1ccc[nH]1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 7984906 XSNWGQHLPGTAKP-ATVHPVEESA-N 389.371 2.685 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 32841814 YAANWUKNNNTSJF-FQEVSTJZSA-N 376.460 2.754 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 2665122 YVQMXZUAISXEEU-LSDHHAIUSA-N 375.387 2.912 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCC(C)CC4)C3=O)n2)cc1 8190431 IHCKYCCGLGGYFJ-UHFFFAOYSA-N 395.467 2.507 0 40 GFAB COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)ccc1O 11917632 AMMQDZGUBXPTBE-IBGZPJMESA-N 395.411 2.743 0 40 GFAB CCOC(=O)/C=C1\C[C@@H]2[C@H]3C4C5[C@@H]([C@@H]13)[C@@H]1O[C@@H]1[C@H]5[C@H]1/C(=C/C(=O)OCC)C[C@H]2[C@@H]41 104293337 PQZHGKNYSHTADS-ULOZVWKXSA-N 396.483 2.757 0 40 GFAB COc1ccc(NC(=O)CSCC(=O)Nc2nnc(C3CC3)s2)cc1 23076480 LNBOURLCFYFJCF-UHFFFAOYSA-N 378.479 2.735 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 23151721 HOOBDNNXLIHBGS-UHFFFAOYSA-N 395.459 2.642 0 40 GFAB Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 42793126 ZJUISDAPDFARJM-UHFFFAOYSA-N 376.434 2.504 0 40 GFAB COC(=O)c1ccc(Cn2nc(C3CC3)c3cnn(-c4ccccc4)c3c2=O)o1 22767909 KRCZBWXGIDJKPW-UHFFFAOYSA-N 390.399 2.888 0 40 GFAB Cc1nc(CN2CCN(C(=O)CC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)CC2)cs1 100731252 YXNXIDKGNMUUKE-AMZMEHNNSA-N 389.565 2.817 0 40 GFAB Cc1ccc(NC(=O)C[C@@H]2N=C(NC(=N)Nc3ccccc3)N=C2O)c(C)c1 22607406 YREZKVCYESJWLS-INIZCTEOSA-N 378.436 2.963 0 40 GFAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1 24115759 RWBQXCUJOOFDPS-AWEZNQCLSA-N 384.505 2.902 0 40 GFAB CCN(CC)[C@H](CNS(=O)(=O)c1c(C)noc1C)c1cccc(OC)c1 24711458 DODDKXVOQUMVCO-QGZVFWFLSA-N 381.498 2.661 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2ccc(OC(F)F)cc2)c1 25238976 VAXVOMWKXUREDA-UHFFFAOYSA-N 384.404 2.518 0 40 GFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25324997 QEESZKLUJUVROL-OAHLLOKOSA-N 380.448 2.757 0 40 GFAB COC(=O)[C@@](C)(c1ccccn1)N(C)Cc1nc([C@H](C)OCC(C)C)no1 108161467 DEZAGULIXNNPEJ-IFXJQAMLSA-N 376.457 2.718 0 40 GFAB CCc1cc2c(=O)n(CC(=O)c3ccc(CCNC(C)=O)s3)cnc2s1 58392315 BEDCHDQAFSICPE-UHFFFAOYSA-N 389.502 2.643 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@](C)(O)c3ccccc3)CC2)c1 58198227 OQXTVEKGUAOHLB-NRFANRHFSA-N 388.533 2.517 0 40 GFAB CCn1c(=O)n(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)c2ccccc21 10236638 QCALYFGKEOODAN-UHFFFAOYSA-N 387.461 2.927 0 40 GFAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 172443229 MPMNARNPXPUVLQ-AWEZNQCLSA-N 379.931 2.626 0 40 GFAB O=C(Nc1cccc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1)C1CC1 36398447 BRFOLVLZHQNCTI-LJQANCHMSA-N 381.407 2.984 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccccc3)n2)C1 12769980 BUADTTPERQQFLX-HUUCEWRRSA-N 386.521 2.990 0 40 GFAB COc1ccc2c(C)c(CC(=O)Nc3ccc(C(=O)O)cc3)c(=O)oc2c1OC 12894457 IAXWQVONYVAYOO-UHFFFAOYSA-N 397.383 2.998 0 40 GFAB biogenic O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccc(Cl)cc1 12895115 RJPGAFNYWMGOAV-OAHLLOKOSA-N 379.865 2.836 0 40 GFAB O=C(CN1CCC(c2ccc(O)cc2)CC1)NCCc1ccc2c(c1)OCCO2 12920732 ZFGBERCUXSWRIV-UHFFFAOYSA-N 396.487 2.702 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)c1 12920734 MEFSBNVVQRARQE-GOSISDBHSA-N 379.420 2.657 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(F)cc2F)cc1C 13012845 UJDMRTLZLNFGQR-UHFFFAOYSA-N 396.459 2.861 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(OC(F)F)cc3)cnc12 8745637 WEUURVDRAOHVLV-UHFFFAOYSA-N 387.386 2.665 0 40 GFAB Cn1c(SCC(=O)Nc2ccnn2C2CCCC2)nnc1-c1ccncc1 8704028 AHDSBYOEVGRMPW-UHFFFAOYSA-N 383.481 2.920 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)C2CCCCC2)cc1 408622484 OUROIEVZVWTMGJ-UHFFFAOYSA-N 382.526 2.933 0 40 GFAB CCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4469013 LHPUHYCPQVQLRG-QHCPKHFHSA-N 391.471 2.819 0 40 GFAB CCCCN1C(=O)N[C@@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O 4452591 UJPWPDPUXLNLSY-CQSZACIVSA-N 377.750 2.680 0 40 GFAB COC(=O)C[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 14015884 LGGIXPOLHLABRX-KRWDZBQOSA-N 381.384 2.592 0 40 GFAB COc1ccccc1C(=O)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 6810946 HOIUWDZOMMUVLM-MRXNPFEDSA-N 377.437 2.664 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccc(OCC)cc1 9033495 RHUUGPXHKSCQNG-UHFFFAOYSA-N 385.416 2.986 0 40 GFAB Nc1ccccc1-c1nnc(SCC(=O)N2CCc3ccccc32)nc1O 5932473 AUMZRAUZBMIQJO-UHFFFAOYSA-N 379.445 2.508 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 7057041 SBTGEJDFCCRULR-UHFFFAOYSA-N 388.898 2.700 0 40 GFAB CCCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)cc1 15355123 BSARBACYRLEDSK-UHFFFAOYSA-N 388.464 2.848 0 40 GFAB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)NCCCn1ccnc1 9187643 HTROUICIWXUCRP-KAMYIIQDSA-N 390.490 2.578 0 40 GFAB CNC(=O)[C@H]1CN(C(=S)NCCSc2ccccc2)c2ccccc2O1 7403843 JIHKRAYPYXRMAJ-QGZVFWFLSA-N 387.530 2.667 0 40 GFAB C[C@@H](NC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccccc1 15843078 FCPQYCUQOCGJOM-CQSZACIVSA-N 386.473 2.880 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 7985562 HJWDBFMALJNFMB-OAHLLOKOSA-N 384.432 2.574 0 40 GFAB COc1ccc(-n2c(SCC(=O)N(C)C)nc3ccccc3c2=O)cc1OC 8283096 LLHDNMBXQSPWEV-UHFFFAOYSA-N 399.472 2.583 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)nc1 96006656 NYOIGBSTAHMIKV-UHFFFAOYSA-N 386.477 2.821 0 40 GFAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 8312800 BJAMHHQMFXQISA-ZDUSSCGKSA-N 387.436 2.625 0 40 GFAB Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)o1 9586035 JYWCGRUPQYTTKP-UHFFFAOYSA-N 382.869 2.954 0 40 GFAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 9640983 MAZKQCDUBHPEDO-JOCHJYFZSA-N 393.443 2.925 0 40 GFAB Cc1[nH]c(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1S(N)(=O)=O 84007973 DXAXMWWKKJINNP-UHFFFAOYSA-N 376.482 2.522 0 40 GFAB COC[C@H](O)CN(C)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 78996038 ONVPZMLWAANPKC-CQSZACIVSA-N 395.253 2.716 0 40 GFAB Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)Cc1c[nH]c2ccccc12 79489617 NVRIQGVMWRIFQI-UHFFFAOYSA-N 378.407 2.684 0 40 GFAB O=C(CCn1cncn1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 95947164 LEAGADGMJHZEJP-UHFFFAOYSA-N 390.491 2.629 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Cl)cc1 113870729 GRPBEWIFKNASBF-UHFFFAOYSA-N 382.825 2.578 0 40 GFAB COc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408593771 NKHWQZUNLXWRCN-UHFFFAOYSA-N 391.493 2.951 0 40 GFAB Cc1noc(CCNC(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)n1 1548347879 CBRMDZUMKANKDJ-UHFFFAOYSA-N 382.464 2.786 0 40 GFAB CC(C)n1cnc([C@@H]2CN(C(=O)N3CCCC3)C[C@@]23CCN(CC2CC2)C3=O)c1 306122954 AAMLPBLTZGLBNU-AVRDEDQJSA-N 399.539 2.708 0 40 GFAB Cn1ccnc1C(NC(=O)Nc1ccccc1N1CCCC1)c1nccn1C 528871840 HJGVMWVDFSAXEL-UHFFFAOYSA-N 379.468 2.665 0 40 GFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 36359894 DVMRWNQSZGXWPO-QGZVFWFLSA-N 396.443 2.541 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 226401096 FMKSDXUBMCDTLT-FGZZBPHYSA-N 390.361 2.593 0 40 GFAB COc1cc(NC(=S)N2CCN(Cc3ccco3)CC2)cc(OC)c1OC 225214891 DHYGGHVJEVGSST-UHFFFAOYSA-N 391.493 2.820 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F 223237422 PQYBGBWQRZLFFT-QGZVFWFLSA-N 376.403 2.897 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1 224004271 XZNJADNFIXABGX-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)NCc1ccc2c(c1)OCO2 77200028 VQQXTHSPCSYTOL-SFHVURJKSA-N 386.379 2.536 0 40 GFAB CCCCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1 224233882 XAOMEFFNGJDGIW-UHFFFAOYSA-N 378.498 2.508 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)Nc1ccccc1)C2 96237959 YMZUGIRJFDDBCZ-OAQYLSRUSA-N 382.439 2.781 0 40 GFAB Cc1ccc(CN2C[C@H]3CN(Cc4ccc5c(c4)OCCO5)CCN3C2=O)cc1 96269153 HODVRERDPHACLU-HXUWFJFHSA-N 393.487 2.888 0 40 GFAB biogenic,in-vitro COc1ccccc1Oc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)nc1 578843768 DKCBILUJAULSIU-UONOGXRCSA-N 390.461 2.530 0 40 GFAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3c(C)nn(C(C)C)c3C)OCC(=O)N2C)cc1 96181428 MFBOJMIDGQQCFA-PMACEKPBSA-N 384.480 2.926 0 40 GFAB Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2)c1 583239830 SZQIADXBXPUNIY-LBPRGKRZSA-N 390.447 2.896 0 40 GFAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccsc3)C[C@@H]12 247502448 FXEJWHSMKKIATG-MOPGFXCFSA-N 376.547 2.926 0 40 GFAB O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1ccc2[nH]c(C(F)(F)F)nc2c1 257312021 UMCXJQVUYMKIOV-BPLDGKMQSA-N 393.369 2.663 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC(n3nc(-c4ccoc4C)oc3=O)CC2)CC1 257243777 IIMWUZBBLQPSCX-KOMQPUFPSA-N 389.452 2.773 0 40 GFAB CO[C@](C)(C(=O)O)C(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 663156033 GYPZBJSCRJSQTC-AVRDEDQJSA-N 388.508 2.625 0 40 GFAB O=C(Nc1nc(-c2ccco2)cs1)[C@H]1COCC(=O)N1Cc1cccs1 90608449 RIDCEJSQOJQWLR-CYBMUJFWSA-N 389.458 2.831 0 40 GFAB CN(CC(=O)NCc1cc(O)nc(C2CCC2)n1)c1nc2ccccc2s1 636318854 HBIYPLQSBCFVJI-UHFFFAOYSA-N 383.477 2.812 0 40 GFAB C[C@H]1[C@H](NC(=O)N2CCC(c3ccon3)CC2)CC(=O)N1Cc1ccccc1 661127075 SKKKMVFRKJWWSR-HNAYVOBHSA-N 382.464 2.753 0 40 GFAB CC(C)(O)COc1ccc(CN2C[C@H](O)[C@@H](Oc3ccc(F)cc3)C2)cc1 585273471 VULYTXZFKYIPML-PMACEKPBSA-N 375.440 2.600 0 40 GFAB CCCNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 46613003 MCAGQOUSJKIOIC-MRXNPFEDSA-N 395.459 2.827 0 40 GFAB CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 301681122 JPUCVULDRSRPHH-UHFFFAOYSA-N 386.809 2.936 0 40 GFAB COc1ccccc1NC(=S)C(=O)Nc1sc2c(c1C(N)=O)CCC2 5586938 WHKPSIRRDLTPLH-UHFFFAOYSA-N 375.475 2.722 0 40 GFAB CC(C)(C)c1nc2ccccc2c2nn(CC(=O)NC3CCCCC3)c(=O)n12 12145245 VTSJOOMIEXZQFH-UHFFFAOYSA-N 381.480 2.791 0 40 GFAB COc1ccccc1CN(Cc1ccnc(N2CCOCC2)n1)C[C@@H]1CCCO1 12187609 DRQYNLOCJLKZLT-FQEVSTJZSA-N 398.507 2.503 0 40 GFAB COc1ccc([C@@H]2CN(C(=O)c3ccccn3)C[C@H]2c2cc(O)nc(C)n2)cc1 12337958 QDVINNUEFTXBQD-ZWKOTPCHSA-N 390.443 2.918 0 40 GFAB Cc1cccc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 12912878 AKVISJJFWOZQRF-CMDGGOBGSA-N 381.451 2.930 0 40 GFAB CCN(c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 13584860 JZGAOHDPUBFKQR-UHFFFAOYSA-N 376.478 2.805 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 14607413 ONYCNNRYPLGFAB-XJKSGUPXSA-N 378.856 2.555 0 40 GFAB Cc1ccc(CC(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1 19209272 FYRCQECHNHYGGQ-IBGZPJMESA-N 391.519 2.860 0 40 GFAB Cc1ccc(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cn1 19214823 OFCFHMFDVDQQBV-UHFFFAOYSA-N 395.507 2.653 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)NCC2 19550706 BABRKXAUXXTHBB-FQEVSTJZSA-N 380.400 2.509 0 40 GFAB COc1ccc(CC(=O)N2C[C@@H](c3cccnc3)[C@@]3(CCCCC(=O)N3)C2)cc1 19554331 KBYAZRCQNCOWNJ-NZQKXSOJSA-N 393.487 2.688 0 40 GFAB COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)c3ccncc3)C[C@H]1CC2 19571911 FWNHHHUYLWHFLA-WBVHZDCISA-N 375.432 2.608 0 40 GFAB CN(C)c1cc(C[C@H](NC(=O)c2cnccn2)c2ccccc2)nc(C2CC2)n1 19584268 GCGWRDDQPHGQKX-SFHVURJKSA-N 388.475 2.924 0 40 GFAB CN1CCC(c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)CC1 19711251 JWMOUAKQBQYJRC-UHFFFAOYSA-N 392.507 2.544 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 19020883 KVNAQYYOTPNCNK-CRAIPNDOSA-N 375.469 2.941 0 40 GFAB O=C(NCCc1c[nH]cn1)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12126542 SKBJCGSXAVHDIZ-UHFFFAOYSA-N 398.438 2.902 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(CCCOc4ccccc4C)C3)ncc2C1 19237403 KAGWUIWTNDZIBG-IBGZPJMESA-N 394.519 2.948 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)NCc4cccs4)ccc3c(=O)n2CC1 19448633 IEVNRSXRNFQRNL-UHFFFAOYSA-N 396.516 2.655 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1OC 9219013 WYVBUZJGSASOMM-ZDUSSCGKSA-N 390.509 2.819 0 40 GFAB CN1c2ccccc2N(CCNC(=O)c2cccc(C(F)(F)F)c2)S1(=O)=O 245070474 QLIFGLQAAAKOPY-UHFFFAOYSA-N 399.394 2.636 0 40 GFAB C[C@H](OC(=O)[C@H](C)OC(=O)[C@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)C(=O)O 2061000634 BLYKQUBHCYQPHU-XJIUQZFPSA-N 390.432 2.650 0 40 GFAB COC(=O)c1c(NC(=O)c2cccc(S(C)(=O)=O)c2)sc2c1CCC2 4517907 GFZUEUGKBXWJEW-UHFFFAOYSA-N 379.459 2.679 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)Cc3ccc(OC)c(OC)c3)CC2=O)cc1 5220359 FZIMQFDSTGLEKC-MRXNPFEDSA-N 398.459 2.567 0 40 GFAB COC(=O)CC1=CC(SCC(=O)NC[C@H]2CCCO2)=Nc2ccccc2N1 35480750 IJTUMZOIASBRBL-CQSZACIVSA-N 389.477 2.618 0 40 GFAB COc1ccc(Nc2cc(C)nc(NCCNC(=O)c3snnc3C)n2)cc1 38488327 PPQAWSTZGJGZOC-UHFFFAOYSA-N 399.480 2.539 0 40 GFAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccccc1OC)CC3 48987772 JLVRIQBGLWHHDZ-UHFFFAOYSA-N 393.443 2.542 0 40 GFAB CCCNC(=O)Cn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2ccc(C)nc21 49002047 UUEBTDXMYFEVKI-UHFFFAOYSA-N 392.459 2.792 0 40 GFAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccco2)n1 575614635 ZLVOFGBCBXCIJE-INIZCTEOSA-N 388.374 2.715 0 40 GFAB CC(C)CCN1CC2=C(C1=O)[C@H](c1ccc(Br)cc1)NC(=O)N2 8718092 MMENYLGLIGDETI-HNNXBMFYSA-N 378.270 2.945 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)c3ccc(C)nc3)c2N)cc1 19213118 YEOZDZUWRKYTFW-IBGZPJMESA-N 389.459 2.954 0 40 GFAB C[C@H]1CN(C(=O)Nc2ccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H](C)O1 40546186 CPEBZGBZVCLRLN-FPCVCCKLSA-N 390.484 2.969 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(Cl)cn1 40130899 VIFBJGGUDPMGJG-UHFFFAOYSA-N 393.628 2.846 0 40 GFAB CC(=O)N(C[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100113927 MVHKFIURSMGIOK-QZTJIDSGSA-N 386.835 2.554 0 40 GFAB CN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cc2C1=O 32082162 XOBPOOREYZTTKL-KRWDZBQOSA-N 385.851 2.599 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)c1 101360756 AVMJNCJSYBFURN-NVXWUHKLSA-N 386.791 2.650 0 40 GFAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1363254 DBKSWKIWIVGNMW-MRXNPFEDSA-N 376.453 2.543 0 40 GFAB O=C(O)CCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 4976784 PQJAKUJXHNAVQN-KAMYIIQDSA-N 376.796 2.685 0 40 GFAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC(=O)NC1CCCCC1 6138986 OQOWHVABMZGYOR-GFCCVEGCSA-N 388.497 2.516 0 40 GFAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 6384048 AEALPSFEPSZXQI-ZDUSSCGKSA-N 380.400 2.687 0 40 GFAB CCCNC(=O)NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C 6430689 CXYNTWFFFWLJCY-UHFFFAOYSA-N 397.225 2.896 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(OC)c(F)c2)cc1 32819875 JROAZGSTYSMPMR-UHFFFAOYSA-N 394.468 2.795 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccccc1Cn1ccnc1 32860022 FBVHAAJCMZRTDX-UHFFFAOYSA-N 383.473 2.573 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2ccc(F)cc2)C(C)C)c1 2662966 QCRTYYSMKLHNOZ-IBGZPJMESA-N 388.439 2.914 0 40 GFAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)cn1 100156065 OOJVYKTUFCCRLK-GASCZTMLSA-N 378.436 2.934 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(O)cc2)cc1 8609897 GAJZMRKHCBPKAO-SFHVURJKSA-N 377.404 2.920 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N(Cc1ccco1)Cc1cccs1 102967857 AHZKLTYTUHYROO-IRXDYDNUSA-N 384.457 2.821 0 40 GFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(C)=O)N1c3c(ccc4cccnc34)C=C[C@H]21 103461274 FMMIIWJTGVIPNO-IOQSLGJZSA-N 389.455 2.808 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 59341429 QVDLOJVGLSDUQR-AWEZNQCLSA-N 384.432 2.865 0 40 GFAB CCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc(Cl)c1OC 105741404 WYEXRWROAHQYKK-IEPNIYFGSA-N 395.908 2.722 0 40 GFAB COCCCNC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 55106321 CCMABQIHTJXQNM-INIZCTEOSA-N 388.508 2.799 0 40 GFAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCN(c2ccccc2)C1 24814089 HRYOSLQEVSYMFM-MRXNPFEDSA-N 377.448 2.707 0 40 GFAB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC(F)F 24837482 JAYCJDDLWFAWCV-UHFFFAOYSA-N 376.315 2.775 0 40 GFAB CC[C@@H](C)NC(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N 25044443 LVHLSFQXDQXOLE-CYBMUJFWSA-N 391.541 2.875 0 40 GFAB O=C(NCc1cccc(C(F)(F)F)c1)c1cn(C[C@H](O)c2ccccc2)nn1 77197190 UMOWLFTUUASUNB-KRWDZBQOSA-N 390.365 2.961 0 40 GFAB CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(C)=O)N1c3c(ccc4cccnc34)C=C[C@H]21 103461281 FMMIIWJTGVIPNO-VHIZIOTASA-N 389.455 2.808 0 40 GFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 23056931 VUKOVHCNCRTGBH-HNNXBMFYSA-N 395.506 2.513 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 25500622 VDGJWHJJNSAWIN-UHFFFAOYSA-N 383.448 2.521 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 101021620 UZTJJCITPDODGP-CPCNMJHFSA-N 391.254 2.985 0 40 GFAB O=C(NCCCn1cnc2ccccc21)c1ccc(CN2CCCC2=O)cc1 12548055 DQKITNLYGHYOIT-UHFFFAOYSA-N 376.460 2.979 0 40 GFAB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)cc1 3292281 NESSRDVQZAUPND-UHFFFAOYSA-N 384.432 2.730 0 40 GFAB C[C@@]12CC[C@H](C[C@@H]1C(=O)NC[C@@H]1CCCO1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178390 XZNQWQJQXLWDJQ-SJNSSOCISA-N 384.476 2.627 0 40 GFAB CCOCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 2093593 YASFASDTSALRJJ-UHFFFAOYSA-N 390.505 2.809 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 3265521 BQUJNFAUBARJEM-GOSISDBHSA-N 388.445 2.541 0 40 GFAB in-vitro C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cn2)C[C@H](C)O1 58055792 QPEQVPBAZRRHOI-GJZGRUSLSA-N 378.436 2.528 0 40 GFAB CCCOc1ccc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 22385378 GUXCQRBRJVJKRM-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB COC(=O)c1ccc(C)c(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 10169999 QFANOELRGNCFRF-CQSZACIVSA-N 381.432 2.957 0 40 GFAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCC(O)CC1 78821237 MJVPLUYSITTZIG-GFCCVEGCSA-N 375.296 2.724 0 40 GFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(C(=O)OC)cc3)N2C1=O 2252683 NPNUPDSSANSCPH-ZFWWWQNUSA-N 388.445 2.685 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)N1CCCC1 36384691 QYTZVRNJLDUARZ-UHFFFAOYSA-N 377.488 2.734 0 40 GFAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O)c1ccccc1 2343445 XTABEDWQHMHFRY-INIZCTEOSA-N 381.285 2.775 0 40 GFAB CCCn1cc(CNC(=O)c2cc(-c3ccn(CC)n3)nc3onc(C)c23)cn1 36618004 GLPXXGRYWYXZSG-UHFFFAOYSA-N 393.451 2.951 0 40 GFAB Cc1ccn(-c2cccc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)c2)n1 48313120 FIRXHBQPPHCRCJ-JOCHJYFZSA-N 390.487 2.984 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccccc2Cl)C1=O 3421668 JETLJSVGAJJUHS-GOSISDBHSA-N 389.864 2.931 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 3563015 LQIJNEPZWPCUHC-SFHVURJKSA-N 379.460 2.913 0 40 GFAB CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)Nc1ccc(C(C)C)cc1 12922601 WTYRQVUPCFHTAX-IBGZPJMESA-N 377.510 2.770 0 40 GFAB CCCCOc1ccc(C(=O)NC(=S)NCCCO)cc1Br 8564131 HLOUJQXBELSWNP-UHFFFAOYSA-N 389.315 2.615 0 40 GFAB COC[C@@H](C)n1c(SCC(=O)N[C@@H](C)C(C)C)nc2ccccc2c1=O 6083545 PLHYHEMJURGAMX-KGLIPLIRSA-N 377.510 2.857 0 40 GFAB Cc1cc(C)n2c(SCC(=O)Nc3ccc4c(c3)OCCCO4)nnc2n1 6325827 GHZBFULWRPGAPL-UHFFFAOYSA-N 385.449 2.633 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 6432688 PJCFAXVJKFDIBV-HXUWFJFHSA-N 397.475 2.537 0 40 GFAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C 4512240 LTAQTXWISYBHFG-ROUUACIJSA-N 392.521 2.884 0 40 GFAB Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c2c(C)noc2n1 14490212 KFFTYRMRKIVIQX-UHFFFAOYSA-N 380.448 2.676 0 40 GFAB Cn1cc(Br)c(=O)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 96003481 FDWUECASSJUFNB-UHFFFAOYSA-N 395.637 2.741 0 40 GFAB Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4749889 UWPWDVVCRXQKFH-LJQANCHMSA-N 387.501 2.632 0 40 GFAB Cc1ccc2oc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)c2c1 14933992 HXYKBRPIWIFFFO-UHFFFAOYSA-N 375.384 2.610 0 40 GFAB O=C1C(Cl)=C(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)c2ccccc21 5948275 MVXIDXMBQSPIHU-QWHCGFSZSA-N 380.831 2.797 0 40 GFAB biogenic O=C(OCc1ccc(Br)cc1F)c1ccccc1-n1cnnn1 7737160 YEMBWSUMONNDDR-UHFFFAOYSA-N 377.173 2.921 0 40 GFAB CC(C)c1ccc(CN(CC(=O)N2CCN(c3ncccn3)CC2)C2CC2)cc1 7797994 MDWFGOFLITYBSJ-UHFFFAOYSA-N 393.535 2.913 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(S(C)(=O)=O)cc1 7824488 RRSLFCLQCGRIQI-UHFFFAOYSA-N 397.500 2.882 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccco1 9254736 ZTTXRYWULRRQLN-MRXNPFEDSA-N 384.885 2.595 0 40 GFAB O=C(CSc1nnnn1C1CC1)Nc1nc2c(F)c(F)c(F)cc2s1 8232160 VKTZNZOUGIWUHK-UHFFFAOYSA-N 386.384 2.766 0 40 GFAB CN(C)CCCNC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 9487333 GHTBKGBUWNCXNY-UHFFFAOYSA-N 392.883 2.772 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1cccnc1 72191545 CVRNKLQPHCLLBE-UHFFFAOYSA-N 383.433 2.789 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(C)c1 9690599 LCVVBRSUFJFDPA-GOSISDBHSA-N 391.514 2.805 0 40 GFAB CCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 408970318 FYLAYZNDKPNHOE-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB C[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)C1 20460730 CTBXJPNWXJLRLW-QUCCMNQESA-N 392.565 2.920 0 40 GFAB CCOC(=O)c1cc(NC(=O)C(=O)Nc2ccc(CSC)cc2)cn1C 97164788 WZCYSXYPRRAMKV-UHFFFAOYSA-N 375.450 2.642 0 40 GFAB O=C1OCCN1c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 84387649 OGJHFGXWILWIND-DLBZAZTESA-N 376.478 2.770 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(OC(F)(F)F)cc1 84403040 KBVIZTDWWRAXSU-GASCZTMLSA-N 398.381 2.767 0 40 GFAB Cc1ccc(C(=O)N2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 306143631 YHERHNCZOWJRGY-SFHVURJKSA-N 391.475 2.504 0 40 GFAB CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 35291334 SUVBQAVLDAICGQ-HXUWFJFHSA-N 380.471 2.587 0 40 GFAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@@H]1c1ccccc1 408731492 LCEWUCOCTSRBMT-FXFXYLOPSA-N 394.452 2.500 0 40 GFAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)Nc1nc2ccccc2s1 61969162 GXYHJRRHBFMQEJ-UHFFFAOYSA-N 396.457 2.976 0 40 GFAB CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CN(C)CC2 72372197 GNLWBBWQFONGAY-LJQANCHMSA-N 397.498 2.942 0 40 GFAB COCCn1cc(C(=O)NCCc2ccc(OC)cc2)c2ccccc2c1=O 72401902 BGNOJDOGJYZBKL-UHFFFAOYSA-N 380.444 2.629 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@H](O)C[C@@]12O 139365178 PVAMXWLZJKTXFW-AKMODXLYSA-N 390.520 2.575 0 40 GFAB C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCC2 223253100 JLXSWDZAIOSZFV-MGPUTAFESA-N 386.517 2.985 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 40160798 HIIMXWLAELYPTL-JBVUFVISSA-N 386.492 2.642 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC)c2ccc(C)c(C)c2)s1 223583363 HNQYIPIGZRVOBW-CYBMUJFWSA-N 382.511 2.933 0 40 GFAB O=C(CSc1nccnc1N1CCSCC1)NCc1ccc(F)cc1 48987274 XBGAQOBQWCVNJI-UHFFFAOYSA-N 378.498 2.577 0 40 GFAB COc1cccc(-c2c3c(=O)n(Cc4ccccn4)ccc3nc3nc(C)nn23)c1 40398516 CILUFYLKKWREPP-UHFFFAOYSA-N 398.426 2.867 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc(F)c1 96520156 ZUJKRYORPCJBLT-ZJUUUORDSA-N 392.617 2.621 0 40 GFAB NC(=O)c1cccc(-c2cccc([C@@H]3CN(C(=O)C4CCCC4)CCO3)n2)c1 257289164 PXGYGNVNLZFWLI-FQEVSTJZSA-N 379.460 2.938 0 40 GFAB O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(C(=O)O)nc1 619612972 FACHUXJGVWKLHW-UHFFFAOYSA-N 380.448 2.564 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)cc1C(=O)O 543162572 ONKWFBJEGWYFAT-LLVKDONJSA-N 379.438 2.670 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 41673126 RUNGWBXYWZFIHD-INIZCTEOSA-N 388.489 2.880 0 40 GFAB Cc1noc([C@H]2CN(C(=O)N[C@H](C)[C@@H]3Oc4ccccc4[C@@H]3C)C[C@@H](C)O2)n1 606444981 XIIWGVYJVNZGPX-KIHUKQFUSA-N 386.452 2.803 0 40 GFAB COc1ccc(COCC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cn1 585123719 WIOMCLVBMHJACF-QGZVFWFLSA-N 384.480 2.546 0 40 GFAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@@H](CN1CCCC1)C2 585105155 ZSFRHAZVJLQPFO-GOSISDBHSA-N 378.538 2.651 0 40 GFAB COC(=O)CN(Cc1ccccc1)C(=O)CSc1ccc2c(c1)OCCO2 58213978 DXLRNYKRGDEMQB-UHFFFAOYSA-N 387.457 2.752 0 40 GFAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 69419379 AGHSZHYGAFSQKJ-XLIONFOSSA-N 391.471 2.875 0 40 GFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 105114860 BQXNELUDWFTVED-YHUYYLMFSA-N 375.469 2.918 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615160898 UKAZNODRZNZKRW-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB C[C@H]1CCn2ncc(C(=O)N3CC[C@@H](Nc4ncnc5ccccc45)C3)c2C1 1615613213 RGBXRVIAKKBKBM-LSDHHAIUSA-N 376.464 2.735 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(COc2ccc(F)cc2)no1 13005640 UDQIIMQYXYHCDW-UHFFFAOYSA-N 395.394 2.656 0 40 GFAB COC(=O)Cc1c(C(=O)OC)nnc2c(-c3cccc4ccccc34)c(C)nn12 13639273 HAEJXXDDFQURTJ-UHFFFAOYSA-N 390.399 2.755 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC 14291910 OCQNDDKGMKUJSQ-AWEZNQCLSA-N 376.478 2.875 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)NCCc1ccc(C(F)(F)F)cc1 15651224 BZIUGRZTVPJRIA-UHFFFAOYSA-N 381.379 2.836 0 40 GFAB CCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)CC1 18176161 BFOAVVNTFMGHJV-UHFFFAOYSA-N 394.479 2.790 0 40 GFAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2cccc(F)c2)C3)C1 19017095 VXOJMAUCIBRQKT-MRXNPFEDSA-N 382.439 2.540 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)[C@H]2CC=CCC2)CC1 19288962 ZSMCXDUSUGHLTC-KRWDZBQOSA-N 379.508 2.919 0 40 GFAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)c2ccccc2)C3)C1 19459357 MTMOQBBPUCJNDV-YJBOKZPZSA-N 378.476 2.501 0 40 GFAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(N2CCOCC2)cc1 19660208 UGJJZISMUBKJFP-UHFFFAOYSA-N 378.432 2.845 0 40 GFAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2n[nH]c3nc(C)ccc23)CC1=O 19715380 NQSQAQILRBVNOJ-ZDUSSCGKSA-N 379.420 2.575 0 40 GFAB Cc1nc(N)cc(CC2CCN(C(=O)C[C@H](C)n3nc(C)c(C)c3C)CC2)n1 19758419 PBFXGZVOTFDAJB-ZDUSSCGKSA-N 384.528 2.921 0 40 GFAB Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1-c1cnccn1 528035570 ZQTGNPHFTLBWTH-UHFFFAOYSA-N 390.491 2.674 0 40 GFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@@H]4CCCO4)nn3cn2)cc1 12085199 BGTANHYGIMRNOM-BBRMVZONSA-N 381.436 2.546 0 40 GFAB NC(=O)C1CCN(c2ccc(NCc3cc4ccccc4[nH]c3=O)cc2)CC1 12088312 JQZAMPXJLQWZII-UHFFFAOYSA-N 376.460 2.842 0 40 GFAB CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(CC(C)=O)CC1 12157103 VIDQFRWIFAJGGN-GOSISDBHSA-N 390.455 2.943 0 40 GFAB Cn1cnc2ncnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)c21 1888882296 XPVKINJHPDXLFR-UHFFFAOYSA-N 392.511 2.655 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888908416 LOENYUUPOCUTIG-UHFFFAOYSA-N 395.438 2.926 0 40 GFAB Cc1ccccc1-n1ncc(C(=O)N2CCN(c3cnccn3)CC2)c1C1CC1 30110676 UCNGIRMZOKJESO-UHFFFAOYSA-N 388.475 2.811 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238887835 QHBPPEMXHGMEON-DLBZAZTESA-N 377.400 2.751 0 40 GFAB CCCn1nccc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985553 NPMMHTPYORAUBJ-JOCHJYFZSA-N 396.491 2.721 0 40 GFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(OC)cc2)cc1 2421717 OKGGTQMZDKIXLK-UHFFFAOYSA-N 391.427 2.712 0 40 GFAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10219290 QJWFDAFVJQWDRI-UHFFFAOYSA-N 389.458 2.626 0 40 GFAB COc1ccc(CCC(=O)NCc2cncc(-c3ccnn3C)c2)c(OC)c1 575615829 IQKOMOCCBYSLFH-UHFFFAOYSA-N 380.448 2.748 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2cncc(N3CCCC3=O)c2)c1C 585150309 MXOKNTUADLLDJK-UHFFFAOYSA-N 387.505 2.921 0 40 GFAB NC(=O)c1cc([C@H]2CCCCN2C(=O)COc2ccc(Cl)cc2Cl)n[nH]1 225553539 IPWDSBRIWHHDDR-CQSZACIVSA-N 397.262 2.948 0 40 GFAB C[C@H](NC(=O)c1cncc(Br)c1)c1ccc2c(c1)NC(=O)CO2 40072776 TXKCDQMKDMVKQR-VIFPVBQESA-N 376.210 2.666 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc(OC2CCCC2)c1 31206370 JFVIRIKIOSIZTG-UHFFFAOYSA-N 380.452 2.826 0 40 GFAB CSc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20487444 CHPMCZQRRVOQON-MRXNPFEDSA-N 378.475 2.574 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nc1-c1cccs1 17636453 LLUOACGNLJXWKT-ZDUSSCGKSA-N 387.486 2.518 0 40 GFAB CC(C)(C)c1nc2cc(NC(=O)Cn3nc4n(c3=O)CCCCC4)ccc2[nH]1 32466059 MSNQWVJEVSQJPE-UHFFFAOYSA-N 382.468 2.584 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 3325899 BTFXGTAHGMHBKS-UHFFFAOYSA-N 379.482 2.529 0 40 GFAB COc1ccc(OC)c(NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 4135137 CMIZLCIYFQYSGJ-UONOGXRCSA-N 385.489 2.682 0 40 GFAB biogenic CCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160421 YPLYLHAFKCJMBM-UHFFFAOYSA-N 396.472 2.548 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2)cc1 6065750 PFXSKVSKQPHQTD-CQSZACIVSA-N 390.461 2.557 0 40 GFAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)c1 8415488 ATZQUKUZADBZNS-UHFFFAOYSA-N 386.379 2.929 0 40 GFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCC1 8310470 PBDQXBLJKYQBHZ-QGZVFWFLSA-N 387.480 2.753 0 40 GFAB CCOC(=O)C1=C(COC(=O)[C@@H](C)Sc2ccc(C)cc2)NC(=O)N[C@H]1C 8328905 VASARLGGIYYRCB-QWHCGFSZSA-N 392.477 2.537 0 40 GFAB O=C(C[C@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl 9926564 SCCWJBZNYFVCLT-INIZCTEOSA-N 392.887 2.511 0 40 GFAB CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 851083 CPTFOHAQVRIRKH-UHFFFAOYSA-N 379.434 2.691 0 40 GFAB aggregator Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 945242 AQQSKAPNJWFLNT-KSSFIOAISA-N 395.411 2.681 0 40 GFAB biogenic COC(=O)C1=C(C(=O)OC)[C@]2(c3ccccc3)c3ccccc3[C@@H]1[n+]1ccccc12 104137509 DKMUFSBYSWBWDW-WIOPSUGQSA-N 398.438 2.868 0 40 GFAB CCCn1nc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)ccc1=O 23880585 GLQBWKBBJXCKJB-UHFFFAOYSA-N 375.379 2.670 0 40 GFAB Cc1cc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc(C)c1Cl 102085602 LTDXGLOQYGSKQK-ZJMHZOEWSA-N 385.847 2.915 0 40 GFAB O=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccn2)C3=O)cc1 3150565 MBXBLIVVUCLTDW-UHFFFAOYSA-N 387.351 2.833 0 40 GFAB CCc1nn2c(=O)cc(CN(C)Cc3ccc(OC(F)F)cc3)nc2s1 24820123 APZVHJYOJVRAJU-UHFFFAOYSA-N 380.420 2.947 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 12541061 NZDFHTJLGDNFTE-QUJCMNEKSA-N 377.872 2.897 0 40 GFAB COc1ccc([C@H]2CCN(C(=O)NCCn3c(=O)oc4ccccc43)C2)cc1 106565803 WLEJTBXRVYQXHU-INIZCTEOSA-N 381.432 2.802 0 40 GFAB O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 55408558 BPOFXNSTTMAIFW-ZWKOTPCHSA-N 396.940 2.877 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1cccc(N2CCOC2=O)c1 56963790 KZZGHGBKXDKRQA-OAHLLOKOSA-N 391.427 2.775 0 40 GFAB COc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1F 57486197 IIGJQCBHQNUOQT-UHFFFAOYSA-N 399.466 2.848 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491664 YQXXMNOCZKRSGP-UHFFFAOYSA-N 391.880 2.784 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)o1 44324677 VCZPVWXMKZMCJX-LRDDRELGSA-N 383.491 2.627 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 23176084 VOAYMCNNKZCHLH-IBGZPJMESA-N 391.431 2.696 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)o1 58203382 XYZBIHNBNZZXBW-UHFFFAOYSA-N 376.438 2.545 0 40 GFAB COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)cc1COc1ccccc1F 2110269 DSBIRTBUTMGDJM-LPHOPBHVSA-N 397.406 2.825 0 40 GFAB biogenic COc1cc(Br)c(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC 12699940 BICLGWYTMONDSI-VXGBXAGGSA-N 380.238 2.918 0 40 GFAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12630492 NQZPJDWRABCQAW-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1cc(Cl)c(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1OC 10590360 USXBHIBBAQKKRN-UHFFFAOYSA-N 389.843 2.983 0 40 GFAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(F)c(F)c1 10657298 HHFNPIBAEQRPPE-UHFFFAOYSA-N 377.376 2.754 0 40 GFAB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 3349926 JVLHQLBTMKKRGB-AWEZNQCLSA-N 398.463 2.551 0 40 GFAB Nn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1C(F)(F)F 3300453 VNAYGPYLXHFHSL-UHFFFAOYSA-N 399.442 2.584 0 40 GFAB NC(=O)Cc1csc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)n1 11000296 PKFFDKUUNOGNGG-UHFFFAOYSA-N 399.451 2.627 0 40 GFAB O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)NCCc1ccc(Cl)cc1 36589935 WUWWUUPCYPAICR-MRXNPFEDSA-N 389.839 2.697 0 40 GFAB NC(=O)Nc1cccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 11146438 RUQYXGAVJLFERB-UHFFFAOYSA-N 378.388 2.953 0 40 GFAB COC(=O)c1cc(CNC(=O)CCCOc2ccc(OC)cc2)ccc1OC 12790261 OMCUZLLYXLYKBJ-UHFFFAOYSA-N 387.432 2.966 0 40 GFAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cn1 12798676 FFEOWIRFZKGFQA-UHFFFAOYSA-N 388.493 2.991 0 40 GFAB CN(Cc1ccc(Br)cc1)C(=O)Cn1c(=O)n(C)c2ccccc21 12759325 IPVAVPRZHJIMSX-UHFFFAOYSA-N 388.265 2.761 0 40 GFAB COc1cc(C(=O)N2CCN(C(=O)NCCc3ccccc3)CC2)ccc1C 48356359 IDIQKUCIMQOHMF-UHFFFAOYSA-N 381.476 2.714 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)s1 48340328 LBLUJQDYFKSRFK-ABAIWWIYSA-N 382.507 2.921 0 40 GFAB C[C@@H](NCc1ccccc1CN1CCCC1)C(=O)N1CC(=O)Nc2ccccc21 12887459 XHHPTJBAVPOQDK-QGZVFWFLSA-N 392.503 2.746 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N(C)Cc3cccc(F)c3)ccc2N1S(C)(=O)=O 12986218 MZJSYICHSRRMER-CYBMUJFWSA-N 376.453 2.809 0 40 GFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 8684866 HNHGHIMODTWYLI-UHFFFAOYSA-N 383.433 2.796 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 4165971 YACYAFOHNTVPNO-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(C)cc1 408612148 XRBLWGQXZNIWBM-ZDUSSCGKSA-N 396.896 2.640 0 40 GFAB CCc1cccc(C)c1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 5002444 UITKWOCBONRZBX-UHFFFAOYSA-N 390.461 2.691 0 40 GFAB COc1ccc(-c2cc(NC(=O)C(C)(C)C)n([C@H]3CCS(=O)(=O)C3)n2)cc1 13721318 NIRQQVXIMOCPFI-AWEZNQCLSA-N 391.493 2.903 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)c(N(C)C(C)=O)nc2ccccc21 64987535 QCPAZHFAUUBPMO-UHFFFAOYSA-N 392.459 2.889 0 40 GFAB NC(=O)c1ccsc1NC(=O)CCC(=O)NCCc1cccc(Cl)c1 8735494 QLDKJZFRFOEOMO-UHFFFAOYSA-N 379.869 2.578 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCCOc1ccc(C)cc1 8745836 OHPPVXXFCQLPAG-UHFFFAOYSA-N 390.505 2.520 0 40 GFAB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)Nc3nc4ccccc4n3C2=O)cc1 5209962 AFPSQQWYWOLPLW-QGZVFWFLSA-N 390.321 2.799 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccnc4)C[C@@H]32)cs1 306133204 MFCHAOOKZHYQOC-MOPGFXCFSA-N 379.489 2.730 0 40 GFAB CC[C@H](Sc1nnc(NC(C)=O)s1)C(=O)Nc1nnc(C(C)C)s1 9227585 NDPPAGKRLOYDET-QMMMGPOBSA-N 386.528 2.981 0 40 GFAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nncs1 4816382 XUDWXEZBVIVLLP-UHFFFAOYSA-N 396.885 2.630 0 40 GFAB COc1ccc(CCN(C)S(=O)(=O)c2cccc3nsnc23)cc1OC 19078942 LOELTIRWEDZFKF-UHFFFAOYSA-N 393.490 2.572 0 40 GFAB CCOC(=O)N1CCN(C(=O)COC(=O)c2cc3cc(Cl)ccc3o2)CC1 7378412 FELHBNSMJXWYDK-UHFFFAOYSA-N 394.811 2.544 0 40 GFAB Cc1csc2nc(CSCc3cc(=O)n4c(C)csc4n3)cc(=O)n12 9217412 LNVPTKYXPJISMM-UHFFFAOYSA-N 390.515 2.876 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 7454001 WIDYVLVFEXSOSZ-UHFFFAOYSA-N 398.294 2.853 0 40 GFAB CCOC(=O)[C@@H](Sc1nnnn1-c1ccc(C(=O)O)cc1)c1ccccc1 15869155 WXTFHOXAMGMETE-HNNXBMFYSA-N 384.417 2.757 0 40 GFAB CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8156462 HSSFBGGESLWFFU-NRFANRHFSA-N 397.500 2.880 0 40 GFAB Cc1cc(CSc2ccccc2C(=O)N2CCN(C(=O)C3CC3)CC2)no1 9385645 VKUCTOXZORYMJC-UHFFFAOYSA-N 385.489 2.970 0 40 GFAB COc1cccc(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 21143438 BPVIHNMQGKATBQ-QGZVFWFLSA-N 384.432 2.622 0 40 GFAB CCOC(=O)c1n[nH]c([C@@H](OC(=O)c2cc(C(C)C)nn2C)c2ccccc2)n1 95447822 QPBQDXFKRCRWGB-INIZCTEOSA-N 397.435 2.785 0 40 GFAB COCCOc1cccc(C(=O)N[C@](C)(C(=O)O)c2cc(F)ccc2F)c1 95424525 VOUUTQVJDSEQHW-IBGZPJMESA-N 379.359 2.720 0 40 GFAB CCOc1cc2c(cc1OCC)CN(S(=O)(=O)c1cn(C)c(Cl)n1)CC2 95971794 WNGGUCPQOGLRHT-UHFFFAOYSA-N 399.900 2.618 0 40 GFAB Cc1cc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n2ncnc2n1 95999561 UJBWUUGAACACIP-HNNXBMFYSA-N 394.483 2.669 0 40 GFAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 306140083 UJLUYXZEWQSILU-UHFFFAOYSA-N 396.539 2.678 0 40 GFAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(Cc4ccc(F)cc4)C3)ccnc12 306130013 ITYQRUFEZCBNLH-MRXNPFEDSA-N 381.455 2.950 0 40 GFAB O=C(Cc1noc2ccccc12)N1CCN(c2ccc(-c3ccco3)nn2)CC1 38488041 JXPQLTVACRNLQK-UHFFFAOYSA-N 389.415 2.769 0 40 GFAB Cc1ccc([C@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1C 72344552 LBRDXZBYXKZNFQ-OAQYLSRUSA-N 383.536 2.767 0 40 GFAB COC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218109704 JHEDPLCZGSRVMN-AABGKKOBSA-N 375.490 2.535 0 40 GFAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)CCc1ccc(S(C)(=O)=O)cc1 225600717 QKIZJFTUGRNREA-OAHLLOKOSA-N 387.501 2.705 0 40 GFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(O[C@@H]2CCSC2)nc1 225712107 OLZDVHYGDXUYNB-OAHLLOKOSA-N 382.445 2.946 0 40 GFAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@H](N2C(=O)COC2=O)C1 225702216 BDMOOWSBFXDNNM-SFHVURJKSA-N 378.428 2.788 0 40 GFAB CCOc1cccc(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220179286 UFOOVKOBYPNUDN-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB COc1cccc(CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222437835 FINFRJIZLHUILY-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 223044846 CDEIKIJMJLTAIE-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC[C@@H](C)N2CCOCC2)s1 46268442 NQOVCBGIZOZWKN-CYBMUJFWSA-N 377.485 2.637 0 40 GFAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 224190704 AMYQZBVELDWCOX-UHFFFAOYSA-N 382.489 2.997 0 40 GFAB Cc1ccc(CN(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 225458537 CECMFVBLWUKQIU-UHFFFAOYSA-N 398.594 2.939 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCCc1c[nH]c3ccccc13)CS2 90609789 ZPXJIQXOPSNUFY-HNNXBMFYSA-N 396.516 2.676 0 40 GFAB Cc1cc(CNC(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)cc(C)n1 578856131 FUPKJTOGXXDSKT-LJQANCHMSA-N 392.463 2.562 0 40 GFAB CCOCCCNC(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn23)n1 96038113 MQHFQOHVBVPNDH-UHFFFAOYSA-N 392.463 2.682 0 40 GFAB Cc1ccc(C(=O)N2CCN(/C=C/c3ccccc3)CC2)cc1NS(C)(=O)=O 95481731 JRXQMQURUHRTSY-ZHACJKMWSA-N 399.516 2.795 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc12 96242158 RDCZCCNFHRLGCN-MRXNPFEDSA-N 390.549 2.916 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237913 KIHQVYQATMQUST-QFIPXVFZSA-N 381.451 2.697 0 40 GFAB C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@H]2CC[C@H]1C2 245237844 ZARGVBGIFOXWHK-XVGHKODSSA-N 390.524 2.909 0 40 GFAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3)C2)c1F 245060719 PXRKLMOAOUASFV-LBPRGKRZSA-N 385.848 2.674 0 40 GFAB Nc1ccc(-c2cccc([C@H]3CN(C(=O)COc4ccccc4)CCO3)n2)cn1 257330941 XQSDWVAWUVBJCG-HXUWFJFHSA-N 390.443 2.705 0 40 GFAB O=C(O)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc21 669435287 AQUWTVWLYMKOAK-RDJZCZTQSA-N 385.464 2.519 0 40 GFAB COC(=O)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1 90567492 OQBGIFRSHAYUIU-UHFFFAOYSA-N 394.415 2.603 0 40 GFAB CCc1csc([C@@H]2CCCN(S(=O)(=O)c3cnc(C)c(C(=O)O)c3)C2)n1 567804638 RBZZXMUYBIHHRZ-GFCCVEGCSA-N 395.506 2.675 0 40 GFAB CCCNC(=O)[C@H]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 92734159 VFMOBCLUEJYXQS-FQEVSTJZSA-N 386.584 2.955 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1F 1615157158 JAKLKIVRFBHCOL-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 5745391 IFAZQJQYABSZAA-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(OCC(F)(F)F)nc1 11531174 MEGJTBCAVRLWPR-UHFFFAOYSA-N 397.353 2.650 0 40 GFAB O=C(c1cc(F)ccc1F)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084968 FVAMLRDFUVMAJC-GFCCVEGCSA-N 375.404 2.985 0 40 GFAB CCc1nn(CC(=O)N[C@H](C)c2ccccn2)c(=O)c2cc3sccc3n12 12088758 WYEJXTQZOFLLFO-GFCCVEGCSA-N 381.461 2.546 0 40 GFAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCn2cncn2)cc1 12145602 FQAVKXPGLZPQHC-GOSISDBHSA-N 394.479 2.692 0 40 GFAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)=O)C1 12157287 HFKKQYPOBUYVBE-FOIQADDNSA-N 376.428 2.901 0 40 GFAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)c1ccccn1 19400350 CSAZYQPPSNTUFA-UHFFFAOYSA-N 376.445 2.894 0 40 GFAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1)c1ccc2c(c1)CCCO2 19458849 NYQKBGRPMYVAJC-HNAYVOBHSA-N 379.460 2.633 0 40 GFAB O=C(c1cc[nH]n1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19695728 ABMUZLDTSSPRAD-IBGZPJMESA-N 378.476 2.867 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)C2=O 19715375 FDCATAOZGOLFPN-RPYGNYITSA-N 399.491 2.906 0 40 GFAB COCC(=O)N1CCC[C@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236794 PAKPTZKICUOCIO-LAUBAEHRSA-N 381.476 2.746 0 40 GFAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)[C@H]4CCOC4)CC3)ccc2n1 1888853909 UBKINTNTKQWNHS-INIZCTEOSA-N 386.496 2.681 0 40 GFAB Cc1nc(N2CCC(CN(C)c3ncnc(C)c3F)CC2)c2ccncc2n1 1888897640 IKBZOBXWNZBFLH-UHFFFAOYSA-N 381.459 2.924 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 5087092 NRJCFVBBMQQPBN-IRXDYDNUSA-N 395.503 2.951 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2C1=O 9828219 HOYPOHDBASMRHQ-UHFFFAOYSA-N 378.425 2.789 0 40 GFAB O=C1CN(c2ncnc3ccsc23)CCN1c1ccnc(C(F)(F)F)c1 2086889773 ZMUYTXRGBKMXDR-UHFFFAOYSA-N 379.367 2.958 0 40 GFAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1)C1CCCC1 36657878 DJFOFRQRDUGCRO-UHFFFAOYSA-N 399.520 2.558 0 40 GFAB O=S(=O)(CCc1ccccc1)NCCCN1CCO[C@H](c2ccccc2)C1 36700289 NDBPHVDSMWNVOQ-NRFANRHFSA-N 388.533 2.612 0 40 GFAB CCOc1ccccc1NC(=O)NCc1nc(N(C)C)nc(N2CCCCC2)n1 575605516 BLIXODLHZUYXCJ-UHFFFAOYSA-N 399.499 2.648 0 40 GFAB NCCn1nc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2cccnc21 19293366 JCQMGMNSAZXZHI-MRXNPFEDSA-N 397.910 2.992 0 40 GFAB O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)c2cccnc2S)CC1 40087354 NTVLYWWYAHLEKC-UHFFFAOYSA-N 395.406 2.987 0 40 GFAB O=C(NCCc1ccc(Cl)cc1)c1nc(N2CCOCC2)ncc1Cl 40123105 YHTVPWNDZBAOCZ-UHFFFAOYSA-N 381.263 2.593 0 40 GFAB CN(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1Cl 40152528 WCYVRXRCAUOHKG-UHFFFAOYSA-N 399.875 2.804 0 40 GFAB COc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc(OC)c1OC 20427292 QZSOJOIIGOOWRR-BEFAXECRSA-N 384.432 2.871 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 8231127 KBROMCJHAZVYRD-UHFFFAOYSA-N 387.505 2.965 0 40 GFAB COCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 2624716 MLYWTCBWAAPUMM-UHFFFAOYSA-N 387.440 2.856 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1ccccc1 3323185 CAYZCMXTONVHFU-UHFFFAOYSA-N 375.856 2.535 0 40 GFAB COc1cc2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[nH]c2cc1OC 4089970 WUVJTPYFDIRIFF-HIFRSBDPSA-N 393.443 2.606 0 40 GFAB biogenic CCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(OC)c3)[C@@H]2C1=O 4539441 NYPLHDDUBFFRLX-FHWLQOOXSA-N 382.416 2.657 0 40 GFAB Cc1cc(OCC(=O)Nc2ccc(CS(N)(=O)=O)cc2)ccc1C(C)C 32754323 NUGXHDJVXKUWCP-UHFFFAOYSA-N 376.478 2.924 0 40 GFAB CCc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3sc(C)cc3n12 6749442 FDEOSEMGARWGEQ-UHFFFAOYSA-N 386.502 2.959 0 40 GFAB O=C(Nc1ccc(F)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8291773 YSFPOIKJRCARCF-UHFFFAOYSA-N 387.436 2.625 0 40 GFAB CCOC(=O)C1=C(CSc2nccn2Cc2ccccc2)NC(=O)N[C@@H]1C 32954492 FEFLMKNWRXQUTG-CYBMUJFWSA-N 386.477 2.542 0 40 GFAB C[C@@]1(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCS(=O)(=O)C1 32942133 WVUSXKHYJNSIGJ-HXUWFJFHSA-N 387.505 2.584 0 40 GFAB CC(=O)c1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(F)c1 52686836 ZOFFTBYBVJNCHU-UHFFFAOYSA-N 380.423 2.587 0 40 GFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2ccccc2)cc1 639981 HZFUPWRFCXZKAF-LJQANCHMSA-N 395.415 2.505 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCn1cnc2ccccc2c1=O 24597098 VSQPVXCDNZZOSC-UHFFFAOYSA-N 392.459 2.501 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)ccn1 47014203 ZFFMKXVCDIKYSY-UHFFFAOYSA-N 393.472 2.940 0 40 GFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc3c(cc2OCC)OCO3)C1=O 981289 KMXYCFJFTPKVEW-CBQSTYFFSA-N 393.417 2.802 0 40 GFAB COc1ccc([C@@H](NS(=O)(=O)c2ccccc2F)c2nccn2C)cc1 24712055 QXQUEHXZCROFEI-QGZVFWFLSA-N 375.425 2.636 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20730611 JKFBPTMUDNBMTC-UHFFFAOYSA-N 378.384 2.874 0 40 GFAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 10233523 TXTRACQBUVATIK-AWEZNQCLSA-N 379.464 2.786 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 10369505 JDBGRTDOMXFOLL-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 28609437 MIOXYBHBLIPLNQ-QGZVFWFLSA-N 396.443 2.534 0 40 GFAB Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C)n1ccnc1 58224798 LXQYTFGHCCXIMY-GFCCVEGCSA-N 379.258 2.660 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 27742211 JYXJNWVEBZRYKU-SFHVURJKSA-N 389.540 2.529 0 40 GFAB CCOC(=O)CN(CCOC)Cn1nc(-c2ccc(CC)cc2)[nH]c1=S 36398268 LGOQKXUOOFPYCL-UHFFFAOYSA-N 378.498 2.639 0 40 GFAB COc1cc(CC(=O)NCCn2c(C)nc3ccccc32)cc(OC)c1OC 10737219 PXCSARDJGXBCEW-UHFFFAOYSA-N 383.448 2.729 0 40 GFAB CCN(CC)[C@@H](CNC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1 48287245 SPUCDMQROYFJQD-NRFANRHFSA-N 392.503 2.940 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)NCc2cc(Br)cs2)cc1 48355452 YOHDRPSRRZXCGJ-UHFFFAOYSA-N 397.294 2.956 0 40 GFAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc2[nH]c(=O)[nH]c2c1 12804635 SSZIUZVRGTUIGJ-UHFFFAOYSA-N 379.294 2.671 0 40 GFAB O=C1CCCN1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 3465839 WHPCLYMLIKYTMR-UHFFFAOYSA-N 382.445 2.828 0 40 GFAB CCCn1nc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc2c1=O 3563146 UUAVMCJEKKDPFB-GASCZTMLSA-N 385.464 2.753 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1 12993600 NWKJWFSBSZPNBD-UHFFFAOYSA-N 390.443 2.560 0 40 GFAB O=C(O)c1csc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c1 13278733 MGDMQBYPQIRBBW-UHFFFAOYSA-N 375.811 2.672 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3COCCO3)c(C(F)(F)F)c2)n1 63332415 NNBWRBKGFANLQU-MRXNPFEDSA-N 383.370 2.540 0 40 GFAB O=C(CSc1nnc2[nH]c3ccccc3n12)c1c[nH]c(C(=O)N2CCCC2)c1 8487834 MUJCWEJWLFWVHI-UHFFFAOYSA-N 394.460 2.750 0 40 GFAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)ccc1O 4066255 OCLAEXSLUHQNJU-LJQANCHMSA-N 398.415 2.651 0 40 GFAB CCc1nc2cc3c(cc2n1CC(=O)NCc1ccccc1OC)OCCO3 64795086 CDPRJYZSWXZAJM-UHFFFAOYSA-N 381.432 2.695 0 40 GFAB O=C(NCc1cc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)o1 65548362 SCMMZSMYYXCQNP-UHFFFAOYSA-N 387.461 2.866 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)NCCCc2ccccc2)n1N 6458319 RAXYOXKVDPRBMK-UHFFFAOYSA-N 397.504 2.509 0 40 GFAB CC(C)NC(=O)[C@H](C)Sc1nnc(S[C@@H](C)C(=O)NC(C)C)s1 14198838 JZILZLVMIWOBKQ-UWVGGRQHSA-N 376.573 2.549 0 40 GFAB CC(C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)NC1=S 8738260 SCUJNEBFSBCZLW-BEFAXECRSA-N 391.924 2.893 0 40 GFAB Cc1cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccco3)c(=O)c2[nH]1 67236206 LHBNFJDQGSGUBD-UHFFFAOYSA-N 398.444 2.676 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccccc1Cl 8985262 VEZBZCBTLOJUFX-AWEZNQCLSA-N 387.867 2.830 0 40 GFAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc2c(c1)OCCO2 7346047 SOVAMTLEARGXJF-UHFFFAOYSA-N 397.456 2.560 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16025232 FVKQFELKGIGCNI-ULMVMLMRSA-N 389.883 2.517 0 40 GFAB C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 16108901 IMLZDCXXNWUAEB-CQSZACIVSA-N 386.473 2.708 0 40 GFAB CC(C)OCCCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 71284007 OWSMLWIWXLVSNG-UHFFFAOYSA-N 388.917 2.815 0 40 GFAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)NC2(CCCC2)C1=O 8194484 YSNUPRJZARWXQA-OAHLLOKOSA-N 384.480 2.869 0 40 GFAB O=C(NCCCCCc1nnc2ccccn12)c1cc(-c2ccccn2)n[nH]1 96118201 NOKVHUNVBDGXHB-UHFFFAOYSA-N 375.436 2.657 0 40 GFAB Cc1cccc(-n2ccnc2SCC(=O)NCc2nnc3ccccn23)c1C 9377177 ZFOQRGWWOZKCQF-UHFFFAOYSA-N 392.488 2.940 0 40 GFAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cn1 19822762 JMVAIMMAORLNJM-UHFFFAOYSA-N 389.658 2.910 0 40 GFAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc2cccnc12 9865054 QPYJCPBZJOKFGF-SFHVURJKSA-N 381.457 2.560 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Oc1cccc(-n2cnnn2)c1 95454489 DQYCUGOINKZVNI-UHFFFAOYSA-N 385.232 2.878 0 40 GFAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3noc(C)n3)c2C)c1 95999880 UUDWOLVAAJLRAP-SFHVURJKSA-N 383.452 2.763 0 40 GFAB CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C[C@@H]1O 95993314 HRNBQTRDEHEKDM-YPMHNXCESA-N 376.316 2.867 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl 408555481 XERQGOBEOWAVQY-OLZOCXBDSA-N 396.896 2.893 0 40 GFAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 36646224 CLVAFDIWJOOENF-UHFFFAOYSA-N 381.461 2.790 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1F)C(C)C 36596219 QJSPLSJELCNWKJ-WBVHZDCISA-N 392.406 2.543 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC 408697128 HSTUZRMJSRDGKA-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB CCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 32646885 DMKCBKYLRPFPME-UHFFFAOYSA-N 380.404 2.618 0 40 GFAB CCOC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(CO)cc(=O)c1O 71284487 UTFZJOKKOLWKHH-ZDUSSCGKSA-N 384.331 2.524 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1C 70655846 ZDXZPWKABHARGJ-UHFFFAOYSA-N 397.500 2.814 0 40 GFAB C[C@@H]1CN(C(=O)Nc2cc(-c3ccsc3)nn2C)C[C@]2(CCO[C@@H]2C)O1 564286673 XHNRCXYBUIKERJ-VFVRVIDISA-N 376.482 2.949 0 40 GFAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 562602614 RNPHCGVUHRRLAT-BBRMVZONSA-N 386.481 2.924 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222406440 MDXBWUHPKOVQNL-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB O=C(CSc1ncnc2ccsc12)NCCc1ccc2c(c1)OCCO2 40034370 ZDFIXZTVXFSZMD-UHFFFAOYSA-N 387.486 2.914 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1C 223891109 IFVZYRBNGNZYCA-INIZCTEOSA-N 392.496 2.956 0 40 GFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1F 225391483 GNCLVKGDUBXEIT-UHFFFAOYSA-N 396.440 2.782 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 223548324 FTPFJYWTWXPPER-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCO2 222485345 VZVJRVKUVOGAIP-INIZCTEOSA-N 382.460 2.820 0 40 GFAB O=C1NCCN(C(=O)c2c[nH]c3ncccc23)[C@H]1c1ccc(C(F)(F)F)cc1 534033318 IEMBKUASKXAENB-HNNXBMFYSA-N 388.349 2.895 0 40 GFAB Cc1ncc(-c2ccc(C[C@H]3CCCN(CC4(O)CCOCC4)C3)cn2)n1C 257223951 DZQJMDIUUBGDLH-LJQANCHMSA-N 384.524 2.587 0 40 GFAB CC(=O)N1CCC(Cc2cc(N3C(=O)OC[C@@H]3Cc3ccccc3)ncn2)CC1 257201180 AGRBTHPKQIMDFS-FQEVSTJZSA-N 394.475 2.846 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 250668954 KIEPQVIROGFTKR-ABAIWWIYSA-N 399.274 2.900 0 40 GFAB CCc1c(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)[nH]c2ccc(C)cc12 257223674 DYKHXOSZGFVECU-KCZVDYSFSA-N 399.535 2.725 0 40 GFAB O=C(O)C[C@@H](NC(=O)c1nc[nH]c2nccc1-2)c1ccc(Br)cc1 1601906797 FSOPVDVKYHLXNE-GFCCVEGCSA-N 389.209 2.618 0 40 GFAB CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 260840634 WVZWHNOPCKEVFI-YWZLYKJASA-N 386.473 2.941 0 40 GFAB COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](C(=O)O)[C@@H](C)C1)N1CCCC1 626744067 BDACCZGYWNHVSN-JZXOWHBKSA-N 389.496 2.584 0 40 GFAB COc1ccc2c(c1)CN(C(=O)N[C@H]1C[C@@H](C(N)=O)C1)[C@@H](c1ccccc1)C2 651271354 YRKHVKOHGCSPHO-IMFGXOCKSA-N 379.460 2.768 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(Cc2cnc3ccccn23)CC1 90609409 RZKCBQARINBNKR-UHFFFAOYSA-N 392.488 2.744 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 56154882 IAHORQFWXRXBID-SNVBAGLBSA-N 376.388 2.626 0 40 GFAB Cc1ccccc1CC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154560 FYXQXEYFQJSQFC-QHCPKHFHSA-N 378.472 2.962 0 40 GFAB CCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 5716093 SBTKXBZQCNCAEP-UHFFFAOYSA-N 380.897 2.710 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc[nH]1)c1ccccc1 5990048 AFIQBTRSLFIRHD-IBGZPJMESA-N 376.412 2.782 0 40 GFAB O=S(=O)(c1ccccc1F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695323 BCJDHQZEQBKWGS-UHFFFAOYSA-N 398.463 2.794 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 14155290 ULNRZZTVDDPQNK-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB CCCc1nn2c(=O)cc(COC(=O)COc3ccc(Cl)cc3)nc2s1 15734265 IBVDIQBOTDPIOU-UHFFFAOYSA-N 393.852 2.879 0 40 GFAB COCc1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 19018562 JBLGKGCIKLSBRG-HXUWFJFHSA-N 394.475 2.505 0 40 GFAB c1cncc(CN(CCCN2CCOCC2)Cc2cccn2-c2ccncc2)c1 19338594 ZCMYJKBDJCRSBV-UHFFFAOYSA-N 391.519 2.992 0 40 GFAB C[C@H]1Cc2cc([C@@H](O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 19498024 LRUZEEAIBABYPH-JXFKEZNVSA-N 396.487 2.590 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 19712802 YOLHUULBCXICQM-JQVVWYNYSA-N 398.482 2.762 0 40 GFAB CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)nc2ccccc12 19754659 DMZKIUOMBNBVKG-MRXNPFEDSA-N 388.471 2.890 0 40 GFAB C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 6295365 JLDPAXKQUMFEMF-LGMDPLHJSA-N 384.457 2.747 0 40 GFAB Cc1nc2c(C)cccc2cc1C(=O)NCCS(=O)(=O)NC1CCCCC1 12198725 GDXMKSKTJDCTEL-UHFFFAOYSA-N 389.521 2.834 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@@H]([C@H]2CC(=O)c3cc(F)ccc3O2)C1 12753798 GYHGAFMZYMGYCO-BDJLRTHQSA-N 375.425 2.872 0 40 GFAB Cc1ccc2c(c1Br)CN(C(=O)N[C@H]1C[C@H]3CCCCN3C1=O)C2 661298286 AXAWJMGAWMYBQX-HIFRSBDPSA-N 392.297 2.936 0 40 GFAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1Cl 10446421 IETPWZSJKLNAPE-UHFFFAOYSA-N 399.878 2.947 0 40 GFAB COc1ccc(C)c2sc(N3CCO[C@@H](C(=O)N4CCCCC4)C3)nc12 1888863777 NJFNABAASHKAIZ-OAHLLOKOSA-N 375.494 2.831 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccc(N(C)C)cc5)C[C@H]4C3)n1)CCC2 1888890251 RRGKIGDKPYMEOU-QZTJIDSGSA-N 391.519 2.548 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 244914789 BDWSOTPSALEINW-GFCCVEGCSA-N 396.428 2.722 0 40 GFAB COc1ccc(CNC(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1OC 244998805 KUHJITHGLKGGDP-WKILWMFISA-N 386.452 2.683 0 40 GFAB Cc1nc(CN2CC[C@@H]3CN(C(=O)c4ncnc(C)c4C)C[C@@H]3CC2)cs1 2056223549 RJFCCVMWRNIKAA-CALCHBBNSA-N 385.537 2.843 0 40 GFAB COc1ccc(CNC(=O)NC[C@]2(O)CSCc3ccccc32)cc1OC 2087165808 PFJYJDCCDCIGKD-FQEVSTJZSA-N 388.489 2.638 0 40 GFAB COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1 4497744 IOWUDJQOZKRGON-KRWDZBQOSA-N 396.468 2.932 0 40 GFAB COc1ccc(CCNC(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 9067046 ONGBJXILNFWDAM-SFHVURJKSA-N 399.466 2.725 0 40 GFAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 10063727 QFVSRWMHNAOOBM-UHFFFAOYSA-N 387.461 2.663 0 40 GFAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc(F)cc1 17178440 XGQWFHLGMSRYCZ-HXUWFJFHSA-N 399.466 2.734 0 40 GFAB O=C(NCc1cc(-c2ccco2)on1)c1ccccc1S(=O)(=O)C(F)F 36662477 CFMFNHSQPNSJSY-UHFFFAOYSA-N 382.344 2.861 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)[C@H]2CCCN(c3cc4c(nn3)CCC4)C2)c1 585150482 OACJRMIJXRYGOL-IBGZPJMESA-N 394.519 2.994 0 40 GFAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30506958 MWJVPMJAMGNZSA-CYBMUJFWSA-N 382.342 2.658 0 40 GFAB COc1cc([C@@H]2CC(=O)NC3=NC(=O)N(c4ccccc4)[C@@H]32)cc(OC)c1OC 100251083 BDBILAUCZYGTAO-KBXCAEBGSA-N 395.415 2.723 0 40 GFAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cccc(F)c1 51316701 KEDYLCZKKFIFOV-UHFFFAOYSA-N 395.419 2.979 0 40 GFAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1=O 8280425 PSVKJNXQRPHVOC-IBGZPJMESA-N 397.460 2.722 0 40 GFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C1=O 2661179 GLFUDUUAFCUSLQ-JOCHJYFZSA-N 395.459 2.559 0 40 GFAB CC(C)N1C(=O)C[C@@H](Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1=O 101455139 KHRWGYDFTNJBEY-LLVKDONJSA-N 379.342 2.505 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)NC1(C(F)(F)F)Oc2ccccc2O1 2725286 UBWCDBRWDKSHAQ-UHFFFAOYSA-N 382.294 2.902 0 40 GFAB O=C(NCCc1nc2cc(Cl)ccc2[nH]1)c1nn2cccnc2c1Cl 2790878 SUOWWCLNWVQCGF-UHFFFAOYSA-N 375.219 2.885 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)nc2n1 2660382 PWMNUZWNLAMJRQ-UHFFFAOYSA-N 395.463 2.725 0 40 GFAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1 32777633 KOJVZDOITFBEGC-UHFFFAOYSA-N 380.404 2.581 0 40 GFAB Cc1ccc(F)cc1CN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 108531563 PTSFKHLYTOSBPR-GOSISDBHSA-N 396.528 2.730 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 10165470 PHACROCKHGXCED-UHFFFAOYSA-N 382.460 2.748 0 40 GFAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 8231357 MJAMUMXPYBLFPD-LBPRGKRZSA-N 385.445 2.788 0 40 GFAB Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC(=O)NCc1ccco1 32988604 LKPNHQDCPFGZGK-UHFFFAOYSA-N 397.431 2.852 0 40 GFAB Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Br)c(C)c1 12111572 XORUXCFKZKCBOF-UHFFFAOYSA-N 384.255 2.512 0 40 GFAB O=C(NC[C@]1(N2CCOCC2)CCSC1)C1(c2cccc(Cl)c2)CC1 41408334 MFTTVMJNFDGWGD-GOSISDBHSA-N 380.941 2.696 0 40 GFAB COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(OC)c1C 22375547 GWBOACMHTMBVDU-UHFFFAOYSA-N 376.497 2.777 0 40 GFAB O=C(CSCc1cccnc1)N1CCN(C(=O)NC2CCCCC2)CC1 53797455 CNDDISYCVDDLIL-UHFFFAOYSA-N 376.526 2.501 0 40 GFAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1cccc(C(N)=O)c1 53848841 HKIMRKZFANVDSE-SNVBAGLBSA-N 395.242 2.954 0 40 GFAB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670438 KJYWNIJDMWPQEF-VQTJNVASSA-N 384.528 2.906 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c12 24499254 SRGNRFKDXIBTMN-UHFFFAOYSA-N 399.495 2.847 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc2[nH]ccc12 61718329 BLFSOHJTRLUFOS-UHFFFAOYSA-N 383.473 2.751 0 40 GFAB CSc1ccccc1N1CCN(CC[C@H]2Oc3cccnc3NC2=O)CC1 1395269 OXRDTXWCAFUSPL-QGZVFWFLSA-N 384.505 2.715 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1 24986051 MKDURPPZCDICKN-FQEVSTJZSA-N 379.504 2.986 0 40 GFAB Cc1sc2ncn(CC(=O)N[C@H](C)c3nc4ccccc4[nH]3)c(=O)c2c1C 12507775 CQODAOTVSRHDTA-LLVKDONJSA-N 381.461 2.829 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc2ccccc2[nH]1 12559573 UZVLCIBNLHUUSU-UHFFFAOYSA-N 375.432 2.781 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 115584204 QMPWBRXPGTYCOQ-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092939 VCHULGRMZLQLLR-HDMKZQKVSA-N 394.349 2.805 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)sc3=S)CC2)c(C)c1 25765331 YMTXWMCIWYGBDP-UHFFFAOYSA-N 398.579 2.563 0 40 GFAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(=O)[nH]c2ccccc12 26125437 WTVSWDVXVKWYJB-UHFFFAOYSA-N 375.428 2.693 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472847 PYKRKEKSMWINQJ-CQSZACIVSA-N 399.878 2.780 0 40 GFAB COc1cccc([C@@H](C)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 108455676 BZHZTMHKFVBXPI-JRGCBEDISA-N 379.504 2.945 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O)c1ccc(F)cc1 58218832 XRNZHQURTLUKMI-ZMZPIMSZSA-N 375.425 2.532 0 40 GFAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408551280 HDOGCZAWSRWZSW-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB O=c1/c(=C\C2=Cc3ccccc3OC2)sc2nc(-c3ccc(F)cc3)nn12 2263642 FILZNHBVPHVZEF-LICLKQGHSA-N 377.400 2.933 0 40 GFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(C)=O)cc1 10586787 FDSKYNNWQLGPBJ-CQSZACIVSA-N 391.445 2.655 0 40 GFAB Cc1ccnc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)n1 3346229 FPRDRZPQODIDPB-UHFFFAOYSA-N 383.477 2.882 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nnnn2C(C)C)cc1 11266114 XLIPEJLBOLVZEV-JXMROGBWSA-N 375.454 2.561 0 40 GFAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2cccc(Cl)c2)c2ccccc2O1 11228779 VQDPYLWFYLEQRY-GOSISDBHSA-N 388.851 2.739 0 40 GFAB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12768428 GSLNUMLPMGUBFH-UHFFFAOYSA-N 396.509 2.647 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3=NCCS3)c2)cc1 12750500 MLRASESNEAPJIR-UHFFFAOYSA-N 389.502 2.937 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CCNC(=O)NCc3ccccc3)cnc21 12761901 INOLVZQRUSNZCT-UHFFFAOYSA-N 380.452 2.840 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)c2cncc(Br)c2)c1 3488712 RVIGLCJQNZTAFR-UHFFFAOYSA-N 395.209 2.657 0 40 GFAB C[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 113968380 OECARAIRQCYIQH-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc2c(=O)n3c(nc2c1)CCC3 3536228 UPNIQLKZMJOQER-UHFFFAOYSA-N 394.412 2.811 0 40 GFAB C[C@H](C(=O)NC(N)=O)N(C)Cc1ccc(OCc2ccc(Cl)cc2)cc1 12905603 LFJXQANBSOCGGC-CYBMUJFWSA-N 375.856 2.934 0 40 GFAB Cn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1C(N)=O 12914823 WULPFNNPEZCBGP-UHFFFAOYSA-N 397.500 2.558 0 40 GFAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1OC 6155366 HEZZHYDUJJWOQM-CYBMUJFWSA-N 399.241 2.657 0 40 GFAB Cc1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(=O)n(-c2ccccc2)n1C 8749261 JRMFGGRQACHOJE-INIZCTEOSA-N 394.406 2.688 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)/C=C/c2cc(OC)ccc2OC)cc1 8754548 WQEXOXWECAYKRY-NYYWCZLTSA-N 384.432 2.634 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 14085095 MRNQIWDCTGZPLO-CYBMUJFWSA-N 391.493 2.893 0 40 GFAB COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)c(OC)c1 5348245 XWOXGIHKWKFTOZ-LJQANCHMSA-N 384.388 2.607 0 40 GFAB COc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 20237431 WTMAFSMPGRVDNU-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1 6608108 DZRJXHDBHUWONM-ZDUSSCGKSA-N 394.460 2.518 0 40 GFAB O=C(Nc1ccc(I)cc1)c1n[nH]c(=O)c2ccccc12 6657894 RKOGEGQQGFETDD-UHFFFAOYSA-N 391.168 2.780 0 40 GFAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1C(=O)NC1CC1 4836066 XDNVWFVIQNERHW-UHFFFAOYSA-N 384.417 2.953 0 40 GFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NC[C@@H]1COc2ccccc2O1 6998402 PIQDMUNQHPBNPU-MRXNPFEDSA-N 388.851 2.806 0 40 GFAB O=C(Nc1c(F)cccc1N1CCCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 67168025 RRHSUPZLIGLTOA-HNNXBMFYSA-N 382.439 2.808 0 40 GFAB CC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(F)c1 7019092 YCRXWGCDUCHBKU-UHFFFAOYSA-N 375.400 2.612 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc(N3CCCCC3)nc2N)cc1Cl 67336056 SVOZMEIPGJYBNQ-UHFFFAOYSA-N 382.873 2.544 0 40 GFAB CCCCC[C@H](C)NC(=O)Cn1cnc2oc(C)c(C(=O)OCC)c2c1=O 7554881 AQTMYGXOZXHXQV-LBPRGKRZSA-N 377.441 2.560 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc(OCC)cc3)c(=O)c12 7553833 BFGADRBENOBARZ-UHFFFAOYSA-N 384.388 2.756 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)s1 7698919 JTEKOVUWTFZWPP-INIZCTEOSA-N 386.473 2.523 0 40 GFAB O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccc4c(c3)OCO4)c12 9053563 KAKMFEALUATGIF-UHFFFAOYSA-N 387.395 2.723 0 40 GFAB COc1ccc(-c2noc(Cn3c(C)nc4ccccc4c3=O)n2)cc1OC 9340879 RWTUWILUNXYGGA-UHFFFAOYSA-N 378.388 2.820 0 40 GFAB O=C(Cn1nnc(-c2ccsc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9578305 MIASJBGOURWAFW-HNNXBMFYSA-N 397.460 2.537 0 40 GFAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)CN2CCCC2=O)c(C(F)(F)F)c1 71808664 DCELUAMFMGPKHK-JTQLQIEISA-N 386.374 2.796 0 40 GFAB O=C(COC(=O)c1ccc(Cl)nc1)NCc1ccccc1Br 72330793 DBGOZGWPOVXAGN-UHFFFAOYSA-N 383.629 2.971 0 40 GFAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1Cn1ccnn1 95469256 VOGWUXQBQWRKGU-OAHLLOKOSA-N 388.415 2.681 0 40 GFAB CN(c1ccc(CNC(=O)Nc2ccc(F)c(F)c2F)cc1)S(C)(=O)=O 95958282 VAEPAMJZJQMTAS-UHFFFAOYSA-N 387.383 2.821 0 40 GFAB COCCOc1nc(-c2ccccc2)nc2c1CCN(Cc1nccn1C)CC2 306145007 ZUPKHHDNNLTMGE-UHFFFAOYSA-N 393.491 2.503 0 40 GFAB O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306140047 UIFQRKLAPBZBPY-RHSMWYFYSA-N 398.532 2.597 0 40 GFAB CCn1nccc1[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619027 SRSNDPYZPGCFGP-LBPRGKRZSA-N 379.399 2.638 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 216274401 RBSWZHLOFCIUNY-UHFFFAOYSA-N 397.836 2.855 0 40 GFAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cncn1Cc1ccccc1)C2 72336817 GNSHUHAYFGWSQP-UHFFFAOYSA-N 398.470 2.635 0 40 GFAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1cccc(Br)c1 32930698 KZMPOMMBJYPYPL-UHFFFAOYSA-N 383.267 2.751 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)cc1 675007841 UKBCJGVFXSHWDQ-INIZCTEOSA-N 385.445 2.839 0 40 GFAB COc1ccc(C(=O)N[C@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)cc1F 77100826 HDMBOJWDZWFQOR-INIZCTEOSA-N 396.422 2.889 0 40 GFAB COC(=O)CNC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 41097960 QNWIDCWNXOHFOS-UHFFFAOYSA-N 386.260 2.979 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224136004 QEOOCZHXYDKDRE-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)nc1 223607044 VJSLXNJJYNHLTL-VQTJNVASSA-N 393.516 2.931 0 40 GFAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 40069323 GIFYWUZQOOHJBH-HNNXBMFYSA-N 379.888 2.857 0 40 GFAB O=S(=O)(NCC[C@@H](O)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 225612386 WGJPYJBJTSUPKG-GOSISDBHSA-N 391.880 2.928 0 40 GFAB CSc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1NC(C)=O 224368442 CSRXCUOBQPZJTC-UHFFFAOYSA-N 393.534 2.782 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c(C)c1 190381820 RPHSAZFIQQBHMJ-KRWDZBQOSA-N 377.487 2.809 0 40 GFAB CCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCOCC2)cc1)C1CC1 225724063 HRPUWFNOHGNIDH-OAQYLSRUSA-N 376.497 2.931 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)nn1-c1cccc(F)c1 578489837 QPMQEKJQFRIVJV-MAUKXSAKSA-N 398.442 3.095 0 40 GFAB COc1ccccc1CCNC(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1 95477059 QQTUMINQNNUGTQ-QGZVFWFLSA-N 399.882 2.868 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)c3ccc(F)cc3)C2)C1 96074335 HGMYPXZQLYHOGD-FQEVSTJZSA-N 382.395 2.611 0 40 GFAB C[C@](O)(C(=O)NCc1ccc(C(=O)O)cc1)c1ccc(F)c(Br)c1 1593375116 AUFZSJNTKSLSMN-QGZVFWFLSA-N 396.212 2.810 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230509 TUCKQRDULDVKFJ-WYADAEROSA-N 396.418 2.598 0 40 GFAB CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCNC[C@H]3C(F)F)cc2s1 585089197 LTPZOQSJTJLFHX-LBPRGKRZSA-N 389.493 2.821 0 40 GFAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)CCCn2cccn2)C1 257271082 MWSZUIAVBVUBOK-KRWDZBQOSA-N 394.479 2.816 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccccc1Cl 257199671 AAKLJHAAHNDOLL-DYVFJYSZSA-N 376.844 2.647 0 40 GFAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCN3CCCC3)CCO2)n1 257290600 QDNVFUDVZSHOAE-FQEVSTJZSA-N 398.507 2.993 0 40 GFAB NC(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1 257255857 KJDZCJPNGZNDKQ-OAQYLSRUSA-N 375.432 2.641 0 40 GFAB COc1cncc(CN2CCN(Cc3cc(Br)ccc3F)CC2)n1 625390432 XCMIXGFJCDRZJY-UHFFFAOYSA-N 395.276 2.705 0 40 GFAB O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ncccc1C(F)(F)F 648508476 GHPHWQZCFUSCOC-INIZCTEOSA-N 389.377 2.946 0 40 GFAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Cc2cccnc2)CC1 678364882 AKNZWQGASDGADH-LJQANCHMSA-N 378.476 2.851 0 40 GFAB O=C(NCc1ccc(CO)c(F)c1)Nc1cccc(-c2nnnn2C2CC2)c1 57996731 LQQLUDIZKIUUPD-UHFFFAOYSA-N 382.399 2.628 0 40 GFAB O=C(NCc1ccccc1)N1CCC(Oc2ncc(Br)cn2)CC1 1202629169 FZPMKYSRZSXJNE-UHFFFAOYSA-N 391.269 2.992 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 1615121646 NNEDMZSIPROIDL-JOCHJYFZSA-N 380.444 2.733 0 40 GFAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccncc2)C3)c(OCC)n1 12089101 HPBIAFFXIYBRAX-VSOVRNOCSA-N 398.507 2.789 0 40 GFAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc4nccnc4c2)C3)C1 12183652 NETYXWGYBBZVDO-OAHLLOKOSA-N 390.491 2.508 0 40 GFAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N4[C@@H](C)CCC[C@@H]4C)nc3c12 12276436 VZVFEJCRFFEILC-RYUDHWBXSA-N 387.509 2.766 0 40 GFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cccs1 13010406 IGZODLLGLCKFSC-UHFFFAOYSA-N 376.511 2.862 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1F 14608291 BOORDYJDEKOFBP-HNNXBMFYSA-N 380.375 2.925 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC[C@H](C(F)(F)F)C1 18233190 SNCFYVTVVGYONQ-OLZOCXBDSA-N 398.381 2.612 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)no3)ncc2C1 19452930 RGHQJYYARZMLCP-SFHVURJKSA-N 397.479 2.860 0 40 GFAB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cnc(N(C)C)nc3)C[C@@H]21 19585489 YYVYQVXDOZCAFN-LQBOVUBWSA-N 382.508 2.671 0 40 GFAB Cc1ccccc1OCCC(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 19706445 PQKCONKUZLRKII-SFHVURJKSA-N 397.523 2.597 0 40 GFAB COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O 8179245 AYHZRAXLALRDAS-NVNXTCNLSA-N 382.328 2.873 0 40 GFAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 6085452 HCMCIHRGMUIJJK-UHFFFAOYSA-N 378.475 2.779 0 40 GFAB Cc1c(Cl)cccc1C(=O)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@H]2C1 1565555103 RREBPXBPARFWBK-UZLBHIALSA-N 392.927 2.990 0 40 GFAB Cc1nc2c(=O)n(CC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)c2s1 8955524 VGTFXGCTLKEACQ-UHFFFAOYSA-N 398.419 2.877 0 40 GFAB O=C(NCc1ccc(Cl)cc1)NCc1nnnn1-c1ccc(Cl)cc1 9616275 KRNYBTPDFQGMBV-UHFFFAOYSA-N 377.235 2.969 0 40 GFAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CC(C)C)c(C)cn34)n(C)c2=O)c1 10233385 XGQYAZYKIGGWNR-UHFFFAOYSA-N 393.491 2.779 0 40 GFAB C[C@H]1Cc2cc(-c3cc(CNC(=O)CSc4ncccn4)no3)ccc2O1 36662323 GBPWZTDMXYKYLY-LBPRGKRZSA-N 382.445 2.864 0 40 GFAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC[C@@H](Oc2cnccn2)C1 219932014 IDRZSGOONPJAOD-GOSISDBHSA-N 381.457 2.986 0 40 GFAB C[C@H](C(=O)Nc1cc(OCc2ccccc2)ncn1)n1nc(C2CC2)ccc1=O 585149984 USUYTARMHHGYFP-CQSZACIVSA-N 391.431 2.689 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1 575611106 AHGKGYSFKPGONL-OAHLLOKOSA-N 392.253 2.931 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)N[C@@H](C)c2ccccc2)c1 29328089 SVLAIRWSRHAAFP-INIZCTEOSA-N 375.494 2.642 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)ccc21 30030230 AAROMIKJLXPSDI-OAQYLSRUSA-N 390.487 2.854 0 40 GFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2c(=O)oc3ccccc32)c1 40040639 VDQCOHNZGICJFH-UHFFFAOYSA-N 395.415 2.620 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](c1ccco1)N1CCCCC1 40120912 DAXYVNBMUZDRGV-QGZVFWFLSA-N 382.526 2.670 0 40 GFAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c(OC)c1 31819209 NVBWHJDGWPYABI-CYBMUJFWSA-N 381.392 2.817 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Cn2cncn2)cc1 45781107 BEGIIFORGCHZOK-IBGZPJMESA-N 379.464 2.876 0 40 GFAB CCc1nnc(NS(=O)(=O)c2cc(Br)ccc2OC)s1 11615522 RVOZVSCYRPLKNI-UHFFFAOYSA-N 378.273 2.672 0 40 GFAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCCc1ccco1 20761993 VPHRNPFOTVAQDG-UHFFFAOYSA-N 380.448 2.578 0 40 GFAB biogenic CCOc1ccc(-c2nnn(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1 1223102 LONGDVWVUZWDSG-UHFFFAOYSA-N 390.447 2.579 0 40 GFAB COc1ccc(CN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C2CC2)cc1 32781613 IELWONCPANULGL-FQEVSTJZSA-N 379.460 2.780 0 40 GFAB Cc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)C(=O)c1ccco1 4544827 MPQSEDUZOHGAHD-QXGSTGNESA-N 376.412 2.999 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CN2CCc3sccc3C2)cc1 52432875 BEIQYAQFYWOLPC-SFHVURJKSA-N 399.516 2.745 0 40 GFAB Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4cc(C(F)(F)F)n[nH]4)nc3c12 6412649 RPMPCPNQMSOQHO-UHFFFAOYSA-N 395.370 2.758 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N[C@H]1CCSc2ccccc21 32808724 ABHXCZPFFCQPDC-HNNXBMFYSA-N 387.505 2.985 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1C 6707010 OKXKILYNZCGGHH-UHFFFAOYSA-N 379.434 2.665 0 40 GFAB COc1ccc2oc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c(C)c2c1 2629779 RAMQKBQWADTNNJ-UHFFFAOYSA-N 394.383 2.892 0 40 GFAB Cc1ccc(CCCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 10110533 DBZRBWFKFDDFFK-UHFFFAOYSA-N 396.459 2.788 0 40 GFAB O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccc2c(c1)OCCO2 8231945 MWPYMKXYRWRPPK-UHFFFAOYSA-N 388.489 2.532 0 40 GFAB CN(Cc1cccc(F)c1)C(=O)CSc1nc2sccc2c(=O)n1C 29864981 LCIRGZVCLJYUBU-UHFFFAOYSA-N 377.466 2.885 0 40 GFAB CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O 684062 DHSQYFUMGHBRNV-ZDUSSCGKSA-N 399.241 2.697 0 40 GFAB CCCNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1Cc1ccco1 22488169 QRIFMLAONVFIIU-CQSZACIVSA-N 377.514 2.917 0 40 GFAB Cc1ccc(NC(=O)CSCc2c(C)noc2C)cc1S(=O)(=O)N(C)C 22745686 ZIFCOGYFXHVMID-UHFFFAOYSA-N 397.522 2.722 0 40 GFAB O=C(NCc1ccc2c(c1)OCCO2)NC1CCN(C(=O)c2ccccc2)CC1 54041087 COSOJVAKHQZDSP-UHFFFAOYSA-N 395.459 2.562 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C)cc1 940599 FCTRUVZHBZBHNK-SFHVURJKSA-N 376.420 2.918 0 40 GFAB COc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)NC1CCCC1 25258236 CDDZIMYPIWMECD-UHFFFAOYSA-N 394.518 2.908 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4O)CC3)CC2=O)c1C 26525567 MSMGVMJYQJMWCO-SFHVURJKSA-N 393.487 2.711 0 40 GFAB CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 12521355 SCMFKOCCZVXGSK-UHFFFAOYSA-N 389.296 2.600 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 26744630 LEBYPHOLXNXJRD-UHFFFAOYSA-N 375.418 2.504 0 40 GFAB CN(C)C(=O)CN1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 20669467 RUXGLFGRMPNARI-UHFFFAOYSA-N 381.505 2.569 0 40 GFAB COc1ccc2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c1C 2105094 AJTGPBGCDBRZDR-HNNXBMFYSA-N 375.421 2.576 0 40 GFAB biogenic COc1ccc(OC)c(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[nH]2)c1 27829141 RQFAPGPRQNLSHX-MRXNPFEDSA-N 381.436 2.799 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C1 27964832 OFEALPSEMDPPKK-INIZCTEOSA-N 391.493 2.697 0 40 GFAB Cc1ccn(C[C@H](C)CNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619101 CGOFQNGQFUXQLB-GFCCVEGCSA-N 393.451 2.503 0 40 GFAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc(C(C)C)c1 12763034 RPJHTIAQXRMGIH-UHFFFAOYSA-N 384.480 2.610 0 40 GFAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNC(=O)c2cccs2)n1 48300050 BCYZNPBIOCVSPZ-UHFFFAOYSA-N 395.916 2.588 0 40 GFAB CN(CCOc1ccc(F)cc1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 12893899 VOVPQHDWHWDBLL-UHFFFAOYSA-N 395.390 2.819 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2ccccc2Cl)sc2c1CCC2 3507151 DHIGWPGPNTUVCH-UHFFFAOYSA-N 378.837 2.785 0 40 GFAB Cc1nc(NC2CCN(S(C)(=O)=O)CC2)c2c3c(sc2n1)C[C@H](C)CC3 12998836 ZQKWDSRNPMOSDU-LLVKDONJSA-N 394.566 2.960 0 40 GFAB O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1cnccn1 13008063 RMXGIHWZHBDBHF-LBPRGKRZSA-N 386.477 2.578 0 40 GFAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(CCO)cc3)c(=O)oc2c1 13572057 MQKRKEALBQUCRL-UHFFFAOYSA-N 397.427 2.835 0 40 GFAB Cc1c(C(=O)OCC(=O)N(C(C)C)C(C)C)sc2nc3n(c(=O)c12)CCC3 5246717 PTZVYVXYJQPIHJ-UHFFFAOYSA-N 391.493 2.515 0 40 GFAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCC(c1ccccc1)c1ccccc1 14021964 XAHPTEGWEXYRRG-UHFFFAOYSA-N 380.473 2.708 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 6436078 OLTBRCMQFCQBIR-QILLFSRXSA-N 394.537 2.570 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(-c3ccccc3)on2)c1 14255023 CKMXHFCAGPAMNJ-UHFFFAOYSA-N 387.461 2.582 0 40 GFAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 6507627 UMPPTIMSIRJCHR-GFCCVEGCSA-N 389.502 2.754 0 40 GFAB COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)c2c1 6669682 ACWYBBFFTQMMFX-HXUWFJFHSA-N 377.444 2.949 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)NCc1cccs1 4711094 ZPWSZVJPFIKKKD-UHFFFAOYSA-N 375.469 2.632 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O 5634124 JFGAERGJXNIDOR-UHFFFAOYSA-N 399.278 2.892 0 40 GFAB Cc1nc(Cc2nnc(SCc3cc(=O)n4ccsc4n3)o2)cs1 5832790 SFPFKXHBTKKAFA-UHFFFAOYSA-N 377.476 2.787 0 40 GFAB CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@H]1C 67665347 KOVMAAYRBJCASY-QDGKJQRMSA-N 398.503 2.551 0 40 GFAB in-vitro CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C 67665351 KOVMAAYRBJCASY-JBDAPHQKSA-N 398.503 2.551 0 40 GFAB world CCCOC(=O)CCC(=O)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1 7447164 HZFFHKLBTCIILO-MRXNPFEDSA-N 394.493 2.791 0 40 GFAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc2ccccc2c1 7777483 FBKPMKBCCBKFIB-OAHLLOKOSA-N 397.500 2.946 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)N3CCCCCC3)CCC2=O)c1 9397648 OGAGYIPORLKECY-UHFFFAOYSA-N 385.464 2.732 0 40 GFAB CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCSCc1ccccc1 84200435 VCUMRPNXTOSNHE-INIZCTEOSA-N 380.510 2.672 0 40 GFAB C[C@H]1Sc2ccc(C(=O)NCc3ccc4c(n3)CCCC4=O)cc2NC1=O 95467348 NWLJPJKDLYEBIX-LLVKDONJSA-N 381.457 2.963 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1cc(Cl)ccc1Cl 95942231 ILTPKYFOBBNSRP-ZDUSSCGKSA-N 390.267 2.819 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(F)ccc2F)cc1 22227411 CBIISEPEPVLXIV-UHFFFAOYSA-N 396.459 2.968 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(F)cc2Br)c1=O 24111418 CYULIOHQSPJSBD-UHFFFAOYSA-N 393.134 2.916 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 30941976 WOQRJDFDJAJCKL-UHFFFAOYSA-N 392.459 2.950 0 40 GFAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)c1OC 73257553 CKUCWPTUZQKDGP-DRAMBROLSA-N 387.432 2.501 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218434161 BZGABXHDEYOCMW-SOLBZPMBSA-N 380.849 2.651 0 40 GFAB COc1ccc(C2=NN(C(=O)CNC(C)(C)CO)[C@H](c3ccc(F)cc3)C2)cc1 36393647 NKWWTEVGXSSQEQ-FQEVSTJZSA-N 399.466 2.873 0 40 GFAB COc1ccc(C(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)cc1OC 40386360 NBECNHRYSLPUQG-KRWDZBQOSA-N 394.427 2.886 0 40 GFAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc(Br)cs3)C2)n1 225405632 WSMZRHKYLMRXHF-LLVKDONJSA-N 397.298 2.660 0 40 GFAB S=C(NC[C@@H]1CCCO1)Nc1nc(Cl)cc(Sc2ncccn2)n1 225910903 SUPUPLBWCSYDAN-VIFPVBQESA-N 382.902 2.537 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2cccs2)CC[C@@]1(C)O 514289951 PKZNYKFIKGYGDK-OKZBNKHCSA-N 380.535 2.639 0 40 GFAB biogenic,in-vitro O=C(NCc1ccc(F)c(F)c1)N1CCN(Cc2nccn2C(F)F)CC1 590861757 QHMFTLPKOPREBJ-UHFFFAOYSA-N 385.365 2.584 0 40 GFAB COc1cc(C)nc(N2CCN(C(=O)Cc3cccc(C(F)F)c3)CC2)n1 684124926 YBVLOCMKMXTBMC-UHFFFAOYSA-N 376.407 2.623 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 90611553 RGHPQUUSVWOSHH-QGZVFWFLSA-N 385.407 2.904 0 40 GFAB Cc1occc1C(=O)Nc1cc(NC(=O)NC[C@@H]2COCCO2)ccc1F 56605425 VHABOTLWHPWCGR-CYBMUJFWSA-N 377.372 2.516 0 40 GFAB COc1cc(C2=N/C(=C\c3ccccc3OC(C)=O)C(=O)O2)cc(OC)c1OC 1041660 BJKJUEYCQYYNAC-DHDCSXOGSA-N 397.383 2.982 0 40 GFAB CC(C)[C@@H](N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 11100379 RWHBDYQWHUDPTJ-RDTXWAMCSA-N 375.494 2.648 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccc(Br)cc2)[nH]1 12507489 OUZNCXBWYFFFNU-MRVPVSSYSA-N 383.271 2.775 0 40 GFAB CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 19496195 OZOZBCWDVAWQBC-OXQOHEQNSA-N 389.515 2.948 0 40 GFAB CCn1nc(C)c(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19523826 INOLWCATLNCXDC-GOSISDBHSA-N 398.555 2.973 0 40 GFAB CN1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 19590584 KYIFJTRQWKKSOH-KRWDZBQOSA-N 392.912 2.644 0 40 GFAB Cc1cc(C(=O)Nc2cc(Cl)c3oc(C)cc3c2)c2c(=O)[nH]c(=O)n(C)c2n1 19716356 FMBOCSODZXYKKF-UHFFFAOYSA-N 398.806 2.891 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 1981980 PYFSIDCFXVYKBI-GFCCVEGCSA-N 389.404 2.905 0 40 GFAB Cc1cn2nc(C(=O)N3CCN(c4nsc5ccccc45)CC3)ccc2n1 1889022037 YEIAHRMGZAGMKF-UHFFFAOYSA-N 378.461 2.610 0 40 GFAB COCc1nsc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n1 1889091527 OFWMITIBOYRNHJ-ZYHUDNBSSA-N 385.415 2.813 0 40 GFAB Cc1ncncc1C(=O)N1CCC[C@@H](Cc2ccc(-c3cnc(C)n3C)nc2)C1 1848353168 CXDARSXVLGIHGJ-SFHVURJKSA-N 390.491 2.984 0 40 GFAB O=C1Nc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2N2CCC[C@H]12 23990304 MAVFDMVSCYTRKC-OAQYLSRUSA-N 390.487 2.566 0 40 GFAB CN(C)c1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cn1 29029445 ZYHRXBPXBVUTHF-UHFFFAOYSA-N 395.459 2.654 0 40 GFAB O=C(Cc1ccc(F)cc1F)NCCN1Cc2cc(Cl)ccc2OCC1=O 238866327 LVWCLFIJPAFXBG-UHFFFAOYSA-N 394.805 2.698 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839914 FJIHFVWHHSYYEP-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB CC(C)N(C)CC(=O)N1CCC2(CC1)C[C@H](C(=O)N1CCCC1)c1ccccc12 1614938586 WJLSNFDFQQNGJA-FQEVSTJZSA-N 397.563 2.997 0 40 GFAB COc1cc(OC)cc(C(=O)NCc2nnc(S)n2-c2ccc(F)cc2)c1 4059244 KYVJTXOFGBVODX-UHFFFAOYSA-N 388.424 2.642 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(F)c2)C1=O)c1cccs1 9306777 FNXXVSQNYYVWGW-AWEZNQCLSA-N 387.314 2.632 0 40 GFAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)on1 13596995 IFUPLLYRTCTFBI-JTQLQIEISA-N 389.886 2.737 0 40 GFAB CCOc1ncccc1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206843927 PPFWOLCONSVFQH-OAHLLOKOSA-N 380.404 2.769 0 40 GFAB COc1cc2cc(C(=O)NCCn3cnc4ccccc43)n(C)c2cc1OC 96117466 FYQVNKJBTONPKC-UHFFFAOYSA-N 378.432 2.975 0 40 GFAB C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCO1 45890697 IDTIYSQQXKXRGW-YLJYHZDGSA-N 382.460 2.771 0 40 GFAB C[C@@H](OC(=O)[C@H]1COCCO1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 46313380 VBDUIIQJMKDQPF-RDDDGLTNSA-N 382.627 2.932 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)n1N 3600300 PQHDMZDTKBVPMH-ZDUSSCGKSA-N 395.488 2.737 0 40 GFAB O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 32773409 GWQFRFJNZALSHC-KRWDZBQOSA-N 375.856 2.818 0 40 GFAB CCc1ccc2c(COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc(=O)oc2c1 102250413 FVAQXCQMMBPPLD-IAGOWNOFSA-N 397.427 2.574 0 40 GFAB CCOc1ccccc1NC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1 4913931 DYKQONPCWQTDNP-UHFFFAOYSA-N 398.444 2.928 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)cc1 6170472 SZEFJLCBFXLELM-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl 6926936 XMIXAOQJFLRXRZ-NMWPEEMBSA-N 392.242 2.905 0 40 GFAB CC(C)C[C@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)N1CCOCC1 32903084 AKRDQNOTBNPAEG-LJQANCHMSA-N 378.538 2.640 0 40 GFAB CSc1cccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 8169631 ZSUCNNWGUVBTPZ-UHFFFAOYSA-N 378.519 2.851 0 40 GFAB COc1ccc(N[C@H](C)C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N(C)C 52710240 KSXJOFMAYDKYAN-CQSZACIVSA-N 397.541 2.537 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cc(C)ccc2C)c(=O)c1=O 22726315 XWRKWDWAAXDAGQ-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB COc1ccccc1CN(C)C(=O)CN1CCN(C/C=C/c2ccccc2)CC1 22816531 JSRLJOZCVFFPRC-DHZHZOJOSA-N 393.531 2.985 0 40 GFAB Cc1ccc(-n2nc(C)c(CC(=O)NCCNC(=O)C(C)C)c2C)cc1Cl 42385890 FDSXXFZTHISHMW-UHFFFAOYSA-N 390.915 2.882 0 40 GFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 47502387 LDCAOVUFIKJWBH-CQSZACIVSA-N 395.337 2.764 0 40 GFAB Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)[C@H]2CCCN2C1=O)c1ccccc1 105767235 WAIAOBRMJKJMLD-CEWLAPEOSA-N 394.471 2.889 0 40 GFAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 106032712 SSWIKTDWZHDCGS-BEVDRBHNSA-N 396.487 2.961 0 40 GFAB Cc1cc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)ccc1Br 12538957 WDQOQXOUOWVADW-AWEZNQCLSA-N 388.265 2.822 0 40 GFAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1)n1cncn1 25298108 XVNAYUVVEXZABW-LBPRGKRZSA-N 375.392 2.606 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc(C4CC4)cs3)C2=O)cc1 25559290 DBBQDFYGDKYWOF-IBGZPJMESA-N 384.461 2.735 0 40 GFAB Cc1ccc([C@@H](NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 26170212 SQNOVDJBFUIWNK-JOCHJYFZSA-N 390.487 2.931 0 40 GFAB CC[C@]1(C)CC2=C(CO1)S[C@@H]1N=NN(CC(=O)NCc3ccco3)C(=O)[C@H]21 35323857 MZTMBVBBWFQEPU-SOLBZPMBSA-N 390.465 2.637 0 40 GFAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 21605221 AOUGLHCVZAGOFN-CYBMUJFWSA-N 377.437 2.657 0 40 GFAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N4CCC(C(N)=O)CC4)c(C)c3cc12 2119671 VNMBEMWQLCCZDE-UHFFFAOYSA-N 396.443 2.731 0 40 GFAB biogenic Cc1nc2sc3c(c2c2nc(C(=O)NCCCN(C)C)nn12)[C@H](C)CCC3 2200448 XUTSTAWTKRKCSX-LLVKDONJSA-N 386.525 2.769 0 40 GFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1 3394588 YIEHIVMDTHLYSO-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 2354226 SCHXFDFTQJLIAJ-UHFFFAOYSA-N 376.829 2.733 0 40 GFAB O=C1CCc2cc(C(=O)COC(=O)c3cc(Br)c[nH]3)ccc2N1 48234399 HJLYZGOGLVIBQU-UHFFFAOYSA-N 377.194 2.702 0 40 GFAB CCOCCOc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1 48299545 PVUPUUPSLZCBHD-QGZVFWFLSA-N 384.542 2.502 0 40 GFAB O=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCOc2ccccc21 48253014 AKVPPWLVTGXMCP-UHFFFAOYSA-N 395.440 2.922 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CSc1ccc(C)cc1C 12890892 MLMIHFSGTJJLMW-UHFFFAOYSA-N 392.546 2.761 0 40 GFAB Cc1cc(=O)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1-c1ccccc1 18156691 VKPPFDPVSRINBX-UHFFFAOYSA-N 377.400 2.542 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 12999034 AIXMBELRNAPIAJ-UHFFFAOYSA-N 376.453 2.881 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 12989712 SQMNXOVZJZYBOW-UHFFFAOYSA-N 379.464 2.952 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)[C@@H]1CCCO1 12973010 FOSNMBLWBMCOEN-FZMZJTMJSA-N 384.274 2.563 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccccc1 3600780 ZWUPFQOURWCHBR-IVZQSRNASA-N 377.444 2.647 0 40 GFAB Cc1cccc(-n2nnnc2SCC(=O)N[C@H]2CCOc3ccccc32)c1 8718447 ILWZQXKQCASXAS-INIZCTEOSA-N 381.461 2.703 0 40 GFAB COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1 13121976 OHVDRDXOXGFHNM-DLBZAZTESA-N 399.476 2.805 0 40 GFAB O=S(=O)(NCc1cccc(CN2CCCC2)c1)c1ccc2c(c1)OCCO2 26842951 OKZYYSVHCCAWED-UHFFFAOYSA-N 388.489 2.532 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2ccc(Cl)cc2)Oc2ccccc21 38848629 KLWUOAXMNKYELR-QGZVFWFLSA-N 394.880 2.574 0 40 GFAB COc1ccc(-c2cc3ccc(OS(C)(=O)=O)cc3oc2=O)c(OC)c1 4088719 BZFPGSRSYDRDIF-UHFFFAOYSA-N 376.386 2.816 0 40 GFAB biogenic C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)C[C@@H](C)O1 6152378 LNLVYZNRNGDEHX-ZIAGYGMSSA-N 392.452 2.876 0 40 GFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 65530383 RWAJHTGAOOZLPE-SWLSCSKDSA-N 376.478 2.939 0 40 GFAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCc3sccc3C2)C1=O 14310167 IJCRZSBIZWRAGE-SFHVURJKSA-N 377.416 2.809 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 6789699 GVZABHSQFGYVFE-JOCHJYFZSA-N 377.444 2.971 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1C(F)(F)F 60165902 XKMUJJIDJNIFKF-UHFFFAOYSA-N 383.355 2.790 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccccc1 4895600 DWFGNGHBAHYYKX-UHFFFAOYSA-N 381.476 2.553 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 9227400 XYNNHKOYRGGWJQ-OAHLLOKOSA-N 378.469 2.584 0 40 GFAB O=C(NCc1cn2ccccc2n1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 8231353 BOAFTXIRKMWOKM-MDZDMXLPSA-N 388.471 2.903 0 40 GFAB CCCCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(C)=O)CC1 408625940 GCVVWPJUCXMMEW-UHFFFAOYSA-N 376.526 2.748 0 40 GFAB COCCCS(=O)(=O)N1C[C@@H](C)Oc2cc(C)c(Br)cc21 95964288 HUANXNQXXVGWIO-LLVKDONJSA-N 378.288 2.711 0 40 GFAB CCn1c(SCc2cccs2)nnc(Nc2ccc(C(N)=O)cc2)c1=O 28538086 FLLAPPOYZGWCHL-UHFFFAOYSA-N 387.490 2.855 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20024396 RDORBCIAAKTFQG-OAHLLOKOSA-N 390.505 2.756 0 40 GFAB Cc1cccc(C(=O)N2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 306131189 JYKDFIIFIVGHFC-SFHVURJKSA-N 391.475 2.504 0 40 GFAB Cc1ccc(C)c(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)c1 36634030 DCJRPLYPNUFMIC-NRFANRHFSA-N 377.488 2.753 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 408923875 HPEUDHCQMKNGFW-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1c(C)nn(C)c1C 72326317 INAVKLLJJMDLSC-UHFFFAOYSA-N 383.448 2.709 0 40 GFAB biogenic CCS(=O)(=O)N1C[C@H](C(=O)N(C)Cc2ccc(C)cc2)Oc2ccccc21 216304555 HBKLABIBXKXOPY-LJQANCHMSA-N 388.489 2.571 0 40 GFAB CCCC(=O)N1CCc2[nH]c([C@H]3CCCN3Cc3ccsc3)nc(=O)c2C1 72398790 KDNFGEKXEKQWQB-QGZVFWFLSA-N 386.521 2.853 0 40 GFAB Cn1cc(S(=O)(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)cn1 72363238 RWXILERQUFXICJ-OAHLLOKOSA-N 399.476 2.571 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)no1 670786917 ZVPIIIAPKJXRIX-NSHDSACASA-N 377.447 2.561 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccccc3C)c3ccccc3n12 64871607 AODSYPCAVNGIJS-UHFFFAOYSA-N 375.432 2.944 0 40 GFAB O=C1C[C@H](c2cccc(OCC(=O)Nc3ccccc3Cl)c2)N2N=CNC2=N1 38316131 ATCPQHWTHLQNRW-MRXNPFEDSA-N 397.822 2.533 0 40 GFAB Cc1csc2ncnc(N3CCN(CC(=O)NC4CCC(C)CC4)CC3)c12 575348396 NWOSFXRFVIBJSM-UHFFFAOYSA-N 387.553 2.817 0 40 GFAB COc1ccc([C@H](CC(=O)N[C@H](C)c2ccccc2)NS(C)(=O)=O)cc1 225954884 BOOAEASSILKGKE-KDOFPFPSSA-N 376.478 2.553 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 225787049 GESJJEJZSMTRDB-INIZCTEOSA-N 390.505 2.810 0 40 GFAB Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3)C3=C2C(=O)OC3)cc1 49402824 VSSBEJJVENMGPI-HXUWFJFHSA-N 391.427 2.819 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(C(=O)OCC)CC2)cc1 48065963 LLRGISXKGMFAPY-JXMROGBWSA-N 375.425 2.569 0 40 GFAB Cc1ccc(CN(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 225095935 UFHRHNVAWPHKJS-UHFFFAOYSA-N 394.924 2.769 0 40 GFAB COCCn1cnc(-c2nc(C(=O)NCc3ccc(C)o3)c3ccccn23)c1 96155029 WFDRKJSPGGMKMV-UHFFFAOYSA-N 379.420 2.676 0 40 GFAB Cc1cccc(NC(=O)c2ncn3c2CN(C)S(=O)(=O)c2ccccc2-3)c1 96266121 ZATNUOYZAHQJLE-UHFFFAOYSA-N 382.445 2.567 0 40 GFAB CCOc1ccc([C@@H](N)c2n[nH]c(COc3ccc(OC)cc3)n2)cc1OC 95534259 PHPPMOVFNRKGBH-LJQANCHMSA-N 384.436 2.848 0 40 GFAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCO)CCOCC2)c1 257197679 GHRIJMSEUUYJAM-UHFFFAOYSA-N 387.451 2.949 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@]12CCCO2 257293194 QOMVIHYLIUCPRE-UYAOXDASSA-N 387.505 2.937 0 40 GFAB CC(=O)Oc1ccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)cc1 254384395 VJYROBUPGRDKTH-UHFFFAOYSA-N 377.425 2.599 0 40 GFAB O=C(c1nc(C2(c3ccncc3)CCC2)no1)N1CCN(c2ccccc2)CC1 656035754 SVTOQXDKTKTZPN-UHFFFAOYSA-N 389.459 2.897 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 575421215 IMFMDJNPNJSPGL-SFHVURJKSA-N 393.530 2.681 0 40 GFAB O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 585292350 LBGQFMPYOZSFHW-JFDDCEBESA-N 390.447 3.098 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 585291780 CPSTXWSXIQVJMU-GFOMBABLSA-N 386.459 3.430 0 40 GFAB Cc1noc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)n1 54664522 OPFHVNVNGSDWOZ-SFHVURJKSA-N 394.475 2.626 0 40 GFAB COc1ccc(-n2ccc(CNC(=O)c3cc4ccccc4oc3=O)n2)cc1 55611728 FWZOPEBOITUVKP-UHFFFAOYSA-N 375.384 2.917 0 40 GFAB COc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 1548338332 KXJJQPUNWCMMTG-ZETCQYMHSA-N 397.218 2.637 0 40 GFAB O=C(COC(=O)c1ccccn1)/N=c1\sccn1Cc1ccccc1Cl 5693296 YMSKOOHDMODSDK-UZYVYHOESA-N 387.848 2.931 0 40 GFAB O=C(Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1cccnc1 13684223 WAXNLQKIOQWGFJ-MRXNPFEDSA-N 382.445 2.557 0 40 GFAB COc1ccc(C(C)=O)cc1CN1CCN(CC(=O)Nc2ccc(C)cc2)CC1 19536690 NLBFRIYYFPTNNM-UHFFFAOYSA-N 395.503 2.963 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 19572897 IWZCHNXLAKDKNH-FXAWDEMLSA-N 396.539 2.983 0 40 GFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)N3CCCCC3)CC2)C1 12365553 CVVKJRWDHIPDQB-UHFFFAOYSA-N 399.535 2.583 0 40 GFAB Cn1ncc(C2CC2)c1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 659135822 VXILNMZIIAJUIY-QGZVFWFLSA-N 396.447 2.629 0 40 GFAB Cn1nc2c(c1CN1C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C1)CCCC2 1888873364 PHGCKPUAIPWHKF-IRXDYDNUSA-N 394.567 2.955 0 40 GFAB Cn1cc(-c2ccc(CCNC(=O)C(=O)NCCC3=CCCCC3)cc2)cn1 1889186915 AFZGAQJWKZGPCK-UHFFFAOYSA-N 380.492 2.753 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1889201432 NTYSKYMFEPQVQW-UHFFFAOYSA-N 384.864 2.559 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 22426864 IDDXLJKTWCWVEJ-BJMVGYQFSA-N 381.432 2.747 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037840789 QWFKZACJDXIFGH-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccccc1Cl 245171846 XYCIDXPHFOSZTL-GOSISDBHSA-N 390.848 2.985 0 40 GFAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037912931 DYSMVKFYMJFWQV-SFHVURJKSA-N 397.397 2.725 0 40 GFAB CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3)c2=O)cc1 2973208 ITJAUMZGPITMOM-UHFFFAOYSA-N 385.807 2.830 0 40 GFAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 10233530 YYUAXKXYXAOIGG-GFCCVEGCSA-N 383.427 2.616 0 40 GFAB COc1ccc(OC)c(NC(=O)CCCSc2ccc(NC(C)=O)nn2)c1 11793339 RIWPJVCNLGUNPE-UHFFFAOYSA-N 390.465 2.963 0 40 GFAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2scnc2C)CC1 2055759421 XVKCABCCQXQWMH-UHFFFAOYSA-N 388.537 2.661 0 40 GFAB O=C(CN1CCN(CC(=O)c2ccco2)CC1)Nc1cccc(C(F)(F)F)c1 36708314 OHXRFHLYCIXJPY-UHFFFAOYSA-N 395.381 2.737 0 40 GFAB CNC(=O)Cc1csc(NC(=O)c2csc(Nc3cccc(C)n3)n2)n1 62022567 DNGNUJTZRQHJOB-UHFFFAOYSA-N 388.478 2.587 0 40 GFAB CCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 4888995 ZBKKHBUQOWLTBZ-UHFFFAOYSA-N 382.453 2.507 0 40 GFAB O=C(CNC(=O)C1=NO[C@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1F 40155162 GLMYJMNXOLQCNK-AWEZNQCLSA-N 377.322 2.676 0 40 GFAB NC(=O)c1ccsc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 40154726 VLPZJLDGSAKSQO-OAHLLOKOSA-N 393.896 2.903 0 40 GFAB Cc1cccc(C)c1OCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 40113799 QWSJGZQEPQQYMU-UHFFFAOYSA-N 380.444 2.875 0 40 GFAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 40150230 PVISSQJNJCAWGS-LNLFQRSKSA-N 396.535 2.959 0 40 GFAB Cc1cc(C(=O)OCCN2C(=O)NC(C)(C)C2=O)c(C)n1Cc1cccs1 30739731 LBJXULOAOZXHMV-UHFFFAOYSA-N 389.477 2.702 0 40 GFAB CCOC(=O)Cc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)n1C 8260691 KERFEIBYWGAFCQ-UHFFFAOYSA-N 376.482 2.649 0 40 GFAB Cc1cccc(C(=O)NCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 11752002 XURJEWKZEVZUJS-UHFFFAOYSA-N 383.429 2.744 0 40 GFAB COc1ccccc1CNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8318939 ZBJUOVZEFGUYSF-GOSISDBHSA-N 382.460 2.920 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 946539 PCFFHFGMZBUXOR-JKIFEVAISA-N 396.390 2.661 0 40 GFAB CCOC(=O)N1CCC[C@@H](C(=O)N2CCCN(C)c3nc4ccccc4nc32)C1 32764515 RRTVEAMJDGQYIS-OAHLLOKOSA-N 397.479 2.671 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 32768718 SFGDLMBKQGIUNU-MRXNPFEDSA-N 381.837 2.781 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21)Nc1ccc(F)cc1 4984998 BBOGHNLYNVSOFJ-GOSISDBHSA-N 381.407 2.806 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)c1 7881560 XDYFPFXDYSQCMB-GDBMZVCRSA-N 397.427 2.871 0 40 GFAB Cc1nn(CC(=O)NCCCn2nc(C)c(Cl)c2C)cc1Br 2793769 FFOXQXJLPCTVJA-UHFFFAOYSA-N 388.697 2.627 0 40 GFAB Cc1cnn(C(=O)c2cc3nc(-c4cn(C)nc4C)cc(C(F)(F)F)n3n2)c1 2782534 IEQCIUZPESRDJQ-UHFFFAOYSA-N 389.341 2.650 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2cc(C)[nH]c2c1=O 57521696 LWVGIPMRIAVVQM-UHFFFAOYSA-N 385.493 2.850 0 40 GFAB O=C(CCNC(=O)c1ccc(NC(=O)c2ccco2)cc1)Nc1ccccn1 52968408 YHFWNUINOGDIBS-UHFFFAOYSA-N 378.388 2.686 0 40 GFAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1 103022399 HFVAEWXYZMLTSH-IBGZPJMESA-N 393.443 2.738 0 40 GFAB CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)c1cccnc1)C(F)(F)F 22022928 NHPVTFBIWFFYKX-QGZVFWFLSA-N 399.344 2.562 0 40 GFAB CC(=O)N[C@H](Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl 872917 RKKVXVWEVRKSHH-CQSZACIVSA-N 391.686 2.729 0 40 GFAB Cc1noc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 42703167 NNVNSXZXOYWADV-UHFFFAOYSA-N 382.342 2.888 0 40 GFAB Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)ccc1F 105617143 KCKVMJUUXDYOGC-UHFFFAOYSA-N 376.453 2.735 0 40 GFAB O=C(NCc1nnc2ccccn12)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12568911 PNGGGUSDUWXXRZ-HNNXBMFYSA-N 397.866 2.551 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)CNc2ccc(F)c(C(N)=O)c2)c1 55850461 FNTIVCQGVBCIKL-UHFFFAOYSA-N 375.400 2.773 0 40 GFAB COc1ccccc1N(CCCC(=O)NCCCc1ccco1)S(C)(=O)=O 113966579 FUFDQTPWMWHCQG-UHFFFAOYSA-N 394.493 2.583 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 35279488 VLFWNYFPAPMQAG-ZMOMAAQPSA-N 383.448 2.989 0 40 GFAB O=C1C[C@H](C(=O)NCCc2nccn2Cc2ccccc2)c2ccc(F)cc2N1 26217253 CSFSBDANMOYIPQ-SFHVURJKSA-N 392.434 2.855 0 40 GFAB CC[C@]1(C)CC2=C(CO1)S[C@@H]1N=NN(CC(=O)Nc3nccs3)C(=O)[C@H]21 35323883 VQINPRLEKIENQI-DVOMOZLQSA-N 393.494 2.823 0 40 GFAB NC(=O)c1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 1799542 CHOUVJDUBXKABF-UHFFFAOYSA-N 379.416 2.581 0 40 GFAB CCS(=O)(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 58175328 VGNQCEPFVHBGCX-SFHVURJKSA-N 399.472 2.643 0 40 GFAB CCN(CC)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)cn1 58174597 XCHJQQBOVDIQRK-LJQANCHMSA-N 395.507 2.939 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)c(Cl)c1Cl 113935580 GXWYIRZOSOBBGI-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB COC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc1C 58365988 QAFLZJZFEANQLU-CYBMUJFWSA-N 387.461 2.847 0 40 GFAB C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCCCC1 58405536 JAKCPTIFMQUYSZ-JKSUJKDBSA-N 380.483 2.965 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)cc1 3302034 CZYYGZLJWZYNMG-UHFFFAOYSA-N 385.416 2.770 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(N2CCCC2)n1 67256909 OHYVPULAVRXBPZ-UHFFFAOYSA-N 390.871 2.590 0 40 GFAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CCCC1 3537437 CWDFSMVYSBBXOM-QHCPKHFHSA-N 391.471 2.735 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(N2C(=O)CCC2=O)c1 12972507 VACCIKFYMLXFPY-UHFFFAOYSA-N 399.834 2.704 0 40 GFAB COc1ccc(NC(=O)COc2ccc(C(=O)N3CCCC3)cc2OC)cc1 17356308 ZTKBQEMMQUOTHD-UHFFFAOYSA-N 384.432 2.957 0 40 GFAB C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCO2 6100499 QCCHFCXYPLOKIR-LLVKDONJSA-N 384.417 2.830 0 40 GFAB CC(C)N(C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 4351884 DVFSAOQGRFVJNH-UHFFFAOYSA-N 394.427 2.938 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)CC1 5345638 SQMUQGZQPABKTN-UHFFFAOYSA-N 375.425 2.536 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(C)cc2)cc1 6728320 RBBZMUVJQXXXRJ-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 4862834 UBJDQTIAFFESPR-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB Brc1cc2c(cc1Cn1nnc(-c3cccs3)n1)OCCO2 6881857 HNWUMPBEMIBZKS-UHFFFAOYSA-N 379.239 2.984 0 40 GFAB NC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 4935832 OOPMZCUENCLLMI-UHFFFAOYSA-N 393.472 2.974 0 40 GFAB CC(C)CNC(=O)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 4985427 NRSGIBWTYFWWTJ-UHFFFAOYSA-N 387.509 2.778 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 20457191 WYDSUBSRAXIWHI-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 306131714 KNPSTXLDZQRHPC-KRWDZBQOSA-N 381.476 2.540 0 40 GFAB CCc1nnsc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 8061258 WSDYUKODQBRBRL-UHFFFAOYSA-N 394.522 2.836 0 40 GFAB Cc1ccc(-n2[nH]c(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2=O)cc1 78903190 DUISDSCSCJCGOL-UHFFFAOYSA-N 387.443 2.649 0 40 GFAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)c(Cl)c1 9374565 WDQATESJYISMAX-UHFFFAOYSA-N 391.888 2.691 0 40 GFAB COC(=O)CSc1ncn(C(=O)COc2ccc(Cl)cc2Cl)n1 27532371 MPZORFGKPCBYKE-UHFFFAOYSA-N 376.221 2.569 0 40 GFAB O=C(NCc1ccc(C(=O)O)o1)c1cccc(CS(=O)(=O)c2ccccc2)c1 95425470 AGCCGSKOHDYTDE-UHFFFAOYSA-N 399.424 2.882 0 40 GFAB C[C@@H](OC(=O)c1ccnc(Br)c1N)c1nc2ccccc2c(=O)[nH]1 95448023 GTCKHMYPGGJTQB-MRVPVSSYSA-N 389.209 2.581 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCN(CCOc3ccccc3F)CC2)c1 27761906 TWZLORBBOBCROM-UHFFFAOYSA-N 388.439 2.680 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359553 YPRODDPGPYFNEF-CQSZACIVSA-N 380.901 2.783 0 40 GFAB Cc1cc(C)n(CCCNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619184 VLSZRHVQEUGMOP-UHFFFAOYSA-N 393.451 2.565 0 40 GFAB Cc1nccn1-c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)nn1 70997825 VHKTYBAIIRUBKM-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB C[C@H]1CN(C(=O)NCCn2c3ccccc3c3ccccc32)CCS(=O)(=O)C1 565811948 CTDBRDCJFAUABC-INIZCTEOSA-N 399.516 2.871 0 40 GFAB O=C(c1cnccn1)N1CCC[C@@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 72334894 NUUGCFARZIKGDG-GFCCVEGCSA-N 395.488 2.673 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=O)c2cc3c(cc2Cl)OCCO3)CC1 41126413 SPGYDHXHTOKNPK-UHFFFAOYSA-N 386.835 2.709 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1Cl 224139653 IEYPLBKTUNGOQF-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2C(C)(C)C)c1 223740081 CNHSPXJHXFNBDF-UHFFFAOYSA-N 390.505 2.701 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)ccc1OC 223879398 OGALITPENALRFU-UHFFFAOYSA-N 396.896 2.919 0 40 GFAB C[C@@](O)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 77186779 QDDLHUWWCGXKOD-CYBMUJFWSA-N 381.397 2.833 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227412 BWPDGZXNIDFHSE-UGKGYDQZSA-N 381.451 2.660 0 40 GFAB Cc1cc(C(=O)N2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)c(C)o1 96254286 CDNHPVQBKLACKI-UHFFFAOYSA-N 399.495 2.542 0 40 GFAB CN(Cc1ccc(-c2nc(C3CCOCC3)cc(=O)[nH]2)cc1)Cc1cnccn1 96836377 IABFLICTMANIPE-UHFFFAOYSA-N 391.475 2.753 0 40 GFAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CO)C(=O)O)cc1 252516412 SJKWFDKKFKNNHK-JFIYKMOQSA-N 380.849 2.651 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCn2c(C)nc3ccccc32)[C@H]1O 257279090 OEZJUPHMILWQSS-YFVAEKQCSA-N 381.480 2.511 0 40 GFAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CN2CCCC2=O)o1 257267043 MFSQDKRKPOUGPV-GOSISDBHSA-N 397.475 2.950 0 40 GFAB C[C@@H](Cn1cncn1)NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654415213 LDBFQQISSJXYEQ-AWEZNQCLSA-N 377.439 2.999 0 40 GFAB NC(=O)c1ccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)cc1 100087398 XAWBBAHKDLMSAY-FXBPSFAMSA-N 386.205 2.626 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3nc4ccccc4s3)C2)cc1 96377847 OWESJTFLZHCVNV-UHFFFAOYSA-N 388.470 2.603 0 40 GFAB COc1cccc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)c1Cl 660346861 CKMNDWQCZWDKHP-CYBMUJFWSA-N 376.844 2.961 0 40 GFAB Cc1cnc(CNC(=O)[C@@H]2CN(CC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)cn1 1772595889 QWWALWSNTDFULT-DYXWJJEUSA-N 396.466 2.632 0 40 GFAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 5594307 XKGYWNRKOULHKP-UHFFFAOYSA-N 385.470 2.614 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)c1C 5934755 SFOFUHZYOWSXCY-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB COc1ccc(C2=NN(C(=O)[C@H](O)c3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 12473706 NWHYROFGMCUXAE-AEFFLSMTSA-N 394.349 2.616 0 40 GFAB CCN1CCn2c(nc3cc(NC(=O)COc4ccccc4OC)ccc32)C1 13718707 DTJQJAHAUCZOJO-UHFFFAOYSA-N 380.448 2.898 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 14232933 IYYUIKQFGCQBHK-OAHLLOKOSA-N 376.478 2.502 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(NS(C)(=O)=O)c1 15279100 DMDIGKGUJXEKRQ-UHFFFAOYSA-N 377.418 2.626 0 40 GFAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19448297 HPFMJTIDJJHBJI-SFHVURJKSA-N 384.455 2.653 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)nn1C 19709093 UPNZZSFRGVQGBF-FQEVSTJZSA-N 396.470 2.988 0 40 GFAB CC(=O)N[C@@]12CCN(Cc3ccc(OC4CCCC4)cc3)C[C@@H]1CN(C(C)=O)C2 19712983 DTSLIWXDVMCAON-NFBKMPQASA-N 399.535 2.567 0 40 GFAB CCCNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935751 OXQLBADOESGVQM-LJQANCHMSA-N 390.505 2.973 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(-c4ccncc4)nc3C2)c(OC)c1 19552484 VJJDGBAZFGHNKN-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB CCN(CC)C(=O)c1cnc([C@H]2CCN(C(=O)COc3ccccc3)C2)nc1C 19754149 GXSQFPYIRUJUJC-KRWDZBQOSA-N 396.491 2.662 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccc(C(C)C)cc2)c2ccccc2O1 9711583 ZSCYKJIVUUZHRU-NRFANRHFSA-N 395.503 2.782 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)nn1C 1888897120 GAVHALJCPNGICQ-IRXDYDNUSA-N 392.507 2.868 0 40 GFAB O=C(CCC(F)(F)F)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037988492 NSBGCUKDGGTUSC-QGZVFWFLSA-N 388.361 2.893 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)N(C)C3CCCCC3)CC2=O)cc1OC 4374551 SSWOKDSCWRYEGC-CQSZACIVSA-N 375.469 2.783 0 40 GFAB CC(C)Cn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc2c(c1)OCO2 101113641 UQZWMQKAOGBCJX-PTGBLXJZSA-N 380.404 2.847 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)cc1 35426657 PHDFRVKOSWTIPV-UHFFFAOYSA-N 392.444 2.967 0 40 GFAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CCCC3)nnc12 35528772 VQFCVEFBJXFMAH-UHFFFAOYSA-N 387.509 2.897 0 40 GFAB CC(=O)N1CC[C@@H](c2nn(CCNCc3cccc(Cl)c3)c3nccnc23)C1 72391655 ZHHGFVGDDQQTIR-MRXNPFEDSA-N 398.898 2.605 0 40 GFAB Cc1nc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c2ccccn12 89708973 CSSMYHOVHZRUDS-QGZVFWFLSA-N 394.450 2.950 0 40 GFAB CN(C)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccs1 40160837 YJHYNAASYQETSP-BBRMVZONSA-N 375.519 2.970 0 40 GFAB CCCn1c(=O)n(C[C@H](O)COc2ccc(NC(C)=O)cc2)c2ccccc21 30530956 AAGUJWXMWIWDIQ-KRWDZBQOSA-N 383.448 2.611 0 40 GFAB C[C@@H](NCC1(c2ccccc2)CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 30507899 JVWJNZQEWGCDAX-QGZVFWFLSA-N 393.487 2.698 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 45810891 DUKNVPOHFGRDDB-CQSZACIVSA-N 385.489 2.555 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3c(O)cc(C)cc3oc2=O)c(OC)c1 8491022 HWTJGAYOGMMLTF-UHFFFAOYSA-N 397.427 2.992 0 40 GFAB biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 3982472 SHIBSTMRCDJXLN-MHTZPRBCSA-N 390.520 2.575 0 40 GFAB Cc1cc(C)n2nc(C(=O)N3CCC(CCc4ccc(O)cc4)CC3)nc2n1 32882793 WSQOLTYFPDXWBY-UHFFFAOYSA-N 379.464 2.932 0 40 GFAB COCCCNC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1 6638446 BAEGAAUHWZRJAD-KPKJPENVSA-N 383.242 2.526 0 40 GFAB CC[C@@H](C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1 7423024 QTDPLLVDIGFLAF-OAHLLOKOSA-N 377.448 2.885 0 40 GFAB COc1ccccc1C(=O)COC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C 7987773 CLTUKPBYRKWIOV-OAQYLSRUSA-N 383.444 2.805 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 8091335 OLHOZJMZIKUYGZ-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB CCn1ccnc1S[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 21830271 QFCKWFFTHLSKSC-ZDUSSCGKSA-N 396.538 2.581 0 40 GFAB COc1ccc(CCC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1F 53237117 BRSKEGHOLQYOLR-UHFFFAOYSA-N 399.510 2.831 0 40 GFAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22778277 XQXDGNYGCSQWPD-SFHVURJKSA-N 395.503 2.753 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccnc1N1CCOCC1 23153119 ULBPGGCTEZCHOW-UHFFFAOYSA-N 379.416 2.748 0 40 GFAB CCN(CC)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 23197895 WDWHUUYBJMULOK-CTNGQTDRSA-N 380.488 2.837 0 40 GFAB O=C(NCc1ccc2c(c1)OCCCO2)[C@H](c1ccccc1)N1CCC(O)CC1 104895395 DVOZDIRGLXZHJX-QFIPXVFZSA-N 396.487 2.662 0 40 GFAB CCN(CC)C(=O)C1CCN(C(=O)N[C@@H](C)COc2ccc(F)cc2)CC1 58246455 URINBEAHLVEQKQ-HNNXBMFYSA-N 379.476 2.883 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)COC(=O)c1ccc(-n3cccn3)nc1)C2 109009204 ZLOCJSQKFOHSBC-QYWGDWMGSA-N 382.464 2.755 0 40 GFAB COc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738288 ZXDHHSAMJPHRST-OALUTQOASA-N 395.503 2.687 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1 12560808 RZRRQHCHGVSRTR-UHFFFAOYSA-N 394.518 2.853 0 40 GFAB COc1cc2c(cc1OC)CN(CN1C(=O)N[C@]3(CCCC[C@@H]3C)C1=O)CC2 25784672 ZXXVTBLHDWIJHN-QKKBWIMNSA-N 387.480 2.520 0 40 GFAB Cc1ccn2cc(C(=O)OCCCCN3C(=O)c4ccccc4C3=O)nc2c1 26173891 QOFUXFWNAMLKEU-UHFFFAOYSA-N 377.400 2.876 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24570149 ZUHJSVKXBZQETF-OAHLLOKOSA-N 384.407 2.956 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 27398310 ORGPXEAHLYWQRK-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB COC(=O)[C@](NNc1ccccc1)(NC(=O)c1cccc(C)c1)C(F)(F)F 2050355 HHVKLRLJPKLLFG-QGZVFWFLSA-N 381.354 2.773 0 40 GFAB CCc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245283 JVRDABZQZMXLIS-UHFFFAOYSA-N 393.484 2.948 0 40 GFAB CN1CCN(c2nn3c(C(F)(F)C(F)(F)F)nnc3c3ccccc23)CC1 10034942 JEOOQVOZKMNTCD-UHFFFAOYSA-N 386.328 2.683 0 40 GFAB C[C@@H]1CCCN(CCCCNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 58172233 DSLIGNWGZJBRKI-OAHLLOKOSA-N 379.936 2.972 0 40 GFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccnc(-n2ccnc2)c1 58192114 VCDAONUQJFJXDW-UHFFFAOYSA-N 397.866 2.747 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CCCC(=O)c2ccc(OC)cc2)CC1 36171321 FMYKJZYPMQLNCQ-UHFFFAOYSA-N 376.453 2.785 0 40 GFAB CN1CCN(Cc2ccc(CNC(=O)NCCc3ccc(F)cc3)cc2)CC1 36396092 BJUXWZWEWVJKLO-UHFFFAOYSA-N 384.499 2.615 0 40 GFAB O=C(NCCCOC1CCCCC1)c1cccc(S(=O)(=O)NC2CC2)c1 11355998 XKLFKBRBEPUCRN-UHFFFAOYSA-N 380.510 2.597 0 40 GFAB NC(=O)N[C@H](CC(=O)NCCCn1cnc2ccccc21)c1ccccc1Cl 12797367 JYJAKEQXPTWYFE-QGZVFWFLSA-N 399.882 2.996 0 40 GFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 408590778 KYJLOVHIEHNOOB-HNNXBMFYSA-N 382.526 2.980 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cn1cccc(C(F)(F)F)c1=O 12945651 NKVZUKWLERVSQS-UHFFFAOYSA-N 395.381 2.581 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1 12924853 XRGUPHTVBZCORQ-GOEBONIOSA-N 393.443 2.702 0 40 GFAB Cc1cc(C)cc(N(CCCC(=O)NCc2ccncc2)S(C)(=O)=O)c1 113966961 PTTADUCSMKCHDH-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2)CC1 4121754 UIXKQJGSTXPLPW-UHFFFAOYSA-N 390.553 2.994 0 40 GFAB Cc1cc(C)n(-c2ccc(SCC(=O)NC(=O)Nc3ccccc3)nn2)n1 8753344 BHDPGALRSCNZSG-UHFFFAOYSA-N 382.449 2.720 0 40 GFAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 408628371 RYLWIFBJIIYGDQ-UHFFFAOYSA-N 388.518 2.543 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 6271197 IPSDMRLCTDYETB-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB Cc1cc(O[C@@H](C)C(=O)NCCCn2ccnc2)c2c3c(c(=O)oc2c1)CCC3 5208077 PCKJLJLHKPBDRG-HNNXBMFYSA-N 395.459 2.760 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)NCCc1ccc(C(F)(F)F)cc1 14019968 YCCGFLYRCNJKOR-UHFFFAOYSA-N 375.350 2.774 0 40 GFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 14228084 LMEIQYOTOLJDMT-AWEZNQCLSA-N 375.428 2.625 0 40 GFAB COc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c1OC 4878769 YJVDYXZHCDJIKH-KRWDZBQOSA-N 399.451 2.855 0 40 GFAB O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn12)N1CCCCC1 15776368 MIGGSSPWFYVTKT-UHFFFAOYSA-N 382.443 2.821 0 40 GFAB CCCN1CCc2nc(SCC(=O)Nc3cccc(F)c3)nc(O)c2C1 67291842 CMDRKQVQTQIJBW-UHFFFAOYSA-N 376.457 2.820 0 40 GFAB COc1ccc(O)c(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c1 96001085 PAKHFUVJEOFQGJ-MRXNPFEDSA-N 381.388 2.665 0 40 GFAB C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nncn1C 96009400 HORYXKCIPPMZKH-HIFRSBDPSA-N 386.504 2.631 0 40 GFAB CCC[C@H]1NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 16694775 VBOMHYDYJACAKG-OAHLLOKOSA-N 384.402 2.505 0 40 GFAB O=C(CN1CC[C@H](c2ccccc2)C1)NCc1ccccc1CN1CCCC1=O 71844051 UZLSYSCPTSUUAQ-QFIPXVFZSA-N 391.515 2.915 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 408597457 WMFRDFIOBQOVBQ-HXUWFJFHSA-N 386.517 2.897 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2cc(F)ccc2Cl)cc1OC 72330166 MACZRBDLTPIGOD-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB CC(C)[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 84410410 INKYLOFYLWEYLF-KRWDZBQOSA-N 396.896 2.888 0 40 GFAB c1ccc(-c2cc(N3CC[C@@H](OCCN4CCCCC4)C3)n3ncnc3n2)cc1 84560048 ZVYFCMQXOBZEDQ-LJQANCHMSA-N 392.507 2.873 0 40 GFAB C[C@H](CCNCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 78998856 GMQVFTJGQAMUBN-GOSISDBHSA-N 388.533 2.991 0 40 GFAB Cc1nc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)cc2o1 95461213 VZLBTYJSKUEKEV-ZBFHGGJFSA-N 383.404 2.782 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCn1cccn1 95998430 CGRYUTGXLMJJDS-LJQANCHMSA-N 379.464 2.676 0 40 GFAB C[C@H](NC(=O)c1csc(-c2cc3ccccc3o2)n1)C(=O)N1CCOCC1 95956679 YEKZUXCMTWWQFQ-LBPRGKRZSA-N 385.445 2.533 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1cnccn1 95998574 VTHSPBISWSNKBC-GOSISDBHSA-N 381.411 2.632 0 40 GFAB Cc1cccc2c1nc(SCC(=O)O)n1nc(-c3ccccc3)c(=O)nc21 89689022 BXMJLXSNTVBSPG-UHFFFAOYSA-N 378.413 2.790 0 40 GFAB COc1c[nH]c(C(=O)NCCn2ccc3ccc(Br)cc32)cc1=O 524734387 AFNYWBWEVDYATD-UHFFFAOYSA-N 390.237 2.531 0 40 GFAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(Cl)cc2F)cc2c(O)nnc1-2 524734478 JNMJUQFVAWPQAT-ZDUSSCGKSA-N 393.758 2.732 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)C2)n1 525992983 XSVUDDXHLRBEPF-NDHMDMQISA-N 391.515 2.961 0 40 GFAB COc1cc2nc(NC(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)[nH]c2cc1OC 527196074 KKAHMXJTKIRWQO-DMTCVQMQSA-N 385.342 2.875 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1OC 31075442 IEKIKUZZWFNNGL-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccnn1C)N(C(=O)c1ccncc1)CC2 72342700 XQOHVBVLNAYYPE-HXUWFJFHSA-N 378.432 2.620 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 70640224 JDIZMEINYABUPT-MRXNPFEDSA-N 396.365 2.892 0 40 GFAB O=C(CN1CCOCC1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349698 TYGIYWVVNNYRIP-UHFFFAOYSA-N 379.504 2.711 0 40 GFAB Cc1ncc2c(SCC(=O)NCc3ccc(F)c(Cl)c3)ncnc2n1 62006851 CXXSLQAMPTXVDV-UHFFFAOYSA-N 377.832 2.929 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)N1CCc2ccccc21)S(C)(=O)=O 220341905 FTYJTHDCDCRHMG-OAHLLOKOSA-N 388.489 2.747 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44842225 HORRVQGVGSLVIS-KRWDZBQOSA-N 394.880 2.526 0 40 GFAB CC(C)Oc1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 223517876 XVZAXDRPIGLLKV-UHFFFAOYSA-N 384.483 2.721 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(Cl)cc1 224656086 BAEAHTAYXFOGJG-UHFFFAOYSA-N 390.958 2.898 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1C 224213622 XAZBAQQQMDWHJG-UHFFFAOYSA-N 390.509 2.571 0 40 GFAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NS(=O)(=O)c2cccnc2)C1 77200266 RVZUVIJZVOXILN-CVEARBPZSA-N 375.450 2.920 0 40 GFAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 226320819 NAYFKERATFMCGJ-XWKQNIGYSA-N 388.489 2.823 0 40 GFAB CC(C)Cc1n[nH]c(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)n1 95477843 CRPBQIGZJWLMIS-UHFFFAOYSA-N 386.843 2.519 0 40 GFAB COc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)cc1 94993044 DFBGFBISZFOPIP-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB CC(C)n1cnc2c1[C@@H](C(=O)NCc1ccncc1)N(Cc1cccnc1)CC2 96147247 MXAUFGQWFCZHNV-NRFANRHFSA-N 390.491 2.670 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)NC1CCCCC1)C2 96238031 JHFLSOVQNPGQHD-OAQYLSRUSA-N 388.487 2.591 0 40 GFAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 245237568 NUJOYCPWMBWKSL-BXWFABGCSA-N 382.526 2.966 0 40 GFAB Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2ccnc3c2ncn3C)c1 585083720 ASLCLSHJVHHQSU-UHFFFAOYSA-N 391.475 2.936 0 40 GFAB Cc1nc2cc(CCC(=O)N(C)[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)ccc2[nH]1 257205407 AYWOONRUBRIHRW-KCZVDYSFSA-N 395.507 2.922 0 40 GFAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nc1C 257283788 OZVWRJXGWBFSMR-LJQANCHMSA-N 394.519 2.639 0 40 GFAB CN(C)CC(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257227627 FQEPTQJXFDXBDJ-LPHOPBHVSA-N 397.441 2.749 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@H]3C4)s2)c1 260769728 QSMIBWWMGFMYFD-OBJOEFQTSA-N 392.506 2.566 0 40 GFAB C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)c1ncc(Br)cn1 624112416 WVDPTAILOGBTJT-NHYWBVRUSA-N 391.269 2.741 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)c2cccc(-n3ccnc3O)c2)CC1 650988164 VYQMKFKGQKJICC-UHFFFAOYSA-N 392.459 2.939 0 40 GFAB Fc1cccnc1OC1CCN(Cc2ccc(OCC(F)(F)F)nn2)CC1 653648399 WSIRCUBAWGASLZ-UHFFFAOYSA-N 386.349 2.995 0 40 GFAB O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl)c1ccccc1 96366934 KZJYXCSGGLWGEK-AWEZNQCLSA-N 399.921 2.967 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390827610 ZROSGLJBSXRWLB-QGZVFWFLSA-N 397.836 2.749 0 40 GFAB O=C(CCn1cncn1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393441 ZZRIESCKTWLTBL-UHFFFAOYSA-N 399.514 2.900 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2)cc(OC)c1OC 3296885 RDZLWBISLTYSRN-MDZDMXLPSA-N 385.416 2.585 0 40 GFAB CC(C)OCCCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 12743968 MTTJSSRCYRUZFX-UHFFFAOYSA-N 387.457 2.609 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 13672448 QCMWYBVJGSJJMD-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CC(C)(C)c1cc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)[nH]n1 19083635 YMFWQUGHTVRETE-OAQYLSRUSA-N 382.464 2.504 0 40 GFAB c1cncc(Oc2nc(N3CCCC3)nc3c2CCN(C[C@H]2CCOC2)C3)c1 19339878 XEQZSDFANIGZFY-MRXNPFEDSA-N 381.480 2.659 0 40 GFAB CCn1nc(C)c([C@H](C)NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C 19523792 ZKWNKGBOFXJUKN-NSHDSACASA-N 399.900 2.984 0 40 GFAB CCn1c(CNc2cccc(Cl)c2)nnc1SCCN1CCOCC1 19822865 SUGLVMMTIZYLEB-UHFFFAOYSA-N 381.933 2.988 0 40 GFAB O=C(Cc1ccccn1)N1Cc2nc3cc(-c4ccc(F)cc4)nn3c(O)c2C1 100215575 IFKAYLMYHWVYCN-UHFFFAOYSA-N 389.390 2.721 0 40 GFAB COc1ccc(CCNC(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)cc1 11613560 LZMULYOONVIESF-HNNXBMFYSA-N 387.505 2.771 0 40 GFAB CO[C@H](C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1)C1CC1 668292513 IIKCYCPXEXBCHU-ILXRZTDVSA-N 382.254 2.501 0 40 GFAB COCCCNC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907257 CKMOFUCDSSONLG-UHFFFAOYSA-N 389.502 2.692 0 40 GFAB COc1ccc(CCN2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 1889138831 SUMOBXVVYUKJQP-UHFFFAOYSA-N 381.524 2.759 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3ccc(F)cc3Cl)CC2)on1 30154942 SHFPXMKGMRPLRI-CYBMUJFWSA-N 380.851 2.920 0 40 GFAB CO[C@H](NC(=O)N[C@@H](OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3137453 MBYIBLBGRZGQGT-IMJSIDKUSA-N 382.886 2.971 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1cccc(F)c1 4853630 IGQOGVZVOJSNAT-UHFFFAOYSA-N 383.401 2.807 0 40 GFAB COc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc1OC 11738069 PTDBWIXWVVKKRA-UHFFFAOYSA-N 388.449 2.573 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)Nc1nccs1 12361090 AZECZMWKVCVLGJ-UHFFFAOYSA-N 388.883 2.639 0 40 GFAB O=c1c2nccnc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1ccccc1 16842640 ODCCIZMNBUGNMV-UHFFFAOYSA-N 396.809 2.842 0 40 GFAB Cc1ccc(C(=O)N2CCC(F)(F)[C@]3(CCN(c4ncc(F)cn4)C3)C2)cn1 2055806551 CLAOZNSINALUQN-GOSISDBHSA-N 391.397 2.697 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Nc1ccc2c(c1)OCO2 22506017 FLJANLQCRIAPHY-UHFFFAOYSA-N 389.433 2.908 0 40 GFAB COc1cc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc(OC)c1OC 23127998 HKKUVVSZMZLAMO-UHFFFAOYSA-N 388.464 2.947 0 40 GFAB COc1ccc2sc(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)nc2c1 2086889531 OYQQOLKLGARMFR-GFCCVEGCSA-N 381.523 2.698 0 40 GFAB COc1ccc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)cc1F 225764371 SBZMSGYSGQPEPT-UHFFFAOYSA-N 383.408 2.931 0 40 GFAB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)c(CN3CCOCC3)coc2=O)C1 201909273 AUQJKRFFIDNGJN-HRAATJIYSA-N 376.497 2.578 0 40 GFAB O=C(CSc1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1)NC1CC1 31243802 KRZIUXNQJSNSHZ-OAHLLOKOSA-N 398.484 2.627 0 40 GFAB O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccc(Cl)c1 2966887 SQZKUSDMHKXXOP-HNNXBMFYSA-N 398.875 2.714 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc(OC)c1OC 3451686 UEJWCIUBOYFJKH-UHFFFAOYSA-N 381.331 2.786 0 40 GFAB O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12 4222807 BMYDXSFPZVRJMP-BSDSXHPESA-N 383.404 2.592 0 40 GFAB biogenic,in-vitro CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 4352407 NMGHKQXNYNLIRO-UHFFFAOYSA-N 396.399 2.534 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)/C(=C\c2ccc(F)cc2)n2ccccc2=O)C1 4690582 VFXKNEGKUNYYAM-WFVLPUPGSA-N 398.434 2.787 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1 4749352 MRJKGESTADYIBK-MRXNPFEDSA-N 397.450 2.536 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1C(C)C 4879212 HBIITZINHBSFOV-UHFFFAOYSA-N 394.497 2.796 0 40 GFAB CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1ccc(C)cc1 4911398 RYKNBMGSJLJUCG-MRXNPFEDSA-N 386.477 2.692 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1 5136698 PODKEFNXFISCBH-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NCc1ccccc1 5168517 WEPDDNCHBCATOF-UHFFFAOYSA-N 376.445 2.595 0 40 GFAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)NCc1ccc(Cl)cc1 5218976 FDHWHELPSBIYPF-RUZDIDTESA-N 379.865 2.941 0 40 GFAB CC/C(NCCc1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 5625190 WZVZNXYCVMXPHM-VHEBQXMUSA-N 393.443 2.774 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 5677746 OUUNCBJDBVNQPX-OAHLLOKOSA-N 380.400 2.652 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(N2CCCC2=O)cc1 5936902 FHNFDAIJOQLRRF-UHFFFAOYSA-N 385.489 2.653 0 40 GFAB CN(CC(=O)OCc1nc2ccccc2s1)S(=O)(=O)c1ccc(F)cc1 6001259 QJWQNSAVOYEHIW-UHFFFAOYSA-N 394.449 2.799 0 40 GFAB CC(C)(C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 6106633 WEGCWLXZNMIXIC-UHFFFAOYSA-N 397.427 2.869 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)cc(OC)c1OC 6611003 CYACVBMDEPTFOG-CQSZACIVSA-N 399.443 2.843 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)N(C(C)C)C(C)C)nc1 7051999 QYWWAWXVRDKGBB-UHFFFAOYSA-N 387.571 2.850 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2c(C)noc2C)cc1 7518770 WOMJYCQSQFPRGI-UHFFFAOYSA-N 379.482 2.893 0 40 GFAB Cc1cc(OCC(=O)OCC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 8276674 DBCFCDJFZAERBN-UHFFFAOYSA-N 396.848 2.857 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)c1 8336173 DZURJKJYENJAJY-LICLKQGHSA-N 383.379 2.674 0 40 GFAB COc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1 8475898 XBAUVXMVOGZYQY-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)cc2c1C 9477058 BBRPJJPGMBIPEB-UHFFFAOYSA-N 377.400 2.927 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1cc2ccccc2o1 9546823 TUUDXKYRVVXTSI-OCCSQVGLSA-N 387.465 2.568 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2Br)c1 10547204 XACZBPYZVXLLMQ-UHFFFAOYSA-N 383.267 2.751 0 40 GFAB Cc1n[nH]c(=O)c2c(NC(=O)CN(Cc3ccc(F)cc3)C3CC3)oc(C)c12 10905743 YNHOJHWAFLUWMW-UHFFFAOYSA-N 384.411 2.875 0 40 GFAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1NCCOC 12528382 IXMNDYRLIUGGEZ-OAHLLOKOSA-N 399.557 2.694 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(Cl)n3C)CC2)c(C)c1 12911327 ITASQZQEHZUPLG-UHFFFAOYSA-N 396.944 2.505 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 13580972 PKRSFPFREXLLKC-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 14115454 UXGDHCNYPDYNQJ-UHFFFAOYSA-N 380.400 2.869 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)c1 14118938 GKZQYRYSLSQWRG-UHFFFAOYSA-N 388.439 2.810 0 40 GFAB O=C(Cc1csc(-c2ccccn2)n1)NCCc1ccc2c(c1)OCCO2 14634814 MROBEQJPWXPGKC-UHFFFAOYSA-N 381.457 2.878 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1C 14774844 KHOAJONVYFXQPJ-GOSISDBHSA-N 399.491 2.994 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N(C)C 16576363 QRHZRJOYRFBCGI-HNNXBMFYSA-N 390.505 2.697 0 40 GFAB CCC(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 17078279 CNEYWRLSUIKRPO-UHFFFAOYSA-N 383.429 2.719 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)c(Cl)c1 18184083 NCROJOFGYLRKNE-UHFFFAOYSA-N 384.263 2.978 0 40 GFAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC[C@H](C(F)(F)F)C1 18233188 SNCFYVTVVGYONQ-STQMWFEESA-N 398.381 2.612 0 40 GFAB Cc1ccc2cc(C(=O)N3CC[C@@H](c4nn(CCN)c5ncccc45)C3)[nH]c2c1 19221759 CRZRLLBHOINBCZ-MRXNPFEDSA-N 388.475 2.809 0 40 GFAB O=C(COc1ccc(F)cc1F)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19293075 LTHSTOJUSIJTBJ-KRWDZBQOSA-N 388.418 2.533 0 40 GFAB Nc1c(C(=O)[C@H]2CCCN(C(=O)c3ccccn3)C2)cnn1-c1ccc(F)cc1 19399958 OMSRWZJVECFYJB-AWEZNQCLSA-N 393.422 2.724 0 40 GFAB COc1ccc(CN(C)Cc2nc([C@H]3CCCNC3)cc(N(C)C)n2)c(OC)c1 19709993 DQATUMMZTYSZKI-INIZCTEOSA-N 399.539 2.659 0 40 GFAB Cc1ccc([C@@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 19863992 WIIAKJDQWGCZOG-SFTDATJTSA-N 384.476 2.545 0 40 GFAB CO/C(C)=C(\C1=C([N+](=O)[O-])Nc2ccccc2[C@@H](C(=O)O)N1)c1cccnc1 20477567 WLLXOMOUCICIPO-QZFKAFNDSA-N 382.376 2.746 0 40 GFAB Cc1cc2oc(=O)cc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)c2cc1Cl 23821765 FDOOQOMPEGUFKJ-KRWDZBQOSA-N 390.867 2.578 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 25069575 YKCLBOLFVUDIKL-UHFFFAOYSA-N 378.432 2.523 0 40 GFAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1cccs1 25080110 VZXMLOPVZPMRII-GDBMZVCRSA-N 386.473 2.830 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 25215928 TZCVELXQNKFJHH-UHFFFAOYSA-N 386.471 2.530 0 40 GFAB COc1ccc(OC)c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 26330707 GZFQFXMDAJCBFN-GOSISDBHSA-N 382.460 2.677 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3O2)sc(C(=O)NC)c1C 26890473 YEOVFMZHLPLYJY-CYBMUJFWSA-N 388.445 2.535 0 40 GFAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)NC(=S)N1 27529821 JTFRAHMNXJXESF-SFHVURJKSA-N 382.441 2.952 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2ccccc2)C1 27910749 LPCHLPLWYWPIID-LJQANCHMSA-N 377.444 2.846 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)ccc1O 31860819 VJXYCGBOCOGNJF-LACYOAMESA-N 399.443 2.948 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(S(C)(=O)=O)c1 32772620 DGXRISNLOKFXRL-KRWDZBQOSA-N 389.477 2.875 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 32933110 CVOGSAMEJQPCEA-GDBMZVCRSA-N 390.509 2.506 0 40 GFAB Cc1nn(C)c2ncc(C(=O)O[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)cc12 36713400 SUGSOAWDZIHPLO-ZDUSSCGKSA-N 384.411 2.620 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](C)c2ccccc2C)cc1 40071301 JGAKFKTVKCTUJD-MRXNPFEDSA-N 375.494 2.642 0 40 GFAB Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 40142398 DRPPMLBBTBUVJL-CQSZACIVSA-N 396.476 2.523 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)Nc3nccn3Cc3ccccc3)cnc12 40151746 GVZSPTVAIUPSCO-UHFFFAOYSA-N 387.443 2.979 0 40 GFAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1Cl 44782841 QEGQVWXAABXXRT-KRWDZBQOSA-N 380.897 2.692 0 40 GFAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 48363201 UIRATWKTRFMIQU-QWHCGFSZSA-N 390.958 2.608 0 40 GFAB O=C1CN(c2ccc(NC(=O)NCCc3cccs3)cc2Cl)CCN1 48560020 VCFDUPOTKHVGMR-UHFFFAOYSA-N 378.885 2.702 0 40 GFAB Cc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3C)nccn2c1=O 49008557 IBQKWXVVFMFBIS-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2OC)c1=O 57427129 XAVFQCOLUKQTEK-UHFFFAOYSA-N 387.461 2.672 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl 57750230 CMRLVIALOCZMGO-OAHLLOKOSA-N 382.869 2.650 0 40 GFAB CC[C@@H](CCNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)N1CCCC1=O 58298532 LFPYRMUMNZYIKJ-INIZCTEOSA-N 397.483 2.588 0 40 GFAB COc1cc(OC)c(NS(=O)(=O)c2ccc(F)c(F)c2F)c(C(=O)O)c1 60376168 KTXYWOJHHRTVHS-UHFFFAOYSA-N 391.323 2.620 0 40 GFAB O=c1c(Cl)cc(C(F)(F)F)cn1CCS(=O)(=O)Oc1ccccc1 60887633 YDAZTJCYSSOTGF-UHFFFAOYSA-N 381.759 2.929 0 40 GFAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1 67284441 XAVULBUZRAEPGU-UHFFFAOYSA-N 384.390 2.789 0 40 GFAB COc1cccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)c1 67299397 SKFOGJSSZPHFHC-LBPRGKRZSA-N 386.477 2.548 0 40 GFAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccccc1)CC3 67349858 JFFNLWAJWJVUBV-UHFFFAOYSA-N 377.444 2.842 0 40 GFAB CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 67480628 YORVIHGSCGYWRP-IBGZPJMESA-N 379.460 2.527 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1 68300419 TXHAYTQRSXVNOX-UHFFFAOYSA-N 393.774 2.828 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1 71286626 KALWYJUPRPMCSS-LSDHHAIUSA-N 377.404 2.829 0 40 GFAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2)c1C 71327105 KEPSSSISXHNLQB-UHFFFAOYSA-N 379.420 2.795 0 40 GFAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)NCCCc1ccccc1 71769045 JUBHJAHTPATJBN-UHFFFAOYSA-N 381.451 2.942 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1F 71769068 HKFULCMACSJXKZ-UHFFFAOYSA-N 387.386 2.980 0 40 GFAB COC(=O)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(OCC(C)C)cc1 72285142 SWFRIPCFDWVEDB-LJQANCHMSA-N 377.481 2.835 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349688 LUJAMOCEMRKZJW-GOSISDBHSA-N 383.467 2.926 0 40 GFAB COC(=O)c1nc(NC(=O)c2nn(C)c(=O)c3ccccc23)sc1C(C)C 72403153 QJKIJNNGYVEKAF-UHFFFAOYSA-N 386.433 2.552 0 40 GFAB COc1cc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)ccc1OCC(N)=O 72404185 CYTZCESWWBZUTE-CQSZACIVSA-N 396.403 2.521 0 40 GFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(O)CCc2ccccc21 77200872 XPRHRZYJBLVVNK-KRWDZBQOSA-N 385.407 2.959 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3cccc(C)n3)C[C@@H]2C)c(OC)c1 78813392 SIHYZSBDJMYCGN-INIZCTEOSA-N 384.480 2.828 0 40 GFAB O=C(O)c1ccc(F)c(NS(=O)(=O)c2ccc(-n3cccn3)c(F)c2)c1 78814921 QDVQPDDBOOMDMW-UHFFFAOYSA-N 379.344 2.650 0 40 GFAB CC[C@H](C(=O)NCCCC(C)(C)CO)n1nnc(-c2ccc(Cl)cc2)n1 84718728 JHYCFPJJDUNXOE-OAHLLOKOSA-N 379.892 2.860 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)cc1 84726645 DFBMRDHMQGSPLS-AWEZNQCLSA-N 399.476 2.596 0 40 GFAB NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)CC1 89809623 RDRALVHQRCGBHR-UHFFFAOYSA-N 391.880 2.991 0 40 GFAB Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)Cc3cccc(F)c3)C2)n1 90592208 HIKJVIFYCRJHDQ-MRXNPFEDSA-N 381.411 2.517 0 40 GFAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cc(F)c(F)c(F)c1 96232327 IXSFYBQSTPXLBU-AWEZNQCLSA-N 377.322 2.553 0 40 GFAB COc1ccccc1[C@H](CNS(=O)(=O)c1cc(C)c(C)cc1OC)OC 96384985 DXHGHVNGLIMKFK-SFHVURJKSA-N 379.478 2.987 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccccc2OC)cc1 96385074 IVODFZRZSBAEQN-KRWDZBQOSA-N 394.449 2.540 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100864608 DVKNLPLLTBOOFE-CDMIOBSGSA-N 394.427 2.830 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 119929098 DJDHVTMQNYHQIN-KUDNYVPYSA-N 389.249 2.503 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCCC3)n2)cc1Cl 206726511 MLFKORDEBHJJKR-UHFFFAOYSA-N 396.900 2.526 0 40 GFAB CCOc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2C)c(OCC)n1 207982071 XEEYCANNYIYXNH-UHFFFAOYSA-N 381.454 2.700 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 219210808 UVASMUODWFQBHD-UHFFFAOYSA-N 395.459 2.832 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 220154865 ABEIIRCJOMDOSH-HNNXBMFYSA-N 376.478 2.508 0 40 GFAB CC[C@H](C(=O)NCCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220585488 BVCOHIGXAVZHCB-QGZVFWFLSA-N 378.469 2.729 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccccc2C(C)(C)C)C1 223730251 CUIJWDJALKGTNN-MRXNPFEDSA-N 396.553 2.541 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1N1CCCC1=O 223888299 DFEBJHLJTQDTPM-UHFFFAOYSA-N 392.452 2.782 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)N(C)Cc2ccc(OC)cc2)c1 225965247 PGPIERMBEQVRGV-UHFFFAOYSA-N 376.478 2.753 0 40 GFAB COCCCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Br 227159373 YDLGDTWXLVNFDK-LBPRGKRZSA-N 382.258 2.555 0 40 GFAB O=C(Cc1noc2ccccc12)NCCN1Cc2cc(Cl)ccc2OCC1=O 238944400 WHPUGJYYDKPCIV-UHFFFAOYSA-N 399.834 2.561 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 245171731 XSJDPCVCMFEPCM-QGZVFWFLSA-N 392.527 2.540 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1 245229732 DWOBIUSWWAXKKO-BMFAXAFESA-N 376.522 2.701 0 40 GFAB COc1ccccc1S(=O)(=O)NCC1CCN(c2ccnc(C)c2)CC1 253404913 RMKOBCCHHARDQZ-UHFFFAOYSA-N 375.494 2.594 0 40 GFAB Cc1nonc1COc1ccccc1C(=O)N[C@H]1CCCN(c2ccccn2)C1 257216213 CTORGAUCDYFWGI-INIZCTEOSA-N 393.447 2.751 0 40 GFAB CCOc1ccc([C@H]2[C@H](C(=O)NCCCn3ccnc3)CCC(=O)N2CC)cc1 257286362 PLGXRHUFVZFPBQ-CTNGQTDRSA-N 398.507 2.788 0 40 GFAB Cc1cccc(CN2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)c1 306126149 DOHBVEFBFKMHIV-UHFFFAOYSA-N 387.491 2.760 0 40 GFAB O=c1c(-c2ccc(F)cc2)nnc2n1CCC21CCN(Cc2ccccn2)CC1 306132189 LBEPPMSSQDYBDI-UHFFFAOYSA-N 391.450 2.777 0 40 GFAB Cc1ccc(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)o1 534322646 TWPRLPLUHIZVIE-MRXNPFEDSA-N 377.238 2.593 0 40 GFAB Cn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(-c2ccco2)n1 613991650 BMXRPXPWIHOVLY-GOSISDBHSA-N 394.475 2.701 0 40 GFAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CN1CCOCC1 618237609 FWRVEYXEQDVYHP-SFHVURJKSA-N 386.414 2.841 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1OC(F)F 623000939 SASGWDXODSZLJM-CQSZACIVSA-N 397.399 2.696 0 40 GFAB CCc1cccc2c(CC(=O)N3CCc4nc[nH]c4[C@H]3c3ccnn3C)c[nH]c12 633531148 JTUBVJXVARACQF-JOCHJYFZSA-N 388.475 2.904 0 40 GFAB O=C(O)c1cccc2c1CN(C(=O)[C@H]1C[C@@H]1c1ccc3c(c1)OCCO3)CC2 649258087 HKHMDHXWRSYGNW-SJORKVTESA-N 379.412 2.844 0 40 GFAB COc1ccc(CCC(=O)N2CCCN(C(=O)c3coc(C4CC4)n3)CC2)cc1 680843625 BYCRZSMPHINCKQ-UHFFFAOYSA-N 397.475 2.868 0 40 GFAB Cc1csc(C(=O)N2Cc3c(N4CCCC4)ncnc3-n3nccc3C2)c1 1565550581 DVKBKSQMSATOFU-UHFFFAOYSA-N 380.477 2.788 0 40 GFAB C=CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 1587630513 MFCIMEAPCNULMK-SAABIXHNSA-N 384.457 2.546 0 40 GFAB O=C(NCC(F)F)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595757 LFZMPUYWBWLURD-GJYPPUQNSA-N 398.425 2.615 0 40 GFAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccccc5Cl)C[C@@H]4C3)nn12 1888909624 PYTBFQJIPXQLBB-KBPBESRZSA-N 397.870 2.686 0 40 GFAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2nn(C)c4ccccc24)C3)nc1 1888922102 AOGRUJLABMMZIL-ZHRRBRCNSA-N 391.475 2.993 0 40 GFAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)[C@@H]4CCC[C@@H]4N)CCO3)n2)s1 2037835845 BXCOCQFWOMZAPU-IJEWVQPXSA-N 387.509 2.617 0 40 GFAB COc1cccc(CN2CC[C@H]3C[C@H](C(=O)N(C)Cc4ccccn4)O[C@H]3C2)c1 2055718347 DJHUWSIARDCLGG-BWAGFHJFSA-N 395.503 2.728 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1Br 45749453 WEHDILCCXYKCDP-OAHLLOKOSA-N 395.297 2.660 0 40 GFAB O=C(NCCSCc1ccsc1)c1cccc(S(=O)(=O)NC2CC2)c1 32778185 AWPRUAGGKYAXMQ-UHFFFAOYSA-N 396.559 2.852 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CN2CCc3sccc3C2)cc1 52432877 BEIQYAQFYWOLPC-GOSISDBHSA-N 399.516 2.745 0 40 GFAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccccc1 4860932 KEGRJERPIQTFAC-UHFFFAOYSA-N 380.400 2.546 0 40 GFAB O=C(Cc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 6236808 ZJLBZFPXWNBBHO-UHFFFAOYSA-N 394.496 2.915 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 6356983 ZDENSFXCZFVCRT-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1Cl 2654424 RBMTWAIWVHSQPS-LJQANCHMSA-N 387.823 2.754 0 40 GFAB C[C@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)NCC1CCCCC1 6532853 MEWNENJCVLQABR-LBPRGKRZSA-N 377.489 2.975 0 40 GFAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)c1 6679806 NZPKFFRKBDMKEG-UHFFFAOYSA-N 394.518 2.947 0 40 GFAB CCN1C2=C(C(=O)CCC2)C(c2cccc(OCC(N)=O)c2)C2=C1CCCC2=O 6953059 UMLCNXMHCVPOEK-UHFFFAOYSA-N 394.471 2.984 0 40 GFAB COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCOc3ccccc32)CC1=O 7268736 KLYUVQPDKVLCTK-WBVHZDCISA-N 380.444 2.997 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccn3)o2)cc1OC 7365818 AANBLQXDCOMAQE-UHFFFAOYSA-N 386.433 2.803 0 40 GFAB CC(C)(C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 10842397 GFXDUOOIWWUBCN-UHFFFAOYSA-N 398.415 2.627 0 40 GFAB C[C@@H](C(=O)OCCOc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102628930 RCILBTYZIVHXSO-MELADBBJSA-N 379.840 2.826 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 8429758 STPYNQRBGYLNOD-UHFFFAOYSA-N 387.436 2.777 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 671017 QDJSDHKFEAZPII-UHFFFAOYSA-N 380.491 2.580 0 40 GFAB COc1cc([C@@H](C)O)cc(OC)c1OCC(=O)Nc1ccc2c(c1)OCO2 89904551 VVUYBMHREPFDLD-LLVKDONJSA-N 375.377 2.503 0 40 GFAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1-c1ccccc1C(F)(F)F 22836066 CYWGLKUGOJCWQS-CHWSQXEVSA-N 395.381 2.809 0 40 GFAB COc1cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc(OC)c1O 819295 YXBZELARZWXZSH-HNNXBMFYSA-N 376.497 2.880 0 40 GFAB CNC(=O)c1cc(Cl)ccc1NC(=O)CCCNC(=O)c1ccsc1 47384310 LZXXWDQOYAPEKY-UHFFFAOYSA-N 379.869 2.910 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104677259 YYHNDTIBWWZPRM-LUKYLMHMSA-N 397.475 2.857 0 40 GFAB Cc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 23865037 OUBZDLLOPZVXIE-UHFFFAOYSA-N 390.487 2.943 0 40 GFAB C[C@@H]1CN(C(C)(C)CNC(=O)NCCCn2cnc3ccccc32)C[C@@H](C)O1 54921669 FFVDFYMBOVVFPI-IAGOWNOFSA-N 387.528 2.613 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 24630606 GLYYJRRTMDVTPJ-QWRGUYRKSA-N 386.395 2.648 0 40 GFAB C/C=C/C=C/C(=O)N(Cc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 24864361 XUMPCZARQBCTBB-WOXYBUCVSA-N 382.464 2.584 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CN3CC[C@H](NC(=O)OC(C)(C)C)C3)n2)s1 106856522 LQUNVVHUEZBIMB-AWEZNQCLSA-N 390.509 2.837 0 40 GFAB C[C@H]1CCCN(c2ccccc2CNS(=O)(=O)c2cnn(C(F)F)c2)C1 54993651 CCSQCVHHOMRDPE-ZDUSSCGKSA-N 384.452 2.993 0 40 GFAB COc1ccccc1N1CCN(Cn2nnn(-c3ccc(C)cc3)c2=S)CC1 56552553 PDPAVQKEMIUVMX-UHFFFAOYSA-N 396.520 2.895 0 40 GFAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 12521125 YKFAXEIRGAHAOS-UHFFFAOYSA-N 388.898 2.829 0 40 GFAB Cc1cc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)ccc1Br 12544943 AXHAAPNLOAGNTH-ZDUSSCGKSA-N 388.265 2.822 0 40 GFAB CC(=O)N1CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1 52129266 KCNYFGJEECWMFW-UHFFFAOYSA-N 375.476 2.873 0 40 GFAB CCNC(=O)c1cccc(NC(=O)CNc2ccccc2N2CCCC2=O)c1 10180100 NGDFLLGCEOKCJJ-UHFFFAOYSA-N 380.448 2.614 0 40 GFAB CCN(CC)[C@H](CNC(=O)c1ccccc1S(=O)(=O)CC)c1ccco1 58190881 RTOWCBKSIRIXGJ-MRXNPFEDSA-N 378.494 2.886 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2cccc(F)c2)n2nnnc2N3)c1 10296868 KQXLJUYJOQPFRF-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB Cc1nc2cc(F)ccc2cc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 11065303 CIJYNVZBEJVBJR-UHFFFAOYSA-N 398.438 2.667 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 29085648 UWINVPVTJFJVDG-MSOLQXFVSA-N 379.391 2.547 0 40 GFAB COc1cccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 12753586 YEQJCXBUCDWVKX-UHFFFAOYSA-N 385.855 3.000 0 40 GFAB C[C@@]1(CSc2ccccc2C(=O)N2CCc3ccccc3C2)NC(=O)NC1=O 12783251 WZYSVFQBPLRCMZ-NRFANRHFSA-N 395.484 2.575 0 40 GFAB C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1nc(N)nc(N(C)C)n1 12888738 WUHZELBGSBXVHS-OLKPEBQYSA-N 386.460 2.801 0 40 GFAB C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)c(F)c1 12885966 GDMIXXKXPGWPJT-LBPRGKRZSA-N 380.416 2.996 0 40 GFAB COc1ccc(OCCNS(=O)(=O)c2ccccc2Br)cc1 12855426 NQPPCILREQVXIO-UHFFFAOYSA-N 386.267 2.815 0 40 GFAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c1 12985129 UDAHTVLRVSKYAJ-UTKZUKDTSA-N 388.464 2.520 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCCCCC2)cc1S(=O)(=O)NC(C)C 13074241 OPFZEFIIDVIOLT-PKNBQFBNSA-N 380.510 2.798 0 40 GFAB COc1cc(C(=O)OCc2cc(=O)n3ccccc3n2)ccc1OC(F)F 18034845 AMGXWXIKSAMOGX-UHFFFAOYSA-N 376.315 2.662 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 18182472 LHJQLLQRYBZHPS-AWEZNQCLSA-N 395.506 2.609 0 40 GFAB O=C(CSc1nnc2c3c4c(sc3ncn12)CCC4)NCc1ccco1 13691619 ATPLVTMPKMQIHH-UHFFFAOYSA-N 385.474 2.829 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccncc1 13692954 JGPXKHCCVWZLNC-CTNGQTDRSA-N 396.468 2.636 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@H]1COc2ccccc2O1 6053777 UBQVTECZFOPFCR-QGZVFWFLSA-N 390.823 2.586 0 40 GFAB CCc1nnc(NC(=O)[C@H](C)Sc2nnnn2-c2cccc(C)c2)s1 5033694 OGYGVMQZJUYWTR-JTQLQIEISA-N 375.483 2.504 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ncnc2sc3c(c12)CCC3 5262117 ZRNKAAHSYHNPGI-MRXNPFEDSA-N 395.484 2.875 0 40 GFAB CN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)Cc1ccco1 14085913 FJJCKRCPVYBCPD-UHFFFAOYSA-N 399.900 2.644 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(Cl)s3)C2=O)cc1 14117398 UYCXKECAQIEGMG-INIZCTEOSA-N 379.825 2.522 0 40 GFAB CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2ccccn2)CC1=O 14533482 PYUZCIITQQYIIX-LJQANCHMSA-N 399.466 2.747 0 40 GFAB Cc1cccc(N[C@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)c1 9338853 VGHRVOCMMBQHNA-INIZCTEOSA-N 395.440 2.725 0 40 GFAB COC(=O)c1cc(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)oc1C 5978407 DWGXNMUSJNMOSP-UHFFFAOYSA-N 389.448 2.750 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCCC1=CCCCC1 71333487 SPMDJYBBLWZNOO-GOSISDBHSA-N 384.524 2.913 0 40 GFAB COc1ccc(Cc2nnc(Nc3cc(OC)c(OC)c(OC)c3)[nH]c2=O)cc1 9305331 MBSRPYFYPRKHGO-UHFFFAOYSA-N 398.419 2.534 0 40 GFAB COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C/Nn1cnnc1 8210060 CJHBCQONHFOPAO-RQZCQDPDSA-N 395.806 2.712 0 40 GFAB O=C(NO[C@@H]1CCCCO1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 72059954 XYKPFIQBXBGFNG-HUUCEWRRSA-N 397.269 2.628 0 40 GFAB C[C@@H](CO)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 97202676 BTTDAJGGNAKBSP-AWEZNQCLSA-N 376.416 2.850 0 40 GFAB O=C(NC1CCCC1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95476293 RLQYJNCINQKIFR-JTQLQIEISA-N 391.269 2.737 0 40 GFAB COCc1cnc(CNc2cc(N3CCOCC3)c(Br)cn2)s1 556155905 BLDBUCVATKISIJ-UHFFFAOYSA-N 399.314 2.896 0 40 GFAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 20110550 PWJNDUNVDHCBKY-OAHLLOKOSA-N 376.478 2.508 0 40 GFAB COc1c(F)c(F)c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(F)c1F 408621421 MFENSMFBYWRIPW-UHFFFAOYSA-N 382.269 2.730 0 40 GFAB CC[C@H](C)NC(=O)[C@@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@H]2SC1(C)C 2119529 FNAYHWOEEFYCAK-XIWSCHCOSA-N 378.494 2.967 0 40 GFAB biogenic O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)Nc1ccc2c(c1)CCCC2=O 515997191 GDLIABJMZLBBIQ-PVKZKXHHSA-N 378.472 2.836 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 408552328 LXXUTICULAODMT-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CCOc1ccc(CCC(=O)N(C)Cc2cc([C@H]3CCCNC3)nn2C)cc1 72370178 NVGYAAWPJCXTKH-SFHVURJKSA-N 384.524 2.877 0 40 GFAB c1ccc(Cn2nnnc2CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 534316007 UFVACTJWYLGVJH-SFHVURJKSA-N 386.463 2.844 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccncc1 32998098 RPPAOANGYQLNJS-INIZCTEOSA-N 377.897 2.903 0 40 GFAB COC(=O)c1sccc1NC(=O)CN1CCN(c2ccc(C)cc2C)CC1 71775383 ICAVNYKDEINLEP-UHFFFAOYSA-N 387.505 2.912 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(c2cnccn2)CC1 70923072 KMEYVXQVEUQRIV-UHFFFAOYSA-N 380.901 2.633 0 40 GFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)CC1 78404070 RXDQBHRDWOYUGY-HNNXBMFYSA-N 387.505 2.563 0 40 GFAB O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cnn2c1CCC2 562691083 MDDQRUVQBVIZQX-AWEZNQCLSA-N 385.468 2.696 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 223638532 KMDBCKJJPPTCBF-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB COc1cc(OC)c(NC(=O)NCc2cc(C)nc(N(C)C)n2)cc1Cl 224233735 WDORSNZZWKAMSV-UHFFFAOYSA-N 379.848 2.843 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223254401 HEZUABSYFCHVGY-PMACEKPBSA-N 392.532 2.801 0 40 GFAB CCc1cc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1OC 225067723 XWLWDCCBLSKYLY-UHFFFAOYSA-N 378.475 2.972 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222427096 WWFDJJYNIMEPRM-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 48066032 FWILCURGPSGSGA-CPUCUTALSA-N 389.496 2.882 0 40 GFAB Cc1ccc(SCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 222681350 UAPDSONAWQWTMI-GOSISDBHSA-N 392.546 2.836 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935063 FYPVKJKFSVWYGD-BEFAXECRSA-N 388.489 2.708 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCCCN(C)CC(F)(F)F 40107490 RWNDTOPRRYWFOJ-OAHLLOKOSA-N 391.409 2.581 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1ccccc1C 96520911 JMFBFIXBQCBZPV-SNVBAGLBSA-N 386.105 2.907 0 40 GFAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCC2)c2ccc(F)cc2)cc1 95117117 DRMOIIBPWQYTGJ-IBGZPJMESA-N 392.496 2.786 0 40 GFAB O=C(Nc1ccc(F)c(C2CC2)c1)N1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 581764704 OBBQSCZQZGQNIQ-OAHLLOKOSA-N 380.427 2.886 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC(Oc2ncccc2Cl)CC1 96096866 MCRDXFJSXFZXTP-UHFFFAOYSA-N 398.850 2.515 0 40 GFAB CN(C)CC(=O)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257313762 UUAFHPMMILUZIX-LBPRGKRZSA-N 394.401 2.512 0 40 GFAB Cc1cc(CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)cc(C)n1 643383551 AFEPHJOSRZRXDA-WFASDCNBSA-N 379.507 2.866 0 40 GFAB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(F)c(F)cc2C(=O)O)CC1 634876708 UTYJNYFMBQTSJR-NSHDSACASA-N 382.407 2.676 0 40 GFAB CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)C[C@H]1CCCCC1(F)F 660150571 JRZXQVIPLDNJAQ-HZPDHXFCSA-N 394.528 2.717 0 40 GFAB O=C1NCC[C@]1(C(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCC1 624048743 UQRRUYPYRCKMEV-QHCPKHFHSA-N 383.536 2.506 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(-n3nnnc3C)c2)c(OC)c1 58247573 LKIPWTVTUIINJX-JXMROGBWSA-N 379.420 2.948 0 40 GFAB CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 67494131 PALOBDNSOURVJA-SFHVURJKSA-N 399.878 2.872 0 40 GFAB CN(C(=O)c1csc(-c2ccoc2)n1)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 1615611008 IDCFOTDXRCWPEI-AWEZNQCLSA-N 399.476 2.513 0 40 GFAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 5825535 VTUBHADBCXCYLY-GFQCNRQUSA-N 385.460 2.737 0 40 GFAB aggregator,biogenic Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nnn1-c1ccccc1F 11616004 BEPFFXYAKRBSLZ-UHFFFAOYSA-N 394.454 2.719 0 40 GFAB COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccc(C)cc3)nn21 14607329 FCVOEYICKJRVLD-OAHLLOKOSA-N 377.404 2.784 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19331614 KPRJGWZSIKHRLY-DYESRHJHSA-N 384.501 2.841 0 40 GFAB Cn1c(=O)cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)[nH]c1=O 19714459 CTXIJZAYPYDLMI-UHFFFAOYSA-N 378.413 2.603 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(-n3nc4ccc(N)cc4n3)cc2)cc1 226306390 XYZYADGCJGSKRD-UHFFFAOYSA-N 395.444 2.812 0 40 GFAB CCOc1ccccc1CN1C[C@@H]2[C@@H](CC[C@@]2(O)c2cnc(OC)nc2OC)C1 12124784 TVEHMTKPDLKLSR-QXATTWAWSA-N 399.491 2.622 0 40 GFAB CCN1C[C@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12274937 CSPDHEYWKWFOLL-QAPCUYQASA-N 393.491 2.537 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)CCc2nccs2)CC1 556676769 SWMPKEPXSLMPFK-UHFFFAOYSA-N 399.476 2.685 0 40 GFAB COc1cc(OC)c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)[nH]c2c1 19590987 OHODINDZSCZIHL-UHFFFAOYSA-N 381.388 2.793 0 40 GFAB CCOc1ccc(CN2CCC[C@H](c3nc(COC)cc(=O)[nH]3)C2)cc1OC 19533824 ZLDCEUYJVYFCCH-INIZCTEOSA-N 387.480 2.703 0 40 GFAB C[C@H](C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)c1ccccc1 585148537 WKAVLSZSCMDCAG-ZDUSSCGKSA-N 397.397 2.608 0 40 GFAB Brc1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1 1888843166 RHVUJIRKRFRHLL-UHFFFAOYSA-N 375.274 2.623 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4cccnc4O)C[C@H]3C2)nc2ccccc21 1888897334 BBALFRGGVOBLRG-IYBDPMFKSA-N 391.475 2.926 0 40 GFAB COCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)cc1 1565555961 KOXKLSMPCDZERP-UHFFFAOYSA-N 393.487 2.883 0 40 GFAB CC(C)CCNC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2974440 WKMIYQXADBPXHP-UHFFFAOYSA-N 377.466 2.730 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCCc1ccccc1 4327145 FTNRLHZGNBOKAG-UHFFFAOYSA-N 390.472 2.637 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cc(C)ccc3C)CC2=O)cc1 9035921 WQBQBKAHKGFFTA-MRXNPFEDSA-N 388.489 2.643 0 40 GFAB Cc1nn(CC(=O)Nc2ccccc2F)c(=O)c2c1cnn2-c1ccccc1 12227877 FAGNIXJKMTUCSQ-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB O=C(c1ccc(F)cc1F)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 12443428 SXUAIIKKFHIXNR-UHFFFAOYSA-N 381.386 2.779 0 40 GFAB CC1CC(C(=O)N2CC[C@H]3OC[C@@H](C(=O)NCc4cccs4)C[C@H]3C2)C1 2055730348 YEGJZVYSEIXDDN-PRBAEBOXSA-N 376.522 2.664 0 40 GFAB O=C1COC2(CCN(Cc3ccc(F)c(F)c3)CC2)CN1Cc1ccccn1 2055824384 LOSIYIRFWHLKTA-UHFFFAOYSA-N 387.430 2.753 0 40 GFAB CCOC(=O)C1CCN([C@@H](c2cccs2)c2sc3ncnn3c2O)CC1 22610133 WSPLGHWTLFACPF-ZDUSSCGKSA-N 392.506 2.922 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)ncn2)n1 23144344 BZGJZJBLHVHZOQ-CMDGGOBGSA-N 388.475 2.641 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1C 244933250 CJDSAIBMRFAJSB-FQEVSTJZSA-N 384.457 2.949 0 40 GFAB COc1ccc2[nH]c3c(N4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)ncnc3c2c1 2113405 LBXOVHSMBNPCRC-KGLIPLIRSA-N 387.443 2.905 0 40 GFAB biogenic CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)cc1 101360736 XHJLRDJHRLTIKP-NVXWUHKLSA-N 398.802 2.809 0 40 GFAB Cn1nc(C(F)(F)F)cc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2809010 HQYGDTKCYXATNM-UHFFFAOYSA-N 384.325 2.883 0 40 GFAB CC[C@H](c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1)N(C)C 2650979 CWWWLGFXGQTJSE-MRXNPFEDSA-N 389.525 2.523 0 40 GFAB COc1ccc(Nc2nnc(SCC(=O)NC(=O)NC(C)C)s2)cc1 3542302 PJZCZVCIRYLRGN-UHFFFAOYSA-N 381.483 2.617 0 40 GFAB CCn1c(SCC(=O)n2cc(C)c(C)n2)nnc1-c1ccc2c(c1)OCO2 4280220 SJJUTKLAHZXCCO-UHFFFAOYSA-N 385.449 2.940 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4553365 BIKOHLLBMQDSFE-ZNLHFFCSSA-N 391.265 2.807 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7232230 FBJFTZIWHXXQTB-DOTOQJQBSA-N 396.443 2.787 0 40 GFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cc1n[nH]c(=O)c2ccccc12 32895238 STEVLEZYBFTURG-UHFFFAOYSA-N 397.385 2.869 0 40 GFAB COc1cc(CNC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)ccc1O 52638969 JHLHOOKZTGRDBW-MRXNPFEDSA-N 376.840 2.938 0 40 GFAB Cc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 52660880 GDBOASLPVIMHED-UHFFFAOYSA-N 393.470 2.967 0 40 GFAB Cc1ccc(C)c(OCCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 17852368 FXESCBFPFDLTRY-HNNXBMFYSA-N 376.478 2.597 0 40 GFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1nnnn1-c1ccccc1 17538263 GNQYCDXJABLKKW-UHFFFAOYSA-N 399.838 2.569 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]4C2=O)no1 9306012 RDSAJCPALDIDSY-PSFFPDNBSA-N 385.807 2.562 0 40 GFAB COc1ccc(NC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)cc1Cl 22725382 SAGHRBBNKGPFOV-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB Cc1[nH]c(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c(C)c1C(=O)OC(C)C 47229115 QAMWUJLZYKTBCV-QGZVFWFLSA-N 397.475 2.900 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2C1=O 43282210 LXABMEZTLFMZRR-INIZCTEOSA-N 396.447 2.711 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OC[C@@H]2CCCO2)c1 25397055 FQLSFGLMUPTAMF-KRWDZBQOSA-N 375.446 2.848 0 40 GFAB O=C(N1CCN(c2cnccn2)CC1)C1(c2ccc(Br)cc2)CC1 25343678 FDSUTQPFZBGUGI-UHFFFAOYSA-N 387.281 2.620 0 40 GFAB Cc1ccc(NCCOc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 12527210 ZTJNZCISJKOWHH-UHFFFAOYSA-N 394.468 2.646 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCc2cccc(F)c21 57117008 TWBLNHDSDJRVSH-UHFFFAOYSA-N 379.409 2.603 0 40 GFAB CCOC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O 1784742 OYLLNWCOXLMLCY-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB COC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 48007684 DEWCUFXUDDRORX-KRWDZBQOSA-N 387.436 2.570 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1ccc(F)c(Cl)c1 27029693 ITNNORWUCYBAOE-VQHVLOKHSA-N 396.871 2.858 0 40 GFAB Cc1n[nH]c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1Br 58208857 BLDBEMFVNITOEG-UHFFFAOYSA-N 378.205 2.735 0 40 GFAB Cc1cc(NC(=O)CN(C)C(=O)c2cc(Cc3ccccc3)ccc2O)no1 58281259 OTFXVTQXVGSYRB-UHFFFAOYSA-N 379.416 2.990 0 40 GFAB COc1cc(OC)c([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2121627 UCESPARULGXJHG-QRWLVFNGSA-N 382.416 2.882 0 40 GFAB biogenic,in-vitro C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C[C@H](O)c3ccccc3)CC(=O)N21 2105220 PNJBYUKBHJXKKR-UAOJZALGSA-N 389.455 2.558 0 40 GFAB biogenic COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 2205032 ABLMTAFPLXZWFF-CYBMUJFWSA-N 395.242 2.868 0 40 GFAB CC[C@@H](C)NC(=O)COC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 11062079 XIYXLQBQHBHDSN-LLVKDONJSA-N 391.493 2.564 0 40 GFAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408550820 FJQSMIASTLYVHH-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB Cc1ccccc1OCCN(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 12786010 NBOKMXDKNRXOPD-UHFFFAOYSA-N 385.855 2.839 0 40 GFAB Cn1ccc(C(=O)N[C@@H]2COCc3c2cnn3-c2ccc(C(F)(F)F)cc2)n1 306134271 NHLVYOYTCAFFRV-OAHLLOKOSA-N 391.353 2.626 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccccc1Cl 12823782 DDKCUPUHVRNJCX-UHFFFAOYSA-N 380.897 2.997 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)CSc1nccn1-c1cc(C)cc(C)c1 12800759 VKHWHMWYJAYPRK-UHFFFAOYSA-N 388.537 2.954 0 40 GFAB O=C(CNC(=O)C1CCCCC1)OCc1cc(=O)n2c(n1)sc1ccccc12 3440157 NWTDOQSPOCCAKA-UHFFFAOYSA-N 399.472 2.649 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc(C)cc2)c1 3498994 ASBHCTZIKMNMMO-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cnn(Cc2ccccc2)c1 12924124 GLLDSXUYQQNCMF-JNCYCUAHSA-N 389.455 2.845 0 40 GFAB COC(=O)CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 48623187 GHULGCPYLOPNRQ-HZPDHXFCSA-N 377.437 2.778 0 40 GFAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc2ccccc2c1 13014464 OCFLWEWNBVUTDU-UHFFFAOYSA-N 383.473 2.550 0 40 GFAB COC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 8746195 WDEQEFKZFFXDOM-MNOVXSKESA-N 382.210 2.841 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)CC3(CCCCC3)C2=O)n1 8745385 PVPOBFDVSRAOAZ-UHFFFAOYSA-N 380.452 2.715 0 40 GFAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)C1 20460728 CTBXJPNWXJLRLW-UYAOXDASSA-N 392.565 2.920 0 40 GFAB O=C(NCc1ccccc1Cl)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 13628946 ATDKRWXYQGLGHE-OEMYIYORSA-N 398.846 2.531 0 40 GFAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc12 19078750 GUBOBBYDVIFLCO-AREMUKBSSA-N 389.458 2.614 0 40 GFAB O=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 5392574 GMCKBHCVBJHYAH-UHFFFAOYSA-N 388.533 2.736 0 40 GFAB O=C(O[C@H]1CCCCC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6486029 GTAVPNMRJIOHAP-HNNXBMFYSA-N 385.869 2.793 0 40 GFAB CCN(CC)C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 409057293 JPLIXCHEFROCCT-UHFFFAOYSA-N 378.469 2.885 0 40 GFAB Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1C1CCCCC1 5865453 UYNMIJOPLRIYAY-UHFFFAOYSA-N 379.511 2.983 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NC1CCC(C)CC1 4997761 DBAWGFGQQNHNQB-UHFFFAOYSA-N 375.498 2.766 0 40 GFAB Cc1c(Cl)cccc1N(CCCC(=O)NCc1cccnc1)S(C)(=O)=O 113965945 ZEFUEIZIACIQNN-UHFFFAOYSA-N 395.912 2.906 0 40 GFAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ncc(Cl)cc1Cl 7036029 BNLXUYXTURNBRM-UHFFFAOYSA-N 397.247 2.801 0 40 GFAB CNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 67480629 YORVIHGSCGYWRP-LJQANCHMSA-N 379.460 2.527 0 40 GFAB O=C(CCCN1C(=O)CNC1=O)OCc1csc(-c2ccc(Cl)cc2)n1 7354190 JXOOKINVGSVFBL-UHFFFAOYSA-N 393.852 2.839 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1nncs1 7455440 FQPCTFHHSNIWGW-UHFFFAOYSA-N 395.473 2.912 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccco2)cc1 9239019 ZCWNEWOYAGSMCD-SJORKVTESA-N 399.476 2.654 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790130 KNBOXUQZZJMYHP-UHFFFAOYSA-N 384.465 2.699 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)nc1 96006657 UZXOTHPOPPJLPX-UHFFFAOYSA-N 379.507 2.889 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 7986417 RVTCCEBBROXDRL-KRWDZBQOSA-N 392.546 2.860 0 40 GFAB CC1CCC(N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 16455817 UFUWBCFPCPTLFX-VRGJXPMKSA-N 375.444 2.630 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NC(=O)Nc1ccccc1F 8092640 XRSBNJPEKBMXKA-UHFFFAOYSA-N 386.427 2.661 0 40 GFAB O=S(=O)(c1ccc(Sc2nnc(NC3CC3)s2)nc1)N1CCCCC1 8161653 XORVGWNWLVMSGJ-UHFFFAOYSA-N 397.551 2.833 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(O)c1 8241706 TXZKCUVLKQVECK-NRFANRHFSA-N 381.432 2.582 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408594304 OJOHLNNLEAGOFL-UHFFFAOYSA-N 383.514 2.799 0 40 GFAB COCCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O 78937966 QOAADIFGAPCZQF-UHFFFAOYSA-N 397.884 2.819 0 40 GFAB O=C(O)c1ccccc1CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 72401214 ZCNRJEWRUNFJLQ-UHFFFAOYSA-N 393.365 2.690 0 40 GFAB Cc1nc2ccccc2n(CC(=O)Nc2nc(-c3ccccn3)cs2)c1=O 95475209 QACCKMMSDVINIX-UHFFFAOYSA-N 377.429 2.862 0 40 GFAB COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 409383865 MHNVXSWPQIXVRL-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O)c1cccs1 408664060 YQJYXNWSQWEIBN-UHFFFAOYSA-N 376.821 2.791 0 40 GFAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 34858029 HETCKMDMYVXODH-UHFFFAOYSA-N 389.411 2.752 0 40 GFAB COc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 72321764 VYAYILQKLCEELC-BRSBDYLESA-N 395.377 2.722 0 40 GFAB biogenic,in-vitro Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCC1=CCCCC1)O2 38852455 RBHMEFPTAHSFJJ-GOSISDBHSA-N 378.494 2.529 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)C1CCCCC1 38753722 VZKJOPFKQIGOCB-UHFFFAOYSA-N 380.510 2.884 0 40 GFAB O=C(O)c1cccc(-c2nc(CN3CCN(c4cnccn4)CC3)cs2)c1 566358072 CVLVUCYZJPXOLX-UHFFFAOYSA-N 381.461 2.621 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157936 ATVUWTANLDAEFU-MSOLQXFVSA-N 392.496 2.544 0 40 GFAB Cc1ccc(C2(CNC(=O)N3CCN(C)[C@H](c4nc(C)no4)C3)CC2)c(C)c1 569074227 MCWKRNYAEMZIRU-SFHVURJKSA-N 383.496 2.725 0 40 GFAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)c(C)c1 225922854 GYEWRNZNWUNJNX-UHFFFAOYSA-N 394.468 2.979 0 40 GFAB COc1ccc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cn1 44414184 SHLVLFMEZDPQQW-UHFFFAOYSA-N 396.468 2.994 0 40 GFAB COc1ccc(/C=C/C(=O)N2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc1 40386161 VMYVFNZFVDDINU-YFPIXMDGSA-N 376.412 2.886 0 40 GFAB CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccc4)cn23)CC1 96267371 WLEHOMKKLQBPMO-UHFFFAOYSA-N 376.460 2.538 0 40 GFAB CC(=O)N[C@@]12CN(Cc3ccccc3)CC[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257302053 SBEVKOGLFZRWRB-WXFUMESZSA-N 391.515 2.987 0 40 GFAB CCn1cccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1=O 1672862754 UNNSBYKXDZDMBN-UHFFFAOYSA-N 391.431 2.837 0 40 GFAB O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 653331851 XCFTXBNUFCBZJF-TVFCKZIOSA-N 379.412 2.991 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3ncoc3C(F)(F)F)CC2)cc1F 665439021 WOEUJOAVTPEHBO-UHFFFAOYSA-N 387.333 2.799 0 40 GFAB COc1ccccc1CC(=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 90593591 QORBBDXVSNVOHI-UHFFFAOYSA-N 393.399 2.974 0 40 GFAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575421023 HKHIOQQQLYHIMM-RHSMWYFYSA-N 381.519 2.816 0 40 GFAB CN(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O 58203380 ZILHRVIPCCPBTJ-UHFFFAOYSA-N 379.404 2.593 0 40 GFAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccnc(-n3ccnc3)c2)c1 54629001 LTAYDHWXYBEGBW-KBXCAEBGSA-N 375.432 2.792 0 40 GFAB FC(F)CN1CCN(Cn2nc3ccc(C(F)(F)F)cn3c2=S)CC1 95957712 ARDXZAXPIPXUDC-UHFFFAOYSA-N 381.374 2.724 0 40 GFAB CCOC(=O)c1sc(NC(=O)CSc2ncnc3c2cnn3C)cc1C 11685800 BRYOCXPRLCXPLW-UHFFFAOYSA-N 391.478 2.641 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccccc1Cl 12146216 CNEILPSUWBDJGY-KRWDZBQOSA-N 383.835 2.930 0 40 GFAB COCCNc1ncc(-c2ccnc(N3CCOCC3)n2)c(-c2cccs2)n1 12253248 UCOWLBDRGAWWAB-UHFFFAOYSA-N 398.492 2.557 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 14607417 KIEPQVIROGFTKR-XHDPSFHLSA-N 399.274 2.900 0 40 GFAB O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 15099291 YKVUEMKQPYRXHL-UHFFFAOYSA-N 390.358 2.848 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19333204 UQYNSLRDJJOLPR-UHFFFAOYSA-N 398.463 2.981 0 40 GFAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1csc(-c2ccccc2F)n1 19500332 MTYXFVHFGXBJAB-OAHLLOKOSA-N 390.528 2.634 0 40 GFAB COc1ccc(C(=O)N2CC[C@](O)(c3ccc(C)cc3)C2)cc1N1CCOCC1 19716606 UVYHWCJWGPUMPH-HSZRJFAPSA-N 396.487 2.574 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cnc3sc(C)cn3c2=O)N2CCCC2)cc1 19717085 DYQOWTPNSSTTNW-GOSISDBHSA-N 396.516 2.940 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CCC(O)CC2)nc1-c1cnc(C)cn1 12156518 IMHRRQKWLBZPBI-UHFFFAOYSA-N 380.452 2.729 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)N2 19127579 VGJZTRFSESHAQA-ZQDZILKHSA-N 386.418 2.897 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NCC1CCN([C@H]2CCOC2)CC1 575605274 CIAZNSWEVSLJGX-HNNXBMFYSA-N 387.307 2.989 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccc(Br)cc2)n1C 6973059 GZRFOKYAEYGOOY-SECBINFHSA-N 397.298 2.786 0 40 GFAB O=C(N1CCC[C@H](COc2ncccn2)C1)C1(c2ccccc2)CCOCC1 1775995477 XTXNQEJQSGMITN-SFHVURJKSA-N 381.476 2.842 0 40 GFAB O=C(N[C@H]1CN2CCC1CC2)c1cnc(-c2cnc3ccc(Cl)cn23)s1 2037834886 CYPGGQMRLUFMAP-ZDUSSCGKSA-N 387.896 2.935 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nc3ccc(F)cc3s2)CC1 4583460 DYFQNJULBXOWJY-QGZVFWFLSA-N 399.447 2.924 0 40 GFAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc3ccccc3c2)cc1 9571153 ZGGRVDRMVDKWLT-UHFFFAOYSA-N 379.445 2.602 0 40 GFAB COc1ccc(NC(=O)C[S@@](=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 9828755 RGLPVNWVNDZALU-NDEPHWFRSA-N 399.472 2.851 0 40 GFAB COCc1cnc2c(c1SCc1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 15883825 YOFYPCMVNWDOCG-UHFFFAOYSA-N 391.880 2.724 0 40 GFAB Cn1nc(-c2cccs2)cc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1775966436 DVVDUXNOKHBDRV-CYBMUJFWSA-N 398.463 2.957 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H]3COC4(CCCCC4)O3)c2O1 49504150 SGUQFKOVYYQGAT-MRXNPFEDSA-N 375.465 2.971 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ccncc2)CC1 575413936 UOIDLTMIODXFPM-KRWDZBQOSA-N 375.469 2.851 0 40 GFAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccsc2)n1 575612491 ASEMNZSQRYDIDT-INIZCTEOSA-N 388.518 2.645 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc21 4885285 MRTUSGJMWZABOU-UHFFFAOYSA-N 383.223 2.695 0 40 GFAB COc1ccc(CCS(=O)(=O)NC[C@H](O)c2ccc(SC)cc2)cc1 96103218 KDTRKMFJOSRFLZ-SFHVURJKSA-N 381.519 2.613 0 40 GFAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc(C2CC2)cs1 40086884 ZCBQWGHDGOEECU-UHFFFAOYSA-N 394.522 2.786 0 40 GFAB COc1cccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1OC 40147013 YVRNMADXCOGVDG-UHFFFAOYSA-N 383.448 2.898 0 40 GFAB O=C([C@H]1CCCN(c2ncccc2Cl)C1)N1CCN(c2ccccn2)CC1 40134944 ZIIRWQDHPSQPMQ-INIZCTEOSA-N 385.899 2.695 0 40 GFAB Cc1nccc(-c2cccc(NC(=O)c3ccc(N4CCOCC4)nc3)c2)n1 20223739 FEVIIDGILDRLDJ-UHFFFAOYSA-N 375.432 2.936 0 40 GFAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCCc3ccccc3)nn1C)C2 32123847 GCVXSLUFBAWUHS-UHFFFAOYSA-N 377.444 2.981 0 40 GFAB biogenic Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O 71287698 CYLXOIKDWJXNIU-LBPRGKRZSA-N 381.823 2.858 0 40 GFAB COc1ccc([C@H](CNC(=O)c2sc(C)nc2C)N2CCOCC2)cc1 32668053 JAICHCOVUWJCIB-KRWDZBQOSA-N 375.494 2.572 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCCCC(=O)c2ccc(F)cc2)cc1 2622124 UEAOMISPRFCAAY-UHFFFAOYSA-N 393.436 2.896 0 40 GFAB COC(=O)c1cc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)ccc1OC 32784647 DBQBCMCSAQEJKK-UHFFFAOYSA-N 396.443 2.929 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)c(O)c2)cc1 6053266 SBNISOXMKJSOKA-SFHVURJKSA-N 383.404 2.676 0 40 GFAB COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)cc1OCc1ccccc1 6289800 KRTOQMHEGGOTSF-LPHOPBHVSA-N 379.416 2.686 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 7940017 NCPAPVLONOYYHX-UHFFFAOYSA-N 396.321 2.992 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc3ccccc23)n2nc(C)nc2N1 10157091 XDUJKIFHYHRUSL-FQEVSTJZSA-N 389.459 2.887 0 40 GFAB Cc1csc(=O)n1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8075436 VIFYESGPRGZNDQ-UHFFFAOYSA-N 383.477 2.842 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 32954631 OASCFUYZNALKPY-UHFFFAOYSA-N 386.411 2.900 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 2735073 FUDIWHHWXLFBFF-UHFFFAOYSA-N 382.507 2.826 0 40 GFAB CCn1cc(S(=O)(=O)NCc2ccccc2N2CCC[C@H](C)C2)c(C)n1 54993642 LAFLPGGUIYABCU-HNNXBMFYSA-N 376.526 2.926 0 40 GFAB COC(=O)c1c(CN2CCNC(=O)C2)nc2ccccc2c1-c1ccccc1 57756079 ZXCJOWDYIGFWQP-UHFFFAOYSA-N 375.428 2.620 0 40 GFAB COc1ccc(OC)c(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c1 801309 FSDWIQBGQVYRII-UHFFFAOYSA-N 391.427 2.712 0 40 GFAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C(N)=O)c2ccc(F)cc2)c1 23076614 QGVCDFVBYPVGLK-MRXNPFEDSA-N 385.424 2.684 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 983596 WJZHVJKWQZXCFJ-UHFFFAOYSA-N 398.431 2.917 0 40 GFAB O=C(CCSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OCCO2 942663 VTROMTXAGXMRGQ-UHFFFAOYSA-N 383.433 2.554 0 40 GFAB Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1 54679526 TZJOZZDHDACPFK-NSHDSACASA-N 391.371 2.845 0 40 GFAB COc1cccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)C[C@H]2C)c1 89939408 PIJCLGWBBVRSQH-CYBMUJFWSA-N 382.432 2.873 0 40 GFAB COc1ccc(CCC(=O)N(C)C2CCN(C(C)C)CC2)c(OC)c1OC 55117325 LPAPPOWMAGDNRV-UHFFFAOYSA-N 378.513 2.976 0 40 GFAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCOCC1 3215903 QWNQTUQKLNLBSR-UHFFFAOYSA-N 394.537 2.859 0 40 GFAB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092935 VCHULGRMZLQLLR-RLFYNMQTSA-N 394.349 2.805 0 40 GFAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@@H](C)c4ccccn4)C3)nc2)n1 77100776 NDGVBTQLLTYEOJ-WMLDXEAASA-N 392.463 2.929 0 40 GFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 20451863 OTMUEJSOEAXYRG-LJQANCHMSA-N 390.505 2.892 0 40 GFAB C[C@@H](C(=O)N1CCc2sccc2C1)N1CCCN(c2nccs2)CC1 58218386 QXDSNVBVZYYQNH-AWEZNQCLSA-N 376.551 2.690 0 40 GFAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2137000 CKCGCELKLYPRNW-UHFFFAOYSA-N 377.491 2.956 0 40 GFAB COc1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1C(N)=O 58380399 BBGKVYBAHIYPGS-UHFFFAOYSA-N 394.880 2.805 0 40 GFAB CCCn1c(=O)n(C[C@H](O)COc2ccc(C(=O)OCC)cc2)c2ccccc21 12764294 AKHGRNDGSGLMCN-KRWDZBQOSA-N 398.459 2.830 0 40 GFAB CC(=O)c1ccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 10827327 SMOMPSKYDMTNBB-IBGZPJMESA-N 386.473 2.521 0 40 GFAB O=C(CNc1ccccc1Cl)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11117001 BQXHQHDYRDWMEV-OAHLLOKOSA-N 378.881 2.972 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnn(C(F)F)c2)CC1 36614962 KGTJLNSOFFPPRI-UHFFFAOYSA-N 390.843 2.751 0 40 GFAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 48354838 DTSAGQJJDRURNB-HNAYVOBHSA-N 398.956 2.740 0 40 GFAB CC(C)c1ccc(NC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)cc1 12804895 WUMVAUMWLNDEES-UHFFFAOYSA-N 387.509 2.885 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 12941249 NMEOAXKVZQUNKO-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12914410 CDINYWUDMCEFBC-OXQOHEQNSA-N 394.427 2.911 0 40 GFAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)c(C)c2)c1 13070228 WEYKEBNXMUQUBO-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 13020388 ZQNWBBADMGHVBT-GFCCVEGCSA-N 384.306 2.663 0 40 GFAB CCCn1c(C23CC4CC(CC(C4)C2)C3)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4171232 IFGGDZVRHABWCB-UHFFFAOYSA-N 395.507 2.564 0 40 GFAB Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 6065560 VUMHWCJFEYATGP-MRXNPFEDSA-N 375.446 2.504 0 40 GFAB CC(=O)Nc1ccc2c(Cn3ncc(Cl)c(Cl)c3=O)cc(=O)oc2c1 6083122 GAEXMXQGLSLFBM-UHFFFAOYSA-N 380.187 2.663 0 40 GFAB COCCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1=O 92029217 NAMRXTSMWJNHIG-UHFFFAOYSA-N 388.489 2.663 0 40 GFAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NC[C@H]1CCCO1 4325707 BSIDWOSBIXXNBL-QGZVFWFLSA-N 377.444 2.749 0 40 GFAB CC(C)CN(C(=O)c1cccc(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 6507374 DNKXWLHIUYLNLF-UHFFFAOYSA-N 392.887 2.731 0 40 GFAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(OCC(=O)O)cc1 4642468 LWRVMWNLVIEFIU-UHFFFAOYSA-N 385.825 2.921 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(ccc3ccccc32)s1 8704984 IUSYEWRYSPSLOI-ZDUSSCGKSA-N 375.475 2.812 0 40 GFAB O=C(O[C@H]1CCOC1=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 5985634 FDDLSKQIZIJKKW-JICACKBISA-N 387.413 2.572 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1ccccc1Br 15831795 AYYNEVCPDGLGLX-HNNXBMFYSA-N 379.254 2.845 0 40 GFAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1cccc2nsnc12 19078330 LOJVWJMURGIQFY-UHFFFAOYSA-N 381.369 2.593 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2NC1=O 8016357 UHUBHYIPLIAKIV-LBPRGKRZSA-N 389.452 2.992 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(N2CCCC2=O)c1 8013464 ZCQMIAYAMASLST-UHFFFAOYSA-N 376.416 2.621 0 40 GFAB CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1ccccn1)C(F)(F)F 19939255 LBLCWFJFQHQSFW-MRXNPFEDSA-N 385.317 2.884 0 40 GFAB CCOC(=O)CN1CCC[C@H](OC(=O)c2ccc(CN(CC)C3CC3)cc2)C1 84777445 MYEURXRTRDJGEV-FQEVSTJZSA-N 388.508 2.855 0 40 GFAB COC(=O)C(=Cc1ccccc1OCC(=O)Nc1cccc(C)c1)C(=O)OC 409044209 UIGDEFBRASNLIL-UHFFFAOYSA-N 383.400 2.742 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(F)c1)S(C)(=O)=O 22251909 CAVWIVFWLKZOTE-UHFFFAOYSA-N 396.440 2.881 0 40 GFAB O=C(C1CCCCC1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556209 ZMMSSAVDIFJCCG-UHFFFAOYSA-N 382.464 2.630 0 40 GFAB Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)O)CC2)c1 67172510 KTLWZIMESZXDJR-UHFFFAOYSA-N 380.491 2.574 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1C 408551697 IGURTFSDSOLVAR-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(F)c(F)c1F 20030201 CFRDLDMDJCKLPC-UHFFFAOYSA-N 388.367 2.761 0 40 GFAB O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCSCC1 409135358 UNWOARAYUGCRTQ-UHFFFAOYSA-N 376.463 2.530 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1OCC 408697318 IYEVTMPDUWNEMW-UHFFFAOYSA-N 384.404 2.914 0 40 GFAB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(CC(=O)OC)C(=S)N1C 409209453 BSDWUFHKBPEKNC-WJDWOHSUSA-N 384.457 2.811 0 40 GFAB O=C(CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCOCC1 72348737 USSMUHQAXOKUOI-IBGZPJMESA-N 397.494 2.850 0 40 GFAB COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)NCC3)c1 70638291 FLRLNZBHVDXWQN-UHFFFAOYSA-N 375.222 2.996 0 40 GFAB COCc1cc(C(=O)O)cc(S(=O)(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c1 567796693 HGSHGANTIKMXHN-CYBMUJFWSA-N 391.445 2.816 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)NCCc1ccc(F)c(Br)c1 48355427 TZLQTYICFUGJAD-UHFFFAOYSA-N 393.256 2.985 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222442377 IVIODTRRGZWJPW-HNNXBMFYSA-N 390.505 2.897 0 40 GFAB CCN(Cc1ccccc1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 223707263 QBXQGIUBFMIVET-UHFFFAOYSA-N 376.478 2.510 0 40 GFAB CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(Br)cc3)n2)c1 77100495 QEOZLLKCRKYKIJ-UHFFFAOYSA-N 386.209 2.880 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2cccc(Cl)c2C)cc1 77184816 ZZGKYZCECVFWFD-GOSISDBHSA-N 383.897 2.929 0 40 GFAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCn2c(nnc2C(F)(F)F)C1 95478134 WRLRILOJVZFPPD-UHFFFAOYSA-N 396.760 2.996 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)c2cnccn2)n1 257340562 ZGROSCRBYVJESV-MRXNPFEDSA-N 378.436 2.776 0 40 GFAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCCN2C)c1 257318080 VMKKKWKKKXFYGJ-IBGZPJMESA-N 380.492 2.599 0 40 GFAB C[C@H](NC(=O)C(=O)NC[C@](O)(c1ccsc1)c1ccco1)c1ccccc1 253472481 MPMMCCMWDALYRC-XOBRGWDASA-N 384.457 2.571 0 40 GFAB CN1CCCC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 623597346 HFAFJDXNELOXPI-DLBZAZTESA-N 394.510 2.960 0 40 GFAB COc1cccc(Oc2ncccc2CNC(=O)c2c(O)nnc(C)c2C)c1 607330431 XVODYFWSZZFJRZ-UHFFFAOYSA-N 380.404 2.925 0 40 GFAB CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 96388346 AYRNQNDURVKRFM-GOSISDBHSA-N 379.453 2.666 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NCc2ccccc2Cl)c1 575420914 LAODOIDXFLOHPL-INIZCTEOSA-N 378.881 2.869 0 40 GFAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)s4)CC3)[C@H]2C1 585106118 NTDLEVDQWJFQFF-OIISXLGYSA-N 389.565 2.755 0 40 GFAB Cc1ccccc1C(=O)N1C[C@@H]2COC[C@@H](C(=O)Nc3cccnc3C)[C@@H]2C1 585108441 NBOMCJXIACQBQS-BHIYHBOVSA-N 379.460 2.672 0 40 GFAB O=C1CN(Cc2ccc(Br)cc2)[C@H](c2cc3ccccc3[nH]c2=O)N1 54706413 FGVBJQQIRDNZFD-GOSISDBHSA-N 398.260 2.921 0 40 GFAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 58331388 HCQXQFVEDJJNDR-MRXNPFEDSA-N 394.541 2.613 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 72393788 QCCASIZPFMFNSU-CYBMUJFWSA-N 381.436 2.535 0 40 GFAB Cc1ccc2c(c1)CN(C(=O)CCn1cc(Br)ccc1=O)CCO2 553168999 YZWCYXHTVKVKAA-UHFFFAOYSA-N 391.265 2.731 0 40 GFAB CN(CC(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2)C1CCCC1 1615121052 MJXFNKVZHXTEET-QHCPKHFHSA-N 399.535 2.676 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc2c1CCC2 5399232 DMIGIJPFWYRIKR-UHFFFAOYSA-N 397.456 2.541 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 11708724 FIJGCEPIBUIITK-LBPRGKRZSA-N 378.450 2.566 0 40 GFAB Cc1nc(C)n(CCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)n1 12195716 VSHJTWUPSLFWIH-UHFFFAOYSA-N 375.904 2.577 0 40 GFAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1F 13040307 ATKQLHRYYILNMK-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB COc1cc(C(=O)OCc2ccc(C(N)=O)cc2)cc(OC)c1Br 16547941 VROYBCKQQUHJMY-UHFFFAOYSA-N 394.221 2.922 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19331618 KPRJGWZSIKHRLY-UTKZUKDTSA-N 384.501 2.841 0 40 GFAB Cc1cn2c(=O)c(C(=O)NC[C@H](c3cccc(Cl)c3)N(C)C)cnc2s1 19660222 WOJKDPZOTUSNRF-OAHLLOKOSA-N 390.896 2.751 0 40 GFAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704607 IYZYUKDNORYUJY-CQSZACIVSA-N 396.488 2.504 0 40 GFAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cn2cnnn2)cc1 19714869 IWTSTOXNZIGGIB-UHFFFAOYSA-N 382.512 2.640 0 40 GFAB Cc1ccc2c(NC(=O)[C@@H](c3ccc(Cl)cc3)N3CCOCC3)n[nH]c2n1 19716650 YSTFHLZIMSJANY-MRXNPFEDSA-N 385.855 2.932 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(OC)c1 205808072 OKPKBOJXWUVHKY-MHWRWJLKSA-N 390.461 2.753 0 40 GFAB CO[C@H](CNS(=O)(=O)c1cn(C)c(C(C)C)n1)c1ccc(Cl)s1 225707052 BMTZQOIQHZAVFF-SNVBAGLBSA-N 377.919 2.924 0 40 GFAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2-c2ccccc2)c1 3427045 UHLFQSCGNUJTBD-LBPRGKRZSA-N 397.460 2.618 0 40 GFAB COc1ccc2nc(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)ccc2c1 2087143855 NANVDEOUPWQYQG-QGZVFWFLSA-N 391.418 2.706 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cc2ccccc2oc1=O 5075924 JJMCJTSWPCJTIR-UHFFFAOYSA-N 398.440 2.894 0 40 GFAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 9036001 BVOJFYACQPARCJ-AWEZNQCLSA-N 392.452 2.556 0 40 GFAB Cn1c(SCC(=O)NCCc2ccccc2)nc2c([nH]c3ccccc32)c1=O 13878703 MEDRSOUXBZUYMV-UHFFFAOYSA-N 392.484 2.866 0 40 GFAB Cc1nnc(SCC(=O)NC[C@H]2CCCO2)c2c1cnn2-c1ccccc1 23137537 ONUBGPISHRUXFS-OAHLLOKOSA-N 383.477 2.511 0 40 GFAB O=C(NCCn1nc(-c2ccco2)n(C2CC2)c1=O)c1cc2ccccc2o1 211075039 NEVRTIXVWPKASG-UHFFFAOYSA-N 378.388 2.816 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2cc(C)c(C)cc2C)OCCO)cc1 96338015 BZVJMEGTNBGBSL-IBGZPJMESA-N 377.506 2.949 0 40 GFAB COc1ccc(C2=CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)cc1 40119700 NALVNXCFXNBTAK-UHFFFAOYSA-N 390.443 2.506 0 40 GFAB COc1cccc(C(=O)Nc2nc3[nH]c(C)c(Cc4ccccc4)c(=O)n3n2)c1 100650711 ULPJIMGGJDZNSG-UHFFFAOYSA-N 389.415 2.578 0 40 GFAB CCCC1(CCC)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 8361182 OXJISRPGUNEJCC-UHFFFAOYSA-N 377.510 2.786 0 40 GFAB C[C@H](C(=O)NC1CCCCC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 8324005 XKAYZAPDDOCBIR-PEBXRYMYSA-N 383.492 2.780 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1C 1289450 CKSZDBFXYVPBSK-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COc1cc([C@H](C)c2cc3c(cc2OCCO)OCO3)cc(OC)c1OC 3053399 KCQPASVCUVLGJW-LBPRGKRZSA-N 376.405 2.964 0 40 GFAB O=c1cc(NCc2cccs2)[nH]c(=O)n1-c1ccc(Br)cc1 4033674 BEEQVGQIUAIYLJ-UHFFFAOYSA-N 378.251 2.962 0 40 GFAB CCOC(=O)COC(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12 21359818 SAUODSMTVBJHGC-UHFFFAOYSA-N 381.384 2.719 0 40 GFAB CCOc1ccc(CN(CC)C(=O)Cn2c(=O)cnc3ccccc32)cc1OC 32722682 JGLHIQAEPLGLDR-UHFFFAOYSA-N 395.459 2.853 0 40 GFAB COc1ccc(-c2noc(CN[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1 32797392 XCYJQTORPXJUDB-ZDUSSCGKSA-N 387.461 3.000 0 40 GFAB Cc1cc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)ccc1Cl 6390128 QPXZOMSKLQLOSA-UHFFFAOYSA-N 377.853 2.639 0 40 GFAB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 32814216 QJOWBKZJJRDCML-UHFFFAOYSA-N 377.462 2.856 0 40 GFAB Cc1c(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)[nH]c2c1C(=O)CCC2 29872366 CCVJJZIYVQUJHP-UHFFFAOYSA-N 383.433 2.645 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)c1 100453719 AVMJNCJSYBFURN-WBVHZDCISA-N 386.791 2.650 0 40 GFAB CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 22052750 MZCZWBBXIUXJDE-HNNXBMFYSA-N 380.400 2.716 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1S(=O)(=O)NC(C)C 37210464 AZKTTXDUHTWJFS-SQWLQELKSA-N 382.526 2.936 0 40 GFAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 9691311 IUNKCFMPPVLNDS-ATNYCFDYSA-N 382.460 2.738 0 40 GFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3cnc4ccccc4n3)n2)cc1 9951458 DPTLRVMBLVQLPN-UHFFFAOYSA-N 387.403 2.806 0 40 GFAB COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 815871 CSNZBQFHSWWFCR-UHFFFAOYSA-N 375.421 2.625 0 40 GFAB CN(C)C(=O)[C@@H]1CN(C(=O)Cc2csc(-c3ccco3)n2)c2ccccc2O1 22967407 HEFPGLRYXCUFJW-KRWDZBQOSA-N 397.456 2.828 0 40 GFAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1 23107880 PDGVDMBXASMUMX-HNNXBMFYSA-N 386.926 2.753 0 40 GFAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 22402140 BQEKCGMCVVGVAC-UHFFFAOYSA-N 399.516 2.719 0 40 GFAB O=C(NCCC(=O)N1CCN(Cc2ccccc2F)CC1)Nc1ccccc1 23702090 WAPFLYAOEDFSKS-UHFFFAOYSA-N 384.455 2.682 0 40 GFAB Cc1c(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)oc2ccc(F)cc12 24115822 MCEQRIKILJGRCN-UHFFFAOYSA-N 382.439 2.957 0 40 GFAB CCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 59328609 LDBGQFHIVWYMSJ-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O 57477429 XPFOTSVTFVDOHH-UHFFFAOYSA-N 385.851 2.543 0 40 GFAB O=C(CSc1nc2ncccn2n1)c1ccc(I)cc1 10074481 DYBRTWVZRQSHQF-UHFFFAOYSA-N 396.213 2.704 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccccc2O)CC1 58160706 IUJOUVAVWFABHZ-LBPRGKRZSA-N 379.382 2.959 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 11114631 NEOKUHVHGPICGR-UHFFFAOYSA-N 376.254 2.611 0 40 GFAB O=S(=O)(c1ccc(NCC2(c3ccccc3)CCC2)nc1)N1CCOCC1 48230830 YMYXBFQBVQWMGS-UHFFFAOYSA-N 387.505 2.636 0 40 GFAB C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)c1ccc(F)cc1 12889929 HNRYOBCNIMJFNK-ZDUSSCGKSA-N 391.420 2.794 0 40 GFAB CCNC(=O)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 12822061 XZSDOFZOBKEEOB-RKDXNWHRSA-N 377.666 2.511 0 40 GFAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 3538280 LCALNSZKGAMDIO-UHFFFAOYSA-N 396.896 2.571 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc(CNC(N)=O)cc1)O[C@@H](C)C2 12928066 ZABBWVLOZUXJHJ-ZDUSSCGKSA-N 383.448 2.507 0 40 GFAB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1 13127309 SIWIBKCIBLOQKD-CQSZACIVSA-N 393.790 2.664 0 40 GFAB CC(C)Oc1cc(NC(=O)C[S@@](=O)CC(=O)N(C)C)c(Cl)cc1Cl 4013190 OKKZYHAZNKRZLV-DEOSSOPVSA-N 395.308 2.556 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1 14250511 PUPBECKPZOZDHF-UHFFFAOYSA-N 395.746 2.757 0 40 GFAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc2c(c1)OC(F)(F)O2 4823173 BSOWWPVHWRFCJH-UHFFFAOYSA-N 375.287 2.680 0 40 GFAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(Cl)cc2)c1N 6999062 ZGKSRYWSWPQUAB-UHFFFAOYSA-N 398.854 2.967 0 40 GFAB Cn1nccc1-c1ccc2nnc(C3CCN(Cc4ccsc4)CC3)n2n1 306130825 JQIGYGGWDKSQEH-UHFFFAOYSA-N 379.493 2.966 0 40 GFAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1c(=O)[nH]c2ccccc2c1=O 8995567 QMNQIVZTTMMIDK-JTQLQIEISA-N 377.322 2.908 0 40 GFAB CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)cc1 68207861 XAKHHUGZXMOEMF-AWEZNQCLSA-N 384.398 2.836 0 40 GFAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1nnc2ccccn12 7898676 SIQVTBYZDFMQGR-UHFFFAOYSA-N 399.863 2.644 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cccnc1 96000359 LMIZMMQHWDETDJ-IBGZPJMESA-N 398.488 2.646 0 40 GFAB O=C(NCCCCCc1nnc2ccccn12)c1cc(=O)[nH]c2ccccc12 72404025 JQHDMKKRIUFATN-UHFFFAOYSA-N 375.432 2.714 0 40 GFAB O=C(NCCC1CCS(=O)(=O)CC1)c1csc(Cc2ccccc2)n1 95454056 BKHPHHSERBAYKZ-UHFFFAOYSA-N 378.519 2.679 0 40 GFAB CSc1ncc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3N3CCCC3)C2)c(C)n1 306138435 RXMSSJYEBIQPNZ-PXNSSMCTSA-N 390.553 2.757 0 40 GFAB Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)o1 306138872 SJXGZVDGOVNTDI-MSOLQXFVSA-N 376.416 2.506 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124489 VNLWNMPOXXVORL-KRWDZBQOSA-N 380.404 2.764 0 40 GFAB biogenic COc1cc2ncn(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)c2cc1OC 32100260 UHARKSUCKKLICA-AWEZNQCLSA-N 381.432 2.681 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2cccnc2)cs1 72406040 BJBDGGZPMIVYPT-UHFFFAOYSA-N 377.429 2.944 0 40 GFAB C[C@@](O)(CNS(=O)(=O)c1ccc(Br)s1)c1ccccc1 70639730 SXRCMQVQGMKALY-CYBMUJFWSA-N 376.297 2.697 0 40 GFAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H]1CCCN(c3cnn(C)c3)C1)C2 558628158 YNKVVMKWBKQNPW-QGZVFWFLSA-N 395.507 2.655 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 34684072 MDSGHLNYESINKW-QHCPKHFHSA-N 393.531 2.913 0 40 GFAB Cc1cc(N2C[C@H](C(=O)NCC(F)(F)F)CC2=O)ccc1Br 32796072 GLUNTJGKVBYIGS-SECBINFHSA-N 379.176 2.789 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)cc1 72324217 MWTVLOOCTYGUQM-CQSZACIVSA-N 392.502 2.990 0 40 GFAB O=C(Cc1cccc(C(F)(F)F)c1)NCCS(=O)(=O)Cc1ccccc1 40154333 RCXIFQNKIZQNPN-UHFFFAOYSA-N 385.407 2.979 0 40 GFAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1cccc(Cl)c1 224345611 KOAFMDHOZZMGHJ-UHFFFAOYSA-N 395.916 2.987 0 40 GFAB COc1ccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 44904914 HASVISWHCINIJQ-UHFFFAOYSA-N 382.869 2.992 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCCc2ccccc21 48375218 OEPLXWNMUMXSLK-FQEVSTJZSA-N 384.501 2.864 0 40 GFAB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220642080 OLEFSRSSSMERLN-LJQANCHMSA-N 390.505 2.865 0 40 GFAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 222882500 CTTGGSGHKNLBCV-UHFFFAOYSA-N 376.478 2.541 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc(C(=O)OC)c1 41285463 RYBUUYVLHBUBNW-LBPRGKRZSA-N 387.388 2.674 0 40 GFAB Cc1cn(C2CCCCC2)nc1NC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 529056399 SVNPLRUXQQLUCX-CVEARBPZSA-N 380.514 2.880 0 40 GFAB COc1cccc(N([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 220170979 BUSHBFRPKGCWHJ-CYBMUJFWSA-N 390.461 2.691 0 40 GFAB COc1ccc(CCS(=O)(=O)NC[C@](O)(c2cccs2)C2CC2)cc1 77099524 LOMJXCZNDCXSED-GOSISDBHSA-N 381.519 2.516 0 40 GFAB CC(C)(C)OC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 96231808 NJNCCNKBZSFHJY-INIZCTEOSA-N 387.358 2.564 0 40 GFAB CCS(=O)(=O)C(Br)(Br)C(=O)c1ccc(F)cc1 96518490 KHJFOYHQHAFYEU-UHFFFAOYSA-N 388.052 2.887 0 40 GFAB COc1ccc(C(=O)NC[C@H]2Cn3cc(-c4ccc(OC)cc4)nc3CO2)cc1 96112850 ZPCODXWAVROCSI-IBGZPJMESA-N 393.443 2.896 0 40 GFAB biogenic,in-vitro COC[C@H]1CN(Cc2cccs2)CC12CCN(C(=O)c1cocn1)CC2 247885406 RJYPPELGTYRUJK-OAHLLOKOSA-N 375.494 2.737 0 40 GFAB CC(=O)N1CCC[C@@H]2N(C(=O)CN(C)Cc3ccccc3F)CCC[C@@]21C 257259382 KYDFSPSXEQUNMU-FPOVZHCZSA-N 375.488 2.650 0 40 GFAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1onc2c1CCCC2 613295391 ZNRKTMNULSFHSV-HNNXBMFYSA-N 377.803 2.881 0 40 GFAB Cn1cc(CCC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)nn1 628479412 MLAFNQACBYUVSV-HNNXBMFYSA-N 395.326 2.903 0 40 GFAB COc1ccccc1-c1n[nH]c2c1CCN(C(=O)c1ncnc(C)c1C)CC2 585110375 MKFJUFKLBPIBET-UHFFFAOYSA-N 377.448 2.733 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 66347154 IRJKDXJIKIHMBL-OAHLLOKOSA-N 395.442 2.758 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(OC)c2)cn1 12085309 WRTFQXUTIKXDAQ-KHYOSLBOSA-N 391.493 2.532 0 40 GFAB COc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC 12188399 AAGWMJJXSISQLQ-FQEVSTJZSA-N 398.503 2.865 0 40 GFAB Cc1cc(C)nc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 12374347 AORMXFUGZYUDSZ-UHFFFAOYSA-N 388.493 2.910 0 40 GFAB Cc1ccc(Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 12436987 NPFQZOPECSQWCZ-UHFFFAOYSA-N 381.480 2.535 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1F 13849903 ROJCDURZEXMWES-UHFFFAOYSA-N 392.452 2.846 0 40 GFAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(OC)c1 19552505 WIAMGNWXPQEGPC-PCCBWWKXSA-N 382.504 2.566 0 40 GFAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)C(=O)c3ccnn3C)cc2)C1 19711944 NMNWPTISZBFVCY-CTNGQTDRSA-N 398.507 2.781 0 40 GFAB Cc1nnc(N2CCC([C@@H]3CCCCN3S(C)(=O)=O)CC2)c2ccccc12 19747118 NGBHJIURWQFBLQ-IBGZPJMESA-N 388.537 2.969 0 40 GFAB C[C@@H](NC(=O)CC1CCN(C(=O)c2ccc(=O)n(C)c2)CC1)c1ccccc1 19748588 HDTIQTNRHXORNN-MRXNPFEDSA-N 381.476 2.505 0 40 GFAB COCCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573306 ANVQBJCBUXYPAV-UHFFFAOYSA-N 389.492 2.980 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC(C)(C)C)CC1(CCN(C)CC1)O2 12142636 UTRSAJCOWJPEMY-MRXNPFEDSA-N 387.524 2.597 0 40 GFAB Cc1ncnc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1C 1888843933 BYAWGUUXDUXXPW-ZIAGYGMSSA-N 391.397 2.716 0 40 GFAB O=S(=O)(N[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CC1 1888876044 FXIIUMUHLSRIJG-SNVBAGLBSA-N 383.823 2.804 0 40 GFAB Oc1cc(N2CCN(c3ncnc4cnccc34)CC2)c(-c2ccccc2)nn1 1888929666 OVSXZTSCBRBRRU-UHFFFAOYSA-N 385.431 2.514 0 40 GFAB COc1cccc2sc(N3C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4C3)nc12 1888970075 IHVMBWLYQIQZOS-KBPBESRZSA-N 379.441 2.931 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 1848354105 CNEWTLCQKOGDIB-LJQANCHMSA-N 397.494 2.691 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1 27454558 NIIBOECNGPXEQI-MRXNPFEDSA-N 381.451 2.561 0 40 GFAB COc1ccc(CNC(=O)N2CCCN(C3CCSCC3)CC2)cc1OC 1775995142 DRGXRNRZCHMQHI-UHFFFAOYSA-N 393.553 2.817 0 40 GFAB O=C(CCN1CCCCC1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909196 CCDHQTRHJOFIGW-OAQYLSRUSA-N 378.488 2.824 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)cc1OC 85413002 OWDJHXKWXGGDTC-VQIMIIECSA-N 382.368 2.876 0 40 GFAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@](=O)C3)cc1 2725007 QYLQHGQIZREGIS-NDEPHWFRSA-N 397.456 2.904 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)cn23)n(C)c1=O 4250672 IXHFYFKRPDLINM-UHFFFAOYSA-N 385.855 2.819 0 40 GFAB COc1cccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)c1 4328057 RBZLMXPYLGVPLO-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)NCCOc4ccccc4)cc13)CCC2 4745359 QILJHZDBVNYWCE-UHFFFAOYSA-N 398.484 2.613 0 40 GFAB Cc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)c(C)c1 15884266 DYEJFJGFNKDPMQ-UHFFFAOYSA-N 376.416 2.751 0 40 GFAB CC(C)Sc1ccc2nn(CC(=O)Nc3ccc(Cl)cc3F)c(=O)n2n1 16844574 BSRONFGPSGIPAU-UHFFFAOYSA-N 395.847 2.823 0 40 GFAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 40039063 OGOUDJLUZLFJKH-UHFFFAOYSA-N 376.416 2.708 0 40 GFAB C[C@@H](c1ccccc1)N(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 30120940 HZDUIGVSEWRFCK-HNNXBMFYSA-N 389.473 2.841 0 40 GFAB Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN(CCc2ccccc2)CN3)c1C 20418017 DBWFDFIXSGPVJJ-UHFFFAOYSA-N 376.460 2.570 0 40 GFAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 7980217 NAFAQYBVQJTSSF-UHFFFAOYSA-N 390.461 2.787 0 40 GFAB Cn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Br)cc3)ccc21 60242943 HTOXKWQTGBLEAH-UHFFFAOYSA-N 390.237 2.657 0 40 GFAB Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccnc2)cc1 905235 XBKYEJFEHGZLOP-UHFFFAOYSA-N 395.488 2.589 0 40 GFAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 32299898 GXNZWXZHGRKYGL-CEOUIICOSA-N 395.425 2.530 0 40 GFAB CCOC(=O)Cn1c(Br)nc(Br)c1Br 2170078 WGSUKEDYCMTXPK-UHFFFAOYSA-N 390.857 2.734 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC1=O 32730253 LEXRYNGFDKXHDK-APWZRJJASA-N 399.466 2.606 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 4988597 HMWCUNDQPAQWAU-UHFFFAOYSA-N 376.434 2.600 0 40 GFAB O=C1c2ccccc2C(=O)N1CCSc1nnc2c(n1)[nH]c1ccccc12 6455269 UAIROZUOSILZCG-UHFFFAOYSA-N 375.413 2.894 0 40 GFAB CCCCOC(=O)c1cccc(NC(=O)CSc2nc(O)nnc2C)c1 11990604 PVZBBJBKYGJUBY-UHFFFAOYSA-N 376.438 2.573 0 40 GFAB NC(=O)c1cc(-c2csc(NC(=O)c3cncn3-c3ccccc3)n2)c[nH]1 32908506 JMTKCBVGGUECNH-UHFFFAOYSA-N 378.417 2.675 0 40 GFAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2N2CCCN12 102706593 ZSNNWEDGCLUMBI-VAMGGRTRSA-N 377.444 2.539 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)cc1 56105266 FPSGWARJKMQHNE-UHFFFAOYSA-N 381.450 2.590 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 22666451 LFKKOGHKBNXEIV-UHFFFAOYSA-N 394.349 2.823 0 40 GFAB C[C@@H]1C(=O)N(CN2CCN(Cc3cccs3)CC2)C(=O)N1c1ccccc1 23255672 HKWRRMXCDLQEKE-MRXNPFEDSA-N 384.505 2.681 0 40 GFAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 113967472 WXFNBHSTLFXWSQ-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)COCc1cccs1 24085497 OVQHDVFRTGUJIK-AWEZNQCLSA-N 375.471 2.988 0 40 GFAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)CN2CCCc3sccc3C2=O)c1 84068185 QPRPSZZGNNDBJX-UHFFFAOYSA-N 396.472 2.563 0 40 GFAB CCN(CC)C(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22231232 PXURULKVTZGHNM-UHFFFAOYSA-N 390.505 2.900 0 40 GFAB Cc1cnc2c(S(=O)(=O)Nc3cc(S(C)(=O)=O)ccc3F)cccc2c1 26542301 ZKOKHJHROKMREK-UHFFFAOYSA-N 394.449 2.887 0 40 GFAB O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)N1CCC[C@@H](CO)C1 108525635 ORGSRXBAPPXPEL-MRXNPFEDSA-N 388.489 2.897 0 40 GFAB CN(C)CCCN(Cc1ccccc1)C(=O)c1nn(C)c(=O)c2ccccc12 8133376 HBCLLIFAVZIHQM-UHFFFAOYSA-N 378.476 2.528 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN(C)C)cc1 10111432 LMXVWOBVVYMQSN-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(Br)cc2)c1 24452235 QYPJHTUCBYROMP-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB CC(C)[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCCO2 27602601 OMXCCQPMCNMUCV-PXNSSMCTSA-N 396.491 2.978 0 40 GFAB CCOCc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1 2191239 ZWGBVXLJQNITNN-UHFFFAOYSA-N 378.273 2.638 0 40 GFAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccccc3)N=C2O)cc1 36594991 WMUHHWGOGCEFEF-GOSISDBHSA-N 381.432 2.781 0 40 GFAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 12766394 MVAGVVLGECFIOJ-CQSZACIVSA-N 381.407 2.710 0 40 GFAB Cc1ccc2nc(SCCN3C(=O)c4ccccc4C3=O)n(C)c(=O)c2c1 48324409 LVDHLIUTWBCEBL-UHFFFAOYSA-N 379.441 2.630 0 40 GFAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N1CCCC1 3548413 CQSAWRBRUBGEOL-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1F 12931306 OYUGCCMRGKWJLZ-UHFFFAOYSA-N 376.453 2.813 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1 12924856 XRGUPHTVBZCORQ-GDBMZVCRSA-N 393.443 2.702 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cc(OC)ccc1OC 8232764 ZLQLBIVSGAWTGF-OAHLLOKOSA-N 393.461 2.554 0 40 GFAB COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1 8673163 DSRLDEFEGSGTBX-UHFFFAOYSA-N 388.445 2.512 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(F)cc2)c1=O 64604824 KEZNAWNHUHRFEK-UHFFFAOYSA-N 380.379 2.647 0 40 GFAB C[C@@H]1CCc2c(sc3nnn(CC(=O)N[C@H](C)c4ccccc4)c(=O)c23)C1 5009845 RMEKNIYTVIZPIF-CHWSQXEVSA-N 382.489 2.855 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 5062290 ZGGKSFUHEMTYJC-UHFFFAOYSA-N 387.288 2.542 0 40 GFAB COc1cccc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 64977512 GKMZHYMUXQQDEJ-UHFFFAOYSA-N 375.384 2.949 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCn2c(=O)oc3cc(Cl)ccc32)cc1 14095579 CWJNNZKYBXBVMI-UHFFFAOYSA-N 396.852 2.577 0 40 GFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 14227988 UKFOUMQDTCRQNA-OAHLLOKOSA-N 390.439 2.932 0 40 GFAB COc1ccc(NC(=O)COc2ccc(Br)cc2CO)cc1OC 5468350 XCJIIXUBGBCIKH-UHFFFAOYSA-N 396.237 2.976 0 40 GFAB COc1ccc(CCN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 14309713 HGGZUGDOSJLPGW-INIZCTEOSA-N 386.423 2.970 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 6678018 YXRGQMSYEMKUTN-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB Cn1c(Cc2cccs2)nnc1SCC(=O)c1ccc2[nH]c(=O)oc2c1 6607905 MSQGWWBALHVYAG-UHFFFAOYSA-N 386.458 2.877 0 40 GFAB CC(=O)c1ccccc1OCCSc1nnc2n(C)c(=O)c3ccccc3n12 8710382 CDRVQZRXNUKKFY-UHFFFAOYSA-N 394.456 2.955 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 15091701 WGNOOZWEHLEFTH-UHFFFAOYSA-N 389.502 2.535 0 40 GFAB C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 15193091 QMNYTDZXULYTNM-SNVBAGLBSA-N 377.231 2.976 0 40 GFAB Cc1ccc(-c2c(C)sc3nc(CN4CCC(C(N)=O)CC4)[nH]c(=O)c23)cc1 7003553 UVWLSOFWFZVDBF-UHFFFAOYSA-N 396.516 2.966 0 40 GFAB COc1cc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc(OC)c1 25869184 DTAZVXHMLANWPF-LBPRGKRZSA-N 390.461 2.667 0 40 GFAB CCCc1ccc(S(=O)(=O)N2CC(F)(F)C[C@]3(CCCNC3=O)C2)cc1 306127840 GIVCOJBHBANCNM-QGZVFWFLSA-N 386.464 2.565 0 40 GFAB Cc1ccc(C)c(NCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 9220502 IIHREHXGUKLQNG-UHFFFAOYSA-N 375.494 2.913 0 40 GFAB O=C(C[C@@H]1Sc2cc(C(=O)O)ccc2NC1=O)Nc1ccc2c(c1)OCO2 61720619 LLKMYTVPJSPIQP-HNNXBMFYSA-N 386.385 2.555 0 40 GFAB COc1ccc(-n2nc(C)c3c(-c4ccccc4)c4c(=O)[nH]c(=O)[nH]c4nc32)cc1 72332770 UXHGQQKOCGBWJN-UHFFFAOYSA-N 399.410 2.934 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccncc4)C[C@H]32)cc1 306135767 PADGUJWXOZCWEE-FCHUYYIVSA-N 388.471 2.973 0 40 GFAB O=c1ccnc2sc(N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)nn12 95993065 XKBOKNOOROAXAU-ZDUSSCGKSA-N 385.497 2.701 0 40 GFAB O=C(Nc1ccc(Cc2nnn[nH]2)cc1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 95993259 DSEWFAISHHUSOX-KRWDZBQOSA-N 399.458 2.855 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2cc(Br)c(C=O)n2C)C1 78822266 RKXZVTBRIMPSPC-JHJVBQTASA-N 384.318 2.696 0 40 GFAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2c[nH]c(C)c(Cl)c2=O)cc1OC 89505496 MCYLBTGQXUPVAT-JTQLQIEISA-N 394.811 2.538 0 40 GFAB O=C(Cn1ncc2ccccc21)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 78911622 HEOQZHYUUFLPAO-UHFFFAOYSA-N 398.470 2.842 0 40 GFAB COC[C@](C)(CCO)NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 79025842 MOEZMGAEBCFYAW-IBGZPJMESA-N 380.872 2.593 0 40 GFAB CCOCCOCc1cccc(CNC(=O)CCc2nc([C@@H](C)OC)no2)c1 79018154 YKXFHYPYLWSRPZ-OAHLLOKOSA-N 391.468 2.579 0 40 GFAB Cn1ccc(C(=O)N2CCC3(CCc4ncc(-c5ccncc5)n4C3)CC2)n1 306125701 CYXCYNIVZJGNDX-UHFFFAOYSA-N 376.464 2.547 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1Cl 408528898 HLUGFBMTQUTDCK-UHFFFAOYSA-N 376.906 2.714 0 40 GFAB CCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)C4CC4)ccc3n2C)c1OC 36369972 RBSJZHWBLIPFPD-UHFFFAOYSA-N 395.463 2.686 0 40 GFAB biogenic O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCCC1 30869074 BHVRHIGHARCYCF-IBGZPJMESA-N 378.538 2.674 0 40 GFAB CCN(CC)CCN(CC(C)C)C(=O)NCCc1nnc2n1CCCCC2 45384267 UMDBUYUFGKRWMZ-UHFFFAOYSA-N 378.565 2.556 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC(C)CC2)nc1N 49007285 YXOMNIUWUFKLTE-UHFFFAOYSA-N 396.900 2.790 0 40 GFAB Cc1noc(C2(NC(=O)Nc3ccc(-c4csnn4)cc3)CCOCC2)n1 528941257 FTWOTYAMGPKAPB-UHFFFAOYSA-N 386.437 2.724 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)NC1CCCCC1 40625590 NOBUFIKGXOOPLE-UHFFFAOYSA-N 381.498 2.934 0 40 GFAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCc1cccc2ccccc12 225875883 FAGYBIAPYLWPSZ-UHFFFAOYSA-N 375.475 2.906 0 40 GFAB Cc1ccc(C)c(CN2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)c1 574091537 IFKAWKSSYYVREY-UHFFFAOYSA-N 394.518 2.570 0 40 GFAB COc1cccc([C@H](CNC(=O)N2CCCc3c(cnn3C)C2)N2CCCC2)c1 574172192 LQBHAQDMOHZPHH-NRFANRHFSA-N 397.523 2.724 0 40 GFAB COc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 224412618 WEEFFGGFTXVGGE-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCCC2)cc1 224639174 YJJFVDGUWILHOE-SILNSSARSA-N 381.476 2.961 0 40 GFAB NS(=O)(=O)c1ccc(CNc2nn3cc(-c4ccccc4)nc3s2)cc1 40058802 HNVADFXRFSKDRG-UHFFFAOYSA-N 385.474 2.717 0 40 GFAB Cc1oc2ccccc2c1CCNC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 572933779 CTIGOGMEBWUGFO-HXUWFJFHSA-N 390.505 2.894 0 40 GFAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@H](C(C)=O)O4 230121201 WRYWOZVGRJAOJE-XPGWFJOJSA-N 396.395 2.716 0 40 GFAB NC[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242575097 NSDWPWFPWWQESM-BBWFWOEESA-N 386.300 2.871 0 40 GFAB CO[C@@]1(C)C[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 665181860 YHVHWHKDYNNDDV-MJGOQNOKSA-N 389.477 2.811 0 40 GFAB CC(C)c1ccc(-c2csc(N3C(=O)N[C@H]4CS(=O)(=O)C[C@H]43)n2)cc1 575424456 AKSKHJYFZRRVMG-LSDHHAIUSA-N 377.491 2.629 0 40 GFAB COc1ccccc1[C@H](NC(=O)CN1CCc2sccc2C1)c1nccn1C 58790807 IODAFQPEXZAUSZ-FQEVSTJZSA-N 396.516 2.754 0 40 GFAB O=C1COc2cc(S(=O)(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)c(Cl)cc2N1 67434313 ICIQRUZCMFFCJT-YPMHNXCESA-N 396.827 2.644 0 40 GFAB CS[C@H](CO)[C@H](C)NC(=O)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95982697 RNTPJTMFVAQAFE-RRFJBIMHSA-N 388.574 2.888 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)n(C)n1 1615154627 GDNFMPCDXGABFC-QFIPXVFZSA-N 396.491 2.582 0 40 GFAB O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 15672307 UXQRMUSIGCWQCN-JKSUJKDBSA-N 393.491 2.767 0 40 GFAB biogenic,in-vitro O=C(COc1ccccc1)NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 15699845 HPISYLDASSSCGD-UHFFFAOYSA-N 382.416 2.862 0 40 GFAB CCOc1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OCC 18023713 NVMFYASBVKHUEU-UHFFFAOYSA-N 389.452 2.630 0 40 GFAB C[C@H](Cc1ccc2c(c1)OCO2)CN(CCN1CCOCC1)Cc1cccnc1 19456823 SYDAEWCUVSDSSI-LJQANCHMSA-N 397.519 2.823 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)[C@@H](C)N3C(=O)[C@@H](C)Oc4ccccc43)cc2NC1=O 19462082 QQRXAMPKSVNRPE-FRRDWIJNSA-N 395.415 2.547 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19693587 QMAWTWYMFLAGMI-FQEVSTJZSA-N 394.406 2.657 0 40 GFAB Cc1nn(C)cc1-c1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 19718075 ILQMLCQYTFWBLL-HNNXBMFYSA-N 395.488 2.839 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@H](c1ccsc1)N1CCC1 225594799 VWLQQZWSYZJLQV-MRXNPFEDSA-N 382.555 2.868 0 40 GFAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)Nc1cccc(F)c1 11695868 RBUROEWCISXJNU-UHFFFAOYSA-N 385.439 2.782 0 40 GFAB C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)N1CCCC1 12219656 ZKAYKQSUUUDIAH-HNNXBMFYSA-N 380.492 2.524 0 40 GFAB O=C(NC[C@@H]1CCCO1)C1CCN(CN2C(=O)c3cccc4cccc2c34)CC1 26659859 IJUQJHCTFXNSPB-SFHVURJKSA-N 393.487 2.765 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)C[S@](=O)C3)cc1 4105673 NPQKRQXXWKJMDN-MUUNZHRXSA-N 399.447 2.964 0 40 GFAB CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4274383 PYMFTBRYJROBEW-LLVKDONJSA-N 378.458 2.982 0 40 GFAB Cc1cc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)no1 4376660 WTJJSJARJBZUJL-UHFFFAOYSA-N 384.396 2.958 0 40 GFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccccc1F 8940433 RBVRMDGAVORAAT-UHFFFAOYSA-N 388.472 2.939 0 40 GFAB COc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 9039190 ZNGSNRMUJPIRDY-CQSZACIVSA-N 399.447 2.887 0 40 GFAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 10233714 RCLHVBVUYZWABS-GFCCVEGCSA-N 397.454 2.925 0 40 GFAB COc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CCCC2)c(OC)c1OC 11845643 IEBAQFMGIZPIIW-KRWDZBQOSA-N 387.480 2.618 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49482773 OTRIRIPGELFOBJ-UHFFFAOYSA-N 399.476 2.612 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NCc1nccnc1-c1ccsc1 575620154 RCEADOJZRHESPT-UHFFFAOYSA-N 395.487 2.532 0 40 GFAB CCc1noc([C@H](C)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1 32759980 IIWYAMLLINGIRA-ZDUSSCGKSA-N 377.876 2.603 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 40160400 MYLLWPHIRWTZQU-GOSISDBHSA-N 392.450 2.739 0 40 GFAB O=C(CCNC(=O)OCC(F)(F)F)Nc1cc(-c2c(F)cccc2F)[nH]n1 69434988 KSKRWZDBEXQTKS-UHFFFAOYSA-N 392.284 2.972 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccccc4C)[C@H]3C2=O)cc1OC 101418184 NFPGZLIEMWNEFW-QZTJIDSGSA-N 380.404 2.506 0 40 GFAB O=C(Nc1ccccc1N1CCCCC1)C1=NN(c2ccccc2)C(=O)CN1 32658200 XVARVLLKHNBDJB-UHFFFAOYSA-N 377.448 2.565 0 40 GFAB O=C1C[C@H](C(=O)N2CCn3c2nc2ccccc23)CN1c1ccc2c(c1)CCC2 32796066 RYFPFVOBDMFZKI-KRWDZBQOSA-N 386.455 2.925 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(C)n2)cc1 32841598 CZXXSOMRQPHFFP-UHFFFAOYSA-N 389.477 2.632 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(=O)Nc2ccccc2)CC1 32845843 NRYCBRYINZKBHD-UHFFFAOYSA-N 381.432 2.724 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)cc1 6235045 WOPGUTUXTFIZRD-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 6996635 HDYTYUNICXZABF-UHFFFAOYSA-N 388.902 2.607 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1Cl 10541682 CVPWGLYNQSPWKQ-QWHCGFSZSA-N 388.917 2.762 0 40 GFAB O=C(COc1ccccc1Cl)OCc1cc(=O)n2nc(C3CC3)sc2n1 8605438 DFEAREWSMLYLMX-UHFFFAOYSA-N 391.836 2.804 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)s1 22689583 PRUCWTFKQRVGHZ-OAHLLOKOSA-N 396.509 2.913 0 40 GFAB CC(C)CCCn1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 20758888 XVTCCQYEJADZJM-IBGZPJMESA-N 396.491 2.737 0 40 GFAB biogenic C[C@]1(C2CC2)NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 23653390 YCVSIJXDRQNEQQ-GOSISDBHSA-N 396.413 2.505 0 40 GFAB C[C@@H]1CCCN(c2ccccc2CNS(=O)(=O)c2cnn(C(F)F)c2)C1 54993649 CCSQCVHHOMRDPE-CYBMUJFWSA-N 384.452 2.993 0 40 GFAB COc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cn1 12526506 KWZMFEWBMPQXSE-UHFFFAOYSA-N 384.461 2.769 0 40 GFAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 57406474 PLMCSRJTYLKZBW-KRWDZBQOSA-N 377.488 2.989 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)N3CCc4ccccc43)CC2=O)c1C 3219637 UNFLDOUQCPKAEW-SFHVURJKSA-N 392.455 2.789 0 40 GFAB CCN(CC)C(=O)CCCN1C(=O)[C@@H](n2cnnn2)[C@H]1c1ccc(C(C)C)cc1 58154985 NKOFFZUYMFRAPE-UXHICEINSA-N 398.511 2.570 0 40 GFAB COc1cc(OC)c(NC(=O)COC(=O)COc2ccccc2)cc1Cl 10255078 CPBZPLYDXFTALD-UHFFFAOYSA-N 379.796 2.918 0 40 GFAB CC(C)CCC(=O)N1CCN(S(=O)(=O)c2cccc3ncccc23)CC1 58201350 SDIQLEBMQUGVQZ-UHFFFAOYSA-N 375.494 2.504 0 40 GFAB COc1cc(NC(=O)CN2CCC[C@@H]2c2cc(C)on2)cc(OC)c1OC 27882250 JDKNEUWZSCWCFQ-OAHLLOKOSA-N 375.425 2.784 0 40 GFAB Cc1cc(=O)c(C(=O)NO[C@@H]2CCCCO2)nn1-c1cccc(C(F)(F)F)c1 58415959 VWOMQTMYDONRBA-OAHLLOKOSA-N 397.353 2.748 0 40 GFAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCS(=O)(=O)C2 58481355 RBXJOKDEOPAAHH-UHFFFAOYSA-N 379.459 2.648 0 40 GFAB O=S(=O)(NCc1ccccc1)c1ccc(Br)c2nsnc12 2346476 ILHJTZZCDHBXQH-UHFFFAOYSA-N 384.280 2.932 0 40 GFAB O=C(c1coc(=O)c(Br)c1)N1CCN(c2ccc(F)cc2)CC1 2304066 QXOAKGANAGYUKZ-UHFFFAOYSA-N 381.201 2.504 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 10904111 VYZLGMCFKNKDOX-IBGZPJMESA-N 394.519 2.956 0 40 GFAB Cc1ccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(F)c1 11248468 LFAOXEVRQRGNKD-INIZCTEOSA-N 376.453 2.766 0 40 GFAB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)c1ccc2c(c1)CCC2 11369026 IOULIKRYJGLQRX-UHFFFAOYSA-N 384.505 2.913 0 40 GFAB O=C1O[C@@H](C(=O)NCc2ccc(N3CCCCCC3)nc2)Cc2ccccc21 48249376 BWLRAKCSPVZFFK-LJQANCHMSA-N 379.460 2.860 0 40 GFAB C[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C[C@@H](C)O1 3477232 ZPHPOKGNVBUUHY-HZPDHXFCSA-N 377.444 2.694 0 40 GFAB O=C1CN(C(=O)COc2ccc(F)cc2Br)c2ccccc2N1 3533670 GRMUDBYZMMREEY-UHFFFAOYSA-N 379.185 2.952 0 40 GFAB Cc1nc2ccc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)cc2nc1C 12986050 GBCWEILZGCPIRB-UHFFFAOYSA-N 392.434 2.984 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2C)cc1 113871706 DLROOEWDQMBCOY-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)c(=O)c2c1C 5011011 AKJOKDHWOVOSFM-JTQLQIEISA-N 383.429 2.677 0 40 GFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1 4246968 VXXPZMNWDRZDLS-HNNXBMFYSA-N 384.432 2.721 0 40 GFAB NC(=O)c1cc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CS4)n2)c[nH]1 39554905 QAZGVVARUVRYPX-UHFFFAOYSA-N 399.457 2.534 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2Cl)sc2c1CCC2 6224549 DPGORAONILXMJJ-UHFFFAOYSA-N 396.827 2.924 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 5209121 NNRRBNRQACDORX-LLVKDONJSA-N 375.498 2.716 0 40 GFAB Cc1cc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)c2cc1Cl 5352003 MIQOABUFQVIRQC-UHFFFAOYSA-N 392.820 2.655 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 22226993 VIAKBOWONYQZJW-UHFFFAOYSA-N 376.453 2.583 0 40 GFAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CC)nnc12 5437038 GHXFDEDBKKOLGU-ZDUSSCGKSA-N 387.509 2.851 0 40 GFAB CCOc1ccc(CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC 6510129 SANCNAPGWINAKI-UHFFFAOYSA-N 396.443 2.739 0 40 GFAB COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2c1 18240750 HNUPGNKAUVIITP-FQEVSTJZSA-N 377.444 2.949 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2cn3ccsc3n2)cc1 4864588 CIGSOFPFEYYQCG-UHFFFAOYSA-N 392.506 2.608 0 40 GFAB O=Cc1cc(Br)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 5871767 AFLQMPJJJJJBIO-UHFFFAOYSA-N 392.205 2.686 0 40 GFAB O=C(COc1ncnc2c1cnn2-c1ccccc1)NCCCc1ccccc1 6946592 ZZYYVABSLHKMBJ-UHFFFAOYSA-N 387.443 2.943 0 40 GFAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 5982864 BVIANXWUWHVLIX-ZDUSSCGKSA-N 393.472 2.904 0 40 GFAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(C(=O)C4CC4)CC3)c2C)cc1 9048340 RTYQDHZFBYOVTI-UHFFFAOYSA-N 380.492 2.551 0 40 GFAB COCc1nc([C@H]2COCCN2C(=O)c2cc3ccc(C)cc3nc2C)no1 96001001 AQLOUWYEJZJGKU-QGZVFWFLSA-N 382.420 2.595 0 40 GFAB COc1ccc(CCN2C[C@H](C(=O)NC3CCCCCC3)CC2=O)cc1OC 9690609 SLWRMXRSHRBLJB-QGZVFWFLSA-N 388.508 2.934 0 40 GFAB Cc1coc(-c2cccc(NC(=O)C(=O)N(C)CC[C@H]3CCCCN3C)c2)n1 84265443 RMLQWTVADKREJP-GOSISDBHSA-N 384.480 2.921 0 40 GFAB Cc1ccc(C(=O)NC2CCN(C(=O)NCCc3sc(C)nc3C)CC2)o1 95953684 BZUTUKCMBDOFKM-UHFFFAOYSA-N 390.509 2.808 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 306123935 BAYCPEKGZUAETR-FPOVZHCZSA-N 377.469 2.899 0 40 GFAB Cc1nonc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12 35314519 FMHIMBPWKMFXJT-UHFFFAOYSA-N 375.801 2.582 0 40 GFAB COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3OC)n2)c1 219505567 BVLYYLCDGQVTHO-ZDUSSCGKSA-N 383.404 2.838 0 40 GFAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(N)=O)C(=O)O 35027726 RKLOXTAEGHPJPW-SFHVURJKSA-N 382.416 2.586 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C(C)(C)C)no1 32971640 PPXSUKDJASRFKX-OAHLLOKOSA-N 391.493 2.687 0 40 GFAB CCCn1c(C)ccc(-c2noc(CCC(=O)NCCc3ccccc3)n2)c1=O 35476699 QLSPXJVKRRVWGE-UHFFFAOYSA-N 394.475 2.908 0 40 GFAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218112242 VMLXYKQNDWKYQR-BJLQDIEVSA-N 390.457 2.661 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccnc(-c3ccco3)c2)cc1 238873735 NNGNMBXTMDEOKU-UHFFFAOYSA-N 385.445 2.522 0 40 GFAB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(F)cc1 223969142 ORUFKVNWPRCKOI-SECBINFHSA-N 386.474 2.701 0 40 GFAB O=C(NCCn1c(CO)nc2ccccc21)[C@H](Cc1ccccc1)n1cccc1 575443214 FFKOTZZACMJSKS-NRFANRHFSA-N 388.471 2.930 0 40 GFAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 224844431 LNXKYJZJPFDJQI-UHFFFAOYSA-N 391.445 2.768 0 40 GFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 224357674 PJQNJQFNLZERLL-UHFFFAOYSA-N 394.518 2.732 0 40 GFAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 223979225 LOVIDPAFVCNUFX-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c(OC)c1 220295745 SHIDXQVEWZRZLA-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccc2c(c1)OCO2 224144533 QKWADIMRKVFDPL-UHFFFAOYSA-N 384.440 2.906 0 40 GFAB COc1ccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220100925 COPKEXFGSCIRFE-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc23)cc1 225696779 YLTCCNRMQCZBMR-MRXNPFEDSA-N 391.470 2.700 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2snnc2-c2cccc(OC)c2)CC1 225767202 ZEXGUISWZURUHP-UHFFFAOYSA-N 375.450 2.629 0 40 GFAB Cc1cccc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1C 223959736 LGXQYUORGDZVEK-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB COCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224420121 RMNBQUVSUQDAQQ-UHFFFAOYSA-N 390.505 2.582 0 40 GFAB COc1ccccc1CNC(=O)c1nn(C)c(NC(=O)c2ccccc2)c1F 41070579 XRMVZDCPNLUITR-UHFFFAOYSA-N 382.395 2.750 0 40 GFAB COC(=O)c1nc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)sc1C(C)C 95476261 ATKVJHSNSQEHCL-UHFFFAOYSA-N 392.462 2.912 0 40 GFAB O=S(=O)(c1ccccc1)n1c(I)cc2ccncc21 95920037 TUEJNKAENPJXEL-UHFFFAOYSA-N 384.198 2.878 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCC1CCN(c2ncc(F)cn2)CC1 240067762 SARVDHQWAYXJBY-UHFFFAOYSA-N 378.835 2.681 0 40 GFAB C[C@@H](C1CCCCC1)N(C)S(=O)(=O)c1ccccc1C(=O)N1CCOCC1 585080027 XGBKZHOVQIDUEM-INIZCTEOSA-N 394.537 2.748 0 40 GFAB CO[C@@H]1CCC[C@@H](N(C)Cc2cc(C(C)(C)C)ccc2OCC(=O)O)[C@H]1O 257256713 KMNQGMALXKPLBL-YVWKXTFCSA-N 379.497 2.808 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@H]2C)n1 260737364 JNFVVLAQUOYYRP-OAHLLOKOSA-N 392.573 2.779 0 40 GFAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc(C(F)(F)F)cnc1O 635417204 AYJYGAGYADMIEA-HNNXBMFYSA-N 393.365 2.900 0 40 GFAB O=C(O)C[C@H](Cc1cc(F)c(F)cc1F)NC(=O)c1ccc2c(c1)CCOC2 659160599 LLYJHHHVKSMFRR-HNNXBMFYSA-N 393.361 2.992 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H](C(=O)O)C1CCCC1 663079578 QRHIZDRNURPNLS-INIZCTEOSA-N 382.844 2.684 0 40 GFAB CCCc1c(NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cnn1-c1ccccc1 666638993 SSLPJDVNUMXROR-LSDHHAIUSA-N 390.509 2.912 0 40 GFAB FC(F)(F)COc1ccc(N2CCN(c3ncnc4ccsc34)CC2)nn1 663658788 XOICFINWTQOYKS-UHFFFAOYSA-N 396.398 2.749 0 40 GFAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2CC1(O)CCN(c2ccc(F)cc2)CC1 585282309 DFGLTBIITFEDGS-NHCUHLMSSA-N 389.515 2.632 0 40 GFAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCC2CCC2)CCO1 585283972 GINDGUXURONXSA-FQEVSTJZSA-N 394.899 2.772 0 40 GFAB Cc1c(-c2ncco2)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12 1776010908 YQKKPOHWXWJHFG-UHFFFAOYSA-N 391.449 2.792 0 40 GFAB Cc1nn(CC(=O)N(Cc2cccnc2)C2CC2)c(=O)c2cc3sccc3n12 12088519 INFCWRUISPJXLH-UHFFFAOYSA-N 393.472 2.605 0 40 GFAB COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)O 12710761 UFDLNKUIUANICW-UHFFFAOYSA-N 378.406 2.821 0 40 GFAB O=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1cccc2nsnc12 15867184 ULNUBPOEQQPKLP-UHFFFAOYSA-N 386.824 2.943 0 40 GFAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19079472 DQXAMRSTBXIHEN-OAHLLOKOSA-N 398.482 2.777 0 40 GFAB COc1cc(CN2CCc3c(O)nc(-c4cnc(C)cn4)nc3C2)cc(OC)c1 19239047 FIGLHUDUCSNUHI-UHFFFAOYSA-N 393.447 2.523 0 40 GFAB COc1cc(CN2CCN(C(=O)C3[C@H]4CCCC[C@@H]34)CC2)cc(OC)c1OC 19549809 JIAYDAIMXLLOBF-XEWABKELSA-N 388.508 2.793 0 40 GFAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)cc(N)c2=O)cc1Cl 19559403 YCWHNXRMALSACS-UHFFFAOYSA-N 390.852 2.855 0 40 GFAB CCc1ccccc1N1C(=O)N(c2ccc(OC)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 4387461 APAAZXCOACJHRQ-RTBURBONSA-N 386.473 2.870 0 40 GFAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3ccc(F)cc3)cnc21 4479022 SQTPIKYTVOUTPI-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB COc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(OC)c1 5438477 WZKGJIFKKYBEBI-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)cc1 7388022 HQBZPRVVNQIJQA-UHFFFAOYSA-N 391.478 2.576 0 40 GFAB O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccccc1Cl 7388136 OYZLWPCCMFZWCL-UHFFFAOYSA-N 382.898 2.949 0 40 GFAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3ccccc3)c2n1 8942789 GUDHWBPLSXFUAI-UHFFFAOYSA-N 398.536 2.975 0 40 GFAB O=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1ccccn1 9001153 RHBLDMFMASBIFO-UHFFFAOYSA-N 396.809 2.842 0 40 GFAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1 12440684 RBHFHAAWMYVYSU-UHFFFAOYSA-N 383.853 2.957 0 40 GFAB Cc1cc(OC2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc(=O)n1C 217778173 BKYCHWQTQVPOEV-JLHYYAGUSA-N 388.489 2.538 0 40 GFAB COc1cccc(-c2cc(C(=O)N3CC[C@H](Oc4ncc(Cl)cn4)C3)n[nH]2)c1 575612207 JHQUGRJINQEYFZ-HNNXBMFYSA-N 399.838 2.822 0 40 GFAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccc2nsnc2c1 575612005 JTEWRJJKNNGXHM-FQEVSTJZSA-N 383.473 2.736 0 40 GFAB COc1ccc(Br)c(C(=O)NCc2nc(C3CCOCC3)no2)c1 575606940 NAAYAPIXFZAJFJ-UHFFFAOYSA-N 396.241 2.665 0 40 GFAB Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@H](O)COc1ccccc1 28085235 XOPSTEXCRHHDKC-SFHVURJKSA-N 375.428 2.911 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@@H]3C2=O)cc1 100033413 RRACYGINEVLGTQ-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB COC(=O)C[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(C)cc1 31072347 QXDBOPCBGBCQFC-CQSZACIVSA-N 391.474 2.582 0 40 GFAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 20762508 OWNYVZJZJKNJKW-SFHVURJKSA-N 377.404 2.771 0 40 GFAB biogenic CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 1941478 QUPATPXCPJPFKX-UHFFFAOYSA-N 394.427 2.589 0 40 GFAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1 2494327 FWVNESRONZZDRS-OXQOHEQNSA-N 391.537 2.583 0 40 GFAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c2c(c1)OCCO2 32893783 XVVYYFWKYOGIHW-UHFFFAOYSA-N 390.823 2.739 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccc(OC)c(F)c2)n(C)c1 32842819 QEHPRYQDMBAHOH-UHFFFAOYSA-N 398.456 2.560 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(-n2cccn2)nc1 32802621 PKZVEYCRDGCQDX-UHFFFAOYSA-N 392.463 2.664 0 40 GFAB Cc1cc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc(=O)c2cc1Cl 11914605 JTQFHRBJDUTWBC-UHFFFAOYSA-N 381.779 2.983 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nnc2ccccn12 52769479 HUKSUQBNQDJJFV-CVEARBPZSA-N 392.463 2.851 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccccc1C(N)=O 12296889 BULZNBPGPHPQOW-UHFFFAOYSA-N 380.400 2.780 0 40 GFAB biogenic CCOc1ccc(C(=O)NCC(=O)NCCOc2ccc(Cl)cc2)cc1 22655542 RBSKPGUZMAPKCE-UHFFFAOYSA-N 376.840 2.664 0 40 GFAB O=C(NCCc1nnc2n1CCCCC2)c1cc2c(nc3sccn32)s1 54451262 KGSPPKZLPMROEB-UHFFFAOYSA-N 386.506 2.901 0 40 GFAB 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)OC3)CC[C@@]12O 118913795 FLMSQRUGSHIKCT-QUPWETFGSA-N 390.520 2.575 0 40 GFAB in-vitro CCCCn1c(N)c(N(CC)C(=O)c2cc(CC)c(C)s2)c(=O)[nH]c1=O 24019692 LXHPJZCLVIMKMN-UHFFFAOYSA-N 378.498 2.518 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24300354 HLXGDNCDJQNPNA-ZZXKWVIFSA-N 392.455 2.708 0 40 GFAB O=C(CCNC(=O)NCc1ccccc1)NCc1coc(-c2cccs2)n1 22186578 CQIHBDZVGRDQGV-UHFFFAOYSA-N 384.461 2.909 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(Cl)c1 1401274 GDWCRXRSWUWKPV-UHFFFAOYSA-N 394.880 2.832 0 40 GFAB CN1CC[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1=O 106829477 RJHRZVFMOWXFDU-INIZCTEOSA-N 377.916 2.537 0 40 GFAB CCc1ccc(-c2nnn(Cc3cc(=O)n4c5c(sc4n3)CCCC5)n2)cc1 25214176 MZAUXZXSTSLJEK-UHFFFAOYSA-N 392.488 2.899 0 40 GFAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc21 57486475 FKMVGPGRNDTMCB-UHFFFAOYSA-N 399.882 2.993 0 40 GFAB CCN1CCN(c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2C)CC1 12528291 DECOEHHBNIAUGI-NRFANRHFSA-N 381.476 2.915 0 40 GFAB O=C(N[C@H]1CCN(C2CC2)C1)c1cnn(-c2ccc(Br)cc2)c1 58172292 AZROHLKGZWVLKS-AWEZNQCLSA-N 375.270 2.601 0 40 GFAB O=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1CC(=O)N(c2ccccc2)C1 58183361 IBEDFVFTYUKXFO-KRWDZBQOSA-N 375.432 2.512 0 40 GFAB O=C(O)[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 2139933 HQURCQXSIORDKI-QZTJIDSGSA-N 382.416 2.730 0 40 GFAB biogenic COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 20062780 NTDFTCZSNFMIDB-UHFFFAOYSA-N 394.518 2.610 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 3278588 ABGCTBQAKUGTIN-UHFFFAOYSA-N 392.358 2.508 0 40 GFAB Cn1c(SCC2=N[C@@H]3C=CC=C[C@@H]3C(=O)N2)nnc1-c1cc2ccccc2o1 25142822 PJGBMOBJSPRFTI-UONOGXRCSA-N 391.456 2.960 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1F 20957053 YQCZUYKWPPUDDV-AWEZNQCLSA-N 392.452 2.844 0 40 GFAB C[C@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1nnc2ccccn12 45234234 UMYGWKXRTJZILR-HNNXBMFYSA-N 375.436 2.535 0 40 GFAB Cc1nc(-c2ccccn2)sc1C(=O)O[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 28364401 RWTGVJGSQURKGD-SCRDCRAPSA-N 389.477 2.695 0 40 GFAB O=C(Nc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1)c1ccco1 11144994 GGPTVIZJXKNWJR-UHFFFAOYSA-N 388.383 2.698 0 40 GFAB COc1ccc2cc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)c(C)nc2c1 48363477 OYPDCQCLLLUFTE-MRXNPFEDSA-N 377.448 2.741 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1cc(=O)n2ccsc2n1 3523074 FPNAGRBRLAVJPP-UHFFFAOYSA-N 394.456 2.975 0 40 GFAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 13000331 LNSDGQCSZDFEDE-AWEZNQCLSA-N 390.505 2.715 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc(Cl)c1 20902103 QPTBSOXZCYEZNZ-UHFFFAOYSA-N 386.886 2.618 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NCC(=O)NCC(C)C 9219912 KCUKICBALIAWNP-UHFFFAOYSA-N 379.501 2.505 0 40 GFAB COc1cc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc(OC)c1 4046845 TVNJFFDTDFVUJX-FXAWDEMLSA-N 396.399 2.503 0 40 GFAB biogenic Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 4412570 TZHZUCUJVSBWEW-DYESRHJHSA-N 390.549 2.842 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20041604 TZINQFIGSNUXIN-AWEZNQCLSA-N 394.468 2.868 0 40 GFAB CC[C@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 9253175 BARQYKCWDRKADO-YOEHRIQHSA-N 385.489 2.690 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCCC(=O)Nc2cccnc2)CC1 4704278 ZJMGKDOVKFNWFP-UHFFFAOYSA-N 382.464 2.548 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)cc1 4743163 VFGKOVJJXQEMKW-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB biogenic CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1F 8882283 VQTKNKAHJWDLMM-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2cccc(-n3cccc3)c2)cc1OC 6830646 DBPIZHRQHAZFDR-UHFFFAOYSA-N 394.427 2.968 0 40 GFAB CCOC(=O)c1c(NC(=O)CNc2cccc(F)c2)sc(C(=O)NC)c1C 9315857 WIIMMYYFRQORDI-UHFFFAOYSA-N 393.440 2.783 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(F)c(F)c1 8041003 DUNWSZGYRQRQNR-UHFFFAOYSA-N 376.331 2.648 0 40 GFAB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664406 VCHULGRMZLQLLR-RKVPGOIHSA-N 394.349 2.805 0 40 GFAB CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 89983671 BWGYRCNZIGQPJE-ZDUSSCGKSA-N 376.478 2.926 0 40 GFAB CS(=O)(=O)C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1ccccc1 83984503 LCSNFOYBPPSVSY-HOCLYGCPSA-N 381.544 2.981 0 40 GFAB COC(=O)c1cccc(CS(=O)(=O)Nc2ccc(C)cc2CN(C)C)c1 95448002 HYFUTQLTUZWRAK-UHFFFAOYSA-N 376.478 2.785 0 40 GFAB Cn1ncc2c(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)ncnc21 78899375 LKIAMCMDUGLDPO-UHFFFAOYSA-N 383.799 2.638 0 40 GFAB CC(C)n1cc2c(n1)C1(CCN(Cc3ccc4c(c3)OCO4)CC1)CN(C)C2=O 306134285 NHPZUVAKJVYMSK-UHFFFAOYSA-N 396.491 2.812 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 67320506 GYCUCPGPSGCULJ-MRXNPFEDSA-N 395.434 2.633 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(Cn2cc(Br)cn2)cc1 27970013 CMJLMLKPZXIGPA-UHFFFAOYSA-N 379.302 2.766 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1 20013659 WKETZWKRJQMNPH-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 21449724 UZQJJQFOIDRZBP-NRFANRHFSA-N 391.515 2.946 0 40 GFAB C[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn12)Cn1cccn1 36619378 PPBKVILQUQSVST-CYBMUJFWSA-N 395.854 2.707 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1OCC 408699748 YZDRZORZSZMLAK-UHFFFAOYSA-N 396.896 2.967 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)n2c1nc1ccccc12 39963957 ZTPQNRQLFRSHIO-SFHVURJKSA-N 378.432 2.908 0 40 GFAB C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cn2ccccc2n1 563419724 YNHFFMWFTYCLDC-QGZVFWFLSA-N 377.492 2.573 0 40 GFAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)[C@H]1CO 72321145 CCQUKIYGBRFHET-NFBKMPQASA-N 396.487 2.785 0 40 GFAB biogenic,in-vitro O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCN(Cc2cccnc2)CC1 40104165 LJUHGCMWXWYVFS-UHFFFAOYSA-N 376.363 2.753 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)c1 44902190 VIRDZTNAMFKUJH-UHFFFAOYSA-N 377.418 2.592 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)CC4)c2)n1 226093745 YWJOMFMAEGLCOG-UHFFFAOYSA-N 398.422 2.869 0 40 GFAB COC(=O)[C@@H](NC(=O)C1=C(C(=O)O)CCCC1)c1ccc(OC)c(Cl)c1 199410609 ZFUXGRBQTWCRFU-HNNXBMFYSA-N 381.812 2.634 0 40 GFAB CCCC[C@@H](CC)CNC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224554392 SWYJCLVCOZFGKB-OAHLLOKOSA-N 380.510 2.944 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1F 220094691 BTEPMFJHVMPMKA-QGZVFWFLSA-N 394.443 2.925 0 40 GFAB CCCC[C@H](CC)CNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224341418 QZYFGWKSEIEVEJ-HNNXBMFYSA-N 387.521 2.771 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 77184835 NDHQHCYQPLMGAA-NRFANRHFSA-N 389.517 2.846 0 40 GFAB Cc1nccn1CC1CCN(C(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)CC1 97553172 DLFFHCUDIBFKEM-UHFFFAOYSA-N 387.415 2.606 0 40 GFAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21 96053275 NEVIMWIUKNKBNJ-QGZVFWFLSA-N 379.460 2.759 0 40 GFAB C[C@H](C1CCCCC1)N(C)S(=O)(=O)c1ccccc1C(=O)N1CCOCC1 585080028 XGBKZHOVQIDUEM-MRXNPFEDSA-N 394.537 2.748 0 40 GFAB COc1ccccc1CC(=O)N1CC[C@H](c2cn3cccc3c(N(C)C)n2)C1 257258141 KSMZUWUFPGYGJV-KRWDZBQOSA-N 378.476 2.968 0 40 GFAB CC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257304768 SNCDARQYUSQTBG-QGZVFWFLSA-N 383.370 2.970 0 40 GFAB CCC(CC)N1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3OC)CC2)CC1=O 604252949 VIOXHCCICGFMDD-HNNXBMFYSA-N 391.487 2.520 0 40 GFAB Cc1ccc([C@H](C)N(C(=O)c2cn(CC(N)=O)nn2)c2cc(C)ccc2F)cc1 97163207 JUMXPBOFBKZQHM-HNNXBMFYSA-N 395.438 2.927 0 40 GFAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@](CO)(c2ccccc2)C1 509351143 OSXHLYGBKLLUNH-NRFANRHFSA-N 392.463 2.529 0 40 GFAB CCN(CC)CCOC(=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O 5214750 QTMNAFGPMLULLA-PEZBUJJGSA-N 376.478 2.998 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 11513313 SHYOOIPAECWUSK-UZLBHIALSA-N 394.471 2.850 0 40 GFAB COc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)ccc1-n1cnnn1 19126188 LCHPNLBLXJZGQW-UHFFFAOYSA-N 376.420 2.741 0 40 GFAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccc(F)c(F)c1 19520548 PMXHDAPIQJTKOA-HNNXBMFYSA-N 375.419 2.999 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n(C2CCN(C(=O)c3cccs3)CC2)n1 19577869 MPYDOABVZZHWHH-UHFFFAOYSA-N 397.504 2.799 0 40 GFAB Cc1cc(C)n(CCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)n1 19719975 MDHQQXVGHCLQGR-UHFFFAOYSA-N 378.480 2.953 0 40 GFAB CC(C)(CNC(=O)Cn1cc(NC(=O)c2ccccn2)cn1)c1cccc(F)c1 19749400 BVHPUSAWZCTNLO-UHFFFAOYSA-N 395.438 2.764 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 19020213 FUXCOOWKISYBLM-WMZHIEFXSA-N 394.519 2.806 0 40 GFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)ccc1O 8221931 HUXQWDHRRAEQKN-YUSFRKCESA-N 390.461 2.838 0 40 GFAB O=C([C@@H]1CN(Cc2csc(-c3ccccc3)n2)CCO1)N1CCSCC1 1889149432 BBLDUIVUBAVMAZ-KRWDZBQOSA-N 389.546 2.586 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3c(C)noc3C)o2)cc1 1889237983 QXELBADBJLFPPI-UHFFFAOYSA-N 389.433 2.988 0 40 GFAB CC(=O)N1CCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)C[C@@H]1c1ccccc1 1848354867 ZTPKMXFHZOXYSC-OAQYLSRUSA-N 391.475 2.715 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)CCOc3ccccc3)CC2)c1 30108824 BAEFTEPINYEGJK-UHFFFAOYSA-N 384.476 2.817 0 40 GFAB Cc1ncccc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037839728 BPQRNVFUSKSURC-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB Cc1cccc(CN2CCC[C@]3(CCCN(C(=O)c4cn(C)nc4C)C3)C2)n1 2056224635 MYNNQZGIQHVUKK-QFIPXVFZSA-N 381.524 2.950 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2OC)c1 909909 GPZDVIUQKPXUSB-IBGZPJMESA-N 397.431 2.979 0 40 GFAB O=C(NCCC1=CCCCC1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374460 CLMXEOAHQQDHEV-MRXNPFEDSA-N 385.464 2.753 0 40 GFAB Cc1nc(C(=O)N2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)cs1 2055751438 XWTMYOKNSJJDQF-UHFFFAOYSA-N 384.505 2.771 0 40 GFAB Cn1cc(CC(=O)NC2CN(c3ncnc4ccsc34)C2)c2ccccc21 1775978499 SMFOQILTTALILU-UHFFFAOYSA-N 377.473 2.731 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCn2ccn3nc(-c4ccco4)cc23)cc1 206751337 DACSKXZAUADXGR-UHFFFAOYSA-N 398.444 2.577 0 40 GFAB COc1c2ccc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)cc2nn1C 206972667 ZOZMMUDFBBMSLZ-UHFFFAOYSA-N 397.431 2.527 0 40 GFAB O=C(N1CC(c2nc(-c3ccncc3)no2)C1)C1(c2ccccc2)CCOCC1 49031999 GNKXWCRMLQMTCK-UHFFFAOYSA-N 390.443 2.806 0 40 GFAB CN1c2cc(F)c(NC(=O)NCc3ccc(Cl)cc3)cc2N(C)S1(=O)=O 575613870 XFIOJBWUNRUZLP-UHFFFAOYSA-N 398.847 2.932 0 40 GFAB CC(=O)NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 514287264 SULRDUFTKVHNDO-LJQANCHMSA-N 382.416 2.505 0 40 GFAB COc1ccccc1OCC(=O)N1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 19571426 SPPROEORJOMIPG-JBYIUTFZSA-N 384.451 2.960 0 40 GFAB O=S1(=O)CC[C@H](N(Cc2nnc(-c3ccccc3)o2)Cc2cccs2)C1 40012102 SEHLZQRAGKDBCR-HNNXBMFYSA-N 389.502 2.987 0 40 GFAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20025297 QGXQCTSNYIUTPY-QWRGUYRKSA-N 379.844 2.656 0 40 GFAB COc1ccc(NC(=O)Cn2c(=O)nc(N)c3c4c(sc32)CCCCC4)cc1 40284789 FSZVVVOEQIHKMI-UHFFFAOYSA-N 398.488 2.956 0 40 GFAB COC(=O)CCCNC(=O)CN1CCc2sccc2[C@H]1c1cccs1 50508037 HVYSUONKPFZYAA-SFHVURJKSA-N 378.519 2.827 0 40 GFAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 31192080 MBVKQBICNOPDGJ-UHFFFAOYSA-N 396.397 2.953 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)NC[C@H](O)c3ccc(F)c(F)c3)CC2=O)c1C 31301241 SWSWZQWMYXQZHF-BEFAXECRSA-N 388.414 2.784 0 40 GFAB COc1cccc(N2C(=O)C[C@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)c1 100791915 PNRYUZKANXKBKO-FQEVSTJZSA-N 375.428 2.867 0 40 GFAB biogenic CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3CCc3ccccc32)C1=O 31673294 HNJVAWGEXXVDLK-UHFFFAOYSA-N 391.427 2.649 0 40 GFAB c1ccc([C@@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)nc1 20567799 WKBUDTOSABZKAJ-HXUWFJFHSA-N 396.458 2.570 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 4888740 CMEYIZXWOWHHMX-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB COc1ccccc1C(=O)NCC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 2656531 IUSPLTVARBRTGD-UHFFFAOYSA-N 395.411 2.892 0 40 GFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 6732880 ZILHQKCZVJDCRB-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)OCC(=O)c1ccc(Cl)s1 7569540 UNHOWJVEHCUHOV-UHFFFAOYSA-N 384.866 2.953 0 40 GFAB CC(C)[C@H](C(=O)OCc1nccn1C(F)F)N1C(=O)c2ccccc2C1=O 32853904 HWDRXDOUFRXKBD-CQSZACIVSA-N 377.347 2.642 0 40 GFAB COc1ccc2cc(CN(C)C(=O)CSc3nnnn3C3CC3)ccc2c1 8325868 UOAAMTRVAPOYIZ-UHFFFAOYSA-N 383.477 2.921 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)c1 10112272 CJBFGUZMIPYDHH-UHFFFAOYSA-N 376.434 2.877 0 40 GFAB CCCCNC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10329894 KUIYJOOXJMXMMK-UHFFFAOYSA-N 376.906 2.811 0 40 GFAB C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)N(C)C)n2Cc2ccco2)C1 11987225 NDWXEPCHQHQRMS-KBPBESRZSA-N 377.514 2.582 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@H]3C2=O)cc1 2787445 ACCQGHIXOMPUAC-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 108859129 NJTIPEZDFSWMHQ-ABHRYQDASA-N 392.525 2.877 0 40 GFAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc(F)cc1F)CC(=O)N2 33271383 FGYBLCPBUUAGGK-CYBMUJFWSA-N 395.373 2.679 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccc(C(C)(C)C)cc2)C1 58045078 WHHHWYPTNNLADJ-INIZCTEOSA-N 396.553 2.541 0 40 GFAB O=C(NCCCCN1CCOCC1)c1cc2ccc(Br)cc2[nH]1 53450088 QAQFOPPINNIZAF-UHFFFAOYSA-N 380.286 2.773 0 40 GFAB O=CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 12322516 BKPGBMYNVDHCOA-OAQYLSRUSA-N 393.443 2.647 0 40 GFAB c1ccc(-n2nnnc2CN2CCN(Cc3nc4ccccc4s3)CC2)cc1 22802915 QGJSWVNLBGHHTF-UHFFFAOYSA-N 391.504 2.590 0 40 GFAB CC(C)C[C@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)N1CCOCC1 22970687 INWUOTOCYGSYIS-LJQANCHMSA-N 396.535 2.838 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCCCCC1 22962130 GBLOOVPEYYLWJD-IBGZPJMESA-N 378.538 2.992 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc21 23080995 UWOWTEZYSQFYKJ-IBGZPJMESA-N 394.475 2.885 0 40 GFAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(Cl)ccc1-n1cnnn1 24985527 IQOFPHXUAAULQB-UHFFFAOYSA-N 384.783 2.525 0 40 GFAB C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1C[C@H]2CC[C@H]1C2 105699259 ZPBMEZXJPKFSKL-QBYUYEEZSA-N 393.505 2.563 0 40 GFAB C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2 105699252 ZPBMEZXJPKFSKL-JKQORVJESA-N 393.505 2.563 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)N2CCSc3ccc(Cl)cc32)CC1 58714787 OYHIOKLNJUKSSZ-UHFFFAOYSA-N 388.942 2.840 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(C)c1 20022213 WHPJUUORBRBHMC-UHFFFAOYSA-N 398.431 2.979 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCCc2ccccc21 3266400 OMYHTQCVXDCVKG-NRFANRHFSA-N 394.471 2.964 0 40 GFAB CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCN(c2ccc(F)cc2)CC1 57719373 CWJARBPJHZWNJA-LJQANCHMSA-N 384.459 2.973 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H](C(=O)OCC)C2)c1C 57406291 WRCIABDVMDFQBI-GJZGRUSLSA-N 378.469 2.655 0 40 GFAB CCOC(=O)c1c(CN2CCN(c3ncccn3)CC2)nc2ccccc2c1C 57449227 GZBGKARUYIJCGK-UHFFFAOYSA-N 391.475 2.832 0 40 GFAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1ccccc1)S(C)(=O)=O 57411680 ITYNUIJNQPGXRR-HNNXBMFYSA-N 378.519 2.750 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 12600743 YFNIDUJPFXZZCP-HXUWFJFHSA-N 399.491 2.807 0 40 GFAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC 20637644 QUFLEQWUHNHJDV-ROUUACIJSA-N 395.415 2.774 0 40 GFAB COCCS(=O)(=O)c1ccc(C(=O)N2CCSc3ccccc32)cc1 58195448 OXXGZEPGZMPXDY-UHFFFAOYSA-N 377.487 2.859 0 40 GFAB NC(=O)[C@H]1CCCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10219965 IQENSMHKXICBAA-MRXNPFEDSA-N 375.856 2.556 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCSCC1 2329869 MLPAGDGZJLLISA-UHFFFAOYSA-N 379.457 2.861 0 40 GFAB CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2433230 ZXDGKJVGKVGXGC-SJKOYZFVSA-N 387.432 2.809 0 40 GFAB C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 89904306 SUKKKSCEENMPEM-WBVHZDCISA-N 390.443 2.837 0 40 GFAB C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)NC(=O)NC(C)(C)C 11380799 OZHFDQXGBOEXGF-LBPRGKRZSA-N 394.545 2.708 0 40 GFAB CCOc1ccc(-n2ncc(C(=O)N(Cc3ccncc3)C3CC3)c2C)nn1 48279390 IUBZZDRIYHHZQU-UHFFFAOYSA-N 378.436 2.569 0 40 GFAB CC(C)n1ncc2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cnc21 12997954 GFZYFUITQLWYQR-KRWDZBQOSA-N 377.448 2.999 0 40 GFAB CCCCCCOc1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 4122040 DUTPATHNLHNYFK-HNNXBMFYSA-N 378.469 2.716 0 40 GFAB Cc1ccc2c(COC(=O)c3ccccc3NS(C)(=O)=O)cc(=O)oc2c1 4486700 UKJIZYOKVVKPJE-UHFFFAOYSA-N 387.413 2.830 0 40 GFAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C1CC1 14093459 JJWNXZABVSWMSN-AWEZNQCLSA-N 387.509 2.877 0 40 GFAB COc1ccc(NC(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)cc1OC 5352570 LFVPRUQGZOBMAV-LGMDPLHJSA-N 396.443 2.990 0 40 GFAB biogenic CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 68779681 AQJHVOQAHMUMNI-JXMROGBWSA-N 399.516 2.529 0 40 GFAB COc1cccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Br)cc32)c1 4554997 DQIDYFCMUZQYKX-SFHVURJKSA-N 390.233 2.895 0 40 GFAB Cc1ccccc1N(CC(=O)Nc1nc2c(s1)CCCC2)S(C)(=O)=O 6651634 CDAHLMQUHPAXAR-UHFFFAOYSA-N 379.507 2.735 0 40 GFAB Cc1cc(OCC(=O)NC[C@H](O)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 6659923 LZWHSJFFSOGTJD-KRWDZBQOSA-N 381.428 2.947 0 40 GFAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc1N 8787837 GHZOTQGVKQRTJO-NSHDSACASA-N 388.449 2.557 0 40 GFAB CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)CC)cc1 5718741 VWFXTLZASRTELR-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(Br)s1 23671469 ZPRLTSJTNYPQLR-UHFFFAOYSA-N 388.308 2.887 0 40 GFAB Cc1cc(CNC(=O)COC(=O)CCC(=O)c2cccs2)cc(C)c1O 7063323 DCFARZORIGNCTH-UHFFFAOYSA-N 375.446 2.893 0 40 GFAB O=C(COC(=O)Cc1noc2ccccc12)NCCc1nc2ccccc2s1 18965860 KAPYRVDGRNYCQA-UHFFFAOYSA-N 395.440 2.882 0 40 GFAB Cc1csc([C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)n1 67938229 VWRCAHVLDRKBAD-CYBMUJFWSA-N 383.477 2.715 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)COc1c(C)cc(Br)cc1Cl 7627833 ZDWKFKBBACNNRM-SNVBAGLBSA-N 391.693 2.821 0 40 GFAB CCN1CCC[C@H]1CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7724442 PPLHAKGCZGIQHG-SFHVURJKSA-N 390.487 2.659 0 40 GFAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)cc2)n1 78815417 OMMSNEAECMZRIQ-LJQANCHMSA-N 395.484 2.807 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 24153038 WRRUNGMGILZKKJ-UHFFFAOYSA-N 385.239 2.596 0 40 GFAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 83987595 RGDHVOIRGLIZTE-OAHLLOKOSA-N 396.415 2.980 0 40 GFAB Cc1ccc(-n2nc(C(=O)N(C)Cc3nnc(C4CC4)n3C)c3c2CCC3)cc1 72305511 BMBSFFDPKDABEY-UHFFFAOYSA-N 390.491 2.948 0 40 GFAB CC(C)(C)OC(=O)[C@@](C)(O)CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1 95943566 KJRBPKRQPDPAGY-FQEVSTJZSA-N 396.915 2.627 0 40 GFAB O=c1nc(SCc2ccc(F)cc2)c2c(n1[C@H]1CCS(=O)(=O)C1)CCC2 27795595 QBYBYTKMZCTRJG-AWEZNQCLSA-N 394.493 2.523 0 40 GFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)c(OC)c1 67768053 XLSKLFYKFPWZOO-UHFFFAOYSA-N 389.433 2.575 0 40 GFAB Cc1cccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1C 408927453 VJFZOUPGMYAHIU-UHFFFAOYSA-N 396.534 2.712 0 40 GFAB CC(=O)Nc1cc(C(=O)Nc2ccc(N3CC[C@@H](N(C)C)C3)cn2)ccc1C 533453286 VSKHIRHOPVTMJP-GOSISDBHSA-N 381.480 2.741 0 40 GFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)C)CCO1 72389219 QZXPVUJGIOJPOX-OAQYLSRUSA-N 386.517 2.957 0 40 GFAB CC(=O)NCCc1nc2cc(NC(=O)NCOc3ccc(C)cc3)ccc2n1C 32581201 NNJPZOZUOKTAJE-UHFFFAOYSA-N 395.463 2.718 0 40 GFAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217449274 XFEUQQQEVRKTJV-UHFFFAOYSA-N 384.498 2.834 0 40 GFAB CCOc1ccc(NC(=O)Cn2c(=O)c3nnc(CC)n3c3ccccc32)cc1 64871513 DUOGDZSIODWKKN-UHFFFAOYSA-N 391.431 2.644 0 40 GFAB CCCCCCC(=O)CCCCCC/C=C/C[C@H]1OC(=O)[C@@](N)(CO)[C@H]1O 33913341 SWRBTIXRGZAKBN-PJMUWQDTSA-N 383.529 2.789 0 40 GFAB COCCn1ccc2ccc(C(=O)N3CCN(CCc4ccncc4)CC3)cc21 79478144 GOYRHYMDCQMRDP-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB CCSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)s1 223446117 HAVKPEJZFCBKKP-UHFFFAOYSA-N 392.915 2.927 0 40 GFAB COc1ccc(CCNC(=O)c2ccnc(O[C@H]3CCSC3)c2)cc1OC 225719646 SUOZLNFTSMQPMJ-INIZCTEOSA-N 388.489 2.956 0 40 GFAB COc1ccccc1NC(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77198018 RTVPIBMFEUTYBX-UHFFFAOYSA-N 393.447 2.742 0 40 GFAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCc1cccc2ccccc12 225879284 FZFWBSUKKJDCJI-UHFFFAOYSA-N 389.502 2.931 0 40 GFAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1Cl 44782959 QLRSOVAYOMMNPZ-QGZVFWFLSA-N 398.887 2.831 0 40 GFAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)n1-c1cccnc1 223610816 VEPSYNJNVIBZDW-WOJBJXKFSA-N 393.516 2.931 0 40 GFAB COCCN(C)C(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96155258 AJOQYSJJHPQCAJ-UHFFFAOYSA-N 375.432 2.905 0 40 GFAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCCc3nc4ccccc4[nH]3)C2)n1 96232818 GKIDFGTZYQNMDB-KRWDZBQOSA-N 392.507 2.935 0 40 GFAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(OCCO)cc2)O[C@@H]2CCCC[C@@H]12 257317349 VJKFVUJOAMGFPS-MTQWCTHYSA-N 377.481 2.599 0 40 GFAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 257211588 BZLBTBADXWHLQT-HNNXBMFYSA-N 396.900 2.681 0 40 GFAB COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CNC(C)=O)C3)c2)cc1 257282301 OTFRARFRYHFAGB-KRWDZBQOSA-N 396.491 2.984 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)c3cccc(OC(F)(F)F)c3)CC2)n1 253537234 GEKRLQCZQLPAGQ-UHFFFAOYSA-N 396.369 2.788 0 40 GFAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1cscn1 253599467 QCYPIRGPUHUYOL-CQSZACIVSA-N 377.535 2.924 0 40 GFAB C[C@@H]1CN(C(=O)NCc2cccc(OCc3ccccn3)c2)CC[C@H]1C(=O)O 626744994 GCUDAPBNWHONBB-DNVCBOLYSA-N 383.448 2.913 0 40 GFAB O=C(CN1CCCC[C@@H](O)C1=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 644338519 JTCYUPOLMBHXAO-MRXNPFEDSA-N 389.839 2.839 0 40 GFAB CC(C)c1nc(-c2ccccc2NC(=O)[C@H](C)n2cnc3c(N)ncnc32)n[nH]1 667000786 ORHHSROQNJIRSA-NSHDSACASA-N 391.439 2.517 0 40 GFAB O=C(O)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1 677044636 AKJRJYJDECSASN-UHFFFAOYSA-N 379.338 2.761 0 40 GFAB O=C(NCCc1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96122162 KLUWSJOWYCUUGT-UHFFFAOYSA-N 378.881 2.750 0 40 GFAB Cc1cccc(N2CCC(O)(CN3CC[C@]4(C)NC(=O)CCCC[C@H]34)CC2)c1 585282113 AMKKQEHDFHBAML-UNMCSNQZSA-N 385.552 2.850 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)C2)n1 61863861 BJPHINPXLXFOAI-ROUUACIJSA-N 397.479 2.631 0 40 GFAB O=C(NCCNC(=O)c1ccc(Br)cc1F)NC1CCCCC1 84339183 RFEHSQNNDHSZFZ-UHFFFAOYSA-N 386.265 2.950 0 40 GFAB O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 13070594 KALWYFZXXJAQNV-CQSZACIVSA-N 396.415 2.674 0 40 GFAB CCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1 16678368 QDOSFKVMYNIUPV-UHFFFAOYSA-N 383.473 2.562 0 40 GFAB Cc1cccc2c(C[C@H](C)NC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)c[nH]c12 19236593 AYFQAJMHVUMSSI-QFBILLFUSA-N 390.487 2.967 0 40 GFAB NCCn1nc([C@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2cccnc21 19346691 XXGLZMQMWILGQB-INIZCTEOSA-N 397.910 2.992 0 40 GFAB O=C(c1ccccc1F)N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19347498 UFOVQTYOKRDURH-CYBMUJFWSA-N 387.436 2.891 0 40 GFAB C[C@H](NC(=O)CC1CCN(C(=O)c2ccc(=O)n(C)c2)CC1)c1ccccc1 19748589 HDTIQTNRHXORNN-INIZCTEOSA-N 381.476 2.505 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(Cl)cc1Cl 206734288 BXFNSFSODFIACH-UHFFFAOYSA-N 396.278 2.938 0 40 GFAB Cc1nccn1CC1(O)CCN(Cc2cn(CCN(C)C)c3ccccc23)CC1 12143457 XKRPJBKPAGUIAF-UHFFFAOYSA-N 395.551 2.735 0 40 GFAB O=C1N[C@@]2(CCc3ccccc31)CCN(Cc1ccnc(N3CCCCC3)n1)C2 19375268 HTUACNJBTXGRPK-QHCPKHFHSA-N 391.519 2.788 0 40 GFAB CSc1nc(C)c(C)c(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)n1 1888897677 BDEOMEYQJZFBRV-UHFFFAOYSA-N 383.525 2.801 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCC(COc2ccc3nccn3n2)CC1 1888921712 ZVXDOOIMXFCDHH-UHFFFAOYSA-N 376.420 2.537 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037850024 IDWHSDSTQAVOLZ-QFIPXVFZSA-N 397.475 2.649 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1 4537365 AQDKBVACGSULHH-UHFFFAOYSA-N 375.479 2.850 0 40 GFAB O=C(COc1ccccc1F)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13801990 VZSKLHDCNICFOY-UHFFFAOYSA-N 399.397 2.774 0 40 GFAB COc1cccc(CN2C[C@H]3[C@H](CC(=O)Nc4cccnc4)COC[C@H]3C2)c1 2055759422 YFSOHJKQSNFUNC-OPYAIIAOSA-N 381.476 2.813 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21 21756929 YQPBTSCJYCQKCS-UHFFFAOYSA-N 392.452 2.693 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(S(=O)(=O)CC)cc3)ccc21 23113788 QOUQJAXTLXFUHT-UHFFFAOYSA-N 399.472 2.771 0 40 GFAB O=C(CS(=O)(=O)Cc1nc2ccccc2s1)NCc1ccc(F)cc1 40070094 UWUSDIYXZJOOBX-UHFFFAOYSA-N 378.450 2.667 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CCn1ncc(=O)c2ccccc21 40009591 DSAJUZJHPGGYTL-UHFFFAOYSA-N 379.416 2.564 0 40 GFAB O=C(NC1CC1)c1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn23)cc1 40150899 VRLIRKOICALTDZ-UHFFFAOYSA-N 390.852 2.681 0 40 GFAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20290660 SQAJLAVFEKAKKH-MANSERQUSA-N 392.386 2.514 0 40 GFAB Cc1nn(-c2ncccn2)c2c1[C@@H](C(=O)c1ccc3c(c1)OCO3)CC(O)=N2 32073126 JCHULSAPQBGOBJ-LBPRGKRZSA-N 377.360 2.658 0 40 GFAB Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)s1 45934922 OKUMBNKGNNZFSB-CQSZACIVSA-N 384.457 2.762 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 1513373 KQPRHJMKKKCYAV-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1cc(OC)c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]c2c1OC 32633137 IGEZUPCDOORPCG-UHFFFAOYSA-N 384.388 2.852 0 40 GFAB Cn1c(CNC(=O)Cc2ccc3c(c2)OCO3)nnc1SCc1ccccc1 4399654 UUNKXUHRNSZQCR-UHFFFAOYSA-N 396.472 2.695 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)[C@@H](C)Oc3ccc(C)cc3)C(=O)[C@@H]21 102217369 DFFRHIGGYFKYAY-DZLVSBGCSA-N 382.460 2.771 0 40 GFAB COc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 4998204 TZNZHMCNGVYBQM-GFCCVEGCSA-N 389.433 2.793 0 40 GFAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)[C@@H]1CCS(=O)(=O)C1 21599205 NVJUGFRZXAOUPQ-LLVKDONJSA-N 379.438 2.575 0 40 GFAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(C(=O)c2cccs2)CC1 7360425 NSQVARLRIBCLKV-INIZCTEOSA-N 383.517 2.874 0 40 GFAB O=C(NCc1ccccc1F)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 7755247 QBURCFUZJPOWMF-SFHVURJKSA-N 376.453 2.685 0 40 GFAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7974897 ADKQCHGZSVVOEC-UHFFFAOYSA-N 390.480 2.851 0 40 GFAB Cc1ccc(C)c(OCCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 10215891 YVMLMJMRSXXYLN-UHFFFAOYSA-N 382.416 2.601 0 40 GFAB C[C@@H]1Cc2cc(C(=O)Nc3nc4c(s3)CCCC4)ccc2N1S(C)(=O)=O 11986163 AOHIOQUFHFMZLW-LLVKDONJSA-N 391.518 2.985 0 40 GFAB CCOC(=O)c1sc2ncn3nc(CCn4cc(Cl)cn4)nc3c2c1C 2790976 CVLHTTWGSAGBPD-UHFFFAOYSA-N 390.856 2.917 0 40 GFAB COc1ccc(CN(C)C(=O)CCc2c(C)nc(SC)[nH]c2=O)cc1F 22236248 CWMJVIXFIWYYGY-UHFFFAOYSA-N 379.457 2.539 0 40 GFAB CN(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCCCC1 24976324 NSGJOUSPOATWDN-QGZVFWFLSA-N 380.510 2.549 0 40 GFAB COc1ccc(CCNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1OC 1427295 FTKKMTGZOGNDRH-GOSISDBHSA-N 386.473 2.866 0 40 GFAB CN(C)CCCN1CC2=C(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2C 57531504 RGKCXZZODZCKJJ-INIZCTEOSA-N 397.306 2.738 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1F 20801557 ZTHHZNBQGXVEJT-OALUTQOASA-N 395.434 2.590 0 40 GFAB Cc1ccc(OCC(=O)N2CCN(c3nccs3)CC2)c(Br)c1 10270210 UQGZPKFRPIRISX-UHFFFAOYSA-N 396.310 2.942 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCSc2c(F)cccc21 12622397 WYLZBXAITRIWAZ-AWEZNQCLSA-N 388.420 2.638 0 40 GFAB CC1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 28067496 PINUIXDRVKCQFS-INIZCTEOSA-N 377.916 2.931 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 408552665 MTGRHKGRAGTXGG-UHFFFAOYSA-N 389.839 2.741 0 40 GFAB Cc1cc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(C)n1C(C)C 10911984 IJJIFWOFWZYNPY-UHFFFAOYSA-N 383.370 2.848 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)NCCOc1cccc(C(F)(F)F)c1 48367629 NVVDQRBQZGSDKM-UHFFFAOYSA-N 380.366 2.939 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nc(Cl)c(Cl)c(Cl)c1Cl 48380780 MPHIHBMZTDXRHD-SCSAIBSYSA-N 378.064 2.612 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCCOc1ccc(F)cc1 12867277 NVEOIZMZGLFIIZ-UHFFFAOYSA-N 375.425 2.941 0 40 GFAB Cc1ccc2nc(COc3ncnc4c3cnn4-c3ccccc3)cc(=O)n2c1 3447742 KUOSFULUBRMWOR-UHFFFAOYSA-N 384.399 2.711 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 12900760 FLELJAKULOGROP-KRWDZBQOSA-N 375.432 2.758 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)NC1CCCC1 12986927 FAWVKVBYFUDRMA-UHFFFAOYSA-N 382.302 2.687 0 40 GFAB COC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc2c(c1)OCCCO2 12924556 UKILMJQWCFXXPR-UHFFFAOYSA-N 387.388 2.661 0 40 GFAB COc1ccc([C@H]2O[C@@H](C)CN(C(=O)c3ccc4c(c3)OCO4)O2)cc1OC 3618946 PWBBMFJXABAUDW-YUNKPMOVSA-N 387.388 2.924 0 40 GFAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCN(C(=O)C2CC2)CC1 13003320 VMQMSVJTQDIRLE-UHFFFAOYSA-N 389.402 2.633 0 40 GFAB O=C(O)C[C@H]1Sc2nnc([C@@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 13182940 LDLNZPMXUNJJTA-NWDGAFQWSA-N 378.841 2.984 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)n(C)c1 17297844 QJXOHGHVHCDAGA-UHFFFAOYSA-N 397.928 2.682 0 40 GFAB CNC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1 8562546 ADJWVUCVTHINIC-UHFFFAOYSA-N 385.424 2.701 0 40 GFAB C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 69950312 LRYBTQQMJRVRDR-CQSZACIVSA-N 395.444 2.993 0 40 GFAB CC(=O)c1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 6385770 NCXGEMLQWXFABK-UHFFFAOYSA-N 393.399 2.554 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C(C(N)=O)=C(C)N3)cc1 4574622 VYNPBCKSLYJWRY-KRWDZBQOSA-N 379.395 2.867 0 40 GFAB CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 6587645 PUJUNCANAAXUDK-JSGCOSHPSA-N 388.497 2.639 0 40 GFAB C[C@@H](NC(=O)CCCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 4739932 SFBJSSWPVOQEGH-GOSISDBHSA-N 380.492 2.778 0 40 GFAB COc1cccc(CN(C(=O)c2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 6810892 JSIGVEJACVTLQY-QGZVFWFLSA-N 389.473 2.533 0 40 GFAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3OC)n2)cc1 4943669 CVAOKTWTEGCOHA-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccccc3F)CC2)c1 67284420 GXWFHAAQGAIGDB-UHFFFAOYSA-N 380.427 2.958 0 40 GFAB O=C1COc2ccc(C3=Nn4c(nnc4-c4ccccc4F)SC3)cc2N1 7063311 MALUXFZNEOZMMR-UHFFFAOYSA-N 381.392 2.773 0 40 GFAB COc1cccc(-c2ccc(CNCCc3ccc(S(N)(=O)=O)cc3)o2)c1 15356869 AFJKVHTTXVBPKW-UHFFFAOYSA-N 386.473 2.935 0 40 GFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1=O 67320334 SEWPACUFJHHLTO-UHFFFAOYSA-N 387.798 2.739 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1Cc2ccccc2O1 15579418 ZAPKKYSAQVOOBU-IBGZPJMESA-N 386.473 2.803 0 40 GFAB Cn1nc(C(=O)N[C@@H](CC(=O)O)c2cccc(Oc3ccccc3)c2)ccc1=O 9550318 PISDQBORWMVVHY-SFHVURJKSA-N 393.399 2.518 0 40 GFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCO2 79192297 UXXXQWHAZXLVOP-APWZRJJASA-N 380.352 2.978 0 40 GFAB biogenic CC(C)S(=O)(=O)CCCN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 84622128 LJWZICNXFUYROD-GOSISDBHSA-N 380.554 2.538 0 40 GFAB O=C(Nc1ccc(CN2CCOCC2)cn1)c1ccn(-c2c(F)cccc2F)n1 95976288 WUYRGYHXXXHVPT-UHFFFAOYSA-N 399.401 2.630 0 40 GFAB O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 408656186 HKBZBJXZRMLNPV-WRNCNIFXSA-N 382.460 2.839 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 36384376 YHXGYQKOYWFHJD-QOKNQOGYSA-N 394.537 2.570 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 72389181 KCNTYWMAWMJYEU-HSZRJFAPSA-N 395.503 2.823 0 40 GFAB C[C@H]1CCN(S(=O)(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)C1 537558881 PJXWXLPZMJKNOW-SFHVURJKSA-N 377.554 2.561 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 35312018 USADQSZANDXYOH-UHFFFAOYSA-N 385.439 2.667 0 40 GFAB O=C(CN1C(=O)COc2ccccc21)N(Cc1cccnc1)Cc1ccco1 35315002 NENONABXCFUEDT-UHFFFAOYSA-N 377.400 2.629 0 40 GFAB COc1cc(C)ccc1CN1CCCC[C@@H]1c1nnc2n1CCN(C(C)=O)CC2 72372788 WJYFOKABOHCQSR-LJQANCHMSA-N 397.523 2.727 0 40 GFAB CSc1nn(CC(=O)Nc2ccccc2)c2nc3sc(C)cc3c(=O)n12 40267913 ITFNUFZNDACATL-UHFFFAOYSA-N 385.474 2.775 0 40 GFAB O=C(CCn1ccnc1)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347970 HGIXGXRUGGDDPF-CQSZACIVSA-N 392.385 2.900 0 40 GFAB COCc1cc(C(=O)O)cc(S(=O)(=O)N2C[C@H](C)Oc3cc(C)ccc32)c1 567796695 HGSHGANTIKMXHN-ZDUSSCGKSA-N 391.445 2.816 0 40 GFAB COc1ccccc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224738709 PNTACUKHNPENIM-UHFFFAOYSA-N 380.510 2.858 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c(OC)c1 223346102 XKEYVTUTRAGLLA-UHFFFAOYSA-N 398.824 2.603 0 40 GFAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)s1 223125437 LDBATUAWBHHSOS-QZTJIDSGSA-N 388.562 2.756 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccccc1C)S(C)(=O)=O 220331720 OXRRHDZNRLSXGV-INIZCTEOSA-N 390.505 2.783 0 40 GFAB Cc1cccc(CSCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 223122423 IWDBYQCPDMGAMJ-UHFFFAOYSA-N 392.546 2.665 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225125931 FCDVXFQELLQQQA-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CN1[C@H]2CCN(Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145704 INMNBOPNWORAAW-ROUUACIJSA-N 390.480 2.872 0 40 GFAB COCCn1cnc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)c1 96266795 FVNRRXVHHSNHSC-UHFFFAOYSA-N 389.459 2.817 0 40 GFAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCc4c([nH]c5ccccc45)C3)SC[C@@H]2N1 96115645 LWRYOTBDHCJQKK-BJLQDIEVSA-N 398.532 2.778 0 40 GFAB biogenic CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccn3)CC2)Oc2ccccc21 96053285 JQINUDCKEOWSRY-MRXNPFEDSA-N 379.460 2.759 0 40 GFAB CC[C@H](C)[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 230208254 FLMRIIGSFMEMHE-ZLGUVYLKSA-N 380.488 2.777 0 40 GFAB biogenic CC(C)n1cnc2c1[C@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 96265047 BGHKIHRHKMQDJJ-OAQYLSRUSA-N 390.491 2.670 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230575 UREIKWXMKSDHRU-ZFCANOHDSA-N 384.457 2.520 0 40 GFAB CCOC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252515904 OKCMYJZCYPWJIY-LMMKCTJWSA-N 375.515 2.935 0 40 GFAB CNC(=O)c1cnn2c(C3CCN(Cc4cc(F)cc(F)c4)CC3)ccnc12 257328458 XFSLAMGOCKMPDU-UHFFFAOYSA-N 385.418 2.747 0 40 GFAB O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)N[C@@H]1CCO[C@H]1c1cccnc1 623104060 YVDLQFXWNUTVSY-BQJUDKOJSA-N 389.459 2.953 0 40 GFAB COc1cc2c(cc1OC)CCN(C(=O)c1nc(-c3ccccc3)no1)CC2 631334595 LGGGZCLARWLINL-UHFFFAOYSA-N 379.416 2.995 0 40 GFAB CN1C(=O)CC[C@@H]1CC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 636132195 ZRWPKVXEDDPUBX-HXUWFJFHSA-N 383.536 2.902 0 40 GFAB Cc1nc(NC(=O)Cn2nc(-n3ccc4ccccc43)ccc2=O)sc1C 96103369 RXEHUILYLIZXCS-UHFFFAOYSA-N 379.445 2.899 0 40 GFAB Cc1cccc(COCC[C@@H]2CCOC23CN(C(=O)c2cccc(O)c2)C3)n1 575403140 JDPPBTOHXRPXKF-GOSISDBHSA-N 382.460 2.934 0 40 GFAB COc1ccc(C(=O)N2CCC(NC(=O)N[C@]34CCC[C@H]3C4)CC2)cc1OC 664165997 NFOUCSGVXWCNOA-BTYIYWSLSA-N 387.480 2.550 0 40 GFAB O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1cccc(Cl)c1 585282082 GVPVTTCVVPLFCW-ICSRJNTNSA-N 383.916 2.602 0 40 GFAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cc2c(F)cccc2s1 46051590 JYKIUBNTGNKBEH-BBRMVZONSA-N 378.469 2.508 0 40 GFAB COC(=O)C[C@H](NC(=O)Cc1nnn(-c2ccccc2)c1C)c1ccccc1 57139787 POYILHYXMWXNAE-IBGZPJMESA-N 378.432 2.539 0 40 GFAB CC(C)c1ncc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 1615118110 AHYKPQKEYQFZTA-UHFFFAOYSA-N 394.475 2.638 0 40 GFAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)NCCCO 5324414 NEPBWKZTKFVKES-UHFFFAOYSA-N 387.819 2.991 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCCc3ccccc3)n2)c(C)o1 12183764 CAEWLFKJZIBIJJ-AWEZNQCLSA-N 380.448 2.622 0 40 GFAB COCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)CC1 19700112 NJCNYHPQPIYGJQ-UHFFFAOYSA-N 395.503 2.635 0 40 GFAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)C2)cc1 19718932 GFMQBVRGGQWKRB-JOCHJYFZSA-N 380.492 2.817 0 40 GFAB NC(=O)C1(c2ccccc2)CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 604588945 NCOOVUGQLWUEIV-KRWDZBQOSA-N 393.487 2.781 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CCn1cnc2c(C)cccc2c1=O 25058442 NXDWTPCXIHQCPM-UHFFFAOYSA-N 394.431 2.701 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CCN1C(=O)c3ccc(C)cc3C1=O)OCO2 25127988 XSFGNQRODMDANN-UHFFFAOYSA-N 394.383 2.551 0 40 GFAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc2n1 27379047 SHFPLNOXKTVECI-MRXNPFEDSA-N 393.447 2.880 0 40 GFAB CC(C)C[C@@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)N1CCOCC1 32903083 AKRDQNOTBNPAEG-IBGZPJMESA-N 378.538 2.640 0 40 GFAB Cc1ccc(=O)n(CC2CN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)C2)n1 1775985932 JRNCNQBSDPGLBY-LBPRGKRZSA-N 396.274 2.784 0 40 GFAB COc1ccc(OC)c(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)c1 2037983928 LCQMKZJWRJFPJD-NRFANRHFSA-N 376.497 2.696 0 40 GFAB COc1cc(C)ccc1CN1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984083 PNHIYWJATRGHPR-HSZRJFAPSA-N 396.487 2.638 0 40 GFAB O=C(Cc1cn[nH]c1)NC[C@H]1CCC2(CCN(CC3CCCCC3)CC2)CO1 2056225338 LNUDRMVRDXHXQH-HXUWFJFHSA-N 388.556 2.910 0 40 GFAB Cc1noc(C)c1CN1C[C@@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 1565542804 UMQTYQSVYLAMLY-OAQYLSRUSA-N 387.455 2.682 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)C1 2456963 DMTOVZGFTXTIIC-LBPRGKRZSA-N 390.465 2.620 0 40 GFAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)cc3c2N1CCC3 5154151 PTLBNMIFUOEIPM-UHFFFAOYSA-N 378.400 2.991 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1ccc(F)cc1 9038177 TZMIPGDKARSLQI-AWEZNQCLSA-N 396.871 2.806 0 40 GFAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccc(Cl)cc4)cc1c32 9737993 OAPSTRBIDJEVQD-LBPRGKRZSA-N 397.862 2.991 0 40 GFAB CC(C)NC(=O)Cn1c(CO)cnc1SCc1ccc(Br)cc1 17113450 SPGWZXLIQZSKJU-UHFFFAOYSA-N 398.326 2.955 0 40 GFAB Cc1nn(CC(=O)N2CCCc3ccccc32)c(=O)c2c1cnn2C(C)(C)C 35589845 CLLMTONXJCUPJF-UHFFFAOYSA-N 379.464 2.636 0 40 GFAB CCOc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cn1 225733162 FNKLPNRRJDEYHE-UHFFFAOYSA-N 395.385 2.560 0 40 GFAB CCN(Cc1cccs1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 40030863 MWYRCWRHALTFHQ-UHFFFAOYSA-N 382.869 2.937 0 40 GFAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCCN1CCc2ccccc2C1 30317311 TXSUWOBLQNKCBX-KPKJPENVSA-N 389.499 2.767 0 40 GFAB CCOC(=O)c1c(NC(=O)NCCCN2CCOCC2)sc2c1CCCC2 20590984 RUWBXIAAYGJVMF-UHFFFAOYSA-N 395.525 2.647 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 7726643 YLWIFUYXLFFTQR-UHFFFAOYSA-N 388.445 2.791 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 32764421 IRSJZIWUPNOAGB-AWEZNQCLSA-N 385.420 2.738 0 40 GFAB CC(C)NC(=O)Nc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 52330125 CWGCKGAWTOGQLS-UHFFFAOYSA-N 390.465 2.840 0 40 GFAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCC1 6282845 ZMFMJSPEIUXNPK-UHFFFAOYSA-N 376.453 2.639 0 40 GFAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 6613738 BDWSBKWYLHJMNG-UHFFFAOYSA-N 398.532 2.639 0 40 GFAB Cc1cccc(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 10110730 GMGPHDHARIZABE-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2C)c(C)c1 10111640 WGGOHHXSXPMLIE-UHFFFAOYSA-N 389.521 2.704 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)NC3CC3)[C@H]2c2cccs2)cc1 10213093 TYRFPPBABONWMT-JXFKEZNVSA-N 398.484 2.973 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 32964257 GUDNXNBHGUCFCM-FQEVSTJZSA-N 398.459 2.964 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)s1 8767933 CGOQZOJAGASYRT-UHFFFAOYSA-N 382.551 2.538 0 40 GFAB COc1ccccc1OCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 12138470 FRNJGPAMIODJBE-QGZVFWFLSA-N 384.432 2.622 0 40 GFAB CC(=O)N[C@@H](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 52921194 PFYYIVXYFBBQBL-KRWDZBQOSA-N 394.880 2.950 0 40 GFAB O=S(=O)(c1ccc(NC[C@H]2COc3ccccc3C2)nc1)N1CCCCC1 61173286 ZSECZBXMORDGNI-INIZCTEOSA-N 387.505 2.919 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(OC)c1C 9259508 QERSOFXGMGASSL-XNTDXEJSSA-N 390.461 2.671 0 40 GFAB O=C(NCCNc1cnccn1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103141792 SCYSNNSCORIYAX-QJRTVWDNSA-N 379.302 2.739 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 23041093 XJDRPMWCCIGJTR-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 12558974 KEHWVZCFGANACM-UHFFFAOYSA-N 399.428 2.504 0 40 GFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)cc1F 24209731 URRIOUOTRKNKHU-UHFFFAOYSA-N 398.887 2.790 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 20014015 JAIFWGRAIHFJEX-MRXNPFEDSA-N 390.505 2.892 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@H](NC(C)=O)c1ccccc1 7810801 PRXCAVSFUOFAOX-IBGZPJMESA-N 392.459 2.539 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)Nc3ccc(-n4ccnc4)nc3)c(C)n2n1 24903086 JYCNVGROAABLKY-UHFFFAOYSA-N 375.436 2.807 0 40 GFAB C[C@H](COc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 55731628 QRFCUULIBBTTEL-MRXNPFEDSA-N 388.489 2.668 0 40 GFAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(c2ncccn2)CC1 12513602 USFPQSONNAPKHC-SFHVURJKSA-N 394.523 2.616 0 40 GFAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)CN1CCOCC1 12520409 KFYFJOPULOWEAZ-QZTJIDSGSA-N 381.476 2.869 0 40 GFAB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)c(F)c1 16208075 CENIYJFATYCZJY-MNOVXSKESA-N 387.338 2.764 0 40 GFAB Cc1ccccc1CN1CCCN(C(=O)[C@H](C)NC(=O)c2cccs2)CC1 27389354 HWQLYSWHAVTMAX-KRWDZBQOSA-N 385.533 2.909 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 21898184 XUUUKQLGOIMEIZ-CYBMUJFWSA-N 382.507 2.633 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 22227256 BVUYNHXZDFEPIZ-UHFFFAOYSA-N 394.443 2.722 0 40 GFAB CCCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2106797 USWXBQDIDZVWOE-QGZVFWFLSA-N 387.432 2.810 0 40 GFAB biogenic Cc1cc(C(=O)COc2ccc(-n3cnnn3)cc2)c(C)n1C[C@@H]1CCCO1 3376879 GHKPJKGTQCTNJV-SFHVURJKSA-N 381.436 2.521 0 40 GFAB CC(C)(C)NC(=O)CSc1nnc(SCC(=O)NC(C)(C)C)s1 3354275 SAIHQGQLEFHPJX-UHFFFAOYSA-N 376.573 2.552 0 40 GFAB CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c[nH]c2c1 36357813 MNRWYFOFRIKXGN-SJCJKPOMSA-N 387.436 2.685 0 40 GFAB CC[C@@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)Nc1ccc(F)cc1 12733194 KICJQKRTIBALQJ-CQSZACIVSA-N 391.472 2.679 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(C(F)(F)F)n2C)c(C)c1 3414032 KEKQBFTUNLEHTG-UHFFFAOYSA-N 387.387 2.891 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 12930844 PEPRILALKUIQMG-UHFFFAOYSA-N 399.466 2.604 0 40 GFAB Cc1ccc(C(=O)NCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 12909617 BWANZTNNZONDEH-UHFFFAOYSA-N 376.460 2.844 0 40 GFAB CN(Cc1ccc(Cl)cc1)Cn1nc([C@@H]2CCS(=O)(=O)C2)oc1=S 8146879 FIPGKQCHELMOPU-GFCCVEGCSA-N 387.914 2.851 0 40 GFAB CCCCN(C(=S)Nc1ccc(F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 13685195 WZENEEQIBOWOOQ-UHFFFAOYSA-N 393.488 2.671 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6083826 RBJWKRYCYYWDBM-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2n[nH]c3ccccc23)n1 39588709 YSLCOXISBOXIQN-UHFFFAOYSA-N 375.392 2.739 0 40 GFAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)NCc2ccco2)s1)C1CC1 8314199 KOBTYNUQYBOYDW-JTQLQIEISA-N 380.495 2.834 0 40 GFAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccccc2CC)c1=O 64987590 YSVCIKOUPYLEFL-UHFFFAOYSA-N 392.459 2.970 0 40 GFAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccccc1Cl 5428587 KLBSAFBDTLQIJL-SFHVURJKSA-N 397.862 2.735 0 40 GFAB COc1ccc(CNC(=O)[C@H](NC(C)=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 5614080 UJUBYKFRNQQIKC-FQEVSTJZSA-N 397.475 2.578 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc12 14722686 GERHNIFCNHIUDG-IYBDPMFKSA-N 382.416 2.605 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCN(c2ccccc2O)CC1 15378366 NZVMDCWGNXSOPW-UHFFFAOYSA-N 379.913 2.888 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccccc1 17323286 QXKCJBNHQQUMHV-KDOFPFPSSA-N 385.489 2.627 0 40 GFAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 7486131 WVDXZTFEAJZWKW-UHFFFAOYSA-N 375.450 2.963 0 40 GFAB CCCCn1c(COC(=O)c2ccoc2C)nc2cc(S(N)(=O)=O)ccc21 7674214 IRIOAZAVDOJHHG-UHFFFAOYSA-N 391.449 2.742 0 40 GFAB COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1S(N)(=O)=O 8753204 YXKHUGWXCKCFFT-UHFFFAOYSA-N 387.461 2.785 0 40 GFAB COC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)(C)C 78820497 DXXZOPQBLONRCP-WMZOPIPTSA-N 388.508 2.860 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 9748103 MCBVXHNLLFNJHK-ODXCJYRJSA-N 399.472 2.867 0 40 GFAB C[C@H]1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC12CCC2 95458072 VXCYFXLBGLFPIG-MGPUTAFESA-N 395.503 2.501 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)C2(c3cccc(C)c3)CCC2)cc1 26392248 KSZLLTWLSFOTTF-UHFFFAOYSA-N 380.444 2.958 0 40 GFAB C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cn(Cc2ccccc2)nn1 553983686 QCLQXJNLZYHELB-INIZCTEOSA-N 379.439 2.816 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1nc2ncccn2n1 36618801 XLYCSQSAOIMQHK-UHFFFAOYSA-N 381.827 2.892 0 40 GFAB COc1ccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 306142033 WNKDGLRNSUPCJZ-VXKWHMMOSA-N 388.471 2.973 0 40 GFAB COc1ccc(-c2nnc3n2C2(CCN(C(=O)CC(C)C)CC2)CN(C)C3)cc1 306133041 LZVYJJMQPDHLOP-UHFFFAOYSA-N 397.523 2.763 0 40 GFAB CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408582553 DDSCONLZGRFYPZ-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB O=C(c1ccccc1F)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306127911 GKLVKOCFKWBPQQ-PMACEKPBSA-N 390.418 2.744 0 40 GFAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc(C(=O)NC2CCCCC2)cc1 35314824 YWSGUKWZEGQUFC-UHFFFAOYSA-N 386.477 2.563 0 40 GFAB CN(C)Cc1ccc(N2CCN(C(=O)Nc3cccc4cc[nH]c34)CC2)nc1 548507716 VNFQVIFVWGOGNU-UHFFFAOYSA-N 378.480 2.979 0 40 GFAB Cc1nn(C)cc1CN1CCc2c(nc3cc(-c4ccoc4C)nn3c2O)C1 72339388 CUTCNKFEFLDFTD-UHFFFAOYSA-N 378.436 2.604 0 40 GFAB O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc2c(c1)OCO2 64948907 XYODWTVEGLMXCP-UHFFFAOYSA-N 379.401 2.737 0 40 GFAB Cn1nc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccccc2c1=O 40037606 XYMDTVGXGKGIFH-UHFFFAOYSA-N 375.428 2.669 0 40 GFAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccccc1 225161634 DTYROMOTJPXXJF-IBGZPJMESA-N 388.489 2.510 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 222821079 GCUSVRVLCJBIHQ-HNNXBMFYSA-N 398.459 2.520 0 40 GFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3C)n2)c1 41153658 XHULMIJYNCGZNN-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB CN1C(=O)CO[C@H](C(=O)NCCCc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 223281866 ZSIKDSIVMNOXSD-UXHICEINSA-N 388.414 2.612 0 40 GFAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 223460605 BYLQPDVSPDAOHZ-SFHVURJKSA-N 384.476 2.670 0 40 GFAB O=S(=O)(N[C@H]1CCC12CCN(CC1CCOCC1)CC2)c1ccccc1 96051671 ZYOULQABISIXEM-IBGZPJMESA-N 378.538 2.636 0 40 GFAB O=C(OCC(=O)c1ccc[nH]1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97654840 XSNWGQHLPGTAKP-SFQUDFHCSA-N 389.371 2.685 0 40 GFAB Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(NC2CC2)nc1 605666281 DGRWRQNOCZODOH-UHFFFAOYSA-N 380.448 2.689 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc2n(n1)CCCC2 649553631 XVBCJNGEKPXZKC-UHFFFAOYSA-N 388.537 2.813 0 40 GFAB Cc1cn2cc(C(=O)N(C)CCO)cc(N[C]3CCOc4cccc(C)c43)c2n1 1560410174 BUUWXMPJSPZQDT-UHFFFAOYSA-N 393.467 2.790 0 40 GFAB CC(C)CC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 5625012 AUAASWPMBBBSDX-INIZCTEOSA-N 394.479 2.727 0 40 GFAB CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 5633355 AKFSMLYJKZHSPM-WKXIVMOISA-N 375.424 2.988 0 40 GFAB O=C1NC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)Oc2ccccc21 12117940 ZOTHSXSMZSYRQC-UHFFFAOYSA-N 390.443 2.568 0 40 GFAB Cc1nc2sc3c(c2c2nn(CC(=O)NC4CCCC4)c(=O)n12)CC[C@@H](C)C3 12132331 BWGNCAXARNBTAQ-LLVKDONJSA-N 399.520 2.598 0 40 GFAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)CCn1ncc2ccccc21 12145374 PCWMVEMGNCJVTP-SFHVURJKSA-N 389.459 2.731 0 40 GFAB CCOC(=O)[C@]1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCCN(C(C)=O)C1 12157273 PVULUUZFHBISCV-XLIONFOSSA-N 376.428 2.901 0 40 GFAB COc1ccc(C2(NC(=O)c3cnc(N4CCOCC4)nc3)CCCCC2)cc1 12197811 MMFKYBONFZCULE-UHFFFAOYSA-N 396.491 2.911 0 40 GFAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 17326662 JHUYJCAUGLZJAC-STQMWFEESA-N 376.482 2.642 0 40 GFAB O=C(OCc1nnnn1-c1ccccc1)c1ccc(Br)cc1F 18612927 RJBBJZLYJWOGDM-UHFFFAOYSA-N 377.173 2.921 0 40 GFAB CCCc1cc(C(=O)N2CCN(C)CCCN(C(C)=O)c3ccccc3C2)no1 643554037 JFLLMBOWEAVHAD-UHFFFAOYSA-N 398.507 2.958 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(-c4cnc(C)cn4)nc3C2)cc1OC 19239051 TYRNFAKEFXJOLR-UHFFFAOYSA-N 393.447 2.523 0 40 GFAB COCCC(=O)N1CCNC(=O)[C@@H](Cc2cccc(-c3ccccc3C)c2)C1 19237458 MCYQVKWSIXYAFL-FQEVSTJZSA-N 380.488 2.816 0 40 GFAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 19692108 AMXPBLFQGMMEMO-UHFFFAOYSA-N 376.464 2.788 0 40 GFAB Cn1ccc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)n1 575615241 BOYHDOIYVLOOKT-CABCVRRESA-N 386.883 2.833 0 40 GFAB Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N(C)C)nc2)c1 36397167 HHTJJROSFDSUNS-UHFFFAOYSA-N 396.520 2.710 0 40 GFAB CCN1C[C@@H](c2cc(N)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 1848355135 PIYAOJQQUYYIAF-NSHDSACASA-N 398.854 2.553 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnc(OC2CCOCC2)c(Cl)c1 238839052 HKLMVVCYEGABIA-UHFFFAOYSA-N 388.811 2.715 0 40 GFAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3)C2)nc1 238832672 GHEJNYADEYCVDE-AWEZNQCLSA-N 397.294 2.995 0 40 GFAB CCn1cc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037989111 WAHIWKYLROQDCV-NRFANRHFSA-N 386.471 2.830 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1Cl 1565522420 HYAOZRFAZJCQJU-CYBMUJFWSA-N 390.958 2.551 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1C 5221941 MGKNEDKORFVUES-MRXNPFEDSA-N 388.489 2.704 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)no1 5373528 LLIQMCDEIMDLAD-UHFFFAOYSA-N 375.406 2.649 0 40 GFAB COc1ccc(CCNC(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1 22679249 OSCZAIYGTJNYNK-LJQANCHMSA-N 389.521 2.672 0 40 GFAB CCOc1ccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2C)cc1 100859734 JJWZRGIYIAGBIW-HNENSFHCSA-N 390.486 2.783 0 40 GFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc4nsnc4c3)cc21 38677425 UBICDRQZUFQANA-UHFFFAOYSA-N 388.474 2.656 0 40 GFAB CC(=O)N1CCC(N2C[C@H]3C[C@H](O)[C@@H](n4c(C)nc5ccccc54)C[C@H]3C2)CC1 2332242641 FCSPAIMGKYBMTI-WKZKVMAPSA-N 396.535 2.599 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cnc(-c2ccccc2)nc1 40017148 DXYIXIODQPKSPF-UHFFFAOYSA-N 379.445 2.908 0 40 GFAB CCn1c(-c2ccc(C(=O)OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 40161850 GGTCXKGKGQXVHY-UHFFFAOYSA-N 387.461 2.760 0 40 GFAB O=C(Nc1ccc(F)cc1)c1nnc(CSc2nnnn2C2CC2)s1 30796351 CTBSDYZQUFXKLG-UHFFFAOYSA-N 377.430 2.543 0 40 GFAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2C1 45874325 JOGVCXVHRBRXEA-CYBMUJFWSA-N 389.521 2.713 0 40 GFAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1nc(C2CC2)cs1 29685575 BXOZJAURZWHJPG-HXUWFJFHSA-N 396.472 2.958 0 40 GFAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC(=O)NC1CCCCC1 3605333 RCFVSSZYBHLTPQ-UHFFFAOYSA-N 398.246 2.748 0 40 GFAB O=C(NCc1ccccc1Cn1cccn1)N1CCN(c2ccccc2)CC1 32863249 KFXDAYJOUJUZNB-UHFFFAOYSA-N 375.476 2.963 0 40 GFAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 107033290 KXKJKAKNTOSTQV-UHFFFAOYSA-N 379.434 2.610 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc(-c3ccccc3)ns1)C2=O 42090834 DGJUGDMNKSRUEZ-HXPMCKFVSA-N 399.476 2.644 0 40 GFAB COc1ccc(OC)c(CN2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)c1 22790232 VMOBTZQWPWKQDR-SFHVURJKSA-N 397.519 2.873 0 40 GFAB CCc1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N(CC)CC)cn1 23762488 WLPZZIBJOVEBLV-UHFFFAOYSA-N 390.509 2.725 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1 47647773 GEJLTCWBPSNMTH-UHFFFAOYSA-N 380.448 2.538 0 40 GFAB Cc1ccc(CNC(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)cc1 24687524 HXVWPGQTEJNISV-UHFFFAOYSA-N 375.494 2.681 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCCc2c(NS(C)(=O)=O)cccc21 52992722 ZGNNUFDDFCPVOG-GOEBONIOSA-N 379.526 2.506 0 40 GFAB COc1cccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc12 1456703 ORJVRTVOMMUJEO-UHFFFAOYSA-N 382.391 2.903 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1 25248759 JAUVXXQQNKBGCX-UHFFFAOYSA-N 375.324 2.590 0 40 GFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 100739042 VGLVEJVBSYFSEE-APIJFGDWSA-N 379.455 2.943 0 40 GFAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCN(Cc2ccccc2)CC1 56851689 ODPKVGCVGGVAMJ-GOSISDBHSA-N 395.503 2.993 0 40 GFAB O=C(Cc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1)NCc1ccco1 26163737 JEKMDYOXRJCZOR-UHFFFAOYSA-N 384.461 2.826 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)COc2ccc(Cl)cc2C)cc1 3235552 ZBHIVRSQXUOSSF-UHFFFAOYSA-N 391.851 2.938 0 40 GFAB CCOC(=O)[C@H](C)NC(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197474 RLURAECSUNYNCQ-ZDUSSCGKSA-N 387.440 2.542 0 40 GFAB CCOCCCNC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 12622178 YEFOEXSWMGMROF-UHFFFAOYSA-N 384.889 2.769 0 40 GFAB Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 12629874 BALZSKOWVPRCCB-IBGZPJMESA-N 397.504 2.801 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1 2376456 OHVNGWNKHKUYRY-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 2368690 OZMMNRQIQOHXOP-UHFFFAOYSA-N 391.403 2.677 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(F)c(N2CCCC2=O)c1 48367463 RAEZPSQUAXXASE-UHFFFAOYSA-N 382.457 2.639 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 12874310 CSSIEOYNLZGLMX-UHFFFAOYSA-N 397.818 2.984 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 12813015 LKZWJBOVOOOWHC-UHFFFAOYSA-N 387.461 2.610 0 40 GFAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)nc2n1 3449786 IAWUWMCEDZTERD-UHFFFAOYSA-N 393.375 2.793 0 40 GFAB Cc1ccc2nc(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)sc2c1 16751070 AMSQYYOUGHXCOI-UHFFFAOYSA-N 382.854 2.704 0 40 GFAB O=C(OCC(=O)N1CCOCC1)c1ccccc1-c1nc2ccccc2s1 3461324 PUJFUMKQWMYJKS-UHFFFAOYSA-N 382.441 2.979 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1S(=O)(=O)NC(C)C 12912898 AZKTTXDUHTWJFS-IJEWVQPXSA-N 382.526 2.936 0 40 GFAB C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1F 12906338 SHVKWNYFOCMOBZ-LBPRGKRZSA-N 380.416 2.996 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 12908819 LCMOYXKMPLHSFM-UHFFFAOYSA-N 399.834 2.528 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1 13534937 WLIUZWVUOPRDGB-AVGNSLFASA-N 391.443 2.920 0 40 GFAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3C[C@@H](C)O[C@H](C)C3)n2)n1 13626023 NEDLYPZQDHHYOQ-VXGBXAGGSA-N 380.290 2.964 0 40 GFAB Cc1c(CCC(=O)Nc2nnn[nH]2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 13629224 WKTCLYRZYBSZPX-UHFFFAOYSA-N 393.403 2.811 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NCc1ccccc1C)O2 64988546 ZCRZXCSJRKOQRB-LJQANCHMSA-N 388.489 2.537 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)N(C)C(=O)CO4)ccc12 61717549 HKWJZCBDNOUMKR-UHFFFAOYSA-N 379.368 2.718 0 40 GFAB biogenic C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccc(C(N)=O)cc1 6129283 SWILVPLYRMKLIU-LLVKDONJSA-N 385.424 2.625 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 39980505 CBSXMVMPOUNODY-INIZCTEOSA-N 390.480 2.932 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cs1 306133077 MBDMGSQLDIBZHB-CVEARBPZSA-N 382.445 2.568 0 40 GFAB COc1cc(CNCCSc2nnnn2C)ccc1OCc1cccs1 4488462 WLUMVKRIUCHFMO-UHFFFAOYSA-N 391.522 2.741 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 113968253 OARZKDDKAXNXOP-MRXNPFEDSA-N 394.468 2.695 0 40 GFAB CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O 6624023 HHFLZRRJEFOTLR-OAHLLOKOSA-N 387.432 2.727 0 40 GFAB biogenic Nc1nc(SCC(=O)c2ccc3c(c2)OCCO3)nc(-c2ccccc2)n1 6604069 YHHITTZVGAHUNY-UHFFFAOYSA-N 380.429 2.867 0 40 GFAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)N1CCOCC1 4735505 FPYQJRPGLYVSBO-OAQYLSRUSA-N 375.428 2.572 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)NCc2ccc(F)cc2)cc1 9154475 DQNRHYMGGORJSO-UHFFFAOYSA-N 390.480 2.543 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 18260832 JGHPSVOBLHKTSI-UHFFFAOYSA-N 399.447 2.921 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(F)c1 4896490 NEVZNVGEXSATLN-UHFFFAOYSA-N 385.439 2.751 0 40 GFAB Cc1ccccc1-c1nc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 67105022 NTWQNLQWXFBPIY-KRWDZBQOSA-N 385.489 2.582 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N(C)c4ccccc4)ncn3n2)cc1 67208827 SZJXRNIBIZELLT-UHFFFAOYSA-N 387.443 2.783 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1N1CCOCC1)CS2 15324439 KNBTVKAUDPFGCT-QAPCUYQASA-N 395.912 2.569 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H](c2ccccc2)O1 67602931 ANLLTEQQGDXNFX-KXBFYZLASA-N 388.489 2.762 0 40 GFAB Cc1[nH]c2ccc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)cc2c1C 19317845 RWTXBPUJZXOSRB-UHFFFAOYSA-N 388.445 2.668 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)N3CCc4ccccc43)c2O1 7777316 KTWZAADXZMIHQM-UHFFFAOYSA-N 381.428 2.911 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9155754 ZPWMHISTXKHWPQ-PBHICJAKSA-N 387.436 2.519 0 40 GFAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N([C@H](C)C(=O)NCC(F)(F)F)C1=O 9862657 YHVOAADAWYKKEA-RFAUZJTJSA-N 391.777 2.564 0 40 GFAB Cn1ccnc1[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1cccc(F)c1 24016767 JWFKSRFXXDFLSF-PKOBYXMFSA-N 395.438 2.565 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCC1(N2CCCCC2)CCCCC1 9835233 VCJSTPLGXTWYLD-UHFFFAOYSA-N 382.508 2.702 0 40 GFAB COc1ccc(CC(=O)Nc2cc(=O)[nH]c3nc(-c4ccccc4C)nn23)cc1 9318484 DMERZGWDFLLKAH-UHFFFAOYSA-N 389.415 2.583 0 40 GFAB C[C@H]1CN(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C[C@H](C)O1 22612618 DOJPEFRCUZPSKF-IRXDYDNUSA-N 394.475 2.971 0 40 GFAB COCCn1cc(CCC(=O)Nc2nc(C(F)(F)F)n[nH]2)c2ccccc21 79486727 GRLYGHQKNPSYBJ-UHFFFAOYSA-N 381.358 2.996 0 40 GFAB COc1ccc(C(C)=O)cc1C[S@@](=O)CC(=O)NCCc1ccc(F)cc1 89292056 AJXAHJUXZWAVES-MHZLTWQESA-N 391.464 2.645 0 40 GFAB CCN(C)C(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 306126354 DTJLQDVBTHHBOS-UHFFFAOYSA-N 376.420 2.683 0 40 GFAB CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)ccn1 500853926 XPVIJKJBFTYGGA-CGTJXYLNSA-N 388.512 2.657 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408659420 SINBOCQGHUNLHL-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC 38755693 MKNHOAYOAWLNNN-CYBMUJFWSA-N 392.477 2.875 0 40 GFAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccccc1 217424327 YNDMXEDTQZCTFA-UHFFFAOYSA-N 376.478 2.974 0 40 GFAB Cn1cc(C(=O)N2CCC[C@H]2c2nc(N)ncc2-c2cccc(F)c2)ccc1=O 72354907 OPWKOFINEYEENN-KRWDZBQOSA-N 393.422 2.541 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccncc1 32998096 RPPAOANGYQLNJS-MRXNPFEDSA-N 377.897 2.903 0 40 GFAB COc1cc2c(cc1OC)[C@H](CCc1c(C)noc1C)N(S(C)(=O)=O)CC2 72342723 HEJJVOIRWFSRFL-KRWDZBQOSA-N 394.493 2.800 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 72345962 JXAUFCXKDBZSSB-GOSISDBHSA-N 388.475 2.599 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 223013817 YPGQKUJKWRXMHR-FQEVSTJZSA-N 384.476 2.936 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222421994 XRTPVOBSFBTYKY-OAHLLOKOSA-N 376.478 2.588 0 40 GFAB Cc1ccc(SCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222407759 DTGQTWPZEXQZTN-UHFFFAOYSA-N 378.519 2.913 0 40 GFAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C)c2C)c1 224370653 FGPINYBGIXXCQI-UHFFFAOYSA-N 379.434 2.908 0 40 GFAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224800580 JLVZFVMVWSOGFG-UHFFFAOYSA-N 381.450 2.936 0 40 GFAB CCc1nnc(NC(=O)c2nnn(Cc3ccccc3Cl)c2OC)s1 96183541 GSCVJMPJEDPCGL-UHFFFAOYSA-N 378.845 2.655 0 40 GFAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1 95477171 RAYFKMXRMOAQRG-QFIPXVFZSA-N 397.519 2.650 0 40 GFAB O=C(c1ccc2ccccc2n1)N1CCCn2nnc(CN3CCCCC3)c2C1 96259586 GKMLVXQHRLMAMU-UHFFFAOYSA-N 390.491 2.858 0 40 GFAB O=C(c1ccc(F)cc1)N1CC2(C1)OCC[C@H]2CCOCC1CCOCC1 247875858 NWCQBBFLULOVBS-GOSISDBHSA-N 377.456 2.890 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)C2)c1F 244983767 IQNODCJXMFVCEG-AWEZNQCLSA-N 384.411 2.962 0 40 GFAB Cc1cc(C)nc(N2CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)n1 257240561 HUBYJHAZLDIZSF-FQEVSTJZSA-N 389.459 2.832 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](Cc3cnc(-c4c(C)noc4C)cn3)C2)cn1 257222217 DSKRJHXJJGYJEE-OAHLLOKOSA-N 378.436 2.552 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2ncc[nH]2)C1 257260248 LBZMZWNNSIHKHL-HNNXBMFYSA-N 381.484 2.917 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@](C)(c2ncc(Cc3cccc(F)c3)o2)C1 257263607 LQSMCUPIVGBJCR-SFHVURJKSA-N 381.473 2.564 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)s2)cc1 260795834 LUXPZZFHQHZNBM-FPMFFAJLSA-N 392.506 2.566 0 40 GFAB CC(C)N1CCC(N2C(=O)O[C@H]3CN(c4ccnc(C(C)(C)C)n4)C[C@H]32)CC1 1615592170 REFOSGDCSISWHX-SJORKVTESA-N 387.528 2.656 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1CSCN1C(=O)c1ccccc1 55315205 XSNVUSQTBJJPNF-QAPCUYQASA-N 382.485 2.569 0 40 GFAB COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)cc1 1471627 FWNBZZFCIXXZPJ-HNNXBMFYSA-N 379.368 2.669 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 5617074 MXWSGHOAYJIKKW-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H](C)C1 13041783 NBEAZLYVFAXYRK-SJORKVTESA-N 393.553 2.920 0 40 GFAB CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 19496196 OZOZBCWDVAWQBC-OXJNMPFZSA-N 389.515 2.948 0 40 GFAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 19709293 VPOKULJJXWFTQU-MRXNPFEDSA-N 379.464 2.532 0 40 GFAB COc1cccc([C@@H]2CN(C(=O)c3ccccn3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712832 BCACMINNXRENGB-DSKINZAPSA-N 379.460 2.757 0 40 GFAB COC(=O)c1nc(OC)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 205008784 VCUURJXTJQLJHG-UHFFFAOYSA-N 383.401 2.948 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 12187602 FGCDEQVROSDCTM-CYBMUJFWSA-N 395.419 2.564 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(C)ncc2-c2cc(C)no2)cc1 12337720 GVLDPWZBCQEQFR-UHFFFAOYSA-N 388.449 2.578 0 40 GFAB C/C=C/Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)cn23)n(C)c1=O 1889040385 CMDYZNAXLOIDEC-SNAWJCMRSA-N 383.839 2.677 0 40 GFAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1nc2ccccc2s1 238898127 RFULCMAWEVNRRJ-CQSZACIVSA-N 381.413 2.746 0 40 GFAB COc1ccc(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)cc1Cl 4569987 RGXBPGRTAWIFOU-UHFFFAOYSA-N 388.782 2.683 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c(OC)c1 5099535 UOBGVYQFGHYUOH-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB COc1ccccc1Cn1c(=O)c2cccnc2n(Cc2ccccc2C)c1=O 9831022 MTABPQSPMJLOCH-UHFFFAOYSA-N 387.439 2.972 0 40 GFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(c2nc(-c3ccncc3)no2)C1 49032142 NYUCWWLADMLLEF-UHFFFAOYSA-N 394.815 2.712 0 40 GFAB O=[P@@](c1ccccc1)([C@@H](c1ccco1)N1CCOCC1)N1CCOCC1 30836237 ATLKJXCPAIJKLY-SIBVEZHUSA-N 376.393 2.546 0 40 GFAB COc1cccc2c([C@H](C(=O)O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12 20723956 OYZVQBAQYYVHLR-QGZVFWFLSA-N 389.452 2.855 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 29603480 AWFVMBDKIZBUQS-CYBMUJFWSA-N 381.432 2.600 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cccc(F)c1 3541382 AKPNNKAEJZHUJX-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1 4909425 AFAIINPWCJNJJC-HNAYVOBHSA-N 375.488 2.715 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 32850766 CFFVKEZVVNCLMP-LLVKDONJSA-N 398.868 2.710 0 40 GFAB CCN(CC)CCC[C@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 6586668 ICDBILCBWYLLDS-INIZCTEOSA-N 397.523 2.735 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(C(=O)N2CCCC2)c1 32809381 MWDWAWZUWIBFED-UHFFFAOYSA-N 391.427 2.547 0 40 GFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)ccc1O 6960012 LRKQVXBUTWZIKH-NVNXTCNLSA-N 378.450 2.599 0 40 GFAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 8476090 ZQMNBTDRIKPVCU-UHFFFAOYSA-N 376.478 2.980 0 40 GFAB CCOc1cc2c(cc1NC(=O)Cn1c(=O)n(C)c3ccccc31)O[C@@H](C)C2 21899012 LBJXICDXXFNIJF-ZDUSSCGKSA-N 381.432 2.701 0 40 GFAB Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3SCC(=O)O)cc1 103316256 QXBKQLWOPCQQBM-LJQANCHMSA-N 380.429 2.980 0 40 GFAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 2806745 DKMIIGDPZFVTKS-INIZCTEOSA-N 378.425 2.636 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)c1ccc(Cl)s1 21476315 QAPSENLIGRWOAQ-UHFFFAOYSA-N 378.841 2.815 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 24726500 FMKFEFOTFKQOQB-WBVHZDCISA-N 375.469 2.634 0 40 GFAB C[C@@H](C(=O)NCCSC(C)(C)C)N(c1ccccc1F)S(C)(=O)=O 113958027 UKROAISXRFWNME-LBPRGKRZSA-N 376.519 2.628 0 40 GFAB COc1ccccc1-c1noc(Cn2c(S(C)(=O)=O)nc3ccccc32)n1 12507037 VLPKMLIJNQJGOZ-UHFFFAOYSA-N 384.417 2.547 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 12525516 PMQWXYWVPICIAK-QGZVFWFLSA-N 390.509 2.515 0 40 GFAB COc1cc2c(cc1OC)CN(CN1C(=O)N[C@@]3(CCCC[C@@H]3C)C1=O)CC2 25784669 ZXXVTBLHDWIJHN-LHSJRXKWSA-N 387.480 2.520 0 40 GFAB CCOc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1 22393597 MWBAXSLYUYHOIU-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1C 26538708 ZDRNHVZUTOSNRQ-UHFFFAOYSA-N 398.459 2.699 0 40 GFAB COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCCC3)n2)cc1OC 57487178 CAEWZVWWJLUAPK-UHFFFAOYSA-N 382.420 2.845 0 40 GFAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 57279486 MWMUWRRVFDTSBZ-UHFFFAOYSA-N 387.465 2.786 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426941 ZSELDHLCNRFQSM-OAHLLOKOSA-N 399.516 2.805 0 40 GFAB CCN1C(=O)c2cccc3c(S(=O)(=O)NCCCCCC(=O)O)ccc1c23 1926194 CAUMGJXDPPNDPK-UHFFFAOYSA-N 390.461 2.743 0 40 GFAB COC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1C 10314485 ZTCDGNPVUMDALC-UHFFFAOYSA-N 376.434 2.714 0 40 GFAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 119910595 OBOKAMDNZPWDRN-NSHDSACASA-N 377.794 2.898 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cn3ccc(C)cc3n2)cc1 58140622 VBWYYHYWJJQYKK-SFHVURJKSA-N 378.432 2.895 0 40 GFAB Cc1cccc(CN2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 306144813 ZPDCSQJOTVBFEN-QFIPXVFZSA-N 399.502 2.983 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 12623351 ACBYALXTESEEBS-JCVNQNCUSA-N 382.416 2.843 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1 3394462 RSXOGWJWGZJQPV-UHFFFAOYSA-N 392.358 2.785 0 40 GFAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCSCC1 2315203 OUHKRVCDQBRHCR-JTQLQIEISA-N 381.885 2.984 0 40 GFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1ccccc1Br 12751377 GPYIPGAKEBAZSL-UHFFFAOYSA-N 394.313 2.722 0 40 GFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccn1 11367756 YXWKDQKJAQMERZ-NWNNTGRJSA-N 399.516 2.972 0 40 GFAB CCSc1nnc(SCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)s1 8506059 QLNYCOYBCFJDHG-LBPRGKRZSA-N 397.547 2.643 0 40 GFAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 3600806 HCTNAAMWBOXAHD-JOCHJYFZSA-N 393.443 2.807 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cn4cc(Cl)ccc4n3)C2=O)cc1 13058281 KBONOESAQQWJBI-LJQANCHMSA-N 384.823 2.964 0 40 GFAB COc1cccc(NC(=O)CCNC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1 13684909 DWLJVOVGYJSZOH-UHFFFAOYSA-N 397.431 2.952 0 40 GFAB CN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1ccccc1 8772292 JJYJXMVTWCTLDY-UHFFFAOYSA-N 397.294 2.976 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccsc2)N2CCOCC2)cc1OC 39978481 ZFFLKOKTIFBNSE-MRXNPFEDSA-N 376.478 2.569 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 5201138 NNVQENRFJCNKDC-ZDUSSCGKSA-N 376.821 2.678 0 40 GFAB CCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 4571701 OIKYUGQANUNWGF-HXUWFJFHSA-N 397.475 2.659 0 40 GFAB Cc1nc(COc2ccccc2C(=O)N2CCN(C(=O)C3CC3)CC2)cs1 14237825 YRHIIYQQYONBPU-UHFFFAOYSA-N 385.489 2.725 0 40 GFAB CC[C@H](C)N(C(=O)CSc1cc(C)nc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 8883793 CUUMYUPPNDUQRV-LSDHHAIUSA-N 399.582 2.815 0 40 GFAB O=C(N1CCCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4666965 CABCZNVDJVJLRN-UHFFFAOYSA-N 385.917 2.642 0 40 GFAB COCC(=O)OCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 4806397 CEXPWARZIUGQAW-LJQANCHMSA-N 382.416 2.563 0 40 GFAB COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(=O)n(C)n2)cc1OC 6881643 SPHDJJIXPRDFGE-UHFFFAOYSA-N 399.472 2.702 0 40 GFAB O=C(COC(=O)c1cccc(Br)c1)NCc1ccc2c(c1)OCO2 4966386 KHSNCJQHFCQRIB-UHFFFAOYSA-N 392.205 2.651 0 40 GFAB COc1ccc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 7072316 QLGXZVJZUIMWJA-HNNXBMFYSA-N 383.535 2.746 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(N2CCCC2=O)cc1 7640297 CFLUESPEWHSJPX-UHFFFAOYSA-N 381.432 2.581 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCO2 7926516 BDKLKNOWAGVHHQ-MRXNPFEDSA-N 397.475 2.607 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2NC1=O 8016434 YSYUCLWDXIWDKT-CYBMUJFWSA-N 379.416 2.781 0 40 GFAB COc1ccc(CN2CC[C@@H](NC(=O)CCOc3ccc(C)cc3C)C2=O)cc1 78813756 NZPFWSSXPMTYLL-HXUWFJFHSA-N 396.487 2.998 0 40 GFAB O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccccc1Br 23385679 DMHWIXLBGSSPTK-LLVKDONJSA-N 384.251 2.567 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 9883473 BZCOBKMHFZGNHS-VFNWGFHPSA-N 384.480 2.726 0 40 GFAB CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[S@@]1=O 79092537 GDRRVEBSHDDAEL-JOCHJYFZSA-N 389.848 2.890 0 40 GFAB Cn1c(=O)oc2cc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)ccc21 84311215 PGIQOEFPHAFOCX-UHFFFAOYSA-N 385.464 2.935 0 40 GFAB CSc1ccc(C)c(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 95459287 LKZWLPQEAFMSBU-UHFFFAOYSA-N 385.489 2.894 0 40 GFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCC(N2CCCCC2=O)CC1 89775791 SMCBDZBLJCEWMQ-SFHVURJKSA-N 391.537 2.506 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2ccc(C)cc2)c1 24360591 PDAVRIDSWLGKAR-UHFFFAOYSA-N 379.503 2.993 0 40 GFAB COC(=O)c1sccc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 21589360 PLVXWHOMHJNRQP-UHFFFAOYSA-N 396.490 2.654 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 22432244 PQFXJBKVMPESMR-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 408589436 FPZGNNCJZBNGMS-UHFFFAOYSA-N 390.505 2.868 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(C(F)F)cc2)nc1N 408541769 FTITUZKBVGQICS-UHFFFAOYSA-N 382.392 2.904 0 40 GFAB COc1cccc2c1N(S(=O)(=O)c1ccc(CCC(=O)O)cc1)CCC2 31533915 DHNOJSYBTQDOGK-UHFFFAOYSA-N 375.446 2.854 0 40 GFAB COc1ccc(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 30850213 DHDOTUQSXHHSMM-UHFFFAOYSA-N 392.477 2.572 0 40 GFAB O=C(Cn1ccc2ccccc21)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 56903499 LHKUNRNTBZFWBO-UHFFFAOYSA-N 398.470 2.842 0 40 GFAB NC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1ccc(N)nc1 72370291 BFQGVMKXSJAEJM-ZDUSSCGKSA-N 380.473 2.825 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)ncc2C1 72390865 DIUFQJQBJYZHSC-IBGZPJMESA-N 392.503 2.720 0 40 GFAB COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1S(=O)(=O)N(C)C 42631290 LXMIBVUSEYOTNU-ZTQAJYAQSA-N 394.537 2.890 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)nc1 40266511 HFFDJDOTCKOTOZ-UHFFFAOYSA-N 376.338 2.879 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCOC2CCCC2)cc1NC(C)=O 224746214 YDYRVWDJTZZIMJ-UHFFFAOYSA-N 386.539 2.995 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96076511 NMSDDDDIMFNKNT-JOCHJYFZSA-N 391.475 2.717 0 40 GFAB COc1ccnc(N2CCN(C(=O)[C@H](C)Cc3cncc4ccccc34)CC2)n1 585082854 YQQDAXIPTMFZKR-MRXNPFEDSA-N 391.475 2.561 0 40 GFAB CC1(C)C[S@@](=O)CCN1Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 585081612 WDIZOUFEVFCWCB-NDEPHWFRSA-N 399.491 2.868 0 40 GFAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCC1=O)[C@H]2Cc1ccccc1 257222394 DTCUBSLIUFEQGU-ROLQDKDTSA-N 395.547 2.694 0 40 GFAB O=C(c1cnccn1)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 257230970 GERNLEGKTVSDIV-HXUWFJFHSA-N 378.407 2.815 0 40 GFAB CCn1c(=O)oc2cc(NC(=O)CN3CCC4(CC3)COC(C)(C)C4)ccc21 257205086 AXOWPKSZMNLWDX-UHFFFAOYSA-N 387.480 2.834 0 40 GFAB CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](C)Oc2cnc3ccccc3c2)C1 592723649 ZLAGDJYRUDXIAB-SGTLLEGYSA-N 395.381 2.529 0 40 GFAB Cc1c(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)cnn1-c1ccc(F)cc1 629263743 CXZXHDLOJXYYIH-IFXJQAMLSA-N 383.427 2.941 0 40 GFAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@H](Cc1ccccc1)c1ncco1 654506536 VDFMEUQRAUURFI-QZTJIDSGSA-N 377.448 2.932 0 40 GFAB CC[C@@](CNC(=O)CCS(=O)(=O)c1ccccc1)(OC)c1ccccc1 96391757 UEXILJWVFIYPLU-FQEVSTJZSA-N 375.490 2.919 0 40 GFAB CN(C(=O)C[C@@H](n1cccn1)C(F)(F)F)c1ncc(Br)cn1 585114298 AOABSNFYLIADEL-SECBINFHSA-N 378.152 2.592 0 40 GFAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585290896 XJNWPXCPAHMUAW-DIAHRDDTSA-N 383.492 2.870 0 40 GFAB C[C@H]1CCCC[C@@H]1OCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 46056900 IPCLWZQNRUZLNQ-PXNSSMCTSA-N 377.504 2.977 0 40 GFAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 56407352 XNASMMWDESARFU-FQEVSTJZSA-N 387.524 2.521 0 40 GFAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 5537761 RBTVFCNWGBOCED-UHFFFAOYSA-N 383.360 2.549 0 40 GFAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1 11566418 IFXRMXUFWLFBEW-UHFFFAOYSA-N 388.489 2.586 0 40 GFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)=O)C1 12157278 HFKKQYPOBUYVBE-MGPUTAFESA-N 376.428 2.901 0 40 GFAB COc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccn(C)n4)CC3)nc12 12444408 MIKKJDWTYHSCGH-UHFFFAOYSA-N 391.884 2.654 0 40 GFAB O=C(C[S@@](=O)CC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1 12472101 YIWAHLACMVESBB-WYOUAVPQSA-N 392.496 2.598 0 40 GFAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711203 DMQWQCMQVCCARH-GOSISDBHSA-N 376.478 2.556 0 40 GFAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 16400700 LIDSEOMPQVSDKR-INIZCTEOSA-N 381.310 2.704 0 40 GFAB COc1c(C)cccc1C(=O)N1CCc2nc([C@H]3CCCN3C(C)=O)ncc2C1 19235854 CUNFKPPZURSTLT-LJQANCHMSA-N 394.475 2.676 0 40 GFAB Cn1nccc1[C@H](NC(=O)COc1ccc2nsnc2c1)c1ccccc1 19289214 UKXMWOIQYKWIJI-LJQANCHMSA-N 379.445 2.709 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@H]2CC[C@@H]3N2Cc2ccncc2)cc1 19573488 WUQMYQVPVUHAJM-XLIONFOSSA-N 394.500 2.933 0 40 GFAB Cc1nc(N)c2ccc([C@H]3CCCN(CC(=O)N(C)C4CCCCC4)C3)nc2n1 19743317 IAJVUPMYCGDHCO-INIZCTEOSA-N 396.539 2.886 0 40 GFAB Cc1cccc2c1nc1s/c(=C\c3cn(CC(=O)O)c4ccccc34)c(=O)n12 5533535 RUTILLMJZKOJOR-MFOYZWKCSA-N 389.436 2.805 0 40 GFAB C[C@H]1CN(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O 3919778 ORJUEHXQOBCAKN-INIZCTEOSA-N 385.899 2.750 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2cc(F)cc(F)c2)n1 12366387 QVJFVBTVBDTQGB-PMSBKCLSSA-N 389.446 2.778 0 40 GFAB CN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CN(c2cc3c(nn2)CCC3)C1 1888868654 YPXJCTHIFHRBFN-UHFFFAOYSA-N 390.409 2.874 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2ccc(-c3ccnn3C)cc2)c(C)c1 1889299865 YWYLRAAKGKGRET-UHFFFAOYSA-N 385.489 2.925 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 4479618 CBRXSFPKHGFDTB-CYBMUJFWSA-N 385.420 2.639 0 40 GFAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 10233719 GDPUQNLUKVXSSH-AWEZNQCLSA-N 393.491 2.980 0 40 GFAB Cc1cccc(CS(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c1 12068967 KGSLXCASRCDQJY-UHFFFAOYSA-N 387.549 2.627 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977262 HXJQRCVGJFQIME-MRXNPFEDSA-N 386.498 2.943 0 40 GFAB CCc1nc(CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cs1 25340172 GLNAPVANYQWFOR-UHFFFAOYSA-N 375.494 2.681 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)ccc21 40039831 WGIMCXKMXSXPRS-VXGBXAGGSA-N 383.370 2.561 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCN(Cc2ccco2)CC1 40104789 JFIBFWMTEILBCM-UHFFFAOYSA-N 382.464 2.865 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116745 WTAYWIKLUMNMJG-PIGZYNQJSA-N 385.386 2.633 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N(Cc3cccnc3)C3CC3)CC2=O)cc1OC 30615651 HMKCAODYCBETKV-INIZCTEOSA-N 395.459 2.643 0 40 GFAB O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 30674691 MABMJBUVQOQDKF-KOLCDFICSA-N 384.276 2.659 0 40 GFAB COc1ccc(C(=O)Cn2nc(Br)nc2Br)cc1 8296494 UHJOIHPQEYJWHN-UHFFFAOYSA-N 375.020 2.695 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccc3c(c2)OCCCO3)c1 8294478 JMDCQQLBCAWPOX-CSKARUKUSA-N 396.443 2.967 0 40 GFAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1[C@H]1CCS(=O)(=O)C1 8245399 CALOYDSHEOIELP-ZDUSSCGKSA-N 395.506 2.700 0 40 GFAB CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(N)=O)c(Cl)cc1O 814189 BTQVODKWAGBXLQ-KRWDZBQOSA-N 387.823 2.695 0 40 GFAB CCCn1nc(C(=O)OCC(=O)NC2CCC(C)CC2)c2ccccc2c1=O 20895629 HCVGGMGAMOURNH-UHFFFAOYSA-N 385.464 2.658 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1985847 ZSEMTKUIMKPGNU-SFHVURJKSA-N 380.444 2.779 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(C)n3)CC2)cc1 32761107 GPBRTLGGWOPOTA-AWEZNQCLSA-N 386.521 2.799 0 40 GFAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102234708 QYFXCDCMMOGUKW-ORIJERBGSA-N 392.883 2.554 0 40 GFAB Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 4373799 SIBWZGFQAWFRNF-UHFFFAOYSA-N 381.455 2.653 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1OC 6201816 VDNZOEPLESYCKQ-LLVKDONJSA-N 398.868 2.663 0 40 GFAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)[nH]2)c1 10475510 VMGNMCGNBLTBMM-UHFFFAOYSA-N 398.444 2.998 0 40 GFAB CN(C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1)c1ccccc1 8635704 ACHDRDKJHOBRLK-IRFCIJBXSA-N 399.560 2.812 0 40 GFAB biogenic,in-vitro O=C(CCOc1cccc(Cl)c1)NCc1ccnc(N2CCOCC2)c1 33046872 YFPWNUFSVAURKA-UHFFFAOYSA-N 375.856 2.657 0 40 GFAB CCN(CC)C[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C 2781175 TXVHCACYJLHXBL-VIFPVBQESA-N 399.255 2.819 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1Br 12224906 PBLKDQFWGGVNEX-UHFFFAOYSA-N 394.244 2.750 0 40 GFAB CN(C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12410020 LFCGHACAQHWVCF-ZDUSSCGKSA-N 385.430 2.762 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)C(=O)N2CCc3ccccc32)cc1 23248813 MBOVPJAPZSPUQV-KNQAVFIVSA-N 393.531 2.936 0 40 GFAB Cc1nc(COc2ccccc2C(=O)NCCc2ccc3c(c2)OCO3)no1 23695558 ZLRJCNDQHKXGBS-UHFFFAOYSA-N 381.388 2.658 0 40 GFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cn2ccccc2=O)o1 24211008 LVRNHEGLJRICRX-HXUWFJFHSA-N 392.411 2.666 0 40 GFAB COc1ccc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)cc1OC 57593974 GYTFEOIEPXVGCX-GFCCVEGCSA-N 386.379 2.883 0 40 GFAB CNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22278059 KIUCDSNRHPFTHH-UHFFFAOYSA-N 382.869 2.598 0 40 GFAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)Cc1ccccn1)C3 100215237 HANYWSMDSNWUST-UHFFFAOYSA-N 385.427 2.890 0 40 GFAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 56320871 QZHXBNNLWWGLPH-IBGZPJMESA-N 386.492 2.908 0 40 GFAB C[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 43839109 IXOPKUSUUDVRQF-CQSZACIVSA-N 375.432 2.930 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)n2C)c1 23053423 IPBXGSBSKDBFSZ-UHFFFAOYSA-N 394.460 2.691 0 40 GFAB COc1ccccc1OCC(=O)OCc1nc(-c2ccc3c(c2)OCO3)no1 57476975 OHWYGXKOVUBDPT-UHFFFAOYSA-N 384.344 2.596 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(F)c2)C(=O)N3)cc1 20744396 GAJNPIVEJVYLHI-OAHLLOKOSA-N 381.367 2.615 0 40 GFAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)c(C)c2oc1=O 2107998 DXOPKKWFXXMZGM-CJNGLKHVSA-N 375.421 2.711 0 40 GFAB biogenic CCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 2117945 OCTCTXWGCDTEOX-INIZCTEOSA-N 387.432 2.729 0 40 GFAB biogenic O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 48132825 FBUBDVPYSZABJK-HNNXBMFYSA-N 383.481 2.682 0 40 GFAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC[C@@H](C)C1)OCO3 2225072 HLWJOWVKCWAFDA-GFCCVEGCSA-N 387.436 2.744 0 40 GFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 48299834 ZEADKUKFDBYYMR-CRAIPNDOSA-N 386.496 2.750 0 40 GFAB CCOC(=O)N[C@H]1CCCN(Cn2c(=O)oc3cc(Br)ccc32)C1 48289272 PFGOFNNDMACBDE-LBPRGKRZSA-N 398.257 2.525 0 40 GFAB COc1cc(NC(=O)COC(=O)COc2ccc(C)cc2)cc(OC)c1OC 28800033 MOKPVMJRKVTLBH-UHFFFAOYSA-N 389.404 2.582 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 12799825 WTMLQVWNFIVARU-DLBZAZTESA-N 382.460 2.704 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 12937155 LSTPSVKDBFGSOI-KRWDZBQOSA-N 399.516 2.830 0 40 GFAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12906751 NHPIJSRJMFLWTF-UHFFFAOYSA-N 398.528 2.892 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cnc3ccsc3c2=O)c1 12986482 IUZHNEGCHKCIFL-INIZCTEOSA-N 399.472 2.839 0 40 GFAB CC1CCC(C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)C(C)C)CC1 4100517 MBYABQKQUVYBIN-QLOJAFMTSA-N 386.540 2.697 0 40 GFAB CCN(CC)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 6046627 URCFBDSLJYUTOM-UHFFFAOYSA-N 395.569 2.713 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 39589551 BWFFVOGLOCBOFM-QGZVFWFLSA-N 382.460 2.624 0 40 GFAB Cc1c(C(=O)O[C@H](C)C(=O)NC(C)C)sc2nc3n(c(=O)c12)CCCCC3 39514964 FQATZURSHVBJKX-GFCCVEGCSA-N 391.493 2.563 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 24574959 UQLVKSPBQDOZPZ-UHFFFAOYSA-N 383.473 2.909 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@H]2C)C1=O 4308582 WHISVUQPWXWRJH-MNVSYLFESA-N 375.444 2.772 0 40 GFAB CC[C@@H](C)n1c(=S)[nH]c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O 18154745 ZFASTAFOEXHEKB-QLJPJBMISA-N 391.493 2.835 0 40 GFAB biogenic O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1F 6790052 DFMSUJDQUZPNNP-UHFFFAOYSA-N 393.260 2.744 0 40 GFAB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(Cl)nc1 6840751 ALTZDMTYCSMTJT-UHFFFAOYSA-N 397.884 2.783 0 40 GFAB COC(=O)c1ccc(OC)cc1OC(=O)c1cc(OC)c(OC)c(OC)c1 6948807 WXBXJVFDDWUQJB-UHFFFAOYSA-N 376.361 2.727 0 40 GFAB Cc1cc(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833672 RHGMOUFVZDNFQE-CABCVRRESA-N 392.546 2.978 0 40 GFAB CCOC(=O)c1sc(N(C)S(=O)(=O)c2ccc(F)c(F)c2)nc1C 78824688 JGTDFRXJGXLNRZ-UHFFFAOYSA-N 376.406 2.732 0 40 GFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1 96014041 HKWGMOVVIXNUSQ-IBGZPJMESA-N 394.537 2.715 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 408648609 ZQHPVKZNENHKGC-UHFFFAOYSA-N 389.473 2.958 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(C)ccc4C)CC3)C2=O)cc1 19889694 VDTUIBFVWJKVGT-OAQYLSRUSA-N 393.487 2.766 0 40 GFAB COCCN(C)C[C@H]1CCCN1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 72291965 WSBRVSMVKAYGAI-TZIWHRDSSA-N 379.520 2.682 0 40 GFAB COc1ccc(N(C)C(=O)CNC(=O)c2ccc(Br)o2)cc1F 97162892 YEXCDUZJHHVWHP-UHFFFAOYSA-N 385.189 2.583 0 40 GFAB COCCn1ccc2ccc(C(=O)NCCCc3nnc4ccccn34)cc21 95473388 IAVZBZRGKOCVAU-UHFFFAOYSA-N 377.448 2.693 0 40 GFAB CS(=O)(=O)c1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 550993812 YZSACZHHDXGNGT-UHFFFAOYSA-N 382.367 2.811 0 40 GFAB Cn1ccc(C(=O)N[C@H]2COCc3c2cnn3-c2ccc(C(F)(F)F)cc2)n1 306134270 NHLVYOYTCAFFRV-HNNXBMFYSA-N 391.353 2.626 0 40 GFAB CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1 408556868 FBILNMSBEHKPDL-AWEZNQCLSA-N 392.477 2.708 0 40 GFAB CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)cc1 35590100 BNSFCYHIGCIZQT-UHFFFAOYSA-N 375.406 2.992 0 40 GFAB Cc1ccc(C)c(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1 70933233 DJIRDJAZJYOQAA-UHFFFAOYSA-N 387.505 2.529 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCCSC3CCOCC3)CC2=O)cc1C 238845163 IDHMOZQWFCKDGV-MRXNPFEDSA-N 376.522 2.685 0 40 GFAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCN(Cc2ccccc2)CC1 225735964 YWFWGXHGHYAEFH-UHFFFAOYSA-N 395.890 2.999 0 40 GFAB CCOC(=O)C1(c2ccc(NC(=O)c3cnc4sccn4c3=O)cc2)CC1 223035730 WGNFBEASDGHERN-UHFFFAOYSA-N 383.429 2.603 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 225438984 YCTQDTPYGNNTQP-AWEZNQCLSA-N 386.423 2.650 0 40 GFAB S=C(NC[C@H]1CCCO1)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 223898747 ZLCLPOWYXSRHOT-LJQANCHMSA-N 397.548 2.874 0 40 GFAB Cc1nc2nc3ccn(CCCN(C)C)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398556 JUPMOQIFMRLJHE-UHFFFAOYSA-N 380.427 2.505 0 40 GFAB CCc1cc(S(=O)(=O)Nc2ccc(OC)cc2C)ccc1OCC(=O)OC 226687604 TVOMRSBOGFSKGC-UHFFFAOYSA-N 393.461 2.919 0 40 GFAB Cc1cc(Cn2nnc(C(=O)N3CCN(C4CC4)c4ccccc43)c2C)on1 583337476 NDUDWDXMTMCSJJ-UHFFFAOYSA-N 378.436 2.560 0 40 GFAB CC(C)Cn1c(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21 96223439 BNVARLBIEMCDCO-INIZCTEOSA-N 394.475 2.950 0 40 GFAB CNC(=O)OC[C@H]1CCCCN1C(=O)c1cnn2c(-c3cccs3)ccnc12 585085592 QQVSCNIONBTCMO-CYBMUJFWSA-N 399.476 2.809 0 40 GFAB CNC(=O)c1sc2nc(C3(C)CCN(c4cc(C)ncn4)CC3)ccc2c1N 257287255 PPDWKRMZRVBFQA-UHFFFAOYSA-N 396.520 2.895 0 40 GFAB CC(C)C[C@@H](NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1)c1cccs1 644327079 FWNUDWWNUANMAV-DNVCBOLYSA-N 381.542 2.850 0 40 GFAB CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c2c(nn1C)CCCC2 601843810 WZMYITQAMGDATN-UHFFFAOYSA-N 391.493 2.742 0 40 GFAB Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc21 96096496 AUJONCJCJFAOPQ-QGZVFWFLSA-N 382.844 2.983 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327101 IECHJKQKADOOOT-QZTJIDSGSA-N 395.551 2.756 0 40 GFAB COc1ccc([C@@H]2C(C(=O)O)=C(COC(C)=O)Oc3cc4c(cc32)OCO4)cc1 5663924 DAOOIVSMQFEKIW-IBGZPJMESA-N 398.367 2.850 0 40 GFAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@H]3COCCO3)cc12 12186385 KLYHFBZALZIBIE-KRWDZBQOSA-N 396.491 2.516 0 40 GFAB Nn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(F)c1 15278688 WFPZZEAENKAOCE-UHFFFAOYSA-N 391.403 2.580 0 40 GFAB Cc1ccc(-c2nc(C3CCN(C(=O)Cc4c(C)noc4C)CC3)no2)cn1 19215050 ZUUXPFXNFDDDGS-UHFFFAOYSA-N 381.436 2.994 0 40 GFAB CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2S(=O)(=O)N1CCCC1 19590819 LGXNHDRJSBMBHW-ZCNNSNEGSA-N 395.544 2.809 0 40 GFAB O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1onc2c1CCCC2 628737439 MXMSGIVQHRFQAM-HNNXBMFYSA-N 375.856 2.842 0 40 GFAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)Cn1cccn1)C2 643575332 CRTMEHWBRDDNIB-UXHICEINSA-N 381.524 2.969 0 40 GFAB O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694041 LADKYHUONCEFDB-UHFFFAOYSA-N 387.455 2.819 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)n1 1776008584 IJDVCUXTGPEPPL-UHFFFAOYSA-N 387.369 2.674 0 40 GFAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccc(Cl)cc1 2952335 CGFZKFYTUZBTAN-UHFFFAOYSA-N 399.878 2.872 0 40 GFAB O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NC1CC1 2974429 WZUVNXWRMRDDIY-UHFFFAOYSA-N 375.450 2.627 0 40 GFAB O=S(=O)(NCCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1 3082440 FSCBUGNFSBUTJC-UHFFFAOYSA-N 396.534 2.504 0 40 GFAB COc1cccc(-c2ccc(=O)n(CC(=O)N3CCCc4ccccc43)n2)c1 5400201 YAQIBABYESOUDN-UHFFFAOYSA-N 375.428 2.898 0 40 GFAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 9036924 DMRUJOIUNOQTRZ-AWEZNQCLSA-N 378.881 2.980 0 40 GFAB COc1ccccc1N1CCN(C(=O)COc2ccnc3c2CCCC3)CC1 207011914 CRAQZRMHWKUWJN-UHFFFAOYSA-N 381.476 2.697 0 40 GFAB Cc1cc2c(cc1NC(=O)CCC(=O)c1ccccc1)N(C)S(=O)(=O)N2C 575611593 GLZWEIDYOAREND-UHFFFAOYSA-N 387.461 2.727 0 40 GFAB Cc1ccccc1OCC(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225727906 UTPQCQLLOVIUPV-UHFFFAOYSA-N 380.370 2.531 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 244975255 IIHLMTVBJJTGNC-INIZCTEOSA-N 394.880 2.852 0 40 GFAB CC(C)(CO)NC(=O)Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 44037560 ABAUJDGEWPMVEA-OUKQBFOZSA-N 388.489 2.529 0 40 GFAB COc1ccc([C@@H](NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)C2CC2)cc1 40062287 NERRTQRWYOQTJQ-FQEVSTJZSA-N 393.443 2.628 0 40 GFAB CCc1ncc(NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cn1 152455742 AIOGALSKGUBPFW-ZDUSSCGKSA-N 388.855 2.558 0 40 GFAB O=C([C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1)N1CCCC1 40149795 RCYKGIKNKBKGSP-QGZVFWFLSA-N 380.416 2.607 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCCc3ccccc3)C2=O)cc1 20168817 YDKMMPLCMDWKOP-LJQANCHMSA-N 380.444 2.718 0 40 GFAB CCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2ccccc21 100621146 IFENLWAGBXJDGQ-UHFFFAOYSA-N 382.416 2.674 0 40 GFAB O=C(COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1ccc(Cl)c(Cl)c1 100646786 XDBLINCRGNVXGY-MDYBRZHASA-N 384.215 2.673 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CCc3nc(-c4ccccn4)no3)ccc21 31521187 HLQULJAAAMWJBB-UHFFFAOYSA-N 377.404 2.612 0 40 GFAB C/C(Cl)=C/Cn1c(=O)n(C/C=C(/C)Cl)c(=O)n(C/C=C(\C)Cl)c1=O 1230186 YXGAVWIWBOCAET-CANCODAGSA-N 394.686 2.600 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11917931 QAKCYTHMXASIBA-HUUCEWRRSA-N 384.432 2.842 0 40 GFAB NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804157 OHUXVNGYXBTGHN-NRFANRHFSA-N 377.488 2.510 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C)c2)cc1 8413055 KDUJBUPJVUYWSY-UHFFFAOYSA-N 398.415 2.682 0 40 GFAB O=C(CSc1nnc2ccccn12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8323910 NPECIRHILPUVOA-OAHLLOKOSA-N 396.472 2.956 0 40 GFAB CCCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CC)nn3c(O)c2C1 100234695 ULUMOYBGYQTZLX-KRWDZBQOSA-N 399.495 2.583 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12257961 SFRZGGYZPSKAQW-ZDUSSCGKSA-N 378.425 2.772 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)c1cc(Br)ccc1O 8341315 UFJUBJJLNRUPFI-UHFFFAOYSA-N 397.294 2.995 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc3ccccn23)C1 12389726 RIPQUHVEWWQNQF-MNDMWVCDSA-N 376.416 2.877 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 856663 FMJOKPRBXJEFND-IKVWTGGYSA-N 376.449 2.630 0 40 GFAB COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)c1 956683 DGVBGZAFKMISMS-QGZVFWFLSA-N 384.461 2.530 0 40 GFAB CS(=O)(=O)N1CCC[C@H](c2nc(-c3cccc(Br)c3)no2)C1 109474601 HWRJINCFRUGDOS-NSHDSACASA-N 386.271 2.638 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 24921331 VQKBVWHWHQDROS-UHFFFAOYSA-N 387.505 2.936 0 40 GFAB O=C(Nc1cccnc1-n1cccn1)N(Cc1cccnc1)C[C@@H]1CCCO1 48081189 XHSSQYZCWRBIOA-KRWDZBQOSA-N 378.436 2.875 0 40 GFAB CCc1cc(=O)n(CC(=O)Nc2ccccc2C(=O)OC)c(-c2ccccc2)n1 57527157 OFXQAGFYPMKEPX-UHFFFAOYSA-N 391.427 2.898 0 40 GFAB CCc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 21089991 AXLZVYWJXBKDEG-SFHVURJKSA-N 386.473 2.876 0 40 GFAB CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O 3379235 JHHDUMBQECRIRL-UHFFFAOYSA-N 396.472 2.708 0 40 GFAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccncc1 3333604 BOQZSOFUMDMTGP-UHFFFAOYSA-N 375.384 2.993 0 40 GFAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(C(N)=O)cn2)cn1 58080162 GIBLCHFNTFVJHQ-UHFFFAOYSA-N 378.388 2.937 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 28203735 WCKVHPNYMUVUJS-QGZVFWFLSA-N 385.508 2.525 0 40 GFAB Cc1nn(CCCNC(=O)Cn2nc(C(F)F)c3c2CCC3)c(C)c1Cl 36614082 DXYBWNHXOVJLID-UHFFFAOYSA-N 385.846 2.983 0 40 GFAB COC(=O)[C@H](C)[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 118927932 RKZIYOHKBLFLTH-JOIJXHERSA-N 394.552 2.757 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NC2CCCCCC2)S(=O)(=O)N(C)C)c1 20244763 SQNRHBUYABIICJ-UHFFFAOYSA-N 381.542 2.755 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(OC[C@H]2CCCO2)cc1 3510155 KFZUKZWJDOGVHH-MRXNPFEDSA-N 386.429 2.671 0 40 GFAB O=C(N[C@@]12CC[C@H](OC(=O)c3ccccc3)[C@@H](SC1)[C@H]2O)c1ccccc1 4027792 KTLCCBNUTRMVBR-OOSNJVJTSA-N 383.469 2.651 0 40 GFAB biogenic CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cc(F)cc(F)c2)c1=O 64604812 UGTGSKTZTVNZLG-UHFFFAOYSA-N 398.369 2.786 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1C 5093154 SARSDKSJZBVLIV-UHFFFAOYSA-N 389.355 2.721 0 40 GFAB CCN(CC)C(=O)CSc1nnc(SCC(=O)NC2CCCC2)s1 6107306 VAFDNDRGOZKKQA-UHFFFAOYSA-N 388.584 2.650 0 40 GFAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1c[nH]c2ccccc12 6354204 DSNXRQQOSCFTNQ-GFCCVEGCSA-N 376.368 2.579 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-n2cncn2)cc1 14197409 KVUXPYVEEQNONJ-UHFFFAOYSA-N 389.459 2.823 0 40 GFAB CC(=O)c1c(C)nn(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c1C 8714539 UESWVFMMNOGHLN-HNNXBMFYSA-N 396.443 2.738 0 40 GFAB COc1ccc(CN(C(=O)CSc2nnnn2CC(C)C)C2CC2)cc1 14251937 AWIOCUYNBMXOAS-UHFFFAOYSA-N 375.498 2.621 0 40 GFAB O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCN(c2ccccc2F)CC1 67283441 BVXBOJGPVNJGAF-UHFFFAOYSA-N 383.402 2.567 0 40 GFAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2nc[nH]n2)c1 7111851 PEVROVKGFWUZTE-UHFFFAOYSA-N 392.444 2.543 0 40 GFAB Cc1cc(C)n2c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nnc2n1 7214979 JZSHEWGFDJMDNS-ZDUSSCGKSA-N 396.476 2.597 0 40 GFAB O=c1[nH]nc(SCc2cc(Cl)cc3c2OCOC3)n1C[C@@H]1CCCO1 7350226 XZQMWGRZEHIHJZ-ZDUSSCGKSA-N 383.857 2.563 0 40 GFAB O=C(CCN1CCN(c2ccccc2)CC1)NC1CCN(CC2CCCC2)CC1 95405542 YFDMUAGALPRNGB-UHFFFAOYSA-N 398.595 2.970 0 40 GFAB CCOC(=O)[C@H]1CCC[C@@H]1N1CCN(C(=O)c2ccccc2OC(F)F)CC1 95457029 PLGZVAHRVFBJIG-HOCLYGCPSA-N 396.434 2.778 0 40 GFAB C[C@@H](OC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1cn(-c2ccccc2)nn1 95964678 SIBYJHBADIZGCB-MRXNPFEDSA-N 397.479 2.799 0 40 GFAB COC[C@@H]1CCCN1C(=O)c1ncc(Br)cc1Br 95940237 AVXOHVHQJUURGY-VIFPVBQESA-N 378.064 2.858 0 40 GFAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCCN1CCC(CO)CC1 79112040 WKYSZWDRWHWMAD-UHFFFAOYSA-N 393.940 2.827 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 409331694 OKLBLAVMYAURHG-INIZCTEOSA-N 388.489 2.729 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408559338 LQCVOWHOWFSIAF-CQSZACIVSA-N 392.477 2.626 0 40 GFAB Cc1ncsc1CN1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306140701 VBGXMNKLVHDGRR-INIZCTEOSA-N 398.536 2.710 0 40 GFAB COc1cccc([C@H](CNC(=O)Cn2cnc3ccccc32)N2CCCC2)c1 512709838 HLHMVQBDIAHJAX-NRFANRHFSA-N 378.476 2.998 0 40 GFAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 408548566 IUZAVFCDLIJHNU-WOJGMQOQSA-N 389.411 2.755 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1C 408551724 ILLABEXTJSPWNJ-ZDUSSCGKSA-N 396.896 2.640 0 40 GFAB CC(C)c1nnc(NC(=O)CCCCCn2nnc3ccccc3c2=O)s1 36352832 HMOKZGUUWIBWCQ-UHFFFAOYSA-N 386.481 2.966 0 40 GFAB COc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)cc2c1OC 35686252 WAAIEGILJGYNEX-SNVBAGLBSA-N 388.449 2.707 0 40 GFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1 72392224 AZUQRZXXXBGCHA-LJQANCHMSA-N 395.503 2.817 0 40 GFAB CCCn1nc(C(=O)OCc2csc(NC(C)=O)n2)c2ccccc2c1=O 39224272 PHJCUUQDGCQZHK-UHFFFAOYSA-N 386.433 2.578 0 40 GFAB COC(=O)CCNc1cnn(CCOc2ccc(Cl)cc2)c(=O)c1Cl 32837506 SPFFJMLFUULEBP-UHFFFAOYSA-N 386.235 2.604 0 40 GFAB COc1ccc(CNC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1 49404293 LNDMNTNMGFYBJO-UHFFFAOYSA-N 383.477 2.696 0 40 GFAB Cc1noc(-c2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2)n1 40050196 ADZFHDSDXMEKIW-UHFFFAOYSA-N 375.388 2.554 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225930399 JYGJNODLTBEJFU-UHFFFAOYSA-N 389.477 2.521 0 40 GFAB COC(=O)CSc1nnc(NC(=O)COc2cccc3ccccc23)s1 222893101 DXNMHFLUMYIBMI-UHFFFAOYSA-N 389.458 2.974 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCC(C)(C)C)cc1Cl 226076139 PLACHRSYZSGDNP-UHFFFAOYSA-N 390.933 2.912 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222663364 SRZVNNBCTBJRCU-CQSZACIVSA-N 394.468 2.944 0 40 GFAB COc1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)cc1F 96080852 WMXUYNRALCOTFV-IAGOWNOFSA-N 390.480 2.587 0 40 GFAB CO[C@@H](CNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1C 96105121 LIHXQLJIMSHIEZ-OXFYSEKESA-N 379.522 2.997 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 96226014 SAHWAHWEHKYHET-IBGZPJMESA-N 384.823 2.735 0 40 GFAB O=C(Nc1cccc(C(F)(F)F)c1)C1CN(c2cc(-n3cccn3)ncn2)C1 245015132 LNIWLAJMURHIGR-UHFFFAOYSA-N 388.353 2.756 0 40 GFAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 260790359 BRYMUTDSOSZZFZ-MRXNPFEDSA-N 392.496 2.956 0 40 GFAB Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 260805441 DATUGYPQXNWFII-OAHLLOKOSA-N 378.469 2.773 0 40 GFAB COc1ccc(NC(=O)N2CC(OCc3nc(C)no3)C2)c(C(F)(F)F)c1 644315004 QUKSQWSTRYIXKG-UHFFFAOYSA-N 386.330 2.838 0 40 GFAB Cn1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(-c2ccco2)n1 665887904 RLYYNYMGJBSLPJ-UHFFFAOYSA-N 398.850 2.932 0 40 GFAB Cc1cc(N2CCC(NC(=O)NC[C@H]3OCCc4ccccc43)CC2)nc(C)n1 674160687 IIKYTLBDMZGJLN-HXUWFJFHSA-N 395.507 2.675 0 40 GFAB C[C@@H]1CCc2c(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)csc2C1 58551779 YUPVQCMHMFGSQB-LLVKDONJSA-N 391.518 2.691 0 40 GFAB C[C@@H](c1ccccc1)n1cc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)cn1 646448366 XRCKQWGOXIFAIV-INIZCTEOSA-N 381.480 2.969 0 40 GFAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cc[n+]([O-])cc1 5962264 DUUJPKDUSSOYMP-UHFFFAOYSA-N 390.439 2.748 0 40 GFAB Cc1nn(CC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(=O)c2cc3sccc3n12 12115278 NQBQAPALSSGDQW-HUUCEWRRSA-N 378.457 2.691 0 40 GFAB CCn1nc(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)c2ccccc2c1=O 12238139 NNKOMRQETMJKHA-GOSISDBHSA-N 396.535 2.826 0 40 GFAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1ccccn1 12276234 KXDXSJIVIOHEPE-CQSZACIVSA-N 384.386 2.792 0 40 GFAB CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CCn2cncn2)C1 12835891 WFWIINBADZNKBN-QGZVFWFLSA-N 382.443 2.823 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 19211303 REGZBIZSOFVRAV-MRXNPFEDSA-N 384.461 2.927 0 40 GFAB Cc1cc(C)n(CCCC(=O)N2CCC(Oc3ccccc3F)CC2)c(=O)n1 19572560 QHQZCHHOKGFXDA-UHFFFAOYSA-N 387.455 2.849 0 40 GFAB COCC(=O)N1CCC[C@H](c2nc(-c3ccccn3)ncc2-c2ccncc2)C1 19592783 GWLVISBNTWKOLE-KRWDZBQOSA-N 389.459 2.953 0 40 GFAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccccc2Cl)CC3)C1 19709509 JZUCCFQBVXZTBY-KRWDZBQOSA-N 387.915 2.716 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)(C)c1cccc(F)c1)C2=O 19715365 SHDHQSYYVQSLDO-UHFFFAOYSA-N 389.471 2.720 0 40 GFAB Cc1c(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)sc2nc[nH]c(=O)c12 19717809 WNJUWUMKDWASFU-UHFFFAOYSA-N 383.408 2.929 0 40 GFAB Cc1nnc(N2CCC([C@H]3CCCCN3S(C)(=O)=O)CC2)c2ccccc12 19747119 NGBHJIURWQFBLQ-LJQANCHMSA-N 388.537 2.969 0 40 GFAB C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccc1 19749218 XOKUTZMWAJEAJF-GOSISDBHSA-N 395.503 2.737 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)[C@@H]1CCc2ccccc2O1 575615349 DELCNHDPFANSGU-NRFANRHFSA-N 392.503 2.834 0 40 GFAB O=C(c1noc2c1CCCC2)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390832277 YIVIXTDLAWTFAU-QGZVFWFLSA-N 392.452 2.695 0 40 GFAB COc1ccccc1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 6108145 NLIIMEZNKFTEEU-QFIPXVFZSA-N 378.428 2.834 0 40 GFAB O=C(c1csc(-c2ccccc2)n1)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888913970 JEFURZDGMWLLHM-IYBDPMFKSA-N 377.473 2.809 0 40 GFAB O=S(=O)(Cc1noc2ccccc12)NC[C@@]1(O)CCCc2sccc21 1889214360 JYGLPVMPEZOKIK-KRWDZBQOSA-N 378.475 2.533 0 40 GFAB Cc1ccncc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037988936 OCSSBRZXVLJQMI-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB Cc1ccc(Cc2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)c(C)c1 8922756 GQVGISBHZKUCLP-UHFFFAOYSA-N 385.445 2.933 0 40 GFAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)C3CCCC3)c2n1 8942189 SLTQGZGDKCLSFS-UHFFFAOYSA-N 376.530 2.923 0 40 GFAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(C(=O)O)cc2)C3)cc1 12447673 FNZVOTXOZOUUHB-SFHVURJKSA-N 377.400 2.690 0 40 GFAB Cn1/c(=N/C(=O)CSCC(=O)NC2CCCCC2)sc2ccccc21 100825449 ITUPSOVEWNRBTF-ZZEZOPTASA-N 377.535 2.849 0 40 GFAB O=S(=O)(NCCn1cc(-c2ccncc2)cn1)c1cccc(C(F)(F)F)c1 575612345 BOQIICHYCIXKBD-UHFFFAOYSA-N 396.394 2.942 0 40 GFAB Cc1cc(O[C@H]2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)nc(C)n1 575610663 XBLJKBLRDFSALU-KRWDZBQOSA-N 379.457 2.606 0 40 GFAB Cc1ccccc1CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 27387449 QZQUTHFNRZSETO-UHFFFAOYSA-N 386.517 2.747 0 40 GFAB CCCCN(C(=O)c1cnn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 40146592 RFIOVIHIFBXPAT-GOSISDBHSA-N 389.521 2.669 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCC(=O)N(C)CCOc2ccccc2)cc1 40155386 RHKPKHZAWQRXNI-UHFFFAOYSA-N 390.505 2.591 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101227155 VDKOGNUUZLMWFL-USJZOSNVSA-N 381.428 2.770 0 40 GFAB CCN1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)c3cccs3)cc2)CC1 29798808 VXEGICBIKXNRTC-HNNXBMFYSA-N 386.521 2.647 0 40 GFAB CC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc(CO)c(CO)c1O 1567130 WTZUCTQSBSDSRG-UHFFFAOYSA-N 388.416 2.824 0 40 GFAB endogenous,in-man NC(=O)Cn1nnc(N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)n1 2581975 IHKOSURTRBASIZ-UHFFFAOYSA-N 391.262 2.672 0 40 GFAB CCc1nnsc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 32741122 KWBGMPDQUIIUOI-UHFFFAOYSA-N 375.479 2.799 0 40 GFAB O=C(CSc1nnnn1C1CC1)N1CCC(c2nc3ccccc3o2)CC1 32805963 PMRWBTUINJPIGX-UHFFFAOYSA-N 384.465 2.648 0 40 GFAB CCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 6264870 HVCNFRMMBHVNIZ-BVYCBKJFSA-N 390.524 2.898 0 40 GFAB biogenic CCCn1nnnc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC 6462599 RWYGDXHHVHXLBZ-UHFFFAOYSA-N 389.268 2.525 0 40 GFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 6730732 RTARCSWGSRIDLF-FZCLSBEQSA-N 376.884 2.731 0 40 GFAB Cc1ccc(N(C)S(=O)(=O)c2nnc(NC(=O)c3ccco3)s2)cc1 6818367 DNTZIYOFPLYQIC-UHFFFAOYSA-N 378.435 2.517 0 40 GFAB CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)s1 7654941 IKNLOBVPVDUHHO-SNVBAGLBSA-N 378.479 2.650 0 40 GFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCOc4ccccc43)cc2C[C@H]1C 21867141 QOUAILDGQNMNEI-ACJLOTCBSA-N 386.473 2.786 0 40 GFAB CCOC(=O)C[S@](=O)c1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 8466700 WZKRQBIGPSQWER-AREMUKBSSA-N 384.379 2.932 0 40 GFAB CCC1(CC)COP(=O)(OCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)OC1 104324985 YKWZENVBPMZPQW-AJNGGQMLSA-N 383.381 2.771 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 53081592 GMWIOUCUJFIALB-HNNXBMFYSA-N 383.448 2.658 0 40 GFAB Cc1ccccc1-c1nnn(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 53115415 KHZSFZHVJYYIRW-KRWDZBQOSA-N 393.495 2.794 0 40 GFAB CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[C@@H]1c1ccccc1 12296625 CRTKFYNHSTYBSF-KEZQHZCBSA-N 383.536 2.977 0 40 GFAB biogenic Cc1ccc([C@H]2c3c(-c4ccc(F)cc4)nnc(O)c3Nc3nnnn32)cc1 9202027 GNUFMDHVJYNTBM-KRWDZBQOSA-N 375.367 2.978 0 40 GFAB COC(=O)c1cc(CSc2nnc(Cc3ccc(OC)cc3)n2N)oc1C 23593540 YREZKAGPPYEAFX-UHFFFAOYSA-N 388.449 2.572 0 40 GFAB Cc1ncccc1C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145686 ASTSTDGWXDNVRF-ROUUACIJSA-N 376.460 2.938 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccsc2)CC1 24501285 JKHHMGAQOOCZRQ-UHFFFAOYSA-N 382.489 2.900 0 40 GFAB NS(=O)(=O)c1cccc(CNC(=O)C(c2ccccc2)c2ccccc2)c1 24699647 HXNUBIITKSTDPN-UHFFFAOYSA-N 380.469 2.782 0 40 GFAB Cc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 24865282 ZPPRQLZNRUXNHU-UHFFFAOYSA-N 382.489 2.993 0 40 GFAB CONC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 12526074 QTGTWZRKRSSFIP-UHFFFAOYSA-N 391.268 2.603 0 40 GFAB COc1ccc([C@H](CNC(=O)NCc2ccccc2)N2CCOCC2)cc1OC 25220904 JIOHKVSSMYGPKX-IBGZPJMESA-N 399.491 2.577 0 40 GFAB C[C@@H](CN1CCCC1=O)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 55814401 OEXFNEBWQILIII-HNNXBMFYSA-N 395.438 2.543 0 40 GFAB CSc1ncc(Cl)c(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)n1 25670839 PWUUOYSUFQNSIA-UHFFFAOYSA-N 390.849 2.615 0 40 GFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N(C)c1c(F)cccc1F 57120507 DFZHPTALDPVTPK-VQHVLOKHSA-N 383.372 2.896 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC 26676376 REVFKSZCYJJGOY-CYBMUJFWSA-N 390.867 2.834 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3C)cc1 35590342 ZPRCWVXXTGNPKQ-FQEVSTJZSA-N 377.444 2.730 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1nc(-c2ccc(F)cc2)no1 58146612 PBOHFUHLJGWGSL-JTQLQIEISA-N 394.362 2.593 0 40 GFAB O=C(C[C@@H](C(=O)O)N(CCO)Cc1ccccc1)Nc1ccc(Cl)cc1 10384093 WVCVKDNQBREEIV-KRWDZBQOSA-N 376.840 2.616 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C)cc3O)CC2)cc1 58310006 ZVAVJDCHUYLPBL-UHFFFAOYSA-N 388.489 2.546 0 40 GFAB CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1cc(C)on1)C(F)(F)F 2257316 SYYRFLLMIRCIJY-OAHLLOKOSA-N 389.305 2.786 0 40 GFAB CC(C)(C)NC(=O)CN1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1 36384643 LQTBUSLYDFCRGZ-UHFFFAOYSA-N 397.519 2.938 0 40 GFAB Cn1c(=O)c2c(-c3ccc4c(c3)OCO4)cc(-c3cccs3)nc2n(C)c1=O 3313170 WRSGROPZDQOGCP-UHFFFAOYSA-N 393.424 2.756 0 40 GFAB O=C(CNc1ccc(Cl)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11124724 YTGRRTSXUZWSRL-KRWDZBQOSA-N 378.881 2.972 0 40 GFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3sc4c(=O)[nH]cnc4c3c2)C1 45796115 PBKPCUSRCPZMIY-PHIMTYICSA-N 377.491 2.804 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 12749558 NAYKTRVXCBUMEI-UHFFFAOYSA-N 395.411 2.922 0 40 GFAB O=C(CNC(=O)c1cc(Cl)ccn1)N[C@@H]1CCSc2c(F)cccc21 12796870 KPZXGWOGLIGVQY-CYBMUJFWSA-N 379.844 2.957 0 40 GFAB O=C1CCCN1C[C@H]1CC[C@]2(COCCN(Cc3ccc4[nH]ccc4c3)C2)O1 306127858 GJFZBAIHATXNTA-KNQAVFIVSA-N 383.492 2.540 0 40 GFAB O=C(c1ccc(OCc2cccnc2)cc1)N1CCCN(C[C@H]2CCCO2)CC1 48311608 OFDXCARISIYHCQ-JOCHJYFZSA-N 395.503 2.988 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc(F)cc1 3592564 OTJRQWKOIAVHHJ-RCDICMHDSA-N 395.434 2.787 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Nc1ccccc1F 12935294 UADGDKWSHPXYJP-AWEZNQCLSA-N 394.472 2.663 0 40 GFAB COc1ccc2nc(NC(=O)c3cc(S(N)(=O)=O)ccc3Cl)sc2c1 12904623 ANAIBODTUCKIKL-UHFFFAOYSA-N 397.865 2.858 0 40 GFAB C[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1 12975420 ZLWJASXZSCYNKI-SNVBAGLBSA-N 383.267 2.588 0 40 GFAB COC(=O)c1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1 12919971 MFWUUSCFDWQHRG-UHFFFAOYSA-N 396.490 2.574 0 40 GFAB COc1ccc(CN2CCN(C(=O)COc3ccccc3OC)CC2)cc1F 12922232 KMQLPUQZAIZYMJ-UHFFFAOYSA-N 388.439 2.566 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCCCC2)C(=O)[C@]31C 4063970 NITOJVBNQVKQOR-QFIPXVFZSA-N 381.476 2.951 0 40 GFAB biogenic Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)no1 18156044 IFXGUGLDTZRMNV-BETUJISGSA-N 377.466 2.902 0 40 GFAB COc1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 4384038 WPTYCWGDMDQBGC-UHFFFAOYSA-N 393.432 2.566 0 40 GFAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc2c(c1)OCO2 13961507 IKPSDVICGRGORB-KDOFPFPSSA-N 389.429 2.791 0 40 GFAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCC1=CCCCC1 14019748 VFHGVUXODLYXNS-UHFFFAOYSA-N 382.508 2.973 0 40 GFAB Cc1cc(N2CCN(C(=O)c3cccnc3N3CCCC3)CC2)nc(C(C)C)n1 14140142 BAZBSQFYEPSOGY-UHFFFAOYSA-N 394.523 2.866 0 40 GFAB CC(=O)N[C@H](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 14113593 FPHVPMGHLDJTRY-LJQANCHMSA-N 381.476 2.934 0 40 GFAB Clc1ccccc1-c1noc(CSc2nnnn2C[C@@H]2CCCO2)n1 14142229 AALSDVMUYDMOMK-JTQLQIEISA-N 378.845 2.848 0 40 GFAB CC(C)CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 6719294 CPDVTBZKODMVEU-LSDHHAIUSA-N 396.534 2.579 0 40 GFAB CSc1nsc(SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)n1 4985225 IGEKFXNYHSIPLN-UHFFFAOYSA-N 383.476 2.922 0 40 GFAB CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCCCCC2)=C1C(=O)OC 67287879 OEBXDTSKGLALLT-LJQANCHMSA-N 387.480 2.742 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 7068325 GKOQBYMRQPSGHE-UHFFFAOYSA-N 380.379 2.891 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 7128570 ZMPSENJUWWEOHZ-UHFFFAOYSA-N 379.844 2.932 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H](c2ccccc2)O1 67602928 ANLLTEQQGDXNFX-DNVCBOLYSA-N 388.489 2.762 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(-c2ccco2)on1 7356494 XUDUBHWCOGAWOD-UHFFFAOYSA-N 396.447 2.842 0 40 GFAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@@H]1CCCO1)n2CC 8011649 UIFTUTVAGGRVRF-AWEZNQCLSA-N 391.493 2.620 0 40 GFAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1cccc(F)c1 71328303 XRYQXKSWGLZQEN-UHFFFAOYSA-N 393.378 2.841 0 40 GFAB O=C(COc1ccccc1P(=O)(O)O)Nc1ccc(Cl)c(Cl)c1 9419562 CBEOEFCTNXDJND-UHFFFAOYSA-N 376.132 2.814 0 40 GFAB COC(=O)c1sccc1NC(=O)CN1CCN(c2ccccc2Cl)CC1 71775385 PCKRUJPSKNRWKE-UHFFFAOYSA-N 393.896 2.949 0 40 GFAB C[C@@H]1CCC[C@@H](N(CC(=O)N2CCOCC2)Cc2ccc3c(c2)OCO3)[C@@H]1C 71856408 IFFDLLDLBFSSBX-ZHALLVOQSA-N 388.508 2.901 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc2ccccc2c1 9606719 IBVGPJZPTNRDNL-KBXCAEBGSA-N 397.504 2.975 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 97014030 REWMDLXCKMBJOM-DOMZBBRYSA-N 376.482 2.538 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(O)cc1)SCC(O)=N2 79486249 YGGBNCHVLQTQDQ-WBMJQRKESA-N 393.490 2.681 0 40 GFAB COC(=O)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 30209150 LCKSHIFMNNSZES-MRXNPFEDSA-N 384.407 2.624 0 40 GFAB COCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ncccc2c1=O 31616111 DQDFCFZLPHNEBK-UHFFFAOYSA-N 398.488 2.786 0 40 GFAB O=C(C[C@@H]1SC2=NCN(c3ccc(F)cc3)CN2C1=O)Nc1ccccc1 72333010 NKFAUSCGQWIOIM-INIZCTEOSA-N 384.436 2.890 0 40 GFAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 72241290 FOHFOJLIXRZNPS-MSOLQXFVSA-N 376.815 2.694 0 40 GFAB Cc1c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cccc1-n1cnnc1O 560846202 DZUKMMRXSICMFB-UHFFFAOYSA-N 377.404 2.763 0 40 GFAB COCc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)cc1 72390853 MLSMZWMTDNICQD-FQEVSTJZSA-N 394.475 2.505 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1 224089067 ANOCFQPVOCBSOQ-UHFFFAOYSA-N 377.462 2.588 0 40 GFAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1C 224810731 PVKDLDPEYIFPGE-UHFFFAOYSA-N 379.434 2.624 0 40 GFAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 47339035 ZUSRCIRNGDBODX-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB Cc1cc(S(=O)(=O)NCCOCc2ccccc2)ccc1N1CCCC1=O 224375555 QXIYXEQRUIWKCX-UHFFFAOYSA-N 388.489 2.617 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(C[C@H](O)c2ccc(F)cc2)CC1 583615877 IHOWLQNDWLGLSL-SFHVURJKSA-N 398.438 2.942 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)Cc3cn(C)c4ccccc34)C2)c1F 253472762 PGRRRNXDZPUBGH-HNNXBMFYSA-N 382.439 2.892 0 40 GFAB COCCC(=O)N1CC[C@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 257326169 WWCQERXYSFRKMM-AWEZNQCLSA-N 375.498 2.954 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N4CCS(=O)(=O)C[C@H](C)C4)ccc32)c1 614018771 VRLZVYGGSGPBIB-MRXNPFEDSA-N 397.500 2.841 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N(Cc2ccoc2)Cc2cccs2)CC1 90747750 PVCJIDXXMVFIOA-UHFFFAOYSA-N 382.507 2.542 0 40 GFAB O=C(NCCCc1cc2ccccc2o1)C(=O)NCc1ccc2c(c1)OCO2 390830497 LKBGTTOGSOZPSA-UHFFFAOYSA-N 380.400 2.527 0 40 GFAB COC(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1 96103735 NFFLEUZLYKVKHL-UHFFFAOYSA-N 381.354 2.996 0 40 GFAB O=S(=O)(NCC[C@@H]1CN(Cc2ccsc2)Cc2cccn2C1)C1CC1 585095038 AUELOPWJHKIVPX-OAHLLOKOSA-N 379.551 2.654 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615123634 UILHZGKNOQGPIO-NRFANRHFSA-N 399.422 2.729 0 40 GFAB O=C1N[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 11859170 BPVKQRQJQSDSDR-WWGRRREGSA-N 399.756 2.839 0 40 GFAB COc1cc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc(OC)c1OC 13670363 OSQZWRQCVFDBFT-UHFFFAOYSA-N 385.869 2.985 0 40 GFAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1CCOCC1 14184752 YTTQOOICQQAWST-VIFPVBQESA-N 393.075 2.838 0 40 GFAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 16455462 SWBSBYJPQDMVSZ-NRFANRHFSA-N 397.406 2.824 0 40 GFAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19117794 IDYHBXGWGMLMSP-AWEZNQCLSA-N 395.488 2.627 0 40 GFAB C[C@@H](CNC(=O)[C@@](C)(O)c1ccccc1)n1nc(-c2cccs2)ccc1=O 19456401 NSEWJWLULQUARO-XOBRGWDASA-N 383.473 2.557 0 40 GFAB CCc1cc(CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)on1 19655875 UYAKLGUVEQWBJD-UHFFFAOYSA-N 376.420 2.706 0 40 GFAB COc1ccc(CC(=O)N2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)cc1 19687786 YAMKDZZRDFEQGQ-NRFANRHFSA-N 390.443 2.690 0 40 GFAB C[C@@H](NC(=O)c1cccn(CC(=O)N(C)C2CCCCC2)c1=O)c1ccccn1 19751408 FEHZSDPPWWSONF-MRXNPFEDSA-N 396.491 2.525 0 40 GFAB CCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929640 TUPJFBDORNBVDK-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1ccc([C@H](CC(=O)NC(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 19935757 VDYJGYWXMLWGOG-IBGZPJMESA-N 390.505 2.972 0 40 GFAB CCn1c(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)nc2ccccc21 19524313 PPDQXNXVSZOQQB-UHFFFAOYSA-N 386.459 2.760 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3242240 ORGGPYVADXNQRI-UHFFFAOYSA-N 387.383 2.717 0 40 GFAB Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1I 30721730 NUHNQJZZGHTDSZ-PWSUYJOCSA-N 386.233 2.700 0 40 GFAB O=C(CC1CCOCC1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985415 JGLHISJBCRIYIW-QFIPXVFZSA-N 386.492 2.618 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 4393488 XLPZJACLOSZOET-HOTGVXAUSA-N 392.864 2.961 0 40 GFAB O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(I)c1)C2=O 4480389 MGPOVBGYPYJEBE-UHFFFAOYSA-N 393.136 2.790 0 40 GFAB COC(=O)CSc1cc2c3c(c(C(=O)OC)sc3c1)NC(=O)CS2 4577665 QNFKTVNXNJECFP-UHFFFAOYSA-N 383.472 2.997 0 40 GFAB COc1cc2c(cc1OC)CN1C(=S)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]1C2 4761297 PELNLIHBJRJLFD-KRWDZBQOSA-N 396.468 2.965 0 40 GFAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 21011403 HQFBTMGDGHKYMP-UHFFFAOYSA-N 389.462 2.508 0 40 GFAB c1ccc(-c2cc(OCC3CCN(Cc4nnc5n4CCC5)CC3)ncn2)cc1 1775970118 CATLUHRHEOBNGJ-UHFFFAOYSA-N 390.491 2.972 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1Cl 23106841 XWZINOWCZCEDHF-OAHLLOKOSA-N 393.896 2.530 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)c1 211105828 XESWRJFUQUZRTR-SFHVURJKSA-N 397.493 2.761 0 40 GFAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccccc1C)CC3 48987817 WLXQBDJUYPDGNZ-UHFFFAOYSA-N 377.444 2.842 0 40 GFAB CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NC2CC2)cc1 48991116 BRQVONMNQFYHGY-UHFFFAOYSA-N 380.491 2.864 0 40 GFAB C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1nc(C(C)(C)C)no1 40057372 KSMACTYMJRJPIC-VHSXEESVSA-N 386.499 2.581 0 40 GFAB CCOC(=O)c1nc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 40088524 NACHCNGLWQNNRO-GFCCVEGCSA-N 382.507 2.916 0 40 GFAB COC(=O)c1cn([C@H]2CCCC[C@H]2NC(=O)/C=C/c2ccc(C)cc2C)nn1 40152713 CJMWHRMSARWFGI-LTFCCEMQSA-N 382.464 2.995 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)o3)CC2)cc1 51163232 DFYQBLDHXQGMKT-UHFFFAOYSA-N 376.478 2.734 0 40 GFAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2ccc3nncn3n2)CC1 20737102 ZIFRFNOFYYAVMM-UHFFFAOYSA-N 390.369 2.998 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ccc3nncn3n2)CC1 20721551 FUHOJOZBPCKQPF-UHFFFAOYSA-N 390.369 2.998 0 40 GFAB COc1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cn1 7848989 HTFVYQDQCABGGK-UHFFFAOYSA-N 384.392 2.729 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccc(OC)cc2)C1 52133380 RNXYBNNVFFFFMD-RTBURBONSA-N 388.508 2.504 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4C(=O)C[C@@H](c5ccccc54)[C@@H]3C2=O)c1 4852554 IOSGVIBONFEHJT-DSYPUSFNSA-N 377.396 2.663 0 40 GFAB Cc1ccc(F)c(CN2CCC3(CC2)C[C@H](NS(=O)(=O)C2CC2)CCO3)c1 108533687 VSTYXIFRMWVEKS-QGZVFWFLSA-N 396.528 2.730 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCCn1nc(-c2ccc(F)cc2)oc1=O 21730116 GWWYESBUXFXLFW-UHFFFAOYSA-N 381.363 2.719 0 40 GFAB O=C(CCNC(=O)Cc1ccccc1)NCc1ccnc(OC2CCCC2)c1 32914878 SZKAMJQQBAVZMD-UHFFFAOYSA-N 381.476 2.768 0 40 GFAB O=S(=O)(c1ccc(N2CCC[C@@H]2c2cccs2)nc1)N1CCOCC1 21866147 ADIWCCVZZWZFLO-OAHLLOKOSA-N 379.507 2.506 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 10275725 ABBDCGXZMDLOFT-UHFFFAOYSA-N 384.457 2.843 0 40 GFAB Oc1ccc([C@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10298074 LOPHLCCNTYOUMN-QKIXSCASSA-N 385.387 2.739 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1C 10313824 AOYMQYVYSKCSLP-UHFFFAOYSA-N 376.434 2.714 0 40 GFAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)c(OC)c1 955884 FEFRCBOIDRKCRO-SFHVURJKSA-N 392.419 2.618 0 40 GFAB COc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2cccs2)cc1 1077769 NCKUZXSLTSSFKJ-HNNXBMFYSA-N 389.502 2.713 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)NCCCCOc2ccc(F)cc2)no1 23133635 RSAGRJRNXNBWJF-UHFFFAOYSA-N 395.456 2.769 0 40 GFAB c1coc(Cn2c(SCc3cn4ccccc4n3)nnc2N2CCOCC2)c1 12535621 BJVZBLVIMYMNTC-UHFFFAOYSA-N 396.476 2.696 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1Cl 25324983 WWSVQHNBGZJWPU-UHFFFAOYSA-N 378.881 2.710 0 40 GFAB COC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(C(=O)OC)cc1 59227808 PAXHDZDSGRDIEM-KRWDZBQOSA-N 382.441 2.576 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491029 LJRHBGRTIIZNPC-AWEZNQCLSA-N 385.489 2.745 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(NC(=O)[C@@H]2CCCO2)c1 58196560 GEBYVLPIIZGTMD-IBGZPJMESA-N 396.443 2.548 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccccc2O)CC1 58160707 IUJOUVAVWFABHZ-GFCCVEGCSA-N 379.382 2.959 0 40 GFAB CCc1n[nH]c(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 58209121 JUKFCEZUZOWPKN-CHWSQXEVSA-N 375.498 2.712 0 40 GFAB COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)O)c3ccccc3)c(=O)oc2c1C 2106344 CESWSMFUABTAQM-IBGZPJMESA-N 395.411 2.903 0 40 GFAB biogenic CC(C)CCC(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 58411837 BNFBGGBVBXULAO-UHFFFAOYSA-N 383.286 2.875 0 40 GFAB COc1ccc(CNC(=O)c2nc(COc3ccccc3NC(C)=O)no2)cc1 36359408 MAJYDAGWZSJJGI-UHFFFAOYSA-N 396.403 2.546 0 40 GFAB CC(C)(C)NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 3308563 HXWBIXLJMLZEHM-UHFFFAOYSA-N 380.872 2.650 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)CC2(CCCC2)C1=O 8231032 OTDBUYSCGNKTTO-UHFFFAOYSA-N 380.448 2.747 0 40 GFAB C[C@@H](OC(=O)c1ccco1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12769565 PDBYDKFGSDNRRE-SECBINFHSA-N 382.294 2.829 0 40 GFAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(-c2ccccc2)cc1 12878469 DILNIZJZMOYVQW-OAHLLOKOSA-N 387.443 2.674 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)cnc21 12994028 RPHMYPITTUMKBV-CYBMUJFWSA-N 379.420 2.765 0 40 GFAB C[C@@H](C(=O)NCc1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 12902676 DYEHXHHMFKVJLY-INIZCTEOSA-N 381.476 2.748 0 40 GFAB CCc1nn2c(=O)cc(CSc3nnc(-c4ccoc4C)o3)nc2s1 8323805 KZJYQGFQPITFTO-UHFFFAOYSA-N 375.435 2.957 0 40 GFAB CN(c1ccccc1C(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 409343518 DROFKSLVNYCQPS-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB CCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OCC)c1 5577703 GETKVGPNVCQZJN-HSQYWUDLSA-N 390.524 2.985 0 40 GFAB CSCC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1nnc2ccccn12 6661918 AHUFRGSNCZZCML-HNNXBMFYSA-N 398.488 2.654 0 40 GFAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 408565092 BEFKFYLXZGEJCQ-CYBMUJFWSA-N 393.418 2.816 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 6822671 ACAYQFLOFVHDAX-INIZCTEOSA-N 397.450 2.536 0 40 GFAB NC(=O)COc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1 8767027 AMJIJWRVMATKBY-UHFFFAOYSA-N 376.840 2.793 0 40 GFAB COC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 19818215 NUEJFDWDVOUORI-UHFFFAOYSA-N 381.476 2.620 0 40 GFAB CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1nnc2n1CCC2 79025673 PWRYNLCSGCWPHN-UHFFFAOYSA-N 386.456 2.557 0 40 GFAB COCCn1cc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)cn1 84409774 NENOGSCFPBBQHC-SFHVURJKSA-N 383.493 2.590 0 40 GFAB CC(C)c1cnc(CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)o1 95959204 YEOVVZQDCSVHMK-UHFFFAOYSA-N 382.508 2.895 0 40 GFAB CC(C)c1nccc(C2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CC2)n1 89893772 RCPOOIYMADNIDX-SFHVURJKSA-N 384.524 2.955 0 40 GFAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 408560036 ZQFZTTDFKYBWQG-INIZCTEOSA-N 382.526 2.711 0 40 GFAB CNS(=O)(=O)c1cccc(-c2noc(-c3ccc4cc(OC)ccc4n3)n2)c1 546415729 ITWBDJOKZJDNPA-UHFFFAOYSA-N 396.428 2.869 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 408607103 QATSCOMAHIWGAA-NSHDSACASA-N 398.868 2.663 0 40 GFAB COc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Br)cc2)cc1OC 72227274 CHECZOLRODREAC-JKSUJKDBSA-N 377.238 2.882 0 40 GFAB Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 72362678 AYHMZSZRHTWQTK-QGZVFWFLSA-N 394.475 2.906 0 40 GFAB Cc1ccc(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2c1[C@H](C)CC2=O 32759423 SLTMOWGIHAZCNS-LLVKDONJSA-N 387.413 2.898 0 40 GFAB COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4[nH]nc5c4C[C@@H](C)CC5)C[C@@H]32)c1 72339768 XTVAUHQFSBXWRU-CRKFXISPSA-N 395.503 2.913 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223267967 RGDYYOQVAXCHTF-OAHLLOKOSA-N 378.469 2.773 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)c(C)c1 225941560 KOJKWAQUCJNIDE-FOIQADDNSA-N 386.473 2.859 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccc1 224716650 GVOMLMQANRXOGG-UHFFFAOYSA-N 388.474 2.610 0 40 GFAB CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224891309 ODKKMGRGAQRNCY-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccccc1 40391021 HFZJSYLZCVRPKT-UHFFFAOYSA-N 396.410 2.799 0 40 GFAB CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@@H](C)C2)n1 225882834 FRYMERRJBRVVIM-GFCCVEGCSA-N 389.554 2.960 0 40 GFAB CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(c1ccncn1)CC2 96260476 QQDHKHKLCVHDJC-UHFFFAOYSA-N 380.496 2.533 0 40 GFAB O=C(O)c1ccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cc1 96269116 LXXHNSREYBSANX-LJQANCHMSA-N 383.423 2.646 0 40 GFAB biogenic,in-vitro O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc2ccccc2s1 95473607 NPKVRXUMWCYNGT-HNNXBMFYSA-N 394.456 2.992 0 40 GFAB CCc1nnsc1C(=O)N1CC[C@@H](Cc2nccnc2-c2c(C)noc2C)C1 257322475 WGCWYDUBLNHDGE-ZDUSSCGKSA-N 398.492 2.867 0 40 GFAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccc2cnn(C)c2c1 585085279 FUPMIVXLLXEINT-NRFANRHFSA-N 376.460 2.726 0 40 GFAB Cc1cccc([C@H](NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C(F)(F)F)c1 666371749 AAKSCOZKTGBNGB-BNOWGMLFSA-N 378.416 2.863 0 40 GFAB COc1cccc([C@H](CO)NC(=O)c2n[nH]c3ccc(Br)cc23)c1 678396148 INFCIOUGPDKJLM-HNNXBMFYSA-N 390.237 2.797 0 40 GFAB COc1cccc2sc(OC3CN(C(=O)Cc4ccc5c(c4)OCO5)C3)nc12 90594283 BZZSGBMEBNUQOW-UHFFFAOYSA-N 398.440 2.866 0 40 GFAB COc1ncc(Cl)c(N[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]2C(F)(F)F)n1 1615611409 LHLGYCPOQQQZPV-IQJOONFLSA-N 392.809 2.986 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CC2(CCCO2)C1 626485180 JIKVHADZZUBPES-UHFFFAOYSA-N 387.461 2.884 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N2CC(c3ncc(Br)cn3)C2)cc1 1650695482 QBNAVCVWTJIVCN-UHFFFAOYSA-N 387.237 2.603 0 40 GFAB CO[C@H]1CC[C@H](C(=O)NS(=O)(=O)c2cc(F)c(Br)cc2C)C1 1616042574 FXNIPSPZEDIPSF-UWVGGRQHSA-N 394.262 2.517 0 40 GFAB CN1CCC(n2cc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cn2)CC1 639704795 NOSNZFYOCUPKLY-LJQANCHMSA-N 385.468 2.962 0 40 GFAB C[C@@H]1Oc2ccc(C(=O)C3CCN(c4ncccc4C(=O)O)CC3)cc2NC1=O 647449929 WAKAGXWHBUPPGP-LBPRGKRZSA-N 395.415 2.599 0 40 GFAB CO[C@H](CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccsc1 96120629 VCIBEMSMYJPFBP-GFCCVEGCSA-N 375.418 2.862 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)s4)CC3)[C@H]2C1 585106305 QLGHHHKVLJHPLU-UAGQMJEPSA-N 389.565 2.898 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 1615158352 MGXRJJGEVOZHJZ-HSZRJFAPSA-N 394.471 2.662 0 40 GFAB Cc1cc(CN2C(=O)CC3(CCN(Cc4ccccn4)CC3)n3nccc32)no1 1772596575 VHCYYPJTKLSZSK-UHFFFAOYSA-N 392.463 2.503 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1F 12084965 FJAHLYSNMMJIBG-CYBMUJFWSA-N 387.440 2.854 0 40 GFAB Cc1ccnn1CCC(=O)N[C@H](Cn1nc(-c2cccs2)ccc1=O)C(C)C 13227761 UTPKWIPVJHJUIF-QGZVFWFLSA-N 399.520 2.708 0 40 GFAB CCc1nn2c(=O)cc(COC(=O)CSc3ccc(C)cc3)nc2s1 15734021 PQOGAWMLYGBISW-UHFFFAOYSA-N 375.475 2.857 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccccc1 16576807 PIMGFQXJVAHNFI-ZDUSSCGKSA-N 396.896 2.847 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19558987 KCEQOYHGZIHIFL-BIGNPOOSSA-N 398.389 2.788 0 40 GFAB CN1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)nc(O)c2C1 19590239 QIPDZSRJIIWDFN-QGZVFWFLSA-N 380.492 2.509 0 40 GFAB Cc1nc(CN(C)C(=O)Cc2ccccc2)nc2c1CCC(=O)N2CC1CC1 19703747 DEXZATWBXZXIAZ-UHFFFAOYSA-N 378.476 2.675 0 40 GFAB CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930259 BLYHVTHTTYZHCG-UHFFFAOYSA-N 388.917 2.762 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1O 6308120 LKEKUASHZHFIGK-MHWRWJLKSA-N 390.461 2.696 0 40 GFAB Nc1ccc2nn(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)nc2c1 226306346 AROUBRKLWQUVQG-UHFFFAOYSA-N 383.408 2.943 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 8508563 JJWCQAVUFVHPPA-UHFFFAOYSA-N 377.400 2.639 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)ncn1 1888843482 BMEGUNZAWVBUGH-UHFFFAOYSA-N 394.401 2.506 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 26651825 NCUXUBVFEIKUOE-HNNXBMFYSA-N 394.493 2.871 0 40 GFAB O=C(NCc1cc(F)cc(F)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 30482384 CWJJEKUGGQAAMI-DLBZAZTESA-N 394.418 2.563 0 40 GFAB O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccn1 9001174 BDEIOFXHLDSTTL-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB COc1cccc2cc(C(=O)NCc3cc(-c4ccccn4)nn3C)c(=O)oc12 1775966446 FCGKJXHBLCOMSU-UHFFFAOYSA-N 390.399 2.527 0 40 GFAB Cc1c(C(=O)N2CC[C@@H](S(=O)(=O)Cc3ccco3)C2)cnn1-c1ccccc1 206693769 KHZLWLMEPNGSKL-GOSISDBHSA-N 399.472 2.603 0 40 GFAB Cc1nn(CCNS(=O)(=O)c2c(C)nn(C)c2C)c(C)c1-c1ccsc1 575614856 LAHZUCVXFZNQIK-UHFFFAOYSA-N 393.538 2.557 0 40 GFAB O=C1[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1CC(F)(F)F 2298031356 MGFGBKFQAQVVQA-CQSZACIVSA-N 376.806 2.787 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)c1 19564213 IWYPADDUUNHCKI-MRXNPFEDSA-N 390.443 2.808 0 40 GFAB CN1CC(=O)N(CCCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1=O 40012258 XQCHHCRCVRODNU-ZDUSSCGKSA-N 381.885 2.667 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(c3ncccn3)CC2)n1 40104902 WOHMFWHPADAPPU-UHFFFAOYSA-N 377.452 2.633 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)Cc2coc3cc(C)c(C)cc23)CC1 31000962 YXDMZBJQCNZZHJ-UHFFFAOYSA-N 378.494 2.522 0 40 GFAB Cc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 20518028 NJSDYZQYCOVQAW-UHFFFAOYSA-N 397.479 2.675 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 29172054 MYKCDSJMBUIBRH-UHFFFAOYSA-N 376.391 2.602 0 40 GFAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NCc1ccco1 2634864 WMZSARRZKZTZDT-UHFFFAOYSA-N 395.202 2.934 0 40 GFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1 2627662 JEDFCFLJCHTKEW-JOCHJYFZSA-N 379.460 2.555 0 40 GFAB Cc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)c(C)c1 4744613 IDBUACAGYSULOL-FDPKGLCPSA-N 377.437 2.638 0 40 GFAB COCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2SC)cc1 32803697 ZYEGRXUKYQGDOD-UHFFFAOYSA-N 397.474 2.933 0 40 GFAB O=C(Cn1ccc(C(F)(F)F)n1)NC1CCN(C(=O)C2CCCCC2)CC1 46587393 FAOIVJFINRYVOA-UHFFFAOYSA-N 386.418 2.589 0 40 GFAB COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C)o4)CC3)n2)cc1 22230428 OCCVXLYIHJXYML-UHFFFAOYSA-N 382.420 2.605 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 802447 SEFLFRZFZVOWHI-UHFFFAOYSA-N 375.479 2.602 0 40 GFAB CCOC(=O)c1cc(CC)sc1NC(=O)Cn1ncc2ccccc2c1=O 24107018 DUIUGRUBFPHWEA-UHFFFAOYSA-N 385.445 2.836 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)Cc2c(Cl)cc(C)nc2Cl)c2ccccc2O1 24343609 AVXWXGKEETYZDR-OAHLLOKOSA-N 394.258 2.780 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3ccccc3OC)CC2)c1 24744868 NRJARAZMHJFRLY-UHFFFAOYSA-N 399.447 2.702 0 40 GFAB Cc1ccc(-n2c(=S)[nH]c3nn4c(=O)c(C(C)(C)C)n[nH]c4c3c2=N)cc1 103209924 PELJQQVJWUAPRY-UHFFFAOYSA-N 381.465 2.504 0 40 GFAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)NCCc1ccccc1 1321000 AZCGVEXAJIRJOR-UHFFFAOYSA-N 390.468 2.879 0 40 GFAB COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 107208131 QTCQPSKVJULIPE-UHFFFAOYSA-N 396.422 2.842 0 40 GFAB COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 108139082 SDOOUSACWMLWBM-OAVHHTNSSA-N 386.473 2.980 0 40 GFAB Cc1cnn(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 108274131 ROBSSZOECYDXQV-UHFFFAOYSA-N 390.509 2.783 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CSCC(=O)Nc1cc(C)on1 27064433 XYJMBTXXWMEEKL-UHFFFAOYSA-N 375.450 2.643 0 40 GFAB COCCNc1nnc(Sc2cc(C)nc3nc(C(F)(F)F)nn23)s1 44648684 BKIAXTOCISZVRF-UHFFFAOYSA-N 391.404 2.513 0 40 GFAB Cc1ccnc(-n2c(S[C@@H]3CCCCNC3=O)nc3ccccc3c2=O)c1 10193332 QNFCUKGWZSJHEA-MRXNPFEDSA-N 380.473 2.850 0 40 GFAB CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O 22357560 CXFCFBIYQQBBTC-UHFFFAOYSA-N 383.370 2.828 0 40 GFAB O=C1CN(C(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c2ccccc2N1 58173619 DKKRFQJDSKVCAW-HNNXBMFYSA-N 385.489 2.714 0 40 GFAB Cc1ccccc1CSc1nc(=O)n([C@H]2CCS(=O)(=O)C2)c2c1CCC2 27795607 OJCDOCXEZLCUHS-HNNXBMFYSA-N 390.530 2.692 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]([C@H]3CCOC3)N3CCCC3)ccc12 58381199 OLPVDYOPQWIQJH-YJBOKZPZSA-N 385.464 2.724 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 12757898 AYXQUMOATSHIOX-HXUWFJFHSA-N 384.501 2.890 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 12772743 OJJRGALSIMJOBM-HXUWFJFHSA-N 381.428 2.957 0 40 GFAB CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12798683 SOZZCFRLEHFOTQ-UHFFFAOYSA-N 391.445 2.659 0 40 GFAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(C)nc2c1nc1n2CCCCC1 12788435 MWGYCMHCIMMTKZ-UHFFFAOYSA-N 385.512 2.843 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(OCC(F)(F)F)cc1 12866464 UJDDIFRHMDIORQ-UHFFFAOYSA-N 391.349 2.654 0 40 GFAB CCOc1ccc([C@@H](CNC(=O)c2ccsc2)N2CCOCC2)cc1OC 12816084 OVVTUIRWJHJIPF-QGZVFWFLSA-N 390.505 2.959 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC1CCCCC1 12893501 VQKYUAUDAITTPO-IBGZPJMESA-N 396.491 2.860 0 40 GFAB biogenic C[C@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C[C@H](C)O1 3477235 ZPHPOKGNVBUUHY-HOTGVXAUSA-N 377.444 2.694 0 40 GFAB CC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 12938895 BLMHTKQHTDGODA-HIFRSBDPSA-N 387.457 2.961 0 40 GFAB COc1cc2c(cc1OC)CN(CN1C(=O)[C@H](C)N(c3ccccc3)C1=O)CC2 12914212 PFBDNKWIWBPWRF-HNNXBMFYSA-N 395.459 2.877 0 40 GFAB Cc1ccc(-c2cc(NC(=O)CN(CCC(N)=O)Cc3ccccc3)on2)cc1 12987079 ZSIALTCWGXBIEQ-UHFFFAOYSA-N 392.459 2.966 0 40 GFAB O=C(Cc1ccccc1Cl)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 23588976 NBGRPBSTRBEBEN-UHFFFAOYSA-N 390.842 2.914 0 40 GFAB CCCCCCNc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C 13750645 XEPALENYHWGZEL-UHFFFAOYSA-N 387.459 2.613 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)C1=O 4477293 WHMROHKWVCXQRL-NRFANRHFSA-N 379.416 2.685 0 40 GFAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)nn2)CC1 4739215 GCJGAWXTDOZVRU-UHFFFAOYSA-N 388.880 2.794 0 40 GFAB COc1ccccc1CN(C)Cc1nc(N)nc(Nc2ccccc2OC)n1 14923534 QDSUNEPQOYWWPO-UHFFFAOYSA-N 380.452 2.847 0 40 GFAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(Cl)cc1Cl 8993901 VYNRMQKJJOSLNW-SNVBAGLBSA-N 392.242 2.874 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1OC 7217906 XBIYUYBNRSTFFN-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB O=C(c1ccco1)N1CCN(C(=O)c2ccc(F)cc2Br)CC1 9052368 DMLSXFJJSMUERD-UHFFFAOYSA-N 381.201 2.779 0 40 GFAB CC(C)n1nnc(-c2ccc(O)c(NC(=O)Cc3ccccc3C(=O)O)c2)n1 71288786 PNIFHEUNBDMQIY-UHFFFAOYSA-N 381.392 2.506 0 40 GFAB COc1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)cn1 96001907 QFIGIGNIRHEAOH-HNNXBMFYSA-N 382.424 2.631 0 40 GFAB CCc1c(C)nc2ccccc2c1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 96006632 HEEVWDQOPZZOEI-NRFANRHFSA-N 380.448 2.765 0 40 GFAB COc1ccc(N2C(SCC=C(C)C)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 9304210 GWCFLZJDCISCJR-HOCLYGCPSA-N 396.534 2.745 0 40 GFAB Cc1c(C(=O)NCc2cnn(C)c2)sc2nc(Cc3ccccc3)nc(N)c12 72289511 VVFCIELKLSYSNY-UHFFFAOYSA-N 392.488 2.836 0 40 GFAB CCC[C@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1 9762658 COXPSGQELZDFQG-SFHVURJKSA-N 393.443 2.635 0 40 GFAB CCCn1nc(-c2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)ccc1=O 84759119 RSDVMZYZQBEQHT-LBPRGKRZSA-N 377.445 2.501 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408554848 UXPNGSUAXIIUOV-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(I)cc1 409388878 XANCEEMZYIGFQG-AUZPSNTRSA-N 379.197 2.598 0 40 GFAB CC(C)(C)NC(=O)c1ccc(NCC(=O)NC(=O)NCc2ccccc2)cc1 24257592 KAWXQVNFBSELNC-UHFFFAOYSA-N 382.464 2.653 0 40 GFAB CS[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)C[C@@H]1N1CCCC1 95939735 UWLKEOOALBEPSH-KLIQENQMSA-N 387.549 2.933 0 40 GFAB CN(C)Cc1ccccc1CNC(=O)CCn1c(=S)[nH]c2ccccc2c1=O 9917437 PCCPGJKEXJDNMB-UHFFFAOYSA-N 396.516 2.827 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc(C(F)(F)F)c1 408618107 BYBQKJLLOVOFMP-OMDWYFEUSA-N 390.361 2.697 0 40 GFAB Cc1ccc(CN2CC(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36080521 MQNAIUCOVVMVAJ-LEWJYISDSA-N 398.528 2.626 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1cncc(Nc2cnccn2)n1 72376279 KSHKTXYRDZUJRN-MRXNPFEDSA-N 382.449 2.536 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 44285122 QSJDHJJSCJIQHP-UHFFFAOYSA-N 394.301 2.875 0 40 GFAB CCN(Cc1ccc(C(=O)NCCOC)cc1)S(=O)(=O)c1ccc(C)cc1 224453417 JQCLINMMZSYJDH-UHFFFAOYSA-N 390.505 2.582 0 40 GFAB O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CCCN(c2ccccc2F)C1=O 570264280 AYDDWXWDZHRVFP-OALUTQOASA-N 396.466 2.507 0 40 GFAB CC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 222939873 JAVRRZRLGDBEGT-QGZVFWFLSA-N 397.518 2.837 0 40 GFAB O=C(Nc1cccc(OC(F)F)c1)[C@@H]1COCC(=O)N1Cc1ccccc1 77197631 MFQRZLASUDKFMO-INIZCTEOSA-N 376.359 2.654 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)nn2)n1 77100924 KWKNWNZXSRVRAK-UHFFFAOYSA-N 392.467 2.558 0 40 GFAB CCCSc1nnc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)s1 225426015 KUTITPZSYYGZCI-UHFFFAOYSA-N 386.524 2.688 0 40 GFAB CCCc1ccc(C(=O)N2CCc3nc(N4CCOCC4)nc(C)c3CC2)cc1 96254822 JZUNDBZMAZHRJA-UHFFFAOYSA-N 394.519 2.815 0 40 GFAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CC[C@H]4CCCC[C@H]4C3)ccc21 247561501 YYGZVQVCVZIGGZ-LKUPVBHCSA-N 392.565 2.944 0 40 GFAB COC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242463889 DPMFTWAZAPKRMJ-JZXOWHBKSA-N 379.478 2.684 0 40 GFAB C[C@H]1CN(C(=O)Cn2cc(-c3cccc(Br)c3)cn2)C[C@H](C)O1 252484428 FVUJDHNONPQCCP-STQMWFEESA-N 378.270 2.948 0 40 GFAB CCN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1 257222662 DUFXMMYGPBNGCZ-CTNGQTDRSA-N 381.476 2.666 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 250659659 DLDAEOMDHGTYPP-CJNGLKHVSA-N 378.856 2.555 0 40 GFAB Cc1ccc(CC2CN(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)C2)cc1 1616043726 DESOOQYWIZJWGB-UHFFFAOYSA-N 390.480 2.792 0 40 GFAB CCOc1ccc(C(=O)N2CCN(c3cc(-n4cccc4)nc(C)n3)CC2)cc1 90607824 JIQHEEMDHBIIQN-UHFFFAOYSA-N 391.475 2.937 0 40 GFAB Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)Cc3ccccc3)CC2)n1 90607925 CAVAOECAWWKKSL-UHFFFAOYSA-N 388.475 2.815 0 40 GFAB COc1ccc(CNC(=O)N2CC3CC2(c2nnc(C)o2)C3)cc1OC(F)F 1615555826 UVGGXBVCUMPLAD-UHFFFAOYSA-N 394.378 2.819 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2cc(C)c(C)cc2C)OCCO)cc1 96338014 BZVJMEGTNBGBSL-LJQANCHMSA-N 377.506 2.949 0 40 GFAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)n1 575404568 OJNRSQFUNQLKTG-FPOVZHCZSA-N 394.471 2.670 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3C3CC3)CC2)c1 584908334 WRHWBGTUVQIPGK-UHFFFAOYSA-N 398.528 2.926 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1 12145141 DOGYVOAHDXKEQD-OAHLLOKOSA-N 380.448 2.867 0 40 GFAB C[C@@H]1CN(c2ncc3c(n2)CCC[C@@H]3NC(=O)Cc2cccs2)C[C@@H](C)O1 12241169 GRVAKSBYZUGMNF-CPUCHLNUSA-N 386.521 2.888 0 40 GFAB Cc1ccc(CN(C)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 12916972 MOOQVQZGANKROZ-FQEVSTJZSA-N 392.565 2.694 0 40 GFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 7495237 OPQRYTHWUYIQPK-SFQUDFHCSA-N 394.387 2.790 0 40 GFAB Cn1c(COc2cccc3ccccc23)nnc1SCCN1CCOCC1 19289290 UYDGMJJKROKHTB-UHFFFAOYSA-N 384.505 2.972 0 40 GFAB CC1CCN(C(=O)CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)CC1 19496708 MBJDTBOURXYOLP-UHFFFAOYSA-N 395.551 2.615 0 40 GFAB CCOc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)ccc1OC 19532123 ZIZCOJSYSHHRJK-FDFHNCONSA-N 396.531 2.956 0 40 GFAB Cc1c(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cnn1C 19553292 CBUNRCJBECDHBQ-ZDUSSCGKSA-N 383.477 2.560 0 40 GFAB COc1ccc2c(c1)C=C(CN1CCc3nc([C@@H]4CCCN4)ncc3C1)CO2 19562263 LNMFEQOVCGWJOU-FQEVSTJZSA-N 378.476 2.744 0 40 GFAB Cc1cc(C)n(CCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(=O)n1 19572502 UTDKRFQFRKVIAS-NRFANRHFSA-N 399.491 2.925 0 40 GFAB COc1ccc(CN2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1OC 19590710 GQYFGXIJQDBLDN-UHFFFAOYSA-N 382.508 2.861 0 40 GFAB CCn1nccc1C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1 19705579 UVCCWXKZPGABNM-KRWDZBQOSA-N 381.480 2.554 0 40 GFAB CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929638 PZAMYWCSDLHMDX-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCC#N 6441219 YHJMETNKWNNDBJ-OQLLNIDSSA-N 379.328 2.850 0 40 GFAB O=C(Nc1onc2c1CCCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 8976698 XUXUPEBBQATBJW-GFCCVEGCSA-N 395.506 2.654 0 40 GFAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 8667428 IFYKRULVHXPREN-AWEZNQCLSA-N 380.400 2.552 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)ccn1 1889115690 IMXMFYSJIGKABB-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)n1 1776008571 HGNQLUZFLCMRDR-UHFFFAOYSA-N 387.369 2.674 0 40 GFAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c(C)c1 4370362 UZBIYRNTCROIGX-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)CCc3ccc(OC)cc3)CC2=O)cc1 5220408 HEQOQQMLMILSPQ-KRWDZBQOSA-N 382.460 2.948 0 40 GFAB CCOc1ccc(-n2nnnc2CNC(=O)NCc2ccc(Cl)cc2)cc1 9615429 KVQGASVFBCNAEU-UHFFFAOYSA-N 386.843 2.714 0 40 GFAB COc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)c1 2055718084 GTSYIXCCQRHRDY-QHAWAJNXSA-N 381.476 2.956 0 40 GFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 22503391 JTNDELDAZFBNHM-UHFFFAOYSA-N 389.433 2.772 0 40 GFAB O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)Nc1ccc(F)cc1 49401641 YJSFAKYHNCVQCK-UHFFFAOYSA-N 381.392 2.693 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148304 XVUPBHFGVJDDOX-SFHVURJKSA-N 382.391 2.552 0 40 GFAB FC(F)(F)c1ccc(N2CCN(c3ncc(Br)cn3)CC2)nc1 52075620 DXKNOMKVLVWCAX-UHFFFAOYSA-N 388.191 2.980 0 40 GFAB O=C(Nc1cccnc1N1CCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 40114400 JIXBQAWOYWWXTM-SFHVURJKSA-N 378.476 2.712 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(CC(=O)N2CCCC2)cc1 40133557 OSBJIYBVRQDFAQ-UHFFFAOYSA-N 392.521 2.538 0 40 GFAB COCC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)s1 1371470 YCLJCFNGTBKYAD-UHFFFAOYSA-N 386.886 2.816 0 40 GFAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 29718995 FGVMDDPBPPABRV-PZJWPPBQSA-N 388.439 2.597 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(N2C(=O)CCC2=O)cc1 32769089 PEMXUJTYFMRVPS-UHFFFAOYSA-N 377.400 2.719 0 40 GFAB CCN1C(=O)C[C@@H](N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1=O 32771886 XKCDDQVJWJHYHG-GOSISDBHSA-N 388.899 2.781 0 40 GFAB CCCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 4895301 QOLYQPBELQRWQV-UHFFFAOYSA-N 388.555 2.622 0 40 GFAB O=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681424 NPJDQXGVEHQPJC-UHFFFAOYSA-N 389.458 2.735 0 40 GFAB CCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 6629558 UWNXJHNFMLYBQZ-RVDMUPIBSA-N 377.422 2.878 0 40 GFAB COC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881380 WMEHTSDRVNPEAB-RHSMWYFYSA-N 395.411 2.641 0 40 GFAB CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)NCc1ccco1 7939725 KKDAPSFVEKFBFT-UHFFFAOYSA-N 386.448 2.983 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OC 8476043 LBGJUFUIPJRPSF-UHFFFAOYSA-N 384.841 2.518 0 40 GFAB CCn1cc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C)n1 2731394 JRMSXMNZTIOBLN-UHFFFAOYSA-N 385.489 2.845 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1C 47175259 PACSQFIQLLOTKQ-MRXNPFEDSA-N 383.448 2.512 0 40 GFAB Cc1cc(=O)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F 22836075 CYWGLKUGOJCWQS-STQMWFEESA-N 395.381 2.809 0 40 GFAB CN1CCN([C@@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1 22917660 CLCICEDAPOAWFO-SFHVURJKSA-N 388.606 2.743 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)ccc1Cl 23053314 WTFGGNNSXGKENU-OAHLLOKOSA-N 399.299 2.855 0 40 GFAB CC[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1cccc(S(N)(=O)=O)c1 104904316 OCLTXQPWRPXBTI-GOSISDBHSA-N 396.472 2.672 0 40 GFAB OC1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1 57613931 AKCURMSTSRNDIK-LJQANCHMSA-N 383.883 2.921 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3cc(C)ccc3OC)CC2)c1C 24082164 SDOFMKJYEWVUCC-UHFFFAOYSA-N 399.491 2.693 0 40 GFAB C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1 24498593 WENVTJDXQHUTEJ-CQSZACIVSA-N 399.472 2.950 0 40 GFAB Cc1nc(-c2ncccn2)sc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 55098056 KTUDESKPXGFXPH-CHWSQXEVSA-N 389.525 2.526 0 40 GFAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccccc3s2)cc1 3248879 YISNJKNTMYAOCC-UHFFFAOYSA-N 376.459 2.626 0 40 GFAB CN(CCCOc1cccc(Cl)c1)C(=O)Cn1c(=O)cnc2ccccc21 55871370 MKHGTPJVMIOOMG-UHFFFAOYSA-N 385.851 2.977 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCC[C@@H]3Cc3ccccc3)nc2c1 25440385 FOKKSRMZOVAXIS-QGZVFWFLSA-N 377.444 2.917 0 40 GFAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 107586266 HYJSQDNKIOOMLO-UHFFFAOYSA-N 376.906 2.568 0 40 GFAB COc1ccc(CCn2nnnc2[C@@H](c2ccc(C)cc2)N(C)C)cc1OC 57740039 RRCLHCCQAMNNRT-HXUWFJFHSA-N 381.480 2.892 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(I)cc1 2060691 BNGSBGUINYKDPI-IOQCUFBNSA-N 379.197 2.993 0 40 GFAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-n2cnnn2)c1 58032586 SOOWWBZVXIWRJL-UHFFFAOYSA-N 384.871 2.520 0 40 GFAB CC(=O)Nc1ccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)cc1 44836663 ZUKLKRGSCRNWKC-UHFFFAOYSA-N 381.344 2.781 0 40 GFAB COc1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)c(O)c1 58407133 VBRJAGAEVJJGSC-UHFFFAOYSA-N 376.210 2.741 0 40 GFAB CN(C)[C@@H](CNC(=O)NCCNC(=O)c1ccccc1Cl)c1ccccc1 58439596 RHPPZQWJMZAWAQ-SFHVURJKSA-N 388.899 2.672 0 40 GFAB COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1 58515137 NXWVSGQXTDHAEJ-MRXNPFEDSA-N 389.477 2.733 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3S2)N2CCOCC2)cc1 12748215 REOMZGBTVPHTBG-FPOVZHCZSA-N 398.528 2.902 0 40 GFAB C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 10764437 GPECXYKSNVWQOL-AWEZNQCLSA-N 389.473 2.671 0 40 GFAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3ccc(Cl)s3)oc(C)c12 10858355 ULPLVQLIJYLNDG-UHFFFAOYSA-N 380.857 2.918 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)n(C)c1 28643820 CHLYCVMRNCYQAU-SFHVURJKSA-N 389.521 2.863 0 40 GFAB Cc1ccc(CN(C)C(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)o1 12751916 XXLBCYQPGVRTHF-IBGZPJMESA-N 387.461 2.550 0 40 GFAB CCCCN(C)C(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 48343978 TUWILROZTMTPDB-UHFFFAOYSA-N 376.526 2.535 0 40 GFAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 11210155 OEVKCDHHBVZMJS-ZIAGYGMSSA-N 377.462 2.743 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2nc(-c3cccs3)oc2=O)C1 12888885 FSBMLPBDZWHLDQ-AWEZNQCLSA-N 384.461 2.873 0 40 GFAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 3432073 XXDAWHXZSKYFLO-QFIPXVFZSA-N 394.427 2.725 0 40 GFAB COc1cccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 408624710 TZMKUPJVRWKPTN-INIZCTEOSA-N 390.505 2.599 0 40 GFAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCOc1cccc(Br)c1 8132122 UMIXJUDPEUAZAV-INIZCTEOSA-N 389.249 2.991 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 27845409 XUZXULDHOZLFPL-OLZOCXBDSA-N 378.416 2.504 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1cnn(Cc2ccccc2)c1 23846290 IPZMTLLEXXKWQR-UHFFFAOYSA-N 390.487 2.694 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)cc1 13175124 HWZKPDOFAAATAH-OAHLLOKOSA-N 381.837 2.689 0 40 GFAB CN(CC(=O)Nc1sccc1C(N)=O)CC(=O)Nc1cccc2ccccc12 8345167 HBRPWALLCASVLV-UHFFFAOYSA-N 396.472 2.509 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CCN2C(=O)COc3ccccc32)c1 8356711 IZAJIKFWWRGQND-CQSZACIVSA-N 384.432 2.697 0 40 GFAB CCOC(=O)C1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 17169748 XPAYTXPMWPWINR-UHFFFAOYSA-N 380.872 2.652 0 40 GFAB Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@H]3CCOC3=O)nnc12 6268517 FWCFUMFYSPJMEG-INIZCTEOSA-N 392.440 2.749 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1C(=O)O 69518054 FTHWQIHGTRJJHI-UHFFFAOYSA-N 396.396 2.682 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)Nc1cccc2ncccc12 14183240 ADPHFXPTEOABBI-UHFFFAOYSA-N 392.444 2.950 0 40 GFAB COc1ccc(-c2nonc2NC(=O)[C@H]2COc3ccccc3O2)cc1OC 5426568 IJFZCCMPZSZJEI-MRXNPFEDSA-N 383.360 2.532 0 40 GFAB CCC[C@@H](C)NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 6593572 TXSHXXJTYJTAJS-RHSMWYFYSA-N 388.464 2.545 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(-c4nnnn4C)c3)c12 14519321 DCFVLCVTKFBGIU-UHFFFAOYSA-N 375.392 2.851 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 6677968 ACJIZMOIQXFDTC-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccccc2)cc1 5726623 MGKJOBHTLXOSHI-UHFFFAOYSA-N 376.478 2.805 0 40 GFAB CCCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)nc(O)c2C1 67291740 USTGTSZJQHPGKP-UHFFFAOYSA-N 388.493 2.690 0 40 GFAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 15360723 FGRHDBDZGUERPW-UHFFFAOYSA-N 392.908 2.781 0 40 GFAB CN(Cc1ccccc1)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346729 AGMUGSOCBCKLCO-UHFFFAOYSA-N 382.489 2.565 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 96247036 LGTCEORWSVLHET-DOTOQJQBSA-N 397.818 2.637 0 40 GFAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)NC1CCCCCCC1 96506683 FMGWTSATGBABFT-XMHGGMMESA-N 397.479 2.752 0 40 GFAB CC(C)c1ccc(-c2nnc(NC(=O)CCn3nc(O)ccc3=O)s2)cc1 9765887 KEWAPLVJGNKPKY-UHFFFAOYSA-N 385.449 2.620 0 40 GFAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc(Cl)c(N2CCNC2=O)c1 95403669 DHCSCUXQDZVGHG-MRXNPFEDSA-N 390.915 2.864 0 40 GFAB Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cccc(Nc3cnccn3)c2)CC1 89756800 YDNLBJXRMWCEFK-LJQANCHMSA-N 392.463 2.540 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cn(C)c(=O)c3ccccc13)CC2 524734452 GLJDPSJRPYUHOY-SFHVURJKSA-N 378.428 2.973 0 40 GFAB Cc1c(NC(=O)c2cc3occc3n2Cc2ccccc2F)c(C(N)=O)nn1C 36354811 AHTXQEDGFCTTBN-UHFFFAOYSA-N 395.394 2.815 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1 35312034 WETMHMMBRLTZIN-UHFFFAOYSA-N 376.464 2.504 0 40 GFAB Cn1cc(S(=O)(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)cn1 72363239 JUOOEDRESPDPDQ-UHFFFAOYSA-N 399.476 2.571 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 33626377 XYYYFBRKZOTQIV-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(C)s1 41615955 SQRRKVNBOGKHHV-UHFFFAOYSA-N 399.925 2.755 0 40 GFAB CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1CCCN1c1nc2ccccc2o1 675007678 GVXJKPLJXXFDKX-HNNXBMFYSA-N 388.468 2.828 0 40 GFAB C[C@H](NC(=O)N1CCn2c(cc3ccccc32)C1)c1cccc(S(N)(=O)=O)c1 566536269 JBYGZXDVRBNDOO-AWEZNQCLSA-N 398.488 2.575 0 40 GFAB CC(C)Oc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 223352888 HZYVYIBGKGWEMG-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB Cc1cc(NC(=O)CN(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)no1 46843385 YUIJWKCBABIPAG-NSHDSACASA-N 396.241 2.610 0 40 GFAB CCOC(=O)C1CCN(C(=O)COc2ccc(F)cc2Br)CC1 40159230 CHNPWLLPGNETAF-UHFFFAOYSA-N 388.233 2.769 0 40 GFAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccccc3)S2(=O)=O)c(OC)c1 225949764 CDOSWJPEGIGRTF-LJQANCHMSA-N 390.461 2.641 0 40 GFAB CS(=O)(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1 225950186 HAJUAEUOWRVIDI-QGZVFWFLSA-N 380.897 2.679 0 40 GFAB Cn1cc(S(=O)(=O)N2CCn3c(cc4ccccc43)C2)c(C(F)(F)F)n1 576720954 OEKYEMWCTWYEFA-UHFFFAOYSA-N 384.383 2.598 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N[C@H](C)[C@H]2OCCc3sccc32)c1C(F)F 576963898 YWCUEBDSMZWQIW-NOZJJQNGSA-N 391.465 2.708 0 40 GFAB Cn1nnnc1COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1 96191990 ASOPGTLKQUXWQM-UHFFFAOYSA-N 380.433 2.580 0 40 GFAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(=O)NCc1ccccc1)C2 96296251 DIFLJSYGKATLNA-KRWDZBQOSA-N 392.459 2.957 0 40 GFAB biogenic,in-vitro O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1cc2ccccc2s1 253398021 GKJLBSJPDYNOOG-UHFFFAOYSA-N 378.461 2.869 0 40 GFAB COc1cccc2cc(C(=O)NCCc3nc(-c4ccco4)cn3C)c(=O)oc12 90606989 BMJPWCZYOJXOPT-UHFFFAOYSA-N 393.399 2.768 0 40 GFAB CNC(=O)Cn1ccc2ccc(NC(=O)Cc3nnc(-c4ccccc4)o3)cc21 1633526024 VUNWLTNIMAZRJX-UHFFFAOYSA-N 389.415 2.619 0 40 GFAB Cc1ccc(C(=O)Nc2cccc(CN3CCOCC3)n2)cc1-c1cnn(C)c1 632243363 NXPBKWIXCKNFKA-UHFFFAOYSA-N 391.475 2.875 0 40 GFAB Cc1ccc(OC2CCN(C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)CC2)cc1 654639531 VDKPSUSEWRDAMY-QGZVFWFLSA-N 385.468 2.718 0 40 GFAB Cc1ccc([C@@H]2CCN(S(=O)(=O)c3cnc(C4CC4)s3)[C@@H]2C(=O)O)cc1 585098299 OMDVZGGMRVRWQV-HOCLYGCPSA-N 392.502 2.960 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C)cc3)no2)c1=O 823024287 OWGUVZIFKWYKGK-UHFFFAOYSA-N 376.416 2.980 0 40 GFAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3ccc(Cl)c(Cl)c3)[C@H]3CO[C@@H]2O3)n1 952844629 CKHMMHGQRPANNG-HSFUPAIVSA-N 398.290 2.622 0 40 GFAB biogenic,in-vitro CCOc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 5565178 ASQQKOXUKNTCNF-QFIPXVFZSA-N 393.443 2.655 0 40 GFAB CCCCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(=O)n(C)c(=O)n(C)c21 11845463 NNUKRSIXMXDYLH-UHFFFAOYSA-N 386.427 2.539 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCC2)c(C)n1S(=O)(=O)c1ccccc1 13585986 AIVCRDHHPYNFIV-UHFFFAOYSA-N 382.507 2.517 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 13624159 PWNRLDPQVXUNFA-LAVAIGHBSA-N 379.416 2.525 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 14607414 SGYNYWXMKKYZDQ-BXUZGUMPSA-N 399.274 2.900 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)c(F)c1 16111460 FOXSITUOHMEZFS-UHFFFAOYSA-N 380.423 2.947 0 40 GFAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(C(=O)c4cccnc4)C[C@H]23)cc1 19019390 ALGKFKAGBQLDKU-NJDAHSKKSA-N 379.460 2.567 0 40 GFAB CC(C)(C)c1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)nc2ncnn12 19083881 SWIRZMXKGZEVIN-UHFFFAOYSA-N 398.442 2.650 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210557 JWHVOBLPPCZCFU-PABYOWBDSA-N 392.455 2.685 0 40 GFAB COC[C@H](C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 19456610 XUMKEBQFNJUXBD-AWEZNQCLSA-N 376.428 2.971 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c(C)c1C 19556177 RKZNSZRKKUNESD-KDOFPFPSSA-N 396.539 2.601 0 40 GFAB CC(C)S(=O)(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 19574966 JRQILJIVSYUQED-NTZNESFSSA-N 380.436 2.718 0 40 GFAB Cc1csc2c(=O)n3c(nc12)CCN(Cc1ccc(CN(C)C)cc1)CC3 19240314 QWFWDADNJWZDGH-UHFFFAOYSA-N 382.533 2.886 0 40 GFAB FC(F)(F)c1ccc(N2C[C@H]3CN(c4ncnc5c4CCC5)C[C@H]3C2)nc1 1888853352 JJLWLOXQVLVGGY-BETUJISGSA-N 375.398 2.952 0 40 GFAB COc1ccccc1CC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@H]2C1 1888881989 ISDIDRLQHLLKOS-ROUUACIJSA-N 394.519 2.920 0 40 GFAB CN([C@H]1CCN(c2ncnc3ccccc23)C1)S(=O)(=O)Cc1ccccc1 1888964367 VQJNJNCSVPQZQI-KRWDZBQOSA-N 382.489 2.670 0 40 GFAB COc1cccc2cc(C(=O)NC[C@]3(O)CCCc4sccc43)c(=O)oc12 1889201440 VHZOJNTZKUUANU-HXUWFJFHSA-N 385.441 2.817 0 40 GFAB O=C1C(=O)N(CN2CCN(Cc3ccsc3)CC2)c2c(F)ccc(Cl)c21 26553678 HFFRRGCMJMHKBA-UHFFFAOYSA-N 393.871 2.845 0 40 GFAB C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cn1 39990573 KKTCGPPUXWMXKE-OAHLLOKOSA-N 380.920 2.687 0 40 GFAB Cc1nc(CN2CC[C@]3(C2)CN(C(=O)c2csnn2)CCC3(F)F)cs1 1565553532 CBRKPPXVNTUPKG-HNNXBMFYSA-N 399.492 2.677 0 40 GFAB Cn1cnc(C(=O)N2CC[C@@H](OCc3ccncc3)[C@H](Cc3ccccc3)C2)n1 1565542108 NUBIKAWSGISRJG-WOJBJXKFSA-N 391.475 2.500 0 40 GFAB O=C(CSc1nc(=O)n2ccccc2n1)N1CCC(Cc2ccccc2)CC1 4499718 HLNOMVJGMRAEHS-UHFFFAOYSA-N 394.500 2.663 0 40 GFAB CCS(=O)(=O)c1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)c1 4585850 MYYLPNRLVZYJIY-UHFFFAOYSA-N 380.491 2.770 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342473 HKPCKWWRUAVSCG-UHFFFAOYSA-N 381.476 2.857 0 40 GFAB O=C([C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1)N1CCC(F)(F)CC1 2086884492 AAEGGVQCYKCHPQ-LBPRGKRZSA-N 379.329 2.563 0 40 GFAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cccc(C)c1)CC3 48987822 SDXAOJJCJUORCT-UHFFFAOYSA-N 377.444 2.842 0 40 GFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148883 KOHVDPRSGLIPDP-AWEZNQCLSA-N 387.486 2.804 0 40 GFAB CC(C)N1CC[C@@H](N2CCC(CN(C)c3ncnc(C4CC4)c3F)CC2)C1=O 2298048820 SVIRIIAMYUPLMW-QGZVFWFLSA-N 389.519 2.651 0 40 GFAB O=C([C@@H]1CCCN(CC(=O)N2CCc3ccccc32)C1)N1CCC(F)(F)CC1 2298065290 JLLGSVYJEHSINH-QGZVFWFLSA-N 391.462 2.545 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]32)c1 101352902 YFCBCBBFPDTAFR-RBUKOAKNSA-N 391.431 2.544 0 40 GFAB O=C(N[C@H](Cc1ccn[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2585978 GFIVRGPOWWPVDJ-LJQANCHMSA-N 377.400 2.944 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1OC 3500175 SKIOFFKLMDAOOH-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB O=C1CCCN1Cc1ccccc1CNC(=O)N1CCN(c2ccccc2)CC1 32795625 JQHAWLRWNYDPOS-UHFFFAOYSA-N 392.503 2.841 0 40 GFAB Cc1ccccc1-n1cnnc1SCC(=O)NCC(=O)Nc1ccc(F)cc1 6650404 QDCFMCNLEHGEPI-UHFFFAOYSA-N 399.451 2.562 0 40 GFAB C/C=C/c1ccc(OC[C@H](O)CN(CC)CC(=O)NC(C)(C)C)c(OC)c1 6860006 QOTKFBLCHZSXQV-UGAXZCSASA-N 378.513 2.705 0 40 GFAB Cc1cc(C)nc(SCC(=O)OCC(=O)NCCc2ccc(Cl)cc2)n1 7787050 POASXRCXGPZDHB-UHFFFAOYSA-N 393.896 2.741 0 40 GFAB COc1ccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 11997069 CBVARCRQXPAIDZ-CQSZACIVSA-N 377.466 2.627 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 8223277 HIFDECFISIJBSO-LLVKDONJSA-N 387.288 2.977 0 40 GFAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3C)c(=O)n1C2 8297469 QIODGIINWNJUOT-DLBZAZTESA-N 386.517 2.983 0 40 GFAB biogenic,in-vitro C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 8433782 QTCKFWVSHDRZQC-GOEBONIOSA-N 384.407 2.599 0 40 GFAB COc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475897 OTEPTYYSYFDXTB-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc12 22548931 NKEYRXKLXYPQDX-SFHVURJKSA-N 389.502 2.702 0 40 GFAB O=c1c2ccccc2cnn1CN1CCN(CCOc2ccc(Cl)cc2)CC1 23257626 INLQIEKKRFOJOQ-UHFFFAOYSA-N 398.894 2.704 0 40 GFAB COCc1cccc(C(=O)OCC(=O)c2ccc(CCCNC(C)=O)cc2)c1 23328746 VMPVWWGOWHKBAJ-UHFFFAOYSA-N 383.444 2.941 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)cc1 106143793 PIAKUFKWYZRDCW-MPGHIAIKSA-N 379.526 2.671 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)Cc1ccc(F)cc1 25370955 OGLSHLASIQJBBO-UHFFFAOYSA-N 378.469 2.624 0 40 GFAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1csc(-c2ccc(Cl)s2)n1 57386127 AHQNEGRBQOGLMB-MRVPVSSYSA-N 376.912 2.690 0 40 GFAB COc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1 57486149 IRTKNTFKIRDHGL-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 12559734 CSQUIAZZFRSRCC-UHFFFAOYSA-N 398.532 2.662 0 40 GFAB CCOC(=O)CN1CCC[C@H](OC(=O)[C@@H](C)Oc2ccc(SC)cc2)C1 78989096 MVQFRZHPBMEPSX-ZBFHGGJFSA-N 381.494 2.747 0 40 GFAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1-c1ccccc1 47852866 ZYKBJMYRSVTPEX-KNQAVFIVSA-N 380.488 2.821 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2cccs2)n2nnnc2N3)cc1 10295629 YBWRUJSQGIEUMM-OAHLLOKOSA-N 379.405 2.601 0 40 GFAB Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cn1 78967340 NJRXNMNGCWUSLU-UHFFFAOYSA-N 388.537 2.630 0 40 GFAB CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccn(C(C)C)n3)CC2)cs1 79054023 OAOUGZOEQJBNQS-HNNXBMFYSA-N 391.541 2.976 0 40 GFAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)c1 10586200 IJDCSGZWQBRKBV-UHFFFAOYSA-N 392.415 2.935 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)c2ccccc2O1 10789005 STXIFVHTBFSXMF-INIZCTEOSA-N 395.242 2.912 0 40 GFAB Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1N 409159464 ZZESORSTSIDXGE-UHFFFAOYSA-N 380.886 2.808 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 3307331 GDXOEDVQAMBNMH-IBGZPJMESA-N 390.443 2.886 0 40 GFAB CCn1ccc(-c2cc(C(=O)NC[C@H](C)Cn3cccn3)c3c(C)noc3n2)n1 36618019 OOQANUBADFUGCW-ZDUSSCGKSA-N 393.451 2.677 0 40 GFAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 11486463 IIPKMHYQMNRXCS-UHFFFAOYSA-N 393.415 2.922 0 40 GFAB Cc1ccc(CN(C)C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 12795508 SYYYZYWEBJKJBT-UHFFFAOYSA-N 379.460 2.510 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 12779079 SGJDDCUPQLGIBT-CYBMUJFWSA-N 390.509 2.852 0 40 GFAB Cc1cc(N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)nc(C(C)C)n1 12769640 FOUVETBJVJIVQD-UHFFFAOYSA-N 389.450 2.947 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8165174 NXPSPMJLPRTPGS-UHFFFAOYSA-N 392.908 2.557 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 12985627 ONYYXGIXVGHJLM-AWEZNQCLSA-N 396.443 2.844 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2c(F)cccc2F)c1=O 64604809 WKLHOOQLFOKVSK-UHFFFAOYSA-N 398.369 2.786 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1 28220435 MTWMPVOYUDZELC-UHFFFAOYSA-N 388.424 2.830 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(SC(F)(F)F)cc1 24680716 JMDOHPVSFPAVHU-GFCCVEGCSA-N 396.456 2.842 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 4329000 OCOJMNWPZSFHNH-ZDUSSCGKSA-N 385.420 2.977 0 40 GFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 4334977 ZCPNQXMNRGZWCC-DOTOQJQBSA-N 397.818 2.637 0 40 GFAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)NCc1ccc(Cl)cc1 5218973 FDHWHELPSBIYPF-VWLOTQADSA-N 379.865 2.941 0 40 GFAB COc1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 14000305 NSGVFFPVHZZAQD-KRWDZBQOSA-N 384.432 2.622 0 40 GFAB COc1ccc(CNC(=O)[C@@H](NC(C)=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 5614073 UJUBYKFRNQQIKC-HXUWFJFHSA-N 397.475 2.578 0 40 GFAB O=C(Cc1cnn(-c2ccccc2)c1)NCC(=O)Nc1ccc(F)c(F)c1F 14848478 JCAFXVNJACOZBX-UHFFFAOYSA-N 388.349 2.587 0 40 GFAB COc1ccc(-c2csc3ncnc(NC4CCN(CC(N)=O)CC4)c23)cc1 14855560 SHIIZWSYWVIHRS-UHFFFAOYSA-N 397.504 2.729 0 40 GFAB COc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1OC 5745422 CUHBPSSGDUYJJB-UHFFFAOYSA-N 387.457 2.931 0 40 GFAB CCOc1ccc([C@@H]2NC(=O)NC(CN3CCC(C)CC3)=C2C(=O)OC)cc1 67287152 VWTYLPBJDXELPK-IBGZPJMESA-N 387.480 2.598 0 40 GFAB CCCCN(C(=O)c1ccc(F)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 7007457 UDQLLZAFQDISBN-UHFFFAOYSA-N 376.432 2.505 0 40 GFAB O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccccc1 7070937 KGQREJNOKMICTA-UHFFFAOYSA-N 386.517 2.940 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 15316515 VROFDQAZERRLBW-YVCJNRQBSA-N 387.530 2.788 0 40 GFAB COc1ccc(OC)c([C@H](C)N[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 15509716 CHCPQDXNCVSGNE-KBPBESRZSA-N 383.448 2.728 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 8708104 PSEKRTAOAQOFPQ-HNNXBMFYSA-N 389.477 2.712 0 40 GFAB Cc1ccc(NC(=O)CSc2nc3ncccn3n2)c(Br)c1 8980876 RIZCLNIGDFOASA-UHFFFAOYSA-N 378.255 2.926 0 40 GFAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N([C@@H](C)c2ccccc2)C1=O 9360337 XDGXVRUBBCIVRT-OYHNWAKOSA-N 377.444 2.813 0 40 GFAB biogenic Cc1nc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)nn1-c1ccc(F)cc1 9450071 MCPWNQKTXUJFKU-KRWDZBQOSA-N 383.427 2.875 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)cn1 95993117 VHCHUUAXFIZXLU-GFCCVEGCSA-N 390.369 2.992 0 40 GFAB O=C(CN1CCCSCC1)Nc1cc2c(cc1Br)OCCO2 89762017 VFXLGCCCEPIPFP-UHFFFAOYSA-N 387.299 2.598 0 40 GFAB O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 28052727 BRZHZGJSTOEJLF-UHFFFAOYSA-N 376.453 2.550 0 40 GFAB CCC(=O)N1CCC[C@@H](C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)C1 551306060 ZSLHPSYAJVYPFE-OAHLLOKOSA-N 379.451 2.652 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)N(C)C)c1 20244695 AGZPIXMAIKYBBQ-UHFFFAOYSA-N 383.558 2.713 0 40 GFAB CCCc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 36700137 AAUMCZBADPAJHY-NRFANRHFSA-N 388.533 2.991 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1 408602222 IKDRWZVOKMFJKM-CQSZACIVSA-N 392.477 2.708 0 40 GFAB c1cncc(CN(CCCN2CCOCC2)Cc2ccnn2[C@H]2CCCCO2)c1 36740089 MJCHKRVRGOQBQW-JOCHJYFZSA-N 399.539 2.702 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3cnn(CC)c3)n2C)cc1 32604062 JVWWLGMYNALQDN-UHFFFAOYSA-N 386.481 2.828 0 40 GFAB COc1ccc(C(=O)Cn2cnc3c(cnn3Cc3ccccc3F)c2=O)cc1 36662971 OVSUAVLSGXPVFW-UHFFFAOYSA-N 392.390 2.672 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903524 DMIAXVMPLIKWKA-KRWDZBQOSA-N 389.459 2.655 0 40 GFAB CCc1nnc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2N)s1 36636109 LFAFGBFVYOIKOH-UHFFFAOYSA-N 383.359 2.535 0 40 GFAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4cnn(C)c4)C3)n2)c1 72359772 UTPFDVMCLGIBDR-MRXNPFEDSA-N 377.448 2.906 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)c1 44760784 FMAWNEGRGROCDP-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CCCN(c2ccccc2F)C1=O 570264283 AYDDWXWDZHRVFP-RBUKOAKNSA-N 396.466 2.507 0 40 GFAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 44948581 IHWJLTHAMFANQE-QGZVFWFLSA-N 393.553 2.746 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222485203 TXQNMUOQBMATQE-KRWDZBQOSA-N 396.487 2.862 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2c(C)cccc2C)NS(C)(=O)=O)cc1 225955325 LNILTFRFSUPFMI-KRWDZBQOSA-N 376.478 2.931 0 40 GFAB CCc1cc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)ccc1OC 223711612 OPOKEDRGQOGFHQ-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224970932 YLTZGIQTSXCYRM-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1 40104151 FQBVVURJYISBPM-OAHLLOKOSA-N 383.448 2.732 0 40 GFAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)c(C)c1 225417969 VMJQTIWBNCNNDV-QGZVFWFLSA-N 376.478 2.793 0 40 GFAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2ncn(C(C)C)c(=O)c2c1 95480720 ZKHWWPSJWDWHLQ-UHFFFAOYSA-N 396.447 2.572 0 40 GFAB CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn23)CC1 96155963 RGCLMVJUWWVKRH-UHFFFAOYSA-N 390.487 2.580 0 40 GFAB COC(=O)c1nc(NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)sc1C 95480182 LZBBUUFXLCREBQ-OAHLLOKOSA-N 387.461 2.857 0 40 GFAB CCOc1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 242805435 FGISRGHEYJSIPC-UHFFFAOYSA-N 390.461 2.693 0 40 GFAB CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccc(OC)cc2)on1 257322282 WFHSYKDMWOPJKA-QUCCMNQESA-N 385.464 2.862 0 40 GFAB C[C@@H]1[C@H](NC(=O)NC[C@@H]2Cc3ccccc3CO2)CC(=O)N1Cc1ccccc1 623994767 CKQXEBOLFNUYJU-TYCQWZJGSA-N 393.487 2.617 0 40 GFAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 1137848790 RRNFSDKHFUYZMX-BXTJHSDWSA-N 382.501 2.918 0 40 GFAB O=C(Nc1cccc(CNC2CCN([C@@H]3CCOC3)CC2)c1)c1ccncc1 655697814 TVUOPOHBFMIHGW-OAQYLSRUSA-N 380.492 2.677 0 40 GFAB CCS(=O)(=O)Cc1ccc(NC(=O)N2CCC(CCC(=O)O)CC2)cc1 656603282 DFUCQYJUKNSLRH-UHFFFAOYSA-N 382.482 2.730 0 40 GFAB C[C@H](C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1)c1ccccc1 575414180 IXKZZWPFWLKWJA-INIZCTEOSA-N 399.516 2.982 0 40 GFAB CC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 585284230 VWDRGDOXPCPPSE-OAQYLSRUSA-N 378.488 2.741 0 40 GFAB CCC1(N2CCOCC2)CCN(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 685939067 KTJZQFGLFZSMKN-AEFFLSMTSA-N 375.916 2.978 0 40 GFAB Cc1ccc(CCC(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)o1 1615120411 LDZCWLMTKCGBQY-JOCHJYFZSA-N 382.460 2.945 0 40 GFAB O=C1N(c2ccccc2)Cc2nn(Cc3ccc(Br)cc3)c(=O)n21 1547200932 OWNPKPYFKOUWGV-UHFFFAOYSA-N 385.221 2.844 0 40 GFAB Cc1ccn2cc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)nc2c1 11077422 CDMDGDUPVLVNOA-UHFFFAOYSA-N 378.480 2.827 0 40 GFAB O=c1c2sccc2ncn1C[C@H](O)COc1cccc(Br)c1 15544263 IDCQQZWVKLSKEB-NSHDSACASA-N 381.251 2.660 0 40 GFAB Cc1ccc2oc(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)cc2c1 19709274 UNSCLXHBTLAHJQ-INIZCTEOSA-N 393.491 2.840 0 40 GFAB Cc1nc([C@H]2CCCCN2Cc2ccccc2)ncc1C(=O)N1CCOCC1 19751879 OGFLOJRLBSMCBJ-HXUWFJFHSA-N 380.492 2.985 0 40 GFAB C[C@H](CCc1ccc(O)cc1)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220685 DYCPOVOJUIYTOR-VVWXKSFDSA-N 393.487 2.786 0 40 GFAB Cn1cc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cn1 12365966 NZLSNWAXKIKPAO-SFHVURJKSA-N 388.493 2.611 0 40 GFAB Cc1nnsc1C(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889122791 ILBIIAHXALHNMX-CMPLNLGQSA-N 383.399 2.611 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 2056223669 ZKXMMGQVKIOKJX-QFIPXVFZSA-N 381.524 2.950 0 40 GFAB O=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccccc1 4717393 UPCORIDIQFBIEX-UHFFFAOYSA-N 375.354 2.718 0 40 GFAB CN1CCOc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1=O 8961543 ZLOFDMDFBLKJEY-UHFFFAOYSA-N 384.816 2.744 0 40 GFAB O=c1ccc(-c2ccccc2F)nn1Cc1nc(-c2ccc3c(c2)OCO3)no1 23126825 BFPIZCBXAZACPB-UHFFFAOYSA-N 392.346 2.876 0 40 GFAB O=c1[nH]c2cc(S(=O)(=O)N3CCS[C@@H](c4ccccc4)CC3)ccc2o1 208045248 YDQIROJHTCBWFY-QGZVFWFLSA-N 390.486 2.990 0 40 GFAB CC(C)c1cc(=O)n(CC(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cn1 38735973 LKZQJAVMMYIWCT-UHFFFAOYSA-N 395.488 2.975 0 40 GFAB Cc1cccc(NC(=O)C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)c1C 575612102 KGSRZZDFCBZNAP-HSZRJFAPSA-N 396.487 2.673 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(C)cc1 23873694 PXCGUNMPOADJKU-LJQANCHMSA-N 378.432 2.669 0 40 GFAB CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 40057560 AMYVTZAAIKPSRX-GASCZTMLSA-N 396.509 2.785 0 40 GFAB Cc1scc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 20343459 JCXJJLMOISLGPQ-UHFFFAOYSA-N 393.534 2.553 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)CC1 2595362 QKBWWJFUEOVLFT-UHFFFAOYSA-N 381.476 2.989 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccccc2F)NC(=O)N3)cc1 11665690 JMZBHXLIIDGABD-LJQANCHMSA-N 381.407 2.527 0 40 GFAB CC[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O 1361955 UTNCZQVDMMMPIF-IBGZPJMESA-N 397.450 2.679 0 40 GFAB O=C(CCSc1nnc2ccccn12)N1CCN(c2ccc(F)cc2)CC1 32777073 VPKBRQVZSHRCSZ-UHFFFAOYSA-N 385.468 2.699 0 40 GFAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)NCCCc2ccccc2)cc1 4895044 GJUNFBCIOMLXTM-HHHXNRCGSA-N 386.517 2.685 0 40 GFAB aggregator COC(=O)/C=C1/CC[C@@H]2[C@H](C(=O)C[C@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]23C)[C@H]1C 104222729 CFNLOOTYKUBPGV-GXZSZENRSA-N 392.492 2.677 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 7054885 UGMZKHIHBSAZAC-UHFFFAOYSA-N 394.518 2.663 0 40 GFAB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 7939456 HKBZBJXZRMLNPV-QTUASDBPSA-N 382.460 2.839 0 40 GFAB CN1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[C@@H]1c1ccccc1 12296627 CRTKFYNHSTYBSF-HIUFNZKISA-N 383.536 2.977 0 40 GFAB biogenic CCOC(=O)c1c(NS(=O)(=O)c2cn(C)nc2C)sc2c1CCCC2 2804112 SXRKFANRMGZPLA-UHFFFAOYSA-N 383.495 2.646 0 40 GFAB CCCCSC(Nc1ccc(OC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973910 ALJSOGKEMOFNRG-UHFFFAOYSA-N 377.466 2.902 0 40 GFAB Nc1nc(COC(=O)c2ccc(F)cc2N)nc(Nc2ccc(Cl)cc2)n1 23198323 HRJPGARKXYRDRT-UHFFFAOYSA-N 388.790 2.929 0 40 GFAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCNC3=O)ccc12 61720025 CCGUIARFTLSKPM-UHFFFAOYSA-N 392.411 2.623 0 40 GFAB O=C(CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)N1CCOCC1 25033307 MNVADUHSLBTQDR-UHFFFAOYSA-N 379.913 2.988 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2cccc(F)c2)CC1 35264449 WWPXPPHPLHVNSH-UHFFFAOYSA-N 383.467 2.768 0 40 GFAB C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccc(-n2ccnc2)cc1 12550674 RSUXPOYYSJJJRQ-ZDUSSCGKSA-N 383.839 2.528 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472823 KTCIYEKMOXTLRF-UHFFFAOYSA-N 399.878 2.733 0 40 GFAB CCN(C(=O)[C@H](C)Nc1ccc2c3c(cccc13)CC2)[C@H]1CCS(=O)(=O)C1 12563367 OUSGVOISFHVLSQ-YOEHRIQHSA-N 386.517 2.774 0 40 GFAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccc(O)c(OCC)c1 107601141 ONNDZHDPPIBKAV-INIZCTEOSA-N 376.434 2.614 0 40 GFAB Cc1noc(C)c1CN1CC[C@@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 107231585 GZOAZYFVOXEUOU-OYHNWAKOSA-N 396.491 2.932 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cn1 58391776 KQLKEJNCXDBBPJ-GOSISDBHSA-N 389.459 2.605 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1)C(C)C 20745017 PTTBSFBTTSPVPR-DOTOQJQBSA-N 390.871 2.918 0 40 GFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NCc1ccc(Cl)cc1Cl 36395140 LRKHDZXJIFGGJL-UHFFFAOYSA-N 396.274 2.661 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)NCc1coc(-c2cccs2)n1 10880804 MEEOUDHCIGXMBJ-UHFFFAOYSA-N 388.474 2.845 0 40 GFAB CC(=O)Nc1ccc(CC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 10901032 QZEMSBOBAAXQGG-UHFFFAOYSA-N 381.476 2.683 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)C1=Cc2cc(Cl)ccc2OC1 11153470 YNEPOYOGBOSKEJ-UHFFFAOYSA-N 385.851 2.664 0 40 GFAB CNC(=O)c1cccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 45684878 FPPNPGZUOCMKMQ-UHFFFAOYSA-N 394.475 2.607 0 40 GFAB Cc1cccc(NC(=O)C2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)n1 48289298 SBNSPISROJQCHO-UHFFFAOYSA-N 397.504 2.619 0 40 GFAB C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1cccc(Cl)c1 12750881 GEDFIRQERSJYAM-GFCCVEGCSA-N 391.880 2.646 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)c1 12816410 CSDWINVWHGFLRP-UHFFFAOYSA-N 390.386 2.895 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CCc4ccccc43)C(=O)[C@@H]2C)cc1 12867100 XQIXXKODWRQEAA-KXBFYZLASA-N 377.444 2.956 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccccc1 20014562 KELAHBGELUCGJD-HNNXBMFYSA-N 376.478 2.583 0 40 GFAB Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 12997400 DSMWPSHDKGQUHB-UHFFFAOYSA-N 379.504 2.937 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 5399341 HNBLHOJYYRDKST-UHFFFAOYSA-N 395.390 2.865 0 40 GFAB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc2c(c1)OCCCO2 5530664 YYHMUWYPACUNMQ-UHFFFAOYSA-N 383.433 2.759 0 40 GFAB COc1ccccc1Nc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s1 6650516 ASBSTRZTWLNKQD-LLVKDONJSA-N 381.483 2.602 0 40 GFAB CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)C[C@@H]2C=CCC2)CC1 66550144 QBAGBIPUPPSKNA-LJQANCHMSA-N 391.556 2.736 0 40 GFAB CC(C)n1nccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6882220 FDPBNULPRVCPMR-HNNXBMFYSA-N 396.900 2.909 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 9164643 MBKKCNVGUBEVSA-QGZVFWFLSA-N 394.406 2.658 0 40 GFAB CCCc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@]3(CCCNC3=O)C2)cc1 306127839 GIVCOJBHBANCNM-KRWDZBQOSA-N 386.464 2.565 0 40 GFAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCCN1CCCC1=O 7737678 YIKWIFVVCWMZCH-UHFFFAOYSA-N 394.884 2.611 0 40 GFAB C[C@@H](C(=O)NC1CCCCC1)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 8324002 XKAYZAPDDOCBIR-RCDICMHDSA-N 383.492 2.780 0 40 GFAB CC(=O)N1CCCCC[C@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 71889289 OZMGHVLMYYTCNX-NRFANRHFSA-N 392.565 2.963 0 40 GFAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)c1 78953828 ATKHSTDXEWXJMP-UHFFFAOYSA-N 379.344 2.650 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 84200427 VLMQTZMMCDWXQF-CQSZACIVSA-N 391.493 2.891 0 40 GFAB CC[C@@H](NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1cnn(CC)c1 72314306 WKJURVAATBUCIC-GOSISDBHSA-N 385.468 2.648 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)NCC2([C@H](C)CCO)CCC2)cc1 95987441 SUXOHQYDFBYQCZ-CQSZACIVSA-N 383.514 2.759 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 113940152 FLEKKSLRNLYZGE-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB COC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCC2 408630110 NTUDHVKBFJJUIO-UHFFFAOYSA-N 395.458 2.595 0 40 GFAB CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1cnn(C)c1 500728359 ZNQWYYMCGPCKCT-GHTZIAJQSA-N 398.482 2.752 0 40 GFAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562111 XWEMPBGHULIKEE-STQMWFEESA-N 388.917 2.664 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218526835 DFNOHQDZDNWXQD-AOIWGVFYSA-N 393.892 2.788 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70762654 ATJCZTNOVYZSKO-OAHLLOKOSA-N 377.359 2.863 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3)n2)c1 72358241 RXOLJGNFTMTIGX-IBGZPJMESA-N 382.489 2.932 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 72376010 CUVPEHYYIWWRLQ-MRXNPFEDSA-N 389.525 2.986 0 40 GFAB CCOc1cccc2c1OCC(C(=O)NCC(=O)Nc1cc(C)ccc1OC)=C2 40132787 AEEHWHAZODFERM-UHFFFAOYSA-N 396.443 2.933 0 40 GFAB CCCC[C@H](CC)CNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223989436 LGPGFZPUGTZGJJ-HNNXBMFYSA-N 398.525 2.556 0 40 GFAB COc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906452 XWCMHOJTHJGXIO-INIZCTEOSA-N 399.520 2.513 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(C)cc1 225146931 WFAWXNMZPKFRIX-UHFFFAOYSA-N 390.505 2.503 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 223276513 OKIAOXSERKBSNI-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccc(CN2CCOCC2)c1 47227924 SZKQNMCQZZYXAQ-FNORWQNLSA-N 380.444 2.577 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223610470 YDVXHZNPTKMEKG-WOJBJXKFSA-N 393.516 2.681 0 40 GFAB CN(C)c1cnnc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 224308433 JKQLYNCOXMHRTD-UHFFFAOYSA-N 379.386 2.524 0 40 GFAB COCCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Br 227159370 YDLGDTWXLVNFDK-GFCCVEGCSA-N 382.258 2.555 0 40 GFAB O=C1NCCN(C(=O)c2cc3n(n2)CCCC3)[C@H]1c1ccccc1C(F)(F)F 581232097 LXWGTCLGXVCXCU-INIZCTEOSA-N 392.381 2.552 0 40 GFAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(-n2cnnn2)ccc1Cl 95480954 FDLCHFOXWAHSQR-UHFFFAOYSA-N 381.827 2.555 0 40 GFAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)n1 257306331 STVVEADEIIMYAG-HNNXBMFYSA-N 386.843 2.962 0 40 GFAB COc1ccc(-c2nc3sc(=Cc4ccc(C)cc4)c(=O)n3n2)cc1OC 254762507 CMJRDLOUZYHSCJ-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2Cl)CC1 585122761 XGRPZLJIIICBQC-UHFFFAOYSA-N 396.882 2.710 0 40 GFAB O=C(O[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccn1)c1ccco1 257235526 GYFDTXGFQUGAST-GOSISDBHSA-N 380.356 2.618 0 40 GFAB CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CC[C@@H]3CCc4ccccc43)[C@@H]2C1 641395207 PFTPVDYNFMPFBS-CUDHKJQZSA-N 379.522 2.705 0 40 GFAB NC(=O)C1CCC(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)CC1 654470194 AFWNCZUABIPHPH-UHFFFAOYSA-N 381.480 2.563 0 40 GFAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575426310 QXPLXKJKLLWUIR-GXTWGEPZSA-N 379.931 2.625 0 40 GFAB O=C(c1cnc2ccccn12)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575403035 HSIVXJUCZSAUJT-MRXNPFEDSA-N 380.473 2.646 0 40 GFAB CCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 575421874 SJEWPVKQVJFLPM-SFHVURJKSA-N 393.530 2.627 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1C 65517937 POEFODJYPJMHLJ-UHFFFAOYSA-N 386.429 2.896 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154516 FRVFIWHBIVLHSQ-QFIPXVFZSA-N 398.434 2.629 0 40 GFAB CC(=O)NC1(c2ccccc2F)CCN(CC(=O)N2CCC(C)CC2)CC1 12113165 RLWVWZSDLFVKKT-UHFFFAOYSA-N 375.488 2.511 0 40 GFAB O=S(=O)(Nc1ccccc1F)c1ccn(S(=O)(=O)c2ccccc2)c1 13585704 XRAFVAPIAXEHRV-UHFFFAOYSA-N 380.422 2.665 0 40 GFAB COC(=O)c1cc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc(C(=O)OC)c1 14360968 CEKLEFBRCPHBOJ-UHFFFAOYSA-N 395.415 2.865 0 40 GFAB Cc1[nH]c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1C(=O)OC(C)C 15760547 NYRJABZNETVSJJ-UHFFFAOYSA-N 396.447 2.705 0 40 GFAB COc1ccc(N2C(=O)CS[C@]23C(=O)N2CCCc4cccc3c42)cc1OC 17081023 BXQFMGFAUAHKKR-OAQYLSRUSA-N 396.468 2.929 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19209103 XWKQYSFFCKQMDI-KCXPTXFHSA-N 396.418 2.516 0 40 GFAB O=C(CN1CCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19369312 MLLHJOSMVFRASU-IBGZPJMESA-N 380.492 2.533 0 40 GFAB CC(C)c1nc2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc2n1C 19453805 QOELGNYXTXIOGR-UHFFFAOYSA-N 397.479 2.890 0 40 GFAB Cc1ncncc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19552947 BFXYQVWBTYKACU-CYBMUJFWSA-N 381.461 2.617 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3sc(C)nc3C)ncc2C1 19560130 UTCYGTOKEPMWDA-KRWDZBQOSA-N 399.520 2.822 0 40 GFAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccc1F)CN(C(=O)c1ccccc1)C2 19696308 DDIZFXUMBVRXPG-GOSISDBHSA-N 392.434 2.615 0 40 GFAB COc1ccc([C@@H]2C[C@H]3NC(=O)CCC[C@@H]3N2C(=O)Cc2ccccn2)cc1 19713460 KSHQNHRBMNANQZ-AABGKKOBSA-N 379.460 2.644 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 19929743 CDACGVORJAQUKJ-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)CC[C@H]4CCCO4)nn3cn2)cc1 12085206 BTKQKWUUAAPTOK-WMLDXEAASA-N 395.463 2.936 0 40 GFAB Cc1nnc(SCC(=O)NCCn2c(C(F)(F)F)cc3cccnc32)o1 12337317 SFPLYKFHLSUIMD-UHFFFAOYSA-N 385.371 2.655 0 40 GFAB FC(F)(F)c1cccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 1888899286 JUYBRNGIOIYXHM-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccc(OC)c(OC)c1 14382047 WHDJDXIFZQURCL-MRXNPFEDSA-N 395.415 2.681 0 40 GFAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cccc2c1OCCO2 244914809 BEVMBZUDNNVMKO-UHFFFAOYSA-N 393.428 2.554 0 40 GFAB COc1ccc(C)c2sc(N3CCN([C@@H](C)C(=O)NC(C)C)CC3)nc12 2087056944 KIIUBJZFATYKIU-AWEZNQCLSA-N 376.526 2.648 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 5298842 BJQNFQKGTZWQMI-HNNXBMFYSA-N 378.475 2.743 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)cc1OC 7387983 QPZOIZBQVKNTPP-UHFFFAOYSA-N 394.478 2.635 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864217 FBPBZHMMLLZQCD-QGZVFWFLSA-N 387.505 2.957 0 40 GFAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)nn1 9626721 IEUMOQFUUQVQAE-UHFFFAOYSA-N 385.420 2.867 0 40 GFAB CC(C)c1ccc(OCC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250884 ZCLMGTMFNQQGLG-UHFFFAOYSA-N 383.452 2.621 0 40 GFAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(CC1CCCCC1)C2 2055812504 CSOXSMVDTNJDNA-FQEVSTJZSA-N 375.538 2.968 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)cc1 618256683 VVBRAYUFZYITRR-ZDUSSCGKSA-N 396.534 2.917 0 40 GFAB COc1ccc(C(=O)NCCn2cc(SCC(N)=O)c3ccccc32)cc1 4060992 DMUNVSMIAHRTDG-UHFFFAOYSA-N 383.473 2.657 0 40 GFAB COC(=O)c1oc(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1C 40086062 ZQNZLIUPNOXJTD-ZDUSSCGKSA-N 383.491 2.625 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 20060400 IUGAOIZUNQYHHN-QZTJIDSGSA-N 379.489 2.970 0 40 GFAB CNC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 40130564 MVTCVBZOAKHPRJ-UHFFFAOYSA-N 398.444 2.838 0 40 GFAB Cc1cc(C)n2nc(SC[C@H]3CSc4nnc(-c5ccncc5)n43)nc2n1 30787545 PWAYUCBIKNULDM-ZDUSSCGKSA-N 396.505 2.834 0 40 GFAB CN(CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2)C(=O)c1cccs1 46353404 AJSZPQSBNFLMMQ-AWEZNQCLSA-N 387.509 2.502 0 40 GFAB NC(=O)NCCCC(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 32754779 KHBNPIUEVFOSQW-UHFFFAOYSA-N 399.491 2.989 0 40 GFAB CCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 6709255 UZGRSLLXQLUBDR-ZDUSSCGKSA-N 392.477 2.572 0 40 GFAB O=C(NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 100583631 AKBAWETZQQHGRJ-TZMCWYRMSA-N 387.892 2.636 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1 2710361 HALFMTKKIZYOFR-UHFFFAOYSA-N 390.490 2.878 0 40 GFAB COc1cc(COC(=O)CNC(=O)NCc2ccccc2)ccc1OC(F)F 22003374 DQARKEYDQVCZIW-UHFFFAOYSA-N 394.374 2.839 0 40 GFAB O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)Nc2nncs2)CC1 47320591 UJQYBUZXATZOAA-UHFFFAOYSA-N 381.845 2.780 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCC[C@H]2CCCC[C@@H]21 22803809 PEVHDGBCKAYQGX-IRLDBZIGSA-N 397.563 2.920 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1F 22526768 XRMUYXPXZCOWPN-UHFFFAOYSA-N 385.848 2.731 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-n2ccnc2)cc1 24050011 XROMARMUOLOODQ-UHFFFAOYSA-N 380.423 2.790 0 40 GFAB OCCn1c(CSc2nnnn2-c2ccccc2)nc2ccc(Cl)cc21 12548900 JVNZQPFCSUQFOL-UHFFFAOYSA-N 386.868 2.950 0 40 GFAB COc1cccc([C@@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)c1 10297625 VTGHVYVCIOOPPG-OAHLLOKOSA-N 379.405 2.601 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1 3274833 UOXNWBNMDXGXIE-UHFFFAOYSA-N 395.444 2.585 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491660 NKHAOFZIJCKKDL-UHFFFAOYSA-N 391.880 2.736 0 40 GFAB CC(C)(C)c1nn(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(=S)[nH]1 26643467 HQTJBUXIKQUYEE-UHFFFAOYSA-N 377.489 2.793 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1CCO 67300285 GLQMHBDQASFVIY-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccccc1F 22335154 FDFQHWVFARPPDV-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB Cc1cccc(C)c1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O 20237589 MNNXGKONNMSGDQ-UHFFFAOYSA-N 392.546 2.978 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 24345410 TUTQAYFMDYRCFE-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB CCN(CC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 2107001 DYHWWMWUDDFWMO-IBGZPJMESA-N 396.535 2.730 0 40 GFAB biogenic Cn1cnc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1Cl 27959405 DUOBPUSKEPXYPI-NSHDSACASA-N 375.903 2.505 0 40 GFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)no1 36408800 ZYOBEOFACDBHJL-UHFFFAOYSA-N 384.480 2.677 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 22423908 CEDMVENRZBHPKE-FQEVSTJZSA-N 395.459 2.921 0 40 GFAB COc1cc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)ccc1N1CCCC1=O 11446325 NPVAGWBIDIONPA-OAHLLOKOSA-N 395.459 2.887 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cccc(Cl)c1 22330844 KXUDJWJMXMYYIC-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 12874486 XCPUCURXPLNURR-GOSISDBHSA-N 393.443 2.703 0 40 GFAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 3479033 NPDVHFJUIMGRQV-UHFFFAOYSA-N 392.452 2.716 0 40 GFAB O=C(OCC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccc(O)cc1O 12939074 FOXBKHVCLQOPJZ-UHFFFAOYSA-N 396.399 2.553 0 40 GFAB Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)n1 13075273 LRCXYBKCWHYNGT-BETUJISGSA-N 395.506 2.502 0 40 GFAB CN(CCOc1cccc(Cl)c1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 26553459 WPHGSLWAQWCJQY-SFHVURJKSA-N 385.855 2.648 0 40 GFAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)NCc1ccc2c(c1)OCO2 13551251 GALDBWDKQKBGBN-UHFFFAOYSA-N 391.840 2.534 0 40 GFAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCOC(C)=O)c2c1 6076987 MZLZUHHRVKAQSQ-UHFFFAOYSA-N 388.420 2.953 0 40 GFAB C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccccc1 4284948 UAYKHNMTGLYODT-QMHKHESXSA-N 391.471 2.690 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1NC(C)=O 408585611 GZBMBPABOOAQBB-UHFFFAOYSA-N 392.477 2.873 0 40 GFAB CCc1ccc(-c2nc(C)c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)cc1 14246828 NPVKOVVITLIZCU-HNNXBMFYSA-N 378.519 2.940 0 40 GFAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NC1CCCC1)CCS3 5484439 VQRAJQISSBHQAS-UHFFFAOYSA-N 398.488 2.524 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)NCc3cn4cc(C)ccc4n3)CCC2)cc1 65895449 GBYWOWHUJHCTFZ-UHFFFAOYSA-N 397.500 2.964 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc(OC)c(OC)c1 14382049 WHDJDXIFZQURCL-INIZCTEOSA-N 395.415 2.681 0 40 GFAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccc(OC)c1 4736041 RIPSZRALRKHDJG-UHFFFAOYSA-N 390.494 2.864 0 40 GFAB COc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)c1 6753196 DAWXHLUMXXFTBX-FQEVSTJZSA-N 379.416 2.637 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 6822542 DWMBROSLKFIODS-QGZVFWFLSA-N 389.477 2.581 0 40 GFAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3)n2)cc1OC 4943616 HHAQMBDYEUZECX-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 8890305 MSCQQMYJPZEHTK-JOCHJYFZSA-N 391.427 2.611 0 40 GFAB Cc1sc2ncn(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(=O)c2c1C 7383400 AKJYBXBBAJOHDP-GFCCVEGCSA-N 399.472 2.723 0 40 GFAB CCNC(=O)N1CCN(C(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC1 68251846 JVDWAMDEOCJMKY-UHFFFAOYSA-N 390.871 2.627 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NC1CCCCC1 71284199 AJOFJDPQTQIMMC-UHFFFAOYSA-N 378.904 2.621 0 40 GFAB O=C(NCc1nnc2ccccn12)c1ccc(NC(=O)c2cccs2)cc1 8131910 OVXNVPKXQLVGFN-UHFFFAOYSA-N 377.429 2.973 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 84129097 MPUWRLCVMLIDSH-ZBFHGGJFSA-N 397.541 2.715 0 40 GFAB CCn1c(SCC2=NNC(=O)c3ccccc3O2)nnc1-c1ccncc1 19825305 ZSSLIWHMEYQGHW-UHFFFAOYSA-N 380.433 2.588 0 40 GFAB COc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2OC)c(OC)c1 21595273 MARJWSGOGHQDPI-UHFFFAOYSA-N 376.434 2.848 0 40 GFAB COc1ccnc(N2CCN([C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)n1 98134085 KDOUAXLINXYWCK-CQSZACIVSA-N 398.442 2.866 0 40 GFAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C1CCN(Cc2csc(C)n2)CC1 79072392 ZRLBBZUGUWXFKJ-MSOLQXFVSA-N 393.553 2.902 0 40 GFAB CC(=O)c1c(F)cc(F)cc1OCc1nnc2n(C)c(=O)c3sccc3n12 79024247 ZHKFFHCKKYUTEO-UHFFFAOYSA-N 390.371 2.703 0 40 GFAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cnn(C)c2)cs1 95961215 PLJSJYFLYVQCRP-UHFFFAOYSA-N 390.490 2.980 0 40 GFAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2ccc(F)c(F)c2)c1O 1547205777 FMVYEYKCYJCTQM-CQSZACIVSA-N 395.402 2.872 0 40 GFAB COCC(=O)N[C@H]1CCCC[C@]12CN(Cc1cc(-c3ccccc3)on1)CCO2 306143298 XYBZVRCLZGGZAP-UNMCSNQZSA-N 399.491 2.618 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 518905841 YINVAJSSMUBSMF-MKVSYHDVSA-N 384.929 2.668 0 40 GFAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(CC(=O)NC(C)(C)C)CC1 72348315 RIUAKLOKACSSHF-UHFFFAOYSA-N 388.899 2.820 0 40 GFAB Cc1cc2c(cc1CN1CCc3nc(-c4ccccn4)nc(O)c3C1)OCO2 72339900 JKUBUSHINNTTBW-UHFFFAOYSA-N 376.416 2.840 0 40 GFAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)nc(N2CCOCC2)n1 72391751 WYQYDCRGIOOUIW-KRWDZBQOSA-N 382.464 2.654 0 40 GFAB O=C(CCn1ccc2c(Br)cccc21)NCCCN1CCOCC1 40267411 FGBBZHLLKNCJGV-UHFFFAOYSA-N 394.313 2.632 0 40 GFAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 223460659 BYLQPDVSPDAOHZ-GOSISDBHSA-N 384.476 2.670 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)Cc1ccccc1Cl 224182816 JJBSPLMTWHGTJU-UHFFFAOYSA-N 394.924 2.851 0 40 GFAB Cc1ccc2nc(C3CN(C(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)C3)[nH]c2c1 77099561 QWBCHYQPGRUEPC-AWEZNQCLSA-N 392.434 2.989 0 40 GFAB CN([C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)S(C)(=O)=O 225239459 SUGFXCWNTHBHTA-ZVQXUQNISA-N 376.522 2.704 0 40 GFAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 225560761 XGJNDYYERJBEFH-LJQANCHMSA-N 388.489 2.589 0 40 GFAB CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1ccc(Cl)cc1 224343216 GADUYWWVIFUEMN-UHFFFAOYSA-N 381.889 2.597 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccccc1F 96520153 INGYHKOWESSLIW-UWVGGRQHSA-N 392.617 2.621 0 40 GFAB Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)o1 96050106 HQHGBTNPIIDHCJ-UHFFFAOYSA-N 388.537 2.662 0 40 GFAB Cn1ccc2cc(C(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)ccc21 96115140 RRNGLGZNZVUWDH-IBGZPJMESA-N 388.427 2.987 0 40 GFAB biogenic Cc1cc(OC2CN(C(=O)Cc3c[nH]c4ccccc34)C2)cc(=O)n1C1CC1 252480102 BVNCCEZAIJWMOY-UHFFFAOYSA-N 377.444 2.805 0 40 GFAB CNC(=O)c1sc2nc([C@]3(C)CCCN(c4ccncn4)C3)ccc2c1N 257296003 RAUODEKEGKQFEA-LJQANCHMSA-N 382.493 2.586 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3cccnc3N2)o1 253596203 OJUWJIOYUHTATG-PRNOIYLJSA-N 394.475 2.977 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)ccn1 257243651 IHYBEMFFKQODMO-OAHLLOKOSA-N 395.438 2.978 0 40 GFAB CC(=O)Oc1cccc(C=c2sc3nc(-c4ccc(Cl)cc4)nn3c2=O)c1 254826750 ZBWKAZSWDPXUKG-UHFFFAOYSA-N 397.843 2.944 0 40 GFAB Cc1ccc(CN(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 260746166 SXLRPAGUCSBJEE-FQEVSTJZSA-N 386.517 2.950 0 40 GFAB COc1cccc(Nc2nnc(-c3sc(N4CCOCC4)nc3C)n2C)c1 290275514 UVSJMLFKFGFDIG-UHFFFAOYSA-N 386.481 2.836 0 40 GFAB CC(C)Cc1cc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc(O)n1 617111252 MHBDNPBQVQTBML-UHFFFAOYSA-N 375.513 2.607 0 40 GFAB CC(C)c1ccc2ncnc(N3CCO[C@H](CN(C)c4cccnn4)C3)c2c1 663732511 UHMJPQCUTJHFSI-QGZVFWFLSA-N 378.480 2.885 0 40 GFAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575426311 QXPLXKJKLLWUIR-JSGCOSHPSA-N 379.931 2.625 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)o1 58356390 SRHRMBMPYXSXSK-KRWDZBQOSA-N 380.441 2.988 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc2c(c1)OCCO2 58366765 HVPQWJZBJPTBKA-OAQYLSRUSA-N 395.459 2.625 0 40 GFAB CCCc1cc(=O)[nH]c(SCC(=O)N(C)Cc2ccc(OC)c(F)c2)n1 57645793 DCRIXWGYWHUOTF-UHFFFAOYSA-N 379.457 2.621 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 101118880 CSKQXMMDPIIJJJ-RTBURBONSA-N 386.492 2.706 0 40 GFAB COc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)c(OC)c1 5155070 NYVKXPNPWJUOBB-UHFFFAOYSA-N 389.355 2.537 0 40 GFAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1ccc(Cn2cccn2)o1 12183240 ZPUHSFWXOOANPO-QGZVFWFLSA-N 378.436 2.724 0 40 GFAB COc1cccc(C2(O)CCN(CCNC(=O)Cc3ccc(C)cc3)CC2)c1 12326284 XGLICQOLMYHKRS-UHFFFAOYSA-N 382.504 2.646 0 40 GFAB COc1ccnc(C[S@](=O)[C@H]2Nc3ccc(OC(F)F)cc3N2)c1OC 13282271 MTYWFNZUFLIARL-YHAMSUFESA-N 385.392 2.770 0 40 GFAB in-vitro CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC/C=C/c1ccccc1 14109700 YCJJLBIKKCEJFP-HWWNHIDJSA-N 376.412 2.852 0 40 GFAB Cc1ncc2c(n1)[C@]1(CCCN(Cc3cnc(N4CCCCC4)nc3)C1)OCC2 19287408 ZDNUZKSVBRWNCL-JOCHJYFZSA-N 394.523 2.629 0 40 GFAB O=C(Cn1cc(C(=O)c2ccc(F)cc2)c2ccncc21)N[C@@H]1CCCOC1 19332229 ORBNQIWGDBWLOJ-MRXNPFEDSA-N 381.407 2.702 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19345634 SZYILDSLGMERRP-OAQYLSRUSA-N 376.504 2.907 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1O2 19588455 AWFJVZITKCWKFM-IFXJQAMLSA-N 388.855 2.698 0 40 GFAB Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1S(=O)(=O)NC(C)C 19659312 XQZNQQHRDGFOOM-UHFFFAOYSA-N 399.476 2.515 0 40 GFAB Cc1nc2sc(C(=O)NCc3nnc(-c4ccccc4)o3)c(C)c2c(=O)[nH]1 19719002 LEWHRLLZZXDHTJ-UHFFFAOYSA-N 381.417 2.581 0 40 GFAB CCc1cc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)nc(C(C)(C)C)n1 1888900836 NRSMWFAVZCHMHJ-UHFFFAOYSA-N 394.527 2.718 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](COc2ccc(F)cn2)C1 1889213108 YNZQRAZXVLEPDA-AWEZNQCLSA-N 380.441 2.627 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)c1 1848587431 WQBAACHSWPUKJM-UHFFFAOYSA-N 390.871 2.888 0 40 GFAB COc1ccc(OC)c(CN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C2CC2)c1 25809291 MGOXLKANJLGMPD-UHFFFAOYSA-N 396.443 2.716 0 40 GFAB CN(Cc1ccsc1)C(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1 29694335 UZFPDBDCRKHJDU-UHFFFAOYSA-N 399.560 2.829 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)CCn2cnc3ccccc3c2=O)c1 32491342 NWJFUKGSARFTQF-UHFFFAOYSA-N 385.807 2.865 0 40 GFAB Cc1cnc(NC(=O)CN2CCC(O)(COc3ccc(C)c(C)c3)CC2)s1 2037915903 ACFYYBMVGRDTLJ-UHFFFAOYSA-N 389.521 2.913 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 4063461 BKIYXPWFIVCOAC-UHFFFAOYSA-N 388.474 2.708 0 40 GFAB COc1cccc(-c2nn(CC(=O)NC3CCCC3)c(=O)c3nc(C)sc23)c1 8955903 WNYAVYSTYXQODG-UHFFFAOYSA-N 398.488 2.896 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1F 10063740 CAPBZLHWWJUXOF-UHFFFAOYSA-N 378.425 2.934 0 40 GFAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1cccc3ccccc13)CC2 2055729986 MMQSNTIRVBTJOH-MRXNPFEDSA-N 385.489 2.524 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19376007 KAABPYQQGMLECR-OAHLLOKOSA-N 375.476 2.552 0 40 GFAB Cn1ccnc1CN1C[C@H]2C[C@H](O)[C@@H](n3ccnc3-c3ccccc3)C[C@H]2C1 2332242857 WCDQQGKFPGFXTJ-YRPNKDGESA-N 377.492 2.728 0 40 GFAB CCn1c(=O)n(CC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c2ccccc21 40050288 LIADROJJGLFWTB-UHFFFAOYSA-N 393.447 2.746 0 40 GFAB CC(C)OCCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl 40106077 CPTCVWVZAOFQDR-UHFFFAOYSA-N 382.309 2.840 0 40 GFAB CCOCCCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O 11565685 AJFOPSATNUFNJZ-UHFFFAOYSA-N 384.226 2.721 0 40 GFAB COc1ccc2c(c1)OCC(C(=O)OCCCn1c(=O)[nH]c3ccccc31)=C2 11575431 FRMIHRMZUSGYPP-UHFFFAOYSA-N 380.400 2.748 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1 20737558 ADUSAWYNWOLXNF-OAHLLOKOSA-N 392.506 2.511 0 40 GFAB COc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc(C(=O)O)c1OC 45946788 GVNBWNIEUOESSC-LLVKDONJSA-N 377.418 2.542 0 40 GFAB CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(CN2CCCC2=O)c1 69350457 CKLVMALKFAKQSF-RHSMWYFYSA-N 389.521 2.695 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(C(F)(F)F)nc1 21069668 VOAIPAGHLJTWNQ-UHFFFAOYSA-N 385.367 2.793 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccnn3C(C)C)c12 32899830 NEJUSSQMAVKWRV-UHFFFAOYSA-N 383.408 2.982 0 40 GFAB C[C@H](Sc1nc(=O)cc(N)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 4906313 ZDURLRCVIOLVKZ-LBPRGKRZSA-N 391.456 2.905 0 40 GFAB Cc1nc2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cc2nc1C 32841503 TZZWVHNFHDPMBE-HXUWFJFHSA-N 390.487 2.877 0 40 GFAB CC(=O)c1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 6559221 BOJDXHCJXXFUBG-UHFFFAOYSA-N 388.489 2.918 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 7871805 VJUPEJWLCLCOSX-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB Cc1cc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2C)ccc1Br 51317949 MDUPNOPPBWJLBM-CYBMUJFWSA-N 379.258 2.555 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 32916096 LAGDAENIZPQEHU-AWEZNQCLSA-N 395.337 2.980 0 40 GFAB COc1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc(OC)c1OC 8361765 PMYVCRVCWJPJIC-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Oc3ccccc3C(F)(F)F)ccc21 51135184 AAJCKIRYHMGHBK-UHFFFAOYSA-N 386.351 2.664 0 40 GFAB O=C(c1ccc2[nH]nnc2c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 22024044 MPEZNXBDIYYLEL-UHFFFAOYSA-N 389.381 2.935 0 40 GFAB COc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 851354 OBVAXZRRTUPKMR-SNVBAGLBSA-N 388.807 2.980 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 47539473 QOVHFALQOKPJPG-UHFFFAOYSA-N 393.484 2.631 0 40 GFAB CN1CCN(c2cc(CNC(=O)COc3ccc4ccccc4c3)ccn2)CC1 47672140 KCLCKDXJCMGOAC-UHFFFAOYSA-N 390.487 2.682 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 101268075 VVSVAJQQYLURHZ-HSALFYBXSA-N 396.443 2.959 0 40 GFAB CC(C)Cc1nnc(SCc2cc(=O)n3nc(-c4ccccc4)[nH]c3n2)n1C 102621317 MKWXGSQFOOZYBI-UHFFFAOYSA-N 395.492 2.704 0 40 GFAB CCc1ccccc1N1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 101163541 BBZBFRAZYUPMPL-NRFANRHFSA-N 377.488 2.699 0 40 GFAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 24897134 BDSUVLCBMWYEHD-UHFFFAOYSA-N 388.427 2.631 0 40 GFAB COc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c(C(=O)N(C)C)cc1OC 25219432 WDBLUDKGGWBMMJ-UHFFFAOYSA-N 397.431 2.543 0 40 GFAB CC(C)CCNC(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490377 LQPYIRJDLDJYAH-UHFFFAOYSA-N 389.452 2.515 0 40 GFAB COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1N1CCCC1=O 20455202 YHHIFRSTFIGVMN-UHFFFAOYSA-N 382.388 2.901 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O 57525792 CJNVOCMMVJTBCP-UHFFFAOYSA-N 379.460 2.526 0 40 GFAB CN(Cc1ccc2ccccc2c1)Cc1nc2ccccc2c(=O)n1CC(N)=O 57668145 MYHQPZRPFAHDOV-UHFFFAOYSA-N 386.455 2.667 0 40 GFAB COc1cc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC 27382150 HFAWKSCZHAGHML-UHFFFAOYSA-N 399.491 2.782 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(NC(=O)[C@H]2CCCO2)c1 58196562 GEBYVLPIIZGTMD-LJQANCHMSA-N 396.443 2.548 0 40 GFAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCN(C)CC2)o1 22938366 OZUDOPUBURRLGL-GOSISDBHSA-N 391.899 2.725 0 40 GFAB O=C1CN(c2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2)CCN1 58428156 APHJGDAJZDNQMI-UHFFFAOYSA-N 396.394 2.882 0 40 GFAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 12779524 VVDIOEOQXRNYEV-LIRRHRJNSA-N 394.427 2.836 0 40 GFAB O=C(NCCC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1Cl 11408284 QIRJSRJAWFYJDW-UHFFFAOYSA-N 387.867 2.514 0 40 GFAB COCCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1C 3592733 SXFZWMFFLZLDMC-UHFFFAOYSA-N 375.469 2.579 0 40 GFAB CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)O)cc2)N(C)C)cc1 13073226 HTBILOFQKIBBNA-SFHVURJKSA-N 376.478 2.528 0 40 GFAB CC(C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1=O 9236408 MSGPWPKOGUUCMK-MRXNPFEDSA-N 397.450 2.951 0 40 GFAB NC(=O)c1c(NC(=O)Cn2c(=O)sc3ccccc32)sc2c1CCCC2 4510886 SHTBAZQOLAQZAC-UHFFFAOYSA-N 387.486 2.741 0 40 GFAB CC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1=O 4616862 KKXXEBDOKVHEED-UHFFFAOYSA-N 393.509 2.583 0 40 GFAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 23686097 UIZWOLLYIPWXBI-UHFFFAOYSA-N 398.385 2.575 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N=c1[nH]c2ccccc2[nH]1 6664529 SNOQLIYOOZJDNO-UHFFFAOYSA-N 389.411 2.988 0 40 GFAB COc1cccc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 8708414 ZRHKVHOGDQGGHR-GOSISDBHSA-N 377.400 2.522 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 4916379 XJJWCGXNUXFOSM-LLVKDONJSA-N 392.839 2.801 0 40 GFAB Cc1ccc(-n2ccnc2SCC(=O)NCc2nnc3ccccn23)cc1C 9377175 WASGOYWPFXMMDS-UHFFFAOYSA-N 392.488 2.940 0 40 GFAB COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 7212168 FDWNLRUIUKALPX-UHFFFAOYSA-N 385.791 2.933 0 40 GFAB O=S(=O)(c1cccc(CN2CCSc3ccccc32)c1)N1CCOCC1 7493254 PDEYCCAQFCFDDR-UHFFFAOYSA-N 390.530 2.820 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)cc1 20030171 QDDRGPBQIGRZBA-CYBMUJFWSA-N 392.477 2.591 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc2ccccc2[nH]1 9459835 XKSYFPWPHSAPCK-AWEZNQCLSA-N 378.479 2.566 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)C3(c4ccc(F)cc4)CCC3)CC2)on1 97160212 BNOKLFILCPQRRD-UHFFFAOYSA-N 385.439 2.965 0 40 GFAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)/C=C/c1ccc2ccccc2n1 84595071 USAMIYMGWIYBTN-SCOAYWHSSA-N 377.366 2.918 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 95464367 LGJWZNWEDXJKHP-XLIONFOSSA-N 386.448 2.749 0 40 GFAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC)CC2)c(Cl)c1 408628022 PNGXWITYVYZLIL-UHFFFAOYSA-N 382.917 2.622 0 40 GFAB COC(=O)c1cc(C(=O)N[C@H](C)CNc2ccccc2)n(-c2ccccc2)n1 79100589 AYKKLNGERMEXSJ-OAHLLOKOSA-N 378.432 2.889 0 40 GFAB COc1ccc([C@H](CC(=O)NCc2c[nH]nc2C)c2oc(C)cc(=O)c2O)cc1 1547138960 XINXXRZZHDSJFN-KRWDZBQOSA-N 397.431 2.532 0 40 GFAB biogenic O=C(O)c1oc2ccc(Br)cc2c1CN1CCn2ncnc2C1 516657306 WTRLLIRMSUFMMR-UHFFFAOYSA-N 377.198 2.501 0 40 GFAB COc1ccc2c(ccn2CC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)c1 524729138 FRSPJVMAACSFTK-OXFYSEKESA-N 381.476 2.509 0 40 GFAB biogenic Cc1sc(-n2cnnn2)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1C 524734372 YOVWWUMLKUWWCO-UHFFFAOYSA-N 384.440 2.934 0 40 GFAB COC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218109784 JHEDPLCZGSRVMN-HSALFYBXSA-N 375.490 2.535 0 40 GFAB Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)nn1C1CCCCC1 562266640 XFRGEPZOSKJVON-UHFFFAOYSA-N 376.482 3.321 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCc2[nH]c3ccc(F)cc3c2C1 71287620 RSTGCAKHPGZRLW-UHFFFAOYSA-N 394.450 2.718 0 40 GFAB COc1ccc(NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)c(OC)c1 40119248 GROIFXYAPQTDQY-UHFFFAOYSA-N 387.465 2.798 0 40 GFAB CCc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)cc1 197755095 QJRSMLVHMOWHPH-UHFFFAOYSA-N 376.478 2.971 0 40 GFAB S=C(NCCCc1ccccc1)Nc1nc(Cl)cc(N2CCOCC2)n1 225966906 IEOWMXOPBIURHL-UHFFFAOYSA-N 391.928 2.886 0 40 GFAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C(=O)c4ccncc4)C3)nc2c1 49168780 BEWJTAAABOIJKD-AWEZNQCLSA-N 385.445 2.646 0 40 GFAB biogenic,in-vitro COC(=O)C[C@H](c1ccc(F)c(F)c1F)c1c(O)nc2ccccn2c1=O 96118300 NDUBVRAIOWHBIN-SNVBAGLBSA-N 378.306 2.512 0 40 GFAB Cc1cc(OC2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)cc(=O)n1C1CC1 244975214 IGTUHRIGQHMDRL-UHFFFAOYSA-N 390.443 2.785 0 40 GFAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)cc1 257215070 COOFEWRUIFGRPR-KXBFYZLASA-N 386.423 2.619 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@](COc2ccccc2)(CC(N)=O)C1 257235137 GWPOKJONHWCBQT-QFIPXVFZSA-N 382.460 2.872 0 40 GFAB Cc1ccc(NC(=O)C[C@@H]2Cc3c(-c4ccccc4)nc(N)n3NC2=O)cc1 618256467 IZDXFSJFGMIXSS-HNNXBMFYSA-N 375.432 2.712 0 40 GFAB O=C([C@@H]1CCc2cccnc21)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 644854245 RDBSENDFPBQNKS-GOSISDBHSA-N 395.894 2.757 0 40 GFAB O=C(Cc1cnn2ccccc12)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 648351286 PZBIATWMDPHDOJ-AWEZNQCLSA-N 377.370 2.956 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653534305 GMNDWUFAHGBAFG-KWCYVHTRSA-N 382.482 2.655 0 40 GFAB CN(CC1=CCCOC1)C(=O)N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1 661151938 SLICZRPFUXAXIN-OALUTQOASA-N 382.464 2.690 0 40 GFAB CN(C)S(=O)(=O)CC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 680209147 NDXTZUSOXHEEOH-GOSISDBHSA-N 392.908 2.857 0 40 GFAB C[C@H]1CN(Cc2cccc(CNc3ccc4nnc(C5CC5)n4n3)c2)CCO1 685904871 ALZKCPRIVRXWEG-HNNXBMFYSA-N 378.480 2.835 0 40 GFAB COc1ccccc1OCC(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96366721 DMHWEOVDOJIGSS-INIZCTEOSA-N 389.473 2.539 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 5510788 QWXSIWCETSVVGR-HNNXBMFYSA-N 388.489 2.971 0 40 GFAB O=C1NC2=C(C(=O)N(CCN3CCCC3)C2)[C@@H](c2ccc(Cl)c(Cl)c2)N1 12113458 WUKRXURGTHMNNU-MRXNPFEDSA-N 395.290 2.539 0 40 GFAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(N2CCCCC2)cc1 12114538 KPIBKWKALFUNHL-UHFFFAOYSA-N 394.519 2.994 0 40 GFAB O=C(Cc1cccs1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130641 QUYCIEUOPINSAL-UHFFFAOYSA-N 395.488 2.955 0 40 GFAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)N4CCC(C)CC4)nc3c2c1C 12182018 GRFFQFUSMFHOLB-UHFFFAOYSA-N 399.520 2.858 0 40 GFAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCN(CC)CC3)o2)cc1 14141812 UWWDLISAQOQAKQ-CQSZACIVSA-N 390.509 2.780 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 14796001 LWVGLAKVNVYDDI-OAHLLOKOSA-N 386.448 2.868 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 18177599 IZPOKGXCFDJBDM-AWEZNQCLSA-N 381.454 2.832 0 40 GFAB c1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCC3)CC2)cc1 19369661 ULLKZKQJXJRTMU-NRFANRHFSA-N 392.507 2.964 0 40 GFAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccc(-n3cnnn3)cc1)cn2C 19662174 JDIKEIBMLWPQEH-CQSZACIVSA-N 390.447 2.524 0 40 GFAB CCn1cnc2sc(C(=O)NCC(C)(C)N3CCCCC3)c(C)c2c1=O 19717361 UOEDVMPATMPRHI-UHFFFAOYSA-N 376.526 2.781 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cc(OC)ccc2OC)cc1 5511067 SLCSACYBSZOJCQ-LFYBBSHMSA-N 384.432 2.823 0 40 GFAB Cc1nc(O)c2nnn(C[C@H]3CCCN(Cc4c(F)cccc4Cl)C3)c2n1 12471204 MEDBEGQDPQFXAD-LBPRGKRZSA-N 390.850 2.940 0 40 GFAB Cc1nc2ccccn2c1C(=O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888897627 GNRBRKUPYCRTFF-HNNXBMFYSA-N 377.448 2.851 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)O[C@H](C(=O)NC1CC1)c1ccccc1 25117632 ZKVBJXIAEDGQTO-QFIPXVFZSA-N 392.455 2.919 0 40 GFAB CN(CC1CCN(Cc2ccn(C)c(=O)c2)CC1)c1ncnc(C2CC2)c1F 2086962041 WORBWWNKSPVUAY-UHFFFAOYSA-N 385.487 2.540 0 40 GFAB CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 4370396 SMTHWXNEBQFPRK-UHFFFAOYSA-N 395.463 2.502 0 40 GFAB CCOC(=O)C1CCN([C@@H](c2ccccn2)c2c(O)cc(C)n(CC)c2=O)CC1 22697385 JIHIULDGLSEAHY-FQEVSTJZSA-N 399.491 2.642 0 40 GFAB C[C@H](NC(=O)C(=O)NCc1ccc([C@H](O)c2ccco2)s1)c1ccccc1 206687064 MOEJXAAYJCEOQG-SCLBCKFNSA-N 384.457 2.916 0 40 GFAB Cn1cnnc1SCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1 36709140 INVMIEKNEYPBDI-UHFFFAOYSA-N 378.461 2.676 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c1 575610306 HVWHFIGGWYDDCW-GOSISDBHSA-N 396.472 2.783 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccccc2)C(=O)N1C 585148645 AADRBPMTJNKUBX-POAQFYNOSA-N 387.457 2.592 0 40 GFAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(C(=O)O)cc4)ccc1c23 816437 BLEGSMPCBQYWFG-UHFFFAOYSA-N 382.397 2.929 0 40 GFAB CCOc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)cc1 4316200 NOEJWYRHXLQCRP-UHFFFAOYSA-N 392.375 2.694 0 40 GFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(Cl)c4)nc32)cc1 4338330 GLXLISNIKQKLNN-UHFFFAOYSA-N 395.806 2.537 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 5438563 MAPGUBSCSYGMHL-UHFFFAOYSA-N 388.445 2.656 0 40 GFAB C[C@@H](C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1)S(C)(=O)=O 40133874 IUOLCMQNYXAOKB-ZETCQYMHSA-N 382.385 2.609 0 40 GFAB Cc1ccc(F)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21 40478620 RWOWIWWKOUHTIA-UHFFFAOYSA-N 383.423 2.905 0 40 GFAB Cc1nn(-c2ncccn2)c2c1[C@H](C(=O)c1ccc3c(c1)OCO3)CC(O)=N2 32073124 JCHULSAPQBGOBJ-GFCCVEGCSA-N 377.360 2.658 0 40 GFAB C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)N[C@H](C)c1ccc(F)cc1 11678160 CSMLFDRVJFFEKE-VXGBXAGGSA-N 375.429 2.812 0 40 GFAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CC[C@H]1NC(=O)NC1=O 32716855 KKEGYDPZGGRSPT-CQSZACIVSA-N 375.812 2.547 0 40 GFAB COc1ccc(CN2CCN([C@H](C)C(=O)NCc3ccc(C)cc3)CC2)cc1F 32797305 QPBOYWOVHOAMHN-GOSISDBHSA-N 399.510 2.965 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 6145792 FIXMCKHFAUBEKQ-UHFFFAOYSA-N 380.510 2.545 0 40 GFAB O=C(NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)O)OCc1ccccc1 6575085 LMIAZJBVEQLTGM-GOSISDBHSA-N 384.432 2.966 0 40 GFAB O=C(NCCC(=O)N1CCO[C@H]2CCCC[C@H]21)NC12CC3CC(CC(C3)C1)C2 46483487 AQULPWBLPMNWQL-COZJESOBSA-N 389.540 2.815 0 40 GFAB Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c2cccnc12 29993158 SBYUWDLUWGKDSJ-GOSISDBHSA-N 391.406 2.741 0 40 GFAB COCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810021 BKPDGIKKJASAKS-UHFFFAOYSA-N 386.832 2.656 0 40 GFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)n1 100205616 PPOLHWCYXYYEGM-IYBDPMFKSA-N 381.480 2.586 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2OC2CCCC2)cc1 46717465 RJOWBKBPUQJNDH-UHFFFAOYSA-N 388.489 2.878 0 40 GFAB Cc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)[nH]c2c1C(=O)CC(C)(C)C2 22283195 KECLNAVRJJFUPW-UHFFFAOYSA-N 396.491 2.640 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1 20012907 MZVZNAULWQNGAO-LJQANCHMSA-N 388.489 2.510 0 40 GFAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccccn2)CC1 100152675 DGEVHRDFNOERSV-IYBDPMFKSA-N 383.496 2.641 0 40 GFAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2nc3ccccc3s2)CC1 23994616 FTHLFZXIBXNKBY-UHFFFAOYSA-N 394.566 2.535 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)cc1 55051282 DIWRDUPVMIHSDK-CQSZACIVSA-N 391.880 2.913 0 40 GFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 43283407 RKXWIRCHRXTTOH-UKRRQHHQSA-N 388.855 2.707 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@H](O)c2ccc(F)cc2)C1 25054571 SYTKWDGZJYJPEG-LIRRHRJNSA-N 388.464 2.886 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)CC1 25776990 IQUKNFQUXOPSCH-INIZCTEOSA-N 399.564 2.849 0 40 GFAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 57509227 RUAZEWNGTUXOGD-UHFFFAOYSA-N 389.431 2.536 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4C)CC3)CC2=O)cc1 44670558 JHIDLDUTVIYZCQ-SFHVURJKSA-N 393.487 2.705 0 40 GFAB O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(OC(F)F)cc1 12654973 MWXWMIXIHHRUDX-UHFFFAOYSA-N 381.360 2.722 0 40 GFAB COc1ccc(-c2nc(NC(=O)c3cn4c(C)cccc4n3)n[nH]2)c(OC)c1 58277722 ZUQMMSJPEKQSQB-UHFFFAOYSA-N 378.392 2.697 0 40 GFAB COc1cc2oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c2cc1Cl 2117256 VWNDBRXFVVTKKM-AWEZNQCLSA-N 395.839 2.921 0 40 GFAB CC[C@@](C)(NCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C(F)(F)F 78970333 QSWBHAUVGIYFNW-MRXNPFEDSA-N 390.358 2.519 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccncc3)C[C@H]21 306142263 WUTPUHDZZFYURA-PZJWPPBQSA-N 377.469 2.899 0 40 GFAB O=C(Cn1nnn(-c2cccs2)c1=O)N(c1ccccc1)C1CCCCC1 10814639 BUCBLETXMXFVIV-UHFFFAOYSA-N 383.477 2.856 0 40 GFAB Cc1cc(C)c(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(C)c1 10833975 HJJQOWMOSFBPRU-KRWDZBQOSA-N 390.505 2.833 0 40 GFAB CC(=O)NCCNC(=O)COC(=O)c1cc2sc3ccccc3c2s1 11292258 KBUYZFPVILKGED-UHFFFAOYSA-N 376.459 2.525 0 40 GFAB COC(=O)c1c(NC(=O)CCNC(=O)c2ccccc2OC)sc(C)c1C 48341830 BKDUCUKFCADIAH-UHFFFAOYSA-N 390.461 2.919 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(C)nc3ncnn3c2C)c1 8356409 JAPCUHQGKKQAJR-CYBMUJFWSA-N 383.452 2.568 0 40 GFAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 3497613 LUUHILUTDYVALO-UHFFFAOYSA-N 377.780 2.915 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc12 3558530 UVZNUTNETGSTOB-UHFFFAOYSA-N 386.429 2.604 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)c1 12925788 AWYKJCUWJOVVOT-SFHVURJKSA-N 386.423 2.936 0 40 GFAB CC(C)(C)c1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)n(Cc2ccccc2)n1 13008594 NXYGNEHVKOWYQQ-OAHLLOKOSA-N 375.494 2.602 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)o2)c1 17044562 QGNIPMDPOUGSCD-QGZVFWFLSA-N 396.407 2.519 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 7736782 VZNPVRHESORYDP-OAQYLSRUSA-N 394.471 2.843 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2)cc1 4018907 DLXRUGJOIOCOPT-UHFFFAOYSA-N 396.534 2.727 0 40 GFAB COCCCn1c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc21 5268381 NXRRQWDQOSUWPV-UHFFFAOYSA-N 394.431 2.517 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)Nc1cccc(N2CCCC2=O)c1 14015414 DKQOEAGGCHQOFX-UHFFFAOYSA-N 381.457 2.891 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 8186972 CIKRTLFWXAVBLK-PBHICJAKSA-N 378.428 2.953 0 40 GFAB COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)N(C)C)cc1 14119492 AHWMEPMJNWIUKN-IBGZPJMESA-N 399.491 2.560 0 40 GFAB C[C@@]1(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CCS(=O)(=O)C1 6552817 PVLSSHHWDUYLHE-OAQYLSRUSA-N 395.484 2.846 0 40 GFAB CCn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 6552715 OKSZIQDWMWMQOR-GJZGRUSLSA-N 378.542 2.784 0 40 GFAB C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc2c(c1)OCCO2 6516664 DCHMRXQBOWLMOX-LLVKDONJSA-N 383.429 2.814 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 6679035 LGDRSADYKDIOMD-UHFFFAOYSA-N 393.852 2.545 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1ccc3ccccc3n1)C2=O 5627245 HNXPLWKZNLBWPR-UHFFFAOYSA-N 398.488 2.859 0 40 GFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccccc3)n2C)cc1 4814658 WCNAMGHCIZRBCF-UHFFFAOYSA-N 396.472 2.980 0 40 GFAB CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1cccnc1 18019988 GNYCUGCSQQANQR-UHFFFAOYSA-N 376.254 2.874 0 40 GFAB COC[C@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 67870914 KRAGWAXBWDXNLG-FMWKFLBASA-N 386.540 2.629 0 40 GFAB biogenic,in-vitro CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 84240746 KCUDGYPPUJGTNY-BMFZPTHFSA-N 376.453 2.992 0 40 GFAB Cc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)n1 9426664 FAYCAQBZWIQTJT-INIZCTEOSA-N 380.448 2.838 0 40 GFAB CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 84790984 PDKRINFLLZISHF-MEDUHNTESA-N 398.290 2.861 0 40 GFAB CN1CCO[C@H]([C@H](NC2CN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc2)C1 95454573 GVUPNDXGXAYLPP-ZWKOTPCHSA-N 395.931 2.921 0 40 GFAB COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 95994185 DDTMMLPGXDXHPH-BBRMVZONSA-N 398.381 2.990 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCc1ccc2ccccc2n1 89873146 VHHRDQXHYNPEKB-UHFFFAOYSA-N 375.350 2.774 0 40 GFAB O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc2c(n1)CCCC2 89825836 WKHNGNAOLDYCEF-IBGZPJMESA-N 375.432 2.793 0 40 GFAB COc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3CCS(C)(=O)=O)c2c1 552807531 KGIKWNZPUSUBCQ-HNNXBMFYSA-N 378.494 2.535 0 40 GFAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 72359676 JPXZFAUBVJUKNU-GOSISDBHSA-N 380.492 2.954 0 40 GFAB C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 31860811 OFUMSTVCETVCLF-LACYOAMESA-N 397.427 2.963 0 40 GFAB CCN(CC)C[C@@H](O)CNc1nc2nonc2nc1Nc1ccc(Cl)cc1 33627495 XUVHHHSVIHZKRG-ZDUSSCGKSA-N 391.863 2.524 0 40 GFAB CCOc1cccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219724159 CHVANOYEQAFTPS-UHFFFAOYSA-N 390.505 2.802 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2cn(C)c(=O)c3ccccc23)c1 70666447 HOGMEDYANDUJKL-UHFFFAOYSA-N 375.428 2.932 0 40 GFAB biogenic O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 62007410 AJXPQHZKOFODRC-UHFFFAOYSA-N 376.416 2.768 0 40 GFAB O=C(CSCc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 70926800 JKCXTAFSKSPVAQ-UHFFFAOYSA-N 383.517 2.983 0 40 GFAB CC(C)CCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)O 217647215 RUBCGCAUYTYRRF-UHFFFAOYSA-N 386.514 2.936 0 40 GFAB Cc1noc([C@@H](C)NC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)n1 523626102 MDOPJULRLTWYNJ-CQSZACIVSA-N 398.467 2.548 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 223413926 PGLYPTDNCPYNPQ-HXUWFJFHSA-N 384.476 2.936 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 225827600 BSICHLANLAJXSE-UHFFFAOYSA-N 377.384 2.855 0 40 GFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 41246884 HTHSWYWSYDPMDZ-SFHVURJKSA-N 392.908 2.852 0 40 GFAB O=C([C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)N1CC(n2cc(-c3ccccc3)nn2)C1 527487479 UNHKTXLWGQRIHQ-NCOADZHNSA-N 392.381 2.684 0 40 GFAB O=S(=O)(Cc1cccc(Br)c1)NC[C@H]1COc2ccccc2O1 225280100 HQUHREVOWOFOJQ-AWEZNQCLSA-N 398.278 2.709 0 40 GFAB O=C(CSc1nc2ccccc2o1)NCCn1nc(-c2ccco2)ccc1=O 42381389 KYJMCQCZIFMPSE-UHFFFAOYSA-N 396.428 2.553 0 40 GFAB COc1ccc(C(=O)CSc2nc3sccc3c(=O)n2C)c(OC)c1 45265922 HBWKITWMBSCTNR-UHFFFAOYSA-N 376.459 2.987 0 40 GFAB COC(=O)c1cc(S(=O)(=O)n2cc(C(=O)OC)c3ccccc32)ccc1C 222643866 URVBNWIDNVHWOB-UHFFFAOYSA-N 387.413 2.760 0 40 GFAB CN1CCN(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 225496883 SFRUPCQMINGKPJ-UHFFFAOYSA-N 389.503 2.517 0 40 GFAB COc1cccc(NCCc2nc([C@H](N)c3ccc(OC)c(OC)c3)n[nH]2)c1 95533838 DGFRQBOTGMFYDC-LJQANCHMSA-N 383.452 2.533 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@]4(C)NCCC[C@@H]34)[nH]n2)c1 257264664 LVMYCCCHMNEGFJ-CTNGQTDRSA-N 384.480 2.841 0 40 GFAB NC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1 257266491 MDFUFAFYDMGPLM-HSZRJFAPSA-N 392.547 2.849 0 40 GFAB NC(=O)C[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC[C@@H]1Oc1ccc(F)cc1 257291128 QFTYRDMJCZTQJP-UGSOOPFHSA-N 392.377 2.889 0 40 GFAB Cn1nc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c2c1CCCC2 585140312 KZMQMSXNLMOCNL-QGZVFWFLSA-N 393.447 2.563 0 40 GFAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 260771881 LWIGXXWALRRPQK-OCBCSQNSSA-N 379.489 2.861 0 40 GFAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccco1 36596653 ZNTRVKPMAMXFEP-GOSISDBHSA-N 394.431 2.525 0 40 GFAB biogenic Cc1ccncc1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 622811853 HSCJXSBSMOPVNJ-UHFFFAOYSA-N 391.493 2.609 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CNC(=O)c2ccccc21 625996080 OGFIGMHQCJMURN-CZAAIQMYSA-N 377.488 2.540 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C2CC2)o1 68413761 QQZDIISLPHFERF-DOUAPOQWSA-N 385.464 2.662 0 40 GFAB CC(C)CC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 5976890 ZIDFOCZVBKRILZ-UHFFFAOYSA-N 390.553 2.850 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)c1 12085237 MWLXCTMNXDEJMC-HNNXBMFYSA-N 383.477 2.644 0 40 GFAB COc1ccccc1[C@]1(O)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 12290431 PRFUGVWOLVNJNR-QHCPKHFHSA-N 394.471 2.551 0 40 GFAB CC(C)CNC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1 12676179 HMMAFYZLLPSZSW-UHFFFAOYSA-N 398.872 2.876 0 40 GFAB CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(F)ccc1OC 13581170 AUWFTXMUCVLKAX-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1 19572990 MNFAPVAXLSVACZ-QGZVFWFLSA-N 396.539 2.635 0 40 GFAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc[nH]n3)CC2)c1 19746630 MQOUUEKOGKWXNV-HXUWFJFHSA-N 396.491 2.965 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1C(=O)N1CCCC1 19932837 KNAHIERNFFRMQV-UHFFFAOYSA-N 380.510 2.884 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1nc2ccccc2s1 7432669 FTWKDACOQUGYPZ-ZHACJKMWSA-N 396.424 2.818 0 40 GFAB CC(C)CN1Cc2cccc(C(=O)N[C@H](C)Cn3nnc4ccccc43)c2C1=O 12145060 CDCZCENPZFUVLX-OAHLLOKOSA-N 391.475 2.862 0 40 GFAB C[C@H](C(=O)Nc1cccc(CN2CCCCC2)c1)n1cnc2c(N)ncnc21 666301344 MGXDEKCRGGHXOQ-CQSZACIVSA-N 379.468 2.594 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCCC2 6059238 ZMHAKCHNTNQXHT-UHFFFAOYSA-N 376.409 2.660 0 40 GFAB CCOc1ccc2nc(N3CCN([C@@H](C)C(=O)NC(C)C)CC3)sc2c1 1888921775 VNMWQIYILMTFGG-AWEZNQCLSA-N 376.526 2.730 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 1889128371 CJXOVDXMAMHCDW-CZUORRHYSA-N 394.397 2.985 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C(C)C)n4)CC3)nc(C)n2)n1 1889151312 RAOQJAKNDHSSMD-UHFFFAOYSA-N 392.511 2.828 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCc3cnn(-c4ccccc4)c3)CC2=O)cc1F 27132991 RPIBRUXUTXIOQS-QGZVFWFLSA-N 392.434 2.989 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC(COc2ncc(Br)cn2)CC1 1775995610 BFGDMQQMSAQSJE-UHFFFAOYSA-N 390.228 2.902 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(C)c(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 4393607 IPXSNTHTMPMHPT-ZWKOTPCHSA-N 386.473 2.924 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)[C@@H]2C)cc1OC 4770600 HYFKLXRWAOTCQV-IFXJQAMLSA-N 377.462 2.855 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 5223046 PTKOWKXZMVIXIA-UHFFFAOYSA-N 390.442 2.723 0 40 GFAB COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3F)c2=O)cc1 6805130 XRGJYZFHHUYXJE-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc2c(c1)OCCO2 8899755 IXJAIKAMZAWJKI-INIZCTEOSA-N 394.518 2.635 0 40 GFAB O=C(c1cccs1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055739180 NOPPOWMSSKTYRY-UHFFFAOYSA-N 376.507 2.570 0 40 GFAB Cn1nc(NC(=O)COc2ccccc2)c2c1NC(=O)C[C@@H]2c1cccs1 36705594 UMRXWKITKQECRP-CYBMUJFWSA-N 382.445 2.973 0 40 GFAB O=C(NCc1ccc(F)cc1)c1cn(-c2cc(N3CCCCC3)ncn2)cn1 49411254 ZTWGZADYRPENPV-UHFFFAOYSA-N 380.427 2.722 0 40 GFAB O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298121227 POTWFANAEMGHRW-SFHVURJKSA-N 380.423 2.900 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 5458991 ZGNLTHUCENPHSX-UHFFFAOYSA-N 380.422 2.527 0 40 GFAB CCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Cl)c1 20068922 YVMXAEFUDJOHLV-ZIAGYGMSSA-N 381.889 2.534 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1Cc1ccccc1 40131339 DLSJJKKORRIBHU-HNENSFHCSA-N 378.519 2.773 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1=O 15842894 CXGAEZLFHFLJFM-LLVKDONJSA-N 378.837 2.905 0 40 GFAB CCNC(=O)NC(=O)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 7677930 LFPVKEUCYKPMFA-MRXNPFEDSA-N 381.461 2.946 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccccc3[nH]2)CC1 1327402 BIZJQOGZDCRMRY-UHFFFAOYSA-N 399.472 2.902 0 40 GFAB Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3F)CC2)c1 32771394 BZZNJITUWJURRY-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(C)cs2)C(C)C)c1 2662186 PYDOLNFEJBBCSN-HNNXBMFYSA-N 377.466 2.862 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)c1 7881559 XDYFPFXDYSQCMB-GOEBONIOSA-N 397.427 2.871 0 40 GFAB CCN1CCN(c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)CC1 8107579 BLCRUCMZISYRQO-UHFFFAOYSA-N 381.448 2.908 0 40 GFAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 8413668 JOENZCWFWXPSOK-UHFFFAOYSA-N 398.415 2.682 0 40 GFAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCCC(=O)Nc2nnc(C)s2)cc1 8474279 PFEHSZSNBQZMNR-LLVKDONJSA-N 391.449 2.779 0 40 GFAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)OC)cc1 9390171 JFDINYOXCPFRHH-UHFFFAOYSA-N 388.851 2.905 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(Cc2cc(C)on2)CC1 53286507 JDIKISIVNBXWEV-OAQYLSRUSA-N 394.475 2.591 0 40 GFAB CCc1c(C(=O)NCCN2CCc3sccc3C2)cnn1-c1ccccn1 53269747 HJFVRLHKZGGJIU-UHFFFAOYSA-N 381.505 2.679 0 40 GFAB COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCC4)cc1 755319 SVZFJEZAAXBGLD-UHFFFAOYSA-N 387.486 2.522 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cc2cnc(-c3ccccc3F)s2)CC1 12390517 RINFPBTXTCXSJH-UHFFFAOYSA-N 377.441 2.792 0 40 GFAB Cc1ccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 895899 YURYIHUWULIMBM-FQEVSTJZSA-N 388.533 2.955 0 40 GFAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 47214680 BUIVEMBSBNORQV-BXUZGUMPSA-N 378.416 2.836 0 40 GFAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 24098433 ZROQRPKRLYMIFL-INIZCTEOSA-N 388.464 2.616 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)c1 24361537 LXVKKHPILLXGAW-UHFFFAOYSA-N 388.489 2.548 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 7728278 CIEYCNYTFJBTTP-UHFFFAOYSA-N 382.507 2.663 0 40 GFAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 16109296 ZEDKHEXGOUEUKI-JTQLQIEISA-N 381.837 2.963 0 40 GFAB C[C@H]1CN(c2ccc(C(=O)Nc3cccnc3-n3cccn3)cn2)C[C@H](C)O1 25012606 DWEZDJOXBWVLHG-GJZGRUSLSA-N 378.436 2.528 0 40 GFAB Cc1cc(=O)c(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)nn1-c1ccccc1 25851298 VUXOOBSJABANND-MRXNPFEDSA-N 397.475 2.783 0 40 GFAB O=C(CSc1nc(O)c2sccc2n1)Nc1ccc2c(c1)OCCO2 57477625 ZOZZNNIGCIIVQQ-UHFFFAOYSA-N 375.431 2.899 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1 3216186 JYPWAFUUYFHRGA-UHFFFAOYSA-N 394.880 2.638 0 40 GFAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCN(c2ccccc2)CC1 27019487 MFSIWJUENAETFP-MRXNPFEDSA-N 378.476 2.721 0 40 GFAB Fc1ccccc1-c1nnc2ccc(N[C@H]3CCN(CC(F)(F)F)C3)nn12 57855143 XYAHWUQINIPMNR-NSHDSACASA-N 380.349 2.979 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCCC2=CCCCC2)cc1 28209415 DDUFOOSUVMACBR-SFHVURJKSA-N 390.505 2.681 0 40 GFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1cccnc1 113936905 FSXSXSQHUDYWOT-UHFFFAOYSA-N 399.447 2.732 0 40 GFAB CN(Cc1ccccc1Br)C(=O)CN1C(=O)c2ccccc2C1=O 10630865 QFZZTFZBZBOCBW-UHFFFAOYSA-N 387.233 2.704 0 40 GFAB CSc1ncccc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 10746885 WOFQRDPHSZWZOK-UHFFFAOYSA-N 393.534 2.561 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)s1 48340334 LBLUJQDYFKSRFK-IAQYHMDHSA-N 382.507 2.921 0 40 GFAB COc1ccc(CSc2nnc(-c3cccs3)n2CC(N)=O)cc1F 12809033 GKQZYFODWNLRAV-UHFFFAOYSA-N 378.454 2.932 0 40 GFAB Cc1ccccc1-c1noc(COC(=O)c2ccccc2NS(C)(=O)=O)n1 12824832 OMYXQBLCMWIBPD-UHFFFAOYSA-N 387.417 2.774 0 40 GFAB C[C@@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 12804900 ZDDYCAQZLFMNGY-GFCCVEGCSA-N 399.520 2.639 0 40 GFAB COCCNC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3435846 VXJPAEAQPZVMCH-UHFFFAOYSA-N 382.391 2.960 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)NCc2ccccc2Cl)cc1 3541469 RFZYNPQOXIEKDT-UHFFFAOYSA-N 375.856 2.535 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccccc2F)c1 12919755 ZYPVFGWGKPFGPE-GOSISDBHSA-N 386.423 2.936 0 40 GFAB COc1ccc(CCNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1OC 7956315 HVZAPAIQPKNPCM-UHFFFAOYSA-N 393.443 2.531 0 40 GFAB O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 16699558 FXGNRSACSGFOFZ-GOSISDBHSA-N 392.521 2.764 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 8265943 OSHANOPTJSGDBC-UHFFFAOYSA-N 383.901 2.957 0 40 GFAB CC[C@H](C)n1c(=S)[nH]c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O 18176785 ZFASTAFOEXHEKB-QFYYESIMSA-N 391.493 2.835 0 40 GFAB biogenic O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccccc1Cl 5487639 RYYIHIMKWOBMIN-UHFFFAOYSA-N 397.866 2.926 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(NC(=O)c2ccco2)cc1 14485226 NLLQHBKVPJPJAL-UHFFFAOYSA-N 379.420 2.780 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 15183233 LQBHENUJLHPARH-UHFFFAOYSA-N 390.436 2.980 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1 7340399 LFFJOCNDIBWGGC-UHFFFAOYSA-N 381.542 2.919 0 40 GFAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCc2ccccc2)C3)cc1 8755459 OQSRWYPYSAYAQI-FQEVSTJZSA-N 377.444 2.778 0 40 GFAB COc1cc(CC2CN(C(=O)C(=O)Nc3cc(C)ccc3OC)C2)cc(OC)c1 84144684 VMIBNXKHPIVJIJ-UHFFFAOYSA-N 398.459 2.660 0 40 GFAB C[C@@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCc1cccc(F)c1 84139492 XORSHPPSZMNGSR-QLJPJBMISA-N 383.778 2.841 0 40 GFAB CCNc1nc(SCC(=O)N(C)CC(=O)NC(C)(C)C)nc2ccccc12 8938550 AAAWNPPFBNOLSN-UHFFFAOYSA-N 389.525 2.527 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(Cn2cc(C(F)(F)F)ccc2=O)n1 9127236 AUYPWQYAWFXQHM-UHFFFAOYSA-N 376.342 2.735 0 40 GFAB COC(=O)c1c(C)nc(C)c2c(=O)n(-c3n[nH]c(-c4ccccc4)n3)ccc12 72406456 BLMQUDVDMLDREA-UHFFFAOYSA-N 375.388 2.574 0 40 GFAB Cc1ccc(C[C@@H](C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)s1 97592808 MAXUZPMEEFRPJK-GFCCVEGCSA-N 378.519 2.740 0 40 GFAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 95479902 BSALXMXOAUQZIA-RDJZCZTQSA-N 380.897 2.619 0 40 GFAB O=C(CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)Nc1ccccc1 95959110 CSRSCPJESOTVFA-SFHVURJKSA-N 381.432 2.563 0 40 GFAB O=C([C@@H]1Cc2ccccc2S1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 79106958 VMUXUBAHURMICW-ZJOUEHCJSA-N 380.513 2.815 0 40 GFAB C[S@](=O)Cc1cccc(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 89493140 LMIXMHWOLNOWHL-RMKBEBRYSA-N 391.411 2.523 0 40 GFAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 79479499 QBMKBQUQDQDEMJ-LJQANCHMSA-N 386.492 2.874 0 40 GFAB CCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1 408560049 ZTOYUNYYDZKIIJ-UHFFFAOYSA-N 378.450 2.785 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)OC)c1 26526882 OFKDCVOKMWEWAV-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCCC1 409205622 IWDDQQRGDSEURI-UHFFFAOYSA-N 388.489 2.556 0 40 GFAB O=C(CN1CCN(C(=O)Cc2ccsc2)CC1)Nc1ccccc1Cl 36384657 ZCGPZGXSNBSVGY-UHFFFAOYSA-N 377.897 2.727 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(C)cc1 31100330 YEXDOIWAAOAKES-SFHVURJKSA-N 394.427 2.683 0 40 GFAB CC(=O)c1cc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)cs1 36741172 UUIJCKDRYHWFGB-UHFFFAOYSA-N 376.453 2.927 0 40 GFAB COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccncc4)no3)N(C)C2)cc1 30879516 FYGJNVBJJAVNQR-RDJZCZTQSA-N 394.435 2.707 0 40 GFAB biogenic,in-vitro COCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)n2c1nc1ccccc12 39963992 DEQPCQFRGSHQEC-LJQANCHMSA-N 392.459 2.667 0 40 GFAB Cc1cc(F)ccc1C1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 519691908 HJGGZBCHLRTKPI-UHFFFAOYSA-N 398.486 2.745 0 40 GFAB Cc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(O)cc3)[C@H]2C(=O)C(F)(F)F)cc1 35099344 PHHDHGHWGZWMBX-RLFYNMQTSA-N 394.349 2.647 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccc(Cl)cc2)Oc2ccccc21 38848630 KLWUOAXMNKYELR-KRWDZBQOSA-N 394.880 2.574 0 40 GFAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224649465 WXJVQBMGFTUTOL-UHFFFAOYSA-N 381.425 2.901 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)c(C)c1 222809345 YWRGEFQQQPKOIS-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)[nH]1 223170438 ZBGLRWBNVMTMBV-UXHICEINSA-N 399.564 2.721 0 40 GFAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1NC(C)=O 225105102 AMDVPBOQVLLRQY-UHFFFAOYSA-N 380.491 2.724 0 40 GFAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223569193 KEWFSYBOQQVOQO-UXHICEINSA-N 394.500 2.846 0 40 GFAB COC(=O)[C@@H](NC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2)co1)C(C)C 40266361 QHYVGOXWZBDYTI-KRWDZBQOSA-N 393.823 2.800 0 40 GFAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)COc1cccc(OC)c1)CC2 77196332 UBMHCJLCBLLQLK-UHFFFAOYSA-N 391.449 2.684 0 40 GFAB COC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 223380713 OHLLTMGBUKNJSC-HNNXBMFYSA-N 388.489 2.511 0 40 GFAB O=S(=O)(c1cccs1)N1CCC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 96222970 DGIAZYMLHMQBBF-PBHICJAKSA-N 379.507 2.567 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(CC4CCOCC4)C3)C2)cc1 96215456 VFMBDJKUQKPSSF-OAQYLSRUSA-N 392.565 2.898 0 40 GFAB CCc1oc2ccccc2c1CC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 528056351 ACPHVSPQVSGPKD-UHFFFAOYSA-N 399.472 2.742 0 40 GFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccc(OC)cc2)CC1 257283479 OYNAMJHIBLOQNB-CTNGQTDRSA-N 387.524 2.549 0 40 GFAB Cn1cc(C(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)c(-c2cccs2)cc1=O 252484889 GKAGHESMMLYZDG-SJCJKPOMSA-N 378.457 2.806 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(Cc3nccs3)CCN21 253406919 VGLUMASXAKMGEU-HNNXBMFYSA-N 388.512 2.703 0 40 GFAB biogenic,in-vitro Cc1cccc(-n2cnc3cc(C(=O)N4CC[C@@H](C)S(=O)(=O)CC4)ccc32)c1 614008979 KUDLDCYVRMDFEA-MRXNPFEDSA-N 397.500 2.983 0 40 GFAB CN1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCC1=O 661809167 IQLNOGBHAKYTLC-INIZCTEOSA-N 384.307 2.821 0 40 GFAB Cc1nnc2n1C[C@@H](C(=O)NCC1(c3ccccc3Br)CC1)CC2 676819032 YSDIVDVCCPDQKY-ZDUSSCGKSA-N 389.297 2.759 0 40 GFAB Cc1c(C(=O)Nc2cc(CCc3ccccc3)ccn2)nnn1[C@H]1CCNC1 662491684 LHILWOPPNIGISM-SFHVURJKSA-N 376.464 2.553 0 40 GFAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCCc3ccccc3)CC2)cc1 585271486 AFIVBAFMTBCALM-XMMPIXPASA-N 396.531 2.950 0 40 GFAB COc1cc(-c2cnc3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)ccn1 585111131 FSGKLXZVYNDCMP-UHFFFAOYSA-N 391.475 2.718 0 40 GFAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)n1 585291906 VLIQVDFLZYSOHZ-DKRLNXSXSA-N 390.451 2.809 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1 58972887 PRBYWHHWZIUNJG-IRXDYDNUSA-N 380.554 2.968 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)C(=O)NCc3ccccc3)c12 58191023 FYUJLIVBGMOZJE-ZDUSSCGKSA-N 378.432 2.843 0 40 GFAB O=S(=O)(c1cnc(N2CCC[C@H](F)C2)c(C(F)(F)F)c1)N1CCCC1 1615053437 SPVNEXVWXDIOCZ-NSHDSACASA-N 381.395 2.823 0 40 GFAB CCc1nn(CC(=O)N[C@@H](C)c2ccccn2)c(=O)c2cc3ccsc3n12 12088508 ISPPIDKPAUBXLI-LBPRGKRZSA-N 381.461 2.546 0 40 GFAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(S(C)(=O)=O)C3)cc2n1 12220436 YTEQDHSNTZGYDW-SNVBAGLBSA-N 376.404 2.620 0 40 GFAB Cc1ccnc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)c1 14164675 AUBLVJIXJYGUQC-CQSZACIVSA-N 394.460 2.796 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1Cl 16692545 DUEUYXGSXQFQRO-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 16693610 VAQMEXLUTWRBLT-UHFFFAOYSA-N 375.855 2.640 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CCc3ccccc3)ncc2C1 19018498 GYDNVOMGFNMGOX-FQEVSTJZSA-N 378.476 2.678 0 40 GFAB COc1ccc(CC(=O)N2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc1 19020379 GDGHTHQXUWNEBU-JOCHJYFZSA-N 381.476 2.749 0 40 GFAB CCn1nc(C)c([C@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2C)c1C 19523754 UUFKKGUEEVUMAN-LBPRGKRZSA-N 382.468 2.909 0 40 GFAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2S(=O)(=O)c1ccccc1 19712619 INVDUXQHOSNPSS-ZVDOUQERSA-N 384.501 2.902 0 40 GFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C(C)=O)nc2C)c1 19754000 UHKLOQIURWYCPN-IBGZPJMESA-N 382.464 2.797 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12226967 KGXJMJHDSBOGAU-SNVBAGLBSA-N 396.398 2.928 0 40 GFAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCCN1CCOCC1 19347100 WFOFJVGWZYOAES-UHFFFAOYSA-N 396.466 2.681 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccc(Cl)cc4[C@@H]3C2)cc1 36138325 NQVGCCOFRNYWER-SFHVURJKSA-N 390.892 2.779 0 40 GFAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 9154192 DKYBQETYJMXYKS-SNVBAGLBSA-N 395.308 2.543 0 40 GFAB O=C(c1onc2c1CCCC2)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888890109 RLHHTIRUQQZQPL-ZUOKHONESA-N 386.427 2.804 0 40 GFAB CC(=O)c1sc2nc(CN(C)Cc3ccc4c(c3)OCO4)[nH]c(=O)c2c1C 23990066 HVKSUTHYHADUII-UHFFFAOYSA-N 385.445 2.856 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 26527331 SDJNDPPOFXUHGN-UHFFFAOYSA-N 375.855 2.553 0 40 GFAB O=C(c1cncc(Br)c1)N1CCC[C@@H](COc2ncccn2)C1 1775995205 HVWAKOPEQNAODP-GFCCVEGCSA-N 377.242 2.565 0 40 GFAB COc1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cc1 2037985291 DWQMIDZYNVMACI-JOCHJYFZSA-N 380.444 2.591 0 40 GFAB CCN1C(=O)C[C@@H](c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21 4166287 QXAIZUXJGPSUBJ-SFHVURJKSA-N 375.446 2.975 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccco3)nn12)Nc1ccc2c(c1)OCO2 4376777 GSPLULPCLRBKCN-UHFFFAOYSA-N 395.400 2.844 0 40 GFAB CSc1ccccc1C(=O)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9121080 RSBQANOLOCHQOI-CYBMUJFWSA-N 386.429 2.892 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CC[C@@H](Oc2nccs2)C1 585320650 MNOFFKJHNOCWRQ-SNVBAGLBSA-N 389.296 2.748 0 40 GFAB O=C(O)/C=C/C(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1 113564270 JVGKQALPJVBTBS-ZNFPLGDCSA-N 396.424 2.690 0 40 GFAB Cc1cnc2c(S(=O)(=O)NCCc3ccc4c(c3)OCCO4)cccc2c1 40049819 MJSGPZWTVULURS-UHFFFAOYSA-N 384.457 2.835 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccoc3C)CC2)c1C 20002676 DDMUBLQAMYFKTM-UHFFFAOYSA-N 390.505 2.968 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccnc1OCc1ccccc1 40154805 HBGWLKMEPDIUKK-HNNXBMFYSA-N 379.416 2.688 0 40 GFAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)c12 40135151 QQUVZKRBIKSGLH-AAEUAGOBSA-N 397.504 2.731 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)CC2=O)c1C 31301235 SWSWZQWMYXQZHF-HNAYVOBHSA-N 388.414 2.784 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)c3ccccc3C)cc(C3CC3)nc21 32079293 QVKHXHHMAISIHX-CYBMUJFWSA-N 392.459 2.782 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc3nc(O)c(C(C)(C)C)nn23)cc1 4251446 MPIGIBBUDIMVHB-UHFFFAOYSA-N 386.481 2.816 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 4278983 DVKNLPLLTBOOFE-CECAUBDESA-N 394.427 2.830 0 40 GFAB C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@H]1CCCO1 32778227 MULUXFAMTLMVLQ-DNVCBOLYSA-N 377.444 2.742 0 40 GFAB COc1c(C)cccc1C(=O)NCc1cc(O)n2nc(-c3cccnc3)cc2n1 100744389 NXJRIHPCRQBPEA-UHFFFAOYSA-N 389.415 2.744 0 40 GFAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 21873001 YWLMQYWYJTXITE-KNBMTAEXSA-N 382.460 2.787 0 40 GFAB CN1CCC(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)CC1 2779213 OQVUTAUUQXZDIO-UHFFFAOYSA-N 393.369 2.832 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 667238 WDDAPLCNSASPQT-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB Cc1cccc(C)c1NC(=O)COc1cccc([C@@H]2CC(=O)Nc3ncnn32)c1 105941696 COLDNTZSKPUXQH-KRWDZBQOSA-N 391.431 2.844 0 40 GFAB Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(C(=O)O)cc2)C3)cc1 12447672 FNZVOTXOZOUUHB-GOSISDBHSA-N 377.400 2.690 0 40 GFAB C[C@H](C1CC1)N(Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O 105715034 YXEGSHQRRDHKTP-VQIMIIECSA-N 378.472 2.944 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccc(C)c3)CC2)CC1=O 25155000 CISUHJSLWZCBMM-SFHVURJKSA-N 393.487 2.705 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 1460954 LXEONESQCGSUNN-GOSISDBHSA-N 396.487 2.978 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1cccs1 25777986 ADDCDFABQKLUEF-CYBMUJFWSA-N 386.926 2.838 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3cccc(Cl)n3)CC2)c(OC)c1 56454287 WWHVBOKOLWYHEF-UHFFFAOYSA-N 390.871 2.784 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N2CCc3ccccc3C2)c1 3263192 FSEWDZCYYLZUHY-JXMROGBWSA-N 381.428 2.845 0 40 GFAB C/C=C/c1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c(OC)c1 78815467 GVXUSVUIDJVTCJ-WUTVXBCWSA-N 387.457 2.752 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 57525992 JVIQUDYVXXPNDL-UHFFFAOYSA-N 383.423 2.987 0 40 GFAB Cc1cc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)ccc1Br 26850920 YQGBTDVEQGRKDW-CQSZACIVSA-N 384.299 2.847 0 40 GFAB CC(C)c1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)nn1C(C)(C)C 44506852 FNJOVYVLBIZQRW-UHFFFAOYSA-N 383.496 2.950 0 40 GFAB CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 3347027 CQUZGZYBGKRDDF-UHFFFAOYSA-N 392.443 2.975 0 40 GFAB C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCCCC1 58405530 JAKCPTIFMQUYSZ-HOTGVXAUSA-N 380.483 2.965 0 40 GFAB CCOC(=O)C1=C(CN(C)Cc2ccc(C(F)(F)F)cc2)NC(=O)N[C@@H]1C 12751009 GSESAOTZBBAFJN-LLVKDONJSA-N 385.386 2.656 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nccs2)Cc2ccco2)cc1 12927829 SQECRRAUUSEQRR-UHFFFAOYSA-N 391.474 2.874 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)N1CC[C@@H]2CCCC[C@H]2C1 8339904 LKELSVOUYLUICZ-KBPBESRZSA-N 377.539 2.914 0 40 GFAB CCOc1ccc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 4173657 ZPZFMDHMYCBRPI-HNNXBMFYSA-N 379.503 2.976 0 40 GFAB COc1cccc(NC(=O)CNC(=O)c2cc3c(OC)cc(OC)cc3n2C)c1 13734281 SPBWTQKDKHSYPP-UHFFFAOYSA-N 397.431 2.573 0 40 GFAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985426 XZVWHWXQBPWNLV-SFHVURJKSA-N 388.489 2.686 0 40 GFAB CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@H]32)C1=O 5305361 QQDVZGUGNHZDOH-HNNXBMFYSA-N 375.856 2.682 0 40 GFAB CCOc1ccc([C@H]2CCCN2Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 14169440 VKVAGERFKYHSEF-LJQANCHMSA-N 392.459 2.689 0 40 GFAB Cc1ccccc1[C@H](C)NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 14199484 UBBZUKGYHPNVJD-INIZCTEOSA-N 379.460 2.729 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)c(Cl)c1 408626237 VEASIMFUUGZMQB-UHFFFAOYSA-N 376.906 2.712 0 40 GFAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 14215439 XZBSFYQHJPPDMJ-KRWDZBQOSA-N 386.427 2.531 0 40 GFAB Cn1c(N)c(-c2csc(Nc3ccccc3C(F)(F)F)n2)c(=O)n(C)c1=O 6589696 VNKFFHKOPIDWJK-UHFFFAOYSA-N 397.382 2.552 0 40 GFAB CC(C)[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 6661297 PEJXTNSZQSNIAU-HXUWFJFHSA-N 395.411 2.727 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1 14804650 VXKWFPNFOMAIQQ-UHFFFAOYSA-N 388.445 2.807 0 40 GFAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c1 8771060 RRCCNOTZYMQJDC-HNNXBMFYSA-N 377.400 2.928 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC(=O)N4)C2=O)cc1 7989221 DGVMPTZTUPSPHY-JOCHJYFZSA-N 391.427 2.530 0 40 GFAB CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(OC)cc2OC)C1=O 9009280 IYUNTXJINBRJRQ-DTQAZKPQSA-N 375.425 2.658 0 40 GFAB COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71284281 USGLRNUNCIAPED-OLZOCXBDSA-N 389.433 2.699 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1 9205565 IOBLVTHGLZVOTI-UHFFFAOYSA-N 377.400 2.970 0 40 GFAB COc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)c1 9237915 BCUSSUXGADLAQI-DLBZAZTESA-N 381.461 2.993 0 40 GFAB COc1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1OC 96001037 WSBDRECALJLTJQ-MRXNPFEDSA-N 395.415 2.968 0 40 GFAB Cc1nn(C)c(C)c1NS(=O)(=O)c1c(F)cc(F)cc1Br 9367514 VZLHNUYWZREXHI-UHFFFAOYSA-N 380.214 2.878 0 40 GFAB CN1CC2(CCN(Cc3ccncc3)CC2)c2nn(-c3ccccc3)cc2C1=O 306124708 BXFIDIMMJFBVEU-UHFFFAOYSA-N 387.487 2.887 0 40 GFAB Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1 72301822 NRAPXFVQYSDDKY-OAHLLOKOSA-N 382.399 2.980 0 40 GFAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 408733566 KEPNROCMMQHFKH-MPTQWLOMSA-N 387.741 2.554 0 40 GFAB Cn1nc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 98211699 VIFGFVFPRFPXHU-UHFFFAOYSA-N 386.459 2.926 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20488278 REQTXSMMJHQEJV-CYBMUJFWSA-N 396.896 2.992 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@H](C)c1ccccc1 409392345 RKUWEEFZBFLZRY-MRXNPFEDSA-N 390.505 2.938 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3cccc(F)c3)cn2)cc1 408527555 BXBBQPQDOCHHOF-UHFFFAOYSA-N 386.408 2.977 0 40 GFAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(CC(=O)N2CCCC2)C1 72358551 MSYPPIPIPJLPSQ-QGZVFWFLSA-N 380.492 2.954 0 40 GFAB N[C@@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218650043 YDTFOIOJMDROAO-YCPHGPKFSA-N 386.256 2.715 0 40 GFAB CN1CCN(c2cc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)ncn2)CC1 77200512 MDOBPHXPTFWFLG-UHFFFAOYSA-N 396.373 2.771 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1OC 60387296 NHKAFJWYNNEFPY-UHFFFAOYSA-N 393.443 2.581 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 72390765 RUBDUIZSCNFHGY-OXQOHEQNSA-N 380.492 2.952 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44933564 NOKIOGRCROWFOV-BEFAXECRSA-N 388.489 2.708 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC([C@@H]2C[C@H](N)CCO2)CC1 566849934 HTFCYEVVFUXUQP-KNQAVFIVSA-N 396.535 2.777 0 40 GFAB COc1ccc(-c2nnc3sc(NC(=O)COc4ccccc4)nn23)cc1 41076464 LDSJPNQLCWYATL-UHFFFAOYSA-N 381.417 2.879 0 40 GFAB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1 224685586 PAJBYXLDHJMPCN-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB CSCC[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1nnc2ccccn12 96116959 DMOZNCZURUXXQB-LBPRGKRZSA-N 382.449 2.937 0 40 GFAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 247753744 YAEVQIRETLHCFR-HNNXBMFYSA-N 378.444 2.566 0 40 GFAB C[C@@H]1Oc2ccccc2N([C@@H](C)C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)C1=O 253373713 JXHLWIMWEXMXIB-IKGGRYGDSA-N 387.524 2.816 0 40 GFAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)C(C)(C)n2cc(N)cn2)CC1 662682970 LERZGDCKBQVZFO-CQSZACIVSA-N 375.904 2.759 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@H](C(=O)O)C1CCCC1 663079579 QRHIZDRNURPNLS-MRXNPFEDSA-N 382.844 2.684 0 40 GFAB Cc1cc(OC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc(C)n1 390829230 XPKKZQZWIJOJMN-UHFFFAOYSA-N 383.420 2.604 0 40 GFAB CCCN(CC1CC1)C(=O)Cc1cc(=O)n2nc(C)c(-c3cccnc3)c2[nH]1 575402407 RVKMGBBPVMKTSJ-UHFFFAOYSA-N 379.464 2.584 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC)cc3)no2)c1=O 823024303 VVPKRCIYQYWXRS-UHFFFAOYSA-N 392.415 2.680 0 40 GFAB CC(C)c1nc(C2CCN(C(=O)c3ccnc(N4CCO[C@H](C)C4)c3)CC2)no1 585085845 AZSGFIBOJDCYMH-OAHLLOKOSA-N 399.495 2.833 0 40 GFAB O=C(CCN1CCCCCC1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161613 ZUOBKUMCKFHKHR-HSZRJFAPSA-N 399.535 2.677 0 40 GFAB CC(=O)NCc1ccc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)cc1 1615611457 MNYDNUIMQGUOQI-WKCHPHFGSA-N 399.535 2.679 0 40 GFAB CCn1c2cc(C)oc2c2cnn(CC(=O)N[C@@H](C)c3ccccn3)c(=O)c21 12117733 MEODCPYVXRCPKB-ZDUSSCGKSA-N 379.420 2.545 0 40 GFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)on1 12118455 MCUGFCGLGGQNEI-MRXNPFEDSA-N 380.452 2.660 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCCc3ccccc3)n2)s1 12181707 CTUCIFPCWIVMMU-AWEZNQCLSA-N 382.489 2.782 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)cc2)cc1 12623435 CEIUBENMNJXKPS-UHFFFAOYSA-N 395.868 2.606 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)NC(C)C 13677655 GXASFZGMZFADJJ-UHFFFAOYSA-N 396.896 2.965 0 40 GFAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715380 ZPEJDHUNAWCBOY-GOSISDBHSA-N 394.468 2.695 0 40 GFAB CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 19083676 UYBKOFMWQBWWOH-AWEZNQCLSA-N 382.512 2.505 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2=O)c(C)c1 19666380 PTOWZLMWJWCYAJ-CQSZACIVSA-N 379.416 2.626 0 40 GFAB CCOc1ccc(OCC(=O)N2CCN(Cc3nc(C)cs3)CC2)cc1 21687249 VQCLSSMYDWPEJW-UHFFFAOYSA-N 375.494 2.573 0 40 GFAB O=S(=O)(c1cccnc1)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888916646 AOQAKOJVXIPBKJ-MRXNPFEDSA-N 396.472 2.628 0 40 GFAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)C1(c2ccccc2)CCOCC1 1888930673 RBSKTIHZCQXESP-OAQYLSRUSA-N 391.471 2.770 0 40 GFAB COc1cc(C2SCCS2)ccc1OC(=O)CCN1C(=O)CCC1=O 29763503 LYCQKVKBWISZCA-UHFFFAOYSA-N 381.475 2.618 0 40 GFAB O[C@H]1CCN(C2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)C1 1776001452 UDWXOTHJLVEUDN-LBPRGKRZSA-N 394.235 2.898 0 40 GFAB O=C1COC[C@]2(CN(Cc3ccccc3Cl)CCO2)CN1c1ccccc1 2037984171 SAUZSLOBXUIKSU-NRFANRHFSA-N 386.879 2.974 0 40 GFAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(C(N)=O)cc3)oc2c1 3108423 WBRDSNHXAHTZBW-FLFQWRMESA-N 378.432 2.709 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)C3CC3)scc12 4121245 CESVONSLTQLPLP-UHFFFAOYSA-N 383.429 2.972 0 40 GFAB COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1 4497743 IOWUDJQOZKRGON-QGZVFWFLSA-N 396.468 2.932 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1 5191412 KDUPOERKAQVHNB-MRXNPFEDSA-N 382.420 2.581 0 40 GFAB COc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC 5252559 NUOUIPQGVTXFJD-UHFFFAOYSA-N 397.431 2.580 0 40 GFAB CCOc1ccc(N2C(=O)N(c3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8768139 LNJGXJHRBQPBEJ-QZTJIDSGSA-N 390.436 2.837 0 40 GFAB COc1ccc(N2C[C@H](CNC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 9039169 UMNUITSPZZFXBL-ZDUSSCGKSA-N 383.404 2.599 0 40 GFAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cccc(Cl)c4)C[C@@H]3C2=O)cs1 2055771714 RZVXILKROVHIOP-CJNGLKHVSA-N 375.881 2.836 0 40 GFAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 225575582 UDJZTZGJTZFPLF-CQSZACIVSA-N 399.919 2.751 0 40 GFAB CC(C)c1cc(C(=O)N2CC[C@@H](c3nn(CCN)c4nccnc34)C2)cs1 19452170 ZIGXTIHELRLRJY-CYBMUJFWSA-N 384.509 2.600 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 35876511 RSJWOWVMKRUPFD-LEWJYISDSA-N 377.488 2.947 0 40 GFAB O=C(Nc1nc(CN2CCCCC2)cs1)C1CCN(C(=O)C2CC2)CC1 40037694 SJRTXWVNBLSLTM-UHFFFAOYSA-N 376.526 2.716 0 40 GFAB Cc1ccc(NS(=O)(=O)CCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1F 40109002 OEDGJECFXBMIRN-ZDUSSCGKSA-N 398.431 2.599 0 40 GFAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1ccc(N2CCCCC2)cc1 40143232 QWRFJPXPPHPNDE-UHFFFAOYSA-N 377.466 2.786 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(OC[C@H]2CCCO2)c1 40121088 IOSXUFHFXIEAOB-QGZVFWFLSA-N 381.494 2.930 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NCc1ccco1 20258757 VKPIMBDTVPESFI-UHFFFAOYSA-N 394.811 2.520 0 40 GFAB CCOC(=O)c1c(N)sc2c1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]21 100435623 IQOIFVALVZGMDY-OLZOCXBDSA-N 376.478 2.855 0 40 GFAB CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@H]1CCCO1 51554940 IMDCWMLJIQROQZ-GOSISDBHSA-N 388.508 2.844 0 40 GFAB COC(=O)C1CCN([C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 20718356 VKHFFYBFKQQCQG-HNNXBMFYSA-N 395.253 2.941 0 40 GFAB COc1ccc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)c1 20721885 MOKRNOYOALNDOG-QGZVFWFLSA-N 397.460 2.763 0 40 GFAB CN(C)C(=O)Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc21 1340158 NPGHLOZDNMDUGE-UHFFFAOYSA-N 394.500 2.806 0 40 GFAB COc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1OC(F)F 32764597 XIOADMXCFFMMAW-UHFFFAOYSA-N 375.331 2.645 0 40 GFAB Cc1ccc(-c2nnc(CCC(=O)O[C@H](C)C(=O)Nc3cc(C)on3)o2)cc1 32777505 GKUVCPQDWZWGDV-CYBMUJFWSA-N 384.392 2.844 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1NS(C)(=O)=O 32771543 XGEGDRMUYDOHDX-LLVKDONJSA-N 381.429 2.645 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3OC)C2)cc1OC 6590542 UAWFOZBVTNTNDA-MRXNPFEDSA-N 390.461 2.823 0 40 GFAB CCOc1cc2c(cc1NC(=O)CN1C(=O)[C@@H]3CCCC[C@H]3C1=O)O[C@H](C)C2 102859206 KYBRWCWEMQBWAY-BPLDGKMQSA-N 386.448 2.522 0 40 GFAB COc1ccc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)c(OC)c1 8456594 XXUVPCKGXVVBNK-UHFFFAOYSA-N 377.447 2.733 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 646702 UBQRAWPEUKNLMX-UHFFFAOYSA-N 398.282 2.783 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)cc12 22473025 MTHBQERCRNPKNG-UHFFFAOYSA-N 392.394 2.522 0 40 GFAB COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106758471 LORMXDGIAFWHPJ-PTNGSMBKSA-N 388.445 2.522 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(Cc3ccsc3)CC2)c1 22935238 ZZNTUROCYRUBRD-OAHLLOKOSA-N 389.521 2.910 0 40 GFAB O=S(=O)(c1ccccc1CNc1nc2ccccc2s1)N1CCOCC1 23030352 UYMDUMUWNZJABB-UHFFFAOYSA-N 389.502 2.929 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccnc1Oc1ccccc1 106525556 OEBNDCLHEIACML-YXUGBTPSSA-N 389.411 2.620 0 40 GFAB COc1ccc(-n2ccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)n2)cc1 56092276 GWYYTVGLNYWEFT-UHFFFAOYSA-N 378.367 2.853 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC 26676378 REVFKSZCYJJGOY-ZDUSSCGKSA-N 390.867 2.834 0 40 GFAB CC(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 57316609 HTOKDFIFTSCWBR-UHFFFAOYSA-N 390.553 2.850 0 40 GFAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 20214991 JRVTZHQROHACQU-UHFFFAOYSA-N 393.896 2.975 0 40 GFAB Cc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2)cc1 3263886 VRDUXTCGOHQDBB-MRXNPFEDSA-N 381.450 2.640 0 40 GFAB Cc1c(CCC(=O)NCC2CCC(C(=O)O)CC2)c(=O)oc2cc(O)ccc12 2103605 YGSACYKGVCBPLQ-UHFFFAOYSA-N 387.432 2.747 0 40 GFAB biogenic Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc12 10309871 UVXZMBITAWWLBH-SNVBAGLBSA-N 377.491 2.838 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 28105584 FBLVUHTZGTUILR-HNNXBMFYSA-N 394.479 2.617 0 40 GFAB COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc(Cl)c1OCC(N)=O 10817825 WQPLADCIFSFBBQ-JTQLQIEISA-N 380.803 2.843 0 40 GFAB C[C@H](Cn1cc(Cl)cn1)NCC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619571 XWOWFNXAEIXTQL-CYBMUJFWSA-N 395.854 2.502 0 40 GFAB CCc1ccc(-c2nnn(CC(=O)N3CCN(c4cccc(C)c4)CC3)n2)cc1 11294598 XXPLLXRKDSQQFV-UHFFFAOYSA-N 390.491 2.560 0 40 GFAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(N2CCOCC2)cc1 3332429 YXUWMXQGNIANBA-UHFFFAOYSA-N 381.432 2.850 0 40 GFAB COc1ccc(OCc2nnc(SCC(N)=O)n2-c2ccccc2F)cc1 3359881 HENZVGQHQABAMJ-UHFFFAOYSA-N 388.424 2.571 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(Nc2ccccc2OCC)s1 3470131 HBNNBNZBBXDKOP-UHFFFAOYSA-N 381.483 2.618 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCCCCC2)Oc2ccc(Cl)cc21 38835853 LVWBEEVJCJZVSK-INIZCTEOSA-N 386.901 2.660 0 40 GFAB O=S(=O)(CCN1CCCN2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl 69491300 DPWUTCDGLHTHCO-CQSZACIVSA-N 377.337 2.937 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(F)cc1 6087364 JTJCXKNBFSJMMQ-QFIPXVFZSA-N 395.434 2.962 0 40 GFAB COc1cc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc(OC)c1 4315113 WJLAMSXNUAYRHN-UHFFFAOYSA-N 399.422 2.849 0 40 GFAB C[C@@H]1CN(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)C[C@@H](C)O1 4351286 ZOGQMZHQYRDIIT-HZPDHXFCSA-N 381.428 2.710 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1sccc1C(N)=O 5244096 HTIZFTZWSBCOJW-UHFFFAOYSA-N 385.401 2.606 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CC=C(c2ccccc2)CC1 14197322 AFQWDDGDJVSPAC-UHFFFAOYSA-N 393.487 2.693 0 40 GFAB CC(=O)c1sc2nc(CSc3nnnn3C3CCCC3)[nH]c(=O)c2c1C 8544742 YXBSDKHLJXTYNW-UHFFFAOYSA-N 390.494 2.890 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3o2)c1 5668312 ORQFMIGKQBACJG-UHFFFAOYSA-N 391.474 2.809 0 40 GFAB Cc1ccc(N2N=C(C(=O)Nc3ccc(C(N)=O)cc3)CCC2=O)cc1Cl 8749443 TYFXBOXANCLYAB-UHFFFAOYSA-N 384.823 2.869 0 40 GFAB C[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 5991439 SUNZRFOHOPIQIF-LLVKDONJSA-N 387.263 2.667 0 40 GFAB C[C@H]1CCCN(c2nc3ncn(CC(=O)N(C)c4ccccc4)c(=O)c3s2)C1 67226195 CNNZANOZPOYMGQ-AWEZNQCLSA-N 397.504 2.752 0 40 GFAB CCOC(=O)C[C@H](c1cccc(OC(C)C)c1)c1oc(CO)cc(=O)c1O 71282126 ODQOWSLYLRLZOP-MRXNPFEDSA-N 376.405 2.710 0 40 GFAB CNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 67494133 PALOBDNSOURVJA-GOSISDBHSA-N 399.878 2.872 0 40 GFAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(Br)cc1 7247899 LAENBUADZDRPFM-UHFFFAOYSA-N 380.223 2.966 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8914061 VETLWDZWXNBKAO-INIZCTEOSA-N 394.475 2.682 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cc(C)c1C 15866610 XUHBBSLZJLEKOS-UHFFFAOYSA-N 385.445 2.863 0 40 GFAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)NCCC1=CCCCC1 7807024 SLXHFCRVDZUCOB-HUUCEWRRSA-N 398.459 2.610 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 16261927 UGXKUZICXAVOQC-MRXNPFEDSA-N 388.880 2.771 0 40 GFAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc(OC)c(OC)c3)cc2c1 8917944 DWSQIRYWTBJSIO-UHFFFAOYSA-N 382.416 2.826 0 40 GFAB biogenic CCn1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(=O)c2ccc(C)nc21 7990884 ORFNICSWCPPPDT-AWEZNQCLSA-N 393.443 2.987 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3occc32)c1 83851346 MNFXZXSZHINRMB-OAHLLOKOSA-N 382.869 2.991 0 40 GFAB COc1ccc(OCC(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1 9668746 KARVWVXRAIMHNJ-UHFFFAOYSA-N 381.417 2.879 0 40 GFAB CC(C)C(=O)N1CCC[C@H](C(=O)NCc2cc(N(C)C)nc3ccccc23)C1 72304644 IBCLSNUINVOOKE-INIZCTEOSA-N 382.508 2.812 0 40 GFAB Clc1cc2c(cc1CN(CCN1CCOCC1)Cc1cccnc1)OCO2 22931409 ATEKDPJYBMLALR-UHFFFAOYSA-N 389.883 2.798 0 40 GFAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCCN1CCOCC1)C3 95481163 ILSUOWOTBUZOSR-UHFFFAOYSA-N 378.856 2.629 0 40 GFAB O=C(NC[C@@H](Cc1ccccc1F)C(=O)O)c1ccc(Cn2cccn2)cc1 95425384 XXCGFLGFBLMMOT-GOSISDBHSA-N 381.407 2.744 0 40 GFAB COc1ccc(-c2noc(CN3CCN(CCCN4CCCCC4)CC3)n2)cc1 95954723 AXMSEUYVIIYQJF-UHFFFAOYSA-N 399.539 2.739 0 40 GFAB Cc1ccc(NC(=N)Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)cc1 9935239 GFXWGZGORTWACX-UHFFFAOYSA-N 387.494 2.989 0 40 GFAB C[C@H](C(=O)NCc1ccc(CN(C)C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 89478746 MEUDBDWRSKGECE-CYBMUJFWSA-N 396.459 2.505 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1 28208227 QRVVSXRNOWAWEN-UHFFFAOYSA-N 388.917 2.762 0 40 GFAB CCn1cc([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c(C)n1 36619472 IOMKTQYVUXJSTM-LLVKDONJSA-N 393.451 2.948 0 40 GFAB O=C(c1ccco1)N1C[C@H](c2nccs2)[C@]2(CCN(CC3CCC3)C2=O)C1 306142315 WVVJXCHIRRNRKA-QRWLVFNGSA-N 385.489 2.995 0 40 GFAB O=S(=O)(NCc1ccc(OCc2ccccn2)cc1)c1cn2c(n1)CCCC2 503444743 BAKOBAIFHYZCMW-UHFFFAOYSA-N 398.488 2.672 0 40 GFAB CCn1cc(CN2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306141170 VMZDFMXSEUMCGU-QUCCMNQESA-N 383.473 2.918 0 40 GFAB Cc1ccc2c(=O)cc(C(=O)N3CCN(Cc4ccncc4)CC3)oc2c1C 35681768 LZOZWWUERVVPAT-UHFFFAOYSA-N 377.444 2.763 0 40 GFAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN([C@H]1CCS(=O)(=O)C1)C3 13692478 DNESVWNNBMELOE-INIZCTEOSA-N 397.452 2.799 0 40 GFAB biogenic CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 15953808 IBCZDZZYWPWXAW-BBATYDOGSA-N 389.448 2.967 0 40 GFAB biogenic CNC(=O)c1cc(S(=O)(=O)NCc2ccc(C(C)C)cc2)ccc1OC 223876421 YQJMEVPNYBFDOJ-UHFFFAOYSA-N 376.478 2.657 0 40 GFAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N2 40386775 SAGLWLSLQUIRJX-QMMMGPOBSA-N 387.749 2.856 0 40 GFAB CCC(CC)C(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2ccco2)s1 41085519 KVUCMNKZZFERCQ-UHFFFAOYSA-N 386.499 2.717 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)COc2ccc(C)cc2)ccc1C 225080018 FUEPTLLPZAXWGY-OAHLLOKOSA-N 377.462 2.836 0 40 GFAB CCCc1ccc(OCCNS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 224344569 WVGXRWIJVHQFAH-UHFFFAOYSA-N 391.489 2.924 0 40 GFAB COc1cccc(CN(C)C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 224511079 TXHJWNQKIZWDDF-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)cc1 222659648 MDXQTGJZLCZIDY-INIZCTEOSA-N 390.505 2.767 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1 222855531 GOAOPBJGUSNWGG-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB CC(C)n1cnc2c1[C@H](C(=O)N1CCC(N3CCCC3)CC1)N(CC1CC1)CC2 96265041 GYYQGROWOZODQD-JOCHJYFZSA-N 399.583 2.860 0 40 GFAB O=C(c1ccc2ncccc2c1)N1CCCn2nnc(CN3CCCCC3)c2C1 96259585 VVIATPSUBLNRHM-UHFFFAOYSA-N 390.491 2.858 0 40 GFAB O=S1(=O)CCN(c2cccc(N[C@H]3CCN[C@@H](c4ccccc4)C3)c2)CC1 580049415 SDNUXHZONBGNEG-PZJWPPBQSA-N 385.533 2.827 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 260892644 BPAOPEQELJCSLA-NSHDSACASA-N 380.388 2.585 0 40 GFAB NC[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 638268773 PTCAQCXJAYNCSD-WMZOPIPTSA-N 392.931 2.715 0 40 GFAB O=C1NC2(CC(c3ccccc3)C2)C(=O)N1Cc1nccn1CC(F)(F)F 657268564 LFMADRRUPPLCRW-UHFFFAOYSA-N 378.354 2.814 0 40 GFAB CCc1csc([C@H]2CCCN(S(=O)(=O)c3cnc(C)c(C(=O)O)c3)C2)n1 567804639 RBZZXMUYBIHHRZ-LBPRGKRZSA-N 395.506 2.675 0 40 GFAB O=C(CCCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1)c1ccccc1 96104340 OXSFEABLFUAPBF-UHFFFAOYSA-N 377.506 2.998 0 40 GFAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)OC1 575404915 FQBCDJGCKXURHA-RMJOCGACSA-N 386.536 2.833 0 40 GFAB Cc1c(/C=C2\NC(=S)NC2=O)c2ccccn2c1C(=O)c1ccc(F)cc1 3422717 BHFYCNQBHTYDAH-GDNBJRDFSA-N 379.416 2.963 0 40 GFAB Cc1ccccc1-c1noc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1 5342654 MITONMRGTFHCQF-NRFANRHFSA-N 390.399 2.775 0 40 GFAB O=C1C[C@H](c2nc(-c3ccc4c(c3)OCO4)no2)CN1c1ccc2c(c1)OCO2 12416223 FSHYMIOXRUWRLZ-LBPRGKRZSA-N 393.355 2.715 0 40 GFAB Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)COc4ccccc4)CN3C)n2)cc1 12529723 CQOAEPMYJZNBPG-HKUYNNGSSA-N 392.459 2.985 0 40 GFAB biogenic,in-vitro Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12740378 PUFNLQUWNSMIOU-ZDUSSCGKSA-N 395.438 2.535 0 40 GFAB Cc1nc2ccccc2nc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 12981851 QSZNHWYQVIFBBF-NRFANRHFSA-N 390.399 2.634 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715368 DXAJIUBHIUABDA-GOSISDBHSA-N 378.469 2.995 0 40 GFAB CCOC(=O)COc1ccccc1CNS(=O)(=O)Nc1ccc(Cl)cc1 16682856 ZGKCTIIPFNSEMW-UHFFFAOYSA-N 398.868 2.728 0 40 GFAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 18164100 JUJRYFQPETYALS-JKSUJKDBSA-N 399.878 2.961 0 40 GFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC[C@H]1CCN1CCCC1 19577606 BTPVVGWESJLHBQ-HNNXBMFYSA-N 390.500 2.924 0 40 GFAB O=C(c1sc2ncccc2c1[C@@H]1CCN(c2ncccn2)C1)N1CCOCC1 19701977 WWEBOVADOGTZBD-CQSZACIVSA-N 395.488 2.553 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@@H](C(=O)N3CCCCCC3)C1)n2C 19747360 UTHQUMKCOLLEGA-HXUWFJFHSA-N 383.492 2.730 0 40 GFAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NC1CCCC1 4583876 SAEGDJIBZILRST-UHFFFAOYSA-N 382.460 2.636 0 40 GFAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)Cc3ccc(F)cc3)C1)CNC2=O 19562827 QSRUOLGQSPPHQF-QFIPXVFZSA-N 398.434 2.560 0 40 GFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 36398443 SEAQEISJTKSSNU-SFHVURJKSA-N 392.394 2.946 0 40 GFAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3cccc4c3OCCO4)CC2)n1 1775995424 UWSCQZISBLVXDU-UHFFFAOYSA-N 397.475 2.789 0 40 GFAB Cc1nc(C(=O)N2CCC3(CC2)CN(C(=O)c2ccsc2)CCO3)cs1 1565554066 QSUVMWLGHJSAKE-UHFFFAOYSA-N 391.518 2.660 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479699 DOHHPLLKNCANQY-GOEBONIOSA-N 393.443 2.724 0 40 GFAB C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 15276210 HNSNKMPSOKDMRK-RWJXWUDYSA-N 397.434 2.785 0 40 GFAB CCN1CCN(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)C(=O)C1=O 207000420 HYZRUAXQCWBUJP-OAHLLOKOSA-N 395.912 2.631 0 40 GFAB O=C(O)C[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)c1ccccc1 5234568 BWTGJUOFMLAJGC-INIZCTEOSA-N 396.424 2.900 0 40 GFAB CCCc1cc2c(cc1NS(=O)(=O)c1ccc3oc(=O)n(C)c3c1)OCO2 8783516 JEYBGULFXATPMV-UHFFFAOYSA-N 390.417 2.614 0 40 GFAB COc1c2c(cc3c1[C@H](c1nnnn1-c1cc(C)cc(C)c1)N(C)CC3)OCO2 20412827 LLSGGTBMFBBUDC-GOSISDBHSA-N 393.447 2.594 0 40 GFAB biogenic CCOC(=O)CCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1 216758573 JHXPFWZVVRKJDX-UHFFFAOYSA-N 378.432 2.926 0 40 GFAB O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 40160981 FPQRRJDAAHDTNY-CQSZACIVSA-N 380.429 2.890 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1Cc1ccccc1F 40131341 NLHNDZKOMRCBTR-ZZEZOPTASA-N 396.509 2.912 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1 31669694 WFHPHTIJBNNDRX-UHFFFAOYSA-N 387.429 2.510 0 40 GFAB COCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2n2nnnc12 1376920 PZJDKYWBUPQTRC-UHFFFAOYSA-N 375.432 2.761 0 40 GFAB CCn1c(S)nc2cc(C(=O)N[C@H](C)CC[C@@H]3CCCO3)ccc2c1=O 102043478 KVFUDCGVNDOCDO-OCCSQVGLSA-N 375.494 2.783 0 40 GFAB O=C1CCc2cc(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)ccc2N1 32843043 YMWIUWNXHFYJQF-UHFFFAOYSA-N 377.444 2.606 0 40 GFAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O 4849310 SLJMCDYQYOPULF-UHFFFAOYSA-N 384.461 2.521 0 40 GFAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 6818402 UUDXTIBJVLSSIU-UHFFFAOYSA-N 382.511 2.965 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)o1 6810288 ZSFZETCYNZUONT-OAHLLOKOSA-N 397.880 2.836 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1Cl 10371855 RMCPZZRYSYFCLG-GFCCVEGCSA-N 376.906 2.665 0 40 GFAB O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298442 JOZZIFDQLUCCGP-ZACQAIPSSA-N 394.504 2.751 0 40 GFAB biogenic,in-vitro COC(=O)c1ccc(CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)cc1 8751071 JAWXQDIBHBXMHP-MDWZMJQESA-N 378.428 2.930 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F)c1ccccc1F 8810644 QKHCQHZLXQYJOK-LBPRGKRZSA-N 396.415 2.674 0 40 GFAB CCn1c(CNC(=O)CNC(=O)c2ccc(OC(C)C)cc2)nc2ccccc21 9338000 BUMRLSPIRYXABZ-UHFFFAOYSA-N 394.475 2.890 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CN(C)C)CC2=O)cc1 22518455 SGLOMXBZFSORIX-IBGZPJMESA-N 395.503 2.816 0 40 GFAB Cc1sc2ncn(CC(=O)NCCO[C@@H]3CCCC[C@H]3C)c(=O)c2c1C 47188671 CDSMVPLCNMVQNB-IUODEOHRSA-N 377.510 2.786 0 40 GFAB CSc1ccccc1N1CCN(CC[C@@H]2Oc3cccnc3NC2=O)CC1 1395268 OXRDTXWCAFUSPL-KRWDZBQOSA-N 384.505 2.715 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 61718364 QEPPDGINTDEIHQ-MJGOQNOKSA-N 382.416 2.640 0 40 GFAB Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Br 27981749 AFCMTYPBGJLTJB-UHFFFAOYSA-N 395.276 2.750 0 40 GFAB COc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1N1CCCC1=O 12560868 RDVMLWQARCFQEV-UHFFFAOYSA-N 382.388 2.901 0 40 GFAB Cc1cc(CN2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)on1 23195632 ISPZBAGQSXVFJT-UHFFFAOYSA-N 380.448 2.915 0 40 GFAB CCOc1cccc(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)c1 22395545 KYGYXPIFBRKOBE-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB COCCC(=O)N1[C@@H]2CC[C@@H]1c1c(nc(N(C)C)nc1Nc1ccccc1)C2 100222877 MWJQQFBEQRSWRN-NVXWUHKLSA-N 381.480 2.911 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@H](C(=O)O)c1ccccc1 2091804 CWXYOXOAQULLBF-FQEVSTJZSA-N 393.395 2.603 0 40 GFAB biogenic CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2098415 LQECMMNXGMMWGH-XIKOKIGWSA-N 387.432 2.665 0 40 GFAB biogenic NC(=O)[C@@H]1CCCN1Cc1ccccc1NC(=O)CCC(=O)c1ccccc1 58341871 BIUWGGFSLQAQJQ-IBGZPJMESA-N 379.460 2.738 0 40 GFAB Cc1ccc(-n2cnnc2SCCNS(=O)(=O)c2ccccc2)c(C)c1 48187656 DGZKBHNJIDHLIF-UHFFFAOYSA-N 388.518 2.955 0 40 GFAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)c1cc2ccccc2o1 3368062 HOZSYVOPDRXYTE-ZHACJKMWSA-N 399.424 2.749 0 40 GFAB CN(CCC(=O)Nc1ccnn1C1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 28845541 ZACWJAPXYDOLIA-UHFFFAOYSA-N 394.479 2.695 0 40 GFAB CN(C)S(=O)(=O)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12760672 DAKURMQZPKICSX-UHFFFAOYSA-N 389.502 2.781 0 40 GFAB COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 12901049 ZOQUZUQRTRSEAU-UHFFFAOYSA-N 384.461 2.765 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)Nc1ccccc1Cl)C2=O 13041577 QHTWWSJJCUZPHS-ORAYPTAESA-N 392.887 2.669 0 40 GFAB COc1ccc(CN(C(=O)c2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 4185639 DWIIRHNOSIRTRJ-KRWDZBQOSA-N 389.473 2.533 0 40 GFAB O=C(NC(=S)NCc1ccco1)c1ccc(I)cc1 408626315 GLOQJWNEJWLYLP-UHFFFAOYSA-N 386.214 2.689 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C1 6028212 GKQXIVKWZBPHEN-IYBDPMFKSA-N 388.508 2.762 0 40 GFAB CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 5297908 CPRKHVFCHXANHW-IBGZPJMESA-N 397.500 2.982 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(=O)O)cc2)cc1C 4539303 WRVGHOLOTZMSPI-UHFFFAOYSA-N 383.433 2.708 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 8728947 OPRBPRDJOXWJFV-UHFFFAOYSA-N 397.500 2.682 0 40 GFAB CCOC(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1 5555478 FCENRMFYJYNNRC-UHFFFAOYSA-N 379.409 2.556 0 40 GFAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OCC)c(Cl)c2)n1 4739876 ZJHQFCVUMWSSTQ-UHFFFAOYSA-N 382.877 2.652 0 40 GFAB Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCOCC2)c2ccccc21 4734657 GKJOXTFRBBFFJX-JOCHJYFZSA-N 389.455 2.582 0 40 GFAB Cc1cccc(C)c1NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1 8762005 NYVXGNCTJDCYKA-UHFFFAOYSA-N 387.509 2.797 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4835028 GNOPCSRIKBFHNE-CQSZACIVSA-N 383.423 2.956 0 40 GFAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(Cl)c1 6975882 MBYUXRRJYYATGP-UHFFFAOYSA-N 381.810 2.805 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 7061681 MHHQXQOIRGABOI-DOMZBBRYSA-N 396.399 2.805 0 40 GFAB CCCn1c(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c2ccccc21 7025740 RUTLEUSMPQEURY-UHFFFAOYSA-N 383.448 2.547 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 7360763 ZNURUGPFVACDBN-UHFFFAOYSA-N 389.477 2.974 0 40 GFAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 7777035 QNJBRWHUVSHFDF-LJQANCHMSA-N 378.428 2.946 0 40 GFAB CCN(CC)CCCC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 96007913 IBYXXRSSSYGOKM-RTWAWAEBSA-N 379.589 2.990 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3Cc3c(F)cccc3Cl)no2)cn1 96001797 NOGDNFWWMMYQCK-HNNXBMFYSA-N 377.807 2.836 0 40 GFAB O=C(c1cc2c(F)cccc2s1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9582086 UMUHCWUMAZCYCE-CHWSQXEVSA-N 397.493 2.849 0 40 GFAB COc1ccc(NC(=O)Cc2csc(N3CCCNC3=O)n2)cc1Cl 83953100 YSLAEONEBJCXSB-UHFFFAOYSA-N 380.857 2.906 0 40 GFAB COc1cc(S(=O)(=O)N2CCC[C@H](C)C2)c(OC)cc1Br 72414662 ROOCXCGFNIQHFA-JTQLQIEISA-N 378.288 2.887 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cnn(C)c1C 95998459 QAVLUTNKUYAERK-FQEVSTJZSA-N 393.491 2.804 0 40 GFAB CCCCC12CN3CC(C)(CN(C1)C3c1cc3cc(OC)ccc3[nH]c1=O)C2=O 79191885 AJEHZRPRIGHSDZ-UHFFFAOYSA-N 395.503 2.932 0 40 GFAB biogenic COC(=O)[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccccc1 60318038 QFABJGZMBXCCER-GOSISDBHSA-N 378.432 2.798 0 40 GFAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N3CCOCC3)n2)cc1 64579631 LYNYHNOEPOAKSG-UHFFFAOYSA-N 379.416 2.950 0 40 GFAB CC(C)COC(=O)N[C@@H](C)C(=O)OCC(=O)c1ccc(Br)cc1 409002957 QJKJOQXAZIUYPY-NSHDSACASA-N 386.242 2.946 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2ccccc2Br)cc1 48620540 RQJQEYXBRDMIMX-UHFFFAOYSA-N 377.238 2.755 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 223060075 GNTMNUQUOWVHDX-FQEVSTJZSA-N 384.476 2.936 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 224282198 ACFQGSPLWFJWKY-CYBMUJFWSA-N 392.477 2.875 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 223586716 QANSJXPKBCMETQ-OALUTQOASA-N 382.464 2.976 0 40 GFAB O=C(CSCc1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101273 WIXDFYAWXAFLBJ-UHFFFAOYSA-N 394.500 2.552 0 40 GFAB C[C@](NCc1csc(-c2ccc(C(N)=O)cc2)n1)(C(=O)O)c1ccccc1 1593311281 DQDCVIKEXSCUMH-HXUWFJFHSA-N 381.457 2.999 0 40 GFAB COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc3[nH]c(C)nc3c2)CC1=O 96232660 MTQZYOFHDNOMKK-INIZCTEOSA-N 392.459 2.910 0 40 GFAB Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccncc2)CCN3C)s1 96050127 XPYAAYZILIPYEG-UHFFFAOYSA-N 384.549 2.760 0 40 GFAB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc(Cl)c1 96519952 HBFSYNCOJRYZJA-IUCAKERBSA-N 395.045 2.746 0 40 GFAB COC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242463891 DPMFTWAZAPKRMJ-NUJGCVRESA-N 379.478 2.684 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 250674315 ONYCNNRYPLGFAB-BBRMVZONSA-N 378.856 2.555 0 40 GFAB CO[C@@H]1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCO2 257255203 KGNMRQCPCINESF-QAPCUYQASA-N 379.457 2.644 0 40 GFAB Cc1nc(C)c(S(=O)(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)s1 585081110 VPVRLHNDDHUWIQ-UHFFFAOYSA-N 387.477 2.939 0 40 GFAB COCCC(=O)N[C@@H]1[C@@H]2CCCN(c3nccc(C(F)(F)F)n3)[C@@H]2C1(C)C 585137564 GLTFPHUGRUZVRT-GLQYFDAESA-N 386.418 2.642 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)N3CCCC[C@@H]3Cn3nc(C)cc3C)n2)cc1 602527479 CHIDAOHZHYIUTN-LJQANCHMSA-N 393.495 2.543 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1-c1ccc(=O)[nH]n1 90613930 SPSMZHDSRIVWOA-UHFFFAOYSA-N 393.399 2.666 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1 96098819 YVPZGBLAGPZENY-UHFFFAOYSA-N 376.869 2.885 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@H](O)c1cn(C)c2ccccc12 96096541 XWWWEUYHIMRLID-KRWDZBQOSA-N 383.473 2.689 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1cn(C)c2ccccc12 96096505 KFFBPFUYUVIWHM-GOSISDBHSA-N 388.489 2.816 0 40 GFAB O=C1CCCN1c1cc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)ccn1 575609109 RVWYJHHYPTUMJA-UHFFFAOYSA-N 385.489 2.566 0 40 GFAB O=S(=O)(N[C@H]1CCC[C@@H]1Cc1ccccn1)c1ncccc1Br 585091992 ZZSISIIOKGXZJM-DOMZBBRYSA-N 396.310 2.929 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)/C=C/c1ccccc1 6053704 ZTWJEWKKXPKKNO-VAWYXSNFSA-N 386.835 2.994 0 40 GFAB Cn1c(=O)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2cccnc21 5303451 PXIPBOFHIJBCDU-UHFFFAOYSA-N 382.851 2.549 0 40 GFAB CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n2CC)CC1 12116399 XLTSBSUEIFNQBU-SFHVURJKSA-N 383.540 2.873 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3ccnc(OC)c3)cc2n1 12276473 RXRMETLMMNRMKK-INIZCTEOSA-N 381.436 2.768 0 40 GFAB COc1ccccc1[C@H]1C(C(=O)NCc2ccccc2)=C(C)Nc2ncnn21 13126965 XHMCLPKNFXIPJY-IBGZPJMESA-N 375.432 2.892 0 40 GFAB CC[C@@H](C(=O)NCCCOC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716599 JRFIAAUKVJKEMK-SFHVURJKSA-N 384.542 2.779 0 40 GFAB CC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 15771563 JJEFMTPNMUMEFI-UHFFFAOYSA-N 386.433 2.590 0 40 GFAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 19238657 OYEFYPUJKICBII-QGZVFWFLSA-N 398.532 2.772 0 40 GFAB COc1cccc(CN2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC 19239186 SLPMWGBHFGUDMX-HNNXBMFYSA-N 381.436 2.842 0 40 GFAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cn1 19525071 YTLHOTZVKIVRBB-CQSZACIVSA-N 393.494 2.930 0 40 GFAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 169348842 KTQVBORGKMMHAW-UHFFFAOYSA-N 385.470 2.614 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)NC1CCCCC1 4940112 XOJLLWNWOZSYOX-UHFFFAOYSA-N 387.505 2.914 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238890074 QMSYRFBKPBICCD-ZCFIWIBFSA-N 387.792 2.982 0 40 GFAB Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1S(=O)(=O)N1CCCC1 12365981 BIVUDUQEXCLGCZ-GFCCVEGCSA-N 380.436 2.697 0 40 GFAB COc1cc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc(OC)c1 19595102 RTMZKXHZTIXCEB-MRXNPFEDSA-N 390.505 2.882 0 40 GFAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)c1C 581602592 GVKRNLISVKYBLE-LJQANCHMSA-N 390.480 2.633 0 40 GFAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Br)cc1 5459807 KAUHXBHKLFMDAQ-NSHDSACASA-N 388.225 2.831 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)c(C)o1 1888843490 CVLNTKDPKXFQQA-CHWSQXEVSA-N 380.370 2.914 0 40 GFAB COc1ccc(COC[C@@H](O)CN[C@@H](c2ccccc2F)c2nccn2C)cc1 28690320 UGVXQDACSMTKMU-UWJYYQICSA-N 399.466 2.825 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1 36090967 JLJREGUFYOCBIZ-SFHVURJKSA-N 395.912 2.880 0 40 GFAB COc1ccccc1NC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O 36556589 HUNVGBKDDVLBHU-JUXOCIIHSA-N 393.443 2.818 0 40 GFAB COc1ccccc1S(=O)(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 238924171 UMCXUMIOMNUZSP-SJORKVTESA-N 399.472 2.959 0 40 GFAB CCOc1ccc2nnc(CNC(=O)Cc3ccc(SC(C)C)cc3)n2n1 244933286 CKOPYHOXFJRWLH-UHFFFAOYSA-N 385.493 2.882 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037850116 YWYAINKLUBDUGH-OAQYLSRUSA-N 383.448 2.720 0 40 GFAB CCCCn1c(SCc2cccc(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 4698624 AWXQUDIYCBHMAU-UHFFFAOYSA-N 388.493 2.535 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)cc1 4852035 YNQUZKBPSQHMOU-ZDUSSCGKSA-N 377.400 2.832 0 40 GFAB CC(C)CCSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 7347523 NNIMPSVQFSQEBC-UHFFFAOYSA-N 376.507 2.894 0 40 GFAB Cn1nc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)ccc1=O 10324812 JLFWNUVRKJQTHY-UHFFFAOYSA-N 375.837 2.902 0 40 GFAB Cc1nc(C(=O)N2CCCC3(CCN(C)CC3)[C@@H]2CNC(=O)C(C)C)cs1 2055793312 NYSOTTGXPMMYNV-KRWDZBQOSA-N 392.569 2.540 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(c3nc(C4CC4)ns3)C2)n1 1775974033 AQDWCPWGDPSJAS-UHFFFAOYSA-N 381.461 2.709 0 40 GFAB COc1ccccc1OCC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 23105903 VQBGSOBVHNSALI-LJQANCHMSA-N 384.476 2.572 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@@H]3N=NN(c4ccc(C)c(C)c4)[C@H]3C2=O)c1 101260828 PSHHJFGMIIAYME-QZTJIDSGSA-N 380.404 2.818 0 40 GFAB Cc1cc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)no1 206680956 CEIUDLRHLJGWIC-UHFFFAOYSA-N 375.431 2.592 0 40 GFAB C[C@H](C(=O)NCc1cc(C2CC2)ncn1)n1nc(-c2cccs2)ccc1=O 585360367 HEIJVOCZEFSKLO-GFCCVEGCSA-N 381.461 2.517 0 40 GFAB O=C(c1ccc(O)nn1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826402 KCLTUASJPWMBDU-UHFFFAOYSA-N 378.436 2.526 0 40 GFAB CCn1ccc2ccn(CCNC(=O)c3cc(O)nc4ccccc34)c(=O)c21 575616375 JCIONRCQPPSJSJ-UHFFFAOYSA-N 376.416 2.507 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cnn(Cc2ccccc2)c1 29716528 BFTGDPFWLSBAGL-UHFFFAOYSA-N 390.487 2.694 0 40 GFAB CCn1nc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2c1=O 2662859 GFEMVAASJDTZLM-CQSZACIVSA-N 391.427 2.551 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)NCc1cccc(C(=O)N2CCCCC2)c1 32437269 PWHPYQSCINMFFZ-UHFFFAOYSA-N 393.553 2.912 0 40 GFAB CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 1572944 AJQYZRHQCXCROF-MOPGFXCFSA-N 398.459 2.750 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 32741898 GTBDHGBVIGCZRR-UHFFFAOYSA-N 397.456 2.617 0 40 GFAB C[C@@H]1CCCCN1C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 32863636 LZSXTKKEPFSZFF-GFCCVEGCSA-N 396.417 2.761 0 40 GFAB CCOC(=O)COc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc1 7508646 ZRHZOVHYLWTZLA-LCYFTJDESA-N 378.406 2.792 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 32988054 RCZXFSVXNVSPSG-UHFFFAOYSA-N 393.443 2.668 0 40 GFAB COc1ccc(-c2csc(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)n2)cc1OC 32914306 CGEZHHQKOLZDLS-WCQYABFASA-N 389.477 2.928 0 40 GFAB Cc1nnc(SCc2cc(=O)c3c(=O)n(-c4ccc(F)cc4)[nH]c3[nH]2)s1 8020878 DZCVSVVPDOACEK-UHFFFAOYSA-N 389.437 2.598 0 40 GFAB C[C@H](NC(=O)C1CCCC1)C(=O)NCc1cccnc1OCc1ccccc1 53515134 ZXOOBIBSPIEIKG-INIZCTEOSA-N 381.476 2.972 0 40 GFAB O=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 9596111 LEDSNCRNOZEZNR-UHFFFAOYSA-N 385.898 2.940 0 40 GFAB Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 9888966 ZBLROOIXCJSOHC-UHFFFAOYSA-N 378.519 2.767 0 40 GFAB COC1=C(Nc2ccncc2)/C(=C(\C)[N+](=O)[O-])c2ccccc2[C@H](C(=O)O)N1 103542527 HHMXIEOJMLXJHF-RBFDBLARSA-N 382.376 2.746 0 40 GFAB CCN(C(=O)[C@@H](C)Nc1ccc2c3c(cccc13)CC2)[C@@H]1CCS(=O)(=O)C1 12563364 OUSGVOISFHVLSQ-RHSMWYFYSA-N 386.517 2.774 0 40 GFAB CC1=C(C)C[C@H]2C(=O)N(NC(=O)COc3ccc(Cl)cc3C)C(=O)[C@H]2C1 102195280 OHDLKMZGQHHEHM-GASCZTMLSA-N 376.840 2.790 0 40 GFAB Cc1ccc(C)c(OC[C@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1C 106083239 KMDHOXWKNJMPRY-HXUWFJFHSA-N 384.524 2.742 0 40 GFAB CC(C)C(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 24843152 UZGYAYGXBDCNFO-UHFFFAOYSA-N 378.270 2.871 0 40 GFAB COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(C)cc1 52781338 ZVCMXWLPQICVEO-KRWDZBQOSA-N 375.446 2.513 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H](OC(C)=O)c2ccccc2)cc(C(=O)OC)c1 1465746 XOAAFAYBPVILRL-KRWDZBQOSA-N 385.372 2.503 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccccc1)N(C)C 25421848 GSJXBQILYNSHQO-SJORKVTESA-N 389.521 2.550 0 40 GFAB COc1ccccc1S(=O)(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 56059629 RSIYOCJOLIRBBW-QGZVFWFLSA-N 377.462 2.732 0 40 GFAB COc1ccc(S(=O)(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)cc1 101327811 XDVBXWJTHZFQST-ATVHPVEESA-N 375.446 2.630 0 40 GFAB CCc1ccc(-c2noc(CN3CCc4cc(S(N)(=O)=O)ccc43)n2)cc1 12562747 IATXRFRAJHOXMX-UHFFFAOYSA-N 384.461 2.509 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)o1 43998189 SDPHFENIIYEEIG-DLBZAZTESA-N 376.453 2.528 0 40 GFAB CCn1c(CN(C)Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 57439230 BEHWLEIMNDNKEP-UHFFFAOYSA-N 386.521 2.939 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2cc(OC)ccc2OC)cc1 3277571 NESDKXGTMAWCEH-IZZDOVSWSA-N 399.443 2.628 0 40 GFAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCc1ccc(F)cc1Cl 58238239 HRBDNZHNGHPADT-JTQLQIEISA-N 389.905 2.877 0 40 GFAB CC[C@H](C)n1c(SCC(=O)NC(=O)c2cccn2C)nc2ccccc2c1=O 3355601 GOECCRQYFHHARW-ZDUSSCGKSA-N 398.488 2.755 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccccc3I)C(=O)[C@@H]12 408756869 UVIBTAFZXULIMN-BHTHQVBYSA-N 395.196 2.514 0 40 GFAB COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 3395513 VALZDWALHBMQGW-UHFFFAOYSA-N 382.825 2.886 0 40 GFAB CCc1[nH]c(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c(C)c1C(=O)OC 29075373 XXKROHANWQQCLT-AWEZNQCLSA-N 381.436 2.692 0 40 GFAB COC(=O)c1cc(NC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c(F)cc1F 48278942 XWJIEUGOGJBEPM-UHFFFAOYSA-N 397.422 2.910 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)[C@H](C)Oc2ccccc21 48235031 PSUCGMGUBBCPAK-AWEZNQCLSA-N 382.416 2.578 0 40 GFAB CC(C)C[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 12819937 IBGNUCMQTZPIEI-LJQANCHMSA-N 376.522 2.865 0 40 GFAB Cc1nc(-c2ccccn2)sc1C(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 12851954 CWAGEIDANJUWIZ-UHFFFAOYSA-N 399.476 2.659 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1C 12920480 CKRDASPWKMYGSZ-PKOBYXMFSA-N 393.487 2.968 0 40 GFAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12978436 FEFHKDRVLGVNKV-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)NCc1cccs1 12911946 JCEMEXSILFDDKC-LBPRGKRZSA-N 389.506 2.838 0 40 GFAB COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)c(OC)c2)c(OC)c1 13182459 KKLAQJXGJKFKFJ-HNNXBMFYSA-N 389.404 2.667 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(CN2CCCC2)CC1 49074139 PGFNWMGDSOZUNF-FQEVSTJZSA-N 389.515 2.915 0 40 GFAB CSc1nc2nc(C)c(CC(=O)NCCOc3ccc(C)cc3)c(C)n2n1 13988436 OQGRIGRLVCUQQK-UHFFFAOYSA-N 385.493 2.509 0 40 GFAB O=C(NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1cccs1 14171315 YLRLYXTWEFTPJR-UHFFFAOYSA-N 393.512 2.976 0 40 GFAB Cc1nc2sc(C(=O)OCC(=O)Nc3cccc(F)c3)c(C)c2c(=O)[nH]1 6609172 XJMNDNQKXYKXJD-UHFFFAOYSA-N 375.381 2.536 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2O1 14784770 WNWYYCIDBUQASH-UHFFFAOYSA-N 375.446 2.821 0 40 GFAB CSCC[C@H](NC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2[nH]1 8746534 LGNFXYQTJCIBRY-AWEZNQCLSA-N 399.501 2.857 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1C 7055099 IRPUWDWLXZAFHI-UHFFFAOYSA-N 394.518 2.889 0 40 GFAB CCn1c(COC(=O)c2ccoc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 7674211 LPDXSJHESFLEDD-UHFFFAOYSA-N 391.449 2.565 0 40 GFAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(C(C)(C)C)c1=O 9044069 QPRYAMCRMIVUBO-KRWDZBQOSA-N 382.464 2.858 0 40 GFAB O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1cnn(-c2ccccc2)c1 69040941 JOAKYTGVNJCMQA-QGZVFWFLSA-N 382.489 2.677 0 40 GFAB COc1ccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c(OC)c1 9514855 KOLQGRBNEMKAKZ-UHFFFAOYSA-N 390.480 2.842 0 40 GFAB CCn1nnc2cc(C(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)ccc21 83840024 RFAYMCGHIFSVQC-ZDUSSCGKSA-N 385.418 2.986 0 40 GFAB Cc1cccc(N2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)c1 9656376 IRPDKVDWWZCUNU-UHFFFAOYSA-N 396.882 2.651 0 40 GFAB Nc1c(C(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)ccc(Cl)c1Cl 84581764 WJBDRPADKGMXDJ-NSHDSACASA-N 395.242 2.852 0 40 GFAB Cc1c(C(=O)N2CCC(O)(CN3CCOCC3)CC2)oc2ccc(Cl)cc12 95458544 BWEZQHQERRCCOB-UHFFFAOYSA-N 392.883 2.694 0 40 GFAB COc1ccccc1CCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O 22326805 ZKKIIDJONRLONG-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408702261 MIURSWJYJMMLHF-ZDUSSCGKSA-N 388.917 2.669 0 40 GFAB Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c(C)c1 20495565 QMDFWBAVAAKXNL-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB CCCN1C(=S)N[C@@H](c2ccc3c(c2)OCCO3)C(C(=O)OCC)=C1C 20985405 MMVTZABYGXGITD-KRWDZBQOSA-N 376.478 2.936 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1C 408617005 BZBONUOLRJKVDP-ZDUSSCGKSA-N 380.441 2.838 0 40 GFAB O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 306130210 IZGQVHIIAJSYKL-UHFFFAOYSA-N 385.537 2.708 0 40 GFAB COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1 36293790 XVRJYMMZMYYTEE-KRWDZBQOSA-N 379.434 2.875 0 40 GFAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1Cc2ccccc2O1 32375380 LLZHEWRTZJZIRK-QUCCMNQESA-N 386.879 2.833 0 40 GFAB COc1ccc(CC(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 219273385 UKONDFGNEYMUST-UHFFFAOYSA-N 383.404 2.621 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C 223371952 OAQOZMCIDROFJF-LJQANCHMSA-N 384.476 2.936 0 40 GFAB CN(c1ccc(C(=O)NCCSC(C)(C)C)c(Cl)c1)S(C)(=O)=O 222513708 ODFGKHHEGVHSSX-UHFFFAOYSA-N 378.947 2.997 0 40 GFAB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951456 GVECTYIMHMSZGU-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB Cc1ccc(C(=O)Nc2c(N3CCOCC3)[nH]c(-c3ccccc3)nc2=O)cc1 41154967 VKQXVOIZCUBEHC-UHFFFAOYSA-N 390.443 2.834 0 40 GFAB COCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O 40396084 WJPBJTQFCLGTFE-UHFFFAOYSA-N 399.838 2.552 0 40 GFAB Cn1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n(-c2ccccc2)c1=O 77100569 VZXPRBCYHNHGDL-LJQANCHMSA-N 390.487 2.910 0 40 GFAB CCN(CC(=O)N(C)c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 225932037 DZSKQFPBFLPPLU-UHFFFAOYSA-N 390.505 2.986 0 40 GFAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(Br)cc1F 42645843 DATZOEWRQDKBAF-UHFFFAOYSA-N 381.201 2.852 0 40 GFAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC)cc2)cc1 223279181 DAEKEZLPJFNINM-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC 225379568 WQFRAKVJSDXGMH-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB Cc1ccc(N2CCC3(CC2)NCCn2c(-c4ccc(F)cc4)cnc23)nn1 96145058 LHSYWCHQWUTQQO-UHFFFAOYSA-N 378.455 2.887 0 40 GFAB C[C@H]1CCCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)C1 248006125 CFECCYGMHUMAFX-YWZLYKJASA-N 393.491 2.630 0 40 GFAB O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257229460 FYFDJKLRXGJKRU-GJZGRUSLSA-N 393.369 2.616 0 40 GFAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257247262 IYEOVXHQCHDUBG-IBGZPJMESA-N 392.450 2.651 0 40 GFAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2NC1=O 252508887 XWYDDIMTXQYWJM-KRWDZBQOSA-N 378.450 2.990 0 40 GFAB CC(C)(CNC(=O)N[C@H]1COC[C@H]1n1ccnn1)c1ccc2ccccc2c1 624029364 PEERICULDRUFJN-RBUKOAKNSA-N 379.464 2.648 0 40 GFAB O=C1NCCN(C(=O)CCc2nc(O)c3ccccc3n2)[C@@H]1CC1CCCCC1 643328542 UHGCVALUAXDXSG-GOSISDBHSA-N 396.491 2.565 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1 1137374412 HUEHXVZOCHZHEW-ZDUSSCGKSA-N 386.839 2.574 0 40 GFAB C[C@H](CCCc1cccnc1)NC(=O)N1CCc2nnc(N3CCCC3)cc2C1 665110544 BGRWXKRYUNEHEY-QGZVFWFLSA-N 394.523 2.951 0 40 GFAB CC[C@@H]1CN(Cc2cnn3c2CCC3)[C@H](CC)CN1Cc1cnn2c1CCC2 667713371 CXGCWZSQPAGLRS-WOJBJXKFSA-N 382.556 2.847 0 40 GFAB Cc1ccc(-c2noc(CCCN3CCN(CCO)C(C)(C)C3)n2)cc1F 682035830 DJESNXZERHILSA-UHFFFAOYSA-N 376.476 2.505 0 40 GFAB O=C(NCCn1ccc(-c2cccs2)n1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 96103852 CTDYGJBQDDOUNL-AWEZNQCLSA-N 398.463 2.920 0 40 GFAB CC(C)C(=O)N1CCCN(C(=O)NCc2ccccc2CN2CCCC2)CC1 69226484 KEXNUSJEICTYCB-UHFFFAOYSA-N 386.540 2.682 0 40 GFAB CN(C)C[C@H]1CSCCCN1C(=O)c1cc(-c2ccc(F)cc2)nn1C 90700158 UBHRVINJAFSKSK-INIZCTEOSA-N 376.501 2.736 0 40 GFAB COC(=O)[C@@H](Cc1cn(COCc2ccccc2)cn1)NC(=O)OC(C)(C)C 5379716 BLJLWDUWEJEOAE-QGZVFWFLSA-N 389.452 2.666 0 40 GFAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)N3CCCCC3)C2)on1 12118463 UEGCMQNLXLEMCX-QGZVFWFLSA-N 383.496 2.940 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)on1 12337691 WROSTVMSDNCYCG-OAHLLOKOSA-N 391.431 2.833 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 12365185 LHEIGZRRMPIKNW-CVEARBPZSA-N 379.464 2.845 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 12365186 LHEIGZRRMPIKNW-HOTGVXAUSA-N 379.464 2.845 0 40 GFAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(C)c12 13012509 RNWVTGGIIWKQLF-NSHDSACASA-N 381.523 2.523 0 40 GFAB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 13557081 DMCLCFCWODYPFH-AKHDSKFASA-N 396.393 2.800 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2c(F)cccc2F)Oc2ccccc21 13679142 XNLVHJJYVMNDML-OAHLLOKOSA-N 382.388 2.521 0 40 GFAB C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C(N)=O 14321952 AEDYLNLXCWUTAR-OAHLLOKOSA-N 399.454 2.750 0 40 GFAB COc1cc(C(=O)N2CCC[C@H](c3nc(C)cc(O)n3)C2)cc(OC)c1OC 19117762 OKQSYZTWYFZEIE-ZDUSSCGKSA-N 387.436 2.536 0 40 GFAB COc1ncc(CN2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)cn1 19446710 IPCAKGOHVHMTOT-NRFANRHFSA-N 397.523 2.996 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19687643 ILCJDPZUQVIARS-FQEVSTJZSA-N 376.416 2.518 0 40 GFAB Cc1ccc2c(NC(=O)c3cc(N4CCOCC4)nc4ccccc34)n[nH]c2n1 19718079 AURDRJYLZARBTO-UHFFFAOYSA-N 388.431 2.903 0 40 GFAB COC[C@H](C)NC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226617 QUNVUSMRSSXXIU-YOEHRIQHSA-N 378.444 2.657 0 40 GFAB CN1Cc2c(NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)cccc2C1=O 574256823 NEOHFYCTUHSGSW-QGZVFWFLSA-N 391.471 2.692 0 40 GFAB Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@H]3CCOc4cccc(C)c43)c2n1 34893073 YBHKBMJREUZHOV-KRWDZBQOSA-N 394.475 2.951 0 40 GFAB in-vitro Cc1ccc(C)c(N2CCN(C(=O)c3cc(C4CCOCC4)ncn3)CC2)c1 1888856511 HMRASGWBYXJJKH-UHFFFAOYSA-N 380.492 2.950 0 40 GFAB COc1cnc(OC2CCN(C(=O)c3ccc(Br)o3)CC2)nc1 1889148829 DRNLCIOOTQHESI-UHFFFAOYSA-N 382.214 2.524 0 40 GFAB CC1(C)Cc2cccc(OCCNC(=O)c3ccc(S(C)(=O)=O)cc3)c2O1 24449598 ARWDPBKZCSXMPN-UHFFFAOYSA-N 389.473 2.612 0 40 GFAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)c3cccc(Cl)n3)C2)CC1=O 1614936790 DIMNNXOCICKHJC-IBGZPJMESA-N 388.855 2.605 0 40 GFAB COc1cccc(NC(=O)CC[C@@H]2N=C3c4ccccc4NC(=S)N3C2=O)c1 2966876 VODNSXHYIMINSL-INIZCTEOSA-N 394.456 2.782 0 40 GFAB Cc1cc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)no1 4304468 WGBSLSCMWRUMLV-UHFFFAOYSA-N 381.388 2.516 0 40 GFAB COc1ccc(CCNc2nc(=O)c(Cc3ccc(F)cc3)n[nH]2)cc1OC 11419608 ZOVCKGVVFUZXBI-UHFFFAOYSA-N 384.411 2.567 0 40 GFAB Cc1ccccc1C(=O)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665739 IQZVTVUOQXHGDY-UHFFFAOYSA-N 379.807 2.928 0 40 GFAB COC(=O)Cn1/c(=N\C(=O)Cc2cccs2)sc2cc(F)cc(F)c21 13310614 RKXDTYZWXYLHJO-KNTRCKAVSA-N 382.413 2.886 0 40 GFAB O=C(c1ccncc1F)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974868 UWQQPKJHJRGNQT-UHFFFAOYSA-N 384.798 2.795 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 101260671 AKVYBWSAHWGHLN-JKSUJKDBSA-N 386.795 2.855 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1 40097250 SSEBJXNXDGPUNS-UHFFFAOYSA-N 381.885 2.955 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c(OC)c1 21576039 SZJOZTWJVFKOHW-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 4970804 PCCZFZWOVCPPDH-MRXNPFEDSA-N 382.416 2.909 0 40 GFAB COc1ccc(/C=C2\CC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1OC 71283059 QGIXFIVZYGLLNF-MDWZMJQESA-N 397.383 2.788 0 40 GFAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 8210421 BJQLMTQVSDUHAJ-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(O)cc2)CC1 32980250 UPBKCNCCBJTGPZ-YCRREMRBSA-N 380.444 2.916 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 10977842 HVSITNXONLXTOR-INIZCTEOSA-N 390.505 2.892 0 40 GFAB CNC(=O)C1CCN(CC(=O)N(CCc2ccccc2)Cc2cccs2)CC1 12334100 HOQKTCPTUUCVPG-UHFFFAOYSA-N 399.560 2.777 0 40 GFAB Cc1ccc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)C[C@H]2C)cc1 2922866 RHTXPIGOIWGDCM-QGZVFWFLSA-N 390.487 2.522 0 40 GFAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 798722 VHTPTMGQVJJKCL-INIZCTEOSA-N 388.489 2.727 0 40 GFAB O=C(NCCc1ccccn1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 23175211 CHLZVQOBNLGUPM-UHFFFAOYSA-N 399.447 2.994 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 23236401 XQXQXVMJTZAOHX-HNNXBMFYSA-N 385.493 2.554 0 40 GFAB COc1ccc(CCNC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)cc1 24563075 RZXAQKMRQDWVFS-UHFFFAOYSA-N 393.491 2.806 0 40 GFAB COc1ccc2c(c1)[C@](O)(CC(=O)c1cccc(Br)c1)C(=O)N2 1320670 CEBBZDUWSQNPTN-QGZVFWFLSA-N 376.206 2.870 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccc(Cl)c1 3256331 JUTXGENKYJPRSD-ZDUSSCGKSA-N 386.835 2.591 0 40 GFAB O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC(Cc2ccccc2)CC1 25377386 RUDJCHMHVIFSKR-UHFFFAOYSA-N 391.471 2.833 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1=Cc2ccccc2OC1 25637133 IPKDSUGDCNWDQM-FQEVSTJZSA-N 382.435 2.791 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)Nc1ccc2c(c1)OC(F)(F)O2 43851351 CEDNUZZWLVYSTG-UHFFFAOYSA-N 392.362 2.561 0 40 GFAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)NC3CCCC3)cnc21 57428327 RJRZWCKMQVXCCR-UHFFFAOYSA-N 385.855 2.603 0 40 GFAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 44720676 XYLFAOBNIVKHBW-JTQLQIEISA-N 386.832 2.607 0 40 GFAB O=C(Nc1cccc2[nH]ccc12)C(=O)NC1CCN(Cc2ccccc2)CC1 44889934 WNDYWIOLMLYIPG-UHFFFAOYSA-N 376.460 2.887 0 40 GFAB COc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc3nccnc3c2)C1 11027338 IJBPFPYTICJCBU-GOSISDBHSA-N 382.445 2.749 0 40 GFAB O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCC2 3355340 BCFNPGLSXYIFMV-UHFFFAOYSA-N 387.457 2.521 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3)ccc2N1 8231948 GHJQYYHWEPTLPL-UHFFFAOYSA-N 399.516 2.646 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nc1 48355252 BKSXPTFZNSSHTH-MRXNPFEDSA-N 396.447 2.679 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)cc1F 3594929 HQUFNMNDZORXJV-IBGZPJMESA-N 387.798 2.811 0 40 GFAB CC(C)c1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccccc3)CC2=O)c1 13022411 SUDSUZJPXBSQLW-LJQANCHMSA-N 393.487 2.709 0 40 GFAB O=C(NCCOc1ccccc1F)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13235146 UXPBYEPGTNJHSI-QGZVFWFLSA-N 385.395 2.681 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957956 IDHJBSJYXFTLTG-NSHDSACASA-N 384.404 2.767 0 40 GFAB COc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc(OC)c1OC 13690003 IWXFNMUHGYHLKV-AWEZNQCLSA-N 396.447 2.775 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)c1C 6171045 OJKUKYCZJQQJMH-LBPRGKRZSA-N 399.476 2.972 0 40 GFAB COC(=O)C[C@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 14015832 IQXZYNGDGABLOL-KRWDZBQOSA-N 387.432 2.676 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1ccc(F)cc1 6560719 QXZRFYLOAUGUSI-UHFFFAOYSA-N 393.846 2.674 0 40 GFAB O=C(NCc1ccco1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4679663 YUBIEYTUZUVOJI-QGZVFWFLSA-N 388.782 2.974 0 40 GFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 6649047 RTSDTJSPBFJMEJ-NRFANRHFSA-N 399.397 2.711 0 40 GFAB COCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 4815443 UFADSKZYJZNZMV-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB COc1ccc([C@H](C)NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1F 7077194 REQRLGSQQCBVQX-ZDUSSCGKSA-N 391.443 2.656 0 40 GFAB COc1ccc(CN(C)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 7682667 NKAUQZZDHHSWGQ-UHFFFAOYSA-N 384.476 2.729 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N(CC)CC)cc1 9238997 TWUJLCJLIUUOQZ-HOTGVXAUSA-N 375.498 2.613 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1OCC 408698119 NUIYQAXDVVKYKX-UHFFFAOYSA-N 384.404 2.914 0 40 GFAB CC[C@@](C)(CO)NC(=O)Nc1ccc(C)c(NC(=O)N[C@](C)(CC)CO)c1 72289103 MLXNADXKIGOFHN-RBUKOAKNSA-N 380.489 2.560 0 40 GFAB NC(=O)c1c(NC(=O)C2CCN(C(=O)C3CC3)CC2)sc2c1CCCCC2 69161353 LSAKPPNCILFTJU-UHFFFAOYSA-N 389.521 2.703 0 40 GFAB CCc1ccc(CNC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)s1 72302780 PEUMGWQWZMSOLD-CYBMUJFWSA-N 395.550 2.920 0 40 GFAB Cc1ccc(C)c(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)N(C)C)c1 20244564 QPHOUNVEYSJJIV-UHFFFAOYSA-N 389.521 2.575 0 40 GFAB CC(C)C[C@H](CN(C)C(=O)c1ccnc(F)c1)NC(=O)c1ccnc(F)c1 95444980 FVSBEPYQGQKVDW-OAHLLOKOSA-N 376.407 2.672 0 40 GFAB CCC(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 78413826 BEZMYLMYQVZWJI-KRWDZBQOSA-N 382.526 2.637 0 40 GFAB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 113892801 CGZMUJXCMJFFRF-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2cccnc2)ccc1OCC 408586335 NNJGTKMYZTUOOZ-UHFFFAOYSA-N 379.438 2.527 0 40 GFAB COc1ccn2c(C(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cnc2c1 516456929 VLLAHQRLCVVDPY-QYZOEREBSA-N 377.444 2.988 0 40 GFAB COc1ccccc1CNC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 31817186 PFBCYWOWKYRGBS-UHFFFAOYSA-N 395.459 2.575 0 40 GFAB NC(=O)C1CCN(C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1 35596750 UDAQVVAGCGOOQH-UHFFFAOYSA-N 396.419 2.826 0 40 GFAB Cc1oc(-c2ccsc2)nc1CC(=O)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1 564713210 NNGXIKVUMKQDTH-SJORKVTESA-N 395.484 2.982 0 40 GFAB COCCOc1ccc(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)cc1 72390792 FDLJERDYJHYAPI-FQEVSTJZSA-N 396.491 2.515 0 40 GFAB COc1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)c(OC)c1 225215969 QGKOBJFWAMLDJA-UHFFFAOYSA-N 381.567 2.914 0 40 GFAB Cc1ccccc1[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 569934769 NNISCNKEMAREQB-UZLBHIALSA-N 382.460 2.771 0 40 GFAB COc1ccc(NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 225977587 BROAJWFTKAXERQ-UHFFFAOYSA-N 382.869 2.926 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCCc2cccc(OC(C)C)c2)c1 225412727 OCDPMFDHEMCIFI-UHFFFAOYSA-N 390.505 2.745 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)nn1C1CCCCC1 578609335 DMIOHLNIAAMVCF-WBVHZDCISA-N 386.500 3.472 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)nc2O)CC1 257308324 TWHVTKKJYRTGGP-ZWOKBUDYSA-N 396.491 2.904 0 40 GFAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(C[C@H](C)c2ccccc2)CC3)C[C@@H](C)O1 257224044 FABMBFBEXQWRLX-GVDBMIGSSA-N 382.508 2.958 0 40 GFAB COC(=O)Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 609588082 LSXYCOLKHJJUCD-UHFFFAOYSA-N 390.461 2.797 0 40 GFAB CCO[C@H](CS(=O)(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21)C1CC1 624785317 DLDLLVJLDUQGRT-DFQSSKMNSA-N 378.538 2.748 0 40 GFAB Cc1ccc2[nH]c3c(c2c1)CN(C[C@@H](O)COc1ccc(C(=O)O)cc1)CC3 656765900 MJKAVKXEPBFESV-MRXNPFEDSA-N 380.444 2.973 0 40 GFAB CCC(CC)(CNC(=O)NCc1nc(O)cc(CN)n1)c1ccc(Cl)cc1 659448477 RXGJIDQMPQCIKY-UHFFFAOYSA-N 391.903 2.852 0 40 GFAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)c1C 677571574 OADQLCIZHXDFBJ-SFHVURJKSA-N 387.501 2.791 0 40 GFAB COc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)c(Br)c1 68109616 IUHSCDRUTPFVTL-CQSZACIVSA-N 399.310 2.594 0 40 GFAB COC(=O)[C@H](C)Sc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 5107556 YGIKVAGWVQZYEJ-QMMMGPOBSA-N 389.355 2.672 0 40 GFAB O=C(N[C@@H]1CCCOC1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226230 XUXJVGZUHJLCAQ-QZTJIDSGSA-N 390.455 2.801 0 40 GFAB Cc1noc(C)c1CC(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cnccn3)ncc21 12259053 GDQOWRLDMIBDOG-MRXNPFEDSA-N 392.463 2.911 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)c1 12897780 VNTQJEMGRKZWPI-UHFFFAOYSA-N 378.519 2.820 0 40 GFAB C[C@H]1C(=O)[C@@]23[C@H]4[C@H](O)C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H](O)[C@@]41C 13407125 MDODVBXGWQIKBY-UDXCBUBYSA-N 392.536 2.916 0 40 GFAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 15197885 DSTJECZHFCHHQB-CQSZACIVSA-N 391.489 2.917 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(OC)c(OC)c1 15607143 FOLFQGWJYQVWAB-HNNXBMFYSA-N 377.824 2.871 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(OC)cc1 16020343 UKXUAQJQENTZMU-GQWLDOHISA-N 395.503 2.879 0 40 GFAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N(C)C 16576365 QRHZRJOYRFBCGI-OAHLLOKOSA-N 390.505 2.697 0 40 GFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1CC(=O)N(C)C 19581211 LRFIRYODCSHPMC-KBXCAEBGSA-N 391.475 2.555 0 40 GFAB COCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19592764 WDYPIMCZSCTVSL-QFIPXVFZSA-N 384.451 2.776 0 40 GFAB CCOc1ccc(CN2CC[C@@H]3NC(=O)CCCC[C@H]32)cc1Cn1cccn1 19713214 FDKKFGRUMSVORN-VQTJNVASSA-N 382.508 2.963 0 40 GFAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 6386042 JYBZZBMGDFAHKZ-IZZDOVSWSA-N 386.223 2.754 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cnn(C)c4C)C3)cc2n1 12258047 BXXWYKNPUXEJNP-GFCCVEGCSA-N 392.385 2.728 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N1CCc2ccccc21 15351420 UARUDIDJOYGNDM-MRXNPFEDSA-N 381.476 2.933 0 40 GFAB CN(C)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nn1 1889125051 NQGQVRPZRGBPOU-UHFFFAOYSA-N 386.809 2.936 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc2c(c1)OCCO2 22296755 CNQBLAVEILOBJK-NRFANRHFSA-N 397.475 2.817 0 40 GFAB COc1ccc(OC)c(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 26330701 GZFQFXMDAJCBFN-SFHVURJKSA-N 382.460 2.677 0 40 GFAB O=C1C[C@@]2(COCCN(c3ncnc4ccccc34)C2)CN1Cc1ccccc1 1614945555 DETIJHIQGHAFQX-QHCPKHFHSA-N 388.471 2.885 0 40 GFAB O=C([C@@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCC(F)(F)CC1 2087128254 RMXJMAWMLHHZCK-LBPRGKRZSA-N 379.329 2.563 0 40 GFAB CC(C)CCNC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S)nc2c1 2970818 VWFLOGYEFUBSPP-AWEZNQCLSA-N 375.494 2.640 0 40 GFAB CNC(=O)[C@@]12CCC3(CCN(Cc4ccc(F)c(F)c4)CC3)[C@@H]1CN(C)C2 2055796070 RXEBCDRALHIYBG-GHTZIAJQSA-N 377.479 2.635 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NCc3cc(-c4ccco4)on3)CC2=O)c1 35589935 MKWAZQIBRPILRK-CYBMUJFWSA-N 381.388 2.613 0 40 GFAB COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc5c(c4)OCO5)no3)n2)c1 49006374 VDUZTPZBXNIBCN-UHFFFAOYSA-N 390.355 2.687 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(CC2CCCCC2)CC1 40158306 XLFUTUNMGQLDON-QFIPXVFZSA-N 385.552 2.501 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 40153992 JGYYSRZJEVGLMV-ZDUSSCGKSA-N 378.388 2.684 0 40 GFAB COc1ccc2nc(C)c(C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)cc2c1 30720210 TUGGDPVAOOBXMR-VNHYZAJKSA-N 386.448 2.733 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 30846697 LYEIQHXATYUJLP-QGZVFWFLSA-N 376.497 2.808 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1OC 100836183 OXRDEAYKXQORJN-WBVHZDCISA-N 386.791 2.650 0 40 GFAB O=C1NC(=O)c2ccccc2/C1=C\Nc1ccc(CC(=O)N2CCCC2)cc1 32080420 NRPAHFBJMYMDDB-XMHGGMMESA-N 375.428 2.575 0 40 GFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c(C)c(C(C)=O)c1C 36892411 DDJYQQVJBROBIQ-QGZVFWFLSA-N 381.432 2.830 0 40 GFAB C[C@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Br)c1 59849641 YRIDDSPZZGVKOS-NSHDSACASA-N 380.242 2.719 0 40 GFAB COc1cccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(C)=O)c2=O)c1 46079138 IWODFPFMULJECY-UHFFFAOYSA-N 392.415 2.516 0 40 GFAB CS(=O)(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 2686367 BFDPFFSNOQGXFM-MRXNPFEDSA-N 395.278 2.752 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C(C)=O)c1)c1ccc(OC)cc1 1068921 LAUWBDTVCBYWJR-UHFFFAOYSA-N 390.461 2.693 0 40 GFAB CC(C)CC(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914257 POJXGVWYNNVASE-LLVKDONJSA-N 378.288 2.604 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CC1=O 32730248 LEXRYNGFDKXHDK-VQIMIIECSA-N 399.466 2.606 0 40 GFAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)NC3CCCCC3)cc2c1 4133376 GRLCPQQKIHBIJG-UHFFFAOYSA-N 387.480 2.763 0 40 GFAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1C[C@H](C)O[C@H](C)C1 21555313 ZFCPPABPIOZQBF-PZYXKQFYSA-N 376.541 2.979 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1 32843528 CIWVVJNFWZIZIB-WOJBJXKFSA-N 384.501 2.952 0 40 GFAB CN(C)CC(C)(C)CNC[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 6906527 HTNPAIRIGRDVHR-FQEVSTJZSA-N 384.520 2.835 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 103099300 NJTIPEZDFSWMHQ-JLNYLFASSA-N 392.525 2.877 0 40 GFAB COCCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10363023 ZCQZVLHPAVYWCQ-UHFFFAOYSA-N 394.468 2.558 0 40 GFAB CC[C@@H](N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 33040122 RCOQHIZVXGVCFI-RDTXWAMCSA-N 375.494 2.710 0 40 GFAB CCCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccsc2c1=O 2909317 OTIZVAOARCFNEK-LBPRGKRZSA-N 381.523 2.645 0 40 GFAB Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1F 12488233 AQTUYLNIKVOLMS-CYBMUJFWSA-N 376.453 2.775 0 40 GFAB CC(=O)c1c(F)cccc1N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 12554208 KSIUYOLNWVSXJU-UHFFFAOYSA-N 380.423 2.587 0 40 GFAB CCOC(=O)Cn1cnc2c(C(=O)OCC)sc3nc(SC)nc1c32 1017398 DYJOBQYZOBPXLF-UHFFFAOYSA-N 380.451 2.503 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CN2CCC[C@H](C(F)(F)F)C2)n1 12516643 RXWCLHBDMVEYFJ-NSHDSACASA-N 382.390 2.980 0 40 GFAB Cc1csc(=O)n1CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 24869654 XOMOXFJKLXKKLK-MRXNPFEDSA-N 387.505 2.876 0 40 GFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 27028768 UILOZQDYZPVDSD-UHFFFAOYSA-N 377.853 2.873 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](C(F)(F)F)C1 24184333 VWHBQROREUTHAN-RYUDHWBXSA-N 378.416 2.932 0 40 GFAB Cc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 2129714 ZLVLCDILEFVYCR-LQBOVUBWSA-N 380.444 2.667 0 40 GFAB biogenic COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(C)(C)C 3375737 OUTJSRDWDKCJTM-UHFFFAOYSA-N 388.489 2.975 0 40 GFAB CCN(CC)c1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cn1 48235008 GWJWBGDWEWCZML-FQEVSTJZSA-N 397.523 2.950 0 40 GFAB Fc1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 2431565 SJOIFJAVYLIPML-UHFFFAOYSA-N 381.396 2.697 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2COc3ccccc3C2)c1 12747489 ZXNOFPHKHGLVAC-MRXNPFEDSA-N 388.489 2.907 0 40 GFAB COc1cc2c(cc1OC)CN(Cn1cc(Br)ccc1=O)CC2 12862508 UQWKUMRYVADDAS-UHFFFAOYSA-N 379.254 2.644 0 40 GFAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2c(C)cc(C)cc2Cl)c1 12862755 CLBPJPRGPITHSQ-UHFFFAOYSA-N 389.839 2.659 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(C)cc2OC)c1 3421400 WVIFYVYNBKMHBO-UHFFFAOYSA-N 389.404 2.582 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 4082230 ZZUQVRYNXNEOCB-BCTVWOGZSA-N 381.812 2.618 0 40 GFAB biogenic COC(=O)c1cc(Br)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 8746198 WDEQEFKZFFXDOM-WDEREUQCSA-N 382.210 2.841 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 5002188 QJFXCRVCNHWOML-UHFFFAOYSA-N 396.852 2.782 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)c2ccco2)cc1 39516992 LFOAFONTZLMXAB-CQSZACIVSA-N 392.477 2.760 0 40 GFAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCc2ccccc2)C3)cc1 8755455 OQSRWYPYSAYAQI-HXUWFJFHSA-N 377.444 2.778 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)n2nnc3ccccc3c2=O)cc1 5243337 YUDQRRAJCJJXKV-SFHVURJKSA-N 379.420 2.586 0 40 GFAB NC(=O)C1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 6315829 UWHWCNCVKCMSSQ-UHFFFAOYSA-N 376.460 2.682 0 40 GFAB CC(C)=C[C@@H]1[C@H](C(=O)NCCS(=O)(=O)N2CCc3ccccc32)C1(C)C 65496069 KLHZQSKZVUIREO-SJLPKXTDSA-N 376.522 2.734 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCc3ccccc3C2)cc1OC 6407224 MMEJKGRRKSNMBF-CSKARUKUSA-N 381.428 2.845 0 40 GFAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505280 DUXRDIJSNFYQRA-QGZVFWFLSA-N 381.519 2.818 0 40 GFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 89919962 MMZZAWJPDYPWKS-ZUOKHONESA-N 380.400 2.897 0 40 GFAB C[C@@H](C(=O)OCc1ccc(-n2cccn2)cc1)N1C(=O)c2ccccc2C1=O 14674954 AAVLATVQVJWDHD-AWEZNQCLSA-N 375.384 2.600 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1 4753903 OJPZISJWDCTKFN-QGZVFWFLSA-N 395.312 2.771 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NCCC(=O)O)CC2 6760504 FZIOSXBODCLKPF-FQEVSTJZSA-N 384.432 2.836 0 40 GFAB biogenic CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1 20024233 FIBYFHJORXXGIH-UHFFFAOYSA-N 378.469 2.763 0 40 GFAB FC(F)(F)Oc1ccccc1Cc1nnc2sc(Cn3cccn3)nn12 71285251 PIZXZRZFXFBDTH-UHFFFAOYSA-N 380.355 2.920 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)NC(=O)c1cccs1 7797712 OLKWDBUWEFLTQZ-UHFFFAOYSA-N 385.474 2.785 0 40 GFAB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)NCCC1=CCCCC1 7807020 SLXHFCRVDZUCOB-CABCVRRESA-N 398.459 2.610 0 40 GFAB CCCN1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 20763714 KWTGBZOJJCZFNJ-UHFFFAOYSA-N 379.917 2.771 0 40 GFAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)C1 84445798 MLYPKMKIOXLVAN-KRWDZBQOSA-N 378.476 2.827 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O)c1ccc2c(c1)OCO2 95430259 JZFNYZPXQCRIRK-HXUWFJFHSA-N 398.802 2.645 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1 95427680 QVIARYLLKPLANJ-CYBMUJFWSA-N 390.461 2.643 0 40 GFAB Cc1csc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)n1 79485689 TZOFCGQORNHQTL-UHFFFAOYSA-N 384.461 2.905 0 40 GFAB COc1ccc(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)[C@H](CO)C(C)C)cc1 95997304 AHFDWIKWTUJWMI-CRAIPNDOSA-N 394.512 2.954 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 27232906 FTLOEEDJVKQLDI-QGZVFWFLSA-N 379.460 2.812 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc4c(C(N)=O)c[nH]c4c3)CC2=O)cc1 89632300 OIDHTXHVKRWICZ-HNNXBMFYSA-N 390.443 2.562 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 306142731 XHUIVXXHSDCQIH-GOSISDBHSA-N 399.458 2.910 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306134745 NXBRFGVAZMRDIU-DLBZAZTESA-N 391.450 2.974 0 40 GFAB Cc1c(C(=O)N2CCN(C(=O)NCc3cncn3C)CC2)sc2ccccc12 516826172 YEGCMMTYQDPPFR-UHFFFAOYSA-N 397.504 2.611 0 40 GFAB CCN1CCN(C(=O)COC)[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351462 ZFKWUJROYJJVDD-NRFANRHFSA-N 396.487 2.610 0 40 GFAB CCOc1ccccc1NC(=O)COc1c(OC)cc(C(=O)O)cc1OC 217733341 GCKFDBBDXMFUNB-UHFFFAOYSA-N 375.377 2.818 0 40 GFAB Cc1ccc2nc(C)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2c1 71468787 HYNRCRAJQUSAGF-UHFFFAOYSA-N 392.459 2.638 0 40 GFAB Cc1ccc(C(=O)NCCOc2ccccc2)cc1S(=O)(=O)N1CCCC1 224022347 ZVHKEXQTIHTMQL-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 222691804 XRLYHPVTLUZDDM-CYBMUJFWSA-N 390.461 2.710 0 40 GFAB O=C1C[C@@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccccc1 44918849 PLWATTZYZITOSY-KRWDZBQOSA-N 386.205 2.671 0 40 GFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225084023 YPVOPPDTDMVNIC-HNNXBMFYSA-N 386.473 2.640 0 40 GFAB COc1cccc(-c2c3c(=O)n(C[C@@H]4CCCO4)ccc3nc3nc(C)nn23)c1 40398508 RWLPIGYBUTULCX-INIZCTEOSA-N 391.431 2.602 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2)NS(C)(=O)=O)cc1 225955641 OXEMEKPWCVPQNP-MRXNPFEDSA-N 382.869 2.968 0 40 GFAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1C(=O)N1CCCC1 224029664 HJMRMMGUXKPGES-UHFFFAOYSA-N 378.494 2.710 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCOC)c1ccccc1 223545262 HKEDWXMXIDFGQS-OAQYLSRUSA-N 384.476 2.938 0 40 GFAB CN1CCN(CCCCNC(=O)c2cc(Br)ccc2Cl)CC1 41362360 GBOJYBYCYPROGU-UHFFFAOYSA-N 388.737 2.860 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl 224191502 DUNHDTFZSQDCFU-UHFFFAOYSA-N 396.896 2.708 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 224024495 XJMDOEOMCITNSY-UHFFFAOYSA-N 394.518 2.897 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 224005539 KPBOSPLGVZLTQI-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB CN(c1cccc(NC(=S)NCCSC(C)(C)C)c1)S(C)(=O)=O 225351140 ZEJXFTRHJVXXIM-UHFFFAOYSA-N 375.585 2.901 0 40 GFAB O=C(CCc1c[nH]c2ccccc12)NCCn1cnc2ccc(F)cc2c1=O 95478314 UHGHNNFNHRMXQK-UHFFFAOYSA-N 378.407 2.766 0 40 GFAB COc1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OC 243135904 JKXOSKQPDSIGMH-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB Cc1noc(C)c1-c1cnc(CC[C@H]2CCCN2C(=O)CCn2ccnc2)cn1 257318034 VMFHJDGIDSICDW-GOSISDBHSA-N 394.479 2.959 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3cncc(-c4cnc(C)n4C)n3)C2)cn1 257267641 MIFNACMMMLKXIT-KRWDZBQOSA-N 390.491 2.984 0 40 GFAB Cc1nc(C[C@H]2CCCN(C(=O)c3ccccc3F)C2)cc(C(=O)N(C)C)n1 257254209 KCESRAIVXIHNGK-OAHLLOKOSA-N 384.455 2.721 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC1CCCC1 257272104 NBBVHJMSSHTDAR-KRWDZBQOSA-N 384.524 2.811 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260793114 KAWGDVIHFSPHQY-INIZCTEOSA-N 390.505 2.690 0 40 GFAB CC(C)(C)n1nnc(C(=O)Nc2nccc3cc(Br)ccc23)n1 622059921 JFRANLXQLHLQBI-UHFFFAOYSA-N 375.230 2.991 0 40 GFAB Cn1cc(N2CCC[C@@H](NC(=O)N3CCc4ccccc4C(C)(C)C3)C2)cn1 664217506 LCKJUJWDBGPRSH-GOSISDBHSA-N 381.524 2.934 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N[C@H]2COc3ccc(F)cc3C2)cn1 664917161 UNMXQXDUNBLFDK-LMMKCTJWSA-N 388.443 2.736 0 40 GFAB O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 90614019 JOHVJTAEZRIOTM-CYBMUJFWSA-N 392.390 2.568 0 40 GFAB O[C@@H]1[C@@H](N2CCN(c3ncccn3)CC2)CCC[C@H]1Oc1cccc(Cl)c1 585290566 YGTRPKLCTQBBPP-IPMKNSEASA-N 388.899 2.613 0 40 GFAB C[C@H]1CCCN(C(=O)c2nc3c(o2)CCN(C(=O)c2ccc(N(C)C)cc2)C3)C1 585112572 RKEUEIPTNAYBJV-HNNXBMFYSA-N 396.491 2.811 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 5240516 TXCVUBIOJJOTQY-CYBMUJFWSA-N 390.823 2.772 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccccc4Cl)nc(C)n32)o1 12115511 DYXKQMVWETWVCA-UHFFFAOYSA-N 398.850 2.871 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12119460 MMCIRUXFCCRAQJ-GOSISDBHSA-N 395.507 2.737 0 40 GFAB Cc1cc2c(=O)n(CC(=O)N3CCC(O)(c4ccccc4C)CC3)cnc2s1 12290312 LSLQRNLRTOSLAA-UHFFFAOYSA-N 397.500 2.585 0 40 GFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1ccc(Cl)cc1 16093213 WDXPPKBKVNSKJH-UHFFFAOYSA-N 382.869 2.828 0 40 GFAB COc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC(C)C 18023546 YGWPIFPIZWLVJL-UHFFFAOYSA-N 389.452 2.628 0 40 GFAB Cc1cc(-c2cnc(N3CCC(NC(=O)[C@H]4CCCO4)CC3)nc2C2CC2)on1 19121714 YLXRKICTMDVRHS-QGZVFWFLSA-N 397.479 2.581 0 40 GFAB COCCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19593132 VBIVFQNZSCUQGK-LLVKDONJSA-N 383.370 2.684 0 40 GFAB CN(C)C(=O)c1ccc(C2CCN(Cc3ccnc(N4CCCC4)n3)CC2)nc1 19705862 OXELNGDEMQKOQX-UHFFFAOYSA-N 394.523 2.553 0 40 GFAB COc1cnc(OC2CCN(C(=O)c3cc4cccc(OC)c4o3)CC2)nc1 1889232836 BGMIWBCHXNCEQY-UHFFFAOYSA-N 383.404 2.924 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839693 ANTIQXZXZKTYTN-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 1565556563 NPONOBPLIANMJZ-UHFFFAOYSA-N 395.438 2.968 0 40 GFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 3982470 SHIBSTMRCDJXLN-SXDIVCDASA-N 390.520 2.575 0 40 GFAB biogenic CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 4249346 OQRRLHNCBQUXPI-HNNXBMFYSA-N 387.528 2.876 0 40 GFAB COc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1OC 4497038 QMKMADARKHWMKP-KRWDZBQOSA-N 382.460 2.785 0 40 GFAB COc1ccc(CCNC(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9039992 QSHHUOZXOJUWJA-MRXNPFEDSA-N 385.439 2.729 0 40 GFAB CCC(=O)N[C@](Nc1nc2ccc(C)cc2s1)(C(=O)OC)C(F)(F)F 9111253 CKCFPCZAXNOESO-AWEZNQCLSA-N 375.372 2.974 0 40 GFAB COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc(OC)c1OC 10329530 VHCNIZCUKWPYKK-MRXNPFEDSA-N 376.428 2.884 0 40 GFAB O=C(Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1ccccc1F 11666396 ONDZQWUWXDRZCP-UHFFFAOYSA-N 397.797 2.989 0 40 GFAB O=C(NC1CCCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23105350 AKMOKOLZLIYIGX-UHFFFAOYSA-N 391.515 2.979 0 40 GFAB COc1ccc(CCNC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575607258 AZUHWARPXBQSBJ-QGZVFWFLSA-N 390.871 2.934 0 40 GFAB CCOc1ccc(-n2cc(C(=O)O[C@H]3CCOC3=O)c3ccccc3c2=O)cc1 21360000 ANDAAGGSOIHJJD-IBGZPJMESA-N 393.395 2.862 0 40 GFAB COc1ccc(C[C@@](C)(O)CNC(=O)NCc2ccc(OC)c(OC)c2)cc1 77184910 VDOHAKWJXLAPHE-OAQYLSRUSA-N 388.464 2.505 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccccc2C)cc1 96105118 RFCXICUCPMHJAU-QGZVFWFLSA-N 378.450 2.839 0 40 GFAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@@H](CN1CCCC1=O)c1ccccc1 40120979 XHALBXSFXLSVPW-SFHVURJKSA-N 390.447 2.753 0 40 GFAB Cc1c(C(=O)NCCOc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3 29295227 JRFXBJRVJIIEGM-UHFFFAOYSA-N 387.436 2.661 0 40 GFAB Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)C(F)(F)F)c3nnnn3c12 1376776 DHRUWJXHFNNRLB-CQSZACIVSA-N 393.369 2.656 0 40 GFAB O=C(NCCC(=O)N1CCO[C@H]2CCCC[C@@H]21)NC12CC3CC(CC(C3)C1)C2 46483493 AQULPWBLPMNWQL-DDNHJUOSSA-N 389.540 2.815 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6274331 UVOMMVKOUXEDGV-ZDUSSCGKSA-N 388.917 2.808 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 8036999 IMHRZDSBIUPUGA-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@@H]3N2Cc2ccncc2)cc1 100221785 WUQMYQVPVUHAJM-PXNSSMCTSA-N 394.500 2.933 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccnc(OCc3ccccc3)c1)CS2 46851852 KYNZRGMNEBKCCM-DYESRHJHSA-N 397.500 2.731 0 40 GFAB COc1ccccc1N1C(=O)C[C@H](N2CCc3c([nH]c4ccccc34)C2)C1=O 102337995 YCUBEXORFBNLIE-IBGZPJMESA-N 375.428 2.867 0 40 GFAB COC(=O)c1ccc(/C=c2/sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 9189127 VCEXIQOUHULVFS-XNTDXEJSSA-N 397.843 2.806 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)c1 41626466 ZRGPQRPHKLLODO-MRXNPFEDSA-N 375.469 2.561 0 40 GFAB O=C(Cc1c(F)cccc1Cl)NC1CCN(C(=O)c2ccncc2)CC1 47286408 XTBJADIYEZLKGC-UHFFFAOYSA-N 375.831 2.838 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]4C2=O)no1 106022034 RDSAJCPALDIDSY-JNNRSPCRSA-N 385.807 2.562 0 40 GFAB Cc1ccc(C)c(N(C)S(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c1 53669636 LCGOIXNAYCMLKY-UHFFFAOYSA-N 377.418 2.598 0 40 GFAB O=C(C[C@@H]1Sc2cc(C(=O)O)ccc2NC1=O)Nc1ccc(C(=O)O)cc1 61720839 DXJBLAORYBQKOO-AWEZNQCLSA-N 386.385 2.525 0 40 GFAB O=C(CN1CCCc2ccccc21)NC(=O)Nc1ccc2c(c1)OCCCO2 12526850 MELJYJPOCKNPTG-UHFFFAOYSA-N 381.432 2.949 0 40 GFAB O=C(NCc1ccc2c(c1)OCCCO2)[C@@H](c1ccccc1)N1CCC(O)CC1 104895397 DVOZDIRGLXZHJX-JOCHJYFZSA-N 396.487 2.662 0 40 GFAB CCOc1cc2c(cc1OCC)CN(CN1C(=O)N[C@](C)(C3CC3)C1=O)CC2 23654224 LNCNDZKURBWHFU-OAQYLSRUSA-N 387.480 2.520 0 40 GFAB O=C(Nc1ccccc1)C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 104278514 LLUKCYRLKMDBNX-LJQANCHMSA-N 377.444 2.669 0 40 GFAB C[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 54531357 AFHKNTOQTOSUAN-HYMXPIOVSA-N 382.552 2.925 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)ccc1OC 20493464 GZUFXUOXBUATRR-UHFFFAOYSA-N 396.896 2.919 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 57818882 QZUCVCLYSMVLMC-CQSZACIVSA-N 385.489 2.507 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 105572485 LYAIMTZLIIWMKL-UGKGYDQZSA-N 381.520 2.949 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COc1cccc3c1CCC3=O)CC2 24836070 UADKNJFWWDPQAK-UHFFFAOYSA-N 381.428 2.796 0 40 GFAB COc1ccc(CN2CCn3c(CO)nnc3C2)cc1OCc1ccc(F)cc1 57822865 YPJHTFNGMAIVII-UHFFFAOYSA-N 398.438 2.513 0 40 GFAB CCc1ncc2c(n1)CN([C@@H](C)C(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 106375332 ZTZUJCDXUMAEAS-HNNXBMFYSA-N 393.491 2.551 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C2[C@@H]4CCCC[C@@H]24)C3)CC1 100748920 YHPQWKUBOZHWSY-QZTJIDSGSA-N 382.508 2.523 0 40 GFAB O=C(c1ccco1)N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 25228856 VSVZGQOYNHBOQO-GOSISDBHSA-N 380.444 2.631 0 40 GFAB C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 57174153 KCYVOYSWLKQCRR-HNNXBMFYSA-N 378.476 2.946 0 40 GFAB O=C(OCC(=O)N1CCCc2ccccc21)c1cncc(Br)c1 3301911 ZVVPSMNASCKFBK-UHFFFAOYSA-N 375.222 2.980 0 40 GFAB CCN(CC)[C@H](CNS(=O)(=O)N1CCCCCC1)c1cccc(OC)c1 23434463 IJQFNHBOBYCLOI-LJQANCHMSA-N 383.558 2.789 0 40 GFAB CNC(=O)CN1CCN(c2ncnc3scc(-c4ccc(C)cc4)c23)CC1 57681907 ZXASEBCOSBVTJH-UHFFFAOYSA-N 381.505 2.535 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 28209477 ZKWHXKWTEUIBKN-QGZVFWFLSA-N 386.473 2.930 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44776478 VTDATRRODHYHNY-MCIONIFRSA-N 376.503 2.649 0 40 GFAB CN(C)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 27587518 FUWBRGJWPIIYKN-VQIMIIECSA-N 383.517 2.779 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 20451472 QAOSAAXYTQLVKV-HXUWFJFHSA-N 398.459 2.964 0 40 GFAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449993 FQBJVCHDQYSPSQ-VQHVLOKHSA-N 398.868 2.985 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1 12741733 FSJFNUUSXQBXDP-UHFFFAOYSA-N 398.434 2.686 0 40 GFAB COc1cccnc1NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 58163210 WYBBGKNEXSXUNT-UHFFFAOYSA-N 394.357 2.735 0 40 GFAB Cc1ccccc1CC(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 12783306 CVZIJMONBMWTCV-CQSZACIVSA-N 375.446 2.724 0 40 GFAB CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 10312674 PGHXRNUGIAJQJR-UHFFFAOYSA-N 390.281 2.993 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1Cl 12735951 NRUNJFQUQLDLND-GFCCVEGCSA-N 399.882 2.908 0 40 GFAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 408733565 KEPNROCMMQHFKH-KNPMLCFXSA-N 387.741 2.554 0 40 GFAB CC(C)N1C[C@H](C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1=O 48368249 MXJZEMPDQUEYEB-QGZVFWFLSA-N 397.450 2.951 0 40 GFAB CCCn1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccc1=O 48312093 QNRSJVUXEKFILF-UHFFFAOYSA-N 389.246 2.961 0 40 GFAB CCOC(=O)/C(=C\c1cc(OC)cc(OC)c1)C1=Nn2c(C)nnc2SC1 8322298 NJYVOSNSGUOCHG-NVNXTCNLSA-N 388.449 2.560 0 40 GFAB CSc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12892204 GQHCNLQPTYWLAP-UHFFFAOYSA-N 393.486 2.982 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(O)c(C(=O)O)c1 5348766 FUONHCHWEQUHME-NVNXTCNLSA-N 398.396 2.765 0 40 GFAB Cc1ccc(/C=C/C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)s1 14181066 VNRSVFVZBURLIM-CSHXORCISA-N 398.484 2.723 0 40 GFAB O=C(CN1CCN(c2ncnc3cc(Cl)ccc23)CC1)NCc1ccccc1 14198565 RMPDHCHBLWTKSK-UHFFFAOYSA-N 395.894 2.722 0 40 GFAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCCCc1ccccc1 5485136 BHQLMKGGVZTBFV-UHFFFAOYSA-N 391.475 2.705 0 40 GFAB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(C)C(=S)N1CC(=O)OC 6554597 CMZFGFPJZGBCMX-WJDWOHSUSA-N 384.457 2.811 0 40 GFAB CCOC(=O)CCCNC(=O)COC(=O)C(c1ccccc1)c1ccccc1 5861392 XHFLXMACUJTBGI-UHFFFAOYSA-N 383.444 2.821 0 40 GFAB CCCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 5882904 HCPJXJXGAFXGSX-UHFFFAOYSA-N 396.534 2.999 0 40 GFAB COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(=O)[nH]c2)c2ccc(C)cc2)cc1 18254285 NLHUZFAMAUCHPI-FQEVSTJZSA-N 391.427 2.802 0 40 GFAB Cc1ccc(C)c(OCC(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 7160025 RDDMNQGNHCUIDM-MRXNPFEDSA-N 396.443 2.989 0 40 GFAB COCCN1C(=O)N[C@H](c2cc(Br)cs2)C(C(=O)OC)=C1C 8884238 WTLNUONZSKOOTC-GFCCVEGCSA-N 389.271 2.670 0 40 GFAB COc1ccc(NC(=O)COc2coc(CN3CCCC3)cc2=O)cc1Cl 71284679 LXYJPYVVVWDJSQ-UHFFFAOYSA-N 392.839 2.915 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 16177626 QZGUAUONWYDVMI-CYBMUJFWSA-N 393.443 2.851 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O 7813630 XAOXZQXEDPGACV-CYBMUJFWSA-N 396.365 2.596 0 40 GFAB CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1=O 8027141 AHBGUOWRCXTCLG-OAQYLSRUSA-N 389.415 2.662 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 16821386 WYSKYISSCKVOHS-CABCVRRESA-N 382.416 2.679 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)nc1 96001360 USILWCUPLMRSKH-QGZVFWFLSA-N 391.431 2.988 0 40 GFAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCc1cccnc1 9420668 MHMCVMJSTFQNBX-UHFFFAOYSA-N 386.411 2.936 0 40 GFAB CNC(=O)NC(=O)[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 9646750 JPPFUOVCTPWMMB-ZDUSSCGKSA-N 382.203 2.742 0 40 GFAB Cc1ccnn1-c1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2F)c1 78938586 CPULVPILHJUXIT-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB Clc1ccc(OCCN2CCN(Cn3cc(Br)cn3)CC2)cc1 95956002 SCEGDMKROINELL-UHFFFAOYSA-N 399.720 2.953 0 40 GFAB CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 22277165 VBCDWWRQORTVAP-UHFFFAOYSA-N 382.869 2.598 0 40 GFAB CCOc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCCC1 408697331 JCJIBRAQSXKDEB-UHFFFAOYSA-N 380.510 2.886 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@@H]12 408917712 AGVORKGDFQYBGB-CRJCFHLZSA-N 395.196 2.514 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2)Oc2ccc(Cl)cc21 38833153 SKSHOSLANQXBBE-INIZCTEOSA-N 380.853 2.896 0 40 GFAB CCOc1cc(NC2CCN(C(=O)[C@@](C)(O)CCc3ccccc3)CC2)ncn1 513820490 QHSGYMPTMATEOL-QFIPXVFZSA-N 398.507 2.662 0 40 GFAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NC[C@@H]1CCS(=O)(=O)C1 524732485 HYDFHLFDJFHIQH-YOEHRIQHSA-N 380.897 2.672 0 40 GFAB COc1cc2nc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)[nH]c2cc1OC 527196075 KKAHMXJTKIRWQO-JYILRKAJSA-N 385.342 2.875 0 40 GFAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2cc3ccccc3s2)cc1 72321716 CHUNGXOXXUUVIM-XNFNUYLZSA-N 383.469 2.918 0 40 GFAB biogenic,in-vitro C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)C1 30442569 LNKNTHPNNUKYBI-HNNXBMFYSA-N 382.501 2.626 0 40 GFAB CC[C@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30064048 WGXYHVAFSLBRBK-IBGZPJMESA-N 388.489 2.684 0 40 GFAB O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1nc2ncccn2n1 36618725 FCRNWHAYRMTGTE-UHFFFAOYSA-N 388.218 2.928 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)s1 566003737 JNRVWVVEBJOOAI-SFHVURJKSA-N 377.487 2.762 0 40 GFAB COc1cccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc12 36569773 AFRQACJMOLKJAK-GFCCVEGCSA-N 395.415 2.705 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)Nc2cc(F)ccc2F)n1 72339961 BIIVTQYHSOPZPU-GFCCVEGCSA-N 387.390 2.739 0 40 GFAB CCN1CCN(CCCNC(=O)c2cc(Br)ccc2Cl)CC1 41443317 PNRMMCPRYDVOTE-UHFFFAOYSA-N 388.737 2.860 0 40 GFAB Cc1ccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 224848238 JGCYKZOSXHDRGE-UHFFFAOYSA-N 392.496 2.645 0 40 GFAB CCc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 223074935 DOEJJXQQNILDJW-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1Cl 223833839 QOCRBOOOPWRDKU-UHFFFAOYSA-N 382.825 2.886 0 40 GFAB Cc1cccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 224626457 UCJRAPNIHBHXHU-UHFFFAOYSA-N 390.505 2.736 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257328116 XEFRTJMWWXNHIX-OAQYLSRUSA-N 380.488 2.585 0 40 GFAB Cc1cccc(C(=O)N2CCC(Cc3nc(C)cc(-c4nccn4C)n3)CC2)n1 257223135 DWAYTKIHXJECNP-UHFFFAOYSA-N 390.491 2.984 0 40 GFAB Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C 257283609 OYZYXTUDWSIQAD-HNNXBMFYSA-N 380.539 2.808 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC(Oc4ccncc4)C3)C2)cc1 590007001 NQMSJWGXDRTQOA-GOSISDBHSA-N 379.460 2.532 0 40 GFAB N[C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 652383156 BLNLQIDEWVEPPW-WOPDTQHZSA-N 398.472 2.816 0 40 GFAB COc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1 96103771 VJAUKVGORFAHKX-UHFFFAOYSA-N 389.399 2.766 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340585 RCXQWKMBNDPPSA-UHFFFAOYSA-N 375.372 2.798 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 96367550 BUJNOPITWWYJRV-IBGZPJMESA-N 375.421 2.933 0 40 GFAB OCCN1CCO[C@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1 585262878 NVHIERZAZZXTBJ-KRWDZBQOSA-N 392.381 2.781 0 40 GFAB O=C(NCC(F)(F)F)[C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12 1772595705 KHXXBKFBHNDBPK-RYRKJORJSA-N 398.425 2.773 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1 11979351 PFJSLYNBKTZIDW-UHFFFAOYSA-N 386.429 2.997 0 40 GFAB CCOc1ccc(OCCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 12950969 VCSCRRVTIIZTQU-UHFFFAOYSA-N 389.452 2.530 0 40 GFAB COc1ccc(-n2c(S)nnc2-c2ccc(NS(C)(=O)=O)cc2)cc1 13454281 MBQGIBWRIPSBCX-UHFFFAOYSA-N 376.463 2.603 0 40 GFAB CN(C[C@@H](O)C1CC1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 645752533 LXHYDNRROBSGAX-MRXNPFEDSA-N 377.872 2.927 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)n1 245015197 LQIBGCQTPBJFEB-GOSISDBHSA-N 383.448 2.636 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6310281 BWVZNQILRICHRU-UHFFFAOYSA-N 396.896 2.741 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1 11000806 ZVQYJJKQHNGKID-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB COc1cnc(N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)nc1 1888896958 KKPUOPJVMZLGPQ-UHFFFAOYSA-N 380.452 2.701 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2OC)s1 21686811 AVPYXEKTXJQEBJ-UHFFFAOYSA-N 396.534 2.646 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2ccccc2F)CC1 36452024 XLMXXIHEQLVUBV-UHFFFAOYSA-N 383.467 2.768 0 40 GFAB COc1cncc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037989135 WVVWTKJURAAZFS-QFIPXVFZSA-N 381.476 2.878 0 40 GFAB Cc1nc(C(=O)N2CCC[C@@]3(COCCN(c4nccs4)C3)C2)cs1 1614933052 NMEWQFUWDCJYJH-QGZVFWFLSA-N 378.523 2.667 0 40 GFAB Cc1nnc([C@@H]2CN(C)C(=O)[C@H]3CCN(C(=O)C4CCC(C)CC4)CC[C@H]32)o1 1565549152 QVOORWUGDRZYAV-KJLWTYROSA-N 388.512 2.615 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(OC)c1 3007474 JCZIQLFAAGJJMP-UHFFFAOYSA-N 379.372 2.799 0 40 GFAB COc1ccccc1CNC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 5401879 BBYSBESTKVLABR-UHFFFAOYSA-N 377.444 2.852 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1F 13848738 BHXRYESASZZOQP-UHFFFAOYSA-N 392.452 2.800 0 40 GFAB COc1ccc(CCS(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1 16972154 CAGGLRRMTHPNCQ-UHFFFAOYSA-N 389.517 2.906 0 40 GFAB CC(C)(C)c1cc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)[nH]n1 1775973221 KKAWFPXPHIGNRV-UHFFFAOYSA-N 377.448 2.628 0 40 GFAB COc1cccc(CNC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 40139371 GIFVGLKPLKEUNV-ZDUSSCGKSA-N 377.466 2.627 0 40 GFAB Cc1nccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)n1 40150376 IQQQWDNIFCFNIY-UHFFFAOYSA-N 375.454 2.787 0 40 GFAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1cc(F)ccc1F 21023999 HOMQNUQACNAFOS-UHFFFAOYSA-N 399.332 2.614 0 40 GFAB COC(=O)c1ccccc1NC(=S)NC(=O)C[C@@H]1C[C@H](C(C)=O)C1(C)C 3171868 CJNZGFCOGLDAGR-GXTWGEPZSA-N 376.478 2.928 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(Br)cc2)o1 4166317 DILRWRGHNOFPNG-GFCCVEGCSA-N 384.251 2.626 0 40 GFAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 4904356 LUBXAJGFWSHJNO-MRXNPFEDSA-N 378.519 2.508 0 40 GFAB aggregator COc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 6322677 CRDYZQFRJAXUEY-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)NC1CCCCC1 7939814 LRGVXJRJOQEHFE-UHFFFAOYSA-N 376.453 2.796 0 40 GFAB COc1cc(CN2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)cc(OC)c1OC 100773121 JIAYDAIMXLLOBF-IRXDYDNUSA-N 388.508 2.793 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1cccc(O)c1 12324138 RYICRCHGZJJZQC-UHFFFAOYSA-N 389.458 2.831 0 40 GFAB CCOC(=O)C1=NO[C@@H](c2cc3c(c(OC)c2Br)OCO3)[C@H]1C 12412893 ODWJTUZFEIWPAS-JVXZTZIISA-N 386.198 2.813 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCCC1=CCCCC1 61720373 SPMDJYBBLWZNOO-SFHVURJKSA-N 384.524 2.913 0 40 GFAB CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl 796930 OYYJZRHYPJPZAH-UHFFFAOYSA-N 377.249 2.523 0 40 GFAB COCCc1ncc(CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 57797147 SADUSKTWHJLTOV-UHFFFAOYSA-N 392.459 2.992 0 40 GFAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 24177689 XOUAUVOLKYCJEW-UHFFFAOYSA-N 394.471 2.765 0 40 GFAB C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(-n2ccnc2)cc1 12520776 LXBBZEXCYMOCMI-HNNXBMFYSA-N 383.473 2.908 0 40 GFAB COC(=O)c1sccc1NC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 25100126 QYVLQCBRIPZTOL-LBPRGKRZSA-N 392.433 2.633 0 40 GFAB CCOC(=O)[C@H]1CC(=O)[C@H](c2cccc(Cl)c2N2CCN(C(C)=O)CC2)C1 57328099 IXOLELMXQSNFFS-ZBFHGGJFSA-N 392.883 2.634 0 40 GFAB O=C(NC(=S)N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 3215431 UVEXHZJCKJYRHQ-UHFFFAOYSA-N 392.484 2.886 0 40 GFAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 26540573 GKZHAJCBFBZBKB-UHFFFAOYSA-N 398.462 2.856 0 40 GFAB O=C(Nc1cccnc1-n1cccn1)N(Cc1cccnc1)C[C@H]1CCCO1 48081192 XHSSQYZCWRBIOA-QGZVFWFLSA-N 378.436 2.875 0 40 GFAB C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O 20466623 QRLPNJWAPSTPDF-WPVLZUISSA-N 376.541 2.619 0 40 GFAB biogenic,in-vitro COc1ccc(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc1OC 44841828 VKPWSAGYOXMUFE-UHFFFAOYSA-N 376.796 2.721 0 40 GFAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1 58264397 LWXKKKJBBHUTTE-GXTWGEPZSA-N 379.888 2.921 0 40 GFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 28665673 NKAWRTLFMVEVNY-SFHVURJKSA-N 388.489 2.969 0 40 GFAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 2406542 NGALZHVYTLPWRS-DOTOQJQBSA-N 391.489 2.825 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCc2csc(-c3ccsc3)n2)cs1 21839494 PJLYHMWZSCWRFE-UHFFFAOYSA-N 386.501 2.938 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cnn(-c4ccccc4)n3)sc2c1 12896180 GUWJBPZDUIAPNN-UHFFFAOYSA-N 399.457 2.533 0 40 GFAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CC(=O)Nc2ccccc21 3424335 QRZAXPKWQLKMET-UHFFFAOYSA-N 393.472 2.962 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)O)cc2)n2ncnc2N1 8609951 BMBANUISZIOHRB-QGZVFWFLSA-N 375.388 2.904 0 40 GFAB CCCn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)n[nH]c1=O 4198231 QCERNUZSUPBWHP-UHFFFAOYSA-N 389.308 2.739 0 40 GFAB CCOC(=O)c1c(N)sc2c1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]21 18136545 IQOIFVALVZGMDY-STQMWFEESA-N 376.478 2.855 0 40 GFAB COc1ccc(NC(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 49999316 CTMINHRMTLJQEF-UHFFFAOYSA-N 379.420 2.561 0 40 GFAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 6267074 JXINXUFLHOSMLE-SWHYSGLUSA-N 382.338 2.863 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 8877515 BGUKJTTZTWXSBK-MSOLQXFVSA-N 392.908 2.970 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(N3CCCC3=O)c(Cl)c1)CS2 14802639 BCIHGPFIRUMVHT-KSSFIOAISA-N 393.896 2.859 0 40 GFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 67287101 WPPWOOATUGPHOV-LJQANCHMSA-N 387.480 2.742 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)N(C)Cc1ccco1 7028819 KCDHMAMVAGNNRS-UHFFFAOYSA-N 381.432 2.957 0 40 GFAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCc1nc2ccccc2s1 7270857 GJTHTRJYPNBFSJ-NSHDSACASA-N 394.547 2.694 0 40 GFAB CC(C)c1noc(CCNC(=O)[C@H]2CCCN2c2ncnc3sccc23)n1 68162504 UWAUNKHPWAXHDA-CYBMUJFWSA-N 386.481 2.525 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2c(F)cccc2Cl)C1=O 7764302 CIFPFRFUHMFCEZ-SFHVURJKSA-N 375.787 2.520 0 40 GFAB COc1cc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc(OC)c1O 9169532 COHCIZCZJLYJAJ-ZDUSSCGKSA-N 393.399 2.634 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCC2 8186617 YNBZBDKBOHPWHT-QFIPXVFZSA-N 376.412 2.588 0 40 GFAB CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 20443592 FWUHHYZRAQGWKY-UHFFFAOYSA-N 387.435 2.779 0 40 GFAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)c1 408551253 GYATTWCDFWIAQL-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CN2CCN(c3ccccc3)CC2)n1 72404232 QNHSHLKCARKXEY-UHFFFAOYSA-N 376.460 2.699 0 40 GFAB CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 95953207 RCTXKNHOVHTINP-UHFFFAOYSA-N 394.368 2.640 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OC 22518391 CWFMPESGUQXCGD-ZDUSSCGKSA-N 392.477 2.875 0 40 GFAB COc1ccc(-c2nc(SCC(=O)Nc3ccc(C(N)=O)cc3)no2)cc1 32611996 UAOYPFGWVFEQJU-UHFFFAOYSA-N 384.417 2.575 0 40 GFAB CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 39985386 CFWSPJVKFXGUJA-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 408758987 VZGFOKONQSNYMD-CRJCFHLZSA-N 395.196 2.514 0 40 GFAB O=C(NCC1CCc2ccccc2CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O 527770548 FTMGXBMTZWLBJO-MRXNPFEDSA-N 383.414 2.644 0 40 GFAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@@H](C)NC(=O)c1ccccc1)CC2 5451969 ILXRGXDVXWACQJ-CABCVRRESA-N 382.460 2.968 0 40 GFAB biogenic Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cn1 72371628 FOGKQUWAHQOMOR-CQSZACIVSA-N 383.427 2.534 0 40 GFAB O=c1nc2n(Cc3cccc(Cl)c3)cccc-2c(=O)n1Cc1ccccn1 32615353 PWWRDDOZOJCLKA-UHFFFAOYSA-N 378.819 2.655 0 40 GFAB COc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccccc2)n1 225926865 PVQKTYFXUKMHFN-UHFFFAOYSA-N 384.490 2.913 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 225977555 MQOPFHHRJRKAGC-UHFFFAOYSA-N 382.869 2.926 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222667333 ODUFAYQDQJWLRB-UHFFFAOYSA-N 380.441 2.556 0 40 GFAB COCc1cccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 223691466 CFHIAHUUGSXGIW-UHFFFAOYSA-N 376.478 2.855 0 40 GFAB O=C1COC(=O)N1[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 225700335 JDZYTIVNMOJKGA-OAHLLOKOSA-N 376.840 2.732 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1CCCCC1 225204360 ISKCCWSLRBDAKN-SFHVURJKSA-N 382.526 2.936 0 40 GFAB COc1cc(=O)n(CC(=O)Nc2ccc(C)cn2)nc1-c1ccc(Cl)cc1 96100857 NOVXIYNDNAOBLJ-UHFFFAOYSA-N 384.823 2.914 0 40 GFAB O=C([C@@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1)N1CCOCC1 96264450 LVPTWRLWCCGHGM-HNNXBMFYSA-N 375.519 2.872 0 40 GFAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)C2CCSCC2)C3)n1 247850658 ALRVPNIHKDUMIW-GOSISDBHSA-N 376.522 2.810 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@H]2C(N)=S)cc1 242463550 DFDZFDGIGHWDND-ZACQAIPSSA-N 375.471 2.566 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Cn2cc(Br)ccc2=O)o1 42398875 HBJJVLWZEQRNRF-BXUZGUMPSA-N 379.254 2.986 0 40 GFAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4ccnc4)C3)o2)cc1 257323858 WMCRTKGHNNKZRZ-QGZVFWFLSA-N 380.448 2.877 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1 260793117 KBWDUYSLBZORIJ-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB Cc1cc2c(=O)c(-c3ccc(OCC(=O)O)cc3)coc2cc1OCC(=O)O 263583638 PCFOAPPWNGTSEJ-UHFFFAOYSA-N 384.340 2.695 0 40 GFAB CN(C(=O)CCSCc1nc(O)c2ccccc2n1)[C@H]1CN2CCC1CC2 610064933 RXQWHWLEKOQQDM-KRWDZBQOSA-N 386.521 2.511 0 40 GFAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1O 632137528 OGYUCMXXCXPNTJ-TZMCWYRMSA-N 388.917 2.607 0 40 GFAB CCn1nccc1[C@@H]1OCCC[C@H]1CN(C)C1CCN(c2cnccn2)CC1 668085891 WVMUZTGLCDUGKB-LAUBAEHRSA-N 384.528 2.762 0 40 GFAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)[nH]nc21 668823661 KREGSKMOARVYIP-RRFJBIMHSA-N 392.463 2.597 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414977 VOIGNAIGLINKPN-ROUUACIJSA-N 391.514 2.750 0 40 GFAB CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1csc2ccccc12 585124183 OHFLTBXBZCXHCL-CZUORRHYSA-N 377.491 2.926 0 40 GFAB CN1C(=O)CN(CC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)C1=O 585123519 ZUCHBRGSGLVBCU-SFHVURJKSA-N 397.862 2.860 0 40 GFAB CCc1nc2ccccc2n1CC(=O)N[C@H]1CCCc2cn(CCOC)nc21 509691706 BPDSCHNKKSHLJE-KRWDZBQOSA-N 381.480 2.635 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153354 CIIWVBCDBJJXIF-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB CC(C)c1cc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n(C)n1 1615161384 VHKHYQQJVROUAH-UHFFFAOYSA-N 396.491 2.582 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(c3ccnc(C(C)C)n3)C2)n1 1775974738 NSRYWYVCEUWUBD-UHFFFAOYSA-N 377.448 2.894 0 40 GFAB CCn1ncc(C(=O)N2CCC3(CC2)C[C@](O)(c2ccc(F)cc2)CO3)c1C 12145882 XDHVIZQOCICVNO-OAQYLSRUSA-N 387.455 2.633 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13674926 RHTKIZDRWBYUED-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCc3ccccc3C2)C(C)C)cc1 14166429 NCFSFWBWEIINPR-HXUWFJFHSA-N 386.517 2.883 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 14400868 HNNLZHRJPHBFMF-UHFFFAOYSA-N 396.852 2.864 0 40 GFAB COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O 14589871 GMMHQFAVUZIMEL-RTBURBONSA-N 378.421 2.564 0 40 GFAB biogenic,in-vitro CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(OC)c1 17080091 VERLYCACTPXIIP-INIZCTEOSA-N 392.411 2.794 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19210859 PVFLDTCQRHDXHJ-QZTJIDSGSA-N 394.519 2.946 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)s1 19217310 JPVNBIXSYMTXPC-UHFFFAOYSA-N 393.490 2.688 0 40 GFAB O=C(NCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 19330734 LLJBGUALZRSOFG-UHFFFAOYSA-N 394.397 2.906 0 40 GFAB CC(C)C[C@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 19446789 WDIHJWDLWRHQSY-QGZVFWFLSA-N 386.500 2.926 0 40 GFAB CC(C)NC(=O)[C@H]1CN(Cc2cccs2)C[C@@H]1c1ccnc(N2CCCC2)n1 19450089 YVRXGSSMTDFHEA-ROUUACIJSA-N 399.564 2.879 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c(C)c1C 19556147 QQWUSNZSJIRRLC-XOBRGWDASA-N 396.539 2.949 0 40 GFAB CNc1cc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)nc([C@H]2CCCNC2)n1 19709582 HVAYLAIVMWQZIX-ZDUSSCGKSA-N 396.470 2.878 0 40 GFAB Cc1ccc([C@@]2(O)CCN(C(=O)c3ccc(C)c(N4CCOCC4)c3)C2)cc1 19716628 PHLXGOYQJLNBGL-HSZRJFAPSA-N 380.488 2.874 0 40 GFAB Cc1nc(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2C 19739277 UYPZCQNQJWQWNL-UHFFFAOYSA-N 394.523 2.987 0 40 GFAB Cc1cccc(CCNC(=O)Cn2cc(NC(=O)c3ccc(F)cc3)cn2)c1 19749423 YJOJNUPWGGKKDS-UHFFFAOYSA-N 380.423 2.942 0 40 GFAB COCC12CCCCN(C(C)=O)CCOc3ccccc3C(=O)N(CC1)CC2 643574958 FMGHDUUFXVDPKP-UHFFFAOYSA-N 388.508 2.967 0 40 GFAB O=c1ccc(-c2ccccc2)nn1CC1(O)CCN(Cc2cccs2)CC1 13267245 NRROSJWIXMZYNM-UHFFFAOYSA-N 381.501 2.999 0 40 GFAB Cc1cc(N2CCC(COc3ccc4nc(C)c(C)n4n3)CC2)n2nccc2n1 1888909451 LMNZPFCZRWQZGV-UHFFFAOYSA-N 391.479 2.993 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(C)s4)CC3)n2)n1 1775996227 CTKZFCUTTSHFOF-UHFFFAOYSA-N 397.504 2.893 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)Cn1c(-c3cccnc3)cnc1CO2 1565541726 QWFQBOQFOVKZNF-UHFFFAOYSA-N 393.447 2.755 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(F)c4)cnc32)cc1C 4166101 YDZNVVAGCSXLSP-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 9066624 VLYREUMUWSTQLT-IBGZPJMESA-N 388.464 2.564 0 40 GFAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1775969428 QQUVYZQLGOWGNE-CQSZACIVSA-N 381.885 2.918 0 40 GFAB Cc1cc(OC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cc(=O)o1 206975592 BNGBWMJWZJLBON-UHFFFAOYSA-N 381.425 2.628 0 40 GFAB Cc1nnc2c(N3CCC(NC(=O)c4c(F)cccc4Cl)CC3)nccn12 585399412 PLWIPCAFVZXTKF-UHFFFAOYSA-N 388.834 2.624 0 40 GFAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 13570329 JXAMIJGHPRMZGN-QGZVFWFLSA-N 380.448 2.940 0 40 GFAB O=C(NCc1ccncc1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40119905 IFULKBDOCLICTN-OAHLLOKOSA-N 377.366 2.765 0 40 GFAB CC(C)CN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 40158163 INIFLNBTIYEZSM-APWZRJJASA-N 398.511 2.927 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 31808161 NUSBEJAMVLUEEE-UHFFFAOYSA-N 377.448 2.547 0 40 GFAB O=C(NCc1cccc(Cl)c1)c1nc(COc2ccc3c(c2)OCO3)no1 20714949 OURMKHQNFRZWEE-UHFFFAOYSA-N 387.779 2.961 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 7954902 NTCBIEZYIJGEDH-SFHVURJKSA-N 385.464 2.977 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1 780180 BRMHDBDCZKBJDU-UHFFFAOYSA-N 386.433 2.983 0 40 GFAB COC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(Nc2ccc(OC)cc2)s1 32593942 RHYBGFIYDLBCIR-OAHLLOKOSA-N 398.444 2.934 0 40 GFAB O=C(CN(C(=O)c1csnn1)c1ccc(F)cc1)NCc1ccc(F)cc1 1346807 WWOAQTXVTIINTK-UHFFFAOYSA-N 388.399 2.780 0 40 GFAB CN(C)C(=O)CN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 32721496 NEIYRFHYQUEEHR-UHFFFAOYSA-N 391.924 2.915 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(=O)NC1CC1 21543569 OLPUIZNMKMUMCN-YJYMSZOUSA-N 379.412 2.965 0 40 GFAB CCOC(=O)C1=C(CN2CCCc3ccc(C(F)(F)F)cc32)NC(=O)N[C@@H]1C 32868846 PVEXNUPWUBJVPE-LLVKDONJSA-N 397.397 2.977 0 40 GFAB C[C@H](c1cccs1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 32825840 HRDKSHQBGWGNNK-CQSZACIVSA-N 393.534 2.763 0 40 GFAB C[C@@H](NS(=O)(=O)c1cccc(Br)c1)c1ccc(NC(N)=O)cc1 32927578 PGPVRBPLHAVGKQ-SNVBAGLBSA-N 398.282 2.979 0 40 GFAB C[C@H](C(=O)NCC1CCCCC1)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8324007 JICPRUUJMSSEIJ-QRQCRPRQSA-N 383.492 2.855 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C3CCCCC3)C2)cc1 20492972 LECUVYWTPCHGPO-MRXNPFEDSA-N 394.537 2.887 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(F)cc1 20015378 YAGFZMUCYVGMND-UHFFFAOYSA-N 390.358 2.643 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 41673129 RUNGWBXYWZFIHD-MRXNPFEDSA-N 388.489 2.880 0 40 GFAB O=CN1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CCC3)CC1 9937623 KDLSSBREKAVZKX-UHFFFAOYSA-N 385.855 2.671 0 40 GFAB CC(=O)N[C@H](CC(=O)OCCCn1c(=O)[nH]c2ccccc21)c1cccs1 12175558 DCLLHVCWHOPRFJ-OAHLLOKOSA-N 387.461 2.592 0 40 GFAB COc1ccc(-c2nc(CC(=O)NCC(C)(C)N3CCOCC3)cs2)cc1 23762788 JSAZPVGKJWCSDS-UHFFFAOYSA-N 389.521 2.588 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccs2)N1Cc1cccnc1 12324266 BXCASFGAMUQNEQ-MJGOQNOKSA-N 386.498 2.992 0 40 GFAB COc1ccc(OC)c(NC(=O)CNC(=O)c2cc3c(OC)cccc3[nH]2)c1 20717664 LQJJUADRPSNUIA-UHFFFAOYSA-N 383.404 2.562 0 40 GFAB COc1ccc2cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c(C)nc2c1 27107277 FATKUHZTJFDHQY-UHFFFAOYSA-N 385.445 2.760 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 10448643 FXPZXBUGVHLHMM-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB O=C(O)c1ccc(N2CN(CCc3ccc(Cl)cc3)CC([N+](=O)[O-])=N2)cc1 20457678 NGYNFTQIQONWLR-UHFFFAOYSA-N 388.811 2.951 0 40 GFAB COc1ccc([C@@H](CN2CCN(C)CC2)NC(=O)c2ccc3c(c2)CCC3)cc1 58178610 GGKSHMFTDQBQOB-HSZRJFAPSA-N 393.531 2.902 0 40 GFAB CC(C)NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399791 UFOYGBLCOCBIOY-CQSZACIVSA-N 385.555 2.652 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)c[nH]c12 3322737 VDBFRAUKWNGQIT-YWZLYKJASA-N 386.473 2.910 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)N(Cc3cccnc3)C3CC3)CC2=O)c1 45143973 BSXFIYMXMDOUGC-INIZCTEOSA-N 395.459 2.643 0 40 GFAB COc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 12762087 NOTJVDUXXSVFRY-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB COc1ccc(C)cc1CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 12772324 OKEJWJZHEWLICX-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB CC(=O)N[C@H](CC(=O)OCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 3426941 GHQADNJNJKXGSJ-LEWJYISDSA-N 394.471 2.991 0 40 GFAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccccc2)C1=O 12948559 GAPBIYIUQPQVPY-GCJKJVERSA-N 395.434 2.956 0 40 GFAB CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C)C(=O)O 4000227 PUPLWZIOAIGMRK-FZMZJTMJSA-N 393.871 2.566 0 40 GFAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1Cc2ccc(C)cc2C(=O)O1 5032256 GUOFOXAADIGSNO-SFHVURJKSA-N 399.399 2.519 0 40 GFAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 5028765 CJBRUDDFMPWART-ZDUSSCGKSA-N 397.460 2.993 0 40 GFAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 13757925 BFMQBVCQRSCMQJ-UHFFFAOYSA-N 389.887 2.738 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 4308540 XSTJZDZWPDPVSJ-IBGZPJMESA-N 391.349 2.900 0 40 GFAB CCOC(=O)c1cc(C)sc1NC(=O)Cn1cnc2ccsc2c1=O 69926824 WYVLGCVZFITYFA-UHFFFAOYSA-N 377.447 2.643 0 40 GFAB CC[C@H](C)c1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C 6586517 FFRLYMOMICCKIF-ZDUSSCGKSA-N 392.525 2.902 0 40 GFAB C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc(Br)cc1 8705386 FVSNEAKMDSPTKK-LLVKDONJSA-N 377.238 2.804 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(s2)CCCCC3)cc1 6650740 FUULTFRADLTVKH-UHFFFAOYSA-N 378.519 2.637 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 6638372 CASKQZYKJLMQDQ-UHFFFAOYSA-N 397.500 2.925 0 40 GFAB COc1ccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1OC 5898898 JAFGVKLSLIBQMA-UHFFFAOYSA-N 395.419 2.880 0 40 GFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 409096568 DQZMRSRTKKCSQU-KEXZDQNZSA-N 386.223 2.753 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 408589763 FKKVCTWPXBZBON-RQZCQDPDSA-N 393.374 2.806 0 40 GFAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)[nH]c(=O)c1CCO 8993880 BPXFGRNORXULDL-VIFPVBQESA-N 385.848 2.525 0 40 GFAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N1CCCCCC1 7298799 IZZHJMTZZREFNB-XJKSGUPXSA-N 376.478 2.824 0 40 GFAB O=C1Cc2cc(S(=O)(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc2N1 9059673 WMNSBLMYNPLYBR-KRWDZBQOSA-N 382.445 2.583 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H](C)c3ccccc3)C2=O)cc1 7653744 BPOISKXQJOLYRY-OPAMFIHVSA-N 379.460 2.682 0 40 GFAB COc1ccc(-c2nc([C@@H]3CN(C(=O)Cc4ccc(C)nc4)CCO3)no2)cc1 96000883 RAJAZHCRVLBHMN-SFHVURJKSA-N 394.431 2.591 0 40 GFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 96031593 AUTCQXVTOIJYOT-YAQWBVNKSA-N 399.488 2.557 0 40 GFAB in-vitro Cc1ccc(NC(=O)[C@@H](C)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1F 96014164 MIDCDYHLHPUWPF-GOSISDBHSA-N 390.547 2.811 0 40 GFAB COc1cc(C2=N/C(=C\c3c(C)nn(C(C)=O)c3C)C(=O)O2)cc(OC)c1OC 96190194 WSWBOEBMFAWKTJ-DHDCSXOGSA-N 399.403 2.530 0 40 GFAB CN1CCCC[C@H]1CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 78958481 XCUDZASYAHVGMZ-INIZCTEOSA-N 385.961 2.521 0 40 GFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nnc(-c3ccco3)o2)C1=O 9991034 FITPNFVNOIKTFK-FQEVSTJZSA-N 378.388 2.786 0 40 GFAB COC(=O)COc1ccccc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C 409080379 NLLIBPBAWSSGEP-VBKFSLOCSA-N 388.489 2.971 0 40 GFAB CC(C)c1nccc(C2CCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)CC2)n1 89893771 RCPOOIYMADNIDX-GOSISDBHSA-N 384.524 2.955 0 40 GFAB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1 35425436 NTKNMNAPRWMPSP-KRWDZBQOSA-N 381.436 2.889 0 40 GFAB biogenic,in-vitro Cn1c(C(=O)O[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc2occc21 35315790 BQCNDGHRADOJGQ-HNAYVOBHSA-N 382.416 2.965 0 40 GFAB CS(=O)(=O)N1CCc2nc(NC(=O)c3c(F)cccc3Cl)sc2C1 77155173 BENKOIIYEWHOMJ-UHFFFAOYSA-N 389.861 2.506 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 39985476 DWLFOAKHGKNPFH-MRXNPFEDSA-N 390.505 2.892 0 40 GFAB Cn1ccnc1C(=O)N1CCC[C@@H](c2nc(N)ncc2-c2cccc(F)c2)C1 72346217 RUMYOPAJOXFQIH-CQSZACIVSA-N 380.427 2.618 0 40 GFAB O=C(c1cccs1)N1CC(C(=O)N2CCN(c3ccccc3Cl)CC2)C1 62022595 QDUYPVHNADZNIJ-UHFFFAOYSA-N 389.908 2.822 0 40 GFAB O=C(CNC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 40056945 JJQYKRLGNYHJCC-UHFFFAOYSA-N 379.203 2.532 0 40 GFAB CC[C@H](C(=O)NCCOc1cccc(C)c1)N(c1ccccc1)S(C)(=O)=O 224297584 PUHRQHYVVBGPNJ-LJQANCHMSA-N 390.505 2.735 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 41153900 CCBLITWHZYAMML-UHFFFAOYSA-N 389.433 2.622 0 40 GFAB CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1nnn(Cc2ccccc2F)c1C 570466098 YMMNERNSGIHPAN-ZDUSSCGKSA-N 389.353 2.551 0 40 GFAB COC1(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)CCC(C)CC1 225640330 CHNILZZFEDEZEB-UHFFFAOYSA-N 376.497 2.931 0 40 GFAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1 225879905 ZIZARRCKTRNIGO-UHFFFAOYSA-N 395.517 2.854 0 40 GFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 223224675 FTYFFCWIAAGJGA-UHFFFAOYSA-N 394.400 2.952 0 40 GFAB CCOc1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224769386 UTQBSPIMYYEXMS-UHFFFAOYSA-N 380.441 2.625 0 40 GFAB COc1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)c(OC)c1OC 222641571 VNRCIJXFCRSCNC-UHFFFAOYSA-N 387.432 2.733 0 40 GFAB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)NCC(=O)OC)ccc21 199417478 USAWXBAPJLZNCD-UHFFFAOYSA-N 381.432 2.822 0 40 GFAB CC(C)n1c(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)nc2ccccc21 95480355 PHTSAESXPIQIQA-HXUWFJFHSA-N 389.463 2.552 0 40 GFAB COCCn1c(C(=O)NCc2cnc(C)cn2)cc2c1c1ccccc1n2C 96264138 PVDVPQQVTPFVBM-UHFFFAOYSA-N 377.448 2.808 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccccc1C 96520166 FOHWZHMJANCQRF-GHMZBOCLSA-N 388.654 2.791 0 40 GFAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H](Cc1ccccc1)n1cnnn1 96224130 ZWIAIBXVBAIGKB-INIZCTEOSA-N 377.433 2.614 0 40 GFAB Cc1ccc(N2C[C@]3(COCCN(Cc4ccc(F)cc4)C3)OCC2=O)s1 96051464 GRRRWJWPVUVXMA-HXUWFJFHSA-N 390.480 2.830 0 40 GFAB CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(Br)cc1 96519700 FRDITKNTPIXHPF-IUCAKERBSA-N 392.496 2.815 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 243421650 MTZGHVOWSCRVIJ-UHFFFAOYSA-N 398.868 2.583 0 40 GFAB CCc1nccn1CC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257276813 NVFQSNCWWXFRLV-LJQANCHMSA-N 382.508 2.732 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3=CCCCC3)C2)cc1 260853220 VXVPBJDENQGTHK-KRWDZBQOSA-N 392.521 2.713 0 40 GFAB CN(C)c1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)ccn1 679463965 ZUOAAJDXFYGUIC-MRXNPFEDSA-N 395.467 2.689 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CC(Oc3nc4ccccc4s3)C2)c1 90594036 BBBIWVYNCXEGRT-UHFFFAOYSA-N 388.470 2.603 0 40 GFAB CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccc(C)s1 96385920 HBBJMDOTKXMJPE-MRXNPFEDSA-N 381.519 2.897 0 40 GFAB CC(C)c1ccc(-c2csc(N3C(=S)N[C@@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 575426181 OBNZQCGGUSBYNS-CABCVRRESA-N 393.559 2.794 0 40 GFAB Cc1nn(C)cc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615122045 PDTCDTTZYZKZQA-OAQYLSRUSA-N 386.471 2.656 0 40 GFAB CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OC)[C@@H]1O 5063445 BUDDROUPGITIJO-CDJZJNNCSA-N 388.460 2.536 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 12911025 JOFISXHELCRPTD-KRWDZBQOSA-N 387.480 2.732 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 15471731 UJMFHMYLTPSKSR-ZDUSSCGKSA-N 396.896 2.847 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)ccc3O)C2=O)c1 18265512 JVTVTPLJDDLRCU-OQLLNIDSSA-N 385.807 2.885 0 40 GFAB O=C(COc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nnc(-c2ccccn2)o1 19403342 NGBJSWWCJILPBG-HNNXBMFYSA-N 394.387 2.603 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)c1 19551066 CKVRBQAOSFYMPI-SFHVURJKSA-N 382.464 2.507 0 40 GFAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)N2CCOCC2)n1 19573635 VVWBYUHHYOHWED-BEFAXECRSA-N 390.915 2.732 0 40 GFAB COc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C)c(OC)c2)nc(OC)n1 19574705 MZTUHTIQULMGCJ-UHFFFAOYSA-N 383.408 2.557 0 40 GFAB NC(=O)c1cc([C@@H]2CCN(C(=O)COc3ccccc3)C2)nc2ccccc12 19754585 SYWUQABIPQLHMX-OAHLLOKOSA-N 375.428 2.729 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2cc(Br)ccc2Cl)C[C@H](C)O1 3351919 SDAJYMVTNKGFJC-UWVGGRQHSA-N 390.661 2.895 0 40 GFAB C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 5310063 HYBFUECISPKHCU-MRVPVSSYSA-N 375.841 2.830 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NCc3ccccc3)CC2)cc1 25221041 SSGIPUWQYHSCEW-UHFFFAOYSA-N 387.505 2.648 0 40 GFAB COc1ccc(CN2CCO[C@@]3(CO[C@@H](C(=O)NC4CCCCC4)C3)C2)cc1 2056226090 KAGVXKXRFXUMDW-IFMALSPDSA-N 388.508 2.504 0 40 GFAB C[C@H](NC(=O)c1cn(C)c2c(=O)n(-c3ccccc3)c(=O)[nH]c12)c1ccccc1 9819727 JAAANPYUBXONRA-AWEZNQCLSA-N 388.427 2.509 0 40 GFAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2scnc2C)C1 2055750840 DFVDJOLOQSINQK-HXUWFJFHSA-N 388.537 2.661 0 40 GFAB Cc1cnc(OC[C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc1 1775969402 OYMVZQGUHKONRP-SFHVURJKSA-N 396.491 2.553 0 40 GFAB COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1F 23127680 GUSINLNBGITJHF-UHFFFAOYSA-N 382.457 2.618 0 40 GFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38732575 KUZAMPNMQTZRDA-UONOGXRCSA-N 396.472 2.819 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N[C@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1 225628810 AWARQKKFKPSNKY-XJKSGUPXSA-N 393.472 2.572 0 40 GFAB COc1ccc(C)cc1NC(=O)NCCNc1cc(-n2ccnc2C)nc(C)n1 35598118 GOGPQHKPHCUMNN-UHFFFAOYSA-N 395.467 2.830 0 40 GFAB CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)cc2O1 8783073 LUTOWACLLUDXIT-GOSISDBHSA-N 390.417 2.830 0 40 GFAB Cc1sc2ncnc(N3CCN(c4nnnn4-c4ccccc4)CC3)c2c1C 30520772 JNQQFZCSARSTPI-UHFFFAOYSA-N 392.492 2.610 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(CCCc4ccccc4)CC3)C2=O)cc1 100218678 RZPHORQUHOIJAY-QFIPXVFZSA-N 391.515 2.877 0 40 GFAB Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)NC1CCCCC1 891482 CFTVNBLIIGKBIA-UHFFFAOYSA-N 384.509 2.754 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3N)n2C)cc1 1364460 GQDARSDHNYJTGG-UHFFFAOYSA-N 397.460 2.582 0 40 GFAB CC(C)NC(=O)CN1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1 32731521 VSPJMZVFXLIKQX-UHFFFAOYSA-N 383.492 2.548 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CN(Cc3ccc(OC)cc3)C3CC3)nc2c1 21582877 RIDHSLQXTCWQKC-UHFFFAOYSA-N 393.443 2.883 0 40 GFAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC)C2=O)cc1Cl 6951190 RAELLYUUNILNPB-KPKJPENVSA-N 387.219 2.848 0 40 GFAB CCn1c(CN2CCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 7503675 DKJYITVGYUCMSR-UHFFFAOYSA-N 384.505 2.869 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 7940163 BYPDGBLPHXJUNU-INIZCTEOSA-N 396.443 2.792 0 40 GFAB O=C(CNC(=O)c1ccccc1Cl)NCc1ccc(C(=O)N2CCCC2)cc1 32901131 BUIDABPTVKNRLW-UHFFFAOYSA-N 399.878 2.622 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 32987889 UIULQEAIKWKUPW-IBGZPJMESA-N 393.487 2.876 0 40 GFAB Cc1noc(C)c1CN1C(=O)COc2ccc(NC(=O)c3ccncc3)cc21 12290021 HBWQXUDTIYDVDJ-UHFFFAOYSA-N 378.388 2.864 0 40 GFAB C[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)NCc1ccco1 22473441 ZLFBDZNQZRACQY-GFCCVEGCSA-N 395.444 2.911 0 40 GFAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 58159780 NCKRPWLJXIIINJ-ROJDOSBLSA-N 384.929 2.920 0 40 GFAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CNC(=O)c1ccccc1 54084791 UQBICZVPETYERV-UHFFFAOYSA-N 376.460 2.898 0 40 GFAB Cc1noc(C)c1CN1CC[C@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 107231590 GZOAZYFVOXEUOU-NYHFZMIOSA-N 396.491 2.932 0 40 GFAB CN1C(=O)c2ccc(C(=O)NCc3ccc(Br)s3)cc2C1=O 25474758 TYXKHGUXTOVOAM-UHFFFAOYSA-N 379.235 2.666 0 40 GFAB CC(C)C(=O)NCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 48096718 YIRRIMDCLBGRAW-UHFFFAOYSA-N 382.464 2.857 0 40 GFAB Cc1cccc(C(=O)NCCCn2ccccc2=O)c1I 57591297 NRQXWPVZLCHXQH-UHFFFAOYSA-N 396.228 2.581 0 40 GFAB Cc1noc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 58210249 OCSQWVVXTPUWJW-UHFFFAOYSA-N 379.258 2.991 0 40 GFAB Cc1ccc(OCCN(C)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 58310308 GMVPBWBWXJBUJM-UHFFFAOYSA-N 388.489 2.686 0 40 GFAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c(C)cc(C(C)(C)C)cc1C 11205079 VPLVOYQJKARZGC-GOSISDBHSA-N 394.581 2.726 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)no1 48366904 HWLMVDHRSKNYJP-UHFFFAOYSA-N 393.447 2.589 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 8429225 HXGKOMKPWCFAJN-LBPRGKRZSA-N 386.477 2.680 0 40 GFAB Cc1cc(C)n2nc(SCCCCN3C(=O)c4ccccc4C3=O)nc2n1 3450048 WJPSXYOEKOQCIX-UHFFFAOYSA-N 381.461 2.910 0 40 GFAB Cn1c(SCC2=N[C@H]3C=CC=C[C@@H]3C(=O)N2)nnc1-c1cc2ccccc2o1 25142825 PJGBMOBJSPRFTI-KBPBESRZSA-N 391.456 2.960 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1C 12920473 CKRDASPWKMYGSZ-IEBWSBKVSA-N 393.487 2.968 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)cc2NC1=O 12920605 MYDCQGDVNIXKPL-NEPJUHHUSA-N 383.379 2.537 0 40 GFAB Cc1csc2nc(CN(C)CC(=O)Nc3ccc(Cl)cc3)cc(=O)n12 13039880 VMWJZCZICYAEIJ-UHFFFAOYSA-N 376.869 2.788 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)no1 13096301 UJXZWVZNRVCSBT-FQEVSTJZSA-N 378.388 2.542 0 40 GFAB COC(=O)Cn1c(C(F)(F)F)nc2c(Br)cc(C)cc2c1=O 4105131 PRCRQHDBFBWAPM-UHFFFAOYSA-N 379.132 2.659 0 40 GFAB O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)cc1 6079859 WRTGMBCMOYUFCU-UHFFFAOYSA-N 391.250 2.746 0 40 GFAB Cc1cccc(OCCNC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1 13984740 SOCHGTKLCDSINS-UHFFFAOYSA-N 387.480 2.525 0 40 GFAB CCCCN(C)C(=O)C1CCN(C(=O)c2ccccc2S(=O)(=O)CC)CC1 59923935 SHIKGVLPSQXYCQ-UHFFFAOYSA-N 394.537 2.591 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)NCc1ccccc1 8705413 KAORRRCEHNRETE-UHFFFAOYSA-N 395.488 2.524 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)N(C[C@@H]2CC=CCC2)C[C@@H]2CCCO2)cc1 4570429 QSAIKWFLQNXUQZ-WBVHZDCISA-N 379.478 2.911 0 40 GFAB Cc1c(C(=O)OCc2nnc(-c3ccccc3)o2)sc2ncn(C)c(=O)c12 14248549 PPOHEHSSSZDVNV-UHFFFAOYSA-N 382.401 2.710 0 40 GFAB COC(=O)c1nc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n[nH]1 5794138 HTQZNQBVVQPXRE-UHFFFAOYSA-N 394.416 2.758 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c1 6999123 JLPJNKPNMAJUQN-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB COc1cc2nc(CN(C)CCOc3cccc(C)c3)[nH]c(=O)c2cc1OC 15100463 KKXKMRGOGAKCSH-UHFFFAOYSA-N 383.448 2.760 0 40 GFAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4)c(=O)c3s2)C1 67226204 CQZNRZDMVPVBNS-CYBMUJFWSA-N 383.477 2.728 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)[C@@H](C)N1Cc2ccccc2C1=O 80329911 MBUQAUQKPQYGFT-OAHLLOKOSA-N 377.444 2.811 0 40 GFAB Cc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1Cl 15842569 XLJWKQICKXOHDH-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2)C[C@@H](C)O1 67929823 INRPRTPWYYAHFB-OKILXGFUSA-N 387.867 2.914 0 40 GFAB CCCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n[nH]c1=O 7699097 WBAHAJGWRNMTNI-LBPRGKRZSA-N 378.523 2.991 0 40 GFAB COc1cc(S(=O)(=O)NCCc2cccc(Cl)c2)ccc1NC(C)=O 8167928 VTKSOADCZBIAHA-UHFFFAOYSA-N 382.869 2.828 0 40 GFAB COCCn1ccc2c(NC(=O)[C@@H](c3ccccc3)n3cnnn3)cccc21 95482690 NMJGRVWBLHXCSP-LJQANCHMSA-N 376.420 2.502 0 40 GFAB Cc1cc(C)n(Cn2ccc(C(=O)Nc3ccc(-n4ccnc4C)cc3)n2)n1 28247003 OYHRCPUATWMMRX-UHFFFAOYSA-N 375.436 2.949 0 40 GFAB COC(=O)C1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20723199 OHTWLLPKCQLEHD-HNNXBMFYSA-N 395.253 2.941 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 408906934 KRPIFXBVXKULBW-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB COc1ccc(OC)c(-c2noc(CN3C(=O)NC4(CCCCC4)C3=O)n2)c1 546938086 KQFIAASQIFGWNY-UHFFFAOYSA-N 386.408 2.509 0 40 GFAB O=C(O)[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1cnc2onc(C3CC3)c2c1 514599618 HSBVTQFPCGVDAT-DZGCQCFKSA-N 393.465 2.802 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)N1CCc2ccccc2C1 409312598 FQYJUROOVIIPKL-BOPFTXTBSA-N 379.441 2.703 0 40 GFAB CC(C)Cn1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1C(C)C 529045239 NFVAQCXDBPBWIX-CABCVRRESA-N 382.530 2.846 0 40 GFAB Cn1cc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c(-c2ccco2)n1 529236949 ABPRAVJDMXBCSR-UHFFFAOYSA-N 393.447 2.599 0 40 GFAB CCCc1nnc(SCC(=O)Nc2nc3c(s2)CCCC3)n1CCOC 35312397 CXKLMLKFYAISNY-UHFFFAOYSA-N 395.554 2.943 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3OC)n2)cc1 219505667 RTJJIKHCDSIGKF-CYBMUJFWSA-N 383.404 2.838 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(C)cc2)cc1 225781146 FRCNQXUJUPVPLM-UHFFFAOYSA-N 392.546 2.996 0 40 GFAB NC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1 225555752 ZQCVBPGJBZEIIW-CQSZACIVSA-N 382.342 2.775 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)c(C)cc21 223358465 URXLARQPYPLMSE-UHFFFAOYSA-N 389.433 2.682 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222578859 OGPDQIBJIYPJQD-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB COc1ccc(CN(CCO)Cc2cc3ccccc3n(C)c2=O)c(OC)c1 576358021 VYCPBJSLIVCTKZ-UHFFFAOYSA-N 382.460 2.550 0 40 GFAB Cc1noc([C@H]2CN(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)CCN2C)n1 582561967 ZMLNBRMWQDQFEF-GOSISDBHSA-N 382.468 2.674 0 40 GFAB CN(C)c1nc2c(cc1C(=O)NCC1CC1)CCN(Cc1ccccc1)CC2 96260363 CJRVUROOTQPMJC-UHFFFAOYSA-N 378.520 2.888 0 40 GFAB CN(C)c1ccc(C(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260059 WUNDPEQNEQSRHO-UHFFFAOYSA-N 378.432 2.913 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O 257287113 POOUFMCOARPNKA-IDHHARJASA-N 387.871 2.535 0 40 GFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1ccccc1F 257253033 JXIJCZJXCVULSF-CGXNFDGLSA-N 384.451 2.601 0 40 GFAB CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 257299465 RQDTXIHHSJWHAE-QFIPXVFZSA-N 399.539 2.807 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1 260836355 OMQMNJAFFVPXGC-OXJNMPFZSA-N 386.473 2.546 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CC[C@@]2(O)CCCC[C@@H]2C1 604403949 FLAIOXCZEXUVBW-VGSWGCGISA-N 383.444 2.986 0 40 GFAB biogenic CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(C)n(-c3ccccc3)n2)C1 626475055 LOHRSZVKFRZBLA-GBESFXJTSA-N 383.496 2.944 0 40 GFAB NC[C@@H]1CCCC[C@H]1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 638268767 PTCAQCXJAYNCSD-FUHWJXTLSA-N 392.931 2.715 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)N2)c1 653057976 ZFWSBSUGYBWYHE-PMACEKPBSA-N 399.516 2.981 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C 664360489 SWCCSRSWALAYRT-VJYIFWQRSA-N 384.480 2.811 0 40 GFAB CC[C@H](C)C(=O)N1CCC2(CC1)CN(C(=O)c1nc(C(C)C)oc1C)CCO2 1615612001 UALNPXNJAWHIJS-HNNXBMFYSA-N 391.512 2.986 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96373943 DERLVRQMYAXDFU-UHFFFAOYSA-N 378.425 2.770 0 40 GFAB CC(=O)N1CC(OCC(=O)Nc2ccccc2-c2nc3ccc(C)cc3[nH]2)C1 585090153 OBHYMLCXWSHEDA-UHFFFAOYSA-N 378.432 2.724 0 40 GFAB O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc(N2CCOCC2)ncn1 630871053 GNKWBUBQPQXKEG-UHFFFAOYSA-N 378.436 2.709 0 40 GFAB COCCOc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)ccn1 182263537 SNRRJIWXRUTTRY-UHFFFAOYSA-N 375.856 2.723 0 40 GFAB O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5441117 MKCDTTNISREXJB-JKSUJKDBSA-N 393.491 2.767 0 40 GFAB biogenic,in-vitro CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5706617 JXLRIEAELYWLGD-RTBURBONSA-N 398.459 2.894 0 40 GFAB COc1ccccc1CN(CCN(C)C)C(=O)[C@H]1CC(=O)Nc2ccccc21 12238265 UWGJZPYYTPNJIE-SFHVURJKSA-N 381.476 2.711 0 40 GFAB O=C(CSc1nc(O)c2ccccc2n1)NCCc1nc2ccccc2[nH]1 12360237 SDVKWLHBCPEBEL-UHFFFAOYSA-N 379.445 2.663 0 40 GFAB biogenic,in-vitro Cc1cc(C)c(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c(C)c1 12991668 WXGZHIXMOKSZJE-FQEVSTJZSA-N 388.533 2.964 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 13042097 UWDNMCKIGGUBRU-INIZCTEOSA-N 396.491 2.608 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCCC1 16187731 GXXDXNNEYOWGEW-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB N[C@@H](C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1)c1ccccc1 19369136 CJQYSBQCACENKT-LJQANCHMSA-N 398.894 2.743 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 19590447 DIUCPFKEOCKEQZ-HNNXBMFYSA-N 396.491 2.502 0 40 GFAB Cc1c(-c2ccnc3cc(C(=O)N[C@H]4CCOc5ccccc54)nn23)cnn1C 19665063 ZDSYIHXQKGBTCZ-INIZCTEOSA-N 388.431 2.692 0 40 GFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 19711430 DXSLDOQVVUHPDG-MRXNPFEDSA-N 397.498 2.594 0 40 GFAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 205766828 KEONSWNTLCFJKP-IZZDOVSWSA-N 386.223 2.667 0 40 GFAB Cn1c(N2C[C@@H]3CN(Cc4nnc(C(F)(F)F)o4)C[C@@H]3C2)nc2ccccc21 1888888227 HJAUODMJPSSZDC-TXEJJXNPSA-N 392.385 2.543 0 40 GFAB Cc1noc([C@@H]2CN(C(=O)[C@@H]3COc4ccccc4O3)C[C@H]2c2ccccc2)n1 238866095 LUTMOIKRQDUVIR-QKLQHJQFSA-N 391.427 2.928 0 40 GFAB COc1ccccc1CCNC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 239611735 FCSQIPXWUXQWNT-UHFFFAOYSA-N 388.471 2.947 0 40 GFAB Cc1ccnc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037989158 XZEZXIUMKRVROK-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB O=C(C1CC(F)(F)C1)N1CC[C@]2(CCCc3sc(N4CCOCC4)nc32)C1 1614941185 UNPHLMSAOHKOQN-GOSISDBHSA-N 397.491 2.831 0 40 GFAB Cc1nc2ncnn2c(N2CCC(COc3cc(C4CC4)ncn3)CC2)c1C 1565519101 BSBQGEWDMDIAMU-UHFFFAOYSA-N 379.468 2.704 0 40 GFAB Cc1nnc2ccc(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nn12 1775969530 WYUXAGNOECYEFO-UHFFFAOYSA-N 381.484 2.816 0 40 GFAB COc1ccc(S(=O)(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc1 101022431 GBRBMNDXVOSARO-ZCXUNETKSA-N 378.475 2.855 0 40 GFAB Cc1ccc(-c2ccc(C(=O)NCCOCCN3C(=O)CCC3=O)cc2)cc1 575619813 OEGZFBXQBOTXGP-UHFFFAOYSA-N 380.444 2.557 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NCc1nnc2c(C(F)(F)F)cccn12 225809338 COYLEAMUKOIBKR-UHFFFAOYSA-N 388.353 2.873 0 40 GFAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)c1csc2c1CCCC2 19346782 AWQLPLDGWNDDEI-CQSZACIVSA-N 395.532 2.879 0 40 GFAB COc1cc(NS(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccco1 12418969 JSBRRYYTUGELFJ-UHFFFAOYSA-N 379.438 2.683 0 40 GFAB O=C(CCN1CCSC1=O)NCc1ccc(N2CCc3ccccc3C2)nc1 40145606 XMVGJKHRGYPDMK-UHFFFAOYSA-N 396.516 2.819 0 40 GFAB O=C(CS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC1 40127603 PJGJHRUBMZAOQS-UHFFFAOYSA-N 395.484 2.686 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 100395056 QGBTWPVIZQOBMU-LUVWLHFXSA-N 383.444 2.994 0 40 GFAB Cc1ccc(N2CCN(C(=O)c3cc(-n4cnnn4)ccc3Cl)CC2)c(C)c1 32074990 HGILYVWCEZDKKA-UHFFFAOYSA-N 396.882 2.895 0 40 GFAB O=C(CN1CCCCCC1=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 46260908 WGMOTAQZDSDJEW-UHFFFAOYSA-N 378.494 2.744 0 40 GFAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCc3ccccc3)cc2c1 916825 NVUPHRDOMBCWSE-UHFFFAOYSA-N 395.528 2.960 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCCC1 1360724 RLLSXUDALKJRBC-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB COc1ccc(C(=O)[C@H](CCC(=O)c2ccc(O)cc2)S(C)(=O)=O)cc1 1582512 ODPIBGNNQBZCSA-SFHVURJKSA-N 376.430 2.660 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccncc2)CC1 21182115 ACUSPWOTOBEPOS-UHFFFAOYSA-N 385.411 2.607 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1 21316784 WZZSTCMFQHFDRH-AWEZNQCLSA-N 394.427 2.745 0 40 GFAB NC(=O)COc1ccccc1C(=O)OCc1ccc(F)cc1Br 21534971 VSCJVYLBORCTKJ-UHFFFAOYSA-N 382.185 2.809 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1C 4351914 VEQWXSTZSBVXBK-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(Cl)cccc1Cl 6378340 ZULSLPZKCHVFMM-CYBMUJFWSA-N 375.277 2.976 0 40 GFAB O=S(=O)(NC[C@@H](c1ccco1)N1CCCCCC1)c1ccc2c(c1)OCO2 11999467 NHTOWEUTXBTVHT-INIZCTEOSA-N 392.477 2.904 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSc2nc(C)cc(C)n2)c1C 7787076 XHVXEKZHMXCRMQ-UHFFFAOYSA-N 375.450 2.759 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)ccc21 22421056 LHAGYMSIPGVDPI-BJMVGYQFSA-N 399.472 2.619 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2sccc2C)N2CCOCC2)cc1OC 22702548 VWWVMNJVYWTZKP-MRXNPFEDSA-N 390.505 2.877 0 40 GFAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CC1 22839327 ZRLFXAOBDKPPOI-AWEZNQCLSA-N 392.908 2.855 0 40 GFAB O=C(CN1CCN(Cc2ccccc2)CC1)NCCCOCc1ccccc1 22933207 JVRXFMINIWHOHM-UHFFFAOYSA-N 381.520 2.527 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1C 47175260 PACSQFIQLLOTKQ-INIZCTEOSA-N 383.448 2.512 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 24226325 RIWXJILHUHTVFP-SJORKVTESA-N 386.521 2.893 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCC1)C2=O 61720886 BFMWVXIYDKAYLE-KRWDZBQOSA-N 386.448 2.543 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1OC 10008875 LTVSVVJVFSIPLE-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(-n2cnnn2)cc1 24391648 GLXYSDQSBGRXAL-UHFFFAOYSA-N 376.464 2.925 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1 27454562 NIIBOECNGPXEQI-INIZCTEOSA-N 381.451 2.561 0 40 GFAB CC1CCN([C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)c2cccs2)CC1 27573200 XMHDOQSYWQKAOK-GOSISDBHSA-N 396.520 2.927 0 40 GFAB CCOc1ccccc1OS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 27940122 JSOPLZRDZQHACO-UHFFFAOYSA-N 390.866 2.910 0 40 GFAB NC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCCC2 3317795 SMJSMYSHBSOHKS-UHFFFAOYSA-N 382.445 2.687 0 40 GFAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)o1 10825794 CXMAOPUQDJTUIQ-UHFFFAOYSA-N 387.465 2.571 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2NC1=O 10843253 YHDIZGIUMFTLPP-LBPRGKRZSA-N 391.493 2.812 0 40 GFAB CC(C)Cc1nc2oc3c(N(CCO)CCO)ncnc3c2c2c1CCCC2 2355006 MGSHYKINVJYXIT-UHFFFAOYSA-N 384.480 2.639 0 40 GFAB COC(=O)c1sccc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 3349359 JRANBUBXAAJMSL-CQSZACIVSA-N 386.429 2.794 0 40 GFAB Cc1nc2sc3c(NCCOCCO)ncnc3c2c2c1COC(C)(C)C2 2400593 VLWBUPOBQLKXCV-UHFFFAOYSA-N 388.493 2.820 0 40 GFAB O=C(CNC(=O)c1cc(Cl)ccn1)N[C@H]1CCSc2c(F)cccc21 12796868 KPZXGWOGLIGVQY-ZDUSSCGKSA-N 379.844 2.957 0 40 GFAB NC(=O)Cc1nc2ccccc2n1C[C@H](O)COc1cc(Cl)ccc1Cl 12741827 HRNKLYYUWXFNJJ-LBPRGKRZSA-N 394.258 2.811 0 40 GFAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c1 12766651 KKQNRDSREFNMOS-UHFFFAOYSA-N 393.447 2.534 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCC1 12773936 YPXDYEZGWXWMPB-UHFFFAOYSA-N 394.474 2.572 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)C[C@H](C)O1 3485838 AXEXWHZDQAYIER-RYUDHWBXSA-N 380.901 2.863 0 40 GFAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2cccnc2)c(C)c1 3430151 ZVHSPNWTTYDERR-CYBMUJFWSA-N 396.476 2.622 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1C 3553124 UTTMFJXIXTZTLC-UHFFFAOYSA-N 386.429 2.858 0 40 GFAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 9336808 KMDYGNJKMDLWQJ-LJQANCHMSA-N 398.459 2.624 0 40 GFAB O=C(NCc1csc(-c2ccccc2)n1)[C@H](Cc1ccccc1)n1cnnn1 25583418 CWVHEMPWZWQUGG-SFHVURJKSA-N 390.472 2.897 0 40 GFAB C[C@H](Sc1nn2c(=O)c(C(C)(C)C)nnc2s1)C(=O)N1CCCCCC1 9366582 HQJCYUZPRYXGNS-NSHDSACASA-N 395.554 2.727 0 40 GFAB CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 49551541 JXDKFSQAIGNPCH-UHFFFAOYSA-N 381.388 2.707 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c1)c1cccs1 64373532 SSVJDASHTDPHIL-INIZCTEOSA-N 398.488 2.630 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl 5031150 MIUCLTBWMRGVTC-MRXNPFEDSA-N 385.247 2.877 0 40 GFAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)c2ccc(Cl)cc2n2nncc12 4569870 MUZRTBXMRRWFQH-UHFFFAOYSA-N 395.850 2.746 0 40 GFAB CCOC(=O)C1CCN(C(=O)/C(=C\c2ccc(F)cc2)n2ccccc2=O)CC1 4690594 OIXXMQPPZMHZKI-XDJHFCHBSA-N 398.434 2.787 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc3c(c2)OCO3)c(C)c1 8882761 GTJZNDFWNKVWFZ-UHFFFAOYSA-N 397.475 2.527 0 40 GFAB CCc1ccc2c(COC(=O)Cc3n[nH]c(=O)c4ccccc34)cc(=O)oc2c1 5754711 CHQNHTXRPAPUOM-UHFFFAOYSA-N 390.395 2.878 0 40 GFAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C 8935367 JGNZJZOWONNYSD-INIZCTEOSA-N 391.493 2.954 0 40 GFAB COC(=O)c1sc(NC(=O)Cc2ccccc2OC)c(C(=O)OC)c1C 5881613 XPLYKLJWDQUVBD-UHFFFAOYSA-N 377.418 2.820 0 40 GFAB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NCc1ccco1 5970729 KDNXUXXSRNPEKB-OAHLLOKOSA-N 399.447 2.772 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c(C)o1 306143414 YBVDNCNYVMOWNM-PMACEKPBSA-N 390.443 2.815 0 40 GFAB CCOc1ccccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)SCC3 67350149 XEZSMMFUDUDOQN-UHFFFAOYSA-N 381.457 2.831 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)n(C)c1 9479373 NFOJTRRKODDVCV-UHFFFAOYSA-N 381.457 2.757 0 40 GFAB O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)OCCCO2 7410035 SWGPXBJUXZPKQF-UHFFFAOYSA-N 389.355 2.567 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(SC)ccc2Cl)NC(=O)N[C@@H]1C 7985976 QBLREQDNUHOSIJ-SECBINFHSA-N 398.868 2.737 0 40 GFAB CC(=O)N(C)C1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC1 68966820 ALWAJUUMISQVSC-UHFFFAOYSA-N 399.516 2.761 0 40 GFAB O=S(=O)(NCC1(N2CCCCC2)CCCCC1)c1ccc2c(c1)OCCO2 8327277 WIUPAAISFARJAK-UHFFFAOYSA-N 394.537 2.925 0 40 GFAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(Cl)cc1 9582637 FXTYLMKEMAWRGP-UHFFFAOYSA-N 390.852 2.967 0 40 GFAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 97604659 OHKZAAULHXXRDD-UHFFFAOYSA-N 386.823 2.848 0 40 GFAB O=C(NC[C@H](O)C(=O)OCc1ccccc1)Nc1ccccc1C(F)(F)F 95462234 MNGDBXMFXUQNCH-HNNXBMFYSA-N 382.338 2.931 0 40 GFAB O=C(O)c1cnn([C@H]2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)c1 95453975 RQYYLTJSOCFBGE-AWEZNQCLSA-N 397.353 2.886 0 40 GFAB CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 79101335 BLQNQYKUFYERBT-QGZVFWFLSA-N 381.480 2.869 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(F)cc2)cc1C 85945176 UREZEQAUZAHWSP-ZCNNSNEGSA-N 379.435 2.978 0 40 GFAB CCOC(=O)c1sc(NC(=O)N2CCN(CC)CC2)c(C(=O)OCC)c1C 24562183 NCWSMDNANJWWLM-UHFFFAOYSA-N 397.497 2.579 0 40 GFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3ccncc3)CC1)C2=O 23652328 FSUZGVWSZGMAGF-UHFFFAOYSA-N 399.539 2.688 0 40 GFAB Cc1cc2oc(=O)cc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c2cc1Cl 23821768 FDOOQOMPEGUFKJ-QGZVFWFLSA-N 390.867 2.578 0 40 GFAB CC(C)NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233376 YBSYNDAAKNGNPA-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB CCOC[C@@H]1CN(C(=O)NCc2nc(-c3ccccc3F)cs2)CCO1 527884557 GLBSOUZRXYRSGJ-ZDUSSCGKSA-N 379.457 2.896 0 40 GFAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc2c(c1)Cc1ccccc1-2 32865590 QGPFOENXOVLMPR-UHFFFAOYSA-N 389.440 2.700 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38729108 NAAIVVBNRDFEPH-ROUUACIJSA-N 382.435 2.679 0 40 GFAB Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c2cnn(C3CCCC3)c2n1 1565524715 MEPRDUAPVOHFCC-AWEZNQCLSA-N 383.496 2.984 0 40 GFAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 39995498 AZBBXADHJYTGKR-XJKSGUPXSA-N 388.514 2.912 0 40 GFAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 72345670 CBNFTOQBIYQEKE-GOSISDBHSA-N 386.496 2.501 0 40 GFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc(=O)[nH]c2ccccc12 225752705 IHQWLGBAVDULCN-UHFFFAOYSA-N 377.448 2.527 0 40 GFAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccn2)CC1 225438604 PCDQJADLNDBWOR-HNNXBMFYSA-N 378.432 2.752 0 40 GFAB biogenic,in-vitro COc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)NCc1ccccc1 226045831 FLIOIDFZLDPLQD-UHFFFAOYSA-N 390.505 2.950 0 40 GFAB COc1ccccc1CN1CCC(OC)(c2nc(-c3cnccn3)no2)CC1 583615986 ZTYOYAUQUIJHOH-UHFFFAOYSA-N 381.436 2.673 0 40 GFAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 96036767 VKOPYHNKXFWKMH-KRWDZBQOSA-N 388.537 2.607 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(CSC2=NCCS2)CC1 90608333 GUWFBGFRXQKBPQ-UHFFFAOYSA-N 391.518 2.669 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@](C)(c2ncc(Cc3ccccc3F)o2)C1 257225213 FFHSSNPILROZHD-GOSISDBHSA-N 381.473 2.564 0 40 GFAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccccc1-c1c(F)cccc1F 666812797 KBGWHPMSTSDKHX-HZPDHXFCSA-N 396.415 2.565 0 40 GFAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 630221339 XXXUUVIVHPPVOB-DFHBCGBQSA-N 398.862 2.564 0 40 GFAB Nc1nc(O)cc([C@H]2CCN(Cc3ccc(OCc4ccccn4)cc3)C2)n1 630383620 VIZITFIGJDQZFX-INIZCTEOSA-N 377.448 2.728 0 40 GFAB C[C@H](CC(F)(F)F)CS(=O)(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 656517644 MOQVXTWBZAVDMF-BNOWGMLFSA-N 379.400 2.705 0 40 GFAB O=C(N[C@H]1CCCC12CCCCC2)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 664591315 NZYHUUVWEOVSHF-GJYPPUQNSA-N 384.542 2.525 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)OCCO)cc1 96338057 PZRXJEZPZQYEAR-NRFANRHFSA-N 389.517 2.902 0 40 GFAB O=C(CN1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2)N1CCCC1 585102227 UOHBYWDTXDDVES-HXUWFJFHSA-N 393.890 2.782 0 40 GFAB CC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cccc(F)c2)C1 585284683 ZAAOSVBDEFTKMS-NRFANRHFSA-N 378.488 2.823 0 40 GFAB CCN1CCC(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 46787842 IKDIUADZHXMAGO-CQSZACIVSA-N 384.446 2.917 0 40 GFAB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 67787456 JZAMUUCGSIFOFQ-OAHLLOKOSA-N 390.443 2.832 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)ccn1 1615161611 ZTWQUUVANQKVJT-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB CC[C@H](C(=O)NCc1ccncc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716372 RRZJQEONRIDXCY-GOSISDBHSA-N 375.494 2.559 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(Cc4cnc(C(C)C)nc4)CC3)ncc2C1 19454018 VDYMHTCTIWYXAA-UHFFFAOYSA-N 394.523 2.674 0 40 GFAB Cc1c(-c2cc(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)on2)cnn1C 19554202 OROAYAGGKNXIAN-SFHVURJKSA-N 394.410 2.776 0 40 GFAB Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c12 19695539 MGVOLBZBSYRBOX-ZDUSSCGKSA-N 396.417 2.708 0 40 GFAB C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 19718310 XIGWRRGKPAZNSB-MRXNPFEDSA-N 376.460 2.747 0 40 GFAB CC(C)OCC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 19746100 DILFATBVIWNBOT-UHFFFAOYSA-N 384.358 2.904 0 40 GFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)c1oc3ccccc3c1CS(C)(=O)=O)C2 608145843 ZADSRDSIKISUIL-GJZGRUSLSA-N 390.505 2.723 0 40 GFAB Nc1cc([C@H]2CCCN(CC3=COCCO3)C2)nc2cc(-c3ccco3)nn12 19342511 ZJQGPTOZLCTZEU-AWEZNQCLSA-N 381.436 2.639 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCC[C@@H](CO)C1)[C@]1(C2)NC(=O)c2ccccc2N1 257260735 LECRRTWKHHPNQY-SWLUKHTDSA-N 397.519 2.595 0 40 GFAB Cc1nc(N2C[C@H]3CCC[C@]3(COc3ncc(F)cn3)C2)c2ccncc2n1 1888910672 MWHRWYYQXCMAQK-JLTOFOAXSA-N 380.427 2.948 0 40 GFAB Cc1nc2ccccc2nc1N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1 1146165041 ASICWJIDMRTZRN-IRXDYDNUSA-N 394.500 2.695 0 40 GFAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 36741192 PPPXMFCBWJAEFD-QHCPKHFHSA-N 397.494 2.980 0 40 GFAB Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)o1 2037985018 VEARZVOKEIPFRP-NRFANRHFSA-N 383.448 2.720 0 40 GFAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)Cc3ccccc3)c2n1 8946768 AIKNWYYLTYYSGQ-UHFFFAOYSA-N 396.520 2.507 0 40 GFAB Cc1nn(CC(=O)Nc2ccccc2F)c(=O)c2c1cnn2-c1ccc(F)cc1 12228256 VLJBEDGKDLNKEW-UHFFFAOYSA-N 395.369 2.808 0 40 GFAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NC(=S)N1 27529820 JTFRAHMNXJXESF-GOSISDBHSA-N 382.441 2.952 0 40 GFAB Cc1ccccc1-c1noc(Cn2nc3ccc(-c4ccccc4)nn3c2=O)n1 49399448 VFDWSXXAAVKPLY-UHFFFAOYSA-N 384.399 2.965 0 40 GFAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncnc3cc(F)ccc23)C1 585606425 YUMRJWJYSOEXOU-UHFFFAOYSA-N 388.406 2.524 0 40 GFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2cnsn2)CC1 618257460 WUFQEEHZKVOFFZ-UHFFFAOYSA-N 377.850 2.563 0 40 GFAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C(N)=O)C1 4281051 XNGSUHKKRBJZAU-UHFFFAOYSA-N 397.500 2.883 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(C)cc1 23873695 PXCGUNMPOADJKU-IBGZPJMESA-N 378.432 2.669 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCCC1 40013198 KSRHUOCEGINBJL-UHFFFAOYSA-N 390.549 2.977 0 40 GFAB Cc1ccc2nc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cn2c1 20722401 PEFQPXBWMZASFE-UHFFFAOYSA-N 386.458 2.908 0 40 GFAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CCOc1cccc(Br)c1 8132121 UMIXJUDPEUAZAV-MRXNPFEDSA-N 389.249 2.991 0 40 GFAB CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc(OC)cc2)c1C 1562647 ALTCILYCKRVTHJ-UHFFFAOYSA-N 375.425 2.815 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(CCc2ccccn2)CC1 41003970 FDCAPRUZHKBAPZ-UHFFFAOYSA-N 385.533 2.509 0 40 GFAB COc1ccc(OC)c(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)c1 21360252 UKUSDTZRHILXAN-UHFFFAOYSA-N 386.452 2.810 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccnc2SC(F)F)c1 32737990 XEYOHLNXEISSAK-UHFFFAOYSA-N 387.433 2.899 0 40 GFAB Cc1ccc(N2C(=O)c3cc(N(C)C)ccc3[P@@]2(=O)N2CCOCC2)cc1 3220733 WNENNMOWZKDAND-HHHXNRCGSA-N 385.404 2.872 0 40 GFAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC3CCCCC3)n2N)cc1 6100653 OMQSYSNYINUHRS-LBPRGKRZSA-N 375.498 2.597 0 40 GFAB C[C@@H]1CCC[C@@H](N2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)[C@@H]1C 6851581 DPNUGJSSHMLGNP-LDMQVWGESA-N 387.358 2.849 0 40 GFAB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)NC1CC1 32904738 VNYIJKWIUUUYMU-ZDUSSCGKSA-N 386.473 2.727 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)NCc1cccc(NC(=O)C2CC2)c1 11966601 XDIBQSURAXEGCX-UHFFFAOYSA-N 396.472 2.513 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCCC1 8080939 JOGSZUSXVAWANL-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB Cn1ccnc1CN1CCC(C(=O)NCc2cccnc2OC2CCCC2)CC1 52874693 VBXSSYOGESGDCQ-UHFFFAOYSA-N 397.523 2.665 0 40 GFAB CNC(=O)c1c(NC(=O)c2nn(C)cc2Br)sc2c1CCCC2 2750042 ZSOBTROBFDRMIU-UHFFFAOYSA-N 397.298 2.735 0 40 GFAB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 102974544 HNSNKMPSOKDMRK-JDIXMUAOSA-N 397.434 2.785 0 40 GFAB Cc1cc(-n2nnc(C(=O)NCc3cccnc3)c2C)ccc1Br 51317932 UFHNNWLPZCUWEB-UHFFFAOYSA-N 386.253 2.972 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)oc3cc4c(cc13)CCC4)CS2 22299583 XOTPCPFXANNOQX-HRAATJIYSA-N 399.468 2.779 0 40 GFAB COC(=O)c1ccc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 22586569 CGJKOXCSLKNUPQ-VMPITWQZSA-N 393.487 2.743 0 40 GFAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(CC2CCCCC2)C3)c(OC)n1 100728423 HDAAURRKEDMYSC-IRXDYDNUSA-N 375.513 2.994 0 40 GFAB Cc1cc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)no1 27973685 REKQJSVEXRSTCY-UHFFFAOYSA-N 379.218 2.513 0 40 GFAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 29513528 RREBGQYFNHNFJC-UHFFFAOYSA-N 391.468 2.550 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(N(C)C)c2)CC1 57425787 ZBBZGRMYQWEHNE-UHFFFAOYSA-N 394.519 2.766 0 40 GFAB O=C(O)c1ccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 1896626 POLYHMGFJSSGDP-PDGQHHTCSA-N 387.420 2.946 0 40 GFAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1986378 IOQZQRMBYOPADV-AEFFLSMTSA-N 380.444 2.914 0 40 GFAB C[C@H](C(=O)NC(C)(C)C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 47944075 PIWFOARVTPXEAY-CYBMUJFWSA-N 385.430 2.766 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(C(=O)NC2CC2)c1 10608810 ZXEZQUSPLSNBMT-UHFFFAOYSA-N 378.384 2.703 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1N1CCCC1=O 10180119 FIZVTSSMXABITL-HNNXBMFYSA-N 392.459 2.989 0 40 GFAB O=C(NCC(=O)N1CCC[C@@H]1c1ccncc1)c1cc(-c2ccccc2)on1 58228381 HHOGDKOCFSDADJ-GOSISDBHSA-N 376.416 2.830 0 40 GFAB CSc1cc2c(cc1NC(=O)Cn1cnc3c(C)cccc3c1=O)OCCO2 58312174 USOWIHWRQOFEME-UHFFFAOYSA-N 397.456 2.837 0 40 GFAB C[C@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 36359357 HMUZHIACPWHYCM-JWUHVXBTSA-N 399.447 2.851 0 40 GFAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccoc3)CC2)C1 306144534 ZICHJTOGLCTLCG-OAQYLSRUSA-N 397.519 2.603 0 40 GFAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N)cc1 2372403 JFVHFGLKYJFYRQ-UHFFFAOYSA-N 386.481 2.829 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2cccc(F)c2)CC1 36448822 IQKOHJIYPQQQTE-UHFFFAOYSA-N 399.466 2.604 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1OC 3317104 HTNOVPDUTONKCT-ZDUSSCGKSA-N 385.416 2.847 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 11228901 VSKCZIRZDAZELB-DHZHZOJOSA-N 398.459 2.911 0 40 GFAB O=C(CSc1nnnn1Cc1ccccc1)c1cccc(N2CCCC2=O)c1 12779148 GUEJRTWXWVTVGQ-UHFFFAOYSA-N 393.472 2.823 0 40 GFAB O=C(c1ccccc1N1CCCC1=O)N1CCN(Cc2ccccc2F)CC1 12846802 NSBMFQYNGSWDOD-UHFFFAOYSA-N 381.451 2.911 0 40 GFAB Cc1ccc2c(COC(=O)Cc3n[nH]c(=O)c4ccccc34)cc(=O)oc2c1C 3430832 KYGROGFQBSJOJN-UHFFFAOYSA-N 390.395 2.932 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 3595963 TUQIQWJTECDISC-VOJFVSQTSA-N 379.844 2.788 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2cc(F)ccc2F)cc1 3571248 CMUNDZQXZLGIOT-UHFFFAOYSA-N 377.376 2.680 0 40 GFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H]1COc2ccccc2O1 13039286 BRBWLSYKAFQBQG-QGZVFWFLSA-N 399.834 2.765 0 40 GFAB CC(=O)Oc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCc2ccco2)cc1 13382102 RJXSHUCRVPTFOI-PDGQHHTCSA-N 394.383 2.885 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 13427493 YYARFUCSCIIGCU-GOSISDBHSA-N 382.416 2.550 0 40 GFAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)ccc1Cl 409049341 WHSVKBQXSXXIDM-GTYSZEQSSA-N 375.808 2.740 0 40 GFAB CC(=O)N[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 4220000 PBMNEPLMOAXBRU-CXAGYDPISA-N 398.415 2.553 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O 4477249 NYULUVHNVRZRGQ-OAQYLSRUSA-N 382.416 2.744 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 5361866 JWAZRUKBSJZVLC-UHFFFAOYSA-N 378.475 2.973 0 40 GFAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1nn(C)c(=O)c2ccccc12 8768166 YOTIDOANGYFEDL-QUCCMNQESA-N 388.471 2.690 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(CN2CCCC2=O)c1 14113276 ABLWLFDEROBTQQ-GOSISDBHSA-N 380.444 2.721 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 6500622 OEMYLOQAWWWWFS-UHFFFAOYSA-N 379.844 2.850 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc3c(c2)OCCO3)cc1 6651242 MFAUJMAIJMELAJ-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB COc1cc(OC)c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1OC 8778634 QFXNCKKDUZXPNN-UHFFFAOYSA-N 395.415 2.929 0 40 GFAB Cc1c(NC(=O)[C@H]2CC(c3ccccc3F)=NO2)c(=O)n(-c2ccccc2)n1C 6738421 DIKLEWDIGUFIQR-GOSISDBHSA-N 394.406 2.755 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3N3CCCN23)cc1 19169567 SCRCIPFKSPGKPH-QRVBRYPASA-N 397.862 2.884 0 40 GFAB O=C(CSc1nnc(-c2ccccc2)c(=O)[nH]1)N1CCCc2ccccc21 9134889 GCNRVBLPEZVIJR-UHFFFAOYSA-N 378.457 2.903 0 40 GFAB Cn1nc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c2ccccc2c1=O 8062695 XSBUAEWLJFGALV-CQSZACIVSA-N 383.473 2.816 0 40 GFAB CCOc1ccc(NC2=N[C@@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 9302589 BVRGXTDIVRHUMR-GOSISDBHSA-N 376.420 2.786 0 40 GFAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1ccc(F)c(F)c1F 96232063 YORJUIHOAOUKRV-AWEZNQCLSA-N 391.349 2.596 0 40 GFAB COc1ccccc1CC(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1 95998210 XRPPYYAXDFOGQT-SFHVURJKSA-N 376.460 2.551 0 40 GFAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408597296 UTIRIMXHRHKWBF-GFCCVEGCSA-N 376.906 2.712 0 40 GFAB CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCN[C@@H](C)C3)c(F)cc2c1=O 34165940 GYZIKBVCDQFOAS-NSHDSACASA-N 391.418 2.589 0 40 GFAB O=C(NC(=S)NNc1ccccc1)c1ccc(I)cc1 408626939 JOKSAYJLWRGXPU-UHFFFAOYSA-N 397.241 2.923 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 32863301 KKGRXJPBPSRVAG-PXNSSMCTSA-N 375.513 2.980 0 40 GFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCCC2)c2cc(Br)ccc21 36356867 HZEDZXWFWGMMSJ-OAHLLOKOSA-N 381.226 2.710 0 40 GFAB Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N(CN3CCOCC3)C2=S)c1 72332322 RKJSZGJJDZRCCN-HXUWFJFHSA-N 395.528 2.830 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 32776634 JBUOYCNJPWDCGH-MRXNPFEDSA-N 375.446 2.900 0 40 GFAB CN1CCN(C(=O)Cc2cc3ccccc3c(O)n2)C[C@H]1Cc1ccccc1 560285225 JVSZFFCTDZVJMO-HXUWFJFHSA-N 375.472 2.868 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 224561362 GAFODYWTZGATNL-UHFFFAOYSA-N 389.521 2.680 0 40 GFAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)NCCOc1ccccc1 46116571 JXUVSURNAXFNRU-UHFFFAOYSA-N 383.469 2.950 0 40 GFAB O=C(c1cscn1)N1CCC2(C1)CN(C1CCN(Cc3ccccc3)CC1)C2 96202447 HVCRQUGREQHYNY-UHFFFAOYSA-N 396.560 2.956 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257339900 ZDPPYKRNJVFAQZ-AWEZNQCLSA-N 383.901 2.905 0 40 GFAB COc1cccc(N(CCCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 250440129 JCXWHSVXEZRYCX-RLFYNMQTSA-N 380.510 2.546 0 40 GFAB CCc1ccc(C(=O)N2CCN(C(=O)c3cn(C)nc3-c3ccco3)CC2)cc1 666162812 NZLLLCIHKZCNOB-UHFFFAOYSA-N 392.459 2.841 0 40 GFAB O=C(C=C1CCC1)N1C[C@@H](Nc2ncnc3scnc23)[C@H](C(F)(F)F)C1 1615057423 STSZTYHWKYHACF-GHMZBOCLSA-N 383.399 2.998 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575615934 HBJXHVXEYLRIKY-WOJBJXKFSA-N 385.485 2.689 0 40 GFAB Cc1ccc2c(c1)C(=O)N[C@@]1(CC[C@H]3CN(C(=O)c4cccnc4C)C[C@H]31)N2 72327523 KXYOAQFBDGFDAS-QXATTWAWSA-N 376.460 2.732 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)cc1 12774315 BMYSCYQBMRMHRD-KRWDZBQOSA-N 399.466 2.684 0 40 GFAB CC[C@H](C(=O)NCc1ccncc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714454 PTTIILLJZALOFL-MRXNPFEDSA-N 381.885 2.596 0 40 GFAB Cc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)c1csnn1 15936083 UZPYRQHHFXSWMT-UHFFFAOYSA-N 380.473 2.852 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)Cc2ccccc2F)CC1 19289023 QBSUHGAIJJVMNI-UHFFFAOYSA-N 393.466 2.508 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCO[C@H](c2nc(-c3ccccc3)no2)C1 19374388 GJFBWMRMUWIQFX-INIZCTEOSA-N 389.408 2.638 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19499809 ROQVCIKIWWOHOQ-JKSUJKDBSA-N 399.539 2.954 0 40 GFAB Cc1c(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cnn1C 19553945 SXRQLPUNKGOUSL-ZDUSSCGKSA-N 393.494 2.756 0 40 GFAB Cc1nn(C)c(C)c1CN(C(=O)c1nnn(-c2ccc(F)cc2)c1C)C1CC1 19577792 PUQARSHALWDHMG-UHFFFAOYSA-N 382.443 2.870 0 40 GFAB Cc1cc(NC(=O)CN2CCC[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)no1 19688741 LXCJBPGRNJSKLA-KRWDZBQOSA-N 392.463 2.840 0 40 GFAB Nc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)[C@H]1CC13CCC3)CC2 19701109 SMOYJUQMYZSTIY-GOSISDBHSA-N 390.487 2.669 0 40 GFAB CSc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)c1 239593112 DPVARAFWFFYVKC-SFHVURJKSA-N 383.473 2.689 0 40 GFAB Cc1nc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)co1 2037840422 MIKXOSIBVOMEHV-FQEVSTJZSA-N 387.411 2.550 0 40 GFAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)on1 2037985083 XJYPTJOKHZKVIA-NRFANRHFSA-N 383.448 2.665 0 40 GFAB COc1c([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc2c(c1OC)OCO2 85411914 YJONAWBPVJVIOK-LBPRGKRZSA-N 397.387 2.744 0 40 GFAB NC1=NC(SCC(=O)Nc2ccccc2)=N[C@@H](c2c[nH]c3ccccc23)N1 13579225 VABAMJAQBDLHMB-KRWDZBQOSA-N 378.461 2.812 0 40 GFAB COc1cnc(O[C@@H]2CCN(c3ncc(Cl)cc3Br)C2)nc1 2087065715 YHEXTIBXVCQPMQ-SNVBAGLBSA-N 385.649 2.954 0 40 GFAB CN([C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1)S(=O)(=O)C1CC1 2087151711 KSQLYZLSAPRVQS-AWEZNQCLSA-N 392.443 2.974 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1OC 5168702 FPIIGJZXCBAQEE-UHFFFAOYSA-N 389.415 2.990 0 40 GFAB COc1ccc(OC)c(-n2c(Cn3ncc4ccccc4c3=O)n[nH]c2=S)c1 6027257 CCLXAYJQFRTDIM-UHFFFAOYSA-N 395.444 2.705 0 40 GFAB COc1cccc(OCC(=O)Nc2ccc3onc(CN4CCOCC4)c3c2)c1 1775970787 RAPYYBCSDNTIHN-UHFFFAOYSA-N 397.431 2.686 0 40 GFAB CC1(C)NN2C(=NC1=O)SC(NC(=O)c1ccccc1)=C2c1ccccc1 28294730 DUWBUBKQEODHJP-UHFFFAOYSA-N 378.457 2.971 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3cc(C4CC4)ncn3)CC2)cc1 211076601 VYPUEZOGTHZKCL-MDWZMJQESA-N 384.505 2.785 0 40 GFAB O=C(NCc1ccccc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575613768 TVDKJRMZZOSGQE-HNNXBMFYSA-N 391.269 2.992 0 40 GFAB Clc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1 13010722 DIUOLFWSFOQVKH-UHFFFAOYSA-N 385.859 2.561 0 40 GFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 21625842 MJBHMCFFOWSNIK-RBZFPXEDSA-N 389.521 2.770 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)C(F)F)cc1 10447240 BSZMTUFZWORCAM-UHFFFAOYSA-N 383.372 2.983 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)c(C)c12 40086817 ULFRPWVLUOUICJ-CYBMUJFWSA-N 392.463 2.565 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 40050897 QEXCPDGLJJENIT-UHFFFAOYSA-N 376.416 2.877 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2cccc(Cn3ccnc3)c2)c1 30656359 MXIXREIOWMHIHB-UHFFFAOYSA-N 376.460 2.594 0 40 GFAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OCc3ccccc3)cc1)CC(O)=N2 20731873 NSVRMRCUGYGFOW-KRWDZBQOSA-N 391.427 2.787 0 40 GFAB COc1cccc(Cn2[nH]cc/c2=N\C(=O)COc2cccc(C)c2)c1OC 101426133 AQOSPONRXDQRKM-FCDQGJHFSA-N 381.432 2.696 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 8628427 WSEPRTWKXMIFNX-CYBMUJFWSA-N 381.480 2.711 0 40 GFAB Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1 6027137 LEQCNWJSNYJQSH-UHFFFAOYSA-N 381.388 2.914 0 40 GFAB CCc1cccc(C)c1NC(=O)CSc1nnc(SCC(N)=O)s1 6107475 XOLCQNGLNKVXLS-UHFFFAOYSA-N 382.536 2.717 0 40 GFAB COc1cccc([C@H]2NC(=S)N3[C@@H](c4cccc(OC)c4)NC(=S)N23)c1 6424672 APZIPCVXHHIXIW-HOTGVXAUSA-N 386.502 2.696 0 40 GFAB O=C(O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c1 6680484 LQJQMNNNJKBLDP-UHFFFAOYSA-N 394.474 2.873 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)cc1 7456938 MPGDERRMSRWMJL-UHFFFAOYSA-N 393.399 2.588 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cl)cc1 8158307 MYLQETKWCRYDCY-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 32957547 YQVSPWXQZCENRJ-MSOLQXFVSA-N 396.487 2.794 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C(C)(C)C)no1 32971642 PPXSUKDJASRFKX-HNNXBMFYSA-N 391.493 2.687 0 40 GFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NS(=O)(=O)c1cccs1 42243111 NTZXYOOWDBVOTM-ONEGZZNKSA-N 385.850 2.691 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)c(C)c1 28207413 XLJUXTIZGNEWOV-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(c4cccs4)NN32)cc1 940763 YJSXKWWZWHQWFN-INIZCTEOSA-N 381.461 2.584 0 40 GFAB COC(=O)[C@H]1CS[C@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)c(Cl)c1 1397735 PEHRYNCHMWUNMS-GHMZBOCLSA-N 393.248 2.615 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cc1ccc2c(c1)OCO2 100141249 VQSBZVNBMAJELG-GDBMZVCRSA-N 376.416 2.597 0 40 GFAB C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 26754576 RMLOMFYSTGIFSC-ZDUSSCGKSA-N 382.432 2.553 0 40 GFAB CCc1noc([C@@H](C)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1 44375858 MFXXKLUVZKVTSH-GFCCVEGCSA-N 380.395 2.752 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)Nc1cnn(Cc2cn3ccccc3n2)c1 58174561 IDNXYJDZYPBSOY-UHFFFAOYSA-N 390.403 2.630 0 40 GFAB CC(C)Cn1nc(C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 44816143 DUAHPXAHJJIULH-OAHLLOKOSA-N 393.443 2.622 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2cccc(F)c2)n2nnnc2N3)cc1 10295410 DIIGBHKCBYCWBH-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB Cc1nc(CN2CCN(C(=O)Nc3ccc4c(c3)OCCCO4)CC2)cs1 58282636 FLKUVBJDFOOHFX-UHFFFAOYSA-N 388.493 2.963 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1OC 113967167 XRVZGXRLZPNQCO-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccccc1N1CCCC1 28009778 NDUBZOJALWFWPF-IEZWGBDMSA-N 388.537 2.951 0 40 GFAB CN(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2C1=O 10630872 GQYSGMAZGJJGRP-UHFFFAOYSA-N 387.233 2.704 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 306126744 FDULWWGQZVCOBF-LSDHHAIUSA-N 381.411 2.567 0 40 GFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)c1 12819247 MTBSQRHWMDMOQW-UHFFFAOYSA-N 384.461 2.618 0 40 GFAB CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)OCC)CC1 8714731 QFQSXRLUKYNBTI-UHFFFAOYSA-N 384.498 2.555 0 40 GFAB CN(CC(=O)Nc1cc2c(cc1Cl)OCO2)C[C@H]1COc2ccccc2O1 12945905 MUEMGQWZPJUWEY-LBPRGKRZSA-N 390.823 2.779 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1F 3600894 OKGJUJCSIIUJGL-NRFANRHFSA-N 381.407 2.856 0 40 GFAB O=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13006252 UKMKVSIKBWJYKI-QAPCUYQASA-N 378.428 2.614 0 40 GFAB COc1cc(CN2CCCC[C@@H]2c2ncc[nH]2)cc(Cl)c1OCC(N)=O 92728913 IESILMATYRGLMF-CQSZACIVSA-N 378.860 2.663 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cccs1 5199800 PPQKAVHMOFEMDZ-CMDGGOBGSA-N 385.489 2.695 0 40 GFAB Cn1c(CCC(N)=O)nnc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1 14015192 VOROEGULNLPGQP-SFHVURJKSA-N 395.488 2.705 0 40 GFAB O=C(NC1(c2ccc(Br)cc2)CC1)c1cnc2sccn2c1=O 65873692 LOZPUOCJAGWPKK-UHFFFAOYSA-N 390.262 2.938 0 40 GFAB O=S(=O)(Nc1nc(CN2CCCCC2)cs1)c1ccc2c(c1)CCO2 66248630 RHZBORKPCCNQQK-UHFFFAOYSA-N 379.507 2.865 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)C13CC4CC(CC(C4)C1)C3)CS2 5875790 KEXVIZUUVIJBSQ-BUKGGLNISA-N 377.506 2.769 0 40 GFAB COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 9236427 VMFPANLEKBVJOC-IAGOWNOFSA-N 381.461 2.993 0 40 GFAB COc1ccc(OC)c(COC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1 7317333 IKQZCFWFMFPOOG-UHFFFAOYSA-N 378.446 2.919 0 40 GFAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccccc3F)c2)C1=O 15858646 ZWCJKBPWRCEFLI-UHFFFAOYSA-N 376.409 2.781 0 40 GFAB CCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(OC)ccc2OC)C1=O 8471770 WBINZTXJEJJVAO-FQEVSTJZSA-N 391.468 2.923 0 40 GFAB Cc1cccc2nc(CNC(=O)C(=O)Nc3c(F)c(F)c(F)c(F)c3F)cn12 69564542 ATWKEWJGRXIQSW-UHFFFAOYSA-N 398.291 2.593 0 40 GFAB CC(C)(C)c1ccc(O)c(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 17361157 JBPQCUVBBCYILO-UHFFFAOYSA-N 381.432 2.722 0 40 GFAB CCN(CC)C(=O)CN1CCCN(C(=O)/C=C(\C)CCc2ccccc2)CC1 97288926 SOTBWXVBQQAMCP-CZIZESTLSA-N 385.552 2.968 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(O)=Nc2nnc(-c3cccs3)n21 72402980 CEOLJEDLGXWBMH-LBPRGKRZSA-N 397.416 2.965 0 40 GFAB CCOC(=O)CN(CC1CC1)c1ncnc2sc(C(=O)OCC)c(C)c12 84793470 XUUPAPYKRNJIKT-UHFFFAOYSA-N 377.466 2.956 0 40 GFAB C[C@](NC(=O)CCCc1nc(C2CC2)no1)(C(=O)O)c1cc(F)ccc1F 95424522 IMWHOKWARRDYBS-GOSISDBHSA-N 379.363 2.664 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1cnn(C)c1 95999263 YETOEGTYHMPKAQ-LJQANCHMSA-N 394.479 2.887 0 40 GFAB Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)n1 306138724 SFUASXMBNIUGOK-DLBZAZTESA-N 388.475 2.538 0 40 GFAB COC(=O)c1ccc([C@H]2CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CN2)cc1 306145484 GPNXCGBLAHTCQJ-UZLBHIALSA-N 376.453 2.514 0 40 GFAB Cc1ccc([C@H]2C[C@H](C)N(C(=O)CCCn3cnc4c(N)ncnc43)C2)cc1 1520127415 TUZDHYCPXBIECQ-RDJZCZTQSA-N 378.480 2.902 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@H]1C2 306133255 MGUDTYBXZFRPQL-CABCVRRESA-N 379.489 2.896 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)C2CCCCC2)cc1OC 409003145 DWLWWNVSFXDBNS-UHFFFAOYSA-N 398.525 2.552 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4cccs4)C3)ncn2)n1 70656050 RWBIBCYMPCGNCC-INIZCTEOSA-N 396.520 2.873 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 35898154 KHYKJAGXWMEGEX-JFRXWTBNSA-N 388.895 2.897 0 40 GFAB COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)Cn4cccn4)C3)n2)c1 72363102 SHLMKLPFRDUSDS-MRXNPFEDSA-N 393.447 2.880 0 40 GFAB CCOC(=O)[C@@H]1C[C@@]2(C)[C@H](O)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 212416034 ZJRZYKZLCWIHRO-JRBPQWBISA-N 395.521 2.631 0 40 GFAB CN(C)c1ccc(-c2nnc([C@H]3CCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 49170895 WBHCFHWKWWCXPK-INIZCTEOSA-N 398.488 2.981 0 40 GFAB biogenic,in-vitro O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(Cl)c(Cl)c1 224202925 LTCKOCVNTRVORU-UHFFFAOYSA-N 387.292 2.862 0 40 GFAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224799890 WDQNEOXHDJFBDF-UHFFFAOYSA-N 381.450 2.936 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 223861641 ARIGKQRKOVERCK-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCN3CCCCC3)ccc21 225727849 CCFSFGRDLDXQMN-UHFFFAOYSA-N 397.566 2.627 0 40 GFAB Cc1cc([C@H]2CCCN2CCc2cn(CC(=O)O)nn2)ccc1Br 574578140 LLXOOHAIONEQMN-MRXNPFEDSA-N 393.285 2.813 0 40 GFAB CCc1nn2c(CC(=O)OC)c(C(=O)OC)nnc2c1-c1cccc(Cl)c1 40385013 YPWHFUUJYSPOOH-UHFFFAOYSA-N 388.811 2.509 0 40 GFAB CC[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 225737696 OAMMQPYTEKSWSQ-LJQANCHMSA-N 390.505 2.724 0 40 GFAB O=S(=O)(Cc1cc(F)cc(F)c1)NC[C@](O)(c1ccco1)c1cccs1 225590262 DARRQGJDJCBJMS-KRWDZBQOSA-N 399.440 2.975 0 40 GFAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223284040 IKYWKCLEUYLIGX-LLVKDONJSA-N 382.511 2.871 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)Nc1cccc(F)c1)C2 96238160 MFLDHQRFSPYPAM-IBGZPJMESA-N 388.468 2.842 0 40 GFAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c1 579779362 RVUGOFIYBAMAGP-UHFFFAOYSA-N 398.488 2.958 0 40 GFAB CN(C)S(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 247912974 AJPVDXORJPDLSE-WHOFXGATSA-N 378.416 2.744 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230741 XWKQYSFFCKQMDI-VDVULAQNSA-N 396.418 2.516 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)ccc1F 585079886 XMZYCVWAOWAPCT-ZDUSSCGKSA-N 397.399 2.895 0 40 GFAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 260828233 NASRVTBIMKNKPR-SECBINFHSA-N 387.914 2.992 0 40 GFAB O=C(N[C@@H]1CCC1(F)F)[C@H]1CCC[C@@]12CCN(C(=O)Cc1ccccn1)C2 585107319 PRUVZRLXUYEGGA-MDZRGWNJSA-N 377.435 2.557 0 40 GFAB Cc1c(S(=O)(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cnn1C(F)F 585285719 MCICOCXMFVJAEJ-BLLLJJGKSA-N 377.457 2.945 0 40 GFAB Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cn1 681286697 CKHQBJLJIZVZPI-LBPRGKRZSA-N 389.399 2.887 0 40 GFAB CCc1nn(CC(=O)NCCc2cccc(F)c2)c(=O)c2cc3ccsc3n12 12114325 GMEVNEWQYLTSBM-UHFFFAOYSA-N 398.463 2.771 0 40 GFAB CO[C@H](C(=O)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1)c1ccccc1 12144710 JZOGVKVGHGCHKV-IBGZPJMESA-N 375.428 2.709 0 40 GFAB COc1ccc(CC(=O)NCC2CCN(c3nc(C)cc(C)n3)CC2)cc1OC 12183149 KKUWETDACQOGMR-UHFFFAOYSA-N 398.507 2.686 0 40 GFAB COc1nc(-c2ccccc2)nc(C)c1CC(=O)N(C)CCN1CCCCC1 12360866 BZRUZFAUYHVQMY-UHFFFAOYSA-N 382.508 2.947 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1Cl 13027564 JBEYQSNWSNQREM-UHFFFAOYSA-N 385.781 2.546 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 14225215 UNCBWJYXAILGRY-UHFFFAOYSA-N 394.518 2.889 0 40 GFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2C(=O)CN(C)C)cc1 19581735 SMXABMFKUMWJRQ-HNAYVOBHSA-N 391.475 2.555 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](CC)Sc1nc2c(=O)[nH]cnc2n1C 19625795 DFIBVWPLRARQTI-ZDUSSCGKSA-N 387.465 2.565 0 40 GFAB biogenic,in-vitro CCOCc1ccc(C(=O)N2CCc3nnc([C@@H]4CCCCN4C)n3CC2)cc1 19706401 VBXAKXGIXCKEPB-IBGZPJMESA-N 397.523 2.670 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1nnc2n1CCCCC2 19714442 UBHJHTLUPKBTJY-UHFFFAOYSA-N 390.871 2.678 0 40 GFAB Cc1nc(NC(=O)CN2CCC[C@@](O)(Cn3cnc4ccccc43)C2)sc1C 12135451 VXJUVOMZCAGKDI-FQEVSTJZSA-N 399.520 2.575 0 40 GFAB CCc1nc(O)c2nnn([C@@H]3CCCN(C(=O)[C@@H](C)c4ccc(C)cc4)C3)c2n1 12119485 OSDAJFAFCITAQG-GOEBONIOSA-N 394.479 2.765 0 40 GFAB CSc1ccc(Cl)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 6650660 RNAGUIRIQVGPRU-UHFFFAOYSA-N 384.910 2.682 0 40 GFAB Cc1ccc(OCC2CCN(C(=O)C[C@H]3COc4ccccc4O3)CC2)nn1 1888870154 JSNFMUJWULYYEZ-KRWDZBQOSA-N 383.448 2.633 0 40 GFAB Cc1cccc(C(=O)NCc2noc([C@@H]3CCC(=O)N3Cc3ccncc3)n2)c1 1775963806 DNSRJNIOCXYFBW-KRWDZBQOSA-N 391.431 2.567 0 40 GFAB biogenic,in-vitro CC(C)(C)OC(=O)NCCCNC(=O)c1ccnc(O[C@H]2CCSC2)c1 240122571 WDEKOHTUSQRRSZ-AWEZNQCLSA-N 381.498 2.611 0 40 GFAB Cc1cnc(Nc2cccc([C@@H]3CN(CC(=O)NC(C)(C)C)CCO3)n2)s1 2037834662 APTXVGULDMDMBM-HNNXBMFYSA-N 389.525 2.878 0 40 GFAB Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCC3(F)F)cs1 1565555701 OFRWZJAUFLUBEW-RHSMWYFYSA-N 385.480 2.548 0 40 GFAB O=C1C=CC(=O)N1c1ccc(Sc2ccc(N3C(=O)C=CC3=O)cc2)cc1 823759 ZXZWXBTZYQSCRW-UHFFFAOYSA-N 376.393 2.697 0 40 GFAB COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)c(O)n1 4317331 FFOMMEHLEJTDOI-UHFFFAOYSA-N 382.445 2.907 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccco1 4537759 CLRYYCOXSZOZIR-UHFFFAOYSA-N 381.364 2.584 0 40 GFAB COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)cc1 5168504 LYNYBAUJIHGYPM-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCCC4)ccn3n2)cc1 9321227 DIKHFCWEVSZWEO-UHFFFAOYSA-N 380.448 2.621 0 40 GFAB COc1ccc(-c2cnc([S@@](=O)CC(=O)Nc3ccc(F)cc3)n2C)cc1 9828756 KDWLROHVCMOHTI-HHHXNRCGSA-N 387.436 2.981 0 40 GFAB Brc1cn(-c2csc(N3CCOCC3)n2)c(Br)n1 1776011305 AZLNRGRZOLVWRX-UHFFFAOYSA-N 394.092 2.690 0 40 GFAB COc1cccc(/C=C/C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1 575617345 NYHUIVJXOCQDKM-BQYQJAHWSA-N 390.443 2.677 0 40 GFAB CCC(Nc1ccc(Cc2ccncc2)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 17250662 PSOUUQQFIZYIAX-UHFFFAOYSA-N 378.432 2.799 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)cc1)CS2 40040136 GPZNGKCMCNPXJM-CJNGLKHVSA-N 388.411 2.698 0 40 GFAB COc1ccc([C@H]2N=C3NCN(C(C)C)CN3c3nc4ccccc4n32)cc1 20101424 LDOPZEVSAVSEEI-IBGZPJMESA-N 376.464 2.996 0 40 GFAB COc1ccc(C2=C[C@@H](c3ccc(OC)c(OC)c3)n3nnnc3N2)c(OC)c1 101030398 AADORYZVGJDNSZ-INIZCTEOSA-N 395.419 2.764 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSc2nnc3ccccn23)n1 8487890 GXICRUWIVRBHRZ-UHFFFAOYSA-N 380.437 2.541 0 40 GFAB CCN(CC)CCOC(=O)C(O)(c1ccccc1OC)c1ccccc1OC 1710832 MAIYPMKEVOCXDV-UHFFFAOYSA-N 387.476 2.825 0 40 GFAB O=C(/N=c1\sccn1Cc1ccccc1)c1cccnc1N1CCOCC1 21448861 ATBQJOMGZFNKEM-XDOYNYLZSA-N 380.473 2.571 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)ccc1C 32879860 REROBJGVWKOYJT-INIZCTEOSA-N 376.503 2.867 0 40 GFAB CCn1nnc2cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)ccc21 6847473 PBTAQNHSELMEPT-UHFFFAOYSA-N 378.841 2.760 0 40 GFAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1c(F)cccc1Cl 102624884 NIVDCOBGQXXLOZ-SRABZTEZSA-N 389.814 2.699 0 40 GFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 7871821 CNTHEBQSNQYJLG-OAHLLOKOSA-N 376.478 2.508 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCNC(=O)C1CCCC1)c1ccccc1Cl 33018089 ZTGQXRAKTMYVNW-MRXNPFEDSA-N 380.872 2.757 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 10008802 AJEKAINLOCRGTK-UHFFFAOYSA-N 384.841 2.518 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10361277 SBDCFKRCQBUSDY-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB COc1cccc([C@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N2CCCC2)c1 41596625 DSMLBKXJXZRPKZ-NRFANRHFSA-N 399.535 2.597 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2sccc2C)n(C)c1 53282428 CTLYIRSTVKYBIJ-UHFFFAOYSA-N 383.539 2.698 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2ccccc2)CC1 22436302 XRWSVSDBDLCIAB-UHFFFAOYSA-N 394.519 2.551 0 40 GFAB CCCN(CC1CC1)C(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 23642084 SMUYCQDHDCQBHP-MRXNPFEDSA-N 395.887 2.631 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 1088061 IIYSHQJDIJQHLK-HZPDHXFCSA-N 382.482 2.547 0 40 GFAB COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n2)c1 23873184 KJQGODXJNWJJFY-FQEVSTJZSA-N 378.388 2.712 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(CN(C)C)cc1 24067622 YUHPNYKTCHXCKX-QGZVFWFLSA-N 389.521 2.509 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCCN(C)c2ccccc2)C1=O 12543159 YVWWVINYBOFTCU-KRWDZBQOSA-N 381.476 2.833 0 40 GFAB C[C@@H](C(=O)N1CCCc2ccccc21)N(C)C1CCN(CCn2cccn2)CC1 106130810 NOGSKFYPUVIHNF-IBGZPJMESA-N 395.551 2.647 0 40 GFAB C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1)[C@H]1C[C@@H]2CC[C@@H]1C2 102819352 ZARGVBGIFOXWHK-FXLRECSGSA-N 390.524 2.909 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3Cc2[nH]c3ccccc3c2C)n1 100737818 WWZZKLSNTFSEKT-ROUUACIJSA-N 392.503 2.900 0 40 GFAB O=C1COc2cc(C(=O)OCc3cc(Cl)c4c(c3)OCCO4)ccc2N1 26222737 HFDKSYSQDBWDCG-UHFFFAOYSA-N 375.764 2.799 0 40 GFAB O=C(Cn1cc(Br)ccc1=O)NCc1nc2ccccc2s1 44118646 DCHHRRNMPNMVFY-UHFFFAOYSA-N 378.251 2.537 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21 57494316 VVDCKIKOWKRECK-LBPRGKRZSA-N 389.452 2.576 0 40 GFAB CC(C)c1ccc2nc(CCN3C(=O)NC4(CCCCC4)C3=O)[nH]c(=O)c2c1 57771988 TUAAUTVKARBQKK-UHFFFAOYSA-N 382.464 2.844 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@H](c1ccccc1)c1n[nH]c(C)n1)c1ccc(C)cc1 57890335 IPBGBBMJVHXWGW-TZIWHRDSSA-N 391.475 2.895 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100446800 ZLVLCDILEFVYCR-JUXOCIIHSA-N 380.444 2.667 0 40 GFAB CCS(=O)(=O)N(C)CCCNCc1c[nH]nc1-c1cc2ccccc2o1 58264644 MGZKPKDEZSYCHJ-UHFFFAOYSA-N 376.482 2.584 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccco1 2396028 RKKMLFNOJVISQY-UHFFFAOYSA-N 394.254 2.745 0 40 GFAB COCCn1c(SCC(=O)NC(C)C)nc2sc3c(c2c1=O)CCCC3 3456974 SGSSQKNADJIAQU-UHFFFAOYSA-N 395.550 2.600 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)cc1F 3594927 HQUFNMNDZORXJV-LJQANCHMSA-N 387.798 2.811 0 40 GFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 13000129 HHMJTYYMTAOTEQ-ZDUSSCGKSA-N 388.427 2.695 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1 4089422 VLJWLWBUMJLYIC-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB biogenic Cc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 4165965 LTMFOWICHXRIJD-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](c2cccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 4269868 BDOPAXJBLZPCLB-JJRVBVJISA-N 398.406 2.789 0 40 GFAB C[C@H]1CN(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)C[C@H](C)O1 14198131 UKVCYQGSADUMDJ-KBPBESRZSA-N 395.550 2.830 0 40 GFAB COCCN1CCn2c(nc3cc(NC(=O)c4ccccc4OC)ccc32)C1 19873950 QNQCAMWLZKRGBJ-UHFFFAOYSA-N 380.448 2.759 0 40 GFAB Cc1ccc(Cn2nccc2NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cc1 14226408 RJYOXSMBLZZIFT-MRXNPFEDSA-N 390.443 2.992 0 40 GFAB CCOC(=O)CCCNC(=O)CN1CCC(c2nc3ccccc3s2)CC1 6552190 PJEPNVNQLJLVEY-UHFFFAOYSA-N 389.521 2.935 0 40 GFAB CC[C@@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1 6870802 VKUPNTSSCVAYEK-OAQYLSRUSA-N 394.519 2.540 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1 71769067 OHBNDYGJGAIKLT-UHFFFAOYSA-N 396.422 2.790 0 40 GFAB Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc(S(=O)(=O)N(C)C)c1C 67091326 VTZBTGKMXAUFII-ZWKOTPCHSA-N 390.480 2.979 0 40 GFAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(=O)NC(C)(C)C 7042298 HFCKXUVVYCPSCR-NSHDSACASA-N 388.493 2.836 0 40 GFAB CCN(CCNC(=O)CSc1nnnn1-c1ccccc1)c1cccc(C)c1 7339979 OVQDLZGOASDFGK-UHFFFAOYSA-N 396.520 2.706 0 40 GFAB O=C(Cc1cccs1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7719183 XLOCBFLRKROEMQ-CQSZACIVSA-N 383.473 2.735 0 40 GFAB Cc1cc(=O)c(C(=O)NCc2ccc(CN(C)C)cc2)nn1-c1ccccc1F 16504009 ONFKSUFILWJTTK-UHFFFAOYSA-N 394.450 2.672 0 40 GFAB CSCc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 8191553 RPZNGTXHZJDIMS-UHFFFAOYSA-N 396.559 2.758 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 16821387 WYSKYISSCKVOHS-GJZGRUSLSA-N 382.416 2.679 0 40 GFAB CC(=O)N1CCCCC[C@@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 71889288 OZMGHVLMYYTCNX-OAQYLSRUSA-N 392.565 2.963 0 40 GFAB CSCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 84180822 QAUFDZWIBFPBSA-UHFFFAOYSA-N 384.567 2.526 0 40 GFAB COc1cc(C(=O)OC2(C)CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 79024102 LNKGGPCSFVMKNW-UHFFFAOYSA-N 381.425 2.879 0 40 GFAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1 409057408 PLQWVFWKJUXVCQ-UGYRXPJGSA-O 388.422 2.842 0 40 GFAB COc1ccccc1CN[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 89499612 WGKSYFLLYUAMRF-OAHLLOKOSA-N 394.475 2.610 0 40 GFAB CC(=O)[C@H]1CC(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)=NN1c1ccccc1 89522663 OHAFJLOJFIBFHZ-RTBURBONSA-N 379.464 2.914 0 40 GFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc(-n2cccn2)nc1 170593201 HGXBWRFSIQFZDP-LJQANCHMSA-N 375.432 2.742 0 40 GFAB O=C(NCc1nc(-c2cccs2)no1)c1cccc(CN2CCOCC2)c1 110669053 WNYQAJVRBHYAEA-UHFFFAOYSA-N 384.461 2.560 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306126117 DNJNQQAEURDHAD-NRFANRHFSA-N 392.484 2.863 0 40 GFAB COc1cccc(C2(NCc3ccc4c(c3)NC(=O)CO4)CCOCC2)c1F 513285976 HEVAWLFWTRFSOU-UHFFFAOYSA-N 386.423 2.961 0 40 GFAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCC2 56997479 CQHLJQWHMNMNRX-UHFFFAOYSA-N 399.560 2.666 0 40 GFAB COc1ccc([C@H](NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C2CC2)cc1 35316722 UCLOYTNDYAJVRH-LJQANCHMSA-N 399.491 2.859 0 40 GFAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)C2)n1 79487298 UMFMGTMKVGWPIQ-SFHVURJKSA-N 391.479 2.588 0 40 GFAB COc1ccc(CNC(=O)c2cn(-c3ccccc3Br)nn2)cc1 31874007 UJOUUCIQKJOBHO-UHFFFAOYSA-N 387.237 2.968 0 40 GFAB CCCn1c(SCc2nc(-c3cnccn3)no2)nc2ccccc2c1=O 669560148 GWURBHXVUPOPTH-UHFFFAOYSA-N 380.433 2.939 0 40 GFAB Cc1noc(C(C)(C)NS(=O)(=O)c2cc(C(=O)O)sc2C(C)(C)C)n1 565836433 CLQJWZSZQOLSDK-UHFFFAOYSA-N 387.483 2.649 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1OC 224222562 ZLBVXNGXQWTYIC-UHFFFAOYSA-N 396.896 2.619 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 226401102 FMKSDXUBMCDTLT-FWXGHANASA-N 390.361 2.593 0 40 GFAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccc2c(c1)OCCO2 224143599 POTZDVNVNBYILZ-UHFFFAOYSA-N 384.440 2.558 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)c2ccc(Cl)s2)cc1 225706824 XYJJYHUVXBMIHH-LBPRGKRZSA-N 389.882 2.854 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(O[C@H]3CCSC3)nc2)cc1 225716122 GDJOSTZQMJMOTP-AWEZNQCLSA-N 378.475 2.622 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 48066150 UGXHXRINMZBNFI-BJMVGYQFSA-N 385.464 2.785 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)CC1 41096587 NYMAMUVJEHCNOD-UHFFFAOYSA-N 382.869 2.956 0 40 GFAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc3ccccc3oc2=O)n1 77101090 JPSNKAIILXBELH-UHFFFAOYSA-N 377.322 2.883 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 222393551 REYOOJZOFGMIMG-KRWDZBQOSA-N 396.487 2.862 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)c1ccccc1 225243500 QCNMDMHKDATLTB-UHFFFAOYSA-N 376.478 2.541 0 40 GFAB CCc1cnc(CNC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)s1 577724259 XZBYGESCDLZIEN-BETUJISGSA-N 381.404 2.718 0 40 GFAB CCN1CC2(CCN(Cc3nnc(-c4cccc(OC)c4)o3)CC2)[C@H]2COC[C@H]21 1615546877 CNNZSCUHXSKPBV-RBUKOAKNSA-N 398.507 2.678 0 40 GFAB C[C@@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[C@]1(C)CO 664213925 SHLITAFKRZMDIT-MEBBXXQBSA-N 395.809 2.793 0 40 GFAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H](c4ccnc(N)n4)C3)cs2)n1C 671825577 LHCPTOLYMPWRBY-ZDUSSCGKSA-N 382.493 2.849 0 40 GFAB O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)N1CC2(CCCOC2)C1 672878043 ICISAZYPVWUCML-AWEZNQCLSA-N 381.423 2.689 0 40 GFAB CC(C)Sc1ccc(CC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 390830083 IPCRRCNIRDPRFJ-MRXNPFEDSA-N 396.520 2.562 0 40 GFAB CCCCn1c(SCCCS(=O)(=O)N(C)C)nc2ccccc2c1=O 57743465 YLUYNTYUWATYLV-UHFFFAOYSA-N 383.539 2.570 0 40 GFAB CC(C)(C)c1cc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)[nH]n1 585612695 MZWRAPXTJBABHI-GASCZTMLSA-N 380.496 2.583 0 40 GFAB COc1ccccc1[C@@H]1CN(C2CCN(C(C)=O)CC2)C[C@]12CCCCC(=O)N2 1615153408 DYDSKUPCVAEPRI-NZQKXSOJSA-N 399.535 2.534 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 229805745 GMTQUPLCNPNNBD-OKYOBFRVSA-N 378.403 2.661 0 40 GFAB Cc1cccc(OC[C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 1775970969 KZVWWQJOXAQYMP-INIZCTEOSA-N 381.432 2.616 0 40 GFAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCn2nc(C)nc2C)cc1 12145698 HJUHHSGTQMHALA-LJQANCHMSA-N 394.479 2.673 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12156078 ZKLCKEYQGHLRMX-UHFFFAOYSA-N 395.394 2.685 0 40 GFAB CCOc1ccc(C(=O)Nc2ccc(C(=O)Nn3cnnc3)cc2)cc1OCC 14405720 DNBBZNQKKVNKOY-UHFFFAOYSA-N 395.419 2.712 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)Cn1cccn1 19017505 AWQFWMABWMJHCN-VWPQPMDRSA-N 398.482 2.808 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H](C)Cn3ccc(C)n3)CC1)CC2=O 19237922 COGWOVHTEWXRQE-OAHLLOKOSA-N 397.475 2.863 0 40 GFAB Cc1nccn1CCC(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 19288059 AVLWEOOUUBKIGO-XMSQKQJNSA-N 396.491 2.603 0 40 GFAB CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19498822 XDHPUJVNJSWYBV-SFHVURJKSA-N 383.496 2.667 0 40 GFAB Cc1oc2c(c1C(=O)N1CC[C@H](c3nc(-c4ncccn4)no3)C1)CCCC2 19581188 FHSANNLAIQICEI-ZDUSSCGKSA-N 379.420 2.937 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 19590300 MRFOENXOCOYZLU-LJQANCHMSA-N 396.491 2.849 0 40 GFAB COc1ccc(S(=O)(=O)Oc2ccc(CCC(C)=O)cc2)cc1NC(C)=O 19681939 KMBPFXCOQNKMQN-UHFFFAOYSA-N 391.445 2.943 0 40 GFAB CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCN(C(=O)CC4CCCC4)C3)c2)CC1 19705298 GTVMWLKPLVPLGD-HXUWFJFHSA-N 398.551 2.955 0 40 GFAB C[C@@H](CN(C)C(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O)c1ccccc1 19746294 LGQNQPFINGGBCU-KRWDZBQOSA-N 395.503 2.783 0 40 GFAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)c1 19747513 NFQKMWINVAOFOS-NRFANRHFSA-N 383.536 2.767 0 40 GFAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc(Cl)c1O 6326228 KWXZQTIEBCPJRB-MLPAPPSSSA-N 398.868 2.863 0 40 GFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 7495350 CSCSTRNGHPSFDQ-SFQUDFHCSA-N 393.399 2.580 0 40 GFAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C3CCOCC3)CC2)nn1C 100687592 HJLGHZBBCJXSRH-HDICACEKSA-N 376.545 2.783 0 40 GFAB COc1ccc2cnc([C@@H]3CCCN(C(=O)[C@H]4CC(=O)N(C)C4)C3)cc2c1C 19582611 OZMYIKOPDXLNBX-SJORKVTESA-N 381.476 2.736 0 40 GFAB O=C1CN(C(=O)CN2CCC[C@H](COc3ccc(F)cc3)C2)c2ccccc2N1 19658135 YBTUVWSCTSRMOZ-INIZCTEOSA-N 397.450 2.902 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Cc3nc4cc(Cl)ccc4[nH]3)CC2=O)cc1 19718987 BPOQBBDEQITOPK-CYBMUJFWSA-N 398.850 2.689 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3 19796013 JZUTXVTYJDCMDU-OALUTQOASA-N 383.400 2.873 0 40 GFAB biogenic,in-vitro Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n1 1889128419 GPFWVZGZPSECQY-UHFFFAOYSA-N 387.915 2.597 0 40 GFAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCN1CCc2ccccc2C1 31337834 NMWNEGAHHKPPAR-HNNXBMFYSA-N 385.895 2.633 0 40 GFAB Cn1ccnc1-c1cncc([C@@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 2037846049 MCRXTEFURYDTMN-QGZVFWFLSA-N 377.448 2.955 0 40 GFAB CC(C)CCNC(=O)CCc1nnc2n(CC(C)C)c(=O)c3ccccc3n12 6803159 YLNGUDNYGAYAEY-UHFFFAOYSA-N 383.496 2.795 0 40 GFAB CCOc1ccc(N2C[C@H](CNC(=O)NCCc3ccccc3)CC2=O)cc1 9039551 IHBTWHCWYGZSDD-SFHVURJKSA-N 381.476 2.980 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(Cc3nc4ccccc4[nH]3)CC2)c1C 35598331 CDKFNWQBRKTJQG-UHFFFAOYSA-N 377.492 2.936 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CC(n2cc(COc3ccccc3)nn2)C1 225628587 XSVIBEKXTGJKBG-UHFFFAOYSA-N 384.386 2.761 0 40 GFAB O=C(NC1CCN(c2nc3cccnc3s2)CC1)c1n[nH]c2ccccc12 575605719 DBXBPKYLPXGDOE-UHFFFAOYSA-N 378.461 2.966 0 40 GFAB Cn1ccc2ccn(CCNC(=O)c3cc(Br)cs3)c(=O)c21 575415058 XQXPUOYMZOAGBU-UHFFFAOYSA-N 380.267 2.594 0 40 GFAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(Br)cc3F)nc2n1 40128474 YDCODCULNUFXOB-UHFFFAOYSA-N 378.205 2.824 0 40 GFAB O=C(NCc1ccncc1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40119906 IFULKBDOCLICTN-HNNXBMFYSA-N 377.366 2.765 0 40 GFAB COc1cccc(CNC(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)c1 3006149 OPBCIGILUQXUNT-UHFFFAOYSA-N 377.444 2.934 0 40 GFAB O=C(CCNc1ccc(Br)cc1)N1CCN(c2ccccn2)CC1 32776739 OZYYOYXTXNMDIS-UHFFFAOYSA-N 389.297 2.995 0 40 GFAB CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 41168706 NAUHCFLNAWHZKL-UHFFFAOYSA-N 389.521 2.840 0 40 GFAB Cc1nc(C(=O)N2CCN(Cc3cccs3)CC2)nn1-c1ccc(F)cc1 32808840 NLYQFTWGMYXVHB-UHFFFAOYSA-N 385.468 2.734 0 40 GFAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 4970806 PCCZFZWOVCPPDH-INIZCTEOSA-N 382.416 2.909 0 40 GFAB CN1N=C(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CCC1=O 32836673 DATAESQFPFANBA-GOSISDBHSA-N 375.432 2.571 0 40 GFAB O=C(O)[C@H]1CCCCN1Cc1c(-c2ccc3c(c2)OCO3)nc2ncccn12 6740871 SFOSQZSNDIAKIK-CQSZACIVSA-N 380.404 2.564 0 40 GFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(OCC)c(OC)cc2C)C1=O 6879590 HBWXIHGLCPXUCD-YBEGLDIGSA-N 392.477 2.965 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 6891305 RFHNVJRLPMKHBV-UHFFFAOYSA-N 388.489 2.685 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)c1 7940138 IWYJTLFHSCTBQW-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB CCN(C(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C1CCCCC1 32954634 WDFPVBWEEJKDEM-UHFFFAOYSA-N 397.475 2.630 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C(=O)N1CCCC1 8560340 AIEMJOWTCUCLLD-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COc1ccc(OC)c(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c1 57526345 SYHOWCJHXZGGBX-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB Cc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1Cc1ccccc1 2725751 WJYPFVCNURIPQI-UHFFFAOYSA-N 394.460 2.535 0 40 GFAB O=C(COc1ccccc1-c1noc(COc2ccccc2)n1)N1CCOCC1 33325130 CXTFOXHZHYPARX-UHFFFAOYSA-N 395.415 2.553 0 40 GFAB CN1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[C@H]1c1ccccc1 12296628 CRTKFYNHSTYBSF-GPQLQYNLSA-N 383.536 2.977 0 40 GFAB biogenic O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Br)o1 22506544 RLOABIYDOCYKDY-LLVKDONJSA-N 385.283 2.907 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 22872029 PMVMJCOUODCSAG-UHFFFAOYSA-N 392.477 2.738 0 40 GFAB Cn1c(SCCn2nc3ccccn3c2=O)nnc1-c1ccccc1Cl 58014315 PTMGCOFWWYNMCW-UHFFFAOYSA-N 386.868 2.737 0 40 GFAB O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23315897 VBXALCKVWYMAGV-SNVBAGLBSA-N 377.293 2.766 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)NCCOc2ccccc2C(C)(C)C)CC1 108751941 IHELVMVEOPIFIZ-UHFFFAOYSA-N 396.553 2.541 0 40 GFAB CC(C)c1cc2c(=O)[nH]c(CSCC(=O)Nc3cnn(C)c3)nc2s1 61721618 LDGJOGNCYJMGBS-UHFFFAOYSA-N 377.495 2.713 0 40 GFAB COC(=O)C[C@H](NC(=O)Cc1cc(C(C)=O)ccc1OC)c1cccs1 25083346 MOODTOZZSXYOOY-HNNXBMFYSA-N 375.446 2.922 0 40 GFAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1F 17522133 RHNNOEYBYKGDKI-OAHLLOKOSA-N 380.832 2.676 0 40 GFAB Cc1ccc(NC(=O)CCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 101633535 VOZDARJBHSTPBA-IAGOWNOFSA-N 379.460 2.521 0 40 GFAB O=C(COC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 44214379 IEYRYPYSAIBOHP-KRWDZBQOSA-N 395.411 2.836 0 40 GFAB CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2c1c(=O)[nH]c(=O)n2C 3292992 VWTNSCCSYUAXRI-UHFFFAOYSA-N 381.432 2.763 0 40 GFAB CCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C)Cc1ccccc1 58029803 XFGUSWMBWQOQPY-MRXNPFEDSA-N 379.453 2.834 0 40 GFAB COc1cccc(-n2ccnc2SCCNS(=O)(=O)c2ccccc2)c1 48187863 YDVKNKKNJQNCNV-UHFFFAOYSA-N 389.502 2.952 0 40 GFAB CCCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 2117947 OCTCTXWGCDTEOX-MRXNPFEDSA-N 387.432 2.729 0 40 GFAB biogenic O=C1[C@H]2CCCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1 2183639 OSRQWBNXNBEOSR-LJQANCHMSA-N 388.487 2.545 0 40 GFAB COCCNC(=O)CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 10340470 HMVSZTOOYKOBRO-UHFFFAOYSA-N 381.407 2.533 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C)c(=O)n2N)c2ccccc2)c1 3371258 VQNBLOTVBGEXHS-QGZVFWFLSA-N 395.488 2.749 0 40 GFAB O=CN1CCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CC1 36359801 BLWVCBKMBJTYIW-UHFFFAOYSA-N 377.444 2.521 0 40 GFAB CN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)[C@@H]1CCS(=O)(=O)C1 12781423 MWSZJQJCDATCMY-QGZVFWFLSA-N 397.456 2.663 0 40 GFAB COc1cc(OC)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1OC 28736005 WIXCAWSXJRGJRJ-UHFFFAOYSA-N 396.447 2.775 0 40 GFAB CCOc1ccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C(C)C)cc1OCC 48333583 JSMOCJCZHXCKRH-IBGZPJMESA-N 375.469 2.906 0 40 GFAB CCCCc1c(C)nc2nc(SCn3nnc4ccccc4c3=O)nn2c1C 48375134 ZMWNQBPOXHIAHL-UHFFFAOYSA-N 395.492 2.938 0 40 GFAB CCOc1ccc(Oc2ccc(NC(=O)CC[C@@H]3NC(=O)NC3=O)cc2)cc1 12899399 TUBFYAXFXXDDMR-KRWDZBQOSA-N 383.404 2.804 0 40 GFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 12942491 SXGMZQMLDFTCOX-GOSISDBHSA-N 391.471 2.843 0 40 GFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc(Cl)cn1 16330715 OBVZPQLSLBMIML-SNVBAGLBSA-N 385.902 2.908 0 40 GFAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1nnc2ccccn12 18124318 ISZPVIIJZOFKPR-UHFFFAOYSA-N 382.811 2.682 0 40 GFAB COc1ccc2c(C)c(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)oc2c1 4073298 GOLJWDZKHYPOBG-NYHFZMIOSA-N 385.460 2.806 0 40 GFAB biogenic COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(N)s2)c1 8066654 JOKRPEUQXQSROC-LBPRGKRZSA-N 380.495 2.593 0 40 GFAB CC[C@H](C(=O)Nc1ccccc1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21 64987551 PBSOAQRZTQUQNZ-QGZVFWFLSA-N 378.432 2.969 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(Br)c1)C2=O 4469350 MFLCHGBCCINWJP-UHFFFAOYSA-N 394.269 2.888 0 40 GFAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 65591132 RIZQKCHHVUBTAY-KSSFIOAISA-N 398.532 2.791 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc2c1CCC2 5308285 UDLGIOMWULVLOC-UHFFFAOYSA-N 390.486 2.681 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2cccc(F)c2)cc1 6561140 OXFXHIALYZLWAM-UHFFFAOYSA-N 379.457 2.907 0 40 GFAB COc1ccc2c(C)c(CC(=O)N[C@H](CO)c3ccccc3)c(=O)oc2c1OC 6624291 SDRTYZWODKSVJH-QGZVFWFLSA-N 397.427 2.511 0 40 GFAB biogenic Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C 6657449 POUDAHIDISJQTN-ZHACJKMWSA-N 379.464 2.724 0 40 GFAB O=C(Nc1nn2cnnc2s1)c1cn(-c2ccccc2)nc1-c1cccnc1 6650736 DCTHGXYHRZOHNT-UHFFFAOYSA-N 388.416 2.686 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(C)C 6708517 VONXTQXCOYFLTQ-OAHLLOKOSA-N 387.402 2.735 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(C(F)(F)F)cc1 67197529 MZHUESHLGUPNMU-UHFFFAOYSA-N 381.306 2.907 0 40 GFAB COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 409381233 KWXKJXGAMRLZDV-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB Cc1ccc(CNC(=O)c2cn[nH]c2S(=O)(=O)N(C)c2ccc(C)cc2)cc1 67244905 UJJIFFSRZYCWHR-UHFFFAOYSA-N 398.488 2.782 0 40 GFAB COC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(OC)c1 7033321 KEJUKKXWPLNDOB-UHFFFAOYSA-N 398.415 2.625 0 40 GFAB Cc1nc(C)c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)s1 8937480 DIJJCIKILYVEHV-UHFFFAOYSA-N 395.868 2.667 0 40 GFAB Cc1nnc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)s1 71283519 UMQDMSFEBRCFSS-UHFFFAOYSA-N 386.886 2.682 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc3nccnc3c2)c1C 9155711 HCINITHKYROQFK-UHFFFAOYSA-N 384.461 2.749 0 40 GFAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 9117231 MARXWRDDILRNRY-UHFFFAOYSA-N 384.823 2.921 0 40 GFAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 9421423 PZUFOVMPZHSFQU-QAPCUYQASA-N 378.457 2.972 0 40 GFAB C1CCc2c(c(N3CCOCC3)nc3sc4c(N5CCCC5)nnnc4c23)C1 19925750 JMCXWZUKWQDAMC-UHFFFAOYSA-N 396.520 2.950 0 40 GFAB C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 72302127 UIIZJOGFADMHRH-ROUUACIJSA-N 379.503 2.636 0 40 GFAB C[C@H](CSc1ccc(F)cc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 84640635 QCWDSCNIIWFHCC-BEFAXECRSA-N 398.569 2.878 0 40 GFAB Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2cc(C)sc2C)c1 95460456 JKBPWIVCCIEBFR-UHFFFAOYSA-N 390.490 2.759 0 40 GFAB COc1cc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc(OC)c1OC 95464368 XSRJVANTKIOOLU-HXUWFJFHSA-N 375.396 2.585 0 40 GFAB O=C(OCCCn1nc2ccccn2c1=O)c1ccc(Br)cc1 78874203 BKBOXWJTNBCITQ-UHFFFAOYSA-N 376.210 2.506 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)cc1 116719644 ASCKYRAKBLRNRG-UHFFFAOYSA-N 389.351 2.994 0 40 GFAB CCCc1nc(C(=O)N2CCC[C@H](c3n[nH]c(C)n3)C2)nn1-c1ccccc1F 95966380 NNKPCGIUEGTWCW-AWEZNQCLSA-N 397.458 2.805 0 40 GFAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccc2c(c1)OCCCO2 89873030 CPKOBNZMWZVMLW-UHFFFAOYSA-N 395.367 2.750 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1ccccc1OC 408677444 CUSAVDBPNRRZMW-LBPRGKRZSA-N 389.404 2.905 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 35877099 QGOXTTHFVIUWDE-HAGHYFMRSA-N 392.430 2.969 0 40 GFAB CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)ccn1 500853927 XPVIJKJBFTYGGA-KBAYOESNSA-N 388.512 2.657 0 40 GFAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-n2cccn2)nn1 70641280 IWONHPPCEGZLSC-UHFFFAOYSA-N 376.445 2.758 0 40 GFAB COc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 71279336 UZSFTDZJKJFDQJ-JSGCOSHPSA-N 375.450 2.683 0 40 GFAB CCSc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 30867089 LKXZWYVZFNROGH-UHFFFAOYSA-N 376.459 2.582 0 40 GFAB O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCOc2c1ccc(F)c2F 557045608 LTYXGPFLEBPZJT-LBPRGKRZSA-N 379.384 2.651 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)Nc1cccc(N2CCCCS2(=O)=O)c1 36091524 HNNWCHQPSVDCJD-UHFFFAOYSA-N 398.481 2.698 0 40 GFAB Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828865 FYCPFMWBPODKJK-UHFFFAOYSA-N 382.855 2.630 0 40 GFAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(Cn2ccnc2)cc1 44853829 IYABGIYVTCKHQS-UHFFFAOYSA-N 388.471 2.984 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc23)s1 225203813 AJRWOWWFNXPWHW-UHFFFAOYSA-N 390.490 2.561 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC([C@@H]2C[C@@H](N)CCO2)CC1 566849936 HTFCYEVVFUXUQP-UGKGYDQZSA-N 396.535 2.777 0 40 GFAB CCCCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224177842 HVKPTVXOUPLNKZ-UHFFFAOYSA-N 384.480 2.731 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223330748 SOTRDWWCECUOFX-UHFFFAOYSA-N 396.808 2.752 0 40 GFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225485044 ZOASWQLRSDSMAU-SIIHOXLZSA-N 380.485 2.531 0 40 GFAB CC(=O)c1cccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225946742 JDPVCEVENCTBEK-KRWDZBQOSA-N 378.425 2.647 0 40 GFAB C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCCO2 222656324 BMTYIIPPLLHWQA-MRXNPFEDSA-N 382.460 2.781 0 40 GFAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 224227182 GAELDFHBPUGZOT-QAPCUYQASA-N 382.526 2.936 0 40 GFAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@H]2N 238855615 SGHUIAHMXYQPIE-FZDBZEDMSA-N 389.496 2.886 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)n1 96231149 FLNFYGGNJMEAOM-UHFFFAOYSA-N 384.417 2.784 0 40 GFAB O=C(O)C[C@@H]1CCN(C2CCOCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 514289429 UCUVMYPGWZNKPD-KBPBESRZSA-N 375.444 2.836 0 40 GFAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C)n3)CC2)cc1 96119564 QSQKZCLLJDAREC-UHFFFAOYSA-N 389.477 2.581 0 40 GFAB O=C(NCc1ccccc1OC1CCC1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 580406287 ZRDJZHMSDVAWDQ-HXUWFJFHSA-N 392.521 2.728 0 40 GFAB Cc1ccc([C@H]2[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC(=O)N2C)cc1 96181234 MBPUTTBQAVIFEI-IRLDBZIGSA-N 393.487 2.990 0 40 GFAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCc1nc2ccccc2[nH]1 95479566 YBTSMSAFJUJBST-INIZCTEOSA-N 384.509 2.820 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(O)c(OC)c1 248151244 HCEAKIKVACDQQZ-MTNREXPMSA-N 390.524 2.985 0 40 GFAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)COC2CCCC2)C3)n1 247851621 AQCZMQXXFGQIDC-SFHVURJKSA-N 376.522 2.952 0 40 GFAB Clc1ccc(OCCc2cc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1 257215175 CPBJLNFKKVATEJ-SFHVURJKSA-N 387.871 2.981 0 40 GFAB COCCC(=O)N[C@@H]1C[C@H](c2cccc(OCCO)c2)O[C@@H]2CCCC[C@@H]12 257280171 OJTXSUYZSCWWIU-MTQWCTHYSA-N 377.481 2.599 0 40 GFAB Cc1cc(C)nc(N2CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)n1 257240562 HUBYJHAZLDIZSF-HXUWFJFHSA-N 389.459 2.832 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257283247 OXLLZGNFKRFTQY-HXUWFJFHSA-N 376.416 2.518 0 40 GFAB OC[C@H](c1ccc(Cl)cc1)N1CCN(c2ncncc2Br)CC1 675793029 WJOJTRRFZHJTTP-OAHLLOKOSA-N 397.704 2.748 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N1Cc3ccccc3C1=O)CC2 604404619 GCGOTDRNCRUXFJ-AWEZNQCLSA-N 380.444 2.633 0 40 GFAB biogenic O=C(NC[C@H]1CCCC12CC2)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 626421334 SXWASKSKLCXLQV-HUUCEWRRSA-N 392.525 2.822 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)cc1 575403079 IJTUDEAWSKPPSD-QGZVFWFLSA-N 390.530 2.855 0 40 GFAB O=C(CN1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2)N1CCCC1 585102225 UOHBYWDTXDDVES-FQEVSTJZSA-N 393.890 2.782 0 40 GFAB O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)N[C@H](C1CC1)[C@H]1CCCCO1 585090955 FCUJSFZXOYWUMM-GDBMZVCRSA-N 391.434 2.577 0 40 GFAB COc1cc([C@H](C)NC2CCN(S(=O)(=O)c3cccs3)CC2)ccn1 585082882 FXLHPKLOJKIXOM-ZDUSSCGKSA-N 381.523 2.656 0 40 GFAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 5241166 AVVPTFCSBDGCMI-KRWDZBQOSA-N 398.459 2.935 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 5627351 OXWKIJWDSMHOMT-VIFPVBQESA-N 384.310 2.966 0 40 GFAB C[C@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCCc1nc(-c2ccccc2)no1 12198302 BUKIHZPVIQJFQY-DJJJIMSYSA-N 394.406 2.974 0 40 GFAB CC(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)O 12945969 CUYTVWABZLVLML-KRWDZBQOSA-N 379.416 2.615 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 14607426 DLDAEOMDHGTYPP-CZUORRHYSA-N 378.856 2.555 0 40 GFAB COc1cc(/C=C2/N=C(S)NC2=O)ccc1OCc1cccc(C(=O)O)c1 15821427 NFLKBISKTFCXGX-RIYZIHGNSA-N 384.413 2.729 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1c(C)cccc1C 15992679 AKXNYEMIATZAIQ-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB Cc1cc2nc([C@@H](C)NC(=O)c3c(-c4cccnc4)noc3C)cc(O)n2n1 19129754 UNNZXWZNGCTYCO-LLVKDONJSA-N 378.392 2.593 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@@H](C)c2ccccc2)C3)CC1 19459369 WPCJNBBRRPSGJR-INIZCTEOSA-N 392.503 2.891 0 40 GFAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCC[C@H](O)C4)on3)CC2)c1 19564902 ZPBJIOQGENTYQT-SFHVURJKSA-N 399.491 2.660 0 40 GFAB CCN1CCN(C(=O)COC)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527492 XYDNBGVWQUVBHH-OAQYLSRUSA-N 380.488 2.849 0 40 GFAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 683726554 QWFFUICWNHFVHO-SFHVURJKSA-N 387.505 2.935 0 40 GFAB CCc1nnc(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)s1 23140834 ODGIGXBJBOLBEK-UHFFFAOYSA-N 394.522 2.627 0 40 GFAB COC1=C[C@]23CC(=O)CC=C2O[C@H]2C[C@H](C=O)CC(=C23)C(Br)=N1 267324863 FLDMALHFOXCZIM-CIBPLQMKSA-N 378.222 2.819 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)NCCc3ccc(OC)cc3)C2)c1F 390828046 NWTVLDRBZPHLFS-INIZCTEOSA-N 388.443 2.592 0 40 GFAB CCc1cc(OCC2CCN(c3c(C)c(C)nc4ncnn34)CC2)nnc1C 1888901253 LRDUQAAXHUYJBU-UHFFFAOYSA-N 381.484 2.697 0 40 GFAB CCOc1ncccc1C(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888919563 PBKUDKWZGPOOHB-IYBDPMFKSA-N 391.475 2.575 0 40 GFAB CC(=O)Nc1ccc(C(=S)NCC2(N3CCOCC3)CCCCC2)cc1 25777893 COXAADZYVMRWOC-UHFFFAOYSA-N 375.538 2.945 0 40 GFAB COc1cc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)ccc1OC(C)C 2037984075 PHHINFXEFDNFJH-NRFANRHFSA-N 376.497 2.696 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 23107852 MCTRSCYZMVLNME-INIZCTEOSA-N 380.535 2.717 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)cc(=O)o1 218961457 FTFKVAJPLNDMFS-UHFFFAOYSA-N 393.443 2.877 0 40 GFAB O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 44454660 KHCGCCACXBACEK-UHFFFAOYSA-N 395.488 2.879 0 40 GFAB COc1ccc(OC[C@H](O)CSc2nc3c4ccccc4ncn3n2)cc1 40158679 RZOYEWKPRNQWDJ-ZDUSSCGKSA-N 382.445 2.818 0 40 GFAB COc1ccc(CCNS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)cc1OC 100309642 HYTNQNTURSDSAB-MGPUTAFESA-N 395.521 2.561 0 40 GFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4cccnc4)CC3)c2c1 20744456 UBKWLRZOJPNDLN-FQEVSTJZSA-N 380.448 2.515 0 40 GFAB CCN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)nnn3CC)CC1 32678883 CREIPBOQUSGECE-UHFFFAOYSA-N 378.480 2.845 0 40 GFAB Cc1ccc2c(COC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc(=O)oc2c1 102127818 QYUIMPYKCMHJMK-IAGOWNOFSA-N 397.427 2.710 0 40 GFAB O=C1N[C@H](c2ccccc2F)[C@@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1 102141595 YGCFZXCKJVSFPF-VBQJREDUSA-N 382.313 2.773 0 40 GFAB Nc1ncnc2sc3c(c12)CCN(C(=O)CC12C[C@H]4C[C@@H](CC(O)(C4)C1)C2)C3 102224040 KNLFTLUUYUUAHM-QQRKTFAASA-N 398.532 2.880 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(=O)[nH]c1=O 32843210 ZRYCOPGMQBAICV-GJZGRUSLSA-N 390.528 2.900 0 40 GFAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(CNC(C)=O)s1 32855686 DNYMAPSVYMUSRL-UHFFFAOYSA-N 380.491 2.534 0 40 GFAB COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 6327842 QGRIJCRMWXGCJI-UHFFFAOYSA-N 390.505 2.631 0 40 GFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2c(OC)cc(OC)cc2OC)C1=O 6497499 YDSWNZRFBGGFDN-QNKACBJSSA-N 395.433 2.700 0 40 GFAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 6655885 KTIWZWHUWUYEEZ-MRXNPFEDSA-N 382.526 2.711 0 40 GFAB CCN(c1ccccc1C)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818302 OXJFQYWDIRACFM-UHFFFAOYSA-N 392.462 2.907 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COn2nnc3ccc(Cl)cc32)c1C 6940741 VNONYWGDOJGBEB-UHFFFAOYSA-N 376.800 2.518 0 40 GFAB Cc1nn(CCCNS(=O)(=O)c2ccc(Cl)cc2)cc1Br 2781292 KAECUQAVOTXTLR-UHFFFAOYSA-N 392.706 2.976 0 40 GFAB CCOc1ccc(C(C)=O)cc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 8025311 JXBLFNMRBRGDGV-ZDUSSCGKSA-N 388.489 2.887 0 40 GFAB O=C1/C(=C\NC2=NCCS2)c2ccccc2C(=O)N1c1ccc(Cl)cn1 102986648 KJDPMIOUSKSBIH-UVTDQMKNSA-N 384.848 2.955 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 8375250 HLZFKNGWHVSYHU-UHFFFAOYSA-N 388.489 2.564 0 40 GFAB CC(C)NC(=O)CN1CCC(NC(=O)CCCc2ccc(Cl)cc2)CC1 53503205 JTWGAIGARMSOIZ-UHFFFAOYSA-N 379.932 2.768 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 22548974 XFGURXXEZYXUKX-SFHVURJKSA-N 379.420 2.687 0 40 GFAB O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Oc1ccc(Br)cc1 104188629 DWJCTICLYKAKRF-DPDCMNJDSA-N 390.233 2.552 0 40 GFAB CCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 55767728 RFJUNDJYEFDUNE-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB CN1CCN(C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)CC1 54195710 SJADKMHOAXSLQK-UHFFFAOYSA-N 380.876 2.949 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C[C@@H](C)O1 23682435 YRIAUFZQHINFCJ-ZIAGYGMSSA-N 394.518 2.727 0 40 GFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(Cl)c1 24207524 IYSFJTCFXRVCKD-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(O)c1Cc1ccc(Br)cc1 101075152 BGIBFTYFQLQZHM-CYBMUJFWSA-N 385.283 2.610 0 40 GFAB CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 55170394 ARCFMKPXXYKJPZ-SFHVURJKSA-N 388.533 2.817 0 40 GFAB COc1ccc(C(=O)N2CCN(Cc3nc4ccccc4o3)CC2)cc1OC 25286488 OZMVSYYTTGBJQU-UHFFFAOYSA-N 381.432 2.803 0 40 GFAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 25332425 PPZPPJUFNVYPOY-QGZVFWFLSA-N 375.494 2.612 0 40 GFAB O=S(=O)(NCC1(c2cccc(F)c2)CCOCC1)c1ccc(Cl)nc1 57010029 UZXISSZVDYNKKH-UHFFFAOYSA-N 384.860 2.901 0 40 GFAB CCc1cc(I)cc2sc(NNC(N)=S)nc12 22125112 MUQIHPNVUXBTGT-UHFFFAOYSA-N 378.264 2.623 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113957242 RERDIPOHCNGXQR-UONOGXRCSA-N 394.468 2.866 0 40 GFAB CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ncn(C)c3Cl)ccc12 27942849 ULMVNQROYDLHPZ-UHFFFAOYSA-N 382.825 2.900 0 40 GFAB C[C@H]1Sc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2NC1=O 10843246 YHDIZGIUMFTLPP-GFCCVEGCSA-N 391.493 2.812 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc2ccccc2oc1=O 3318326 FQADMWSNLNRDGS-UHFFFAOYSA-N 395.367 2.765 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 3333270 KYKNAJXINOVNML-IFXJQAMLSA-N 390.443 2.508 0 40 GFAB CCOc1c(Br)cc(F)cc1NC(=O)c1nc2nccc(C)n2n1 12869854 MKSBOTALSYZBOB-UHFFFAOYSA-N 394.204 2.985 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)NC3CCCCC3)CC2=O)cc1 12875082 WSZNDVNSAJOCMZ-RDJZCZTQSA-N 386.492 2.983 0 40 GFAB CC(C)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 3413208 DGROCDXBXPOMMD-UHFFFAOYSA-N 383.495 2.506 0 40 GFAB NC(=O)c1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12985278 GAMQWJGLBPJYQT-UHFFFAOYSA-N 383.492 2.837 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1 3991873 QMZQXJFEYSUTKR-UHFFFAOYSA-N 398.506 2.527 0 40 GFAB COc1ccc(-c2nnn(CC(=O)N[C@H]3CCCc4ccccc43)n2)cc1OC 4195343 KAQXYPAPGYPKHV-KRWDZBQOSA-N 393.447 2.551 0 40 GFAB CCOc1ccccc1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4295433 TXKNVDIYIMIBKN-AWEZNQCLSA-N 379.503 2.976 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 409004022 WFCRYZDZVDHHQE-MRXNPFEDSA-N 389.839 2.757 0 40 GFAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1C 5184539 ZISMUVUKPBPCCR-AWEZNQCLSA-N 379.416 2.574 0 40 GFAB CC(C)c1ccc(CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C2CC2)cc1 9156053 CZHTYORLAXFOIQ-UHFFFAOYSA-N 399.516 2.799 0 40 GFAB O=C(NC1CCCCC1)c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1 21157450 AWKMUWUKIKSBLF-UHFFFAOYSA-N 390.447 2.977 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 69921182 XOAJQINNZCOPNK-IAGOWNOFSA-N 376.522 2.628 0 40 GFAB CC(C)CCC[C@H](C)NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 14245868 XCCUVRYIFBLBPH-INIZCTEOSA-N 381.480 2.913 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)Nc2nc3ccccc3[nH]2)cc1 8746578 OHHXBDXDIPTFBY-UHFFFAOYSA-N 398.488 2.602 0 40 GFAB C[C@@H]1CCCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 8708635 VVNGIZXKLQYQMO-CYBMUJFWSA-N 387.933 2.651 0 40 GFAB CCOc1ccc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1 8719206 QBOZAYSGLUNCEF-UHFFFAOYSA-N 384.432 2.949 0 40 GFAB CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NC1CCN(C(=O)OC)CC1 67444706 RHJVNNMIKFTLHL-UHFFFAOYSA-N 395.887 2.750 0 40 GFAB COC(=O)CNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 15789798 CFCABEFRDRDBPA-UHFFFAOYSA-N 380.400 2.822 0 40 GFAB biogenic COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(C(C)=O)cc1 7734897 HKAWNFLQSDAQNJ-HXUWFJFHSA-N 383.444 2.949 0 40 GFAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)C1CC1 9378747 MCAJYOIXDXBBSJ-GFCCVEGCSA-N 393.896 2.742 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCC)c(Cl)c1 408533028 PHGXCHAGSYAMHP-LBPRGKRZSA-N 376.906 2.712 0 40 GFAB O=C(CCCc1ccccn1)N1CCN([C@@H](CO)c2cccc(Cl)c2)CC1 84609914 IGTGHIAMRPFOIU-FQEVSTJZSA-N 387.911 2.936 0 40 GFAB CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-n2cccn2)c(F)c1 95957375 GGYNQHOZNXPITN-KRWDZBQOSA-N 390.484 2.689 0 40 GFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCCS2(=O)=O)cc1 9952261 SPAPCMPUIRBRAN-UHFFFAOYSA-N 399.472 2.606 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1Cl 408583984 LBOWPTFZAZNJDW-ZDUSSCGKSA-N 396.896 2.674 0 40 GFAB COc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@@]2(O)C(F)(F)F)cc1 409356338 MKDLUQIJMNALEQ-PZSREKOKSA-N 386.370 2.959 0 40 GFAB COc1cccc(C(=O)Nc2cccc(-n3nnnc3C)c2)c1OC(F)F 41984622 OBSNHGUEPJEGTN-UHFFFAOYSA-N 375.335 2.833 0 40 GFAB Cc1ccc(C2=N[C@](NC(=O)c3ccccc3F)(C(F)(F)F)C(=O)N2)cc1 4615326 BSJZFOUZTRIWHH-QGZVFWFLSA-N 379.313 2.699 0 40 GFAB COC(=O)C1=C(C)[C@@](C(C)=O)(C(=O)OC)NC(C)=C1c1ccc(Cl)cc1 33690993 GOSZKUZRNRRZHP-LJQANCHMSA-N 377.824 2.665 0 40 GFAB COc1ccc2cc(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[nH]c2c1 32709161 OUFPIRJYSHJCNQ-UHFFFAOYSA-N 393.443 2.830 0 40 GFAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)CCc2ccccc2)C3)C1 72390905 AZOXGQQABKDUTD-LJQANCHMSA-N 392.503 2.720 0 40 GFAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)NC(C)C)c2)C1 40133697 BYHYQYLJVIISHL-QGZVFWFLSA-N 388.512 2.937 0 40 GFAB CN(C)CCCn1ccc2nc3ncnn3c(-c3cccc(Cl)c3)c2c1=O 40397981 GHZCSZVMBVSPQU-UHFFFAOYSA-N 382.855 2.711 0 40 GFAB CCOC(=O)c1c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]c1C 47417743 JICNUVIWXSSCIA-UHFFFAOYSA-N 377.344 2.714 0 40 GFAB O=C(NCc1nccs1)[C@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223417580 ZMJHLDRTXONILS-CYBMUJFWSA-N 381.404 2.552 0 40 GFAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223019284 GZLUKWORYSFZFQ-UHFFFAOYSA-N 396.538 2.822 0 40 GFAB O=C1N(c2cccc(F)c2)CC12CCN(S(=O)(=O)c1cccs1)CC2 96202935 SNMXNRIDFUUDKT-UHFFFAOYSA-N 380.466 2.705 0 40 GFAB Cc1cc(CNC(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)cc(C)n1 578856130 FUPKJTOGXXDSKT-IBGZPJMESA-N 392.463 2.562 0 40 GFAB CN(C)CCNC(=O)[C@@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1 96146741 VXWSGPRJGDNTNH-HNNXBMFYSA-N 376.551 2.691 0 40 GFAB Cn1nccc1C(=O)NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 90591605 WKCQLSDVNOGOBV-UHFFFAOYSA-N 396.882 2.929 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2ccccc2Cl)c(C)c1 242991450 HUFFUAZDGIYKTR-UHFFFAOYSA-N 380.897 2.860 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 257242399 ICHTVGKUQYMFGL-UHFFFAOYSA-N 380.452 2.810 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257303238 SGHXUDUNWNHLLA-SFHVURJKSA-N 393.422 2.897 0 40 GFAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(CC(N)=O)CC3)[C@H](C)O[C@H]21 257260139 LBLNGMOLIPMLAL-URLQWDBASA-N 388.508 2.900 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 608368353 PPZMOFSYXAGXCE-DZKIICNBSA-N 388.493 2.532 0 40 GFAB COc1cccc(C[C@@]2(C(=O)N[C@@H](C)c3nnc(O)n3C)C[C@H]3CC[C@H]2C3)c1 640582660 HTJAWSAIDCVGFS-ASAVFMKPSA-N 384.480 2.756 0 40 GFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 96376294 GUJHRJICCBTDFG-UHFFFAOYSA-N 399.472 2.650 0 40 GFAB CNCCOc1cccc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 585261658 YGLNSFMRELHJGB-YPAWHYETSA-N 398.503 2.766 0 40 GFAB O=C(CCNC(=O)N1CCc2sccc2C1)N1CCc2sccc2C1 52329491 ZTLWUBPGSTUYFX-UHFFFAOYSA-N 375.519 2.852 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1 62164625 ACBULYILYPSKCZ-OAHLLOKOSA-N 378.436 2.526 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCC[C@H](CO)C1)[C@]1(C2)NC(=O)c2ccccc2N1 72326984 LECRRTWKHHPNQY-KQHRHAAISA-N 397.519 2.595 0 40 GFAB Cc1noc(C)c1C(=O)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974927 XOCQGBQPZZXBOI-UHFFFAOYSA-N 384.823 2.866 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 5934044 IXXFDFGZKDAMEV-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c1 11095314 FOSGBYDLIFOZJN-UHFFFAOYSA-N 397.475 2.537 0 40 GFAB CC(=O)N1c2ccc(NC(=O)[C@@]3(C)CC(=O)N=C4C=C(C)C=CN43)cc2C[C@@H]1C 12204636 ACZWQPKILKCREY-RCDICMHDSA-N 392.459 2.786 0 40 GFAB CNC(=O)C1CCN(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 12334776 AMEIPRGOTVVLCQ-KRWDZBQOSA-N 379.504 2.989 0 40 GFAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 13999432 MSRJCHIGZSTTBD-INIZCTEOSA-N 396.443 2.872 0 40 GFAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CC2)c1 14236719 MAXCLUGMYHRTDA-UHFFFAOYSA-N 385.851 2.991 0 40 GFAB COc1ccc(OCCNS(=O)(=O)c2ccc(Br)cc2)cc1 15357839 RFMGJMBGBUSBQY-UHFFFAOYSA-N 386.267 2.815 0 40 GFAB COc1ccc(C(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1OC 15971628 OTQJYYOUFZJJGO-CQSZACIVSA-N 386.477 2.971 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 17077697 SADXRQSTDFMPBK-HNNXBMFYSA-N 380.375 2.925 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3Cl)C2)c2nccnc21 19021585 SACJJKJDZRKCDU-MRXNPFEDSA-N 398.898 2.605 0 40 GFAB COc1cc2c(cc1CN1C[C@H]3CC[C@](O)(c4ccc(C)cn4)[C@H]3C1)OCCO2 19216114 PXSMMJDJQHYACJ-WLENULPWSA-N 396.487 2.899 0 40 GFAB CCc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 19522921 OOKXPWCJGBUJIA-OAQYLSRUSA-N 380.492 2.979 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(F)cc1F 19930573 OBGPSXYMEZAJLR-UHFFFAOYSA-N 380.416 2.977 0 40 GFAB Cc1cccnc1-n1cccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 105714089 SDCNQRXVQAGDNG-UHFFFAOYSA-N 398.470 2.884 0 40 GFAB O=C(CCc1ccccc1Br)NCC1CCN([C@@H]2CCOC2)CC1 618255685 HNYPMYDZAKYYFE-QGZVFWFLSA-N 395.341 2.999 0 40 GFAB O=C(O)Cc1ccc2c(c1)CN(Cc1ccccc1)CC(=O)NCCCCCO2 643572359 AMEMHJAGOJCLQL-UHFFFAOYSA-N 396.487 2.995 0 40 GFAB C[C@H](Cc1ccccc1F)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220804 ABCWCLDAYPTGLC-UVQUFPMPSA-N 381.451 2.829 0 40 GFAB Cc1nc2ncnn2c(N2CCN(c3nc(C(C)(C)C)nc(C)c3F)CC2)c1C 1888897998 DESQUDVRGRWDJE-UHFFFAOYSA-N 398.490 2.603 0 40 GFAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NC1CCCCC1 2975367 KVKGSVFJJGORDF-UHFFFAOYSA-N 375.450 2.627 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccccc2Cl)o1 4329621 AEOBNHKSTINVQN-UHFFFAOYSA-N 382.763 2.625 0 40 GFAB CCn1nnc2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)ncnc21 13532165 DJTWATOYSNKJDO-UHFFFAOYSA-N 398.370 2.871 0 40 GFAB O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1c(F)cccc1Cl 23127829 UDKRSMSGYJVBLR-MRXNPFEDSA-N 376.815 2.809 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)C[C@H]1Cc2ccccc2CO1 225791549 PKBPGQYXWHALDX-GOSISDBHSA-N 377.510 2.843 0 40 GFAB Cc1cc(CN2CCC(CNC(=O)C(=O)NCc3cccs3)CC2)c(C)o1 43941077 UMLWGWOGOYVTPA-UHFFFAOYSA-N 389.521 2.603 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1ccc2nsnc2c1 225793219 HELXIKUOINZULJ-UHFFFAOYSA-N 394.504 2.759 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NCC1CCCCC1 10402169 UUXAVEJEOUAOBO-CQSZACIVSA-N 381.494 2.640 0 40 GFAB CNC(=O)NC(=O)CN(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 40051372 JFWLKDSYOXJPEF-HNNXBMFYSA-N 382.464 2.664 0 40 GFAB O=C(NCCOc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 40113554 HQISYYUVBWVROX-UHFFFAOYSA-N 398.868 2.526 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 30884250 ASAIAFJAUKEWRN-NRFANRHFSA-N 391.471 2.932 0 40 GFAB O=C(CCc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 30997510 SPPYMPBMSQZJFG-UHFFFAOYSA-N 378.519 2.650 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 31166390 OQNYMMLELMSGNV-GOSISDBHSA-N 383.945 2.689 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1ccc2c(c1)OCCO2 31348023 KFZRFVRMZVGABQ-UHFFFAOYSA-N 390.386 2.766 0 40 GFAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 31781571 XBWRNDMRROGVFE-UHFFFAOYSA-N 398.415 2.853 0 40 GFAB Cc1ccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3C)CC2)s1 51098765 HPNSULJWLTZCOM-UHFFFAOYSA-N 385.533 2.876 0 40 GFAB CCOCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3CC)C2)s1 17945942 YJCYWHQDIKDHPY-CQSZACIVSA-N 388.493 2.986 0 40 GFAB Cc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(Br)s2)c1 3429915 AAHUSWXVJAJREI-UHFFFAOYSA-N 396.262 2.975 0 40 GFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C2CCOCC2)C1)c1ccccc1 4260317 JBOJNTBDZQISPT-FUHWJXTLSA-N 393.487 2.699 0 40 GFAB biogenic,in-vitro CSCC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccccc1C 2632991 AFXCDTBTDRAHGL-HNNXBMFYSA-N 390.461 2.621 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1ccccc1C 4934934 BKNQGVLHWKCWJJ-IBGZPJMESA-N 376.416 2.826 0 40 GFAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 6218710 KZZJPYHPWZEMTG-MRXNPFEDSA-N 389.814 2.971 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6325175 OLZGDLCLQACQPH-UHFFFAOYSA-N 390.505 2.755 0 40 GFAB C[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccc(Cl)cc1 6546064 JMTRKVPLBWXRCC-GFCCVEGCSA-N 385.807 2.620 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCCNC(=O)c1ccccc1 32908536 ILXDATSCQNPCMV-UHFFFAOYSA-N 388.851 2.590 0 40 GFAB CCOc1cc2c(cc1NC(=O)CN1C(=O)[C@H]3CCCC[C@H]3C1=O)O[C@@H](C)C2 108983491 KYBRWCWEMQBWAY-AEGPPILISA-N 386.448 2.522 0 40 GFAB CC[C@H]1CCc2nc(NC(=O)c3ccccc3CN3C(=O)CNC3=O)sc2C1 46783564 QSSDZEQPHHAHEA-LBPRGKRZSA-N 398.488 2.962 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc2c(c1)OCCCO2 24191682 QZAUFHBUXMPPIS-UHFFFAOYSA-N 382.460 2.957 0 40 GFAB C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)NC1CC1 22568255 BCJCQTHSRWCCNV-HNNXBMFYSA-N 385.537 2.681 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 22548914 FBZDFEQSFVAFBM-UHFFFAOYSA-N 377.326 2.913 0 40 GFAB Nc1nnnn1Cc1nnc(SCc2ccccc2Cl)n1-c1ccccc1 12377112 LFAGFKDVZNRPGG-UHFFFAOYSA-N 398.883 2.830 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 102885499 CGZNGZUNAGCKKP-QZTJIDSGSA-N 394.475 2.608 0 40 GFAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](C(=O)O)C(C)C)cc1 12436901 FOTUOPRNSYULOO-HJDVLLJCSA-N 396.443 2.692 0 40 GFAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@H](C(=O)N2CCOCC2)C1 54827932 XOEBRSPTMUDQHV-IBGZPJMESA-N 396.487 2.977 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1sccc1OC 105944559 TYYHFUKICJCCLL-UHFFFAOYSA-N 394.518 2.990 0 40 GFAB Cc1nc2ccccc2n1CC(=O)n1cc(C(=O)c2cc(F)ccc2O)cn1 12531927 ALTVLKGKTKBJPI-UHFFFAOYSA-N 378.363 2.957 0 40 GFAB CCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 24923965 FTXRYOHVXDNYCQ-UHFFFAOYSA-N 378.519 2.894 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 57881491 NCFPVJVOWNCUAB-UHFFFAOYSA-N 379.526 2.677 0 40 GFAB CC(C)[C@H](C(=O)NCc1noc(-c2cccs2)n1)N1C[C@H](C)O[C@H](C)C1 107090323 RJTRHIBYZOGFNI-DVOMOZLQSA-N 378.498 2.548 0 40 GFAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670305 MTBYCWDSMMTWQY-QFBILLFUSA-N 388.491 2.655 0 40 GFAB CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(-c2cccc(F)c2)n1 57508248 RNBDXURDMFACNY-UHFFFAOYSA-N 395.434 2.937 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1cccc(Cl)c1 3288846 PYDJQSLEDXCXKA-UHFFFAOYSA-N 379.807 2.874 0 40 GFAB COCCOC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C 1971264 MAPLIPFJRVWOAV-UHFFFAOYSA-N 376.409 2.757 0 40 GFAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)ccc21 58017113 VCMXSBHURICDLE-UHFFFAOYSA-N 382.445 2.582 0 40 GFAB O=C(Nc1ccc(-n2cncn2)nc1)N(Cc1ccncc1)Cc1cccnc1 58167912 BXBOZGKUJWODRM-UHFFFAOYSA-N 386.419 2.687 0 40 GFAB Cc1c(Br)c(C(=O)N2CCN(c3ccccc3F)CC2)nn1C 28304246 JTXGGDASYREART-UHFFFAOYSA-N 381.249 2.593 0 40 GFAB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cccnc1 20528733 DDNPTIURZCNNMA-UHFFFAOYSA-N 378.354 2.545 0 40 GFAB Cc1nc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)sc1CC(N)=O 58378212 SFIRFNZFAHEPAP-ZYHUDNBSSA-N 375.519 2.938 0 40 GFAB COc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 2228913 NJEQJUNOWLUBFR-UHFFFAOYSA-N 377.433 2.578 0 40 GFAB COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(OC)c(OC)c1 2342641 CXULCJSQJPPHEE-UHFFFAOYSA-N 390.417 2.773 0 40 GFAB Cc1ccccc1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 36447650 FXLDHEIDUCOBCC-UHFFFAOYSA-N 379.504 2.937 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCC(CN3CCOCC3)CC2)c1 48310071 CVZYRLOAWMHECE-UHFFFAOYSA-N 397.313 2.642 0 40 GFAB O[C@@H](CN1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccc2c(c1)OCO2 48332202 DPVSLGPSBOQUTK-HNNXBMFYSA-N 396.274 2.973 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc3ncsc3c2)cc1 3478948 XTHKVGOASYMMOC-UHFFFAOYSA-N 397.456 2.859 0 40 GFAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 3473141 WVGZCWZABYFWAK-GFCCVEGCSA-N 387.388 2.659 0 40 GFAB COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC 12906380 FPOHZSAIGDVFHZ-UHFFFAOYSA-N 390.461 2.705 0 40 GFAB CCCn1c(=O)n(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c2ccccc21 12997653 SPWMWBMOXWGRPT-UHFFFAOYSA-N 394.475 2.619 0 40 GFAB O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12904825 BVFXDLROSUAYIF-SFHVURJKSA-N 391.431 2.801 0 40 GFAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2c(C)noc2n1 12975615 PCGDUZDQWHHSJV-UHFFFAOYSA-N 392.459 2.733 0 40 GFAB O=C(c1ccc(CNS(=O)(=O)N2CCCCCC2)cc1)N1CCCCC1 12917951 KMKPTXJPMUKDPV-UHFFFAOYSA-N 379.526 2.523 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(O)cc(=O)n1CC(C)C 13040422 FDODWNZHVJXJTF-UHFFFAOYSA-N 397.884 2.998 0 40 GFAB O=C(N[C@H]1CCc2ccccc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13006253 UKMKVSIKBWJYKI-YJBOKZPZSA-N 378.428 2.614 0 40 GFAB O=C(O)C[C@@H]1Sc2nnc([C@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 13182943 LDLNZPMXUNJJTA-NEPJUHHUSA-N 378.841 2.984 0 40 GFAB O=C(O)C1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 13167500 PTOKUVNDTDFOLM-UHFFFAOYSA-N 376.634 2.805 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)c1 63492007 GBHOAIWBKGTKSP-IERDGZPVSA-N 395.503 2.819 0 40 GFAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(F)c(F)c1F 5053759 VYDLMXIQEMBNDN-UHFFFAOYSA-N 381.339 2.516 0 40 GFAB COc1cc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)cc(OC)c1OC 6260994 QFRGUBNYZBGYHT-HVHJFMEUSA-N 385.416 2.682 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)OCc1nc2ccccc2s1 6366251 CBQOKKUKVWSLBP-UHFFFAOYSA-N 394.449 2.847 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 5318474 OVHDNXQAVYVBIC-UHFFFAOYSA-N 397.456 2.762 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 6433496 RXHIPHZNIRBNCR-UHFFFAOYSA-N 387.288 2.542 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1F 14198952 PYCSMFZHKBWJHY-HNNXBMFYSA-N 384.407 2.575 0 40 GFAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 14169984 ATMVTZQBYJCBCD-AWEZNQCLSA-N 378.519 2.753 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(OC)c1 14136546 IXPJHGHPEKKLSM-OAQYLSRUSA-N 379.416 2.633 0 40 GFAB biogenic CN1C(=O)N(CC(=O)N[C@@H]2CCSc3ccccc32)C(=O)C12CCCCC2 6852801 MXGLBQHTKHMCSX-OAHLLOKOSA-N 387.505 2.937 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)c2ccccc2C(F)(F)F)c(=O)[nH]c1=O 5966158 VLCXLDJWAVNSTR-UHFFFAOYSA-N 398.385 2.604 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc(N(C)Cc3ccccc3)nc2N)cc1 67336289 AEHHVIALWJYXSI-UHFFFAOYSA-N 384.461 2.537 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccco4)C[C@]34C=C[C@H]2O4)c1 15905424 PHKDZDGCQXIOBV-JPAWQOSXSA-N 378.428 2.817 0 40 GFAB O=C(COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 7813983 SHHULIOKOKWUIS-UHFFFAOYSA-N 399.491 2.826 0 40 GFAB Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 71279629 RGYWQWXSHYSJBF-AWEZNQCLSA-N 392.887 2.852 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 7941050 SBAUOYNNELSJRW-UHFFFAOYSA-N 377.759 2.943 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 9154703 ACBYALXTESEEBS-OJXHRBAXSA-N 382.416 2.843 0 40 GFAB CCN(CC)C(=O)CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 72310132 HFHNTTIDUTXRBC-IBGZPJMESA-N 377.504 2.945 0 40 GFAB Fc1ccc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1Cl 84357517 JVYZNVHJZFMETQ-UHFFFAOYSA-N 378.835 2.609 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc(C(F)(F)F)cc1 95351129 DOOYAGRFSYJSFU-INIZCTEOSA-N 378.350 2.523 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](CCO)CC(C)C)ccc1C 78994952 SEXIKCFGYAFDBB-KRWDZBQOSA-N 398.569 2.800 0 40 GFAB COC(=O)CC1(NCc2csc(-c3ccc4c(c3)OCO4)n2)CCOCC1 79052825 OTBGBHCTEJMLTI-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(F)cc1 67204794 DGGVEHMWNAHTIB-FQEVSTJZSA-N 395.434 2.665 0 40 GFAB Cc1[nH]c2c(C)cccc2c1CC(=O)N1CCn2c(nnc2[C@H]2CCCCN2)C1 72374051 KTPGZUGWJDCBGA-GOSISDBHSA-N 392.507 2.776 0 40 GFAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)CCc3ccc(F)cc3)CC2)cn1 72345714 MTGVCSQIRHDIIZ-SFHVURJKSA-N 384.455 2.668 0 40 GFAB CCOC(=O)[C@@H]1CCCN(c2ncc(-c3nccn3C)c(-c3ccco3)n2)C1 72340777 BXPNYSJOKWXSTP-CQSZACIVSA-N 381.436 2.917 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(F)cc3)n2)cc1 41153876 GKDZMXJWUAQHEI-UHFFFAOYSA-N 377.397 2.504 0 40 GFAB COCc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 223624708 HCADMZQSTPTLQW-UHFFFAOYSA-N 376.478 2.855 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 220808830 CRMWJCHNOFVTFR-OAHLLOKOSA-N 395.463 2.882 0 40 GFAB COCCn1ccc2c(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cccc21 95477214 DJMHXILNHSXBGE-CQSZACIVSA-N 391.431 2.592 0 40 GFAB CCc1ccc(C(=O)N2CCn3nnc(COCc4cccnc4)c3C2)cc1 96256038 BDOSDRYXZSOYAE-UHFFFAOYSA-N 377.448 2.608 0 40 GFAB O=C(Cc1cccnc1)N1CCC2(CC1)CCN(C(=O)c1ccccc1F)C2 96046676 SERHSVNUYBHEKH-UHFFFAOYSA-N 381.451 2.918 0 40 GFAB COc1nc2ccccc2cc1CNC[C@H]1CC[C@@]2(COCCN(C(C)C)C2)O1 248156274 IQNBXMKHZHCZIZ-NFBKMPQASA-N 399.535 2.991 0 40 GFAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 247503606 GGCXBVIXFUQBIV-RTBURBONSA-N 376.547 2.926 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257304045 SJWDBQLJODAIPE-OAHLLOKOSA-N 384.367 2.583 0 40 GFAB C[C@H](NC(=O)CC1CCN(C)CC1)c1cc(F)ccc1N1CCC(O)CC1 585085525 XTLMQCTYCWEFGV-HNNXBMFYSA-N 377.504 2.696 0 40 GFAB O=C(O)COc1ccccc1CN1CCC(c2cncc(-c3ncc[nH]3)n2)CC1 257287739 PRHNYNXNFGMNLP-UHFFFAOYSA-N 393.447 2.710 0 40 GFAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2n[nH]c3nccnc32)CC1 257300306 RTUJOKQPTSQHAG-SHTZXODSSA-N 379.464 2.994 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c1 90608238 MWWDHCVTYNNBTR-UHFFFAOYSA-N 393.534 2.816 0 40 GFAB COc1ccc(C(=O)N2CCC(Nc3nccc4nccnc34)CC2)cc1OC 621268953 DMTHKVPZJUHTED-UHFFFAOYSA-N 393.447 2.759 0 40 GFAB COc1ncc(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)s1 637870671 VEBKVOCFRPBOTL-UHFFFAOYSA-N 380.901 2.561 0 40 GFAB O=C(O)c1nccc2c(S(=O)(=O)N3CCC([C@@H]4CCCO4)CC3)cccc12 573482316 APZZQJYJOOXBPV-INIZCTEOSA-N 390.461 2.513 0 40 GFAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc2nc(O)[nH]c(=O)c2c1 47403063 LUZRLHPYEQSKCX-UHFFFAOYSA-N 384.701 2.948 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n(C[C@H](NC(=O)c2cccs2)C(C)C)n1 72324939 HLCGYQXFWVLCNG-INIZCTEOSA-N 399.520 2.777 0 40 GFAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 5241154 AVVPTFCSBDGCMI-QGZVFWFLSA-N 398.459 2.935 0 40 GFAB CCn1c(C)cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc12 5076460 YLKAUSJUEZFNOI-UHFFFAOYSA-N 387.443 2.679 0 40 GFAB COc1ccc(CCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 5439187 MYWZMOPTHHLCNF-UHFFFAOYSA-N 388.489 2.598 0 40 GFAB O=C1C[C@@H]2C(=O)N(c3ccccc3)C=Nc3nc(N4CCCCC4)nc(c32)N1 13637598 DCIWGRGLAWNFGX-AWEZNQCLSA-N 376.420 2.599 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC 14233865 JBRXNKLGWMNGSU-UHFFFAOYSA-N 392.477 2.921 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 17079462 YFXWAWJVYVCGOD-UHFFFAOYSA-N 389.424 2.839 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3ccno3)CC2)C1 19019832 QTVGDZPGASCBIH-UHFFFAOYSA-N 383.448 2.869 0 40 GFAB Cc1csc(C(=O)N2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1 19124492 YGBZGMLMHGVWGL-UHFFFAOYSA-N 389.477 2.537 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 19132716 AXCJTLDZKQPVEQ-MSOLQXFVSA-N 394.519 2.913 0 40 GFAB Cc1cnc(-c2nnc([C@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)o2)cn1 19239165 JQCRSEQGOGXCMP-KRWDZBQOSA-N 392.463 2.526 0 40 GFAB CCn1cncc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19578402 KFRNNJIRRYXLRD-ZDUSSCGKSA-N 383.477 2.735 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)C1 19585784 QVUJKCQDGHPWMF-IIDMSEBBSA-N 398.511 2.801 0 40 GFAB O=C(NCCN(CCO)C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 6925961 AZBIKTFMXPUVNW-UHFFFAOYSA-N 381.259 2.858 0 40 GFAB CSc1ncccc1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793753 SZZLMVHLZYZDJF-UHFFFAOYSA-N 383.521 2.871 0 40 GFAB CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cn1 630421640 SBWWMXRCLAKXSR-OAHLLOKOSA-N 376.434 2.636 0 40 GFAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)c1cccc(-n2cccn2)c1 1888901196 PREYPELAONLPIP-UHFFFAOYSA-N 387.365 2.905 0 40 GFAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1C[C@H](C)O[C@H](C)C1 21555310 ZFCPPABPIOZQBF-SFWRGPNUSA-N 376.541 2.979 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC 26537323 NONOSAJXWVKQTG-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB Cc1ncc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)n1 2037850034 JFDVQEBPMQLUBA-QFIPXVFZSA-N 394.475 2.522 0 40 GFAB Cc1ccc(CNC(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1 5107282 BIRRFPDERHDKTQ-UHFFFAOYSA-N 396.472 2.717 0 40 GFAB CCn1nnc2c(SCC(=O)Nc3cc(Cl)ccc3OC)ncnc21 13532122 ZIDWSOGFRGOAOY-UHFFFAOYSA-N 378.845 2.634 0 40 GFAB COc1cccc(OC[C@@H](O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 16839731 IPHVSWRPKSGWQY-KRWDZBQOSA-N 393.505 2.826 0 40 GFAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)n(C)n1 1775973956 SEKOTMHTVDHRMK-STQMWFEESA-N 378.274 2.696 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2csc3ccccc23)cc1 225696151 GMPXMJAEGHDVBJ-KRWDZBQOSA-N 390.486 2.872 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccc(C)s2)cc1 96104829 XKKWXGJYJWWHHE-AWEZNQCLSA-N 384.479 2.901 0 40 GFAB CCc1cccc(N2C[C@H](C(=O)NCc3ccc(OC)c(OC)c3)CC2=O)c1 24836455 MKQNRRFEIOKDPZ-QGZVFWFLSA-N 382.460 2.936 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1 20374447 ASCIMYUBVJEPNR-UHFFFAOYSA-N 388.493 2.575 0 40 GFAB O=C(NCCOc1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 29666388 CVJNZRJPUHIBID-UHFFFAOYSA-N 397.456 2.691 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccccc1C(F)(F)F 1936118 ZNRFSCNGLFEITJ-UHFFFAOYSA-N 380.322 2.617 0 40 GFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 21512504 DIXHNXMUHBRUFQ-UHFFFAOYSA-N 389.799 2.575 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 6628012 MGZLBATVZJITMB-UHFFFAOYSA-N 389.477 2.928 0 40 GFAB CCCSc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)s1 11915099 VFLKTVBXGZEXJJ-UHFFFAOYSA-N 391.453 2.978 0 40 GFAB NC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 21705541 CFBJSDFLTAUECR-KRWDZBQOSA-N 381.432 2.603 0 40 GFAB COC(=O)Cn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12062131 DOSOXZOEFIVMST-AWEZNQCLSA-N 379.416 2.738 0 40 GFAB CC1CCN(Cc2ccc(CNC(=O)CCNC(=O)c3ccncc3)cc2)CC1 32922043 ATOGAWNSYBJYIC-UHFFFAOYSA-N 394.519 2.750 0 40 GFAB O=C(CN1CCCc2cc(F)cc(F)c21)NCCCN1CCCCCC1=O 52637670 ULZPVBPIJYOFCM-UHFFFAOYSA-N 379.451 2.626 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2nnc(C)s2)c1 8474581 ARQMCCRIBJCCDK-UHFFFAOYSA-N 390.465 2.754 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 103528815 HDJVVYZNPLXMGE-WCIQWLHISA-N 385.423 2.592 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325595 WZKAYJBJAVVCBG-OAHLLOKOSA-N 375.494 2.746 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 22760159 QFGBFXNIMLTYSB-GOSISDBHSA-N 399.516 2.678 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)c2nc(-c3ccco3)sc2C)cc1 23073390 XXOFMYKAONMKIE-UHFFFAOYSA-N 399.428 2.867 0 40 GFAB CC(C)c1ccccc1NC(=O)COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 941627 VDOWSLJNGDCLIK-AWEZNQCLSA-N 394.427 2.976 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(C)c1OCC(=O)O 58283288 WEPTYJFZSKSAKH-UHFFFAOYSA-N 389.351 2.985 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCc2c(NS(C)(=O)=O)cccc21 52992719 ZGNNUFDDFCPVOG-ZBFHGGJFSA-N 379.526 2.506 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)N1CCC(N(C)c2ccccc2)CC1 57089870 IYRBJECTKGHKOD-UHFFFAOYSA-N 395.503 2.895 0 40 GFAB CCCn1nnnc1COC(=O)c1ccccc1N(C)C(=O)c1cccs1 26424802 OGLQGNKNNXFKIO-UHFFFAOYSA-N 385.449 2.778 0 40 GFAB NS(=O)(=O)c1ccc(OCCSc2nccn2Cc2ccccc2)cc1 25744514 QTIDHSFYWVTOFH-UHFFFAOYSA-N 389.502 2.750 0 40 GFAB COc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccco3)CC1)c(C)n2C 35889460 ZOHVOLLBDYQIEO-UHFFFAOYSA-N 395.459 2.729 0 40 GFAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 58010632 QGXPDSBNXUPMAA-HIFRSBDPSA-N 385.365 2.705 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 3303696 IPVRIXOPXUXPOR-SFHVURJKSA-N 380.444 2.834 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1 8180895 OJNWNEJTKSXPBR-UNXLUWIOSA-N 399.241 2.888 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)c1ccc(Cn2cncn2)cc1 48291017 PMEBTAZLAIKSNU-UHFFFAOYSA-N 377.448 2.973 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCNC(=O)c1ccccc1 48285879 INUONTBWWMBRKN-UHFFFAOYSA-N 394.450 2.717 0 40 GFAB CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)C(C)C)c2)n1 48362758 DVLMIIBBWWQNHA-GOSISDBHSA-N 398.463 2.635 0 40 GFAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(-c2ccccc2)cc1 12878474 DILNIZJZMOYVQW-HNNXBMFYSA-N 387.443 2.674 0 40 GFAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)cc1OC 16971592 KCMZCNDBAXBRKK-SNVBAGLBSA-N 391.449 2.652 0 40 GFAB COCCN1CCn2c(nc3cc(NC(=O)COc4ccccc4)ccc32)C1 13540235 LIRYYORBODPVIU-UHFFFAOYSA-N 380.448 2.516 0 40 GFAB COc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 64164834 RAWOHIWYAHGABO-LDJQZATESA-N 377.444 2.966 0 40 GFAB COC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 8471020 HCVZXLZTLYGNQE-JTQLQIEISA-N 387.249 2.800 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1 6267682 HEKJWPHNKGYRDH-SNVBAGLBSA-N 385.417 2.768 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2 5242007 KHBFSGSRKCOMRW-RDTXWAMCSA-N 388.464 2.502 0 40 GFAB NC(=O)Cc1csc(NC(=O)CCCc2ccc(Br)s2)n1 14197938 JEXCVDZOGWWUEJ-UHFFFAOYSA-N 388.312 2.956 0 40 GFAB CCCN(C(=O)Cc1csc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 6529543 FJQQOLBLUCJOGJ-INIZCTEOSA-N 378.519 2.778 0 40 GFAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nnc(C)s3)n2C)cc1 4736444 NKQMDMLJAMVBOS-SECBINFHSA-N 390.494 2.770 0 40 GFAB COCCNc1nnc(SCC(=O)NC(=O)Nc2cccc(C)c2C)s1 8878735 BKKFCZCGYUWAOK-UHFFFAOYSA-N 395.510 2.654 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc2nsnc12 6948288 ZLEYEZIALDSFOJ-UHFFFAOYSA-N 396.881 2.604 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1N=CC[C@]1(O)C(F)(F)F 6921127 NJWKRIIOCMNGGE-WKEGUHRASA-N 392.687 2.894 0 40 GFAB CC(C)CCNC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208409 HXLBMQIASBYQQV-UHFFFAOYSA-N 389.459 2.874 0 40 GFAB CC(C)N1CCc2c(c(=O)nc3n2CCC32CCN(Cc3ccco3)CC2)C1 306139956 UFFQECUEUDUKPB-UHFFFAOYSA-N 382.508 2.540 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)cc2)ccc1F 15590950 NBEZYMZKIPNDAM-UHFFFAOYSA-N 394.468 2.795 0 40 GFAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)s1 9855131 BHSFCNRVIFOBJQ-SECBINFHSA-N 390.939 2.846 0 40 GFAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3)C2=O)cc1 9420349 WMUHHWGOGCEFEF-SFHVURJKSA-N 381.432 2.577 0 40 GFAB C[C@]1(C2CCCCC2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 9512415 OYIINZCPWQOCOO-GOSISDBHSA-N 383.370 2.933 0 40 GFAB CC(C)CN1C[C@@H](C(=O)Nc2n[nH]c3cc(Br)ccc23)CC1=O 79488668 NOEFTAUCIMTFLB-JTQLQIEISA-N 379.258 2.768 0 40 GFAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21 89861265 FMRWSEBJROJSFB-UHFFFAOYSA-N 399.516 2.862 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1 408590355 GHPRUZDPJVKXJT-AWEZNQCLSA-N 376.478 2.953 0 40 GFAB COc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1OC 68930631 QYKFLQFWKCIDIO-AWEZNQCLSA-N 384.432 2.865 0 40 GFAB COC(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)OC 68741234 XGHNCZGRIIVXKE-UHFFFAOYSA-N 381.294 2.621 0 40 GFAB CCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21 32672308 QENVANIGBICCFE-UHFFFAOYSA-N 380.495 2.991 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)NCCc2ccc(OC)cc2)ccc1C 408623855 QCOYOYPQEDWHFW-UHFFFAOYSA-N 390.505 2.664 0 40 GFAB O=c1[nH]c2ccccc2n2c(SCCCn3c(O)nc4ccccc43)nnc12 515354411 PPDHFULEEPXFEZ-UHFFFAOYSA-N 392.444 2.809 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70969002 AMBQSSLAHCYNEH-HXUWFJFHSA-N 388.851 2.701 0 40 GFAB C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cc(-c2ccccc2F)on1 562441234 PWTYZQKSUOTITD-AWEZNQCLSA-N 388.443 3.198 0 40 GFAB CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)cc1 225665306 XRKMREHVVSVRTQ-RBUKOAKNSA-N 390.505 2.895 0 40 GFAB COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222772963 ZQXSNGJGHCOLDH-GOSISDBHSA-N 384.476 2.635 0 40 GFAB CSc1nc(C)cc(NCCOC(=O)c2snnc2-c2cccnc2)n1 223852980 KDCFHKAACGZAFM-UHFFFAOYSA-N 388.478 2.689 0 40 GFAB C[C@@H](NC(=O)N1CCC2(C1)Oc1ccccc1O2)c1ccc(-n2ccnn2)cc1 572557275 OUTFTZDXAICJFB-OAHLLOKOSA-N 391.431 2.911 0 40 GFAB CSCC[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nnc2ccccn12 96118198 XGCMVFAGNMSXJO-AWEZNQCLSA-N 393.476 2.739 0 40 GFAB COc1ccc(CN2C[C@H]3CN(Cc4ccccc4OC)CCN3C2=O)cc1 96269124 IKUYYONSOHYCLN-LJQANCHMSA-N 381.476 2.826 0 40 GFAB biogenic,in-vitro O=C(Nc1ccc(F)cc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240890 FNOOEUYMKKQLSK-KRWDZBQOSA-N 375.444 2.709 0 40 GFAB COc1cccc([C@@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2nccn2C)c1OC 257285782 PIWOIMWMPOQPPG-IIDMSEBBSA-N 387.480 2.848 0 40 GFAB O=C(CC1(C(=O)O)CCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 262567461 YEISHPOODAOLPJ-UHFFFAOYSA-N 398.381 2.635 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260839039 GXFVMMNZOAKCFZ-ZZCKCESHSA-N 380.510 2.545 0 40 GFAB CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN(Cc2ccccc2)C1 363512564 WAQHGLBPLUQCQK-DXBBTUNJSA-N 385.552 2.609 0 40 GFAB O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccnc2ccnn12 626234304 TVADCJRMSBKLFH-AWEZNQCLSA-N 396.451 2.596 0 40 GFAB NC(=O)N[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1cccs1 106145871 IDNLVKRPZVTUBI-IRXDYDNUSA-N 386.521 2.628 0 40 GFAB COc1ccc(CN(Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)c(OC)c1 12187192 AJPDMBACEVKTNU-LJQANCHMSA-N 386.496 2.741 0 40 GFAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(OC)ccc3OC)ccc21 12214775 XVPNRVNNHDVLCL-LBPRGKRZSA-N 398.419 2.652 0 40 GFAB O=C1N[C@@H](c2ccc(O)cc2)[C@@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 13562997 MPEPRMHZBVKOIL-GRDNDAEWSA-N 398.312 2.635 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1cc(C)ccc1C)c1ccc2c(c1)OCO2 14397024 CPKIKTKTHCTXJJ-UHFFFAOYSA-N 390.461 2.827 0 40 GFAB Cc1cccc(C2(CNS(=O)(=O)c3cn(C(F)F)nc3C)CCOCC2)c1 19234565 ODQIJPPJLJFSHH-UHFFFAOYSA-N 399.463 2.922 0 40 GFAB CC(=O)Nc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccccc2)cc1 19285416 RQVBMKRRBZVRTC-HXUWFJFHSA-N 390.443 2.751 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19333224 RCUZFKGNCLRJBI-VNQPRFMTSA-N 393.413 2.889 0 40 GFAB CCOc1cc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)ccc1OC 19532097 SBXHXOMJGJXJHJ-UHFFFAOYSA-N 398.507 2.726 0 40 GFAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1cc3ncccn3n1)C2 19562490 SNMAVPUMYQAKGB-FQEVSTJZSA-N 392.459 2.732 0 40 GFAB Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nnc3n1CCN(C)CC3)CCCC2 19710764 HRFMKBRSFKZAMW-MRXNPFEDSA-N 383.496 2.524 0 40 GFAB Cc1sc2c(c1C)CN([C@@H]1CCS(=O)(=O)C1)CN2C(=O)c1ccco1 19879533 HISLVHMPEDGTCU-CYBMUJFWSA-N 380.491 2.565 0 40 GFAB Cc1nn2c(nnc3c(=O)n(-c4nccs4)ccc32)c1-c1ccc(F)cc1 19962723 IAXRPZABYKNYPL-UHFFFAOYSA-N 378.392 2.999 0 40 GFAB CCCc1cc(N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)n2ncnc2n1 4898189 GYELBEXODIJYQY-MRXNPFEDSA-N 396.470 2.749 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 7373209 HPSLQIAFMAAROU-UHFFFAOYSA-N 387.461 2.602 0 40 GFAB CN1C[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1=O 12145564 ZVNCHBJDNDIWQI-CXAGYDPISA-N 384.455 2.619 0 40 GFAB COCCn1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c2ccccc21 556743072 WPJCIWZTVSAIIB-IOMROCGXSA-N 386.492 2.680 0 40 GFAB Cc1nc2cc3c(cc2n1CC(=O)N[C@@H]1CCOc2ccccc21)OCCO3 19666541 OZLBPXDEJKYFEU-OAHLLOKOSA-N 379.416 2.756 0 40 GFAB CCC(=O)N1CCO[C@H](c2c(C(=O)NCCOC)sc3ccccc23)C1 19697946 ZULWMKYVPKHMBT-AWEZNQCLSA-N 376.478 2.587 0 40 GFAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 24051798 SDTXFADQVSCOOI-UHFFFAOYSA-N 389.458 2.562 0 40 GFAB CN(Cc1c(Br)cnn1C)S(=O)(=O)c1ccc(Cl)cc1 36615273 UJOXSATWYQTACA-UHFFFAOYSA-N 378.679 2.657 0 40 GFAB Cc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)cc1 4250563 HERVSCUHHZPZMO-UHFFFAOYSA-N 399.454 2.804 0 40 GFAB O=C(COc1ccccc1F)NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 9100500 PQGADZCSAHLQRW-CQSZACIVSA-N 378.787 3.000 0 40 GFAB CCOc1ccc(NC(=O)NCc2nnnn2-c2ccc(OCC)cc2)cc1 9571412 USDCGNWSPNXWIK-UHFFFAOYSA-N 382.424 2.781 0 40 GFAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccc(C(F)(F)F)cc3)cnc21 10250833 ILSICLHMQHJPLV-UHFFFAOYSA-N 379.342 2.751 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccccc2)CC1 10326978 UNBNWQPDDZEUEP-UHFFFAOYSA-N 377.366 2.993 0 40 GFAB CCOC(=O)[C@H](OC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccccc1 12412350 DVTZOWBFORENDG-LJQANCHMSA-N 380.400 2.703 0 40 GFAB C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@]12CCN(CCN1CCCC1)C2=O 2055704286 ALPPOSRJOGIMAP-JPAWQOSXSA-N 375.557 2.606 0 40 GFAB COc1ccc(-c2ncnc(N3CC(N(C)Cc4coc(C)n4)C3)c2F)cc1 1775974260 DVNUBMHAAPQMEC-UHFFFAOYSA-N 383.427 2.908 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 44450956 JYIYVNPRGSDZTP-RNUUNTDPSA-N 388.445 2.551 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)c2cc(Br)cs2)cc1OC 207963667 GFQYUGJGERKUMW-NSHDSACASA-N 386.267 2.991 0 40 GFAB CCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(C)C 11565997 NWDVWUJFLRALSX-UHFFFAOYSA-N 382.526 2.875 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19499435 BSXALHGRFBSHAG-PMACEKPBSA-N 396.491 2.652 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(Oc2cnccn2)c1 40133592 PWLNOYNWMFZELR-UHFFFAOYSA-N 375.450 2.955 0 40 GFAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc4oc(=O)ccc4c3)cnc21 32097915 UDDYYDIVGUCXLB-UHFFFAOYSA-N 384.417 2.919 0 40 GFAB CCOc1cc(NC(=S)NC[C@H]2CCCO2)c(OCC)cc1NC(C)=O 929401 CDFZZXAUMLSEOW-CYBMUJFWSA-N 381.498 2.908 0 40 GFAB O[C@@H](COc1c(Cl)cccc1Cl)CN1CCN(c2ccccn2)CC1 46341846 UWBFFYMDYYLWNL-CQSZACIVSA-N 382.291 2.950 0 40 GFAB Cn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)NC1CCCCC1 1325485 RBKYRVWXBKIHFT-UHFFFAOYSA-N 388.493 2.676 0 40 GFAB COc1cc(NC(=O)CSc2nnnn2C2CCCCC2)cc(OC)c1 1340441 QPOBRADUACNVLN-UHFFFAOYSA-N 377.470 2.926 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 32796795 RVTFCQXTIGRMJP-UHFFFAOYSA-N 388.489 2.722 0 40 GFAB COCCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)S[C@H](C)C2 3959749 XLYQFJASWDCIAH-GFCCVEGCSA-N 376.503 2.901 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487865 ILXDDQNPLLGHNZ-YTBGYOSVSA-N 383.828 2.675 0 40 GFAB O=C(Cn1ccccc1=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 32800698 DEXFRYJMMCAWKJ-UHFFFAOYSA-N 386.249 2.677 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1C2 6403651 YLMOLECRVWEACO-SVIJTADQSA-N 398.411 2.918 0 40 GFAB COc1cc(CNn2nnnc2N)ccc1OCc1ccc(Cl)c(Cl)c1 7601190 PXKAXYJKHRUDDD-UHFFFAOYSA-N 395.250 2.893 0 40 GFAB COc1ccc(-c2noc(CN3CCN(C(=O)c4ccoc4C)CC3)n2)cc1 29981103 JCCHCGMZBLFHIX-UHFFFAOYSA-N 382.420 2.605 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 8036420 MLIHYOZSJDPNBK-WBVHZDCISA-N 396.443 2.787 0 40 GFAB COc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)NCc1ccccc1 8476189 GYXSGFZNPVGYHE-UHFFFAOYSA-N 376.478 2.560 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc(C(=O)OC)c1 8494986 JPTNCXCFCAABJE-GFCCVEGCSA-N 387.388 2.674 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc4c(c3)OCO4)CC2=O)cc1 8922383 UVYGHENGPUAWMT-MRXNPFEDSA-N 395.411 2.757 0 40 GFAB C[C@]12CC[C@@H](C[C@@H]1C(=O)N1CCSCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178357 SRWOMQHWEUBBOO-IWMXFIMRSA-N 386.517 2.907 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CNc3ccc4c(c3)OC(F)(F)O4)nnc12 22185544 ZSDGFYLUWBWFJV-UHFFFAOYSA-N 385.330 2.515 0 40 GFAB c1csc(-c2nnn(CN3CCN(Cc4nc5ccccc5s4)CC3)n2)c1 22794474 JQBKSQRFHJOVII-UHFFFAOYSA-N 397.533 2.787 0 40 GFAB COCCc1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 100763663 CCFYUFOTUDPNGM-OALUTQOASA-N 383.492 2.689 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccsc3)CC2)c(C)c1 25013328 QQSAZNZOKWKAJP-UHFFFAOYSA-N 378.519 2.820 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NOCc2ccccc2)c1 8096948 OEQHZQVMXLTWAM-UHFFFAOYSA-N 376.478 2.887 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1-n1cnnn1 12525876 BRQXQOJHBZWJNV-UHFFFAOYSA-N 394.254 2.534 0 40 GFAB CN(CCc1cccc2ccccc12)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108456896 NXYUDTKKRUFHDL-MOXQZVSFSA-N 388.467 2.648 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1 26527741 AIBIIMZUGQZNRT-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1Cl 67068598 GHAOQNQBHLHWNJ-UHFFFAOYSA-N 387.867 2.989 0 40 GFAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H](Sc2ccccc2)C(C)C)CC1 58297843 QJZNXRXGZAMMJR-XLIONFOSSA-N 391.581 2.862 0 40 GFAB CCOCCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 2179181 WLFQLTHBNIPCGM-UHFFFAOYSA-N 390.505 2.809 0 40 GFAB O=C(c1ccccc1F)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11003530 UWGCQPYLGBCCCY-UHFFFAOYSA-N 380.416 2.502 0 40 GFAB O=C(NC[C@H](O)COc1ccccc1)c1cnn2c(-c3ccccc3)ccnc12 48355172 JTEZDDKQDNSKTR-KRWDZBQOSA-N 388.427 2.566 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 12809669 SFUQUATZNOFDGN-UHFFFAOYSA-N 390.386 2.895 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCCCc1ccccc1 3600799 RUIVHNPQQFJZNX-HSZRJFAPSA-N 391.471 2.519 0 40 GFAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(CN2CCCC2=O)cc1 8230717 XVZDNKLITMIPKD-UHFFFAOYSA-N 377.444 2.954 0 40 GFAB NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 5047294 WKXIROMNKBVWEK-UHFFFAOYSA-N 375.475 2.556 0 40 GFAB O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCCS2(=O)=O)cc1 4316234 LTKVBYDFBYENDE-UHFFFAOYSA-N 378.881 2.852 0 40 GFAB CCCNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 8405964 XRPKOEBIJFRHAH-UHFFFAOYSA-N 379.464 2.935 0 40 GFAB COC(=O)c1ccc([C@@H]2CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CN2)cc1 306145481 GPNXCGBLAHTCQJ-JXFKEZNVSA-N 376.453 2.514 0 40 GFAB CC(C)CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 6719292 CPDVTBZKODMVEU-GJZGRUSLSA-N 396.534 2.579 0 40 GFAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCC(C)CC1 4872211 RDXGWTQVBXNKEE-NKELODKYSA-N 397.629 2.899 0 40 GFAB COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 6841292 ZITZACCRUGQFFI-MELADBBJSA-N 399.329 2.914 0 40 GFAB COC[C@H](C)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 7737368 VRQFIRIUGYTBMF-LBPRGKRZSA-N 389.502 2.690 0 40 GFAB CCn1nnc2cc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)ccc21 7734528 GBJWPCDHEVENRV-UHFFFAOYSA-N 390.447 2.739 0 40 GFAB COc1cc2nc(Cl)nc(NCCCCN3CCN(C)CC3)c2cc1OC 19862513 KACITAXMGHUKGY-UHFFFAOYSA-N 393.919 2.740 0 40 GFAB CCC(=O)Nc1ccc2nc(SCC(=O)N3CCN(C)CC3)sc2c1 19922876 ZOLHJPZGVWSHBF-UHFFFAOYSA-N 378.523 2.511 0 40 GFAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2COc3ccccc32)C1 84247966 XTLFWVMQUWISSB-NVXWUHKLSA-N 380.448 2.884 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)c3nc(Cl)ccc3Cl)cc2N1 9646855 AZUGTKMGJDIQOX-UHFFFAOYSA-N 381.171 2.759 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(=O)N1CCOCC1 408600822 CPVQJZCTTGACLH-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)Cc1ccon1 95998568 VBPNFEOYZPWYSD-GOSISDBHSA-N 384.411 2.759 0 40 GFAB O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@H]1CCn2c(cnc2C(F)(F)F)C1 95993136 YCDDOPKUGYVPBU-JTQLQIEISA-N 394.332 2.823 0 40 GFAB Cc1ccsc1C(=O)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306132439 LIVWVBQJDDUOJG-MSOLQXFVSA-N 392.484 2.975 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408628098 TZBLSPYMCUCJBW-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1OC 408560236 GHRIMZFGZHWXHC-AWEZNQCLSA-N 375.494 2.950 0 40 GFAB CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3c(C)cc(Br)cc32)N2CCC[C@H]12 55243866 BBMYCHCIBYQNEH-WRSAYESZSA-N 393.281 2.952 0 40 GFAB COC(=O)c1ccc(C(=O)Cn2nc(N)n(Nc3cccs3)c2=S)cc1 36625662 PYLFPZROKMSXCO-UHFFFAOYSA-N 389.462 2.602 0 40 GFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 408612758 YPGGFCJVXDBEQG-ZDUSSCGKSA-N 380.441 2.918 0 40 GFAB Cc1nonc1NC(=O)CN1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362430 AWZLDJPANKVTIX-OAHLLOKOSA-N 394.435 2.778 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(CN)C(=O)O)cc1 218575115 JJYMCHHCEJXEPQ-SOLBZPMBSA-N 379.865 2.618 0 40 GFAB COCCCNc1cnn([C@@]23C[C@@H]4C[C@@H](C[C@@H](C4)C2)[C@H]3C(=O)O)c(=O)c1Cl 217553150 CMBTUTCYOMITKY-CDCVIALCSA-N 395.887 2.581 0 40 GFAB CCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 39985481 DTQXJBZUJCKPIS-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB O[C@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)C1 72340389 XTFOMWGYXVPFSW-ZDUSSCGKSA-N 382.445 2.957 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCOc2ccccc21)Cc1ccc(Cl)cc1 226050072 TZVISGLBVRIRRM-UHFFFAOYSA-N 394.880 2.527 0 40 GFAB Cn1c(=O)n2n(c1=O)[C@H]1C(=C3[C@H]4CC[C@@H]5CC[C@H]([C@H]45)[C@@H]32)[C@H]2CC[C@@H]3CC[C@@H]1[C@@H]23 43761856 OQPJCJPJPNWQBN-IMYJBOOVSA-N 379.504 2.873 0 40 GFAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 77200027 VQQXTHSPCSYTOL-GOSISDBHSA-N 386.379 2.536 0 40 GFAB O=C(NC[C@@H]1CCCN(C(=O)C2(C(=O)O)CCCC2)C1)Nc1cccc(F)c1 571214310 ZVYQHOZAKDKKHD-AWEZNQCLSA-N 391.443 2.831 0 40 GFAB O=C(NCc1ncc(C(F)(F)F)cn1)N1CCOC[C@H]1c1ccc(F)cc1 580997498 GBOVBXHLJFOCMU-AWEZNQCLSA-N 384.333 2.918 0 40 GFAB Cc1ccccc1N1C[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 96238626 DSENSZKJKXETFD-HXUWFJFHSA-N 388.464 2.952 0 40 GFAB COc1ccc(CCC(=O)N2CCc3ncncc3C2)cc1Br 96122766 CDHWKNHMIOKKBS-UHFFFAOYSA-N 376.254 2.765 0 40 GFAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)CCn3ccnc3)CCO2)n1 257254453 KDCPNHDQIHTDNR-GOSISDBHSA-N 381.436 2.540 0 40 GFAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCCCn2ccnc2C)c1 257220775 DMBXAKXIUHPCEM-UHFFFAOYSA-N 391.475 2.710 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 260798210 QJKKTQQKSHIDJO-LPHOPBHVSA-N 390.505 2.511 0 40 GFAB CN1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)[C@H](Cc2ccccc2)C1 650756682 HRWRALYGVJWYRR-QGZVFWFLSA-N 381.505 2.543 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)NC[C@H](C)N4CCN(C)CC4)ccc32)c1 668696786 UMTBEJVBDVHMBX-SFHVURJKSA-N 391.519 2.700 0 40 GFAB O=C(CN1CC[C@@]2(C1)C(=O)Nc1ccccc12)Nc1nc2c(s1)CCCC2 681702328 UUJYFSPWAFVDRI-FQEVSTJZSA-N 382.489 2.556 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cnn(C[C@H]2CCCO2)c1 685625820 VXONEGCMQOEYON-LLVKDONJSA-N 391.781 2.878 0 40 GFAB CN(C)c1ccc([C@@H](O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 90611879 QVGKHKQOSYJNQX-INIZCTEOSA-N 388.411 2.783 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1cn(C)c2ccccc12 96096540 XWWWEUYHIMRLID-QGZVFWFLSA-N 383.473 2.689 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)cc1 575402725 GDMFWOLLLXNZGQ-INIZCTEOSA-N 376.503 2.718 0 40 GFAB Cc1c(C(=O)N2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)oc2ccccc12 575406045 VTBJVMAOMHCPSL-QGZVFWFLSA-N 394.431 2.689 0 40 GFAB Cc1ccc(N2CCC(O)(CN3CCC[C@]4(C)NC(=O)CCC[C@H]34)CC2)cc1 585283233 MHNHBDQJCCCEPI-UNMCSNQZSA-N 385.552 2.850 0 40 GFAB Cc1nnc(CN(C)C(=O)NCc2cc(Br)cc3c2OCC3)s1 1616044301 HGWLMMHZHSXHCQ-UHFFFAOYSA-N 397.298 2.886 0 40 GFAB CCOc1ccccc1-n1nnnc1SCc1cc(=O)n2cc(C)ccc2n1 5020891 MSBZUWLPRBCWCP-UHFFFAOYSA-N 394.460 2.670 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc(F)c1 5065582 HBNGTLOTIJVEOK-XHDPSFHLSA-N 378.425 2.664 0 40 GFAB Cc1ccc(C2=NO[C@H]3[C@@H]2[C@H]2O[C@@H]3[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 5389764 JULWPSFCYHVUQG-LLGWXDCBSA-N 388.423 2.609 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(F)c(F)c2)NC(=O)N3)cc1 12144534 XYAPIMZOLXJJCZ-LJQANCHMSA-N 399.397 2.666 0 40 GFAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc4nccnc4c2)C3)CC1 12183659 RQJASOTXAZTUHC-UHFFFAOYSA-N 390.491 2.508 0 40 GFAB O=S(=O)(Nc1ccc(F)cc1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585706 KVRUJZLEACJPAE-UHFFFAOYSA-N 380.422 2.665 0 40 GFAB O=C(c1ccco1)N1CCN(c2nc(-c3ccc(Cl)cc3)cc(=O)[nH]2)CC1 14606950 YCFRFLTVSSEILE-UHFFFAOYSA-N 384.823 2.646 0 40 GFAB CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nn1C 15672391 DYHVNLKBEDVOEI-JZXOWHBKSA-N 397.523 2.593 0 40 GFAB biogenic,in-vitro O=C(C1CCCC1)N1CC[C@H](c2nc(O)c3c(n2)CN(C2CCCC2)CC3)C1 19014524 NOFBMCPUYPLBQD-INIZCTEOSA-N 384.524 2.989 0 40 GFAB Cc1cnc(C(=O)N[C@@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)cn1 19130056 ZLFWTAAOPBJXLY-KRWDZBQOSA-N 388.431 2.556 0 40 GFAB Cc1ccn(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n1 19238055 QKJCVBMGLPVTDI-KRWDZBQOSA-N 391.475 2.635 0 40 GFAB CC[C@@H](c1nnnn1Cc1ccco1)N1CCN(Cc2ccccc2OC)CC1 19500692 GGRUMOVCXMAAQM-IBGZPJMESA-N 396.495 2.592 0 40 GFAB CCc1c(C)nc([C@H]2CCCN2C(=O)Cc2ccc(OC)c(OC)c2)[nH]c1=O 19521583 BPPKWVLHIKXXAB-MRXNPFEDSA-N 385.464 2.564 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)cc1 19554251 QDCAMVVAMLYJHY-HNNXBMFYSA-N 383.477 2.644 0 40 GFAB Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 19582816 ASTSTDGWXDNVRF-VSOVRNOCSA-N 376.460 2.938 0 40 GFAB Cc1nc(N2CCCCC2)ncc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 19663555 AYEWNGGHRUBRAF-LJQANCHMSA-N 395.507 2.992 0 40 GFAB CCn1cc(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)c(C)n1 19715572 DPVLNWSXKSHELL-INIZCTEOSA-N 380.496 2.916 0 40 GFAB Cc1nc([C@H]2CCCN2C(=O)c2cc[nH]n2)ncc1C(=O)Nc1ccc(F)cc1 19755114 NNBALKOSKSDATQ-QGZVFWFLSA-N 394.410 2.877 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1C 8336383 JGZLBPCTFFMFLC-SXGWCWSVSA-N 386.429 2.949 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)NCC1CCN([C@H]2CCSC2)CC1 225573112 YVOAHNZUIACIGO-INIZCTEOSA-N 388.986 2.977 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)c4ccn(C)n4)CC3)nc2cc1OC 12087979 QLPNFXKQFBEGBV-UHFFFAOYSA-N 395.463 2.588 0 40 GFAB O=C(CCc1cc(Cl)no1)N1CCC(O)(Cn2ccc3ccncc32)CC1 12253821 WUZRMUJOUJKFNX-UHFFFAOYSA-N 388.855 2.664 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3ccccc3F)C1)CC2 31208789 QOGORTHDDCVKAL-INIZCTEOSA-N 398.434 2.781 0 40 GFAB O=C(O)c1ccc(NC(=O)c2ccccc2I)cc1O 20137868 NOESKGSWMDHWQZ-UHFFFAOYSA-N 383.141 2.947 0 40 GFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1ccnc(-c2cccnc2)c1 238880514 PDDLFOKWGNSOPB-CQSZACIVSA-N 377.400 2.956 0 40 GFAB CN(C)[C@@H]1CCN(C(=O)c2cnc(-c3cnc4ccc(Cl)cn34)s2)C1 2037834887 DERSFPBFSSJXBP-GFCCVEGCSA-N 375.885 2.887 0 40 GFAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@@]12CCCN(Cc1ccc(Cl)cn1)C2 2037873380 GDURTNVIEPOCCL-SVFBPWRDSA-N 385.895 2.939 0 40 GFAB Cc1ccc(OCC2(O)CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1C 2037916196 USGXSKHWEGIXFW-UHFFFAOYSA-N 383.492 2.951 0 40 GFAB O=C1COC[C@]2(CN(Cc3ccc(F)cc3F)CCO2)CN1c1ccccc1 2037983675 BXMHKPQDQJQULS-NRFANRHFSA-N 388.414 2.599 0 40 GFAB CC(C)CCn1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 1079666 CQLGAQPKSADMMC-UHFFFAOYSA-N 376.844 2.926 0 40 GFAB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3C)c2=O)cc1 4033809 PXLJUFXHKQOVFZ-UHFFFAOYSA-N 385.807 2.749 0 40 GFAB COc1ccc(-c2noc(-c3nnn(-c4ccc(OC)c(OC)c4)c3N)n2)cc1 5043181 OQYLGTQLSLAOGP-UHFFFAOYSA-N 394.391 2.592 0 40 GFAB CCn1c(SCC(=O)NCc2ccco2)nc2c([nH]c3ccccc32)c1=O 5106513 WTZIEKIJAPKEHJ-UHFFFAOYSA-N 382.445 2.899 0 40 GFAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1C 10233777 ZBTZLIFEAUWKAD-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)cn1 2055837508 WLUNRGMIIJRTEK-IRLDBZIGSA-N 380.492 2.681 0 40 GFAB CCOc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 19830711 QBFCOIHPTGJJGR-IBGZPJMESA-N 379.460 2.539 0 40 GFAB COc1ccc(NC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1OC 22505730 SAWDFRFMGDMMHY-UHFFFAOYSA-N 391.449 2.888 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)cn3)C2)cc(=O)o1 206965773 QDIOZTCOEJZDMT-GOSISDBHSA-N 397.406 2.631 0 40 GFAB C[C@H](NC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2)no1)c1ccccc1 40070220 JGAZUDJVBZRJMI-AWEZNQCLSA-N 385.445 2.529 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20047474 BOFFZJVZOODVOI-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 40144992 ZRXPQTASSTXOEZ-UHFFFAOYSA-N 392.433 2.838 0 40 GFAB COc1cc2ncn(CC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(=O)c2cc1OC 100791428 VDERAWINFXGSAJ-PEBXRYMYSA-N 399.491 2.841 0 40 GFAB biogenic CCOC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1 899899 QCWNYPBFNFIXFM-HNNXBMFYSA-N 394.472 2.864 0 40 GFAB O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CC(=O)N(c2ccccc2F)C1 32860033 MUNZTFZFLASKLE-SFHVURJKSA-N 392.434 2.740 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2OC)cc1 6880255 PXAXDBXGLAWQEN-UHFFFAOYSA-N 390.505 2.633 0 40 GFAB C=CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 6961772 OJOZIBCYHHBEGH-LDADJPATSA-N 379.416 2.751 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 7979568 AJUDOCLQVYTOIV-UHFFFAOYSA-N 390.889 2.820 0 40 GFAB COc1ccc2oc(C(=O)OCC(=O)NC(=O)c3ccccc3OC)c(C)c2c1 23080093 NXYUDLNDMYVULC-UHFFFAOYSA-N 397.383 2.872 0 40 GFAB COC(=O)c1ccc(COC(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)cc1 24753089 BDVSTUPFTHXIPQ-GASCZTMLSA-N 384.432 2.839 0 40 GFAB COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(Cl)cc1 12406212 ICHCNARBKJBGSA-RRFJBIMHSA-N 379.844 2.547 0 40 GFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1ccc(F)cc1 25537778 QXOJQHVWXQRGOZ-SFHVURJKSA-N 381.407 2.583 0 40 GFAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCCCC1 107748721 TYEGOVPIBIXUTL-UHFFFAOYSA-N 394.537 2.997 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc21 25813324 WBLJOMCGYFAOLJ-GOSISDBHSA-N 384.505 2.819 0 40 GFAB COc1cc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c2c1OCO2 35326325 XWBDFUFOCGQUIW-LLVKDONJSA-N 395.367 2.715 0 40 GFAB O=C(CSc1nnnn1C1CC1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 70039856 XVBPPFISMYQPTM-DGCLKSJQSA-N 383.399 2.791 0 40 GFAB Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12515790 NIXHBPMNVIMGQO-UHFFFAOYSA-N 399.516 2.918 0 40 GFAB COC(=O)c1c(NC(=O)Cn2cnc3c(C)cccc3c2=O)sc2c1CCC2 57792017 DTJDVYYFMQWYEP-UHFFFAOYSA-N 397.456 2.680 0 40 GFAB CC1(C)OC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)O1 2113165 JVJHSMWQAIAXHW-IBGZPJMESA-N 392.455 2.760 0 40 GFAB biogenic CCN(CC(=O)Nc1cc(F)ccc1C)S(=O)(=O)c1cc(F)ccc1OC 20016041 CNEPKDAKPHSJRF-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB C[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1)c1ccccc1 11094102 WZAGZRMOIZTTMY-VQIMIIECSA-N 399.535 2.749 0 40 GFAB Nc1c(S(=O)(=O)c2ccccc2)nnn1-c1ccc(OC(F)(F)F)cc1 2461909 LELROFVPOBGJLC-UHFFFAOYSA-N 384.339 2.581 0 40 GFAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(=O)O)ccc1OC 12814293 OTLURJBFOWICFV-UHFFFAOYSA-N 377.418 2.544 0 40 GFAB Cn1c(SCCOc2cccc(Cl)c2)nnc1[C@@H]1CCS(=O)(=O)C1 12818499 KZPRKANYZNZKPO-LLVKDONJSA-N 387.914 2.542 0 40 GFAB O=C(Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 8392530 VOQFXNDIUNRWMH-UHFFFAOYSA-N 381.404 2.503 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccn2C)sc2c1CCC2 3512196 MLPXJLDMXAIHAS-UHFFFAOYSA-N 376.434 2.548 0 40 GFAB Cc1c2cnn(CN(C)Cc3cnn(-c4ccccc4)c3)c(=O)c2c(C)n1C 12979388 YSOJRLGQZVHULX-UHFFFAOYSA-N 376.464 2.627 0 40 GFAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20024399 RDORBCIAAKTFQG-HNNXBMFYSA-N 390.505 2.756 0 40 GFAB CNC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)ccc1Cl 64838003 QZSVWNJJXHLXCZ-UHFFFAOYSA-N 389.839 2.784 0 40 GFAB O=C(CN1CCN(CCOc2c(Cl)cccc2Cl)CC1)N1CCCC1 39987600 XJNPWVOAQJWRQX-UHFFFAOYSA-N 386.323 2.612 0 40 GFAB CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccs2)c(S(C)(=O)=O)c1 65513992 DWHISTGVYSBQKP-ZDUSSCGKSA-N 385.532 2.897 0 40 GFAB COc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@]2(O)C(F)(F)F)cc1 409356337 MKDLUQIJMNALEQ-KHIZAZIESA-N 386.370 2.959 0 40 GFAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)NCc1ccccc1Cl 4563322 BBMNKBJTNPNREU-UHFFFAOYSA-N 399.834 2.682 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCCC1)c1ccccc1 5444877 JOPIGJOJTVWIFC-FQEVSTJZSA-N 394.471 2.583 0 40 GFAB Cc1cccc(C)c1NC(=O)C[C@@H](CN1CCN(c2ccccn2)CC1)C(=O)O 61722098 RVJDLPAKDXKTAA-SFHVURJKSA-N 396.491 2.550 0 40 GFAB O=C(COC(=O)Cc1cccc2ccccc12)NCc1ccc2c(c1)OCO2 5505833 GSBMMFKJNBKSON-UHFFFAOYSA-N 377.396 2.971 0 40 GFAB COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1OC 5666112 MKNFFVCPVJRCRF-GFCCVEGCSA-N 387.388 2.545 0 40 GFAB CCCN1CCc2nc(SCC(=O)Nc3ccccc3OC)nc(O)c2C1 67291716 BFFNGMFRVDZMQN-UHFFFAOYSA-N 388.493 2.690 0 40 GFAB COC(=O)c1ccccc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCO2 8876688 FWXKQLMWTZCNSH-UHFFFAOYSA-N 383.809 2.699 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 7201160 KIQLMTTXVNYWDU-UHFFFAOYSA-N 385.372 2.847 0 40 GFAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCNC(=O)c1cnccn1 7871492 PPMQBFLPOLTBBB-HWKANZROSA-N 379.247 2.733 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 16479615 AFFCUDBXRJCSBF-LBPRGKRZSA-N 379.819 2.857 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 9835038 GEAXDHDZGPODAQ-UHFFFAOYSA-N 389.477 2.585 0 40 GFAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 19857112 CCVHCHGSFFDEOO-KRWDZBQOSA-N 388.489 2.876 0 40 GFAB CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(-c3csnn3)cc2)CC1 97095949 NAEAOUJZPXUXRK-UHFFFAOYSA-N 388.541 2.743 0 40 GFAB O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 84535998 MWJQWEJSDQAKFH-WOJBJXKFSA-N 395.503 2.799 0 40 GFAB CS(=O)(=O)CC1(CNc2nccc(Oc3ccc(F)cc3)n2)CCOCC1 95442233 IHVRYUAQTAYRIA-UHFFFAOYSA-N 395.456 2.661 0 40 GFAB CCOC(=O)C1=C(C)N=C(SC)N[C@H]1c1cc(OC)c(OC)c(OC)c1 408994692 ZQFRICGJOQXNQM-HNNXBMFYSA-N 380.466 2.913 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219498823 XFXAMCLGJJJCTI-CYBMUJFWSA-N 375.421 2.805 0 40 GFAB COC(=O)c1cc(CNC[C@H](c2ccc(OC)c(OC)c2)N(C)C)oc1C 39781113 UHCFYCDXZOXSMU-QGZVFWFLSA-N 376.453 2.784 0 40 GFAB CC1CCN([C@H](CNC(=O)c2cccc(CS(C)(=O)=O)c2)C(C)C)CC1 32914896 BLKIFVCQEKEFDX-LJQANCHMSA-N 380.554 2.718 0 40 GFAB COCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224304302 PUBVBQUONYVZJR-UHFFFAOYSA-N 390.505 2.895 0 40 GFAB Nc1nnc([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)s1 222645804 GCSCEVKKIDVCHX-MRVPVSSYSA-N 393.321 2.995 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 223998373 XCPCDFGWWVFRGQ-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224794256 LTRMQVHEVOVEFE-UHFFFAOYSA-N 393.461 2.689 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1C 222870366 XZHBEAUPYLJBFU-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB COc1ccc(C(=O)NCCCOC(=O)c2snnc2-c2cccnc2)cc1 223853296 CRIOBEKPFFKRHP-UHFFFAOYSA-N 398.444 2.586 0 40 GFAB CC1(C)CN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@H](C(F)(F)F)O1 575761328 NNCVSVYIEVTFLR-CYBMUJFWSA-N 383.374 2.900 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257317998 VMBUYTMSBMQTGI-FQEVSTJZSA-N 378.407 2.820 0 40 GFAB CN(Cc1oc(-c2ccccc2)nc1C(=O)O)[C@H]1CCCC[C@@H]1S(C)(=O)=O 652426020 BJMUKKLEMVSCGL-HOCLYGCPSA-N 392.477 2.827 0 40 GFAB CCc1cnc(O)c(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 666602631 AZKKOIGNSKBTDA-UHFFFAOYSA-N 387.867 2.530 0 40 GFAB CC(=O)N1CCCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccccc2F)CC1 585282116 AMWVIGGAXQRBJQ-SFTDATJTSA-N 389.515 2.632 0 40 GFAB O=C(Cc1cccc(F)c1F)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 585100923 GJNMBPAXRPRHAT-OAQYLSRUSA-N 385.414 2.948 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)nn1C1CCCCC1 578609333 DMIOHLNIAAMVCF-NVXWUHKLSA-N 386.500 3.472 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)N3[C@@H](C)CCC[C@H]3C)C2)cc(OC)c1OC 5030918 NSTZUTOUKFVZJS-JCGVRSQUSA-N 376.453 2.995 0 40 GFAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@@H](C[C@H]21)[C@](O)(C(C)C)[C@H]3O 5104528 HRQUJKIMIXCOBO-PIGALZIESA-N 380.525 2.919 0 40 GFAB O=C1NC2(CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)Nc2ccccc21 12117908 DECHSRUHBBSUKW-UHFFFAOYSA-N 394.475 2.663 0 40 GFAB Cc1nc(C)n(CCNC(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)n1 12144025 HAMXTWCYAASAKJ-UHFFFAOYSA-N 392.438 2.867 0 40 GFAB O[C@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 12292573 YTDVWPKJDIMCDL-HXUWFJFHSA-N 381.472 2.921 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)c1C 12549931 AXBNVBYMSMJRQO-UHFFFAOYSA-N 399.472 2.725 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19236989 HPUXACWYEUDBLN-AYMMHLMVSA-N 396.418 2.516 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1)c1ccc2c(c1)CCCO2 19458847 NYQKBGRPMYVAJC-DNVCBOLYSA-N 379.460 2.633 0 40 GFAB CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 19706189 DPUOMOUSBJYABQ-IBGZPJMESA-N 392.507 2.544 0 40 GFAB O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H](c1ccc(F)cc1)N1CCOCC1 19717100 YEZYEGGCOIVQTE-SFHVURJKSA-N 381.411 2.623 0 40 GFAB CS(=O)(=O)N1CCc2cc(NCc3cc(-c4ccccc4)c[nH]c3=O)ccc21 12144090 ZVLVFYGIHKVHGV-UHFFFAOYSA-N 395.484 2.976 0 40 GFAB CSc1ncc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)cn1 12142993 KCQZENZQHDUYKM-UHFFFAOYSA-N 384.509 2.803 0 40 GFAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCCc2sc(Cl)cc21 553829484 YZDVWGRBMNTCRS-LBPRGKRZSA-N 376.869 2.782 0 40 GFAB Cc1nc(N2CCN(c3ncnc4c3CCCC4)CC2)cc(C(F)(F)F)n1 575615352 DKCALFVQIOSTLK-UHFFFAOYSA-N 378.402 2.799 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CCC(COc2ccc3nccn3n2)CC1 1888909462 VNMSIRMDGAJGPH-OAQYLSRUSA-N 392.459 2.661 0 40 GFAB COc1ccc2c(C)cc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nc2c1 1889151954 WTWVGJCTKXHEFB-CQSZACIVSA-N 375.494 2.602 0 40 GFAB COC(=O)c1oc(CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1C 31609183 XEBRYGXMGXCGJC-SFHVURJKSA-N 378.331 2.620 0 40 GFAB CCn1cc(CN2C[C@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)cn1 1565541635 JBPDYLLVZSJWEE-GOSISDBHSA-N 376.545 2.684 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940795 PWGKJELHVISNNS-LLVKDONJSA-N 378.837 2.820 0 40 GFAB Cn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(S(C)(=O)=O)ccc21 6422798 OVMFCEIEEFGNDD-CISOLSRFSA-N 378.500 2.846 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9039329 CFXRZCBONXLIAL-INIZCTEOSA-N 383.448 2.556 0 40 GFAB Cn1cnc(N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)cc1=O 1775971660 SJIOXJZJEDTOKG-UHFFFAOYSA-N 377.448 2.533 0 40 GFAB O=C(OCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 100179113 RSGURPYXAJJYPG-IHFIDZABSA-N 393.414 2.851 0 40 GFAB CCCc1nnsc1C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831540 SKPNWJNFKZPKBB-OAHLLOKOSA-N 397.497 2.632 0 40 GFAB O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc[n+]([O-])c1 40112601 RSGKJVPIQYMXIY-LJQANCHMSA-N 379.485 2.911 0 40 GFAB Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100557660 WDTQHPVAXAGVJS-LPBINRMYSA-N 395.455 2.553 0 40 GFAB O=C(Cc1noc(C(=O)NCCc2c[nH]c3ccccc23)n1)Nc1ccccc1 32124468 OCZILTOERPUAEB-UHFFFAOYSA-N 389.415 2.705 0 40 GFAB biogenic CSc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)n2)cc1 101711481 AHLKAQMSOXXSMX-BHYGNILZSA-N 381.501 2.961 0 40 GFAB CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 2630983 YOOJIDFDROOZFJ-GOSISDBHSA-N 383.448 2.918 0 40 GFAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccnn3C3CCCC3)n2)cc1 32789501 WSMBZATWFXLYKG-UHFFFAOYSA-N 381.440 2.689 0 40 GFAB CCOC(=O)CNC(=O)[C@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc(C)cc1 6756253 UWQFDDQZHMMAOX-ZVQQDINOSA-N 392.455 2.863 0 40 GFAB COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCOc3ccccc32)CC1=O 7268729 KLYUVQPDKVLCTK-NVXWUHKLSA-N 380.444 2.997 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 7940182 CZOVMSMBKYSOMF-MRXNPFEDSA-N 386.448 2.552 0 40 GFAB Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4nn(C)c(C)c4Cl)nc3c12 2790344 XJDRLGSQMIGGET-UHFFFAOYSA-N 389.872 2.712 0 40 GFAB O=C(c1ccc(F)c(F)c1)N1CCN(Cc2nncn2-c2ccccc2)CC1 77197319 BIGHBXNYJOBGTC-UHFFFAOYSA-N 383.402 2.504 0 40 GFAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1nc2ccccc2[nH]1 22315682 PPPOKFMYWNBWOQ-KWJFTMPMSA-N 394.519 2.943 0 40 GFAB O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)COCc1cccs1 24085494 OVQHDVFRTGUJIK-CQSZACIVSA-N 375.471 2.988 0 40 GFAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NC(C3CC3)C3CC3)cc(C3CC3)nc21 24465566 AUBCNFHFLPWVIY-UHFFFAOYSA-N 396.491 2.537 0 40 GFAB O=C1[C@@H]2OC[C@H](O2)[C@@H]2[C@@H]1[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc(F)cc1 100244496 YANFNRSMJXESCV-RKSXXNKWSA-N 391.398 2.975 0 40 GFAB biogenic,in-vitro COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)N4CCCN4[C@H]3C2=O)cc1 102680978 IVURGWXIBVBMFH-VAMGGRTRSA-N 377.444 2.539 0 40 GFAB O=C(NCCc1cn2ccccc2n1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 25528333 OVFAWQJNOPVJGW-KRWDZBQOSA-N 391.475 2.937 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1ccccc1 12542299 AUSLVXGGDMBGEW-UXHICEINSA-N 378.476 2.640 0 40 GFAB Cc1cnc(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)cn1 54594972 CNVDPKZVWUSZED-SNVBAGLBSA-N 378.226 2.810 0 40 GFAB Cc1nn(Cn2ccc(C(=O)Nc3ccccn3)n2)c(C)c1Br 27973300 GHDGKBQLFPYUEF-UHFFFAOYSA-N 375.230 2.612 0 40 GFAB C[C@H](OC(=O)c1nccnc1N)C(=O)N(Cc1ccccc1)Cc1ccccc1 10140698 GUWSHICUQOHBAL-INIZCTEOSA-N 390.443 2.833 0 40 GFAB COc1cc(NC(=O)CNc2ccccc2CN2CCOCC2)cc(OC)c1 58157838 DYSWTBONGDOHDU-UHFFFAOYSA-N 385.464 2.587 0 40 GFAB Cc1cccc2nc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cn12 12627673 DMSGQBYDCAGUNI-OAHLLOKOSA-N 378.432 2.804 0 40 GFAB CN(C)S(=O)(=O)c1ccc(COc2ccc(NC(=O)c3ccco3)cc2)o1 36360534 RXSDWIZXJZTCIP-UHFFFAOYSA-N 390.417 2.954 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O 2360292 HFHJWEBSFFZECF-UHFFFAOYSA-N 398.415 2.589 0 40 GFAB COc1cccc(C(=O)NCC(=O)NCc2ccc3cc(OC)ccc3c2)c1 11125625 USLJBIJJAMMFJZ-UHFFFAOYSA-N 378.428 2.903 0 40 GFAB C/C=C/c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc(OC)c1OC 12751460 SYVHKYLLTWNGRE-UKTKYZJWSA-N 380.444 2.789 0 40 GFAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 12942861 NAKFXZPLRPPGSS-VXGBXAGGSA-N 384.548 2.813 0 40 GFAB CCc1c(C)nc2n(c1=O)CN(C[C@H]1CCCO1)CN2c1ccccc1OC 38830104 HBBAXIJVFNBLDZ-MRXNPFEDSA-N 384.480 2.670 0 40 GFAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C)nc4)CC3)n2)cc1 22416709 WEBYEXLJDHQSOL-UHFFFAOYSA-N 377.448 2.706 0 40 GFAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccnc1SCc1ccc(F)cc1 49651837 CLJQUKGVRGODSV-CQSZACIVSA-N 394.493 2.678 0 40 GFAB O=S(=O)(c1cccc(Br)c1)N1CCN(c2ccccc2)CC1 5120537 DCKLWLFQNLOQLB-UHFFFAOYSA-N 381.295 2.960 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1C 5184530 ZISMUVUKPBPCCR-CQSZACIVSA-N 379.416 2.574 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)CCn3c(=O)n(C)c4ccccc43)ccc12 14054003 FIUAYWSIBWUGOE-UHFFFAOYSA-N 377.400 2.784 0 40 GFAB C[C@H](CNC(=O)[C@H]1COc2ccccc2C1)N1CCN(c2ccccc2)CC1 65566765 MTVODHQXOUNYBI-UYAOXDASSA-N 379.504 2.565 0 40 GFAB C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(S(C)(=O)=O)cc1 14123055 BOTOIBZVYRMFEJ-DIFFPNOSSA-N 379.865 2.924 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(N)=O)cc2)cc1 14198594 IMPHTESINXHGBB-CYBMUJFWSA-N 382.416 2.808 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 14251296 XILSWVKNMJTPKL-AWEZNQCLSA-N 388.395 2.594 0 40 GFAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 14215438 XZBSFYQHJPPDMJ-QGZVFWFLSA-N 386.427 2.531 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 20798772 OJGMLHHMKWWIRJ-CQSZACIVSA-N 399.274 2.900 0 40 GFAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC 6641430 ZCNONBBQYXFMOA-UHFFFAOYSA-N 386.429 2.668 0 40 GFAB O=C(NCC(=O)N1CC[C@H](N2CCCC2)C1)c1sc2ccccc2c1Cl 66144296 VGTUFRBULVSFJG-ZDUSSCGKSA-N 391.924 2.981 0 40 GFAB Cc1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(O)c1 14848852 QTHLALAPYHCYKZ-UHFFFAOYSA-N 379.342 2.955 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2OC)c1 14869886 VNSIWWIQXHQFDE-UHFFFAOYSA-N 390.505 2.998 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7130293 QSSOMCPOSIJUGD-SECBINFHSA-N 380.495 2.861 0 40 GFAB CC(C)c1noc(CCNC(=O)[C@@H]2CCCN2c2ncnc3sccc23)n1 68162501 UWAUNKHPWAXHDA-ZDUSSCGKSA-N 386.481 2.525 0 40 GFAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1C 7676087 NVWXPZAMJOIKQT-ZDUSSCGKSA-N 397.431 2.589 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](C)c3ccccc3)C2=O)cc1 7653752 BPOISKXQJOLYRY-AOMKIAJQSA-N 379.460 2.682 0 40 GFAB O=C(CSc1ccc(Br)cc1)NCc1nnc2ccccn12 7898711 PNLCSTGPFVFPKX-UHFFFAOYSA-N 377.267 2.900 0 40 GFAB COc1ccc(NC(=O)C[C@]2(NC(C)=O)C(=O)N(C(C)C)c3ccccc32)cc1 9183869 PGHJYRBJSAUOOD-JOCHJYFZSA-N 395.459 2.810 0 40 GFAB COc1cc(CC(=O)N2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC 16724156 MEDZGHVAKKJBMA-UHFFFAOYSA-N 384.476 2.912 0 40 GFAB CS[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)C[C@@H]1N1CCCC1 95939734 UWLKEOOALBEPSH-DQEVTTJGSA-N 387.549 2.933 0 40 GFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 409105962 PUJSQXJYBYTXFT-OTIXFSKASA-N 385.825 2.955 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)cc1F 38733404 SMJYYSTYPMYEEV-VQHVLOKHSA-N 384.451 2.996 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccnn1C)N(C(=O)c1cccnc1)CC2 72342698 SQAWTKXTUUPJEJ-HXUWFJFHSA-N 378.432 2.620 0 40 GFAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)c1 72359021 BXLNDLUOJAGART-MRXNPFEDSA-N 390.447 2.845 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 72360781 PWHQAXSOHBXGLD-QGZVFWFLSA-N 383.477 2.970 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224917895 NZUZCXQAPKJYOO-CQSZACIVSA-N 392.477 2.887 0 40 GFAB CN(CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1)S(C)(=O)=O 46127057 OXMVCFANBJYMBC-UHFFFAOYSA-N 381.523 2.938 0 40 GFAB COc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CC2)c(OC)c1 225939910 SGNMXBHDFPENPY-UHFFFAOYSA-N 390.461 2.641 0 40 GFAB O=C(Cn1ccc2c(Br)cccc21)NCCCN1CCCC1=O 40266677 CVTQZIXHONVCON-UHFFFAOYSA-N 378.270 2.533 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2 40157581 BVWQFRGQZSEXBB-KRWDZBQOSA-N 398.459 2.854 0 40 GFAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@@H](C)C2)n1 225879379 XRFLANJVVZRCMX-LLVKDONJSA-N 375.527 2.570 0 40 GFAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)NC(C)C 223786518 KXLJRLNMFWQOQP-AWEZNQCLSA-N 388.489 2.973 0 40 GFAB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1NS(C)(=O)=O 225040807 WIUBEMGLOCQUAM-UHFFFAOYSA-N 391.474 2.532 0 40 GFAB CCOc1ccccc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223345747 YQXXTORADWUBHX-UHFFFAOYSA-N 382.825 2.984 0 40 GFAB CC(C)Oc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 225688575 RTGDUINAGMLNFZ-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB Cc1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cn1-c1ccccn1 96266832 LHHOAWOPBUZYES-UHFFFAOYSA-N 388.475 2.787 0 40 GFAB O=C(O)C[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 238202847 IBHSEHBLELEPLY-IBGZPJMESA-N 380.444 2.871 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccc(N3CC[C@H](OC)C3)cc2)CC1 252509254 YIOGSOGHFOFFRQ-FQEVSTJZSA-N 395.503 2.883 0 40 GFAB CCN1CCN(C(=O)c2cccnc2Nc2ccccc2F)C[C@]12CCOC2 1615589302 NZJNVORRAARGQW-NRFANRHFSA-N 384.455 2.901 0 40 GFAB C[C@H](NC(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccc2c(c1)CCCO2 667427837 RTUCUTHNRVHCMX-FSUSKTIASA-N 394.515 2.881 0 40 GFAB Cc1cc(NC(=O)N2CCC[C@@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)no1 682737584 FLSBAESNTBXLSJ-CQSZACIVSA-N 394.435 2.679 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3cc(Cl)ccc3OC)C2)cc1 96377864 LKHZKNXISGDITG-UHFFFAOYSA-N 395.864 2.656 0 40 GFAB O=C(COCc1ccccc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111493 BTNRYEGCJDGBED-OAQYLSRUSA-N 391.471 2.878 0 40 GFAB COc1ccccc1[C@@H]1[C@H](N2CSCC2=O)C(=O)N1CCc1ccccc1 58266633 BKKUSWJCCHMBDY-UXHICEINSA-N 382.485 2.723 0 40 GFAB CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 58245733 OBYKHPJMWCBELV-UHFFFAOYSA-N 376.453 2.931 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2nccs2)CC1 57484039 UWYOJAPFLLTXQQ-UHFFFAOYSA-N 380.901 2.874 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCC(=O)O)cc2)cc1C(=O)O 72312984 NYQAJJPOBXFRDT-UHFFFAOYSA-N 391.401 2.542 0 40 GFAB CCn1nc(C)c(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1C 1615160465 RJXOKBJAOOXYJL-JOCHJYFZSA-N 396.491 2.558 0 40 GFAB COC(=O)[C@H](C)Sc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12 5151340 SLGGMIYIINSPNE-VIFPVBQESA-N 388.840 2.770 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccco1 13119646 LLMCSVADIUGYFL-UHFFFAOYSA-N 399.428 2.740 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 14022820 GAXAFRDTGMLZBC-INIZCTEOSA-N 388.489 2.759 0 40 GFAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCC1 16479083 JTBWGPSRZUSEBR-UHFFFAOYSA-N 386.517 2.933 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)c2ccccn2)C1 19399961 MNKQBGLIXCZWOC-CYBMUJFWSA-N 378.407 2.888 0 40 GFAB O=C(NC1(c2ccccc2)CCCC1)c1ccc(=O)n(CC(=O)N2CCCC2)c1 19745721 YMSUEEGRNHYARE-UHFFFAOYSA-N 393.487 2.670 0 40 GFAB N#C/C(=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NC1CC1 7098527 XYTGUCMWDKBDPK-FOWTUZBSSA-N 376.460 2.839 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)c2ccc(Br)o2)cc1 3307446 MXZDTOYFXVGYLE-UHFFFAOYSA-N 382.210 2.566 0 40 GFAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)nc1 1889214620 UXEQNDIRCTZZIA-LJQANCHMSA-N 376.464 2.712 0 40 GFAB CCCOc1c(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cccc1OC 2037984048 OKBCCKMZDZHVCN-NRFANRHFSA-N 376.497 2.697 0 40 GFAB O=S1(=O)CC[C@@H](CCN2CCC3(CC2)CCN(Cc2ccccc2)C3)C1 677819603 DTOYPBCFUTXILF-HXUWFJFHSA-N 376.566 2.799 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(C)=O)cc2)n1 5396983 QZEJUGZUFRIOCY-UHFFFAOYSA-N 377.400 2.760 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3sc(C)nc3C)n2)cc1 13796163 JFGAOLCAZXOXIE-UHFFFAOYSA-N 398.488 2.812 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NC4CCCCCC4)cn(C)c3c2=O)cc1 17052034 LWUUCTFPFXNWQU-UHFFFAOYSA-N 394.475 2.779 0 40 GFAB Cc1cc(OCC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)ccn1 1775971474 PCBVAOBOZMNGTR-UHFFFAOYSA-N 381.432 2.616 0 40 GFAB COc1ccc(CNC(=O)CCCCCn2nnc3ccccc3c2=O)cc1 575616612 SZFVVDHHYBHDJM-UHFFFAOYSA-N 380.448 2.677 0 40 GFAB Cc1cc(C)c2c(=O)n(Cc3cn4ccccc4n3)c(=O)n(-c3ccccc3)c2n1 20353589 OXMPFJXZTSBEPR-UHFFFAOYSA-N 397.438 2.860 0 40 GFAB CC(=O)Nc1ccc(OC[C@H](O)CSc2nncn2-c2ccccc2)cc1 32322964 KWFCBWGIGZNTCZ-KRWDZBQOSA-N 384.461 2.758 0 40 GFAB O=C1CN(C(=O)COc2ncnc3sc4c(c23)CCCC4)c2ccccc2N1 2652872 JNHVEBFVXGVKTH-UHFFFAOYSA-N 394.456 2.934 0 40 GFAB COc1cccc(-n2c(SCC(=O)NC3CC3)nnc2-c2ccccn2)c1 1362736 NSXURPBBBMKTEF-UHFFFAOYSA-N 381.461 2.709 0 40 GFAB COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 4740131 ICHCNARBKJBGSA-ILXRZTDVSA-N 379.844 2.547 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 6946795 FZEROQYFYHXRSL-ZDUSSCGKSA-N 390.933 2.958 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)NC3(c4noc(C)n4)CCCC3)CC2=O)cc1 32901908 ZHPMIBFHYOUYRQ-HNNXBMFYSA-N 398.463 2.715 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 32978443 FCXZJZJEVLVBJR-UHFFFAOYSA-N 397.431 2.647 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1 21844049 TUFJXENNWRWFFP-OAHLLOKOSA-N 375.446 2.900 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)NCCOc2ccc(C)cc2C)ccc1Cl 8389522 VVSVJRQSMNSTOH-UHFFFAOYSA-N 396.896 2.674 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 103094894 VMGCHNSHKAQNLW-KRWDZBQOSA-N 378.538 2.818 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1 52936939 PUMRSPQLGQIZAT-UHFFFAOYSA-N 379.416 2.992 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)c(Cl)c1 22725848 JBHGSSOIOQRYIX-UHFFFAOYSA-N 383.835 2.908 0 40 GFAB CCOC(=O)N1CCC(NC(=O)Nc2cccc(COCCOC)c2)CC1 47590455 JCMHWULVRXBYMR-UHFFFAOYSA-N 379.457 2.592 0 40 GFAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccn2)CC1 23762608 JXTNXUAGLBDGMU-UHFFFAOYSA-N 386.304 2.895 0 40 GFAB C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2 54910501 PBOAUSMBLVJOQS-LLVKDONJSA-N 376.359 2.691 0 40 GFAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)CN1CCOCC1 12520408 KFYFJOPULOWEAZ-ROUUACIJSA-N 381.476 2.869 0 40 GFAB Cc1cc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)ccc1Cl 12515595 DTXNNZBBNZCFRX-UHFFFAOYSA-N 381.885 2.772 0 40 GFAB COC(=O)C1CCN(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)CC1 3296876 RBFFIOAUFIAZEV-UHFFFAOYSA-N 398.246 2.727 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1C 3297810 HJSLVTHOEHZQLP-LBPRGKRZSA-N 384.432 2.943 0 40 GFAB CC(=O)Oc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 27022013 HAPXFMYVFQKHPJ-UVBRKHIMSA-N 395.465 2.856 0 40 GFAB CC(C)Oc1cccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](C)C(=O)O)c1 12655981 GEJWWGWCXLOLAA-DQPIFXJKSA-N 396.443 2.834 0 40 GFAB biogenic CNC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C 24178291 PLVQHHMUZCSQLQ-UHFFFAOYSA-N 376.460 2.974 0 40 GFAB C[C@H]1Oc2ccccc2N(CC(=O)NC(C)(C)c2noc(C(C)(C)C)n2)C1=O 58357608 SIGJGVNCHVPLHP-GFCCVEGCSA-N 386.452 2.533 0 40 GFAB C[C@@H](NC(=O)c1cncc(Br)c1)c1cccc(NS(C)(=O)=O)c1 36394238 MDVPMKHBANIQOQ-SNVBAGLBSA-N 398.282 2.707 0 40 GFAB Cc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c(C)c1 20236705 FQIIZSXKSASNQX-UHFFFAOYSA-N 392.546 2.978 0 40 GFAB Cn1ccs/c1=N\C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 45611820 AJWUXFIALLSHHA-SLNYWTKHSA-N 379.441 2.770 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 29085645 UWINVPVTJFJVDG-ZWKOTPCHSA-N 379.391 2.547 0 40 GFAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1ccccc1 3530088 VKSLFMMQCIREDD-SFHVURJKSA-N 392.411 2.803 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)[C@H]1CCCO1 12973012 FOSNMBLWBMCOEN-SMDDNHRTSA-N 384.274 2.563 0 40 GFAB CCCSc1n/c(=N\C(=O)CN(C)Cc2cccc(OC)c2OC)s[nH]1 8744817 HIXKEDJNDVVXKA-UHFFFAOYSA-N 396.538 2.550 0 40 GFAB CN1CCN(CCc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 38748244 ONLKGTCXQZLCDL-UHFFFAOYSA-N 377.492 2.616 0 40 GFAB O=S(=O)(Nc1cccc(O)c1)c1ccc(I)cc1 6235048 YDJDFCRJWLJDKT-UHFFFAOYSA-N 375.187 2.798 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)NCc2ccc(F)cc2)cc1 5279279 YBLZMAJXOXOVIZ-ACCUITESSA-N 376.453 2.731 0 40 GFAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C 4512238 LTAQTXWISYBHFG-MSOLQXFVSA-N 392.521 2.884 0 40 GFAB COCCCn1c(C)cc(C(=O)COC(=O)c2ccccc2NCCO)c1C 9162842 IRZWYGWBPCZNCW-UHFFFAOYSA-N 388.464 2.585 0 40 GFAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022114 HLHRORSILUDCPX-DBHZFRFHSA-N 389.883 2.515 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 7872109 PVSSVIQXNSQTGA-NSHDSACASA-N 396.852 2.862 0 40 GFAB Cc1c(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)oc2ccc(F)cc12 8073242 ZZTQRYNYSQGDNC-HUUCEWRRSA-N 395.452 2.689 0 40 GFAB CC[C@@H](C(=O)Nc1nc2ccccc2s1)n1c(=O)[nH]c2ccccc2c1=O 17045799 NKMOXTLAMXPZKF-AWEZNQCLSA-N 380.429 2.889 0 40 GFAB O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9875070 QXWGMIXVNHIHQG-FQEVSTJZSA-N 399.516 2.854 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1nc(-c2nc[nH]n2)no1 78899240 UXLVVWGNSVEFAT-VIFPVBQESA-N 384.425 2.818 0 40 GFAB COc1cc(CN[C@@H](C(N)=O)C(C)(C)C)ccc1OCc1c(C)noc1C 97162401 QGNYYZJTVXNOTM-SFHVURJKSA-N 375.469 2.869 0 40 GFAB CNC(=O)c1cccc(CNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 95953700 XTKSLSQEQIMBMG-HXUWFJFHSA-N 399.466 2.841 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)CCNC(=O)c1ccccc1Cl 9950413 KQULJZINDXNNHN-UHFFFAOYSA-N 387.867 2.777 0 40 GFAB Cc1ccccc1-n1ncc(C(=O)N2CCN(c3ncccn3)CC2)c1C1CC1 29739030 WZNHGIULIGCJJV-UHFFFAOYSA-N 388.475 2.811 0 40 GFAB Cn1c(=O)c2c(SCc3cccc(F)c3)nc(C(C)(C)C)nc2n(C)c1=O 22699340 MZOKRTNKECBHGN-UHFFFAOYSA-N 388.468 2.756 0 40 GFAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408684570 NURASCVSFZWJDK-ILRDRHFLSA-N 375.428 2.800 0 40 GFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20038492 MHKOMYDUWYJVBB-MJGOQNOKSA-N 380.554 2.966 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 408700515 HGGGAIQMMKPTLN-UHFFFAOYSA-N 391.468 2.550 0 40 GFAB COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)n[nH]2)cc1 524730426 IWJSATFGNIXHHX-IIMJZQEZSA-N 394.475 2.558 0 40 GFAB biogenic COc1ccccc1OCCNC(=O)COc1cccc(NC(=O)C2CC2)c1 32817801 FVUYHGKRAVTUAT-UHFFFAOYSA-N 384.432 2.618 0 40 GFAB Cc1cccc(CN2CC(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 36080520 YRTYJCNVTCQGAG-LEWJYISDSA-N 398.528 2.626 0 40 GFAB CCc1ncc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)cn1 72339397 IMXOEVBKBBQWFY-UHFFFAOYSA-N 390.447 2.914 0 40 GFAB O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)N1CCc2cc(Cl)ccc21 36752173 YTSNFGGCZHMRLJ-HNNXBMFYSA-N 375.856 2.872 0 40 GFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225202141 FCMBYWHVKGVMMF-RYUDHWBXSA-N 376.906 2.664 0 40 GFAB Cc1csc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)n1 223417425 JWBYCCWOKPCIRR-AWEZNQCLSA-N 395.431 2.860 0 40 GFAB CC(C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 80331738 YSBNCGOKNRHUOW-GFCCVEGCSA-N 387.311 2.738 0 40 GFAB Cc1ccc(C)c(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)N(C)C)c1 44948444 JKXQHFBWPMBNTN-UHFFFAOYSA-N 381.542 2.707 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1 224111012 SWNAQVBJNGUITO-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 224007518 XDJAKPMHOFPXBS-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB COc1ccc(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 224694239 GVOLUAXOLFAEPO-UHFFFAOYSA-N 380.510 2.858 0 40 GFAB CCc1ccc(OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 223705429 MAYBAWNSVJZFDY-INIZCTEOSA-N 390.505 2.599 0 40 GFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCOC 223193213 HZFIVAYNGDUJFF-FQEVSTJZSA-N 386.467 2.938 0 40 GFAB CN(Cc1ccccc1)C(=O)CCCC(=O)N1CCN(c2ccccn2)CC1 95478534 ISHYLRGUPDZZPI-UHFFFAOYSA-N 380.492 2.559 0 40 GFAB COc1cc(=O)n(CC(=O)Nc2nccs2)nc1-c1ccc(Cl)cc1 96100882 QPWZMOIVVUXZNP-UHFFFAOYSA-N 376.825 2.668 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(F)cc1 242504211 BVCYNTPMQHNHSL-UHFFFAOYSA-N 384.860 2.557 0 40 GFAB Cc1cc(N2CC3(CCCCC3)OC2=O)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257320046 VVCOPTJGNQKMRA-AWEZNQCLSA-N 394.497 2.541 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257270856 MVXOQHREEHEFPP-AWEZNQCLSA-N 383.901 2.905 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2ccn(C)n2)C1 257329277 XJDYGICVASPXDH-MRXNPFEDSA-N 395.511 2.928 0 40 GFAB CCC1(CC)C[C@@H](NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 260772492 YVXVBGSNMSLPSW-DOTOQJQBSA-N 394.537 2.857 0 40 GFAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 623129892 HPZZNTJTWOQRIN-IAGOWNOFSA-N 399.426 2.586 0 40 GFAB CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(N2CCOCC2)ncn1 631556856 YFPPMNYMYVZANF-LJQANCHMSA-N 386.471 2.792 0 40 GFAB Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(S(C)(=O)=O)c1 653546607 KWATYSPIQUXWOD-FRRDWIJNSA-N 382.482 2.655 0 40 GFAB CC(C)(C)n1nnc(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 665862815 MYDQPILPXQDSQI-HXUWFJFHSA-N 389.463 2.753 0 40 GFAB CCC(CC)N1C[C@H](C(=O)N2CCN(c3ccc(F)cc3OC)CC2)CC1=O 604252950 VIOXHCCICGFMDD-OAHLLOKOSA-N 391.487 2.520 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NCc1nc(C2CCOCC2)no1 575606611 KQIUJQICSBBCBB-UHFFFAOYSA-N 386.235 2.966 0 40 GFAB Cc1cc(CN2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)n(C)n1 585099843 HOGHFQVSAUAQEM-NRFANRHFSA-N 385.512 2.881 0 40 GFAB CCC1(CC)CCC(NC(=O)NC[C@H]2OCCN(C)[C@@H]2c2cnn(C)c2)CC1 1615210853 RWUHHVURZYKEFE-RTBURBONSA-N 391.560 2.840 0 40 GFAB O=C(COc1ccccc1Cl)NC[C@H](c1cccs1)N1CCOCC1 13012363 JSUCIRNWQLBONN-OAHLLOKOSA-N 380.897 2.970 0 40 GFAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19209589 KRHZZUDSAKQNSB-FQEVSTJZSA-N 394.519 2.751 0 40 GFAB CN(C[C@@H]1OCCc2ccccc21)C(=O)COC[C@@H]1COc2ccccc2O1 19586050 LVMHINAQNHCGMV-UTKZUKDTSA-N 383.444 2.615 0 40 GFAB NC(=O)c1[nH]c([C@H]2CCCN(C(=O)c3cccnc3)C2)nc1-c1ccccc1 19703752 AERWEZVIUBPHQR-INIZCTEOSA-N 375.432 2.590 0 40 GFAB COc1cccc2cc(CN3C[C@@H](NC(C)=O)CC34CCN(C(C)=O)CC4)oc12 19704133 CAYZDYSAOALQRS-SFHVURJKSA-N 399.491 2.533 0 40 GFAB COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)cc1 1471628 FWNBZZFCIXXZPJ-OAHLLOKOSA-N 379.368 2.669 0 40 GFAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2cnccn2)n1C)c1ccccc1 155616373 QJJZOKJVWGJACB-MRXNPFEDSA-N 382.493 2.974 0 40 GFAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CC3=CCCOC3)CC2)nn1C 100687634 DHYVXMABIDGJFU-PUZFROQSSA-N 388.556 2.951 0 40 GFAB CCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCC1 408696639 CYNHBHQDMIXSIW-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H]([C@@H](NC(C)=O)c3nccs3)C2)cc1 12157983 DLRGSQODESOYHU-VQIMIIECSA-N 387.505 2.810 0 40 GFAB O=C(c1ccn(CCn2cccn2)n1)N1CCCc2c([nH]c3c(F)cccc23)C1 556301892 ZCNJGEIIPAUITF-UHFFFAOYSA-N 392.438 2.989 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)NCc1nnc2c(C(F)(F)F)cccn12 238818661 CBVQKVGMJASSNC-UHFFFAOYSA-N 388.346 2.507 0 40 GFAB COc1ccc(CN2CCO[C@]3(COCC(=O)N(c4ccccc4)C3)C2)c(C)c1 2037984096 PWQWXUVIRWJTNE-HSZRJFAPSA-N 396.487 2.638 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)c(C)n23)n(C)c1=O 4370531 BPLSFUSQNFJAPN-UHFFFAOYSA-N 395.463 2.564 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864331 BFEUQNPVARXCNN-QGZVFWFLSA-N 391.924 2.971 0 40 GFAB Cc1ccc(CNC(=O)C(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 9737986 SQIFUJSIPPCKEA-CQSZACIVSA-N 377.444 2.646 0 40 GFAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCc4ccc(F)cc4)cc1c32 9738022 OVIAFJUHAXVUJU-ZDUSSCGKSA-N 395.434 2.519 0 40 GFAB COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1OC 16971786 WGUAVLCCUFYUIP-UHFFFAOYSA-N 391.489 2.731 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@@H](c1ccsc1)n1cccn1 575612725 CEQWFXLWVUNWJH-INIZCTEOSA-N 383.445 2.932 0 40 GFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1cccs1 13010401 KTVARZAYBPIFFZ-UHFFFAOYSA-N 390.538 2.791 0 40 GFAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(O)CC3)c(O)n2n1 22855183 DISCLUZANWXAFN-HNNXBMFYSA-N 376.457 2.744 0 40 GFAB COC(=O)CCC(=O)Oc1ccc2c(OC(=O)CCC(=O)OC)cccc2c1 1456331 DXNAPSISBVAENO-UHFFFAOYSA-N 388.372 2.557 0 40 GFAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 40154181 PNWZKCBOBIMSDP-CYBMUJFWSA-N 390.490 2.564 0 40 GFAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3N3CCCN23)cc1 100736017 VIWZXRJBDUVHCE-ZCNNSNEGSA-N 377.444 2.539 0 40 GFAB Cn1c(SCC(=O)N2CCCCC2)nc2sc3c(c2c1=O)CCCC3 3531932 UIAUSMUGZYVKGE-UHFFFAOYSA-N 377.535 2.978 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)S(C)(=O)=O)CC2 3635555 SBNAZRKADOUSFT-SFHVURJKSA-N 375.446 2.816 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 4943912 OVZOYHDFXPVLCK-UHFFFAOYSA-N 386.433 2.516 0 40 GFAB Cc1cccc(CCN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1 4964927 ASWDEHRIRWWREN-UHFFFAOYSA-N 386.521 2.980 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H]1CCCCC1=O 6205534 VRZAPVSKWSKRHU-SFHVURJKSA-N 379.478 2.838 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)c(C)c2)cc1 7361855 BWITULIKGSHXEJ-UHFFFAOYSA-N 392.477 2.708 0 40 GFAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1nnc(C)o1 7604734 VCRVBRXXVAFYNV-UHFFFAOYSA-N 375.454 2.890 0 40 GFAB CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 8600748 XCOBTWWHPGYUNU-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 686849 FUEGSSCIUQGDIS-UHFFFAOYSA-N 390.505 2.557 0 40 GFAB CCCCN(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 22415375 HCNACDOKZOLITH-UHFFFAOYSA-N 384.406 2.618 0 40 GFAB COc1ccc(OCCN2CCN(C(=S)N[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 103345265 UXGQLPXJZZCQBY-HLIPFELVSA-N 389.565 2.755 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1C 24968273 AOQURMVWMFYXLH-UHFFFAOYSA-N 387.455 2.905 0 40 GFAB CON(C)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 56183093 ZMROBGHYMGTUJS-ZDUSSCGKSA-N 378.450 2.827 0 40 GFAB C[C@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)NC1CCCCCC1 26229543 PWJLHNVXZJQBMO-HNNXBMFYSA-N 385.464 2.557 0 40 GFAB O=C(CNc1ccc2nnc(-c3ccccc3F)n2n1)NCc1ccccc1 57138508 NLHOVAGJUREASK-UHFFFAOYSA-N 376.395 2.659 0 40 GFAB CC[C@]1(C)CC2=C(CO1)S[C@H]1N=NN(CC(=O)Nc3nccs3)C(=O)[C@H]21 35323877 VQINPRLEKIENQI-XJKCOSOUSA-N 393.494 2.823 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 12526245 QQTFFWCIDYLQNC-LBPRGKRZSA-N 376.434 2.714 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(C)cc4)CC3)CC2=O)cc1 57416721 BICQODUFSVTOHK-GOSISDBHSA-N 393.487 2.705 0 40 GFAB Cc1cc(C)n(C(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 100115690 ZUPWIBSQWPGFOD-GBESFXJTSA-N 379.460 2.927 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1csc(C)n1 58218108 JOJQIZFGJXIZTL-UHFFFAOYSA-N 379.507 2.685 0 40 GFAB O=C(Nc1ccncc1)C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 24702857 FTQZBMOMFZPSBZ-UHFFFAOYSA-N 381.432 2.620 0 40 GFAB C[C@H](C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)n1cncn1 58246327 MEVISSRGUNYXQC-OAHLLOKOSA-N 375.432 2.610 0 40 GFAB COc1cc(/C=C/C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)cc(OC)c1 58330773 XATQWQYXVUTHDO-VMPITWQZSA-N 395.419 2.648 0 40 GFAB CC(C)(C)NC(=S)N1CC2(C)CN(C(=S)NC(C)(C)C)CC(C)(C1)C2=O 2270918 DGRSJVRFZYWHMH-UHFFFAOYSA-N 398.642 2.545 0 40 GFAB COCCCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 2407200 IVRWSXUDIHDLHQ-UHFFFAOYSA-N 399.495 2.748 0 40 GFAB CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 11373265 IHCQEUDJQRLQDC-CSKARUKUSA-N 376.409 2.956 0 40 GFAB C[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)sc2C1 11448362 QMVFNFHFXALFQP-NSHDSACASA-N 391.518 2.842 0 40 GFAB COC(=O)C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12878341 WFTXMQVLAMJUBX-IBGZPJMESA-N 380.444 2.777 0 40 GFAB COc1ccc(CCCN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1OC 12887320 LRVFIQVGBJGYMF-UHFFFAOYSA-N 391.489 2.812 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cn3cccnc3=S)CC2)c(C)c1 12882124 SHZUVZCZMTUQHM-UHFFFAOYSA-N 392.550 2.502 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)Cc2cccs2)cc1 3417938 FPNLRQBYFKIHSR-KRWDZBQOSA-N 378.519 2.868 0 40 GFAB CCc1cccc2c1N(C(=O)Cn1c(CS(C)(=O)=O)nc3ccccc31)CC2 62582664 ZJHFXTJEAPBJNY-UHFFFAOYSA-N 397.500 2.733 0 40 GFAB CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 12955225 JZHKRWHXOWWODT-GJZGRUSLSA-N 381.494 2.735 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2)C[C@@H](C)O1 63307306 INRPRTPWYYAHFB-ZIAGYGMSSA-N 387.867 2.914 0 40 GFAB Cc1cc(C)c(OCC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(C)c1 5195864 UJGADPQLRXCNKJ-KRWDZBQOSA-N 391.489 2.800 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 4385077 CJHAHMWHLXBGHM-INIZCTEOSA-N 397.427 2.873 0 40 GFAB Cc1ccccc1S(=O)(=O)N[C@H]1OC(=O)C(Oc2ccccc2)=C1Cl 13945397 DNHWMMRJGHPAQS-INIZCTEOSA-N 379.821 2.686 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)c(OC)c2)C1=O 4477175 CIDZDRHOKPOAHR-NRFANRHFSA-N 382.416 2.744 0 40 GFAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCN2CCCC2=O)c1Cl 14099394 MALFOSAVSGSHID-UHFFFAOYSA-N 379.309 2.901 0 40 GFAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc2c1OCCO2 65644712 MCXTUTHMWLOVDG-UHFFFAOYSA-N 387.335 2.595 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(N(C)c3ccccc3)CC2)c1 65956490 FIPQYHYJDQDOBE-QGZVFWFLSA-N 394.519 2.974 0 40 GFAB CCOc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccoc2C)CC1 66891459 VTCAMYMAFYBYQX-UHFFFAOYSA-N 385.464 2.820 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1ccc(F)cc1 4906239 PGCVYQKRTWZLBQ-UHFFFAOYSA-N 393.374 2.582 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 7053177 BOOSILQSOMVCAU-UHFFFAOYSA-N 394.518 2.889 0 40 GFAB C[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)N1CCc2ccccc2C1 15496811 RONXSYYTCNNSHZ-LLVKDONJSA-N 377.238 2.907 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C 7238946 PUWCJICFMHXYCR-UHFFFAOYSA-N 389.477 2.871 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21 7378408 LDEZZNCHBPNJTD-UHFFFAOYSA-N 397.250 2.605 0 40 GFAB CCOc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 7508436 QSPMGSIWABHOBT-UHFFFAOYSA-N 388.445 2.530 0 40 GFAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc12 19078747 GUBOBBYDVIFLCO-SANMLTNESA-N 389.458 2.614 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022242 DMDCLRFIYHUMCD-CJXDPKRBSA-N 389.883 2.517 0 40 GFAB CN(C)c1ccc(NC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1 9157634 RBVUTICVIBGXRJ-UHFFFAOYSA-N 399.875 2.950 0 40 GFAB Cc1c(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)oc2ccc(F)cc12 8073246 ZZTQRYNYSQGDNC-GJZGRUSLSA-N 395.452 2.689 0 40 GFAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cc(C4CC4)[nH]n3)no2)cn1 96001877 CSBJUGWYEQBHKR-INIZCTEOSA-N 381.440 2.828 0 40 GFAB COc1cccc(CNC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 84199860 SQVXKPUVBDFZCC-QGZVFWFLSA-N 378.469 2.728 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H](O)C(F)(F)F 72288843 IHISSILHHJSEJQ-OLZOCXBDSA-N 380.794 2.524 0 40 GFAB COCCOc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cn1 78802993 AYNQLTQVEQEIPD-CQSZACIVSA-N 394.472 2.580 0 40 GFAB O=c1ccc(-c2ccco2)nn1CN1CCN(C/C=C/c2ccccc2)CC1 72405431 DUOCLFMCANZBSK-XBXARRHUSA-N 376.460 2.792 0 40 GFAB O=C(CN1C[C@H]2CCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 79051905 XEGBLBTVPANGKR-CJNGLKHVSA-N 383.414 2.965 0 40 GFAB Cc1cnc(C(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)cn1 95998492 UKRLIBJLKVNGKQ-FQEVSTJZSA-N 391.475 2.860 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CCn4c(cnc4C(F)(F)F)C3)cc12 95993064 MMQIGCNRKHFQNU-JTQLQIEISA-N 378.358 2.693 0 40 GFAB Cc1ccc(-c2nnc(SCc3nc(CS(C)(=O)=O)no3)o2)cc1C 89643331 OBIILQRRVFOFRC-UHFFFAOYSA-N 380.451 2.573 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC 20460409 FHIVEFZTIZZZHT-LBPRGKRZSA-N 378.450 2.566 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408588200 CWXWKXZXVPHKIZ-CQSZACIVSA-N 392.477 2.569 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408533199 QAIKLWCZPHRUMH-UHFFFAOYSA-N 388.917 2.810 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 36150562 TVXRNBWIZZOQJL-UHFFFAOYSA-N 390.417 2.592 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373059 HFNYJNOHYKECIP-MSOLQXFVSA-N 386.540 2.550 0 40 GFAB O=C1C[C@H](c2ccc(OCCOc3ccccc3Cl)cc2)N2N=CNC2=N1 38183587 YNWPDKPEYHRRLK-MRXNPFEDSA-N 384.823 2.974 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 11865658 UVVGZQXJIPLQFR-DYZYQPBXSA-N 375.421 2.576 0 40 GFAB biogenic CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218482032 OPRHAAALUFSPQH-LNLFQRSKSA-N 393.892 2.849 0 40 GFAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 70639790 NYLZRMUBBQNELS-KRWDZBQOSA-N 382.338 2.548 0 40 GFAB Cc1nc(O)cc(-c2ccc(NC(=O)N[C@@](C)(CO)c3ccc(O)cc3)cc2)n1 564136117 LQMQQKXPTAKTKU-NRFANRHFSA-N 394.431 2.892 0 40 GFAB COCc1cc(Cl)ccc1NC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 564883624 JCBWBFLEOCOPMW-KRWDZBQOSA-N 386.901 2.919 0 40 GFAB Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36618901 VXTXUWXFFHOWCY-UHFFFAOYSA-N 393.426 2.553 0 40 GFAB COc1ccc2cnn(Cc3cc(=O)oc4cc(C)ccc34)c(=O)c2c1OC 40309374 FHCCFUDZMVVONQ-UHFFFAOYSA-N 378.384 2.877 0 40 GFAB biogenic CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2)cc1 223309433 UWGKVAYWUFMBGO-UHFFFAOYSA-N 398.937 2.999 0 40 GFAB CCc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 225195945 NZUFJXVFIGKOSK-LLVKDONJSA-N 382.511 2.735 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCS/C2=C/c2cccs2)C1 225232777 RHNGVGIXGCKLLA-WDGDVPDHSA-N 386.564 2.684 0 40 GFAB CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224308737 XHDSVQNVIVBHSE-INIZCTEOSA-N 390.505 2.898 0 40 GFAB O=C(Nc1cc(-c2ccccc2F)on1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 529088250 LIGUXMWUVSTOJR-NEPJUHHUSA-N 379.413 2.664 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222442226 UGESVPDSOUSBLN-HNNXBMFYSA-N 390.505 2.897 0 40 GFAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccco3)ccc21 225735400 NTQGUHRVGIXOSD-UHFFFAOYSA-N 380.491 2.977 0 40 GFAB CN1CCN(CC2CC2)C2(CCN(Cc3ccc(Cl)c(F)c3)CC2)C1=O 96230295 GBLGLTKOVZMXGR-UHFFFAOYSA-N 379.907 2.998 0 40 GFAB O=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1ccc2c(c1)OCO2 96296333 ZDDBLNUUWKIRBE-INIZCTEOSA-N 395.390 2.747 0 40 GFAB biogenic,in-vitro COCCNC(=O)c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 95476942 YAXZYLFKQBJWPC-UHFFFAOYSA-N 376.334 2.784 0 40 GFAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 95079641 VBWDTXPTDNZPQN-ZDUSSCGKSA-N 379.482 2.515 0 40 GFAB COC(=O)C[C@@H](c1cnn(C(C)C)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96118035 DGGRGFBCTXKHKK-ZDUSSCGKSA-N 390.827 2.526 0 40 GFAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96215012 TWAYYZAJRICNIS-MRXNPFEDSA-N 390.427 2.736 0 40 GFAB CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1cccnc1)CC2 96260507 NOOIVBOVBCXYGK-UHFFFAOYSA-N 381.524 2.847 0 40 GFAB CCS(=O)(=O)C(Br)(Br)C(=O)c1cccc(F)c1 96518492 FJJUKLAAUXMPER-UHFFFAOYSA-N 388.052 2.887 0 40 GFAB COc1ccc(OC)c(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)c1 254386471 NCRQYTUGHOIFBE-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB Cn1nc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)cc1C1CC1 630140090 KPNFKVRCAWENQD-KRWDZBQOSA-N 396.447 2.629 0 40 GFAB Cc1cc(C)cc(Oc2ccc(NC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)cc2)c1 652374310 HXMFFSWGNDOWDI-HDICACEKSA-N 379.416 2.832 0 40 GFAB Cn1ccnc(NC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)c1=O 654028523 GPAVVPBZZIOBHW-UHFFFAOYSA-N 396.369 2.922 0 40 GFAB C[C@@H](NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)c1nnc2n1CCCC2 660919628 ZWHCZXKSEQHSFN-GDBMZVCRSA-N 391.479 2.848 0 40 GFAB CN(Cc1nc2ccccc2n1C)C(=O)c1cc(F)cc(N2CCOCC2)c1 668589289 FLVFMGYNBFXIBA-UHFFFAOYSA-N 382.439 2.821 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cccc(C)c2C)CC1 58165280 ILCINQMLKUELKC-JOCHJYFZSA-N 393.531 2.742 0 40 GFAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Cc2cccnc2)CC1 678364880 AKNZWQGASDGADH-IBGZPJMESA-N 378.476 2.851 0 40 GFAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ccc(OC)c(Cl)c3)ccc21 5805308 FPGGEWYMPJQUHS-UHFFFAOYSA-N 388.811 2.909 0 40 GFAB CCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 12550305 MRMKRSWPLGJRIQ-UHFFFAOYSA-N 386.521 2.959 0 40 GFAB COC(=O)CSc1nnc(-c2ccc(I)cc2)o1 13586115 JCFKSQNPOKBDMF-UHFFFAOYSA-N 376.175 2.606 0 40 GFAB COc1cccc(CNC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)c1 14001248 GXZOCZKPMCHHPE-UHFFFAOYSA-N 394.406 2.732 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1 14401056 MMVIMLWNKLQXPJ-UHFFFAOYSA-N 397.475 2.542 0 40 GFAB Cn1ncc2c(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)ncnc21 14853604 IWPNRPIKSVEDCA-UHFFFAOYSA-N 397.291 2.694 0 40 GFAB COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1F 16971910 BKPCMPNWHDQFCZ-UHFFFAOYSA-N 379.453 2.861 0 40 GFAB COc1cccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)c1OC 17135545 DAJXGSCOPOYZPU-LFIBNONCSA-N 379.441 2.691 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 19750483 AOVGTYFDBHMWJI-KRWDZBQOSA-N 390.443 2.982 0 40 GFAB COc1cccc(CC(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 13227821 UDOUFHAMCIFDHQ-UHFFFAOYSA-N 393.447 2.792 0 40 GFAB O=C(c1ccccc1F)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13266831 DGWJMLSOAICNQM-ZDUSSCGKSA-N 379.395 2.798 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(c5ccc(C(F)(F)F)nn5)C[C@H]4C3)n1)CCC2 1888869538 RLXZJFFLNDMLAD-BETUJISGSA-N 390.413 2.655 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c1 1888920834 JOFKIJFFMLGCCR-UHFFFAOYSA-N 397.504 2.809 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@]2(O)CCCc3sccc32)cc1F 1889186465 AVTNMPZOIXJHIX-KRWDZBQOSA-N 385.482 2.788 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(C2CCCC2)CC1 38674363 RWEZHMDJFPSXMT-UHFFFAOYSA-N 378.538 2.621 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)CCc3c[nH]c4ccccc34)CC2)n1 238887397 QFKXVSYTEHOYLF-UHFFFAOYSA-N 379.464 2.690 0 40 GFAB Cc1csc(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)c1 1565547923 YOQZWIGKYNZAAS-CQSZACIVSA-N 381.461 2.559 0 40 GFAB COc1ccccc1-c1nnc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)o1 4276014 QJNWXIBOFMZBEZ-UHFFFAOYSA-N 392.371 2.651 0 40 GFAB CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)cc1 7388004 NWNKZPOQTKDWGP-UHFFFAOYSA-N 376.463 2.820 0 40 GFAB CCCCC1=N[C@@H]2c3c(C)cc(C)nc3S[C@H]2C(=O)N1N(C(C)=O)C(C)=O 15107196 IAVMFEFUOBPFPB-IAGOWNOFSA-N 388.493 2.955 0 40 GFAB Fc1c(-c2ccccc2)ncnc1N1CCN(Cc2nnc(C3CC3)o2)CC1 1775971913 YCLKUBJXXQOSHP-UHFFFAOYSA-N 380.427 2.865 0 40 GFAB COc1cc2s/c(=N/C(=O)c3ccnn3C)n(CCSC)c2cc1OC 101335397 VWNQMDPBYFILJJ-HTXNQAPBSA-N 392.506 2.558 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679730 OKNWBTNROPOPHF-GOEBONIOSA-N 398.488 2.824 0 40 GFAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1 585389550 HXBYQTOMEFCRFV-LBPRGKRZSA-N 389.399 2.887 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cncn1-c1ccc(F)cc1 40009635 ZMIWRIHMFBYYEM-UHFFFAOYSA-N 386.471 2.776 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@@H]3C2=O)cc1 100033404 VVVXZNLHLIXOLA-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(N2CCCC2=O)cc1 30420290 WMZZAHVABUUWPS-UHFFFAOYSA-N 395.459 2.923 0 40 GFAB O=C(CS(=O)(=O)Cc1ccc(F)cc1Cl)NCCOc1ccccc1 40106019 NLFBODQKRQSVFZ-UHFFFAOYSA-N 385.844 2.589 0 40 GFAB COc1cccc(N2C(=O)C[C@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)c1 20760150 JUCZTZQRIJKAJF-FQEVSTJZSA-N 375.428 2.867 0 40 GFAB biogenic c1coc(CNc2nc(N3CCOCC3)c3nc(NCc4ccco4)[nH]c3n2)c1 1593987 SHCJCDVVMUEWBC-UHFFFAOYSA-N 395.423 2.600 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(O)c(OC)c1 2767337 NCLGVWTUJZAGRW-GOSISDBHSA-N 384.457 2.894 0 40 GFAB biogenic,in-vitro Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1 21475407 RVCYDYVUSACOGS-LBPRGKRZSA-N 395.444 2.665 0 40 GFAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 3554546 CHZHWSMKRIDGSQ-GOSISDBHSA-N 376.453 2.640 0 40 GFAB COCCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)S[C@H](C)C2 4107994 OJXTXSYRIHLZEH-GFCCVEGCSA-N 391.518 2.657 0 40 GFAB C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NC(C)(C)C 21702438 BZBLPTKAKYOIRR-ZDUSSCGKSA-N 377.514 2.915 0 40 GFAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)CCCC2 7816842 JRJALHNNRFEAMW-AWEZNQCLSA-N 398.484 2.587 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 21961105 AZKHCEZFSUBRAT-CQSZACIVSA-N 392.443 2.773 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)NC1CCCCC1 8704803 UZMRJASCBQEYEO-UHFFFAOYSA-N 387.509 2.657 0 40 GFAB COC[C@H](C)n1c(SCCn2c(C)csc2=O)nc2ccccc2c1=O 8936634 VIEXWCUOJXNXMH-LBPRGKRZSA-N 391.518 2.928 0 40 GFAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)nc1 22183936 KLOSSHNCIKBHBN-UHFFFAOYSA-N 381.354 2.747 0 40 GFAB CC(=O)c1ccccc1OCCOC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 22504115 HWJQDJHSZCJPDN-FQEVSTJZSA-N 383.400 2.625 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(Br)cs1 23148941 ZZMMOHAFIXHBNF-HNNXBMFYSA-N 394.294 2.847 0 40 GFAB COc1ccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)c(OC)c1OC 1263419 OAKXFBOXXLQOHT-KRWDZBQOSA-N 376.497 2.937 0 40 GFAB COCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2cc(Cl)ccc21 24828771 QJTZIVYSPRPJMX-ZDUSSCGKSA-N 383.901 2.723 0 40 GFAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 43528444 XCJJWFILINGGCT-UHFFFAOYSA-N 394.497 2.984 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 12543088 CFIOAYAMPTYFNX-UHFFFAOYSA-N 399.944 2.940 0 40 GFAB O=C(NC[C@H]1CCCO1)c1cc(Br)cc(Br)c1O 2018678 INGVKLACODHWHI-MRVPVSSYSA-N 379.048 2.826 0 40 GFAB in-man CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2094591 URZDPNCTZDVGKL-SJKOYZFVSA-N 387.432 2.809 0 40 GFAB biogenic COc1ccc(CN(C(=O)CN2CCN(c3ccccc3O)CC2)C2CC2)cc1 58172435 NOHXWXDILNPIEP-UHFFFAOYSA-N 395.503 2.714 0 40 GFAB Cn1c(SCC(=O)c2ccc(S(C)(=O)=O)cc2)nnc1-c1ccccc1 12689471 QJWVNLYVUSCZML-UHFFFAOYSA-N 387.486 2.861 0 40 GFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12 28249403 YOQHNTRQDYVCOU-UHFFFAOYSA-N 387.461 2.656 0 40 GFAB O=C1C[C@@H](C(=O)NCc2cccc(NC(=O)C3CC3)c2)c2ccc(F)cc2N1 10580572 IUOGRMHGPDXNBP-QGZVFWFLSA-N 381.407 2.916 0 40 GFAB C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 8777336 RTPWCGBKSYUQNX-KDOFPFPSSA-N 384.501 2.704 0 40 GFAB Cc1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)c(C)cc1Br 11566060 YYGVXDRHXBVJLT-UHFFFAOYSA-N 376.272 2.551 0 40 GFAB O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cnc2ccccc2n1 48355185 XKBWIHMYAZPQMJ-UHFFFAOYSA-N 378.407 2.804 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1Cl 3463890 UNBNTCSOCFNAFJ-HXUWFJFHSA-N 383.835 2.980 0 40 GFAB COc1cc(CC(=O)NCCCOc2ccccc2F)cc(OC)c1OC 8778213 RUUJOOWRUADLDC-UHFFFAOYSA-N 377.412 2.979 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)no1 12986436 VHISKINCUSWAOQ-UHFFFAOYSA-N 382.420 2.570 0 40 GFAB CCOc1cc2c(cc1NC(=O)CN1C(=O)COc3ccccc31)O[C@H](C)C2 18238499 NWCPCZZJHABDKK-CYBMUJFWSA-N 382.416 2.773 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1[C@@H]1CCS(=O)(=O)C1 8917269 YZJPDLGSIDFTQB-KDOFPFPSSA-N 395.436 2.525 0 40 GFAB CCCCCC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C1=O 6052415 IIDHGEKBYYSQCO-HXUWFJFHSA-N 375.469 2.592 0 40 GFAB Cn1nccc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306130434 JGFUQVOTHJLYBX-QGZVFWFLSA-N 387.447 2.545 0 40 GFAB COc1ccc(-c2nc(C)c3c(n2)sc2c(=O)n(CCN(C)C)cnc23)cc1 13725834 RDAMLEOEIHXXND-UHFFFAOYSA-N 395.488 2.947 0 40 GFAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 6179443 DTMOWMFCVIOUNT-UHFFFAOYSA-N 380.397 2.518 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1 22527082 JPAVHERTCGLQBH-GFCCVEGCSA-N 387.388 2.674 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1 26528789 WDCPTUJGFNCZTN-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB CCOC(=O)C1=C(C)Oc2ncn3nc(C)nc3c2[C@H]1c1ccc(OC)cc1 5349204 SUAHIJUFUCEEFG-INIZCTEOSA-N 380.404 2.803 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-n3cncn3)cc2)cc1 14199203 DVAVMOHTGMHZCA-UHFFFAOYSA-N 392.415 2.902 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 9112016 VKHYGCHEBIPEIF-VQIMIIECSA-N 393.487 2.913 0 40 GFAB CCCN(C(=O)c1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 6610249 UIGAZHRHCAXWLA-KRWDZBQOSA-N 387.505 2.789 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 4703105 MZMACAKRKDYDEM-UHFFFAOYSA-N 392.839 2.663 0 40 GFAB CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 6787000 GTZAUIWNHZSWAT-IBGZPJMESA-N 387.480 2.789 0 40 GFAB COc1ccc(OC)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 7063047 GYFSMQYUMQAVRY-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1N1CCOCC1)CS2 15324437 KNBTVKAUDPFGCT-CRAIPNDOSA-N 395.912 2.569 0 40 GFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)no1 15513435 XJHBBPPUEYFSCB-NSHDSACASA-N 391.811 2.947 0 40 GFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2O1 7253142 RJYMQVVNCBXNKN-HNNXBMFYSA-N 394.258 2.946 0 40 GFAB CC1=NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2N1CC(C)C 15867682 OSGZDDWFPQNMKX-UHFFFAOYSA-N 375.450 2.793 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NC(=O)NC2CCCCC2)c1 7718270 WTXBGLSTTTURSV-GOSISDBHSA-N 389.496 2.999 0 40 GFAB Cc1cc(C)nc(SCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)n1 7737759 RHJAILDWXMPVCH-QGZVFWFLSA-N 385.489 2.923 0 40 GFAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)cc1 7876032 BYIQNAXFNHLSKC-INIZCTEOSA-N 389.496 2.842 0 40 GFAB CCc1cccc(NC(=O)CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 7973702 BXQKVFWZFKFIBH-UHFFFAOYSA-N 375.494 2.858 0 40 GFAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(-n2ccnc2)cc1 8013573 NBCWFKZRJWZHEL-CYBMUJFWSA-N 390.365 2.930 0 40 GFAB COc1ccc(CNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 8494566 ZGRBYFTVVRFLMR-UHFFFAOYSA-N 376.478 2.558 0 40 GFAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 96794671 WUBCKFVZUVLJGY-BZUAXINKSA-N 399.457 2.852 0 40 GFAB C[C@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1cccs1 9762660 YRQOTTHCNWGAIN-ZDUSSCGKSA-N 389.477 2.607 0 40 GFAB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C1/C[C@@H](c2ccc(Cl)cc2)NN1 95190826 MQLLVKGYIJPPDZ-DQHOPXMZSA-N 388.855 2.544 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1 95461983 ZLFKORHOTBYQLC-LJQANCHMSA-N 389.473 2.750 0 40 GFAB Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1Cl 89643342 LISXNOKAZBIIMJ-QGZVFWFLSA-N 383.839 2.736 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@H]3C[C@H]4C=C[C@@H]3C4)cc2s1 170609928 SHJCPSSUUXMZIY-DMDPSCGWSA-N 377.491 2.610 0 40 GFAB Cn1cccc1C(=O)N1CCC(n2cnc3ncc(-c4cccnc4)nc32)CC1 306143259 XXHNKQFRQMKQCC-UHFFFAOYSA-N 387.447 2.704 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2Cl)C1 32609962 JNQAHZOLDYGIGH-VIFPVBQESA-N 395.706 2.713 0 40 GFAB CN1CCN(Cc2cnn(C)c2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 306143917 YQQGNIIIDBMYAD-OAQYLSRUSA-N 387.491 2.619 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408601460 BAKMJJCPVPPEID-INIZCTEOSA-N 382.526 2.791 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2F)o1 553079456 RDZATFCQMYZTJP-CZUORRHYSA-N 394.468 2.924 0 40 GFAB CCc1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)c(-n2cnnc2)c1 32646898 JUSCACSBZRHQDD-UHFFFAOYSA-N 380.404 2.634 0 40 GFAB Cc1nc(NCCNC(=O)CCCc2ccccc2)cc(-n2ccnc2C)n1 38670579 DIIHYELDFCAICI-UHFFFAOYSA-N 378.480 2.830 0 40 GFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(CCc1ccccc1)CC2 72372181 OSTANGKXYVTFIZ-LJQANCHMSA-N 393.535 2.845 0 40 GFAB O=C(CCc1ccccc1Br)N1CCN(c2cnsn2)CC1 1565523001 XBIXPDQTIRLEJE-UHFFFAOYSA-N 381.299 2.582 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC 225379539 WQFRAKVJSDXGMH-CQSZACIVSA-N 390.867 2.891 0 40 GFAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCCC2=CCCCC2)c1 44920974 ZONXEOPVBWJEPL-UHFFFAOYSA-N 380.448 2.596 0 40 GFAB CSc1cccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 220064995 CUBSDJMHKFFAHU-UHFFFAOYSA-N 390.596 2.822 0 40 GFAB COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1Cl 225436905 FKONZZTVHLNWAG-INIZCTEOSA-N 382.869 2.920 0 40 GFAB O=C(Nc1cccc(Br)c1)c1coc(NC(=O)c2cnccn2)n1 77196571 FNWXMUGUQONUDU-UHFFFAOYSA-N 388.181 2.732 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515338 IVOMYWUFIFBWNR-LMMKCTJWSA-N 393.892 2.849 0 40 GFAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-n1cnnc1 260786445 XCFVANWDXMEBMA-JEBQAFNWSA-N 379.493 2.992 0 40 GFAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Cl)cc1-n1cccn1 623088100 WIZDNJHIHZNFHC-GDBMZVCRSA-N 386.843 2.911 0 40 GFAB NC[C@@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC[C@@H]1C(F)(F)F 625853679 YTIVBSDZQZYPGH-ZBFHGGJFSA-N 381.402 2.922 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)c1 96025542 VVBIBQHJRBQKJA-MRXNPFEDSA-N 379.503 2.622 0 40 GFAB C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585096333 IQCCSLNADAYDTQ-CQSZACIVSA-N 391.475 2.650 0 40 GFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 46673570 PXHHOKXLZGLMTP-KSSFIOAISA-N 395.459 2.909 0 40 GFAB CC[C@H](C)CN(C)c1nnc([C@@]2(C)Oc3ccccc3NC2=O)n1CCOC 1523493656 CWRSAFZVHVYTJR-VBKZILBWSA-N 387.484 2.653 0 40 GFAB CCCn1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 1615157880 OKQRUAHFYWFGHA-QFIPXVFZSA-N 396.491 2.721 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 5127175 ZIUCMRGBZSUCMH-UHFFFAOYSA-N 395.433 2.690 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695326 NXHUCSXPYMNRAH-UHFFFAOYSA-N 386.502 2.716 0 40 GFAB O=C(Cn1nnc2ccccc21)N1CCC(c2ncncc2-c2ccncc2)CC1 12118681 SFBASMRCDOOTLV-UHFFFAOYSA-N 399.458 2.690 0 40 GFAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(Cc2ccco2)CC1 12119396 FZMFLAPQIJKFND-UHFFFAOYSA-N 398.488 2.915 0 40 GFAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3F)ccc2N1 14076301 UJBVHKWNHYBMTO-UHFFFAOYSA-N 383.788 2.561 0 40 GFAB CCCCc1nn2c(=O)cc(COC(=O)COc3cccc(C)c3)nc2s1 15734078 AQZUOWKGLYBDFR-UHFFFAOYSA-N 387.461 2.924 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(O)cc(-c4cccs4)n3)C2)c(=O)[nH]1 19131437 DITFPJBTLPFIRO-CYBMUJFWSA-N 396.472 2.927 0 40 GFAB CCCCc1cc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)[nH]n1 19502351 RRKJJXZFWIIZNX-UHFFFAOYSA-N 388.419 2.585 0 40 GFAB Cc1nn(C(C)C)cc1S(=O)(=O)NCc1cccc(OC[C@@H]2CCCO2)c1 19583330 APENJRGULNCNFY-SFHVURJKSA-N 393.509 2.809 0 40 GFAB CCN1CCC(CC(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)CC1 19706057 FBUSMJVARVWNHO-IBGZPJMESA-N 386.540 2.611 0 40 GFAB O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(C(F)(F)F)cc1 206819076 SITQTOPMIIVDTI-NSHDSACASA-N 377.413 2.719 0 40 GFAB Cc1cc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)n(C2CCOCC2)n1 630147620 ILHQIQBIRKPNGQ-UHFFFAOYSA-N 393.827 2.912 0 40 GFAB Cc1nc2[nH]c(=NC3CN(c4cnccn4)C3)ccc2c(C)c1Br 1888890758 DGVZTPKIEOKRJD-UHFFFAOYSA-N 385.269 2.522 0 40 GFAB NC(=O)N[C@@H](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1F 27843597 LMVLSGKHHKWFMG-KXBFYZLASA-N 384.455 2.568 0 40 GFAB CC1CC(C(=O)N2CCO[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)C1 1565542803 ULKIZAZOCPWWJU-UYJHFMRCSA-N 377.448 2.737 0 40 GFAB CCOc1ccc(CC(=O)NCCc2cc3ccc(OC)cc3[nH]c2=O)cc1 4032892 MZUVLRWPPSCGGH-UHFFFAOYSA-N 380.444 2.837 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccccn4)CC3)nn2)cc1 13657990 JHYXWEWRMVKLJU-UHFFFAOYSA-N 389.459 2.900 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)s3)cc21 21756832 YPUOLXOZWZLBMR-UHFFFAOYSA-N 380.491 2.783 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)cc(=O)o1 218920135 ZKLLYTAFXKLRBQ-QGZVFWFLSA-N 379.416 2.736 0 40 GFAB COc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)cc(OC)c1OC 43976130 VOHOLTFRZIKWSI-UHFFFAOYSA-N 385.464 2.754 0 40 GFAB Cn1cc(-c2cncc(CNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c2)cn1 575414689 MTSFCCIFQOSPLN-UHFFFAOYSA-N 376.395 2.941 0 40 GFAB O=C(CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1ccc(F)cc1 2298117637 QGZXUFIGCUQVCZ-AWEZNQCLSA-N 383.414 2.734 0 40 GFAB CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 13552590 UERXONVHUAFPTJ-QGZVFWFLSA-N 380.448 2.942 0 40 GFAB CN1N=C(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CCC1=O 30965797 DATAESQFPFANBA-SFHVURJKSA-N 375.432 2.571 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16022754 AFQMUACIJZXYLA-CYBMUJFWSA-N 378.881 2.938 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 7735474 WCNUKWCQMCSXCM-UHFFFAOYSA-N 379.463 2.876 0 40 GFAB COc1ccc(OC)c(CNc2nc3ccccc3n2CCN2CCOCC2)c1 809680 VZDLDVIITMXCHP-UHFFFAOYSA-N 396.491 2.998 0 40 GFAB CCOc1ccc(-n2cc(C(=O)OCC(=O)OC)c3ccccc3c2=O)cc1 21359981 VSTBXBHOMNNPSY-UHFFFAOYSA-N 381.384 2.719 0 40 GFAB O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 1431604 DTVHLZYTZZCTEN-SWGHUGEVSA-N 388.533 2.781 0 40 GFAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 32759678 CFVVMXAZJBMSHN-SFHVURJKSA-N 396.447 2.649 0 40 GFAB COc1ccccc1CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32794781 NPTUYTITFOILMB-LJQANCHMSA-N 378.472 2.896 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n1C)S[C@H](C)C2 4107808 BYHXVXJXTHYPSH-LLVKDONJSA-N 391.518 2.947 0 40 GFAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC[C@H]3CCCO3)c2C1 2663985 XLHFRGRHCGOPAD-LSDHHAIUSA-N 382.460 2.812 0 40 GFAB CCOC(=O)CNC(=O)CSc1nnc2c(C)cc3c(C)cc(C)cc3n12 4215524 QCVDGBHRLUXDMR-UHFFFAOYSA-N 386.477 2.579 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 32899071 BLOUUWUCKVACSG-GOSISDBHSA-N 385.464 2.945 0 40 GFAB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 4818705 PPIVCBCOLCHEFG-CZPYZCIJSA-N 387.741 2.554 0 40 GFAB O=C1Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Nc2ccccc21 6915619 ATUGRNRDNXVTHB-UHFFFAOYSA-N 379.416 2.975 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N3CCc4ccccc4C3)C(=O)[C@H]2C)cc1 7007666 IDJYPUBZBXJIRR-MRXNPFEDSA-N 377.444 2.737 0 40 GFAB C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)NC12CC3CC(CC(C3)C1)C2 8140569 OSQMITMAYYUDSE-ITOAGHBLSA-N 389.447 2.576 0 40 GFAB COC(=O)c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C 22016622 BYVHIGJQQZGFPU-UHFFFAOYSA-N 381.429 2.589 0 40 GFAB in-vitro Cc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccsc3)CC2)n1 22789013 HGDHLYYLISOFEH-UHFFFAOYSA-N 395.536 2.885 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC 841938 JBDRPXUSKDZWCL-OAHLLOKOSA-N 379.434 2.507 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CC[C@H]1Cc2ccccc2NC1=O 23003059 SZYZCWBJMIFPOX-INIZCTEOSA-N 395.459 2.650 0 40 GFAB COC(=O)c1ccc2c(O)nc(CN(C)Cc3ccc4c(c3)OCCO4)nc2c1 23829556 NHQXDIWDNJHRRK-UHFFFAOYSA-N 395.415 2.525 0 40 GFAB CC(C)c1ccc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 24497149 SWOFQVUXVUTIIH-UHFFFAOYSA-N 389.521 2.862 0 40 GFAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(Cc2cccs2)CC1 25702045 COTMVGDZPUEOJZ-OAQYLSRUSA-N 399.560 2.776 0 40 GFAB COc1ccc(CN(C)C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1F 24727915 FZKHMJPUZZJXLL-XYPWUTKMSA-N 391.439 2.731 0 40 GFAB COc1cc(CC(=O)NC[C@H](c2ccsc2)N(C)C)cc(OC)c1OC 25329999 FVRXYXJUYYBJMO-OAHLLOKOSA-N 378.494 2.736 0 40 GFAB CN(C)[C@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccco1 43946433 CHVJDBPVQRJVLV-MRXNPFEDSA-N 381.440 2.692 0 40 GFAB C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccc(F)cc1 22536420 ZZHVLEMYRFMGNK-CYBMUJFWSA-N 382.432 2.604 0 40 GFAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 26101044 BZQNESRCWPOILC-SECBINFHSA-N 381.255 2.601 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 103099303 NJTIPEZDFSWMHQ-BHPKHCPMSA-N 392.525 2.877 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1N1CCCC1 10009925 XREDQXISKUVXSG-UHFFFAOYSA-N 381.542 2.751 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)N1CCOCC1 27972279 AULJZCWXJPYCGJ-SOFGYWHQSA-N 380.400 2.540 0 40 GFAB Cc1ccc(CN(CCN(C)C)C(=O)c2cc(S(C)(=O)=O)ccc2C)o1 58203526 RQZKUXVDHDJYPP-UHFFFAOYSA-N 378.494 2.504 0 40 GFAB CCCN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)nn(C)c1Cl 58439521 SKJWSCMQGPYFHY-ZDUSSCGKSA-N 398.916 2.810 0 40 GFAB CC(C)N(C(=O)COc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccccc1 3268705 HRPYVCDEPGGMAT-NRFANRHFSA-N 381.432 2.562 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(F)cc1 2257636 FHJFUXNHBYZHST-IAQYHMDHSA-N 378.425 2.664 0 40 GFAB CCCOc1ccc(-c2csc(NC(=O)[C@@H]3CCS(=O)(=O)C3)n2)cc1 12622835 CZMJQMPQOBGJNH-CYBMUJFWSA-N 380.491 2.972 0 40 GFAB CSc1nc2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2s1 3322398 CGBIUMYUKCAZJK-UHFFFAOYSA-N 398.469 2.660 0 40 GFAB CCC(CC)c1nnc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)s1 12744688 PBOYGXBPZUWKMG-UHFFFAOYSA-N 376.438 2.539 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc2c(c1)OCCO2 12854942 VFBJPWCYFRUEMJ-UHFFFAOYSA-N 391.427 2.759 0 40 GFAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1CCCO)c1ccccc1 3455220 FPCZTPWRGGSEJT-HNNXBMFYSA-N 397.500 2.748 0 40 GFAB CCCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 3475155 KQBKFBLIAXCLTD-UHFFFAOYSA-N 394.431 2.727 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3505701 KTDBHXCPQDPFHM-UHFFFAOYSA-N 380.242 2.561 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(CS(C)(=O)=O)c1 12977479 TZADVNZFBIBOQT-UHFFFAOYSA-N 383.473 2.689 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCC1=CCCCC1 13011886 RLEQRWHWNLSSEW-GOSISDBHSA-N 389.521 2.756 0 40 GFAB CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@H](C)CC 13096456 RQQNGKVQUFKKBR-VFNWGFHPSA-N 387.480 2.643 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCCCc2nc3ccccc3[nH]2)cc1 8374316 XKKGNFMUEUBMLC-UHFFFAOYSA-N 387.461 2.603 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CC2(C(=O)O)CCCC2)c1C 13468544 IGVMURHWZZPKAF-UHFFFAOYSA-N 382.482 2.527 0 40 GFAB CCCCOc1ccc(C(=O)NOCC(=O)NC2CCCCC2)cc1OC 6052097 BMQRXIGRPIHHPU-UHFFFAOYSA-N 378.469 2.984 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)NCc1ccc(Cn2cccn2)cc1 13985334 IAKQRYOECIUUTA-UHFFFAOYSA-N 392.484 2.687 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc2O1 14184219 SXRSAOMYVQYOGH-MRXNPFEDSA-N 378.350 2.788 0 40 GFAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC[C@@H](C(N)=O)C3)c2n1 24502358 YVKJTKCMHXSWHH-LLVKDONJSA-N 396.274 2.953 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 14251294 XILSWVKNMJTPKL-CQSZACIVSA-N 388.395 2.594 0 40 GFAB COCCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 4699922 OPAJSCGKBXCYHM-GOSISDBHSA-N 397.431 2.508 0 40 GFAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2F)nn1-c1ccccc1 24214752 KWULSVUVVRIFOI-UHFFFAOYSA-N 381.407 2.831 0 40 GFAB CCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)c1 6753043 ROAQFTPYMKXAPH-HXUWFJFHSA-N 379.416 2.719 0 40 GFAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1C 4814924 CIBNJZHNRXFDEQ-UHFFFAOYSA-N 399.476 2.686 0 40 GFAB Cc1cc2nc(SCC(=O)Nc3nccs3)n(CC(C)C)c(=O)c2[nH]1 67239377 MXSWIDPURBOQKQ-UHFFFAOYSA-N 377.495 2.876 0 40 GFAB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Nc1ccc(O)cc1 18263526 XNFKOUGWKLZLPN-IBGZPJMESA-N 384.413 2.503 0 40 GFAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)ccc1OCC(N)=O 71285705 LTTTWAHAKQMKSR-INIZCTEOSA-N 390.465 2.928 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 9112014 VKHYGCHEBIPEIF-QFBILLFUSA-N 393.487 2.913 0 40 GFAB CN(C)c1cccc(C(=O)N[C@@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)c1 77100813 WCOKJEUGAOZVKU-GOSISDBHSA-N 391.475 2.807 0 40 GFAB COC(=O)[C@]12CCC[C@H]1CN(C(=O)CCSc1ccc3c(c1)OCCO3)C2 96007871 ZPUFXDXSNHZOCX-XOBRGWDASA-N 391.489 2.742 0 40 GFAB COc1ccc(C(=O)CNC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 96114833 OMOGPPSOSMAPBD-UHFFFAOYSA-N 383.444 2.751 0 40 GFAB biogenic Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)NC[C@H]1CCCO1 28227343 LVFHUCHJSCEFAT-SECBINFHSA-N 384.196 2.658 0 40 GFAB C[C@H]1COCCN1CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 72309095 DFBKVXLOOSRNEX-YWZLYKJASA-N 378.900 2.858 0 40 GFAB COc1cccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 171109275 BIESIYCFPGIBIU-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 20014881 CJNYMAHNICZGOV-UHFFFAOYSA-N 390.358 2.892 0 40 GFAB CCc1ccc(CN(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 89284842 PLOVKKUTRDUDTP-UHFFFAOYSA-N 378.469 2.862 0 40 GFAB COc1cccc(CN(C)C(=O)C2CCN(C(=O)c3ccco3)CC2)c1OC 89361249 IPCXMTSXZNIOTE-UHFFFAOYSA-N 386.448 2.808 0 40 GFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974792 YPLHPLBJQQZASI-JKSUJKDBSA-N 382.526 2.709 0 40 GFAB CN1CCN(Cc2cnn(C)c2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 306128858 HMXAWWDOJJGSIW-IBGZPJMESA-N 393.520 2.680 0 40 GFAB CCC(=O)N[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 60304999 OTIVMHHBBOQCKF-MRXNPFEDSA-N 380.492 2.800 0 40 GFAB COc1cc(OC)cc(-c2nc(SCC(=O)NCc3ccccc3)n[nH]2)c1 408546449 JOJOVQGFYMCXBT-UHFFFAOYSA-N 384.461 2.897 0 40 GFAB Cc1ccsc1CN1CCC2(CCc3nnc(C(=O)NC4CC4)n3C2)CC1 306144557 ZIPUMJISHJYRMD-UHFFFAOYSA-N 385.537 2.769 0 40 GFAB C[C@H]1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)[C@H]2CCCC[C@H]12 35312644 RERZDHKTOIPMBG-LZWOXQAQSA-N 391.493 2.570 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1Cl)O2 38833798 UXPMCKZTAVSAHN-INIZCTEOSA-N 380.853 2.814 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3c(c1)OCO3)CC2)c1ccco1 70638486 NQQLNXLEVHWZOI-UHFFFAOYSA-N 397.412 2.916 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218432113 SAMHDTTZRKOMFC-RYRKJORJSA-N 379.865 2.540 0 40 GFAB Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)NCc4ccccc4)n3n2)n1 71280777 NZBKIKJMZJHHFX-UHFFFAOYSA-N 389.463 2.566 0 40 GFAB CO[C@]1(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)CCC[C@H](C)C1 225635309 OSBUCMGWVPKRSY-LAUBAEHRSA-N 376.497 2.931 0 40 GFAB Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935359 SPLZHPMBGGFROL-UHFFFAOYSA-N 377.901 2.762 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 229944491 UVNKWBCKIUPKEV-OZQHCQBDSA-N 396.418 2.516 0 40 GFAB O=C(NCCc1ccccc1)NCC1CCN(C(=O)COc2ccccc2)CC1 43981746 DKSLSIVXUGSNSL-UHFFFAOYSA-N 395.503 2.846 0 40 GFAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 223514415 HMVZOFKMGCAMGE-LBPRGKRZSA-N 381.479 2.908 0 40 GFAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCNC(=O)C1CC1 43945313 NZFQEXZWVSZESM-NLKGSNSHSA-N 383.330 2.753 0 40 GFAB O=C(NCCCc1ccccc1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100440 XWTNRIFDSBMRIO-UHFFFAOYSA-N 391.353 2.924 0 40 GFAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225738144 SWKHEXKIQPMKFA-OAQYLSRUSA-N 392.496 2.848 0 40 GFAB Cc1cc(O)nc2ccc(NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc12 1585114181 LGNSRGLAQQMMFI-OAQYLSRUSA-N 390.399 2.556 0 40 GFAB COCCn1ccc2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc21 95475391 DLEIZEZXPKICKD-UHFFFAOYSA-N 393.369 2.554 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 96903931 FIRCNUMGFTTXGC-DLRJPAPCSA-N 398.846 2.722 0 40 GFAB NC(=O)COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 96318999 PVUKIFGMWYAODU-CVEARBPZSA-N 383.839 2.942 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2 96241044 WLUSIQCZHJKKCL-LJQANCHMSA-N 397.450 2.657 0 40 GFAB CC(=O)N1[C@@H]2CN(C(=O)Cn3c(C)nc4ccccc43)[C@@H]3CCC[C@H]1[C@]3(C)C2 257277363 NXRWYHCIYGQMGD-QRXQEZHUSA-N 380.492 2.735 0 40 GFAB O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 621500475 RRSAHGLOYPXHJF-TZMCWYRMSA-N 379.386 2.744 0 40 GFAB CC(C)c1nc(C(=O)Nc2cnc3c(c2)C[C@@H](N)CC3)nn1-c1cccc(F)c1 644101703 OJWALJSVDWLSNR-HNNXBMFYSA-N 394.454 2.993 0 40 GFAB CCc1cccc(CN2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)c1 652453515 QALCWADRTQFLNG-UHFFFAOYSA-N 394.518 2.515 0 40 GFAB O=C(CSc1nc2ccccc2s1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390828998 VSPIDGSVGPUCAR-GFCCVEGCSA-N 390.465 2.997 0 40 GFAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 12143324 KVSHXUFXMJDBMK-LBPRGKRZSA-N 386.839 2.937 0 40 GFAB COc1ccccc1N(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 14357075 QFOQMEHNEXNNEA-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 14607410 VJMHLJULSQVBJT-IAQYHMDHSA-N 399.274 2.900 0 40 GFAB CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccn(C)n1 19017906 MZASYCFKHLCNHM-HMXCVIKNSA-N 380.492 2.819 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1Cn1nnc(-c2cccc(F)c2)n1 19294351 WMTWRESDMSKQRS-GOSISDBHSA-N 383.402 2.852 0 40 GFAB CCc1nc(-c2cncnc2[C@H]2CN(Cc3cccc(OC)c3)CCO2)no1 19693689 CSFFNQGPCGJJBF-QGZVFWFLSA-N 381.436 2.671 0 40 GFAB Nc1nc(C2CCN(C(=O)c3cccnc3)CC2)ccc1C(=O)NC1CCCC1 19753954 KYGHBBCNNBLFKF-UHFFFAOYSA-N 393.491 2.751 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCCN1C(=O)c2ccccc2C1=O 5499704 ZARIFGBOQXMXSB-UHFFFAOYSA-N 378.457 2.794 0 40 GFAB COc1cccc2cc(C(=O)NCC3(N4CCSCC4)CCOCC3)oc12 1888857148 WHEIAVOXKOMKRU-UHFFFAOYSA-N 390.505 2.769 0 40 GFAB Cc1cc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)nc(C2CC2)n1 1889119611 DXQVQMHRMBPLID-UHFFFAOYSA-N 379.512 2.688 0 40 GFAB Cc1nnc2c(N3CC[C@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@H]43)nccn12 1889149304 MAMYVVNXJMIYQO-GXTWGEPZSA-N 389.385 2.562 0 40 GFAB Cc1cnc(N(C)[C@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)nc1 1889241337 HPKAIPHYMXVPCT-KRWDZBQOSA-N 397.504 2.623 0 40 GFAB O=C(Nc1ccc(-n2cccn2)nc1)C1CCN(C(=O)c2cccs2)CC1 29198245 MMJKQDAHFKYYIU-UHFFFAOYSA-N 381.461 2.820 0 40 GFAB FC(F)(F)c1nnc2ccc(N3CCC[C@H](COc4ccncc4)C3)nn12 1776001635 DAVIASRMXJAAEN-LBPRGKRZSA-N 378.358 2.834 0 40 GFAB CCc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 4251117 YGVOEERYWRVUPX-UHFFFAOYSA-N 385.427 2.895 0 40 GFAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC[C@@H](n2cnc3ccccc32)C1 585149333 IUTCYKZZMQUUMS-QGZVFWFLSA-N 393.472 2.858 0 40 GFAB CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2 755462 NGLZTOMMJLASLG-UHFFFAOYSA-N 392.502 2.935 0 40 GFAB CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(N)=O)c(Cl)cc1O 814190 BTQVODKWAGBXLQ-QGZVFWFLSA-N 387.823 2.695 0 40 GFAB C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1 920692 DNKIFNPZZCGATF-MRXNPFEDSA-N 393.553 2.968 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 2644014 WYEULLVEDAYKCK-QFIPXVFZSA-N 397.450 2.732 0 40 GFAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccn(Cc2ccc(Cl)cc2)n1 2787795 OIZCKCMQDUYFIK-UHFFFAOYSA-N 393.838 2.877 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1 32716658 LVTOFTHWTNOSDX-AWEZNQCLSA-N 399.472 2.800 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccccc1C 2632990 AFXCDTBTDRAHGL-OAHLLOKOSA-N 390.461 2.621 0 40 GFAB O=C(c1cccnc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 29830423 NQBUNVCZZMHGGL-UHFFFAOYSA-N 383.839 2.743 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 6818280 LKZBRELQCCLMHJ-UHFFFAOYSA-N 392.437 2.755 0 40 GFAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCCOC 8040994 NGGUKKOVTNHRSF-KRWDZBQOSA-N 386.448 2.868 0 40 GFAB COc1ccc2c(=O)c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1 8716800 MCYRLOPNUHGAPO-UHFFFAOYSA-N 382.416 2.526 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)c1csc(Cc2ccccc2)n1 47122434 TVEGYXBJHIKUMW-UHFFFAOYSA-N 376.445 2.640 0 40 GFAB O=C(COc1ccc(Br)cc1)NC(=S)Nc1cccc(CO)c1 676419 CXXFYRDEAXTXPX-UHFFFAOYSA-N 395.278 2.833 0 40 GFAB NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 23161472 CRCCGVYIQFFTRX-UHFFFAOYSA-N 391.251 2.809 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104749878 LTDCNTFCOOIILU-OEAJRASXSA-N 390.480 2.906 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1 23990471 YOQPGHXRUIHWMG-NSHDSACASA-N 394.424 2.853 0 40 GFAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NC[C@@H](c1cccs1)N(C)C)(C3)C2 101725585 KSJNSCXLBZJEMT-LWOAXLAHSA-N 389.565 2.942 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)CC1 100166355 DFKCBERYWXRRPT-RTBURBONSA-N 394.512 2.734 0 40 GFAB CCOc1ccccc1N1CCN(C[C@@H](O)COCc2cccs2)CC1 25515235 VXJJPKRBBMPKFF-QGZVFWFLSA-N 376.522 2.847 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 22264617 LSECKOPBZWGAFA-UHFFFAOYSA-N 399.428 2.849 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1C 57531979 FDQIQGPNAJJMFL-RISCZKNCSA-N 384.432 2.941 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)cc2)cc1 107762284 XZCKOXCJIYWNBF-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB CN(Cc1ccc(F)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12688350 CNFXJENASSDVPW-UHFFFAOYSA-N 388.830 2.596 0 40 GFAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)cc1 21123182 VXDLMPVJGUCHDL-IBGZPJMESA-N 394.519 2.627 0 40 GFAB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)cc1COc1ccccc1F 2110278 DSBIRTBUTMGDJM-VQIMIIECSA-N 397.406 2.825 0 40 GFAB biogenic CCOC(=O)c1c(N)sc2c1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]21 2254567 IQOIFVALVZGMDY-QWHCGFSZSA-N 376.478 2.855 0 40 GFAB Cc1csc(NC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 10554551 QRUGMQQPJOIFKC-UHFFFAOYSA-N 393.412 2.777 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2nn(-c3ccccc3)cc2OC)n1 11170928 QHXKTAZAXCEPHL-UHFFFAOYSA-N 386.433 2.695 0 40 GFAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCn1c(=O)oc2ccccc21 12858121 RFZYAVDHDVVJJM-UHFFFAOYSA-N 393.443 2.535 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN[C@@H](C)CCc1ccccc1 12809541 VCFNHZKZVPPYCA-HNAYVOBHSA-N 375.538 2.970 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 12939102 PVFOXEDOSBAMKO-UHFFFAOYSA-N 376.459 2.763 0 40 GFAB Cc1cc(Br)ccc1N1C[C@@H](C(=O)Nc2nncs2)CC1=O 12926005 FNAGMALBJMMEOG-VIFPVBQESA-N 381.255 2.601 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CCOCC2)nc1 12903176 PIKCHWIGMSYZCW-FQEVSTJZSA-N 392.459 2.821 0 40 GFAB Cc1cc(NC(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)no1 22804702 CXIMRZRLJPKLBC-UHFFFAOYSA-N 382.386 2.758 0 40 GFAB N#Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)cc1 6104094 MEUQFRAWFOAUCB-UHFFFAOYSA-N 387.395 2.623 0 40 GFAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C1CC1 14093458 JJWNXZABVSWMSN-CQSZACIVSA-N 387.509 2.877 0 40 GFAB COc1ccccc1-n1ccn(CC(=O)Nc2cccc(Cl)c2C)c(=O)c1=O 22726431 DEDRFYKZQDMCPO-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCCCO)ccc23)cc1 6623811 UNIGUVKVUXFSTE-CQSZACIVSA-N 397.427 2.735 0 40 GFAB biogenic O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NCc1ccc(C(=O)O)cc1 9026919 DQUOGKSFNXWRGZ-UHFFFAOYSA-N 393.428 2.613 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)cc1 67235830 RYLIOJCPGXERAZ-GFCCVEGCSA-N 386.477 2.548 0 40 GFAB COc1ccc(C(C)=O)cc1CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 7735030 URCYGFTZOJORQX-UHFFFAOYSA-N 375.446 2.921 0 40 GFAB CCCCNC(=O)COC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C 7732188 ODHGKZQIPFGYBR-QFIPXVFZSA-N 398.503 2.983 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1ccc(Cl)cc1 7831211 YABMRGIJINADSZ-UHFFFAOYSA-N 382.851 2.914 0 40 GFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 8059060 DKTGAWXFBNIMEG-GFCCVEGCSA-N 379.434 2.515 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3I)C(=O)[C@@H]12 408756875 UVIBTAFZXULIMN-CRJCFHLZSA-N 395.196 2.514 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 9586809 CHNRLQPHHADKLF-UHFFFAOYSA-N 399.472 2.587 0 40 GFAB COc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C(=O)O 95451676 DXLUUNSJIDCHBF-UHFFFAOYSA-N 384.772 2.858 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1cncnc1-c1ccccc1 95466304 IKWFCLBAYCZCPK-UHFFFAOYSA-N 375.431 2.793 0 40 GFAB CSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245810 APJRXBCAXQPXLE-UHFFFAOYSA-N 379.507 2.903 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc(C)c2C)cc1 28209467 GYWDVODDUUOEED-SFHVURJKSA-N 386.473 2.930 0 40 GFAB Cc1cc(=O)[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccccc3C(=O)O)cc12 218819852 KLEQDWLNGNRVKQ-UHFFFAOYSA-N 392.820 2.989 0 40 GFAB COC[C@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217613609 NGMNBJNCVPKLJQ-KBPBESRZSA-N 392.477 2.871 0 40 GFAB COc1ccc(CCC(=O)N2CCN(c3cc(-c4cccnc4)n[nH]3)CC2)cc1 62007426 DKXDIANGHOCZNC-UHFFFAOYSA-N 391.475 2.762 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1 70655851 GZKACJJLWJCZRC-SDNWHVSQSA-N 395.484 2.809 0 40 GFAB CCN(CC)CCCNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120076 PNVFBOMEBWJGRZ-MRXNPFEDSA-N 399.457 2.902 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1c(O)c2sccc2[nH]c1=O 49409562 MTAPZJIKFZPBDC-UHFFFAOYSA-N 383.473 2.690 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1 193751913 YLRQOKLYYXDWFE-UHFFFAOYSA-N 387.505 2.687 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(C)=O)cc1OC 222745231 CISQYHBSRPKFDJ-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB CCSc1nc2n(n1)[C@H](c1cnn(C)c1)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 226439916 CUODOWOBTTYGSB-DAXOMENPSA-N 397.508 2.782 0 40 GFAB CCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC 224697692 NKCUKHYZHMKABR-UHFFFAOYSA-N 378.450 2.522 0 40 GFAB C[C@H]1CN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC2(CCOCC2)O1 574008086 OLOJPWYUAMODKJ-HNNXBMFYSA-N 390.480 2.672 0 40 GFAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc21 223113887 ACHCJPFLPHIEME-UHFFFAOYSA-N 381.498 2.569 0 40 GFAB O=C(NCc1ccccc1Cl)c1cnc(O)n(Cc2ccccc2F)c1=O 77099858 LYMZNZMICQVGBM-UHFFFAOYSA-N 387.798 2.720 0 40 GFAB COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)nc2ccccn2c1=O 96117992 VPPMQUNZHARAQY-JTQLQIEISA-N 378.306 2.512 0 40 GFAB O=C(N[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)[C@@H]1CCOC1 96079075 ARRVTCHOCUNICD-VQIMIIECSA-N 378.476 2.612 0 40 GFAB CC(C)(C)c1nnc(CNS(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)s1 579708754 NOZKMQRTSCKOOU-UHFFFAOYSA-N 389.886 2.666 0 40 GFAB Cc1ccc(OC2CCN(C(=O)c3cncc(Br)c3)CC2)nn1 96119395 IJPAWEIYVKPLGW-UHFFFAOYSA-N 377.242 2.626 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)ccn1 257243650 IHYBEMFFKQODMO-HNNXBMFYSA-N 395.438 2.978 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 253404193 QVMNPHGADVXUMJ-NRFANRHFSA-N 391.515 2.677 0 40 GFAB biogenic,in-vitro CCCC[C@H](CC)CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 260841703 BRSYJPDPUQACDW-MAUKXSAKSA-N 382.526 2.855 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 1625529130 PBPGRBZRXGWFGQ-MRXNPFEDSA-N 383.492 2.922 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)NCc2c(C(F)(F)F)cnn2C)n1 623777411 DLRXGRRUUNZXGR-UHFFFAOYSA-N 392.385 2.932 0 40 GFAB CCN1C[C@H](NC(=O)c2occc2CN2C(=O)Cc3ccccc32)C(C)(C)C1 1646585601 APJGLOGKZVBKMG-SFHVURJKSA-N 381.476 2.829 0 40 GFAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCC[C@](O)(C2CC2)C1 663751155 YMJYAQPZIKLFPM-OAQYLSRUSA-N 393.478 2.876 0 40 GFAB O=C(NC1(c2ccc(Br)cc2)CC1)c1cnc2n(c1=O)CCS2 65873693 HJNZACQGESVTPH-UHFFFAOYSA-N 392.278 2.531 0 40 GFAB O=C(N[C@]12CCC[C@@H]1N(c1ccc(C(F)(F)F)nn1)CC2)[C@@H]1CCCOCC1 1615611424 LPPIPPHOPLGKKZ-XUWXXGDYSA-N 398.429 2.930 0 40 GFAB Nc1nc(COC(=O)CCC(=O)c2cccs2)nc(Nc2ccccc2)n1 5259187 WYCALQKVOSXPOM-UHFFFAOYSA-N 383.433 2.965 0 40 GFAB CCN(CC)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 15359542 KZBWCDQTGMUHAS-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 16083905 QFHCMDZCMAUZJT-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349241 RQZASVBYNQMENG-IBGZPJMESA-N 396.466 2.541 0 40 GFAB Cc1cc(=O)n(CCC(=O)NCCc2nc3ccccc3n2C)c2ccccc12 19566554 AMOZCKMSSGTDNN-UHFFFAOYSA-N 388.471 2.946 0 40 GFAB COc1ccc(C(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)cn1 19708413 SXTWORGXYHZOHI-UHFFFAOYSA-N 394.475 2.645 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)CCCOc2ccccc2F)CC1 19287847 PAJYXMINAHCGHO-UHFFFAOYSA-N 375.444 2.543 0 40 GFAB CCOc1cc2c(cc1CN1C[C@@H]3CCC[C@H](C1)C3(O)c1nccn1C)OCO2 19532416 LEMBBSUTIAFCSO-AQKKSAQBSA-N 399.491 2.667 0 40 GFAB CCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 11411684 UWFOBKLEOAQGBJ-CQSZACIVSA-N 387.505 2.506 0 40 GFAB O=C([C@H]1CCc2ccccc2O1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888859534 LLOXDQHEXGCGDN-OAHLLOKOSA-N 392.381 2.538 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCc3ccccc32)cc1 16471863 CIWVVJNFWZIZIB-PMACEKPBSA-N 384.501 2.952 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)NCCc3cn4ccccc4n3)CC2=O)c1 23319173 CMPCTVFSPJJXQJ-HNNXBMFYSA-N 394.500 2.768 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1 31547160 BOAITXPDGGLSDG-UHFFFAOYSA-N 387.486 2.563 0 40 GFAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)c1cc2ccccc2oc1=O 2037849981 AQPZUTDSMNUELO-UHFFFAOYSA-N 394.427 2.756 0 40 GFAB CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccco1 4036008 YGOJYOUMJZWTOG-INIZCTEOSA-N 375.450 2.985 0 40 GFAB O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NCc1ccccc1 4853294 OXEMPAPZMQALQZ-UHFFFAOYSA-N 387.411 2.919 0 40 GFAB O=C(c1ccc(F)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697498 SHIAHWYSOPYNPW-UHFFFAOYSA-N 378.411 2.717 0 40 GFAB Cc1csc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)n1 11739238 XQERLBWIGPFKGB-UHFFFAOYSA-N 375.435 2.818 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2cccs2)n1 12006434 UZXOMGMKWAHCHG-UHFFFAOYSA-N 381.417 2.767 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccn5)no4)ccn3n2)cc1 16841972 CLCSNKKVYKCFOQ-UHFFFAOYSA-N 384.399 2.965 0 40 GFAB CN([C@H]1CCCN(Cc2ccc(Br)cc2)C1)S(=O)(=O)C1CC1 2086889628 DQASHFKVVIMOAG-HNNXBMFYSA-N 387.343 2.838 0 40 GFAB CC[C@@]1(C)CC2=C(CO1)S[C@H]1N=NN(CC(=O)NCc3ccco3)C(=O)[C@H]21 35323853 MZTMBVBBWFQEPU-NUJGCVRESA-N 390.465 2.637 0 40 GFAB Cc1cccc(CS(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c1 43955760 GYOYLTQHXNWGPK-UHFFFAOYSA-N 381.542 2.635 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575610101 SHEHJQMJFBGRHY-DZZUKKPASA-N 379.869 2.974 0 40 GFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 50027690 ZFLBXJABAWXTGR-LJQANCHMSA-N 395.503 2.913 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)S(=O)(=O)Cc1cc(C)on1 40106396 RFGCTSLSIIAPPD-LLVKDONJSA-N 386.857 2.895 0 40 GFAB CN1CCN(C(=O)c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)CC1 20388905 ADNJQMHULUVTNA-UHFFFAOYSA-N 380.275 2.591 0 40 GFAB O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCCCCC1 20807748 KNTZOHILSAOZOA-UHFFFAOYSA-N 386.521 2.961 0 40 GFAB Cc1nn(CCNC(=O)Cn2nc(C)c(Br)c2C)c(C)c1Cl 84013888 PEIVVKKFGWWKAM-UHFFFAOYSA-N 388.697 2.546 0 40 GFAB O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCCC[C@H]1C1OCCO1 60348871 PHXYSYZURPKTRA-LBPRGKRZSA-N 397.827 2.858 0 40 GFAB O=C(COc1cccc(NS(=O)(=O)c2ccccc2F)c1)N1CCCC1 32628543 ATRBFTUMMAREFB-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB CC(=O)O[C@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4029794 BNYMWYFDNNGEAG-TXTZMMAHSA-N 382.453 2.795 0 40 GFAB CCOc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1 4400244 BVNKGWYCRAJWJC-UHFFFAOYSA-N 398.511 2.581 0 40 GFAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1C 32809430 UKKCAJIHHKXPOC-UHFFFAOYSA-N 393.553 2.571 0 40 GFAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1Br 4944521 OVOBGZSYPOWMEX-SECBINFHSA-N 380.267 2.739 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(Cl)cccc1Cl 6378433 ZULSLPZKCHVFMM-ZDUSSCGKSA-N 375.277 2.976 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12257957 SFRZGGYZPSKAQW-CYBMUJFWSA-N 378.425 2.772 0 40 GFAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCN(c2ccccc2O)CC1 22085063 LRCLRQAXIKALBB-KRWDZBQOSA-N 379.460 2.632 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 47101867 WBBGOXZTQHXUCU-LJQANCHMSA-N 394.523 2.887 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(Cn2cccn2)cc1 47176947 GUXBIPVPPSITJT-UHFFFAOYSA-N 375.436 2.557 0 40 GFAB CN1CCC(Nc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 103251725 PJBQSUGYCHCGNZ-UHFFFAOYSA-N 380.448 2.776 0 40 GFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CCCCC1 22618499 VYOUFNXUIKENLW-SFHVURJKSA-N 390.480 2.728 0 40 GFAB O=C(C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl 9926563 SCCWJBZNYFVCLT-MRXNPFEDSA-N 392.887 2.511 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20110754 YJTWBAZSKAWBGV-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB Cc1noc(-c2ccc(C(=O)OCC(=O)N[C@H]3CCOc4ccccc43)cc2)n1 22977910 CGLVPOVIFXOPEZ-KRWDZBQOSA-N 393.399 2.842 0 40 GFAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 958835 RIXZXZHNNFRVIY-NSHDSACASA-N 384.461 2.625 0 40 GFAB Cn1c(=O)n(CCC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c2ccccc21 23385791 IBLILBSQDKFISA-JOCHJYFZSA-N 393.487 2.702 0 40 GFAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCC[C@@H]1C(=O)Nc2ccccc21 23628531 GWSPUYBSGJICQC-RDJZCZTQSA-N 377.444 2.820 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2F)CC1 12564249 OLQIVRFYZWOZDD-GOSISDBHSA-N 385.464 2.977 0 40 GFAB O=C(CN1CCN(c2ccccc2)CC1)NCCc1nc2ccccc2s1 12517008 CQIHKQCEFLGDGU-UHFFFAOYSA-N 380.517 2.777 0 40 GFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCCc1cccnc1 12521636 GMVVDGJQGVDHME-UHFFFAOYSA-N 387.439 2.970 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NCCC(C)C)c1 12523452 AJVFQVBKMFTTNI-UHFFFAOYSA-N 399.557 2.551 0 40 GFAB Cn1cnnc1CNC(=O)c1csc(-c2cc(Br)cs2)n1 57995157 HLELAINZWPOKPH-UHFFFAOYSA-N 384.284 2.693 0 40 GFAB O=C1CN(c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cn2)CCN1 27270599 NTJJRKDFQVCVCV-UHFFFAOYSA-N 379.247 2.506 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NCc4cccs4)CC3)nn2)n1 62163408 BZYQUIWOZLYELK-UHFFFAOYSA-N 396.520 2.873 0 40 GFAB CC[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 3378669 VQBAKHWCUHGKKU-AAEUAGOBSA-N 378.416 2.773 0 40 GFAB Cc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2F)n1 58441466 OIGIIJVNVNYYAA-UHFFFAOYSA-N 392.390 2.945 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 12809695 KKNGQOSETFLXEZ-AWEZNQCLSA-N 384.307 2.580 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC[C@H]3CCCO3)cc2)CC1 17081358 YQVWECQLJUSNGJ-MRXNPFEDSA-N 397.566 2.573 0 40 GFAB CN(CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc2c(c1)OCO2 3491499 HEPHXPSKHWSSIW-UHFFFAOYSA-N 376.840 2.696 0 40 GFAB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1OC 3544713 KJOXQZFJCWHDAS-ZDUSSCGKSA-N 385.416 2.847 0 40 GFAB COc1ccc(CC(=O)N(C)CCOc2ccccc2F)c(OC)c1OC 12900677 FWJJSKUTCJBNDI-UHFFFAOYSA-N 377.412 2.931 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)c(C)c3)CC2=O)c1 13016922 RFHJKYYPQJDBOY-HNNXBMFYSA-N 381.432 2.954 0 40 GFAB Cc1cc(C)cc(Oc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)c1 13511537 SVZSQZIYQOVHPX-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB CC(=O)c1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 4270544 ARDWRIBICTZWLA-UHFFFAOYSA-N 387.866 2.747 0 40 GFAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccco1 408620864 KJOKNLAICQHDBP-UHFFFAOYSA-N 387.490 2.984 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17743715 XBOJNRWDJPKSCB-UHFFFAOYSA-N 388.493 2.598 0 40 GFAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Br)o1 5463808 UXUCRNPBJBIRDQ-HNNXBMFYSA-N 394.221 2.799 0 40 GFAB CC(C)COC(=O)N1CCCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 69930313 RMOUNWIKBIJADQ-UHFFFAOYSA-N 390.440 2.589 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1NC(C)=O 6587007 AJNNAGLBPNQXEE-UHFFFAOYSA-N 392.433 2.616 0 40 GFAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 6508242 YIKMZMWBPWSPLS-HXUWFJFHSA-N 380.444 2.942 0 40 GFAB COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 8719353 FDIXZAPHXNAMPT-UHFFFAOYSA-N 376.478 2.744 0 40 GFAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 6974891 JKGNBTDYBYVGFX-MQDFFIGUSA-N 383.275 2.856 0 40 GFAB CCOc1ccc(OCCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1 15225177 BNDFJVWIOLNCHB-UHFFFAOYSA-N 375.396 2.853 0 40 GFAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCc3c[nH]cn3)ccc12 9059981 GNONWOUPKXLQAL-UHFFFAOYSA-N 383.448 2.905 0 40 GFAB CC(C)[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NC(N)=O 7843970 KLBNFOKCUNKAIA-CYBMUJFWSA-N 379.511 2.577 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(Nc1cc(C)ccn1)C(F)(F)F 19944434 DWIPBDNXSWFKCP-KRWDZBQOSA-N 381.354 2.972 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 29907704 VJJLZZOHRRUNOS-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB CCC(CC)[C@H](NC(=O)c1cccc(I)c1)C(=O)OC 72300916 OHGNQZVVMYNVCW-ZDUSSCGKSA-N 389.233 2.999 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)c1 72333965 GPPHVKSWYMJQCJ-UHFFFAOYSA-N 395.333 2.965 0 40 GFAB O=S(=O)(NC1CCN(CCOc2ccc(F)cc2)CC1)c1cccc(F)c1 79062428 AWPBJDRUKFOOQU-UHFFFAOYSA-N 396.459 2.787 0 40 GFAB COC[C@@](C)(CCO)NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 79025838 MOEZMGAEBCFYAW-LJQANCHMSA-N 380.872 2.593 0 40 GFAB COc1ccc2c(ccn2CCC(=O)N2CCN(CCc3ccncc3)CC2)c1 79464831 SUOSJTIDZBPBFK-UHFFFAOYSA-N 392.503 2.822 0 40 GFAB Cc1cnn(C2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)CC2)c1 95958672 XNPGUIMOZYAIRJ-MRXNPFEDSA-N 381.480 2.592 0 40 GFAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCCc3ccccc3)CCOCC2)o1 1547138468 AZNZYADWJUCDET-UHFFFAOYSA-N 385.460 2.841 0 40 GFAB biogenic COc1ccc(Cl)cc1C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 35594958 HPXGZEHEFCFAMR-SFHVURJKSA-N 388.851 2.679 0 40 GFAB CC(C)N1C[C@]2(CCN(Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O 306125201 CJAYXMIBSWRJLX-HXUWFJFHSA-N 387.505 2.518 0 40 GFAB O=C(NCc1ccncc1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955248 HRUCCNDXIAOCCL-UHFFFAOYSA-N 377.448 2.660 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCN1Cc3ccccc3C1=O)CC2 524734476 JITMODSITWNYSP-SFHVURJKSA-N 380.444 2.853 0 40 GFAB Cc1cnc(C(=O)N2CCC(c3nc(C)c(C)c(N4CCCC4)n3)CC2)cn1 72337153 UZLCEMZLBQEZSX-UHFFFAOYSA-N 380.496 2.812 0 40 GFAB COc1ccc(Oc2nccnc2C2CCN(C(=O)Cn3cccn3)CC2)cc1 72363097 RIPTVIJPNBIUBS-UHFFFAOYSA-N 393.447 2.880 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccncc3)C2)cc1 72345950 ZAMIOBQTWYYTEH-GOSISDBHSA-N 388.475 2.599 0 40 GFAB COc1ccc(NC(=O)NCCNc2cc(N(C)C)nc(C)n2)cc1Cl 38670714 APMJCSZAZOWYOE-UHFFFAOYSA-N 378.864 2.747 0 40 GFAB O=C(Cn1ccc2ccccc21)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225727348 IPBBRTNUNAPEEX-UHFFFAOYSA-N 389.381 2.799 0 40 GFAB COCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)ccc2[nH]1 44892930 UGZWLIIDYFECBI-CYBMUJFWSA-N 394.431 2.710 0 40 GFAB CCCCNC(=O)N1CC[C@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 96225788 RPWUIMAVMLJDMY-IERDGZPVSA-N 386.496 2.637 0 40 GFAB O=C(O)Cc1cc(I)cc(I)c1 95760983 HVPNBWJLLIWHGE-UHFFFAOYSA-N 387.942 2.523 0 40 GFAB CCc1cnc(N2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)nc1 96260438 IFAGORWRKWGKRQ-UHFFFAOYSA-N 382.512 2.561 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccc(F)cc1)C=C2 96231869 KFEQKLSJAVNOBW-UHFFFAOYSA-N 384.407 2.515 0 40 GFAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3cnccn3)[C@H]1CCCCC(=O)N2 257253877 KAPZLSPPPXRTGC-LZNRXBQRSA-N 378.476 2.751 0 40 GFAB O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F 1606632808 IDPZAQAHPVRVNC-SCLBCKFNSA-N 381.411 2.904 0 40 GFAB O=C([C@@H]1CCc2ncncc2C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 648760406 WSTQSFJACXZJHF-QGZVFWFLSA-N 388.475 2.773 0 40 GFAB C[C@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)[C@@H]1Oc2ccccc2[C@@H]1C 660821282 YSGXWZRAYLAKQK-PJSUUKDQSA-N 379.460 2.806 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccco4)n(C)n3)CC2=O)cc1C 90607007 XLPQBHNYNHFHPU-MRXNPFEDSA-N 392.459 2.966 0 40 GFAB O=C(NCc1ccc(F)cc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 145404038 QYLDRBVEEVUWKL-UHFFFAOYSA-N 388.402 2.909 0 40 GFAB Cn1nccc1/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 585290515 XMWQKBIOGUUQCI-SUEBBETASA-N 381.476 2.800 0 40 GFAB O=C1CN(C(=O)c2ccc(I)cc2)c2ccccc2N1 3071273 FVROJTCARCLJQN-UHFFFAOYSA-N 378.169 2.890 0 40 GFAB COc1ccc(-c2csc(NC(=O)CSc3nnc(N)s3)n2)cc1 5019000 XOTPFSYXXCZEIL-UHFFFAOYSA-N 379.492 2.983 0 40 GFAB CCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)C1 5642767 JEUVJELJHKDDFD-INIZCTEOSA-N 394.479 2.790 0 40 GFAB Cc1cc(C)c(-c2cc([C@H](O)[C@@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@H]3O)on2)c(C)c1 5665575 DMYYEBJEPXKXRC-FKSLSLAPSA-N 375.421 2.538 0 40 GFAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)c1 14164671 AUBLVJIXJYGUQC-AWEZNQCLSA-N 394.460 2.796 0 40 GFAB COc1ccc(OC)c(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c1 19240302 RGBKXCYHRIBHSN-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB O=C(c1ccccc1F)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19347499 UFOVQTYOKRDURH-ZDUSSCGKSA-N 387.436 2.891 0 40 GFAB C[C@@H](CCc1ccc(F)cc1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 19455743 TWSIIEOXWGRDNG-AWEZNQCLSA-N 375.444 2.518 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)cc2n1 12221504 BELSJTBOIVNNFQ-NSHDSACASA-N 378.358 2.799 0 40 GFAB COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646762 QQJNIQAYUUHBGC-LSDHHAIUSA-N 388.416 2.698 0 40 GFAB biogenic,in-vitro COc1ccccc1NC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@H]2C1 1888904111 RTGBRUFRGDHSTE-HOTGVXAUSA-N 393.491 2.882 0 40 GFAB COc1cccc(-c2cc3c(=O)n(CC(=O)NC4CCCCC4)ccn3n2)c1 1888982133 XCXPICPVBSAPRQ-UHFFFAOYSA-N 380.448 2.621 0 40 GFAB COc1ccc(-c2ccc(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)o2)cc1 31611245 PVPZUHUQPUTDTC-HNNXBMFYSA-N 377.462 2.533 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cn1C 32097372 OJJVWZIGWXKXGM-UHFFFAOYSA-N 390.465 2.624 0 40 GFAB O=C(CCC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1)c1ccccc1 238966737 ZADVPILJYNRUBC-UHFFFAOYSA-N 395.846 2.896 0 40 GFAB O=C(CCC(F)(F)F)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988528 RJQYIOFRUDBFKJ-UHFFFAOYSA-N 388.361 2.893 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2ccc(Cl)cc2)nc(=O)[nH]c1C 5251688 DWZQVJKPJVGDJX-UHFFFAOYSA-N 381.841 2.639 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 9519144 HQRMWUOZVXUHRO-OAHLLOKOSA-N 387.528 2.732 0 40 GFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC[C@@H](c2cnn(C)c2)C1 1775965419 LJZMPTYSGBFFGU-MRXNPFEDSA-N 392.459 2.599 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1 4270514 WDTPPJURYVAUPZ-UHFFFAOYSA-N 380.491 2.726 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(CCc2ccccc2)CC1 40024205 NHLYYSKHNCNNIP-UHFFFAOYSA-N 383.492 2.722 0 40 GFAB O=C(CCNC(=O)c1ccco1)NCc1cccc(C(=O)Nc2ccccc2)c1 40106738 XMEQSXLCSYRIHF-UHFFFAOYSA-N 391.427 2.968 0 40 GFAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(CCc2ccccc2)CN3)cc1C 20395187 SKPYOZZHCDEFMF-UHFFFAOYSA-N 376.460 2.570 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1 32101797 PQHKRZFGIXOGKL-LBPRGKRZSA-N 386.843 2.641 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4[C@@H](C)CCC[C@H]4C)cnc32)cc1 1330690 KSJIGEZGCJILON-IYBDPMFKSA-N 379.464 2.680 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1C[C@@H]1CCCO1 1361226 IGZLUNDDGGMFQQ-AWEZNQCLSA-N 376.482 2.740 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ncccc2c1=O 32876467 QGRJDXTTXNKOJD-UHFFFAOYSA-N 376.388 2.820 0 40 GFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O 3596142 IQQCBZXEIJEDBI-QFIPXVFZSA-N 379.460 2.892 0 40 GFAB COc1cc(OC)cc([C@@H](NC(=O)NOCc2ccccc2)c2nccn2C)c1 29728607 YPFZBPBROOFNPP-LJQANCHMSA-N 396.447 2.958 0 40 GFAB C[C@H](CC(=O)Nc1cccnc1)CC(=O)N1CCN(c2ccccc2F)CC1 6958534 ZAIIOMWTIDLUHJ-MRXNPFEDSA-N 384.455 2.924 0 40 GFAB COc1ccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)cc1 7939888 GXBOZJZPMTXYLW-UHFFFAOYSA-N 376.453 2.796 0 40 GFAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)c1 57492499 HRDCLLXHSKVRDE-UHFFFAOYSA-N 399.516 2.993 0 40 GFAB COC(=O)Cc1c(C)[nH]c2c(-c3ccc(Br)cc3)c(C)nn2c1=O 10338598 MUYDPFDJRKJJJS-UHFFFAOYSA-N 390.237 2.784 0 40 GFAB CN1C(=O)N(CC(=O)NCCSCc2ccccc2)C(=O)C12CCCCC2 21930885 ILXUILCGVZADNV-UHFFFAOYSA-N 389.521 2.633 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1NC(C)=O 8941716 GPHPZUACEGCVQX-CQSZACIVSA-N 376.478 2.953 0 40 GFAB O=C(c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCCCCC1 33325422 CUGDLEKPEUVFQW-AWEZNQCLSA-N 393.534 2.987 0 40 GFAB CCOC(=O)C(=O)Nc1c(C)nn(Cc2ccc(Br)cc2)c1C 2788157 BABBUPDYIGDSJZ-UHFFFAOYSA-N 380.242 2.812 0 40 GFAB O=c1cc(CSc2nc3ccccc3o2)[nH]c2nc(-c3cccnc3)nn12 100071832 ANLQBRSNFLFXFL-UHFFFAOYSA-N 376.401 2.913 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2Cc1ccc(Cl)cc1 728178 UQRYSQOPHWBNTF-UHFFFAOYSA-N 387.871 2.505 0 40 GFAB COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)cc1OC 22785539 QZKRFCUIXGTVAZ-QGZVFWFLSA-N 383.492 2.849 0 40 GFAB Cc1noc(-c2ccc(C(=O)NCCN3CCN(c4ccccc4)CC3)cc2)n1 23194186 PHYPBALTOZPHAA-UHFFFAOYSA-N 391.475 2.597 0 40 GFAB O=C(Nc1ccccc1)N[C@@H]1OC(=O)C(Br)=C1Br 1021411 ALYFSEUVPAQSFA-SECBINFHSA-N 376.004 2.692 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23731268 CXVWWUAYXOTRBD-VGOFRKELSA-N 395.507 2.821 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccc2ccccc2n1 12554494 DMIAZRIBPSEBFB-CYBMUJFWSA-N 388.420 2.784 0 40 GFAB Cn1c(=O)c(-c2csc(-c3ccccc3)n2)nn(-c2ccc(F)cc2F)c1=O 1383291 FQJDNRGMFNSZLD-UHFFFAOYSA-N 398.394 3.000 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1OC 55651550 HBTXCVYITSNDDQ-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(Cl)ccc1-n1cnnn1 25181855 GCZZGJBTRXZEAO-UHFFFAOYSA-N 379.811 2.813 0 40 GFAB Cc1ccccc1C1(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)CCOCC1 55761104 IRBXSURQIPQKOR-IBGZPJMESA-N 394.519 2.866 0 40 GFAB CCN(CC)C(=O)CN1CCN(C(=O)c2oc3c(C)ccc(C)c3c2C)CC1 56968277 BUMJVVKSLVJWIK-UHFFFAOYSA-N 385.508 2.984 0 40 GFAB Cc1nc2nc(=S)[nH]n2c(C)c1CCC(=O)NCCCN(C)c1ccccc1 12554521 ZVYWGYVFUVFIRC-UHFFFAOYSA-N 398.536 2.979 0 40 GFAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548687 NJHPQJGMFBWDKI-UHFFFAOYSA-N 380.441 2.783 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 103097706 BLOIYAKGHXDXOX-HTAPYJJXSA-N 386.492 2.695 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 57478886 BYWWUMOLJZJCRR-UHFFFAOYSA-N 377.853 2.927 0 40 GFAB CCCNC(=O)CSc1nnc(SCC(=O)N2CCC[C@H](C)C2)s1 8247861 BWFRDAWDRBDPSK-NSHDSACASA-N 388.584 2.507 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2C)C1=O 57767967 DWNJXIPTHGYXOQ-NRFANRHFSA-N 397.479 2.513 0 40 GFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48248824 MKXYGZBVHWJTOC-OAHLLOKOSA-N 386.452 2.510 0 40 GFAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)nn12 12761232 UTQZHCYZNBQEJW-UHFFFAOYSA-N 378.417 2.743 0 40 GFAB CC(=O)c1c[nH]c(C(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)c1 11383508 ALIJLCWAQNXTDL-UHFFFAOYSA-N 391.383 2.926 0 40 GFAB COc1cc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)ccc1N1CCCC1=O 11446120 MKQQURWFNKCBTM-CQSZACIVSA-N 381.432 2.579 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccnn3Cc3ccccc3)CC2=O)cc1 12917644 BMIKRJLZYIYLMP-KRWDZBQOSA-N 390.443 2.932 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2cc(C)ccc2nc1C 12903245 XHEOZXHRCQCXEU-UHFFFAOYSA-N 397.500 2.831 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 12923760 SAVZXUAILSRVOP-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1C[C@H](C)O[C@H](C)C1 13136319 HCVYXPXPOUKNBC-TXEJJXNPSA-N 377.416 2.531 0 40 GFAB O=C(COc1coc(CN2CCCCC2)cc1=O)NCc1cccc(Cl)c1 49549820 XEFBUMWDGAMQAK-UHFFFAOYSA-N 390.867 2.974 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 4372263 ZONISTFUZMAWBM-UHFFFAOYSA-N 394.518 2.662 0 40 GFAB CS(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCOC2=O)ccc1Cl 65490181 IORBVLQIAUUMGN-UHFFFAOYSA-N 394.836 2.952 0 40 GFAB CN(Cc1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14197006 JYGYHNHOYGKTCB-UHFFFAOYSA-N 398.282 2.760 0 40 GFAB COc1cc2c(cc1OC)CN(Cn1nnn(C3CCCC3)c1=S)CC2 14246923 XVEFKWVRXRFXAQ-UHFFFAOYSA-N 375.498 2.957 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)COc2cccc(Cl)c2)cc1 5802430 ZNADIXOAFIPXMM-UHFFFAOYSA-N 376.796 2.859 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 9112017 VKHYGCHEBIPEIF-APWZRJJASA-N 393.487 2.913 0 40 GFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccncc1 71328762 ZXGHNHDMCZDICA-LJQANCHMSA-N 381.480 2.577 0 40 GFAB Cc1ccc(SCCNC(=O)CNC(=O)c2ccc(Br)o2)cc1 9889091 XWMSBBIMZRCCGQ-UHFFFAOYSA-N 397.294 2.989 0 40 GFAB COc1cccc(COC[C@H](O)CN2CCO[C@H](c3ccc(F)cc3)C2)c1 71850371 MZPUOAFWEYJTAM-CTNGQTDRSA-N 375.440 2.785 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 72284250 BZQMALMFBMZXDC-ABAIWWIYSA-N 386.851 2.808 0 40 GFAB COCCNC(=O)c1cn(CCc2ccc(OC)cc2)c(=O)c2ccccc12 72324831 XWDWGCRFZPIZPT-UHFFFAOYSA-N 380.444 2.629 0 40 GFAB biogenic CCOc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1OC 72306654 WZRAERYNDAUPRB-UHFFFAOYSA-N 398.503 2.981 0 40 GFAB O=C1CCCc2cc(C(=O)N[C@H](Cn3cncn3)c3ccccc3)ccc2N1 84522596 BOCUKNJKSNSYME-LJQANCHMSA-N 375.432 2.724 0 40 GFAB CC1CCC(N(C)C(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)CC1 95432359 MCOJGNBQFPBDNA-UHFFFAOYSA-N 378.605 2.514 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C1 95995466 GFUFTZOZLZRNAJ-GJZGRUSLSA-N 386.496 2.669 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)n(C)n1 95998481 JODOXDOGSHVBKJ-HXUWFJFHSA-N 393.491 2.804 0 40 GFAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cn2ccccc2=O)o1 25887130 PLZVSBORTUOANO-UHFFFAOYSA-N 391.427 2.768 0 40 GFAB CCc1ccc2c(c1)[C@H](CCNC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)N2 518354828 FHWONQSDRSQSBZ-LBPRGKRZSA-N 380.370 2.707 0 40 GFAB CO[C@H](CS(=O)(=O)N1CCNCc2c(C)cccc21)c1ccc(F)cc1 528047421 NTDVJAMNLCPGPW-LJQANCHMSA-N 378.469 2.761 0 40 GFAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 528970679 GSEMCCQUWHTYBW-FPZCKCJNSA-N 396.484 2.901 0 40 GFAB C[C@@]1(c2ccccc2)CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CCO1 530327871 PTWHNJRRJKNOAH-SFHVURJKSA-N 394.518 2.609 0 40 GFAB CCc1nccn1CCC(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 72348236 VYRDHQCYNRCMOB-UHFFFAOYSA-N 391.475 2.627 0 40 GFAB O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)N=c1[nH]c2ccccc2[nH]1 56903436 UBILRFGTBQUWOB-UHFFFAOYSA-N 391.406 2.767 0 40 GFAB COCCn1nnc2c(sc3nc(N4CCCCC4)c4c(c32)CCCC4)c1=O 32106575 ZOZJHDOFZJOVAN-UHFFFAOYSA-N 399.520 2.917 0 40 GFAB CNc1cc(Nc2nccc([C@H]3CCCN(Cc4cccnc4)C3)n2)ncn1 72377642 KJINJSACFMMLRY-INIZCTEOSA-N 376.468 2.827 0 40 GFAB CSc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 38852585 XMSZXXDZVHJRLZ-QGZVFWFLSA-N 392.502 2.883 0 40 GFAB COc1cccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 223886042 RHIODTLTWRIJRV-UHFFFAOYSA-N 388.489 2.951 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1N1C(=O)CCC1=O 225108728 LFYWOWNEPPOFEV-UHFFFAOYSA-N 396.509 2.842 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223563371 BNRSPTAKWAAAHS-STQMWFEESA-N 384.324 2.870 0 40 GFAB Cc1cc(C)c(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 224838347 WJCBEWUSWVNWQK-UHFFFAOYSA-N 391.445 2.663 0 40 GFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(Cn2ccnc2)cc1 225752939 UZHUZJKZVZKCHI-UHFFFAOYSA-N 390.491 2.931 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc3ccccc23)Oc2ccccc21 222870311 VYAWCBXPNIMURB-FQEVSTJZSA-N 396.468 2.683 0 40 GFAB CC(=O)N[C@H](C)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257268381 MLLDXEVFQKJFBS-CACPTPCDSA-N 386.492 2.677 0 40 GFAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccnc4)OCC[C@@]31C2 257295172 QXGGFXJVRFAZKE-MFUCOGHRSA-N 385.508 2.548 0 40 GFAB CCN1CCN(c2ccc(C(=O)N(CC)C[C@H]3CCCN3CC)cc2F)CC1 585083140 YEXDNOGLVFPEJI-LJQANCHMSA-N 390.547 2.914 0 40 GFAB CCc1nnsc1C(=O)N1CC[C@H](Cc2cncc(-c3c(C)noc3C)n2)C1 257246522 IUMJDQIICLJSNH-CYBMUJFWSA-N 398.492 2.867 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)n1 390828348 QOUBDLWRALDIDQ-QGZVFWFLSA-N 397.475 2.866 0 40 GFAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cc(O)nc2ccccc12 390830013 IDFQZGOMIHVMRK-SNVBAGLBSA-N 391.353 2.587 0 40 GFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Nc3ccccc3F)CC2)c1=O 575606555 LXVFHPLRRDBQNE-UHFFFAOYSA-N 387.337 2.609 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 575406318 ZRWFTXKSRLKGMH-QGZVFWFLSA-N 388.418 2.646 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 585102142 CJQRUZSRLJGYOK-UHFFFAOYSA-N 382.464 2.731 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21)N1CCCC1 585111486 BSJQRCMSLQEUFJ-MRXNPFEDSA-N 375.423 2.524 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615130515 PEXLLNVHJYXPQC-UHFFFAOYSA-N 386.471 2.574 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)NCc3ccccc3F)c(=O)n12 12181899 UMJABGGLQSSZIN-UHFFFAOYSA-N 393.422 2.623 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 12472132 HCGXLWVSOFVHNR-YOEHRIQHSA-N 382.512 2.524 0 40 GFAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)NCc3ccco3)nc2-c2ccco2)on1 13226175 TXWICFOFBCGXJI-ZDUSSCGKSA-N 394.387 2.937 0 40 GFAB O=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 13636607 LLUKCYRLKMDBNX-IBGZPJMESA-N 377.444 2.669 0 40 GFAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 18179115 JUJRYFQPETYALS-CVEARBPZSA-N 399.878 2.961 0 40 GFAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCC(C)CC3)nc2-c2ccco2)on1 19121122 ZSFYWWAXUCEGEM-UHFFFAOYSA-N 382.420 2.725 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3N3CCCN23)cc1 19169505 VIWZXRJBDUVHCE-AABGKKOBSA-N 377.444 2.539 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19331606 KPRJGWZSIKHRLY-LAUBAEHRSA-N 384.501 2.841 0 40 GFAB CCN(CC)CCN[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 19370535 VYYIHPCQSYJEOS-AWEZNQCLSA-N 376.284 2.707 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@H](C)c2ccccc2)C3)CC1 19459367 WPCJNBBRRPSGJR-MRXNPFEDSA-N 392.503 2.891 0 40 GFAB COc1ccc([C@H](O)CN2CCC(N3CCC(C)CC3)CC2)cc1NC(C)=O 19496844 LPKQWLIJIUIFGD-OAQYLSRUSA-N 389.540 2.883 0 40 GFAB CC[C@H](C)NC(=O)CN1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 19499966 JGHDYMRVBUMKKQ-KYEXWDHISA-N 387.450 2.895 0 40 GFAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)Cc3ccccc3F)C[C@@H]12 19528271 JMRYJOOESVJABZ-XXBNENTESA-N 394.446 2.944 0 40 GFAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 34972972 YVIHEDOREHYRKU-OAQYLSRUSA-N 394.496 2.893 0 40 GFAB O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 101667661 JPZHZQVNJGTLMD-GASCZTMLSA-N 378.432 2.530 0 40 GFAB Cn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c(-c2ccco2)n1 613991652 BMXRPXPWIHOVLY-SFHVURJKSA-N 394.475 2.701 0 40 GFAB COc1ccc(OCC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12328692 FFJUFUSTHXJSAK-UHFFFAOYSA-N 394.431 2.925 0 40 GFAB CCOc1cccc2sc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc12 1889205973 QGQVUZSDGHPULT-UHFFFAOYSA-N 381.523 2.699 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4cnc5ccccc5n4)CC3)ncn2)n1 1889226153 UXIFIMQWZMRRAZ-UHFFFAOYSA-N 386.463 2.549 0 40 GFAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2N2CCCN12 19166888 UYAIITJPYFAEPS-QYZOEREBSA-N 397.862 2.884 0 40 GFAB COc1ccc(C)cc1NC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479720 RMRZJAFKVAGMMT-CQSZACIVSA-N 397.431 2.702 0 40 GFAB CCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 5136810 NJJLWRBKDQCCAQ-UHFFFAOYSA-N 394.518 2.980 0 40 GFAB Cc1cccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)c1 10255258 CVDZUOTWQGEQDE-INIZCTEOSA-N 399.516 2.950 0 40 GFAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C 12127195 QQOMKDKHPPCTJN-UHFFFAOYSA-N 381.411 2.770 0 40 GFAB O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1cc(F)ccc1F 23127527 WFMDLKDLEPBUMC-UHFFFAOYSA-N 393.459 2.993 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccccc5)no4)cnc32)cc1 33293058 XUZNZDNAOAQKGS-UHFFFAOYSA-N 384.399 2.989 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575610798 BCNUVTPFXCYMNO-JTQLQIEISA-N 397.403 2.502 0 40 GFAB NCCn1nc([C@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C2)c2cccnc21 19346698 YQZBZCVATCWQSA-HNNXBMFYSA-N 395.532 2.960 0 40 GFAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCCc1cccs1 40071962 RPCXGKGHKNXJOM-OAQYLSRUSA-N 397.500 2.796 0 40 GFAB CN(C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120130 CFPYJNOTZLGCIC-HNNXBMFYSA-N 399.457 2.758 0 40 GFAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 51236750 KBRZZMWUNTXMNK-GFCCVEGCSA-N 375.441 2.537 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1C 32081008 SNOMZESJNXULNF-CQSZACIVSA-N 388.445 2.542 0 40 GFAB O=C1CC[C@H](C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CN1 51573405 OXEGTLXCZDWBDV-ZETCQYMHSA-N 379.627 2.655 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2cc3c(OC)cccc3[nH]2)cc1 20763364 INKZJLLBPKWILW-AWEZNQCLSA-N 395.459 2.662 0 40 GFAB biogenic CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1cc(Br)cc2c1OCOC2 101720156 WULXCASKFZAFNL-SNVBAGLBSA-N 394.221 2.509 0 40 GFAB O=C(CCCCn1cnc2c(=S)nc[nH]c21)Nc1ccc(C(=O)O)c(O)c1 1575650 VBWYJYHALYDELZ-UHFFFAOYSA-N 387.421 2.702 0 40 GFAB COc1ccc([C@H]2c3cc4c(c(OC)c3C[C@@H]3OCC(=O)[C@@H]32)OCO4)cc1OC 1715360 XPWTYDWZZDAXDF-IHPCNDPISA-N 398.411 2.713 0 40 GFAB Nc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N)cc3N)c2)c(N)c1 2024734 HSDPDWYGIORXQZ-UHFFFAOYSA-N 376.420 2.520 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1 32741352 PMSXLRHPJKGSAZ-UHFFFAOYSA-N 377.444 2.717 0 40 GFAB C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(Br)c1 32796168 OTUTWJHOXJGLTD-CYBMUJFWSA-N 375.266 2.985 0 40 GFAB Cc1cc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)on1 32756809 IGYUBMFQMDUCFL-UHFFFAOYSA-N 394.431 2.786 0 40 GFAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102203917 GLBFXFWCXUATLV-WSMBLCCSSA-N 384.929 2.901 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)s1 4130569 HIMDOQPNNHNQHD-UHFFFAOYSA-N 390.494 2.815 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)cc1C 6679770 WIPLUHDXJVWKBX-UHFFFAOYSA-N 394.518 2.947 0 40 GFAB COc1ccc(OC)c(CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C2CC2)c1 52565568 JBBVKFAQDVDLCO-PZJWPPBQSA-N 388.508 2.838 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1 7786567 OLDWLQYRGQOEIA-UHFFFAOYSA-N 381.542 2.920 0 40 GFAB Cc1ccccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)CCC3=O)c2)CC1=O 7928596 FOSBAWLPLLIBPU-HNNXBMFYSA-N 392.411 2.607 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 8037109 WGRUUAIGBRYVRL-QGZVFWFLSA-N 394.427 2.732 0 40 GFAB O=C(Cc1csc(Cc2ccccc2)n1)N[C@H]1CCCN(c2ncccn2)C1 46425264 PPMHUMYCXLNVQM-KRWDZBQOSA-N 393.516 2.852 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)n2nc(-c3ccccc3)nc2N[C@@]1(C)O 7714591 WEMRBBSUMDJKDY-FVJLSDCUSA-N 378.432 2.848 0 40 GFAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)C[C@H](C)O1 22299939 BZWJLWAPTWCDTN-RYUDHWBXSA-N 375.450 2.733 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 103519947 PDXVZOZPMHGWND-ZFWWWQNUSA-N 389.180 2.881 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)c1 12296743 XYFHKXFGQWHVDT-INIZCTEOSA-N 377.444 2.888 0 40 GFAB biogenic C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1cnn(-c3ccccc3)c1)C2=O 23731023 PCLCPZRQDIZMNL-IERDGZPVSA-N 381.480 2.762 0 40 GFAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCN(C(=O)c2cccs2)CC1 24672753 BDEPUZQYVYHDTP-QGZVFWFLSA-N 387.505 2.932 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 24753808 HEDGKAWWDLKENK-HRCADAONSA-N 390.480 2.536 0 40 GFAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 24704997 UQFQWCVRWJVQQK-OAHLLOKOSA-N 379.420 2.804 0 40 GFAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(C)cc1Br 55611880 BWIGNXRIELBFOR-UHFFFAOYSA-N 399.266 2.666 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)CCC2 7888966 MXQMQUAQZDSEJQ-UHFFFAOYSA-N 393.487 2.723 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)cc1 25826321 OJVBXBMFJXPPCT-QGZVFWFLSA-N 395.503 2.594 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 57485844 ZNUWECYPMIQDSG-HNNXBMFYSA-N 399.516 2.772 0 40 GFAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)cc2oc1=O 2095593 RTLPAGCOGXXQDI-BBRMVZONSA-N 375.421 2.793 0 40 GFAB biogenic O=C(CN1CCN(C(=O)c2cc3ccccc3cc2O)CC1)N1CCCCCC1 28324765 GUVQMZUQISVXRE-UHFFFAOYSA-N 395.503 2.706 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)c2ccccc2O1 12785024 BPNGAEHFZBNYFU-HXUWFJFHSA-N 390.443 2.643 0 40 GFAB COc1cc(CC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc(OC)c1OC 12776536 LABOIPBVVPBEPH-UHFFFAOYSA-N 387.432 2.685 0 40 GFAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCN(c2cnccn2)CC1 11544399 NZIZFTUWZPHSJV-UHFFFAOYSA-N 382.395 2.750 0 40 GFAB CN1CC(=O)N(CCCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 7910870 KDYPJCQLKKMDHO-UHFFFAOYSA-N 381.432 2.878 0 40 GFAB COc1ccc(CCNC(=O)CSc2nc3ccc(C)cc3c(=O)n2C)cc1 48310804 VOGRLTDRXFCQBF-UHFFFAOYSA-N 397.500 2.702 0 40 GFAB CN(CCN1CCN(Cc2noc(-c3ccoc3)n2)CC1)Cc1ccccc1 68828433 MUBNLTJTXFABID-UHFFFAOYSA-N 381.480 2.579 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC(=O)N(CCc2ccccc2)C1 12899661 VLNGKVIUQVVTRZ-LJQANCHMSA-N 375.472 2.918 0 40 GFAB biogenic Cc1cc(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c(C)n1C1CC1 8131927 HRCDQLSHOGDVNL-UHFFFAOYSA-N 399.472 2.718 0 40 GFAB CCn1c(SCC(=O)NCC(C)C)nnc1-c1ccc2c(c1)OCCCO2 64987268 JBSOHGCIPYWRPZ-UHFFFAOYSA-N 390.509 2.991 0 40 GFAB NC(=O)C1(N2CCCCC2)CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1 5156045 VDPLPKGTBQTFQW-UHFFFAOYSA-N 396.470 2.560 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCOc1ccc(C)cc1 6237527 BFEAFQALHWPQTL-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)cc1 5265189 BTVASPVTDZOFJM-JOCHJYFZSA-N 379.460 2.893 0 40 GFAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCc2ccccc21 5255746 GRUAHWCIPKJAKC-UHFFFAOYSA-N 384.237 2.692 0 40 GFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1(C)C 14182377 NGSRWZGSWBIEJS-QZTJIDSGSA-N 394.512 2.897 0 40 GFAB CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2C 5561832 GWRYSFHVVBRLEU-HXUWFJFHSA-N 380.787 2.752 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1NC(C)=O 408562052 XJVKOAFLBNAJAE-UHFFFAOYSA-N 394.449 2.862 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)o1 5795574 WNWLFAHYKYDPSC-SUNKGSAMSA-N 390.408 2.918 0 40 GFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 7050970 YZBJYIMWNGPKQN-UHFFFAOYSA-N 379.381 2.910 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc2n1CCCCC2 7280688 RMSBOFRXQSGUDU-UHFFFAOYSA-N 388.493 2.526 0 40 GFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1 96299726 QDJPHNGEQDEMOF-IAGOWNOFSA-N 376.478 2.541 0 40 GFAB CCC[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1 9762659 COXPSGQELZDFQG-GOSISDBHSA-N 393.443 2.635 0 40 GFAB O=C(NCCCOC[C@@H]1CCCO1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 84452045 MVASIVSIXLEMJZ-KRWDZBQOSA-N 387.480 2.760 0 40 GFAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 20466168 GJORWROGMGCRDL-HXLMAOHPSA-N 378.557 2.963 0 40 GFAB biogenic,in-vitro COc1ccccc1CN(CCO)Cc1nnc(C(=O)Nc2ccccc2)s1 95454773 OWXUHCDPCUMISD-UHFFFAOYSA-N 398.488 2.794 0 40 GFAB COc1ccc(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@H](CO)C(C)C)cc1 95997305 AHFDWIKWTUJWMI-MAUKXSAKSA-N 394.512 2.954 0 40 GFAB Cc1nc2cc(C(=O)N3CCO[C@H](CC(=O)O)C3)ccc2n1-c1ccccc1 95970714 PHDFTYYPTFYMEY-QGZVFWFLSA-N 379.416 2.650 0 40 GFAB CN1CCN([C@@H](CNC(=O)NCc2cccs2)c2ccc(F)cc2)CC1 38631289 ULQLSUWCXZXDMY-SFHVURJKSA-N 376.501 2.675 0 40 GFAB O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)N1CCC(c2cnc[nH]2)CC1 530719978 GHVZJILXYCLKAQ-UHFFFAOYSA-N 397.504 2.948 0 40 GFAB CCOc1ccc(C(C)=O)cc1COC(=O)c1c(C)oc(C)c1S(N)(=O)=O 32928509 AEFPKHLVSFSXQX-UHFFFAOYSA-N 395.433 2.502 0 40 GFAB CNC(=O)c1ccc(OC(C)C)c(NC(=O)CCc2nc3ncccc3[nH]2)c1 72405016 MTYRVJGHRDZEOF-UHFFFAOYSA-N 381.436 2.676 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)cc1 223619832 JOTRLPVVCAYNIS-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COc1cccc(NC(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)c1OC 225637771 HGGMKVVEAAGTPK-OAHLLOKOSA-N 399.403 2.545 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 225939244 LQTABUUEPYTEJA-FOIQADDNSA-N 386.473 2.859 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 222872017 OUARLUIYHSOKKE-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(F)c(Cl)c1 225573220 KMYIICKNSVAFBO-CYBMUJFWSA-N 392.949 2.975 0 40 GFAB COC(=O)[C@H](NC(=O)C1=C(C(=O)O)CCCC1)c1ccc(OC)c(Cl)c1 199410629 ZFUXGRBQTWCRFU-OAHLLOKOSA-N 381.812 2.634 0 40 GFAB Cc1nn2c(nnc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(Cl)cc1 40395965 GBDHRUAFFSQKMD-UHFFFAOYSA-N 383.839 2.795 0 40 GFAB CN(C)c1ncc(-c2cc(C(=O)NCc3ccccn3)n(CC3CC3)c2)cn1 96147676 OXOJRPMGPDCXRP-UHFFFAOYSA-N 376.464 2.746 0 40 GFAB CC(C)Cn1cnc2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc43)cc2c1=O 95475658 VFQWGATWPHJVRH-LJQANCHMSA-N 390.443 2.866 0 40 GFAB O=C(c1ccc2c(c1)OCCCO2)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247823951 INIFFIIQKITVAB-MRXNPFEDSA-N 375.490 2.975 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257256221 KKNHPZMMYYPUSB-HNNXBMFYSA-N 375.856 2.761 0 40 GFAB CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257338255 YWQGFHPCIGRSNH-GPMSIDNRSA-N 392.883 2.772 0 40 GFAB Nc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1 263583845 BZSURCHRZIYBHU-SFHVURJKSA-N 396.516 2.772 0 40 GFAB Cc1noc([C@H]2CN(C(=O)N[C@H](C)[C@@H]3Oc4ccccc4[C@H]3C)C[C@@H](C)O2)n1 606444984 XIIWGVYJVNZGPX-QVCFSIDQSA-N 386.452 2.803 0 40 GFAB CN1CC2(CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)C2)C1 684173018 SIPYXVOKVRTGDQ-UHFFFAOYSA-N 375.270 2.617 0 40 GFAB Cn1nc(-c2ccccc2NC(=O)c2ccc(N3CCOCC3)cc2)ccc1=O 96119945 HPZITJHLJBZUTB-UHFFFAOYSA-N 390.443 2.536 0 40 GFAB CCn1nccc1-c1nc(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)no1 390828571 SBLUHCDONUYQDE-UHFFFAOYSA-N 395.467 2.575 0 40 GFAB O=C(c1ccnc(F)c1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 585108504 PKUMBDONBXLHCB-GHTZIAJQSA-N 385.439 2.844 0 40 GFAB COc1ccc(C(=O)[C@H](NCc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1547139674 XNVSGARAFPUWTQ-SFHVURJKSA-N 380.400 2.771 0 40 GFAB biogenic COc1ccc(NC(=O)[C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1 5030854 MFUCTDHQMBXEHF-SFHVURJKSA-N 386.404 2.853 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC(c2n[nH]c3nccnc23)CC1 12228495 NYKVGXJUBRCTJX-UHFFFAOYSA-N 393.447 2.513 0 40 GFAB O=C1CCCN1c1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 12327630 JWFBNGAGEKTXOP-NRFANRHFSA-N 398.478 2.970 0 40 GFAB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc(OC)c1OC 13131815 ACNTWVYZWQYGOK-INIZCTEOSA-N 388.424 2.544 0 40 GFAB O=C(CC[C@@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19406373 DQWCQJQWHMSNFP-AWEZNQCLSA-N 388.493 2.559 0 40 GFAB CCOc1ccccc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19520133 AATDGJXRMFVTFP-UHFFFAOYSA-N 380.492 2.883 0 40 GFAB Cc1nnc(S/C(=C\c2ccc(I)cc2)C(=O)O)[nH]1 8272287 ZMMACQPWKYOCKA-POHAHGRESA-N 387.202 2.936 0 40 GFAB COC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 509654417 UTULJHGCJKAOHV-QMTHXVAHSA-N 387.263 2.666 0 40 GFAB CC(C)NC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2 643575095 FWDCSWZEYQOASN-UHFFFAOYSA-N 382.460 2.554 0 40 GFAB CN1CCc2c(O)nc(C3CCN(C(=O)CCc4ccccc4)CC3)nc2C1 19590736 CEHVHENSFXUBDG-UHFFFAOYSA-N 380.492 2.509 0 40 GFAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 6842922 RDNHHDDXNHDUEO-FQEVSTJZSA-N 378.436 2.594 0 40 GFAB CC[C@H](C(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@H]2C1)c1ccccc1 1888897739 XEZXOVBXLXRRDK-FHWLQOOXSA-N 390.491 2.521 0 40 GFAB COc1cccc(CC(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1 1888906773 QEFLQXKKLNVGQA-UHFFFAOYSA-N 391.475 2.959 0 40 GFAB Brc1cccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 1889201593 UMSPBELIDFBENR-UHFFFAOYSA-N 399.296 2.747 0 40 GFAB O=C(Cc1cccc(F)c1)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 244986189 JJPHZZNMPQFOJW-UHFFFAOYSA-N 398.423 2.555 0 40 GFAB CN1C(=O)C2(CCN(c3ncnc4[nH]cnc34)CC2)C[C@H]1Cc1cccc(F)c1 2037844078 NQDGJCSDTKJWQU-MRXNPFEDSA-N 394.454 2.552 0 40 GFAB COc1ccc(N2C(=O)[C@@](NC(=O)c3cccs3)(C(F)(F)F)N=C2O)cc1 2373497 XEPPLBSFZABMGH-HNNXBMFYSA-N 399.350 2.706 0 40 GFAB COc1ccc(N2CCn3c(SCC(=O)Nc4nccs4)nnc32)cc1 9574049 OPJSBTWRDHVZKX-UHFFFAOYSA-N 388.478 2.626 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)CCc4ccccc4)cnc32)cc1C 10252158 LHNOUYHGGWJEMF-UHFFFAOYSA-N 387.443 2.902 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nnnn1-c1ccc(F)cc1 16891369 PIARPIDTVGOJNE-UHFFFAOYSA-N 389.818 2.929 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1F)(Nc1cccc(C)n1)C(F)(F)F 19944197 JGZSTIALOXNOCA-MRXNPFEDSA-N 385.317 2.803 0 40 GFAB O=S(=O)(c1cccnc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 35597693 VHXJZHYTNYBTBX-UHFFFAOYSA-N 388.424 2.839 0 40 GFAB O=C(c1cccc2c1OCCO2)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575616121 HEZQJCNGIAQCHU-HNNXBMFYSA-N 391.427 2.645 0 40 GFAB O=C1C[C@H](CN2C(=O)NC3(CCCC3)C2=O)CN1Cc1ccc(F)c(Cl)c1 2298048632 JWMNKBHCLSXMIM-ZDUSSCGKSA-N 393.846 2.692 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCc2ccccc21 12361058 FJEBKHVNPOZZEV-UHFFFAOYSA-N 391.449 2.618 0 40 GFAB COc1cccc([C@H]2CN(C(=O)COc3ccc(F)cc3)[C@@H]3CCCN[C@H]23)c1 19566414 WYOYMGWHLPEWOJ-KCZVDYSFSA-N 384.451 2.960 0 40 GFAB CC(C)[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)N1C(=O)c2ccccc2C1=O 40062768 UHWWAXOSMWZQCE-GOSISDBHSA-N 389.415 2.527 0 40 GFAB CCN1C[C@@H](CN(C)C(=O)c2cn(-c3ccccc3)nn2)Oc2ccccc21 40073863 ODDCHDUOZVHXSR-QGZVFWFLSA-N 377.448 2.627 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 40105049 KBVBTHZSLGTINX-ZDUSSCGKSA-N 380.466 2.603 0 40 GFAB Cc1nc2sc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c2c(=O)[nH]1 31865519 KZWRFXLIIISAKS-UHFFFAOYSA-N 382.489 2.559 0 40 GFAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(C)C 17055990 MXCVIIRWRKIVTQ-GFCCVEGCSA-N 389.901 2.934 0 40 GFAB CC(C)CN1C[C@@H](C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1=O 29780811 RZRKBLJGLVGLBH-INIZCTEOSA-N 386.414 2.886 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@@H](C)N1C(=O)c3ccccc3C1=O)CC2 1063780 WQMSBOMDUUDBEU-CQSZACIVSA-N 380.444 2.747 0 40 GFAB Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2nc1C 32740672 YNVIJFINFXAZGC-UHFFFAOYSA-N 384.461 2.749 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc1C 4984802 JAEXTBAOBNTPLS-LJQANCHMSA-N 377.444 2.893 0 40 GFAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6322493 YGCFYPIPVLOJHL-UHFFFAOYSA-N 390.505 2.801 0 40 GFAB COc1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)c(OC)c1 6952351 QNTHCPYXOWGGII-UHFFFAOYSA-N 376.434 2.848 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 59341431 QVDLOJVGLSDUQR-CQSZACIVSA-N 384.432 2.865 0 40 GFAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)NC(=O)NCc1ccco1 10140254 ZCRSIUNQNXERRQ-UHFFFAOYSA-N 380.448 2.966 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(CN2CCOCC2)cc1 29882244 RKSSAKRGUOKWMG-UHFFFAOYSA-N 378.476 2.644 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(C(C)(C)C)cc3)nc2n1 8283057 GWAMZWOJFRBMBT-UHFFFAOYSA-N 381.436 2.834 0 40 GFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1 9262330 SXQBNRNNCLJEPM-MOPGFXCFSA-N 393.443 2.798 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 170591589 PCFFHFGMZBUXOR-CPUCHLNUSA-N 396.390 2.661 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3cccc(OC)c3)c2[C@@H]1c1ccc(O)cc1 12321437 SWJFNRYSRXQIGQ-FQEVSTJZSA-N 379.416 2.983 0 40 GFAB COc1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)c(OC)c1 54838248 GGGBJPXMDRFBCU-UHFFFAOYSA-N 378.432 2.609 0 40 GFAB COC(=O)c1cc(OS(=O)(=O)c2ccc(C)cc2Cl)cc(C(=O)OC)c1 25048353 RCVMCEJAHXDCFQ-UHFFFAOYSA-N 398.820 2.989 0 40 GFAB Cc1cnc(C(=O)N2Cc3nc4c(C)c(-c5cccs5)nn4c(O)c3C2)cn1 100215507 VABROESVNCDHPK-UHFFFAOYSA-N 392.444 2.726 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Br 57412454 VOPOPKBRMZJCDA-UHFFFAOYSA-N 396.262 2.987 0 40 GFAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cnc(N(C)C)nc2)C3)cc1 100766791 VKAVXIZDPXYJMJ-OALUTQOASA-N 382.508 2.671 0 40 GFAB O=C(O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 113877278 KSOVPBYAIBOCRU-UHFFFAOYSA-N 388.214 2.868 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)Nc1cc(CC2CCCCC2)n[nH]1 57985204 ZQNPVCUMZYHOOO-UHFFFAOYSA-N 380.452 2.666 0 40 GFAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)ccc21 58143387 ATYYCCMPLZRTJY-QGZVFWFLSA-N 398.507 2.705 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)NC4CCCCC4)C3)nn2)n1 62163914 VZTKINUFYQHYMW-QGZVFWFLSA-N 382.512 2.944 0 40 GFAB C[C@H]1CCN(C(=O)CN2CCN(c3ncccn3)CC2)c2ccccc2S1 36384827 CSPFFLGTNVTLKG-INIZCTEOSA-N 383.521 2.516 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Br)c1 3353110 WRTJCLSSNWRULV-UHFFFAOYSA-N 377.194 2.546 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccsc2)CC1 29156587 GXSGXZXPFQAHGK-HNNXBMFYSA-N 387.505 2.664 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1F 48247934 HOXZJUSGZCIZAX-KUHUBIRLSA-N 384.455 2.556 0 40 GFAB COc1cc(COC(=O)c2ccnc(-n3cncn3)c2)ccc1OC(F)F 48311842 LWKIWQCVFLTGOX-UHFFFAOYSA-N 376.319 2.629 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)C(=O)NCCCN2CCC(C)CC2)c1 48355329 PGGWSPKHUDJOTL-UHFFFAOYSA-N 391.512 2.661 0 40 GFAB COC(=O)Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 12820213 GAUUZGQDGSGVDO-UHFFFAOYSA-N 382.416 2.545 0 40 GFAB Cc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 12883840 MSHCNHFAICVGJM-OAHLLOKOSA-N 392.452 2.844 0 40 GFAB CN(C)C(=O)[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12846470 YMJRJAGRCAIUOK-OAQYLSRUSA-N 380.444 2.729 0 40 GFAB CC[C@H](C)[C@@H](CO)NC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 13692371 MKUALWFGRMZIIZ-FXAWDEMLSA-N 382.504 2.848 0 40 GFAB CNC(=O)NC(=O)[C@@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 6110535 CAFKNFGJDQONCW-INIZCTEOSA-N 381.461 2.865 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(Cc2ccccc2)CC1 5304982 MVCKXQFHISXNGD-UHFFFAOYSA-N 392.455 2.953 0 40 GFAB biogenic O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(Cc2ccccc2)CC1 14171873 LJAZQYMCKMUWPB-SFHVURJKSA-N 383.517 2.697 0 40 GFAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccco3)CC2)cc1 14183021 XWJNOTOUOFLHSI-UHFFFAOYSA-N 390.505 2.698 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 28416430 AGJIMVVTBDJADZ-HNNXBMFYSA-N 395.459 2.827 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 6650360 JRDRMWTZHWMDSV-UHFFFAOYSA-N 395.440 2.946 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccccc1 5681101 JFOXJCWBTGJMRY-ZUOKHONESA-N 383.473 2.709 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C)n1C1CC1 7533687 QOKCMUZEYHDQJQ-UHFFFAOYSA-N 388.493 2.833 0 40 GFAB Cc1nnc(COC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)o1 7508769 UQBYZDWIQSQSTI-UHFFFAOYSA-N 387.465 2.959 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 7871810 DLYRWOKHEKSXKI-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB c1cnn(-c2ccc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)cc2)c1 97046559 AYEZTZVRDHQTDH-UHFFFAOYSA-N 391.523 2.508 0 40 GFAB Cc1ccc(N2CCCC2=O)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 72284256 NVYVAUFFFMDEQF-UHFFFAOYSA-N 399.535 2.887 0 40 GFAB COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C)cc1F)c1noc(C)n1 78808823 CPWKXGVEZBWNPL-QGZVFWFLSA-N 391.424 2.902 0 40 GFAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(Cl)cc(Cl)n1 95465170 OVEWFOXFVNDRFM-UHFFFAOYSA-N 379.247 2.818 0 40 GFAB CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(COC)c(OC)c3)cc21 95966108 NAKZWJIOWQFWMP-UHFFFAOYSA-N 381.432 2.795 0 40 GFAB COc1ccc(OC(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)cc1 408975207 JEFVNQGIQXBQSV-UHFFFAOYSA-N 375.340 2.505 0 40 GFAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 408548062 CNNVJRIIHIKRCA-GZTJUZNOSA-N 380.400 2.640 0 40 GFAB COC(=O)COc1ccccc1/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O 409394063 VDAJPYQBSBFYGM-ZDLGFXPLSA-N 394.452 2.626 0 40 GFAB COC(=O)c1cc(Br)ccc1NC(=O)C1(NC=O)CCCCC1 35178166 CISOJANFAFMNNT-UHFFFAOYSA-N 383.242 2.623 0 40 GFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCCC2(CCCC2)C1 527370526 ABXUSDHMMHFCMI-UHFFFAOYSA-N 389.521 2.764 0 40 GFAB COc1ccccc1CC(=O)OCC(=O)NCc1ccccc1Br 72333733 HZULNRVYSNHPDO-UHFFFAOYSA-N 392.249 2.860 0 40 GFAB CC(C)CN(C(=O)c1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 39976078 CPRXONMELOBAPM-UHFFFAOYSA-N 398.488 2.531 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(CN)C(=O)O)cc1 218575180 JJYMCHHCEJXEPQ-LZLYRXPVSA-N 379.865 2.618 0 40 GFAB O=C(Cc1cccc2ccccc12)N1CCCc2cnc(N3CCOCC3)nc21 675008234 KUCRHJSRNIBULD-UHFFFAOYSA-N 388.471 2.988 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)c1 40155179 NREGPSORJSCPGH-UHFFFAOYSA-N 389.408 2.907 0 40 GFAB COCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224048914 BGENJTLBCMOMMD-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1 225063561 KWNDNJYHOUUTFB-UHFFFAOYSA-N 376.410 2.602 0 40 GFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)cc3)n2)c1 41153629 QPPHKZASKFRWNZ-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 225637687 DWDKYQFEZSZBSO-CONPEVPGSA-N 397.475 2.975 0 40 GFAB COc1ccccc1N1CCN(C(=O)COc2cccc3cccnc23)CC1 192751437 YSPJFAZSKLDNDG-UHFFFAOYSA-N 377.444 2.971 0 40 GFAB Cc1ccc(CCC(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)cc1F 225636106 YUZCWZRKYBXPCM-SFHVURJKSA-N 384.407 2.903 0 40 GFAB Cc1ccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)c(Cl)c1 96120924 APNAALXJVBCTKR-UHFFFAOYSA-N 375.860 2.905 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)COc1ccc2c(c1)NC(=O)CC2 96231765 LVNRWUCMSQCIEX-UHFFFAOYSA-N 393.443 2.730 0 40 GFAB Cn1cnc2c1[C@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1ccccc1)CC2 96088040 BGTHRLXYPBGCBU-LJQANCHMSA-N 378.407 2.938 0 40 GFAB Cc1cc(C)nc(NCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1 95479678 KXVDGPUHCHDMDU-RMKNXTFCSA-N 379.508 2.753 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CN2CCCCC2)CC1 257268045 MJZOLIIROKGTRO-IPJJNNNSSA-N 386.540 2.667 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 260897273 KMUYSYQQERRGMM-INIZCTEOSA-N 379.526 2.677 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3cccs3)n(C3CC3)c2=O)cc1 90591272 ZCCANERXCBZLIF-UHFFFAOYSA-N 398.444 2.534 0 40 GFAB COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@H]12 585109795 VALDLWYKLJVYII-SUNYJGFJSA-N 392.381 2.533 0 40 GFAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 57553074 USZMNIPJUXBKPE-SFHVURJKSA-N 378.432 2.943 0 40 GFAB CSc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 8169572 NSURUCJAJUZAGC-GRRFOWRYSA-N 392.502 2.740 0 40 GFAB CN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 12529805 WGAFTZYPBYVWBZ-HOCLYGCPSA-N 383.839 2.960 0 40 GFAB biogenic,in-vitro CC(C)C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCOCC1 12764510 XBPMVUKQRCAGCW-IBGZPJMESA-N 380.554 2.591 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 12946891 RYLOKTUDYHBWBK-SFHVURJKSA-N 399.491 2.752 0 40 GFAB Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cc2s1 14849789 QEDKLQSSSNLLOS-UHFFFAOYSA-N 375.431 2.736 0 40 GFAB COc1cccc(-n2c(SCCN3CCOCC3)nc3ccccc3c2=O)c1 15220642 CXSRBRPPPSQDAF-UHFFFAOYSA-N 397.500 2.819 0 40 GFAB O=C(Cn1cc(/C=C2\NC(=S)NC2=O)c2ccccc21)Nc1ccccc1 15745737 PYOXDDPOIFUKLQ-YBEGLDIGSA-N 376.441 2.625 0 40 GFAB COCc1c(C(=O)OCC(=O)NC[C@@H]2CCCO2)sc2cccc(F)c12 17937340 XSONHKCKJHHKBC-NSHDSACASA-N 381.425 2.639 0 40 GFAB CC(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19085500 KLHYINAYEFVPMI-HNNXBMFYSA-N 385.512 2.563 0 40 GFAB O=C(N1CCC(c2nnc3n2CCNCC3)CC1)C1(c2ccccc2)CCCC1 19709447 VDPRPFQOALUNIS-UHFFFAOYSA-N 393.535 2.642 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@H](C(=O)Nc3ccccc3)C1)n2C 19747646 ZKTNEBXLIUEQHE-FQEVSTJZSA-N 377.444 2.966 0 40 GFAB CN(CCc1ccccn1)C(=O)C1CN(C(=O)C(C)(C)c2ccc(F)cc2)C1 19748703 CKDHZMUSGKEFQA-UHFFFAOYSA-N 383.467 2.658 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](O)c1ccc(-c2ccco2)s1 1889002144 XWXPKXGJFATIHD-CYBMUJFWSA-N 384.413 2.766 0 40 GFAB O=C(CCc1nc(-c2ccccc2)no1)NCC(=O)Nc1ccc(F)c(F)c1 31411221 KEOSEUNJJDQNMC-UHFFFAOYSA-N 386.358 2.702 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 2037988503 OVTUVWHHKAAXRI-JOCHJYFZSA-N 395.459 2.519 0 40 GFAB Cc1ccccc1Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 9789614 UEDIBNJLZLUUGT-UHFFFAOYSA-N 386.411 2.965 0 40 GFAB O=C(COc1ccccc1F)NCCCn1nc(-c2ccccc2)ccc1=O 13800207 CVFKCDBNJZDOHG-UHFFFAOYSA-N 381.407 2.635 0 40 GFAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3cnc4ccccc4n3)CC2)n1 1775968066 MRZQKXVQCLKFNJ-UHFFFAOYSA-N 391.475 2.961 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cncc(-c2cnn(C)c2)c1 575414784 SVEPCRBZHYJHGR-UHFFFAOYSA-N 392.868 2.623 0 40 GFAB O=C([C@H]1CCCN(c2cc3c(nn2)CCC3)C1)N1CCN(c2ccccc2)CC1 618256028 BUGOGKUBWRURHP-IBGZPJMESA-N 391.519 2.531 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc2c(c1)CCO2 575611282 UMPVXYHXVYKWHH-OAHLLOKOSA-N 391.470 2.955 0 40 GFAB CCOCCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2351857 KPHPENJBJGEUKT-UHFFFAOYSA-N 393.447 2.964 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccccc1I 100201076 ALWHPSLTCNMERY-TXFQPVFDSA-N 379.197 2.993 0 40 GFAB CCOc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)ccc1O 31819782 DDKARWUNMUOIDR-LBPRGKRZSA-N 381.392 2.904 0 40 GFAB Cc1cccc(C)c1OC[C@H](O)CN1CCN(Cc2cn3ccccc3n2)CC1 46055013 MJDIWMVEEDQWRS-OAQYLSRUSA-N 394.519 2.509 0 40 GFAB COc1ccc([C@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 32768829 NNAMYQIDDRZBIH-HXUWFJFHSA-N 399.466 2.880 0 40 GFAB CC(C)CCNC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N 3535598 YBONLVFQPNBDTF-UHFFFAOYSA-N 385.440 2.515 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O)N1CCCC1 4933229 FZTRCZCGGGNMDS-SFQUDFHCSA-N 397.456 2.842 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)N2CCCc3ccccc32)c1 7769875 BPVMPCXRXXQHFC-INIZCTEOSA-N 380.444 2.636 0 40 GFAB COc1ccc(-c2csc(NC(=O)CCNC(=O)[C@H]3C[C@@H]3C)n2)cc1OC 32914307 CGEZHHQKOLZDLS-AAEUAGOBSA-N 389.477 2.928 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1 8220269 ZNDFODFVGCLWGT-NSHDSACASA-N 384.404 2.767 0 40 GFAB CC(C)c1nnc(SCCCN2C(=O)NC(C)(C)C2=O)n1Cc1ccco1 41575176 YIUCZKQSETYJBN-UHFFFAOYSA-N 391.497 2.855 0 40 GFAB O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCCN(Cc2ccccc2)CC1 53179232 VWZUWAWEIPQVAN-NRFANRHFSA-N 395.478 2.913 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3nc(NC(C)=O)sc3c2)C1 12390571 KFHQSKQBFUDRFJ-ZDUSSCGKSA-N 375.450 2.670 0 40 GFAB O=C(/C=C/c1cccc(Cl)c1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268540 ILRORPMNEQDQGA-QPJJXVBHSA-N 379.821 2.630 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccc(Br)c1 9898350 ZLFQFCZNJMUMTD-UHFFFAOYSA-N 397.294 2.629 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)cc1Cl 9974624 OZDWHKQRCFPYOY-ZDUSSCGKSA-N 388.917 2.522 0 40 GFAB COc1ccc(Cc2nnc(SCc3noc(-c4ccco4)n3)n2N)cc1 23024396 YUWJXVCRWFLZAV-UHFFFAOYSA-N 384.421 2.527 0 40 GFAB COc1ccc(CCNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)cc1OC 23127104 BDGQWJVIDKJBOO-UHFFFAOYSA-N 380.448 2.874 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC(c3nc(C)no3)CC2)C(C)C)cc1 54664237 OMKZROKKMYJXNP-GOSISDBHSA-N 384.480 2.847 0 40 GFAB CCN(CC)c1ccc(-c2nnc(SCCS(C)(=O)=O)n2CC)cc1 43277389 SNBSQUYCCBEQLI-UHFFFAOYSA-N 382.555 2.948 0 40 GFAB C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1nncn1C 106512215 DERZQKYOWJMTGX-CQSZACIVSA-N 390.919 2.741 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCCN1C(=O)c2ccccc2C1=O 26254456 AZGBEFOIPKJSBO-UHFFFAOYSA-N 392.415 2.774 0 40 GFAB CS[C@@H](C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 58014546 LNAQHMKRKUUWCC-ZDUSSCGKSA-N 396.509 2.672 0 40 GFAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C(N)=O)cc2)n1 2197467 NBSUUBFHMXQAOL-UHFFFAOYSA-N 380.404 2.806 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(F)cc1 2257633 FHJFUXNHBYZHST-NHYWBVRUSA-N 378.425 2.664 0 40 GFAB C[C@@H](CC(=O)N[C@H](c1ccccc1)c1nccn1C)NC(=O)c1ccccc1 12735674 NSKIWBGYTYKYON-OXJNMPFZSA-N 376.460 2.834 0 40 GFAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1 11545144 NHQMWXHELNPWIZ-UHFFFAOYSA-N 383.452 2.786 0 40 GFAB CCOc1cc2c(cc1NC(=O)Cn1c(=O)cnc3ccccc31)O[C@H](C)C2 12996884 RAQMZKIUZKPUAO-CYBMUJFWSA-N 379.416 2.757 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccn2)N1Cc1ccccc1 13720170 MHCMAUUHNZQCLM-CTNGQTDRSA-N 380.469 2.931 0 40 GFAB CC[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1nnc(C)s1 13945042 AVBCSYCIAXHDJF-NSHDSACASA-N 375.483 2.546 0 40 GFAB O=C(CN1CC[C@H](Nc2ccccc2)C1)Nc1ccc(N2CCOCC2)cc1 69950922 IGFGMHYGZWZLGC-FQEVSTJZSA-N 380.492 2.648 0 40 GFAB O=C(CCNC(=O)c1ccccc1)Nc1cccc(Cl)c1N1CCOCC1 14126175 FZMQFDBXVDYSOT-UHFFFAOYSA-N 387.867 2.935 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 4507656 HOAUQRPIWCGHJF-UHFFFAOYSA-N 384.432 2.717 0 40 GFAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCCCO 6658896 BEMWOPSUWIBNKP-NSHDSACASA-N 379.840 2.591 0 40 GFAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCn3ccnc3)c12 6658653 PIRWWLVXPSPDCC-UHFFFAOYSA-N 383.448 2.836 0 40 GFAB CCCCn1c(CN(C)Cc2ccco2)nc2cc(S(N)(=O)=O)ccc21 15482513 SZYNBGLSJFRPDM-UHFFFAOYSA-N 376.482 2.709 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C(F)(F)F)n1C 7293903 PBZWEQRGZGNDME-VIFPVBQESA-N 399.398 2.690 0 40 GFAB NS(=O)(=O)c1ccc(OCCOc2ccc(F)cc2Br)cc1 7694138 GQHJYLCCDRITHK-UHFFFAOYSA-N 390.230 2.693 0 40 GFAB Cc1cc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)n(-c2ccccc2)n1 8940301 XEGBEFDHJGTUDZ-UHFFFAOYSA-N 378.432 2.980 0 40 GFAB COc1ccc(OC)c(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)c1 7922295 OSKXDYCENMFMQM-NSHDSACASA-N 396.490 2.591 0 40 GFAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2ccnc2)cc1 7986186 CXFUNVLSNZEBDZ-HNNXBMFYSA-N 387.443 2.919 0 40 GFAB in-vitro COc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2N2CCOCC2)c1 16424752 XUWGGYTYELYVFW-QGZVFWFLSA-N 383.492 2.991 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 9899312 NOOLXDUBYCJQBK-UHFFFAOYSA-N 376.522 2.770 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)N1c3ccccc3CC[C@@H]1C)C[C@H]2O 96840004 XVRQKMYMAZALPJ-HNAYVOBHSA-N 396.487 2.921 0 40 GFAB O=C(O)CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 95463915 FFLJVXIAOYCLHP-UHFFFAOYSA-N 383.335 2.547 0 40 GFAB CN1CCN([C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)c2ccccc2)CC1 79486213 WKEBEAKMBGEUID-NRFANRHFSA-N 391.519 2.600 0 40 GFAB CCc1ccc(-n2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)nn2)cc1 67263249 GMTJAEXRNGYCSA-UHFFFAOYSA-N 391.475 2.801 0 40 GFAB CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1 98035992 MEJOHGFYZRRGKZ-HNNXBMFYSA-N 387.446 2.977 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2Cl)CC1 408628766 XFTVZMUXTDHORZ-UHFFFAOYSA-N 396.944 2.868 0 40 GFAB COc1ccccc1Oc1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cc1 542744484 KIFPTSCMWZVQCB-SFHVURJKSA-N 397.475 2.714 0 40 GFAB Cn1cc(C(=O)O)c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)n1 36615421 UTYVYXUXTDSUEQ-UHFFFAOYSA-N 394.218 2.922 0 40 GFAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccccc3C)CCC1)C2 552370686 WNXGHKRZFYGEMQ-UHFFFAOYSA-N 398.528 2.910 0 40 GFAB COc1cc(I)cc(/C=C2\SC(=O)N(C)C2=O)c1O 408818396 OAKSTAPOZOVRAW-WTKPLQERSA-N 391.186 2.672 0 40 GFAB Cc1cc(=O)c(OCC(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)co1 524733203 FGBHXIMIJRTVPB-QGZVFWFLSA-N 381.432 2.968 0 40 GFAB COc1ccc(OC)c(C(=O)Cn2cc(-c3nc(C4CC4)no3)ccc2=O)c1 77200444 CPNXYYBFLCNZAF-UHFFFAOYSA-N 381.388 2.676 0 40 GFAB COc1cccc(-c2cncc(C3CCN(C(=O)c4cnccn4)CC3)n2)c1 72359522 VWKSFZXBMCZSBG-UHFFFAOYSA-N 375.432 2.962 0 40 GFAB Cc1ccc2nc(C(=O)Nc3cccc(OCCN4CCOCC4)c3)cn2c1 72392122 IBVASLPMXFOGNB-UHFFFAOYSA-N 380.448 2.606 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C1CCCC1 30758677 FLROSPQTZFYXNG-UHFFFAOYSA-N 380.510 2.884 0 40 GFAB O=C(Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2)c1ccccc1 32615783 JMQAYZOSZFHFRZ-UHFFFAOYSA-N 377.425 2.503 0 40 GFAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)c(=O)c12 72347747 SFMQAVSEDRAJKU-AWEZNQCLSA-N 399.520 2.848 0 40 GFAB C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220482401 MRJOCGXYCKGXSU-CQSZACIVSA-N 396.459 2.868 0 40 GFAB COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NCCCOC(C)C)cc1 222986985 OQEICWANGPASHZ-QGZVFWFLSA-N 378.513 3.000 0 40 GFAB Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCc4ccccc4)CC3)n2)n1 49411607 OJEOSUVTFVZBJA-UHFFFAOYSA-N 390.491 2.812 0 40 GFAB CCOc1ccccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225946380 ZDWZUTGZVHWTLF-MRXNPFEDSA-N 380.441 2.844 0 40 GFAB Cn1cc(CN2CCC3(CC2)CN(C[C@H]2CCOC2)Cc2ccccc23)cn1 96242586 GAYDPIXQLSFCSK-LJQANCHMSA-N 380.536 2.806 0 40 GFAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075560 FLIIGXYNECDLFU-HTAPYJJXSA-N 383.492 2.511 0 40 GFAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)CN3CCOCC3)o2)c1 257303271 SGLPODKUSJBZTJ-FQEVSTJZSA-N 399.491 2.660 0 40 GFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)c2cc[nH]n2)c1 257286161 PKNPHDUHPNRNQO-WFXMLNOXSA-N 382.464 2.823 0 40 GFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-n1cnnc1 260786441 XCFVANWDXMEBMA-FSPWUOQZSA-N 379.493 2.992 0 40 GFAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1C[C@H](c3ccccc3)CO1)CC2 664182623 CZYYTWMJBRCAIM-BZSNNMDCSA-N 383.496 2.588 0 40 GFAB CC(C)c1noc([C@@H](NC(=O)[C@@]2(C(=O)O)CC=CCC2)C2CCOCC2)n1 653289042 HZVKDVXIZPVJQR-IFXJQAMLSA-N 377.441 2.588 0 40 GFAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1 5319691 RFSHHGJWLOLIMU-UHFFFAOYSA-N 382.445 2.544 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1 5425489 LOJYHBIVPACEFR-MRXNPFEDSA-N 376.503 2.904 0 40 GFAB Cc1cc2oc(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)cc(=O)c2cc1C 12197291 ZBUIESXISMKSMO-UHFFFAOYSA-N 389.415 2.562 0 40 GFAB O=C(NC[C@@H]1CCCO1)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293662 HIVWISQKOVTKSM-ZWKOTPCHSA-N 390.455 2.801 0 40 GFAB COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1nc2ccccc2n(C)c1=O 19718483 GVFMLEWOKIWGRO-AWEZNQCLSA-N 383.423 2.750 0 40 GFAB CN(CCCc1ccccc1)C(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19749393 PTPLYKNUVMRDBG-UHFFFAOYSA-N 395.503 2.566 0 40 GFAB CCN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(OC)c(C)c1 19929665 ZFXZYCNUEIPBCB-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB CCc1ncnc(CC)c1C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 508565685 CQBDCFYVJPGZCJ-UHFFFAOYSA-N 382.464 2.635 0 40 GFAB CC[C@@H](C)N1CCc2nc3sc(C(=O)N(CC)CC)c(C)c3c(=O)n2CC1 12241839 OBRFTFDBFMATJN-CYBMUJFWSA-N 390.553 2.905 0 40 GFAB COCCCNC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 12226853 ALMZAXRVBNSQIH-UHFFFAOYSA-N 376.428 2.973 0 40 GFAB CN(Cc1ccc(Br)s1)C(=O)CNC(=O)Cc1ccccc1 18108304 UBIPEZKKDAVOLE-UHFFFAOYSA-N 381.295 2.828 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@H](CCSC)C1=O)c1cccc2ccccc12 3360632 NDYBVXGDKCSSRZ-INIZCTEOSA-N 385.489 2.866 0 40 GFAB CN(C)c1cc(NC2CCN(C(=O)Nc3c(F)cccc3F)CC2)ncn1 1888873368 RGAAYLLZFNCWDV-UHFFFAOYSA-N 376.411 2.929 0 40 GFAB CN([C@H]1CCN(c2ncnc3ccsc23)C1)S(=O)(=O)Cc1ccccc1 1888913262 OJAOZMFEDHVBAB-HNNXBMFYSA-N 388.518 2.732 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccnc1OCC(F)(F)F 24859531 IFVILRWBFOVKBV-GFCCVEGCSA-N 382.338 2.935 0 40 GFAB COC1CCN(c2ccc(C(=O)NCCCNC(=O)OC(C)(C)C)cc2)CC1 244914744 BBPBYFAVYYGIFQ-UHFFFAOYSA-N 391.512 2.946 0 40 GFAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCc3ccccc3)cc21 5252411 ZEPRZOMUDGYOFX-UHFFFAOYSA-N 379.460 2.673 0 40 GFAB CCCN1CCCc2cc(CCNC(=O)C(=O)NCc3cccs3)ccc21 11613003 QUAOQSSPMRKKLO-UHFFFAOYSA-N 385.533 2.886 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)cc1C 12068923 LORCLGWYEZNUGY-UHFFFAOYSA-N 387.549 2.794 0 40 GFAB Cc1cc(C)c(NC(=O)C(=O)NCCN2CCO[C@@H](c3ccccc3)C2)c(C)c1 16993964 OEBZVKMXHIZWDG-HXUWFJFHSA-N 395.503 2.740 0 40 GFAB O=C(NCc1ccccc1F)c1cn(-c2cc(N3CCCCC3)ncn2)cn1 49411252 IGMRLLNNFSGJSW-UHFFFAOYSA-N 380.427 2.722 0 40 GFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc(C)c3)ccc12 2712371 WTXRPBORKFTYHV-UHFFFAOYSA-N 380.400 2.500 0 40 GFAB COC(=O)Nc1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1 12440419 AOHLEJLZILZVDZ-UHFFFAOYSA-N 388.493 2.645 0 40 GFAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1NS(C)(=O)=O 40086464 GVKRKCOXDHMTKI-QGZVFWFLSA-N 391.493 2.526 0 40 GFAB CC(C)c1nnc(NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)s1 40104040 LUIMPAVQFOFYCX-GJZGRUSLSA-N 377.514 2.694 0 40 GFAB C[C@]12CSCC(=O)N1[C@@H](C(=O)NCCSCc1cccs1)CS2 40150358 YOXUWRNZAQRACV-DOMZBBRYSA-N 388.605 2.505 0 40 GFAB C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc2c(c1)CCC(=O)N2 40145453 USBJOWIGFXMBTQ-LLVKDONJSA-N 381.461 2.919 0 40 GFAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(-n3cccn3)c(F)c2)C1=O 40150946 DIFZCGUCWIYATN-ZDUSSCGKSA-N 380.379 2.764 0 40 GFAB COc1ccc(N2C(=O)C[C@]3(CC(c4cc(OC)ccc4OC)=NO3)C2=O)cc1 40287589 PRNLSKGPGWXAQC-OAQYLSRUSA-N 396.399 2.539 0 40 GFAB COc1cc(-c2nc(C)c(C(=O)N3CCN(C)CC3)s2)cc(OC)c1OC 20677410 WWAJCFRSJYCPHO-UHFFFAOYSA-N 391.493 2.532 0 40 GFAB O=C(COc1cccc(N2CCCC2=O)c1)N1CCN(Cc2ccccc2)CC1 21005460 TUPGTYZSMFPYOU-UHFFFAOYSA-N 393.487 2.537 0 40 GFAB COc1ccc(C(O)(C(=O)OCCN2CCCCC2)c2ccc(OC)cc2)cc1 1768932 CLWPOVIJZXFQHS-UHFFFAOYSA-N 399.487 2.969 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O 3978409 PVAMXWLZJKTXFW-MRKIQIIMSA-N 390.520 2.575 0 40 GFAB biogenic,in-vitro CC(=O)OC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]12 4194808 AVMIIKLVEDAPFQ-RZFLPCETSA-N 382.453 2.795 0 40 GFAB CCN1C[C@H](C(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1=O 32816323 OJHJEBQHLVRPKN-WIYYLYMNSA-N 396.487 2.972 0 40 GFAB O=C(NCc1ccccc1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4858805 ZLPZSMCVNFMHOH-GOSISDBHSA-N 393.472 2.595 0 40 GFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 4901905 GNMWHBAJTKJJEB-ANULTFPQSA-N 377.440 2.979 0 40 GFAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)NC12CC3CC(CC(C3)C1)C2 4945714 MGGSXEYVOVMUET-UHFFFAOYSA-N 391.518 2.867 0 40 GFAB NC(=O)C1CCN(C(=O)CSc2nccc(-c3ccc(Cl)cc3)n2)CC1 4967883 QJXHGNUUCQKZQU-UHFFFAOYSA-N 390.896 2.613 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1 4995455 SFINBOYKRXRNIM-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 6436695 NOKOLZGNTCDAKF-UHFFFAOYSA-N 399.424 2.798 0 40 GFAB Cc1cc(S(=O)(=O)n2ccnc2O)c(SCCCN(C)C)cc1Cl 6484383 DAWVZTHLVDFHDA-UHFFFAOYSA-N 389.930 2.831 0 40 GFAB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc2c(c1)OCO2 7735133 OAAJDUQGVAWOCL-FQEVSTJZSA-N 397.408 2.770 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(Br)s1 32923787 ANTFDINJJBXPAG-QMMMGPOBSA-N 382.301 2.860 0 40 GFAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ccccc2)CC1 33029224 MZHYEATVLSACLE-QHCPKHFHSA-N 390.487 2.550 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1NS(C)(=O)=O 55694360 WOZHQMOVVHDRGK-HNNXBMFYSA-N 376.478 2.872 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)[nH]2)c1 51317198 XOSRHANUIZJDFD-UHFFFAOYSA-N 377.447 2.733 0 40 GFAB O=C1COc2cc(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)c(Cl)cc2N1 41837931 YABLFDILYAYIMH-MRXNPFEDSA-N 389.770 2.942 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(OCC(F)(F)F)cc1 22472534 WFKQMFHGUWPMOQ-UHFFFAOYSA-N 392.333 2.540 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3cccs3)CC2)n1 22804558 ALEHJLNPWVSKGE-UHFFFAOYSA-N 395.536 2.885 0 40 GFAB COC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 958404 SKKZVIHOYUFTIO-UHFFFAOYSA-N 385.445 2.809 0 40 GFAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 54661743 UZXNECFYZPCSQC-CQSZACIVSA-N 377.466 2.582 0 40 GFAB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccco1 24442963 RJZZWHUQWSCNPH-UHFFFAOYSA-N 396.774 2.660 0 40 GFAB C[C@@H]1CN(Cc2ccccc2F)CCN1CC(=O)Nc1cccc2nsnc12 57731765 KLGIABQODKDVPQ-CQSZACIVSA-N 399.495 2.975 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1F 12526138 ACBVAZHGQLDONB-MRXNPFEDSA-N 392.452 2.844 0 40 GFAB Cc1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c2cccnc12 78624277 QATAMXMFTGOILE-IRXDYDNUSA-N 390.505 2.892 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCCCN1CCN(c3ccccn3)CC1)C2=O 100098400 NCMIPRCQUMYAEC-WZONZLPQSA-N 398.551 2.795 0 40 GFAB Cc1cccc(N2CCN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC2)c1C 12633623 UERVAURCMXRQAG-UHFFFAOYSA-N 398.482 2.591 0 40 GFAB CC(C)N(C)CCCNC(=O)c1ccc(F)cc1I 48106508 YPXSDWYKRXLBTH-UHFFFAOYSA-N 378.229 2.890 0 40 GFAB CCOc1ccc(CN2CCN(C(=O)c3ccc(C(=O)OC)cc3)CC2)cc1 28732803 IWQPUKZCSLKTPX-UHFFFAOYSA-N 382.460 2.830 0 40 GFAB CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 48299833 ZEADKUKFDBYYMR-MAUKXSAKSA-N 386.496 2.750 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Cn2cncn2)cc1 45781103 BEGIIFORGCHZOK-LJQANCHMSA-N 379.464 2.876 0 40 GFAB COc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2C(N)=O)cc1F 12859003 CGJKDMUCZBOKNE-UHFFFAOYSA-N 380.803 2.624 0 40 GFAB C[C@H](NC(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1 12975422 ZLWJASXZSCYNKI-JTQLQIEISA-N 383.267 2.588 0 40 GFAB O=C(c1csc(COc2ccc(F)cc2)n1)N1CCN(c2ncccn2)CC1 13012347 NQLSXDFOZQSUJN-UHFFFAOYSA-N 399.451 2.614 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(OCC)cc2)cc1 8519392 UORUOTYNOSXHRD-UHFFFAOYSA-N 393.461 2.619 0 40 GFAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OCC)c1 13550739 MSUZSTIJUMZKIU-QZTJIDSGSA-N 395.415 2.861 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 18181378 QKDOBRDDTBQGDK-LJQANCHMSA-N 394.519 2.648 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCN(C)CC(F)(F)F 69980253 HCRNLCFHKRBNIG-HNNXBMFYSA-N 388.434 2.833 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(F)cc1F)O2 64988623 GWKRLBKPXXMKPJ-KRWDZBQOSA-N 396.415 2.829 0 40 GFAB c1ccc(CN2CN(CCCN3CCOCC3)c3nc4ccccc4n3C2)cc1 5208827 IXGHKYQKGOYSHY-UHFFFAOYSA-N 391.519 2.996 0 40 GFAB O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CCS(=O)(=O)C1 6346189 JMNVFZLTHMAPJQ-HNNXBMFYSA-N 379.865 2.689 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](c3cccs3)N(C)C)ccc12 24061144 WPJIBKZZBUKQLN-MRXNPFEDSA-N 386.473 2.961 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1C 6582028 CAIDCKOCJGUCIT-GOSISDBHSA-N 394.500 2.984 0 40 GFAB O=S(=O)(NCCc1cccc2cccnc12)c1ccc2c(c1)OCCCO2 14849108 HYVGEYPXPVITJS-UHFFFAOYSA-N 384.457 2.917 0 40 GFAB Cc1ccc(OCC(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)cc1C 4860593 NRAZNWCBIVAEKT-SFHVURJKSA-N 393.365 2.965 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 67285930 GIHGPEYHVAIJLY-GOSISDBHSA-N 393.434 2.868 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1C 15414959 UJRAOWAECLDWHM-IAGOWNOFSA-N 397.562 2.590 0 40 GFAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 15562134 CZAJCMLAPDNODC-ZDUSSCGKSA-N 396.896 2.894 0 40 GFAB C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 69207914 PJJKHFJPTSLZAU-CVEARBPZSA-N 380.483 2.822 0 40 GFAB CC(C)c1ccccc1NC(=O)CSc1nnc(CN2CCOCC2)n1C 19799197 FVOKUUZJWVFSHI-UHFFFAOYSA-N 389.525 2.502 0 40 GFAB O=C1CCCN1C[C@H]1CCCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 78806022 QYLDFVDLTXDXJV-OAHLLOKOSA-N 392.883 2.657 0 40 GFAB Cc1ccc(C(=O)CCC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)s1 95455887 GVICDRVFHITXOM-HNNXBMFYSA-N 377.554 2.646 0 40 GFAB COc1cccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2S(C)(=O)=O)c1 95945305 BKKYJIYZPAYVBY-GOSISDBHSA-N 390.461 2.823 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 20025193 ZGONKFPWVXTNKN-LBPRGKRZSA-N 378.450 2.702 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1C 89502456 KBOHFTCSYDCUOT-CYBMUJFWSA-N 385.428 2.519 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 408675042 GCOQWVQBXKIDMN-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 524735366 XRGCJIJHUVDILW-VGSWGCGISA-N 382.460 2.721 0 40 GFAB CC(=O)N1CCC(N2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)CC1 72330657 NQKDPCKEGLOCIC-RBBKRZOGSA-N 383.536 2.553 0 40 GFAB C=CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1 1544620922 SBJQUHHJGORGKW-UHFFFAOYSA-N 395.434 2.857 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2ccccc2)Oc2ccc(Cl)cc21 38832809 USCRYLOJAYOBLV-QGZVFWFLSA-N 394.880 2.574 0 40 GFAB COC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)cc(C)c12 71282972 QXZIXDKVOFZFMG-UHFFFAOYSA-N 390.490 2.650 0 40 GFAB COC(=O)c1ccsc1NC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655769 JPKDTYZDYCUHMY-UHFFFAOYSA-N 380.372 2.524 0 40 GFAB COc1ccc2c(c1OC)[C@@H]1N(C)CCc3cc4c(cc3[C@]1(OC)C2=O)OCO4 31961068 DNRNULWBLUZTMH-RBBKRZOGSA-N 397.427 2.700 0 40 GFAB NC(=O)c1ccc(CN(C(=O)c2ccc(N3CCOC3=O)cc2)C2CC2)cc1 40093927 FBYRCFJEWVGGOS-UHFFFAOYSA-N 379.416 2.547 0 40 GFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H](c1cccnc1)C1CCOCC1 225622791 YMXXQQXFJKMOCK-VLIAUNLRSA-N 384.432 2.862 0 40 GFAB Cn1cnc(-c2ccc(C(=O)N3CCNC[C@@H]3c3ccccc3Cl)cc2)n1 574150574 HXSVWNODRBKTCB-GOSISDBHSA-N 381.867 2.922 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 223586767 QANSJXPKBCMETQ-MOPGFXCFSA-N 382.464 2.976 0 40 GFAB O=C(NCCCN1CCCCCC1)c1cccc(N2CCCCS2(=O)=O)c1 224388508 SKBGLVGIHOWHSZ-UHFFFAOYSA-N 393.553 2.613 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c(C)c1 223862895 JLHJFNBWFMXGBH-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225677861 CNCDJBOFKQCZSE-JTQLQIEISA-N 380.495 2.663 0 40 GFAB Cc1occc1C(=O)N1CCC2(CC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 96051648 PLGCQUGZYSRMRE-SFHVURJKSA-N 388.489 2.951 0 40 GFAB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1 95346145 SIWIBKCIBLOQKD-AWEZNQCLSA-N 393.790 2.664 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)NC[C@H](c1ccco1)N1CCSCC1 253407729 WRURICBDALZSJV-LEHPZIBWSA-N 378.519 2.960 0 40 GFAB Cc1nc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)c(C)s1 257250308 JLZUUPWGJGMBLC-ZMZPIMSZSA-N 390.465 2.570 0 40 GFAB CC(C)C[C@]1(O)CCN(C(=O)c2cccnc2O)C[C@@H]1Oc1cccc(F)c1 257205042 AXJUPQZAZIQDQI-GHTZIAJQSA-N 388.439 2.997 0 40 GFAB O=C(NCCn1ccc(-c2cnccn2)n1)c1csc(-c2ccccc2)n1 253471877 GITNUGWDMNSGJJ-UHFFFAOYSA-N 376.445 2.894 0 40 GFAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccc(F)cc2)CO3)cn1 257272478 NCOGWWZATLCTJU-GOSISDBHSA-N 384.455 2.824 0 40 GFAB C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)N1CCc2sccc2C1 623634794 MCCNYDZGQJKHFL-FXAWDEMLSA-N 398.576 2.918 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 90612619 TXOQMHLWJUZFPR-AWEZNQCLSA-N 383.853 2.779 0 40 GFAB C[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)n1ccc(C(F)(F)F)n1 631306946 LEEFQTQEAIVMTK-ZDUSSCGKSA-N 381.402 2.639 0 40 GFAB CCc1onc(C)c1-c1nc(N2CCN(C(C)=O)CC2)ncc1-c1ccncc1 72342880 ICKGCTFSJNFWMW-UHFFFAOYSA-N 392.463 2.733 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 19173912 NJQFCNLIHZEKLO-UHFFFAOYSA-N 387.288 2.890 0 40 GFAB CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C](Cc1c[nH]c2ccccc12)C(=O)O 1560406235 OMYZDNYEXYYVEH-UHFFFAOYSA-N 388.444 2.746 0 40 GFAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1 5797138 KCBIRTIOBQJXBB-JTQLQIEISA-N 387.387 2.664 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCC3CCCC3)CC2)cc1 11191778 QHLKWZSSWLXRSQ-UHFFFAOYSA-N 394.537 2.935 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 12472136 HCGXLWVSOFVHNR-RHSMWYFYSA-N 382.512 2.524 0 40 GFAB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(OC)c(OC)c(OC)c2)n1 12814140 SQKZTDDUPZQUKK-UHFFFAOYSA-N 378.450 2.723 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19079269 NUQUBVNOSDOERA-AUUYWEPGSA-N 384.455 2.783 0 40 GFAB Cc1ccc2cccc(NC(=O)CC[C@]3(c4ccccc4)NC(=O)NC3=O)c2n1 19654885 SWTBSEZPCLKGPZ-JOCHJYFZSA-N 388.427 2.997 0 40 GFAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CCCO2)cc1 5856531 RXCHLDNNORDEQW-GOSISDBHSA-N 398.415 2.608 0 40 GFAB C[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1ccccc1OC(F)F 16710749 XYWGGYLRBBBCTQ-SNVBAGLBSA-N 398.387 2.650 0 40 GFAB Cc1cc(C(=O)N2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)nn1C 1888899302 NLRXEZRMSCQOLN-MRXNPFEDSA-N 377.448 2.727 0 40 GFAB Cn1cc(-c2noc(C3CCC3)n2)c(=O)c2cc(F)c(N3CCOCC3)cc21 1775967498 UEXYJOAJENWAAQ-UHFFFAOYSA-N 384.411 2.832 0 40 GFAB Cc1ccc(CNC(=O)CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298122921 KRROBGLBUHITOK-SFHVURJKSA-N 393.478 2.581 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1 40039413 PISURYXRNYGSLZ-NRFANRHFSA-N 376.460 2.799 0 40 GFAB Cn1ncc2c(=O)n(CCC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)cnc21 40117520 FCPOKIMBCWFUHK-LJQANCHMSA-N 397.454 2.707 0 40 GFAB C[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1NS(C)(=O)=O 40151617 VYLXPYCRAYMLHD-ZDUSSCGKSA-N 379.457 2.800 0 40 GFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1 32081137 KOLYPJLQFVECJK-LLVKDONJSA-N 394.836 2.578 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc(Br)c1 101343294 HGQAJIWVKGHGOD-ZFWWWQNUSA-N 389.180 2.881 0 40 GFAB CN1N=C(C(=O)N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)CCC1=O 32368207 IIRHYROEQOAQNA-UHFFFAOYSA-N 396.516 2.668 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CC(=O)N(c2ccccc2F)C1 36873837 CBXBWFWSGQQPFO-AWEZNQCLSA-N 381.407 2.944 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1 1372781 PEJQXUHVSDRRAM-UHFFFAOYSA-N 376.420 2.636 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)cc1OC 21557845 NSYWJBCJGYLEMH-CSKARUKUSA-N 396.487 2.866 0 40 GFAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)CCOc1ccc(Cl)cc1 21580494 WAYOVBFBCCTVRJ-QGZVFWFLSA-N 375.856 2.848 0 40 GFAB CCC(CC)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 3320101 WNYSDXFJVWAFNU-UHFFFAOYSA-N 375.252 2.571 0 40 GFAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc2n1 3449685 RNFCAYBCQQDVCO-LBPRGKRZSA-N 385.449 2.632 0 40 GFAB CCCCn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2c1=O 2617991 FDNKUYYVXKVWKW-UHFFFAOYSA-N 379.416 2.855 0 40 GFAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccs3)c(=O)n1C2 4237150 PAZFIMAKGFMTMU-UONOGXRCSA-N 378.457 2.626 0 40 GFAB biogenic,in-vitro CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@H]2C)C1=O 21706216 WHISVUQPWXWRJH-LAPQFRIASA-N 375.444 2.772 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885506 GSMHWGACMCKVET-KGYLXKDPSA-N 392.455 2.767 0 40 GFAB O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2c(c1)CCC2 6919719 KZKUFDGPKFLSNW-UHFFFAOYSA-N 387.429 2.972 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 10441029 HLVNNFZVPWLPIC-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccc(Cl)cc1 8410793 GFHHKJCGUDSWPG-UHFFFAOYSA-N 386.791 2.789 0 40 GFAB COc1ccc(-c2noc(CCC(=O)N[C@@H]3COc4ccccc4C3)n2)cc1 53045156 BANGYNHZCARNPZ-INIZCTEOSA-N 379.416 2.798 0 40 GFAB CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 33325661 UWMXKBDJCHNMDB-MRXNPFEDSA-N 375.494 2.666 0 40 GFAB CC(C)Oc1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 12005833 OVRUZGYKCCXSBM-UHFFFAOYSA-N 388.445 2.793 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)Cc1ccc(Br)cc1 53417336 PRSJYBMLQXPWRK-NEPJUHHUSA-N 379.254 2.908 0 40 GFAB CC(C)C(=O)N(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 22472336 BIHIGZDJHJMRGO-UHFFFAOYSA-N 398.507 2.860 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@H]1CCCC[C@@H]1C 108320327 HNXODKMWKDVLFE-ZQIUZPCESA-N 397.475 2.583 0 40 GFAB COc1ccccc1CCNC(=O)C[C@H](NC(N)=O)c1ccccc1Cl 23078429 TUQNJVRSCAKTJV-INIZCTEOSA-N 375.856 2.807 0 40 GFAB COC(=O)C1(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CCCCC1 23176955 AFMWOOSKIXDYNG-UHFFFAOYSA-N 396.369 2.892 0 40 GFAB COc1ccc(OCCN(C)C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1 23648689 APNZFRLOPQGFIV-INIZCTEOSA-N 398.459 2.737 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)Nc3cnc4c(c3)c(C)nn4C)c(C)n2n1 24033056 ALMCBRHBEYARBM-UHFFFAOYSA-N 377.452 2.816 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)NCc1cccc(CN2CCOCC2)c1 116772979 AXBREIKWWAHZHU-UHFFFAOYSA-N 394.924 2.792 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccc(Cl)cc21 106360515 FIHZKTAGBXEHIW-NOSGZIGASA-N 398.912 2.562 0 40 GFAB CC(=O)N1[C@@H](c2ccc3c(c2)OCO3)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 3024615 TWFHACFXONLAGI-UZLBHIALSA-N 378.384 2.844 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)[C@H]2C1 107798528 HGSIBYOOHYUPLA-MJGOQNOKSA-N 376.909 2.986 0 40 GFAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@H]2CCCO2)CC1 22788442 OJMOSZFVTMGEMY-RHSMWYFYSA-N 385.430 2.829 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCc2cc(F)c(F)cc21 57117457 FGLVYYFJQWNLNQ-UHFFFAOYSA-N 397.399 2.742 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCc2ccccc2C1 3249121 OBOPSVLJRKXGMV-NRFANRHFSA-N 394.471 2.569 0 40 GFAB CCOC(=O)C1=C(CN2CCn3cccc3[C@@H]2C)NC(=O)N[C@H]1c1ccccc1 36021275 INVYJCIZTYQUDL-YWZLYKJASA-N 394.475 2.736 0 40 GFAB CCOc1ccc([C@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232554 RNSPEBKNCHBDFS-SFHVURJKSA-N 387.403 2.929 0 40 GFAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCNC(=O)[C@@H]1C[C@H]1C 58209550 PAWZAFOTUXZRAP-IAQYHMDHSA-N 376.407 2.619 0 40 GFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)N[C@H]1CCCc2ccccc21 36384780 JADOLUODDUDZJO-SFHVURJKSA-N 383.517 2.700 0 40 GFAB CCC(CC)NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 10788409 JIRHZHYHQPQACR-QGZVFWFLSA-N 388.464 2.545 0 40 GFAB C[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc2ccccc2c1 10814492 WHBGCHDNHYWXMF-CYBMUJFWSA-N 379.445 2.521 0 40 GFAB COCCNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2303754 FMTNAFUHVBWCLC-UHFFFAOYSA-N 379.395 2.671 0 40 GFAB COCCCn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 2332840 PYLXVDFGPMVFMO-ZDUSSCGKSA-N 384.436 2.539 0 40 GFAB CSc1nnnn1-c1cccc(NC(=O)N(Cc2ccccn2)C2CC2)c1 48299759 FTSYBJVTKGLSNS-UHFFFAOYSA-N 381.465 2.976 0 40 GFAB C[C@@H](Nc1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 28358909 FJRGMMCXRJXDGO-MRXNPFEDSA-N 396.491 2.980 0 40 GFAB O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1CN1C(=O)CNC1=O 12821517 JGYKKFPXACKMGU-UHFFFAOYSA-N 384.461 2.716 0 40 GFAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(C)s4)CC3=O)c2c1 12866550 KPKUTOULWSCNKH-AWEZNQCLSA-N 383.477 2.666 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2cc(Cl)ccc2c1=O 17735894 YRUDDCZHGOSEEV-UHFFFAOYSA-N 396.834 2.814 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(OC)c(NC(C)=O)c3)CC2=O)c1 13021992 FIQNNECYBRXZOE-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB COCCn1c(C)cc(C(=O)COC(=O)c2cc3ccccc3oc2=O)c1C 6083272 OKEIHDNHKVVGID-UHFFFAOYSA-N 383.400 2.897 0 40 GFAB COc1ccc(/C=C/C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 5071820 LWCLZZZQQQKYLJ-FSNWXROXSA-N 391.514 2.986 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC[C@@H](C)c2ccccc2)c1C 4340288 YXFRNRJRXUMCPH-CYBMUJFWSA-N 386.448 2.885 0 40 GFAB COc1ccc(-c2nc(C(=O)N[C@H](C(N)=O)c3ccccc3)cs2)cc1OC 8762396 BJJHKWZWAUDQCS-KRWDZBQOSA-N 397.456 2.784 0 40 GFAB C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 14170239 ARAKLJZMCOZYLZ-AWEZNQCLSA-N 380.444 2.901 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3)=NC2=N1 4574833 DJGLLUCNVPLNGX-QGZVFWFLSA-N 377.473 2.966 0 40 GFAB Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2C)c1 4734466 PMTHYOWGEIMWKZ-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)NC1CCCCC1 4704347 XTWVEXMUEJYYOW-VQIMIIECSA-N 388.508 2.752 0 40 GFAB Cc1cc(NC(=O)COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)no1 4880526 ITSALMDTKWMWCV-UHFFFAOYSA-N 399.403 2.891 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2C(C)C)c1 111121323 ZIYVTOXMQBCFOW-UHFFFAOYSA-N 376.478 2.527 0 40 GFAB COc1ccccc1-n1ccn(CC(=O)Nc2cc(Cl)ccc2C)c(=O)c1=O 67256323 PQIPNLVTVLKIJT-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 7074865 QPQXBQIUAXRJFS-IAGOWNOFSA-N 395.425 2.960 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 15360737 CYSVQZRPPDASBY-UHFFFAOYSA-N 386.517 2.745 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 67482288 PMFPIZKGFQRNRD-QRWLVFNGSA-N 391.471 2.592 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nccs1 7655116 CLUXCBIXRJBEKS-UHFFFAOYSA-N 379.507 2.889 0 40 GFAB Cc1cc(=O)c(C(=O)NCc2ccccn2)nn1-c1ccccc1C(F)(F)F 7847763 URQQGWQUIBGIIS-UHFFFAOYSA-N 388.349 2.885 0 40 GFAB CCN(C(C)=O)c1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cs1 69252214 KFNWZZPBLMOMRZ-CYBMUJFWSA-N 382.530 2.957 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1 408558605 SDTFOVAFDDBOOG-MRXNPFEDSA-N 382.526 2.648 0 40 GFAB CCOc1ccccc1OCCCC(=O)N(CCN(C)C)C[C@H]1CCCO1 72278359 QIKKSGAQUIMWOP-GOSISDBHSA-N 378.513 2.814 0 40 GFAB C[C@H]1CN(CCCCNc2nc(N(C)C)cc(C(F)(F)F)n2)C[C@H](C)O1 79063592 GCEORVPPHVCODK-STQMWFEESA-N 375.439 2.863 0 40 GFAB O=C(CNc1ccc(C(=O)N2CCc3ccccc32)cn1)NCc1ccco1 95958756 UAOGGCJYGGURLI-UHFFFAOYSA-N 376.416 2.606 0 40 GFAB CC(C)(CO)[C@@H](CNC(=O)CNC(=O)OCc1ccccc1)c1ccccc1 89761815 JAGSWUUPTZHELV-IBGZPJMESA-N 384.476 2.831 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)c(C)c1 28207616 CIJZUWRLIPLIJQ-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 306131764 KPFQONJUJNTBOV-QHCPKHFHSA-N 386.455 2.801 0 40 GFAB Cc1ccccc1OCC(=O)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F 408738033 IFKSADSNSBBJOY-KRWDZBQOSA-N 379.338 2.656 0 40 GFAB CCC[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408612524 SBEUWEZZWTZWFO-GFCCVEGCSA-N 391.331 2.516 0 40 GFAB O=S(=O)(c1c[nH]c2ncccc12)N1CCC[C@H]1COc1ccc(F)cc1 510784238 TUAUUMWWLZXRDA-AWEZNQCLSA-N 375.425 2.934 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 408660727 VDLZMDBTGKOYOL-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CCCN(c3ncccn3)C1)CC2 524733588 WZPWXYFMRMUGSC-WBVHZDCISA-N 382.464 2.514 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(-c4cc(C)oc4C)o3)CC2=O)c1 56905343 OKQCSZOKEREFSD-ZDUSSCGKSA-N 396.403 2.947 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 30755000 XLLAZXGVCVDCJE-LBPRGKRZSA-N 398.431 2.617 0 40 GFAB CCCOC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340276 IXMLMCBAXDISNI-LLGFUMIMSA-N 391.439 2.634 0 40 GFAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3OC)n2)c1 219505489 BVLYYLCDGQVTHO-CYBMUJFWSA-N 383.404 2.838 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccc(I)c2)C1 48482613 KBXWDANGSICLBI-CHWSQXEVSA-N 386.277 2.999 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc4C3)c(Cl)cc21 223348035 IXCJENZDKYEQIF-UHFFFAOYSA-N 378.837 2.532 0 40 GFAB CCc1nn2c(nnc3c(=O)n(NC(=O)C(C)C)ccc32)c1-c1ccc(F)cc1 40391806 LBVWVWZKVPIJTD-UHFFFAOYSA-N 394.410 2.534 0 40 GFAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc2n(n1)CCCO2 225757130 WIXJDOIBNLWPFR-UHFFFAOYSA-N 398.492 2.516 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1ccccc1 224626082 VGCPKLVWHBXFNI-UHFFFAOYSA-N 394.468 2.567 0 40 GFAB CC(C)c1ccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)cc1 44241753 BPHQLNKHXBJACE-UHFFFAOYSA-N 384.553 2.709 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NCc2ccco2)s1)c1ccc(Cl)cc1 223318107 CAVXNEMZLUOKKI-UHFFFAOYSA-N 398.853 2.515 0 40 GFAB COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc3[nH]cnc3c2)CC1=O 96223039 RIANIQADDJTOCL-OAHLLOKOSA-N 378.432 2.601 0 40 GFAB O=C(c1cocn1)N1CCC2(CC1)OCC[C@H]2CCOc1ncccc1F 247875233 SQJKUOSXISCIMD-CQSZACIVSA-N 375.400 2.689 0 40 GFAB Cc1ccc(C(=O)N2CC3(C2)OCC[C@@H]3COCC2CCOCC2)cc1F 248136335 ZUBVGXUEMLQTRT-GOSISDBHSA-N 377.456 2.808 0 40 GFAB CC(C)Oc1ccc(CN2CCC[C@@]3(CC2)Cc2c(N)nc(N)nc2O3)cc1 257246488 IUHNSSAYCMUEEV-OAQYLSRUSA-N 383.496 2.788 0 40 GFAB CCOc1nccn2c(CNC(=O)Cc3ccc(SC(C)C)cc3)nnc12 253471565 DHJGYGBXQHDODJ-UHFFFAOYSA-N 385.493 2.882 0 40 GFAB O=C(CC1CCC(F)(F)CC1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 638441623 YAWZNAPBAGIWNX-MRXNPFEDSA-N 395.498 2.741 0 40 GFAB Cc1cnc2c(S(=O)(=O)N3CCn4cc(C(F)(F)F)nc4C3)cccc2c1 1191175585 UHHWOSAHESWDAI-UHFFFAOYSA-N 396.394 2.963 0 40 GFAB CN(C(=O)C1(n2cnnn2)CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 622872093 VHTFCFDOHNTHMA-UHFFFAOYSA-N 389.765 2.514 0 40 GFAB C[C@@H]1CN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)C[C@@H](C)C1(F)F 626600206 DKPAEOOBLAEGMK-FMTVUPSXSA-N 394.422 2.838 0 40 GFAB O=C1[C@H](N2CCN(c3nc4ccccc4s3)CC2)CCN1CC(F)(F)F 507895159 KEQTYIGGXPNULG-CYBMUJFWSA-N 384.427 2.582 0 40 GFAB O=C(c1c(F)cccc1F)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084954 RKGKAFLRTRRIEW-LLVKDONJSA-N 375.404 2.985 0 40 GFAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)c3cnc(C)cn3)nn2c1O 12161760 YVEFUWLWJQTJHD-KRWDZBQOSA-N 380.452 2.772 0 40 GFAB C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCSCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184788 SRWOMQHWEUBBOO-XQJRBRMLSA-N 386.517 2.907 0 40 GFAB Cc1cc(C)n(CCC(=O)N[C@H](Cc2ccsc2)c2nccs2)c(=O)n1 12226929 CQKGTNIVCSABSV-OAHLLOKOSA-N 388.518 2.868 0 40 GFAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 6788133 XMWTUPKCNBIYBT-AWEZNQCLSA-N 386.448 2.934 0 40 GFAB Cc1nnc2c(N3CC[C@@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@H]43)nccn12 1889149307 MAMYVVNXJMIYQO-TZMCWYRMSA-N 389.385 2.562 0 40 GFAB Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1I 1430674 UZYWITKBIKTAEY-UHFFFAOYSA-N 395.244 2.689 0 40 GFAB COC(=O)NC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc(C)c1C 5145079 DUEPMBFBSUJFEM-CYBMUJFWSA-N 390.417 2.640 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2)N2CCOCC2)cc1 23106336 INUGCUQZLABEFB-IBGZPJMESA-N 376.403 2.777 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)c1OC 618255783 ZCQWRRFRJCYRIZ-AWEZNQCLSA-N 379.416 2.941 0 40 GFAB O=C(NC[C@](O)(c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 70968871 CWEXDNPUJCYBME-IBGZPJMESA-N 376.815 2.832 0 40 GFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1 40040640 GVWNTWXCKOJUEG-UHFFFAOYSA-N 399.491 2.661 0 40 GFAB CC(C)(C)c1ccc(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 30429060 VCASJJKPCQJCQN-UHFFFAOYSA-N 395.546 2.909 0 40 GFAB CC1CCN([C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2cccs2)CC1 40160970 BWUPVXYQUOUQQX-SFHVURJKSA-N 396.520 2.927 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nnc(C(C)C)s1 40267642 YNMTXKQDUHWROB-LJQANCHMSA-N 399.476 2.599 0 40 GFAB COC(=O)c1cc(NC(=O)Cn2cnc3c(C)cccc3c2=O)ccc1Cl 31057307 SSPHWEMLSBPLIV-UHFFFAOYSA-N 385.807 2.784 0 40 GFAB O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(CCCc1ccccc1)CN2 20522050 YFTAENOMWCSXJO-UHFFFAOYSA-N 396.878 2.997 0 40 GFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(c2ccccc2O)CC1 36892491 RNYIHOIAKJQYHE-GOSISDBHSA-N 387.505 2.557 0 40 GFAB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 8121012 YWZKXQQBAJONHL-UHFFFAOYSA-N 395.337 2.656 0 40 GFAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc2ccccc2c1 8186169 VXYNQOQTPNWDNG-UHFFFAOYSA-N 393.424 2.831 0 40 GFAB CCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 790484 UFQMMFCIGWSKDO-UHFFFAOYSA-N 396.476 2.914 0 40 GFAB CC(C)c1nn(CN2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c(=S)o1 32803790 LTMFZGFPMNCZEG-UHFFFAOYSA-N 396.538 2.990 0 40 GFAB CNc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(=O)oc2ccccc12 6823171 NAUGUOXILZQXJC-CYBMUJFWSA-N 377.400 2.826 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 6886922 XVADVRQTJWMLFY-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)c(OCC)c1 6961733 GOSNUKRRYCFIJH-ZSOIEALJSA-N 381.475 2.858 0 40 GFAB Cc1nc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cs1 7995598 FAOSKICLNKLICU-UHFFFAOYSA-N 388.474 2.829 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)OCC)cc2)cc1 2733883 HIMAFMJQFGFZQP-UHFFFAOYSA-N 377.418 2.841 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NCc1ccccc1 58159931 ZFRCYFLVWSDFJK-UHFFFAOYSA-N 375.494 2.763 0 40 GFAB Cn1cnnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 3187100 UIQOGTZRGNMFNP-UHFFFAOYSA-N 398.473 2.710 0 40 GFAB Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1C 57670341 IQDBEQLWPSJOIY-PZJWPPBQSA-N 398.555 2.988 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)OCc1nc(-c2cccs2)no1 24238896 ARDMYHQGLRETFK-UHFFFAOYSA-N 384.421 2.529 0 40 GFAB CC(C)c1cccc(N2C[C@@H](C(=O)Nn3cnc4ccccc4c3=O)CC2=O)c1 24834515 OBTDGGXHADMKKQ-INIZCTEOSA-N 390.443 2.643 0 40 GFAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1c[nH]c2ccccc2c1=O 25151104 AGYYYYLTVSFSIU-UHFFFAOYSA-N 375.428 2.945 0 40 GFAB CCNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CC(C)(C)C2 20801817 HUEJHKRSDMUIBG-UHFFFAOYSA-N 397.479 2.619 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)cc1F 26257971 CGZNYNQMTBHSRL-CQSZACIVSA-N 380.423 2.722 0 40 GFAB COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccc4c(c1)OCO4)N(C)CC3)OCO2 12660184 SGLZUWYAYMZTKG-HUUCEWRRSA-N 385.416 2.805 0 40 GFAB biogenic Cc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCc4ccccc4C3)nc2n1 12686254 QBHZABMHLKOHFP-UHFFFAOYSA-N 380.473 2.612 0 40 GFAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN1C(=O)c1cccs1 12601888 NOYQHXBJSPARKN-SFHVURJKSA-N 394.500 2.914 0 40 GFAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1)NCc1ccco1 3355019 XIOXZWJFDSHNLC-UHFFFAOYSA-N 392.408 2.519 0 40 GFAB CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1COC(=O)/C=C/c1ccco1 3366751 XEBCOVAUOUTQRP-BQYQJAHWSA-N 392.433 2.558 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1 3316611 VTQHEAJMUOVNNY-UHFFFAOYSA-N 377.194 2.842 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)c2ccco2)C1 27336298 CACUPVZPYYAYRD-DLBZAZTESA-N 385.464 2.678 0 40 GFAB CCNC(=O)COc1ccc(CNC(=O)N2CCC[C@H]2C(C)C)cc1OC 58214097 TVKUFVWFRWFVBN-INIZCTEOSA-N 377.485 2.540 0 40 GFAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCC(=O)O 2124416 HOBOFBGGTHPEDQ-CYBMUJFWSA-N 381.384 2.818 0 40 GFAB biogenic C[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3csc4ccccc34)CC2)C1 27965843 DVDGSAXQFRDUFM-MRXNPFEDSA-N 393.578 2.996 0 40 GFAB O=C(CNc1cc(F)cc(F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10630395 LWOJSZLZHMFWFS-KRWDZBQOSA-N 380.416 2.597 0 40 GFAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 10705989 XTRIPFZFEVXGST-UHFFFAOYSA-N 397.500 2.765 0 40 GFAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 48331804 HPFTXBJMKIJTGF-UHFFFAOYSA-N 375.446 2.918 0 40 GFAB O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 3444204 KMCJCHZAMGFUNL-UHFFFAOYSA-N 381.400 2.772 0 40 GFAB C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N1CCc2ccccc21 12939111 ASWWYIMEFCNLTA-MLGOLLRUSA-N 382.391 2.773 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)C1CCN(c2nnnn2-c2ccccc2)CC1 12913565 WITUQTNSUALPCV-UHFFFAOYSA-N 391.431 2.533 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1)OCc1ccccc1 12903499 LIDRXEFRYBECOL-WOJBJXKFSA-N 382.460 2.819 0 40 GFAB CN(C)c1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCNCC2)n1 48623066 IVACHXWDVWAIFL-SFHVURJKSA-N 379.508 2.526 0 40 GFAB CCn1nc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c2ccccc2c1=O 13177009 MAFISODNSFHOLZ-MRXNPFEDSA-N 383.379 2.501 0 40 GFAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccncc1 408702589 BWXVCIBTLHBOBH-UHFFFAOYSA-N 381.457 2.840 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)cc2)cc(C(=O)OC)c1 408607570 MVQNQTVZYDAICK-UHFFFAOYSA-N 395.458 2.783 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C1 6028211 GKQXIVKWZBPHEN-HZPDHXFCSA-N 388.508 2.762 0 40 GFAB Cc1sc2ncn(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)c(=O)c2c1C 6111163 JKLOAQDCFDHDHA-LLVKDONJSA-N 396.472 2.839 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c1 4393291 NMPFJWNIAMWBKN-JFBPSJKJSA-N 377.437 2.638 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1C 5326270 GSPQLBMDNSYSTM-UHFFFAOYSA-N 380.347 2.882 0 40 GFAB O=C(c1cnc2n(c1=O)CCS2)N1CCC(c2nc3ccccc3s2)CC1 14228460 FXUGAQSRJLENSP-UHFFFAOYSA-N 398.513 2.979 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c1C 6552798 NCXZVFNFTUKUJM-JOCHJYFZSA-N 395.503 2.742 0 40 GFAB CN(C)C(=O)[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccccc1 5506304 RMBCWDDHPQJJON-QGZVFWFLSA-N 382.489 2.736 0 40 GFAB COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC(C)=O)cc2C)cc1 4735796 BGCJOMROFBDTQF-UHFFFAOYSA-N 377.418 2.671 0 40 GFAB Cc1occc1C(=O)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306124525 BSTAOGLFVHHGHJ-IBGZPJMESA-N 389.415 2.906 0 40 GFAB Cc1c(C(=O)NCCN(C)C2CCCC2)nnn1-c1cccc2ncccc12 66838733 QPXQLDHWOFGWGR-UHFFFAOYSA-N 378.480 2.728 0 40 GFAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NC1CCCC1 8727378 LMAVARYCPNUBCL-UHFFFAOYSA-N 380.473 2.932 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)C13CC4CC(CC(C4)C1)C3)CS2 5875795 KEXVIZUUVIJBSQ-REDNTKGTSA-N 377.506 2.769 0 40 GFAB COc1ccc(-n2nc(C(=O)NCc3ccccc3Cl)c(=O)cc2OC)cc1 67350161 DDQZOQFJPKDUGC-UHFFFAOYSA-N 399.834 2.833 0 40 GFAB O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 7268799 CKUOZGJWAKHMCF-UHFFFAOYSA-N 382.844 2.850 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408618102 BYBQKJLLOVOFMP-OCKGCPIVSA-N 390.361 2.697 0 40 GFAB Cc1ccccc1[C@H](C)NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O 7813631 XAOXZQXEDPGACV-ZDUSSCGKSA-N 396.365 2.596 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1n[nH]c(CC(C)C)n1 96114885 INYOXYPPJCXGFE-UHFFFAOYSA-N 384.436 2.998 0 40 GFAB biogenic COC(=O)c1cc(NC(=O)c2nc(SC)ncc2Cl)cc(C(=O)OC)c1 9305004 TZPIPEPMONRYDB-UHFFFAOYSA-N 395.824 2.677 0 40 GFAB CCOc1ccc(/C=C/C(=O)N[C@](C)(COC)CC(=O)OC)cc1OCC 95963963 YUSDGAWHGOWRFM-BQYDLMEBSA-N 379.453 2.582 0 40 GFAB CC[C@H]1CCc2nc(NC(=O)c3ccc(S(N)(=O)=O)cc3F)sc2C1 95983235 BASZFYCBHCBJPY-VIFPVBQESA-N 383.470 2.697 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(C[C@@H]1CCCO1)[C@@H]1CCSC1 89952368 NJCXSYULYIWQIH-MSOLQXFVSA-N 378.538 2.640 0 40 GFAB COc1ccc([C@@H](CC(=O)NCc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1547139263 SMGOEKUEVIVHHA-GOSISDBHSA-N 394.427 2.896 0 40 GFAB biogenic CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)cc1 547597835 QCZNPVHMLUXDLE-QGZVFWFLSA-N 391.493 2.806 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)c3cccs3)CC2=O)c(OC)c1 408651701 NVYXNGFYQDISPB-GFCCVEGCSA-N 389.429 2.544 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)c1 524734331 UFXJTDIATQBRFC-UHFFFAOYSA-N 387.465 2.996 0 40 GFAB O=C(Cn1c2c(c3ccccc31)CCC2)N1CCN(C(=O)c2ccco2)CC1 36708616 XZQQUKSARVWSTK-UHFFFAOYSA-N 377.444 2.708 0 40 GFAB COCc1nnc(NC(=O)Cc2csc(-c3cccc(OC)c3)n2)s1 36364934 SVJBGWADWQLOJI-UHFFFAOYSA-N 376.463 2.998 0 40 GFAB Cc1cc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)ccc1F 67263154 IJMMFOJHLIFYQO-UHFFFAOYSA-N 383.402 2.816 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218659672 LAVGVDDIQPWLTO-JFIYKMOQSA-N 379.865 2.624 0 40 GFAB O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1ccc(-c2cnc[nH]2)cc1 1568093201 HVQGGZDISONGBG-UHFFFAOYSA-N 379.351 2.524 0 40 GFAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225680892 DBIVXHIYUHDBLL-CQSZACIVSA-N 397.566 2.533 0 40 GFAB COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cnns3)c2C)c1 568183727 VCKOSIPGTULAJX-GOSISDBHSA-N 385.493 2.923 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)c1 223709582 TUSVPGSIUHTUBW-UHFFFAOYSA-N 387.461 2.676 0 40 GFAB NS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2cccc(Br)c2)c1 40058031 JDHKUJGDSZDBNO-BQYQJAHWSA-N 396.266 2.716 0 40 GFAB COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222988431 OEMBWIVWZQZCGQ-SFHVURJKSA-N 398.503 2.808 0 40 GFAB CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Br 41092077 XNNULDMFRMZBRE-UHFFFAOYSA-N 391.331 2.564 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222993986 MVFIDJPLQGKZBU-OALUTQOASA-N 379.489 2.886 0 40 GFAB FC(F)(F)CN1CCC[C@H](Nc2nc(-c3cccnc3)nc3c2CCC3)C1 582385446 GGRPSSGYWWSVGI-AWEZNQCLSA-N 377.414 3.466 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)Nc3nccs3)c(=O)cc2OC)cc1 96101053 TUEDLJNNGXTEKV-NSHDSACASA-N 386.433 2.584 0 40 GFAB Cn1cc(CN2CCC3(CC2)CN(C[C@@H]2CCOC2)Cc2ccccc23)cn1 96242585 GAYDPIXQLSFCSK-IBGZPJMESA-N 380.536 2.806 0 40 GFAB CCC(=O)N1CCc2cc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ccccc4)C3)ccc21 585085628 GAPUPFQUQIEFPQ-RBUKOAKNSA-N 392.455 2.926 0 40 GFAB CCc1nnsc1C(=O)N1CC[C@@H](Cc2cncc(-c3c(C)noc3C)n2)C1 257246523 IUMJDQIICLJSNH-ZDUSSCGKSA-N 398.492 2.867 0 40 GFAB CCN(CC)c1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)c(O)c1 257258444 KTWJPZMXVCXINQ-HMXCVIKNSA-N 384.476 2.939 0 40 GFAB CC1(C)OCC[C@H]1CNC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 664623602 IUCNNASBUDEYRB-HOCLYGCPSA-N 387.459 2.513 0 40 GFAB COc1ccc(F)cc1C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 677592739 BZWOXBWOFJMKIY-GOSISDBHSA-N 392.858 2.979 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCC(n2nnc3ccsc3c2=O)CC1 390830757 NDOMUABPUIZCLO-UHFFFAOYSA-N 388.880 2.913 0 40 GFAB O=S1(=O)CC[C@H](N(CCNCc2cccc(F)c2)Cc2ccc(F)cc2)C1 575420021 DHQIZXGJYGQRKN-FQEVSTJZSA-N 394.487 2.744 0 40 GFAB C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC(=O)N1Cc1ccccc1 664808726 AHUNTKSRFYAREC-KBUFDUGLSA-N 393.462 2.953 0 40 GFAB O=C1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)[C@H]2CN(CC3CCCC3)C[C@@H]12 585106043 HECDLDPPMAFIQK-UXHICEINSA-N 399.510 2.669 0 40 GFAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(N2CCCS2(=O)=O)cc1 46811705 KWYUXTMEYWZNGJ-UHFFFAOYSA-N 396.472 2.593 0 40 GFAB O=C(Cc1ccsc1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615156542 JNMPZDGMGITMNS-HXUWFJFHSA-N 388.464 2.854 0 40 GFAB CCn1ncc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1C 1615157369 MPTXLAZPCOGWLS-QFIPXVFZSA-N 396.491 2.640 0 40 GFAB CN1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]2COc3ccccc3[C@@H]21 1772595964 WEHNZOJQQCPLII-GIWBLDEGSA-N 391.515 2.642 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1 11866009 FPOOEMCXGFQRQZ-CQSZACIVSA-N 378.384 2.793 0 40 GFAB biogenic COc1ccc2c(c1)cc(C)c1nn(CC(=O)N(C)C3CCCCC3)c(=O)n12 12181603 BATCXNIICAUXGS-UHFFFAOYSA-N 382.464 2.757 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)c1 12336955 HARGQLDXBRMQJD-GOSISDBHSA-N 380.448 2.967 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccncc1)N(Cc1cnc(N)nc1)CC2 12363858 RHRSXZXULWMWCS-HXUWFJFHSA-N 377.448 2.619 0 40 GFAB CC(C)CN(C(=O)/C=C/c1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 12859701 BDBYDIQWWCSGFN-HSBSLETESA-N 378.519 2.981 0 40 GFAB CC(C)Cc1nn2c(=O)cc(COC(=O)COc3ccc(F)cc3)nc2s1 15734045 FKHAXAVFALVUGH-UHFFFAOYSA-N 391.424 2.611 0 40 GFAB O=C(Nc1cccc(OCCN2CCOCC2)c1)c1ccnc(N2CCCC2)c1 19330956 DPVYTGBGDYXYKS-UHFFFAOYSA-N 396.491 2.645 0 40 GFAB CCc1cc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)no1 19522658 JZBCUYROFIYWNR-SFHVURJKSA-N 399.495 2.867 0 40 GFAB COc1ccc(C2(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)CCOCC2)cc1 19661519 WQZXYWUHKHTDNB-OAHLLOKOSA-N 385.508 2.841 0 40 GFAB CC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)CC3)C1 19695949 TYJCQNXOSHKLAH-QGZVFWFLSA-N 396.466 2.782 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@H]3CCCN3C)C2)c1 19705536 VEQHKZIQJOPNRT-QGZVFWFLSA-N 383.496 2.553 0 40 GFAB CN(C)Cc1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nn1C 19709030 IUHHVWJEUXGJMK-AWEZNQCLSA-N 396.944 2.703 0 40 GFAB CC(C)c1nccn1CCC(=O)N1[C@H]2CC[C@H]1[C@]1(C2)NC(=O)c2ccccc2N1 100119707 DHWLMXYWDWZFHV-VPKVUBIPSA-N 393.491 2.712 0 40 GFAB Cc1nnsc1C(=O)N1Cc2nc3cc(-c4ccc(F)cc4)nn3c(O)c2C1 100215614 JYPLUSKZXIBPFD-UHFFFAOYSA-N 396.407 2.557 0 40 GFAB COc1ccc(OC)c(CN2CCC(c3noc(-c4cnccn4)n3)CC2)c1 12328100 ROFKVRCQTZVFDT-UHFFFAOYSA-N 381.436 2.923 0 40 GFAB COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cn1 17296372 JYPLJBIFRXRYAR-UHFFFAOYSA-N 384.461 2.838 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 22704444 YCWQAXILLAGUCG-UHFFFAOYSA-N 399.491 2.784 0 40 GFAB FC(F)(F)c1cccnc1N1CCN(c2nccc(N3CCCC3)n2)CC1 1163637899 SJJCCTOULNTMBK-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB CCN1CCc2ccccc2NC2(CCN(Cc3nccn3C)CC2)CC1=O 2037985798 WOXMHVDEZGDVBO-UHFFFAOYSA-N 381.524 2.662 0 40 GFAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)c2ccc(OC)nc2)C3)cc1 2056224800 WIZITBPCIKNFSI-MRXNPFEDSA-N 385.489 2.911 0 40 GFAB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4ncnc5n[nH]cc45)C3)ccc2n1 2087065703 XLVMKNUXGWEQBI-CYBMUJFWSA-N 392.467 2.598 0 40 GFAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cc(C)nn3C)nc12 11613303 RFLCVQYTJIRCTR-UHFFFAOYSA-N 387.509 2.864 0 40 GFAB COc1ccccc1NC(=O)NCCNc1ccc(Nc2ccncc2)nn1 11697830 GATGZBXRJATGSA-UHFFFAOYSA-N 379.424 2.857 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2C)c(=O)cc1OC 15881269 HWWSEMFBOZNKDP-UHFFFAOYSA-N 393.399 2.588 0 40 GFAB Fc1c(-c2ccccc2)ncnc1N1CCN(c2nccn3nccc23)CC1 1775970405 LQUJIZHBHLEFMF-UHFFFAOYSA-N 375.411 2.652 0 40 GFAB O=S1(=O)CC[C@H](CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)C1 2086896500 CXCPVFFMRHAICJ-CYBMUJFWSA-N 379.913 2.897 0 40 GFAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2c(c1)OCO2 207998038 PSACAQVXNPJHAJ-OAHLLOKOSA-N 379.372 2.704 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 244909766 AULZDYDZSQVRPA-SFHVURJKSA-N 388.489 2.897 0 40 GFAB Cc1ccc(NC(=O)CCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100789924 VOZDARJBHSTPBA-IRXDYDNUSA-N 379.460 2.521 0 40 GFAB biogenic CCc1cccc(CC)c1NC(=O)CSc1nc(=O)[nH]c(C)c1C(=O)OC 31618381 HJZSVHPTHWTCMD-UHFFFAOYSA-N 389.477 2.721 0 40 GFAB CC(C)CCNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 7386329 HZTBOLXWCBDQHL-UHFFFAOYSA-N 398.488 2.997 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)NC(C)(C)C1 29788088 WRZSABAPEVHHIX-CQSZACIVSA-N 381.542 2.557 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)n2N)cc1 2642412 IJJQAMGCVRZLBM-CYBMUJFWSA-N 395.488 2.737 0 40 GFAB CCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCC)cc2)cc1 41096877 NHNDWDKKPWPCKO-UHFFFAOYSA-N 396.534 2.730 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 32788750 UXRDPALDPSVWDS-LBPRGKRZSA-N 380.408 2.507 0 40 GFAB CC(C)CN1CCO[C@@H](CNC(=O)Nc2nnc(-c3ccsc3)s2)C1 52496736 AUSPUMRVIYUPDO-ZDUSSCGKSA-N 381.527 2.745 0 40 GFAB C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)NC(N)=O 2622632 IUUVSOYAOUXPEZ-LBPRGKRZSA-N 399.451 2.808 0 40 GFAB CCOc1ccccc1CCCNC(=O)CN(c1ccccc1)S(C)(=O)=O 10110924 ITUFMSIJWFEZCP-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 32995766 HYSXDVHRJOLNSW-VQIMIIECSA-N 383.448 2.789 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN(C)C)c2C)cc1 10369257 XTUIYKIGYMSQQA-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB S=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 8644293 CEPHLWFVQKNLFC-WJFTUGDTSA-N 376.522 2.535 0 40 GFAB biogenic,in-vitro COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)cc1OC 33549030 IQQSFZWRYYZVPW-HXUWFJFHSA-N 384.363 2.670 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 20455485 KGYGDVVUWCTCIF-HNNXBMFYSA-N 376.478 2.502 0 40 GFAB COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCSCC2)cc1 20098478 BYEJNSKTZJXOCU-QGZVFWFLSA-N 387.534 2.930 0 40 GFAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCn1nnc2ccccc2c1=O 12389360 WTPAZAGXGCYEGX-OAHLLOKOSA-N 389.459 2.800 0 40 GFAB COC(=O)CCNC(=O)c1ccccc1SCc1occc1C(=O)OC 54957874 XNBABWWVICUQOV-UHFFFAOYSA-N 377.418 2.651 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 24331373 SMAYWEWJBCINCO-HNNXBMFYSA-N 398.488 2.812 0 40 GFAB CC(C)N(C(=O)NC(=O)Nc1nc(-c2ccccc2)cs1)S(C)(=O)=O 3163897 UDMBNCJUZSLVPQ-UHFFFAOYSA-N 382.467 2.722 0 40 GFAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 57424516 COUDZQQUCLDVFH-QGZVFWFLSA-N 385.551 2.932 0 40 GFAB Cc1nn(C)c2ncc(CN(Cc3ccccc3)[C@H](C)CN3CCOCC3)cc12 108366114 JVCQJMPWCSZPCF-GOSISDBHSA-N 393.535 3.000 0 40 GFAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 3208384 FXNHIHKKVRYEFR-UHFFFAOYSA-N 378.519 2.508 0 40 GFAB O=S(=O)(Cc1nc(-c2ccoc2)no1)c1nc(CCC2CCCC2)n[nH]1 108592862 CVOMBZBFFCDPII-UHFFFAOYSA-N 377.426 2.544 0 40 GFAB CC1(C)[C@]2(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC[C@@]1(C)C(=O)C2 20113726 CIWHWNOFXQKTNT-XZOQPEGZSA-N 398.503 2.845 0 40 GFAB COc1cccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)c1 10169186 JUCZTZQRIJKAJF-HXUWFJFHSA-N 375.428 2.867 0 40 GFAB biogenic COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20041951 WELQUNZLYSNKNT-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB CN1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 58406594 BDNWQIYVMQEZKG-AWEZNQCLSA-N 395.345 2.669 0 40 GFAB CCn1cc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21 11472788 UYPNMQALLKHSHE-CQSZACIVSA-N 385.464 2.719 0 40 GFAB O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)Nc1cccc(C(=O)NC2CC2)c1 12883062 WCHLOKKILJUEOY-HXUWFJFHSA-N 397.450 2.730 0 40 GFAB COc1ccccc1N1C(=O)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]21 7718512 UEDYAEIEYVWGEE-HOTGVXAUSA-N 392.864 2.961 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 3461522 UGWQCVJMVJPRFC-SBUREZEXSA-N 393.487 2.900 0 40 GFAB CCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1=O 13040392 DMYKWEAIWFHPSX-OAQYLSRUSA-N 397.479 2.928 0 40 GFAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1 16467108 YBOBQVAQXNRRAO-UHFFFAOYSA-N 386.433 2.643 0 40 GFAB CC(C)(C)NC(=O)NC(=O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 68831382 IJOHSZGZAPXLNA-UHFFFAOYSA-N 390.311 2.802 0 40 GFAB CCc1ccc([C@@H](CNS(=O)(=O)c2cc(C(=O)O)cs2)N(C)C)cc1 13309920 LXAYWFJXOAZETI-OAHLLOKOSA-N 382.507 2.590 0 40 GFAB COc1ccc(OCCC(=O)Nc2cc3c(cc2C(=O)O)OCCCO3)cc1 8132275 PPDJDLIHPOOHEJ-UHFFFAOYSA-N 387.388 2.962 0 40 GFAB O=C1CCC(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)=NN1 4334042 KXHSVYGMZPZXKS-FQEVSTJZSA-N 375.384 2.901 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)c1 5348740 QLEVXXMCGMWPIS-LJQANCHMSA-N 386.404 2.853 0 40 GFAB COc1cc2c(cc1NC(=O)CN1CCCC[C@H]1C(N)=O)oc1ccccc12 14137840 YLDGHNOABCJSDT-INIZCTEOSA-N 381.432 2.873 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)c(OC)c1 8217761 RWXWLOKXSDAPLN-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB C[C@@H]1CN(C2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC2)CCO1 66395988 BLAQCZMRADWNLO-MRXNPFEDSA-N 395.544 2.536 0 40 GFAB COc1ccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1OC 6759225 NVIRFPMHWSEUKK-UHFFFAOYSA-N 381.432 2.735 0 40 GFAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8314551 CAOFQAFENXYWQF-OAQYLSRUSA-N 380.400 2.628 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]21 4992521 XYMLIGXWGQOEGG-MJGOQNOKSA-N 391.431 2.544 0 40 GFAB Cc1ccc2nc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 6908865 YDJAWYQEBRWZHA-CQSZACIVSA-N 395.550 2.635 0 40 GFAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 7215189 KVJUMWDUMFKZCW-UHFFFAOYSA-N 392.477 2.873 0 40 GFAB COc1ccc2nnc(CCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2n1 71284287 YJQUHSXZYZIEIZ-UHFFFAOYSA-N 398.854 2.559 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3ccc4c(c3)CCCC4)no2)cn1 96001754 XSRNJZBWZABAMH-GOSISDBHSA-N 393.447 2.563 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1 20799957 HRMMJTNUDGCJGZ-AWEZNQCLSA-N 394.479 2.730 0 40 GFAB CN(Cc1ccc(/C=C/C(=O)NCc2ccccc2Cl)o1)S(C)(=O)=O 20449827 ASWLPDJYEZLYFE-MDZDMXLPSA-N 382.869 2.654 0 40 GFAB C[C@@]1(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1(Cl)Cl 84673277 VDGYJUIDUWIJAM-ZBFHGGJFSA-N 375.271 2.899 0 40 GFAB CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 84790983 PDKRINFLLZISHF-BDJLRTHQSA-N 398.290 2.861 0 40 GFAB CC(C)[C@@H](O)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1 95444425 OKHVTVBCVWNHDO-LJQANCHMSA-N 376.478 2.830 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988525 CLZLGDGDJNPKKS-SFHVURJKSA-N 390.461 2.559 0 40 GFAB COC(=O)C1CCC(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1 89396539 JRRGHTHYJPZZDZ-UHFFFAOYSA-N 390.455 2.526 0 40 GFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1cccs1 22069144 LJYIEVCNFPCJLT-MAUKXSAKSA-N 375.450 2.622 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1C1OCCO1 60348743 WNTJNBYIKUCCGA-CYBMUJFWSA-N 381.372 2.501 0 40 GFAB Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(Nc2ccc(F)cc2)n1 52635605 WPIPDGBQPPVURG-UHFFFAOYSA-N 397.433 2.798 0 40 GFAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(Cl)nc1 6633790 IKFZNRNXMAABRA-UHFFFAOYSA-N 394.612 2.862 0 40 GFAB COc1ccccc1NC(=O)c1cc2c(COC(C)=O)cnc(C)c2oc1=O 33048686 GZKOGTIZIOQYDD-UHFFFAOYSA-N 382.372 2.820 0 40 GFAB O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc2ncsc2c1 70655832 GFJHCTKJUJLMDZ-UHFFFAOYSA-N 376.441 2.950 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)cc1 222642619 AKSTZJPKZQNPDU-UHFFFAOYSA-N 376.463 2.809 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1)c1ccccc1 225774450 FPWBTYATXOBGIF-UHFFFAOYSA-N 396.400 2.869 0 40 GFAB CCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242254 XIYKEWAZNCGFIT-GOSISDBHSA-N 383.536 2.608 0 40 GFAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21)NC1CC1 96079510 BOEKPMYMIBYJOZ-KRWDZBQOSA-N 390.487 2.807 0 40 GFAB COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3ccc4ccccc4n3)C2)C1 96228483 WIIGKHDZGCHYPH-WZONZLPQSA-N 397.519 2.824 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2[C@@H]4CCCC[C@@H]24)C3)C1 247940508 NEWOKEPTECYZQZ-CGTJXYLNSA-N 382.508 2.523 0 40 GFAB CCOc1ccc(OCC(=O)NCCN2CCN(C)C[C@H]2c2ccccc2)cc1 245225559 YCRJWDXPOWQQBG-QFIPXVFZSA-N 397.519 2.569 0 40 GFAB CC(C)n1nccc1-c1cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)ccn1 257313845 UUJDLDNQXJNJFK-INIZCTEOSA-N 377.514 2.512 0 40 GFAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4cccn4)C3)o2)cc1 257327024 WZODQGOHIIYRQK-KRWDZBQOSA-N 380.448 2.877 0 40 GFAB COc1cc2nc(CN3CCc4nc(C5CC5)ncc4C3)nc(O)c2cc1OC 528735555 GHBICODKPLYUQZ-UHFFFAOYSA-N 393.447 2.578 0 40 GFAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CCN(Cc2ccccc2)CC1 256046116 CUNZNVOHAMRNDZ-UHFFFAOYSA-N 397.866 2.941 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)NC[C@H](C)c2ccccc2)Oc2ccccc21 260850857 SEHPDPPRTAUHOH-HNAYVOBHSA-N 388.489 2.524 0 40 GFAB C[C@H](NC(=O)Cn1cnc2c1CCNC21CCOCC1)c1ccc(Cl)cc1 1615587944 APSSSYCWTZMOIO-AWEZNQCLSA-N 388.899 2.565 0 40 GFAB O=C(Cc1c(O)ncnc1O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 1634714856 APACQVBKAJBXEJ-AWEZNQCLSA-N 396.216 2.599 0 40 GFAB O=C(O)COc1ccc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 621540096 KAHCJCAHJWAJGC-HXUWFJFHSA-N 381.428 2.974 0 40 GFAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC1CC1 72334405 ADOYUVPAIUXPBV-XUZZJYLKSA-N 389.499 2.512 0 40 GFAB COc1cc2ncn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2cc1OC 12584845 HHCODBSNRHXJSS-HNNXBMFYSA-N 395.459 2.551 0 40 GFAB biogenic Cc1cc(NC(=O)CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)no1 12633838 JASNBFCWAQMVDP-LLVKDONJSA-N 385.453 2.927 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)C[C@H](C)NC(=O)c2ccccc2)c(C)c1 12929983 FWMKYAAFMBLKFH-KRWDZBQOSA-N 381.476 2.875 0 40 GFAB O=C(C(=O)N1CCOCC1)c1cn(CCOc2ccccc2F)c2ccccc12 14135994 GFFSDROWQRUZHH-UHFFFAOYSA-N 396.418 2.901 0 40 GFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](C)CCCC(C)C)c1 16092461 JXPKHBMIRTUNBU-ZDUSSCGKSA-N 385.482 2.753 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCCC3)CC1)O2 19218054 AWYQSWCCOKHSEM-OPAMFIHVSA-N 384.476 2.722 0 40 GFAB COc1ccccc1CN1CCN(c2ccccc2[C@@H](O)c2nccn2C)CC1 19291348 NRXDQVFEVSWFIP-JOCHJYFZSA-N 392.503 2.833 0 40 GFAB CCC(F)(F)C(C)(C)CNC1CCN(S(=O)(=O)C2CCOCC2)CC1 527661298 JHRYTGJQFSTMNK-UHFFFAOYSA-N 382.517 2.621 0 40 GFAB CN(C)c1ccnc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n1 1889116272 MNMKGMUGHWWSDE-TZMCWYRMSA-N 378.402 2.672 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(Cl)c2c(c1)OCO2 28334851 OUYRTMHLWCFWSO-SNVBAGLBSA-N 396.852 2.549 0 40 GFAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(Cc2nnc3n2CCC3)C1 1776000921 QBOONPUTPYCPCD-CYBMUJFWSA-N 381.402 2.929 0 40 GFAB COC(=O)[C@H]1C[C@H](N(C)Cc2ccccc2)CCN1C(=O)c1cc(C2CC2)on1 1565547651 RCCFWIAFLSFPRU-IEBWSBKVSA-N 397.475 2.830 0 40 GFAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(Oc2ccccc2)cc1 4386370 BFJIFSCJNNGNPD-UHFFFAOYSA-N 387.399 2.766 0 40 GFAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cc2ccccc2oc1=O 5250640 FEORDHZQPGRGDZ-UHFFFAOYSA-N 398.440 2.975 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1F 17120985 VQVQABUXPXGPQQ-FQEVSTJZSA-N 399.466 2.652 0 40 GFAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc(Cl)cc1 22767297 MTMGLNDGLYRPCE-MRXNPFEDSA-N 386.926 2.753 0 40 GFAB O=S(=O)(c1ccc(F)cc1F)N1CCCN(C2CCSCC2)CC1 1775968176 MDOIUADVLWHKQI-UHFFFAOYSA-N 376.494 2.557 0 40 GFAB O=c1c(=O)n(C2CCCCC2)ccn1Cc1nc(Cc2cccc(F)c2)no1 1775968216 NDPYUAFHBCPLIX-UHFFFAOYSA-N 384.411 2.676 0 40 GFAB O=C(Cn1ccc2ccccc21)NCCn1nc(-c2cccs2)ccc1=O 43999829 DMCKFAOCACFYQG-UHFFFAOYSA-N 378.457 2.743 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]2C1=O)C31CC1)c1ccc(Cl)cc1Cl 100057591 JTZFHKVDVOTUHR-AUZPSNTRSA-N 377.227 2.835 0 40 GFAB Cc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2c1 40111513 ACFIRKCZYQNAOT-UHFFFAOYSA-N 390.487 2.794 0 40 GFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O 40127680 GYXQPZNDMZODQO-LJQANCHMSA-N 391.349 2.900 0 40 GFAB CSCC[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2636053 KUYZBILNNJVVEX-KRWDZBQOSA-N 386.448 2.860 0 40 GFAB CCOc1ccc2nc(NC(=O)Cn3nc(O)c4ccccc4c3=O)sc2c1 2645704 VOGWUBKWORXULG-UHFFFAOYSA-N 396.428 2.749 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(OC(F)F)cc2)c2ccccc2O1 32764533 YZAKJXWQQNLLDY-KRWDZBQOSA-N 390.386 2.761 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc(C)c1C 32893948 KCSJHTIEHKVOMW-UHFFFAOYSA-N 377.466 2.648 0 40 GFAB O=C(CN(Cc1ccccc1F)C(=O)c1csnn1)NC1CCCCC1 4964857 XKFYLDSHPMPIKD-UHFFFAOYSA-N 376.457 2.769 0 40 GFAB COC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 8092332 AVJXQRPKJMFDNW-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB CC(C)(C)c1nc2cc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2[nH]1 32906190 MELNWXUBOGRMPO-UHFFFAOYSA-N 391.431 2.502 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 33005393 NQNJLPKKAQWSPU-OAHLLOKOSA-N 380.872 2.652 0 40 GFAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 664816 DWOYYIANMXRNHY-HNNXBMFYSA-N 376.478 2.630 0 40 GFAB Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(N4CCOCC4)cn3)C2=O)cc1C 53301772 COPZIRBXPPOAKG-LJQANCHMSA-N 394.475 2.527 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cn2cc(Br)ccc2=O)o1 42398866 HBJJVLWZEQRNRF-RISCZKNCSA-N 379.254 2.986 0 40 GFAB COc1ccc([C@H]2C/C(=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)NN2)cc1 16973596 ZGDRNQKSMWKNHO-OTZFSBHDSA-N 392.415 2.607 0 40 GFAB COc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)c(OC)c1 2917421 PINAXTFLVRMMQO-UHFFFAOYSA-N 392.415 2.764 0 40 GFAB COCC(=O)N1[C@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 100753421 UPWWUKRFPBCYCC-KSSFIOAISA-N 378.432 2.640 0 40 GFAB COc1ccccc1NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 24367952 IKCLGSCETZPLOM-UHFFFAOYSA-N 386.427 2.623 0 40 GFAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 113957314 ASCWBMBSOXXOCD-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB CC(C)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 12550311 DOGJIEOBUNLWPN-DHZHZOJOSA-N 384.505 2.895 0 40 GFAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)c2ccccc2O1 12563302 GCQOYLIQNWBHOW-GOSISDBHSA-N 389.402 2.697 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Oc1ccccc1C(=O)NCc1ccccc1 25651535 WOEMQZNBJVQOHA-UHFFFAOYSA-N 386.429 2.989 0 40 GFAB COc1ccc(C)cc1C1(CNS(=O)(=O)N2CCCC[C@@H]2C)CCOCC1 57028402 RDOYYRWUHZEZIR-KRWDZBQOSA-N 396.553 2.761 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c1 10547333 AECQULXGXLCUOO-UHFFFAOYSA-N 388.367 2.887 0 40 GFAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc1F 57416906 PXEBJGHJTJKHDB-UHFFFAOYSA-N 379.438 2.874 0 40 GFAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 27339056 AWSZGOLRZICRDX-KFWWJZLASA-N 382.526 2.890 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2126210 GJSACNIIXRRSHE-INIZCTEOSA-N 381.388 2.757 0 40 GFAB biogenic COc1ccccc1-n1c(=O)c2c3c(sc2n2cnnc12)COC(C)(C)C3 2296375 LNDHNZFZPKZQOK-UHFFFAOYSA-N 382.445 2.955 0 40 GFAB COc1cc(OC)nc(NC(=O)CN(Cc2ccco2)Cc2cccs2)n1 10900898 LFEUNWJWIKGEQA-UHFFFAOYSA-N 388.449 2.789 0 40 GFAB CCC[C@](C)(NS(=O)(=O)c1ccc(Br)c(C)c1)C(=O)OC 12864084 OKHBTKASSQBLAD-AWEZNQCLSA-N 378.288 2.768 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)c(OC)c1 3466619 VPYRIHRVUKMRER-UHFFFAOYSA-N 384.182 2.855 0 40 GFAB COc1ccccc1Nc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 3494653 BXVZSRKGSUSIHL-LLVKDONJSA-N 380.495 2.678 0 40 GFAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3614956 SBCIVUYXNMWMDY-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H]1COc2ccccc2O1 13039285 BRBWLSYKAFQBQG-KRWDZBQOSA-N 399.834 2.765 0 40 GFAB COCCCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(=O)n3ccccc3nc21 13557027 PEAKSAYXGALXSH-IYBDPMFKSA-N 396.491 2.804 0 40 GFAB Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 4182827 LZONWBVYQAKVTB-IBGZPJMESA-N 387.501 2.898 0 40 GFAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Br)cc1 13730426 RLLHHUNUGBIRCM-CQSZACIVSA-N 385.221 2.975 0 40 GFAB COc1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1OC 6476438 QPVFONBPNXXKKU-UHFFFAOYSA-N 383.433 2.959 0 40 GFAB O=C(C1CC1)N1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 14110529 WYMLDRSQLDUUNZ-UHFFFAOYSA-N 391.269 2.553 0 40 GFAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2S(C)(=O)=O)cc1 5535589 HMNWPASNGVPKKN-CYBMUJFWSA-N 376.430 2.917 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 6759780 NVYADBOPEBZJOJ-UHFFFAOYSA-N 389.795 2.854 0 40 GFAB CCN(CC)C(=O)CN(c1cc(OC)c(Cl)cc1Cl)S(C)(=O)=O 5714950 UGTNRTNYHJDUCW-UHFFFAOYSA-N 383.297 2.636 0 40 GFAB CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 408556853 DXTHRFMYDLGQPK-SFHVURJKSA-N 396.553 2.555 0 40 GFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccco2)o1 5814023 CYDFDKADBZCNNI-UHFFFAOYSA-N 390.396 2.658 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976165 UWJCJXXAYUVQAM-HNNXBMFYSA-N 384.407 2.627 0 40 GFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 67205098 UOPJXYLYOIJSPG-MRXNPFEDSA-N 395.912 2.560 0 40 GFAB COc1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 29156047 PBEVXDVSMRBYDQ-UHFFFAOYSA-N 381.520 2.562 0 40 GFAB CC(C)N(Cc1ccccc1)C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 15374373 BKTJUZHZZMSNLB-UHFFFAOYSA-N 385.489 2.877 0 40 GFAB COc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CC1 7626832 BNOOYRHWQYHVQP-HOCLYGCPSA-N 392.521 2.788 0 40 GFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccsc2)no1 8185255 QWYSBPRYZFEBCI-GOSISDBHSA-N 382.401 2.528 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccncc1 9421968 SZQPVPDNWIBFPY-PZJWPPBQSA-N 380.469 2.931 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccccc1CN1CCCCC1 9547892 NMFYGWIQDCDCKD-UHFFFAOYSA-N 390.487 2.768 0 40 GFAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 22283158 WSZGOZQHDYHOLK-HNNXBMFYSA-N 389.883 2.964 0 40 GFAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951180 BEGJNZSVGZKUHG-LBPRGKRZSA-N 383.326 2.923 0 40 GFAB O=C(CCc1cncc(F)c1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 95984482 SMCDVNVXDVSHBS-IBGZPJMESA-N 391.874 2.996 0 40 GFAB Cc1ccccc1CN1CCCN(C(=O)CN2CCC(n3ccnc3)CC2)CC1 95955978 YKFVXKOCCXQHPG-UHFFFAOYSA-N 395.551 2.563 0 40 GFAB COc1ccc(C(=O)N[C@@H](C(=O)NCCCCCCC(=O)O)C(C)C)cc1 95956950 JCCRWQSXNSRXAC-GOSISDBHSA-N 378.469 2.601 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccncc4)C[C@@H]32)cs1 306133603 MQPYFGJHYIKPHX-OALUTQOASA-N 379.489 2.730 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccncc2)C1=O)N1CCc2ccccc2C1 409306374 ZQOYYIHGABKQAR-GZTJUZNOSA-N 379.441 2.703 0 40 GFAB Cn1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C[C@H]2CCCO2)cn1 32604104 RJICEAUBSVCFGE-MRXNPFEDSA-N 398.492 2.588 0 40 GFAB Cc1ccc(-c2cnc3n2C2(CCN(C(=O)c4ccn(C)n4)CC2)COC3)cc1 306144732 ZNJRZPVREMXYGC-UHFFFAOYSA-N 391.475 2.754 0 40 GFAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Br)cc12)N1CCCC1 35312618 ZWKPNBHNXMZOOR-UHFFFAOYSA-N 392.282 2.983 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 72390764 RUBDUIZSCNFHGY-OXJNMPFZSA-N 380.492 2.952 0 40 GFAB NC(=S)[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 218186634 MXTLARLGSJBSQP-JYJNAYRXSA-N 395.889 2.911 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccccn1)CC(F)(F)F 62021830 GQHWNVUNMIQTAE-UHFFFAOYSA-N 388.367 2.606 0 40 GFAB CSc1cccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219434867 AFRWHABIVCSSAA-UHFFFAOYSA-N 390.486 2.972 0 40 GFAB CCOC(=O)[C@H]1C[C@@]2(C)[C@@H](O)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 212415823 ZJRZYKZLCWIHRO-FTEYMNFISA-N 395.521 2.631 0 40 GFAB COc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 49951148 SDZQQCAMIUYKEZ-LFIBNONCSA-N 383.429 2.557 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C 225731067 FIFJXNMBILBQFO-UHFFFAOYSA-N 398.506 2.509 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 222438510 OCZXDZBGRZIQTD-KRWDZBQOSA-N 396.487 2.862 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 223043545 OVZKLXBQOXYSBW-UHFFFAOYSA-N 380.897 2.839 0 40 GFAB Cc1ccc(C)c2sc(OC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc12 49435443 UFFHKTNSSOQHGP-UHFFFAOYSA-N 398.488 2.690 0 40 GFAB Cc1cc(S(=O)(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)ccc1OC(C)C 571708177 UBHNWNBMDOOINO-IBGZPJMESA-N 383.510 2.741 0 40 GFAB COc1cccc2cc(C(=O)N3CCc4nc5ccc(F)cn5c(=O)c4C3)oc12 225781952 MAPHMGIHMPKZPY-UHFFFAOYSA-N 393.374 2.787 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N(C)C)cc2)c1=O 44839861 QVUUWLVKHNAGMS-HNNXBMFYSA-N 394.475 2.839 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 222542642 GUMUNDHGTYKRCC-CQSZACIVSA-N 392.477 2.805 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223359726 VOLREFZZUJRRCV-MRXNPFEDSA-N 390.505 2.817 0 40 GFAB COc1ccc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1F 225276311 ATGFMJYHTCNDQM-UHFFFAOYSA-N 382.395 2.702 0 40 GFAB Cc1noc([C@@H]2CN(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)CCN2C)n1 582561968 ZMLNBRMWQDQFEF-SFHVURJKSA-N 382.468 2.674 0 40 GFAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]32)C(=O)N1CC(C)C 96261542 HHBBDZQZMDQYQK-XQBPLPMBSA-N 382.508 2.893 0 40 GFAB CC(C)CCN1[C@]2(CCN(C(=O)C3(C)CC3)C2)c2ccccc2S1(=O)=O 96143246 IKOWVCJNASXORO-FQEVSTJZSA-N 376.522 2.965 0 40 GFAB Cc1cc(Nc2cc(C3CCN(C(=O)[C@@H](N)CC(C)C)CC3)nc(C)n2)[nH]n1 257282166 OSQOOAHSPZUEST-INIZCTEOSA-N 385.516 2.640 0 40 GFAB O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F 1606632803 IDPZAQAHPVRVNC-ACJLOTCBSA-N 381.411 2.904 0 40 GFAB CN(C1CCC(F)(F)CC1)S(=O)(=O)c1ccc(C(=O)CCC(=O)O)cc1 287292389 SLQDRTCPAKDMKW-UHFFFAOYSA-N 389.420 2.933 0 40 GFAB CCc1cc(C(=O)N2CC3(CCNCC3)[C@H]3COC[C@H]32)ccc1Br 1615591867 TXXIWZJJTWJZTL-DOTOQJQBSA-N 393.325 2.852 0 40 GFAB C[C@H]1CN(c2nnc(-c3c[nH]cc(C(F)(F)F)c3=O)n2CC2CC2)C[C@@H](C)O1 1123490934 TUKHWTWUWPTURY-PHIMTYICSA-N 397.401 2.676 0 40 GFAB CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC2CC1(CN)C2 595231488 XDLLBAXGHGFXDI-UHFFFAOYSA-N 382.258 2.581 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 575405737 ZOMZFMGJXAQAFL-MRXNPFEDSA-N 383.448 2.785 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532554 SYOZKHPUYKAYON-UHFFFAOYSA-N 398.385 2.774 0 40 GFAB Cn1cnnc1CNC(=O)Cc1csc(-c2cc(Br)cs2)n1 54710479 VWZWSVCVMPTGRK-UHFFFAOYSA-N 398.311 2.622 0 40 GFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NC1(C)Cc2ccccc2C1 92613292 ONNJVGVAOXVFNR-UHFFFAOYSA-N 388.471 2.747 0 40 GFAB CCn1ncc(C(=O)N2CCC[C@H](c3ncncc3-c3cc(C)no3)C2)c1C 12118452 YZJLSPGXMKIFOJ-HNNXBMFYSA-N 380.452 2.985 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c1C 12767301 OFOBRJIAGMZXRR-MRXNPFEDSA-N 395.459 2.562 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCn2c(C)csc2=O)c(C)c1 16497419 FMSGMOBUFUNTNJ-UHFFFAOYSA-N 375.494 2.631 0 40 GFAB COc1ccc(CCCNC(=O)CN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 19460817 XBIRYTGPYZHISR-VGSWGCGISA-N 386.492 2.555 0 40 GFAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)cc2n1 19522370 ONRQXHFRGUSNQZ-FZMZJTMJSA-N 382.386 2.805 0 40 GFAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)NC(C)C)C2)on1 12121275 HXYUGLVRZVWYGJ-MRXNPFEDSA-N 396.495 2.705 0 40 GFAB COc1ccc2c(c1)CN(C(C)=O)C[C@@]1(CCCN(C[C@@H]3CCOC3)CC1)O2 12366039 YYIHRCSCLJKSPA-AVRDEDQJSA-N 388.508 2.697 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2CO)C1 585164662 DBANJPGUKCBLRH-UTKZUKDTSA-N 390.480 2.875 0 40 GFAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 5677647 CDTDMTCQWQYQQN-JTQLQIEISA-N 385.424 2.829 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1C 10515585 TYDMKRGTFRWRAM-UHFFFAOYSA-N 376.434 2.504 0 40 GFAB COc1nc(N2CCC(N(C)c3ccccn3)CC2)ncc1Br 1888866337 FJFHZZZMSORLCU-UHFFFAOYSA-N 378.274 2.748 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3cccs3)n2)cc1 11738550 VNEYDMYUCLIYEQ-UHFFFAOYSA-N 389.502 2.649 0 40 GFAB CCn1nnc2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)ncnc21 13532051 FTNPIKAHNHHSDN-UHFFFAOYSA-N 396.520 2.815 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1cccc(C)n1)C(F)(F)F 19944194 JGZSTIALOXNOCA-INIZCTEOSA-N 385.317 2.803 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cccc(C)c3C)cn2)c1N 21775022 NTAWCKSHWVIKAY-UHFFFAOYSA-N 379.420 2.895 0 40 GFAB COC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 22851342 RTVQIILSEFKREF-GOSISDBHSA-N 383.448 2.635 0 40 GFAB Cc1ccccc1NC(=O)Cn1cnc2c(cnn2Cc2ccccc2F)c1=O 36662968 YVNIDZYVSWMRHK-UHFFFAOYSA-N 391.406 2.728 0 40 GFAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc2nsnc2c1 36709491 ZQSOSJZZHSUUHK-UHFFFAOYSA-N 381.373 2.765 0 40 GFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccc3nsnc3c2)CC1 43978521 NTGBPMIULXRQSY-UHFFFAOYSA-N 375.498 2.641 0 40 GFAB O=C(CSc1nc2ccccc2s1)NCCn1cnc(C2CC2)cc1=O 575607628 NBERYIZYWKPMOY-UHFFFAOYSA-N 386.502 2.639 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254695 DJWGQRUQKJLHLL-HNNXBMFYSA-N 377.400 2.581 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]3Cc1ccccc1 4044105 FFCSIQDHUAMNEF-XRYLAESTSA-N 375.424 2.665 0 40 GFAB biogenic CC(C)[C@H](CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 36585456 CBHCHIRHODOGAA-IBGZPJMESA-N 381.428 2.972 0 40 GFAB biogenic COc1cc(C(=O)N(C)Cc2ccc(F)cc2)cc(Cl)c1OCC(N)=O 40033562 YSDHPLWZEAVQDF-UHFFFAOYSA-N 380.803 2.624 0 40 GFAB CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c1 40057564 AMYVTZAAIKPSRX-HUUCEWRRSA-N 396.509 2.785 0 40 GFAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 20050914 IBZSKNACDRVBDX-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB O=C(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 100193089 AKBAWETZQQHGRJ-JSGCOSHPSA-N 387.892 2.636 0 40 GFAB O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1nc2ccc(Cl)cc2s1 7921550 FJJIRDFSOJOKBU-SECBINFHSA-N 376.912 2.809 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(SC)nc1C 32740693 VMVVRJAASRIBIT-KRWDZBQOSA-N 387.505 2.648 0 40 GFAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)C(=O)c2ccco2)cc1 4326344 RCPCFGLABKSTLI-FTUNRGFVSA-N 392.411 2.700 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)CCc1ccc2ccccc2n1 21432104 ZVWQMJZBBHTCJC-UHFFFAOYSA-N 383.429 2.510 0 40 GFAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccc2c(c1)OCO2 6876254 MTYBHDNLDKCEKQ-UHFFFAOYSA-N 396.355 2.954 0 40 GFAB COc1ccccc1OC[C@@H](O)CSc1nc2c3ccccc3ncn2n1 32815358 PYIOUBOOMFCSSG-CYBMUJFWSA-N 382.445 2.818 0 40 GFAB O=C(CCN1CCC2(CC1)OCCO2)Nc1ccc(Br)cc1F 32825317 UUOPTABBSMWNAO-UHFFFAOYSA-N 387.249 2.756 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1C 10443075 GZZLXUQAAHTFII-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@H]1c1ccccc1 2726718 JHCDQCUYZYDOGB-QGZVFWFLSA-N 392.411 2.666 0 40 GFAB biogenic N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1[C@@H]1CCS(=O)(=O)C1 102718849 GDOYYKDXIFIXKT-GFCCVEGCSA-N 375.475 2.559 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 102593146 XFZPBVOYCCNMOD-GHSJJHLASA-N 378.472 2.803 0 40 GFAB CCCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc3ccccc23)CC1 23324301 YFUOIBOGXPTKKJ-SFHVURJKSA-N 396.535 2.701 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 104749885 LTDCNTFCOOIILU-SYAUCNOPSA-N 390.480 2.906 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)CCc2nc(-c3ccccc3)no2)c1 8031344 SNJGTRRFHLWIKY-UHFFFAOYSA-N 394.431 2.775 0 40 GFAB CCOc1cccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1 22389783 DXJOBWRZFTZXCA-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB COc1ccccc1OCCC(=O)OCC(=O)NCc1ccc(Cl)cc1 3278649 SAMBGVGSACZABE-UHFFFAOYSA-N 377.824 2.977 0 40 GFAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 57406469 RTNGLDDYBPJQIM-OAHLLOKOSA-N 395.459 2.767 0 40 GFAB C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 26754580 RMLOMFYSTGIFSC-CYBMUJFWSA-N 382.432 2.553 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)NCCOc2ccc3c(c2)OCO3)c1 48154256 MJEGNEWGTVELMB-ZDUSSCGKSA-N 388.420 2.872 0 40 GFAB O=C(O)c1ccc(CNC(=S)NC(=O)c2cccc(Br)c2)cc1 20151804 MZVFGALYTPNFBW-UHFFFAOYSA-N 393.262 2.952 0 40 GFAB COc1cc(C(=O)N(C)Cc2ccccc2C)cc(Cl)c1OCC(N)=O 58050561 OUDXNHZGPZQEIX-UHFFFAOYSA-N 376.840 2.793 0 40 GFAB CC1CCN(C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C2)CC1 78718451 NTMFIMZXUBLACN-MOPGFXCFSA-N 377.573 2.994 0 40 GFAB C1CO[C@H](Cn2c(SCc3nnc(C4CC4)o3)nnc2N2CCCC2)C1 58179499 WRFRLXRPADATHU-ZDUSSCGKSA-N 376.486 2.610 0 40 GFAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](C(=O)O)C(C)C)c12 2121723 VFSXWQGFFLXHDP-IBGZPJMESA-N 375.421 2.658 0 40 GFAB biogenic Cc1c(CCC(=O)NCC(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2107185 FSHXJWCVFXFKHX-UHFFFAOYSA-N 383.400 2.860 0 40 GFAB biogenic Cc1cc(=O)oc2cc(NC(=O)NC[C@H]([C@@H]3CCOC3)N3CCCC3)ccc12 58381197 OLPVDYOPQWIQJH-CRAIPNDOSA-N 385.464 2.724 0 40 GFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCNC(=O)COc1ccccc1 48274942 SQERYXJUQWEISS-MISYRCLQSA-N 390.524 2.775 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 409205192 GIVLDFIYMXWFQH-ZDUSSCGKSA-N 380.441 2.920 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCC(=O)Nc1ccc(F)c(F)c1 10745795 SIZCNPWIDAOYJQ-UHFFFAOYSA-N 396.777 2.687 0 40 GFAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 10846885 NUDFUDWYCDDUNI-FZMZJTMJSA-N 398.481 2.607 0 40 GFAB Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCCOc2ccccc2)n1 2380529 SXGYEVQSKYUQCU-UHFFFAOYSA-N 376.416 2.707 0 40 GFAB COc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)cc(OC)c1 2368973 FRPCHYRZGRYYNU-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB O=C(NC1=NCCS1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12776511 JYWWCTZTCCVDSO-UHFFFAOYSA-N 385.411 2.777 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)c1ccc2nnc(C(F)(F)F)n2n1 12932783 IIOQZHPBEZBBAL-LLVKDONJSA-N 379.342 2.809 0 40 GFAB COc1cc(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 12982344 LDTMXTUAGDEMBW-ZDUSSCGKSA-N 387.432 2.904 0 40 GFAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1-c1ccccc1 13004266 IUAIDPAECGZTSV-HXUWFJFHSA-N 392.480 2.955 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 13098132 VLXSQSINDQBIOU-YWZLYKJASA-N 390.915 2.920 0 40 GFAB CCn1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)n1 13321928 QRAJBFMGFYREJF-UHFFFAOYSA-N 388.493 2.568 0 40 GFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8216137 WEWOAVJIIDOUIH-UHFFFAOYSA-N 388.427 2.648 0 40 GFAB COc1cc(NC(=O)CSc2nc(Cl)nc3nc[nH]c23)cc(OC)c1 13553148 TZSPZMDRFIUIRN-UHFFFAOYSA-N 379.829 2.754 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccc(Cl)cc32)cc1 64986105 OZFJVALYGGQMLN-KRWDZBQOSA-N 394.880 2.693 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1 24885892 KKJBORZGXYUBRL-UHFFFAOYSA-N 384.461 2.556 0 40 GFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1(C)C 14249210 TWJPZHQDJCWSFN-RTBURBONSA-N 390.549 2.899 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 5439005 ZRFTXHMFOFPOHD-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CCCCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 6647826 IKUIIYYOTJCQRL-INIZCTEOSA-N 382.526 2.715 0 40 GFAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 4862803 UHIKKLARGMKIGC-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 6818671 DDYYNJBWDFEOBH-UHFFFAOYSA-N 385.489 2.863 0 40 GFAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2N)c1 6999964 QUVCLVXZZBVJIM-UHFFFAOYSA-N 392.463 2.985 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 18223373 YTVNUMKEYZCYFI-UHFFFAOYSA-N 378.432 2.517 0 40 GFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 7071245 KZGVVHDYWRXGIZ-GYBQTFJISA-N 393.417 2.528 0 40 GFAB CCOc1ncccc1CN[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 96013560 DEAWWIKOPVZFGN-FXAWDEMLSA-N 399.491 2.996 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 96437974 AWDONRVACDRWEQ-QZTJIDSGSA-N 399.491 2.672 0 40 GFAB CCCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 9512560 RVWDMCBCJWZJMQ-UHFFFAOYSA-N 385.489 2.829 0 40 GFAB C[C@@H]1C[S@@](=O)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 72308385 NNDXZSFKSUMAJE-YVORESIASA-N 388.537 2.561 0 40 GFAB C[C@@H](CCCN1C(=O)c2ccccc2C1=O)N[C@@H](C)c1nnc2n1CCCC2 95968698 DAACJUKNEOYBAJ-GJZGRUSLSA-N 381.480 2.730 0 40 GFAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2cccnc2)CC1 89396289 QRBVEDVKRAUPEW-QGZVFWFLSA-N 388.855 2.799 0 40 GFAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(S(N)(=O)=O)cc(C)c2C)c1 89585579 MHNBMSQPQFXQQV-IBGZPJMESA-N 388.489 2.937 0 40 GFAB CN1CCN(C(=O)NCc2csc(-c3ccccc3)n2)C[C@@H]1c1nccn1C 548672360 OEOGAHMLIOSBFN-QGZVFWFLSA-N 396.520 2.742 0 40 GFAB Nc1cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccc1 32603897 VJVPWRDSYJXSJI-UHFFFAOYSA-N 376.243 2.996 0 40 GFAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)cc1C 408991790 YTKVWJLKCFCDCP-OAQYLSRUSA-N 399.450 2.978 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)CCCc3ccccc3)ncn2)n1 35597294 JPCODAQFRGMLBE-UHFFFAOYSA-N 378.480 2.830 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636556 PNIFTKCUJFLWKJ-KRWDZBQOSA-N 398.406 2.913 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218481954 OPRHAAALUFSPQH-JENIJYKNSA-N 393.892 2.849 0 40 GFAB O=S(=O)(NCC[C@@H](O)c1cccs1)c1ccc(Br)s1 77115116 MZHNZBNWHHHHMN-MRVPVSSYSA-N 382.326 2.974 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NC[C@](C)(O)CCc3ccccc3)CC2=O)c1 61975817 MIECLOZNKCAHQR-WZONZLPQSA-N 396.487 2.548 0 40 GFAB C[C@@H](Cn1cc(Cl)cn1)NCC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619570 XWOWFNXAEIXTQL-ZDUSSCGKSA-N 395.854 2.502 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358782 AGIHXMRWGLBMJO-CQSZACIVSA-N 380.901 2.783 0 40 GFAB COCC(=O)N1CCC(c2cncc(Oc3ccc(NC(C)=O)cc3)n2)CC1 72362321 BMZDJSVSOYIWSR-UHFFFAOYSA-N 384.436 2.580 0 40 GFAB CCC1(CC)C[C@H](NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 225261199 YVXVBGSNMSLPSW-WBVHZDCISA-N 394.537 2.857 0 40 GFAB OC1(c2csc(CN3CCOCC3)n2)CCN(CC2CCCCC2)CC1 225467767 VHEXFKFGTGYTON-UHFFFAOYSA-N 379.570 2.839 0 40 GFAB biogenic,in-vitro CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223201220 AIAJNSANUVWTIU-FQEVSTJZSA-N 386.467 2.530 0 40 GFAB C[C@H](C(=O)NCCSC1CCCC1)N(c1ccccc1F)S(C)(=O)=O 225056230 LGCCNJOCECQPDR-CYBMUJFWSA-N 388.530 2.772 0 40 GFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CN2CCSC2=O)C1 48373979 FLRKUFYSMTYWDT-HOTGVXAUSA-N 375.538 2.950 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(OCc3nccn3C)cc2)c1 42763003 YXLMHMDLLFNMRJ-UHFFFAOYSA-N 392.459 2.984 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1c(F)cccc1F 223139000 SOGDWCJUMPYDMN-UHFFFAOYSA-N 398.431 2.795 0 40 GFAB CCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)CC1 253596651 UNHQNJAZFOTXBR-TUMZOIKCSA-N 396.535 2.529 0 40 GFAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3cccnc3)CCN21 253409120 ZMMNFAWLJXRRED-NRFANRHFSA-N 393.535 2.572 0 40 GFAB biogenic,in-vitro CC(=O)NCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257230714 GDPMYHKKNKEXJV-QFBILLFUSA-N 392.883 2.697 0 40 GFAB CC(C)Cc1ncc(-c2nccnc2[C@H]2CCCN2S(=O)(=O)N(C)C)s1 257222067 DRSZTSVIMZFIEX-CYBMUJFWSA-N 395.554 2.742 0 40 GFAB C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)NC2(CCCC2)C1=O 588014799 DIGTXFPIFXAAAO-SNVBAGLBSA-N 384.263 2.863 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCc3ccc4cccnc4c3)c(F)cc2N1 1670860877 HPDPYSDYUDUOKI-UHFFFAOYSA-N 385.420 2.737 0 40 GFAB COc1cc(CC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)ccn1 666311073 RGPWIZVWVXDEPA-UHFFFAOYSA-N 377.847 2.770 0 40 GFAB O=C(NCCc1ccc2c[nH]nc2c1)[C@@H]1CCCN1c1ncnc2sccc12 671879760 LWLLQFFUALTEKW-KRWDZBQOSA-N 392.488 2.895 0 40 GFAB O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 90614020 JOHVJTAEZRIOTM-ZDUSSCGKSA-N 392.390 2.568 0 40 GFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn([C@H]2CCOC2)c1 96123297 QFNFDTACKUWYLC-AWEZNQCLSA-N 375.372 2.805 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1 96382680 LQMLGXFZHHJDAV-UHFFFAOYSA-N 386.411 2.900 0 40 GFAB CCNC(=O)c1ccc(C)c(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 58140914 FDRKHCKCFWZAOU-UHFFFAOYSA-N 390.484 2.829 0 40 GFAB O=C(Cc1ccccc1F)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615158330 MBWGZYKSMFPCML-QFIPXVFZSA-N 382.435 2.793 0 40 GFAB Nc1cc(-c2cccs2)nn(CC(=O)N2CCC[C@@H](c3ccccc3)C2)c1=O 12146765 MWVWBNFCXPDONT-MRXNPFEDSA-N 394.500 2.960 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 15583052 MIHSAHLOIOIFMV-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)Cc1ccccc1 16188578 SAIMRKXRNATDER-UHFFFAOYSA-N 396.896 2.628 0 40 GFAB Cc1cccc(CN2CCCN(C(=O)[C@@H](C)Cn3cc(Cl)cn3)CC2)n1 19236262 CPQHGBQOMRTSBA-HNNXBMFYSA-N 375.904 2.611 0 40 GFAB Cc1cccc2c(C[C@H](C)NC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)c[nH]c12 19236591 AYFQAJMHVUMSSI-LPHOPBHVSA-N 390.487 2.967 0 40 GFAB C[C@H](Cn1cncn1)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19457846 VSABPDBOKWILET-APWZRJJASA-N 392.459 2.786 0 40 GFAB CCCn1ncc(C)c1NC(=O)Cn1nc2c(C)cc3ccccc3n2c1=O 19525920 UUPZOFHAJBUFNC-UHFFFAOYSA-N 378.436 2.511 0 40 GFAB CC(=O)N[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)C2(CCNCC2)C1 19704114 JCMSAIHJIDJCRE-LJQANCHMSA-N 393.487 2.952 0 40 GFAB COc1ccc(N2CCn3c(SCC(=O)N4CCCCCC4)nnc32)cc1 9574018 UMQWOEGDYJZXIB-UHFFFAOYSA-N 387.509 2.933 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CO1 575616357 KDSVXWZAJGAONI-OAQYLSRUSA-N 392.503 2.582 0 40 GFAB COC(=O)/C=C/c1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 28862507 DPDJZJNYBSGDHT-ZTLSKPKQSA-N 386.400 2.805 0 40 GFAB biogenic,in-vitro Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)NC[C@@H]1CCCO1 6590383 HTOROICVPMYXKD-LBPRGKRZSA-N 389.502 2.790 0 40 GFAB CCOc1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1OCC 7724866 BBOMZBLISDMYHT-HZPDHXFCSA-N 388.464 2.988 0 40 GFAB CN([C@@H]1CCN(c2ncnc(C3CC3)c2F)C1)S(=O)(=O)Cc1ccccc1 1888879480 MAORDBOJKJKNJM-MRXNPFEDSA-N 390.484 2.534 0 40 GFAB COc1cc2ncnc(N3CCC[C@@H](N(C)c4ncc(C)cn4)C3)c2cc1OC 1888917894 CJIGPAHGJKVUAH-OAHLLOKOSA-N 394.479 2.851 0 40 GFAB O=C(NCc1ccc(F)cc1)NCc1nnc2ccc(-c3cccs3)nn12 238949602 WTJCZRMLKALKGX-UHFFFAOYSA-N 382.424 2.991 0 40 GFAB Cc1ccncc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988688 DUBACFGRSNTOKC-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB O=C(CC(F)(F)F)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988943 OIUQXUKZDLBJRU-KRWDZBQOSA-N 388.361 2.893 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4)cnc32)c1C 4479195 OXZSYQSDNCURMP-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1 5251822 CERHNROFOYEKRJ-UHFFFAOYSA-N 385.427 2.949 0 40 GFAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3Cl)CC2=O)cc1 9037062 RTGFWDZIRXVBOB-CQSZACIVSA-N 378.881 2.980 0 40 GFAB Cc1ccc(Cn2c(=O)c3c(nc4oc(-c5ccccc5)cn43)n(C)c2=O)cc1 9789619 LETHJWPHFKZBIL-UHFFFAOYSA-N 386.411 2.965 0 40 GFAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CC(C)C 10233388 GXCNWGRTIFMUEK-DHZHZOJOSA-N 391.475 2.827 0 40 GFAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccco1 11612919 MAHRDROFBZKDFS-HNNXBMFYSA-N 380.441 2.668 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254696 DJWGQRUQKJLHLL-OAHLLOKOSA-N 377.400 2.581 0 40 GFAB CCOC(=O)CSc1nnc(NC(=O)NCCc2ccc(OC)cc2)s1 35590209 CQIKQAKQINAWEZ-UHFFFAOYSA-N 396.494 2.566 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)cc1 40072405 AJUWRLKWDZPFPU-OAHLLOKOSA-N 387.505 2.675 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)Cc1csc(NC(=O)C(C)C)n1 40140925 OYGNSSJMIMNAIE-UHFFFAOYSA-N 388.493 2.652 0 40 GFAB COc1ccc(CN(C)C(=O)Nc2cc(-n3cnnn3)ccc2C)cc1OC 40120617 BBAWUARFVDXXMT-UHFFFAOYSA-N 382.424 2.652 0 40 GFAB O=C(NCCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 32484217 BTEXLIMJPYMSHU-UHFFFAOYSA-N 385.895 2.804 0 40 GFAB CCC[C@@](C)(NC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1)C(=O)OC 59937175 NFMDZXZMNIOIEF-LJQANCHMSA-N 378.425 2.655 0 40 GFAB COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16033495 BYFSNJWRBJTKPX-MTQWCTHYSA-N 388.423 2.683 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157941 ATVUWTANLDAEFU-QZTJIDSGSA-N 392.496 2.544 0 40 GFAB CN(C)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 4859156 MEOVZXPGDWBOSL-UHFFFAOYSA-N 394.500 2.806 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)N1CCCC1 6970406 XACCPKWILBKCRU-GHRIWEEISA-N 385.489 2.946 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(F)c2)c(=O)[nH]c1=O 7795879 GWZLXRPNIGLIMZ-UHFFFAOYSA-N 390.459 2.751 0 40 GFAB CCOCCCNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 21777423 XPYWVEINWCVWSL-GFCCVEGCSA-N 383.539 2.766 0 40 GFAB CC(C)NC(=O)CN(C)CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 7796522 SPEBECCILQUKED-LJQANCHMSA-N 377.485 2.549 0 40 GFAB Oc1cccc([C@@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)c1 10298063 BIHNXCIYGPZKLB-QZEKMECESA-N 385.387 2.739 0 40 GFAB CC(C)[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399806 DDCHNIBFISVAIQ-HNNXBMFYSA-N 399.582 2.899 0 40 GFAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 8476192 MPFYSAGNHOPYSG-AWEZNQCLSA-N 376.478 2.702 0 40 GFAB C[C@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(=O)N1CCOCC1 22501684 HGLMQRASLHCQLE-HNNXBMFYSA-N 391.427 2.701 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 23154956 KWNJXIUJOOOECU-FQEVSTJZSA-N 388.439 2.646 0 40 GFAB Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCc1ccc(O)cc1 12406552 BKRBIUPIGBVHKG-UHFFFAOYSA-N 379.391 2.876 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(Cc2ccncc2)CC1 23995582 QCSYCYURUUYICY-HWKANZROSA-N 379.460 2.601 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cc1 24755913 BIBGHIMYWLKIIG-UHFFFAOYSA-N 380.365 2.877 0 40 GFAB COc1ccc(Cc2cnc(NC(=O)CSc3nc(C)n[nH]3)s2)cc1 24829860 YLGJCJXRNQDIHO-UHFFFAOYSA-N 375.479 2.900 0 40 GFAB CCc1nn2c(=O)cc(CN(CC)Cc3ccc(OC)c(OC)c3)nc2s1 25358231 RYQAWNDIJDJAJF-UHFFFAOYSA-N 388.493 2.753 0 40 GFAB COc1ccccc1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 35267922 QHSCQOAYDZPGRC-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCCN(C)c1ccccc1 21905127 KLCQOFAEMVYEDH-KRWDZBQOSA-N 389.521 2.774 0 40 GFAB O=C1CCCN1c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 12610240 BEVZHJUOGWNMNA-UHFFFAOYSA-N 387.461 2.785 0 40 GFAB COc1ccc(-c2noc(CCC(=O)Nc3ccnn3C[C@H]3CCOC3)n2)cc1 58007174 OUXUKBCIBSYVTC-CQSZACIVSA-N 397.435 2.550 0 40 GFAB O=C(NC(=S)N1CCCC[C@@H]1CO)c1cc(Br)ccc1Cl 3313739 WIUVDRQIWWUTIV-SNVBAGLBSA-N 391.718 2.964 0 40 GFAB Cc1ccc(-n2c(O)c([C@@H]3OCc4cnc(C)c(O)c43)c(=O)[nH]c2=S)cc1 2146253 BCQKLBNVTRWDCM-MRXNPFEDSA-N 383.429 2.938 0 40 GFAB biogenic CCOC(=O)c1sc2ncc(S(=O)(=O)NCc3ccccn3)cc2c1C 58310105 YQPAMOISOVUYTI-UHFFFAOYSA-N 391.474 2.655 0 40 GFAB C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 12764813 OFHZHHAGZBPLLI-LBPRGKRZSA-N 391.880 2.646 0 40 GFAB Cn1c(SCC(=O)Nc2ccccn2)nc2sc3c(c2c1=O)CCCC3 2361049 QKAHCOAXLAJLRQ-UHFFFAOYSA-N 386.502 3.000 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)N(C)C)cc1 8037406 FUKVAQIGZHSSLX-UZLBHIALSA-N 399.466 2.606 0 40 GFAB COc1cc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1OC(F)F 8057897 PGTWPYNCXJABIC-UHFFFAOYSA-N 385.388 2.978 0 40 GFAB C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 3472252 JULSMZVHCYPJHG-LBPRGKRZSA-N 395.367 2.748 0 40 GFAB CCc1ccc(-c2n[nH]c(SCC(=O)NC(=O)NCCC(C)C)n2)cc1 3551252 CDJJKQUBZNAYQH-UHFFFAOYSA-N 375.498 2.998 0 40 GFAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(F)cc1 3519474 QENCXVAYMCWLCT-UHFFFAOYSA-N 397.435 2.699 0 40 GFAB C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(C(=O)C2CC2)CC1 12985199 FLSOJGDMEZAWPT-GFCCVEGCSA-N 383.464 2.883 0 40 GFAB COc1ccc(-c2noc(Cn3nc(-c4cccs4)oc3=O)n2)c(OC)c1 8155986 PHUGIBRESCUBIU-UHFFFAOYSA-N 386.389 2.680 0 40 GFAB COC(=O)/C=C/c1ccc(OS(=O)(=O)c2cc(F)ccc2F)c(OC)c1 13004234 RPSOGAHDIQFMJM-XBXARRHUSA-N 384.356 2.927 0 40 GFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1 408618562 DJYACABMLSXTDL-UHFFFAOYSA-N 385.489 2.967 0 40 GFAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2)N[C@H]1c1ccccc1 13510610 NTLGEBKONYGIQW-YRPNKDGESA-N 395.455 3.000 0 40 GFAB Cc1nn(-c2ccccc2)c2c1cc1c(=O)[nH]c(=O)nc-1n2-c1ccc(F)cc1 5051068 KHNGHJNIPNMDCX-UHFFFAOYSA-N 387.374 2.812 0 40 GFAB COC(=O)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O 13731712 FSCDQNDJHWDPOT-UHFFFAOYSA-N 381.413 2.928 0 40 GFAB CCN1C[C@H](CN(C)C(=O)c2ccc(-n3cncn3)cc2)Oc2ccccc21 65533365 MMUKNKQZJCPTDR-SFHVURJKSA-N 377.448 2.627 0 40 GFAB CCOc1cc2c(c3[nH]c(C(=O)N4CCN(C(=O)C(C)C)CC4)cc13)O[C@@H](C)C2 65521120 RGKMWOPWKGVBQH-AWEZNQCLSA-N 399.491 2.830 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 5388217 XLUPIGKPRWEXKB-UHFFFAOYSA-N 377.400 2.726 0 40 GFAB COc1cc(/C=C2\CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc(OC)c1O 70666413 OQUJIMQZRWCGIH-RIYZIHGNSA-N 396.399 2.715 0 40 GFAB biogenic O=C1CCCC[C@H]1Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1 7067809 MSLUKIUBQZRTSV-MRXNPFEDSA-N 376.457 2.847 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1C 15611355 GJFMGELINFXPNG-SFHVURJKSA-N 388.489 2.968 0 40 GFAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)cc(=O)c2c1 15859912 WQJSEYRUJMURBN-QGZVFWFLSA-N 396.443 2.806 0 40 GFAB Nc1c(Cl)cccc1C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 18405774 OJTQBAFZAUNRCC-UHFFFAOYSA-N 391.830 2.567 0 40 GFAB O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H](O)c1cc2ccccc2s1 79096857 IQKUBMVFHMBIHF-MRXNPFEDSA-N 386.448 2.549 0 40 GFAB CC/C(NN1CCCCCC1)=C1/C(=O)N=C(O)N(c2ccc(OC)cc2)C1=O 9014072 BHQGXWFDMCTBLS-WUKNDPDISA-N 386.452 2.527 0 40 GFAB NC(=O)NCCCCC(=O)NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 96011876 FOSCRMKXJRMQAV-IBGZPJMESA-N 394.475 2.801 0 40 GFAB Cn1cc(C(=O)Nc2cc(Br)c(=O)n(C)c2)c(C(F)(F)F)c1 95469372 JKRRAUNKBLUACS-UHFFFAOYSA-N 378.148 2.757 0 40 GFAB C[C@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)n1c(=O)oc2ccccc21 9958995 GYWQHXAQFARBCF-GFCCVEGCSA-N 390.403 2.783 0 40 GFAB CN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 31701817 COCVQUNEUGABGK-UHFFFAOYSA-N 397.294 2.733 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)c1ccccc1 524734341 UPENQZYRZRRVSW-LJQANCHMSA-N 393.495 2.653 0 40 GFAB O=C(NCCCN1CCOCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12 38280055 AGTNXIMWQPTWTC-UHFFFAOYSA-N 391.471 2.628 0 40 GFAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2Cl)C3)C[C@@H](C)O1 72347252 AHUSHPGMICLJSZ-OKILXGFUSA-N 388.899 2.595 0 40 GFAB Cc1cnc2n(c1=O)[C@@H](CC(=O)NCc1cc(-c3cccs3)on1)CS2 36662385 OSSFGFDNUPMVDG-LBPRGKRZSA-N 388.474 2.622 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1 224147889 FQZUIYWYGCGOCE-UHFFFAOYSA-N 396.459 2.870 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1OC 223877964 RAWKVGUHRHAGSB-UHFFFAOYSA-N 390.505 2.999 0 40 GFAB CNc1cc(-n2nc(C)cc2NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)ncn1 569552725 LSSOAEQGHGHCGU-ZDUSSCGKSA-N 380.456 2.741 0 40 GFAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)ccc21 225714939 YAMIEEYEDDEQSQ-UHFFFAOYSA-N 391.474 2.544 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)COc2cc(Cl)ccc21 44841733 MPHOHSRVIFLTSE-UHFFFAOYSA-N 388.807 2.881 0 40 GFAB CN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(Br)cc2)n1 45342569 VXIGOQGMBOHPIU-UHFFFAOYSA-N 392.282 2.823 0 40 GFAB C[C@H](C(=O)N1CCCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220311898 ACZQPAPOICEXFF-CQSZACIVSA-N 376.453 2.960 0 40 GFAB CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 96076235 YWUQAUHYHWUCHU-HXUWFJFHSA-N 390.915 2.951 0 40 GFAB Cc1cc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)cc(C)n1 247870951 KYJNSBIKFQUMCB-GOSISDBHSA-N 376.522 2.842 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@@H]2[C@H]4CCCC[C@H]42)C3)CC1 247970310 YHPQWKUBOZHWSY-RUYXUALKSA-N 382.508 2.523 0 40 GFAB Cc1cc(CN2CCC[C@@H](c3nccnc3-c3ncc[nH]3)C2)cc(C(=O)O)c1O 257330899 XQMACIDOVNSQTD-OAHLLOKOSA-N 393.447 2.959 0 40 GFAB O=C(NCC(=O)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1)c1ccccc1 257265034 LWZXHRWUXUKBLR-SCTDSRPQSA-N 382.435 2.872 0 40 GFAB Cc1cccc(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C 585094301 GRNUDYXQBHDIGF-OAHLLOKOSA-N 386.945 2.912 0 40 GFAB O=C([C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1)N1CCOc2ccccc2C1 585139742 RTKRMZBJKCITMI-SIKLNZKXSA-N 391.471 2.945 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCn2c(C)nc3ccccc32)[C@H]1O 257208351 BLUSDVXPEQPPEB-YFVAEKQCSA-N 381.480 2.511 0 40 GFAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)NCc2nc3cc(C)ccc3n2C)cn1 623134343 AIVCKBLVMVEMAU-QRWLVFNGSA-N 395.463 2.615 0 40 GFAB O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 630327383 FJUGRGVYTCQSBX-BPQIPLTHSA-N 385.464 2.741 0 40 GFAB O=C(O)[C@H]1CN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CCO1 669505550 INFJDUDIEOWYIN-DZGCQCFKSA-N 387.461 2.733 0 40 GFAB Cn1c([C@H]2CCCN2C(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 1615155178 VINRUBAGOMUMQD-QGZVFWFLSA-N 379.468 2.583 0 40 GFAB O=C(/C=C/c1ccccc1F)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390829731 GEKPMSFFPOXLGX-BQYQJAHWSA-N 394.406 2.513 0 40 GFAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575426312 QXPLXKJKLLWUIR-OCCSQVGLSA-N 379.931 2.625 0 40 GFAB C[C@]1(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccc5c(c4)CCC=C5)C[C@@H]32)C[C@H]2CC[C@H]1O2 1615057425 CNXKPPCPFWEUCD-DDXSZNEGSA-N 392.499 2.790 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 5351530 RKJZNKOUCZLKJL-VNQPRFMTSA-N 384.542 2.703 0 40 GFAB CCc1cc2c(=O)n(CCCOC)c(SCC(=O)NCC(C)C)nc2s1 5571817 HAVRDUBMVJGMQS-UHFFFAOYSA-N 397.566 2.921 0 40 GFAB Cc1cnc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cn1 5636877 AHGWXNGJIYBDET-UHFFFAOYSA-N 375.384 2.812 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 12652296 LSVKXQWNNADSPJ-UHFFFAOYSA-N 387.461 2.881 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cc(Cl)ccc1F 12739488 SFIOEJYREBVWPN-UHFFFAOYSA-N 381.816 2.546 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)ncc2C1 19018223 SBVBSTYSVVDOEN-FQEVSTJZSA-N 378.476 2.678 0 40 GFAB COCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 19212386 QXZIEBHMQSILLQ-HSZRJFAPSA-N 380.488 2.945 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1ncc3c(n1)CCNC3)n2C 19221213 DCQDDINRGKPDJD-IBGZPJMESA-N 375.476 2.900 0 40 GFAB COc1ccc(OC)c([C@@H](O)CN2CCCN(Cc3ncccc3C)CC2)c1 19237799 HOWGOWZXHILUSZ-NRFANRHFSA-N 385.508 2.649 0 40 GFAB Cc1cnc(C(=O)N2CCC(Cc3cc(N4CCCC4)nc(C)n3)CC2)cn1 19758499 NSIAGAFTNCJEOK-UHFFFAOYSA-N 380.496 2.579 0 40 GFAB CCN(c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1)S(C)(=O)=O 19937769 YVYXMMMBISQUOY-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cc(C(C)(C)C)n[nH]5)C[C@H]4C3)n1)CCC2 1888879146 VZNGPEGAMCQAQN-GASCZTMLSA-N 394.523 2.503 0 40 GFAB C[C@H](C(=O)N1CCC(c2nnc3ccc(C(C)(C)C)nn23)CC1)n1cccn1 1888879539 MOHSQOHXQMEKMR-CQSZACIVSA-N 381.484 2.586 0 40 GFAB CCc1ncnc(N(C)CC2CCN(c3c(C)c(C)nc4ncnn34)CC2)c1F 1888901306 HSHGZRMRJFHRHZ-UHFFFAOYSA-N 398.490 2.585 0 40 GFAB O=C(NCC1(N2CCOCC2)CCSCC1)c1nc2ccccc2s1 1776008502 IMRFJOKZIVNPLW-UHFFFAOYSA-N 377.535 2.624 0 40 GFAB CC(C)n1ccc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)n1 2037985644 QZGAJRMCZIYHPT-JOCHJYFZSA-N 396.491 2.892 0 40 GFAB CCc1ccc(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCc3cccnc3)C2)cn1 1565548071 WZOOYRFMMZNBOW-NZQKXSOJSA-N 394.519 2.650 0 40 GFAB CC[C@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 4274416 CTAGJANMGIOBLK-LBPRGKRZSA-N 390.494 2.852 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCc2ccccc21 4377051 ZFHZTVJJGURDNW-UHFFFAOYSA-N 388.456 2.868 0 40 GFAB CCCc1cc(=O)n(CC(=O)N2CCc3ccccc32)c(-n2nc(C)cc2C)n1 5254685 HOJGWSNPAWTWBF-UHFFFAOYSA-N 391.475 2.588 0 40 GFAB CCCN1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C(N)=O)C1 5268249 OUNRCRRHFMLCCV-UHFFFAOYSA-N 375.469 2.935 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)c2cc(C(C)=O)n3ccccc23)c1 10272889 FLSICIBVIKLXNI-UHFFFAOYSA-N 396.399 2.955 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n(C(C)C)n1 11695212 NHXOJSCNKQUNDP-MRXNPFEDSA-N 390.509 2.812 0 40 GFAB O=C(COc1ccc(Cl)cc1)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714401 RFVOYTWIUYVJKQ-UHFFFAOYSA-N 388.851 2.759 0 40 GFAB COc1ccccc1NC(=O)C(=O)NCc1ccc([C@@H](O)c2ccco2)s1 206687277 AOTMSGCCDZHPHY-KRWDZBQOSA-N 386.429 2.686 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccs3)CC2)cc1 38946995 YUISUKCJJFCDPP-ZWKOTPCHSA-N 384.501 2.774 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]nc1-c1ccc(F)cc1 40071825 HKXPEWHRNWGLCE-HXUWFJFHSA-N 393.422 2.553 0 40 GFAB CC[C@H](C)n1c(=S)[nH]c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20113321 ZFASTAFOEXHEKB-MGPLVRAMSA-N 391.493 2.835 0 40 GFAB biogenic Cc1cc2c(=O)n(C)c(=O)n(CC(=O)c3ccc(Br)cc3)c2s1 32106737 PUHSJZWGUFWNHM-UHFFFAOYSA-N 393.262 2.716 0 40 GFAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cccc(F)c1 45970156 ZGWQIRHZYFUGMA-UHFFFAOYSA-N 387.440 2.621 0 40 GFAB Cc1cc(N2CCOCC2)ccc1NC(=O)CCn1ncc(=O)c2ccccc21 46293130 DFULPQVINUGRPN-UHFFFAOYSA-N 392.459 2.570 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1 7979537 HXXLBLKNUHWJNQ-UHFFFAOYSA-N 390.436 2.520 0 40 GFAB COc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1379208 NSZAKPBEZNMGBL-MRXNPFEDSA-N 378.425 2.626 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)N1CCCC1 32674722 MLRYPQAQTCGVKG-HXUWFJFHSA-N 391.475 2.843 0 40 GFAB Cc1c(NC(=O)COC(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 3385910 UMVCDSCQWXFNQP-UHFFFAOYSA-N 399.834 2.933 0 40 GFAB O=C(c1cc(F)ccc1Br)N1CCN(C(=O)N2CCCC2)CC1 32752788 LXJZKWWEJQUSEY-UHFFFAOYSA-N 384.249 2.562 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(SC)nc1C 32740692 VMVVRJAASRIBIT-QGZVFWFLSA-N 387.505 2.648 0 40 GFAB Cc1ccc(-c2noc(COC(=O)[C@@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 102240520 FXNBATNSPSMXCB-BMFZPTHFSA-N 397.431 2.652 0 40 GFAB O=C(NCCN(CCO)C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6926292 ZSCITAHIFLMPTB-UHFFFAOYSA-N 381.259 2.858 0 40 GFAB COc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 102644080 CZSLGTUARNEZAB-OAHLLOKOSA-N 387.395 2.631 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C[C@@H](C)O1 108981160 NKMHXWGDJORQIH-ZHEXZJMTSA-N 392.521 2.859 0 40 GFAB CSCc1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)o1 29917841 FGIKLJZRSZYIGB-UHFFFAOYSA-N 382.486 2.513 0 40 GFAB O=C(c1nc(-c2ccccn2)no1)N1CCC(O)(c2ccc(Cl)cc2)CC1 12390719 NSFGBTLVVVBGJD-UHFFFAOYSA-N 384.823 2.909 0 40 GFAB COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1OC 22465742 AJVDIYZCRNCUAW-OAHLLOKOSA-N 376.478 2.569 0 40 GFAB COc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)cc1OC 2917419 MIAQMHKFMIHOSN-UHFFFAOYSA-N 392.415 2.764 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(c3ccc(F)cc3)=NC2=N1 940734 WRTLZQLTZQQXIB-INIZCTEOSA-N 383.814 2.916 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)o1 23682671 GLWGZPUUEZKCFX-OKILXGFUSA-N 378.450 2.638 0 40 GFAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1cccs1 23731357 QWIYZTCMQSTYJS-UHFFFAOYSA-N 384.501 2.990 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC(F)F 24926045 BIGADBIRMVIQAA-DRZSPHRISA-N 394.374 2.575 0 40 GFAB Cc1sc(CNC(=O)CN2CSCC2=O)nc1-c1ccc(Cl)cc1 55427093 NNGSYJBDGIMVDK-UHFFFAOYSA-N 381.910 2.921 0 40 GFAB O=S(=O)(NCCc1nc2ccccc2[nH]1)c1ccc(Br)cc1 1424656 CHHNFUWNKNRISR-UHFFFAOYSA-N 380.267 2.846 0 40 GFAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10233470 IMNDSDYIXJBWSZ-HNNXBMFYSA-N 379.464 2.723 0 40 GFAB COc1ccccc1N(CCCC(=O)NCc1ccc(C)cc1)S(C)(=O)=O 113967859 IAEHTNDAHWIIBW-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB COc1ccccc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22382979 SFCXOPAFIAJRMP-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(C(F)(F)F)cc1 8133416 DXMZTZKVUYYBQP-UHFFFAOYSA-N 399.332 2.985 0 40 GFAB CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3C[C@@]21O 12662073 AQWWGXGRAWGACC-ZNUBSMLTSA-N 377.481 2.647 0 40 GFAB biogenic Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)sc1C(=O)O 58190731 FLWDATXJAPTTAY-UHFFFAOYSA-N 377.346 2.877 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(C(N)=O)c1C 2103118 IVJGZBNCANMHKQ-ZDUSSCGKSA-N 379.265 2.855 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O 28019190 UYBDOWVFJHNQDD-SFHVURJKSA-N 375.787 2.981 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)c1 2382341 KAWLZMUGHJTMMB-UHFFFAOYSA-N 382.493 2.764 0 40 GFAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1nc2ncccn2n1 36618766 WMTMHXAEDMZGII-UHFFFAOYSA-N 381.827 2.892 0 40 GFAB O=C(N[C@]1(C(F)(F)F)N=C2SCCN2C1=O)c1cccc(C(F)(F)F)c1 2491981 DMRATLRBZVDGBY-LBPRGKRZSA-N 397.300 2.639 0 40 GFAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)c(F)c1 12797159 ADFCPMBNEBXUOI-MRXNPFEDSA-N 383.467 2.855 0 40 GFAB Cc1cccc(N2CCN(CCNC(=O)CCn3cnc4ccccc43)CC2)c1 29124720 COSKNTUZJBHXAD-UHFFFAOYSA-N 391.519 2.673 0 40 GFAB O=C(Nc1cccc(Cn2ccnc2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48303294 LGTBRPFDGDBTCL-GOSISDBHSA-N 381.480 2.798 0 40 GFAB Cc1ccc(-c2csc(=O)n2CC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 12826116 JTHICNLYXROEOZ-UHFFFAOYSA-N 383.473 2.507 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc21 3499258 OZXWMEUNAWCMCN-UHFFFAOYSA-N 384.461 2.512 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](c1ccco1)N1CCCCC1 12975090 STAYWVNJZLWXFO-KRWDZBQOSA-N 383.448 2.921 0 40 GFAB Cc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)n1 12987154 PJUXPXCOMRFEGF-UHFFFAOYSA-N 398.488 2.552 0 40 GFAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 12912475 UDPPOIHETTVBPD-HNNXBMFYSA-N 399.466 2.887 0 40 GFAB CC(C)CN1C(=O)CC(=O)N[C@H]1SCC(=O)Nc1ccc(C(C)C)cc1 12922605 WTYRQVUPCFHTAX-LJQANCHMSA-N 377.510 2.770 0 40 GFAB CCCCc1ccc(NC(=O)COC(=O)[C@@]23CCC(=O)N2CCS3)cc1 12992348 WGWMUEOLUFJVNT-IBGZPJMESA-N 376.478 2.576 0 40 GFAB COC(=O)c1cc(S(N)(=O)=O)ccc1N[C@@H]1CCSc2c(F)cccc21 70012076 WKMIODRVMAANTA-OAHLLOKOSA-N 396.465 2.909 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)cc1 408974972 GZROWSSGSUUXLY-UHFFFAOYSA-N 388.383 2.928 0 40 GFAB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1cccc(Br)c1 20151807 ROQNKUIWWVWHIJ-UHFFFAOYSA-N 395.234 2.980 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 6240802 UPDWVTPFWHVYTN-HNNXBMFYSA-N 381.480 2.875 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2nccnc2N)c2ccccc2)c1 14059571 KMAASNPLUSUWAW-GOSISDBHSA-N 390.399 2.798 0 40 GFAB CCC(=O)Nc1ccc(-c2csc(NC(=O)CN3CSCC3=O)n2)cc1 14076861 RJDLOCFKUYGTSV-UHFFFAOYSA-N 390.490 2.630 0 40 GFAB CNC(=O)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 14244776 SEFZFFNFEJBGBA-UHFFFAOYSA-N 376.869 2.584 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Cl)c1Cl 18179218 GECCKMOXTQEGGM-ZDUSSCGKSA-N 375.277 2.976 0 40 GFAB Cc1ccccc1-n1cnnc1SCC(=O)c1ccc(S(C)(=O)=O)cc1 6821318 WLPNSSVFPGRFPL-UHFFFAOYSA-N 387.486 2.954 0 40 GFAB CCOC(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907473 ZFOVZZXFQPABBQ-UHFFFAOYSA-N 389.458 2.812 0 40 GFAB CCSc1nnc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)s1 6907954 AGANCJRHYKZRGP-UHFFFAOYSA-N 375.479 2.848 0 40 GFAB CCOC(=O)c1cnn(-c2cc(C)nc3c(C)c(-c4ccccc4)nn23)c1N 15835620 BMWYTVQXBICQPG-UHFFFAOYSA-N 376.420 2.958 0 40 GFAB CCOC(=O)C[C@H](c1ccccc1OC(C)C)c1oc(CO)cc(=O)c1O 71279142 KAORVYRVRJEKBM-OAHLLOKOSA-N 376.405 2.710 0 40 GFAB O=C(NCCc1cccs1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582789 JBKYQZIUVJKPMM-UHFFFAOYSA-N 382.489 2.560 0 40 GFAB COc1cc2ncn(CC(=O)Nc3cccc4[nH]ccc34)c(=O)c2cc1OC 96113832 RSFVLDBVGUACQT-UHFFFAOYSA-N 378.388 2.534 0 40 GFAB biogenic COc1ccc(S(=O)(=O)NCCc2nc3cc(F)ccc3s2)cc1OC 83960522 UWBHANBOKODEEV-UHFFFAOYSA-N 396.465 2.974 0 40 GFAB COc1ccc(OC)c(CNC(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)c1 72314261 PAUPROAOYANLET-UHFFFAOYSA-N 382.420 2.640 0 40 GFAB O=C(Nc1ccncc1O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 95394590 JDRJNPUOFOILPA-SNVBAGLBSA-N 376.210 2.541 0 40 GFAB COc1cccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2S(C)(=O)=O)c1 95945304 BKKYJIYZPAYVBY-SFHVURJKSA-N 390.461 2.823 0 40 GFAB O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 89826446 POSUCZPNOVPKJY-INIZCTEOSA-N 387.802 2.567 0 40 GFAB C[C@H]1C[C@@H](NC(=O)c2ccc3oc(N(C)C)nc3c2)C(=O)N1c1ccccc1 89920121 NUYBNGDGXJWWLC-SUMWQHHRSA-N 378.432 2.818 0 40 GFAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408608814 SKOCHYLOQIIVKQ-UHFFFAOYSA-N 382.526 2.792 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)N1CCCCCC1 408589734 FFZXPHNCBLQKBB-UHFFFAOYSA-N 388.493 2.968 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408619704 IPJIQLWZXCPWTB-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)cc2)cc1 408610180 VDUVEINSESKDMP-CQSZACIVSA-N 392.477 2.790 0 40 GFAB CN1C(=O)C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 72242135 YYCOIFNJFYRHME-IRLDBZIGSA-N 395.478 2.690 0 40 GFAB COc1nn(C)cc1C(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 38486327 DQVIOZMMYCJYLK-UHFFFAOYSA-N 378.436 2.738 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCCCCC1 71334315 UCMGNZSGFFQLOP-QGZVFWFLSA-N 387.528 2.531 0 40 GFAB CCn1nc(C)c(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1C 72241266 GYIONLHHURNEIA-MSOLQXFVSA-N 390.871 2.710 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21 45808973 QDBSNSDIZVLHCY-UHFFFAOYSA-N 388.489 2.861 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCc1nnc2c(-c3nc(C)no3)cccn12 225749474 ACONWLYAYAOURO-UHFFFAOYSA-N 398.810 2.680 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C 40086977 JWSWHCQRWUJTFK-IBGZPJMESA-N 382.508 2.927 0 40 GFAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccc(F)cc2F)CC1 47533422 GIUVICBCJRGTMH-UHFFFAOYSA-N 383.439 2.637 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1ccccc1 223980969 AKWMEDFPEHGXHM-UHFFFAOYSA-N 390.505 2.537 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(F)cc1 44934314 WVFCPKVCWJHAGY-FZKQIMNGSA-N 392.452 2.620 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NC2CC2)cc1 223399033 KASZMHDJBBARJA-UHFFFAOYSA-N 390.530 2.878 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 48374719 FAOPCYJROAKQRG-UHFFFAOYSA-N 397.431 2.552 0 40 GFAB CCSc1nnc(NC(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)s1 49343566 DZYDPBKZQYXTFO-UHFFFAOYSA-N 387.490 2.821 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(F)cc1 222937994 RIUIJZDKBSCUKE-SFHVURJKSA-N 394.468 2.695 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(F)ccc1NC(=O)N1CCCC1 49543891 VLUITWDAFAHKFI-INIZCTEOSA-N 379.432 2.771 0 40 GFAB C[C@H](NC(=O)N1CCC2(C1)Oc1ccccc1O2)c1ccc(-n2ccnn2)cc1 572557274 OUTFTZDXAICJFB-HNNXBMFYSA-N 391.431 2.911 0 40 GFAB COc1cccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 222479578 MTRBPWGTQQSKMD-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 223638583 KMDBCKJJPPTCBF-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB O=S(=O)(c1ccc(F)cc1F)N1CC(c2nc(Cc3cccs3)no2)C1 77190799 DGCFZPKYLFYVLE-UHFFFAOYSA-N 397.428 2.788 0 40 GFAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)n1-c1cccnc1 223610943 VEPSYNJNVIBZDW-VQTJNVASSA-N 393.516 2.931 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1F 96226885 JBQATZFCYDKNRE-VQIMIIECSA-N 389.452 2.569 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)c2ccc3ncccc3c2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257207392 BHNRRWITSNCIKU-WRHDZBKDSA-N 395.503 2.895 0 40 GFAB Cc1ccc(S(=O)(=O)N(SC2CCCCC2)c2nc(N)nc(N)n2)cc1 255189454 PYEGDDQZRXCEEI-UHFFFAOYSA-N 394.526 2.521 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)s2)c1 260769735 QSMIBWWMGFMYFD-SGMGOOAPSA-N 392.506 2.566 0 40 GFAB O=C(CCc1ccncc1)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 630140717 NJFHMTBPRJTTTN-SFHVURJKSA-N 381.432 2.732 0 40 GFAB O=C(O)[C@@]1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C[C@H]2CC[C@H]1C2 663108643 ICCAZGMIMRLXCS-ZJBJCVSYSA-N 386.492 2.720 0 40 GFAB CC(C)c1nc(-c2ccccc2NC(=O)[C@@H](C)n2cnc3c(N)ncnc32)n[nH]1 667000785 ORHHSROQNJIRSA-LLVKDONJSA-N 391.439 2.517 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 90607817 VEUORAGKUGWSSI-UHFFFAOYSA-N 397.866 2.648 0 40 GFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(N2CCc3sccc3C2)C1 390828600 SECLJOJFESJRLW-UHFFFAOYSA-N 386.901 2.972 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 51451735 FUJZJBBLZXPKPK-ZDUSSCGKSA-N 396.403 2.951 0 40 GFAB O=S1(=O)N=C(N2CCN(c3nc4ccccc4s3)CC2)c2ccccc21 917079696 DAYXHRZFLPZURF-UHFFFAOYSA-N 384.486 2.567 0 40 GFAB O=C(NCc1c(F)cccc1Cl)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000170 BSTSFMYMNVHQLV-DYVFJYSZSA-N 391.830 2.763 0 40 GFAB COc1ccccc1/C=C\CN1CC[C@@H](c2cc(O)nc(N3CCOCC3)n2)C1 12365920 QLPVJGLMQLAYKJ-WLPBJKJWSA-N 396.491 2.530 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 13675346 RJJZMXCXBMZOEQ-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB Cc1ccc(-c2nc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cs2)cc1 14201110 KTQDVPNKXHERGZ-UHFFFAOYSA-N 387.486 2.696 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2c(Cl)cccc2Cl)n1 17080062 NOOZLSAWAGEZOY-XRGAULLZSA-N 392.242 2.905 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 19210825 SBIWDTKVUAMUSE-QGZVFWFLSA-N 394.519 2.946 0 40 GFAB CCC(=O)N1CCO[C@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19498991 LFGJIHZKYQOCLP-QHCPKHFHSA-N 380.488 2.992 0 40 GFAB COc1ccc(C2(C(=O)NCc3nnc(-c4cnccn4)o3)CCCC2)cc1 19553760 ALCJBNRQNSPRJQ-UHFFFAOYSA-N 379.420 2.663 0 40 GFAB CN(C)c1ccc2cc(C(=O)N3CCC(CCN4CCOCC4)CC3)[nH]c2c1 19656444 XIVYZQWMADPHNF-UHFFFAOYSA-N 384.524 2.808 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCc3nnc([C@H]4CCCN4)n3CC2)c1C 19706432 OZRFJQYPNLZBTD-QGZVFWFLSA-N 397.523 2.562 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 19747915 QAFRWFVFPWFNRO-HNNXBMFYSA-N 375.856 2.766 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940651 VSGRGYAYAWKYED-MRXNPFEDSA-N 383.814 2.916 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(C)ncc2-c2ccncc2)cc1 12088870 NYEFOVNGSRVSLO-UHFFFAOYSA-N 384.461 2.676 0 40 GFAB O=C(c1cc(F)ccc1F)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085239 FVAMLRDFUVMAJC-LBPRGKRZSA-N 375.404 2.985 0 40 GFAB C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C[C@@H](C)O1 257218575 DDPODEIIOUTDCW-KOJHEPPOSA-N 383.492 2.610 0 40 GFAB O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)c2ccco2)CC1 3229973 JHOKDKRJLBZKMI-UHFFFAOYSA-N 387.486 2.966 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)c(C)o1 1888843491 CVLNTKDPKXFQQA-STQMWFEESA-N 380.370 2.914 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3C2)nc2ccccc21 1888863699 WPSZQPVBFUUMII-QZTJIDSGSA-N 382.508 2.938 0 40 GFAB CSc1nc(C2CCOCC2)cc(N2CCN(Cc3cc(C)on3)CC2)n1 1888867123 UGUQMFQQHHPYIA-UHFFFAOYSA-N 389.525 2.711 0 40 GFAB COc1ccc(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cc1OC 2037983691 CJNIOLKTOALCFG-OAQYLSRUSA-N 376.497 2.696 0 40 GFAB Cc1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)n2nc(C)cc2n1 2087044664 KJYVKZZSEDYSIU-UHFFFAOYSA-N 386.463 2.525 0 40 GFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCC[C@H](C)C2)c2ccccc21 3007538 KMUBQAAEWUPFGT-INIZCTEOSA-N 383.492 2.951 0 40 GFAB CC1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)CC1 4941735 YKLDAJLJAYCQMY-UHFFFAOYSA-N 388.468 2.955 0 40 GFAB CN(C)c1ccc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)nn1 1775966161 VXRCDRHQSQPSIN-UHFFFAOYSA-N 398.511 2.561 0 40 GFAB Cc1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2)cc1 575618389 HILIBJCBMNGHNQ-UHFFFAOYSA-N 392.455 2.652 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 24085598 KXSXLIUGAPHMCR-UHFFFAOYSA-N 395.459 2.728 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCCN(c2cnccn2)C1 40089412 DOYXLXGCQIAXHF-KRWDZBQOSA-N 381.480 2.726 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 101259326 CVYVJWSAFJXQBI-WBVHZDCISA-N 398.802 2.809 0 40 GFAB COc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1 20794920 BGSJGZXDSFUSAJ-QFIPXVFZSA-N 393.443 2.807 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CNC3CCCC3)cc2)C1 902196 SCFDMWWQRNYHBU-HNNXBMFYSA-N 379.526 2.578 0 40 GFAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1379523 AKJRKAXVMYLILB-QGZVFWFLSA-N 396.871 2.949 0 40 GFAB CC(=O)OC1CN(c2ccccc2)CC(OC(C)=O)CN(c2ccccc2)C1 1718065 VFXSLPOLYMSYDQ-UHFFFAOYSA-N 382.460 2.877 0 40 GFAB COCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 2622857 HHPUROLLDLHTAU-UHFFFAOYSA-N 387.440 2.856 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1OC 32789160 ZWQMWJNOESXGIW-MRXNPFEDSA-N 380.448 2.695 0 40 GFAB COC(=O)C1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 29926265 ZLFQJKKNGHSBSC-UHFFFAOYSA-N 382.464 2.573 0 40 GFAB Cc1ccc2c(COC(=O)CCn3ncc(=O)c4ccccc43)cc(=O)oc2c1 32829169 KRABJCWZWJTYTP-UHFFFAOYSA-N 390.395 2.945 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)C1CCCCC1 6584594 YKXOPSUNYZENOM-UHFFFAOYSA-N 389.315 2.982 0 40 GFAB CCCCn1c(CSc2ncccn2)nc2cc(S(N)(=O)=O)ccc21 7738545 FRIYSEUKGAZBIN-UHFFFAOYSA-N 377.495 2.566 0 40 GFAB C[C@@H]1NC(C(=O)N[C@@H](c2ccccc2)c2ccccn2)=NN(c2ccccc2)C1=O 32966573 IIZFEXFIKFZMPN-JXFKEZNVSA-N 399.454 2.626 0 40 GFAB CC(C)[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccc2c(c1)OCCO2 52953113 NXLRFOSLVXCYJB-INIZCTEOSA-N 385.445 2.654 0 40 GFAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 33233560 WSDVGCBBPIBCOG-AWEZNQCLSA-N 375.444 2.990 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)c1occc1COc1ccccc1 47121959 PEXIGMMEHQBLDW-UHFFFAOYSA-N 375.388 2.764 0 40 GFAB O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)Nc1nccs1 12322416 NKQMEYZEOKCNDD-UHFFFAOYSA-N 389.868 2.984 0 40 GFAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(CCSc2ccccc2)CC1 47419043 VLFIFXNTARKYMJ-UHFFFAOYSA-N 393.516 2.817 0 40 GFAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(Cc3cccs3)CC2)C1=O 22848399 UJLSTPPGLHDVLD-SFHVURJKSA-N 383.517 2.815 0 40 GFAB Cc1nc(-c2cc(C)n(CC(=O)NCCNC(=O)c3ccco3)c2C)cs1 22901854 DRPREVDIAGDJTQ-UHFFFAOYSA-N 386.477 2.676 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 20016331 CPFKWWABKUYCII-CYBMUJFWSA-N 380.441 2.838 0 40 GFAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(C2CCC2)s1 61718531 OVVANBHTXFBPBK-ZDUSSCGKSA-N 385.449 2.925 0 40 GFAB CCc1ccccc1N1C(=O)C[C@H](Sc2nnc3nc(C)cc(C)n23)C1=O 102242840 GICPAZFHYNEGAV-HNNXBMFYSA-N 381.461 2.728 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1Cl 24062420 MCGXWJDPBOAWGH-QGZVFWFLSA-N 395.912 2.744 0 40 GFAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(Cl)c1 24715012 ULMPWBPMUYGYDC-GOSISDBHSA-N 380.897 2.692 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 24839434 LECNQWFBQBQDSL-UHFFFAOYSA-N 388.445 2.590 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N[C@H]1CCN(CC(F)(F)F)C1 106530885 KBEHLFOPQVPXOI-ZFWWWQNUSA-N 388.409 2.588 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 12595705 QZEUBNXFRZDXHG-UHFFFAOYSA-N 389.459 2.753 0 40 GFAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(C)nc2c1c(C)nn2C 25194499 JVYHQQRXAJZKIB-UHFFFAOYSA-N 378.432 2.965 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 25299897 MGEQWZROKXRZBL-HUUCEWRRSA-N 379.420 2.884 0 40 GFAB NS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 24928585 LCPWDYOBYQFQIL-DHZHZOJOSA-N 384.501 2.829 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1C(=O)C[C@@]2(CCSC2)C1=O 69159041 SZVFZPKSNMKEMJ-IIBYNOLFSA-N 391.533 2.914 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 58291410 DUEWAQGGUOUUID-INIZCTEOSA-N 375.494 2.635 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)Nc1cccnc1-n1cccn1)CC2 58295842 QROCFHLBNBDMJK-UHFFFAOYSA-N 379.420 2.875 0 40 GFAB NS(=O)(=O)Cc1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1 58247143 JOTVAHKQXBYSHA-UHFFFAOYSA-N 379.507 2.843 0 40 GFAB COc1cc(NC(=O)c2c(-n3cnnn3)sc(C)c2C)cc(OC)c1OC 44917292 ZELRZARGPQKNRE-UHFFFAOYSA-N 389.437 2.619 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 10302056 ODDLBFMWJRHMGO-UHFFFAOYSA-N 384.860 2.999 0 40 GFAB CCCCN(C)S(=O)(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1 48286748 SIQNECQRZNMATO-UHFFFAOYSA-N 379.482 2.949 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 45575025 GGRKXWPAOXSYTP-MRXNPFEDSA-N 393.487 2.983 0 40 GFAB Cc1nn(C)c2ncc(C(=O)O[C@H](C)C(=O)N(C)Cc3cccc(F)c3)cc12 36713402 SUGSOAWDZIHPLO-CYBMUJFWSA-N 384.411 2.620 0 40 GFAB C[C@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 12851776 PREVFKCKQYHTAN-ZDUSSCGKSA-N 390.484 2.883 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)NCc1ccccc1OC(F)F 12887861 AFNKMIPHLYDQEJ-UHFFFAOYSA-N 376.359 2.720 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)n1 12917077 HTWFLIOASTUXRB-SFHVURJKSA-N 392.503 2.907 0 40 GFAB O=C(NCc1nc(-c2ccsc2)no1)N[C@@H](CCc1ccccc1)C(=O)O 13239586 HJROBNFZQLGANX-AWEZNQCLSA-N 386.433 2.683 0 40 GFAB O=C(NCCCOc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13236427 UGXIWSBMTGLXOQ-LJQANCHMSA-N 381.432 2.932 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)NCc1ccco1 8389227 VMHWVNDWXCNVTG-GFCCVEGCSA-N 394.269 2.617 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2F)c1 22229765 IXDGICNAOFSFHP-QGZVFWFLSA-N 392.452 2.935 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C)nn(C(C)C)c1C)C2=O 65004151 PPRJQXFOXALYBW-UHFFFAOYSA-N 389.500 2.910 0 40 GFAB O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2nccnc2c1 5347619 REBQRMWFDAUGJS-UHFFFAOYSA-N 397.851 2.990 0 40 GFAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 4525212 AKYUKZQQOKGHDB-UHFFFAOYSA-N 392.452 2.606 0 40 GFAB NC(=O)Cc1csc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)n1 14226990 BKIGDYMSEMZLLM-UHFFFAOYSA-N 385.445 2.813 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)Cn2cnc3ccccc32)ccc1Cl 14737584 URRPANIGTIIKEB-UHFFFAOYSA-N 392.868 2.579 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3cc(Cl)ccc3Cl)nc21 6937255 PXOHBZHJPFTMEO-UHFFFAOYSA-N 394.214 2.865 0 40 GFAB CC(C)n1ncc2cc(NC(=O)NC[C@H]([C@@H]3CCOC3)N3CCCC3)cnc21 69922907 XETNWMFXHOFFCA-CRAIPNDOSA-N 386.500 2.635 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccnc1Cl 5925558 PAXXOCNIGKPJJZ-UHFFFAOYSA-N 389.824 2.578 0 40 GFAB CSc1nc2cc(C)n(CC(=O)NC3CCCC3)c2c(=O)n1CC(C)C 67319911 BKGFYQBSPZYKMH-UHFFFAOYSA-N 376.526 2.943 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 7312159 NMQVAVLOACFKIF-LBPRGKRZSA-N 392.452 2.766 0 40 GFAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(SCC(N)=O)s1 7300504 RDFAUABAQYYAMD-SNVBAGLBSA-N 382.536 2.852 0 40 GFAB CCn1ccnc1CN1CCN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1C 78806566 WZGYMAUPYYLCOA-MRXNPFEDSA-N 379.464 2.905 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1nccs1 9821785 KDNBHIUJAMZRFF-UHFFFAOYSA-N 380.476 2.582 0 40 GFAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CC1 408708907 MZZLJYFMPABILQ-UHFFFAOYSA-N 379.460 2.656 0 40 GFAB CCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)N(C)C1=S 409038175 UWOHYZQWBQANFY-XFFZJAGNSA-N 385.283 2.886 0 40 GFAB CC(=O)Nc1ccc(N/C(C)=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 9359347 PDYNICKVYRGXCV-QGOAFFKASA-N 392.415 2.922 0 40 GFAB O=S(=O)(NCCCOC1CCCCC1)c1ccc(Cl)c(-c2nnn[nH]2)c1 72276955 OSHJSJNYCLQKGI-UHFFFAOYSA-N 399.904 2.538 0 40 GFAB CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1 19874423 DNWDRRNPHSEMMW-UHFFFAOYSA-N 390.509 2.761 0 40 GFAB Cc1cc(C)nc(-n2[nH]c3ncc4c(c3c2=O)C[C@H](c2ccco2)CC4=O)n1 9576198 KAKYWPQCOSETAU-LBPRGKRZSA-N 375.388 2.626 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)cc1NS(C)(=O)=O 72289372 GIKQCDUIBGZPNQ-OAHLLOKOSA-N 375.494 2.826 0 40 GFAB O=C(Nc1ncccc1OCC1CCCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 95957847 DVVOYLTTZRXLHU-UHFFFAOYSA-N 394.431 2.823 0 40 GFAB CC(C)C[C@H](C(=O)NC[C@@H]1COC2(CCCCCC2)O1)N1CCCCC1=O 95991695 TWENRFRWRPEFCP-QZTJIDSGSA-N 380.529 2.996 0 40 GFAB CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(Cn2cc(Br)cn2)o1 95974567 LNJSOYMWPRISCK-RISCZKNCSA-N 382.258 2.520 0 40 GFAB CCCC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCS1(=O)=O 89953270 LNUKTMZCAUONPK-QGZVFWFLSA-N 393.509 2.568 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1OC 20024922 SCCACILUPUWUJO-UHFFFAOYSA-N 388.367 2.663 0 40 GFAB O=C(CN1N=C(C(=O)Nc2ccccc2)CCC1=O)Nc1ccc(Cl)cc1 65197743 OFJLFOCLVSMFMZ-UHFFFAOYSA-N 384.823 2.896 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 32455726 DHBUJEUJPBDRJX-GFCCVEGCSA-N 391.269 2.791 0 40 GFAB Cc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1C 408733975 UACSDXPGUDFCNJ-MSOLQXFVSA-N 399.450 2.780 0 40 GFAB O=C(NCCCCO)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 306137955 RKYQDVCUMJGMLF-UHFFFAOYSA-N 389.459 2.748 0 40 GFAB CC1CCN([C@@H](CNC(=O)c2cccc(CS(C)(=O)=O)c2)C(C)C)CC1 32914894 BLKIFVCQEKEFDX-IBGZPJMESA-N 380.554 2.718 0 40 GFAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218529768 NSDWPWFPWWQESM-YESZJQIVSA-N 386.300 2.871 0 40 GFAB COC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C(Br)=C(Br)[C@H]21 31672824 BZSYQMTXYCTLNO-ZYWBIDCJSA-N 392.043 2.540 0 40 GFAB O=S(=O)(NC[C@@H](O)c1csc2ccccc12)c1ccc2c(c1)OCCO2 225696211 XZPVRBSVRWAYFI-OAHLLOKOSA-N 391.470 2.684 0 40 GFAB O=C(CSc1nc2ccccc2o1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 49026538 QEKQZADUAZWLDQ-UONOGXRCSA-N 381.457 2.728 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 225425569 VUVPSTIOLZENAU-INIZCTEOSA-N 390.505 2.751 0 40 GFAB Cc1cccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)c1C 223928321 OUCTYNPBNIVNNB-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccccc1 222774750 CJHFXUGUXPSHJF-WIYYLYMNSA-N 396.487 2.778 0 40 GFAB CN(C)C(=O)n1c(C(=O)N2CCC(N(C)C)CC2)cc2c1c1ccccc1n2C 96146299 KMWZFHYRVBZWGX-UHFFFAOYSA-N 395.507 2.829 0 40 GFAB O=C(NCC1CC1)[C@H]1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2 96240859 DOIRNNBEEVGFHC-QGZVFWFLSA-N 375.444 2.612 0 40 GFAB COc1ccc(CN2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96050256 OJXLQLMMUMNIBL-JOCHJYFZSA-N 383.467 2.757 0 40 GFAB CC(C)Cc1ccccc1CNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 529071743 WBZAPTNENMHKQJ-QGZVFWFLSA-N 390.509 2.763 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 244037734 SWTJLVQOGOYCIN-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc2c1CCCC2 245227882 XIPKVCHJJFMJEA-XYNCURNNSA-N 376.456 2.557 0 40 GFAB Cc1ncc(C(=O)N2CCC[C@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)cn1 257281414 OPBAKCSJKDMVPJ-MRXNPFEDSA-N 392.463 2.942 0 40 GFAB CN(C)C(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3ccccc3)ccnc12 257315525 VBUYOFLWTCJWHS-KRWDZBQOSA-N 377.448 2.799 0 40 GFAB C[C@]1(C(F)F)CN(C(=O)Nc2cnc3c(Br)cccn23)CCO1 667098014 JLOUCGXBZDHBMJ-CQSZACIVSA-N 389.200 2.985 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 1625529129 PBPGRBZRXGWFGQ-INIZCTEOSA-N 383.492 2.922 0 40 GFAB N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390828716 BRRDDYNTUNXWAQ-OAHLLOKOSA-N 381.413 2.668 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C)c1 5075413 XHSFHKPNBACZTP-UHFFFAOYSA-N 394.518 2.953 0 40 GFAB COc1ccccc1OCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 12138469 FRNJGPAMIODJBE-KRWDZBQOSA-N 384.432 2.622 0 40 GFAB COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c1 12330106 DIXBVXAXHALXCO-PMACEKPBSA-N 385.460 2.785 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 14022817 GAXAFRDTGMLZBC-MRXNPFEDSA-N 388.489 2.759 0 40 GFAB CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)c1ccccc1OC 14608442 CCADCZNGUBNLQD-UHFFFAOYSA-N 395.419 2.717 0 40 GFAB CCOc1cc2c(cc1/C=C/C(=O)N1CCN(c3ncccn3)CC1)O[C@@H](C)C2 8112585 GRNRPIXWPAOTMJ-JFDDCEBESA-N 394.475 2.561 0 40 GFAB CCOc1cc2c(cc1NC(=O)CN1C(=O)c3ccccc3C1=O)O[C@@H](C)C2 18238162 FCJVLGVRAJLHME-LBPRGKRZSA-N 380.400 2.643 0 40 GFAB Cc1ccc(C2=NO[C@H](CC3(C(=O)N4CCC[C@H](O)C4)CCOCC3)C2)cc1 19208868 DUJNTFQAEBPLGY-OALUTQOASA-N 386.492 2.658 0 40 GFAB Cc1cccc(O[C@@H](C)c2nnc(NC(=O)[C@@H](C)N3CCOCC3)s2)c1C 19235674 MOUPKQCDJGCYCP-CABCVRRESA-N 390.509 2.954 0 40 GFAB CCN[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C2(CCCCC2)C1 19703983 ASQDBEQYXNWZET-OAHLLOKOSA-N 380.510 2.533 0 40 GFAB CN1CCC(N(Cc2ccccc2)C(=O)Cn2cnc3sccc3c2=O)CC1 19715366 SMGNOUUTIVGTHE-UHFFFAOYSA-N 396.516 2.581 0 40 GFAB CC1CCN(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)CC1 19715947 LRMSYHFOUSSUKS-MRXNPFEDSA-N 376.526 2.729 0 40 GFAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1noc2c1CCCC2 245060688 PWBZEBSCBZNWTD-UHFFFAOYSA-N 395.385 2.761 0 40 GFAB CN1CCO[C@H]([C@H](NC(=O)NC[C@H]2CCOC2(C)C)c2ccc(Cl)cc2)C1 664561961 PFPORUFYZXTKNH-BPQIPLTHSA-N 395.931 2.826 0 40 GFAB CNc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19592383 WFRJJNLEJJMCJF-CQSZACIVSA-N 382.493 2.710 0 40 GFAB Brc1cnc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)nc1 1888844487 ZFSAVIDXTKRMIV-LLVKDONJSA-N 376.258 2.812 0 40 GFAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3c(F)cccc3F)cc2)cn1 1889277371 GXOGJPHJDYXBAM-UHFFFAOYSA-N 377.416 2.886 0 40 GFAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1c(C)cccc1F)CC2 1565555905 RUQMSSZNWUUMMI-MRXNPFEDSA-N 376.472 2.871 0 40 GFAB COc1ccc2c(CC(=O)N3CCN(c4ccccc4F)CC3)cc(=O)oc2c1 9705047 RVQDEEOZNPMWEH-UHFFFAOYSA-N 396.418 2.832 0 40 GFAB O=C1OC2(CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2ccccc21 211110355 ZNERAMPCQYOXLX-UHFFFAOYSA-N 379.384 2.815 0 40 GFAB O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccc3c(c2)OCO3)no1 35528032 YNBFIOUXOYYUSO-UHFFFAOYSA-N 396.309 2.956 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cc(=O)c2ccccc2o1 38677569 JOIQRCMMCYDPRY-UHFFFAOYSA-N 398.440 2.894 0 40 GFAB Cn1cc(-c2ncccc2CNS(=O)(=O)c2ccccc2C(F)(F)F)cn1 575618751 OBMABVSPHZWNPW-UHFFFAOYSA-N 396.394 2.979 0 40 GFAB O=C(Nc1ccccc1)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 17178865 CDLFVRWJGQYJOB-UHFFFAOYSA-N 392.459 2.848 0 40 GFAB COc1ccc(CCNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1OC 40074797 KSICNJGMJICSFE-UHFFFAOYSA-N 386.839 2.910 0 40 GFAB Cc1ccc(-c2nnc(CCC(=O)N3CCN(c4nccs4)CC3)o2)cc1 40025610 IBBIPTOBKBJANM-UHFFFAOYSA-N 383.477 2.783 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)NCCc2cccs2)C(=O)N1c1ccc(Cl)cc1 20056623 SNFWOVQVRSODMS-GFCCVEGCSA-N 391.880 2.918 0 40 GFAB CN(CC(=O)Nc1ccccc1OC(F)F)C[C@H]1COc2ccccc2O1 31183594 SFGKNXLNDNEXJR-ZDUSSCGKSA-N 378.375 2.998 0 40 GFAB COc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1cccs1 2629657 YVHFWODLGBUEFS-UHFFFAOYSA-N 382.507 2.724 0 40 GFAB O=C(CCNC(=O)c1ccco1)NC1CCN(Cc2ccc(Cl)cc2)CC1 32781171 GGLRZYOFDWZIPQ-UHFFFAOYSA-N 389.883 2.834 0 40 GFAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1F 3511373 XRMQFKYOYNXWMA-UHFFFAOYSA-N 393.436 2.976 0 40 GFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 102382417 IPNCPTBPSQGIRF-USJZOSNVSA-N 394.874 2.870 0 40 GFAB CC(C)C[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4086266 GFQDWFQULTXWLV-CKEIUWERSA-N 376.478 2.651 0 40 GFAB biogenic CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccnc1 4271562 ATIRKYIMTKAAKL-KRWDZBQOSA-N 383.835 2.948 0 40 GFAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H](C)CCc2ccco2)cc1 4355416 DRVPLLZXUGYCFZ-RXAIFQJESA-N 390.505 2.667 0 40 GFAB CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 4890348 BMPXLXKHLHTEIL-OAHLLOKOSA-N 376.457 2.938 0 40 GFAB C[C@H](OC(=O)c1cncc(Br)c1)C(=O)N1CCc2ccccc2C1 6916668 ONWDDOGNGRZQGV-LBPRGKRZSA-N 389.249 2.974 0 40 GFAB CCC[C@@H](C)NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 6324788 ZVSCCUTXWSAYLY-LLVKDONJSA-N 377.304 2.520 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1 8626291 NGGGCCGGXDSLAQ-MRXNPFEDSA-N 389.473 2.754 0 40 GFAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 58408599 KGHXXXXXKQLICM-CQSZACIVSA-N 375.444 2.990 0 40 GFAB O=C(NCc1ccco1)C(F)(F)C(F)(F)C(F)(F)C(=O)NCc1ccco1 3028934 AFYQMSVROMKKFG-UHFFFAOYSA-N 398.259 2.711 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1 24260336 ZVVDKGMOOSERQN-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccnc2OCC(F)(F)F)c(C)c1 55239026 KJAPGOMLWZZSJS-UHFFFAOYSA-N 390.383 2.818 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1COc2ccccc2C1 24632452 OVUMAUNKWZITMY-QUCCMNQESA-N 384.451 2.567 0 40 GFAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 100634709 AJYDXIPSQULZLA-QPXQOZNCSA-N 375.424 2.731 0 40 GFAB COC(=O)c1c(C)cccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 24872710 PPRHGKIRGJYYEM-UHFFFAOYSA-N 380.400 2.797 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)OCC(=O)c1ccc2c(c1)OCO2 25114209 NGNOPGOBSHFJOV-UHFFFAOYSA-N 381.384 2.511 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)OCc1cc(C(C)=O)ccc1OC 3283648 SETGLUZUGNAFNO-UHFFFAOYSA-N 385.416 2.770 0 40 GFAB Cc1cc(N2C[C@@H](C(=O)Nc3ncccc3O)CC2=O)ccc1Br 58687264 KPGZOGDRZUYXSJ-NSHDSACASA-N 390.237 2.850 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 3315955 COFNJKGICXNPDX-MRXNPFEDSA-N 378.425 2.535 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 27973033 VFQWMYMQIBKPRH-UHFFFAOYSA-N 393.443 2.538 0 40 GFAB CC(C)n1nnnc1SCC(=O)NC[C@H](C)c1nc2ccccc2s1 58192628 UNTFPBPRCOLVCG-NSHDSACASA-N 376.511 2.876 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)c1 23078135 IQUXGKAKKXMMCN-HUUCEWRRSA-N 384.432 2.692 0 40 GFAB COc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 20482525 PQALZAQGZLARBK-UHFFFAOYSA-N 382.869 2.693 0 40 GFAB CC(C)CN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 58264505 CILUYGXFPMXCEP-UHFFFAOYSA-N 378.416 2.788 0 40 GFAB O=C1C[C@H](C(=O)NCc2cccc(NC(=O)C3CC3)c2)c2ccc(F)cc2N1 10580579 IUOGRMHGPDXNBP-KRWDZBQOSA-N 381.407 2.916 0 40 GFAB CCOC(=O)c1c(NC(=O)Cc2cccc(OC)c2)sc(C(=O)NC)c1C 12764508 UUOOUXKNUJCJED-UHFFFAOYSA-N 390.461 2.783 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCn2nc(C)cc2C)ccc1C 12781987 BRIMWIHYHAPDKC-UHFFFAOYSA-N 392.525 2.868 0 40 GFAB C[C@H]1CCCCN1CCCNC(=O)C1CCN(C(=O)c2ccsc2)CC1 48355683 KVFDSAKGIBYHST-INIZCTEOSA-N 377.554 2.981 0 40 GFAB NC(=O)c1c(NC(=O)CCn2c(=O)oc3ccccc32)sc2c1CCCC2 18117977 LMGOUTZAFGFAHS-UHFFFAOYSA-N 385.445 2.663 0 40 GFAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 12808225 WCQXQUKUNUZWOX-UHFFFAOYSA-N 375.446 2.877 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(CN4CCCC4=O)c3)C2=O)cc1 45821197 HVVPDEBYQNVKOJ-LJQANCHMSA-N 377.444 2.861 0 40 GFAB Cc1ccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1F 13002767 TYSDOVGMWZUAQE-QGZVFWFLSA-N 389.452 2.836 0 40 GFAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc(F)c21 8709329 TUOOKLSJRONIBN-LLVKDONJSA-N 391.420 2.937 0 40 GFAB O=C1c2ccccc2C(=O)N1CSc1nnc(-c2ccc3c(c2)OCO3)o1 5018601 RYXJVGSRKXJCTN-UHFFFAOYSA-N 381.369 2.811 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1Cc2cc(C)ccc2C(=O)O1 5270985 CHDXIYQMSVTEGS-SFHVURJKSA-N 399.399 2.519 0 40 GFAB Cc1csc(Sc2ccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2)n1 65476479 WZFUJVXNZDSABI-CQSZACIVSA-N 397.547 2.965 0 40 GFAB Cn1c(CCC(N)=O)nnc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 14015189 VOROEGULNLPGQP-GOSISDBHSA-N 395.488 2.705 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2C[C@@H](C)O[C@H](C)C2)c1 6417958 HCIBJUPERBWVBQ-HUUCEWRRSA-N 399.582 2.832 0 40 GFAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(C)c1 14137425 OALPFKOOBSNGTG-QFIPXVFZSA-N 393.443 2.559 0 40 GFAB O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 14185590 ZUAWKWPEVXEPHE-UHFFFAOYSA-N 394.450 2.740 0 40 GFAB Cc1nnc(NC(=O)CSc2nc(C)c(Cc3ccc(O)cc3)[nH]2)s1 4625955 ISBXYQXBJHRANS-UHFFFAOYSA-N 375.479 2.905 0 40 GFAB Cn1ccs/c1=N\C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 5549750 BDCOKCFQTZSQET-VXPUYCOJSA-N 399.497 2.579 0 40 GFAB CCc1c(C)sc(NC(=S)NCCCN2CCCC2=O)c1C(=O)OC 6955740 SLJTUWZXBLJKQU-UHFFFAOYSA-N 383.539 2.704 0 40 GFAB O=C(COC(=O)CSc1ccccc1)Nc1ccccc1C(=O)NC1CC1 6919461 YLRZXPUZGHHEKA-UHFFFAOYSA-N 384.457 2.853 0 40 GFAB CNC(=O)c1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1 15480046 VRHZQHGCBFNMBY-UHFFFAOYSA-N 378.519 2.566 0 40 GFAB CCN(CC)C(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 7871967 KXYANUOFYPEPPS-LJQANCHMSA-N 388.489 2.820 0 40 GFAB Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccccc2Br)c(=O)[nH]1 16467915 NWFYWKNZZKPQAV-SNVBAGLBSA-N 378.270 2.959 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCC2 8170892 YNNMSJQVYZRWIK-UHFFFAOYSA-N 399.516 2.784 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1I 79057390 VYMNAUSHPPPTFO-WCQYABFASA-N 384.261 2.955 0 40 GFAB CC(C)OC(=O)[C@@H](C)CNC(=O)c1occc1CS(=O)(=O)c1ccccc1 72300955 OTRUYBFNZBAADU-AWEZNQCLSA-N 393.461 2.571 0 40 GFAB Cc1nc(CCCNC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)n[nH]1 72306266 BGUVEEUCQPTCHP-UHFFFAOYSA-N 391.497 2.584 0 40 GFAB C[C@@H]1CN(C(=O)Nc2nnc(-c3nccn3C)s2)C[C@@H](c2ccccc2)O1 95446358 MIFYWAXBGOGVMY-OCCSQVGLSA-N 384.465 2.933 0 40 GFAB COc1c(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c(C)nn1C 95958561 RXHZPXMRIFEVLK-UHFFFAOYSA-N 385.464 2.750 0 40 GFAB C[C@H](c1ccccn1)N(CCOc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 89909900 MLBMTEAQMATJIC-MRXNPFEDSA-N 389.521 2.936 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2Br)cc1 67197762 XBTVUXDSSMBBCB-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 306126743 FDULWWGQZVCOBF-HUUCEWRRSA-N 381.411 2.567 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc(C(F)(F)F)c1 21561235 AWLQTJXZQPAETI-UHFFFAOYSA-N 383.370 2.690 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)c1c(-n2cnnn2)sc2c1CCC2 524734691 DBKGEQWYTVRQSZ-UHFFFAOYSA-N 378.461 2.666 0 40 GFAB Cc1cc(Oc2ccccc2)nc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 72384319 UYRSCZRZKZISNF-INIZCTEOSA-N 390.443 2.906 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 57470652 OQFQIYSEMINQAA-LIRRHRJNSA-N 387.480 2.741 0 40 GFAB O=C(O)Cn1cc(CCN2CCC(c3cccc(Br)c3)CC2)nn1 567396894 CEZRIIKBBXMFIR-UHFFFAOYSA-N 393.285 2.547 0 40 GFAB O=C(N[C@H](c1ccccc1)c1cccs1)C1=NN(c2ccccc2)C(=O)CN1 32993866 SOUQYTAKKMBBDJ-LJQANCHMSA-N 390.468 2.904 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)cc1 32124238 SVXYWNZBQBHTTH-SFHVURJKSA-N 377.404 2.771 0 40 GFAB biogenic COc1ccccc1C1(C(=O)N2CCC[C@H](N3CCNC3=O)C2)CCCCC1 559204489 YHUAMYNQUBWNCB-KRWDZBQOSA-N 385.508 2.913 0 40 GFAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)Nc5nc6c(s5)CC5(CCOCC5)CC6)[C@H]1[C@H]3[C@@H]42 562634461 GYDFPQXAHNDCHM-FIAMBEKESA-N 396.512 2.694 0 40 GFAB O=C1C[C@H](CNC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)CN1 521832090 BWBHJRGYWXZHJA-AWEZNQCLSA-N 399.413 2.642 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1Cl 224146487 SNQZJHKMSUMDJR-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OCC)cc1 224591578 ARZSWFLKRNPISB-UHFFFAOYSA-N 381.425 2.983 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 224115393 CIYHKIGEFZNOTE-UHFFFAOYSA-N 382.829 2.816 0 40 GFAB FC(F)(F)c1cc(N2CCCC2)nc(NC(=S)NCc2cccnc2)n1 225941715 ROYIMCAUOOWWAA-UHFFFAOYSA-N 382.415 2.977 0 40 GFAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 223705861 LTDWRLAHERDPSV-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccc(C)cc2C)cc1 224344193 CGUXBYHVTAFQCN-UHFFFAOYSA-N 377.462 2.588 0 40 GFAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(Cl)cc2)o1 96117805 RILCXTUJHUDOBZ-OAHLLOKOSA-N 377.824 2.688 0 40 GFAB CC(C)c1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4)[C@@H]3C2=O)cc1 95481460 PYIZVOIBLJUBDA-OALUTQOASA-N 391.431 2.742 0 40 GFAB CC[C@H](O)CN1CCN(c2nc(C(F)(F)F)nc3ccc(OC)cc23)CC1 585083289 NGDKTJUUCOIIQX-LBPRGKRZSA-N 384.402 2.550 0 40 GFAB Cc1cccc(Nc2cccc([C@H]3CN(CC(=O)N4CCCCC4)CCO3)n2)n1 257206216 BCLJENOWDGLTGN-LJQANCHMSA-N 395.507 2.914 0 40 GFAB C=Cn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](CO)C4)nc2C3)c(C)n1 257367424 PLINIUFTLNQOBE-MMOPVJDHSA-N 394.523 2.553 0 40 GFAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCCN(C(=O)CCC(=O)O)[C@H]3C[C@@H]21 257306274 STPFTJGMUWYYCM-IWKLRQMXSA-N 389.448 2.865 0 40 GFAB O=C(Cc1coc2cc(F)ccc12)NCc1ccccc1CN1CC[C@@H](O)C1 543832791 LWXPWNIADJHETF-LJQANCHMSA-N 382.435 2.997 0 40 GFAB O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)C1(c2cccc(OC(F)(F)F)c2)CCC1 627270675 KZMAKYIXYSVZIN-HOTGVXAUSA-N 398.425 2.674 0 40 GFAB CN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2cccc3ccccc23)CC1 670416161 UITOVSSVEFEOAD-KRWDZBQOSA-N 389.459 2.561 0 40 GFAB O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(O)nc(N3CCOCC3)nc2N1 670416112 MAJRWPLSNXEWMK-NSHDSACASA-N 394.353 2.512 0 40 GFAB O=C(CN1CCCC[C@H](O)C1=O)N(Cc1ccccc1)Cc1ccccc1F 644334492 QPWHFIDUWWZFRF-FQEVSTJZSA-N 384.451 2.728 0 40 GFAB COc1cccc(-c2nsc(NC(=O)N3CCC[C@@H](CC(=O)O)C3)n2)c1 669502457 CTBDPNSYHANCDF-NSHDSACASA-N 376.438 2.932 0 40 GFAB CCOC(=O)c1c(NC(=O)C(=O)c2c(C)nn(C)c2C)sc(C)c1CC 58574552 TZKSEZRPUGXRBA-UHFFFAOYSA-N 377.466 2.967 0 40 GFAB O=C(CCSc1ncnc2[nH]cnc12)N(CCc1ccccc1)[C@@H]1CCOC1 635677271 ZHULMJMHVVCUAA-MRXNPFEDSA-N 397.504 2.695 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 5018190 VSHDSIZCAIEPCM-SJORKVTESA-N 392.496 2.826 0 40 GFAB aggregator COC(=O)C1=C(C(=O)OC)[C@@]2(OC(C)=O)c3ccccc3-c3ccccc3[C@@H]12 5712195 BIMCFBABWXWLHN-PGRDOPGGSA-N 378.380 2.865 0 40 GFAB COc1nc(C)c(CC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)c(OC)n1 12143823 XKNQNBWAYRCWDT-UHFFFAOYSA-N 389.843 2.533 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3F)n2)c(C)o1 12183761 JQGNNMJMBNLWKY-CYBMUJFWSA-N 398.438 2.761 0 40 GFAB CCCNC(=S)Nc1nc(NC(=S)NCCC)nc(-c2ccccc2)n1 19074513 MWEOMRLACYJURQ-UHFFFAOYSA-N 389.554 2.931 0 40 GFAB O=C(CCCn1ccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344270 FASMSMOJLHIYSN-OAHLLOKOSA-N 397.504 2.881 0 40 GFAB O=C(c1onc2c1CCCC2)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888890106 RLHHTIRUQQZQPL-RBZFPXEDSA-N 386.427 2.804 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](COc2ccc(F)cn2)C1 1889213111 YNZQRAZXVLEPDA-CQSZACIVSA-N 380.441 2.627 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccco2)cc1 14196827 VGBWTUVIMKHXOT-UHFFFAOYSA-N 375.406 2.754 0 40 GFAB C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCO2 14483991 APZHKWMIDLTAAC-CYBMUJFWSA-N 380.400 2.555 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 35413689 JPKOWUHQXRUMCR-UHFFFAOYSA-N 389.502 2.910 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909189 BHIIGLHOFAXGNQ-HXUWFJFHSA-N 377.387 2.776 0 40 GFAB C[C@@H]1CC(F)(F)CCN1S(=O)(=O)Cc1ncsc1Br 632598478 SQTUMJVWGUKENX-SSDOTTSWSA-N 375.260 2.855 0 40 GFAB Cc1nnsc1-c1nnc2sc(-c3cncc(Br)c3)nn12 95479682 LSIYILATKMHYCF-UHFFFAOYSA-N 380.256 2.837 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](c1ccco1)N1CCSCC1 253402809 OTURHGSBSIFMOE-NBUZRDOWSA-N 386.473 2.928 0 40 GFAB CCn1cc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccc(OC(F)F)cc2)cn1 1565550484 BMWSJRMYOWSQAN-ROUUACIJSA-N 390.434 2.880 0 40 GFAB Cn1c(=O)c2nc(SCc3ccc(Cl)c(Cl)c3)n(C)c2n(C)c1=O 4571062 PPHULSQQRRBFFA-UHFFFAOYSA-N 385.276 2.570 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4580596 KJNLCHVJMMHBSW-HNNXBMFYSA-N 389.404 2.667 0 40 GFAB COc1ccc(CCNC(=O)CSc2ccc(-c3ccccn3)nn2)cc1 6859365 DQHRTLGYEMTKAD-UHFFFAOYSA-N 380.473 2.998 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1)c1cccnc1 2055781419 BZGNOELYMCBBAV-MRXNPFEDSA-N 397.429 2.618 0 40 GFAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cccs2)C1 2055746469 JYLADNRAIGQNTD-LJQANCHMSA-N 377.485 2.706 0 40 GFAB CCc1ccccc1NC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 23127801 PMLIIUNBTMHSLG-OAQYLSRUSA-N 395.503 2.767 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)s1 206847013 RVUDAKLCRIXJLI-AWEZNQCLSA-N 391.474 2.894 0 40 GFAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccc2c(c1)OCO2 44001956 DHSYUCJDBWEJDY-GQCTYLIASA-N 382.416 2.690 0 40 GFAB Cc1nn(CCNC(=O)Cn2c(=O)oc3ccccc32)c(C)c1-c1cccs1 575612373 CUJVHQCVEACLRC-UHFFFAOYSA-N 396.472 2.953 0 40 GFAB O=C(CCC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc2c(c1)CCC2 40039608 BGFCJFJFDDMGRL-UHFFFAOYSA-N 377.488 2.878 0 40 GFAB COCCN(CCOC)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 40069519 KYYOUMQOLFDKBN-UHFFFAOYSA-N 386.427 2.537 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 40051526 XKRLXNSFIVQLEJ-UHFFFAOYSA-N 390.386 2.895 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(NC(C)=O)ccc1OC 20006717 HBHBTLOMFKAPCI-UHFFFAOYSA-N 376.434 2.700 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116592 UXKGQHAIFNUBIY-PIGZYNQJSA-N 385.386 2.633 0 40 GFAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 40158449 JXEFOXQVOMNJDR-UHFFFAOYSA-N 388.418 2.825 0 40 GFAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 60064656 HGDRLRAUURKHFJ-UHFFFAOYSA-N 393.321 2.886 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2cnn(-c3ccccc3)c2)N(C)C)cc1 60321547 KBWIDYOWEHWTFQ-HXUWFJFHSA-N 384.505 2.762 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)C(F)(F)F)cc2c1 1366902 QQDNNTYTMGQWRF-HNNXBMFYSA-N 398.381 2.997 0 40 GFAB CCCOC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1771322 BVFZTIJPGYISCG-CYBMUJFWSA-N 380.400 2.877 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351972 XAZPDZDBZHZQFG-UHFFFAOYSA-N 396.399 2.534 0 40 GFAB Cc1noc2nc(-c3ccccc3)cc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c12 32869691 YXAKAUXDALEPPY-INIZCTEOSA-N 396.403 2.575 0 40 GFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(Cl)cc2c1OCOC2 8025298 XYTHECFNSDERRU-LLVKDONJSA-N 394.880 2.805 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7232233 FBJFTZIWHXXQTB-RDJZCZTQSA-N 396.443 2.787 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)NC[C@H]3COc4ccccc4O3)CC2=O)c1 32995837 YTIUQGZZULVTRG-ZBFHGGJFSA-N 398.484 2.718 0 40 GFAB COc1ccc(NC(=O)CNC(=O)c2ccco2)cc1OCc1cccnc1 32911937 KJBMWSUDZBSPOS-UHFFFAOYSA-N 381.388 2.631 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 19207824 TZMUYNJNDKHEHK-VXGBXAGGSA-N 380.347 2.512 0 40 GFAB COc1ccccc1C(=O)NCC(=O)OCc1ccc(Br)cc1 2726236 VYELLUNECPUOQT-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 640373 AINJMOBAYRAUTL-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB O=C(CN1CCC[C@@H]1CN1CCCCC1)Nc1ccccc1N1CCCC1=O 69076186 PYIKWUPABSPPBV-GOSISDBHSA-N 384.524 2.702 0 40 GFAB O=C(CCn1cccn1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 46919523 YJBRJKDVGSDHHR-MRXNPFEDSA-N 394.397 2.772 0 40 GFAB CCCn1c(=O)n(CCC(=O)N2CCC[C@H](c3nc(C)no3)C2)c2ccccc21 54663115 DBZLJDSDNVRVMK-INIZCTEOSA-N 397.479 2.701 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2nn(C)c(C)c2Br)c1 28306275 KOHZARDAWNFFKX-VIFPVBQESA-N 382.258 2.999 0 40 GFAB C[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2c(c1)CCCC2 100774869 CBUUUNBKIHMLMC-JIYBTHTKSA-N 392.499 2.938 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 24991882 BRUJIMJVJWVOFK-QGZVFWFLSA-N 384.461 2.912 0 40 GFAB O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(OC(F)(F)F)c1 55630748 DXSCXRBPSVNUMU-CYBMUJFWSA-N 391.371 2.762 0 40 GFAB Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1F 107367541 QUKPVCSSHBCYPG-BEFAXECRSA-N 378.394 2.836 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2F)cc2c1OCCO2 57116339 WOCDIMJMFHZEIU-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB COc1ccccc1NC(=O)N1CCN(CCCOCC(F)(F)F)CC1 58173544 AYOTUMAJKRMJCF-UHFFFAOYSA-N 375.391 2.814 0 40 GFAB CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C[C@H]1O 108380340 HRNBQTRDEHEKDM-WCQYABFASA-N 376.316 2.867 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 78517687 XPISPLLJKQLANJ-UHFFFAOYSA-N 396.834 2.988 0 40 GFAB CC[C@](C)(CNC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)N1CCOCC1 58023019 XERDJHNQNNSVDM-PZJWPPBQSA-N 391.512 2.867 0 40 GFAB O=c1/c(=C/C=C/c2ccccc2)sc2nc([C@H]3COc4ccccc4O3)nn12 16742074 ZNMQJNXCYXVZBO-XLHBQHSSSA-N 389.436 2.876 0 40 GFAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 8274725 LKCKNGFPTHXTLE-UHFFFAOYSA-N 387.490 2.729 0 40 GFAB C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 2420287 LZDWORRQIIONQK-UONOGXRCSA-N 397.880 2.916 0 40 GFAB COCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21 8685885 ABWXGMKXHGHBJJ-UHFFFAOYSA-N 396.472 2.760 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)NCc2cccc(F)c2)CC1 45608113 DCXXSNGEAYGSOT-UHFFFAOYSA-N 384.499 2.963 0 40 GFAB O=C(c1cc(F)ccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451391 URWXCLJSTSMRRN-UHFFFAOYSA-N 386.445 2.609 0 40 GFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)c(F)c1 12871064 VHYGEWSJWBISHE-LLVKDONJSA-N 380.416 2.897 0 40 GFAB CN(CC(=O)NC1CC1)C(=O)CN(Cc1cccs1)Cc1cccs1 12989675 TYNQVYSDDBEETJ-UHFFFAOYSA-N 377.535 2.549 0 40 GFAB Cc1nc2ncnn2c(O)c1CCC(=O)NCCc1ccc(Cl)cc1Cl 13735999 UQGOGTBLZDXDRW-UHFFFAOYSA-N 394.262 2.737 0 40 GFAB CCOCCCNC(=O)NC(=O)CSc1ncnc2sc3c(c12)CCC3 5212783 VBEDVBFAPRBPRL-UHFFFAOYSA-N 394.522 2.525 0 40 GFAB Cc1cccc(-c2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn23)c1 5349103 PHSGHWZOYZUEHK-UHFFFAOYSA-N 389.440 3.000 0 40 GFAB Cc1cc(O)c(C2=Nc3c(C(N)=O)cnn3[C@H](c3ccc(Cl)cc3)C2)c(=O)o1 6662811 DEQRKELTFYPHKR-AWEZNQCLSA-N 398.806 2.717 0 40 GFAB CC(C)NC(=O)CNC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21 17810333 BMEZHYLCHSARTD-UHFFFAOYSA-N 384.867 2.998 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1C 4778379 MGNJBSVNSHOZEW-CQSZACIVSA-N 392.477 2.626 0 40 GFAB Cc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1S(=O)(=O)N1CCCCC1 5886857 OOUWRYGGPDPQRN-QGZVFWFLSA-N 379.478 2.838 0 40 GFAB COc1ccc(-c2nnn([C@H](C(=O)N3CCCC3)c3ccccc3)n2)cc1OC 8708429 XRTCPFCFZMSLPL-IBGZPJMESA-N 393.447 2.569 0 40 GFAB CCOc1ccc([C@H]2NC(=O)NC(CN3CCCCCC3)=C2C(=O)OC)cc1 67287175 JEXXEZGRTMNGQL-LJQANCHMSA-N 387.480 2.742 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C3=CCCCC3)C3CC3)C2=O)cc1 7426176 XOYJTGCVXGYGRH-QFIPXVFZSA-N 397.475 2.911 0 40 GFAB Cc1cc(-c2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)n2N)[nH]n1 9088866 VYWHMGXGAZVIJY-UHFFFAOYSA-N 385.497 2.853 0 40 GFAB Cc1cc(=O)c(C(=O)NCc2ccccn2)nn1-c1cccc(C(F)(F)F)c1 7847795 ZWXXTDHDXGRBQJ-UHFFFAOYSA-N 388.349 2.885 0 40 GFAB O=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1cn(-c2ccccc2)nn1 96002994 OBCFGIXAVKIZPS-CQSZACIVSA-N 390.369 2.834 0 40 GFAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NC[C@@H]1CCCO1 9476655 NQMWVPNLKYUBJF-HNNXBMFYSA-N 395.411 2.840 0 40 GFAB biogenic Cc1ccc2c(c1)CCCN2C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 71795522 MTKMAWLWXWTRSW-HSZRJFAPSA-N 389.455 2.668 0 40 GFAB CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c(F)c2)CCO1 78972334 XCSAKLAWRIKORQ-KRWDZBQOSA-N 378.444 2.609 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)N3CCO[C@@H](c4ccccc4)C3)CC2)n1 79494567 MVVWCTVZQFCBDF-HXUWFJFHSA-N 380.492 2.910 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1C[C@@H]1c1ccccc1Cl 84501997 BYVFPJSAZPOTQV-CABCVRRESA-N 389.883 2.814 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCC[C@H]3CCCO)cc2)c1C 95444551 FGBJGQMICLESNY-KRWDZBQOSA-N 385.464 2.735 0 40 GFAB CN(C)C(=O)N1CCC(c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)CC1 95999034 QESXKWLIEOSYDH-SFHVURJKSA-N 399.495 2.504 0 40 GFAB c1ccc(CN2CCO[C@@H](c3noc(-c4cccc(-n5cccn5)n4)n3)C2)cc1 95999109 PLNRLTZWJFGNOF-GOSISDBHSA-N 388.431 2.891 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cc(Cl)c3c(c2)OCO3)N2CCOCC2)o1 25398819 INXYEPYTFUPCJV-HNNXBMFYSA-N 392.839 2.773 0 40 GFAB O=C(c1ccc(N2C(=O)c3nccnc3C2=O)cc1)N1CC[C@H](c2ccccc2)C1 408977619 XMOUSEROVFQRRZ-KRWDZBQOSA-N 398.422 2.907 0 40 GFAB COCCn1c(C)c(C)c2cc(C(=O)N(CC(=O)O)C3CCOCC3)ccc21 531748467 SREZQBIGWAAKCV-UHFFFAOYSA-N 388.464 2.610 0 40 GFAB COc1ccc(-c2cc(=O)n(CCNC(=O)c3c(F)cccc3F)cn2)cc1 70637531 NBSIEGMLARSJNL-UHFFFAOYSA-N 385.370 2.627 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218577726 NQWHGFAYSLADNL-LZLYRXPVSA-N 379.865 2.618 0 40 GFAB O=C(c1ccc2c(c1)C(=O)N(C1CC1)C2=O)N1CCC(O)(c2ccccc2)CC1 30819491 ODNUHOHAPNYAPM-UHFFFAOYSA-N 390.439 2.569 0 40 GFAB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cccc(OCC(=O)O)c3)C2=O)s1 135950307 AAPJBVAZQTZMMQ-LXPVWXOKSA-N 389.458 2.982 0 40 GFAB CSc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 223248122 RYVBLZMMLGBGMB-UHFFFAOYSA-N 394.518 2.985 0 40 GFAB COCCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cn1 225926601 MVUBHVKRSKOGLY-UHFFFAOYSA-N 387.480 2.618 0 40 GFAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 40390431 XROVXQMFZWLXGL-GJZGRUSLSA-N 395.463 2.603 0 40 GFAB CCOC(=O)CN(CCOC)Cn1nc(-c2cccc(Cl)c2)oc1=S 40139223 HYUXJCXQXSYCPV-UHFFFAOYSA-N 385.873 2.995 0 40 GFAB COc1ccc2c(c1)C(C[C@H]1CN(C(=O)C3CC3)CC[C@H]1CC(=O)O)=NCC2 49590476 ZKAXAOKULGOIHU-IRXDYDNUSA-N 384.476 2.780 0 40 GFAB biogenic,in-vitro Cn1cc(NC(=O)CCCOc2nn(C)c3ccc(Br)cc23)cn1 226865193 KVKVNENKRAWGRQ-UHFFFAOYSA-N 392.257 2.867 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 223408297 PXTLFCFLCLVORS-HXUWFJFHSA-N 384.476 2.800 0 40 GFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCCC2)c2ccc(Br)cc21 40268219 XGYKNLAGKJMMMO-OAHLLOKOSA-N 381.226 2.710 0 40 GFAB Cc1cc(C)n2nc(C(=O)N[C@H](C)Cc3ccc(Br)cc3)nc2n1 40121304 DQDVKNCSIRGTBL-LLVKDONJSA-N 388.269 2.865 0 40 GFAB O=C(COc1ccccc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77200531 KURNRCJKVLGYQP-UHFFFAOYSA-N 389.459 2.821 0 40 GFAB CCCCNC(=O)N1CC[C@@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 96225789 RPWUIMAVMLJDMY-IIBYNOLFSA-N 386.496 2.637 0 40 GFAB CC(C)Cc1nc2cc(NC(=O)[C@H](c3ccccc3)n3cnnn3)ccc2[nH]1 96118594 WSLYGFZQRMDMQP-IBGZPJMESA-N 375.436 2.976 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344301 AGNZVNGKFKRIFC-OAHLLOKOSA-N 387.443 2.756 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 253600723 XIQNBFWWRVWDLR-FBGZYWISSA-N 394.475 2.930 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)C3CCCC3)CCN21 253399378 IZFOSNUWYDSHSK-KRWDZBQOSA-N 387.499 2.763 0 40 GFAB biogenic,in-vitro CCN(Cc1c(-c2ccccc2)noc1C)C[C@@]1(C)Cc2c(N)nc(N)nc2O1 257242397 ICHIHKRZXVJKEI-OAQYLSRUSA-N 394.479 2.820 0 40 GFAB Cn1ccnc1-c1nccnc1[C@H]1CCCN1Cc1ccccc1OCC(=O)O 257248614 JELOWHIMJHOQGQ-MRXNPFEDSA-N 393.447 2.678 0 40 GFAB COc1ccccc1C1(C(=O)NC[C@@]2(O)CCc3ccccc3C2)CCOCC1 90611515 KWCBDONJHKVQNU-HSZRJFAPSA-N 395.499 2.780 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 96025773 RPSAHOXIWKSYDM-NRFANRHFSA-N 399.516 2.890 0 40 GFAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575405589 SJOQUOQIYHYUCD-MJGOQNOKSA-N 382.485 2.688 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](O)C2)C3)cc1F 585103022 BHGBGFTZRMXRGX-OALUTQOASA-N 390.499 2.602 0 40 GFAB O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCC1(c2ccccc2)CCC1 54719520 HADXBWJUMPTLGN-UHFFFAOYSA-N 391.471 2.990 0 40 GFAB CN(C)c1nc2sc(C(=O)NCC(=O)OCc3ccccc3)cc2s1 58393553 YAJLWOTZQWKQTM-UHFFFAOYSA-N 375.475 2.897 0 40 GFAB COc1ccc(CC(=O)N[C@@H](Cn2nnc3ccccc32)C(C)C)cc1OC 12145011 MYLLPUYUGYHICX-KRWDZBQOSA-N 382.464 2.832 0 40 GFAB CC(=O)c1cnc2cc(C(=O)NCCCN3CCCc4ccccc43)nn2c1C 12148390 WMFMIUIXYYVSPT-UHFFFAOYSA-N 391.475 2.813 0 40 GFAB COc1ccc(CC(=O)N2Cc3ccccc3O[C@H](CN(C)C)C2)cc1OC 12235125 SKPXLLYCSDLSLP-GOSISDBHSA-N 384.476 2.598 0 40 GFAB Cc1nnn(C23C[C@H]4C[C@H](CC(C(=O)Nc5ccc6c(c5)OCO6)(C4)C2)C3)n1 13541575 NJJMRSHUKAXXAS-LWYUSKRHSA-N 381.436 2.644 0 40 GFAB COc1cc(NC(=S)NC(=O)C(C)C)ccc1N1C(=O)c2ccccc2C1=O 17081265 NFAKIDHRZHWJRM-UHFFFAOYSA-N 397.456 2.965 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ccccn3)C2)n1C 19289275 CDJQNYZIDKVLAZ-CABCVRRESA-N 386.525 2.512 0 40 GFAB Nc1c(C(=O)[C@@H]2CCCN(C(=O)c3cccnc3)C2)cnn1-c1ccc(F)cc1 19337435 IPZJYXKIMDOAPC-OAHLLOKOSA-N 393.422 2.724 0 40 GFAB COc1cccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)c1 19445729 FUJABKINTVVGQN-OAQYLSRUSA-N 392.459 2.897 0 40 GFAB CCN(CC)C(=O)CN1CCC[C@H]1c1ccc(-c2ccc(C(=O)NC)nc2)cn1 19691809 WFSUZKKJWAWWAC-FQEVSTJZSA-N 395.507 2.509 0 40 GFAB Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)c1 19747512 NFQKMWINVAOFOS-OAQYLSRUSA-N 383.536 2.767 0 40 GFAB CC(=O)N1CC(OCC(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)C1 644313730 FYNSBBAAOBKKIB-UHFFFAOYSA-N 383.832 2.788 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)c4cnn(C)c4)CC3)nc2cc1OC 12087985 IKRROVNYFBNFNJ-UHFFFAOYSA-N 395.463 2.588 0 40 GFAB CC(C)N(C)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 1565552744 VTLOOTLXWXOFIZ-UHFFFAOYSA-N 375.488 2.507 0 40 GFAB COc1cccc(C(=O)NCc2nnc(SC)n2-c2ccccc2OC)c1 4059344 LVVJUAKZXIMJCS-UHFFFAOYSA-N 384.461 2.936 0 40 GFAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)O 5257805 GWUWESDOXHRDMQ-INIZCTEOSA-N 391.855 2.832 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 9036553 AFFCCXGLMIMUOG-HNNXBMFYSA-N 376.453 2.774 0 40 GFAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCc2ccccc2C1 11613651 DOPNATNWZGSCAT-MRXNPFEDSA-N 381.501 2.744 0 40 GFAB O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NC1CC1 13654779 VGKHEVFXORHCJU-UHFFFAOYSA-N 376.459 2.668 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1 210349137 LRMGVICWTGZHCM-GFCCVEGCSA-N 397.431 2.951 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C1CCCCC1 30475985 HJBKJKVZGUBBAE-FQEVSTJZSA-N 375.444 2.774 0 40 GFAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 40155118 LFXGZBBISIQLGZ-QGZVFWFLSA-N 376.412 2.823 0 40 GFAB CC(C)c1ccc(CN(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 18093748 XBIMBYXQNSYDLB-UHFFFAOYSA-N 399.516 2.897 0 40 GFAB O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 1325281 QQNURVHNPAUHIG-UHFFFAOYSA-N 386.539 2.519 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 32855682 ITZLLFKBCOYVNL-UHFFFAOYSA-N 382.445 2.785 0 40 GFAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccccc1Cn1ccnc1 32904452 IBQITDZKGHIRSF-UHFFFAOYSA-N 398.413 2.646 0 40 GFAB Cc1cc(C(=O)CCC(=O)OCC(=O)NC(=O)Cc2ccccc2)c(C)s1 7982119 KUZKKCKIRGRWIE-UHFFFAOYSA-N 387.457 2.757 0 40 GFAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)cc12 29992448 ULGPIXPWAYXNMX-UHFFFAOYSA-N 393.856 2.554 0 40 GFAB COc1ccccc1CN(C)[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 21917882 ZHSLICYOAYHXHI-LJQANCHMSA-N 381.520 2.860 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](NNc3ncc(Cl)cc3Cl)C2=O)cc1 100121614 CVUSYQKDJXKOAC-CYBMUJFWSA-N 381.219 2.646 0 40 GFAB CCOc1ccccc1OCCCC(=O)NCc1ccc(N2CCOCC2)nc1 12172778 RYZATHMGKYNGIX-UHFFFAOYSA-N 399.491 2.792 0 40 GFAB Cc1ccc2nc(SCC(=O)NCCCN3C[C@H](C)O[C@H](C)C3)[nH]c2c1 22733669 UCHHZIOSTRZTJI-GASCZTMLSA-N 376.526 2.579 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(CN2CCOCC2)cc1 23958634 QKJYBKZPCFENAZ-UHFFFAOYSA-N 398.551 2.847 0 40 GFAB CCCCN(CCO)c1nc(N(C)C)nc2c1CCN(Cc1ccccc1)C2 57731556 CAFDNJAVCLZHKI-UHFFFAOYSA-N 383.540 2.700 0 40 GFAB COc1ccccc1C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2 101874988 YBNWTGWJOUFIGO-TUKZGULFSA-N 385.460 2.896 0 40 GFAB COc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Br)cc1)C(=O)N2 1320668 VBQQNZKHFYVHCV-QGZVFWFLSA-N 376.206 2.870 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccnc3-n3cccn3)ccc12 25012835 NBYSNVSFEXFHND-UHFFFAOYSA-N 376.372 2.700 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1c2ccccc2CC[C@@H]1C 12534770 FXVPJWMZQNUAKK-INIZCTEOSA-N 381.476 2.900 0 40 GFAB Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)c2nc3n(c2n1)CCCCC3 57224569 NIXHNKDLZLZHGB-HNNXBMFYSA-N 383.496 2.597 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O 57485879 AXVXBGDOQIVZEY-UHFFFAOYSA-N 375.425 2.721 0 40 GFAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c1 8771061 RRCCNOTZYMQJDC-OAHLLOKOSA-N 377.400 2.928 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 8734525 DKGJSSLWNDXRMS-LLVKDONJSA-N 392.839 2.712 0 40 GFAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1ccccc1Cl 44782839 QEGQVWXAABXXRT-QGZVFWFLSA-N 380.897 2.692 0 40 GFAB CCCc1nnc(S)n1CC(=O)Nc1cccc(C(=O)N2CCCC2)c1C 58174762 UTZFOLMBBCJKRA-UHFFFAOYSA-N 387.509 2.702 0 40 GFAB Cc1ccc(CN(C(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)C2CC2)o1 58167203 AQBSIBFXZUIGLK-UHFFFAOYSA-N 378.432 2.775 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 2132787 UGDAZYNWOJHMFO-AEDCBLDQSA-N 375.421 2.573 0 40 GFAB biogenic Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 12792942 IBITYCUHBQPKMU-MDZDMXLPSA-N 398.894 2.928 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 3462787 HRDKWERZGORTIV-SFHVURJKSA-N 375.787 2.885 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(Cl)cn1)C(F)(F)F 19944286 WNTVLXQLNZYQKS-ZDUSSCGKSA-N 377.706 2.602 0 40 GFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 12902622 PFBRADLIEALQLV-AVRDEDQJSA-N 398.434 2.521 0 40 GFAB CCCN(Cn1nc(-c2ccc(C)cc2)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 12924407 DGASQFCFBQGYCT-OAHLLOKOSA-N 380.539 2.773 0 40 GFAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](C(=O)O)c1ccccc1 4089460 XBRBXJJZKJJNIZ-FRQCXROJSA-N 396.468 2.977 0 40 GFAB biogenic Cc1c(C)c2ccc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc1=O 4073400 XPYCCVAUQDRZDB-AOMKIAJQSA-N 385.460 2.942 0 40 GFAB biogenic COc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2c(=O)[nH]1 13598295 GEBIBANBTRFEGF-UHFFFAOYSA-N 380.433 2.508 0 40 GFAB Cc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(C)n1C1CC1 14182756 WWUHHSYBJCHCRR-RMKNXTFCSA-N 398.551 2.610 0 40 GFAB Cc1cccc(NC(=O)NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C 14242484 BUCDYPQBIUZQHI-UHFFFAOYSA-N 384.827 2.959 0 40 GFAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c1 71327356 UCFUPCFAMNYBSS-UHFFFAOYSA-N 397.410 2.934 0 40 GFAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@@H](O)c3ccccc3)ccc12 6659976 QGRAJWVZANAWOA-AUUYWEPGSA-N 381.428 2.973 0 40 GFAB COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 6624555 ABAJMXONUIGWHZ-XOBRGWDASA-N 398.459 2.922 0 40 GFAB biogenic Cc1nc2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2nc1C 6847990 SANBRGOHRVFCKF-UHFFFAOYSA-N 379.372 2.771 0 40 GFAB COc1ccc(CC(=O)OCC(=O)NCC2(c3ccccc3)CC2)cc1OC 22760048 IPCBAHYGAXUYGA-UHFFFAOYSA-N 383.444 2.638 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)c1 15360304 TWUISYXZNQJXMB-UHFFFAOYSA-N 388.489 2.547 0 40 GFAB CC1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 7446741 LAIKEXCDXSOVFS-UHFFFAOYSA-N 387.933 2.651 0 40 GFAB CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cn2cccn2)cc1 83989782 LDQLLOVSWHZSJR-UHFFFAOYSA-N 395.484 2.928 0 40 GFAB O=C(OCC1CCCCC1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547637 OCXWYMSXRQOXRW-MRXNPFEDSA-N 390.505 2.971 0 40 GFAB COc1ccc(N2C(SCC=C(C)C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 9304209 GWCFLZJDCISCJR-ZBFHGGJFSA-N 396.534 2.745 0 40 GFAB C[C@H]1[C@@H](N2CCOCC2)Oc2cc3c(cc2[C@H]1c1ccc2c(c1)OCO2)OCO3 61887436 OFUMSTVCETVCLF-DZKUTHLPSA-N 397.427 2.963 0 40 GFAB CC[C@]1(c2ccc(NC(=O)c3ccnc(C4CC4)n3)cc2)CCC(=O)NC1=O 69696225 POSGBUDFYQNSFZ-OAQYLSRUSA-N 378.432 2.691 0 40 GFAB CCCCNc1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)s1 8513714 SXXNWLJOPYJIEK-UHFFFAOYSA-N 392.554 2.586 0 40 GFAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587378 AQBIDIGSLBZDKK-UHFFFAOYSA-N 386.517 2.853 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc(N3CCC[C@H](C)C3)nc2N)cc1Cl 71771556 HLPWGWDODVRXBX-NSHDSACASA-N 396.900 2.790 0 40 GFAB CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 95347451 YPTDMWGPTWQLPT-MRVWCRGKSA-N 375.412 2.845 0 40 GFAB COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc1OC 72339841 TZFZGIILSKVITD-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB CCCc1nc(-n2cccc2)sc1C(=O)N1CCN(C(=O)OCC)CC1 95475261 KOLQHAJPHDPADS-UHFFFAOYSA-N 376.482 2.801 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 89782936 KWBMEDXSZZXNOP-HNNXBMFYSA-N 393.427 2.603 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 28238170 QBBQQWJCQAWNOV-UHFFFAOYSA-N 390.461 2.722 0 40 GFAB CC(C)(C)NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208606 ZWDYXOPQUULOHJ-UHFFFAOYSA-N 375.432 2.626 0 40 GFAB CSc1ncc(C(=O)N2CCO[C@]3(CCCC[C@H]3N3CCCC3)C2)c(C)n1 306138437 RXMSSJYEBIQPNZ-YLJYHZDGSA-N 390.553 2.757 0 40 GFAB CCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 408710411 OWUUPKOMOVGMDF-UHFFFAOYSA-N 376.472 2.839 0 40 GFAB Cn1cc(CN2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306124930 CCNFSACTTOBDFD-MJGOQNOKSA-N 385.514 2.904 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 408615690 CEQGSNIYHOJYHT-QGZVFWFLSA-N 390.505 2.650 0 40 GFAB O=C(Nc1cccc(Br)c1)[C@H]1COCC(=O)N1Cc1ccccc1 70641403 AKXDZYXJBRWYFB-MRXNPFEDSA-N 389.249 2.815 0 40 GFAB Oc1nc(N2CCOCC2)nc2ncn(-c3ccc(Cl)cc3)c(=S)c12 40385681 DDOAEYZYFXCRBP-UHFFFAOYSA-N 375.841 2.741 0 40 GFAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223047721 FOKTWEOGOJFVSQ-FGZHOGPDSA-N 380.488 2.942 0 40 GFAB CN(c1ccc(Cl)c(C(=O)NCCSC(C)(C)C)c1)S(C)(=O)=O 222494598 JRZZGMVJHLKSQS-UHFFFAOYSA-N 378.947 2.997 0 40 GFAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCCCc1cccc(F)c1 227161449 LHXYJRPDCAXJMV-UHFFFAOYSA-N 386.402 2.884 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)OC)cc3)ccc21 225606141 POJPEDLQMLGUBC-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB Cc1cc(-c2cc(C(=O)N(C)CC(=O)NC3CC3)c3c(C)noc3n2)c(C)o1 48374656 JMIOGJRJSHIXEM-UHFFFAOYSA-N 382.420 2.759 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 225968072 CRJBSGDBMOCXSN-UHFFFAOYSA-N 375.450 2.683 0 40 GFAB COc1cccc(CC(=O)N[C@H](C)c2onc(-c3cccnc3)c2C(=O)O)c1 96297001 LQCOOBPZXUYWEM-GFCCVEGCSA-N 381.388 2.863 0 40 GFAB biogenic,in-vitro CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3OC)ccc21 96321923 HYGKDCILYKNORX-UHFFFAOYSA-N 378.475 2.570 0 40 GFAB CC(=O)NCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1596709517 KBMBPRDDJHPTMY-KFKAGJAMSA-N 382.512 2.881 0 40 GFAB CN(C)C(=O)c1cnn2c([C@H]3CCCCN3C(=O)c3ccccc3)ccnc12 257315526 VBUYOFLWTCJWHS-QGZVFWFLSA-N 377.448 2.799 0 40 GFAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)c1O 257270227 MTGHLUSVISBMPX-WLGVSOJHSA-N 389.492 2.782 0 40 GFAB CCc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)on1 257242764 IEAQAEYSBLUITF-LRDDRELGSA-N 391.855 2.676 0 40 GFAB COc1ccc(-c2cc(C(=O)NC[C@@H]3CCCN3CC(F)F)n[nH]2)cc1OC 628614936 FLQHOEPWKLILLE-ZDUSSCGKSA-N 394.422 2.553 0 40 GFAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC(c2ncc(C(=O)O)s2)CC1 630246143 QBFMXHHMKKUBCM-SNVBAGLBSA-N 376.482 2.701 0 40 GFAB COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 90612052 MCAYXDGQCQLBFF-UHFFFAOYSA-N 380.466 2.711 0 40 GFAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCN(c2ccccc2)C(=O)C1 680904912 MYZCFBZJDKFNIN-UHFFFAOYSA-N 392.459 2.768 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@H](c1ccsc1)n1cccn1 575612730 CEQWFXLWVUNWJH-MRXNPFEDSA-N 383.445 2.932 0 40 GFAB COCCNC(=O)CC1CCC2(CC1)CCN(C(=O)c1c(C)noc1C)CC2 585101512 KIISHZGKMFZVTP-UHFFFAOYSA-N 391.512 2.857 0 40 GFAB CN(CC(=O)O)C[C@H]1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)CCO1 582476025 GRGMMRYVQDKASN-HNNXBMFYSA-N 397.431 2.835 0 40 GFAB COCc1ccccc1-c1cnc2n1CCN(C(=O)Cc1ccccn1)CC2 585111090 CYOMKCFAFALROI-UHFFFAOYSA-N 376.460 2.719 0 40 GFAB O=C(NCc1ccccc1-n1cccn1)[C@H]1CC(=O)N(CCc2ccccc2)C1 57994061 BMEQMQGHYDCYJQ-FQEVSTJZSA-N 388.471 2.580 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(F)c4F)C[C@H]32)c(OC)n1 72392621 VQEWCZWGRPCHER-PGICJIBASA-N 391.418 2.502 0 40 GFAB Cc1nc2c(c(N3CCC(NC(=O)c4n[nH]c5ccccc45)CC3)n1)CCCC2 225740036 XFMINDIUGKJENR-UHFFFAOYSA-N 390.491 2.939 0 40 GFAB Cc1cc2c(cc1C)[C@@H](C(=O)NCc1nnc3n1CC[C@@H](C(F)(F)F)C3)CO2 1651900622 AKDZNYOMXNSCJO-OCCSQVGLSA-N 394.397 2.812 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Nc2ccccc2F)cc1 5000190 VJALGMCAAXBZTK-KSSFIOAISA-N 387.411 2.830 0 40 GFAB O=C(NC(=S)Nc1ccccc1NC(=S)NC(=O)C1CCC1)C1CCC1 5338259 XBHJASJWUDZPIN-UHFFFAOYSA-N 390.534 2.913 0 40 GFAB CCn1c2cc(C)oc2c2cnn([C@@H](C)C(=O)NCc3ccncc3)c(=O)c21 12117741 TWDCFOLLYOSBIV-ZDUSSCGKSA-N 379.420 2.545 0 40 GFAB Cc1ccc2oc(=O)n(CC(=O)NC[C@H](c3ccccc3F)N3CCCC3)c2c1 12200954 GAIMKZCCHOMHJL-LJQANCHMSA-N 397.450 2.995 0 40 GFAB O=C(CCNC(=O)NCc1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 12975806 KLDBFZLMLVFWPD-UHFFFAOYSA-N 377.347 2.836 0 40 GFAB COc1ccc(F)c(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 19551435 GERHLSAGDLBMHT-HNNXBMFYSA-N 380.423 2.969 0 40 GFAB CNc1nc(C(N)=O)c(NC(=O)c2cc(-c3ccc(F)cc3)n(C)c2C)s1 19625951 RLWKQEOLRYPGJC-UHFFFAOYSA-N 387.440 2.989 0 40 GFAB CC(C)(C)C(=O)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700891 WCYRLYQZVCJHBY-HSZRJFAPSA-N 395.503 2.584 0 40 GFAB COc1cc(CN2CCC[C@H](c3n[nH]c4nccnc34)C2)cc(OC)c1OC 19549735 DIFQVJLCTSACKB-AWEZNQCLSA-N 383.452 2.758 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 4144795 MSMROTKSZPELPR-CQSZACIVSA-N 380.400 2.844 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2O)CC1 32753244 KTDNTHQFZHLDHB-UHFFFAOYSA-N 379.460 2.591 0 40 GFAB O=c1c(=O)n(-c2ccc3c(c2)OCCO3)ccn1Cc1c(F)cccc1Cl 4569910 MGPWHGBCZGSKRJ-UHFFFAOYSA-N 388.782 2.611 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)c3ccc(OC)c(OC)c3)CC2=O)cc1 5195810 XSIAFHMCCZPSKU-OAHLLOKOSA-N 384.432 2.638 0 40 GFAB CCNC(=O)c1cnn2c([C@@H]3CCCN(C(=O)[C@@]4(C)CC=CCC4)C3)ccnc12 2055738759 OQRNNWRWALLQOI-ZHRRBRCNSA-N 395.507 2.931 0 40 GFAB CC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851613 ZHOUVHOAMFMHNA-IBGZPJMESA-N 385.439 2.554 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)o2)c1 1775965454 UQMLIKXNJSJVGY-CYBMUJFWSA-N 393.417 2.569 0 40 GFAB COC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 22851344 RTVQIILSEFKREF-SFHVURJKSA-N 383.448 2.635 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 22285969 ROXPHSXKXZRSSN-CYBMUJFWSA-N 390.436 2.611 0 40 GFAB O=c1oc(-c2ccc(F)cc2)nn1Cc1nc2ccc(Cl)cc2n1CCO 10423130 JRBAOXUPIOLZOH-UHFFFAOYSA-N 388.786 2.686 0 40 GFAB CCCn1c(SCC(=O)N[C@H]2CCCCNC2=O)nc2cc(Cl)ccc21 40127508 DXMGEFLKTASNDQ-ZDUSSCGKSA-N 394.928 2.977 0 40 GFAB CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)NC(=O)NC1=O 100616087 QZPHTEXHTQKRBC-UHFFFAOYSA-N 377.444 2.828 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)O 11691679 UPPCUABLISBUCD-CQSZACIVSA-N 386.267 2.990 0 40 GFAB O=C(NCCc1ccccc1F)c1ccccc1S(=O)(=O)N1CCCCC1 32676238 DTGGIWOMRDJKIJ-UHFFFAOYSA-N 390.480 2.973 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467689 TZOIZYMWENXFCM-GFCCVEGCSA-N 394.474 2.516 0 40 GFAB CCCOc1ccc([C@H](C)NCc2cc(=O)n(C)c(=O)n2C)cc1OCCC 32865626 VCGGMXBTYNJUGO-HNNXBMFYSA-N 389.496 2.512 0 40 GFAB CCOc1ccc(-n2ncc(C(=O)OCc3cc(OC)ccc3OC)c2C)nn1 32898858 GVFOCQOZRNLGOG-UHFFFAOYSA-N 398.419 2.744 0 40 GFAB CCc1ccccc1N(CC(=O)N(C)Cc1ccc(OC)cc1)S(C)(=O)=O 7871808 FZVRCJOMFNKNER-UHFFFAOYSA-N 390.505 2.682 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC[C@H]2c2ccccc2)c1C 10340372 ZXTXXYLMGGALLE-IBGZPJMESA-N 387.505 2.726 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2OC)cc1 8412290 BFBGYDYQUFOUQP-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB NC(=O)c1ccc(CN2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc1 46725558 HGQGCBBRWBLAMN-UHFFFAOYSA-N 377.488 2.622 0 40 GFAB COc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)O)cc1 1198810 KPAQYWSZGOPYON-OQLLNIDSSA-N 387.388 2.577 0 40 GFAB biogenic CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 105665594 RJGDABLUPJEITG-WMZOPIPTSA-N 382.501 2.845 0 40 GFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(F)cc1 22252657 ODOXUHGTYCGFFD-UHFFFAOYSA-N 396.440 2.881 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 24809314 LBKXEWUCNGRAJR-CYBMUJFWSA-N 380.448 2.774 0 40 GFAB C[C@H](NC(=O)CN1CCN(c2ccc(Cl)cn2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 107135478 OWCQTXBTVCPTAM-OVWQWFNUSA-N 376.932 2.798 0 40 GFAB CCc1nn2c(=O)cc(CNc3cccc(NC(=O)NC(C)C)c3)nc2s1 25905916 OVUYWSSBGILPHI-UHFFFAOYSA-N 386.481 2.855 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](c1cccs1)N1CCCC1 48090937 VBYOGEYJWYIFCP-MRXNPFEDSA-N 384.567 2.749 0 40 GFAB CCc1ccc(NC(=O)C2=CC(c3ccccc3OC)=NS(=O)(=O)N2C)cc1 20192466 MMPYKIZVJCVWMP-UHFFFAOYSA-N 399.472 2.760 0 40 GFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@@H]4C2=O)no1 101440529 XCLJIXXMLYMVTE-QCKGUQPXSA-N 387.480 2.600 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2ccc(F)cc2)n1 58128480 FKGDPRACZATSFR-UHFFFAOYSA-N 395.442 2.715 0 40 GFAB Cn1cc(Nc2nc(-c3ccc4c(c3)CCCN4S(C)(=O)=O)cs2)cn1 58244498 PRHFFNFYZZFJRJ-UHFFFAOYSA-N 389.506 2.999 0 40 GFAB CCCc1cc(=O)oc2cc(OCC(=O)NC(=O)NCc3ccco3)ccc12 25319919 GGDXPYWETLDHPA-UHFFFAOYSA-N 384.388 2.743 0 40 GFAB COCCCn1c(=S)[nH]c2cc(C(=O)NOCc3ccccc3)ccc2c1=O 10319289 USVWIXROHZWZJH-UHFFFAOYSA-N 399.472 2.957 0 40 GFAB CCc1ccc([C@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)N(C)C)cc1 48290659 GFZGAXBFILGVJY-NRFANRHFSA-N 392.503 2.722 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)ccc21 12796921 FTRLGNMEEHXXNF-UHFFFAOYSA-N 390.443 2.794 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 36689231 JKSOCWDIYKJXPR-BEFAXECRSA-N 379.460 2.589 0 40 GFAB Cc1c(O[C@H](C)C(=O)NCCCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2426687 UCCJMDHHVPDKQO-CYBMUJFWSA-N 387.432 2.729 0 40 GFAB COc1cccc(-n2nnc(C(=O)Nc3ccc(Br)cn3)c2C)c1 59250990 LETTWLXRLMPPBU-UHFFFAOYSA-N 388.225 2.994 0 40 GFAB COc1ccc(CCCN(C)C(=O)CNC(=O)c2ccc(C)cc2)cc1OC 12889166 RHIVRADGDISILQ-UHFFFAOYSA-N 384.476 2.833 0 40 GFAB C[C@H](NC(=O)COc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 3440479 CTJXNQMCGHSWTB-ZDUSSCGKSA-N 380.366 2.905 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCCCn1c(=O)[nH]c2ccccc21 3568156 JJOKGWAQUAMHIB-UHFFFAOYSA-N 396.476 2.805 0 40 GFAB COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccc4c(c1)OCO4)N(C)CC3)OCO2 4028861 SGLZUWYAYMZTKG-CABCVRRESA-N 385.416 2.805 0 40 GFAB biogenic CCCCCCOc1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 4122039 DUTPATHNLHNYFK-OAHLLOKOSA-N 378.469 2.716 0 40 GFAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 13603203 DILBYBNSGKXCFZ-YFQSIASUSA-N 380.444 2.761 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccc2O)N1Cc1ccncc1 13693631 KNHDSTLDZWISEX-WIYYLYMNSA-N 396.468 2.636 0 40 GFAB COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8726144 MHGSDBPJCZPGOE-UHFFFAOYSA-N 383.857 2.660 0 40 GFAB COC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 8746197 WDEQEFKZFFXDOM-GHMZBOCLSA-N 382.210 2.841 0 40 GFAB CCN(CC)C(=S)SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 6381764 JNVAYUBYPRWQGJ-UHFFFAOYSA-N 392.550 2.783 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccs2)C1=O 14068466 CSCKNYSRLJKTRZ-PXNSSMCTSA-N 383.473 2.674 0 40 GFAB C[C@@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccs1 9336375 MKGPVODTQUTBEX-CYBMUJFWSA-N 393.472 2.980 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)C[C@@H](C)O1 5523906 VGDLFVMQUHPTEW-HZPDHXFCSA-N 394.537 2.889 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cc3ccccc3n2Cc2ccccn2)CC1 6783860 AWKYHHBKLCXFCC-UHFFFAOYSA-N 392.459 2.999 0 40 GFAB COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 7004314 DWVISTGBPWQUSJ-JTQLQIEISA-N 390.856 2.839 0 40 GFAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)s1 8943175 MAJPWYFGXGNGDJ-UHFFFAOYSA-N 389.864 2.673 0 40 GFAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(Cl)s1 8924043 QDRVFVQPBVIEKF-UHFFFAOYSA-N 395.868 2.953 0 40 GFAB C[C@H](SCc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 8937179 GQIQJBWZGUPZKV-GWCFXTLKSA-N 381.441 2.630 0 40 GFAB CCOc1ccc(C(F)(F)F)cc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 67584322 BUTNJTZAUPEYFR-SNVBAGLBSA-N 380.388 2.660 0 40 GFAB CCOc1ccccc1OCCCC(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 15617013 DFPHCMYGJVNVSI-FQEVSTJZSA-N 398.459 2.785 0 40 GFAB C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc2c(c1)CCC2 7300511 OQOYMRHSMDXSCC-SECBINFHSA-N 394.547 2.724 0 40 GFAB CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71288328 WOWQAAMGORGWHB-UHFFFAOYSA-N 390.399 2.699 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1C1CC1 8073286 ZOVOXASCEYOOCK-JOCHJYFZSA-N 393.443 2.852 0 40 GFAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCc2ccccc2C1 8216209 CKCRYZVOYDHKSR-UHFFFAOYSA-N 399.454 2.626 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC 22524333 ZHQLDCLXDFUABH-CQSZACIVSA-N 396.443 2.957 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1 9888703 WAKMOUMJSGMBDR-UHFFFAOYSA-N 388.489 2.553 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)N1CCCC1 408605121 MRCDFUMCHNBEOO-UHFFFAOYSA-N 384.501 2.978 0 40 GFAB O=C(C[S@](=O)Cc1cc(Cl)c2c(c1)OCCO2)N1CCc2ccccc21 71801118 ZCWKSCWHNDIPQK-SANMLTNESA-N 391.876 2.949 0 40 GFAB O=C(C[S@](=O)Cc1cc(Cl)c2c(c1)OCCO2)NCc1cccs1 71801114 HIPNYCXICGQBQC-DEOSSOPVSA-N 385.894 2.738 0 40 GFAB CNc1snc(C)c1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 84026789 VYCTZMOJGCJYBM-UHFFFAOYSA-N 376.457 2.667 0 40 GFAB Cc1nscc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 95458330 GSZKFQYWSJNVCT-UHFFFAOYSA-N 393.534 2.722 0 40 GFAB COC(=O)Cn1nc(C)c(CNC(=O)c2csc(-c3ccsc3)n2)c1C 89512643 OOQOMYDIDNMLGX-UHFFFAOYSA-N 390.490 2.788 0 40 GFAB COc1ccccc1CNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113966937 PSEXYUBMDJMZRR-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB COc1cccc([C@@H]2CNCCN2C(=O)NCc2cn3cc(Cl)ccc3n2)c1 1554109447 MCOSILAHJXGVSH-SFHVURJKSA-N 399.882 2.852 0 40 GFAB Cn1ccc2cc(C(=O)N3CC4(C3)OCC[C@H]4COc3cccnc3)ccc21 306123537 APQSPUKDGXMYLV-SFHVURJKSA-N 377.444 2.883 0 40 GFAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1 1550723854 UNWWMLCDLQIWNO-JYJNAYRXSA-N 384.398 2.643 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 35464574 AKSMCYXVBDZJRK-DZHLENKCSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218532335 PKUDCTXBOKGATM-JENIJYKNSA-N 393.892 2.788 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O)OCc1ccccc1 4760116 SLQMUASKUOLVIO-RTBURBONSA-N 396.443 2.600 0 40 GFAB COc1ccc(-c2coc3cc(OC(=O)[C@H](N)CCCCN)ccc3c2=O)cc1 32109468 WSXZMNZWXLNIPA-LJQANCHMSA-N 396.443 2.830 0 40 GFAB biogenic Cc1c(NC(=O)NCC23CC(CO2)C3)nnn1Cc1ccc(C(F)(F)F)cc1 529093883 VWDQGVZJXKLPHC-UHFFFAOYSA-N 395.385 2.954 0 40 GFAB Cc1nc2c(c(Nc3ccccn3)n1)CN(C(=O)Cn1cnc3ccccc31)CC2 72380796 PCISQNMUGVXZHQ-UHFFFAOYSA-N 399.458 2.858 0 40 GFAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc2c(c1)OCO2 62022946 ZMKZGBHQKPQHEO-CYBMUJFWSA-N 392.371 2.571 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccccn1)Cc1ccco1 62018110 VVDAVNOOTCORCY-UHFFFAOYSA-N 386.429 2.837 0 40 GFAB CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241283 BVBHUACEVGIIEV-IRXDYDNUSA-N 378.881 2.958 0 40 GFAB COCCn1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 79483713 XGJFWUBQBQFZDS-UHFFFAOYSA-N 393.369 2.554 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349712 SYMAWRKMJODALT-IBGZPJMESA-N 397.494 2.850 0 40 GFAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)c1OC 73257552 CKUCWPTUZQKDGP-SIJSFFJVSA-N 387.432 2.501 0 40 GFAB COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(C)c1 224643475 JLQJLZWPHONSQG-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1 223043480 XQOFYOQCAAFAIO-UHFFFAOYSA-N 380.897 2.839 0 40 GFAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 225093665 WWDUTHRGSDTQJN-AWEZNQCLSA-N 386.473 2.942 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1OC 223879319 PXGJEXREUBDFHW-UHFFFAOYSA-N 396.896 2.919 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222484266 MFCLSDAQWLXBIJ-INIZCTEOSA-N 390.505 2.897 0 40 GFAB CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)NC(C)C)sc2C1 77196411 CRCCFJOWESRSFH-UHFFFAOYSA-N 394.526 2.676 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c(C)o1 96230227 AHDFNIAEQIWABO-UHFFFAOYSA-N 381.476 2.503 0 40 GFAB Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)c3cc4ccccc4[nH]3)C2)n1 90592016 YRYCEDKCPDDZQT-OAHLLOKOSA-N 388.431 2.930 0 40 GFAB Cn1ccc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 96115464 PWTKWAYMKCWODC-KRWDZBQOSA-N 376.416 2.648 0 40 GFAB biogenic O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2ccco2)Oc2ccccc21 247475321 GXWPVYLBYOLOKN-CAAIWKOSSA-N 380.444 2.893 0 40 GFAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)cs1 248056305 UNYHYBVWLKJIAJ-CQSZACIVSA-N 379.507 2.807 0 40 GFAB Cc1cc(-c2nc(C)c[nH]2)nc(CC2CCN(C(=O)C3CCN(C)CC3)CC2)n1 257262365 LLDJQGOQHXIACG-UHFFFAOYSA-N 396.539 2.606 0 40 GFAB Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ncn(Cc2ccncc2)n1 585079967 YPLZHGKPTGUTGQ-UHFFFAOYSA-N 397.382 2.849 0 40 GFAB CCn1ncc(NC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](OC)C2)c1C(F)(F)F 626552687 GODOXHXDQMYUFE-SCRDCRAPSA-N 389.422 2.685 0 40 GFAB COc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)N2CCCC2)cc1 626745308 SIODRYUFJLQXSR-IPELMVKDSA-N 389.496 2.584 0 40 GFAB O=C1Cc2ccc(CC(=O)N3CCC[C@@]4(CC(=O)c5ccccc5O4)C3)cc2N1 628734145 DVWAUYVWVNRDOD-HSZRJFAPSA-N 390.439 2.750 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365638 FLCYDSPPKUIMDB-UGAXZCSASA-N 385.441 2.503 0 40 GFAB Cc1cccc(C(=O)N2Cc3cncn3[C@@H](C(=O)NCc3cccs3)C2)c1 585095913 BDDCKYDEJVKNIW-GOSISDBHSA-N 380.473 2.767 0 40 GFAB O=C(N[C@@H]1CCC1(F)F)[C@@H]1CCC[C@]12CCN(C(=O)Cc1ccccn1)C2 585107316 PRUVZRLXUYEGGA-FRQCXROJSA-N 377.435 2.557 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)c1 12225149 MWLXCTMNXDEJMC-OAHLLOKOSA-N 383.477 2.644 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc(NC(C)=O)cc1)CC2 14276100 FHMDPXVGRDTVGO-UHFFFAOYSA-N 384.432 2.626 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 15324272 SBAIESBFQXMDPO-UHFFFAOYSA-N 388.489 2.515 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 16015547 PMYXBGVZLUBYOY-INIZCTEOSA-N 377.444 2.566 0 40 GFAB COc1c(C)cccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19235842 ZDFFUNLUWOFLMY-LJQANCHMSA-N 394.475 2.676 0 40 GFAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc[nH]n2)cc(N(C)C)n1 19240888 QAYAKHRXFRPIDV-GOSISDBHSA-N 389.463 2.769 0 40 GFAB COc1ccc2[nH]c(CN3CCc4c(nc(N5CCCC5)[nH]c4=O)C3)c(C)c2c1 19565497 ILTURRPMBNGVKA-UHFFFAOYSA-N 393.491 2.727 0 40 GFAB CN(C)c1cc(C[C@@H](NC(=O)c2cnccn2)c2ccccc2)nc(C2CC2)n1 19584265 GCGWRDDQPHGQKX-GOSISDBHSA-N 388.475 2.924 0 40 GFAB CNc1cc(CN(C)Cc2ccc(OC)c(OC)c2)nc(C2CCNCC2)n1 19710119 LGQBOTHUXMGLIG-UHFFFAOYSA-N 385.512 2.635 0 40 GFAB CN1CCCc2ccc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cc21 19718290 DVLPXVGVVYZGIS-UHFFFAOYSA-N 384.480 2.652 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)o1 19748090 KFZJNDZBAONZKJ-INIZCTEOSA-N 380.448 2.594 0 40 GFAB CCN1C(=O)S/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 6318743 WBCOFCLVZKNFFO-GZTJUZNOSA-N 399.472 2.556 0 40 GFAB Cc1ccnc(-n2cccc2CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 105714448 NOTKVSTZRMRBDP-UHFFFAOYSA-N 398.470 2.884 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2F)cc1 25073567 OGPPWMLSIGCARI-UHFFFAOYSA-N 379.457 2.905 0 40 GFAB CN1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 4087021 KZPAGMMIUPURBN-UHFFFAOYSA-N 394.294 2.850 0 40 GFAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1 4224347 BSPYMKAEQVWWLS-UHFFFAOYSA-N 397.456 2.952 0 40 GFAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc21 5252484 CZSQRRAHQLXRBI-UHFFFAOYSA-N 385.851 2.894 0 40 GFAB CC(C)c1nnc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)s1 9661316 WRODOZATFZCNQZ-UHFFFAOYSA-N 394.460 2.903 0 40 GFAB Cc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)NCc1ccco1 23138601 YGMFVRJOAWYVIL-UHFFFAOYSA-N 387.436 2.962 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@]2(COCc3cncnc32)C1 503771726 SPJDWWGZJUXAFB-OAQYLSRUSA-N 376.416 2.754 0 40 GFAB COc1ccc(/C=C/C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)cc1OC 575611609 DOAZHAMRSQJIKK-DRDHIDPGSA-N 389.839 2.840 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)NCCSCc2ccccc2)c1 40097170 BGPHMJCPZGCAIP-UHFFFAOYSA-N 393.534 2.992 0 40 GFAB NC(=O)Nc1cccc(CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 40157737 HMTCNTRLPDZAFD-UHFFFAOYSA-N 375.812 2.922 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccccc2)C1=O)C3 100791657 IBQBDSUVCKKKDV-FQEVSTJZSA-N 375.428 2.867 0 40 GFAB biogenic CCOC(=O)c1c(C)oc2ncn(Cc3noc(-c4cccc(C)c4)n3)c(=O)c12 32329233 QXHSPZUEGPOONH-UHFFFAOYSA-N 394.387 2.881 0 40 GFAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc(-n2cncn2)nc1 32462394 JOADISODRDTRHT-UHFFFAOYSA-N 386.415 2.574 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)n2c1nc1ccccc12 32581136 FZRWWEGPKKOPJX-SFHVURJKSA-N 378.432 2.908 0 40 GFAB Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1cccnc1 796432 WUJWJAQNCBQTBY-UHFFFAOYSA-N 395.488 2.589 0 40 GFAB Cc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)no1 2664650 RSENVWGCPDXYGM-MDZDMXLPSA-N 380.404 2.981 0 40 GFAB COc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 3376208 LHJFMADBVQCUPQ-UHFFFAOYSA-N 388.372 2.523 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)no1 12028863 VMUWJDQTXDDGKF-ZDUSSCGKSA-N 378.226 2.989 0 40 GFAB COc1cc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc2c1OCCO2 17960964 CDTXKVJZGLDHDK-UHFFFAOYSA-N 384.432 2.760 0 40 GFAB COC(=O)C[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc(C)cc1 32821119 AHMLHGNOVRFMDA-SFHVURJKSA-N 393.443 2.516 0 40 GFAB COC(=O)/C=C1/CC[C@@H]2[C@@H](C(=O)C[C@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]23C)[C@@H]1C 4789753 CFNLOOTYKUBPGV-MCRWBSNISA-N 392.492 2.677 0 40 GFAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C 4859084 SFWSIBYMJWRVFR-UHFFFAOYSA-N 376.526 2.958 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 4888724 ORHOCSOUIYVFPX-UHFFFAOYSA-N 376.453 2.717 0 40 GFAB COc1cc(NC(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc(OC)c1 4929006 MBJPKWOIKGJZAD-VSOVRNOCSA-N 397.475 2.552 0 40 GFAB COc1ccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c1OC 4944829 JEJWYLZFUUQHOY-CYBMUJFWSA-N 381.384 2.995 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccc3)no2)cc1 4998422 NPWQCSMVSMGNCV-GFCCVEGCSA-N 386.433 2.735 0 40 GFAB COc1ccccc1C(=O)COC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 7732772 CLTUKPBYRKWIOV-NRFANRHFSA-N 383.444 2.805 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(C)nc2c1c(C)nn2C 32900046 BXIWTHXELAKLDZ-UHFFFAOYSA-N 395.463 2.695 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 102739076 UOFNANKYUKNOIX-UHFFFAOYSA-N 382.379 2.845 0 40 GFAB COC(=O)c1oc(CN2CCCc3c(NS(C)(=O)=O)cccc32)cc1C 52993070 IUDQCKQNIKTKFJ-UHFFFAOYSA-N 378.450 2.699 0 40 GFAB O=C(C[C@@H]1OC(=O)c2ccccc21)NC[C@@H](c1cccc(F)c1)N1CCOCC1 69407879 BJGNPMZASKLNBO-PMACEKPBSA-N 398.434 2.617 0 40 GFAB C[C@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc2c(c1)CCO2 61241900 AGCZGKPJICWFHZ-HNNXBMFYSA-N 377.444 2.977 0 40 GFAB C[C@H](OC(=O)CCNC(=O)Nc1ccccc1)C(=O)N1[C@@H](C)CCC[C@@H]1C 104099560 ODOHMMNLBCUYKJ-JYJNAYRXSA-N 375.469 2.919 0 40 GFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 25572117 TUMAHFHNHGDZAZ-QZTJIDSGSA-N 395.503 2.973 0 40 GFAB COc1cccc(C[C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 12661014 JKROYVBMPNATCP-WMZOPIPTSA-N 385.460 2.955 0 40 GFAB biogenic CCOc1ccc(-c2noc(CN3Cc4ccccc4C[C@@H]3C(=O)NC)n2)cc1 26917735 VYUKBRVBOIZEMC-LJQANCHMSA-N 392.459 2.808 0 40 GFAB CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)cc1 12607874 YZOOGKYQOQHTDU-HXUWFJFHSA-N 378.476 2.599 0 40 GFAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@@]12O 118912561 PVAMXWLZJKTXFW-FNALPNHTSA-N 390.520 2.575 0 40 GFAB in-vitro CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 10516556 FJWSWWYUBAHMLC-UHFFFAOYSA-N 388.367 2.788 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCO[C@H](C)C3)cc2)cc1C 11502618 HEDVOMJHETYMNA-MRXNPFEDSA-N 388.489 2.965 0 40 GFAB CCN(CC)CCCNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1 45802248 XTZKXHWLTCOBEB-UHFFFAOYSA-N 387.450 2.560 0 40 GFAB C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 48302690 PJQZDSNFFZLFLH-CYBMUJFWSA-N 385.851 2.859 0 40 GFAB CCOC(=O)[C@@H]1[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N1CCCC1 12859532 QVTZKRLAUGQJPH-RBSFLKMASA-N 398.381 2.692 0 40 GFAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)s1 12975471 UBEVDWRHUBGNLM-VIFPVBQESA-N 395.282 2.855 0 40 GFAB Cc1cccc(OCCNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 13234887 ZDFKRNREIUUUEB-IBGZPJMESA-N 381.432 2.850 0 40 GFAB O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)N1CCN2CCC[C@H]2C1 28235017 RHHAVWBNNZNRRC-HNNXBMFYSA-N 394.397 2.859 0 40 GFAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccc(C(N)=O)cc2)c1=O 28537484 RRCDITONDSXRFY-UHFFFAOYSA-N 399.451 2.932 0 40 GFAB O=C(NCc1cccnc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 6167886 IKYTVFBGYMMLIX-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB Cc1cccc(N2CCN(Cc3cccn3CCN3CCOCC3)CC2)c1C 6268114 JBTABYSEPTUJJX-UHFFFAOYSA-N 382.552 2.759 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)C1=O 4477295 WHMROHKWVCXQRL-OAQYLSRUSA-N 379.416 2.685 0 40 GFAB Cc1cc(O[C@H](C)C(=O)NCCCN(C)C)c2c3c(c(=O)oc2c1)CCCC3 5307524 QVCRERJKQUDJJG-OAHLLOKOSA-N 386.492 2.815 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc2)n1 14254061 VVLKODHIQNAGBB-UHFFFAOYSA-N 390.491 2.888 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 5403524 LETATUGUIGNKIY-XBXARRHUSA-N 399.399 2.670 0 40 GFAB C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C1 6600357 AJHAYGAHNGDQLT-NSHDSACASA-N 379.309 2.872 0 40 GFAB CCOC(=O)c1ccoc1Cn1nnc(-c2cccc(C(=O)OC(C)C)c2)n1 18664750 ZLMHAKZLODFIHP-UHFFFAOYSA-N 384.392 2.723 0 40 GFAB COc1cc(-c2nn3c(=O)c(-c4ccccc4)nnc3s2)cc(OC)c1OC 6757328 LYWYICZCPHTNFY-UHFFFAOYSA-N 396.428 2.906 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1C 4813676 MLFHKRHZIGAMHK-MRXNPFEDSA-N 394.537 2.853 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc(Cc3csc(C)n3)o2)cc1 5834982 BQAKFLUYGUBTRI-UHFFFAOYSA-N 390.490 2.842 0 40 GFAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)OC(F)(F)O2 5992442 LUNPVBSYKDVAMA-UHFFFAOYSA-N 378.118 2.510 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(F)cc1F 8980426 VHUXPXPNHDKCKF-FKIZINRSSA-N 387.386 2.609 0 40 GFAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(CCN4CCCC4)nnc3c12 8990744 KCRUTWAZJVOHHF-UHFFFAOYSA-N 392.488 2.867 0 40 GFAB Cc1noc(C)c1CCC(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7362796 YWGKFRUAQQHIEJ-CQSZACIVSA-N 399.447 2.920 0 40 GFAB COc1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 15858662 NXJKSAUYUVRECL-UHFFFAOYSA-N 388.445 2.650 0 40 GFAB CC[C@@H](C)Sc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1 9095496 VQKDDOCMLCVXNN-LLVKDONJSA-N 385.536 2.982 0 40 GFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-c2nc(-c3cccnc3)n[nH]2)cc1 71284317 LIKCKADIHDKXNY-GJZGRUSLSA-N 377.404 2.829 0 40 GFAB COc1cc(-n2c(C)nc3ccc(OC(C)=O)cc3c2=O)cc(OC)c1OC 94992984 QNZXBPUYIQUQEN-UHFFFAOYSA-N 384.388 2.645 0 40 GFAB CCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C(=O)O 95991854 GAOAZMWIJFYMGJ-CYBMUJFWSA-N 382.463 2.532 0 40 GFAB CN1CCN([C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)CC1 20150009 PQXMMIUUDJYQIZ-MVGZEHJDSA-N 376.715 2.760 0 40 GFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 409071306 GPQIMXRTPXUWEW-KEXZDQNZSA-N 386.223 2.753 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cc(C)cc(C)c2)CC1 32396384 OSRUBMYWHYBNJY-UHFFFAOYSA-N 389.496 2.551 0 40 GFAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1cccnc1 408704893 VFYMEYYORCTEGD-UHFFFAOYSA-N 381.457 2.840 0 40 GFAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccncc2)n1 35424912 ZEJVHEDXVJLWRX-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 409135218 VSFJJDNOJJNVKQ-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB O=C(c1ccc(N2C(=O)c3cncnc3C2=O)cc1)N1CC[C@@H](c2ccccc2)C1 408977912 ZEZNUCYSUQHUJM-QGZVFWFLSA-N 398.422 2.907 0 40 GFAB O=C(NCc1cccnc1)c1ncc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]21 306129123 HVCBCEUSPKROKP-MJGOQNOKSA-N 391.450 2.576 0 40 GFAB O=C1NC(=O)C2(CCN(C(=O)c3ccccc3F)CC2)[C@H]1c1ccc(F)cc1 72341595 MLZZWUGBMTWZEL-KRWDZBQOSA-N 384.382 2.627 0 40 GFAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 219081483 PNEQAPXUIRTCNI-LJQANCHMSA-N 390.505 2.735 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218429605 BXDKZJQBEPJDEQ-AOIWGVFYSA-N 393.892 2.849 0 40 GFAB CC(C)Oc1cccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 46663424 IXVJCENJOOGEBP-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 44885315 PMYGXSUGVVKQHR-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CCOc1cccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 225845557 FDBRJGCDRZPVLS-UHFFFAOYSA-N 380.441 2.625 0 40 GFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220293167 CWXMUWHFOBPJFS-AWEZNQCLSA-N 394.468 2.647 0 40 GFAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220585421 BVCOHIGXAVZHCB-KRWDZBQOSA-N 378.469 2.729 0 40 GFAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccc(F)cc1)C2 96050144 BZIGGYLHNBMFLW-JOCHJYFZSA-N 381.451 2.666 0 40 GFAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2O3)c(=O)n1C 95479236 MXBXEOPRYZFIMY-UHFFFAOYSA-N 390.399 2.723 0 40 GFAB CCOc1cc([C@@H](N)c2n[nH]c(CNc3cccc(OC)c3)n2)ccc1OC 95534407 JLTIUBRLVBNCQQ-LJQANCHMSA-N 383.452 2.881 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc(C)c1 96520919 BBYDFYHOFCYHDF-JTQLQIEISA-N 386.105 2.907 0 40 GFAB O=C(c1cnc2ccccc2c1)N1CCC[C@@]2(C[C@H](CN3CCOCC3)CO2)C1 96075562 BPEQGNLDTATMLY-WZONZLPQSA-N 395.503 2.578 0 40 GFAB O=C(c1ccccc1C(F)(F)F)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618256780 WXYMATGEORTBQL-UHFFFAOYSA-N 395.381 2.737 0 40 GFAB c1cc(CNC[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)ccn1 96269407 VXOCOYCDJJWWEE-SFHVURJKSA-N 392.459 2.795 0 40 GFAB biogenic,in-vitro COc1ccccc1-c1cc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)[nH]n1 96231549 MULKDXHKDWSLQQ-UHFFFAOYSA-N 375.388 2.585 0 40 GFAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(Br)cnc1Cl 42748725 PHYRYUWBTXCUMY-VIFPVBQESA-N 384.727 2.506 0 40 GFAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 257239798 HQUYLWTZHFBLHV-HNNXBMFYSA-N 390.509 2.738 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260839032 GXFVMMNZOAKCFZ-DFEHZGFQSA-N 380.510 2.545 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260888509 BBUDIBPANCBICU-OIPACUDHSA-N 380.485 2.531 0 40 GFAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 623133798 PLLYNZRSYUCUCH-ZHALLVOQSA-N 398.511 2.939 0 40 GFAB COC(=O)[C@H](CNC(=O)[C@@]1(c2ccccc2)CCCO1)Oc1ccc(F)cc1 1137961258 YYJLLYAXZRCTLK-RXVVDRJESA-N 387.407 2.568 0 40 GFAB COCc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1 656617015 YAOKMWYEKSBPFG-UHFFFAOYSA-N 380.491 2.600 0 40 GFAB CCNC(=O)c1ccc(C)c(NC(=O)c2cc(F)cc(N3CCOCC3)c2)c1 666511553 IHIHTKJUDXGMBH-UHFFFAOYSA-N 385.439 2.973 0 40 GFAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ncnc3ccsc23)CC1 666658541 FGVUWLCLQLZGND-UHFFFAOYSA-N 395.488 2.701 0 40 GFAB COc1cccc2sc(OC3CN(S(=O)(=O)c4cccs4)C3)nc12 90594399 AFOPQHHXTOEYTD-UHFFFAOYSA-N 382.488 2.818 0 40 GFAB Cc1nc(-c2ccco2)sc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 90593472 MQEUVVRIWHBUHF-UHFFFAOYSA-N 392.458 2.961 0 40 GFAB Cn1cnc2c(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)ncnc21 599445299 KEPQUPURTJACID-UHFFFAOYSA-N 376.386 2.704 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 585291737 BXDBNSLKTCGKDA-UEKDZROGSA-N 386.459 3.430 0 40 GFAB CCc1c(C)sc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)[nH]c(=O)c12 54752235 DTZWZARRVSARFB-UHFFFAOYSA-N 377.491 2.773 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1O 72393071 JIGYBDNBPLNGHC-QGZVFWFLSA-N 392.459 2.926 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)n2)cc1 5298129 BVWIKCVEAYRJIR-XCLFUZPHSA-N 395.467 2.507 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691786 PCFFHFGMZBUXOR-ZQIUZPCESA-N 396.390 2.661 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)cc1 17321570 HYFLRHLJQCVUCH-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB O=C(C1CCC1)N1CC[C@@H](c2nc(O)c3c(n2)CN(C2CCCCC2)CC3)C1 19014883 XFNYGJLWEDYEGC-MRXNPFEDSA-N 384.524 2.989 0 40 GFAB CC(C)N1CCc2nc3cc([C@H]4CCCN4C(=O)C(C)(C)C)nn3c(O)c2C1 19448107 NNHAUHCRPXYBKP-QGZVFWFLSA-N 385.512 2.911 0 40 GFAB COC[C@@H](C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 19456608 XUMKEBQFNJUXBD-CQSZACIVSA-N 376.428 2.971 0 40 GFAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)C)CCO1 19529207 UBKRPOCHZNUNMC-QHCPKHFHSA-N 395.503 2.681 0 40 GFAB Cc1cc(NC(=O)CN2CCC[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)no1 19688739 LXCJBPGRNJSKLA-QGZVFWFLSA-N 392.463 2.840 0 40 GFAB Cc1cc2cc(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)ccc2o1 19709262 ZNQKIUGOGPXQRT-KRWDZBQOSA-N 393.491 2.840 0 40 GFAB COc1ccc2[nH]c(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)c(C)c2c1 19714850 PBJGCVYOLQFYRC-UHFFFAOYSA-N 390.436 2.828 0 40 GFAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 19717348 YDMVCPRFAHWREZ-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB COCC(=O)N1CCC2(CCCCc3ccccc3O[C@H](C)C(=O)NC2)CC1 643564830 IRXJHPUXGKGTMR-QGZVFWFLSA-N 388.508 2.552 0 40 GFAB COCC(=O)N1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236793 PAKPTZKICUOCIO-DYESRHJHSA-N 381.476 2.746 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 19567001 UJDDBBFFRBJPCO-GFCCVEGCSA-N 376.434 2.832 0 40 GFAB COC(=O)/C=C/c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 28862509 DPDJZJNYBSGDHT-PGLKTIABSA-N 386.400 2.805 0 40 GFAB biogenic,in-vitro COc1nccnc1N(C)CC1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 1776009599 LLLAPPHLFXVVKH-LJQANCHMSA-N 396.491 2.554 0 40 GFAB CC(C)N1CCCC[C@]2(CN(C(=O)CCc3ccc(F)cc3)CCO2)C1=O 2037985606 PKEJKJNOUMJEJA-NRFANRHFSA-N 376.472 2.777 0 40 GFAB CN(C(=O)CCc1ccccc1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565523051 FBGKVEAWTUSUIO-UHFFFAOYSA-N 392.507 2.702 0 40 GFAB CCCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 4086661 BAPOSCQCJBJIDT-UHFFFAOYSA-N 386.524 2.543 0 40 GFAB Cc1ccccc1-n1c(C)cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 4250533 PZSUUGHSISDUIZ-UHFFFAOYSA-N 379.464 2.802 0 40 GFAB COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 9038791 TYWYNBGKTPTBAI-AWEZNQCLSA-N 399.447 2.887 0 40 GFAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(-c2cccs2)o1 10218364 OGVGQENKMRCFJY-UHFFFAOYSA-N 377.447 2.991 0 40 GFAB COC(=O)c1ccccc1NCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 40005734 OARFLJLARXEQBP-UHFFFAOYSA-N 383.448 2.565 0 40 GFAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCC(=O)N3CCOCC3)cn2)c1 40112491 UHVDGQVPAZMUAS-UHFFFAOYSA-N 397.475 2.746 0 40 GFAB C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCC1=CCCCC1 8667425 DDBSACOLIWFDAL-OAHLLOKOSA-N 398.459 2.611 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)c1 890970 ZVPPWAHZGQWNQZ-SFHVURJKSA-N 393.365 2.965 0 40 GFAB CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 1324729 BWWKJLSYNZXXGM-SFHVURJKSA-N 388.489 2.959 0 40 GFAB CC1CCN(S(=O)(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CC1 32759514 MGVCFDQOZNBEEB-UHFFFAOYSA-N 377.466 2.598 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(-n2cncn2)cc1 32736230 MCTJMCGVOQZUAD-LSDHHAIUSA-N 376.416 2.790 0 40 GFAB CCC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372932 SIXDUWJONJOOAE-ZDUSSCGKSA-N 398.415 2.537 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(NC(=O)[C@H](C)Oc3ccc(C)cc3)C(=O)[C@@H]21 102217376 DFFRHIGGYFKYAY-XYNXIRJESA-N 382.460 2.771 0 40 GFAB CCCn1c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nc2ccccc21 21597673 AZTLTPZHFLEKII-UHFFFAOYSA-N 397.479 2.982 0 40 GFAB COc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)cc1 4910056 YVZABHWPYSVCRX-UHFFFAOYSA-N 395.503 2.514 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCc3ccccc32)cc1 7359082 KQXFPYOZOXNGPI-HNNXBMFYSA-N 387.505 2.763 0 40 GFAB COc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc2c1OCCO2 18041646 OBGKYVGMTKREPH-UHFFFAOYSA-N 384.432 2.794 0 40 GFAB CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 10247399 ULFBVQUTGZORLJ-UHFFFAOYSA-N 384.461 2.790 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 32910213 MZKDGZXJSUTIOU-ZDUSSCGKSA-N 375.384 2.666 0 40 GFAB Cc1cn2c(=O)c(S(=O)(=O)NCc3ccccc3Cl)c(C)nc2s1 8589453 PHEIQIWFHMSFOH-UHFFFAOYSA-N 383.882 2.505 0 40 GFAB Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccc4c(c3)OCO4)ccc12 12249751 VPWNRJHUSMTLFF-UHFFFAOYSA-N 383.429 2.747 0 40 GFAB CC(=O)Nc1cccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c1 51315205 FHDMIRIJRUSNQW-UHFFFAOYSA-N 381.344 2.781 0 40 GFAB CCOc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 47553015 SJUDSOLXRFLJSH-UHFFFAOYSA-N 399.466 2.693 0 40 GFAB O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCCN(Cc2ccccc2)CC1 53179233 VWZUWAWEIPQVAN-OAQYLSRUSA-N 395.478 2.913 0 40 GFAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(c2nccs2)CC1 23042849 GMJPGOQPTWISPK-UHFFFAOYSA-N 378.306 2.961 0 40 GFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 104664572 MOKWGMNWZRTYRF-SOUVJXGZSA-N 396.484 2.611 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 23536576 WBKYQXYETCRBKE-NRFANRHFSA-N 397.862 2.692 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1ncnc2ccccc12 23543563 WBQNJWYBGFEKES-UHFFFAOYSA-N 396.472 2.794 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCCSc1nnnn1-c1ccccc1 3267156 YLCBIBDJLRURPD-UHFFFAOYSA-N 379.445 2.831 0 40 GFAB CC[C@]1(C)CC2=C(CO1)S[C@H]1N=NN(CC(=O)Nc3nccs3)C(=O)[C@@H]21 105106776 VQINPRLEKIENQI-WOSRLPQWSA-N 393.494 2.823 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)C4[C@H]5CCCC[C@H]45)CC3)ncc2C1 100748729 CVZMVCJRXMOZEM-ROUUACIJSA-N 382.508 2.523 0 40 GFAB Cc1ccc(NCCOc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 12607143 CFLFZZGCAMACCI-UHFFFAOYSA-N 394.468 2.646 0 40 GFAB Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c(=O)[nH]1 24771736 QWVYELCUMKXHOL-GOSISDBHSA-N 399.882 2.612 0 40 GFAB CC(C)[C@H](C(=O)Nc1cccc(N2CCOCC2)c1)N1C[C@H](C)O[C@H](C)C1 106153917 GDITXNYTDJZPEC-FUHIMQAGSA-N 375.513 2.596 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C 24989440 PVPXYCFOCWRKHO-JXSMBQFASA-N 395.569 2.987 0 40 GFAB CC(C)CN1CC[C@H](CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C1 107361526 LZIVSHNPXFMHFQ-KZNAEPCWSA-N 389.544 2.795 0 40 GFAB CN1CCCc2ccc(S(=O)(=O)N3C[C@H](N(C)C)Cc4ccccc43)cc21 79061132 XDDBKILIJNWMLS-GOSISDBHSA-N 385.533 2.751 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1C 108759491 ATRUZRIRUSQOND-UHFFFAOYSA-N 385.445 2.827 0 40 GFAB Cc1noc(C)c1CCC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 58167765 RIJWDJXTWJIPJW-CQSZACIVSA-N 388.487 2.992 0 40 GFAB O=c1cc(N2CCN(CCOc3ccccc3Cl)CC2)nc2ccccn12 12798933 RYHRZENVHSXXPD-UHFFFAOYSA-N 384.867 2.549 0 40 GFAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 58250436 QPAMTOXNFYSDPS-NEPJUHHUSA-N 376.316 2.708 0 40 GFAB CCC(CC)NS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2)c1 2170934 YBCHFZGVJLFKJV-UHFFFAOYSA-N 390.505 2.962 0 40 GFAB C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCCCC1 58405532 JAKCPTIFMQUYSZ-CVEARBPZSA-N 380.483 2.965 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2occc2n1Cc1ccccc1Cl 36358109 ICGZAFTYSCKYIZ-CYBMUJFWSA-N 392.864 2.853 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCC2)cc1Cl 408555941 XWZYPKZJZRXWQT-LBPRGKRZSA-N 388.917 2.854 0 40 GFAB C[C@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CC1 12890525 DWSQRJUTLJYCFN-ZDUSSCGKSA-N 394.518 2.867 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C 8770542 JMPAIBMAAPIQTC-PKOBYXMFSA-N 395.459 2.964 0 40 GFAB Cc1cccc(OCCN(C)Cn2ncc3cn(-c4ccccc4)nc3c2=O)c1 62581067 QUVAWAMXOTUBHA-UHFFFAOYSA-N 389.459 2.859 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC 3587828 CAYRDHTXNRZCQG-UHFFFAOYSA-N 389.404 2.900 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc(OC)c1OC 3544609 DLHYQEOQGNETNR-CYBMUJFWSA-N 385.416 2.847 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NCCCOC 13683419 MGUZMWWTBIKGNH-UHFFFAOYSA-N 397.541 2.644 0 40 GFAB COc1cccc(C2=NO[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)C2)c1 5029613 WDCRREJBGGCOQW-FQEVSTJZSA-N 384.432 2.564 0 40 GFAB biogenic C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O 14068475 CSCKNYSRLJKTRZ-YLJYHZDGSA-N 383.473 2.674 0 40 GFAB CCc1ccc(C(=O)COC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 6560197 AZRJQAWLBRXBIV-UHFFFAOYSA-N 387.476 2.784 0 40 GFAB O=C(c1ccc(Br)cc1)[C@@H](C(=O)N1CCCC1)n1ccccc1=O 4690302 ICGVKOXNNZOZNY-INIZCTEOSA-N 389.249 2.657 0 40 GFAB CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)c2ccccn2)CC1=O 14533483 PYUZCIITQQYIIX-IBGZPJMESA-N 399.466 2.747 0 40 GFAB O=C(/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1)N1CCOCC1 6649098 YVMVSERCRHBHNJ-DTQAZKPQSA-N 391.427 2.734 0 40 GFAB COc1cccc(C(=O)c2cnc3sc(C(=O)NC[C@@H]4CCCO4)c(C)n23)c1 6664967 HEZKZTLCJGEBSZ-HNNXBMFYSA-N 399.472 2.853 0 40 GFAB CCOC(=O)CN(CCOC)C(=O)CCc1ccc(OC(F)(F)F)cc1 66311112 QLPJGAQYBQVOHC-UHFFFAOYSA-N 377.359 2.556 0 40 GFAB O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 9501194 GGQVPOUVVMQGIM-MRXNPFEDSA-N 386.473 2.909 0 40 GFAB COC(=O)/C(=C\Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 67340369 SLCCVCBGYZFRRV-SFQUDFHCSA-N 377.418 2.604 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1C1CC1 7807299 CIHDXRSXWSOFDG-CQSZACIVSA-N 394.427 2.850 0 40 GFAB CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CC[C@H](C)C2 19797094 AXDYIWZNBUYMEA-LBPRGKRZSA-N 381.567 2.994 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 20483046 ZDVNWVKJCNGJHH-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB COc1ccc(CN(C(=O)Cn2c(C)nc3ccccc3c2=O)C2CC2)cc1 8510136 BNDXROVNQDWLQN-UHFFFAOYSA-N 377.444 2.905 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3cccc(Cl)c3)C2=O)cc1 8502719 XRBSXYMNUAXKEY-NRFANRHFSA-N 399.878 2.774 0 40 GFAB C[C@@H](CNC(=O)c1cccnc1Nc1cccc(F)c1)CN1CCN(C)CC1 72283837 ZHHAZRPPOBYSJY-INIZCTEOSA-N 385.487 2.578 0 40 GFAB Cn1cc(/C=C/C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cn1 29285631 VYJLQDZGENCKFM-QPJJXVBHSA-N 394.397 2.676 0 40 GFAB COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)sc1CC(C)C 72405367 LKEWWHLIBNEDEG-CYBMUJFWSA-N 387.461 2.942 0 40 GFAB Cc1cc(C)c(OC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c(C)c1 95953156 VWRKEQNIOPSJGS-UHFFFAOYSA-N 380.448 2.909 0 40 GFAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](CCCO)c1ccccc1 89740987 VDXAPIYOQQVROA-UXHICEINSA-N 397.454 2.534 0 40 GFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)C1CC1 67896508 QQEAOYUYCIIWFT-TZIWHRDSSA-N 398.434 2.635 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 408555484 XERQGOBEOWAVQY-QWHCGFSZSA-N 396.896 2.893 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC1CCCCCCC1 28207570 LNBKBVHWUQVYSZ-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc2c(c1)OCCO2 35598219 WWALLBXOJKPVNU-OAHLLOKOSA-N 381.388 2.577 0 40 GFAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 223992304 IQQPVHKABSXEIR-UHFFFAOYSA-N 394.518 2.976 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 225705166 RVNJEVBDHAMVFB-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](N2C(=O)COC2=O)C1 225700382 LMYMVCLVTONBMM-CYBMUJFWSA-N 378.384 2.504 0 40 GFAB C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(S(C)(=O)=O)cc1 44857170 HSPNALJMZPAWQQ-OAHLLOKOSA-N 383.473 2.826 0 40 GFAB COc1ccc(C(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC 85879326 FZJMGSTUYLWDGJ-UHFFFAOYSA-N 397.427 2.959 0 40 GFAB biogenic O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccccc1 224275531 BKAJSGSCKSMPNA-UHFFFAOYSA-N 395.488 2.604 0 40 GFAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 225085688 CQTZPKPUEZSPIL-HNNXBMFYSA-N 386.473 2.996 0 40 GFAB COC(=O)C[C@H](c1cnn(C)c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F 96232274 GVFHBFWZQVRTAI-LLVKDONJSA-N 394.353 2.552 0 40 GFAB CCCCS(=O)(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96080388 RXRLSSOCGSWSME-HXUWFJFHSA-N 387.505 2.747 0 40 GFAB COCCn1cc(CCC(=O)Nc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21 95479542 ASHKVXGTGMTTTQ-KRWDZBQOSA-N 383.452 2.829 0 40 GFAB Cc1cc(OC2CN(S(=O)(=O)c3ccccc3Cl)C2)cc(=O)n1C1CC1 244969021 GUILWSYWLMQEHN-UHFFFAOYSA-N 394.880 2.597 0 40 GFAB COc1ccc(C(=O)N2CC3(CC[C@@H](CN4CCCCC4)CO3)C2)cc1F 248147390 UGWOVKKLQMEYSE-INIZCTEOSA-N 376.472 2.941 0 40 GFAB NC(=O)CC1(COc2cccc(Cl)c2)CCN(C(=O)c2cncs2)CC1 257323676 WLJMUGLQDJMOAY-UHFFFAOYSA-N 393.896 2.973 0 40 GFAB CCN(CC)C(=O)CN1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257220096 DJMQBEDMKAWMQO-KRWDZBQOSA-N 387.459 2.601 0 40 GFAB Cc1ccc(OCC2(O)CCN(CC(=O)NCCc3ccccc3)CC2)c(C)c1 257314237 UVZIJBHGYNXESA-UHFFFAOYSA-N 396.531 2.868 0 40 GFAB COc1ccc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(OC)n1 620813275 WUEQANQNMAZYJR-UHFFFAOYSA-N 390.465 2.587 0 40 GFAB CCC[C@@H]1CCc2c(sc(=O)n2Cc2nnc([C@@]3(OC)CCOC3)o2)C1 643646603 ZUYPHVUOIMCTFV-KZULUSFZSA-N 379.482 2.508 0 40 GFAB CC(C)(C)NS(=O)(=O)Cc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 656254607 HZTWBTDNXMMJJF-LJQANCHMSA-N 395.569 2.570 0 40 GFAB Cc1nnc2n1C[C@H](C(=O)NCC1(c3ccccc3Br)CC1)CC2 676819031 YSDIVDVCCPDQKY-CYBMUJFWSA-N 389.297 2.759 0 40 GFAB Cc1cc(C(=O)NCc2cccc(N3CCOCC3)n2)c(C)n1CC(F)(F)F 681311096 NKVWHXZWOOJFMH-UHFFFAOYSA-N 396.413 2.829 0 40 GFAB O=C(CC1(C(=O)O)CCC1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 473398387 HRKAZJIPBKZDHL-UHFFFAOYSA-N 388.508 2.519 0 40 GFAB CCC1(N2CCOCC2)CCN(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 685939068 KTJZQFGLFZSMKN-FUHWJXTLSA-N 375.916 2.978 0 40 GFAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1c[nH]c(=O)c(Br)c1 78878120 GMRCHUSULSVABO-UHFFFAOYSA-N 387.193 2.972 0 40 GFAB CCn1ccc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)n1 11738215 BITRANFIWBZLDN-UHFFFAOYSA-N 377.420 2.753 0 40 GFAB CCN(CC)CC[C@H]1CN(C(=O)Cc2ccc(OC)cc2)CC[C@H]1CC(=O)O 12480649 HYJUVTMMOSRDLO-OALUTQOASA-N 390.524 2.909 0 40 GFAB biogenic,in-vitro NS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)CCCCCC3)cc1 12774641 BGHNRUYXCSEZPS-UHFFFAOYSA-N 378.519 2.985 0 40 GFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 13632243 OKMZSJMVRJXPAI-UHFFFAOYSA-N 376.434 2.931 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 14232937 IYYUIKQFGCQBHK-HNNXBMFYSA-N 376.478 2.502 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1c1ccnc2ncnn12 19134309 PBPGTPZGXXORJD-OAHLLOKOSA-N 381.436 2.574 0 40 GFAB COc1cccc([C@H](NS(=O)(=O)c2ccc(C)s2)c2nccn2C)c1 19217292 JEYAEFRNWAFUHK-INIZCTEOSA-N 377.491 2.867 0 40 GFAB Cc1ccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365939 GPBMMKKNJWTVGV-GOTSBHOMSA-N 394.515 2.952 0 40 GFAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2nn(C)cc2Cl)c(C)n1 19524659 BCQXYSHVDHBYBZ-CQSZACIVSA-N 385.921 2.904 0 40 GFAB Cc1nccn1C[C@H]1CCCN(CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 19657948 VTMWOZNBGLERHD-SFHVURJKSA-N 378.480 2.728 0 40 GFAB CCc1ncc(CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cn1 12365523 FVIVKKJZAGSSFG-UHFFFAOYSA-N 380.492 2.815 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1 3222412 HNKYWEACRMRJIQ-LFYBBSHMSA-N 384.432 2.965 0 40 GFAB O=c1c2ccccc2n(Cc2nc(-c3ccccc3F)no2)c(=O)n1C1CC1 1889280233 WDQNEVINONWHOZ-UHFFFAOYSA-N 378.363 2.736 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H](C)O[C@@H](C)C1 20925619 JYQRAOVQVWWAHK-XEZPLFJOSA-N 384.929 2.827 0 40 GFAB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1-n1cnnn1 25147995 IHHYXBAIYCCUPG-DYVFJYSZSA-N 376.420 2.818 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 32933111 CVOGSAMEJQPCEA-GOEBONIOSA-N 390.509 2.506 0 40 GFAB COc1ccc(O[C@H]2C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc3c(c2)OCO3)cc1 4686288 XDGXKYVFNMZNRW-IOMROCGXSA-N 397.427 2.934 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Nc3cc(F)ccc3F)CC2=O)cc1OC 5202175 CRRQQQQHGWOXJP-GFCCVEGCSA-N 391.374 2.909 0 40 GFAB CCOc1ccccc1NC(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9065665 BJPUONYGKKJZRK-CQSZACIVSA-N 397.431 2.989 0 40 GFAB CCC(=O)N[C@@](Nc1nc2ccc(C)cc2s1)(C(=O)OC)C(F)(F)F 9111252 CKCFPCZAXNOESO-CQSZACIVSA-N 375.372 2.974 0 40 GFAB COc1cc(C(=O)Nc2c(C)nc3c(C)cccn3c2=O)cc(OC)c1OC 9617366 REHCZNBAKVMPEU-UHFFFAOYSA-N 383.404 2.589 0 40 GFAB Cc1ccc(C(=O)N2CCC(F)(F)[C@@]3(CCN(c4ncc(F)cn4)C3)C2)cn1 2055806552 CLAOZNSINALUQN-SFHVURJKSA-N 391.397 2.697 0 40 GFAB COCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 101281972 YRMWKQGXBBUQPI-UHFFFAOYSA-N 390.443 2.893 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(-n2cnc3ccccc32)cc1 10428376 HHBLNVMMYYNREP-UHFFFAOYSA-N 396.410 2.769 0 40 GFAB CC(=O)NCCc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1F 30447652 CKZZILNAWYZOGO-UHFFFAOYSA-N 375.469 2.793 0 40 GFAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1 40267935 BLEPBBORYDLFMN-GOSISDBHSA-N 395.394 2.910 0 40 GFAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nnc(C)s1 40268487 XDQNPKXESXLXRW-IBGZPJMESA-N 399.476 2.564 0 40 GFAB Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)no1 31662535 MQYGNHDURFCUPR-UHFFFAOYSA-N 382.342 2.992 0 40 GFAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c(C)c1 932462 ZXOYLLDUGWVQMM-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB O=C1c2ccccc2N[C@H](c2cccnc2)N1NS(=O)(=O)c1ccccc1 1441644 BMULPXHDHLFNIX-SFHVURJKSA-N 380.429 2.542 0 40 GFAB CCCn1c(=O)n(CCC(=O)Nc2nc3c(s2)CN(C)CC3)c2ccccc21 32836066 QPXIXJBELBKIKV-UHFFFAOYSA-N 399.520 2.686 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@H](C)NC(=O)c1cccs1)O[C@@H](C)C2 32869202 SQFYRAILDQLCOQ-STQMWFEESA-N 388.489 2.905 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1 4161487 HYLZNWBWWPNGBV-UHFFFAOYSA-N 388.449 2.924 0 40 GFAB CC(=O)NCCc1nc2cc(NC(=O)COc3cccc(C)c3)ccc2n1C 4906235 RPYFWLLMUAHEMD-UHFFFAOYSA-N 380.448 2.578 0 40 GFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OC 6960341 DGWIJFLIGNHGTJ-LFIBNONCSA-N 390.461 2.753 0 40 GFAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 6968745 PTQYJOKBMVYDBZ-UHFFFAOYSA-N 390.530 2.864 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 2773317 CKDFZWUPIIFNGT-UHFFFAOYSA-N 394.452 2.888 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3N3CCCN23)cc1 101170924 SCRCIPFKSPGKPH-CEXWTWQISA-N 397.862 2.884 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3sccc3c(=O)n2C)c1C 22121156 INGZUSYXHNAHQC-UHFFFAOYSA-N 391.474 2.702 0 40 GFAB Fc1ccc([C@H](CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)N2CCOCC2)cc1 103253635 YEABGOAQHOLJOV-WQCNXYOZSA-N 377.529 2.852 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1C 55949263 GPFQLQWLHBNMGD-UHFFFAOYSA-N 379.478 2.850 0 40 GFAB C[C@@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)[C@H]1CCCO1 46972668 UVALEYCOGGVZMK-OXQOHEQNSA-N 381.476 2.875 0 40 GFAB COc1ccccc1[C@H](CNS(=O)(=O)c1ccccc1F)N1CCCC1 47032294 DKGPBYPZNQAPPB-KRWDZBQOSA-N 378.469 2.950 0 40 GFAB O=C(NCc1nnc2ccccn12)c1cccc(OCc2cn3ccccc3n2)c1 22740352 KRAXKHDBKDLGIE-UHFFFAOYSA-N 398.426 2.886 0 40 GFAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2O1 24834311 PZHFFPIOQBDKFH-IBGZPJMESA-N 394.452 2.795 0 40 GFAB COc1ccc(CCN(C)S(=O)(=O)c2ccc3c(c2)CCO3)cc1OC 57524930 ZXUJHABIYDJASR-UHFFFAOYSA-N 377.462 2.502 0 40 GFAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 25323522 NSZAKNMBWWVWHX-UHFFFAOYSA-N 397.475 2.592 0 40 GFAB CN(CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccccc1N1CCCC1 12523474 XIDJBXHAEHTKLE-IBGZPJMESA-N 395.503 2.675 0 40 GFAB C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccc(C(F)(F)F)c1 79056640 HAWXTJORQFITJX-SNVBAGLBSA-N 390.383 2.839 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc(-c2ccccc2)c[nH]1 58295439 ITEKSTLWHPGBEE-NVXWUHKLSA-N 376.464 2.961 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 58201473 ANHDOMDAWSOPQG-UHFFFAOYSA-N 378.881 2.706 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccn(C)n2)cc1 58282563 ASMVMISMXBLVDI-UHFFFAOYSA-N 376.463 2.843 0 40 GFAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2145685 VOUYORCKYNDAJI-ZXFNITATSA-N 392.249 2.687 0 40 GFAB biogenic COc1ccc(/C=C/C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)cc1 2362399 OJHDFCWUZDGGNU-KQPPXVQYSA-N 389.415 2.870 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1cccnc1Cl 3397286 XGLKGZFBGVDRRN-UHFFFAOYSA-N 389.839 2.551 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(-c2nnco2)cc1 3436746 OYPJDSMLFRDTGI-UHFFFAOYSA-N 378.388 2.879 0 40 GFAB CCCc1cc(C(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)n(C)n1 17197623 YUYPTUAHUWEPEK-UHFFFAOYSA-N 390.509 2.551 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 3593702 DMGZGBRZLCSSCW-LJQANCHMSA-N 377.872 2.804 0 40 GFAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4cccc(C)c4n3)C(=O)[C@@H]2C)cc1 12981093 AFOFOLXATDFVEK-HNNXBMFYSA-N 376.416 2.669 0 40 GFAB COc1ccc(-c2noc(Cn3cnc4cc(F)ccc4c3=O)n2)cc1OC 12997699 ATNQOVDCBHASPI-UHFFFAOYSA-N 382.351 2.651 0 40 GFAB O=C(CN1CCC[C@@H](O)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 39519525 GGVRKMWAMRYZOO-MRXNPFEDSA-N 387.867 2.988 0 40 GFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 17742176 GDRFIBDYGMYVBE-UHFFFAOYSA-N 390.392 2.794 0 40 GFAB CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986087 QDJWCIPGKYNPKB-QGZVFWFLSA-N 394.880 2.741 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccnc(-n3cccn3)c2)C[C@H](c2ccccc2)O1 67591817 KZXUPRGRCYMGQR-QFBILLFUSA-N 377.448 2.939 0 40 GFAB CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1 65613785 PKLBWRLBOQWRLY-UHFFFAOYSA-N 383.414 2.522 0 40 GFAB CCCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 14246909 CRIXJDDNCXFVBU-UHFFFAOYSA-N 392.459 2.804 0 40 GFAB C/C=C/c1ccc(OCC(=O)Nn2c(C)nc3sccc3c2=O)c(OC)c1 18231689 ONXZHPRZHMTFPI-SNAWJCMRSA-N 385.445 2.957 0 40 GFAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)c1ccc2c(c1)CCC2 5754532 HNPSJHTZQULULH-CYBMUJFWSA-N 376.412 2.769 0 40 GFAB CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 67209824 LMPWBWUREZOCTI-GOSISDBHSA-N 392.434 2.505 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccccc4)ccn3n2)cc1 9321128 HTZVYSDGIHDSHF-UHFFFAOYSA-N 386.455 2.830 0 40 GFAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2COc3ccccc32)C1 84247968 XTLFWVMQUWISSB-WBVHZDCISA-N 380.448 2.884 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408589761 FKHSXDMRPLZAEP-AWEZNQCLSA-N 392.477 2.569 0 40 GFAB COCCN1c2ccccc2C2(CCN(Cc3ccccc3)CC2)S1(=O)=O 306131629 KKOIIYCOEPHBQK-UHFFFAOYSA-N 386.517 2.974 0 40 GFAB O=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F 56997630 LRPMNKFVJIWGPI-UHFFFAOYSA-N 397.903 2.580 0 40 GFAB O=C(Cc1ccccc1OC1CCCC1)N1CCC(Nc2cccnn2)CC1 556706854 JAAMJJICRZHAAS-UHFFFAOYSA-N 380.492 3.444 0 40 GFAB O=C(NCCc1ccccn1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 79477330 BIZRJVAKTBUNHJ-UHFFFAOYSA-N 390.487 2.957 0 40 GFAB O=c1c(N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)nccn1C1CC1 565814750 IPKKHUQZTBDESF-ZDUSSCGKSA-N 383.402 3.147 0 40 GFAB C[C@H](NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 70640186 BPPJVJBGQLPZLI-LRDDRELGSA-N 380.366 2.732 0 40 GFAB CCN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C 79393318 DBYWCRSHESOZFO-OALUTQOASA-N 375.513 2.867 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38834326 NJDZYSKBJXGPAW-SFHVURJKSA-N 390.461 2.641 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCCOC 216246725 DNKSNHUJFJMGLY-IBGZPJMESA-N 386.448 2.868 0 40 GFAB CN1CCOc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)cc2C1=O 49508095 MHNUSAGGJUSPNZ-UHFFFAOYSA-N 380.379 2.933 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cn(-c3cc(C)cc(C)c3)nn2)CC1 71765028 BGMIRWCMCAXXCG-UHFFFAOYSA-N 391.475 2.855 0 40 GFAB COc1cccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c1OC 44836677 MOEQMNFXFMNEQI-UHFFFAOYSA-N 384.344 2.840 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)ccc1C 224108465 DOGHMJWBSYVMCF-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1cccc2ccccc12 226039755 HJCCQTKUDVEFDH-UHFFFAOYSA-N 396.512 2.960 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222463786 YESZHSLJDRZHNR-MRXNPFEDSA-N 390.505 2.897 0 40 GFAB CCOc1ccc(S(=O)(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1C 222996314 UIIMXZBGCPRPTJ-SFHVURJKSA-N 391.445 2.523 0 40 GFAB Cc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 224051385 PZXKGRMDWMWEEX-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)C(=O)Nc1ccccc1Cl 77099749 PCKZDPNREKPVGK-UHFFFAOYSA-N 389.839 2.540 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)NCCc3ccc(OC)cc3)ccc21 225688290 JMFIAVACNGJXIK-UHFFFAOYSA-N 392.502 2.613 0 40 GFAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O 224973895 BCYVIKXYYPNIFV-ZDUSSCGKSA-N 388.530 2.772 0 40 GFAB CCc1ccc(CC)c(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 223419736 YBEOKSDACOQRQV-UHFFFAOYSA-N 396.538 2.736 0 40 GFAB COc1ccc(CN(C)C(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 223039578 PAPGTLFUQFDIJV-UHFFFAOYSA-N 383.473 2.916 0 40 GFAB CC[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 225737721 OAMMQPYTEKSWSQ-IBGZPJMESA-N 390.505 2.724 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)NC1CCCCC1)C2 96238218 XSVXGZAMBWLHEI-IBGZPJMESA-N 376.526 2.513 0 40 GFAB O=C(CN1Cc2ccccc2C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 96223630 KYGINULLPMKFFU-UHFFFAOYSA-N 384.863 2.806 0 40 GFAB COc1ccc(CCc2n[nH]c(NC(=O)c3csc(NC4CC4)n3)n2)cc1 95478098 VOPBSBUKQXIXOY-UHFFFAOYSA-N 384.465 2.882 0 40 GFAB CN1CCN(C(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CC1 257316137 VEHTZJMSGCADIV-UHFFFAOYSA-N 379.504 2.862 0 40 GFAB CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4ccnc4C)[C@@H]3O)ccc21 257220086 DJLRHRIIEMWOAC-VAMGGRTRSA-N 381.480 2.706 0 40 GFAB O=C(Cn1cc(C2CC2)cn1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 667836248 LBIMAEIILCIDAX-UHFFFAOYSA-N 376.464 2.952 0 40 GFAB COc1cc(CC(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)ccn1 613298301 RBONNXHDQPUWNM-QGZVFWFLSA-N 377.448 2.824 0 40 GFAB O=C(COc1ccccc1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 585105047 ODYRVBBCUMZVMV-SFHVURJKSA-N 377.506 2.595 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](Oc2ccncc2)C1 151164313 DXLCWIGXYOROQV-NSHDSACASA-N 389.296 2.748 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977999 MILFXORZLDLPSB-INIZCTEOSA-N 391.518 2.777 0 40 GFAB CC(C)[C@H](N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 11100367 RWHBDYQWHUDPTJ-KSSFIOAISA-N 375.494 2.648 0 40 GFAB Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1S(N)(=O)=O 12816371 FLALMRROQLOVGF-UHFFFAOYSA-N 393.515 2.983 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 12865689 QYYBSFVWDOJEEL-LLVKDONJSA-N 375.787 2.570 0 40 GFAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1 16756003 UUQQRQHLTHXJRZ-UHFFFAOYSA-N 397.508 2.631 0 40 GFAB COc1c(C)cccc1CN1CC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 19235919 JPEZZPFTMQJJPW-SFHVURJKSA-N 380.492 2.688 0 40 GFAB CCN(CC)S(=O)(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19526466 MDYBVRSZIQPJJL-VAMGGRTRSA-N 379.570 2.915 0 40 GFAB Cc1nn(C)cc1CN1CCc2nc3cc(-c4ccoc4C)nn3c(O)c2C1 100141755 ZYDFFZKUJVYKOG-UHFFFAOYSA-N 378.436 2.604 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)c3ccn(C)n3)c2-c2cccs2)on1 13226749 UGYITIQXFOFSFM-UHFFFAOYSA-N 382.449 2.739 0 40 GFAB Cn1cnc(-c2ccc(C(=O)N3CCNC[C@H]3c3ccccc3Cl)cc2)n1 574150576 HXSVWNODRBKTCB-SFHVURJKSA-N 381.867 2.922 0 40 GFAB O=C([C@H]1COc2ccccc2C1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888876435 MFQFWKUULSSWEG-MAUKXSAKSA-N 379.460 2.833 0 40 GFAB O=C(c1cc(Br)ccc1O)N1CCN(c2ccccc2O)CC1 28813032 AJEVPFWTABTSFU-UHFFFAOYSA-N 377.238 2.823 0 40 GFAB Cc1nc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cs1 2037977784 HFUGXLMWVKJKFR-IBGZPJMESA-N 375.469 2.989 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1cccs1 4690003 NMXONPPHSCEMLU-AWEZNQCLSA-N 387.314 2.632 0 40 GFAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc4nsnc34)cn2)cc1 49343580 BHURNDFWWUVRNS-UHFFFAOYSA-N 393.428 2.562 0 40 GFAB CSc1nc(C)cc(N2CCN(c3ccc(Br)cn3)CC2)n1 2298042705 QFYFCXPKNDJVFY-UHFFFAOYSA-N 380.315 2.991 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC1CCN(Cc2ccccc2)CC1 40160872 DKPNBLHKEGXBMD-FQEVSTJZSA-N 383.492 2.815 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 2635973 SJQMWZYSAQSCLE-UHFFFAOYSA-N 390.486 2.891 0 40 GFAB C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 2642987 CUGPQZNLQBNERM-LPZVBRGNSA-N 397.383 2.770 0 40 GFAB COc1ccc([C@H](CNCc2ccc(OC)cc2OC)N2CCOCC2)cc1 32735849 VQRDYJXAHBBVOE-NRFANRHFSA-N 386.492 2.876 0 40 GFAB COc1ccc([C@H](CNC(=O)COc2ccccc2OC)N(C)C)cc1OC 2626561 CJMDFGCJUDSLRG-INIZCTEOSA-N 388.464 2.510 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 46673568 PXHHOKXLZGLMTP-KDOFPFPSSA-N 395.459 2.909 0 40 GFAB C[C@@H](OC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)C12CC3CC(CC(C3)C1)C2 103325781 BFYDXDCBJXAKBM-FFEGQEQNSA-N 399.487 2.655 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3nc4ccccc4s3)CC2)no1 22775881 QBWJYMLXKRCHEL-CQSZACIVSA-N 385.493 2.738 0 40 GFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)C2CC2)CC1 9386112 NMTPCLASNBYJHX-GORDUTHDSA-N 390.867 2.595 0 40 GFAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104669970 KXJPJZIZSNDIMK-LTIDMASMSA-N 397.475 2.857 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 100421583 UHHOZHBNHLXTDL-XWQURZDVSA-N 392.455 2.685 0 40 GFAB O=C(NCCc1cn2ccccc2n1)C1CCN(C(=O)c2cccs2)CC1 12549839 CYRWBGYFSAIREK-UHFFFAOYSA-N 382.489 2.607 0 40 GFAB CCOc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OC 57416403 WXCFILGQMZYMEZ-INIZCTEOSA-N 398.459 2.772 0 40 GFAB CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)N4CCSCC4)c3)c2)n1 65251012 XDBDTLRMRBRQAN-UHFFFAOYSA-N 398.492 2.804 0 40 GFAB O=C(NCCCN1CCOCC1)c1ccc(COc2ccc(Cl)cc2)o1 27975071 AEGHVHBCRIGGJA-UHFFFAOYSA-N 378.856 2.964 0 40 GFAB CC(C)(C)OC(=O)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 58424207 WKZBROLHTBNDMK-UHFFFAOYSA-N 376.425 2.740 0 40 GFAB COc1ccc(N2C(=O)[C@](NC(=O)c3cccs3)(C(F)(F)F)N=C2O)cc1 2373499 XEPPLBSFZABMGH-OAHLLOKOSA-N 399.350 2.706 0 40 GFAB CN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464355 ODDBVAWQVUIJTI-HOTGVXAUSA-N 392.415 2.641 0 40 GFAB biogenic,in-vitro O=C(NCCCOc1ccccc1F)N[C@H]1CCS(=O)(=O)c2ccccc21 48254054 JQIJRRZJZLATAA-INIZCTEOSA-N 392.452 2.813 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 2435272 PNRVFMCIFSAMPZ-UHFFFAOYSA-N 377.462 2.850 0 40 GFAB CCN(CC)[C@H](CNC(=O)CSc1nccn1C)c1cccc(OC)c1 48311151 LKRRYNNECGJWKO-QGZVFWFLSA-N 376.526 2.720 0 40 GFAB O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccnc(-n2ccnc2)c1 48362683 QFHFNBAIKXIWPK-UHFFFAOYSA-N 399.454 2.857 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCc3ccc4c(c3)OCCO4)c12 12802558 OLICPLDWRINQAX-UHFFFAOYSA-N 392.459 2.898 0 40 GFAB O=c1oc(-c2ccc(F)cc2)nn1CN1CCC(c2nnc3ccccn23)CC1 12890079 LFZMHLYWJKNPMB-UHFFFAOYSA-N 394.410 2.522 0 40 GFAB O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)N1CCC[C@H]1CO 12901928 OHQIUFCUXNOCJT-KRWDZBQOSA-N 379.412 2.822 0 40 GFAB biogenic CC(C)[C@@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 4017380 AKFSMLYJKZHSPM-VWAQSERHSA-N 375.424 2.988 0 40 GFAB CCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)CC 6274155 REQFUSNVEYLSOP-GFCCVEGCSA-N 376.482 2.695 0 40 GFAB C[C@H](OC(=O)c1cc(O)c2ccccc2c1O)C(=O)Nc1ccc(C(N)=O)cc1 5203480 KBLJJKCBSFLRHC-NSHDSACASA-N 394.383 2.534 0 40 GFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 65549806 PGIUSDHLQLTCBB-HOCLYGCPSA-N 378.900 2.902 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(NC[C@H]2CCCO2)s1 14241948 OKJXXEYCJCMURM-NWDGAFQWSA-N 396.542 2.599 0 40 GFAB CCN(CC)C(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCCS3 5451093 LAJGFAYBXNXZFQ-UHFFFAOYSA-N 388.468 2.855 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)COCC(=O)NCc2cccc(Br)c2)C1 4681022 DAEFGGGFCSOEFJ-KBPBESRZSA-N 397.313 2.586 0 40 GFAB CCCCOCCCNC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 4676393 QWBFMKVYRCVBAT-UHFFFAOYSA-N 393.503 2.578 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1 4816412 IXZOMOKSBDUHPX-UHFFFAOYSA-N 399.476 2.686 0 40 GFAB O=C(C1CCC(F)(F)CC1)N1CC[C@@]2(COCc3cnc(NC4CC4)nc32)C1 306127726 GFPQRERCMSKIBR-IBGZPJMESA-N 392.450 2.877 0 40 GFAB COc1ccccc1C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6811023 RNVYRZQFPDYNLP-HNNXBMFYSA-N 377.437 2.664 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c(N2CCCC2)n1 67256906 XPALCHAMJJEENP-UHFFFAOYSA-N 384.480 2.554 0 40 GFAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc(N2CCCC2=O)cc1 7081641 AVMHETMPYMMTEN-UHFFFAOYSA-N 385.493 2.862 0 40 GFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 7061688 MHHQXQOIRGABOI-IUODEOHRSA-N 396.399 2.805 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(Cl)c1Cl 8745834 JWUKWTMZXWORGP-UHFFFAOYSA-N 387.288 2.973 0 40 GFAB CC(C)Oc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842594 BNWIHFHBEPLFKY-UHFFFAOYSA-N 388.445 2.793 0 40 GFAB O=C(C[C@@H]1CCS(=O)(=O)C1)OCc1ccc(C(=O)Nc2ccccc2)cc1 7631015 PJNGZSSIZHRJOK-INIZCTEOSA-N 387.457 2.807 0 40 GFAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(OC)ccc2OC)n1 16753757 PQZKDHMUWNCERP-UHFFFAOYSA-N 399.856 2.583 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)n(C)c1 8881919 YEUPIYRFQOQAJJ-UHFFFAOYSA-N 377.466 2.511 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccn2)c1 8289867 QHVJBCYMHIGCQF-UHFFFAOYSA-N 381.885 2.694 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 84129101 MPUWRLCVMLIDSH-HOCLYGCPSA-N 397.541 2.715 0 40 GFAB O=C(Cc1ccccc1)NCCC(=O)N(CCc1ccccc1)[C@@H]1CCOC1 79053656 AEUXNOJMGKMYTD-OAQYLSRUSA-N 380.488 2.596 0 40 GFAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1cccs1)C2 306129355 IBEGOQMYEXRRER-AWEZNQCLSA-N 375.469 2.898 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1cccs1 9910209 CNUJTFIADIFPJS-UHFFFAOYSA-N 381.523 2.575 0 40 GFAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 409023179 XIHKQIKGBOMXGI-UHFFFAOYSA-N 386.492 2.649 0 40 GFAB COc1ccc(Br)cc1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 25586982 UUTVDBTUKBDLMG-QPJJXVBHSA-N 393.281 2.552 0 40 GFAB CN(C)C(=O)Sc1ccccc1NC(=O)CCn1nnc2ccccc2c1=O 65589968 RBUWVIUCJKONAL-UHFFFAOYSA-N 397.460 2.594 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 409207517 VSZGDXGQKNVKNM-CQSZACIVSA-N 392.477 2.790 0 40 GFAB CC[C@H](C)CS(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 502435794 BYPZYAPPYMTWKU-SMDDNHRTSA-N 394.415 2.656 0 40 GFAB O=C([C@H](c1ccccc1)N1CCSCC1)N1CCN[C@H](c2ccccc2)C1 1557032847 KUXXYMYRBKLMSV-SFTDATJTSA-N 381.545 2.950 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@@H](C(=O)O)c1ccccc1 5235503 CWXYOXOAQULLBF-HXUWFJFHSA-N 393.395 2.603 0 40 GFAB biogenic CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 38936659 JPHJJRCPKOJZAK-INIZCTEOSA-N 396.509 2.635 0 40 GFAB CCOC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(I)c1 30954545 POBOJTNJTCOEIS-GFCCVEGCSA-N 388.205 2.851 0 40 GFAB Cc1ccc(N2CN(CCO)Cn3c2nc(C)c(Cc2ccccc2)c3=O)cc1 38829887 BBXBAFGMUANABK-UHFFFAOYSA-N 390.487 2.812 0 40 GFAB CCC(=O)N1CCO[C@](Cc2ccc(-c3ccc(F)cc3)cc2)(C(=O)NC)C1 72389312 YGKKYFUPBCABOL-QFIPXVFZSA-N 384.451 2.789 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)[nH]c2c1 225790350 LBOSAKHDSKWBHX-UHFFFAOYSA-N 391.475 2.808 0 40 GFAB O=C(NCCn1cnc2ccsc2c1=O)c1cc(Br)cs1 225775775 SRELTNCCRJKQOA-UHFFFAOYSA-N 384.280 2.712 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1C(=O)NC(C)C 223881927 PKVLRWJSOJWKPX-UHFFFAOYSA-N 394.468 2.793 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCC(C)C)cc2)cc1 224435764 KULUDTWUDMGURY-UHFFFAOYSA-N 390.505 2.902 0 40 GFAB Cc1cccc(N2CCN(C(=O)Cn3ccc(=O)c4ccccc43)CC2)c1C 144668670 UVDHPSDUNADFMS-UHFFFAOYSA-N 375.472 2.967 0 40 GFAB Cn1cccc1CN1CCOCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 96239872 CAOARHWAORUHLH-UHFFFAOYSA-N 385.483 2.919 0 40 GFAB O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1n[nH]c2c1CCCC2 98212961 BZPSDWSUWTWMPC-UHFFFAOYSA-N 393.451 2.718 0 40 GFAB CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn23)CC1 96267412 KHHXNOKSBAXKKR-UHFFFAOYSA-N 391.519 2.837 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1OC 243382337 MHMGOHHOJHHHER-UHFFFAOYSA-N 396.487 2.915 0 40 GFAB CN1CCO[C@@H](CNC(=O)Nc2ccccc2C(C)(F)F)[C@@H]1c1cnn(C)c1 667183434 YIBJDLJPKJIGGF-IRXDYDNUSA-N 393.438 2.725 0 40 GFAB CC1(C)[C@@H](NC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1 626515158 ACGGFMSOHDYCOC-XIRDDKMYSA-N 388.493 2.556 0 40 GFAB Cc1[nH]c2ccccc2c1CC(=O)NC1CCN(C(=O)c2ccncc2)CC1 53351433 MXLKEDBZYSGFAF-UHFFFAOYSA-N 376.460 2.835 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 56951672 NNVQMNLWKBPRRU-AZUAARDMSA-N 380.448 2.965 0 40 GFAB O=C(O)C12CC(C(=O)NCc3cccc(Cn4cnc5ccccc54)c3)(C1)C2 1601728423 HADFQUFKLKSPDK-UHFFFAOYSA-N 375.428 2.956 0 40 GFAB O=C(NCc1cccnc1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595542 DWAYADCSHSDFRZ-DYXWJJEUSA-N 381.451 2.929 0 40 GFAB CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCC(=O)NC1=O 5260021 WXAZJIOEEPSLMB-IBGZPJMESA-N 390.436 2.711 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 5568624 BBKCOEOWKNJBFL-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl 13960237 XMIXAOQJFLRXRZ-XGUBFFRZSA-N 392.242 2.905 0 40 GFAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 14806103 RQIWMRSOEGLVEU-UHFFFAOYSA-N 384.807 2.648 0 40 GFAB CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N(C)Cc3cccs3)n2)c1 18664815 NJSFFTRFGJKUJN-UHFFFAOYSA-N 399.476 2.625 0 40 GFAB CCn1c(CNC(=O)CCc2nc(-c3cccnc3)no2)nc2ccccc21 19524347 KVLDMRQUFIVMFI-UHFFFAOYSA-N 376.420 2.750 0 40 GFAB Cn1c(CCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)nc2ccccc21 19717592 DQRLNZJUQLQGPJ-UHFFFAOYSA-N 392.459 2.617 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)n1 19739184 HSGFAKGNVPIXDP-SFHVURJKSA-N 396.539 2.549 0 40 GFAB Cc1ccc(-c2nn(CCC(=O)N3CCN(C)CC3)c(=O)c3ccccc23)cc1 19928814 NPVVCAGCJRQFSM-UHFFFAOYSA-N 390.487 2.536 0 40 GFAB O=C(CCCNC(=O)C1CC1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1ccccc1 101742721 KSZKONQNRCZRGW-MMKMLUHNSA-N 398.503 2.567 0 40 GFAB O=C1CCCN1C[C@@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 620248476 XZTYSRCGRCPPQB-ZDUSSCGKSA-N 375.519 2.885 0 40 GFAB Cc1nc(=O)c2c([nH]1)[C@]1(C)CCCN(C(=O)CCc3cc(Cl)no3)[C@@H]1CC2 12120969 RQZBLMKEVZZINO-AUUYWEPGSA-N 390.871 2.547 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)c2ccccn2)CC1 13267764 ALYUPFSMTRVWDO-UHFFFAOYSA-N 378.407 2.888 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccc(-c2cnn(C)c2)cn1 19688926 WPLCZESCYOUWBR-KRWDZBQOSA-N 387.465 2.613 0 40 GFAB O=S(=O)(NC1CN(c2cc(C(F)(F)F)ccn2)C1)c1cc(F)cc(F)c1 1888888424 ZTTYGPSQXPZPKD-UHFFFAOYSA-N 393.337 2.546 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3c(C)cc(=O)oc3C)ccc21 26017082 VUFHWRFUWYGZSY-ZDUSSCGKSA-N 383.400 2.594 0 40 GFAB COc1ccc(COC[C@@H](O)CN[C@H](c2ccccc2F)c2nccn2C)cc1 28690326 UGVXQDACSMTKMU-LAUBAEHRSA-N 399.466 2.825 0 40 GFAB CCn1ccnc1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988780 HYBWUHUWLQVXRX-OAQYLSRUSA-N 386.471 2.830 0 40 GFAB COc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)c(OC)c1 11738073 BGUWDJBRJBMMDB-UHFFFAOYSA-N 388.449 2.573 0 40 GFAB O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 13696677 AYRSUPZNEBLAKP-SFHVURJKSA-N 390.436 2.695 0 40 GFAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)NC[C@H]4CCCO4)c32)cc1 38488202 QFZFTILMBQTHCG-MRXNPFEDSA-N 397.504 2.820 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1OC 575617300 VOIVRZOYLOBGFX-RMKNXTFCSA-N 378.432 2.829 0 40 GFAB Cn1cc(CCNC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccccc21 604405926 XAYAACBPIRTKTD-UHFFFAOYSA-N 375.428 2.708 0 40 GFAB biogenic CCNc1nnc(SCC(=O)c2ccc(CCNC(C)=O)c(F)c2)s1 40127768 NOXWUWRPOOWHSW-UHFFFAOYSA-N 382.486 2.763 0 40 GFAB O=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cccs2)CC1 2620405 SBUYXLGEEBPFJD-UHFFFAOYSA-N 385.898 2.836 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CCCOc2ccccc2)C1=O 32741505 WQEZVJWFCNMEFU-NRFANRHFSA-N 382.416 2.694 0 40 GFAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCN1C(=O)CCC1=O)c1ccccc1 21589648 JGZMMTRDOJOQCS-OAHLLOKOSA-N 393.443 2.655 0 40 GFAB CCOc1cccc(OCC)c1NC(=O)Cn1nnc(-c2ccccc2F)n1 4184523 NZROAFXEUCBMHM-UHFFFAOYSA-N 385.399 2.915 0 40 GFAB COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C 4861110 AGWQMLRQSNMOGQ-UHFFFAOYSA-N 377.466 2.794 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ncc(-c3ccccc3)o2)c1 6384664 CTTPKRAWVASOLI-UHFFFAOYSA-N 386.429 2.949 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1 6866377 GTZKDHLKHVYTDM-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 6880436 LHSRFFGDAGWQSJ-UHFFFAOYSA-N 384.404 2.671 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1 10324662 FYCQRYXZQUYSNY-GFCCVEGCSA-N 387.461 2.608 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)cc1Cl 21816751 JCPPRMITJLDREB-LJQANCHMSA-N 399.878 2.808 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccccc3F)o2)cc1 8304118 PWIXLSJNFDDQNO-UHFFFAOYSA-N 388.420 2.706 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 794304 DTHJVJPTOVTFCO-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C31CC1)c1ccc(Cl)cc1Cl 713948 JTZFHKVDVOTUHR-WVKUQDAKSA-N 377.227 2.835 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1C 24135932 XOEHWTAIKJNKKP-UHFFFAOYSA-N 381.476 2.727 0 40 GFAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 107347393 MPSJGVLDENASAG-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)s1 24987528 JZVIMBQVEKIDAV-AWEZNQCLSA-N 379.507 2.799 0 40 GFAB O=C1CCc2cc(S(=O)(=O)Nc3cnc(-c4ccccc4)nc3)ccc2N1 12585259 WTUZNMZANSXQRH-UHFFFAOYSA-N 380.429 2.829 0 40 GFAB O=C1C2=C(c3cc(O)ccc3O)CCCN2C(=O)CN1CCc1ccccc1 1423105 WISOHZJIADAJCP-UHFFFAOYSA-N 378.428 2.516 0 40 GFAB biogenic O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1ccc(F)cc1F 57507356 DLSWTYCDBSFUDO-UHFFFAOYSA-N 396.357 2.552 0 40 GFAB CC(C)Cc1ccc([C@H](NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 58069264 GBFIFHNBGBWTHU-TZIWHRDSSA-N 394.581 2.817 0 40 GFAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)N(C)C)cc3)ccc12 3321931 KHBDWFNJTXYKCI-UHFFFAOYSA-N 395.411 2.925 0 40 GFAB Cc1c(O)ccc2c(COC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc(=O)oc12 12760061 ICOFXFURNZJPFV-QGZVFWFLSA-N 380.352 2.632 0 40 GFAB CCNC(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1 79092067 VYKVJJDAMUWBCZ-UHFFFAOYSA-N 379.386 2.572 0 40 GFAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 12931207 PTMMTVVEZRBJEB-UHFFFAOYSA-N 380.444 2.626 0 40 GFAB O=C(O)C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccco1 3618817 VTBWVDOPEARKSI-INIZCTEOSA-N 398.415 2.768 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NCc3cnn(-c4ccccc4)c3)CC2=O)c1 13015416 SEOYTBFIBYMXPC-QGZVFWFLSA-N 390.443 2.550 0 40 GFAB COc1c(F)c(F)cc2c(=O)c(C(=O)NCc3ccccn3)cn(C3CC3)c12 9420672 UCHZHYSNLVFMMQ-UHFFFAOYSA-N 385.370 2.948 0 40 GFAB Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 63949373 RDPBREDRJZAXCJ-SFHVURJKSA-N 379.460 2.514 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 8726021 BUOGICPLIXPEHY-NSHDSACASA-N 382.497 2.831 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 6370968 WLLUQNBXBHUDCC-UHFFFAOYSA-N 394.431 2.840 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCNC(=O)C3)cc12 14188602 QDRLAZPAQDEHRF-UHFFFAOYSA-N 388.880 2.680 0 40 GFAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)[C@@H]1CCS(=O)(=O)C1 14201127 UFIQBWDIPFXUFB-UDMGLPGGSA-N 380.535 2.984 0 40 GFAB CC(C)Cn1c(SCC(=O)NC2CCCCCC2)nnc1N1CCOCC1 8993768 KZQVWROBGKAOKP-UHFFFAOYSA-N 395.573 2.702 0 40 GFAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608433 UMYHLBNOYSNIFO-UHFFFAOYSA-N 396.896 2.791 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)cc1 5585975 JODMDCBWGSEKCN-UONOGXRCSA-N 387.457 2.613 0 40 GFAB NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F 6600080 HWLLGYWYVFYDAW-UHFFFAOYSA-N 379.363 2.982 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408585719 IRCZZABKJPRZKU-UHFFFAOYSA-N 375.446 2.688 0 40 GFAB CCOCc1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 4815784 YJFAJJCOQXTCOX-UHFFFAOYSA-N 384.845 2.947 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccccc1NCCO 9162851 FGIPTHJPIATABI-UHFFFAOYSA-N 392.839 2.857 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=S)NC3CC3)CC2)c(C)c1C 7580809 CYGFFWDXVDCFDS-UHFFFAOYSA-N 395.594 2.572 0 40 GFAB CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 16088723 YUGVVMXKKMLZNP-UHFFFAOYSA-N 381.281 2.893 0 40 GFAB Cc1c(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)oc2ccc(F)cc12 8073247 ZZTQRYNYSQGDNC-LSDHHAIUSA-N 395.452 2.689 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CC2=O)c1 16637596 HQXHCNPSPBSVNK-INIZCTEOSA-N 396.516 2.505 0 40 GFAB CCCCn1c(=O)n(Cc2cccc(F)c2)c(=O)c2c1ncn2Cc1ccco1 8310576 UBOKIRWYBGDIHT-UHFFFAOYSA-N 396.422 2.989 0 40 GFAB Cc1cc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC3)c2)c(C)o1 84081645 FRQDSYCWORJNTM-LBPRGKRZSA-N 380.441 2.921 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(N2CCCCCC2)cc1 84405648 GTCFDYRBDRLETL-KDURUIRLSA-N 381.476 2.957 0 40 GFAB O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1Br)N1CCCC1 95405105 LNPAUDJILQCHQR-CQSZACIVSA-N 395.297 2.693 0 40 GFAB Cn1nncc1CNc1ccc(Br)c(I)c1 95467769 IYUMXBXLOBLYEO-UHFFFAOYSA-N 393.026 2.794 0 40 GFAB CCS(=O)(=O)CC(=O)NC1(c2nc(-c3ccsc3)no2)CCCCC1 95451370 LTCJARUFHZHHJD-UHFFFAOYSA-N 383.495 2.508 0 40 GFAB Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)no1 95993053 BTSTULCZYRRXFY-MRXNPFEDSA-N 399.495 2.887 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1ccnn1C 95998586 JFPQREZUMYMSQC-GOSISDBHSA-N 383.427 2.575 0 40 GFAB COCCN1CCCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 95993158 HLLAVBQYEWLFAG-IBGZPJMESA-N 388.556 2.674 0 40 GFAB CN1CC2(CCN(Cc3cccnc3)CC2)c2nn(-c3ccccc3)cc2C1=O 306126201 DPJLBOSCSPXYFT-UHFFFAOYSA-N 387.487 2.887 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 20670959 QGRFOYBHKLQSSI-GFCCVEGCSA-N 389.814 2.953 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc(C4CC4)o3)CC2)cc1 38904916 JEDFVBAOVGAONM-UHFFFAOYSA-N 375.450 2.718 0 40 GFAB Cc1ccc(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 408734568 YGSDSIXJVXMHCR-MSOLQXFVSA-N 399.450 2.780 0 40 GFAB Cc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)N1CCOCC1 72345531 MOMFHBQNFZRHCA-SFHVURJKSA-N 386.496 2.501 0 40 GFAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 31816668 CYPJRIPLRJFSTH-OAHLLOKOSA-N 396.472 2.904 0 40 GFAB CCn1c(=O)sc2cc(NC(=O)c3cccc(NS(C)(=O)=O)c3)ccc21 225095412 IENRKFXLQYYBRH-UHFFFAOYSA-N 391.474 2.707 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222463685 MSQKTWFAICXUJT-INIZCTEOSA-N 390.505 2.897 0 40 GFAB Cc1ccccc1OCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223701628 RISJDHRXLIVCKD-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB CSc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1NC(C)=O 225192428 LYUSCBNAIXSASQ-UHFFFAOYSA-N 398.481 2.863 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 224133129 URVKGNHQQDMWDQ-SFHVURJKSA-N 388.489 2.729 0 40 GFAB CN1CCN(S(=O)(=O)c2cc(Br)c3cccc4c3c2CC4)CC1 41105692 SBONFIGZTLFCIB-UHFFFAOYSA-N 395.322 2.637 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)c(F)c2)s1 222722525 MNGQFWVVQDQOSQ-UHFFFAOYSA-N 376.410 2.602 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222438158 LNRWJTZRTVGFHB-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB O=C(c1cncc(Cl)c1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 581589220 CBQKILPYTGQBEI-UHFFFAOYSA-N 391.806 2.958 0 40 GFAB C[C@H](CCc1ccc(F)cc1)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 248014200 KDXXDUOKVIYSRM-VTJXTGGHSA-N 389.471 2.764 0 40 GFAB CN(CC(=O)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1)Cc1ccccc1F 257291913 QJFHBGUQNDHGKU-PBEJRMEISA-N 383.467 2.969 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)c2cncnc2)n1 257246482 IUHHGWHAKAWAOT-KRWDZBQOSA-N 378.436 2.776 0 40 GFAB Cc1c(Cl)cc(S(=O)(=O)Nc2cnn([C@@H]3CCOC3)c2C)cc1C(=O)O 451094532 ICNYEASGUKJKIP-LLVKDONJSA-N 399.856 2.614 0 40 GFAB C[C@H]1CN(c2ccc(C(=O)O)cc2)CCN1C(=O)c1cccc2c1COCC2 1119650119 MVQAMWLUADJOLT-HNNXBMFYSA-N 380.444 2.808 0 40 GFAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@H]2Cc4ccccc4O2)C3)c1 575404515 NBXOJOHGCRZJCC-TZIWHRDSSA-N 394.471 2.670 0 40 GFAB CCOc1ccc([C@@H](CO)N(C)S(=O)(=O)c2cccc3cnccc23)cc1 1615056450 YICPVLBFTGFKFB-LJQANCHMSA-N 386.473 2.988 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 5060666 RJRQRERMDBJNLQ-CQSZACIVSA-N 393.443 2.579 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3(c4ccccc4)CCCC3)ccc21 12101250 BAPNHAPREHKUSB-UHFFFAOYSA-N 391.471 2.952 0 40 GFAB CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)OCCO3)CC1 12188285 INNDTIZDVBKECX-FQEVSTJZSA-N 396.487 2.619 0 40 GFAB CC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)cc1 12472189 YDTKYSBBGKYJEP-UHFFFAOYSA-N 386.477 2.836 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497249 WMTBKKBQNKWDRP-KCXPTXFHSA-N 396.418 2.516 0 40 GFAB CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 17311051 ANIDXNZCYPDMLG-LMBYMIRFSA-N 388.504 2.626 0 40 GFAB Cc1cccc(CN2CCCN(C(=O)[C@H](C)Cn3nc(C)c(C)c3C)CC2)n1 19236261 UMUJLSMEMHVRKC-MRXNPFEDSA-N 383.540 2.882 0 40 GFAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 19659109 AYPKYQUXCMKWGB-QGZVFWFLSA-N 396.447 2.649 0 40 GFAB CCn1ncc(-c2cc(C(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)on2)c1C 19665072 RMTMLOURPKZXIB-CQSZACIVSA-N 397.410 2.541 0 40 GFAB C[C@H]1CCc2nc(NC(=O)Cn3cc(NC(=O)c4ccccn4)cn3)sc2C1 19749482 RYDLWUKGLCQDHM-LBPRGKRZSA-N 396.476 2.750 0 40 GFAB CCOC(=O)c1ccc(-n2ncc(N3C[C@@H](C)O[C@H](C)C3)c(Cl)c2=O)cc1 2576682 IIUBTURNEUNFCD-CHWSQXEVSA-N 391.855 2.676 0 40 GFAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCN(C(C)=O)CC3)c(O)n2n1 22855118 ACHWUBPVDOKNAZ-KRWDZBQOSA-N 399.520 2.621 0 40 GFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2(c3ccsc3)CC2)c1 1888947677 IVKLSTQNTFVQKC-UHFFFAOYSA-N 381.475 2.553 0 40 GFAB O=C(c1ccncc1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995501 ZJINYPNIBUWOJI-GFCCVEGCSA-N 377.242 2.565 0 40 GFAB COc1ccc(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cc1OC 2037983690 CJNIOLKTOALCFG-NRFANRHFSA-N 376.497 2.696 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(F)c4)cnc32)c1C 4479194 WWPZVXIQYHSAFC-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB CCOc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 4569088 HSKFXAMALQFCDZ-QGZVFWFLSA-N 388.489 2.668 0 40 GFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4)cc3c2=O)cc1 11666392 GHHVKRNBWLAXPT-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB COc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 21919555 PUMOHBGAFGCNGB-GOSISDBHSA-N 388.439 2.646 0 40 GFAB CCOC(=O)C1CCN([C@H](c2cccnc2)c2c(O)cc(C)n(CC)c2=O)CC1 22697437 XCVXWZXBYNPSPK-HXUWFJFHSA-N 399.491 2.642 0 40 GFAB O=C(c1cc2ccccn2c1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974598 XCMCXGNSYZOUOT-UHFFFAOYSA-N 388.402 2.999 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38729111 NAAIVVBNRDFEPH-MSOLQXFVSA-N 382.435 2.679 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(OC)ccc21 100877094 FNKQTNSTCWJXJK-MRCUWXFGSA-N 399.472 2.692 0 40 GFAB CC[C@H](C)NC(=O)CN1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1 40060422 VPEMDXBDQXZAGR-ZDUSSCGKSA-N 375.444 2.553 0 40 GFAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3[nH]nnc3c2)cc1 30226650 JWAPEOPKFFWBSW-UHFFFAOYSA-N 389.415 2.753 0 40 GFAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)NC2CCCC2)C1=O 40116671 SLJMSXMBISGMBF-QGZVFWFLSA-N 383.370 2.531 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccn(-c2ccccc2F)n1 40150155 NKFRNGJJPMFGRC-GOSISDBHSA-N 384.411 2.675 0 40 GFAB O=C(Nc1nnc(-c2ccccn2)s1)[C@H]1CC(=O)N(CCc2ccccc2)C1 40145856 YZMGYEBEAOWYCJ-HNNXBMFYSA-N 393.472 2.630 0 40 GFAB COc1ccc(NC(C)=O)cc1NCC(=O)Nc1ccccc1C(=O)NC1CC1 11620384 LRORUNQGNPUYOX-UHFFFAOYSA-N 396.447 2.596 0 40 GFAB CCc1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O 21023702 JZRJIRRPVAQLII-UHFFFAOYSA-N 391.406 2.898 0 40 GFAB COc1ccc(-c2noc(CCC(=O)Nn3cnc4ccccc43)n2)cc1OC 32855784 XQHKQRXRVCXMMI-UHFFFAOYSA-N 393.403 2.806 0 40 GFAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(F)cc1Cl 6922271 JROCTOCCUYECGG-MDBPOYHNSA-N 389.814 2.699 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872025 FYLZACPZJABAFL-CYBMUJFWSA-N 380.441 2.936 0 40 GFAB S=C(NCc1cccs1)N1CCN(C(=S)NCc2cccs2)CC1 7985992 HHBHMFPUVDTYKV-UHFFFAOYSA-N 396.632 2.876 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1c(F)cccc1Cl 32904691 NEKMOCKIWXOEDY-UHFFFAOYSA-N 376.815 2.882 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(S(=O)(=O)c2ccccc2)cc1 102620044 NQTONIPXSJDBHR-OHHBCXFOSA-N 379.437 2.831 0 40 GFAB CC(C)(C)C(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 32906878 DGUPNYYQKUHTSB-UHFFFAOYSA-N 383.374 2.777 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100765120 VAINHEDGSJOOKU-OTVXOJSOSA-N 387.432 2.741 0 40 GFAB Cc1cc(I)ccc1NC(=O)COC(=O)c1cccnc1 8288667 VXWLKXWVWGDYJY-UHFFFAOYSA-N 396.184 2.790 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c1 8410845 UFFOBBLKJLZDLZ-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB NC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)CC1 22085141 QZFFISIDZSIQTG-UHFFFAOYSA-N 384.455 2.618 0 40 GFAB Cn1ncc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1-n1cccc1 43075452 YZTJNCIANBPEJM-JXMROGBWSA-N 375.476 2.682 0 40 GFAB Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c(=O)[nH]1 24771727 QWVYELCUMKXHOL-SFHVURJKSA-N 399.882 2.612 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(Cl)cc1 12507201 WZJQKNPSOZESPI-SFHVURJKSA-N 388.899 2.976 0 40 GFAB CS(=O)(=O)Nc1ccccc1NC(=O)Cc1csc(-c2ccco2)n1 24895659 LLCYQETZNTWBSG-UHFFFAOYSA-N 377.447 2.956 0 40 GFAB CN(C)c1nc(N)nc(COC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 12514007 DYZJRURASGXZTN-UHFFFAOYSA-N 390.403 2.685 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 28223424 CEHBIRHZECFSIS-INIZCTEOSA-N 386.473 2.528 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(OC)c2O)n1 58084627 IWAWXQZTOKLAAV-UHFFFAOYSA-N 395.419 2.831 0 40 GFAB Cc1cc(Cl)ccc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58162261 KADGBMIBXHQOOC-UHFFFAOYSA-N 377.857 2.640 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12603757 IWWACIVXRDYWCO-KRWDZBQOSA-N 389.415 2.743 0 40 GFAB Cc1ccc(N2CCN(S(=O)(=O)c3cn(C(F)F)nc3C)C[C@@H]2C)cc1 36615065 RLESKMPORYJLOO-ZDUSSCGKSA-N 384.452 2.794 0 40 GFAB Cc1ccc(C(=O)NCCC(=O)Nc2ccccn2)cc1NC(=O)c1ccco1 48356061 HPJQRRSKQIQOFY-UHFFFAOYSA-N 392.415 2.994 0 40 GFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 3491739 DGZOKCBJDNDDPE-UHFFFAOYSA-N 376.478 2.906 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 3581338 YSQNJAWCDUAEAF-UHFFFAOYSA-N 386.470 2.657 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCCCc1ccccc1 3600801 RUIVHNPQQFJZNX-QHCPKHFHSA-N 391.471 2.519 0 40 GFAB Cc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c(Cl)c1 17337169 GNBXEPQVZLZDFO-UHFFFAOYSA-N 377.853 2.668 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C)C(=O)O 4000324 XBTFOTKXOMULDL-GDLVEWKHSA-N 393.871 2.566 0 40 GFAB biogenic Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1F 20957057 YQCZUYKWPPUDDV-CQSZACIVSA-N 392.452 2.844 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 14097771 PBZGCLVVCQILOX-UHFFFAOYSA-N 382.869 2.986 0 40 GFAB CCCOc1c(Cl)cc(/C=C/C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1OC 65536335 HSXPOUQPRFTEAK-AATRIKPKSA-N 392.843 2.920 0 40 GFAB O=C(c1ccc(N2C(=O)c3cncnc3C2=O)cc1)N1CC[C@H](c2ccccc2)C1 408977911 ZEZNUCYSUQHUJM-KRWDZBQOSA-N 398.422 2.907 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 4891031 VTXFUOFOVMCEBS-HNNXBMFYSA-N 378.428 2.948 0 40 GFAB NC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 8982353 UKAIMZFQVMPROV-UHFFFAOYSA-N 397.412 2.655 0 40 GFAB CC[C@H](C)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7671135 LVSODLDVTJSGLS-AWEZNQCLSA-N 376.482 2.891 0 40 GFAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 7720845 SEZSOFASVOQCRO-UHFFFAOYSA-N 397.431 2.964 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccnn1Cc1ccccc1 7988987 DXBARDJOZTXXGL-UHFFFAOYSA-N 387.436 2.873 0 40 GFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 71285580 XXBJIQYOJZPTHS-GJZGRUSLSA-N 377.404 2.829 0 40 GFAB COc1ccc(CCNC(=O)CSc2ncnn2-c2ccccc2)cc1OC 8334769 DPYRSGRHCNBHNZ-UHFFFAOYSA-N 398.488 2.736 0 40 GFAB CCS(=O)(=O)CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96001340 KXWUVOVEQWRRHY-HNNXBMFYSA-N 377.466 2.615 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1 96115574 VCHKHBCXSNPSKM-SFHVURJKSA-N 392.415 2.626 0 40 GFAB biogenic CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113941652 GAPUCNHIIVDHPT-CQSZACIVSA-N 394.468 2.695 0 40 GFAB CCc1ccc(CNC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)s1 72302781 PEUMGWQWZMSOLD-ZDUSSCGKSA-N 395.550 2.920 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 97379437 UTZUYKYIIUEWHI-UHUXCJHTSA-N 390.427 2.695 0 40 GFAB O=C(O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)cnc1Cl 79103006 BEEDKQXYXSELTC-UHFFFAOYSA-N 391.630 2.997 0 40 GFAB COc1cccc(-c2noc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)n2)c1 9990787 ZUOZKMBTTMHOGS-NRFANRHFSA-N 390.399 2.639 0 40 GFAB COc1ccc2nc(NC(=O)[C@H](C)n3nnc4ccccc4c3=O)sc2c1 61719817 SKZSYPSIPJQDTC-JTQLQIEISA-N 381.417 2.610 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1 28200037 AUUZHHDDPYPZIZ-INIZCTEOSA-N 377.897 2.903 0 40 GFAB COc1ccc(S(=O)(=O)NCCC(C)C)cc1I 409412154 SGDNQYITWZSSJE-UHFFFAOYSA-N 383.251 2.624 0 40 GFAB O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)C1CCN(c2cnccn2)CC1 522424868 AXWFEUAJODKZKW-UHFFFAOYSA-N 389.463 2.994 0 40 GFAB CC[C@@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)N2CCCCC2)C1=O 72343098 LPRAXCUGEGUTBJ-LAUBAEHRSA-N 398.459 2.878 0 40 GFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 32998016 ZUHXWDDYAWPAQV-NUJGCVRESA-N 378.538 2.808 0 40 GFAB CC(C)CN1C[C@H](C(=O)Nc2n[nH]c3cc(Br)ccc23)CC1=O 79488664 NOEFTAUCIMTFLB-SNVBAGLBSA-N 379.258 2.768 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H]2Cc2c(C(N)=O)sc3ccccc23)cn1 72370341 DVRPRIRQYRKOSE-CYBMUJFWSA-N 380.473 2.946 0 40 GFAB O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCC[C@@H]1Cc1cc(F)ccc1F 563524183 NOWYBRPWFANGCL-OAHLLOKOSA-N 399.397 2.614 0 40 GFAB COc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 32603942 CNMNVZNLIVAHIQ-IYBDPMFKSA-N 398.511 2.943 0 40 GFAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)c1 35425098 KODZEFQNBVRWIR-SFHVURJKSA-N 381.436 2.889 0 40 GFAB biogenic,in-vitro Cc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38833202 LPMAPOZPJDLCKA-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](CC(=O)O)C1 566957999 WAEBWVKKMQWLES-GWCFXTLKSA-N 375.391 2.879 0 40 GFAB Cc1ccc(C[C@H](CO)N[C@@H](C)Cn2cc(Br)ccc2=O)cc1 567633064 MTMNBYBWFVPSBS-WMLDXEAASA-N 379.298 2.501 0 40 GFAB COC(=O)CSc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 224953152 HFBLBWGKCFCHPX-UHFFFAOYSA-N 381.479 2.944 0 40 GFAB Cc1cc(C)cc(-n2nc(NC(=O)N3CC[S@@](=O)C(C)(C)CC3)cc2C)c1 574969094 YRSULDKUKWWCHM-MHZLTWQESA-N 388.537 3.562 0 40 GFAB CCCSc1nnc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)s1 225216035 OJVAKLWSUGKLQY-UHFFFAOYSA-N 387.508 2.936 0 40 GFAB COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(Cc2ccccc2)[nH][nH]c1=O 96116305 OZBVDCMBJLXETK-MRXNPFEDSA-N 380.400 2.687 0 40 GFAB biogenic Cc1c(Cl)c(C(=O)N2CCC[C@H](c3n[nH]cc3CN3CCCC3)C2)nn1C 578313577 TUIPYSINZBBLLC-AWEZNQCLSA-N 390.919 2.721 0 40 GFAB COC1(c2nc(C3CCOCC3)no2)CCN(c2ncc(Cl)cn2)CC1 582136407 LRIWBEXKHVWMFT-UHFFFAOYSA-N 379.848 2.549 0 40 GFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)c2ccn(C)n2)c1 257207813 BJJYBPQBQWHMBW-IPJJNNNSSA-N 396.491 2.833 0 40 GFAB O=C(COc1cccnc1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257250950 JOSBSWJPUVTKAH-DYESRHJHSA-N 386.423 2.829 0 40 GFAB CSC1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 601695158 OPEPHQDJJSGACU-INIZCTEOSA-N 376.522 2.658 0 40 GFAB COc1cncc(N2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)c1 636273417 XYHHUZADSCDAHP-UHFFFAOYSA-N 376.460 2.920 0 40 GFAB C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CCCO1 43823652 QYKHPJVJRHCVDX-DOMZBBRYSA-N 376.482 2.822 0 40 GFAB CC(=O)Nc1nc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cs1 71853326 YTKWAEXMOZYWSM-UHFFFAOYSA-N 397.416 2.640 0 40 GFAB Cc1ccc(C2(C(=O)N3CCC(n4nnc5ccccc5c4=O)CC3)CC2)cc1 12182315 YVRRQDGKIYKDQT-UHFFFAOYSA-N 388.471 2.995 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c(=O)[nH]cnc21 12413707 RAQFNXMRTGCAKZ-UHFFFAOYSA-N 381.820 2.663 0 40 GFAB biogenic,in-vitro O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccccc1Cl 13570588 VXFZYQBCBPTQKX-KRWDZBQOSA-N 385.851 2.857 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1OC 14225569 ZAVRRJARBSPXFO-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB CCn1ncc(Cn2cc(NC(=O)c3cc(C)nc4c3c(C)nn4C)cn2)c1C 17080140 AYWUDGSHWFPLFP-UHFFFAOYSA-N 392.467 2.607 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)[C@H]1CCCO1)Cc1ccccc1O2 19016252 CXWYTBPRSVHIGQ-AATLZSDMSA-N 386.492 2.746 0 40 GFAB CC(C)(CO)NC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 19085029 PYVTXOKHBXEVHN-UHFFFAOYSA-N 376.428 2.707 0 40 GFAB CCc1nc(C)cc(N2CCN(C(=O)c3ccc(C)c(-n4cccn4)c3)CC2)n1 19523144 QDVWTBUAYUCXLZ-UHFFFAOYSA-N 390.491 2.804 0 40 GFAB COc1ccccc1C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2)CC1 19655049 CHZUYNATXQFDAG-HNNXBMFYSA-N 386.423 2.586 0 40 GFAB Nc1ncc(-c2ccc([C@@H]3CCCN3C(=O)CC3(O)CCCCC3)nc2)cn1 19688982 VGQWOFWFBORNHN-SFHVURJKSA-N 381.480 2.870 0 40 GFAB CC(=O)N(C)Cc1cc(C2CCN(C(=O)Cc3ccc(C)c(C)c3)CC2)nn1C 19710232 BDSOJMRRXJDVNI-UHFFFAOYSA-N 396.535 2.964 0 40 GFAB Cc1c(C(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)[nH]c2ccc(F)cc12 19710991 PSQIZKMVIHAZAX-AWEZNQCLSA-N 396.470 2.672 0 40 GFAB CNc1cc(C(=O)N[C@H]2CC[C@]3(CCC(=O)N3)[C@@H](c3ccccc3)C2)ccn1 19740139 CRFDYIDDJLEFQQ-SVMVAKDDSA-N 378.476 2.838 0 40 GFAB CC(C)c1csc(NC(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)n1 19749386 DDHAPBJGTKPLRD-UHFFFAOYSA-N 388.493 2.693 0 40 GFAB CC(C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 19758524 LRVQTHMWYPQUFT-UHFFFAOYSA-N 397.523 2.572 0 40 GFAB CCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)C3)C1 607855251 RYYCAOJOEFMDCT-HNNXBMFYSA-N 382.439 2.739 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 3563013 LQIJNEPZWPCUHC-GOSISDBHSA-N 379.460 2.913 0 40 GFAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1614973484 KSUSVQHGFBPADL-GOSISDBHSA-N 383.439 2.530 0 40 GFAB Cn1ccnc1SCc1cc(=O)c(OC(=O)COc2ccccc2F)co1 4251369 QUUZUNPCKYUXOS-UHFFFAOYSA-N 390.392 2.789 0 40 GFAB O=C(NCCc1nnc2ccc(N3CCCCCC3)nn12)c1ccccc1F 4358626 LXPSGRLYWKVMAY-UHFFFAOYSA-N 382.443 2.616 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 4393487 XLPZJACLOSZOET-JKSUJKDBSA-N 392.864 2.961 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)cc1 4852041 KNHKWKFOMTYPLT-GFCCVEGCSA-N 393.399 2.532 0 40 GFAB COc1ccccc1Cn1c(=O)c2cccnc2n(Cc2ccc(F)cc2)c1=O 9831029 VFTPEBRSNNFREA-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB CS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccccc3F)CC2)cc1 10386663 SYMHFDHTJJIALX-UHFFFAOYSA-N 393.509 2.748 0 40 GFAB CN(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccc(Cl)s1 27359779 GCGYLHZUXAHXFG-UHFFFAOYSA-N 383.876 2.881 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 20191335 DHGZGEFJUNCWFT-UHFFFAOYSA-N 385.489 2.654 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1cccc(I)c1)C31CC1 100237360 GVCLEJYIORRMRZ-XDQVBPFNSA-N 391.208 2.993 0 40 GFAB C[C@H](Sc1nnnn1Cc1ccco1)C(=O)N[C@H](C)c1ccc(F)cc1 11678174 CSMLFDRVJFFEKE-NEPJUHHUSA-N 375.429 2.812 0 40 GFAB Nc1nc(CSc2nnnn2Cc2ccccc2)nc(Nc2ccccc2)n1 8162392 BGOZLSJBEHQWTL-UHFFFAOYSA-N 391.464 2.525 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 1368299 PYNMGQMHHUCQOQ-HUUCEWRRSA-N 388.555 2.573 0 40 GFAB O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Cl 3621026 KTFNAYJQOJPCOX-UHFFFAOYSA-N 375.831 2.558 0 40 GFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(OC[C@@H]2CCCO2)cc1 4988662 NESPHYAHCOXFSB-INIZCTEOSA-N 381.384 2.655 0 40 GFAB C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCCC)C2=O)cc1Cl 6879612 FWPNRFIHJBNWRX-GDNBJRDFSA-N 392.864 2.915 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc(Cl)c1Cl 102082664 VHQHLRDEWOJBSN-GYEJUCCMSA-N 391.254 2.985 0 40 GFAB Cc1c(NC(=O)COc2cccc(Br)c2)cccc1-n1cnnn1 32969348 MXXPNOZTJIYYGH-UHFFFAOYSA-N 388.225 2.751 0 40 GFAB CCOc1ccc([C@@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297770 LETFWQGPBNLPAY-MRXNPFEDSA-N 393.432 2.991 0 40 GFAB CCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(C(=O)c2ccco2)CC1 20141528 AJQUKKJDEVBWNH-KRWDZBQOSA-N 398.467 2.597 0 40 GFAB O=C(NCc1ccco1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 862631 WQNWWMNADFCOHN-DHDCSXOGSA-N 380.356 2.689 0 40 GFAB Cc1[nH]c(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)c1C(=O)OC(C)C 22995321 FYABTNQMRUFPAA-UHFFFAOYSA-N 386.452 2.681 0 40 GFAB COc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1Br 54017219 SBFAIOFWPRHNSI-ZDUSSCGKSA-N 391.269 2.647 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 9931251 PSWJRXFGMWLYGM-UHFFFAOYSA-N 392.415 2.783 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 23191335 ZPBKPWZRTOFOAT-UHFFFAOYSA-N 388.387 2.689 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)NCCCn1cnc2ccccc21 12491313 LSKBVIOUYAETFJ-UHFFFAOYSA-N 392.459 2.748 0 40 GFAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4CC4CC4)nn3c(O)c2C1 100233849 ZSEMHWHTLCIVGF-LJQANCHMSA-N 397.523 2.913 0 40 GFAB C[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1cccc(C(F)(F)F)c1 21917534 ZQFKFXTZCVREAH-NSHDSACASA-N 385.386 2.993 0 40 GFAB Cc1[nH]c2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)cc2c1C 23317892 LSBLLYDMUHOVRT-UHFFFAOYSA-N 377.492 2.862 0 40 GFAB CCn1cnnc1SCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 24175325 IUAVTEBYYCXHGX-QGZVFWFLSA-N 376.482 2.675 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 55620165 VCDIVODERORXEB-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3ccccc3Cl)[C@H]2C1 107798506 LTIICTDNKUPHIX-MJGOQNOKSA-N 376.909 2.986 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)c1 1461424 GWWNQAMBXDVSJL-HNNXBMFYSA-N 392.411 2.607 0 40 GFAB O=C(c1cccs1)N1CCN(Cn2cnc3ccc(Cl)cc3c2=O)CC1 25665591 CSCPSOYMUVGNAI-UHFFFAOYSA-N 388.880 2.527 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnn(C[C@H]2CCCO2)c1 56951674 NNVQMNLWKBPRRU-UYAOXDASSA-N 380.448 2.965 0 40 GFAB Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(Nc2cccc(F)c2)n1 57506286 ZIMRIGREIBWIIT-UHFFFAOYSA-N 384.386 2.890 0 40 GFAB COc1cc2cc(C(=O)N[C@H](C(=O)O)c3ccccc3)[nH]c2c(OC)c1OC 35686333 ZEOGSPDUAUVMRW-INIZCTEOSA-N 384.388 2.749 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc(-n3nnnc3C)ccc2F)c(Cl)c1 57784314 DPRQFFZWNHHKCP-UHFFFAOYSA-N 381.820 2.872 0 40 GFAB CCOC(=O)[C@](NC(=O)NCc1ccccc1Cl)(OCC)C(F)(F)F 2050555 ZHUNMISXQXCDOT-AWEZNQCLSA-N 382.766 2.997 0 40 GFAB Cc1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 36080508 YIFITLNYFZQEDG-JRGCBEDISA-N 398.528 2.879 0 40 GFAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(F)cc2)n2nnnc2N3)cc1 10232590 CMDZLUSAIGMKRV-KRWDZBQOSA-N 375.367 2.978 0 40 GFAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 27718876 RYMSMERYIGHAMY-AAEUAGOBSA-N 375.450 2.679 0 40 GFAB CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC 3312236 NIMDSBNXJVKWIY-UHFFFAOYSA-N 399.472 2.631 0 40 GFAB O=C(OCc1nc2ccccc2o1)c1cccc(S(=O)(=O)N2CCCC2)c1 8270070 RSKUFIARXACSBW-UHFFFAOYSA-N 386.429 2.969 0 40 GFAB O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)NCc1ccccc1Cl 36593377 WPFHUFDUYHDPKV-OAHLLOKOSA-N 375.812 2.654 0 40 GFAB C[C@H](NCc1ccccc1CN1CCCC1)C(=O)N1CC(=O)Nc2ccccc21 12887466 XHHPTJBAVPOQDK-KRWDZBQOSA-N 392.503 2.746 0 40 GFAB Cc1nn(C[C@H](O)COc2cccc(Br)c2)c(=O)c2ccccc12 12865597 FTYBELDIOXJWIX-AWEZNQCLSA-N 389.249 2.907 0 40 GFAB CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@@H]1CCS(=O)(=O)C1 12815643 NPZPBLCWWMMXDI-SNVBAGLBSA-N 388.515 2.633 0 40 GFAB O=C(O)C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccco1 3618820 VTBWVDOPEARKSI-MRXNPFEDSA-N 398.415 2.768 0 40 GFAB O=S(=O)(NCCC1=CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 26747472 UXYXTTMEWNSDLL-UHFFFAOYSA-N 379.450 2.852 0 40 GFAB COc1ccc(OC)c(C[C@H](C(=O)Nc2cccc(C)c2C)c2nn[nH]n2)c1 6207517 XHYZEZZOPXNJSU-INIZCTEOSA-N 381.436 2.799 0 40 GFAB O=C(CN1CCN(CCOc2ccc3c(c2)CCC3)CC1)N1CCCCCC1 69861393 HHEBFUPSDKZMSH-UHFFFAOYSA-N 385.552 2.574 0 40 GFAB COc1ccc(Br)c(C(=O)NCC(=O)OCc2ccccc2)c1 17638496 GNMWMCIKMNWBNL-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 14016210 IBTNLFPGAPXIQR-UHFFFAOYSA-N 386.496 2.804 0 40 GFAB CNC(=O)CN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 14196770 BJMXYQIWOLGPSK-UHFFFAOYSA-N 396.878 2.940 0 40 GFAB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1cc(Cl)ccc1Cl 4512369 MCUPLIBUCFXMBW-NZTKLZGJSA-N 384.215 2.673 0 40 GFAB CCc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)cc1 14246827 NPVKOVVITLIZCU-OAHLLOKOSA-N 378.519 2.940 0 40 GFAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)ccc21 6552830 YJXCTYVOODDWKG-UHFFFAOYSA-N 391.353 2.579 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Cl 5570203 VUNMKYFFQLSINR-UHFFFAOYSA-N 376.825 2.645 0 40 GFAB CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 6728344 YOJUFULMIZHFPS-UHFFFAOYSA-N 382.869 2.680 0 40 GFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 4815162 MZNSVYLYJRELLA-GFCCVEGCSA-N 388.917 2.952 0 40 GFAB Nc1c(C(=O)NCc2ccccc2)nnn1Cc1cccc(C(F)(F)F)c1 4934460 QPQWQLHWXJZDGB-UHFFFAOYSA-N 375.354 2.857 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3cccc(C)c3C)c(=O)c2=O)cc1 67256117 ULDIMRAVKMKXFN-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB O=C(CNC(=O)c1cccc(Cl)c1)NCc1ccc(N2CCCC2=O)cc1 7490790 SKYIRSZZZHNOKG-UHFFFAOYSA-N 385.851 2.513 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)c(OC)c1 16007154 WLYMOGHIHHZROX-HKUYNNGSSA-N 380.400 2.613 0 40 GFAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCC(=O)c1ccc(F)cc1 16046613 ZJTNFBHFKSZTMV-UHFFFAOYSA-N 385.391 2.721 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207286 AIOVAIQMTVONCI-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB COc1ccc(CCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC 7899814 GQWBDYQDWXHLER-UHFFFAOYSA-N 388.489 2.683 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2C)cc1 113871876 SVVRUBJNZIUJKL-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB CCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)cc1 9117220 YNAIAXIKZNZAKU-UHFFFAOYSA-N 394.431 2.667 0 40 GFAB Cc1ccc(-c2csc3nc(CN4C(=O)NC(=O)C4(C)C)[nH]c(=O)c23)s1 96008332 RYLZLLCXHKDRCI-UHFFFAOYSA-N 388.474 2.852 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC2CC2)c1 84146426 XJVVHMSMLMEJLD-FQEVSTJZSA-N 398.528 2.945 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)cc1 408974738 CXEGJWKTAMLPKZ-UHFFFAOYSA-N 388.383 2.928 0 40 GFAB O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H](O)c1cc2ccccc2s1 79096863 IQKUBMVFHMBIHF-INIZCTEOSA-N 386.448 2.549 0 40 GFAB COc1cccc([C@@H](C)CC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 95459284 WCRGEURGCVWEMS-HNNXBMFYSA-N 397.475 2.753 0 40 GFAB CN(C)C(=O)C1(CNC(=O)Nc2ccnc(Cc3ccccc3)n2)CCCC1 95460719 POYYURMKPSRUOL-UHFFFAOYSA-N 381.480 2.838 0 40 GFAB Cc1cc(N(C)C[C@@H]2CCC[C@@H]2O)nc([C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)n1 95452742 UPDBJVBVCQAZNM-VMXHOPILSA-N 376.545 2.536 0 40 GFAB COCC1(O)CCN(C(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)CC1 89775782 XHDHIJHSZLBEIK-QGZVFWFLSA-N 381.423 2.512 0 40 GFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H](c1ccccc1F)N1CCOCC1 89813185 XIAHHWPOEHYICU-NRFANRHFSA-N 397.450 2.965 0 40 GFAB CCO[C@@H]1C[C@H]1c1nnc(N2CCN(c3cccc4[nH]ccc34)CC2)n1CC 1554072011 RKVXEFALDGLNND-VQIMIIECSA-N 380.496 2.998 0 40 GFAB COc1ccc(C(=O)[C@@H](NCc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1547139673 XNVSGARAFPUWTQ-GOSISDBHSA-N 380.400 2.771 0 40 GFAB biogenic CC(C)N1CC2(CCN(C3CCCC3)CC2)COc2ncccc2S1(=O)=O 306134524 NPZRFEICFREAGS-UHFFFAOYSA-N 393.553 2.898 0 40 GFAB Cc1cccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1C 408733429 IYGMVSNIZWGMOH-ROUUACIJSA-N 399.450 2.780 0 40 GFAB CCCCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 39976691 ZAIMFQIOIQLBSP-DYLHUKMJSA-N 381.494 2.533 0 40 GFAB Cc1c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 11865467 IGAYVHQLLWGOTO-CYBMUJFWSA-N 381.812 2.618 0 40 GFAB biogenic CC(C)c1nccn1-c1cncc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72355549 RXEDHTRNMOASRV-KRWDZBQOSA-N 382.512 2.588 0 40 GFAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)Nc1cccc(F)c1 64593478 WODNKPWSBLKTHP-UHFFFAOYSA-N 395.419 2.750 0 40 GFAB Cc1ccsc1[C@H](O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 70635777 UEIDOJFKQRFXRI-GFCCVEGCSA-N 381.397 2.967 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)c1 72374339 VOIXVSDCNZVAOJ-UHFFFAOYSA-N 398.492 2.522 0 40 GFAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861281 ZNZZCOGZBJUEHR-UHFFFAOYSA-N 382.441 2.847 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1C 224342761 XTVGGDUFKGXNPB-UHFFFAOYSA-N 375.498 2.560 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1 225007072 GCBVGFIWTXIVEK-MRVPVSSYSA-N 387.870 2.863 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 41247105 WMFRDFIOBQOVBQ-FQEVSTJZSA-N 386.517 2.897 0 40 GFAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224050559 RBOQROCVDPZFGT-KRWDZBQOSA-N 384.476 2.670 0 40 GFAB COc1cccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220100828 SABLPZVMRWWIRC-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)Nc1ccccc1F 77196676 VXKSPHCOGNRJIX-UHFFFAOYSA-N 393.426 2.981 0 40 GFAB C[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 223703573 PELJHPOHBDKCCI-AWEZNQCLSA-N 396.896 2.690 0 40 GFAB CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)CC1(C)C 575040962 XRTNDYFGYWDZDE-UHFFFAOYSA-N 391.519 2.986 0 40 GFAB O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCC[C@H](n2ccnn2)C1 583259310 JEDHKZFQACZYJJ-ZDUSSCGKSA-N 383.433 2.608 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2cccnc2)Oc2ccccc21 247466518 CSOMFKMFUCXVEM-QKZPVBNUSA-N 377.444 2.653 0 40 GFAB CC(=O)Oc1ccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 254450620 YOAQPNHBUJSENS-UHFFFAOYSA-N 377.425 2.599 0 40 GFAB NCCCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CNCC[C@@H]32)c1 257328709 XGUDZETVRINXRO-FKBYEOEOSA-N 379.504 2.632 0 40 GFAB C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)C[C@@H](C)O1 253603983 PEKCVDRHCOETBZ-VRSANHARSA-N 384.476 2.577 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260790386 ALDZAELYFLARFE-APWZRJJASA-N 390.505 2.511 0 40 GFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1 43986587 JHOFGWRIDBKPRF-UHFFFAOYSA-N 384.914 2.844 0 40 GFAB O=C(CCNC(=O)c1ccsc1)NC1CCN(c2ccc(F)cc2)CC1 53244323 MYPLOMOEVVICPV-UHFFFAOYSA-N 375.469 2.792 0 40 GFAB CC1CCN([C@H](C)CNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 60156306 SEYRUVGKFFAWJO-CRAIPNDOSA-N 377.916 2.930 0 40 GFAB CC1(C)C[C@@]2(CCCN2C(=O)CN2CCOCC2)CN1c1cccc(F)c1 1615154766 HBVVSOMOADFDMB-NRFANRHFSA-N 375.488 2.508 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253705 RODNPDDMRTYERN-UHFFFAOYSA-N 396.834 2.814 0 40 GFAB NC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl 5590692 IOMIHNAWJZUSFM-UHFFFAOYSA-N 398.271 2.984 0 40 GFAB C[C@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1cccc(Br)c1 5612244 BHFFLYJYELUQRN-JQWIXIFHSA-N 378.338 2.843 0 40 GFAB CCN(Cc1ccco1)C(=O)Cn1nc2c3c(C)c(C)sc3nc(C)n2c1=O 12144893 YTARQTUYYHPRTH-UHFFFAOYSA-N 399.476 2.673 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@@H](C)C1 13672421 UJMSMYBMVQEHKN-OAHLLOKOSA-N 380.510 2.742 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 15718186 FOQRPKYSDQWKSY-UHFFFAOYSA-N 388.489 2.522 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)CCOc1cc(C)ccc1C 15940511 LQWFWUTWCQXZBU-UHFFFAOYSA-N 385.416 2.581 0 40 GFAB Cc1nc(C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccc(F)cc2)cc(=O)[nH]1 19285377 APIKXOGZVNSJFF-MRXNPFEDSA-N 397.454 2.952 0 40 GFAB CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc2ccccc21 19716049 QMTXLALFQXTUBJ-HNNXBMFYSA-N 387.509 2.919 0 40 GFAB Cc1nc(N)c2ccc([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc2n1 19743328 MFTVHRQUAQZFDV-AWEZNQCLSA-N 394.454 2.873 0 40 GFAB COC(=O)[C@](NC[C@@H]1CCCO1)(NC(=O)CCC1CCCCC1)C(F)(F)F 19848877 VZURSNFNPHEJLE-YOEHRIQHSA-N 394.434 2.663 0 40 GFAB Nc1nc(O)cc([C@@H]2CCN(C(=O)CSCc3ccc(Cl)cc3)C2)n1 600994337 JDHUPKGYJNYKJJ-GFCCVEGCSA-N 378.885 2.667 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)[C@H]1CCc2ccccc2O1 575615350 DELCNHDPFANSGU-OAQYLSRUSA-N 392.503 2.834 0 40 GFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C 3253605 LDYXQIIUFMIVLT-ZDUSSCGKSA-N 385.445 2.730 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccs2)c1 3354231 DXSJBUGMSCREQR-UHFFFAOYSA-N 381.475 2.818 0 40 GFAB COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)[C@H](C)O 2060993445 RVBDJYGRSBCFCT-NSHDSACASA-N 398.367 2.680 0 40 GFAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C1=NS(=O)(=O)c2ccccc21 2087108463 NRPSBXXILVUFPB-APWZRJJASA-N 383.517 2.978 0 40 GFAB O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1Cl 4005003 WMTFBEMOMRWSBM-UHFFFAOYSA-N 382.851 2.506 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)c1 5189857 YRFWGJPHHRMLSW-CQSZACIVSA-N 385.420 2.639 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 11027223 VFOSGLKZHFVPSS-PHMMFBKASA-N 379.541 2.855 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)c1 16971763 YGZQDVNIRWOYRC-UHFFFAOYSA-N 391.489 2.731 0 40 GFAB Cc1ccc(C(=O)N2CCO[C@@]3(CCCN(Cc4csc(C)n4)C3)C2)o1 2055822690 CQFVPDYPOQUPEG-LJQANCHMSA-N 375.494 2.860 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCOCC1 23181840 WAMFODUFQJYLLB-SUMWQHHRSA-N 384.498 2.628 0 40 GFAB O=C(COc1cc(=O)oc2ccccc12)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 575606736 QQSLKWZJGFLNLK-OAHLLOKOSA-N 393.395 2.917 0 40 GFAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575616123 HEZQJCNGIAQCHU-OAHLLOKOSA-N 391.427 2.645 0 40 GFAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2 238876749 OFYHNELCYYJUMR-KRWDZBQOSA-N 385.895 2.919 0 40 GFAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 247854197 SQAJLAVFEKAKKH-RDGPPVDQSA-N 392.386 2.514 0 40 GFAB O=C(c1ccc(N2CCOC2=O)cc1)N1CCC(C(=O)N2CCCCC2)CC1 40093156 XNBHMWCOLXBYGC-UHFFFAOYSA-N 385.464 2.508 0 40 GFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1c1nnc2ccccn12 40009854 JJYIHXZEIUKWNB-WBVHZDCISA-N 393.447 2.708 0 40 GFAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1cnn(-c2ccccc2)c1 40012961 ZUZJMJOALOSGJI-OAQYLSRUSA-N 389.455 2.931 0 40 GFAB Nc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1 32550238 JTHZRTZDCXUYMX-GFCCVEGCSA-N 392.506 2.737 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC1CCCCCCC1 11806438 CYTMWCFPFFXOQP-SFHVURJKSA-N 378.469 2.806 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)N2CCCCC2)n1C 908183 FVQQWNOUXFPOFZ-UHFFFAOYSA-N 376.482 2.507 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)N32)OCO4)cc(OC)c1OC 1590393 HSYGXWWIEPKNOV-DJJJIMSYSA-N 399.399 2.907 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1 6326601 WAWGXZQURQTMRY-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]23)cc1OC 102896771 UGZPMZDMNOZRFU-PKOBYXMFSA-N 380.400 2.613 0 40 GFAB COc1ccc(-c2noc(CN(c3ccccc3OC)S(C)(=O)=O)n2)cc1 33428906 GZSQVVGNHATADN-UHFFFAOYSA-N 389.433 2.720 0 40 GFAB C[C@H](C(=O)NCCc1cccs1)N1CCN(Cc2ccccc2F)CC1 22810851 AISVUSQREAJGOS-MRXNPFEDSA-N 375.513 2.752 0 40 GFAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccc(OCC(F)(F)F)nc2)CCN1 47175203 MYSCDACGCQQKCM-HNNXBMFYSA-N 393.365 2.726 0 40 GFAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)on1 100159077 QCKGCOHVSUGISD-GASCZTMLSA-N 398.467 2.534 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2OC)c(OC)c1 908805 MQFNBVPJUPIMDR-IBGZPJMESA-N 397.431 2.979 0 40 GFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 12390542 STUSHGYZISJVPV-KRWDZBQOSA-N 389.452 2.855 0 40 GFAB O=C(CNc1ccccc1-n1cccn1)Nc1cccc(C(=O)NC2CC2)c1 47272859 MVNAODXSZVKLOY-UHFFFAOYSA-N 375.432 2.815 0 40 GFAB CSc1ccccc1NC(=O)COc1ccccc1C(=O)N1CCOCC1 24993208 XNSFRTFOWPCRKO-UHFFFAOYSA-N 386.473 2.898 0 40 GFAB CCc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 1421223 HABPVNJLPUVTDQ-UHFFFAOYSA-N 378.469 2.908 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nnc2n1CCCCC2 47671913 IEKFLNAQIQJRAL-HNNXBMFYSA-N 383.452 2.780 0 40 GFAB COc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)Nc1ccc3c(c1)OCO3)n2C 35686248 FLBFRQPSMNDMTD-GFCCVEGCSA-N 395.415 2.673 0 40 GFAB O=C(Nc1ccccc1O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58186431 PQKUESBHJQEDNG-HOTGVXAUSA-N 377.400 2.605 0 40 GFAB O=C(Nc1ncccc1O)[C@H]1CC(=O)N(c2ccccc2Br)C1 58687259 JTUXMTKKBYYYAR-JTQLQIEISA-N 376.210 2.541 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1 408602220 IKDRWZVOKMFJKM-AWEZNQCLSA-N 392.477 2.708 0 40 GFAB NC(=O)Cc1csc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n1 11000564 HSXPKBTTZSXGAX-UHFFFAOYSA-N 392.387 2.675 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)CCc2nc3ccccc3s2)c1 11360015 DIOYIMUQZPJZDS-UHFFFAOYSA-N 389.502 2.917 0 40 GFAB CCCc1n[nH]c(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)n1 36740912 CZHHYQPYRSLXBO-ZDUSSCGKSA-N 375.498 2.610 0 40 GFAB O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11416636 LECKJDXNWQGKHB-UHFFFAOYSA-N 389.814 2.974 0 40 GFAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)CC1 48127950 QETROOAPSIADOJ-UHFFFAOYSA-N 383.832 2.869 0 40 GFAB O=C(COC(=O)CNC(=O)c1cccs1)Nc1ccccc1C(F)(F)F 3361422 LUYSNGQUSUTIEO-UHFFFAOYSA-N 386.351 2.679 0 40 GFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 48325611 KTUCFZNDSOCRMR-CQSZACIVSA-N 388.489 2.548 0 40 GFAB COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 13038611 YTAOZWWAXVIBTE-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB COC(=O)c1cc(CNC(=O)c2ccc(-n3nccc3C)cc2)ccc1OC 13000169 HVCBTMREYQTMAG-UHFFFAOYSA-N 379.416 2.906 0 40 GFAB CCCOc1ccc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 13156500 WKLKWEQBVFSVRG-GOSISDBHSA-N 399.443 2.931 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Cl)cc1)O2 38833909 QGPUHLOJCUYWSY-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(OC)cc1 3984386 MRPWMEOGZUAXGL-MRXNPFEDSA-N 392.411 2.794 0 40 GFAB biogenic C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](CC(=O)O)c2ccccc2)C1=O 13428009 DCHUISHEHHPLIQ-GOEBONIOSA-N 382.416 2.523 0 40 GFAB CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2C)c1=O 64987515 DXXSKYFYVGCBHZ-UHFFFAOYSA-N 398.850 2.980 0 40 GFAB O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(I)cc1 6240235 JAIUQNMQPPNTAO-OAHLLOKOSA-N 381.213 2.625 0 40 GFAB CSCC[C@@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc3ccccc3c2)C1=O 14016196 QCEHCDXPSUGXJW-DYVFJYSZSA-N 385.489 2.691 0 40 GFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 6430542 CPNJUSGILNTIRU-INIZCTEOSA-N 393.443 2.977 0 40 GFAB Cc1cccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C 6422879 WDMRVICWFIXHDS-UHFFFAOYSA-N 394.349 2.632 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2c(C)noc2C)cc1 14118915 GDDYTEBDOGWPBJ-CYBMUJFWSA-N 393.509 2.742 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)c1C 4548058 VGXBQVWNHLOKKI-UHFFFAOYSA-N 386.404 2.791 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2cccc(O)c2)N2NC(SCc3ccccc3)=NC2=N1 4574825 YPESZLOGHOBJQV-QGZVFWFLSA-N 393.472 2.672 0 40 GFAB CCCOc1ccc(OCCOC(=O)c2nn(C)c(=O)c3ccccc23)cc1 5416233 PFLQZRRSUHPZAK-UHFFFAOYSA-N 382.416 2.958 0 40 GFAB COc1ccc(C(=O)N[C@H](C(=O)N2CCN(c3ccccc3)CC2)C(C)C)cc1 6551497 XLPNFCKKNQUFNO-NRFANRHFSA-N 395.503 2.798 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2N2CCCC2=O)c1 15361456 SPZSSWCCWMJVGJ-UHFFFAOYSA-N 381.432 2.959 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 7056852 HFBNIYJSTFOWEX-HNNXBMFYSA-N 385.464 2.980 0 40 GFAB CCc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 67320212 DAMZNTACWHAPOP-UHFFFAOYSA-N 381.407 2.648 0 40 GFAB Cc1cc(C)c2nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc(C)c2c1 7159115 PTLJEWINXNQGDR-OAHLLOKOSA-N 392.546 2.898 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@H](c2ccccc2)O1 67591068 VXRCOJZJVALNJI-VQIMIIECSA-N 377.448 2.939 0 40 GFAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)o1 7218702 SYKWEZQGNNLKEZ-UHFFFAOYSA-N 390.383 2.701 0 40 GFAB Nc1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(Br)cc1 8992411 AVWLOIBOXYHEGM-UHFFFAOYSA-N 386.253 2.585 0 40 GFAB O=C(NCc1ccnc(C2CC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 96008194 ZBUJCYDALLRELJ-UHFFFAOYSA-N 385.489 2.674 0 40 GFAB Cc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1C(=O)O 78877907 DVGPKBNJXCDETF-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCCSCc1ccccc1 84200432 VCUMRPNXTOSNHE-MRXNPFEDSA-N 380.510 2.672 0 40 GFAB CCOC(=O)c1cnc(C)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)c1 95453078 YMRJGZMJOQMRRY-UHFFFAOYSA-N 383.448 2.538 0 40 GFAB CCCNc1ccc(Cl)cc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 95418974 GGZSGJXPOBZQBV-UHFFFAOYSA-N 394.884 2.598 0 40 GFAB CCn1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cn1 306129137 HVNLOMVIKGVFGF-PZJWPPBQSA-N 394.500 2.720 0 40 GFAB O=C(COC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccccc1 408736303 AIPCNLFRUSSPLU-KRWDZBQOSA-N 381.384 2.740 0 40 GFAB COc1cccc2cc(C(=O)NCc3nc(-c4ccccc4)no3)c(=O)oc12 36709834 FKIWVBRUQSMIDJ-UHFFFAOYSA-N 377.356 2.782 0 40 GFAB CC(C)Cn1cnc(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)c1 510788106 TVGLLAJUMRBDLJ-MRXNPFEDSA-N 381.473 2.910 0 40 GFAB CCn1c(SCC(=O)NC(C)C)nnc1-c1ccc2c(c1)OCCCO2 33087513 ULDZVJDEKQXTKF-UHFFFAOYSA-N 376.482 2.743 0 40 GFAB Cn1cc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cn1 72346189 QZPQPXLHANMKOU-CQSZACIVSA-N 380.427 2.618 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O 44840434 BPJTYCLBXIRMSB-KRWDZBQOSA-N 393.487 2.883 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223611654 GOEMGPGYABENMQ-RBUKOAKNSA-N 382.489 2.879 0 40 GFAB CCCC[C@H](CC)CNC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 224227233 GAELDFHBPUGZOT-YJBOKZPZSA-N 382.526 2.936 0 40 GFAB CSc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44786577 HFQAKWZPPDMJAW-KRWDZBQOSA-N 392.502 2.964 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 223543839 UMUOGVNDEFTWNA-MRXNPFEDSA-N 382.460 2.901 0 40 GFAB C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NC(C)(C)C)n1 225894652 GUMONUNQQSWCIA-CQSZACIVSA-N 392.573 2.777 0 40 GFAB Cc1cccc(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 220128966 TVBPBFWLUJFARB-OAHLLOKOSA-N 396.534 2.792 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)/C=C\c2cccs2)c(=O)[nH]c1=O 97985986 QNWFVUYQTYYOFK-HJWRWDBZSA-N 390.509 2.683 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 96226883 FRYYXTHIEXXRHV-UYAOXDASSA-N 385.489 2.683 0 40 GFAB CCOc1ccccc1N1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O 96308954 JREGZNGXKAZGEU-HXUWFJFHSA-N 393.487 2.535 0 40 GFAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OC(C)C)cc2)o1 96114505 YVNYKEQRXADSJB-INIZCTEOSA-N 376.405 2.974 0 40 GFAB biogenic O=S1(=O)NCC2(CCN(Cc3ccsc3)CC2)COc2ccccc21 96037113 ZRKQTLDRCNIXCB-UHFFFAOYSA-N 378.519 2.701 0 40 GFAB CCCNC(=O)c1cn(-c2nc(CNc3cccnc3)c3ccccn23)cn1 96155556 IANCPZBUYXHMLS-UHFFFAOYSA-N 375.436 2.667 0 40 GFAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N=c1cc2ccccn2[nH]1 585082455 WCIIUIDVTYRMJZ-IBGZPJMESA-N 376.460 2.694 0 40 GFAB CCn1ccnc1[C@H]1OCCC[C@@H]1N=c1nc(-c2ccc(OC)c(OC)c2)[nH]o1 585082517 BLXCZSHAWXTSBN-YOEHRIQHSA-N 399.451 2.724 0 40 GFAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257301130 RXCPTDUMTOKJDV-CQSZACIVSA-N 378.473 2.868 0 40 GFAB CC(C)c1cc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)on1 257226594 FLHJDUWLYPEMDK-WYRIXSBYSA-N 388.424 2.608 0 40 GFAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CN2CCOCC2)o1 257317316 VJGZBLODXAZZOB-LJQANCHMSA-N 399.491 2.660 0 40 GFAB CN(Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)COc1ccccc1 257206775 BEVUXJGFJVJNRZ-FQEVSTJZSA-N 398.503 2.560 0 40 GFAB O=C(NCCc1ccccc1N1CCOCC1)c1cc(C(F)(F)F)cnc1O 635977044 SVDXVOIVWYXLRS-UHFFFAOYSA-N 395.381 2.615 0 40 GFAB Cc1nc(O)c2c(n1)CN(C(=O)CCc1ncc(-c3ccc(F)cc3F)o1)C2 636282783 VLWXCZUSGBOQBG-UHFFFAOYSA-N 386.358 2.899 0 40 GFAB COc1ccc([C@@H](CN2CCCC2)NC(=O)c2c3c(nn2C)CCCC3)cc1 679412531 WUIYRDJZOZIUOT-HXUWFJFHSA-N 382.508 2.874 0 40 GFAB O=C(COCc1ccccc1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390828931 CFWCJXHHKZXIPK-QGZVFWFLSA-N 379.503 2.653 0 40 GFAB O=S(=O)(NC1CCN(c2cnsn2)CC1)c1ccccc1C(F)(F)F 585148904 MEVZELLEHWXTOG-UHFFFAOYSA-N 392.428 2.504 0 40 GFAB Cc1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(C)n1Cc1ccco1 58432570 QYDFRJQYBZLYCE-QGZVFWFLSA-N 379.464 2.935 0 40 GFAB Cc1cccc2c1OC[C@H](NC(=O)Nc1ccnc(OCC(F)(F)F)n1)C2 1662726492 YONLLIWFANPDKS-GFCCVEGCSA-N 382.342 2.851 0 40 GFAB COC(=O)c1ccc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 12949775 DYICIOYQXXUASS-UHFFFAOYSA-N 389.351 2.850 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)C[C@@H](C)O1 12999731 VYZCNYUIVOISED-OKILXGFUSA-N 392.452 2.876 0 40 GFAB Cc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 13008945 BBEIJANDNZFZPI-UHFFFAOYSA-N 390.491 2.858 0 40 GFAB Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1NC(=O)c1ccco1 15700832 PTAVJRVELNWADZ-UHFFFAOYSA-N 391.431 2.593 0 40 GFAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 16246755 WZHXSPWZDFLGBW-CRWXNKLISA-N 381.450 2.694 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccc(F)cc2)N(C)C)n1C 19289261 LOJWZXJXBIXBNQ-GJZGRUSLSA-N 377.489 2.643 0 40 GFAB CCc1cc(C(=O)N2Cc3ccc(OC)cc3C[C@H]2C2CCOCC2)n(C)n1 19522153 YXOKAKZSHCNDOX-FQEVSTJZSA-N 383.492 2.985 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)n1 19572938 DNBZVSRIYBPITH-PXNSSMCTSA-N 396.539 2.983 0 40 GFAB CN(C)c1ncc(-c2cncnc2)c([C@@H]2CN(CCc3ccccc3)CCO2)n1 19694894 JNHIIDLVWPBZGS-FQEVSTJZSA-N 390.491 2.616 0 40 GFAB Cc1ccncc1Nc1ccc2c(c1)CN1CCC[C@@H]1C(=O)NCCOCCO2 643572394 BBTYSXDZLJFFBY-HXUWFJFHSA-N 396.491 2.623 0 40 GFAB O=C(c1n[nH]cc1Cl)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12126630 CXMOHNSAHBIDMN-QMMMGPOBSA-N 399.764 2.539 0 40 GFAB COc1ccc2c(c1)CN(C(C)=O)C[C@]1(CCCN(C[C@@H]3CCOC3)CC1)O2 12366038 YYIHRCSCLJKSPA-PGRDOPGGSA-N 388.508 2.697 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)c1F 244975038 HZCQZNXDTXWSGN-QGZVFWFLSA-N 399.466 2.906 0 40 GFAB Cc1ncnc(N2CCN(C(=O)c3ccccc3Br)CC2)c1F 1888859358 UAWHRIDQKAXUJH-UHFFFAOYSA-N 379.233 2.649 0 40 GFAB CN(Cc1c2c(nn1C)CCC2)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888903758 RBNBWXWZYABRTN-UHFFFAOYSA-N 392.482 2.826 0 40 GFAB COc1cc(C(=O)OCc2ccccc2Cl)cc(OC)c1OCC(N)=O 25063846 ZLHHUDLBMZAKGW-UHFFFAOYSA-N 379.796 2.578 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037840575 NOIOTQYSDGQNOG-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)c2cc(F)cc(F)c2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 2037843759 HXBFZEHKSIVBFH-FTEYMNFISA-N 380.435 2.625 0 40 GFAB Cc1ccc(-n2nnc3c(SCC(=O)NCc4ccccc4)ncnc32)cc1 4166633 FRVTUOFDACMKGW-UHFFFAOYSA-N 390.472 2.927 0 40 GFAB COc1ccc(-n2nnc3c(SCC(=O)N4CCCCCC4)ncnc32)cc1 4166736 FCYBTJLREPNZIK-UHFFFAOYSA-N 398.492 2.714 0 40 GFAB COc1ccc(N2C(=O)N(c3cccc(C)c3C)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4387465 RCDXQGIDBCMNIK-RTBURBONSA-N 386.473 2.924 0 40 GFAB CSc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940744 CGUILSITOPEEGB-NSHDSACASA-N 376.459 2.580 0 40 GFAB O=C(NCc1nnc(SCC(=O)N2CCCCCC2)o1)c1ccc(F)cc1 5107422 SZJRKWBVGRSFSZ-UHFFFAOYSA-N 392.456 2.633 0 40 GFAB COc1cn(CC(=O)Nc2ccccc2)c(CSc2ncccn2)cc1=O 10254869 WTARGNUJJVXSDA-UHFFFAOYSA-N 382.445 2.578 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@@H](S(=O)(=O)Cc3ccco3)C2)cc1 585267889 KRMYPIROTCXAPA-ZPHJMFTNSA-N 395.502 2.578 0 40 GFAB COc1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 15425470 PZMGOQNCCJPJKP-UHFFFAOYSA-N 385.445 2.898 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCOCC2)ccc1F 22767383 HGUUOLFVDDQUJI-KRWDZBQOSA-N 384.498 2.547 0 40 GFAB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1C 23107336 RWJUYFJYBWVXAE-HXUWFJFHSA-N 399.466 2.571 0 40 GFAB C[C@](O)(CNS(=O)(=O)c1ccc(Br)s1)Cc1ccsc1 618255426 PGMCTLXDOKQXGP-GFCCVEGCSA-N 396.353 2.844 0 40 GFAB Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c(O)n2n1 22627644 FDXZJNNMRLECFE-CQSZACIVSA-N 380.420 2.629 0 40 GFAB Cc1cc2c(cc1S(=O)(=O)NCC13CC4CC(CC(C4)C1)C3)NC(=O)CO2 8783045 KHXPMZWPMMTJNK-UHFFFAOYSA-N 390.505 2.821 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 40158693 BAHHIKHZZKRKHT-SFHVURJKSA-N 384.407 2.987 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)S(=O)(=O)Cc1cc(C)on1 40106397 RFGCTSLSIIAPPD-NSHDSACASA-N 386.857 2.895 0 40 GFAB Cc1ccc(-n2cnnn2)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 40142399 DRPPMLBBTBUVJL-AWEZNQCLSA-N 396.476 2.523 0 40 GFAB CSc1nn(CCCN(C)C)c2nc3sc4c(c3c(=O)n12)CCCC4 40288237 DOXVVCWAEOYKBP-UHFFFAOYSA-N 377.539 2.658 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 40478491 IFMXMOUNSRMTAX-UHFFFAOYSA-N 381.432 2.611 0 40 GFAB Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100557655 WDTQHPVAXAGVJS-HNULKUCHSA-N 395.455 2.553 0 40 GFAB COc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc(OC)c1OC 20427289 QZSOJOIIGOOWRR-HNAYVOBHSA-N 384.432 2.871 0 40 GFAB CCCc1noc([C@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CC)n1 31738442 QBHNHOQBHYRHEV-JTQLQIEISA-N 395.510 2.892 0 40 GFAB Cc1cc(Br)ccc1NC(=O)C1=NN(c2ccccc2)C(=O)CN1 45956155 SKPKONSGYFPLCR-UHFFFAOYSA-N 387.237 2.646 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc(C(=O)N(C)C)c1C 2632477 HXCXDOUITFOYBJ-UHFFFAOYSA-N 395.525 2.605 0 40 GFAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(OC)c1OC 1009638 UTUCJOOOWDZJHM-OAHLLOKOSA-N 376.434 2.527 0 40 GFAB O=C(CSc1nc2ccccc2o1)NC[C@H]1CN(Cc2ccccc2)CCO1 21586261 LHSMGEBOGWZFRD-KRWDZBQOSA-N 397.500 2.937 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cccc(CN3CCCC3=O)c2)n1 21530301 FBNOEBMPTNRXHR-UHFFFAOYSA-N 387.461 2.623 0 40 GFAB COc1ccccc1NC(=O)C1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 29905155 JADBSMLIWLUBGJ-QGZVFWFLSA-N 387.524 2.993 0 40 GFAB COc1c2c(cc3c1[C@@H](C[C@H](O)[C@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 4061875 TWOLFEWIKVSGFO-XHSDSOJGSA-N 377.481 2.909 0 40 GFAB Cn1c(=O)n(CCC(=O)OCc2nc(-c3cccs3)no2)c2ccccc21 21734068 NQNSLJMIUQCMNF-UHFFFAOYSA-N 384.417 2.585 0 40 GFAB CCCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccncc1 4860970 PWGKCQZPQRKSMZ-UHFFFAOYSA-N 389.510 2.895 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 6880411 SXGJICPXIPJORG-UHFFFAOYSA-N 396.896 2.724 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 7601874 VHLWBDUJPIIYBQ-CFDVYZKQSA-N 396.399 2.957 0 40 GFAB CCn1c(COC(=O)c2ccc(C)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 7737379 WTDQUUVIOIHWHX-UHFFFAOYSA-N 391.449 2.565 0 40 GFAB COC(=O)[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)C(C)C 32909301 NWYNGNBNICKMCE-OAHLLOKOSA-N 394.269 2.871 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 8037056 XVHLOUZJEBNKET-INIZCTEOSA-N 396.443 2.792 0 40 GFAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 22287260 HPUJSSJSFWYASP-BETUJISGSA-N 394.459 2.872 0 40 GFAB C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1F 22394208 ARVCQINCZZYXCF-ZDUSSCGKSA-N 379.457 2.636 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 23761309 RSUOLEOLJXXUTP-OAQYLSRUSA-N 388.533 2.850 0 40 GFAB O=C1CSC(=O)N1[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 28283997 XWWUGMFMOOXMAJ-STQMWFEESA-N 388.898 2.625 0 40 GFAB O=C(C1=Cc2ccccc2OC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 24032503 XDMMSLOGVODLHP-UHFFFAOYSA-N 375.428 2.969 0 40 GFAB COc1cc([C@H]2NC(=O)c3ccccc3N2C)ccc1OCC(=O)N1CCCC1 24134144 JMTQHRCQGAALOH-NRFANRHFSA-N 395.459 2.575 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc3nc(N)sc3c2)cc1 24978373 AOSIWTSZFANJAH-NSHDSACASA-N 385.445 2.749 0 40 GFAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(I)c1O 12545976 QQXPLIWAANDWKV-AWEZNQCLSA-N 396.184 2.860 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)Cc1csc(NS(C)(=O)=O)n1 12525899 SLWUPECWDWZZLN-UHFFFAOYSA-N 389.886 2.666 0 40 GFAB CC(C)Oc1ncc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1Cl 58227856 ZNNWTAAPBQQYFR-UHFFFAOYSA-N 376.779 2.889 0 40 GFAB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@H]2CCc3ccccc3C2)s1 58214498 QVOOWSUHXJFTGC-WBMJQRKESA-N 378.519 2.781 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cc(OC)cc(OC)c2)C1 58325465 XVHXPBGPPBQTBU-IBGZPJMESA-N 397.431 2.840 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 24611045 NEINIOLXDSMMJP-UHFFFAOYSA-N 386.517 2.853 0 40 GFAB O=C(Nc1ccc(CNC2=NS(=O)(=O)c3ccccc32)cc1)c1ccco1 11562994 NKYMFXSGUXTIRO-UHFFFAOYSA-N 381.413 2.771 0 40 GFAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 12786937 PQSLWQMUQARVNM-UHFFFAOYSA-N 380.187 2.959 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)NCc2ccc3c(c2)OCCO3)c1C 12817573 IPAQORQPSUJIDW-UHFFFAOYSA-N 383.448 2.855 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21 12999355 CXIMVTMDJDZEBI-UHFFFAOYSA-N 398.406 2.958 0 40 GFAB O=C(Nc1cccc2ncccc12)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13012163 KKOTVGOUQWOPBV-AWEZNQCLSA-N 389.411 2.998 0 40 GFAB COc1ccc(N2C(=O)C[C@]3(CC(c4ccc(OC)c(OC)c4)=NO3)C2=O)cc1 5305042 MPTOSTKDQIUBAP-OAQYLSRUSA-N 396.399 2.539 0 40 GFAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 14139526 WCHGFGCQVSDQKI-UHFFFAOYSA-N 384.461 2.645 0 40 GFAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1c[nH]c2ccccc12 5573629 QAVYPRZNRRQTGL-LBPRGKRZSA-N 386.429 2.968 0 40 GFAB CCOC(=O)COc1c(/C=C\c2cc(C(F)(F)F)[nH]c(=O)n2)cccc1OC 5607668 NOBSDHAYMWCXBH-FPLPWBNLSA-N 398.337 2.910 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)CN(C)Cc1ccccc1OC 7004143 GNUNETWJEWXNKI-UHFFFAOYSA-N 383.492 2.787 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cc1 9154502 ADHXXHQQEQKKHA-CQSZACIVSA-N 378.494 2.563 0 40 GFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2c(C)cc(C)cc2Cl)c2ccccc2O1 7255128 VSPNCPJMJDDMRX-KRWDZBQOSA-N 387.867 2.909 0 40 GFAB COC(=O)c1ccc(/C=C/C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 9155739 YEEHFLVQAQJZJJ-RMKNXTFCSA-N 384.457 2.533 0 40 GFAB COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 7349560 GYOFLJLXNKRTLP-CYBMUJFWSA-N 396.896 2.930 0 40 GFAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccccc1Cl 67285790 BACULKDWCLQRCE-KRWDZBQOSA-N 377.872 2.853 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 7828948 YRSZTJONOHHIEO-UHFFFAOYSA-N 392.503 2.634 0 40 GFAB NC(=O)c1c(NC(=O)COc2ccc(-c3nnco3)cc2)sc2c1CCCC2 7984698 SXVCWLCFFYEYPK-UHFFFAOYSA-N 398.444 2.793 0 40 GFAB O=C(COC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccccc1 408736305 AIPCNLFRUSSPLU-QGZVFWFLSA-N 381.384 2.740 0 40 GFAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC)CC(=O)NC(C)(C)C 71796280 FWNWXDBOPVOXTC-YJBOKZPZSA-N 375.513 2.594 0 40 GFAB CCOC(=O)CSc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 26018795 YOJMTASEQAPEBL-UHFFFAOYSA-N 381.523 2.796 0 40 GFAB Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN(C(=O)N(C)C)CC1 71948473 XZRVMMSCYUMSPI-UHFFFAOYSA-N 375.904 2.692 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@]3(CCCNC3=O)C2)cc1 306139052 SOCYVAOZMMXFBH-QGZVFWFLSA-N 386.464 2.736 0 40 GFAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc(Br)cc3c1OCOC3)CC(=O)O2 95480417 NROTWGYFIDKYSF-LLVKDONJSA-N 392.205 2.753 0 40 GFAB CC(C)c1nc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 85878358 LJRAQNRLHXLESE-QGZVFWFLSA-N 391.431 2.766 0 40 GFAB biogenic COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 409391805 OSSCXHWWLPEPRE-QGZVFWFLSA-N 394.537 2.663 0 40 GFAB CN1CC2(CCN(Cc3cccnc3)CC2)c2nc(C(C)(C)C)ncc2C1=O 306126745 FDVVLPPHAURZKG-UHFFFAOYSA-N 379.508 2.789 0 40 GFAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 32094469 ZHWSSLKMAHZIDC-HNNXBMFYSA-N 380.375 2.919 0 40 GFAB Cc1sc(-n2cnnn2)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C 524732272 BIXMFJMZMHBGLH-UHFFFAOYSA-N 396.520 2.735 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)ccc1C 408625999 XUGXHNDFVAOQQY-UHFFFAOYSA-N 378.450 2.563 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349309 MLHCZPAQCHSBFG-INIZCTEOSA-N 377.485 2.797 0 40 GFAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1 72334924 ATSMLLOVPVYNAP-CQSZACIVSA-N 393.447 2.583 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3nn(C)c(C)c3Cl)c12 36619111 YLQYYWBLJSILTJ-UHFFFAOYSA-N 385.815 2.879 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)cc1 72389574 LKVLJUUEFGGIMM-HNNXBMFYSA-N 395.507 2.523 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 44246058 UJCFIZZLCZQWEV-ZDUSSCGKSA-N 382.424 2.871 0 40 GFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1CCCN1CCOCC1 223167784 UORXBURSLLEINS-QZTJIDSGSA-N 388.562 2.838 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC2CCCCC2)s1 222861124 FRTKZLTYPJQXPC-UHFFFAOYSA-N 380.495 2.710 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)CCc4cccc(Cl)c4)nnc3c2)n1 225745492 GYXOOVWLXJQHEB-UHFFFAOYSA-N 396.838 2.990 0 40 GFAB CCCCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223209878 PHFQPFMAWQKLHX-UHFFFAOYSA-N 388.902 2.912 0 40 GFAB COc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 224412709 QCZDESRFXYYKON-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB OC[C@H]1CCC2(CCOCC2)CN1Cc1nc(O)c2cc(Cl)ccc2n1 528636554 CTIAQMDVNCEBMY-CQSZACIVSA-N 377.872 2.742 0 40 GFAB CSc1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 220058756 ZYDLJFFBWXUPBA-UHFFFAOYSA-N 378.519 2.833 0 40 GFAB CCN(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 226048494 PCBKHQHKUUCDCI-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1 48355020 OOTQQIMJKXRNCY-UHFFFAOYSA-N 393.468 2.560 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccccc2C)cc1 224000870 GKLGVUCGOQMPDM-UHFFFAOYSA-N 376.478 2.590 0 40 GFAB COc1ccc(OC)c2[nH]c(C(=O)Nc3cccc(-c4nnn(C)n4)c3)cc12 96116779 JSNALVNGFVVZCG-UHFFFAOYSA-N 378.392 2.628 0 40 GFAB COc1ccc2oc(CN3CCN([C@@H](C(N)=O)c4ccccc4)CC3)cc2c1 585084448 HPHZNPAHMCJDTD-OAQYLSRUSA-N 379.460 2.786 0 40 GFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260892724 FCMBYWHVKGVMMF-NEPJUHHUSA-N 376.906 2.664 0 40 GFAB O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@@H]1CC[C@H](C(=O)O)NC1 657220338 HEQTYTSAHUXCGL-CZUORRHYSA-N 389.839 2.705 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2cc3ccccc3o2)cc1 96097291 YEQLCDNBBXOXNO-KRWDZBQOSA-N 388.445 2.793 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)s1 96366930 NUYHQYXSQVSPGH-CQSZACIVSA-N 399.559 2.938 0 40 GFAB Cn1cc(C(=O)N2CC3(CC[C@H](CN4CCCCC4=O)CO3)C2)c2ccccc21 575403356 JLQNETXDHYHOQW-QGZVFWFLSA-N 395.503 2.812 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=CC=NN2[C@H]3C(=O)c2ccccc2)cc1 135912376 HDJVVYZNPLXMGE-FUMNGEBKSA-N 385.423 2.592 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CC(NC(=O)c2cnn(C)c2)C3)c1 585104461 NRLNOQTTWPKNNZ-UHFFFAOYSA-N 380.492 2.852 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(Cn2nc(C)cc2C)CC1 77099452 XSHPBQDUDMCXSC-UHFFFAOYSA-N 381.473 2.749 0 40 GFAB NC1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)CC1 631900333 OOXADIQDGJCZNA-UHFFFAOYSA-N 391.440 2.941 0 40 GFAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2N)cc1 5021550 RZXFTCSNGXSBCX-GFCCVEGCSA-N 397.460 2.815 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cccc(F)c1 5615788 OSXNCJHYSVXSSZ-JXMROGBWSA-N 378.425 2.737 0 40 GFAB Cc1nn(CC(=O)Nc2ccc(N(C)C)cc2)c(=O)c2cc3sccc3n12 12088517 QMOHVEJKMYSOEZ-UHFFFAOYSA-N 381.461 2.724 0 40 GFAB CN(C)[C@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc2c(c1)OCO2 12148651 LVXSBAAKUUQMHD-GOSISDBHSA-N 383.423 2.928 0 40 GFAB O=C(C1CCCC1)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182235 UCFIFAAFNOZNGJ-KRWDZBQOSA-N 395.459 2.820 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2[nH]c3ccccc3c2C)n1 12366076 WWZZKLSNTFSEKT-NHJWOMDBSA-N 392.503 2.900 0 40 GFAB COC[C@@H](C)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 12558279 LKMJQSWBEWSTKL-VHSXEESVSA-N 380.539 2.642 0 40 GFAB NC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c1 12850932 QHDIHTFUGBUEOK-UHFFFAOYSA-N 380.326 2.722 0 40 GFAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711788 GYNZUABTEDSLSK-IBGZPJMESA-N 390.505 2.898 0 40 GFAB COCCN1C(=S)N[C@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C 14244771 UZJMFSWULNQADS-CQSZACIVSA-N 399.310 2.774 0 40 GFAB COc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc(Cl)c1OC 18023010 CDBHDQBCCQRJQV-UHFFFAOYSA-N 395.843 2.503 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 19203090 LCSOXJOBBCDTTB-UHFFFAOYSA-N 394.836 2.680 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2ccc(C)s2)C3)CC1 19217051 IHFNZVSVLPWQJW-UHFFFAOYSA-N 384.505 2.771 0 40 GFAB O=C(Cc1ccccc1F)N1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19348035 QCULBXZASFXIMP-HNNXBMFYSA-N 378.407 2.530 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)c1 19588946 QQRRKQKQFMZHDD-LJQANCHMSA-N 396.491 2.849 0 40 GFAB O=C(CSc1nnc(-c2cccs2)o1)N1CCN(c2ccccn2)CC1 7485831 ZOXRVGCBPOUNQC-UHFFFAOYSA-N 387.490 2.634 0 40 GFAB Cc1cc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)nc(N2CCCC2)n1 1889099128 RSOMTONMWFRBFI-UHFFFAOYSA-N 381.528 2.799 0 40 GFAB CC(=O)Nc1ccn2ncc(C(=O)N3CCN(c4ccccc4Cl)CC3)c2c1 244986325 JQGMNHIPWPUNGA-UHFFFAOYSA-N 397.866 2.909 0 40 GFAB CC(=O)n1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(-c2ccccc2)n1 707283 YJPVRKFTJDSIBI-WOJGMQOQSA-N 386.436 2.981 0 40 GFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3C)ccc12 2712375 INDOXRRGDPNFGY-UHFFFAOYSA-N 394.427 2.809 0 40 GFAB COc1cc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc(OC)c1OC 4032820 WLTCTBLCIWDUAQ-UHFFFAOYSA-N 396.443 2.835 0 40 GFAB CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 4328606 LCSIPFOVHZXKKZ-UHFFFAOYSA-N 380.451 2.736 0 40 GFAB O=C(C[C@@H](NCCc1ccccc1)C(=O)O)Nc1ccc(OC(F)F)cc1 5258787 KMFYYFSDTIGFCO-MRXNPFEDSA-N 378.375 2.902 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)CCCc3ccccc3)CC2=O)cc1OC 5221738 GABHWNGYHQVVLI-QGZVFWFLSA-N 382.460 2.948 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(F)c(F)c4)cnc32)cc1 10251469 PNUQCCAGBJQHMS-UHFFFAOYSA-N 381.342 2.553 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775965431 OXHJEKLQCKXZFE-CQSZACIVSA-N 393.465 2.946 0 40 GFAB O=C(NCCOc1ccccc1)NC[C@](O)(c1ccccc1)C1CCOCC1 575612363 LZKWKGPTNVXMAZ-QFIPXVFZSA-N 384.476 2.679 0 40 GFAB O=C1CN(C(=O)CCC(=O)OCc2nc3ccccc3o2)c2ccccc2N1 24267886 QWHILMYZPDLWFW-UHFFFAOYSA-N 379.372 2.637 0 40 GFAB CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40133272 LRQWQBZHQIRMSI-CQSZACIVSA-N 387.871 2.653 0 40 GFAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCO[C@@H](c2ccccc2)C1 101373486 AOOUBHCNFCNEHQ-HXUWFJFHSA-N 384.476 2.905 0 40 GFAB COc1ccc(CCNC[C@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1 20745692 NNRODKVKUHVARF-SFHVURJKSA-N 397.471 2.990 0 40 GFAB Nc1nc(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)nc(Nc2ccccc2)n1 16549249 AYOOSEBDSZCTMX-HNNXBMFYSA-N 397.822 2.898 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CC=C(c2ccccc2)CC1 32745155 JNXPDAFQIJHGLR-UHFFFAOYSA-N 381.476 2.947 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2)sc2c1CCCC2 3234735 SEBAWZRTONAFCG-UHFFFAOYSA-N 388.445 2.994 0 40 GFAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 32869633 KXAZIDRBZHSKDD-UHFFFAOYSA-N 378.494 2.856 0 40 GFAB CCOC(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1)C(=O)C(C)(C)O2 4933458 GFDIGKLZXZKTRJ-UHFFFAOYSA-N 396.443 2.684 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 7077163 AOCUNPOBQXYPIX-INIZCTEOSA-N 390.505 2.801 0 40 GFAB CN1CCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc2)CC1 7101623 XJDDAWJYLZFJJL-UHFFFAOYSA-N 384.505 2.654 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1c(C)cccc1C 7685082 XDUIQBBMGWGUAI-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 8636198 LQQWABATLLGTPL-QNWVGRARSA-N 392.547 2.696 0 40 GFAB biogenic,in-vitro CC(C)(C)C(=O)N1CCC(C(=O)OCCCn2c(=O)[nH]c3ccccc32)CC1 8880118 AECDYWGKADEEJP-UHFFFAOYSA-N 387.480 2.548 0 40 GFAB O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164988 GTGCKWFJVXDSER-MDZDMXLPSA-N 388.464 2.513 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 8628428 WSEPRTWKXMIFNX-ZDUSSCGKSA-N 381.480 2.711 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3sccc3C)CC2)cc1 23041084 XHTTUSRABYJJDD-UHFFFAOYSA-N 378.519 2.902 0 40 GFAB O=C(Cn1nc(-c2cccs2)oc1=O)NCCCn1ccc2ccccc21 23003745 CQPBIHPFVXFCMY-UHFFFAOYSA-N 382.445 2.726 0 40 GFAB O=c1c(/C=C2\SC(=S)N=C2O)c(NC[C@@H]2CCCO2)nc2ccccn12 1255060 BWOCIMCBEVYQRH-UVIKPUKZSA-N 388.474 2.615 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 1460953 LXEONESQCGSUNN-SFHVURJKSA-N 396.487 2.978 0 40 GFAB CSc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245337 LEMLUPDELJPXRL-UHFFFAOYSA-N 397.497 2.799 0 40 GFAB COc1ccc(-c2nc(O)c3c(S(C)(=O)=O)nn(-c4ccccc4)c3n2)cc1 35066921 UANHDYPHOLQQHX-UHFFFAOYSA-N 396.428 2.600 0 40 GFAB COc1cccc(-c2csc3ncc(C(=O)NCc4ccco4)c(=O)n23)c1 64787917 CDGYEVNACLOWLA-UHFFFAOYSA-N 381.413 2.955 0 40 GFAB O=c1cnc2ccccc2n1C[C@H](O)COc1ccc(Br)cc1 28920427 CBWNBBBLVGHMNU-ZDUSSCGKSA-N 375.222 2.599 0 40 GFAB COc1ccc(C)cc1C1(CNc2cnn(C)c(=O)c2Cl)CCOCC1 57149881 KCAUUKZDOPOBGC-UHFFFAOYSA-N 377.872 2.911 0 40 GFAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N(C)CCc2ccccn2)nc1 12555322 GDCNFOMDOZSCMG-UHFFFAOYSA-N 376.526 2.963 0 40 GFAB Cc1cccc(N2CCN(CN3C(=O)N[C@](C)(C4CCCCC4)C3=O)CC2)c1 12557597 PPPPIUDNYYKYNJ-JOCHJYFZSA-N 384.524 2.965 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100181036 XIQNBFWWRVWDLR-XCLVFQIOSA-N 394.475 2.930 0 40 GFAB COc1cc2c(cc1CN(CCN1CCOCC1)Cc1cccnc1)CCC2 22931496 ZNTYLDMZMJULJZ-UHFFFAOYSA-N 381.520 2.913 0 40 GFAB O=C(NCCc1nnc2n1CCCCC2)NC1CCN(Cc2ccccc2)CC1 45029539 KTBZGFAOMGPQNU-UHFFFAOYSA-N 396.539 2.511 0 40 GFAB C[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc2ccccc2c1 10814481 WHBGCHDNHYWXMF-ZDUSSCGKSA-N 379.445 2.521 0 40 GFAB CCCCCCn1c(S[C@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 3376518 GSGSAXYHCHTUDY-CYBMUJFWSA-N 390.509 2.913 0 40 GFAB CS(=O)(=O)NC1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 12747647 FULVWSTWGLHPDF-UHFFFAOYSA-N 382.489 2.815 0 40 GFAB CC(=O)O[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1 22047283 OKAAPNNOKHRHLI-OTWHNJEPSA-N 384.384 2.747 0 40 GFAB in-vitro CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(N2CCOCC2)c1 22636680 GMBRSYPIHGKUOE-UHFFFAOYSA-N 397.431 2.505 0 40 GFAB COc1cccc(C(=O)NCCc2cc3cc(OC)cc(OC)c3[nH]c2=O)c1 49597349 LQZGMZIEDMHYAO-UHFFFAOYSA-N 382.416 2.526 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 4393246 KUGGZXDTDOYROY-IETPZCKNSA-N 395.477 2.744 0 40 GFAB COc1ccc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c(C)nc2c1 14521351 JVESUFHNTJKWPD-UHFFFAOYSA-N 391.475 2.951 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)NCC1(c2ccc(OC)cc2)CCOCC1 6662466 ZRKNJTWPXQWCSK-SFHVURJKSA-N 392.496 2.630 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1F 5688130 SYYZIXQKTAXVBP-UHFFFAOYSA-N 394.472 2.558 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c1 6862053 YGFRXMDAVWKJDO-AWEZNQCLSA-N 379.416 2.993 0 40 GFAB O=S(=O)(NCc1ccccc1CN1CCCC1)c1cccc2nsnc12 19078936 UCCLHKZBPUCMPL-UHFFFAOYSA-N 388.518 2.766 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1c[nH]c2ccc(Cl)cc12 9134204 XYIBSYKZLZCOBE-UHFFFAOYSA-N 380.835 2.959 0 40 GFAB CCN(Cc1ccc(OC)c(F)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7687858 LLUGLALZZKXRQK-UHFFFAOYSA-N 392.452 2.930 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)CCOc1ccccc1C)OCO2 7736332 ASZMIXSYBKUOFT-UHFFFAOYSA-N 399.399 2.877 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N1CCc2ccccc2C1 16372321 NCRTYPPEHQPBGG-UHFFFAOYSA-N 387.430 2.810 0 40 GFAB Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 9426692 VMOBALZNNNUCCV-UHFFFAOYSA-N 392.908 2.771 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230941 AHEGGEOZQGHXQF-INIZCTEOSA-N 390.505 2.946 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)c1 20493384 BEESBZJQSRKUAO-UHFFFAOYSA-N 390.505 2.730 0 40 GFAB CNC(=O)[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2Br)o1 97165611 CJPLVYFBTWOVHJ-JSGCOSHPSA-N 393.285 2.894 0 40 GFAB CCN(CC)CCN(CCNS(C)(=O)=O)Cc1ccc(Cl)c(Cl)c1 72313468 AVWWFZSAWNRRKX-UHFFFAOYSA-N 396.384 2.686 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCOC(C)C 21779904 QGNJGZSYJSYRSA-UHFFFAOYSA-N 382.526 2.715 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cn2)c1N 21775027 XPEHWBXKCNEOLJ-UHFFFAOYSA-N 379.420 2.895 0 40 GFAB Cc1nc([C@H]2CCCN(c3nn4c(C(F)(F)F)nnc4c(C)c3C)C2)n[nH]1 95983359 WTPNMODACWQIOZ-NSHDSACASA-N 380.378 2.570 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 9987592 SJCIHGALZICEED-UHFFFAOYSA-N 385.485 2.966 0 40 GFAB COc1ccc2nc(NC(=O)[C@@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2c1 9913503 SJNWATXDASAXKP-RTXFEEFZSA-N 385.445 2.583 0 40 GFAB Cc1ccc(-c2nnn(Cc3noc([C@@H]4COc5ccccc5O4)n3)n2)cc1 89642621 SHBOCRPYVLUZGT-INIZCTEOSA-N 376.376 2.592 0 40 GFAB O=C(C[C@@H]1OCCc2ccsc21)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 89825828 VTXIGTJACBEWJB-YJBOKZPZSA-N 396.472 2.971 0 40 GFAB COc1cc(C(=O)NS(=O)(=O)c2ccc(F)cc2F)cc(Cl)c1OC 42256065 IAMPYJYDUSXDPR-UHFFFAOYSA-N 391.779 2.754 0 40 GFAB Cc1nc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)sc1C 61721157 OLEWHCQZGGHOJY-AWEZNQCLSA-N 387.509 2.619 0 40 GFAB C[C@@H]1CCCN(CCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)C1 32931451 HQXIQWLZENMHOI-QGZVFWFLSA-N 390.487 2.847 0 40 GFAB CCOC(=O)C[C@H](c1cccc(Br)c1)c1oc(CO)cc(=O)c1O 71283090 KTICPVFXXSYIKR-CYBMUJFWSA-N 397.221 2.685 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OCCS2 70637385 SWDWYVDYVOMLHZ-UHFFFAOYSA-N 383.413 2.829 0 40 GFAB CCN1C[C@@H](CN(C)C[C@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 36385434 MQWRVHHPKKOHRH-PZJWPPBQSA-N 398.503 2.848 0 40 GFAB O=C(c1cnccn1)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1 72378202 CPKFVRSVUVHIAT-QGZVFWFLSA-N 389.463 2.890 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655995 SHXDPZDBEYPMPR-INIZCTEOSA-N 392.463 2.834 0 40 GFAB O=C(CSCc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21 675008342 SNUSFYXLHFTNTI-UHFFFAOYSA-N 384.505 2.526 0 40 GFAB O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1ccc(Cl)cc1 45970493 MRZQSQDHIRCPQD-UHFFFAOYSA-N 389.868 2.745 0 40 GFAB COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cc(C)ccc2C)cc1 41124442 LEJZIFTYGVHWKS-UHFFFAOYSA-N 397.460 2.797 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)cccc2C)cc1OC 224793790 NCITWTQPVOHVOC-UHFFFAOYSA-N 379.434 2.601 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 85877679 TTYMAVKVNYSUIP-HNNXBMFYSA-N 395.415 2.513 0 40 GFAB biogenic O=C1NCCCN(Cc2nc(O)c3cc(Cl)ccc3n2)[C@@H]1Cc1ccccc1 570612894 AUGOODFKTSGGCS-GOSISDBHSA-N 396.878 2.922 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 224109343 SKIDJXYSTGOEAW-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB CC[C@@H](NC(=O)COc1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 222794727 POQKSJUFOPDSPM-GOSISDBHSA-N 377.462 2.745 0 40 GFAB CCOc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1 224372067 WFMHRLGIUKQZNR-UHFFFAOYSA-N 376.478 2.794 0 40 GFAB O=C(O)c1nnn(-c2cccc(Br)c2)c1CSc1ncccn1 85398213 OINQOBVSUNXJEJ-UHFFFAOYSA-N 392.238 2.810 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2Cl)ccc1C 223977420 INQPRIBCGNLONV-UHFFFAOYSA-N 383.853 2.792 0 40 GFAB Cn1cccc(C(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)c1=O 220893265 ZRXSQMYOXVACBH-CYBMUJFWSA-N 384.461 2.592 0 40 GFAB CC(C)CC(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1ccccc1)Cn1ccnc12 96144591 BTXRRWFVRLKAIQ-GOSISDBHSA-N 396.491 2.784 0 40 GFAB CCCc1cc2c(cc1NC(=O)[C@H](C)N1C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)OCO2 253377253 WNCMUSLFDLBVFA-JCDILYBXSA-N 396.443 2.502 0 40 GFAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257251846 JSMJFFSUHRMRJY-QGZVFWFLSA-N 392.529 2.563 0 40 GFAB COc1ccccc1N(CCCC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 250410565 YGSSGFJRPZTHHJ-HRCADAONSA-N 380.510 2.546 0 40 GFAB C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCC2 260926742 JLXSWDZAIOSZFV-QRWLVFNGSA-N 386.517 2.985 0 40 GFAB CCOC(=O)c1cnn2ccc(NC(=O)c3cc4ccccc4oc3=O)cc12 90607201 JXCLTNRNMXVUTL-UHFFFAOYSA-N 377.356 2.870 0 40 GFAB COc1cccc2c1CN(C(=O)N[C@H]1CCN(Cc3ccc(F)cc3)C1=O)C2 623937194 YBBQCVUCZKOWTA-SFHVURJKSA-N 383.423 2.661 0 40 GFAB CO[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 665789434 FULXYLBEBSUIBW-AEFFLSMTSA-N 378.425 2.957 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 585090817 ONVGQLWHJIOYIP-DGCLKSJQSA-N 380.388 2.712 0 40 GFAB CCCN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 59252786 DGPCYJCWEQXIIS-SFHVURJKSA-N 397.397 2.786 0 40 GFAB Cc1ocnc1C(=O)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615125296 YVBZDLGVFQSIHP-HXUWFJFHSA-N 387.411 2.550 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 5060668 RJRQRERMDBJNLQ-AWEZNQCLSA-N 393.443 2.579 0 40 GFAB CN(c1ccccc1C(=O)NCCSCc1ccccc1F)S(C)(=O)=O 13649736 LSKMQLTUEXWDGW-UHFFFAOYSA-N 396.509 2.885 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 17077510 JIJROGLNYQYHBP-XJKSGUPXSA-N 378.856 2.555 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)c1 19079324 QCHREHBMHBYQFG-MGPUTAFESA-N 396.491 2.604 0 40 GFAB c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19369611 RCRASJLIYQLENX-LEWJYISDSA-N 396.539 2.502 0 40 GFAB CC[C@H](C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1nc(C)cc1C 19499489 ZNFPWOGJKFQJCB-QGZVFWFLSA-N 397.479 2.920 0 40 GFAB CCCCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(C)n1 19502455 RJWGSVKLLKNUSG-UHFFFAOYSA-N 376.482 2.701 0 40 GFAB CCCc1cc(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)no1 19525298 CXTGLKFUSPGEKS-UHFFFAOYSA-N 382.424 2.795 0 40 GFAB COc1ccc(CCc2nnc(NC(=O)c3cnc(N(C)C)nc3C)s2)cc1 19552798 XPXVJVHFDOKGQA-UHFFFAOYSA-N 398.492 2.749 0 40 GFAB CN(C)c1nccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19585814 ZGHIECMEVIUETR-GOSISDBHSA-N 394.454 2.978 0 40 GFAB Cc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc2s1 19717144 RLPLDIMVZJPNDU-UHFFFAOYSA-N 388.537 2.983 0 40 GFAB Cc1cnn(CC(=O)N2Cc3cccc(C)c3NCC[C@H]3CC[C@@H](C2)N3C)c1 643574208 JCJWPVZHEZIRLT-UXHICEINSA-N 381.524 2.807 0 40 GFAB O=C(NC[C@H]1CCCO1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156644 NKWOFFQHKJBSDF-MSOLQXFVSA-N 390.455 2.801 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1OC 19560974 HAIIFIURCQLSPM-MRXNPFEDSA-N 390.505 2.882 0 40 GFAB O=C(OCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3525324 CMHMFHZZYRKJAA-UHFFFAOYSA-N 395.864 2.718 0 40 GFAB O=C(CN1CCN(CCOc2ccc(Cl)cc2Cl)CC1)N1CCCC1 39987597 CROAYXIWKVQIDG-UHFFFAOYSA-N 386.323 2.612 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909188 BHIIGLHOFAXGNQ-FQEVSTJZSA-N 377.387 2.776 0 40 GFAB O=C1COC[C@]2(CN(CCCc3ccccc3)CCO2)CN1c1ccccc1 2037980870 KRKMOBLIOWBZDN-QHCPKHFHSA-N 380.488 2.754 0 40 GFAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3C)c2=O)c1 4033813 JHWIUZYCAACZTK-UHFFFAOYSA-N 385.807 2.749 0 40 GFAB COc1ccc(-c2noc(-c3nnn(-c4cc(OC)ccc4OC)c3N)n2)cc1 5043179 NJGPZADWAUSMEG-UHFFFAOYSA-N 394.391 2.592 0 40 GFAB CCOc1ccc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 12440130 SVOAIJBTORQKPM-UHFFFAOYSA-N 383.452 2.776 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)cc(=O)o1 206965923 DMGUHPQGCNEUGJ-INIZCTEOSA-N 379.416 2.642 0 40 GFAB CN(CC(=O)NCc1nc(-c2ccccc2)no1)C(=O)c1c[nH]c2ccccc12 49027864 RLAGWFQGQXXFLW-UHFFFAOYSA-N 389.415 2.606 0 40 GFAB O=C(c1cnc2ccccc2n1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414893 OYNYCTURRRXNPU-KRWDZBQOSA-N 387.486 2.693 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(O)c1 4279878 AEUUTSSAZXRBIT-SFHVURJKSA-N 377.404 2.920 0 40 GFAB C[C@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20358214 JCPMGDVJSVYXMZ-GFCCVEGCSA-N 399.520 2.748 0 40 GFAB O=[N+]([O-])C(=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2)[N+](=O)[O-] 100673833 GHXGBUJRQJRUQY-QRWLVFNGSA-N 382.420 2.864 0 40 GFAB COC(=O)c1cc(NC(=O)CS(=O)(=O)CCCc2ccccc2)ccc1F 31751803 RMJPXODTGJCBMP-UHFFFAOYSA-N 393.436 2.598 0 40 GFAB COc1ccc(-c2nc(CC(=O)N3CCC(C(=O)O)CC3)cs2)cc1OC 32102975 OKLGSZBWNKSAJU-UHFFFAOYSA-N 390.461 2.693 0 40 GFAB COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2ccc(Cl)s2)c1 11666494 UHHPKXJJTDGSNT-UHFFFAOYSA-N 375.855 2.831 0 40 GFAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 1353493 WVJGHGKBEXUJPK-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB COc1ccc(NC(=O)[C@H](NC2CCN(C(C)=O)CC2)c2ccccc2)cc1 32853645 PAKSJXIZPFJFPQ-OAQYLSRUSA-N 381.476 2.976 0 40 GFAB CCn1nc(C(=O)OCc2cc(C(C)=O)ccc2OC)c2ccccc2c1=O 4525302 SUKSEZZVOJVCKB-UHFFFAOYSA-N 380.400 2.985 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)cc1 4998421 NPWQCSMVSMGNCV-LBPRGKRZSA-N 386.433 2.735 0 40 GFAB CCN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 6517664 LFZYMXVDMLWXDM-UHFFFAOYSA-N 382.533 2.884 0 40 GFAB COc1cc(Br)cc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c1O 6525884 HIVFQGHQOKGWOO-WMZJFQQLSA-N 386.227 2.808 0 40 GFAB COc1ccccc1CNC(=O)COc1ccc(I)cc1 7034752 IHSUUULGIMSGBN-UHFFFAOYSA-N 397.212 2.995 0 40 GFAB CN(Cc1ccsc1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 8184675 DNAHICBJSQEDRS-UHFFFAOYSA-N 384.505 2.687 0 40 GFAB Cc1ccccc1-n1c(-c2ccccc2)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 12463151 PZVUUYUGEZHLNN-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)cc1 819366 YYQMRTANTHMOMK-HXUWFJFHSA-N 376.412 2.597 0 40 GFAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 957806 AUHPGQIVTLTUJB-CQSZACIVSA-N 381.501 2.942 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc(-c3cccnc3)cs1)C2=O 12516783 JDHAFYVJSKBLOF-CWTRNNRKSA-N 399.476 2.644 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@H](C2)N3Cc2cc(F)ccc2F)n1 100146492 OFWNTOTYPDBNLO-QZTJIDSGSA-N 389.446 2.778 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)NC2CCCCCC2)Oc2ccc(Cl)cc21 20487653 DQZKZIDZFQASEJ-INIZCTEOSA-N 386.901 2.706 0 40 GFAB CC[C@H](C)n1c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S 100747931 HHYFLAYINTXGAI-MGPLVRAMSA-N 391.493 2.835 0 40 GFAB biogenic COc1ccc(N([C@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 10110236 HWGPUVBMUDCGHI-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 108682027 BBQPRWHHCWLAOR-FQEVSTJZSA-N 393.487 2.557 0 40 GFAB O=C(COc1ccc(C(F)(F)F)cc1)NC1CCN(c2ncccn2)CC1 44525079 WJFWQQWTSZKXGX-UHFFFAOYSA-N 380.370 2.659 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCc3cnn(-c4ccccc4)c3)CC2=O)cc1F 27132985 RPIBRUXUTXIOQS-KRWDZBQOSA-N 392.434 2.989 0 40 GFAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCc2ccccc2C1 35833093 LYARGELQZLDYIN-UHFFFAOYSA-N 393.443 2.960 0 40 GFAB CC(C)C(NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)C(C)C 113956883 MRHGWSJCWVMCIR-GFCCVEGCSA-N 376.469 2.916 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)ccc1F 27975995 REVOCQPXEKQBIB-UHFFFAOYSA-N 381.289 2.838 0 40 GFAB CCCc1c(C(=O)NCc2cccnc2-n2cccn2)[nH]c(C)c1C(=O)OC 48250347 RTXXTOVAZHVVQI-UHFFFAOYSA-N 381.436 2.573 0 40 GFAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 12774049 WRBYIXIPYNTKJW-UHFFFAOYSA-N 394.443 2.674 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1C 12754610 PVDPUGFPOKZAHM-KRWDZBQOSA-N 383.473 2.861 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@H](C)Cn3cccn3)c3cnn(C)c3n2)cc1 36613365 RPOMPYUVXMMWJA-CQSZACIVSA-N 390.447 2.659 0 40 GFAB CCCC1(CCC)NC(=O)N(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C1=O 3459347 SVOINTICKFGONF-UHFFFAOYSA-N 391.468 2.882 0 40 GFAB CCOc1ccccc1-c1nc(CC(=O)N2CCN(C(=O)C3CC3)CC2)cs1 12996798 ZVLSKTRVWMYKPQ-UHFFFAOYSA-N 399.516 2.832 0 40 GFAB Cc1cccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C 12914646 WXXNOKNQOYWYFG-INIZCTEOSA-N 376.478 2.524 0 40 GFAB CSc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)c1 12995147 HTQVQEMUXYFMNF-FQEVSTJZSA-N 381.457 2.956 0 40 GFAB biogenic CNC(=O)[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 8778205 WMIKMVNGOAEUMY-DVQDXYAYSA-N 392.864 2.654 0 40 GFAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(S(C)(=O)=O)s2)cc(C)c1Cl 27748500 KGAOSKPOGSUWQA-SECBINFHSA-N 389.886 2.618 0 40 GFAB COc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)c(OC)c1 5179980 LKEJREBINGESJW-SAYABCIWSA-N 391.452 2.886 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(C(C)(C)C)s1 65590796 BKAMADATSROQJL-NSHDSACASA-N 381.523 2.921 0 40 GFAB COc1ccccc1-n1nnc(C(=O)Nc2cccc(Br)c2)c1N 8992504 WDAQSMABZOQMPX-UHFFFAOYSA-N 388.225 2.873 0 40 GFAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](C)c1ccccc1 5489138 IUZVLNCGTSTSIH-GJZGRUSLSA-N 377.448 2.832 0 40 GFAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(OC)cc3OC)n2)cc1 5452069 AGLLEWXTQGXDIH-UHFFFAOYSA-N 381.388 2.511 0 40 GFAB CC(C)[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)NC(N)=O 6532396 NGSRAMSLWRIXFA-OAHLLOKOSA-N 399.476 2.898 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 6602788 HCSUBUWVPAELMO-MOPGFXCFSA-N 394.471 2.557 0 40 GFAB CCc1ccccc1NC(=O)[C@H](Cc1ccc(OC)cc1OC)c1nn[nH]n1 5667814 IIISEMBNUUKRCF-MRXNPFEDSA-N 381.436 2.744 0 40 GFAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 6753018 KRFWRUQOPREVLJ-FQEVSTJZSA-N 379.416 2.719 0 40 GFAB COc1cc(-c2csc(CCN3N=C(C)CC3=O)n2)cc(OC)c1OC 4863733 QFYCZIYXOCNMCJ-UHFFFAOYSA-N 375.450 2.987 0 40 GFAB COc1cc(C[C@H]2CC(CN3CCCCCC3)=NO2)c(OC)c2c1OCO2 15085878 VNDUAOKBTMOHMM-INIZCTEOSA-N 376.453 2.996 0 40 GFAB CC(C)CCC(=O)NCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 67105915 RBQYWRIUIHPZEC-UHFFFAOYSA-N 379.932 2.973 0 40 GFAB COc1cc(C(=O)NCCO)cc(Br)c1OCc1ccccc1 409369344 BEEIMGFEYUGEPG-UHFFFAOYSA-N 380.238 2.759 0 40 GFAB COc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1OC 9169698 HJMSSACXYMJPIH-AWEZNQCLSA-N 377.400 2.928 0 40 GFAB Cc1ccc(N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F 7388924 WDJZRCVVDUVJEH-CYBMUJFWSA-N 379.457 2.824 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858541 ILZZSNFCXSLBHZ-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)c1 67962498 GBHOAIWBKGTKSP-KKSFZXQISA-N 395.503 2.819 0 40 GFAB COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 409249585 NNVUVMWRTAJJCH-WOJGMQOQSA-N 380.400 2.640 0 40 GFAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 96794669 WUBCKFVZUVLJGY-OWCLPIDISA-N 399.457 2.852 0 40 GFAB NC(=O)c1ccsc1NC(=O)CSc1nnc(NCc2ccco2)s1 9882631 YJEGBBJXKIKDGM-UHFFFAOYSA-N 395.491 2.634 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)c1ccc(C)c(C)c1-n1cnnn1 79477370 YBNVHZOZLQQVSR-UHFFFAOYSA-N 390.447 2.672 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1 26832518 SIELUPMHDMULJQ-UHFFFAOYSA-N 388.489 2.686 0 40 GFAB Cc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 22432094 OXXZWJYDGKMXQR-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22273045 CKKNUPGATJFLDP-CQSZACIVSA-N 394.468 2.722 0 40 GFAB CC(=O)N1CCC[C@H]1c1nc(C(=O)N(C)Cc2ccccn2)c2ccccn12 306129213 HXOUOEMPVIMDHO-SFHVURJKSA-N 377.448 2.685 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(C)cc1 408701749 FACZZGVOGNTNAW-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COc1ccccc1Cc1cccc([C@H]2CCCN2CC(=O)N2CCOCC2)n1 72357634 MBFQDGRJEISNMU-OAQYLSRUSA-N 395.503 2.677 0 40 GFAB CCc1cccc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 33655199 LHNATXQSOHXATL-AWEZNQCLSA-N 376.478 2.872 0 40 GFAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1CCOC[C@H]1c1nc[nH]n1 551393162 IVTCZFUAGRHNQM-AWEZNQCLSA-N 388.428 2.597 0 40 GFAB O=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)NCc1ccco1 6915326 BBFSCSVRFYZZFI-UHFFFAOYSA-N 375.837 2.887 0 40 GFAB O=C(c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCCCCC1 33325421 CUGDLEKPEUVFQW-CQSZACIVSA-N 393.534 2.987 0 40 GFAB CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218110043 KXIVXQSPCJRQCT-HKBOAZHASA-N 389.517 2.925 0 40 GFAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 44914562 QYNRKTDUNSZQSK-QGZVFWFLSA-N 378.900 2.964 0 40 GFAB Cc1cccc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1C 223959656 RKBFMFYWAJULMZ-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CC(C)N1CCN([C@H]2CCN(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)C2)CC1 568601370 SQYMFDJZNJTBKN-WSTZPKSXSA-N 386.540 2.709 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCc2cc(OC)ccc2OC)ccc1Cl 223897453 IYDIYQIGMRTGMJ-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(OC)c1 224798760 CYDCZGIQKVVRCD-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 45960840 BNELOWNDLMQILE-UHFFFAOYSA-N 394.474 2.901 0 40 GFAB CC(C)Oc1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 44901323 ZWYUBTNGOUURMT-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB Cc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1C(=O)N1CCOCC1 572064206 JFIHUNHXBWEQPU-UHFFFAOYSA-N 394.475 2.715 0 40 GFAB COc1ccc([C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225944366 YDPGSNXLPNWIGR-FZKQIMNGSA-N 394.468 2.692 0 40 GFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(OC)ccc2OC)c1 223676703 ITCCEBYDAUBMOY-UHFFFAOYSA-N 379.434 2.990 0 40 GFAB Cc1cc(C(=O)NCCCc2ccc(F)cc2)ccc1N(C)S(C)(=O)=O 222479418 OSSSVXQGLNWYOX-UHFFFAOYSA-N 378.469 2.893 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1onc(-c2cccnc2)c1C(=O)O 96296995 XNNRMFFCJFCTKP-SNVBAGLBSA-N 381.344 2.655 0 40 GFAB biogenic,in-vitro CCCCn1c(I)cnc1I 96675809 OYHLEWMOGUKOHN-UHFFFAOYSA-N 375.979 2.892 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)n2)cn1 1082907499 GSLBNBVBJKLTJH-QPJJXVBHSA-N 394.387 2.589 0 40 GFAB O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@](O)(CN2CCCC2)CC1 257314171 UVPLZFGWBFHUEW-OAQYLSRUSA-N 386.471 2.669 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 250659657 DLDAEOMDHGTYPP-BBRMVZONSA-N 378.856 2.555 0 40 GFAB CNc1nc([C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1CN(C)CC2 257278297 OBRMQZARIBZQBH-SFHVURJKSA-N 393.535 2.682 0 40 GFAB O=C(O)c1sccc1CN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 656764542 YTNDOWHXKJBHIS-HNNXBMFYSA-N 380.491 2.853 0 40 GFAB Cn1ncc(C2CC2)c1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 659135821 VXILNMZIIAJUIY-KRWDZBQOSA-N 396.447 2.629 0 40 GFAB Cc1noc([C@H]2CN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C[C@@H](C)O2)n1 628856682 CRVWDENSNQMALT-ATZDWAIDSA-N 384.480 2.579 0 40 GFAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3c(F)cccc3F)cc2C1 96096301 DZXNUGRLUOPCLA-UHFFFAOYSA-N 382.388 2.890 0 40 GFAB Nc1cc(-c2cccs2)nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1=O 12146751 MFOVNLXSGPRIDG-UHFFFAOYSA-N 384.505 2.639 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)c(C)c1 12929989 FWMKYAAFMBLKFH-QGZVFWFLSA-N 381.476 2.875 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711206 DMQWQCMQVCCARH-SFHVURJKSA-N 376.478 2.556 0 40 GFAB Cc1cccc(CN2CCCN(C(=O)[C@H](C)Cn3cc(Cl)cn3)CC2)n1 19236263 CPQHGBQOMRTSBA-OAHLLOKOSA-N 375.904 2.611 0 40 GFAB O=C1NC2(CCN(C(=O)CCn3ncc4ccccc43)CC2)Nc2ccccc21 19376593 YXJSZVFOFOHPII-UHFFFAOYSA-N 389.459 2.601 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c(C)c1C 19556150 QQWUSNZSJIRRLC-VLIAUNLRSA-N 396.539 2.949 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19583518 BCPRFURWGDCALS-CYBMUJFWSA-N 383.477 2.560 0 40 GFAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)COC)C1 19591109 HEMOIJMLRXEVQV-NRFANRHFSA-N 386.517 2.959 0 40 GFAB Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)cc12 19709271 FHJSVKGWLBPPOO-MRXNPFEDSA-N 392.507 2.576 0 40 GFAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3cnccn3)CC2)C1 19712753 CMSJCBQBJLXHSF-ICSRJNTNSA-N 380.492 2.981 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(=C/c1ccccc1)NC(C)=O 4564638 CGMNWDUNBWZPCD-VVTMIQRTSA-N 382.416 2.743 0 40 GFAB COc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)N2CCCCC2)cc1 663435943 SYZNRYLEPXWXPN-PIPMEXSNSA-N 389.540 2.882 0 40 GFAB COc1cccc(C(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c1OC 1888875698 YBDVNTJXJDDZFX-HZPDHXFCSA-N 394.475 2.580 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)ncc1F 1888890959 WAWMQBVLBCFIEL-GJZGRUSLSA-N 379.439 2.624 0 40 GFAB CN([C@H]1CCN(c2cnc3ccccc3n2)C1)S(=O)(=O)Cc1ccccc1 1888967207 IRCLSIOQACLMEL-KRWDZBQOSA-N 382.489 2.670 0 40 GFAB CC(C)c1noc(CN2CCN(c3cc(O)nnc3-c3ccccc3)CC2)n1 1852131329 QYPIXUHIUGOTJV-UHFFFAOYSA-N 380.452 2.678 0 40 GFAB O=C(O[C@H](CO)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 1772572807 MEDCQBUTCWNKGW-CLWVCHIJSA-N 399.344 2.716 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)s1 2709791 MYLXRBOTBJTVBT-UHFFFAOYSA-N 386.882 2.675 0 40 GFAB CCc1ccccc1N1C(=O)N(c2ccc(OC)cc2)[C@H]2CS(=O)(=O)C[C@H]21 4387459 APAAZXCOACJHRQ-RBUKOAKNSA-N 386.473 2.870 0 40 GFAB COc1ccccc1-n1ccnc(SCC(=O)NCc2ccccc2)c1=O 4853126 BWMXIGIQLYEHSR-UHFFFAOYSA-N 381.457 2.650 0 40 GFAB O=C1CCc2cc(NS(=O)(=O)c3cc(F)ccc3F)cc3c2N1CCC3 5154084 QRBFNSXTGNIREL-UHFFFAOYSA-N 378.400 2.991 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCC3)c1 9520783 TXRSTENGBHLGKE-UHFFFAOYSA-N 391.475 2.790 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(c4ccnc(C)n4)CC3)c2F)cc1 1775970368 DIHYPHPVMYEQTO-UHFFFAOYSA-N 380.427 2.716 0 40 GFAB CN(c1nccn2nccc12)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775973832 GUYXSIIZXGAZKU-UHFFFAOYSA-N 393.401 2.790 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccccc2)C(=O)N1C 585148644 AADRBPMTJNKUBX-KPFFTGBYSA-N 387.457 2.592 0 40 GFAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2ccccc2)CC3=O)CC1 20671330 PQAAOQDYRIGRTC-KRWDZBQOSA-N 394.475 2.976 0 40 GFAB COc1cc(NC(=O)CN2CCN(c3ccccc3C)CC2)cc(OC)c1OC 25411447 QWGRNCYMOQYFMO-UHFFFAOYSA-N 399.491 2.782 0 40 GFAB COc1ccc(CN(C)C(=O)COC(=O)c2cnn(-c3ccccc3)c2)cc1 40023654 PCBCMNFEYXNZRK-UHFFFAOYSA-N 379.416 2.696 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)c1 31813908 IKRCYSAERAPRLX-LLVKDONJSA-N 390.465 2.670 0 40 GFAB CCN(CC)C(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 68204491 YCVVWHRPJGRVJQ-IBGZPJMESA-N 379.460 2.704 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 1351258 ZUUNHYNXCRVTIA-UHFFFAOYSA-N 391.401 2.595 0 40 GFAB O=C(/C=C/c1ccco1)NCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 32826435 DYVAYQQFRRSKKT-CTDFXDFQSA-N 381.476 2.752 0 40 GFAB CCCOc1ccc(C(=O)CCC(=O)N2CCC(c3nncn3C)CC2)cc1 32809829 CPVAOBGIFGOMGW-UHFFFAOYSA-N 384.480 2.973 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 4570912 DJWCWHWZKXZWJC-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccc(C)cc1 4911403 RYKNBMGSJLJUCG-INIZCTEOSA-N 386.477 2.692 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 8040691 LVQBDPULMIWTDI-OAHLLOKOSA-N 386.448 2.868 0 40 GFAB Cc1noc(C(C)C)c1C(=O)OCC(=O)N[C@H](c1ccccc1)c1nccn1C 22282594 BHNKYJXAPRLXSM-GOSISDBHSA-N 396.447 2.903 0 40 GFAB CC(C)(C)C(=O)NCCC(=O)Nc1cc2c(cc1Br)OCCO2 22523389 GXLAOBUABCFMQF-UHFFFAOYSA-N 385.258 2.711 0 40 GFAB O=C(CNc1ccc(F)c(F)c1F)NC(=O)Nc1ccc2c(c1)OCCO2 22907388 ZJPAZSSDYXXSHG-UHFFFAOYSA-N 381.310 2.635 0 40 GFAB CCc1ccccc1NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 12557094 VJPIFCSWHWBWSX-UHFFFAOYSA-N 377.418 2.623 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)c2ccccc2O1 24982852 KLXZABGRCDQEJI-QGZVFWFLSA-N 377.400 2.804 0 40 GFAB CN1CCc2nc3ccccc3c(C(=O)OCC(=O)NCc3ccccc3)c2C1 25156086 XRJMSZNHNDJUOX-UHFFFAOYSA-N 389.455 2.696 0 40 GFAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 1410313 VQCXSQAULZDUSK-UHFFFAOYSA-N 390.314 2.923 0 40 GFAB O=C(CN1CCN(c2nccs2)CC1)Nc1cccc(Br)c1 57463409 VLNBGJNPQMMOFH-UHFFFAOYSA-N 381.299 2.666 0 40 GFAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 52411027 UMXNDRNEKHADCW-OAHLLOKOSA-N 395.459 2.827 0 40 GFAB CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc(OC)ccc21 22235913 XQKCPRQJPBKCSQ-UHFFFAOYSA-N 391.471 2.992 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 57848473 SYGBLDNGXOOQGB-UHFFFAOYSA-N 379.460 2.853 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2F)C[C@H](C)O1 58381450 OTHDCVHMAWRSMD-KBPBESRZSA-N 391.468 2.804 0 40 GFAB Cc1ccc(-c2noc(COC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1 10912391 XGQVRMHJONYIFL-UHFFFAOYSA-N 376.372 2.567 0 40 GFAB COC(=O)c1cccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 12747900 QQMQSOHTDNFCNY-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCN(Cc2csc(C)n2)CC1 25222503 PYMNQWIFFSULBW-UHFFFAOYSA-N 380.495 2.649 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1C 16455363 BUSKNQIGVIETQB-HXUWFJFHSA-N 385.395 2.623 0 40 GFAB C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-n2cncn2)cc1 12817351 ZFATZOOEZIAVMX-ACJLOTCBSA-N 393.472 2.948 0 40 GFAB COc1cc(/C=C/C(=O)N[C@@H](CC(=O)O)[C@@H]2CCOC(C)(C)C2)ccc1O 4090737 ANWMARCYGUNBQT-ZWXLGZMVSA-N 377.437 2.579 0 40 GFAB biogenic O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NCc2ccccc2Cl)c2ccccc21 4045732 ZUAVWGDAPOBCFV-LPHOPBHVSA-N 384.819 2.816 0 40 GFAB biogenic CCOc1cc2c(cc1NC(=O)CN1C(=O)COc3ccccc31)O[C@@H](C)C2 18238500 NWCPCZZJHABDKK-ZDUSSCGKSA-N 382.416 2.773 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2ccccc2F)cc1 5279608 NJDHLPZWTFQPAT-UHFFFAOYSA-N 394.468 2.551 0 40 GFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1ccc(Cl)cc1Cl 14018438 QOAJZWQDDWDHND-ZIAGYGMSSA-N 381.259 2.603 0 40 GFAB CCCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]c1=O 6482190 VSUWRAYULKHHAO-UHFFFAOYSA-N 376.360 2.611 0 40 GFAB CN(C)C(=O)[C@H](Sc1nnc(Cc2ccccc2F)n1N)c1ccccc1 14245274 MLONLXHMKXKQMM-QGZVFWFLSA-N 385.468 2.643 0 40 GFAB CCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCOCC1 4705135 ZLQQIBSMRAYBLW-UHFFFAOYSA-N 384.432 2.961 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2c(c1)OCCO2 15027530 AOCILJORKUELFA-FQEVSTJZSA-N 382.416 2.916 0 40 GFAB CNc1snc(C)c1C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 8752760 PIBVAZDZAHPOAJ-UHFFFAOYSA-N 390.490 2.798 0 40 GFAB Cc1cccc(CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 15843074 CDVRPSRKIXJRDC-UHFFFAOYSA-N 386.473 2.628 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=S)NC1CC1 7561133 CEWQNNJOMFPGIF-UHFFFAOYSA-N 383.539 2.709 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Oc1ccc(N3CCCC3=O)cc1)C2=O 19211922 BRSDJFGVNLCENK-UHFFFAOYSA-N 392.411 2.714 0 40 GFAB CCc1ccc(NC(=O)[C@@H](Cc2cc(OC)ccc2OC)c2nn[nH]n2)cc1 9434900 KKZFAFAFGBIRRV-KRWDZBQOSA-N 381.436 2.744 0 40 GFAB COc1ncc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1C(N)=O 83915236 QOGYVTPZZMJCDE-UHFFFAOYSA-N 386.408 2.633 0 40 GFAB Cc1cccn2c(=O)cc(OC(=O)COc3ccc(Br)cc3)nc12 72427431 KNLXFAQFLQDCQP-UHFFFAOYSA-N 389.205 2.750 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O 408613186 VTCIDZZQRAKWLC-UHFFFAOYSA-N 382.526 2.999 0 40 GFAB CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NCc1cccnc1 89943630 BREKYPJILGGKNC-QGZVFWFLSA-N 375.494 2.750 0 40 GFAB C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-n2ccnc2)cc1 551115699 LNPXGRZQZHZFJA-MRXNPFEDSA-N 384.505 2.973 0 40 GFAB O=C(NCCCO)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409147551 MSNOEICKOHJFBC-UHFFFAOYSA-N 396.428 2.601 0 40 GFAB Cc1[nH]nc(NC(=O)[C@H]2CCn3cncc3C2)c1-c1ccc2c(c1)OCCO2 534276415 XNTRQKXAQNUXIX-AWEZNQCLSA-N 379.420 2.554 0 40 GFAB O=C(NC1CN(C(=O)OCc2ccccc2)C1)c1cc(C(F)(F)F)ccn1 1556991553 ICABCNPAPYSDJM-UHFFFAOYSA-N 379.338 2.851 0 40 GFAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218535380 SDLAFJXOWAOMLD-YESZJQIVSA-N 386.300 2.871 0 40 GFAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)no1 31115176 AVCCRWCTUJLNJC-LBPRGKRZSA-N 392.253 2.757 0 40 GFAB COc1ccc2[nH]c([C@H]3CCN(Cc4ccc(S(C)(=O)=O)cc4)C3)nc2c1 35446823 WYHCQLWYRFUULF-HNNXBMFYSA-N 385.489 2.965 0 40 GFAB biogenic,in-vitro Cc1cc(Oc2ccccc2F)nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 72384402 SZKWTZFNAHGBEU-OAHLLOKOSA-N 381.411 2.929 0 40 GFAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCc3ccccc3)ccc21 225721626 ZIMXUVCBKPHTBS-UHFFFAOYSA-N 376.503 2.994 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@H](O)c2ccccc2F)nn1 225580245 MUXWWGORKLSQRQ-FQEVSTJZSA-N 393.422 2.605 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386179 YWGVJQSIHDWGJI-VMSUTVGLSA-N 390.395 2.607 0 40 GFAB Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225909677 LYHFVSGXMCWGBX-KRWDZBQOSA-N 383.521 2.813 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223629475 XCIRRHKHFRSEHO-UXHICEINSA-N 393.516 2.681 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](O)(c1cccs1)C1CC1 77099527 MBZJBCGIPRTLAH-INIZCTEOSA-N 387.910 2.986 0 40 GFAB Cc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225676698 VSIGDXXDVNDKKV-UHFFFAOYSA-N 376.503 2.820 0 40 GFAB Cc1ccc(N2C[C@]3(COCCN(Cc4ccsc4)C3)OCC2=O)s1 96051456 ALGUVPDMJPTKAV-GOSISDBHSA-N 378.519 2.752 0 40 GFAB O=C(NCc1nccc(C(F)(F)F)n1)N1CCCN2c3ccccc3C[C@@H]2C1 578845804 AUXIJSMDMZOLPA-CQSZACIVSA-N 391.397 2.842 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)c1 96105422 VXKLAEAPQSSKHQ-UHFFFAOYSA-N 377.444 2.722 0 40 GFAB CCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(F)cc1 260736864 JCNCWBYIPYUSOV-CQSZACIVSA-N 376.453 2.814 0 40 GFAB Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1N 616350756 MTGBGRGHNKVYTC-KRWDZBQOSA-N 377.448 2.842 0 40 GFAB COc1ccc(-n2cc(CNC(=O)N3CC(Cc4ccc(C)cc4)C3)nn2)cc1 664375898 YOPGLFYCHCCXEH-UHFFFAOYSA-N 391.475 2.968 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C 664360490 SWCCSRSWALAYRT-WTJOJIPSSA-N 384.480 2.811 0 40 GFAB Cc1ccncc1[C@H]1CCN(S(=O)(=O)c2ncccc2Br)C1 606445728 KFMUQBPABUMBII-LBPRGKRZSA-N 382.283 2.726 0 40 GFAB C[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)c1ccsn1)CCO2)C(C)(C)C 1615611345 KMBIFIYHVXMFKN-AWEZNQCLSA-N 379.526 2.659 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CN1CCC(c2nnc(C)s2)CC1 49365646 KFRIMNLEGUUUFG-UHFFFAOYSA-N 388.493 2.841 0 40 GFAB COCCc1nsc(N2CCN(c3cccc(Br)c3)CC2)n1 553591945 AZHXENSFVYCFCA-UHFFFAOYSA-N 383.315 2.816 0 40 GFAB Cn1ccnc1[C@@H]1CN(CCCc2c(F)cccc2F)C[C@H]1NC(=O)C1CC1 1614625591 HIQISBBVUSPYDB-VQIMIIECSA-N 388.462 2.625 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 5388032 JRDLMBVZNLHEIN-UHFFFAOYSA-N 383.429 2.787 0 40 GFAB CC(=O)O[C@@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)O)[C@]2(Cl)C(=O)O 5664680 CBODUWBNIBXAQZ-JSJNYSNDSA-N 386.787 2.986 0 40 GFAB CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cc2ccccc2oc1=O 12084744 FEIKUBALVXOHTP-GOSISDBHSA-N 393.443 2.682 0 40 GFAB Cc1nc2cc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3N4)ccc2n1C 12145750 MVSVWFVBBDTELU-UHFFFAOYSA-N 389.459 2.670 0 40 GFAB Cc1cc(C)nc(N2CCC(CNC(=O)CCn3ncc4ccccc43)CC2)n1 12185449 ZTDQBUDRVAJFFT-UHFFFAOYSA-N 392.507 2.866 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccs2)N1Cc1ccncc1 13691025 XAQAWWYPSZJMHM-HKUYNNGSSA-N 386.498 2.992 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 19333286 XBXQBMROFIQYSK-GOSISDBHSA-N 378.407 2.877 0 40 GFAB O=C(c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1)N1CCC(O)CC1 19334014 WPIDWYXHDVDHCT-INIZCTEOSA-N 387.455 2.790 0 40 GFAB NC(=O)CCC(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 19719841 SESJMZMWRAAWMD-UHFFFAOYSA-N 383.395 2.979 0 40 GFAB Cc1nc2cc([C@@H]3C=CCN3C(=O)c3ccc4c(c3)OCCO4)nn2c(O)c1C 100208489 MDTATQUUZHOCJU-INIZCTEOSA-N 392.415 2.576 0 40 GFAB Cc1ccccc1-n1c(CC2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)n[nH]c1=O 225549386 BWWGFWQQRURGSL-GBESFXJTSA-N 392.503 2.862 0 40 GFAB COCC(=O)N1CCC[C@@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236795 PAKPTZKICUOCIO-UTKZUKDTSA-N 381.476 2.746 0 40 GFAB CN(C)c1cccc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)c1 1888866726 ZSCOGGQQXYUEIX-ROUUACIJSA-N 377.492 2.628 0 40 GFAB Cc1nc(N2CC[C@@H](COc3ccc(C(C)(C)C)nn3)C2)c2cnn(C)c2n1 1888876170 WWCOVPQGVJTUST-CQSZACIVSA-N 381.484 2.665 0 40 GFAB Cn1ccc(CN2CC[C@@H](COc3ccc4nc(C(C)(C)C)cn4n3)C2)cc1=O 2087023451 GFKYRFSWIDVEGZ-QGZVFWFLSA-N 395.507 2.626 0 40 GFAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 1005025 VHDJPNZIUIWILN-UHFFFAOYSA-N 384.417 2.538 0 40 GFAB Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)no1 3959173 GMUUZEVJAYPHBL-UHFFFAOYSA-N 384.396 2.958 0 40 GFAB COc1ccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)c(OC)c1 5054899 SCIBSWDFBKXZFD-UHFFFAOYSA-N 380.400 2.747 0 40 GFAB CCc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3OC)n2)cc1 5397804 WUQADRQKABRMRM-UHFFFAOYSA-N 377.444 2.798 0 40 GFAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2cccc(C)c2)n1 7420409 DRKOGTUPDOXKLB-UHFFFAOYSA-N 381.436 2.542 0 40 GFAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3cccc(C(F)(F)F)c3)cnc21 10250831 VYLSSBWOQIGHDZ-UHFFFAOYSA-N 379.342 2.751 0 40 GFAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)C(=O)Nc1ccc(F)cc1F 12342507 RPHJERPTBJIAKN-UHFFFAOYSA-N 385.370 2.767 0 40 GFAB Cn1nc(C(=O)N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)c2ccccc21 585629562 AHKHWVNGKVZHNW-UHFFFAOYSA-N 391.475 2.560 0 40 GFAB Nc1nc(SCc2ccccn2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 5082235 TXIRDVKWYVJHKQ-UHFFFAOYSA-N 389.387 2.570 0 40 GFAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c1 19569749 HWHAFWVCNSMBSX-ZWKOTPCHSA-N 394.519 2.913 0 40 GFAB Cc1oc2cc(OC(=O)CN)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 19703445 NQGPNJDXRIYWIO-UHFFFAOYSA-N 381.384 2.794 0 40 GFAB biogenic Cc1ccc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)nc1 32488934 XJCATGNNCNIDQQ-UHFFFAOYSA-N 376.210 2.517 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 40106278 KKSIVDQZMRINQR-RYUDHWBXSA-N 383.495 2.502 0 40 GFAB CN(C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1)c1ccccc1 40120484 NMFVWEQSCPJKSD-UHFFFAOYSA-N 379.504 2.863 0 40 GFAB COc1ccc(NC(=O)CNC(=O)c2ccccc2OC)cc1OC(F)F 30928695 IOHWXKCIGKZKLH-UHFFFAOYSA-N 380.347 2.674 0 40 GFAB COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1OCc1cccnc1 31409555 CTFFAYLSWTUVBX-UHFFFAOYSA-N 383.448 2.866 0 40 GFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2cccc(F)c2)C1 51290511 XMVIUDTWJDPWGG-AUUYWEPGSA-N 388.464 2.886 0 40 GFAB C[C@H](NC(=O)[C@@H](C)Sc1nnnn1Cc1ccco1)c1ccc(F)cc1 11678152 CSMLFDRVJFFEKE-NWDGAFQWSA-N 375.429 2.812 0 40 GFAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2c(F)cccc2s1 46051589 JYKIUBNTGNKBEH-CZUORRHYSA-N 378.469 2.508 0 40 GFAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc2C1 4517990 RREYTNUGDDAIBN-UHFFFAOYSA-N 378.475 2.954 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1C 6479151 BMNNPWHENCEYPD-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(C)c2OC)C1=O 6648284 NITAFLYYJRTJQK-GDNBJRDFSA-N 392.477 2.965 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(F)cc3)sc2c1 7655143 WWONUEMYAKTDRF-UHFFFAOYSA-N 380.422 2.856 0 40 GFAB C[C@@H](OC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)NC1CCCCCC1 11940485 ZNIHDXNCVJNQKA-RHSMWYFYSA-N 375.469 2.557 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CN2CCCCC2)CC1 100750085 MJZOLIIROKGTRO-XQBPLPMBSA-N 386.540 2.667 0 40 GFAB COc1ccccc1OCCOc1ccc([C@H]2CC(=O)Nc3ncnn32)cc1 8237520 IXZBUFPJVPDQSC-MRXNPFEDSA-N 380.404 2.676 0 40 GFAB CCOc1ccc(-n2nc(C(=O)NCCO)nc2-c2cccc(Cl)c2)cc1 8476397 HDXQKTXHRNPASO-UHFFFAOYSA-N 386.839 2.709 0 40 GFAB Cc1cnc(NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)s1 22576291 LGOISZXFQQYBDP-MRVPVSSYSA-N 394.250 2.837 0 40 GFAB COc1ccc(CN(C)C(=O)C2=NN(c3ccccc3)C(=O)CC2)c(OC)c1 29267245 PNKDTDYYQDXQRD-UHFFFAOYSA-N 381.432 2.845 0 40 GFAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)NCCCCCC(=O)O)c3)C(=O)[C@@H]2C1 106379377 QCEWONAHOVMTNB-QZTJIDSGSA-N 398.459 2.907 0 40 GFAB O=C(Nc1cnccn1)C1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 47365743 CLAODKCSOWGUNR-UHFFFAOYSA-N 394.479 2.959 0 40 GFAB C[C@H]1CN(CCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)C[C@H](C)O1 24924280 FUSHYTUXGOFIJZ-HOTGVXAUSA-N 385.464 2.761 0 40 GFAB COc1cccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)c1OC 1465273 NFSGAPAQXMOTTJ-QGZVFWFLSA-N 392.419 2.618 0 40 GFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 25572126 TUMAHFHNHGDZAZ-ROUUACIJSA-N 395.503 2.973 0 40 GFAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@]1(C)CCS(=O)(=O)C1)CO3 57134874 RLWWAMQYVGNPQH-GOSISDBHSA-N 397.880 2.792 0 40 GFAB Cc1cccc(CCCOC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)n1 79052299 NKBXBPFVXBFCTG-IBGZPJMESA-N 390.505 2.869 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1910787 SXGOMZZBHBZRCI-LJQANCHMSA-N 394.427 2.798 0 40 GFAB O=C(Nc1ccc(Cl)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 58157817 OBIUITRCHOKYAM-UHFFFAOYSA-N 378.881 2.823 0 40 GFAB COc1ccc2c(c1)CN(C(=O)c1ccc(=O)n(-c3ccc(F)cc3)n1)CC2 58175225 YHBVFOJMTBQPSV-UHFFFAOYSA-N 379.391 2.579 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 22227157 ORKHZNMAYAEPQJ-UHFFFAOYSA-N 380.535 2.680 0 40 GFAB O=C(Cc1csc(N2CCCNC2=O)n1)Nc1ccccc1OC(F)F 58245515 QWKLCJPUYCBSRK-UHFFFAOYSA-N 382.392 2.845 0 40 GFAB O=C(Cc1c(F)cccc1Cl)Nc1cnn(CC(=O)NC2CCCC2)c1 58202870 RUQQYCGOPZBIMB-UHFFFAOYSA-N 378.835 2.916 0 40 GFAB COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1c(C)nn(C)c1C 58210885 LZFBSAYSFFDNPI-MDZDMXLPSA-N 375.856 2.905 0 40 GFAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(O)c(C(=O)O)c1 20152577 REYPKCDWICCPCF-UHFFFAOYSA-N 380.809 2.879 0 40 GFAB CCOc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 12762261 ACSVJMFNUCKWRW-UHFFFAOYSA-N 399.466 2.550 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCCC3)CC2=O)cc1 12875083 WSZNDVNSAJOCMZ-DOTOQJQBSA-N 386.492 2.983 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940770 NIYPBWYPKBBHFH-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB CC[C@@]1(c2ccc(NC(=O)c3ccnc(C4CC4)n3)cc2)CCC(=O)NC1=O 69696226 POSGBUDFYQNSFZ-NRFANRHFSA-N 378.432 2.691 0 40 GFAB C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1nc(-c2ccc(F)cc2)no1 64534649 MTMUPICNXRENTN-JTQLQIEISA-N 379.351 2.603 0 40 GFAB Oc1ccccc1OCCOCCOCCOCCOc1ccccc1O 5119025 VFGLBBOQPBEAPF-UHFFFAOYSA-N 378.421 2.605 0 40 GFAB biogenic O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(F)cc1 65197795 XIFWPYCDIOUMOK-UHFFFAOYSA-N 386.358 2.520 0 40 GFAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCC1 6256507 FEMBBMRMILSBSG-UHFFFAOYSA-N 396.509 2.623 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccc(Cn3cccn3)cc2)cc(C(=O)OC)c1 14264242 HUTZDQDMUIATRY-UHFFFAOYSA-N 393.399 2.757 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 4738927 XMVTWPKWFSGFIT-IAGOWNOFSA-N 375.488 2.759 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)[C@H]2C(C)C)cc1 4778703 NOMYBNIQODJDGF-GOSISDBHSA-N 379.526 2.889 0 40 GFAB Cn1c2ccccc2c2nnc(SCCN3C(=O)c4ccccc4C3=O)nc21 4748507 AJSKWLKAFAEXDY-UHFFFAOYSA-N 389.440 2.905 0 40 GFAB Cn1ncc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1C(F)F 66302971 PFBDBAGABFRKGT-HNNXBMFYSA-N 398.841 2.814 0 40 GFAB COc1cccc(CN(C(=O)c2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 6810893 JSIGVEJACVTLQY-KRWDZBQOSA-N 389.473 2.533 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C1=O 4915854 GTRUDZSJTUUBAT-CQSZACIVSA-N 395.381 2.657 0 40 GFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 5956143 ZROWFOVAOFZGNF-UHFFFAOYSA-N 382.397 2.993 0 40 GFAB COc1cccc(Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)c1 67259943 CTASQYVZDMJZBO-UHFFFAOYSA-N 381.823 2.747 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(C)c1 20636892 XOOXWDQEPNQMHK-PMACEKPBSA-N 391.471 2.760 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCOc1ccccc1F 9049497 WYLKAGKTRZHZCQ-UHFFFAOYSA-N 384.407 2.787 0 40 GFAB COc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1Br 7736540 VKNZDFNIKLIHLC-UHFFFAOYSA-N 375.269 2.504 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(-c2nc(-c3cccnc3)n[nH]2)cc1 71284316 LIKCKADIHDKXNY-HUUCEWRRSA-N 377.404 2.829 0 40 GFAB O=C(NCCCNC(=O)c1cnccn1)c1cccc(OCc2ccccc2)c1 7871501 CYPMOTYQEOEOJS-UHFFFAOYSA-N 390.443 2.606 0 40 GFAB O=C(NCCN1CCOCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 16206004 DEWVETXMYQBSMM-UHFFFAOYSA-N 395.381 2.955 0 40 GFAB O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1 7987074 SIVIDPXUHIAVHI-UHFFFAOYSA-N 375.475 2.934 0 40 GFAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 16753769 IFUDPOWOKSSCBU-UHFFFAOYSA-N 396.856 2.524 0 40 GFAB COc1cc(CNCCSc2nnnn2C)ccc1OCc1cccc(C)c1 9194461 DPJZSHLFSVMNIQ-UHFFFAOYSA-N 399.520 2.988 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)NC2CCCCC2)C1=O 8315490 LVNKVXRJHUVKSD-SPLOXXLWSA-N 387.480 2.690 0 40 GFAB CCOc1ccc(CN(C)C(=O)COC(=O)c2ccc(C(=O)OC)cc2)cc1 9480279 JXKLMQGTGASBGQ-UHFFFAOYSA-N 385.416 2.687 0 40 GFAB C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 72302128 UIIZJOGFADMHRH-QZTJIDSGSA-N 379.503 2.636 0 40 GFAB CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 72401941 LYNHDYPVCYZLCY-UHFFFAOYSA-N 390.399 2.699 0 40 GFAB O=C(O)COc1ccccc1CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 95970653 CIKITOONYOVXRT-UHFFFAOYSA-N 392.415 2.538 0 40 GFAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc2nnnn2c1 95965115 LBYFPEYTHBTCSG-UHFFFAOYSA-N 393.794 2.677 0 40 GFAB COc1cc(-c2noc(CN3CCC(C(=O)N4CCCC4)CC3)n2)ccc1C 89647083 YUXVXQSRMIJJKS-UHFFFAOYSA-N 384.480 2.888 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccsc1C(=O)OC 22021480 GOWAWGTZQGSXPM-LLVKDONJSA-N 396.490 2.864 0 40 GFAB CCCC(=O)Nc1nnc(SCc2cc(=O)n3cc(C)sc3n2)s1 20984377 ZIPCRPCBNNBGKN-UHFFFAOYSA-N 381.508 2.947 0 40 GFAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CN3CCCC3)C2)c1 72358998 WJFQJDAEWXUESZ-SFHVURJKSA-N 380.492 2.954 0 40 GFAB O=C(Cn1nc(Cl)ccc1=O)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79477629 PLYZGURPSNBUHB-UHFFFAOYSA-N 397.778 2.672 0 40 GFAB CNc1nc([C@H]2CCCCN2C(=O)C2CCCC2)nc2c1CN(C(C)=O)CC2 72372199 OVTHIRXZCQVNPX-GOSISDBHSA-N 385.512 2.667 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)C(=O)c3cccnc3)CC1)O2 72391780 IFDSRXSVMMNHDC-UHFFFAOYSA-N 379.460 2.966 0 40 GFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccnc1-c1ccncc1 225750016 PYXJYTUSAYSIGL-AWEZNQCLSA-N 377.400 2.956 0 40 GFAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](N2C(=O)COC2=O)C1 225702240 BDMOOWSBFXDNNM-GOSISDBHSA-N 378.428 2.788 0 40 GFAB Cn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O 77099380 XVSHDFVJJRZPRV-UHFFFAOYSA-N 377.322 2.762 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 223548463 ODVKVIBQPAEQGZ-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(SCC(=O)OC)s1 225672239 UJCPVVIKVXYWOA-SNVBAGLBSA-N 397.478 2.608 0 40 GFAB C[C@@H](C(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1)c1ccccc1 225762641 DODBTAXVBFFTTG-CQSZACIVSA-N 395.434 2.796 0 40 GFAB C[C@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3nccs3)C2)C1)c1ccccc1 96225715 WMYCXZSQQJFMNJ-QRWLVFNGSA-N 384.505 2.784 0 40 GFAB Cc1ccsc1C(=O)N1C[C@@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 96241034 RRHAMYHODGLLAM-INIZCTEOSA-N 385.489 2.959 0 40 GFAB CCCCCN1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 97742283 ROSKXSAWGGZLCC-DLBZAZTESA-N 384.929 2.653 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@H]4[C@@H]3C2=O)c(C)c1 253487855 RYVFXXUJONFDDV-TUFLPTIASA-N 399.450 2.900 0 40 GFAB CCn1ncc(NC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](OC)C2)c1C(F)(F)F 626552686 GODOXHXDQMYUFE-BZPMIXESSA-N 389.422 2.685 0 40 GFAB CC(C)c1ccnc(N2CCN(C(=O)c3ccnc(N4CC[C@H](C)C4)c3)CC2)n1 681005071 BFTHTBDHCMJOME-KRWDZBQOSA-N 394.523 2.804 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575403895 IKZMGZJGXJCSSL-FQEVSTJZSA-N 380.444 2.702 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 575402476 BGILEQNBDDGOIL-KRWDZBQOSA-N 382.526 2.599 0 40 GFAB Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 56077452 ZHGDFHZUXDSKRQ-OAHLLOKOSA-N 375.494 2.941 0 40 GFAB COc1ccc(CN2CCc3c(nc4cc(C5CC5)nn4c3O)C2)cc1OC 72339340 YGBFIKUXYWINCR-UHFFFAOYSA-N 380.448 2.888 0 40 GFAB O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)Cc2ccccc2Cl)C1 96378583 GWIHFDFXNWNIGM-UHFFFAOYSA-N 391.942 2.602 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 187547298 AHRKMPABQPYKBH-UHFFFAOYSA-N 389.443 2.738 0 40 GFAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1c(-c3cccs3)ccc(=O)n1C2 5437621 VGQXUGMXZBVDJL-UONOGXRCSA-N 378.457 2.626 0 40 GFAB biogenic,in-vitro CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 5954114 ZQMYMMLWEHGEMP-TUAOUCFPSA-N 376.478 2.967 0 40 GFAB COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cc(C)on3)nc12 12229562 RMSFLUYNQDPBBH-UHFFFAOYSA-N 390.465 2.818 0 40 GFAB COc1ccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1OC 12327788 PVARSQROVYTHOI-GOSISDBHSA-N 375.440 2.860 0 40 GFAB COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c1 12330102 DIXBVXAXHALXCO-WOJBJXKFSA-N 385.460 2.785 0 40 GFAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 12986144 KXSPQIPMEINBGR-UHFFFAOYSA-N 380.187 2.959 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1C 13580946 DJPGMCCZSXIEAV-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OCC)cc1 13633165 MKWJQMIXRCIPQT-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 19020886 KVNAQYYOTPNCNK-YJBOKZPZSA-N 375.469 2.941 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC 8163809 RTDWBHCNUMDYQS-CSKARUKUSA-N 396.443 2.828 0 40 GFAB CC(=O)Nc1nc(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cs1 12086957 FEZGTQKWAYOHPU-CQSZACIVSA-N 387.461 2.904 0 40 GFAB COc1ccc(CN2CCC(c3noc(-c4cnccn4)n3)CC2)cc1OC 12187316 HCJVOBQJBIRCNR-UHFFFAOYSA-N 381.436 2.923 0 40 GFAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 12365273 SDVSGOKOWDZRMN-ZDUSSCGKSA-N 379.869 2.553 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C[C@H](C)O1 5360184 QILZLNZRUWPYQN-STQMWFEESA-N 392.550 2.993 0 40 GFAB Cc1ccc(OCCN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 29152046 WLAXKKSSMYMRRA-UHFFFAOYSA-N 383.492 2.781 0 40 GFAB C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CO2)n1nnc(-c2ccc(Cl)cc2)n1 31652512 OCOCWZAYDQTMNJ-JTQLQIEISA-N 383.795 2.768 0 40 GFAB COc1cc(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)ccc1OC(C)C 2037983889 JYSARTZTZSRCHJ-QFIPXVFZSA-N 390.524 2.942 0 40 GFAB COc1cccc(NC(=O)NC[C@H](c2ccsc2)N2CCOCC2)c1OC 22679317 LOJYNPZTMRAYNW-MRXNPFEDSA-N 391.493 2.960 0 40 GFAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cccc(C)c4)nc23)cc1 49008262 GDTNPGFLOQUOQP-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1cccs1 244986153 JIBAJXPLZNKTOG-OAHLLOKOSA-N 384.504 2.629 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19078995 ISWFOHMFCFPULT-CRAIPNDOSA-N 396.491 2.652 0 40 GFAB O=C(c1cccnc1S)N1CCN(CCOc2ccc(Cl)cc2)CC1 10428774 LSTFYJRKVDZFRO-UHFFFAOYSA-N 377.897 2.861 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COCC(F)(F)F)cc2)C1 40130140 XYQWPOWHOVNBTK-LBPRGKRZSA-N 394.415 2.625 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O 32123912 DCEXGJLXAGFTIK-UXHICEINSA-N 394.471 2.568 0 40 GFAB biogenic CNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCCCCC2)n1 20718391 CEHZQAFPTJXKAQ-UHFFFAOYSA-N 393.451 2.632 0 40 GFAB CCN(CC)CCCNS(=O)(=O)c1cc(Br)c(C)cc1OC 18005006 GRGYQUTZKVNLTD-UHFFFAOYSA-N 393.347 2.776 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)C2CCCCC2)cc1 780661 SFTORBZLLCWFMY-GOSISDBHSA-N 394.537 2.614 0 40 GFAB CCOc1ccc(Br)cc1[C@H]1C(C(=O)OC)=C(C)Nc2ncnn21 959050 HNEKKYQELJIPSF-AWEZNQCLSA-N 393.241 2.901 0 40 GFAB CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)NC(=O)N[C@@]1(O)C(F)(F)F 2701416 YXVBNKFETFKJDP-ZQIUZPCESA-N 382.338 2.624 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(OC(F)F)cc1 3282178 DJGFQGZPAKOFAR-UHFFFAOYSA-N 377.376 2.995 0 40 GFAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)N[C@@H](C)CCc2ccco2)cc1 4355411 DRVPLLZXUGYCFZ-KUNJGFBQSA-N 390.505 2.667 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 7323284 ZUHXGFYBQPFPNL-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 7940183 CZOVMSMBKYSOMF-INIZCTEOSA-N 386.448 2.552 0 40 GFAB COc1ccc(-c2csc(C3=C(O)CN(C[C@@H](C)O)C3=N)n2)cc1OC 102718646 RHXVCKIPYYWAQO-SNVBAGLBSA-N 375.450 2.770 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC)ccc1N1CCCC1 10009927 IMPRORIARXYRFA-HNNXBMFYSA-N 381.542 2.894 0 40 GFAB O=C(NC1CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10146564 PURUKGASOOSQTA-QGZVFWFLSA-N 378.881 2.508 0 40 GFAB O[C@@H](COc1ccc2ccccc2c1)CSc1nnnn1C[C@H]1CCCO1 52816341 ZGUURVUPQCGURP-FUHWJXTLSA-N 386.477 2.537 0 40 GFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc23)s1 8474665 SUBNKUNWNIKLTN-UHFFFAOYSA-N 398.444 2.900 0 40 GFAB O=c1[nH]c2ccccc2n1CCCSc1nnnn1CCc1cccs1 10880662 XINHDOJEPRPPDT-UHFFFAOYSA-N 386.506 2.803 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2cccs2)CC1 23731871 ICEZGFIZRHILKT-UHFFFAOYSA-N 383.517 2.762 0 40 GFAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(OC)cc2)C3)cc1 12346390 FCULJMGWMFZTIH-FQEVSTJZSA-N 393.443 2.744 0 40 GFAB Cc1ccc(CN(C)C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)o1 21737913 JCLBTCIOWHQEGZ-LBPRGKRZSA-N 382.511 2.781 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)s1 24747270 PBFGJOITVLJLFK-UHFFFAOYSA-N 384.498 2.777 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 104346191 YXWDVVGBDRWNGP-OAHLLOKOSA-N 398.381 2.612 0 40 GFAB Cn1cnc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1Cl 26536553 OHRMFLLFEFGTAS-UHFFFAOYSA-N 389.264 2.655 0 40 GFAB O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1ccc(OC(F)(F)F)cc1 26539622 CLNFTWJUZWTHIM-UHFFFAOYSA-N 384.339 2.967 0 40 GFAB COc1cc2c(cc1NS(=O)(=O)c1cc(C)cc(C)c1C)n(C)c(=O)n2C 28049105 ZYSVDLNZNHKFHG-UHFFFAOYSA-N 389.477 2.612 0 40 GFAB CC1CCN(C(=O)COC(=O)c2ccc(I)cc2)CC1 3253534 ZVLPZNQUNFKCEM-UHFFFAOYSA-N 387.217 2.707 0 40 GFAB Cc1nc(CC(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cs1 100145780 AYGBRGPATSGDCE-QZTJIDSGSA-N 396.516 2.928 0 40 GFAB COC(=O)c1c(C)cccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 10185878 XFDRGZJZLYAXJW-AWEZNQCLSA-N 381.432 2.957 0 40 GFAB Cc1c(CC(=O)NCC2CCC(C(=O)O)CC2)c(=O)oc2c(C)c(O)ccc12 2153966 PZFDIYSDWSIGAU-UHFFFAOYSA-N 387.432 2.665 0 40 GFAB biogenic COc1ccc(N2CN(Cc3ccccn3)Cn3c2nc(C)c(C)c3=O)cc1 36125672 OSPLETZDLOOYQS-UHFFFAOYSA-N 377.448 2.833 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](NCCCN1CCOCC1)c1ccccc1 3336625 WSADDCPRMZXYML-JOCHJYFZSA-N 397.519 2.995 0 40 GFAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC 2487060 AZOBMXNQKHNDMY-MEDUHNTESA-N 390.461 2.916 0 40 GFAB C[C@H](NCCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Cl 12794523 OHONVWJWFLIXJZ-ZDUSSCGKSA-N 392.887 2.667 0 40 GFAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 11622356 AZQLQQLPDYJKIM-QLFBSQMISA-N 389.525 2.715 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2C2CCCCC2)cc1 48343256 AEQBQXFFQCZJLG-FQEVSTJZSA-N 387.524 2.948 0 40 GFAB Oc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 112000048 WKPLIBPYHUTSQM-MRXNPFEDSA-N 393.794 2.889 0 40 GFAB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 3411690 OGWDIXTZIIQRSU-UHFFFAOYSA-N 392.411 2.760 0 40 GFAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cc(F)cc(F)c1 12923314 TYILSZUXDZQBIE-UHFFFAOYSA-N 389.402 2.960 0 40 GFAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)C3CCCCC3)ccc21 13693285 ZZHIHVBEXUPXMO-SFHVURJKSA-N 384.480 2.887 0 40 GFAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C(N)=O)cc1 17957666 XUJYYVXSUBDEQO-UHFFFAOYSA-N 377.238 2.829 0 40 GFAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nn2cnnc2s1 6085015 LWICKDJDCRKKPA-OAHLLOKOSA-N 392.444 2.686 0 40 GFAB CC(=O)Nc1nc(COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cs1 39606703 KQJNWCUZMBGFOP-MRVPVSSYSA-N 377.447 2.891 0 40 GFAB Cc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 65197784 NGRUSDANWHGFNQ-UHFFFAOYSA-N 382.395 2.690 0 40 GFAB CCCN1C(=O)[C@](O)([C@@H]2COC(C)(C)CC2=O)c2cc(Br)ccc21 5274379 MSPZCHQDXXVZOI-FZKQIMNGSA-N 396.281 2.778 0 40 GFAB CC[C@H]1CCCCN1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261650 HCEVYNYCFZPWNE-HNNXBMFYSA-N 397.566 2.749 0 40 GFAB COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)cc1Cl 8877347 QRDLMPCKXWBRCT-UHFFFAOYSA-N 397.884 2.998 0 40 GFAB CNC(=O)COc1ccc(N(C)S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 14237053 HYVTVLJXMYJAAG-UHFFFAOYSA-N 390.505 2.870 0 40 GFAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 5466624 UUXJQFQQPJTRJU-UHFFFAOYSA-N 392.452 2.549 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 15422266 VIJKGCSVOZPQBJ-UHFFFAOYSA-N 377.853 2.716 0 40 GFAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)N[C@@H]1CCCc2ccccc21 7123375 GCDNXEUQDCYTIE-SCLBCKFNSA-N 391.427 2.662 0 40 GFAB O=C(NCc1nnc2ccccn12)c1cccc(NC(=O)c2cccs2)c1 7272918 DIPIRHRZSFTJMS-UHFFFAOYSA-N 377.429 2.973 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 7408339 FRZSUXQYTCILHS-UHFFFAOYSA-N 381.432 2.533 0 40 GFAB COc1ccc2cc(CN(C)C(=O)CSc3nc(N)cc(N)n3)ccc2c1 7692739 ASVLVOSCZBFRQQ-UHFFFAOYSA-N 383.477 2.554 0 40 GFAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1c(C)noc1C 7984759 DSTOSTWMTIZNMX-UHFFFAOYSA-N 376.438 2.621 0 40 GFAB COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2N2CCCC2=O)c1 8003459 SKBDLOFCDCVBGP-UHFFFAOYSA-N 383.400 2.870 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 9645987 KRINJZTUCWDOEN-AWEZNQCLSA-N 389.463 2.737 0 40 GFAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N[C@@H]1CCCCNC1=O 95365114 DHDKCMAFOHAMAW-QZTJIDSGSA-N 375.469 2.563 0 40 GFAB Cc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)c2c(n1)c(C)nn2C 28557427 WOCVJZXDGGFNPY-UHFFFAOYSA-N 384.871 2.596 0 40 GFAB C[C@H](NC(=O)c1ccc(Br)c(O)c1)C1(N2CCOCC2)CCCC1 95978867 QOSPKACOBFBCHC-ZDUSSCGKSA-N 397.313 2.918 0 40 GFAB O=C(Cn1ccc2ccccc21)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903548 OZOYSVKJAZHKTK-UHFFFAOYSA-N 398.470 2.842 0 40 GFAB CCOc1ccc(C(=O)C[C@@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)cc1 20459171 HQEKVNPSYJAHPG-NRFANRHFSA-N 396.487 2.929 0 40 GFAB COc1cc(C(=O)N2CCCCC2)cc(I)c1OC 409379513 WXUQVXTZSXPBTN-UHFFFAOYSA-N 375.206 2.935 0 40 GFAB O=C1NC(=O)C2(CCN(C(=O)c3ccccc3F)CC2)[C@@H]1c1ccc(F)cc1 72341594 MLZZWUGBMTWZEL-QGZVFWFLSA-N 384.382 2.627 0 40 GFAB Cc1sc(-n2cnnn2)c(C(=O)NCCc2nc(C(C)C)cs2)c1C 524735723 UOVADUXTDIJOJI-UHFFFAOYSA-N 376.511 2.893 0 40 GFAB COc1cc(Cl)cc2c1OCC(=O)N(c1ccc(S(C)(=O)=O)cc1)C2 77100664 BYZCDMFELACQPJ-UHFFFAOYSA-N 381.837 2.678 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 72404142 YROJJYOULMLMBI-UHFFFAOYSA-N 377.444 2.510 0 40 GFAB NS(=O)(=O)c1ccc(-c2ccc([C@@H]3SCC(O)=Nc4[nH]ncc43)o2)cc1 79487852 JHUZGYFFICCBIP-OAHLLOKOSA-N 390.446 2.741 0 40 GFAB CC(C)CCNC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325419 CHFHEJZEGSQDFM-CYBMUJFWSA-N 381.523 2.747 0 40 GFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2nc[nH]n2)c1 79308399 FMTBPVSAOVISSW-LJQANCHMSA-N 388.431 2.639 0 40 GFAB O=C(CN1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1)N1CCCCC1 72383550 NQLYKFNYABEQLE-KRWDZBQOSA-N 381.480 2.856 0 40 GFAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223201281 AIAJNSANUVWTIU-HXUWFJFHSA-N 386.467 2.530 0 40 GFAB S=C(Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1)NC1CC1 226004817 BTYMDSCXVRCCSP-UHFFFAOYSA-N 388.928 2.905 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccc4ccccc34)n2)n1 77196898 MIFRYSGOPVRJET-UHFFFAOYSA-N 387.443 2.629 0 40 GFAB Cc1nc2nc3ccn(-c4ccn[nH]4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398379 IYVSSNPLIWCKPC-UHFFFAOYSA-N 377.795 2.780 0 40 GFAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223267006 YFFQGDQJAJZNJM-OAQYLSRUSA-N 398.503 2.544 0 40 GFAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 223122206 NQNJYFRMBKIAFV-LIRRHRJNSA-N 388.489 2.653 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1 225966269 XKCVBLKICMWXAR-AWEZNQCLSA-N 376.478 2.972 0 40 GFAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)NCc1cccc(F)c1)CC2 96254694 GAHASGZSOCDEIX-UHFFFAOYSA-N 383.471 2.835 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCc1nc(-c2cccc(C)c2)no1 95470736 VGCPFBVTZHSVTB-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB COCCn1c(C(=O)NCCc2nnc3ccccn23)cc2cc(Cl)ccc21 95473930 WOCSZWQUMIPWQR-UHFFFAOYSA-N 397.866 2.956 0 40 GFAB CC(C)CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 230086513 SPOIYAFLRRYNQY-MOPGFXCFSA-N 378.538 2.670 0 40 GFAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C(=O)c2ccccn2)CC1 257286903 PNOXAUDPHNYGPR-UHFFFAOYSA-N 395.488 2.808 0 40 GFAB COc1ccc(C(=O)N2CC[C@H](c3noc(-c4cccs4)n3)C2)c(OC)n1 253473365 UKTKDLXRLYPBCY-NSHDSACASA-N 386.433 2.840 0 40 GFAB C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1nc(C(F)(F)F)n[nH]1 1652797998 AAJFYWXSQHVAFI-SNVBAGLBSA-N 378.358 2.639 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 96340571 FQMJSELGVFIDKB-UHFFFAOYSA-N 375.372 2.965 0 40 GFAB O=C(NCC(F)(F)c1cccc(F)c1)N[C@@H]1CCCN(c2ncccn2)C1 660425882 CMAYEDGIFQLQIZ-OAHLLOKOSA-N 379.386 2.676 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC(OC)CC1 69453213 XKDUTVAZDCYMCS-MRXNPFEDSA-N 380.872 2.591 0 40 GFAB O=S(=O)(C1CC1)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 77101077 ATYLNOTXLWCBIC-UHFFFAOYSA-N 391.440 2.929 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)C1CC1 84325620 ILPLZQKGHWRKIS-SFHVURJKSA-N 397.523 2.700 0 40 GFAB Cc1c(CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)cnn1C 12086116 DIVNVFLAWFPGGY-UHFFFAOYSA-N 384.915 2.862 0 40 GFAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)C)cc1 12661055 HFTTWJOZPDZNPT-GHDARCQNSA-N 390.476 2.976 0 40 GFAB CC(C)(C)c1nc2ccccc2c2nn(CC(=O)N3CCCCCC3)c(=O)n12 19084698 XBKORMYXBBVUSL-UHFFFAOYSA-N 381.480 2.744 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccnc3cc(C)nn23)cc1OC 19130738 JKDARWRNWDRCPQ-MRXNPFEDSA-N 380.448 2.961 0 40 GFAB Cn1nccc1[C@@H](NC(=O)COc1ccc2nsnc2c1)c1ccccc1 19289212 UKXMWOIQYKWIJI-IBGZPJMESA-N 379.445 2.709 0 40 GFAB C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 19457402 SUGYLXFAQMMRFE-CQSZACIVSA-N 390.871 2.813 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19705612 OLXCGNPTLZJOHD-KRWDZBQOSA-N 382.464 2.846 0 40 GFAB CN(C)Cc1cc(C2CCN(C(=O)c3n[nH]c4c3CCCCCC4)CC2)nn1C 19710224 ZSXDRVNWWAUTGE-UHFFFAOYSA-N 398.555 2.884 0 40 GFAB CN1[C@@H]2CCNc3ccccc3CN(C(=O)CCc3cnn(C)c3)C[C@H]1CC2 643568614 YBWRRHDZMAQLCO-VQTJNVASSA-N 381.524 2.660 0 40 GFAB Cc1nc2sccn2c1CN1CCC[C@H](c2ncccc2S(C)(=O)=O)C1 19555073 CEVHGWWFBXTBHK-AWEZNQCLSA-N 390.534 2.882 0 40 GFAB CC(C)COc1ccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cn1 390828241 AMZZXWYAAIAIKY-ZDUSSCGKSA-N 397.401 2.763 0 40 GFAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NCc1cccs1 14918679 NDFRCAMOUYYQNX-LBPRGKRZSA-N 389.506 2.920 0 40 GFAB COc1ccc(CNC(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1 244998677 KPFZCIFMIHUTTH-GOSISDBHSA-N 375.494 2.878 0 40 GFAB CN(CC1CCN(c2ccn3nccc3n2)CC1)c1ncnc(C2CC2)c1F 2087044683 SGWIGNGICQEWRH-UHFFFAOYSA-N 381.459 2.889 0 40 GFAB CCCCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 4250997 HTIRBESNSXZZEJ-UHFFFAOYSA-N 399.882 2.960 0 40 GFAB CCOc1ccc(CC(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954843 TWHOAOXFBDLLFL-UHFFFAOYSA-N 383.473 2.729 0 40 GFAB COCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(C)c1C 9661247 CXAXBDRLBOSLAS-UHFFFAOYSA-N 391.435 2.511 0 40 GFAB COc1ccc(N2CCn3c(SCC(=O)NC4CCCCC4)nnc32)cc1 16953969 VALYAOMZAMPCLV-UHFFFAOYSA-N 387.509 2.979 0 40 GFAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Cl)cc1 23108099 IRWCUBNRVJRKAH-GOSISDBHSA-N 398.887 2.831 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1n[nH]c2ccccc12 225794292 PQMAYYRAFPYOJP-UHFFFAOYSA-N 376.464 2.631 0 40 GFAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cc(-c2ccccc2)n[nH]1 42379524 WTMACGGWZXOAPP-UHFFFAOYSA-N 385.427 2.730 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C 19556161 DZQMUBHFEAZSIZ-YJYMSZOUSA-N 382.512 2.559 0 40 GFAB Cc1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(Cl)cc1Cl 96099720 KOSRKPZYXMXSNZ-ZDUSSCGKSA-N 393.336 2.522 0 40 GFAB Cc1ccc(C)c2c1s/c(=N\C(=O)CN1C(=O)c3ccccc3C1=O)n2C 100892332 QVAVZOFTZYUPJT-MRCUWXFGSA-N 379.441 2.580 0 40 GFAB CC1(C)Cc2c(sc3nc(CN(CCO)Cc4ccccc4)[nH]c(=O)c23)CO1 40283582 MPKWPASLBXKNJY-UHFFFAOYSA-N 399.516 2.830 0 40 GFAB C[C@H](C(=O)Nc1ccc(NC(=O)COc2ccc(F)cc2)cc1)n1cncn1 31139449 FLPYFOBMUAEBQS-CYBMUJFWSA-N 383.383 2.634 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1OC 31776773 KAXHXGYFAOCBPW-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB COc1cc2cc(C(=O)Nc3cccc(-c4nnn(C)n4)c3)[nH]c2cc1OC 101367143 SGYPUSNLPIMUDM-UHFFFAOYSA-N 378.392 2.628 0 40 GFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1ccccc1 2652609 KKELZPBKMWBCDA-UHFFFAOYSA-N 388.851 2.710 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nnnn2C2CC2)C1=O 8075647 YKOPADOTDMYLAS-AWEZNQCLSA-N 391.884 2.975 0 40 GFAB C[C@H]1Cc2cc(C(=O)N(C)Cc3ccccc3F)ccc2N1S(C)(=O)=O 32739284 RTUIJWORHDMBKG-ZDUSSCGKSA-N 376.453 2.809 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1Cl 3463951 QNMZZASMSRKKHW-UHFFFAOYSA-N 377.780 2.915 0 40 GFAB COCCN(Cc1cc2cccc(C)c2n2nnnc12)C(=O)c1cccs1 4898762 IEURISNAXIYRFQ-UHFFFAOYSA-N 381.461 2.936 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1c(C)cccc1C 6203948 WXPYYXOZCJLFHL-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 32900262 JDLMGVVSDZFBHA-MRXNPFEDSA-N 381.457 2.693 0 40 GFAB COc1cc(/C=C/C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1 32902854 MGRPKLNOCNAVNK-HABDOHHLSA-N 376.497 2.721 0 40 GFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 8941617 AYSZCDSNTXBHKG-PEBVRCNWSA-N 389.418 2.677 0 40 GFAB Cc1cccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c1 9828789 JGNMRFFNKSKEGA-UHFFFAOYSA-N 391.475 2.872 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22786812 WJFYWKBCMAEBKR-LUIPUJLWSA-N 396.535 2.776 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@H](C(C)(C)O)C2 100393865 HXFDWGKUUFPMRG-HIZTWUKYSA-N 397.515 2.686 0 40 GFAB biogenic,in-vitro CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)OCc3ccccc3)CCN2)C1 91302723 ONPXNIKYGMESAQ-FQEVSTJZSA-N 375.469 2.608 0 40 GFAB in-vitro C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(C(=O)N2CCOCC2)cc1 55862298 PWQOAGIRDIVDKK-MRXNPFEDSA-N 379.460 2.549 0 40 GFAB N=C1c2ccccc2CN1c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 25329899 CGRATPHQRDXRKD-UHFFFAOYSA-N 391.880 2.706 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cccc(C(C)=O)c1 3391627 WRUOFWJXJNZWRU-UHFFFAOYSA-N 383.448 2.797 0 40 GFAB CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)C1 58246328 DIQZLGBDCLERKG-OAQYLSRUSA-N 377.488 2.990 0 40 GFAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC[C@@H](C)C1 2320448 SWCQBSKZNNUVKJ-GFCCVEGCSA-N 389.452 2.642 0 40 GFAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11115797 QESNGDGLAZPDOR-UHFFFAOYSA-N 383.492 2.911 0 40 GFAB O=C(NCc1nnc2n1CCC2)Nc1cccc(NC(=O)c2ccccc2)c1 48483298 UWPFKUZDZRQVJZ-UHFFFAOYSA-N 376.420 2.798 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 13095670 ACANATHHPLIJFD-UHFFFAOYSA-N 385.411 2.920 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 13014028 APMDRLJEIVBDRC-CYBMUJFWSA-N 383.835 2.786 0 40 GFAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1 8324294 SZFMAROWPOBBCG-UHFFFAOYSA-N 381.480 2.522 0 40 GFAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1OC 6155367 HEZZHYDUJJWOQM-ZDUSSCGKSA-N 399.241 2.657 0 40 GFAB COc1ccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc1 65196611 MHFOXVNYYLQPJN-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@@H]21 4393478 YBRYGQYXAMAWIA-HOTGVXAUSA-N 392.864 2.961 0 40 GFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(N2CCCCCC2)cc1 14083829 GTCFDYRBDRLETL-RTBURBONSA-N 381.476 2.957 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(s1)CCC2 14118749 YNEBOSWYHUTGKD-UHFFFAOYSA-N 392.502 2.510 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 20043688 DRMOZTGBCABAII-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O 4787499 SXFHHSLVJZYQRR-OAQYLSRUSA-N 391.383 2.547 0 40 GFAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCC(N)=O 408553702 AWQHBEXJFFGJSL-SFHVURJKSA-N 392.864 2.991 0 40 GFAB O=C1NC2(CCCCC2)C(=O)N1Cc1cc2c(cc1Br)OCO2 7047841 ZBCFALNXKASPEW-UHFFFAOYSA-N 381.226 2.933 0 40 GFAB O=C1CNC(=O)N1CCCC(=O)N1CCc2sccc2[C@H]1c1cccs1 7947877 NLGPUSMQQIDLAJ-KRWDZBQOSA-N 389.502 2.616 0 40 GFAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1cccc(F)c1 7956799 RRXUVIPXGQBZLL-UHFFFAOYSA-N 377.441 2.661 0 40 GFAB O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(O)n1C1CCCCC1 9087060 DPZPKCMDRQNWCL-SFHVURJKSA-N 380.448 2.876 0 40 GFAB biogenic O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9060028 FIFTUAQMTWPTPT-MRXNPFEDSA-N 385.445 2.860 0 40 GFAB C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O 79015334 RMLSHKNOEYXLQG-KRWDZBQOSA-N 393.230 2.794 0 40 GFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(OC)c1 79191137 GRRRBCDZKYFAKC-VQIMIIECSA-N 382.368 2.963 0 40 GFAB biogenic O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCc1nc(-c2ccccc2)cs1 79464535 MCZGKAFCHFYOHF-UHFFFAOYSA-N 397.500 2.788 0 40 GFAB Cc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c1 67300220 HQVXJBDRVNYZLJ-UHFFFAOYSA-N 377.444 2.701 0 40 GFAB O=C(O)COc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 95970652 FSGOBRBEJXVFAS-UHFFFAOYSA-N 385.376 2.563 0 40 GFAB C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(NC(N)=O)cc1 89920287 WRUOVZFVGLVHJN-OLZOCXBDSA-N 376.457 2.553 0 40 GFAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 409196683 XXVKWLINPFJKLQ-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2cccnc2)n1 35424909 QLMJTSSIDGSKIB-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro CC(=O)N1CCCc2cc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)ccc21 501860854 QZFDCYUFVTVDAJ-UHFFFAOYSA-N 396.472 2.972 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4nccs4)C3)ncn2)n1 70656061 QONIUHUCMMZZLR-CQSZACIVSA-N 383.481 2.591 0 40 GFAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(OC)c2OC)N1 36025437 NTNSELIRIYLDRI-FUHWJXTLSA-N 396.443 2.970 0 40 GFAB biogenic COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 36701565 FKIIGMYGMSPYQL-BKTGTZMESA-N 393.447 2.954 0 40 GFAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2Cl)C3)C[C@H](C)O1 72347253 AHUSHPGMICLJSZ-KBPBESRZSA-N 388.899 2.595 0 40 GFAB Cc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 219219069 OZQOAKPFYYSDNI-INIZCTEOSA-N 388.489 2.868 0 40 GFAB COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1OC 219709299 ZBFRFBFCLKIAAY-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F 561000695 UEZFBGDNQHATJI-UHFFFAOYSA-N 379.388 2.949 0 40 GFAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 224812834 DHYDVWNEYHRSGU-AWEZNQCLSA-N 398.510 2.571 0 40 GFAB COc1ccc(CCNC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)cc1 40119236 FIMGISCKBMTRKQ-UHFFFAOYSA-N 385.493 2.509 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1)c1ccccc1 225101719 SUROTLXFWMYZCW-UHFFFAOYSA-N 378.479 2.569 0 40 GFAB CN(c1cccc(NC(=S)NCCCN2CCCCCC2)c1)S(C)(=O)=O 225399840 JYMHMTLWFLAGTG-UHFFFAOYSA-N 398.598 2.635 0 40 GFAB CCc1ccc(N([C@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 220287452 XKXGSKTZMFEYDG-CQSZACIVSA-N 378.469 2.859 0 40 GFAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3NS(C)(=O)=O)ccc21 225090661 IXCWHLAJDYQGOE-UHFFFAOYSA-N 391.474 2.707 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222438884 QXJKYZQOPCPWBN-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCC(=O)N(C)C)n2C(=O)N(C)C 96146415 QNTKZOMKPNCGBI-UHFFFAOYSA-N 397.479 2.525 0 40 GFAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)Cc2ccccc2)C1 96244510 VTCZABHESVTYGZ-HSZRJFAPSA-N 392.503 2.850 0 40 GFAB CN(C(=O)Cn1nc(C(F)F)cc1C1CC1)[C@H]1CCCN(c2cccnn2)C1 635580933 OELYUMHMEAPUAM-AWEZNQCLSA-N 390.438 2.616 0 40 GFAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c1 666003691 LJRSZNFZNQSRCL-SFHVURJKSA-N 375.476 2.922 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 575424812 NVEJTLBCUAZUQE-QGZVFWFLSA-N 379.503 2.686 0 40 GFAB CC1CCC(N2CCc3nc(C4CCN(C(=O)C5CC5)CC4)[nH]c(=O)c3C2)CC1 72398856 HIXRNMQTKABWEV-UHFFFAOYSA-N 398.551 2.823 0 40 GFAB O=C(CCc1cccc(Cl)c1)N1CCCc2cnc(N3CCOCC3)nc21 670853438 ALRSREBZHXLYAL-UHFFFAOYSA-N 386.883 2.879 0 40 GFAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12 5208006 SJTXGLDDFQWCCG-UHFFFAOYSA-N 383.448 2.836 0 40 GFAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)nc12 12117707 MBWKEOZHQMXXCX-JKSUJKDBSA-N 381.480 2.652 0 40 GFAB Cn1ncc(Cl)c1C(=O)NCCc1cc2nc(-c3cccs3)ccn2n1 13265332 OLBSVWGUAXIAHQ-UHFFFAOYSA-N 386.868 2.817 0 40 GFAB COc1ccc([C@@H]2[C@@H](NC(=O)Cn3nc(C)ccc3=O)[C@@H]3CCCC[C@H]32)cc1 19131124 ROEPNTZFIYXENM-UBBRYJJRSA-N 381.476 2.649 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 19741375 FQRGRLGTXXGBHF-MRXNPFEDSA-N 394.541 2.597 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)[C@H](O)CCC(C)(C)[C@@H]12 248048299 AKSMCYXVBDZJRK-PFIKMOSVSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro Cc1noc(C)c1-c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)o1 1889023472 OFVKRVUFJKPNJZ-UHFFFAOYSA-N 397.387 2.578 0 40 GFAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)C[C@@H](C)C1 28199608 WBSPZVNSDVYDAL-KRXQYRFLSA-N 391.537 2.644 0 40 GFAB CC(=O)N1CCN(Cc2ccccc2Cl)C[C@@H](Cc2cn3ccnc3cn2)C1 2037838555 NLHQSLTWOPRPQD-QGZVFWFLSA-N 397.910 2.906 0 40 GFAB COc1cc(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cc(OC)c1 2037984353 YFRXRLKXQAKANL-OAQYLSRUSA-N 376.497 2.696 0 40 GFAB Cc1ccc(C)c(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)c1 16842663 URSQPQJNFNDLIQ-UHFFFAOYSA-N 390.418 2.806 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)cc(=O)o1 206965881 DMGUHPQGCNEUGJ-MRXNPFEDSA-N 379.416 2.642 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149091 VFLRFUKTJJGSIJ-OAHLLOKOSA-N 377.437 2.947 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)c4ccc(OC(C)C)cc4)nnc3c2)n1 225744323 NQQXGMPFASEJAF-UHFFFAOYSA-N 392.419 2.805 0 40 GFAB CCc1ccc2c(c1)s/c(=N/C(=O)c1cc(C)nn1CC)n2CC(=O)OC 101342222 JTTKWVSAEBACQW-FMQUCBEESA-N 386.477 2.704 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@@H](C)c1cccnc1 40043377 NPWHTHZENCREEE-VIFPVBQESA-N 378.358 2.575 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)CCCN1C(=O)CCC1=O 40106459 OAOXZZYQLQIFIS-UHFFFAOYSA-N 389.839 2.807 0 40 GFAB COc1cccc(Cn2[nH]cc/c2=N\C(=O)COc2cccc(F)c2)c1OC 101426135 DIEPAPBRJBPPTI-PTGBLXJZSA-N 385.395 2.527 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccc(-n2ccnc2)cc1 29755383 YKFMPGLAJIWRDE-WMZOPIPTSA-N 376.464 2.756 0 40 GFAB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c1 32741728 HHWQFWFMOXJPKK-UHFFFAOYSA-N 394.355 2.624 0 40 GFAB CCCN(CCO)C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 32802728 FXEUOLNPXVIWNG-HXUWFJFHSA-N 384.476 2.755 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 4570880 NYLYWWUBYZFJSV-KRWDZBQOSA-N 396.443 2.534 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1C 6479064 QJIUMGZLFORRQK-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1ccccc1Cl 6823661 VSPNBUXZOABUHJ-UHFFFAOYSA-N 383.882 2.505 0 40 GFAB COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(Br)o2)c1 8101976 OJGBCBUKWXEMDE-UHFFFAOYSA-N 382.166 2.624 0 40 GFAB O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321254 CSSVHXTWHIUJRY-WIYYLYMNSA-N 391.471 2.870 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O 33324575 KBCSPALVPHSRJP-UHFFFAOYSA-N 384.823 2.914 0 40 GFAB Cc1nc(-c2cccc(NC(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)c2)n[nH]1 103293540 CNIQRHAUGGADQR-LBPRGKRZSA-N 382.390 2.786 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2=NCCS2)cc1 23028060 NHTOHIIYCJYYIM-UHFFFAOYSA-N 375.475 2.628 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)CC1 102241936 ZVNPVBRKTXHWQE-INIZCTEOSA-N 378.856 2.555 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)N(C)C[C@H]3COc4ccccc4O3)c(C)n2n1 24659801 LJTVYMBSGUDISW-KRWDZBQOSA-N 394.475 2.886 0 40 GFAB CCc1nc(CCNS(=O)(=O)c2ccc3oc(=O)ccc3c2)sc1C 58245598 NPQKFYLLIJRGEF-UHFFFAOYSA-N 378.475 2.641 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)NCc1cccc(C(=O)N2CCCC2)c1 56062715 YGIARSABZYFEIJ-UHFFFAOYSA-N 379.526 2.522 0 40 GFAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c1 57492505 NUAPRSSYCQVAED-UHFFFAOYSA-N 397.500 2.890 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O 57478798 OLXNRZUUMBWPDO-UHFFFAOYSA-N 391.880 2.605 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(F)c(Cl)c1 10110272 NJHDZKUOMLIGES-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB Cc1cccc2c(=O)n(CCCC(=O)O[C@@H](C)C(=O)NC3CCCCC3)cnc12 26948289 YPKBJAAHLKPNLG-INIZCTEOSA-N 399.491 2.866 0 40 GFAB O=C(CN1CSCC1=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 58202420 MXBPCXDPNZJRFP-UHFFFAOYSA-N 377.853 2.785 0 40 GFAB CCCN1CCN(C(=O)CSc2nnc(COc3cccc(C)c3)o2)CC1 20760079 ZLFCLXZZSFLIGJ-UHFFFAOYSA-N 390.509 2.603 0 40 GFAB NS(=O)(=O)Cc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 10706563 GTMBERDFNAHANB-UHFFFAOYSA-N 394.496 2.923 0 40 GFAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48261409 RJAJXQUIHREHDT-CQSZACIVSA-N 397.406 2.680 0 40 GFAB CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12729946 IRIBDYZVDXFDQL-UHFFFAOYSA-N 375.446 2.823 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)nc(C)n1 2503157 JRTFUGLSBVSTFU-UHFFFAOYSA-N 383.433 2.542 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1OC 3472895 GJEAFPWGDQFRCN-UHFFFAOYSA-N 377.824 2.873 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 12997818 OPKMDEWEGVXTMV-SFHVURJKSA-N 398.459 2.806 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc2c3c(cccc13)CC2)C(=O)OC 12901954 YEWSMSVBJWDVEY-RNODOKPDSA-N 383.444 2.799 0 40 GFAB NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 409021325 BMBLIPZICUWADP-UHFFFAOYSA-N 385.851 2.930 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 8422681 YQVYBIKGBWEXCQ-MRXNPFEDSA-N 394.537 2.515 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3C[C@H](c4ccccc4)C[C@@H]32)C1=O 13591302 QLTDJNLCFQACAO-IEBWSBKVSA-N 389.455 2.642 0 40 GFAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 13688969 MHSAYOBZSIUGPZ-UHFFFAOYSA-N 399.878 2.947 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1cccc(F)c1)O2 64988603 BRQGLMBYMAPCFQ-QGZVFWFLSA-N 378.425 2.690 0 40 GFAB Cc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c(C)c1 8729350 GOOSEVNYNWYZBC-UHFFFAOYSA-N 381.519 2.747 0 40 GFAB O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)c1ccc(F)cc1 13964061 FMBUQOMBNBWGNT-UHFFFAOYSA-N 395.415 2.690 0 40 GFAB COc1cc2c(cc1OC)n(CC(=O)c1ccc(C)cc1)c(=O)n1nc(C)nc21 65535077 ZIUFQSLVXQKNCO-UHFFFAOYSA-N 392.415 2.561 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4ccco4)CC3)O2)cc1 306134608 NTMLDRYZCPOYEA-OAQYLSRUSA-N 397.519 2.570 0 40 GFAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 306138123 RPVYTRKQMULVPO-AZUAARDMSA-N 392.927 2.710 0 40 GFAB Cc1c(NC(=O)C[C@H]2OC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 6553250 MYKJKMRDNAVELI-QGZVFWFLSA-N 377.400 2.725 0 40 GFAB O=C(NCCc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6719949 YSNGVSDQGAOIMI-UHFFFAOYSA-N 390.480 2.585 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)N2CCc3ccccc32)C(C)C)cc1 6779064 OOIOMADXKUSFLN-NRFANRHFSA-N 394.471 2.882 0 40 GFAB CNC(=O)[C@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2O1 7253210 KLHKYUNDZWEICV-OAHLLOKOSA-N 394.258 2.946 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7805906 AZIRSVMYSMZRKX-UHFFFAOYSA-N 396.871 2.555 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 71285578 XXBJIQYOJZPTHS-LSDHHAIUSA-N 377.404 2.829 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)[C@H](Cc1ccccc1)S(C)(=O)=O 72295592 RPDURRHRVRVQQO-KRWDZBQOSA-N 388.514 2.911 0 40 GFAB NC(=O)Nc1cccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c1 9390170 ZGBDXFNIOMNODM-UHFFFAOYSA-N 392.209 2.963 0 40 GFAB CN1CCN(c2ccc(C(=O)OC(C)(C)C)c(NC3CCOCC3)c2)CC1 114163738 ZOSCZHCLHAHQEM-UHFFFAOYSA-N 375.513 2.985 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccccc4F)C[C@H]2S3(=O)=O)cn1 306140344 UQPCRQREYGJSNH-WIYYLYMNSA-N 397.475 2.982 0 40 GFAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cccc(Cn2cccnc2=O)c1 79100374 IGPMGUFFHXMCNW-MSOLQXFVSA-N 398.463 2.535 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 89404464 WZULSODSLVVIBP-SFHVURJKSA-N 388.851 2.966 0 40 GFAB Cc1ccc(C(=O)N2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 306143630 YHERHNCZOWJRGY-GOSISDBHSA-N 391.475 2.504 0 40 GFAB CCc1ccc([C@H](CO)NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 537785764 BWRCRDHXCKBLLK-LIRRHRJNSA-N 393.480 2.790 0 40 GFAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C(=O)O)c3)ccc21 539117729 ZZFPLIDKIPRHHB-UHFFFAOYSA-N 388.445 2.875 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NC[C@@](C)(O)CCc3ccccc3)CC2=O)c1 61975818 MIECLOZNKCAHQR-JPYJTQIMSA-N 396.487 2.548 0 40 GFAB COC(=O)c1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 65033047 BFOAGTLWQUYMOE-UHFFFAOYSA-N 394.383 2.810 0 40 GFAB C[C@H](CN1CCc2c(O)nc(N3C[C@@H](C)O[C@H](C)C3)nc2C1)c1ccccc1 72335497 FABMBFBEXQWRLX-BRWVUGGUSA-N 382.508 2.958 0 40 GFAB NCC1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218472690 CFXYNICRUQHKIL-JKSUJKDBSA-N 385.316 2.837 0 40 GFAB Cc1nc2cc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)ccc2s1 70641542 QSIRUJOYKKAZOI-QGZVFWFLSA-N 381.457 2.971 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(=O)NC(C)C 44847599 AAEBPLLYAPTQTH-UHFFFAOYSA-N 390.505 2.963 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cc(OC)ccc2OC)c1 225967894 HHNKLZANFKKYPF-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB COCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224329166 KMLZVTVBMCHTPD-UHFFFAOYSA-N 396.896 2.931 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1C 223628262 QGWUJAFTPPKPRV-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COc1ccc(CCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222492300 AQVFZZQSRIMERN-UHFFFAOYSA-N 396.896 2.717 0 40 GFAB O=C(NC[C@H](O)c1ccc(Cl)cc1)c1nc(N2CCCC2)ncc1Cl 84392980 MLWBKQIEDJNPPO-AWEZNQCLSA-N 381.263 2.847 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 40160866 VXWJFLGGXUCKNK-LSDHHAIUSA-N 378.469 2.630 0 40 GFAB O=c1cc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)occ1O 572188862 WJMJQCXDYUJTNM-QVKFZJNVSA-N 379.416 2.949 0 40 GFAB O=C(NCCn1ccc2c(Cl)cccc21)c1cc(F)ccc1-n1cnnn1 95475564 IDFJUEMMYIPNHE-UHFFFAOYSA-N 384.802 2.840 0 40 GFAB CC(C)n1cc(C(=O)NCCCc2nnc3ccccn23)c2ccccc2c1=O 96232151 WMSHSJHWSXCMSP-UHFFFAOYSA-N 389.459 2.988 0 40 GFAB Cc1cnc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)cn1 96146790 XJUZZDCHJOXPGV-UHFFFAOYSA-N 378.457 2.979 0 40 GFAB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C1/C[C@H](c2ccc(Cl)cc2)NN1 95190828 MQLLVKGYIJPPDZ-PQDJCJPTSA-N 388.855 2.544 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F 243564680 ONZYEOAQMFFOHJ-UHFFFAOYSA-N 376.331 2.762 0 40 GFAB Cn1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)n1 585087019 DBOMCTAZRVRXSS-GOSISDBHSA-N 384.480 2.783 0 40 GFAB Cn1cc(N2CC[C@@H](NC(=O)C3(Cc4cccc(F)c4)CCCCC3)C2=O)cn1 585083041 VZGCAMXGLMVSJT-LJQANCHMSA-N 398.482 2.974 0 40 GFAB C[C@@H](C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1)N1CCCC1=O 257267239 MGNANQUJTQOADD-INIZCTEOSA-N 393.491 2.937 0 40 GFAB C[C@H](NC(=O)Nc1cnn(C)c1C(F)F)c1ccccc1NS(C)(=O)=O 677626653 SUHTWUDPLPPNKP-VIFPVBQESA-N 387.412 2.612 0 40 GFAB CSCc1cc(F)ccc1CNC(=O)c1nnn([C@H]2CCNC2)c1C(F)F 602460931 HPVYEBNQXQSXJD-ZDUSSCGKSA-N 399.442 2.682 0 40 GFAB CN(c1nnc(-c2cnsn2)n1C[C@H]1CCOC1)[C@@H]1CCc2ccccc21 1120424446 ZZTQHRBQKUIEHP-CXAGYDPISA-N 382.493 2.957 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CC[C@H]1C(=O)O 626751656 VCVAIDFOXQTQAU-KBXCAEBGSA-N 396.447 2.586 0 40 GFAB Cc1n[nH]cc1CNC(=O)CC1(N2Cc3ccccc3C2=O)CCSCC1 1565524263 CWAPMRVVXVWVHG-UHFFFAOYSA-N 384.505 2.646 0 40 GFAB Cc1cc2c(cc1Cl)C=CC1(CCN(CC(=O)N3CCOCC3)CC1)O2 12187972 APNIOWAGBMOYOQ-UHFFFAOYSA-N 376.884 2.747 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccc1 13585664 PFRZAPISUAYMCM-OAHLLOKOSA-N 390.486 2.765 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 19078781 YJCLPKUGIOVFLJ-LIRRHRJNSA-N 384.455 2.735 0 40 GFAB Cn1c(=O)n(C)c2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc21 19289782 JPSHOASWBNEFQD-KRWDZBQOSA-N 375.432 2.731 0 40 GFAB COc1ccccc1C(=O)N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19568906 JBIRZNCVDHDPCR-WBVHZDCISA-N 375.432 2.608 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19693504 XZNASFMHRAODPO-HXUWFJFHSA-N 390.491 2.760 0 40 GFAB Cc1nc([C@H]2CCCCN2C(=O)c2cnccn2)ncc1C(=O)N1CCCCC1 19765716 PWNPRZGPWIUYJP-GOSISDBHSA-N 394.479 2.569 0 40 GFAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4cc5c([nH]4)CCCC5)C[C@@H]32)Nc2ccccc21 12086087 LATCIQHVNGVSEJ-DLYSWHJUSA-N 390.487 2.927 0 40 GFAB CC(C)n1c(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc2ccccc21 1888863700 WPSZQPVBFUUMII-ROUUACIJSA-N 382.508 2.938 0 40 GFAB CC(=O)[C@H](NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)C(C)C 29028537 HGORRCJJWXZFRE-GOSISDBHSA-N 385.430 2.557 0 40 GFAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C)c(Cl)c3)c2=O)c1 2973280 RJBMFROXJIHYMF-UHFFFAOYSA-N 385.807 2.749 0 40 GFAB CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccco1 4036009 YGOJYOUMJZWTOG-MRXNPFEDSA-N 375.450 2.985 0 40 GFAB COc1ccc(OCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1 5075954 PUWULROSGUQRNN-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c(C)c1 9660975 RRLNLGAMFIKUAE-UHFFFAOYSA-N 383.473 2.506 0 40 GFAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 10233520 KKPAJNLQUJHJRK-CQSZACIVSA-N 379.464 2.786 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 49031268 WULJQVANTWJCGP-LJQANCHMSA-N 396.516 2.640 0 40 GFAB O=C([C@@H]1COc2ccccc2C1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575615110 BLCZKONCMBYPCC-AZUAARDMSA-N 385.485 2.626 0 40 GFAB O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 585500834 QIVMLSCZTWOTJZ-UHFFFAOYSA-N 391.475 2.551 0 40 GFAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40287733 LIHGHEMEPMIRGL-AWEZNQCLSA-N 375.388 2.578 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 10400250 INMYINCGYWXUMU-BLLLJJGKSA-N 394.518 2.596 0 40 GFAB C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1nc2ccccc2s1 40121891 XWBHZHIJEDCAQG-GFCCVEGCSA-N 385.474 2.948 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)c1 51163360 DGPWLZQFDWAALJ-UHFFFAOYSA-N 378.519 2.948 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(C(=O)c2cccs2)CC1 8343938 ZXJAIVONBRBTAQ-FNORWQNLSA-N 398.484 2.907 0 40 GFAB CCn1c(SCC(=O)NCCOc2ccccc2)nnc1-c1ccccc1O 8391518 CGNRGTYPJMKGCP-UHFFFAOYSA-N 398.488 2.958 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3C[C@@H]3COC(=O)N23)OCO4)cc(OC)c1OC 1590394 HSYGXWWIEPKNOV-YJYMSZOUSA-N 399.399 2.907 0 40 GFAB NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc2c3c(cccc13)CC2 32883599 VKTLSYAHGHHFIA-SFHVURJKSA-N 387.439 2.533 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 32863264 HYQIELBVKPCDKZ-RHSMWYFYSA-N 399.944 2.935 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)s1 4130148 ZCSKJLZYSNEUKB-UHFFFAOYSA-N 389.441 2.790 0 40 GFAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(S(N)(=O)=O)cc1 6509871 TWLDFDPGSLOSMX-JTQLQIEISA-N 388.367 2.724 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1 7378455 KBOSUNNHPRAECB-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c2nc(Nc3ccccc3)cc(=O)n12 1016756 OYHYTWIAHMLUMQ-UHFFFAOYSA-N 393.378 2.940 0 40 GFAB COC(=O)c1cn(CC(=O)Nc2cnc3c(c2)c(C)nn3C)c2ccccc12 24033064 JLVSPUDTCQVUDX-UHFFFAOYSA-N 377.404 2.657 0 40 GFAB CC(=O)Nc1cccc(N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 24084147 YJPZRWDRDBHTNJ-QGZVFWFLSA-N 380.492 2.790 0 40 GFAB COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3ccccc32)cc1OC 1249073 CJNMIASXXDOOKJ-UHFFFAOYSA-N 381.432 2.773 0 40 GFAB COC(=O)c1sccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 24908467 QGBGTXZGAOMQGH-SECBINFHSA-N 380.372 2.805 0 40 GFAB COc1ccc(N2C(=O)C[C@H](NNc3ncc(Cl)cc3Cl)C2=O)cc1 1427439 CVUSYQKDJXKOAC-ZDUSSCGKSA-N 381.219 2.646 0 40 GFAB COC(=O)CN1[C@@H]2CC[C@@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 100143879 PWRQUZAYRRUXMC-RDTXWAMCSA-N 378.432 2.640 0 40 GFAB C[C@H](NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2c(c1)CCCC2 100774866 CBUUUNBKIHMLMC-LOXXWQLCSA-N 392.499 2.938 0 40 GFAB Cn1ncc2c(=O)n(CC(=O)N[C@@H](CC3CCCCC3)c3ccccc3)cnc21 57265375 IFNAQZWCBNTGOX-IBGZPJMESA-N 393.491 2.958 0 40 GFAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)CCOc1ccc(Cl)cc1 26479758 MMUQXVPWPVHNCR-LLVKDONJSA-N 381.885 2.838 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NCc2cnn(-c3ccccc3)c2)CC1=O 23671420 MOSBKDUXNDMXMC-QGZVFWFLSA-N 390.443 2.550 0 40 GFAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 57898149 OLQKPZHGANUCSK-QWHCGFSZSA-N 396.896 2.941 0 40 GFAB CC(C)COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)cc1 57996922 XZJMZPYTMQJPKE-LJQANCHMSA-N 394.537 2.887 0 40 GFAB CCOc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccccc3F)CC2)C1=O 101274318 PICPUEKBDUZJAU-IBGZPJMESA-N 397.450 2.679 0 40 GFAB CCc1n[nH]c(SCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 58209122 JUKFCEZUZOWPKN-STQMWFEESA-N 375.498 2.712 0 40 GFAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 2137096 MYIFSMZGTFFKJH-UHFFFAOYSA-N 391.518 2.981 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 3218195 WLTQONAKKHLFPH-UHFFFAOYSA-N 394.427 2.896 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C(F)(F)F)cc1 28003748 PGORYVYUIHFKNU-UHFFFAOYSA-N 386.395 2.722 0 40 GFAB COc1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 36386373 ZXUTWUUALAJWHU-UHFFFAOYSA-N 395.503 2.719 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)C1CCCCC1 408618206 DMIDOVJWUUEATR-UHFFFAOYSA-N 382.526 2.852 0 40 GFAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(N2CCOCC2)cc1 3397035 ADFHCKFXSXMGFZ-UHFFFAOYSA-N 376.359 2.597 0 40 GFAB COc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1Br 11336610 RZYKTFONZDPXLP-UHFFFAOYSA-N 388.225 2.901 0 40 GFAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc3cccnc23)c1 11460662 GLCICWOEVUYWLE-UHFFFAOYSA-N 376.821 2.893 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccc(OC)cc2)s1 3521768 AYDPVYUFEJYARA-SECBINFHSA-N 381.483 2.617 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 12915831 SJZXWOJZUTUDKL-QGZVFWFLSA-N 393.443 2.753 0 40 GFAB Cc1ccccc1/C=C/C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 12994705 OICRLUQWBAWOGZ-MDZDMXLPSA-N 381.451 2.930 0 40 GFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(N(C)C)CC2)cc1 63735239 PKDVCBCLKZPFEJ-UHFFFAOYSA-N 390.487 2.860 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 17836013 AWDONRVACDRWEQ-HDICACEKSA-N 399.491 2.672 0 40 GFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 4393893 MXLQFHNAONZPLD-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CC1(C)CC(=O)c2sc(NC(=O)CS(=O)(=O)c3ccccc3)nc2C1 4436685 YPBBSNWHXUPNMR-UHFFFAOYSA-N 378.475 2.711 0 40 GFAB COc1nc(C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)cc2ccccc12 65542944 OISIJCKNDBYCAF-UHFFFAOYSA-N 394.431 2.574 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)N2CCCCC2)cc1 14161307 SLOKZUVKLWYSAF-QFBILLFUSA-N 399.491 2.750 0 40 GFAB CC(C)(C)OC(=O)N1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1 14189444 KFGMCPQAHSUIAP-UHFFFAOYSA-N 394.516 2.532 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)c1 14231069 SKKDKCFUSWBNNO-GFCCVEGCSA-N 383.404 2.787 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(C)(C)C 19296500 AJNFMFDGEPUEFB-UHFFFAOYSA-N 379.482 2.848 0 40 GFAB Cc1sc2ncn(CCC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1C 14856796 PGVSMPYBEFLUJG-UHFFFAOYSA-N 385.445 2.875 0 40 GFAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)c1ccc2c(c1)CCC2 5754529 HNPSJHTZQULULH-ZDUSSCGKSA-N 376.412 2.769 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccc(F)cc2)C1=O)c1ccccc1 9359522 RQLHLXMWSQZTKW-QGZVFWFLSA-N 395.312 2.566 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(Cn2c(CO)nc3ccccc32)n1 6908064 BKHLCDVGQAGVJN-UHFFFAOYSA-N 375.436 2.650 0 40 GFAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1N 6999956 ZJWUWUBDHWYTAO-UHFFFAOYSA-N 392.463 2.931 0 40 GFAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 5938291 NIRZUUDSEDHWFR-RUDMXATFSA-N 383.429 2.773 0 40 GFAB Cc1ccnc(NC(=O)CCCc2nnc3ccc(-n4nc(C)cc4C)nn23)c1 71282467 OQZQEUQUBDLNAD-UHFFFAOYSA-N 390.451 2.592 0 40 GFAB COc1cc(COC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC(F)F 7393888 OHYKCISEKOLAKN-UHFFFAOYSA-N 376.319 2.629 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc1S(N)(=O)=O 9114110 HHHVFHZIUFXGDX-ZDUSSCGKSA-N 384.457 2.987 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1=O 15842660 OKKVNOVYKPZJTA-CQSZACIVSA-N 376.478 2.619 0 40 GFAB COc1cccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)c1 15858661 IDFKWVIQPCUCPQ-UHFFFAOYSA-N 388.445 2.650 0 40 GFAB COc1ccc2nc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)sc2c1 71328950 SKZSYPSIPJQDTC-SNVBAGLBSA-N 381.417 2.610 0 40 GFAB CCCCN(C(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7814027 SNCLENUKKNTSKT-UHFFFAOYSA-N 398.488 2.676 0 40 GFAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCNC(=O)C1 95349201 CDWQLOPVPJZQRA-AWEZNQCLSA-N 377.794 2.754 0 40 GFAB CCOc1ccc(CNC(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1F 95461359 DDSJMOLNNPRHHQ-UHFFFAOYSA-N 394.406 2.936 0 40 GFAB O=C1CCCN1CCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 95956540 SPOQIHJNJSDHRB-UHFFFAOYSA-N 384.505 2.924 0 40 GFAB O=C(Nc1nncn1-c1ccccc1)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 95993277 ZQNUKNMIEMFURW-LLVKDONJSA-N 376.342 2.684 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 20014024 JZCBXQVICMTNBS-INIZCTEOSA-N 390.505 2.892 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 23752903 ZEYRJMSNOCNYMV-UHFFFAOYSA-N 398.488 2.552 0 40 GFAB Cc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 22328194 BJPGLDJYEXOFRB-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306140320 UPRKFLVGQDOYPL-GJZGRUSLSA-N 385.899 2.518 0 40 GFAB COc1cccc(CN2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)c1 306134708 NVSTWPPOUOVSSZ-UHFFFAOYSA-N 397.523 2.654 0 40 GFAB Cc1ccc(-c2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)c(C)c1 1501040579 ZZWRLLHRJYCWER-CYBMUJFWSA-N 391.522 2.609 0 40 GFAB CC(=O)Oc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCc1ccccc1 3844198 XAWWOCTXPCFFOU-LJQANCHMSA-N 380.400 2.983 0 40 GFAB biogenic CCn1cc([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)c(C)n1 36619179 YVKSWOYEAQSKLM-ZDUSSCGKSA-N 375.436 2.807 0 40 GFAB Cn1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)c2nccnc21 72395907 NDRDNZMHJKZOEP-LBPRGKRZSA-N 391.884 2.585 0 40 GFAB Cc1nc2ccccc2n1CC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 32751605 BHHNHIWUUXZQSE-UHFFFAOYSA-N 381.476 2.973 0 40 GFAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 32895750 NUJOYCPWMBWKSL-FCEWJHQRSA-N 382.526 2.966 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349706 VEHSBKXKVCWMOS-IBGZPJMESA-N 397.494 2.850 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(F)cc1 40625583 YUTIOJDSTZYSFV-UHFFFAOYSA-N 392.452 2.800 0 40 GFAB CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2N)CC1 226263719 MYEDOMMTZZIVTK-UHFFFAOYSA-N 384.480 2.680 0 40 GFAB O=C(NCc1ccc(-c2cccnc2)cc1)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 570258915 NQXAKICDIUVHIH-PWRODBHTSA-N 381.476 2.820 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225866447 ZKNBHLBVQQXJTF-UHFFFAOYSA-N 394.518 2.985 0 40 GFAB COc1ccc(NC(=O)CN2CCN(Cc3csc(C)n3)CC2)cc1Cl 40059779 OODKWVMBFAGETE-UHFFFAOYSA-N 394.928 2.870 0 40 GFAB O=C(CSc1nc2ccccc2s1)NCCCc1cnc2ncnn2c1 225645214 CNOCIUOJVXKAFD-UHFFFAOYSA-N 384.490 2.575 0 40 GFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4)CC3)n2)c1C 256046141 DAWBSICRDSQDST-UHFFFAOYSA-N 377.448 2.909 0 40 GFAB CN(C)CC(=O)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257313761 UUAFHPMMILUZIX-GFCCVEGCSA-N 394.401 2.512 0 40 GFAB CCCc1cc(C(=O)N2CCO[C@H](c3ccc(Nc4cnccn4)cn3)C2)no1 257314477 UXDYOQZDZHVSTO-SFHVURJKSA-N 394.435 2.769 0 40 GFAB Cc1ccc2nc(O)cc(C(=O)N3CCC[C@](O)(CN4CCCC4)CC3)c2c1 257311814 ULDJHELYODMIMD-JOCHJYFZSA-N 383.492 2.702 0 40 GFAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCCn2nc(C)cc2C)c1 257270155 MSZWNYUBSAWNND-UHFFFAOYSA-N 391.475 2.628 0 40 GFAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4nonc4N)C3)c2)c1 257207887 BJUGLSYIEXNITK-CYBMUJFWSA-N 394.435 2.737 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccc(Cl)cc1 257280962 ONBYQXPEGDRUHI-MJGOQNOKSA-N 377.916 2.850 0 40 GFAB CCOC(=O)CN(C(=O)c1ccccc1)[C@@H](C(=O)NC(C)(C)C)c1ccccn1 255187747 GNFSOSXQHPRPKO-LJQANCHMSA-N 397.475 2.743 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@]12CCCO2 257337842 YUQQWNBVJHGNRA-RHSMWYFYSA-N 381.885 2.768 0 40 GFAB C[C@]12CC[C@@H](CNC(=O)Cn3ccnc3)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2 257302043 SBEFXFGDCJDHIV-KHKYPALMSA-N 397.519 2.882 0 40 GFAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@H]1CCCO1 260912363 FUPIZKCEEWRMFZ-ATZDWAIDSA-N 386.521 2.681 0 40 GFAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)c2ccccc21 630420860 IIMNXGHBNUTNIQ-INIZCTEOSA-N 375.450 2.765 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NCc2cnccc2C(F)(F)F)CC1=O 621201635 CUBCATLEHQKYMF-LBPRGKRZSA-N 393.365 2.778 0 40 GFAB O=C(Cc1cc(C(F)(F)F)ccn1)N[C@H]1CCS(=O)(=O)c2ccccc21 623719884 NVBCDVIAUOGCRQ-AWEZNQCLSA-N 384.379 2.678 0 40 GFAB N#Cc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 390828714 BRRDDYNTUNXWAQ-HNNXBMFYSA-N 381.413 2.668 0 40 GFAB CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 50739255 YLFJTAUMYWQFRR-AWEZNQCLSA-N 387.402 2.791 0 40 GFAB O=C(CNC(=O)C1CCCC1)Nc1ccc(CCN2CCSCC2)cc1 58215563 XBKRQBRPQODKTP-UHFFFAOYSA-N 375.538 2.523 0 40 GFAB Cn1ccc(NC(=O)CN2CCC[C@H]2c2csc(Nc3ccccn3)n2)n1 1615129312 HGKURKSXPNCLQT-AWEZNQCLSA-N 383.481 2.791 0 40 GFAB CCN1C(=O)NC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O 11612486 WYUJXANMACZPBM-UHFFFAOYSA-N 377.444 2.900 0 40 GFAB CCn1cc(C(=O)N2CCC[C@H](n3nc(-c4cccs4)ccc3=O)C2)c(C)n1 12129413 CNFKPGCHDRARTF-HNNXBMFYSA-N 397.504 2.974 0 40 GFAB Cn1nc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2nccnc21 12228541 XDGKDGFOZUNHTF-UHFFFAOYSA-N 391.884 2.585 0 40 GFAB Cn1c(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)nc2ccccc21 15674663 DCUIWURMTZZULG-APWZRJJASA-N 389.459 2.855 0 40 GFAB biogenic,in-vitro Cc1nnc(SCC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)o1 12086979 FBQFYVQWTGZKKL-CQSZACIVSA-N 375.450 2.659 0 40 GFAB Cc1nc2cc([C@H]3CCCN3C(=O)CCc3c(C)noc3C)nn2c(O)c1C 12336982 RGQZMAICUBAUSY-QGZVFWFLSA-N 383.452 2.953 0 40 GFAB Cc1ccccc1CC(=O)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13227649 XKIRBHZLTIQRSW-KRWDZBQOSA-N 389.459 2.896 0 40 GFAB O=c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)nc(-c2cnccn2)[nH]1 19292898 FCAWCKDAQQEXJL-AWEZNQCLSA-N 383.402 2.885 0 40 GFAB Cc1nc(N2CC[C@H](COc3ccc(C(C)(C)C)nn3)C2)c2cnn(C)c2n1 1888876169 WWCOVPQGVJTUST-AWEZNQCLSA-N 381.484 2.665 0 40 GFAB O=C1CC[C@@H](c2nc(CNC3CCC(F)(F)CC3)no2)N1Cc1ccncc1 1775964011 NSIHBECXCOAIAB-HNNXBMFYSA-N 391.422 2.996 0 40 GFAB biogenic,in-vitro O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CCn2c1nc1ccccc12 238954494 XQSQHSSNUJVCDG-ZDUSSCGKSA-N 384.823 2.913 0 40 GFAB Cc1noc(C)c1CN1CC[C@]2(C1)CN(C(=O)c1cc[nH]c1)CCC2(F)F 1565546745 JMUBHWXQHLTSED-SFHVURJKSA-N 378.423 2.993 0 40 GFAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccccc2OC(C)C)n(C)n1 1565554521 UFTCDJKGVBCNIO-PMACEKPBSA-N 382.508 2.891 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c(C)c1 5075747 WDVRAMFIJGZJII-UHFFFAOYSA-N 394.518 2.953 0 40 GFAB Cc1ccc2nc(NC(=O)CN3CCN(CC(=O)c4ccco4)CC3)sc2c1 36708324 SLVWUGDADLWGTN-UHFFFAOYSA-N 398.488 2.637 0 40 GFAB CN1CCN([C@H](CNC(=O)Nc2cccs2)c2ccc3c(c2)OCO3)CC1 38624926 RFCGVJXFUOVCLX-OAHLLOKOSA-N 388.493 2.587 0 40 GFAB Cn1c(SCC(=O)Nc2nccs2)nc2sc3c(c2c1=O)CCC3 5022671 LXHHNLVZLVQQHZ-UHFFFAOYSA-N 378.504 2.671 0 40 GFAB Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCS(=O)(=O)C2)cs1 40039465 OCJZLFZDYGZQGC-LBPRGKRZSA-N 382.532 2.661 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)N(C)CC(=O)Nc3cccc(F)c3)CC2=O)cc1 8314307 CGASCULTWYDQIB-KRWDZBQOSA-N 397.450 2.580 0 40 GFAB COc1ccccc1[C@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]1C(=O)c1ccccc1 909086 MTWSQTLPVMNEGM-DAYGRLMNSA-N 394.349 2.799 0 40 GFAB COC(=O)CSc1nnc(COc2ccccc2OC)n1Cc1ccco1 933962 VUQARROSEWSIKN-UHFFFAOYSA-N 389.433 2.772 0 40 GFAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 2146462 FGCRNGIMEMHLIU-GJPOJAMWSA-N 391.423 2.725 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccccc1C(C)=O 3491518 PBUSUYOUAYVPPR-UHFFFAOYSA-N 397.460 2.913 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)Nc2ccccc2C)c1 32945304 BHBZNXOLEYOLKO-UHFFFAOYSA-N 383.404 2.707 0 40 GFAB NC(=O)c1c(NC(=S)NC(=O)C(Cl)(Cl)Cl)sc2c1CCC2 6261971 HIPMFRIYUBXKRL-UHFFFAOYSA-N 386.713 2.519 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](O)COc1cccc(F)c1 32933087 WDTFWEOXOUUEQI-INIZCTEOSA-N 386.427 2.629 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N(C)C 52710239 KSXJOFMAYDKYAN-AWEZNQCLSA-N 397.541 2.537 0 40 GFAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1 6967831 ZVONXXMKYBBEGM-UHFFFAOYSA-N 397.504 2.883 0 40 GFAB COCCNC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1N 7499947 VZTULHSSHKWJLQ-UHFFFAOYSA-N 388.312 2.989 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cn3cncn3)cc2)c1C 10387970 NCANWGMMJHADKQ-UHFFFAOYSA-N 377.448 2.654 0 40 GFAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)N[C@H](C)c1ccccc1 8416617 AFKCCHAXFXITSQ-OAHLLOKOSA-N 384.432 2.835 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccsc3)CC2)cc1OC 22915739 XQENVAZYAQPDSC-OAHLLOKOSA-N 389.521 2.910 0 40 GFAB CCOc1ccc(CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc1 57731563 ONNVDTQDZYQQEV-UHFFFAOYSA-N 379.460 2.802 0 40 GFAB CC(C)N1CCC[C@@H](CNC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 105274361 RKZJRDOYUZPGIJ-KRWDZBQOSA-N 399.539 2.797 0 40 GFAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4CC4CC4)nn3c(O)c2C1 100233914 ZPBQWRSWCFIBIJ-IBGZPJMESA-N 395.507 2.667 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 12525479 IJORQZSLAMNUHW-UHFFFAOYSA-N 391.475 2.576 0 40 GFAB CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 106364118 HXXZBXUGIQUDGY-KGLIPLIRSA-N 384.307 2.899 0 40 GFAB COc1ccc2c(=O)c(C(=O)N(C)Cc3ncc(C)c(OC)c3C)c[nH]c2c1 57557927 ABUPNWCPAYSURN-UHFFFAOYSA-N 381.432 2.829 0 40 GFAB O=C(COC(=O)COc1cccc(Br)c1)NCc1ccccc1 3246594 LJHBMMCBCHVGRM-UHFFFAOYSA-N 378.222 2.688 0 40 GFAB COC(=O)c1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 58010998 RATZNTCDOVNJCV-GJZGRUSLSA-N 398.463 2.804 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccccc3OC)CC2)cc1 58169363 COLRCXGTIIKSTA-QGZVFWFLSA-N 383.492 2.531 0 40 GFAB COc1ccccc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 2133052 XSYHIHJZMIBQBO-UHFFFAOYSA-N 376.434 2.848 0 40 GFAB O=C1COc2ccc(C(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2N1 58324820 HJEXMUGAWYLDET-UHFFFAOYSA-N 394.427 2.518 0 40 GFAB COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(N)=O 3315274 AUXKELHUVXIXBC-UHFFFAOYSA-N 398.488 2.748 0 40 GFAB COc1ccccc1COC[C@@H](O)CN[C@H](c1ccc(F)cc1)c1nccn1C 28657717 VUPDWVWIPAJFIH-PZJWPPBQSA-N 399.466 2.825 0 40 GFAB COc1ccc(-c2cc(C(F)F)nc(NCCN3CCOCC3)n2)cc1OC 36614000 BSHCXPHXQZVTLO-UHFFFAOYSA-N 394.422 2.843 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 11658672 NQVJDYDLXKSBTO-UHFFFAOYSA-N 381.432 2.962 0 40 GFAB CN(C)[C@@H](CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 48340766 IYJUJXBTYQUYRS-JNCPLXCYSA-N 383.536 2.738 0 40 GFAB Cc1cc(Cl)ccc1S(=O)(=O)N(CCCN(C)C)CCCN(C)C 48308689 LAQBQEPTZJIEQM-UHFFFAOYSA-N 375.966 2.543 0 40 GFAB COc1cc(NC(=O)COC(=O)c2ccc(Br)o2)cc(OC)c1 3466603 YLWFRCBCWUGHTM-UHFFFAOYSA-N 384.182 2.855 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 12900753 FLELJAKULOGROP-QGZVFWFLSA-N 375.432 2.758 0 40 GFAB COc1cccc(NC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)c1 9384770 IKIXTXNYSCPJQA-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(c2nc3ccccc3o2)CC1 39983751 XFPMRINCKDWJKU-UHFFFAOYSA-N 378.388 2.986 0 40 GFAB CC(=O)N1CCN(Cn2nc(-c3ccc(Br)cc3)oc2=S)CC1 14200293 NAVQZRNADYCQEX-UHFFFAOYSA-N 397.298 2.757 0 40 GFAB Nn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccs1 6602401 NITZVEHJRBMBSZ-UHFFFAOYSA-N 379.898 2.782 0 40 GFAB Cc1c(CC(=O)NCCCC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 6624405 LJNRNRXEHFJCST-UHFFFAOYSA-N 387.432 2.729 0 40 GFAB biogenic COc1ccccc1N1CCN(C(=O)C[C@@H](C)CC(=O)N2CCCCC2)CC1 4739548 VLNZLJDFPYCNJS-SFHVURJKSA-N 387.524 2.773 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 6806936 JPJHSVHWEQIHKU-UHFFFAOYSA-N 393.447 2.577 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2cc(OC)ccc2OC)c(F)cc1F 24428369 PRMOGMCAVLLXFM-UHFFFAOYSA-N 387.360 2.569 0 40 GFAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccccc1 7251693 QACLWLURSFECFO-HXUWFJFHSA-N 379.460 2.905 0 40 GFAB Cc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CC3 15841936 AFZPBWCFSLHKSR-UHFFFAOYSA-N 395.484 2.996 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)c1 15905428 PHKDZDGCQXIOBV-NXWNEQKCSA-N 378.428 2.817 0 40 GFAB Cc1nnc(SCC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)n(N)c1=O 7813642 QURJOOYJIJJHMA-AWEZNQCLSA-N 397.504 2.663 0 40 GFAB CCc1c(O)nc(SCC(=O)Nc2nc3ccc(C)cc3s2)[nH]c1=O 9191412 JBRCWKICTHBJLJ-UHFFFAOYSA-N 376.463 2.687 0 40 GFAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccccc3F)c2)n1 71768562 BBKQLBBZLXGOOD-UHFFFAOYSA-N 392.394 2.949 0 40 GFAB COC(=O)c1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1 9578496 UNAOFMKWJPGEPH-UHFFFAOYSA-N 379.416 2.832 0 40 GFAB COC(=O)CNC(=O)c1cccc(NC(=O)c2oc(-c3ccccc3)nc2C)c1 78875780 ORHHMMVYRBRXTC-UHFFFAOYSA-N 393.399 2.805 0 40 GFAB CS(=O)(=O)CCOc1cccc(NC(=O)NCC2(CCO)CCCCC2)c1 79056566 CZYWFDSWFDEVDA-UHFFFAOYSA-N 398.525 2.564 0 40 GFAB Cn1cc(-c2ccc3nnc(C4CCN(Cc5cccs5)CC4)n3n2)cn1 306137960 RLCSMBIVBKBNOC-UHFFFAOYSA-N 379.493 2.966 0 40 GFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974791 YPLHPLBJQQZASI-HZPDHXFCSA-N 382.526 2.709 0 40 GFAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCc4ccc(Cl)cc4)n3)c2n1 32091214 USGJKJYATJQTTO-UHFFFAOYSA-N 382.811 2.980 0 40 GFAB Cn1nccc1C(=O)N[C@@H]1COCc2c1cnn2-c1ccc(C(F)(F)F)cc1 306138211 RSIOHWDUQPVOCH-CQSZACIVSA-N 391.353 2.626 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 31810758 QKAJOVZDDLMDPO-OAHLLOKOSA-N 395.423 2.761 0 40 GFAB CC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)C1 72369599 VSZBHACNXAKDJI-QGZVFWFLSA-N 397.523 2.673 0 40 GFAB CCOc1ccc2ccccc2c1C(=O)N1CCN(CCn2cccn2)CC1 62021981 JQHFTOMDOGOEGJ-UHFFFAOYSA-N 378.476 2.893 0 40 GFAB CN1C(=O)C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 72242134 YYCOIFNJFYRHME-IFMALSPDSA-N 395.478 2.690 0 40 GFAB CCc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O 44791269 LYZVPIGUXFHAPV-UHFFFAOYSA-N 392.546 2.924 0 40 GFAB C[C@@H]1CN(C(=O)Nc2nc(CN3CCOCC3)cs2)Cc2ccccc2O1 574109010 MUBABXIADMZFRQ-CQSZACIVSA-N 388.493 2.790 0 40 GFAB O=C(COc1ccc(CCNC(=O)c2ccc3ncsc3c2)cc1)NC1CC1 48365232 LNVYVSXBLDQSPF-UHFFFAOYSA-N 395.484 2.926 0 40 GFAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225963374 UAQZUKFOYUSWBZ-UHFFFAOYSA-N 397.884 2.809 0 40 GFAB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220611594 ANXAWNPAOPGWOJ-SFHVURJKSA-N 392.477 2.887 0 40 GFAB CCc1cc(N2CCC[C@@H](NC(=O)c3cn(C)nc3-c3ccc(C)o3)C2)ncn1 528556055 RUKMIGUEVSKNQV-MRXNPFEDSA-N 394.479 2.740 0 40 GFAB COCCN(CCOC)C(=O)c1cc2c(c3ccccc3n2C)n1CCOC 96037249 CJTWWDGMJLLION-UHFFFAOYSA-N 387.480 2.514 0 40 GFAB Cc1ccc(NC(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1 96237796 MHOYZKIUOVXVFX-JOCHJYFZSA-N 378.476 2.950 0 40 GFAB CCOC1CC2(CCN(C(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)C2)C1 579686003 DWYUBWSQSDZNCD-GNZRSQJKSA-N 375.444 2.532 0 40 GFAB Cc1ncc2c(n1)[C@@]1(CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C1)COC2 247956835 MFHWULLYBLDWQX-HXUWFJFHSA-N 387.505 2.771 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229829 GSMHWGACMCKVET-PABYOWBDSA-N 392.455 2.767 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 247847467 FKCUFWNDTOMWDZ-WKUQZLKGSA-N 397.519 2.543 0 40 GFAB Cc1cc(C)n2ncc(CN3C[C@@H]4[C@@H](CC[C@]4(O)c4ncccc4C)C3)c2n1 257367380 DWDVNOSIESYJLT-LRXVAGHRSA-N 377.492 2.779 0 40 GFAB CCN1C(=O)CCc2cc(S(=O)(=O)NCCc3ccccc3F)ccc21 257173076 CBPJGEVIECGGCO-UHFFFAOYSA-N 376.453 2.646 0 40 GFAB COc1ccc(CCNC(=O)N2CCCSC[C@H]2CN2CCCC2)cc1 85473248 AXXSQBYPCADCLQ-GOSISDBHSA-N 377.554 2.851 0 40 GFAB CN1C(=O)CN(Cc2nc(C3(c4ccc(C(F)(F)F)cc4)CCC3)no2)C1=O 624650583 FOQMEGVKWNYETJ-UHFFFAOYSA-N 394.353 2.952 0 40 GFAB COc1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1Cl 657237932 ODLHWMAPROBYBW-UHFFFAOYSA-N 397.880 2.949 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1Cl 96025404 ZRZHJILUJVADBY-MRXNPFEDSA-N 399.921 2.885 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)OCCO)cc1 96338004 OYSRNGOUJSFEBM-CYBMUJFWSA-N 375.899 2.738 0 40 GFAB C[C@H]1Sc2ccc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)cc2NC1=O 58168360 HHXAHMCCTQKACD-LLVKDONJSA-N 379.445 2.834 0 40 GFAB Cc1cc2nccc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)n2n1 12119002 UBYVABRTYVWLFT-MRXNPFEDSA-N 378.432 2.829 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 13057164 ZENQIWTVHWSZQW-IAGOWNOFSA-N 393.553 2.778 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccc3c(c2)OCO3)n2nc(-c3cccc(C)c3)nc2N1 13123603 HQSQFZUCRQFSSR-GOSISDBHSA-N 389.415 2.756 0 40 GFAB aggregator O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCC[C@@H](O)C2)cc1)OCO3 13563068 QMNFPYLBGQXCQQ-GOSISDBHSA-N 393.443 2.830 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 13648577 NIWHRBUOIAWQSI-LBPRGKRZSA-N 380.416 2.709 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 19018391 XWELYQNWRHVFTA-GOSISDBHSA-N 380.492 2.769 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)c1 19079316 QCHREHBMHBYQFG-YWZLYKJASA-N 396.491 2.604 0 40 GFAB O=c1[nH]c(-c2ccccn2)nc2c1CN(Cc1ccccc1N1CCCC1)CC2 19349319 HTOWYPFMKXFOGN-UHFFFAOYSA-N 387.487 2.990 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2csc(C)c2)C3)C1 19571915 FPBBLNNDRSHLTA-HNNXBMFYSA-N 384.505 2.771 0 40 GFAB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)O 8110924 PECVKALBWUHMAF-SDQBBNPISA-N 378.812 2.778 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@@H]1CCCO1)[C@@]1(C2)NC(=O)c2ccccc2N1 12142429 QVXMXTCAIIWPSN-FWRRYORGSA-N 383.492 2.660 0 40 GFAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)Cc2cccc(F)c2)cc1 12231144 YUYOBMUOFWTIPO-UHFFFAOYSA-N 392.434 2.843 0 40 GFAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)COC)C1 19528889 DCYDLQGFJKGEJA-QHCPKHFHSA-N 380.488 2.897 0 40 GFAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3Cl)CC2)n1 1889128422 HBMZWHNJURELDZ-UHFFFAOYSA-N 387.915 2.597 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@]2(O)CCCc3sccc32)cc1F 1889186466 AVTNMPZOIXJHIX-QGZVFWFLSA-N 385.482 2.788 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)N1CC(n2cc(-c3ccccc3)nn2)C1 238952496 XFTHQVOVKUQMQF-UHFFFAOYSA-N 388.880 2.985 0 40 GFAB Cc1sc(NC(=O)CSCC(=O)N2CCOCC2)nc1-c1ccccc1 2723406 WKIQIJSTZWYMLZ-UHFFFAOYSA-N 391.518 2.649 0 40 GFAB O=C(CSCc1ccccc1)NCCCn1nc(-c2cccnc2)ccc1=O 11745563 JMQCXFDGCLNGKG-UHFFFAOYSA-N 394.500 2.745 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38730655 YYFFKOGTMGTPGE-CVEARBPZSA-N 394.500 2.572 0 40 GFAB Cc1cc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)ccc1F 45970551 IRRLNHWVJLIBAN-UHFFFAOYSA-N 387.440 2.539 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)n1cccn1 575614470 UFOZBGYYGRWSBY-MRXNPFEDSA-N 384.461 2.606 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2cc(C)c(C)cc2C)cc1 77184815 UETOLJYVXPRQCS-FQEVSTJZSA-N 377.506 2.892 0 40 GFAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 26538615 FHUXJYUYPFCNTJ-UHFFFAOYSA-N 380.444 2.723 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)c2ccc(O)cc2O)cc1 100561234 AIIGKHQHTPRBST-MRCUWXFGSA-N 398.440 2.602 0 40 GFAB CC(=O)Nc1cc(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)ccc1F 40051291 STRQDUJXQVBJHM-UHFFFAOYSA-N 386.427 2.602 0 40 GFAB COc1ccc(S(=O)(=O)Oc2cc(C)cc(C)c2CN2CCOCC2)cc1 20218673 HQEPASKUBVIPOY-UHFFFAOYSA-N 391.489 2.912 0 40 GFAB Cc1ccc(Oc2ccccc2NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 31296909 WOZBKBNCTVEFQZ-JLHYYAGUSA-N 391.427 2.837 0 40 GFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1Br)OCO2 842272 PUPUGFQHKXCTGO-AWEZNQCLSA-N 397.225 2.711 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)c(OC)c1 932377 OOGIQGPYXAAHBW-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB CCCCn1c(-c2ccc3c(c2)OCCO3)nc2c1c(=O)[nH]c(=O)n2CCC 32668210 ISQFAUPCEDMAOC-UHFFFAOYSA-N 384.436 2.535 0 40 GFAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 2148394 VRYXPHQYBKGICT-INIZCTEOSA-N 375.421 2.740 0 40 GFAB biogenic Cc1nc2ccccc2nc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 32771206 ICZVBDAYXBCTJU-IRXDYDNUSA-N 381.524 2.565 0 40 GFAB COc1ccc(CNC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 32873811 FFDLCXFSPBDDEC-UHFFFAOYSA-N 385.508 2.819 0 40 GFAB COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1 4164900 LUVXOCXETXYOCU-UHFFFAOYSA-N 383.477 2.905 0 40 GFAB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC 6937298 ZXYYOTPGAGDIIO-BVTUPMQUSA-N 395.415 2.934 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)N[C@@H](C)c3nnc4ccccn34)CCC2=O)c1 52758705 LWVGKFGNMBQMBT-HNNXBMFYSA-N 390.447 2.706 0 40 GFAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c1 8036527 YGFOHCDHVGVNEQ-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)OCC(=O)Nc3cccnc3Cl)cc2NC1=O 8713426 QMOUJOAWZWMQPS-VIFPVBQESA-N 391.836 2.963 0 40 GFAB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NCCC1=CCCCC1 8723468 KVSYXQRMHPHZMW-CQSZACIVSA-N 379.478 2.642 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 22393313 HIGGWIQZTVQVRO-UHFFFAOYSA-N 377.466 2.647 0 40 GFAB O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCN(c2ccccn2)CC1 12323670 QVOKIILLRFKJMJ-UHFFFAOYSA-N 375.354 2.939 0 40 GFAB CCOc1ccc(CN2CCN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)cc1 22801596 FHEMOJMSQNDAIO-SFHVURJKSA-N 399.539 2.580 0 40 GFAB COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 47214092 FOJQUVMNRRQXNQ-UHFFFAOYSA-N 394.880 2.638 0 40 GFAB CCCN1C(=O)[C@](NC(=O)C2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12411057 TXQXFFSTVQLJPX-KRWDZBQOSA-N 390.402 2.683 0 40 GFAB C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)N1CCc2ccccc21 23731541 HMNMNFJXRVJXHB-SFHVURJKSA-N 379.504 2.586 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 105663710 AMRJONWTBHUORF-BQDHWQRKSA-N 396.462 2.980 0 40 GFAB CCCCn1c(=O)n(Cc2cc(C)no2)c(=O)c2c1ncn2Cc1ccccc1 12507071 KQVNGQLAXSWKDW-UHFFFAOYSA-N 393.447 2.553 0 40 GFAB Cc1ccc(CNC(=O)CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1F 107367537 QUKPVCSSHBCYPG-KXBFYZLASA-N 378.394 2.836 0 40 GFAB CCN1C[C@@H](CN(C)C[C@H](O)COc2cccc(C(C)=O)c2)Oc2ccccc21 35284103 VDAGEKSORBBVPH-PZJWPPBQSA-N 398.503 2.848 0 40 GFAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)CCOc1ccc(Cl)cc1 26479766 MMUQXVPWPVHNCR-NSHDSACASA-N 381.885 2.838 0 40 GFAB CC(=O)c1ccccc1OCCOC(=O)c1cccc(CS(C)(=O)=O)c1 26587228 ACHILCRUTRCEQI-UHFFFAOYSA-N 376.430 2.670 0 40 GFAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c(C)c1 57492901 IUWLGOFYAMEUIX-UHFFFAOYSA-N 397.500 2.890 0 40 GFAB CCCCCC(=O)NC(=S)Nc1cc(C(=O)OC)ccc1N1CCOCC1 57327788 HDVSFSBZVOSAKU-UHFFFAOYSA-N 393.509 2.703 0 40 GFAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(F)ccc1F 12604767 LTMYLYDUJKBBGA-UHFFFAOYSA-N 377.376 2.754 0 40 GFAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1 12630943 UUVSKATVPJPJFX-CQSZACIVSA-N 386.883 2.841 0 40 GFAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 58377540 VFLMBCXEVIDCDM-KRWDZBQOSA-N 377.488 2.990 0 40 GFAB CC(C)CCn1c2c(=O)nc(O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10964416 XJQPVYNDBIWLLN-UHFFFAOYSA-N 386.843 2.850 0 40 GFAB O=C(O)c1ccc(CN2C(=O)S[C@@H](Nc3cccc(C(=O)O)c3)C2=O)cc1 2439288 OIYCRSBCZSNDCC-CQSZACIVSA-N 386.385 2.717 0 40 GFAB COc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)cc1OC 2441208 WWPAAAOPHCMUPX-UHFFFAOYSA-N 376.390 2.684 0 40 GFAB Cc1cc(N2CCN([C@@H](C)C(=O)NCc3ccc(F)cc3)CC2)nc(C(C)C)n1 12819531 LPFXOPVPNYNGBS-KRWDZBQOSA-N 399.514 2.874 0 40 GFAB C[C@@H](OC(=O)c1cnn(-c2ccccc2)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 12884880 IVAMCNMFRYANRV-CYBMUJFWSA-N 391.383 2.631 0 40 GFAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 3498791 UTMZAPCRCGZLBA-LBPRGKRZSA-N 383.433 2.819 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)nc2n1 3542204 BEIUWFUREPDHIH-UHFFFAOYSA-N 389.209 2.543 0 40 GFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OC(F)F 12942901 HMLGNGGPVDSTGV-NSHDSACASA-N 380.347 2.877 0 40 GFAB CCn1c(SCC(=O)O)nnc1[C@@H](NC(=O)c1ccccc1F)C(C)C 72328142 DRDAHRFSTCGDKF-AWEZNQCLSA-N 380.445 2.741 0 40 GFAB O=C(O)C[C@H]1Sc2nnc([C@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 13182946 LDLNZPMXUNJJTA-VXGBXAGGSA-N 378.841 2.984 0 40 GFAB O=C(CS(=O)(=O)C1CCCC1)NCC1(c2cccc(Cl)c2)CCOCC1 72019632 QGSUMDAAXBAONH-UHFFFAOYSA-N 399.940 2.862 0 40 GFAB CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(OC)cc(OC)c1 64382214 XFAUCXDPIWLJFM-KRWDZBQOSA-N 392.496 2.584 0 40 GFAB O=C(N[C@H](CO)Cc1ccccc1)c1ccc(I)cc1 6240167 JAIUQNMQPPNTAO-HNNXBMFYSA-N 381.213 2.625 0 40 GFAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)NCCCOC(C)C)CC3=O)c2c1 13944666 LUGOZMSIECDIBN-SFHVURJKSA-N 385.508 2.799 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 4512500 IECFKUOKCLAUGH-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CSc1cccc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)c1 71282712 VJZQTMKMHIIHHU-UHFFFAOYSA-N 384.505 2.879 0 40 GFAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6653434 UDLXBDYPSIYBNN-LBPRGKRZSA-N 376.503 2.942 0 40 GFAB COc1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1 14676247 BDYJVYCDSIPDNM-UHFFFAOYSA-N 391.445 2.502 0 40 GFAB Cn1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)n1 14899679 PSWVPZHMEYFUOK-MRXNPFEDSA-N 393.472 2.943 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)c1ccccc1 5791796 JFHYSXZSNBYVIQ-MPBGBICISA-N 387.386 2.609 0 40 GFAB Nn1c(SCc2ccc(N3CCCC3=O)cc2)nc2cc(F)ccc2c1=O 71327735 KSPONNMKZZZHJW-UHFFFAOYSA-N 384.436 2.669 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 6949225 DVXVGUDWJMRAMQ-MRXNPFEDSA-N 377.466 2.700 0 40 GFAB C[C@H](NC(=O)COc1ccc(-n2cnnn2)cc1)C12CC3CC(CC(C3)C1)C2 5975682 CZNNWSWQYPNEOE-HILYYZTDSA-N 381.480 2.762 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)NC[C@@H](O)c1ccc2ccccc2c1 67456920 VHZZDXPQBDYMIE-HXUWFJFHSA-N 387.443 2.953 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 7599058 NGMQFKSKWMNALZ-UHFFFAOYSA-N 381.837 2.914 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1cn(C)nc1C 68156169 LTHXGNXJJLRJJL-KSSFIOAISA-N 384.480 2.609 0 40 GFAB Cc1ccc(C(=O)Oc2c(C)cccc2C)cc1S(=O)(=O)N1CCOCC1 7658035 ANAPONWDNBDHAC-UHFFFAOYSA-N 389.473 2.852 0 40 GFAB CC(C)CCC[C@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16046683 UOBAMJCZWHHOAW-KXBFYZLASA-N 398.507 2.962 0 40 GFAB COc1cc(CCNS(=O)(=O)c2ccccc2F)ccc1OC(F)F 7703882 HHAKQQYKULXJOM-UHFFFAOYSA-N 375.368 2.957 0 40 GFAB Cc1nc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)nn1-c1ccc(F)cc1 8232604 BIRXLTKTAGJZBJ-UHFFFAOYSA-N 379.395 2.859 0 40 GFAB COc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccs3)C2)c1 97105867 KXHWJKPWEZZPKW-SFHVURJKSA-N 385.489 2.767 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408602788 IXUNVXGKMHSTIV-NSHDSACASA-N 398.868 2.663 0 40 GFAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cnn(Cc2ccccc2)c1 25120348 OFNVSDXRSLPIFH-UHFFFAOYSA-N 375.428 2.673 0 40 GFAB O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc(Cl)c(N2CCNC2=O)c1 95403670 DHCSCUXQDZVGHG-INIZCTEOSA-N 390.915 2.864 0 40 GFAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC1CCS(=O)(=O)CC1 89821268 ULDUMWATLYUEDN-UHFFFAOYSA-N 396.896 2.869 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)c(OC)c2)cc1 409388051 BVIXZVDDZSFRFZ-UHFFFAOYSA-N 392.477 2.573 0 40 GFAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1 409057406 PLQWVFWKJUXVCQ-MKTJXXHISA-O 388.422 2.842 0 40 GFAB CN1CCc2c1nc1ccccc1c2NC(=O)CNCCc1ccc(O)cc1 3143996 MFLDJOWIRNYTMZ-UHFFFAOYSA-N 376.460 2.704 0 40 GFAB biogenic CN(C)CCN1CCC(CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1 523697025 FIIHNGJLNGKNMA-UHFFFAOYSA-N 379.455 2.504 0 40 GFAB CSc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)cc1 71283355 AHLKAQMSOXXSMX-PVAVHDDUSA-N 381.501 2.961 0 40 GFAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 32081389 MTDXHOUIVUCGJG-UHFFFAOYSA-N 390.461 2.852 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)cc1F 32234114 OSCBDBGXYRDYFE-UHFFFAOYSA-N 384.411 2.637 0 40 GFAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@@H]3c3nnc4n3CCCCC4)cc12 40080348 QIGYHWNYFUTNAK-MRXNPFEDSA-N 379.468 2.572 0 40 GFAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccccc2)cc1 49003407 IBMKNQYOXJFPMD-UHFFFAOYSA-N 384.461 2.757 0 40 GFAB COCCn1nc([C@H]2CCCN(C(=O)Nc3ccccc3C)C2)n(C2CC2)c1=O 77151279 PALJYEZZIMDABC-INIZCTEOSA-N 399.495 2.746 0 40 GFAB CCOC1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCCC1 225708864 OZLNNUYQYSZHIL-UHFFFAOYSA-N 390.480 2.602 0 40 GFAB CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)[C@H](c2ccccc2)C1 48236313 KPTHEAMGOZHNTN-MOPGFXCFSA-N 381.476 2.647 0 40 GFAB O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3cccc(F)c3)CC2)O1)N1CCCC1 96243696 ULJUWXWYOCGEKJ-IBGZPJMESA-N 398.482 2.535 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 96239942 ODBWPPYQFCJJSP-UHFFFAOYSA-N 395.503 2.845 0 40 GFAB COc1ccc2cc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cnc2c1 95480525 RTNDLGUOHHSRQA-GFCCVEGCSA-N 375.388 2.548 0 40 GFAB CC(C)CN1CC2(CCN(C(=O)c3cccs3)CC2)[C@]2(CCN(C)C2=O)C1 96144185 WEORRYXFIUWWNS-OAQYLSRUSA-N 389.565 2.791 0 40 GFAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cc(Cl)c3c(c2)OCO3)o1 96114584 JCZQEBHBTUFVNP-LLVKDONJSA-N 396.779 2.569 0 40 GFAB biogenic CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96241973 NGGXDUIUTAGSDE-GOSISDBHSA-N 399.535 2.874 0 40 GFAB COc1ncccc1C(=O)N1CCC(c2c(C(N)=O)sc3ncccc23)CC1 257237238 HFSBCIFKZAHIQS-UHFFFAOYSA-N 396.472 2.819 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC1CCCC1 257272105 NBBVHJMSSHTDAR-QGZVFWFLSA-N 384.524 2.811 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 257266137 MBTGXTVJJMHPPW-GCJKJVERSA-N 396.487 2.972 0 40 GFAB Cc1c(C(=O)N2CCN(C)C3(CCOCC3)CC2)cnn1Cc1ccccc1 1615589490 QILKYEDHUKWVBP-UHFFFAOYSA-N 382.508 2.567 0 40 GFAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)C2CCCCCC2)CCO1 585282542 GHOPQGYVWNOUCY-NRFANRHFSA-N 392.471 2.648 0 40 GFAB O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 585101708 AOKZISPLNXBFRT-CRAIPNDOSA-N 383.414 2.960 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc12 44717748 RDEUPBLGYKABTP-CYBMUJFWSA-N 389.502 2.560 0 40 GFAB O=C1C[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]2CCOc2ncccc2N1 1534646707 PWBKVCRKLKYXKO-IRXDYDNUSA-N 395.459 2.736 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC(C)C)cc2)cc1 5814617 PCJWADOCGHPICA-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 12115739 LISCLQBBPCPLAQ-QGZVFWFLSA-N 377.448 2.824 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)C[C@@H](C)O1 14070780 OSTJCEOILDDHPC-ZIAGYGMSSA-N 392.452 2.876 0 40 GFAB CCOc1ccc(CCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1OCC 15941030 JZPVTBOKFQHVLO-QRWLVFNGSA-N 392.521 2.597 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2cccc(F)c2)C3)C1 19017097 VXOJMAUCIBRQKT-INIZCTEOSA-N 382.439 2.540 0 40 GFAB COc1cccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)c1OC 19567703 GVGVOICTOBITOM-UHFFFAOYSA-N 381.436 2.923 0 40 GFAB CCN(CC)C(=O)CN1CCO[C@@H](c2ccc(Cc3ccc(OC)cc3)cn2)C1 19692884 BWDGLSDBOCKDTI-JOCHJYFZSA-N 397.519 2.923 0 40 GFAB Cc1nn(C)cc1-c1csc(NC(=O)COCc2nc3ccccc3n2C)n1 19716211 REQIOITZCMBEBT-UHFFFAOYSA-N 396.476 2.894 0 40 GFAB CCOc1nc2cc(NC(=O)C3CCN(Cc4nccn4C)CC3)ccc2o1 640380858 CQVILBJSXOJVOP-UHFFFAOYSA-N 383.452 2.811 0 40 GFAB Nc1cc([C@@H]2CCCN(CC3=COCCO3)C2)nc2cc(-c3ccco3)nn12 19342508 ZJQGPTOZLCTZEU-CQSZACIVSA-N 381.436 2.639 0 40 GFAB CN(C)C(=O)Cn1cccc2c(CN3CCSCC3)c(C(F)(F)F)nc1-2 19581297 RUIYMJCLVOMURW-UHFFFAOYSA-N 386.443 2.644 0 40 GFAB O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 19718382 PQNRITACKQDJIP-INIZCTEOSA-N 378.407 2.999 0 40 GFAB COc1ccccc1C(=O)N1CCC(Oc2ncc(-c3cnn(C)c3)cn2)CC1 1889227729 XCIOVJQWAZJXOG-UHFFFAOYSA-N 393.447 2.569 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCCn1cc(-c2ccccc2)cn1 244933082 CAJLDFIYLOWAEH-UHFFFAOYSA-N 375.425 2.676 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4ccncc4)CC3)CC2=O)cc1 245053543 OYZNAMZTARBNTR-QGZVFWFLSA-N 379.460 2.813 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840427 MLMBTCCODWWRPR-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037915907 ACJSQQLATRHFBO-LZJOCLMNSA-N 378.488 2.821 0 40 GFAB CCOC(=O)CSc1nnc(NC(=O)/C=C\c2ccc3c(c2)OCO3)s1 6326383 ZDEIHEYIBXVIFQ-XQRVVYSFSA-N 393.446 2.574 0 40 GFAB Cc1cc(C)c2nc(N(CCN3CCOCC3)C(=O)c3ccnn3C)sc2c1 13655262 DXIYHNOESIHXQU-UHFFFAOYSA-N 399.520 2.626 0 40 GFAB CN1CCN([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccsc2)CC1 22767000 CRAIQKNCWIRPGY-INIZCTEOSA-N 388.493 2.587 0 40 GFAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1C(N)=O 1775972712 RYKMMMFMOJWFHC-GJZGRUSLSA-N 376.478 2.590 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)o1)c1ccc(-n2cccn2)cc1 1775965781 KSNXJACZBUGJRP-INIZCTEOSA-N 399.428 2.737 0 40 GFAB CCOc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19533159 KYMFKYBLOLVDIU-GOSISDBHSA-N 394.519 2.860 0 40 GFAB Cc1cc(C)nc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)n1 49032287 XHKKBGDNYUPJHJ-UHFFFAOYSA-N 383.433 2.952 0 40 GFAB CCN1C[C@H](CCN2CCOCC2=O)C(c2ccccc2)(c2ccccc2)C1=O 5851938 LLCHHQQQMSDZLP-NRFANRHFSA-N 392.499 2.700 0 40 GFAB CCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Cl)c1 20068928 YVMXAEFUDJOHLV-UONOGXRCSA-N 381.889 2.534 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N(C)C)cc2)c1=O 40478488 YGOODMAGLXITCL-UHFFFAOYSA-N 394.475 2.668 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F 31812088 MXBFGIRVUMACIA-KRWDZBQOSA-N 394.834 2.813 0 40 GFAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(CCc2ccccn2)CC1 20738648 WOCQLMHDURPHER-NRFANRHFSA-N 378.476 2.857 0 40 GFAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(CCc2ccccn2)CC1 20738646 WOCQLMHDURPHER-OAQYLSRUSA-N 378.476 2.857 0 40 GFAB CNS(=O)(=O)c1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 29510146 CZUKVOMMCYMIRL-UHFFFAOYSA-N 392.525 2.635 0 40 GFAB Cc1cc(N2CCOCC2)nc(SCC(=O)N2CCCc3ccccc32)n1 2699506 XBHHEQPHPQRAGW-UHFFFAOYSA-N 384.505 2.693 0 40 GFAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC(O)CC2)cc1 21334889 DETDTNFIOGVXJO-UHFFFAOYSA-N 397.475 2.733 0 40 GFAB Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)cc1 4222803 BHRPRBSATWEFGQ-WJFTUGDTSA-N 382.416 2.508 0 40 GFAB biogenic,in-vitro CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(OC)c1OC 4944569 KAXDWECZSLAHQW-LBPRGKRZSA-N 389.477 2.774 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7813755 NVOVPKAFZGWHBA-UHFFFAOYSA-N 377.356 2.859 0 40 GFAB Cc1nn(C[C@H](C)C(=O)Nc2ccc(O)c(C(=O)O)c2)c(C)c1Br 2794664 PRDQMRUUHBFAMD-QMMMGPOBSA-N 396.241 2.941 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2Br)cc1 22525170 RGYRVJPIDLKABE-UHFFFAOYSA-N 397.246 2.892 0 40 GFAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccnc1Cl 22758757 RAXMYYZSOONQHJ-UHFFFAOYSA-N 376.829 2.524 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC(C)(C)C 22248430 IDQHVCBTLNRVAJ-UHFFFAOYSA-N 376.906 2.664 0 40 GFAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)N1CCCc2ccccc21 958509 JCHHQOLUTAGURG-UHFFFAOYSA-N 380.473 2.711 0 40 GFAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc2c(c1)OCCCO2 22782820 IDDWMYMJSITSSY-UHFFFAOYSA-N 387.505 2.666 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)Nc3nc4c(s3)CN(C)CC4)c(C)n2n1 24152595 UBCZRHOQDICDBB-UHFFFAOYSA-N 384.509 2.670 0 40 GFAB Cn1ccnc1CN1CCC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 43269630 ONJQMYGELXJKJB-UHFFFAOYSA-N 395.507 2.507 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1401352 LLOJNLQUVQDNHC-INIZCTEOSA-N 384.379 2.896 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c(C)c1 59876286 FCIBTSSANYJBBT-IBGZPJMESA-N 399.516 2.683 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cccc(F)c2)c(OC)c1 48153149 CDQAHIKUEASNKD-GOSISDBHSA-N 386.423 2.764 0 40 GFAB O=C(NC[C@@H]1CCCO1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 26722137 PRYKLALQOOGLGT-HNNXBMFYSA-N 380.448 2.888 0 40 GFAB Cn1c(SCC(=O)NC(=O)Cc2ccccc2)nnc1-c1ccc(F)cc1 3365936 RVMWMWZVODEBKM-UHFFFAOYSA-N 384.436 2.599 0 40 GFAB O=C1[C@H]2CCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 2183627 NCQGMLSCJCEBNE-GOSISDBHSA-N 390.915 2.669 0 40 GFAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)o1 44902820 PIHGNXPZGMZWFR-UHFFFAOYSA-N 389.415 2.824 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cn2ccc(C)cc2n1)c1ccc(OC)c(OC)c1 10737663 MBADBARUDCDBSM-OAHLLOKOSA-N 397.431 2.694 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c4c(cccc24)CC3)cc1 10850324 PDQOYUDWHPGUJH-UHFFFAOYSA-N 394.496 2.918 0 40 GFAB O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc(-c2ccco2)[nH]c1=O 78976156 YQGKQYXJRCQRHT-UHFFFAOYSA-N 376.372 2.657 0 40 GFAB COc1cccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 10970979 ABIHZJGELAKHDA-CQSZACIVSA-N 381.432 2.531 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)cc1 12846963 DZAXUXRFJJKDJB-MAUKXSAKSA-N 396.443 2.876 0 40 GFAB CCc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)cc1 12986517 BVJGVMYTRVMYEZ-UHFFFAOYSA-N 377.326 2.789 0 40 GFAB COc1ccccc1CCC(=O)N[C@H](CC(=O)O)c1ccc(OC)c(OC)c1 13184142 BSEFLYIRBWFUEZ-MRXNPFEDSA-N 387.432 2.977 0 40 GFAB COc1cccc(NC(=O)CSc2nnnn2CCc2cccs2)c1 8735445 AUYVKRVIRBQNFQ-UHFFFAOYSA-N 375.479 2.717 0 40 GFAB COc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccnc4)C3=O)co2)cc1 79015359 UZJQDXXOIMSCOW-HXUWFJFHSA-N 378.388 2.712 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(C)cc2)c1=O 64604845 PBVJJGVTUMBTRP-UHFFFAOYSA-N 376.416 2.816 0 40 GFAB C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(S(C)(=O)=O)cc1 14123058 BOTOIBZVYRMFEJ-GTNSWQLSSA-N 379.865 2.924 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(NC[C@H]2CCCO2)s1 14241947 OKJXXEYCJCMURM-VXGBXAGGSA-N 396.542 2.599 0 40 GFAB COc1ccccc1[C@H]1C=C(c2ccccc2)Oc2c1c(=O)n(C)c(=O)n2C 5483338 LNDZCSSLAQQMOM-MRXNPFEDSA-N 376.412 2.658 0 40 GFAB COc1ccccc1CN/C(C)=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 6691217 CSQMAFKVGBXZPN-SFQUDFHCSA-N 399.834 2.995 0 40 GFAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6974887 JKGNBTDYBYVGFX-NBUZRDOWSA-N 383.275 2.856 0 40 GFAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)CCC2 7859260 LXSBRXZHDCDJSX-CYBMUJFWSA-N 387.457 2.763 0 40 GFAB CCCCc1nc2ccccc2n1CC(=O)N1CCN(c2ncccn2)CC1 7990127 SILMIVQYTTYRRL-UHFFFAOYSA-N 378.480 2.518 0 40 GFAB O=C(Cc1cccc(Cl)c1)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 69378561 XSXVARJWIILNMZ-UHFFFAOYSA-N 379.807 2.943 0 40 GFAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncn(CCN(C)C)c(=N)c12 9420100 IMYBBBZURMPBCB-UHFFFAOYSA-N 389.301 2.642 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1c[nH]c2ccccc12 9833947 CEEJVWDTUBEWFE-NRFANRHFSA-N 375.384 2.580 0 40 GFAB CCOC(=O)CCN1CCC(NCCCN(C(=O)OC(C)(C)C)C2CC2)CC1 95986444 UKUMUUJJRZSPIZ-UHFFFAOYSA-N 397.560 2.783 0 40 GFAB CC1(C)C[C@H](NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)C(C)(C)O1 95946099 OWPSXEQCAZGZKG-HNNXBMFYSA-N 377.876 2.795 0 40 GFAB Cc1ccccc1S(=O)(=O)NC(=O)COc1cccc(OCC(C)C)c1 89696819 DBJNCKZNDOGUOT-UHFFFAOYSA-N 377.462 2.914 0 40 GFAB CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 89983673 BWGYRCNZIGQPJE-CYBMUJFWSA-N 376.478 2.926 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC(C)C)Oc3cc(C)ccc32)cc1 64985938 NBXJWSRBCAVZSG-LJQANCHMSA-N 388.489 2.784 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1 24361158 ZVZXKMLAUHVKQM-LBPRGKRZSA-N 379.434 2.530 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)N1CCOCC1 408607859 QRKBIOWOQHOHMR-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COCC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccccc3)C(=O)C[C@H]12 306127846 GIWBUVGXFJVOHT-XUZZJYLKSA-N 392.499 2.994 0 40 GFAB CC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 36353852 QFOHYZGMXLDZRU-LBPRGKRZSA-N 376.457 2.962 0 40 GFAB O=C(N1CCCC[C@H]1c1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 524734958 MZHFEOTYUAOTPU-KRWDZBQOSA-N 379.468 2.963 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NC[C@H]1CCCO1 409217858 XQWRSSHSJRXWSU-HRYODUOUSA-N 380.853 2.672 0 40 GFAB CCN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 33624636 WQFYOZXCHPZQAA-UHFFFAOYSA-N 384.860 2.806 0 40 GFAB COc1cccc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3cnc(OC)nc3OC)C2)c1 72343004 VAVFHSYGOBHXAC-NBCNXNJRSA-N 399.491 2.622 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc3c(N)ncnc3n2)cc1 72374626 IVPAQJURZIDQKQ-KRWDZBQOSA-N 399.476 2.532 0 40 GFAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 223705361 MAYBAWNSVJZFDY-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 44035557 UIVTXPCMYRCOMS-UHFFFAOYSA-N 394.349 2.947 0 40 GFAB CCN(CC)c1ccc(-c2noc(CN3CCN(c4ccccn4)CC3)n2)cn1 49409726 HHIWFKIFPIOGPX-UHFFFAOYSA-N 393.495 2.695 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)Cc2ccccc2Cl)cc1 77184821 SRGAFDOAGPQSPN-GOSISDBHSA-N 383.897 2.762 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225813385 COVNOXRCVAQWHE-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(F)c1 225770633 BALRAXAHZQDTEF-UHFFFAOYSA-N 380.441 2.656 0 40 GFAB CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224637745 MMRRCBSPYACFGY-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB COc1ccc(-c2nn([C@H](C)C(=O)NCc3ccc(C)o3)c(=O)cc2OC)cc1 96101090 LWSVEDPHKFLCDP-CQSZACIVSA-N 397.431 2.706 0 40 GFAB O=C(c1cccs1)N1CCC2(CC1)NCCn1c(-c3cccnc3)cnc12 96263366 QJFKQWGUGNKSCU-UHFFFAOYSA-N 379.489 2.741 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)cn2C)cc1C 90606976 ITQSCJKHCPLITQ-UHFFFAOYSA-N 391.518 2.987 0 40 GFAB COc1cnc(-c2nnc(N3CCc4[nH]c5ccc(Cl)cc5c4C3)n2C)cn1 1121343600 UJXXGAFMDMGHEA-UHFFFAOYSA-N 395.854 2.978 0 40 GFAB COc1ccccc1[C@H](CNC(=O)N1CC[C@H](C(=O)O)[C@H](C)C1)N1CCCC1 626744069 BDACCZGYWNHVSN-RYRKJORJSA-N 389.496 2.584 0 40 GFAB CCN1C[C@H](CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)CC1=O 650287436 HVXURNQLFBLRAK-BMLIUANNSA-N 384.263 2.629 0 40 GFAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3cccs3)[C@@H]3OCC[C@@H]32)c1 585109365 MALDEAUCLDYCOJ-FHWLQOOXSA-N 384.501 2.911 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 585291569 ADVUXKRPXQONGZ-JFDDCEBESA-N 392.488 3.491 0 40 GFAB O=C(Cn1cccnc1=O)N[C@H](c1ccc(Br)cc1)C1CCC1 58225762 LIEDUTOCXKKTSZ-INIZCTEOSA-N 376.254 2.663 0 40 GFAB CC1=C(Sc2ccc(Br)cc2)[C@H](N)Nc2nc(N)nc(N)c21 5501398 XXFVLMLYGFYDIP-GFCCVEGCSA-N 379.287 2.637 0 40 GFAB C[C@@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1cccc(Br)c1 5612086 BHFFLYJYELUQRN-CMPLNLGQSA-N 378.338 2.843 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N3CCc4ccccc43)n2)c(C)o1 12183731 BOHYVFVRIDDDNB-ZDUSSCGKSA-N 378.432 2.853 0 40 GFAB C[C@@H](SCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15493623 FJFQSLUECDKUFL-MWLCHTKSSA-N 382.334 2.918 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OC 16681783 IUZYEAXHCPBXEW-HNNXBMFYSA-N 390.505 2.745 0 40 GFAB Cc1nn(CC(=O)NCc2nnc(-c3nccc4ccccc34)o2)c(C)c1C 19556667 QSIMDEKSINHTAX-UHFFFAOYSA-N 376.420 2.723 0 40 GFAB CN1CCC(c2nnc3n2CCN(C(=O)C(C)(C)c2cccc(F)c2)C3)CC1 19711013 CWRCWUPXRYYMHK-UHFFFAOYSA-N 385.487 2.546 0 40 GFAB Cn1nc(C(=O)N2CCCCC[C@@H]3N[C@H](Cc4ccccc4)C[C@@]32C)ccc1=O 19713491 MSDUQLJZXHJATR-RFWXGWTQSA-N 394.519 2.528 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccncc1 7495288 RHMFNUSIZRJHKQ-LDADJPATSA-N 378.432 2.894 0 40 GFAB CN(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573697 JCGDWFQSCFKQDZ-UHFFFAOYSA-N 388.508 2.505 0 40 GFAB CC(C)(C)C(=O)N1CCN(C(=O)c2ccnc(OCC(F)F)c2)C(C)(C)C1 540532152 MTHXRPWWLTXLPB-UHFFFAOYSA-N 383.439 2.835 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(c5ccc(C(F)(F)F)nn5)C[C@@H]4C3)n1)CCC2 1888869539 RLXZJFFLNDMLAD-CHWSQXEVSA-N 390.413 2.655 0 40 GFAB Cc1nc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(C(F)(F)F)n1 1888888498 HUZBQNWYTTYABD-UHFFFAOYSA-N 391.353 2.854 0 40 GFAB COc1ccc(OC)c2sc(N3CCO[C@@H](C(=O)N4CCCCC4)C3)nc12 1888942783 BFILCMTWTMXTAI-OAHLLOKOSA-N 391.493 2.531 0 40 GFAB O=C(COc1ccccc1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840595 OIUPRNOESMABKN-UHFFFAOYSA-N 398.434 2.629 0 40 GFAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(C2CC2)on1 1614946727 OWDGAPOLIGICIZ-LJQANCHMSA-N 378.432 2.841 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373981 JBIHRQITPZDELH-INIZCTEOSA-N 380.423 2.954 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)c3ccccc3Br)CC2=O)c1 5194846 CFPUFHRWJSOHJC-GFCCVEGCSA-N 389.249 2.993 0 40 GFAB COCCNC(=O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 13717032 NLTYTJODQGQSKO-UHFFFAOYSA-N 376.840 2.663 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)N3CCCC3)cs2)cc1 16848570 XWPOLHXERKNAFI-UHFFFAOYSA-N 379.507 2.807 0 40 GFAB COc1cccc2cc(C(=O)N3CCC[C@H](Oc4ccncc4)C3)c(=O)oc12 575614098 WQTZQTIUDUGFQQ-INIZCTEOSA-N 380.400 2.880 0 40 GFAB CC1CCN(C2=NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)N2)CC1 20028176 HDHXTXMZJPSEJC-CYBMUJFWSA-N 383.279 2.908 0 40 GFAB COC(=O)c1cn([C@@H]2CCCC[C@H]2NC(=O)/C=C/c2ccc(C)cc2C)nn1 40152715 CJMWHRMSARWFGI-CIQXKXBYSA-N 382.464 2.995 0 40 GFAB CCCc1c(C(=O)NCc2ccnc(-n3cccn3)c2)[nH]c(C)c1C(=O)OC 40153972 JNJVOHDNMINGOB-UHFFFAOYSA-N 381.436 2.573 0 40 GFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 40113198 DOUISUZXZPCCPF-DNVCBOLYSA-N 394.537 2.700 0 40 GFAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc2c(c1)OCCCO2 40122149 HQWBSTGFWLFKBY-SFHVURJKSA-N 380.444 2.941 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCCOc2cc(C)ccc2C)c1 31646266 DXZKTMSBTPRDLT-UHFFFAOYSA-N 392.521 2.965 0 40 GFAB Nn1cnn2c(SCC(=O)N3c4ccccc4Sc4ccccc43)nnc12 969228 IEWCRZSEIKPNNE-UHFFFAOYSA-N 395.473 2.561 0 40 GFAB CCNC(=S)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 2746896 ACXJGUJLYZIBCV-OAHLLOKOSA-N 391.880 2.962 0 40 GFAB CSCC[C@H](C(=O)Nc1nc(C)cs1)N1C(=O)c2ccccc2C1=O 3562098 NRXHOIRCFMKTCU-CYBMUJFWSA-N 375.475 2.808 0 40 GFAB CCCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073818 YSDIGHFZKNHZIK-FPTDNZKUSA-N 396.491 2.898 0 40 GFAB biogenic CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](C(=O)O)c1ccccc1 4089459 XBRBXJJZKJJNIZ-FCEWJHQRSA-N 396.468 2.977 0 40 GFAB biogenic Cc1ccc(-n2nnc3c(SCC(=O)N4CCC(C)CC4)ncnc32)cc1 4166587 KBZOMNUUNIANKY-UHFFFAOYSA-N 382.493 2.870 0 40 GFAB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O 4689801 IBBSCCLNUFCECC-FPYGCLRLSA-N 392.614 2.929 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 4999873 JRFHGAOWOVTMAL-UHFFFAOYSA-N 391.349 2.841 0 40 GFAB COc1cccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1OC 5842162 OIENMFVFMBJDAY-VAWYXSNFSA-N 390.461 2.606 0 40 GFAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCCC2=O)c1 5920056 VSMCVMYHPHOCNC-KBXCAEBGSA-N 379.478 2.918 0 40 GFAB C[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)NCc1ccco1 6849559 GCASEFIBCYYLCV-CYBMUJFWSA-N 382.372 2.987 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CC1 7814030 VWXZPLKMHLOEAA-IBGZPJMESA-N 379.460 2.972 0 40 GFAB COc1ccc(C)cc1CN(C)CC(=O)Nc1ccccc1C(=O)NC1CC1 8130554 IONOCTGXMDLHGB-UHFFFAOYSA-N 381.476 2.966 0 40 GFAB Cc1nc2ncnn2c(C)c1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8193253 DPMDXVGICGTEBW-UHFFFAOYSA-N 379.420 2.964 0 40 GFAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)no1 8433537 GEVUCECUKFHXTM-UHFFFAOYSA-N 379.800 2.927 0 40 GFAB COc1ccc(-c2cc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)n[nH]2)cc1 8492817 BDBJWIJLOZFIPN-MRXNPFEDSA-N 386.305 2.506 0 40 GFAB COc1ccc(-c2noc(COC(=O)[C@H]3COc4ccccc4O3)n2)cc1OC 8540400 HLVXJIJVPOHMBH-QGZVFWFLSA-N 398.371 2.637 0 40 GFAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 10755504 AXIBYJZQKXAMHD-CYBMUJFWSA-N 380.491 2.796 0 40 GFAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1Cl 11518907 XPWDARWQYYDJEG-UHFFFAOYSA-N 390.852 2.503 0 40 GFAB CCCn1c(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)nc2ccccc21 12145348 KBEYZRKAOMQILK-UHFFFAOYSA-N 392.507 2.688 0 40 GFAB COc1ccccc1/C=C/CN1CCc2nc(-c3cnccn3)nc(O)c2C1 12330122 XOHKZGCUJKVUKP-GQCTYLIASA-N 375.432 2.719 0 40 GFAB COc1ccc(C2=NN(C(=O)[C@@H](O)c3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 12473713 NWHYROFGMCUXAE-FUHWJXTLSA-N 394.349 2.616 0 40 GFAB Cc1cccnc1NC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C 12595008 JRISJGNQXQLHQP-UHFFFAOYSA-N 375.494 2.931 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)c3ccc(CN4CCCC4=O)cc3)ccc21 12797834 ZTGMNWSBUANICF-UHFFFAOYSA-N 377.444 2.970 0 40 GFAB CCC(CC)[C@@H](CNC(=O)CCc1ccc2c(c1)OCO2)N1CCOCC1 13011244 NTRKEVSKXCBYAE-GOSISDBHSA-N 376.497 2.601 0 40 GFAB C[C@@H]1[C@@H]2[C@@H](c3ccc(Br)cc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C 13739035 JKBNGUTWVQJJLM-QZKOUSHUSA-N 395.301 2.815 0 40 GFAB O=C(Nc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 16305550 KPTAOMQVOZJNJR-INIZCTEOSA-N 396.415 2.674 0 40 GFAB CCc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 19522922 OOKXPWCJGBUJIA-NRFANRHFSA-N 380.492 2.979 0 40 GFAB CNc1nc(C2CCN(C[C@@H]3CC=CCC3)CC2)nc2c1CN(C(C)=O)CC2 19711061 MPRJYSVDCLCGQN-QGZVFWFLSA-N 383.540 2.959 0 40 GFAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2S(=O)(=O)c1cn[nH]c1 19713486 UCHBRFBPYCYVDY-HOJAQTOUSA-N 388.537 2.706 0 40 GFAB CN1CCN(CC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)CC1 19881277 XFSKLMQOZIPOGJ-UHFFFAOYSA-N 377.444 2.850 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(CCc2ccccn2)CC1 20718647 KGRSWFXCZKCZEY-FQEVSTJZSA-N 382.439 2.688 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2ccccc2CN(C)C)cc1 22695405 BARBCXDLAPTJOV-GWKQRERASA-N 395.503 2.591 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)n1 23246359 WRGAJYKXXMKTCK-LJQANCHMSA-N 394.475 2.641 0 40 GFAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[nH]c2c1C(=O)CCC2 23744949 NFQHEGAHTDCHLO-HNNXBMFYSA-N 387.505 2.707 0 40 GFAB CC(C)N1C(=O)C(=O)N(CN2CCCC[C@H]2c2nc3ccccc3s2)C1=O 23805843 GAXDBBGHZQYLNT-AWEZNQCLSA-N 386.477 2.980 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 25454113 FFAWIXYIXWBIFW-CYBMUJFWSA-N 396.896 2.992 0 40 GFAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1ccc2oc(=O)[nH]c2c1 31256651 DNBGDFXXJIKYGM-UHFFFAOYSA-N 383.448 2.782 0 40 GFAB COc1cccc(N2CCN(C(=O)CC[C@@H]3Cc4ccccc4NC3=O)CC2)c1 31385873 BOBKORRKZCBVNI-GOSISDBHSA-N 393.487 2.935 0 40 GFAB c1ccc(N2CCN(c3nc(N4CCCCC4)nc4nccnc34)CC2)cc1 32071027 UGQRSEVTVBUWSQ-UHFFFAOYSA-N 375.480 2.737 0 40 GFAB COc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1Br 32601647 FTXKJERLQDBAIC-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N(Cc1ccco1)CC(F)(F)F 32724525 CXFCYKOLIYCETQ-UHFFFAOYSA-N 384.141 2.734 0 40 GFAB Cc1nc2ccccc2nc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 32771202 ICZVBDAYXBCTJU-IAGOWNOFSA-N 381.524 2.565 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1OC[C@@H]1CCCO1 32843335 RTPHVQGEMZANEC-KRWDZBQOSA-N 383.444 2.988 0 40 GFAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1nc2nc(C)cc(C)n2n1 32983431 KDKOIGPLVMXJKM-UHFFFAOYSA-N 397.464 2.905 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1n[nH]c(=O)c2ccccc12 33051783 TYUQSUMOHWVIGO-UHFFFAOYSA-N 397.456 2.892 0 40 GFAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N1CCC[C@@H]1CO 36575791 PUEDFGPBUYVRPB-MRXNPFEDSA-N 379.412 2.822 0 40 GFAB biogenic CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 38853647 LZBNTLNTSNXSFK-INIZCTEOSA-N 382.388 2.521 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)ccc21 45259833 RGVZOEPHBRRAPB-NSHDSACASA-N 387.386 2.821 0 40 GFAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccco1 47080901 PKXSFDXVSYTDAB-VIFPVBQESA-N 377.249 2.570 0 40 GFAB COc1ncccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 47553808 OJJKMBCKGLRAGY-AWEZNQCLSA-N 389.477 2.906 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CSc2ncn[nH]2)cc1 48332075 PONYZWLXUNGECO-OAHLLOKOSA-N 382.445 2.667 0 40 GFAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)CCc3c(C)nn(C)c3C)nc21 49026471 LMSAYPBLLQQJLO-CYBMUJFWSA-N 376.482 2.658 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CCCOc3ccc(F)cc32)no1 53369071 UHWDYPYNEABYGM-CQSZACIVSA-N 393.440 2.824 0 40 GFAB O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCN1Cc1ccccc1 57175681 XBKRIWTUJBJPBY-JOCHJYFZSA-N 378.520 2.827 0 40 GFAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)cc1C 57491048 GWBXSPDZFDMITA-UHFFFAOYSA-N 397.500 2.890 0 40 GFAB CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670439 KJYWNIJDMWPQEF-UXHICEINSA-N 384.528 2.906 0 40 GFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCOc3ccccc32)c1 57673274 QMBPFJONGZUHTR-HNNXBMFYSA-N 380.853 2.502 0 40 GFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)C1 60360697 OYOIEFWEPOFFMN-INIZCTEOSA-N 388.508 2.890 0 40 GFAB CCN(CC)C(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C 64986876 RXSJJSPATKOVOO-UHFFFAOYSA-N 376.482 2.604 0 40 GFAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O 64987578 ULGNTFNGHKYKPK-UHFFFAOYSA-N 396.422 2.856 0 40 GFAB CC(C)(C)c1noc(CSc2nncn2Cc2nc(C(C)(C)C)no2)n1 69391063 SBINPCMEBHALLU-UHFFFAOYSA-N 377.474 2.980 0 40 GFAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)c(C)c1 71327400 MJTSPSRCYQBMHH-UHFFFAOYSA-N 395.438 2.911 0 40 GFAB CCN(CC)C(=O)N1CCC2(CC1)C(=O)N(CC)C(=O)[C@@H]2c1ccc(F)cc1 72346451 VWEVKDPGYZXSRI-KRWDZBQOSA-N 389.471 2.842 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ccc3c(N)ncnc3n2)cc1 72377339 FHVVQFNRABWLQT-SFHVURJKSA-N 377.448 2.912 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)cc1F 77100825 HDMBOJWDZWFQOR-MRXNPFEDSA-N 396.422 2.889 0 40 GFAB CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1F 79074570 BQUHYWMRLKLMTH-UHFFFAOYSA-N 383.372 2.782 0 40 GFAB CCN1CCc2nc(NC(=O)CN3CCCc4sccc4C3=O)sc2C1 84789417 YCUIGWVTDJPKAM-UHFFFAOYSA-N 390.534 2.610 0 40 GFAB CC(C)c1nc2cc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)ccc2[nH]1 95474681 XATHTHPRZYQNHM-GFCCVEGCSA-N 376.420 2.991 0 40 GFAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)CSc1cn[nH]n1 95482038 LXKUUXYRPYBNCC-UHFFFAOYSA-N 399.398 2.944 0 40 GFAB Cn1nc(CNc2ncccn2)c2c1CN(C(=O)c1ccc(Cl)cc1)CC2 96255914 LQPIFZUSRQGSGE-UHFFFAOYSA-N 382.855 2.674 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(C3=CC(=O)OC3)CC[C@]12O 98023162 PBAPWFMQSGITBY-IKVCRZIASA-N 390.520 2.719 0 40 GFAB Cc1nnc(S/C(=C\c2ccc(I)o2)C(=O)O)o1 211544734 CRBRNKXRDKJIEU-DAXSKMNVSA-N 378.147 2.793 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 223548514 ODVKVIBQPAEQGZ-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223556549 IPJYCFPPHLTUKZ-SECBINFHSA-N 388.902 2.911 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2ccc(O[C@H]3CCSC3)nc2)n1 225716785 VWRFYTVNRNEICI-NSHDSACASA-N 379.463 2.851 0 40 GFAB O=C(Cc1ccccn1)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257319027 VQJMXYQXCFKTPS-LJQANCHMSA-N 375.432 2.758 0 40 GFAB CNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 257326493 WXJUBGPLXLBXKU-OXJNMPFZSA-N 392.503 2.697 0 40 GFAB CC(C)n1cnc([C@@H]2CN(C(=O)N3CCCC3)C[C@]23CCN(CC2CC2)C3=O)c1 306122956 AAMLPBLTZGLBNU-PGRDOPGGSA-N 399.539 2.708 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 408602341 DANBJRXKIYTWLY-STQMWFEESA-N 396.896 2.893 0 40 GFAB OCC1(O)CN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)C1 563423294 DUNUWEYJJWWFDW-UHFFFAOYSA-N 395.150 2.699 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C 575424020 RGTMUHGCWIAZHS-GOSISDBHSA-N 393.530 2.994 0 40 GFAB O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCC[C@H](Oc2ccncc2)C1 575613531 RPUOHBLLHNDBJS-INIZCTEOSA-N 392.415 2.884 0 40 GFAB CN1c2cc(F)c(NC(=O)c3ccc(Cl)s3)cc2N(C)S1(=O)=O 575613938 YPOMWUKLNMANGA-UHFFFAOYSA-N 375.834 2.924 0 40 GFAB CCOc1c(F)cccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1615546593 AIYFLKYYPSLETA-LSDHHAIUSA-N 382.432 2.589 0 40 GFAB O=S(=O)(c1cccc2cccnc12)N1CCC(COc2ncccn2)CC1 1775969790 LETFPBYWGBECCV-UHFFFAOYSA-N 384.461 2.505 0 40 GFAB O=C(CCc1ccccc1Br)NCC1(N2CCOCC2)CCC1 1888856574 YDAQYALXYIAYKW-UHFFFAOYSA-N 381.314 2.753 0 40 GFAB COc1nc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)ncc1Br 2086951531 FYVZTKUGHINWRX-LLVKDONJSA-N 385.306 2.721 0 40 GFAB C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(F)c(F)c1 18016555 RRLLURYHOUNOMI-QMMMGPOBSA-N 387.180 2.928 0 40 GFAB CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1 2671179 DRNUTZOHVKQJTM-UHFFFAOYSA-N 398.535 2.687 0 40 GFAB Cc1ccnc2nc(C(=O)OCc3csc(COc4ccc(F)cc4)n3)nn12 32774338 BYGZZUXDDUHCKN-UHFFFAOYSA-N 399.407 2.964 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 4023918 SHIBSTMRCDJXLN-KDBDTJIGSA-N 390.520 2.575 0 40 GFAB biogenic Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccccc1Cl 4852485 CQIGEEFVTPOYRD-UHFFFAOYSA-N 385.811 2.586 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146911 FJDLISLMTRJPPZ-AWEZNQCLSA-N 378.425 2.535 0 40 GFAB CCn1c(CN2CCc3ccccc3C2)nc2cc(S(=O)(=O)N(C)C)ccc21 6579999 QMQGDFVHVQCDQA-UHFFFAOYSA-N 398.532 2.865 0 40 GFAB CCOc1ccc(OCCNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 18112886 ZOZKHODKFHCMEP-UHFFFAOYSA-N 396.443 2.543 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccccc1 10679556 PDTVNIAVRNPLLH-UHFFFAOYSA-N 378.881 2.923 0 40 GFAB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379636 VUGZTTFRYYXQHW-UHFFFAOYSA-N 380.469 2.987 0 40 GFAB O=C1COc2cc(C(=O)OCc3cc(Cl)cc4c3OCOC4)ccc2N1 22259384 KNEBTCZHWZSMBZ-UHFFFAOYSA-N 375.764 2.894 0 40 GFAB COC(=O)[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1Br 677192 LVUICMAWLVPJIY-NSHDSACASA-N 376.634 2.645 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 20016328 CPFKWWABKUYCII-ZDUSSCGKSA-N 380.441 2.838 0 40 GFAB COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2noc(C(C)(C)C)n2)CC1 69928408 CTWBNWHTNWMLRC-QGZVFWFLSA-N 392.544 2.997 0 40 GFAB COc1cc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc(OC)c1 23396498 HACQJQBNHVNGHK-UHFFFAOYSA-N 376.796 2.721 0 40 GFAB Cc1ccc(OCC2(O)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1390146 SCHLXJPUXRPVFV-UHFFFAOYSA-N 375.490 2.898 0 40 GFAB CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870650 FLRJTOKONVUKIQ-UHFFFAOYSA-N 390.461 2.712 0 40 GFAB CC1CCN(C(=O)[C@H](C)n2nnc(-c3ccc(Br)cc3)n2)CC1 57485093 JIOKEKILVCMKHF-LBPRGKRZSA-N 378.274 2.922 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCN(CC2CCCCC2)CC1 57994505 BJAZBJKZZZIYEX-UHFFFAOYSA-N 397.519 2.787 0 40 GFAB CCOC(=O)[C@@](NC(=O)NCc1ccccc1Cl)(OCC)C(F)(F)F 2050554 ZHUNMISXQXCDOT-CQSZACIVSA-N 382.766 2.997 0 40 GFAB COc1ccc(CCC(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)cc1 36089962 AHJLFPFQYKCMJV-IBGZPJMESA-N 387.549 2.794 0 40 GFAB CSCCCCNC(=O)Nc1ccccc1OCCN1CCN(C)CC1 77460475 IMXXIKQHJJCHRP-UHFFFAOYSA-N 380.558 2.578 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)c2ccc3ccccc3n2)cc1OC 3375867 XZDSSDRZWVUXPI-UHFFFAOYSA-N 394.427 2.768 0 40 GFAB Cc1cc(N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)ccc1N1CCCC1=O 10748257 OBBKAZOMNZDPJO-OAHLLOKOSA-N 392.459 2.908 0 40 GFAB CC(=O)N(c1ccccc1)c1nc(Cn2nnn(-c3cccs3)c2=O)cs1 10885659 UDINWCGUOQXKBR-UHFFFAOYSA-N 398.473 2.680 0 40 GFAB CSc1ncc(Cl)c(C(=O)NCCNc2ncnc3sccc23)n1 45833586 ODZMHHHMJXWFLK-UHFFFAOYSA-N 380.886 2.699 0 40 GFAB COC(=O)c1c(SC)nn(-c2cc(Nc3c(F)cccc3F)ncn2)c1N 8715304 RPMAPDPSIKXAAH-UHFFFAOYSA-N 392.391 2.775 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccs2)c1 8743666 JRUAETXRAWROSP-INIZCTEOSA-N 398.448 2.679 0 40 GFAB O=C(C[C@@H]1NC(NCc2ccco2)=NC1=O)Nc1ccc(Cl)cc1Cl 13686309 DTPXJAKQMSEQBT-ZDUSSCGKSA-N 381.219 2.559 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2C)c1=O 64604843 QNIZQOSBNBBEQJ-UHFFFAOYSA-N 376.416 2.816 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 64988490 VFCYTGJFFRQIGL-SFHVURJKSA-N 390.461 2.559 0 40 GFAB Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3Oc3ccccc3)cnc21 14020025 DKDMVZBBBWJIDM-UHFFFAOYSA-N 375.388 2.561 0 40 GFAB O=C(NC1CCCCC1)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 65914287 HMWYCYXOFAZIEW-UHFFFAOYSA-N 381.476 2.829 0 40 GFAB COc1ccccc1CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 24706666 MHRCBJLWMLKHOU-AWEZNQCLSA-N 379.420 2.668 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cccn2)cc1 6648175 WGHGNYKZHFWTMU-UHFFFAOYSA-N 396.472 2.909 0 40 GFAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 6660914 YGNDMVQPGRLYGA-HNDQUVLASA-N 392.452 2.626 0 40 GFAB COc1ccc(C2=NC(C)(C)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1 71327810 WVVJNUVRHBKXSZ-UHFFFAOYSA-N 379.460 2.687 0 40 GFAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@H]2c1ccccc1F 9202043 VIDZESBALIQYSM-INIZCTEOSA-N 379.330 2.809 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)NCCCN(C)c2ccccc2)cc1 7228404 KTYYYGPCEBCSMA-UHFFFAOYSA-N 396.520 2.706 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CC)CC2)cc1C 408556380 IDHPMOSTWPKABT-OAHLLOKOSA-N 382.526 2.709 0 40 GFAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7777412 NLEMWAVKMVISDD-QGZVFWFLSA-N 378.432 2.956 0 40 GFAB COc1cccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1 7716534 DNTYKDHCBMIEIA-RTBURBONSA-N 390.443 2.620 0 40 GFAB O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)NCc1ccccc1 8345878 VUEHZIDJFJGSHM-QGZVFWFLSA-N 392.436 2.888 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)N1CCCC1 8560374 FOZCGECAUYUGRE-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 9744843 BCBRDRIMGWGMGX-OAHLLOKOSA-N 395.459 2.646 0 40 GFAB COC(=O)C[C@H](c1ccc(OC)c(OC(C)C)c1)c1c(O)cc(C)[nH]c1=O 72403141 PJAAHOORYPBWFL-CQSZACIVSA-N 375.421 2.880 0 40 GFAB O=C(CNc1nc(Cl)nc2[nH]cnc12)Nc1nnc(C2CCCCC2)s1 72401023 XKHOZHMEZVZHEL-UHFFFAOYSA-N 392.876 2.956 0 40 GFAB Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ncc(F)cn4)CC3)s2)o1 95940128 WIEBHSWWWRZFNS-UHFFFAOYSA-N 387.440 2.911 0 40 GFAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc(C(F)(F)F)cc1 33435719 MCHFBOWIQTZUNS-KGLIPLIRSA-N 391.393 2.925 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2ccccn2)Oc2ccccc21 72339076 RZRXQZIPABIJGK-CABRAYNUSA-N 377.444 2.653 0 40 GFAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)N(CC)CC)c12 39556353 ZGJFYUMNQXBZHP-BOPFTXTBSA-N 398.532 2.760 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 32981973 UISRVQWINUUZSE-INIZCTEOSA-N 390.505 2.798 0 40 GFAB CC(=O)CCc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc3c2=O)cc1 31560786 BUPTYWUCHSADRM-GOSISDBHSA-N 380.444 2.666 0 40 GFAB C[C@H]1CN(c2nc(O)c3c(n2)CN(C[C@@H](C)c2ccccc2)CC3)C[C@H](C)O1 72335496 FABMBFBEXQWRLX-IKGGRYGDSA-N 382.508 2.958 0 40 GFAB COc1ccc([C@@H](CC(=O)NCc2c[nH]nc2C)c2oc(C)cc(=O)c2O)cc1 1547138961 XINXXRZZHDSJFN-QGZVFWFLSA-N 397.431 2.532 0 40 GFAB biogenic COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 31075439 VBNIOGMKZUVGAX-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)n1 79494860 RKOIPWRHZSPIAJ-OAQYLSRUSA-N 393.535 2.654 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c(Br)c1 49404587 HQDIWFUKCAXUNA-UHFFFAOYSA-N 376.254 2.832 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cc(C)cc(C)c2)NS(C)(=O)=O)cc1 225955371 OITHPQDBKFQKSD-SFHVURJKSA-N 376.478 2.931 0 40 GFAB COC(=O)CC[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 138635145 HBLHIKXVNJAQQJ-LLVKDONJSA-N 375.418 2.653 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl 222811555 DXHGFPOROJZKPV-CQSZACIVSA-N 390.867 2.891 0 40 GFAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220698943 DCAFQPFVYPPMOP-AWEZNQCLSA-N 382.395 2.604 0 40 GFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220463824 UMTMLVDJAPTHDW-AWEZNQCLSA-N 394.468 2.647 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)ccc1OC 223876893 IHPUSWIYIBWFRJ-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB O=C(c1cccc(Cl)c1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240874 FOPKMYSXTZBWNW-KRWDZBQOSA-N 376.884 2.831 0 40 GFAB N[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495744 GPGFIWGTIGBEPS-IIAWOOMASA-N 386.256 2.715 0 40 GFAB Cc1cccc(-n2ncc(C(=O)N[C@]3(CO)COc4ccccc4C3)c2C)c1 529823519 SQXTYOWDRUMIIL-JOCHJYFZSA-N 377.444 2.585 0 40 GFAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1 257288898 PWDHTIMMFYPRMM-IBGZPJMESA-N 394.519 2.751 0 40 GFAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)c1 256047609 NJJOXMXIOVDFIL-UHFFFAOYSA-N 391.475 2.905 0 40 GFAB Nc1ccccc1S(=O)(=O)N(C1CCCCC1)S(=O)(=O)c1ccccc1 255189571 QUAOEFUHFSIRJW-UHFFFAOYSA-N 394.518 2.981 0 40 GFAB CO[C@]1(CO)CCCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1 617792856 HVWCXQZPTNYTME-JOCHJYFZSA-N 379.460 2.947 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCc4cccnc4)CS3)C2)cc1 575405661 ZGPXQJPVHFNKTB-QGZVFWFLSA-N 390.530 2.855 0 40 GFAB CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 585270293 SWNOMQMBBSDXHO-HXUWFJFHSA-N 398.494 2.770 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@H](O)c1ccc(F)c(F)c1 43830238 WUDPVASKDLEOLO-MRXNPFEDSA-N 384.404 2.532 0 40 GFAB Cc1ncsc1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160523 ZQIMCBFPESDDEM-LJQANCHMSA-N 375.469 2.989 0 40 GFAB CCn1nc(C)c(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1C 1615160471 RJXOKBJAOOXYJL-QFIPXVFZSA-N 396.491 2.558 0 40 GFAB O=C1CC2(CCN(Cc3ccncc3)CC2)n2nccc2N1Cc1ccncc1 1772596432 HLFFXFHRDXRQKR-UHFFFAOYSA-N 388.475 2.601 0 40 GFAB C[C@@]1(N2C(=O)O[C@@H](c3ccccc3)C2=O)C(=O)N2CCS[C@@]21c1ccccc1 5014799 QCLLWNBOOXMMAP-ZLGUVYLKSA-N 394.452 2.907 0 40 GFAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CN2CCSC2=O)cc1 5323396 CXSMUTZLEPQDHT-UHFFFAOYSA-N 378.450 2.566 0 40 GFAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@@H]3C[C@@H]3C)n2)c1 5693714 VFGVXIMAJIKNMG-CMPLNLGQSA-N 376.434 2.965 0 40 GFAB COCCN(Cc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12925433 AUCAJVZRWFZTGO-UHFFFAOYSA-N 377.444 2.632 0 40 GFAB O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13569416 CBVMVGARFSWDMV-HNNXBMFYSA-N 398.898 2.972 0 40 GFAB Cc1cccnc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 14164679 IRLGUEOLMRBFSC-AWEZNQCLSA-N 394.460 2.796 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 16400287 JGCUOTSWLFSAEI-GOSISDBHSA-N 391.811 2.656 0 40 GFAB COc1ccc(N2C(=O)CS[C@@]23C(=O)N2CCCc4cccc3c42)cc1OC 17081022 BXQFMGFAUAHKKR-NRFANRHFSA-N 396.468 2.929 0 40 GFAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CCOC2)C1)c1ccccn1 19400510 KURHUPKLZRHODK-BBTUJRGHSA-N 380.492 2.696 0 40 GFAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406831 HLDQBCFPGWKEDS-GUDUHZBBSA-N 379.455 2.943 0 40 GFAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cc1cccnc1 19583467 SAMVRKHGVVPTTK-UHFFFAOYSA-N 381.455 2.505 0 40 GFAB CCc1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)on1 100145836 UIJNYWYSMOQDHD-IRXDYDNUSA-N 380.448 2.785 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 12158112 BKVARSRXGSVFDA-UONOGXRCSA-N 378.523 2.946 0 40 GFAB COCC1(C2CCC2)CN(C(=O)N[C@H](C)c2ncc(Br)cn2)C1 664954989 JPLGFWJNEUDVAV-LLVKDONJSA-N 383.290 2.758 0 40 GFAB Cc1nc2ccc(C(=O)N3CCN(CCOc4ccc(F)cc4)CC3)cc2[nH]1 19576706 UAKIFZMDOZHZGO-UHFFFAOYSA-N 382.439 2.847 0 40 GFAB COc1ccc(CCS(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1 23127629 WAYKDBDKHQJYRP-UHFFFAOYSA-N 380.554 2.812 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccc(F)cc2)c(C)c1 5413904 MRDINZBRNZLZKN-UHFFFAOYSA-N 385.468 2.869 0 40 GFAB CCc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(COC)nn2)C3)s1 1888875616 UBRNQTXZZSMSJS-KBPBESRZSA-N 396.538 2.605 0 40 GFAB O=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)c(F)c1 9570931 SUPYWYVBEIMFOP-UHFFFAOYSA-N 379.370 2.953 0 40 GFAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccsc2)C1 2055751104 IJBYEUXBAVQEEJ-HXUWFJFHSA-N 387.505 2.598 0 40 GFAB Cc1c(C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)cnn1-c1ccccc1 49031259 OFKPUZXCIZEIHH-IBGZPJMESA-N 396.516 2.734 0 40 GFAB COC(=O)c1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCCO4)cc1 12080599 CILCOGPZVPLXJO-FMQUCBEESA-N 384.413 2.539 0 40 GFAB COC(=O)C1CCN([C@@H](c2cccs2)c2sc3ncnn3c2O)CC1 22610142 GUMYVNKPVFQRHW-LBPRGKRZSA-N 378.479 2.532 0 40 GFAB CCOc1cc2c(cc1CNC(=O)CNC(=O)c1cccc(F)c1)O[C@H](C)C2 24646385 SNYUTONPOVNLNR-CYBMUJFWSA-N 386.423 2.594 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]c2c1 20565902 QQCSDPQIXIJCHZ-UHFFFAOYSA-N 393.443 2.863 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20565906 DMDCLRFIYHUMCD-UJKGCTCZSA-N 389.883 2.517 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(N2CCNC2=O)CC1 51449893 IVPZAELTOXFLLW-LJQANCHMSA-N 389.540 2.522 0 40 GFAB COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)cc1 870446 ZGZTWXZEAWPHLS-UHFFFAOYSA-N 387.440 2.605 0 40 GFAB c1ccc2c(c1)CCCN2c1nc(N2CCCCC2)nc(N2CCOCC2)n1 1026848 SQDDMOKWHZQKHL-UHFFFAOYSA-N 380.496 2.783 0 40 GFAB COCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 3567148 UCWYJZJNAZSPJJ-UHFFFAOYSA-N 397.504 2.801 0 40 GFAB COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 4479827 JMCOLXIHKJTEDY-AWEZNQCLSA-N 385.420 2.639 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 4835750 VFSRPMLPLSACKA-LLVKDONJSA-N 387.490 2.932 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885340 NKPHVJAVUYSGSZ-MSQSPTIYSA-N 396.418 2.516 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)NC1CCCC1 32910126 ADLPSKWLFQWGEJ-SUMWQHHRSA-N 378.444 2.571 0 40 GFAB COc1cc(NC(=O)Cn2c(=O)c3ccccc3n3nc(C)cc23)cc(OC)c1 32909153 DQJVBPIEBRGGQR-UHFFFAOYSA-N 392.415 2.614 0 40 GFAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 7232388 WVDIUCIKTINJFY-HOCLYGCPSA-N 384.407 2.917 0 40 GFAB COc1ccc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1F 7508266 NUAUVIGPNJRRSD-UHFFFAOYSA-N 380.393 2.586 0 40 GFAB CC(C)n1ncc2cc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)cnc21 12167606 UIBDBZHCZWXKTO-UHFFFAOYSA-N 399.476 2.705 0 40 GFAB COc1cc(C(=O)OCCn2c(C)nc3ccccc3c2=O)cc(OC)c1OC 22469444 PBQSJPFRQGGODZ-UHFFFAOYSA-N 398.415 2.588 0 40 GFAB biogenic CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3CN(C)C)CC2=O)cc1 22518459 SGLOMXBZFSORIX-LJQANCHMSA-N 395.503 2.816 0 40 GFAB O=C(Nc1ccccc1C(=O)NCc1nnc2ccccn12)c1cccs1 22833767 UFRSQWAPHHJUQE-UHFFFAOYSA-N 377.429 2.973 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2OC)cc1 47367475 PDKIEISJGXWBSM-UHFFFAOYSA-N 398.506 2.527 0 40 GFAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCCC2)cc1 871751 ZGYASBPMOYTEDQ-UHFFFAOYSA-N 386.517 2.851 0 40 GFAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)cc1 23144468 LPEDGCQKVCWXDP-UHFFFAOYSA-N 399.490 2.607 0 40 GFAB CCCOC(=O)c1ccc([C@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533875 DDVOFGNAPQCJLY-KRWDZBQOSA-N 388.265 2.858 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)cc2)n1 12521638 XENTZJUYLZZEKR-UHFFFAOYSA-N 394.884 2.776 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2C1=O 24018289 ZBIFZSQHQHZVPA-UHFFFAOYSA-N 378.428 2.912 0 40 GFAB CC(=O)N1CCCN(C(=O)CCCOc2ccccc2Br)CC1 47934590 GSQPLIULPOBPPW-UHFFFAOYSA-N 383.286 2.689 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 20493744 HHSUQTBNEMZKGA-UHFFFAOYSA-N 382.825 2.735 0 40 GFAB CCN(C(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O)c1ccccc1 57507252 MUWCXYBMICLBOE-UHFFFAOYSA-N 388.431 2.688 0 40 GFAB O=C1NC2=C(C(=O)N(Cc3ccccn3)C2)[C@H](c2ccccc2C(F)(F)F)N1 57531469 YSFQWKMQAWSCAH-INIZCTEOSA-N 388.349 2.751 0 40 GFAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccccc1-n1cccn1 44523494 INXVHKRATNWDAL-UHFFFAOYSA-N 390.443 2.526 0 40 GFAB COc1ccc(CNS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)cc1OC 101018460 ZWRXMUKUJAIOEJ-IFXJQAMLSA-N 381.494 2.519 0 40 GFAB O=C(NCc1ccccc1-n1cccn1)C1CCN(C(=O)c2ccoc2)CC1 58004932 ITMBPUVDQPAVTC-UHFFFAOYSA-N 378.432 2.634 0 40 GFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(C(F)F)s1 58162556 JJSWADBHMBEVQK-LBPRGKRZSA-N 379.392 2.643 0 40 GFAB Cc1ccc(C)c(C(=O)CCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 23078919 PSHAFVKHPNISPK-UHFFFAOYSA-N 395.415 2.618 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCOC2=O)cc1 58209444 JPRQWEZCZZIUDG-HNNXBMFYSA-N 375.425 2.981 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1nc2ccccc2[nH]1 36390627 JFRISVZBOSRIPF-UHFFFAOYSA-N 398.220 2.674 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(F)cc1 2373540 FPFKDBWEYGVUPU-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB Cc1ccc(C)c(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 3432708 POGBSCOVLITMTB-UHFFFAOYSA-N 381.476 2.851 0 40 GFAB COCCc1ccc(OS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 12969139 DWLWVFTXLRHTPF-AWEZNQCLSA-N 389.473 2.941 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccc2ccccc2c1 12917689 VLYIZCXDSDSKHQ-UHFFFAOYSA-N 382.485 2.949 0 40 GFAB COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 12984576 OPNMLUFXGXPGHD-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB CC(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 12947098 QZBOVLICQPCWSV-OAQYLSRUSA-N 376.460 2.685 0 40 GFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3CC(C)C)cc1 6660305 UPUPJQJJDWHJLF-MRXNPFEDSA-N 397.475 2.832 0 40 GFAB O=C(O)c1csc(S(=O)(=O)N2CCc3cc(Br)ccc32)c1 66306235 JWSGLJOXFLOUGV-UHFFFAOYSA-N 388.264 2.960 0 40 GFAB O=C(NCCCn1ccnc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 4995332 OMEFQENAHDFVIP-NBVRZTHBSA-N 380.473 2.922 0 40 GFAB CC(C)(C)NC(=O)CN1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 15378247 WDEICCUOKXFDHN-UHFFFAOYSA-N 397.972 2.632 0 40 GFAB O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC(c2ccccc2)=N1 7144785 PXDLFGWFJNFIKL-UHFFFAOYSA-N 384.486 2.626 0 40 GFAB COc1cccc(CN(C(=O)/C=C/c2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 15952797 QBBOIBYJFCNZTG-KXPUMZMLSA-N 375.446 2.517 0 40 GFAB CC(C)(C)c1ccc(C(=O)COC(=O)Cn2nc(-c3ccco3)oc2=O)cc1 16198585 HXFJDDADYFUKJN-UHFFFAOYSA-N 384.388 2.820 0 40 GFAB COc1ccc(CNC(=O)COCC(=O)Nc2ccc(C)c(Cl)c2)cc1 9095089 IHKLGRQHHRNBQY-UHFFFAOYSA-N 376.840 2.929 0 40 GFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1 22252595 YSYOXQZCPHRBPF-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB COC(=O)CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCCCC1 78974590 PCZIIUFTXHMFDD-CYBMUJFWSA-N 394.418 2.700 0 40 GFAB CC[C@@](C)(CC(=O)OC)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 79001304 CYRVHEYQUSNFNS-IBGZPJMESA-N 389.477 2.786 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCCC2)cc1OC 408582887 FREADYYOUJGAQS-AWEZNQCLSA-N 398.525 2.600 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 26651821 NCUXUBVFEIKUOE-OAHLLOKOSA-N 394.493 2.871 0 40 GFAB CCCCn1nc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)ccc1=O 21236110 WTBVLSNSBSDDJK-UHFFFAOYSA-N 384.388 2.515 0 40 GFAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 408733567 KEPNROCMMQHFKH-VZAMPYOESA-N 387.741 2.554 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(N2CCC(C)CC2)ncn1 77100917 FSHNHZBJHWGHPX-UHFFFAOYSA-N 398.463 2.942 0 40 GFAB COc1cc2cc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)[nH]c2cc1OC 524730061 UCOFTRGFKQHAMT-QIIPPGSGSA-N 397.475 2.658 0 40 GFAB biogenic O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 216408742 FNUNZOUVXRRSBM-UHFFFAOYSA-N 383.429 2.900 0 40 GFAB CCOc1ccc(CCNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1OCC 125826476 WOFUSJSJQXWQQK-WIYYLYMNSA-N 384.476 2.984 0 40 GFAB COc1ccc(OC[C@@H](C)NC(=O)COc2cc(OC)cc(OC)c2)cc1 218894527 KDHBVSVAZNQMDC-CQSZACIVSA-N 375.421 2.675 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 30869258 VZFCCVAJZNBXPD-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB COc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1OC 225949742 VBVVKJQCEXWZND-IBGZPJMESA-N 390.461 2.641 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3)ccc21 225699150 WICLJPWGGQQTOM-CYBMUJFWSA-N 392.502 2.829 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1 225122577 RJAVGZVPDFZFMD-UHFFFAOYSA-N 378.519 2.688 0 40 GFAB COc1ccc(C(=O)NC2CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224776751 BJTWYABHSIHZKZ-UHFFFAOYSA-N 388.489 2.717 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1 225324240 VXGCZAHHCQKHSU-INIZCTEOSA-N 390.505 2.599 0 40 GFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1CCN(C(=O)N2CCCC2)CC1 40107409 JXRIWLPTCMARRY-UHFFFAOYSA-N 381.379 2.874 0 40 GFAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccccc1 225161675 DTYROMOTJPXXJF-LJQANCHMSA-N 388.489 2.510 0 40 GFAB CCOC(=O)c1c(OCC(=O)Nc2ccc(C)cc2)cc(=O)n2c1CCCC2 98212143 HSUJQWVLLNRUGP-UHFFFAOYSA-N 384.432 2.687 0 40 GFAB CC(C)NC[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 96268993 FRXBYCFMJWNSRC-ILWGZMRPSA-N 387.524 2.756 0 40 GFAB biogenic,in-vitro O=C(COc1ccccc1)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 96112912 QWLVADPBYZXJKY-SFHVURJKSA-N 381.407 2.783 0 40 GFAB biogenic,in-vitro COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3C(=O)CCC(=O)O)O[C@H]21 257260142 LBLYFDXEGNPZSU-QCUYGVNKSA-N 389.448 2.778 0 40 GFAB Nc1cc(-c2cncnc2[C@@H]2CCN(C(=O)CCCc3ccccn3)C2)ccn1 257320659 VXTYQGRDMVQXEM-QGZVFWFLSA-N 388.475 2.855 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)c(C)c1 253471859 GGDDAGMQWVRLKE-SFHVURJKSA-N 393.486 2.873 0 40 GFAB O=C(NCCn1ccnc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 43341375 RIFNTMYBCGZJTR-UHFFFAOYSA-N 383.374 2.560 0 40 GFAB CCN1CCO[C@@H](CNC(=O)NCc2cccc3c2OCO3)[C@@H]1c1ccccc1 660373844 RBZLQPFVLFPSJW-PMACEKPBSA-N 397.475 2.677 0 40 GFAB NCCn1cc(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)nn1 662490001 ZIWLBIVWDMTQNP-UHFFFAOYSA-N 382.295 2.639 0 40 GFAB Cc1nc2n(c1C)CCN(C(=O)[C@@H]1Cc3ccccc3CN1C(=O)CC(C)C)C2 606387085 WKBDZRBOEFXZAD-FQEVSTJZSA-N 394.519 2.842 0 40 GFAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(Cn3cccn3)cc2)C1 626329963 DWTYTFQFBUCSHE-HSALFYBXSA-N 383.496 2.695 0 40 GFAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cn(C[C@@H](O)c2ccco2)nn1 390827200 FOXTXYKKWQBVHK-CYBMUJFWSA-N 382.298 2.756 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575414620 CVBRERAQEYLIBR-QGZVFWFLSA-N 396.896 2.876 0 40 GFAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)n1 585290944 HPDFQKHTVWBLDG-KBOKABMXSA-N 389.463 3.414 0 40 GFAB COc1ccc(NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c(OC)c1 169768617 MPTRWKVNOWUFFQ-UHFFFAOYSA-N 381.436 2.907 0 40 GFAB CN1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C2(CCCCC2)C1 80957466 QBQHFKQDZHIFGA-UHFFFAOYSA-N 377.920 2.821 0 40 GFAB CC(C)(C)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)c1ccnn12 1772596194 UBOCZKLKWKKMRH-UHFFFAOYSA-N 381.480 2.579 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3s2)c1 5034666 IRPIMXCMOUFBKG-UHFFFAOYSA-N 379.488 2.675 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)Oc2ccccc21 12145793 LQVWFXMHUDNVNB-IEBWSBKVSA-N 397.519 2.782 0 40 GFAB CN(Cc1cc(O)nc2ccccc12)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12239275 DAXBQXLSKHSMEJ-UHFFFAOYSA-N 397.456 2.646 0 40 GFAB COc1ncc(-c2nc(N3CCC[C@H](O)C3)ncc2-c2ccsc2)c(OC)n1 12327568 UOMTVSGOBCGDFZ-ZDUSSCGKSA-N 399.476 2.640 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14200809 HTDTZVPBDQCAHW-QGZVFWFLSA-N 391.427 2.531 0 40 GFAB CNc1ncc(CN[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1 19285361 NDMWNTUXHMTMCZ-KRWDZBQOSA-N 384.871 2.637 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)C1 19585788 QVUJKCQDGHPWMF-HDMKZQKVSA-N 398.511 2.801 0 40 GFAB CNc1cc(C(=O)N2CCC(CC(=O)NCCc3ccccc3F)CC2)ccn1 19748523 FTQYPKAVMLYKIK-UHFFFAOYSA-N 398.482 2.864 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2cccnc21 19021697 JFRZJAJPKJFHFN-GOSISDBHSA-N 397.523 2.854 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN([C@@H]2CCSC2)CC1 225573667 MKMCRVZHNJWYFB-QGZVFWFLSA-N 398.594 2.808 0 40 GFAB O=C(O)c1ccccc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 519831692 XJQJYEFYEDSKOO-UHFFFAOYSA-N 394.880 2.545 0 40 GFAB COc1ccc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)c(OC)c1 19576471 GLTIGFFVWFKRGA-KNQAVFIVSA-N 380.444 2.521 0 40 GFAB CN(C)c1ccnc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n1 1889116270 MNMKGMUGHWWSDE-JSGCOSHPSA-N 378.402 2.672 0 40 GFAB Cc1nc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(-n2cccn2)n1 1889149071 SGUAYXWQNSMGIO-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB Brc1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 1889201579 FMKTWNCDYLGVKX-UHFFFAOYSA-N 399.296 2.747 0 40 GFAB CCOC(=O)c1c(NC(=O)N2CCN(c3cnccn3)CC2)sc(C)c1C 24742679 KKOAKYPHGGZRBE-UHFFFAOYSA-N 389.481 2.686 0 40 GFAB COc1ccc(C(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cn1 1776009911 YUCNCROKDLPJKT-UHFFFAOYSA-N 382.342 2.583 0 40 GFAB COC(=O)c1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)cc1 85413023 UNXXQSFSJSRLQN-YJBOKZPZSA-N 380.352 2.646 0 40 GFAB Cc1nc(C(=O)N2C[C@@H]3C[C@@H](COc4cncc(Cl)c4)O[C@@H]3C2)cs1 1565555286 WFXJMOTVOBIBHK-HZUKXOBISA-N 379.869 2.808 0 40 GFAB Cc1c(Cl)cccc1C(=O)N1CC[C@H]2CN(C3CCOCC3)CCO[C@@H]2C1 1565555101 RREBPXBPARFWBK-OXJNMPFZSA-N 392.927 2.990 0 40 GFAB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc2c(c1)OCO2 4377226 YXOPTPODGBCKMX-UHFFFAOYSA-N 384.369 2.670 0 40 GFAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)N1CCCCC1 4583837 XVFZPIZKCPRJNS-UHFFFAOYSA-N 382.460 2.589 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)COc1ccccc1C 5076010 PQKNMEIBFYTUEC-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 21756850 REBHBAVZJBKPNJ-UHFFFAOYSA-N 392.452 2.861 0 40 GFAB Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)n12 49407266 ANRAAGBAAXDVLV-UHFFFAOYSA-N 394.822 2.554 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Oc2ccncc2Cl)C1 575613063 OIXZVXPNOQMKSD-CYBMUJFWSA-N 387.823 2.713 0 40 GFAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCN(C)CC3)c(O)n2n1 22577832 ABUBIVWGBMZGBD-OAHLLOKOSA-N 375.473 2.535 0 40 GFAB COc1ccccc1N1CCC(NC(=O)Nc2cc(C(N)=O)ccc2F)CC1 50057586 SPNWXUFISTYMJY-UHFFFAOYSA-N 386.427 2.724 0 40 GFAB CSCC[C@H](C(=O)NCc1ccccc1F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101404991 MDPUBPNLSOIRQR-YQQAZPJKSA-N 392.496 2.739 0 40 GFAB CC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)Oc2ccccc21 8395131 AODPQNWIEJNQPO-YCRPNKLZSA-N 390.443 2.864 0 40 GFAB O=C(CNCC(=O)Nc1ccc(F)c(F)c1F)Nc1ccc(F)c(F)c1F 2650282 ABHCYGGDCHIELG-UHFFFAOYSA-N 391.271 2.688 0 40 GFAB COc1cc([C@@H](C)c2cc3c(cc2OCCO)OCO3)cc(OC)c1OC 1582327 KCQPASVCUVLGJW-GFCCVEGCSA-N 376.405 2.964 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 1985828 CTBGFVMJAZJBPZ-GOSISDBHSA-N 380.444 2.834 0 40 GFAB CN(C)C(=O)[C@H]1CN(C(=O)C2=Cc3cc(Cl)ccc3OC2)c2ccccc2O1 32823577 OGDMZWAYOJFACC-LJQANCHMSA-N 398.846 2.998 0 40 GFAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 2703847 UZDPCTXDMFUTTL-SFHVURJKSA-N 393.395 2.771 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C(=O)NC(C)C 10008992 IUKCWKKSDONWKJ-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc(C)ccc2OC)Oc2ccccc21 10009133 VDNNJXKVWUDYKY-GOSISDBHSA-N 390.461 2.559 0 40 GFAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)n1 8053809 CIRIPDWIDLOKBE-GFCCVEGCSA-N 376.486 2.777 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 10720905 JZQXNHXYWYOHGX-QPJJXVBHSA-N 385.445 2.674 0 40 GFAB CCN(C[C@H]1CCCO1)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 53440314 LYVJFLMBBIPYDG-CQSZACIVSA-N 377.466 2.867 0 40 GFAB Cc1csc2nc(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc(=O)n12 47539960 BENPJZXYMXUZFS-UHFFFAOYSA-N 378.498 2.554 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(F)c1 58304087 NZDVNXJAPLFVKZ-FQEVSTJZSA-N 384.407 2.517 0 40 GFAB CN1CCN([C@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1 22917664 CLCICEDAPOAWFO-GOSISDBHSA-N 388.606 2.743 0 40 GFAB CCOc1ccc(NCC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)C 12523361 MEOFSFFGYIPKOG-UHFFFAOYSA-N 395.456 2.525 0 40 GFAB CC(=O)N[C@H](CC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 57703377 QEQISOJEMSTYPC-QGZVFWFLSA-N 388.851 2.995 0 40 GFAB C[C@@H](NC(=O)CNc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1 12594897 DYCOQUKATNLUHS-AEFFLSMTSA-N 381.476 2.885 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@@H]1C=C[C@@H]2C12CC2 100201681 SXBUIFRWYXAUGI-XUXIUFHCSA-N 391.208 2.993 0 40 GFAB C[C@H](NC(=O)CN1CCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1F 35436260 PMYVTARBPQDRBV-ZDUSSCGKSA-N 393.459 2.662 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)c1cccc(NC(=O)[C@H]3CCCO3)c1)OCO2 24639120 TYLWASGELJJPBU-QGZVFWFLSA-N 396.399 2.988 0 40 GFAB Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 57682928 PKEYKPDVRJGQNI-SECBINFHSA-N 389.811 2.735 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCC12CC3CC(CC(C3)C1)C2 27079560 XSIMVWVOZSNABF-UHFFFAOYSA-N 395.503 2.803 0 40 GFAB CCOC(=O)CCc1c(C)c2ccc(O[C@H](C)C(=O)OC)c(C)c2oc1=O 2094064 VVDNRLWDLUBTIB-CYBMUJFWSA-N 376.405 2.846 0 40 GFAB biogenic O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)[C@H]2CC[C@@H]1C2 20435756 IPNCPTBPSQGIRF-IHETXDGRSA-N 394.874 2.870 0 40 GFAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 22283157 WSZGOZQHDYHOLK-OAHLLOKOSA-N 389.883 2.964 0 40 GFAB CS[C@H](C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58209570 HTCHDTIKINXIAM-DOMZBBRYSA-N 376.444 2.946 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 10511636 SAQBZHHUSOZEBX-UHFFFAOYSA-N 388.851 2.672 0 40 GFAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccco1 2299303 MSTWTWKKEXEENQ-ZDUSSCGKSA-N 391.431 2.717 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 10833895 KDNUOQSNDQSERK-CQSZACIVSA-N 396.896 2.869 0 40 GFAB O=C(c1cnc2n(c1=O)CCS2)N1CCC(c2c[nH]c3ccccc23)CC1 10884221 PZZLCCQIGTZBDS-UHFFFAOYSA-N 380.473 2.850 0 40 GFAB CCn1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3c(C)noc3n2)n1 36618002 WSRZKBRWUMODCR-UHFFFAOYSA-N 393.451 2.729 0 40 GFAB O=C(Nc1nnc2ccccn12)c1ccc(CNC(=O)c2cccs2)cc1 48342645 NQXPJKSBTZLGIR-UHFFFAOYSA-N 377.429 2.973 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)Nc1ccc(Cl)cc1 12817589 OYZKNMCHXYXDSM-SNVBAGLBSA-N 393.900 2.804 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1OC(F)F)C2=O 3595696 NVAXPLMUTOAMHX-VOJFVSQTSA-N 381.379 2.727 0 40 GFAB CCn1c(SCC(=O)NC(=O)NCCC(C)C)nnc1-c1ccccc1 3501441 RCQVWLRCPRKSMD-UHFFFAOYSA-N 375.498 2.929 0 40 GFAB Cc1ccccc1-n1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O 3514755 SAZOSBBEPZNIRZ-UHFFFAOYSA-N 393.468 2.935 0 40 GFAB NC(=O)COc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 12903240 KDTCEIIPVKPXCI-UHFFFAOYSA-N 394.431 2.547 0 40 GFAB C[C@]12C(=O)N(Cc3ccc(F)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 4029706 KKMLPOKPALJSRV-QFIPXVFZSA-N 377.419 2.949 0 40 GFAB biogenic C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C1 6028210 GKQXIVKWZBPHEN-HOTGVXAUSA-N 388.508 2.762 0 40 GFAB Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)cc1C 5156403 PKVIXEPRALFLIS-UHFFFAOYSA-N 386.429 2.668 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1Cc2ccccc2O1 39994051 CGYCPZZUIBPCRJ-IBGZPJMESA-N 398.440 2.700 0 40 GFAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc1OC 8764394 KYZLEANRAMYUSQ-INIZCTEOSA-N 397.431 2.543 0 40 GFAB biogenic C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 18709282 FHMAGZIKPICZDE-ZDUSSCGKSA-N 395.385 2.524 0 40 GFAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC1=O 7989961 OZMKEYVPTJKCDO-LPHOPBHVSA-N 394.471 2.726 0 40 GFAB O=C([C@@H]1CN(Cc2cc(-c3ccco3)on2)c2ccccc2O1)N1CCOCC1 8230993 JFROEPXMILVTSQ-FQEVSTJZSA-N 395.415 2.561 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1cc(N2CCCS2(=O)=O)ccc1Cl 72312426 MABXRVQOLAEGRW-CZUORRHYSA-N 399.944 2.987 0 40 GFAB O=C(COC(=O)Cc1ccccc1Br)NCCc1ccccc1 72330877 QDGOMZJSJXSPNB-UHFFFAOYSA-N 376.250 2.894 0 40 GFAB CCCOc1ccc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 9431431 KADPBZPDGUAORT-MRXNPFEDSA-N 377.462 2.898 0 40 GFAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCOCC1 408560362 HCAWMIICRRDYCN-UHFFFAOYSA-N 382.489 2.510 0 40 GFAB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 78564565 UWQGERWYPHOZCU-UHFFFAOYSA-N 389.408 2.878 0 40 GFAB CCCn1c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c2ccccc21 9762630 HZLYGKCUXAFZMP-OAHLLOKOSA-N 392.459 2.977 0 40 GFAB Cc1nc(CNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c2ccccn12 95446490 XPVYTGDLWJMSKN-UHFFFAOYSA-N 391.431 2.613 0 40 GFAB CC(=O)NC1(c2noc(CCC(=O)Nc3ccncc3F)n2)CCCCCC1 95975729 RXGSYWAAPUHKFN-UHFFFAOYSA-N 389.431 2.861 0 40 GFAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccccc1)S(C)(=O)=O 408620672 QIGXPYMYLOOBCN-ZIUDEIKKSA-N 376.522 2.926 0 40 GFAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 26101035 BZQNESRCWPOILC-VIFPVBQESA-N 381.255 2.601 0 40 GFAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cc(F)c(F)c(F)c1 36601330 SOJGDDLLFISIKS-CQSZACIVSA-N 377.322 2.573 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CC[C@@](C)(NCC(=O)O)C3)c(C(C)(C)C)n2)cc1 505809679 RHIJFPBVHVODEG-JOCHJYFZSA-N 398.507 2.757 0 40 GFAB CN1C(=O)COc2ccc(NC(=O)COc3ccc(Br)cc3)cc21 32594092 QFEOMNHXXFCYAQ-UHFFFAOYSA-N 391.221 2.822 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@H](c2cc(Cc3ccccc3F)cc(C)n2)C1 72354073 JDFPJPKMDFOUTB-IBGZPJMESA-N 383.467 2.962 0 40 GFAB CC[C@@H](C)CN(C)c1nnc([C@]2(C)Oc3ccccc3NC2=O)n1CCOC 1523493657 CWRSAFZVHVYTJR-VLIAUNLRSA-N 387.484 2.653 0 40 GFAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)NCCn2cccc2)CC1 524734292 QVCWRPOYGFUFBW-IYARVYRRSA-N 378.476 2.821 0 40 GFAB CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(Cl)c1C)CC2 70638411 NAWMRADWSSECEX-UHFFFAOYSA-N 385.898 2.810 0 40 GFAB CCc1ncc(CN2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)cn1 72383429 PNCSJPPTXXEEIP-UHFFFAOYSA-N 390.495 2.817 0 40 GFAB Cc1c(Br)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1C 32647578 GNGBJDPJFHHSLN-UHFFFAOYSA-N 381.249 2.593 0 40 GFAB Cn1c(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)cc2ccccc21 32069988 BFLUDSUVVKDZAN-UHFFFAOYSA-N 385.851 2.757 0 40 GFAB COc1ccc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)cc1 64871662 APTQFJZWDLONCB-UHFFFAOYSA-N 391.431 2.815 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(C(=O)OC)cc1 30848680 WNKQCNKNMVSYHO-UHFFFAOYSA-N 377.418 2.592 0 40 GFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)[nH]c2ccccc12 13682967 YYNKCDVIQHWDQX-LJQANCHMSA-N 389.411 2.524 0 40 GFAB biogenic COc1ccccc1/C=C/C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730914 AHRCNDGCACGVDA-VOTSOKGWSA-N 392.381 2.866 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3C)ccc21 225131844 XQIRDZPABVQSDE-UHFFFAOYSA-N 388.489 2.651 0 40 GFAB O=C(C1CCOCC1)N1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96242484 RFFLDZMRLZNSPF-UHFFFAOYSA-N 398.547 2.968 0 40 GFAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)ccnc12 257299988 RSLDRJGLIGPDBW-INIZCTEOSA-N 399.401 2.735 0 40 GFAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)c4cccs4)C3)ccnc12 257313153 URFFPOZHUUSVMT-ZDUSSCGKSA-N 383.477 2.512 0 40 GFAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(O)nc(N3CCOCC3)nc2N1 585655805 QUFUFNGTJQCGPL-NSHDSACASA-N 395.246 2.800 0 40 GFAB NC(=O)c1sc2ncccc2c1C1CCN(C(=O)CN2CCCCC2)CC1 257263645 LQVKLUWKLKYFRS-UHFFFAOYSA-N 386.521 2.587 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2c(F)cccc2F)co1 96119010 KYAQGPFOZQVQCI-UHFFFAOYSA-N 390.346 2.669 0 40 GFAB O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1nc2ccccc2s1 96119131 XKNTWEJSGHBJSH-UHFFFAOYSA-N 381.417 2.888 0 40 GFAB CCOC(=O)C1=C(COC)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl 390823242 WUKHTBIGBNRVOG-INIZCTEOSA-N 379.840 2.937 0 40 GFAB Cc1cc2c(cc1NC(=O)NCc1ccc(F)cc1)N(C)S(=O)(=O)N2C 575613098 PKLLXDYTLFSUNT-UHFFFAOYSA-N 378.429 2.587 0 40 GFAB O=C(/C=C/CN1CCOCC1)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 585290357 BWCFJJGJCCLDOK-HXRGIAOBSA-N 384.520 2.830 0 40 GFAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)cc4)CC3)[C@H]2C1 585105994 BCPIHPIOBLUGAV-AHRSYUTCSA-N 383.536 2.694 0 40 GFAB O=C(NCc1cccc(CO)c1)c1ccccc1SCC(=O)N1CCCC1 79066902 JHUIGVNEPPXHEW-UHFFFAOYSA-N 384.501 2.823 0 40 GFAB CCc1ccc(NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1 5311812 LZXUXKQASRRIRH-UHFFFAOYSA-N 385.445 2.959 0 40 GFAB CN(C)CCCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O 12117955 NZIYTJBXLNFXSP-UHFFFAOYSA-N 397.523 2.567 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 13848736 LSIZKTPICHGHSI-UHFFFAOYSA-N 388.489 2.969 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC 15638311 NZJKHPHVQJIOLQ-HNNXBMFYSA-N 384.432 2.865 0 40 GFAB Cc1ccc(NC(=O)Nc2nncs2)cc1NC(=O)Nc1nncs1 18995611 HMSATZFGEXXSSD-UHFFFAOYSA-N 376.427 2.986 0 40 GFAB Cn1c([C@@H]2CCCN2Cc2ccnc(N3CCOCC3)n2)nc2ccccc21 19289904 CCJONEMNJPGAPT-IBGZPJMESA-N 378.480 2.537 0 40 GFAB COC(=O)c1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 19592538 SYFJWWIGAKXOES-UHFFFAOYSA-N 390.487 2.953 0 40 GFAB CCn1nc([C@H](C)C(=O)Nc2nc3c(s2)CN(C)CC3)c2ccccc2c1=O 19660568 HSNMZXVWSZNNBG-LBPRGKRZSA-N 397.504 2.603 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCCC[C@H]1c1cc(CN(C)C)n(C)n1 19709161 WYMDZTQBSKLYKY-KRWDZBQOSA-N 386.496 2.866 0 40 GFAB COC1=C[C@]23CC(=O)CC=C2O[C@@H]2C[C@H](C=O)CC(=C23)C(Br)=N1 267324866 FLDMALHFOXCZIM-OGTWGDGJSA-N 378.222 2.819 0 40 GFAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(OC[C@H]2CCCO2)cc1 4988932 BEEWTFUDFBTLLJ-OAQYLSRUSA-N 395.455 2.986 0 40 GFAB CC(C)c1nnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)s1 1888890369 FDKIETADOUEGFK-LBPRGKRZSA-N 385.497 2.882 0 40 GFAB O=C([C@H]1CCc2ccccc2O1)N1CCC(COc2ccc3nccn3n2)CC1 1888909712 ODGNEAWVFWBMLP-LJQANCHMSA-N 392.459 2.741 0 40 GFAB COCCOc1ccc(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cc1 2037983730 DIZWAEPAMDWHDS-JOCHJYFZSA-N 390.524 2.704 0 40 GFAB Cc1csc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)c1 1614929351 YOQZWIGKYNZAAS-AWEZNQCLSA-N 381.461 2.559 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)C1CCCCC1 2503917 ILDBGLZNQQWRIP-INIZCTEOSA-N 387.333 2.837 0 40 GFAB CCOC(=O)[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)C1 4101993 YNDYNCRMHVPMBB-CQSZACIVSA-N 381.436 2.604 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2C)n(C)c1=O 4249505 IEHJQNQSOQSPDH-CQSZACIVSA-N 381.480 2.793 0 40 GFAB COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(C)c(C)c3)c2n1 4518762 TWQZDLNEHZXFLK-UHFFFAOYSA-N 389.415 2.500 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)NC1CCCCC1 5264187 SGUDYZDWHPJERM-UHFFFAOYSA-N 398.532 2.716 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 5438534 CTBFPBQUTLIZLD-UHFFFAOYSA-N 388.489 2.598 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)c1 8954955 NZOZXNZDOLPKJC-UHFFFAOYSA-N 389.502 2.567 0 40 GFAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 10233715 RCLHVBVUYZWABS-LBPRGKRZSA-N 397.454 2.925 0 40 GFAB O=C(NCc1cnc2n1CCN(C(=O)c1cccc(Cl)c1)CC2)C1CCC1 2055772397 FTTBONRBCZOMRI-UHFFFAOYSA-N 386.883 2.651 0 40 GFAB O=S(=O)(NC[C@H](c1ccco1)n1cccn1)c1ccccc1Br 575614397 RMEZYMIUJKVUSG-CYBMUJFWSA-N 396.266 2.807 0 40 GFAB COCc1nsc(N2CCc3nc4ncc(Br)cc4cc3C2)n1 2298127497 AUKQBFSHXHDHMU-UHFFFAOYSA-N 392.282 2.953 0 40 GFAB COc1ccccc1NCCN[C@H](CC(=O)Nc1ccccc1Cl)C(=O)O 5257806 GWUWESDOXHRDMQ-MRXNPFEDSA-N 391.855 2.832 0 40 GFAB COc1ccc(OC)c2sc(N3CCn4c(nnc4C(F)(F)F)C3)nc12 872461940 RPKPYHMBHUPVEF-UHFFFAOYSA-N 385.371 2.944 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 2093508 QRDQSTNEKCZZRI-VOJFVSQTSA-N 375.421 2.658 0 40 GFAB biogenic CCCCn1c(O)c(C(=O)Nc2ccccc2C(N)=O)c(=O)c2ccccc21 6072989 QIDZVSUGAUUEJW-UHFFFAOYSA-N 379.416 2.858 0 40 GFAB CN1CCN(CCCNC(=O)c2n[nH]c3ccccc23)[C@@H](c2ccccc2)C1 30000660 MQQMADDJSTYBLI-HXUWFJFHSA-N 377.492 2.672 0 40 GFAB COc1cc(C)c(NC(=O)c2nc(N3CCOCC3)ncc2Cl)cc1OC 40140557 BEKUMGSXTPQHEF-UHFFFAOYSA-N 392.843 2.545 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 40121558 BMRYXUPMLOPWIU-PBHICJAKSA-N 388.537 2.866 0 40 GFAB O=c1c(NCc2cccc(Cl)c2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101702789 OUCMSAXBIDENEX-UHFFFAOYSA-N 395.890 2.870 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 8302238 KGZYDGGKGXGSIU-UHFFFAOYSA-N 394.537 2.807 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)c(OC)c1 1353689 FCOIQIYXMNYUKA-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB O=C(c1cccs1)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 3999171 SFVFYCKFLFRFTK-ZAJBCWFXSA-N 379.437 2.772 0 40 GFAB biogenic CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6226824 IFLJGOZYUHQSPW-QGZVFWFLSA-N 390.480 2.885 0 40 GFAB COC(=O)c1ccc(NC(=S)N2CCCN(CCc3ccncc3)CC2)cc1 12321844 JZZFIHKHAQVUAX-UHFFFAOYSA-N 398.532 2.815 0 40 GFAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccco1 8106291 PYMNMHRPEDQLNB-UHFFFAOYSA-N 386.477 2.517 0 40 GFAB CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 53175007 AVRNDCUDVMAIIL-IBGZPJMESA-N 390.447 2.571 0 40 GFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nnc(C(C)C)s1 28248766 NZEFUSTXNZIWNK-UHFFFAOYSA-N 384.483 2.819 0 40 GFAB Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3cccc(Cl)c3)C1)CSC2 61721714 XZPCTCLTZKDYMZ-JTQLQIEISA-N 376.869 2.812 0 40 GFAB CC(=O)N1CCCN(Cc2nnc(-c3ccccc3Br)o2)CC1 53457182 YJLJHTUMSAQHCC-UHFFFAOYSA-N 379.258 2.553 0 40 GFAB COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1OC 781769 NQKOETSVQMXDJY-QGZVFWFLSA-N 384.432 2.865 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)ccc21 24982344 HZUICNJYWKQSOC-IBGZPJMESA-N 377.444 2.899 0 40 GFAB CONC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 12630463 SHZPKRPPMFVZHZ-UHFFFAOYSA-N 385.239 2.541 0 40 GFAB O=C1CN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c2ccccc2N1 12685419 DLCKMYLJZHIIHE-UHFFFAOYSA-N 396.406 2.985 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 3370906 KQOAJWPGHNPWNQ-NRFANRHFSA-N 383.423 2.608 0 40 GFAB O=C(Nn1cnc2ccccc21)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12740348 STAFXWUDVKKEKZ-LBPRGKRZSA-N 399.248 2.922 0 40 GFAB Cc1cccn2cc(COc3ccccc3C(=O)N3CCC(C(N)=O)CC3)nc12 12736054 KXKMDUQSZAICNA-UHFFFAOYSA-N 392.459 2.559 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c2c1C 12773931 QUKZVKHUKQZWCM-ZDUSSCGKSA-N 399.472 2.821 0 40 GFAB Cc1cc(NC(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)no1 48354299 IBIZQRKWSINLNL-UHFFFAOYSA-N 382.342 2.992 0 40 GFAB CN1C(=O)c2cccc(NC(=O)CCc3nc(-c4ccccc4)no3)c2C1=O 48340156 SKSISXGEMXRAHQ-UHFFFAOYSA-N 376.372 2.534 0 40 GFAB CCOCCCNC(=O)NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 12930251 VTTNSISIXAFHMG-GOSISDBHSA-N 393.484 2.819 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)s1 12977955 MLVWQKNMKYGQFM-SECBINFHSA-N 395.282 2.855 0 40 GFAB CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 13122425 WKNLRMNROLNHDJ-HOTGVXAUSA-N 387.440 2.935 0 40 GFAB CC(C)(CNC(=O)C1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCO2 69945043 PECMRXXUTWHEIF-UHFFFAOYSA-N 396.491 2.558 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCc2ccccc2C1 14848326 SCBVAZZYAIZSBC-UHFFFAOYSA-N 389.381 2.887 0 40 GFAB CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1 7389719 QJXBMBZNROXCDV-UHFFFAOYSA-N 398.459 2.890 0 40 GFAB COC(=O)C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(OC)c(OC)c1 16105208 IALKMCVBJJIKGR-QGZVFWFLSA-N 397.427 2.900 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)CCOc1ccccc1 7913280 RZJIOHBMUJUSCR-SFHVURJKSA-N 383.492 2.757 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-c2nnco2)cc1 8129914 BJKNYLKNAARPNG-UHFFFAOYSA-N 378.432 2.845 0 40 GFAB O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)N1CCNC1=O 8157290 NREZMIYBTSYYHH-UHFFFAOYSA-N 399.501 2.564 0 40 GFAB O=c1/c(=C/C=C/c2ccccc2)sc2nc([C@@H]3COc4ccccc4O3)nn12 16742073 ZNMQJNXCYXVZBO-VHPHHHTASA-N 389.436 2.876 0 40 GFAB CC(=O)Nc1nc(COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cs1 8280033 HZMYDQXQLVDNAZ-ZDUSSCGKSA-N 377.447 2.648 0 40 GFAB COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1 19890204 JFKLCPUHIHTSTB-IBGZPJMESA-N 397.475 2.968 0 40 GFAB O=C(CSc1nnc(NC2CC2)s1)c1c[nH]c(C(=O)N2CCCC2)c1 9592489 RTPBZEAGYXDCJR-UHFFFAOYSA-N 377.495 2.652 0 40 GFAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 84068169 PHJCFPZLWMIBMP-JCKWVBRZSA-N 385.464 2.714 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)N2CCc3ccc(O)cc3C2)cc1OC 72291830 SFPSRHMCDBWOQL-OAHLLOKOSA-N 384.476 2.515 0 40 GFAB COCCN(C)C[C@H]1CCCN1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 72291964 WSBRVSMVKAYGAI-CTNGQTDRSA-N 379.520 2.682 0 40 GFAB COc1cccc([C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C(C)(C)C)c1 72313238 PNVJWLSGORWVOW-IBGZPJMESA-N 395.459 2.602 0 40 GFAB CNC(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)n1 95972206 ZMJYIZHZGTWAJV-UHFFFAOYSA-N 397.385 2.646 0 40 GFAB CC(C)CN1CCC(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1 95998192 ANXRKKBZAYGGSB-IBGZPJMESA-N 381.524 2.744 0 40 GFAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 409370949 VRAQCZWADIFDPU-OAHLLOKOSA-N 382.526 2.709 0 40 GFAB CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3cnccc3Oc3ccccc3)CC[C@@H]21 556738264 ZVRUVEMSLVLQBO-MSOLQXFVSA-N 380.448 2.891 0 40 GFAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 514696200 HESYDTXOIQACGA-BBRMVZONSA-N 380.414 2.990 0 40 GFAB COc1ccc(-c2csc(NC(=O)CN3CCSC3=O)n2)c(OC)c1 39995417 NTUPHAPPKAHYMK-UHFFFAOYSA-N 379.463 2.935 0 40 GFAB CC(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321239 GYULTKXCXGWHDX-DENIHFKCSA-N 397.475 2.527 0 40 GFAB biogenic,in-vitro O=C(NC1CCCC1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325326 FEYFOBHWGLNYEG-ZDUSSCGKSA-N 379.507 2.644 0 40 GFAB COC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218121332 JIDSSZFALXRQKC-CEXWTWQISA-N 395.908 2.880 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218480629 ABQNVLMROCNAHX-SVFBPWRDSA-N 387.501 2.751 0 40 GFAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)C1 44946698 ZLTMZVPWOAZQAJ-OAHLLOKOSA-N 382.501 2.626 0 40 GFAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)c3ncccc23)c1 223430503 SCZHQAAGLCPIAS-UHFFFAOYSA-N 390.392 2.970 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 223623412 MJECNLTVEUMGSF-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1N1C(=O)CCC1=O 222794717 AEMWKPGAIDUJOH-UHFFFAOYSA-N 388.445 2.766 0 40 GFAB NC(=O)[C@H]1CCCN1C(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 80331523 HEPOQPUNVRVHFF-LJQANCHMSA-N 377.444 2.697 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)cnc12 40118864 LRIWCMQSQHYDJI-IRXDYDNUSA-N 384.524 2.579 0 40 GFAB CCN(CC(=O)O)C1CCN(C(=O)NCC2CCc3ccccc3CC2)CC1 529227396 YUWCNBPWWVSEOA-UHFFFAOYSA-N 387.524 2.762 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(F)cc1F 223049425 KUALPYQJRUNUEC-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB COc1ccc2c3c1O[C@@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 96316382 FNIFBBNFYMIPEZ-PIHUIAAXSA-N 395.499 2.895 0 40 GFAB biogenic,in-vitro Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)Nc1cccc(F)c1 96037561 BETUFLJYSPRXDD-UHFFFAOYSA-N 381.411 2.710 0 40 GFAB Cc1nccc(C(=O)N2CCC(Cc3cc(-c4c(C)noc4C)ncn3)CC2)n1 257288804 PVUGJENMCZZMOZ-UHFFFAOYSA-N 392.463 2.942 0 40 GFAB CN(C)S(=O)(=O)N1CCC(C)(c2ncc(Cc3ccccc3F)o2)CC1 257333388 YBILLDFTPULTQB-UHFFFAOYSA-N 381.473 2.564 0 40 GFAB CCOC(=O)[C@@H](Cc1ccccc1)NC[C@]1(COC)OCCc2ccccc21 589569822 UTEVFMYVABXWLF-FYYLOGMGSA-N 383.488 2.865 0 40 GFAB C[C@H](NC(=O)NCc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1F 654563557 LGNNPWWLXFNPMM-VIFPVBQESA-N 399.268 2.890 0 40 GFAB COc1ccc2nc(C(=O)NCC3CCN(C4CCOCC4)CC3)ccc2c1 617114323 PPXDPOCMGPUIBS-UHFFFAOYSA-N 383.492 2.864 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1csc(-n2cccn2)n1 90703330 VRNFQMQBQPIKNC-UHFFFAOYSA-N 384.490 2.857 0 40 GFAB CCCOc1ccc(CCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1 96122079 ZPDDPVGAQJYTJY-UHFFFAOYSA-N 391.489 2.827 0 40 GFAB Cc1nc(C)c(C(=O)N2CCc3ncc(-c4cnn(C(F)F)c4)n3CC2)s1 585111229 KKJFGSNVGOZWEI-UHFFFAOYSA-N 392.435 2.914 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)Nc1cccc(Oc2ncccn2)c1 48290641 OVDJDMBXJZOMHK-UHFFFAOYSA-N 388.391 2.566 0 40 GFAB CCCCn1c(=O)c2c(nc3n(-c4cccc(C)c4C)c(C)cn23)n(C)c1=O 5251763 YYFKVNJZEQAVID-UHFFFAOYSA-N 379.464 2.864 0 40 GFAB COc1ccc(OC)c([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)c1 11694823 GVYXQJVKXAKNHC-VMDGZTHMSA-N 393.447 2.954 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085236 IHCQMLKGUYDBGP-HNNXBMFYSA-N 383.477 2.644 0 40 GFAB COc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC 16779402 SSULBTAEWFZHHN-CSUMZAAXSA-N 391.452 2.886 0 40 GFAB CN1CCCC[C@H](CNC(=O)NCc2cc(Cl)ccc2N2CCOCC2)C1 623990956 UMTCNCWTBNIKBE-MRXNPFEDSA-N 394.947 2.708 0 40 GFAB CC(C)(C)c1cc2nc([C@@H]3CCN(C(=O)CCCn4ccnc4)C3)cc(O)n2n1 12219920 BZCFBCUQNUUBDW-OAHLLOKOSA-N 396.495 2.725 0 40 GFAB COc1ccc(CC(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)cc1 12365742 YXFBGAPHOHIKIO-LJQANCHMSA-N 387.505 2.810 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccccc4F)C[C@H]32)c(OC)n1 247839881 KLYXFBQXSRRBAX-SOIKWTOOSA-N 387.455 2.753 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2cc(Cl)cn2)C1 1889214346 LBMRGAJTYPVRSS-UHFFFAOYSA-N 395.790 2.756 0 40 GFAB O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1NS(=O)(=O)c1ccccc1 1441638 PJZRVUSKPCHLPV-IBGZPJMESA-N 395.440 2.852 0 40 GFAB CCOc1ccccc1C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 4032779 UDVHEBPPDHBEAW-UHFFFAOYSA-N 396.443 2.917 0 40 GFAB COc1ccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1OC 4941983 LZIXYRHVVPNUKH-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c(C)c1 8962438 SSJHNODGWJGRTR-UHFFFAOYSA-N 387.461 2.663 0 40 GFAB Cn1cc(C(=O)NCCC2=CCCCC2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 9659531 DUUYAJWLQQXNGV-UHFFFAOYSA-N 392.459 2.638 0 40 GFAB COc1cc(OC)cc(C(=O)NC(=S)/N=c2/sc3ccccc3n2C)c1 17149600 YNUZZBDQPIBMPE-CZIZESTLSA-N 387.486 2.873 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12 211110284 PRWKYAKDEOLREG-UHFFFAOYSA-N 375.421 2.985 0 40 GFAB O=S(=O)(c1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 211105717 DIYCVQXKBPCYEM-AWEZNQCLSA-N 389.495 2.514 0 40 GFAB Cc1cc(O[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3F)C2)nc(C)n1 575607263 BAFQIRDBRBUMBW-AWEZNQCLSA-N 383.420 2.604 0 40 GFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1Cc2ccccc2O1 32375386 LLZHEWRTZJZIRK-AZUAARDMSA-N 386.879 2.833 0 40 GFAB O=S(=O)(c1ccccc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1 40161386 DBJSNAPEOAQIBI-UHFFFAOYSA-N 379.381 2.629 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20488933 KMAJEIDTLXPROC-INIZCTEOSA-N 396.852 2.514 0 40 GFAB O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCOCC3)c2c1)c1ccccc1 31807340 WYJFJYDCTHFJNA-LJQANCHMSA-N 379.416 2.878 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccccn1 29713959 SBOPZXIOVPDJFY-NRFANRHFSA-N 386.459 2.975 0 40 GFAB Cc1cccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c1 780613 XCBKSXHXVYPZBI-HXUWFJFHSA-N 385.423 2.670 0 40 GFAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 902129 VKOBYAAPOXPSGF-UHFFFAOYSA-N 379.526 2.532 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)CC)cc1 2652580 OPMGULHWNHTUCM-IBGZPJMESA-N 388.489 2.800 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3F)nnc12 1331732 DIEWDAWBTNLULU-UHFFFAOYSA-N 397.435 2.934 0 40 GFAB COc1cc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1C 32859836 ZEDLPWDPSWONCS-HNNXBMFYSA-N 395.459 2.840 0 40 GFAB CCCCC(=O)NC(=S)Nc1ncc(I)cc1C 6516044 DYIPJVALYDPLNK-UHFFFAOYSA-N 377.251 2.998 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)Cn3ccnc3)cc2)cc1 32932455 WGXRZIUJRWJWGN-MRXNPFEDSA-N 398.488 2.811 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccccc3N3CCCCC3)ccc21 32958738 CWQWSAOFZQIQEC-UHFFFAOYSA-N 392.459 2.952 0 40 GFAB COc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1OC 7376413 QSZRMYLYEMITLD-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 8369109 PGKDIVGETNCHNM-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB Cc1cccc([C@H](CC(=O)NC[C@H](C(C)C)N2CCC(C)CC2)NC(N)=O)c1 41400734 CRYHSAYBFZVBFN-VQTJNVASSA-N 388.556 2.967 0 40 GFAB CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2ccc(F)cc2)CC1 57719365 CWJARBPJHZWNJA-IBGZPJMESA-N 384.459 2.973 0 40 GFAB Fc1ccc([C@H](CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)N2CCOCC2)cc1 103253638 YEABGOAQHOLJOV-CBVHJVASSA-N 377.529 2.852 0 40 GFAB COCCNC(=O)NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCCC1 22978256 JCZMPDCXIZVRCN-UHFFFAOYSA-N 396.871 2.557 0 40 GFAB CCN(CCCNC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 23199852 PPDXRDZQJHXLMM-UHFFFAOYSA-N 381.476 2.983 0 40 GFAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1cnc(-c2ccccc2)nc1 23111099 ZUNIMCJKJBILCC-UHFFFAOYSA-N 375.363 2.631 0 40 GFAB Cn1c(SCCCc2nc3ccccc3o2)nnc1[C@H]1CCS(=O)(=O)C1 54203536 QUTBFVBXCYPSBD-LBPRGKRZSA-N 392.506 2.583 0 40 GFAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCS(=O)(=O)C2CCCC2)C1 54223018 FKQGLFGRPLCIQQ-AEFFLSMTSA-N 378.538 2.686 0 40 GFAB CC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)cc1 42755501 HPUUELNKVKVZGY-INIZCTEOSA-N 382.416 2.758 0 40 GFAB CN1CCN(CC(C)(C)CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)CC1 23247765 IBJAIWTUDTZJGL-GOTSBHOMSA-N 384.612 2.651 0 40 GFAB COc1cccc(N(CCCC(=O)NCc2cccc(C)c2)S(C)(=O)=O)c1 113966729 ZDFNPLWHGLMKDZ-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB C[C@H](CNCc1ccc(-n2cnc3ccccc32)cc1)CN1CCN(C)CC1 105440108 RRLKPVRMHQFDCK-LJQANCHMSA-N 377.536 2.999 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 107450042 JSWQGNRIQXFUOC-OIXVXLGFSA-N 376.522 2.826 0 40 GFAB Cc1csc(CNC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 57990422 PKHDSIYSUCEJEM-LBPRGKRZSA-N 375.372 2.883 0 40 GFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 58023346 HEHRBYWXPAHQQW-UHFFFAOYSA-N 398.463 2.716 0 40 GFAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 172443226 MPMNARNPXPUVLQ-CQSZACIVSA-N 379.931 2.626 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@@H]1c1nnc2ccccn12 29075378 DSZOKWGFNURVJO-QGZVFWFLSA-N 378.432 2.847 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 3332074 JYTYKJDLBAPSKF-INIZCTEOSA-N 398.337 2.633 0 40 GFAB Cc1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1 3370759 BVBBOFCYNZVHHJ-UHFFFAOYSA-N 378.384 2.745 0 40 GFAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccc2nccnc2c1 12785650 FCVCSENTBUGEBD-UHFFFAOYSA-N 392.440 2.935 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1cc2ccccc2o1 12807113 SZZQAAIOSYZNTO-WMLDXEAASA-N 391.427 2.773 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 113948024 OWEHXYBNKKPFQE-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB Cc1cc(N2CCN(CC(=O)N(C)Cc3ccccc3F)CC2)nc(C(C)C)n1 13010831 NNPHZOWETMZIIQ-UHFFFAOYSA-N 399.514 2.828 0 40 GFAB CCn1nc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c2ccccc2c1=O 13177007 MAFISODNSFHOLZ-INIZCTEOSA-N 383.379 2.501 0 40 GFAB O=C(NCCCC(=O)N1CCC(CN2CCCC2)CC1)c1ccc(F)cc1F 49074126 JCXIHQIJRQYMGN-UHFFFAOYSA-N 393.478 2.809 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1OC 4085526 CUKRMWSGYRKMBN-UHFFFAOYSA-N 383.400 2.683 0 40 GFAB biogenic CNc1c(I)cc(C=O)cc1I 408852188 JGYVIIGISSLFJQ-UHFFFAOYSA-N 386.958 2.750 0 40 GFAB COCCCN1CCC(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)CC1 65552024 XRRVXVUIJUEPIV-FNORWQNLSA-N 398.450 2.927 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1 17302952 DSDJVSCTOVNFLQ-WYMLVPIESA-N 387.461 2.564 0 40 GFAB COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 5571447 YOKGALSHUBXTCH-CMPLNLGQSA-N 382.869 2.883 0 40 GFAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4ccccc4)CC3)C2=O)cc1 4785213 XJISBAVHAXGQKL-HXUWFJFHSA-N 392.455 2.985 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1 5688099 RRELGDCFVGPAGK-INIZCTEOSA-N 399.516 2.861 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1 4877512 USCYRCPZFTXGDE-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC(=O)c2ccco2)c1 4867972 BNFNWGCNWAJXSO-UHFFFAOYSA-N 395.506 2.745 0 40 GFAB C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cccc(N2CCOC2=O)c1 68663999 ZGRTUMGHJTWXLU-CYBMUJFWSA-N 377.400 2.976 0 40 GFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 8059058 DKTGAWXFBNIMEG-LBPRGKRZSA-N 379.434 2.515 0 40 GFAB CCOc1cccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 22392129 OHZBQHBKRHNHPP-UHFFFAOYSA-N 390.461 2.693 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)C1 78934925 MPBMWNZPPGKJPJ-IAGOWNOFSA-N 395.544 2.739 0 40 GFAB CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 69093503 QGHIUMLHNHPFDH-UHFFFAOYSA-N 381.519 2.866 0 40 GFAB CC(C)c1nnc(/C=C/C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)o1 89893797 WEGAUTPEOOXNDU-VOTSOKGWSA-N 382.420 2.748 0 40 GFAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccc2F)CC1 306137242 QQGXBCLBFBLNPW-UHFFFAOYSA-N 385.487 2.784 0 40 GFAB COc1ncccc1CN1C[C@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 306123236 AIEYGXZHNLKIGI-LEWJYISDSA-N 388.471 2.973 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)C2CCCC2)c1 72354828 YKIVBFFZXNNOCJ-KRWDZBQOSA-N 379.464 2.678 0 40 GFAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCc2ccccc2C1 34849543 QLROQHHLSBEJPX-UHFFFAOYSA-N 393.443 2.960 0 40 GFAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72374896 KCQPJLMELUILOE-INIZCTEOSA-N 389.525 2.823 0 40 GFAB CCc1nn2c(nnc3c(=O)n(CCCO)ccc32)c1-c1ccc(Cl)cc1 40395887 PPKWQTVEGWSTPZ-UHFFFAOYSA-N 383.839 2.704 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCC1CCCCC1 225204580 MRSBIJRDRBQNCO-UHFFFAOYSA-N 382.526 2.575 0 40 GFAB CCCC[C@H](CC)CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1 224486682 LUFVQYMICXPBIX-YJBOKZPZSA-N 382.526 2.855 0 40 GFAB CC(C)(C)CC(C)(C)NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224554192 MKTMKVWLWRHURO-UHFFFAOYSA-N 380.510 2.942 0 40 GFAB CSc1cccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)c1 220062776 UEBVODNRMMQYMH-UHFFFAOYSA-N 378.519 2.799 0 40 GFAB O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1COc2ccccc2O1 225258342 HQZCVCURJGQWRT-AWEZNQCLSA-N 398.278 2.709 0 40 GFAB COCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(C(F)(F)F)n1 225899462 ACXHFVUYCYJBDK-SNVBAGLBSA-N 377.436 2.665 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223771524 GNASBGQXLWJQOP-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cc(=O)c2ccccc2o1 77099701 NRRWWBKHWXWMML-UHFFFAOYSA-N 380.400 2.668 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 583615876 IHOWLQNDWLGLSL-GOSISDBHSA-N 398.438 2.942 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C[C@@H](C)O1 245237553 NKMHXWGDJORQIH-CLLBMXBRSA-N 392.521 2.859 0 40 GFAB COCCC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)OCCO3)O[C@@H]2CCCC[C@@H]12 257289927 QAVJCQVORRKKNX-DODZYUBVSA-N 375.465 2.999 0 40 GFAB Cc1cnn(CC(=O)N2[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCC[C@H]2[C@]4(C)C3)c1 257327777 XCQRTVPGELMHDY-GRXQJBFDSA-N 388.512 2.971 0 40 GFAB COc1cccc2c1OC1(CCN(C(=O)Cn3cccn3)CC1)[C@H]1CCCO[C@H]21 257332731 XYLFPVRKIBRWFG-FXAWDEMLSA-N 397.475 2.813 0 40 GFAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CO)C(=O)O)cc1 252516413 SJKWFDKKFKNNHK-SOLBZPMBSA-N 380.849 2.651 0 40 GFAB CCN(CC)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCc1ccncc1 257237281 HFVPLNPPAISEAR-SFHVURJKSA-N 383.496 2.973 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 260793451 PQGDMBVABANOSK-JKSUJKDBSA-N 390.505 2.770 0 40 GFAB CCCS(=O)(=O)Nc1cc(NC(=O)Cc2cscn2)c(F)cc1F 667947403 OWSKESZFEAFIBF-UHFFFAOYSA-N 375.422 2.754 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c1C(F)F 668145628 INWMFYHALSNARA-RISCZKNCSA-N 385.436 2.817 0 40 GFAB CN(C)C[C@H]1CSCCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 90608954 XNIFDJSMPOKNCL-LBPRGKRZSA-N 398.472 2.643 0 40 GFAB CCN1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C[C@]12CCOC2 1615589731 RWMHCJBXMDDJGZ-FQEVSTJZSA-N 389.496 2.815 0 40 GFAB CN(CCN(C)C(=O)c1cccnc1N(C)C)C(=O)Cc1cccc(Cl)c1 1615612005 UFDICCPVZZVGEN-UHFFFAOYSA-N 388.899 2.574 0 40 GFAB COc1cc(CC(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)ccn1 613298182 RBONNXHDQPUWNM-KRWDZBQOSA-N 377.448 2.824 0 40 GFAB Cn1cc(S(=O)(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)cn1 585091178 VSTPWCGWWOZQGY-UHFFFAOYSA-N 389.399 2.719 0 40 GFAB CCN(CC)C(=O)CN1CCCN(Cc2cc(-c3cccs3)on2)CC1 46598391 CSIHEXPVRGHFTI-UHFFFAOYSA-N 376.526 2.779 0 40 GFAB O=c1c2ccccc2n(Cc2nc(-c3cccc(F)c3)no2)c(=O)n1C1CC1 826621366 RKYAPEPZTPJQQG-UHFFFAOYSA-N 378.363 2.736 0 40 GFAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H](c1cccs1)C(C)C 47519758 CQTYCJTYKLCMNV-GOSISDBHSA-N 399.520 2.953 0 40 GFAB COc1cc(-c2cnc(N3C[C@@H](C)O[C@H](C)C3)nc2-c2ccco2)nc(OC)n1 12240460 MUEBETYJRRZKIW-CHWSQXEVSA-N 397.435 2.824 0 40 GFAB CN(Cc1ccc(OCC(=O)NC2CCCCCCC2)cc1)S(C)(=O)=O 14398154 RBKJTJUSUAZTNP-UHFFFAOYSA-N 382.526 2.686 0 40 GFAB Cc1nn(C)cc1CN1CCC([C@H](NC(=O)C2CCC2)c2ccccn2)CC1 19583760 GRPRTHTXFIBDIZ-NRFANRHFSA-N 381.524 2.993 0 40 GFAB CN1CCCCC[C@@H]2N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC[C@@]21C 19713344 DFLLRCQPPYLQCS-ICSRJNTNSA-N 396.528 2.855 0 40 GFAB COc1ccc(C(=O)N2CCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)cc1 643576492 MLXIYUXGNFWGEU-LEWJYISDSA-N 399.487 2.665 0 40 GFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 245130815 UYYGFNRYRGBTKR-CYBMUJFWSA-N 386.399 2.810 0 40 GFAB Cc1csc(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)n1 22630416 PEUUGZWPQNXUNI-UHFFFAOYSA-N 393.582 2.962 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2cccc(Cl)c2)C1=O 3445368 UUADEJSKJLTPQX-LJQANCHMSA-N 388.807 2.915 0 40 GFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O 5218656 USBYQUOIIMJVKY-GOSISDBHSA-N 395.312 2.649 0 40 GFAB CC(=O)N1CCC(C(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)CC1 1889191803 GXRNPMZOSPLJHU-UHFFFAOYSA-N 382.508 2.976 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1C 245180749 ZJCPQUHGFXRYQW-QGZVFWFLSA-N 387.505 2.741 0 40 GFAB O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 4033822 DRTMKNXGNSWRRC-UHFFFAOYSA-N 393.296 2.936 0 40 GFAB COC(=O)c1ccc(CSc2ncnc3c2nnn3Cc2ccccc2)o1 4166367 AECSJRPMERFYCD-UHFFFAOYSA-N 381.417 2.942 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccn2)cc1 15390826 PESOQPAPVDYQPH-GOSISDBHSA-N 387.505 2.640 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(C)CC3)c(O)n2n1 22577855 MXRFPEPRKYURSD-OAHLLOKOSA-N 375.473 2.535 0 40 GFAB Cn1c(=O)oc2ccc(S(=O)(=O)NCc3ccc(-c4cccs4)o3)cc21 585367521 OMANRRKVVVDCEL-UHFFFAOYSA-N 390.442 2.932 0 40 GFAB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)no1 40033574 RZGCEJQASZJMER-UHFFFAOYSA-N 381.388 2.958 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C1 40082674 ZTNCTKCYQUSELJ-KRWDZBQOSA-N 378.538 2.676 0 40 GFAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)[C@@H]2CCCN2C1=O)c1ccccc1 40018191 WAIAOBRMJKJMLD-HLAWJBBLSA-N 394.471 2.889 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 20060402 IUGAOIZUNQYHHN-MSOLQXFVSA-N 379.489 2.970 0 40 GFAB C[C@@]1(c2cccc(NC(=O)c3cc(-c4ccccc4)on3)c2)NC(=O)NC1=O 40118489 AHGKOVJFIQWTSN-FQEVSTJZSA-N 376.372 2.649 0 40 GFAB COC(=O)c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1 40160414 JFVVVPALEVBDSX-MRXNPFEDSA-N 389.839 2.543 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1cccc(F)c1 100834761 LMFSJZMEZKZBPT-HIFRSBDPSA-N 389.180 2.881 0 40 GFAB COc1ccccc1NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101402310 YVOMCBKBXQJPJV-IJEWVQPXSA-N 390.505 2.931 0 40 GFAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CC(=O)N(C4CC4)C3)s2)cs1 29555408 VEVXKHXHZOJCRU-LBPRGKRZSA-N 375.519 2.850 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccccc1O 32719883 XHJSEMJAZXKAIW-UHFFFAOYSA-N 388.367 2.718 0 40 GFAB CCCCNC(=O)NC1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1 4215135 CPZHDDGPHQRMEJ-UHFFFAOYSA-N 387.484 2.715 0 40 GFAB in-man CCCCCC[S@](=O)[C@H]1CS(=O)(=O)C[C@@H]1[S@@](=O)CCCCCC 4339267 XLALDRNIXLZYLY-RZTYQLBFSA-N 384.629 2.810 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CC[C@@H](C)C3)NC(=O)N[C@@H]1C 4885817 GDLJWBMGRDZQTR-GHMZBOCLSA-N 392.477 2.548 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCCSc1nnnn1Cc1ccccc1 21733561 MLAUMALROMGHHJ-UHFFFAOYSA-N 393.472 2.890 0 40 GFAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1cccc(Br)c1 6679901 IDWCIPQFGNSFFG-UHFFFAOYSA-N 375.269 2.719 0 40 GFAB CCc1ccccc1NC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C 6800295 MUNWMQGKSFXDKU-UHFFFAOYSA-N 399.472 2.760 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1 32904923 OBYSKGYIFDNAEZ-LLVKDONJSA-N 397.522 2.755 0 40 GFAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)CCc2nc3ccccc3o2)CC1 600387937 PQZRIQWLIFRORO-AWEZNQCLSA-N 395.463 2.926 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 105331219 WLVUQSJTGVXEDH-HXUWFJFHSA-N 377.444 2.949 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 84129099 MPUWRLCVMLIDSH-GDBMZVCRSA-N 397.541 2.715 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377778 LBTJAIHWPDIMLS-CJNGLKHVSA-N 397.504 2.896 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 20110621 JYDVVOQXNTUSJK-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23224534 YVJOQVSSONPSLJ-MRXNPFEDSA-N 398.434 2.999 0 40 GFAB CN1CCc2nc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)sc2C1 24152452 IXFIVBHGSWAKMC-UHFFFAOYSA-N 392.912 2.933 0 40 GFAB CCN1C[C@@H](CN(C)Cn2nc(-c3ccc(F)cc3)oc2=O)Oc2ccccc21 12552696 KCZJBPWAVNVOBL-QGZVFWFLSA-N 398.438 2.819 0 40 GFAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1 28207483 DJWYTDBKPHZMRR-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccsc1 3231003 QVSMIZAPSJHVRV-ZDUSSCGKSA-N 395.440 2.657 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 10027241 JOFRVBUWSYRUIJ-UHFFFAOYSA-N 395.868 2.606 0 40 GFAB CCn1nnc2cc(C(=O)N3CCC(NC(=O)C4CCCCC4)CC3)ccc21 58157942 UKGUZTXGZAWAJV-UHFFFAOYSA-N 383.496 2.752 0 40 GFAB C[C@@H](C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)n1cncn1 58246326 MEVISSRGUNYXQC-HNNXBMFYSA-N 375.432 2.610 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 58427252 LQOMCLNVTXXNLM-ZREAOVPFSA-N 383.517 2.982 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 28414875 YDUVKHSGILDHAD-QGZVFWFLSA-N 387.390 2.717 0 40 GFAB COc1ccc(NC(=O)NC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1 11028590 KPRODGSNWYYSLR-UHFFFAOYSA-N 394.786 2.922 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 29085640 UWINVPVTJFJVDG-ROUUACIJSA-N 379.391 2.547 0 40 GFAB CN(C)C(=O)COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 29230818 PLVFHKGCGLQZKA-UHFFFAOYSA-N 390.823 2.831 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)n1 12742734 UGCAAVZUVBZGAU-CQSZACIVSA-N 379.507 2.799 0 40 GFAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(c2ccncc2)CC1 12791678 LWIWNJZCGPHNDW-UHFFFAOYSA-N 398.470 2.837 0 40 GFAB CCOC(=O)N1CCC(NC(=O)[C@H](C(C)C)N2CCc3ccccc3C2)CC1 48374795 IRNYUVPNZYHSPU-FQEVSTJZSA-N 387.524 2.806 0 40 GFAB Cc1[nH]c2c(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)cccc2c1C 48311909 LLVLVWWPMJRZGO-UHFFFAOYSA-N 377.492 2.862 0 40 GFAB O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3440063 GYCCVZHHPZSNLU-UHFFFAOYSA-N 394.493 2.523 0 40 GFAB CCn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1N1CCOCC1 8754148 UDDYOUNCDPFPHH-UHFFFAOYSA-N 398.435 2.711 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2=COCCO2)cc1 8753205 YQSBFTRSKBWGIF-UHFFFAOYSA-N 388.445 2.729 0 40 GFAB Cc1c(/C=C2/C(=O)N=C(O)N=C2O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 8741282 RKMHZTVPLHCOPK-UHFFFAOYSA-N 393.399 2.594 0 40 GFAB biogenic COc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1OC 5399287 FTYOBDSZPVJVDM-UHFFFAOYSA-N 383.379 2.705 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 14182132 HOOZLYOHQMCGNA-UHFFFAOYSA-N 376.825 2.630 0 40 GFAB COc1cc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc(OC)c1O 4519953 MEDMPBQAOMOYRJ-AWEZNQCLSA-N 399.374 2.880 0 40 GFAB CNC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc23)cc1 14227974 NBEUWYGIOWESAZ-OAHLLOKOSA-N 389.455 2.885 0 40 GFAB CC[C@H](C)NC(=O)[C@H](CCSC)NC(=O)N1CCn2c1nc1ccccc12 6671639 JTYAUJORQGPNEC-ZFWWWQNUSA-N 389.525 2.602 0 40 GFAB COC(=O)C1=C(c2ccc(OC)c(OC)c2)[C@H](c2ccccc2)N2NN=NC2=N1 4754084 JOHMFIAVWJJTCT-SFHVURJKSA-N 393.403 2.886 0 40 GFAB O=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 67386210 IAMMHRUUABHWTQ-YJBOKZPZSA-N 384.423 2.633 0 40 GFAB CCOc1ccc(CN(C)Cc2nnc3n(C)c(=O)c4ccccc4n23)cc1 15412102 ULGHSXQIBQAUMX-UHFFFAOYSA-N 377.448 2.612 0 40 GFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@@H]1CCOc2ccccc21 7218560 UFRIDCYJDWXHRQ-MRXNPFEDSA-N 394.452 2.989 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(NC(C)=O)cc1 7305560 GRVUMUGGENINLO-UHFFFAOYSA-N 390.461 2.627 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 19797430 PHAIFSUZDKTDDD-AWEZNQCLSA-N 398.484 2.981 0 40 GFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cnccn1 7813952 LXTJUGYZDABOGD-UHFFFAOYSA-N 380.857 2.557 0 40 GFAB COc1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1OC 16227461 QWHKRVCKYKXLSB-UHFFFAOYSA-N 385.493 2.952 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1cc2ccccc2o1 7976124 WFGPYXVNMBTGBF-OAQYLSRUSA-N 376.368 2.845 0 40 GFAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 8157140 KFRNPAGIDDUTBY-HXUWFJFHSA-N 397.456 2.620 0 40 GFAB COC(=O)Cc1c(C)nc2nc(NCc3c(Cl)cccc3Cl)nn2c1O 9320440 FRFLTSPRTINMBC-UHFFFAOYSA-N 396.234 2.773 0 40 GFAB O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)NCc2ccc(F)cc2)C1 95398577 JMFNVJHZAXSLRH-SFHVURJKSA-N 392.452 2.656 0 40 GFAB Cc1ncc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n1-c1ccccc1 78966194 NOUCNQSBOBXOEH-KRWDZBQOSA-N 378.407 2.855 0 40 GFAB CC(C)n1ncc(C(=O)Nc2ccc(CN3CCOCC3)cn2)c1C(F)(F)F 95976300 STBDWKWAWIKGGG-UHFFFAOYSA-N 397.401 2.962 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1NCCc2cc3c(c(OC)c21)OCO3 65748256 ZPSPOYAHTOQXBP-SJORKVTESA-N 399.399 2.540 0 40 GFAB in-vitro CC(C)[C@H](NS(=O)(=O)c1ccc(CCc2ccccc2)cc1)P(=O)(O)O 28640034 FHZGYMLWCVBBPM-GOSISDBHSA-N 397.433 2.910 0 40 GFAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CCc2ccccc2)cc1 67896292 DLROXGDCTAOTGG-DENIHFKCSA-N 382.460 2.539 0 40 GFAB biogenic,in-vitro COc1ccc(CC(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1 408714821 XFTNBUPQABZYRU-UHFFFAOYSA-N 397.431 2.964 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 408603091 FFDKVPXRSSLDKB-HNNXBMFYSA-N 378.469 2.729 0 40 GFAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)[C@H]1COc2ccccc2O1 35313256 VOCMHSNXYHCXNT-KBXCAEBGSA-N 386.448 2.751 0 40 GFAB CC[C@H](C)CN(C)c1nnc([C@]2(C)Oc3ccccc3NC2=O)n1CCOC 1523493658 CWRSAFZVHVYTJR-XOBRGWDASA-N 387.484 2.653 0 40 GFAB Cc1nccn1-c1nccnc1C1CCN(C(=O)COc2ccccc2)CC1 72350591 OSNWIDDAIXEMBZ-UHFFFAOYSA-N 377.448 2.756 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccc(F)cc3s2)cc1 32738586 DNEZVFHFRRDWMU-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 72322180 FOBROSOGWGYBST-INIZCTEOSA-N 378.494 2.949 0 40 GFAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)cc1 32819577 PNLRLBNNXUOPAO-SFHVURJKSA-N 392.452 2.970 0 40 GFAB O=C(CC1(Cn2cnnn2)CCCCC1)NC1CCN(Cc2ccccc2)CC1 79473794 REBIIVHXVWGHOB-UHFFFAOYSA-N 396.539 2.795 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)N1CCOCC1 214665276 RARIMNHXIZNERM-SFQUDFHCSA-N 398.440 2.842 0 40 GFAB Cc1cc(C(=O)Nc2ccc([C@@H]3NC(=O)c4ccc(C)nc4N3C)cc2)on1 72341191 BNKSGWKUIBRDED-QGZVFWFLSA-N 377.404 2.817 0 40 GFAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225884912 VSDSXSNHWLZOGZ-UHFFFAOYSA-N 375.527 2.714 0 40 GFAB COc1ccccc1OCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 224412398 JRLWJUDCPILQBV-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB Cc1ccc(OCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225562263 VHSMMERXMQQRLD-UHFFFAOYSA-N 393.534 2.756 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)s1 222620956 MZZXQMXQJUHCGX-NSHDSACASA-N 381.479 2.826 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)NCCCc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 223281704 ZSIKDSIVMNOXSD-VQTJNVASSA-N 388.414 2.612 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1cccs1)CC2)[C@H]1CCCO1 77192011 XDFCLKOPPZOXFW-VBROQKIQSA-N 389.502 2.920 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 48339952 QQRMRAOYCBSXRC-FUHIMQAGSA-N 383.536 2.792 0 40 GFAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 223291842 DOGUGDHJYDNJPW-CQSZACIVSA-N 392.477 2.887 0 40 GFAB CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 48707306 SBHAZQYIEGWYOT-GFCCVEGCSA-N 384.498 2.807 0 40 GFAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCCO)c2ccccc2)cc1 223554165 RRNXZVKXAJUXGV-OAQYLSRUSA-N 398.503 2.920 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc(I)c1 142802288 VFDICGXUUGFPGQ-MHWZDGSBSA-N 379.197 2.993 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(C)=O)[C@@H]3C2=O)cc1 95483315 QMQNARXGXSUFLB-PLACYPQZSA-N 388.423 2.800 0 40 GFAB COCCn1cc(CC(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 95474194 CRLYNMLKDBXHRH-UHFFFAOYSA-N 390.447 2.659 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)N(C)CCc2ccccn2)[C@@H]1c1ccccc1OC 257240931 HVTYJGOPMFWHDP-NQIIRXRSSA-N 381.476 2.701 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccc(OC)cc1 257340695 ZHEVHTUVKHIWKG-CTNGQTDRSA-N 387.524 2.597 0 40 GFAB COCCC(=O)N[C@@H]1[C@@H]2CCCN(c3nccc(C(F)(F)F)n3)[C@H]2C1(C)C 585137566 GLTFPHUGRUZVRT-NILFDRSVSA-N 386.418 2.642 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)c(C)c1 253472615 NWWUSGBHOCVOKK-SFHVURJKSA-N 393.486 2.873 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 257253621 JZPOAHUWPSQEJR-OAQYLSRUSA-N 385.439 2.706 0 40 GFAB Cc1ncc(-c2cncc(C[C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)n1C 257257944 KRSSASAYYBOETB-GOSISDBHSA-N 390.491 2.604 0 40 GFAB O=C([C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2O)C1)N1CCCCC1 632300944 HZZLFTDBJJCRQX-OLZOCXBDSA-N 386.901 2.505 0 40 GFAB c1cncc(-c2nc3c(c(NC4CCN(C5CCOCC5)CC4)n2)CCC3)c1 641657346 UTKDRUNNTRUJFH-UHFFFAOYSA-N 379.508 3.083 0 40 GFAB O=C(NCC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2)OCc1ccccc1 390831004 PAJDZQAQZROSJM-ROUUACIJSA-N 395.459 2.909 0 40 GFAB COc1cccc(CC(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111424 TXMBVRMUGBZTDO-OAQYLSRUSA-N 391.471 2.913 0 40 GFAB Cc1csc([C@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)n1 67938230 VWRCAHVLDRKBAD-ZDUSSCGKSA-N 383.477 2.715 0 40 GFAB COC(=O)c1c(NC(=O)CCn2c(=O)n(C)c3ccccc32)sc(C)c1C 14773930 IZFZWMMZWUREPE-UHFFFAOYSA-N 387.461 2.834 0 40 GFAB CCCc1nn(CC(=O)Nc2ccccc2C(=O)OC)c(=S)n1-n1cccc1 16778217 VEJOLFKDIPZKPE-UHFFFAOYSA-N 399.476 2.905 0 40 GFAB COc1cc2c(cc1O)CCN(Cc1cn(CC(N)=O)c3ccccc13)[C@H]2C 19498328 AECPPGWFNDDDJC-AWEZNQCLSA-N 379.460 2.960 0 40 GFAB NC(=O)/C=C/c1ccc(OCc2cccnc2)c(I)c1 226332914 DXVUGDJEPDEOLI-GQCTYLIASA-N 380.185 2.764 0 40 GFAB CCCNC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123407 XZEGRNGOFAMRLC-INIZCTEOSA-N 396.495 2.707 0 40 GFAB CCc1nccn1CC1(O)CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 19523612 KTBKRPYWHXYSFO-UHFFFAOYSA-N 382.464 2.603 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)N1CCC([C@H](O)c2ccccc2)CC1 31268954 QFBZKHFJROHFNE-HSZRJFAPSA-N 394.471 2.774 0 40 GFAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)cc1 4250561 ONGOJJLZLKYWCZ-UHFFFAOYSA-N 379.464 2.802 0 40 GFAB CC(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1 4585660 RSSMNYBABXMJGG-UHFFFAOYSA-N 385.401 2.595 0 40 GFAB Cc1c(S(=O)(=O)CCNC(=O)NCc2ccccc2)c2ccccc2n1C 8808496 CDXLUCGTUJRJNL-UHFFFAOYSA-N 385.489 2.760 0 40 GFAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1Cl 44003753 JKMSZXJEJVFAON-UHFFFAOYSA-N 391.320 2.927 0 40 GFAB COc1cc(/C=C2\SC(=O)N(CCCC(=O)O)C2=O)cc(OC)c1OC 13769402 WVJIZXHAXSCGID-LCYFTJDESA-N 381.406 2.614 0 40 GFAB CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2cc(OC)ccc2OC)C1=O 101043671 DQFNTQMEJKZOEU-DTQAZKPQSA-N 375.425 2.658 0 40 GFAB C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1nc(C(C)(C)C)no1 40057365 KSMACTYMJRJPIC-UWVGGRQHSA-N 386.499 2.581 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2CCN(C(=O)c3cccs3)CC2)n1 40121502 YTNHCVBLKWMZOP-CQSZACIVSA-N 388.537 2.866 0 40 GFAB Cc1ccc(C2=C[C@@H](c3ccccc3)N3NC(N4C(=O)CCC4=O)=NC3=N2)cc1 100356761 NHDVAVZCKCCAJY-SFHVURJKSA-N 385.427 2.772 0 40 GFAB CCN(C(C)=O)c1nc(COC(=O)CN(C)c2ccc(Cl)cn2)cs1 51460274 MEVBJJTXTHFKQN-UHFFFAOYSA-N 382.873 2.744 0 40 GFAB CC(C)NC(=O)CCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1 45921041 IRONSEAASFCZAT-UHFFFAOYSA-N 380.448 2.558 0 40 GFAB COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3cccc(OC)c3)cc21 4965763 QNIIIJMVQXVXKE-UHFFFAOYSA-N 398.415 2.625 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCc2c(NS(C)(=O)=O)cccc21 52992720 ZGNNUFDDFCPVOG-HOCLYGCPSA-N 379.526 2.506 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nc3sccc3c(=O)[nH]2)c1 8456454 CDGSGNINSBVVOK-UHFFFAOYSA-N 377.447 2.733 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 12324579 IHSJMJAPDOOFRH-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12580938 UYOFXHZEHBDSNE-HNNXBMFYSA-N 388.431 2.953 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 12521889 HMGFAOREVVWTFP-INIZCTEOSA-N 385.917 2.693 0 40 GFAB O=C1COc2cc(C(=O)OCC(=O)N3CCC[C@@H]3c3cccs3)ccc2N1 24972015 KVAPJJUVASLCDX-CQSZACIVSA-N 386.429 2.600 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCCc2ccc(OC)cc2)cc1 20038893 HLFIILUAKAMNHG-UHFFFAOYSA-N 377.462 2.534 0 40 GFAB C[C@@H](C(=O)Oc1cccc2cccnc12)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100637080 FXERADPWPCNZNP-UIAXYZKSSA-N 388.423 2.582 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c(OC)c1 48073536 PELABCFKUOONIZ-LJQANCHMSA-N 382.460 2.667 0 40 GFAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NC[C@H]1CCS(=O)(=O)C1 44719568 XVOYBFQHOCPWSZ-JRBALWBOSA-N 381.803 2.923 0 40 GFAB COc1ccc(Oc2cc(CNS(=O)(=O)N3CCCCC3)ccn2)cc1 48287539 FUQZBSWJQALOKA-UHFFFAOYSA-N 377.466 2.703 0 40 GFAB Cc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 20673090 OQKYDAGIDXBOTN-IWAYRVGRSA-N 390.487 2.945 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccsc1 25811850 LTAIHJCPIARGHO-CQSZACIVSA-N 386.926 2.838 0 40 GFAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12761815 RLHLMIDWQSLSNE-MLRMMBSGSA-N 379.511 2.999 0 40 GFAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCCN1CCCS1(=O)=O 58427465 IOMZHAFMXGHFSU-VQHVLOKHSA-N 394.493 2.719 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(F)cc(F)c3)CC2)cc1 10567681 LORPEUYHMWGEQW-UHFFFAOYSA-N 394.443 2.856 0 40 GFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)nn3-c3ccccn3)C2)cc1 36353288 JCPMVFNCECCSHE-HNNXBMFYSA-N 391.431 2.576 0 40 GFAB CCOC(=O)N1CCN(CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 36389616 MJVHXVWRCJUYBM-UHFFFAOYSA-N 399.491 2.581 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cccnc2N2CCCC2)NC(C)=O)cc1 48375456 CRWNDMDLACNMJE-LJQANCHMSA-N 382.464 2.896 0 40 GFAB COc1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)ccc1N1CCCC1=O 11446024 YMOLNJCTMOUZGV-LJQANCHMSA-N 399.447 2.808 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1c(C)noc1C 12886705 VCNFRDWOJCFRDO-UHFFFAOYSA-N 377.466 2.525 0 40 GFAB CN(C)Cc1ccccc1CNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 12875693 QXGCFLFFPBUVLI-UHFFFAOYSA-N 394.519 2.852 0 40 GFAB CCN(CC)C(=O)[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 12974771 MTMYEZNNYYKXBK-SFHVURJKSA-N 389.473 2.857 0 40 GFAB COCCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 13016798 DMTUFAKMVHLJLB-UHFFFAOYSA-N 389.882 2.937 0 40 GFAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 70777402 VFQRDZTYWOUQLL-UHFFFAOYSA-N 379.507 2.621 0 40 GFAB COc1ccc(F)cc1CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13235104 FTTGUALNWKVQKO-KRWDZBQOSA-N 385.395 2.811 0 40 GFAB CCCS(=O)(=O)N1CCC(C(=O)NCCSc2ccc(C)c(C)c2)CC1 49462001 QJTFWLLFGAYFDU-UHFFFAOYSA-N 398.594 2.964 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCCCC(=O)c1ccc(F)cc1 5239788 ONOCOIBRGUWVER-UHFFFAOYSA-N 384.363 2.849 0 40 GFAB O=C(NCCNC(=O)c1ccc2nc(-n3cccc3)sc2c1)c1ccncc1 9054143 FUSFOKFYOLZBHE-UHFFFAOYSA-N 391.456 2.642 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1C 14016637 VOAAZPOHDRAHHP-MRXNPFEDSA-N 377.466 2.700 0 40 GFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1(C)C 14249212 TWJPZHQDJCWSFN-RBUKOAKNSA-N 390.549 2.899 0 40 GFAB O=C(Cn1nc2c(c1NC(=O)c1cccs1)CSC2)NCc1ccco1 23139325 UZMNOFIWFAMUHF-UHFFFAOYSA-N 388.474 2.853 0 40 GFAB O=C(CCc1ccccc1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 6508358 GVKPEYPVXGBTBM-GHRIWEEISA-N 381.457 2.867 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-n2cccn2)cc1 6654639 MKYNUYISOPYCFU-UHFFFAOYSA-N 380.423 2.790 0 40 GFAB COCCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 4704070 BZLRVTMQSOYWSV-SFHVURJKSA-N 399.422 2.947 0 40 GFAB Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)c1 5642047 AJRBBGNWKKXPRC-UHFFFAOYSA-N 394.406 2.722 0 40 GFAB biogenic COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 7986035 HZFAYBSTVDIGQF-MRXNPFEDSA-N 389.791 2.855 0 40 GFAB COc1cccc(CNCCNC[C@@H](C)O)c1OCc1ccc(Cl)cc1 22075178 ZKFPJENTPUSONF-OAHLLOKOSA-N 378.900 2.988 0 40 GFAB Cc1cccc(S(=O)(=O)c2cnc(N3CCc4ccccc4C3)nc2N)c1 71772131 WYVIUCHWBPNXJW-UHFFFAOYSA-N 380.473 2.763 0 40 GFAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1=O 9867822 SGGFTTCKAIJYKV-BFUOFWGJSA-N 386.477 2.680 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)c3cc(-n4cnnn4)ccc3Cl)c2c1 72404539 HKVUFGDRXSAFKI-UHFFFAOYSA-N 396.838 2.778 0 40 GFAB CCCOc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1 84756793 YDDJSISEJQGJLM-UHFFFAOYSA-N 380.441 2.922 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc([C@@H]2CCCO2)n[nH]1 95477542 MIAPEGYSSVCZEP-AWEZNQCLSA-N 398.419 2.651 0 40 GFAB O=C(NCCc1ccc2c(c1)CCO2)N1CCN(c2ccc(Cl)cn2)CC1 78813094 LSOCQIRULVBKJU-UHFFFAOYSA-N 386.883 2.744 0 40 GFAB C[C@@H](NCCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)OC(C)(C)C 95996237 MJDPOLMLHCBTDE-CVEARBPZSA-N 377.533 2.925 0 40 GFAB CCN(CC)c1ncc(Cl)c(C(=O)NCCN2CCc3sccc3C2)n1 68527852 HGZXEBWQJZRZNN-UHFFFAOYSA-N 393.944 2.826 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CC)C2)cc1C 408559033 VDSSUEHZWGABTC-HOTGVXAUSA-N 382.526 2.709 0 40 GFAB CCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 38753500 YLUBTNGLBFJCTL-UHFFFAOYSA-N 379.457 2.640 0 40 GFAB COC[C@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408702932 KJGSYHUXRUHEKO-NSHDSACASA-N 397.324 2.691 0 40 GFAB O=C(Nc1cc(N2CCCCC2)ncn1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 77100889 AEJJYNJCSQKCPB-AWEZNQCLSA-N 383.427 2.598 0 40 GFAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)Cn3cccn3)C2)n1 72384403 SZKWTZFNAHGBEU-HNNXBMFYSA-N 381.411 2.929 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NC3=NCCS3)cc2)c1 32996125 MTYUYSHXHLRKGY-UHFFFAOYSA-N 390.486 2.904 0 40 GFAB COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1N1CCCC1=O 216369436 SVNTXONKCQHEOA-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCc3ccccc3C2)c1 45137301 BEQKXCMDUUMFDD-UHFFFAOYSA-N 387.505 2.641 0 40 GFAB Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)nn1C(C)(C)C 523669654 WPGDPHQECIFRGA-KRWDZBQOSA-N 397.523 2.896 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCc2ccc(OC)cc2)ccc1Cl 223869120 NXFYQZXFFBSPNT-UHFFFAOYSA-N 383.853 2.656 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1C)N(c1cccc(OC)c1)S(C)(=O)=O 220615641 VUMVDOUALLMOFT-LJQANCHMSA-N 390.505 2.865 0 40 GFAB O=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccccc3)c2Cl)CC1 98086732 YCPAQJHSHFNHLB-UHFFFAOYSA-N 384.823 2.717 0 40 GFAB CN(C)C(=O)[C@]12CCCN(C(=O)c3ccsc3)C[C@H]1CN(c1ccccn1)C2 96251238 ONLLFNYVBFSFCG-UWJYYQICSA-N 398.532 2.590 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc3ccccc3[nH]2)[C@H]1O 257342435 ZOPCPHITHREXDM-DBXWQHBBSA-N 381.480 2.614 0 40 GFAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)nc1C 257296464 RCYBNCQOPUTQLB-HNAYVOBHSA-N 394.519 2.892 0 40 GFAB COc1ccc(C)cc1NC(=O)CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257336124 YNHQELMUSUZTFA-UNMCSNQZSA-N 384.476 2.846 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]1c1ccccc1OC 257213673 CIPVQLDZSAZBMG-XLIONFOSSA-N 385.464 2.950 0 40 GFAB Cc1cnn(CC(=O)N2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)c1 257280446 OKWXFXACMFLFMI-HSALFYBXSA-N 398.482 2.602 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 90612677 DGWOVPPDAFJWOK-HNNXBMFYSA-N 390.823 2.556 0 40 GFAB COCCN1C(=O)C[C@H](CNc2nc3cccc(C)c3o2)[C@H]1c1cnn(C)c1C 1615590257 KJVIVJPMYIXVRD-BEFAXECRSA-N 397.479 2.826 0 40 GFAB O=S1(=O)C=C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 575422956 DTOFDIUNAUHVKR-MRXNPFEDSA-N 397.905 2.842 0 40 GFAB O=C(CN1CC[C@@]12CCCN(C(=O)c1nccc3ccccc13)C2)N1CCCC1 585102355 YBAARWKVSMFATI-HSZRJFAPSA-N 392.503 2.538 0 40 GFAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 585103328 BFSFJWLLXRWMTC-QHCPKHFHSA-N 380.488 2.946 0 40 GFAB O=C(N[C@@H]1CCC1(F)F)[C@H]1CCC[C@]12CCN(C(=O)Cc1ccccn1)C2 585107317 PRUVZRLXUYEGGA-GPMSIDNRSA-N 377.435 2.557 0 40 GFAB Cc1nc(-c2ccco2)ccc1C(=O)N(C)C[C@@H](O)COCCOC(C)C 72310421 PESROOQZFADSIH-MRXNPFEDSA-N 376.453 2.525 0 40 GFAB CC(=O)N1CCN(C(=O)NCCc2cccc(Cl)c2)CCC12CCOCC2 1615551374 LGZOIRIGGTVOPQ-UHFFFAOYSA-N 393.915 2.696 0 40 GFAB CN(C)c1nc(N)nc(COC(=O)c2c(Cl)ccc(Cl)c2Cl)n1 11263782 NTPKDGWUVBERPK-UHFFFAOYSA-N 376.631 2.837 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1N1CCCC1=O 5329642 WMZKRGUHNTXRCB-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)C1 12157949 ROWWRESUKADIAD-ZWKOTPCHSA-N 399.491 2.947 0 40 GFAB C[C@@H](C(=O)N1CCCc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 13669604 HPTJKMOJEIMGLF-AWEZNQCLSA-N 376.453 2.960 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O 13711201 WGKDRDUFDBIWNH-KRWDZBQOSA-N 376.478 2.556 0 40 GFAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 15389105 JXIBIEWJLMQOLN-LBPRGKRZSA-N 384.860 2.977 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)c(C)c1 16081672 MLGZNHYSDGTJNY-UHFFFAOYSA-N 384.505 2.617 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 16108637 QNOABYYSRSRIEH-CYIWUNGXSA-N 389.473 2.998 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@H](c2nc(-c3ncccn3)no2)C1 19403968 UTTXTNICMBCGEO-SFHVURJKSA-N 389.459 2.964 0 40 GFAB C[C@@H]1CCCN(c2ncc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cn2)C1 19496641 HRUKHVXYNJYJHI-YLJYHZDGSA-N 379.508 2.842 0 40 GFAB COc1ncc(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)cn1 19572034 MPEKXRLDHSQLJO-SFHVURJKSA-N 391.427 2.970 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cn(C)cn1)Cc1ccccc1O2 643913491 RUVNWRVLZBANQK-UHFFFAOYSA-N 382.508 2.974 0 40 GFAB COc1ccc(NC(=O)CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1 1888930593 RGRKBNDIACWKFX-UHFFFAOYSA-N 395.450 2.603 0 40 GFAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1c(C)nc2ccccc21 1848357059 WTWJSNSBKWKNIU-QRXQEZHUSA-N 380.492 2.735 0 40 GFAB CC(C)NC(=O)CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2974367 NFWYAOVCVGUQIY-UHFFFAOYSA-N 377.466 2.873 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)CCc3ccccc3)cc12 4032791 DVZBRDFKMNGCMX-UHFFFAOYSA-N 380.444 2.837 0 40 GFAB O=C(NCc1ccccc1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791554 YKTRIVRMPWBJKD-UHFFFAOYSA-N 399.450 2.863 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)c2ccccc2n1 8863707 FEJDDTHKQAWNHZ-GOSISDBHSA-N 382.489 2.962 0 40 GFAB Cc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)NC(C)(C)C)c(=O)c21 22768129 ZVMCDKMCFJPWLE-UHFFFAOYSA-N 379.464 2.683 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220754904 XLKZFAYRKPLPBX-STQMWFEESA-N 378.473 2.641 0 40 GFAB O=c1cc2c(nn1CC1CCN(c3ncnc4c3CCCC4)CC1)CCCC2 585500927 SBWKOJBYDMSKAY-UHFFFAOYSA-N 379.508 2.708 0 40 GFAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O)cc2oc1=O 16042716 RTLPAGCOGXXQDI-XJKSGUPXSA-N 375.421 2.793 0 40 GFAB biogenic C[C@@H](C(=O)NCc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 40149042 KNXFVERGSFPCHR-NSHDSACASA-N 387.379 2.906 0 40 GFAB c1cncc(CN2CNC3=N[C@@H](c4ccco4)n4c(nc5ccccc54)N3C2)c1 20102185 KJCRBRWIRACWIQ-LJQANCHMSA-N 385.431 2.768 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCN2Cc1nc(C2CC2)no1)N1CCCCC1 29433638 SQSHSRKUJBIEPE-UHFFFAOYSA-N 388.493 2.684 0 40 GFAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)OC2CCCCC2)cc1 1361371 WJJUZNUIAWTNLL-UHFFFAOYSA-N 375.454 2.589 0 40 GFAB COc1cc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1OC(C)=O 1645452 BKHOASBTILGREP-LJQANCHMSA-N 396.351 2.684 0 40 GFAB CCOc1cc(NC(=S)NCCOC)c(OCC)cc1NC(=O)C1CC1 4127339 PYYXTIICBNCAQB-UHFFFAOYSA-N 381.498 2.765 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2CSC[C@H]2C(=O)NCc2ccccc2)c1 32809743 HYWBFCJADKSKHY-IBGZPJMESA-N 397.500 2.519 0 40 GFAB COCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(OC)cc1 4169150 HCJZYPOCQQPEME-UHFFFAOYSA-N 390.509 2.705 0 40 GFAB O=C(c1ccccc1)C1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1 4858898 MRRJZOKWTDNGML-UHFFFAOYSA-N 391.515 2.930 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NC2(c3noc(C)n3)CCCCC2)c1 46800127 TWHJBJULIVKVSW-UHFFFAOYSA-N 393.465 2.611 0 40 GFAB O=C(COc1ccccc1[C@@H]1CC(=O)Nc2ncnn21)Nc1cccc(Cl)c1 6227189 BQFHOXMIZUPQOB-HNNXBMFYSA-N 397.822 2.881 0 40 GFAB C#CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)NCCC)C1=O 6879599 CMRXWHQLJYNABJ-GDNBJRDFSA-N 392.864 2.915 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)NC1CCCC1 32910127 ADLPSKWLFQWGEJ-GUYCJALGSA-N 378.444 2.571 0 40 GFAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 7428503 NMXZRTFLCRWMOL-UHFFFAOYSA-N 398.481 2.719 0 40 GFAB C[C@@H](OC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21850360 YSDWYGVBDKJGFM-RDDDGLTNSA-N 378.734 2.508 0 40 GFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCNC(=O)c1ccccc1Cl 41396937 GBHRKXXBAODEDT-UHFFFAOYSA-N 382.851 2.614 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 8247298 VANGMYVKLQVEPW-OAHLLOKOSA-N 382.416 2.864 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2cccs2)C1=O 8891482 MZZSYFOEDRJYNQ-BLVKFPJESA-N 389.452 2.922 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)CC1 21902392 PVWIAAYGRLYGMD-OAHLLOKOSA-N 385.537 2.789 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 55549472 ZTIGDDAFMNNRKY-UHFFFAOYSA-N 376.478 2.949 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(C)o1 57624573 VZBHSHAOJXBMSI-GOEBONIOSA-N 396.534 2.865 0 40 GFAB CCOC(=O)c1ccc(OC[C@H](O)CSc2nnc(C3CC3)n2CC)cc1 22131992 VGTPQRDEUIGAKC-HNNXBMFYSA-N 391.493 2.884 0 40 GFAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)CC(C)(C)OC 72297561 RUENAOMMTVIQGW-HOCLYGCPSA-N 396.553 2.867 0 40 GFAB COc1ccc(C(NC(=O)CN2CCO[C@H](C)C2)c2ccc(OC)cc2)cc1 22384993 MHTTXIKKCNDLJI-MRXNPFEDSA-N 384.476 2.630 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccccc1N1CCCC1=O 22748321 JWAUJGYFHNZEAF-UHFFFAOYSA-N 379.416 2.568 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)cc1C 12544897 QZZVZIGBTNAICU-UHFFFAOYSA-N 395.444 2.526 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1COc2ccccc2C1 24632443 OVUMAUNKWZITMY-UYAOXDASSA-N 384.451 2.567 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(F)c1 25160136 XNONRFVTIONTER-LJQANCHMSA-N 378.407 2.963 0 40 GFAB COc1cccc2cc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)oc12 12617325 ABNDGTSITBHEHV-DVOMOZLQSA-N 387.432 2.899 0 40 GFAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 100634710 AJYDXIPSQULZLA-KEXUJGGDSA-N 375.424 2.731 0 40 GFAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(Br)cc1 57358649 UVLGLLVUJXFXTO-UHFFFAOYSA-N 381.299 2.666 0 40 GFAB CNC(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 57498683 MUAHFGDNWIPJKH-UHFFFAOYSA-N 383.492 2.707 0 40 GFAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(CCO)C3=O 2230640 KFPXUCHFTGBOTE-QGZVFWFLSA-N 385.803 2.998 0 40 GFAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCN(c2cnccn2)CC1 11086967 IRXWOQDGCKQJEU-UHFFFAOYSA-N 397.460 2.654 0 40 GFAB COc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1OC(F)F 12880051 YRUKNYYVCKWMNS-UHFFFAOYSA-N 375.331 2.645 0 40 GFAB CC(C)[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1 28927219 LKNCRKHIDYUDKU-OAQYLSRUSA-N 378.476 2.868 0 40 GFAB CC(=O)N(C[C@H](O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 2503727 MVHKFIURSMGIOK-MSOLQXFVSA-N 386.835 2.554 0 40 GFAB CN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2COc3ccccc3O2)CC1 3553098 IGOVRSREVDROMJ-LJQANCHMSA-N 387.867 2.870 0 40 GFAB COc1ccc(-c2nnc(COC(=O)Cc3ccc(NC(C)=O)cc3)o2)cc1 18340478 JAUOJLXXXVAKKZ-UHFFFAOYSA-N 381.388 2.990 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)NCCS(=O)(=O)N1CCc2ccccc21 41579659 XSRAPEIOWTVKCY-UHFFFAOYSA-N 398.528 2.617 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCCc1ccccc1 4081144 XQESBKKCSCRRPV-BTYIYWSLSA-N 398.484 2.633 0 40 GFAB biogenic Cn1cnnc1Sc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 8983037 TXFPRGYUFAOPGL-UHFFFAOYSA-N 388.474 2.622 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 6316183 WHOGBKSJAKJHNN-UHFFFAOYSA-N 388.445 2.556 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 6436082 OLTBRCMQFCQBIR-UWWQBHOKSA-N 394.537 2.570 0 40 GFAB Cc1c(NC(=O)CCC(=O)NCc2ccccc2)c(=O)n(-c2ccccc2)n1C 4551588 OJDLCQKDAOXPIJ-UHFFFAOYSA-N 392.459 2.520 0 40 GFAB CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccc(F)cc4)cnn23)c1N 9134978 MHMGQZWAEFXPCR-UHFFFAOYSA-N 380.383 2.788 0 40 GFAB CCCNC(=O)CSc1nnc(SCC(=O)NC2CCCCC2)s1 7290196 XMLBIVXHMCHMOR-UHFFFAOYSA-N 388.584 2.697 0 40 GFAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 16409433 NHMOJBCZVFZLSI-GFCCVEGCSA-N 387.387 2.602 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1OC 8135701 AANAYLOOZGZMGA-ZDUSSCGKSA-N 390.867 2.834 0 40 GFAB O=C([C@@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCOCC1 16964221 DBSBQROZLDGNCQ-SFHVURJKSA-N 386.835 2.607 0 40 GFAB O=C(C[C@]1(O)C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccccn1 8569923 SCJKKZFRQQTLQG-JOCHJYFZSA-N 379.460 2.722 0 40 GFAB O=C(NCc1ccccc1-n1ccnc1)c1cccc(CN2CCOCC2)c1 20490521 RHFGICLTJTWCCD-UHFFFAOYSA-N 376.460 2.635 0 40 GFAB CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccccc2Cc2ccccc2)C1=O 95406608 HPIUWFZMFFWRPU-FDDCHVKYSA-N 391.471 2.728 0 40 GFAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CC[C@H](c2ccccc2)C1 79474092 SAFKUIUZYFNLQU-SFHVURJKSA-N 399.560 2.629 0 40 GFAB O=C(NCc1ccco1)C1CCN(Cc2noc(Cc3ccccc3)n2)CC1 95957555 YYRWUDOIIZPRFN-UHFFFAOYSA-N 380.448 2.782 0 40 GFAB CC(C)C[C@@H](C(=O)NC[C@@H]1COC2(CCCCCC2)O1)N1CCCCC1=O 95991694 TWENRFRWRPEFCP-MSOLQXFVSA-N 380.529 2.996 0 40 GFAB Cc1ncsc1CN1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306127483 FZJOCWJMLGQDAJ-ZWKOTPCHSA-N 379.489 2.730 0 40 GFAB C[C@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC1)c1cccc(S(N)(=O)=O)c1 555843213 BHOYRCIEPJMKOS-LBPRGKRZSA-N 394.880 2.776 0 40 GFAB Cc1ccc(CNC(=O)[C@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 29660574 FUHAQOKVIWOEBW-KRWDZBQOSA-N 383.467 2.597 0 40 GFAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccccc1)S(C)(=O)=O 408620671 QIGXPYMYLOOBCN-KMYSJOAASA-N 376.522 2.926 0 40 GFAB O=C(CSc1nc(O)c(Cc2ccc(F)cc2)c(=O)[nH]1)c1cccc(O)c1 33429053 HLRDVCMCGDNTTG-UHFFFAOYSA-N 386.404 2.886 0 40 GFAB CCSc1nnc(Sc2nc(N(C)C)nc(-n3nc(C)cc3C)n2)s1 524732273 BLWBJLVOKSJWTE-UHFFFAOYSA-N 394.555 2.855 0 40 GFAB CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 35597442 UJDQGXLUUXQPHU-UHFFFAOYSA-N 378.450 2.676 0 40 GFAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 72375095 HDGIUHORTNJEKJ-LBPRGKRZSA-N 385.424 2.887 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)Cc2ccc(C)cc2)C3)C1 72390911 FKARSXPXRBHHNL-IBGZPJMESA-N 392.503 2.638 0 40 GFAB CCOc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)n1 520722894 QPBFEGYOEPMWJS-UHFFFAOYSA-N 395.438 2.972 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)s1 32788558 QJMNYQYGSYNFJT-UHFFFAOYSA-N 389.502 2.685 0 40 GFAB CCNC(=S)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225884199 CCQYWKATHNUIKO-UHFFFAOYSA-N 376.917 2.763 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 223414051 HZUWWFFGAZSDKA-HXUWFJFHSA-N 384.476 2.936 0 40 GFAB COc1ccccc1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222766076 LXRHXZSESCBFJZ-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB COc1cc(N)cc(Br)c1NS(=O)(=O)c1ccc(F)cc1 227146601 YWGGLLNOTJQCJM-UHFFFAOYSA-N 375.219 2.980 0 40 GFAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(OC)cc1 222420950 ARTAREMWEPXEJP-GOSISDBHSA-N 376.478 2.972 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1Cl 225203322 YMAOKZJPBAEJAG-RYUDHWBXSA-N 376.906 2.664 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1 43955310 XTSRITXJTLBJRK-UHFFFAOYSA-N 395.912 2.939 0 40 GFAB CC(C)c1ccccc1OCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 223766750 XNSYNLCXXCSJOH-UHFFFAOYSA-N 376.478 2.990 0 40 GFAB COCCCNC(=S)Nc1ncc(Br)cc1Br 223887387 DNNILKJJPRFAHS-UHFFFAOYSA-N 383.109 2.930 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2cc(C)oc2C)c(C)c1 96097347 UHHCBKSKAJUSBC-KRWDZBQOSA-N 380.466 2.565 0 40 GFAB CN(C)[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccc(F)c1 42765234 CWJNZJHTKSEVGT-MRXNPFEDSA-N 391.878 2.902 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1C 95964178 YBQDYRIKHGHHLB-ZDUSSCGKSA-N 389.481 2.533 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)cc1 12292011 IXBUQMWQQQPPLU-MRXNPFEDSA-N 392.415 2.938 0 40 GFAB O=C(/C=C/c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 14685638 VAGPMLFDEIMLIT-ZHACJKMWSA-N 390.892 2.886 0 40 GFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C(=O)CC(C)(C)C 15676423 DKUBCTKIXZEUGL-SFHVURJKSA-N 399.491 2.803 0 40 GFAB biogenic,in-vitro Cc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 16046770 LMUPJPSAWVIODY-UHFFFAOYSA-N 386.395 2.869 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19234575 NKPHVJAVUYSGSZ-AYMMHLMVSA-N 396.418 2.516 0 40 GFAB CNc1cc(CNC(=O)c2cccc(OC)c2OC)nc(-c2ccncc2)n1 19592336 XBYXFEOALOMBHQ-UHFFFAOYSA-N 379.420 2.528 0 40 GFAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)c1nc2ccccc2n(C)c1=O 19718485 OOHWNOHOANMKPM-UHFFFAOYSA-N 377.379 2.725 0 40 GFAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)n2)s1 643551153 YSASXCIIDCSEML-HNNXBMFYSA-N 399.520 2.774 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390826698 OQYRABHUKHDRMV-SFHVURJKSA-N 394.468 2.752 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 27566218 OKUNVRATDRIWLD-HNNXBMFYSA-N 382.489 2.704 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2ccnc2)C3)cc1 1565520483 VUHQJOVGZNJWRU-IRXDYDNUSA-N 387.505 2.614 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565543028 HIEAVKZBNIKGOB-NFBKMPQASA-N 378.472 2.932 0 40 GFAB Cc1ccc(-n2nnnc2CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1C 4376013 YZINSVJBGIIGQO-UHFFFAOYSA-N 388.431 2.568 0 40 GFAB CCOc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)cc1 4306505 SHGCXSFHNPLLDV-UHFFFAOYSA-N 391.474 2.927 0 40 GFAB Cn1c(=O)c2c(SCc3ccc(C(F)(F)F)cc3)ccnc2n(C)c1=O 4942217 ABJDWHXABPGPJB-UHFFFAOYSA-N 381.379 2.943 0 40 GFAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccc(C)cc1 5018358 JGKQQOXALOVLOX-AWEZNQCLSA-N 390.490 2.728 0 40 GFAB CCOc1ccccc1C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 9660896 BVKIJEVKUMQFNO-UHFFFAOYSA-N 381.407 2.878 0 40 GFAB COc1cccc(OCCNC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1 15082871 XADXJLZBFUPZNE-RGMRCXJASA-N 386.492 2.665 0 40 GFAB Cc1ccc(C(=O)N2CCO[C@]3(CCCN(Cc4csc(C)n4)C3)C2)o1 2055822689 CQFVPDYPOQUPEG-IBGZPJMESA-N 375.494 2.860 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21 21756204 GVXGBKZXODJGTC-UHFFFAOYSA-N 394.518 2.898 0 40 GFAB CN(C)c1cccc(C(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)c1 585147184 WEPUIDSNBYMPOY-HNNXBMFYSA-N 391.269 2.599 0 40 GFAB C[C@@H]1Cc2cc(CCC(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 19498129 IILXNRFTHARSIB-FOIQADDNSA-N 392.503 2.742 0 40 GFAB O=C(c1ccccc1F)N1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 40067088 SAIWYQCTQZQTAY-PXNSSMCTSA-N 387.499 2.765 0 40 GFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccsc2)CC1 30541924 YYLQYOQKNCOJCN-KRWDZBQOSA-N 391.562 2.908 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)cc1 101191609 SCGQRHGURMXRJU-WBVHZDCISA-N 384.775 2.558 0 40 GFAB CC(C)(C)OC(=O)NCCCCN(C[C@H]1CNC(=O)C1)C(=O)OC(C)(C)C 1857795155 PSWKNBSKLQHDDG-CQSZACIVSA-N 385.505 2.665 0 40 GFAB O=C(NCCn1ccnc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 46150139 QSVFJEQQAFONPB-HNNXBMFYSA-N 381.263 2.611 0 40 GFAB COc1ccc(C(=O)N(C)Cc2ccccc2F)cc1S(=O)(=O)NC(C)C 21332266 SBGVDDGUSFDWAF-UHFFFAOYSA-N 394.468 2.793 0 40 GFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O 3596141 IQQCBZXEIJEDBI-JOCHJYFZSA-N 379.460 2.892 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 32809240 FGQYNQZASCPXEE-NRFANRHFSA-N 399.539 2.645 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccc(Cl)cc1O 7200367 NFKNFNIHRFNKFZ-UHFFFAOYSA-N 390.823 2.574 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1nc(N2CCCCC2)ncc1Cl 32937185 IGGXQFDXVCVDDL-UKRRQHHQSA-N 394.903 2.972 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C(C)C)C(C)C)C2)cc1 10008465 IMEFFSGCRRTZFG-INIZCTEOSA-N 396.553 2.893 0 40 GFAB COc1cc(OC)cc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c1 8215713 HAKZDLGABUKOFJ-HXUWFJFHSA-N 393.443 2.649 0 40 GFAB COCCNC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725472 RDYHINJVSIBMHP-UHFFFAOYSA-N 375.130 2.926 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCc1ccc(OC(F)F)cc1 102905375 DUZSJHFMVILNFG-IYBDPMFKSA-N 394.418 2.512 0 40 GFAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc(C(=O)OCC)c1 2800797 OYLVGIGKUABSTN-HZPDHXFCSA-N 391.420 2.870 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 9342510 UGVYMKIBPNPRQR-UHFFFAOYSA-N 386.832 2.795 0 40 GFAB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1nc(-c2ccccc2)no1 9862948 FMETWNJPBMJHOI-UHFFFAOYSA-N 388.362 2.820 0 40 GFAB COc1cc(OC)c(C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 808374 FYOLHBDBIJFJMB-UHFFFAOYSA-N 386.448 2.683 0 40 GFAB COc1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1OC 23235607 PYJITAJPFUBLRM-OAHLLOKOSA-N 376.478 2.991 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1cncn1-c1ccc(F)cc1 23872955 LRGSHQILVGQAAU-UHFFFAOYSA-N 394.450 2.774 0 40 GFAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1CN1C(=O)CNC1=O 12523475 UAUMOVWFKHFJEW-UHFFFAOYSA-N 392.459 2.981 0 40 GFAB Cc1ncsc1C(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100145740 FDMQZJGSRGTXHN-HZPDHXFCSA-N 382.489 3.000 0 40 GFAB CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100642560 GOUMLHLYFWBNID-JTOWHCCKSA-N 392.249 2.687 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@H](c1cccs1)C(C)C 25964611 VUVTWPJMIOGKRV-KRWDZBQOSA-N 399.520 2.953 0 40 GFAB Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1C 57486177 WXODNEUWIUSLST-UHFFFAOYSA-N 383.467 2.517 0 40 GFAB CNc1ccccc1C(=O)[C@@]1(C)[C@@H](C(=O)NCC(C)C)[C@H]1C(=O)NCC(C)C 100219830 PRHMGWAASPHNSG-OEWRPIJISA-N 387.524 2.708 0 40 GFAB CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)nn1C(C)(C)C 44406563 OVPMBHRVHQGDGN-UHFFFAOYSA-N 385.512 2.923 0 40 GFAB CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 20140877 GJZNKHMRMNWGSN-OAQYLSRUSA-N 376.508 2.990 0 40 GFAB Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](N4CCCC4)C3)cc2)cc(=O)[nH]1 58105599 AZAWOMVDRZDCJG-SFHVURJKSA-N 381.480 2.837 0 40 GFAB COc1cc(-c2noc(CCC(=O)NCc3ccco3)n2)cc(OC)c1OC 2373114 GEWIRKQYJUODBJ-UHFFFAOYSA-N 387.392 2.604 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 10903499 JLZHWVOMRVTWLT-UHFFFAOYSA-N 379.460 2.698 0 40 GFAB CC[C@@H](CNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O)c1ccccc1 48245645 NFENSLBRSRAQAK-INIZCTEOSA-N 376.460 2.993 0 40 GFAB COc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1OC 45779882 IQSYNKIBWFCDMW-UHFFFAOYSA-N 386.423 2.878 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCOCC2)cc1OC 12753637 NIELCXKHBKXBQD-SFHVURJKSA-N 388.439 2.646 0 40 GFAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc3c(cc2O)OCO3)c1)n1cccn1 48324938 IDFUTCFXIVUIOF-LBPRGKRZSA-N 394.387 2.769 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCCN(c2cnccn2)C1 48399807 RWCMCQHGYXEHNI-LJQANCHMSA-N 379.508 2.952 0 40 GFAB CSCc1nc2ccccc2n1CC(=O)Nc1cccc(-n2cnnn2)c1 8719974 HZCMSHWPHYLCMI-UHFFFAOYSA-N 379.449 2.514 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1cccc(F)c1 12944227 SSNXZSKZAYYUPV-RDTXWAMCSA-N 376.453 2.856 0 40 GFAB O=C(NC1CCCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 12935723 QLJRXLLKABTGFI-HXUWFJFHSA-N 384.501 2.861 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](CO)Cc3ccccc3)c(=O)oc2c1 8765436 XTQDFTNQIOIEBN-QGZVFWFLSA-N 395.455 2.762 0 40 GFAB biogenic Cc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1 3623742 XWYWWQKBHGEIRD-KRWDZBQOSA-N 395.312 2.879 0 40 GFAB Cc1cc(C)cc(NC(=O)CSc2nnc(N3CCN(C)CC3)s2)c1 23139758 DQKPXEVDLGRVEK-UHFFFAOYSA-N 377.539 2.638 0 40 GFAB O=S(=O)(CCN1CCC2(CC1)OCCO2)c1cc(Cl)ccc1Cl 96743036 UFAMKPUKFYMQRF-UHFFFAOYSA-N 380.293 2.606 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc2n1CCCCC2 6097957 GZKLXLOVDBFMRZ-UHFFFAOYSA-N 385.493 2.861 0 40 GFAB CCOc1cc(CN[C@@H](CC)CO)ccc1Oc1nnnn1-c1ccccc1 13729598 WYVPVIDXGYPNAL-INIZCTEOSA-N 383.452 2.714 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(F)c2)cc1Cl 408558170 IQQVQLZTSNGESB-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)NC1CCCCC1 6389593 DVKNKUDTNDSQAO-IBGZPJMESA-N 390.480 2.930 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1 14184208 IGPOAIHYFARYPU-INIZCTEOSA-N 376.250 2.892 0 40 GFAB COc1cc(C(=S)N2CCN(c3ccccc3O)CC2)cc(OC)c1OC 5688552 PLXREECUUBOGFN-UHFFFAOYSA-N 388.489 2.916 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NC1CCCCC1 4882231 BMZASSHUTJVOPZ-UHFFFAOYSA-N 383.473 2.663 0 40 GFAB COc1ccc(Cc2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)n2N)cc1 6847337 UXTUSRGGYPDCFE-GOSISDBHSA-N 397.504 2.513 0 40 GFAB COC(=O)c1ccc(CNC(=O)COc2ccc(Br)cc2)cc1 5861241 PMBMLKUGBSMAJL-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 7078081 KIAONJSVEQQINV-KYJZABPNSA-N 393.417 2.528 0 40 GFAB CCn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 7153948 BMMAODFKURXEAQ-UHFFFAOYSA-N 377.491 2.875 0 40 GFAB COc1ccc(COC[C@H](O)CNCCOc2ccc(C)cc2)cc1OC 7737961 PEWSCWQZTFTKHI-GOSISDBHSA-N 375.465 2.558 0 40 GFAB COc1ccc(C(=O)COC(=O)CSc2nc(C)cc(C)n2)c(OC)c1 7737765 LUKSHVKIUGXARH-UHFFFAOYSA-N 376.434 2.629 0 40 GFAB CCOC(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc(C(N)=O)c1C 16445575 FTZSXEVAIXKCHV-UHFFFAOYSA-N 381.498 2.535 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1 8183639 OGZHGUCCIBMQAQ-UHFFFAOYSA-N 384.461 2.757 0 40 GFAB CCCn1c(=O)n(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc21 16707607 YZVUOTYATJNGMQ-UHFFFAOYSA-N 380.448 2.554 0 40 GFAB COC(=O)c1ccc(Cn2nc(-c3cn(C)nc3C)cc2-c2cn(C)nc2C)o1 17080568 VHTRMLDJVVFWEN-UHFFFAOYSA-N 394.435 2.729 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnn(Cc2ccccc2)c1 9384445 MHJBBVSQMQVSKP-UHFFFAOYSA-N 387.443 2.830 0 40 GFAB CC(C)Cn1nnc2ccc(NC(=O)CCc3ccc4c(c3)CCO4)cc2c1=O 96232571 QNADEGBYRVKQBT-UHFFFAOYSA-N 392.459 2.954 0 40 GFAB Nc1c(Br)cc(Br)cc1-c1nn2cnnc2s1 20134742 DPXVIOWNIJJUHT-UHFFFAOYSA-N 375.049 2.960 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2)c1 9449811 BJVIGLAHJLODFN-GOSISDBHSA-N 379.420 2.657 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21 67218304 BHJGXZCNZBIQSU-UHFFFAOYSA-N 385.489 2.699 0 40 GFAB O=C(NC[C@H]1OCCc2ccccc21)C(=O)Nc1cccc(Br)c1 9577148 VHJLQOUVAJYKQN-MRXNPFEDSA-N 389.249 2.818 0 40 GFAB O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 95964236 SQUIBVAUVJERJC-MRVPVSSYSA-N 386.684 2.577 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(c2nc(C(F)(F)F)cs2)CC1 301630261 BCQMCQJJRGCCNH-UHFFFAOYSA-N 377.413 2.673 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1OCC 408699747 YXJSRFXRZPPXPB-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218433414 IVOMYWUFIFBWNR-ZIFCJYIRSA-N 393.892 2.849 0 40 GFAB COC(=O)c1ccccc1NC(=S)N1CCC(NC(=O)c2ccco2)CC1 35312807 BLIUDXAGTPRISK-UHFFFAOYSA-N 387.461 2.657 0 40 GFAB CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccncc4)C3)n2)ncn1 72377625 QZHRJQBTOHWLQR-INIZCTEOSA-N 376.468 2.827 0 40 GFAB CCc1ccc(NC(=O)Cn2c(=O)c3nnc(CC)n3c3ccccc32)cc1 64871517 YGFDADAHOXZXBS-UHFFFAOYSA-N 375.432 2.808 0 40 GFAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 223499456 OGNZLTQVFYYSJV-LJQANCHMSA-N 396.487 2.944 0 40 GFAB CCCO[C@](C)(C(=O)Nc1ccc(OCCN2CCOCC2)cc1)C1CC1 225671957 DJYWSNFGPDGZFQ-NRFANRHFSA-N 376.497 2.931 0 40 GFAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 222655691 AATPAJGBSYNXFG-UHFFFAOYSA-N 390.505 2.625 0 40 GFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-n1cnnc1 222819540 JHBQNIQJVCRZFJ-ZWKOTPCHSA-N 381.509 2.784 0 40 GFAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCN(Cc4ccccc4)CC3)c2c1 225756819 FYQYYGXXHIKCIU-UHFFFAOYSA-N 389.499 2.963 0 40 GFAB COc1cc(C)c(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cn1 225958370 AUUKEVPWORRQLE-UHFFFAOYSA-N 397.884 2.748 0 40 GFAB CCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 225858486 TWWNUHLEURCONQ-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223001195 BDHYPFOAJGKQEV-WOJBJXKFSA-N 393.516 2.945 0 40 GFAB CCOc1ccc([C@H](N)c2n[nH]c(COc3ccc(OC)cc3)n2)cc1OC 95534258 PHPPMOVFNRKGBH-IBGZPJMESA-N 384.436 2.848 0 40 GFAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96075669 ICOWWPUUQLPLAF-FDDCHVKYSA-N 397.519 2.824 0 40 GFAB Cc1cc(C)cc([C@H](O)CNC(=O)c2cc(F)ccc2N2CCN(C)CC2)c1 585080259 VOJZEUIQGGUHRQ-OAQYLSRUSA-N 385.483 2.658 0 40 GFAB Cn1nc(C(=O)N2CCCC[C@H]2c2nc(-c3ncccn3)no2)c2c1CCCC2 585140280 BDLKAYJYNKQNPD-HNNXBMFYSA-N 393.451 2.506 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1F 253473322 UESLLBNOATUNNM-INIZCTEOSA-N 381.411 2.657 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21 253404410 RAIUAXDKTNFINP-SFHVURJKSA-N 395.478 2.887 0 40 GFAB biogenic,in-vitro CC(C)(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382612 URGORGLYIPMNMS-HNBVOPMISA-N 387.499 2.819 0 40 GFAB biogenic,in-vitro O=C(NS(=O)(=O)c1ccc(Cl)nc1)c1ccc(OC(F)(F)F)cc1 42282118 NMDZFVNDNXIPBR-UHFFFAOYSA-N 380.731 2.752 0 40 GFAB C[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 607589054 QSIGYYWRXSMJCI-MAUKXSAKSA-N 392.455 2.784 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C 575421697 LERIWQBXHQSXJB-SFHVURJKSA-N 391.514 2.805 0 40 GFAB O=C(c1ccc(Br)o1)N1CCN(c2ccc(C3CC3)nn2)CC1 575609386 WZODVUHSVMRONM-UHFFFAOYSA-N 377.242 2.672 0 40 GFAB COC(=O)c1oc(CN2C(=O)N[C@@](C)(c3c(F)cccc3F)C2=O)cc1C 47355862 IQWYFSCLOMSZMN-SFHVURJKSA-N 378.331 2.620 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 58213720 NJCGQCDTMGFLGP-AWEZNQCLSA-N 376.407 2.694 0 40 GFAB C[C@H](C(=O)N1CCc2sccc2C1)N1CCCN(c2nccs2)CC1 58218387 QXDSNVBVZYYQNH-CQSZACIVSA-N 376.551 2.690 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1nc3c(s1)CCCC3)CS2 90609730 XMNSSNGGBVVOLO-NSHDSACASA-N 390.534 2.810 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)n2)cc1C 5401680 NOQAVWVRDZGMAU-UHFFFAOYSA-N 391.427 2.572 0 40 GFAB O=C1N[C@@]2(CN3CCC2CC3)C(=O)N1CN(Cc1ccccc1)c1ccccc1 5487148 CHPHBKYGPSWUQY-HSZRJFAPSA-N 390.487 2.667 0 40 GFAB in-vitro Cc1ccc(OS(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 5746156 APUVMANJXIBUFT-INIZCTEOSA-N 380.510 2.589 0 40 GFAB COc1ccc(C2(C(=O)N3CCC(Nc4nc(C)c(C)c(=O)[nH]4)CC3)CC2)cc1 12113681 XUFFVHHTBYNJBI-UHFFFAOYSA-N 396.491 2.530 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2ccc(OC)cc2)cc1 14396499 CPILWBWWVTXDKF-UHFFFAOYSA-N 376.478 2.753 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1 15566474 WVNXJWMIVZYGAO-HXUWFJFHSA-N 398.459 2.806 0 40 GFAB C/C=C/c1ccc(OCC(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)c(OC)c1 15617136 COZAJAVAOCFTNL-WWPOYFSUSA-N 396.443 2.647 0 40 GFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccco1 15676472 IAYFFPGXRYANDD-INIZCTEOSA-N 399.834 2.918 0 40 GFAB biogenic,in-vitro Cc1nn2c(=O)cc(COC(=O)c3ccc(Br)cc3)nc2s1 15733966 KMLGMEDUWHOKRV-UHFFFAOYSA-N 380.223 2.579 0 40 GFAB CCc1noc(C)c1C(=O)N1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 19521253 CFKGDAPHNPJTRE-GOSISDBHSA-N 397.479 2.607 0 40 GFAB CCn1cc(CN2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 19762897 ZWJUNKSFUDOUEE-NRFANRHFSA-N 393.491 2.727 0 40 GFAB CC(C)N1C[C@H](NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1=O 606362728 XYKAYELXDXBLPX-CYBMUJFWSA-N 380.370 2.630 0 40 GFAB C[C@@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1)n1cccn1 12220656 KRHNGHPNORXXGV-DOTOQJQBSA-N 391.475 2.888 0 40 GFAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cc3c(cc1Cl)OCO3)C2 19340056 CRYWONKUPBQUOX-UHFFFAOYSA-N 396.834 2.772 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)c3ccc4c(c3)ncn4C3CC3)CC2=O)cc1 19714284 IQTDJSWWVOVLBY-HNNXBMFYSA-N 390.443 2.915 0 40 GFAB Cc1noc(C)c1CN1CCN(c2nc(O)c(F)c(-c3ccccc3)n2)CC1 1888904244 FXRQMHACZMSJLU-UHFFFAOYSA-N 383.427 2.915 0 40 GFAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cncc(Br)c1 24001865 CIEHXJOAGURMOM-UHFFFAOYSA-N 376.254 2.929 0 40 GFAB O=C1CO[C@@]2(CCCN(CC3CCOCC3)CC2)CN1c1cccc(F)c1 2037840670 QGHFIRNTZITXBD-OAQYLSRUSA-N 376.472 2.840 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 2056223228 KCBUOONZQCYNER-QFIPXVFZSA-N 381.524 2.950 0 40 GFAB CC(C)Oc1cccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c1 1565555136 TUHGQAZTSSJDQJ-UHFFFAOYSA-N 387.505 2.873 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1 4270256 CJVUZDWXAVNWIO-UHFFFAOYSA-N 395.444 2.991 0 40 GFAB CCOC(=O)Cc1cnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 4625425 QHNCVNZNIJTDFD-UHFFFAOYSA-N 376.463 2.856 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)cc1OC 5388688 RANYVMSWWZCVCA-UHFFFAOYSA-N 391.427 2.517 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 8962435 YVNKVZJIISJKEW-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc(Cl)cc4)cnc32)cc1 10251636 YRERILFFDZSEKR-UHFFFAOYSA-N 393.834 2.857 0 40 GFAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc3ccc(OC)cc3s2)cc1 10219259 PPBJXBSBFPKSRF-UHFFFAOYSA-N 392.458 2.726 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cn1 2055729893 YUTAZIYFLMJBCP-QOEFQVSFSA-N 394.475 2.824 0 40 GFAB Cn1cccc1[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 21152112 RVNSCUOMERCLEV-KRWDZBQOSA-N 381.398 2.847 0 40 GFAB C[C@@H](SCc1csc(-c2ccccc2)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 40067197 BYDUQAJMGCPCGE-OCCSQVGLSA-N 396.559 2.735 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(C)cc1 40009922 ZJIVFZHFORYJRV-SFHVURJKSA-N 389.473 2.574 0 40 GFAB O=C(NCCOc1ccc(F)cc1)C1CCN(c2ccc(Cl)nn2)CC1 30129443 SJIPBUVEIAOBIQ-UHFFFAOYSA-N 378.835 2.681 0 40 GFAB CN(CC(=O)Nc1ccc(-c2csnn2)cc1)S(=O)(=O)c1cccs1 40157865 QZUJWQGLOYDECU-UHFFFAOYSA-N 394.503 2.526 0 40 GFAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cccnc1OCC(F)(F)F 31294643 DKGWODVRMZSWFX-ZDUSSCGKSA-N 376.281 2.764 0 40 GFAB CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@@]23C=C[C@H]1O3 100833613 XKSAJNGWGQWNCX-FSZRXZPDSA-N 392.249 2.689 0 40 GFAB biogenic COc1ccccc1/C=C(/C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 32149034 JQNDLKZQTGNHSG-XWALVKJWSA-N 385.485 2.881 0 40 GFAB Cc1ccc2c(COC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)cc(=O)oc2c1 102127813 QYUIMPYKCMHJMK-CALCHBBNSA-N 397.427 2.710 0 40 GFAB COC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1 21360850 YMSSFTYUFDCPBT-UHFFFAOYSA-N 398.463 2.970 0 40 GFAB O=C(c1ccccc1)N1CCCC[C@@H](Sc2nnnn2-c2ccccc2)C1=O 3175463 DZSLJHGJQVCXSK-QGZVFWFLSA-N 393.472 2.976 0 40 GFAB COC(=O)c1ccc(OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 3538441 VSWIHDSIQMLOCB-UHFFFAOYSA-N 397.836 2.596 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(Cl)cc1 6233654 QRGNRRWWHXKTAY-ZDUSSCGKSA-N 396.896 2.640 0 40 GFAB COCCN1C[C@@H](c2cc(O)n3ncc(-c4ccc(Cl)cc4)c3n2)CC1=O 100775961 ZPXHKWKEHARTSM-ZDUSSCGKSA-N 386.839 2.718 0 40 GFAB COc1ccc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1F 32929907 PHSMWOFMDVCBIL-AWEZNQCLSA-N 379.453 2.796 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)c1cc2ccccc2oc1=O 47227857 XUJZWGROLOVHNM-UHFFFAOYSA-N 378.428 2.555 0 40 GFAB CC(C)(C)[C@@H]1NC(=O)N(Cc2cc(Br)c3c(c2)OCCO3)C1=O 97045823 UVOVUEMXNMTJLQ-CYBMUJFWSA-N 383.242 2.687 0 40 GFAB Cc1cc(Cl)ccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O 102943115 BJZVDVOAEGMENU-UHFFFAOYSA-N 382.759 2.585 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(CN(C)C)cc1 24067626 YUHPNYKTCHXCKX-KRWDZBQOSA-N 389.521 2.509 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 53667862 HNWJBIJPNZDOIE-UHFFFAOYSA-N 390.440 2.842 0 40 GFAB COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@H](C2)N(CC2CC2)CC[C@@]351)OCCO4 102939234 ZKNHXBONWOGIMA-QPAOKJHLSA-N 383.488 2.888 0 40 GFAB CC(C)NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399792 UFOYGBLCOCBIOY-AWEZNQCLSA-N 385.555 2.652 0 40 GFAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1cccs1 3332397 ZYVGCMPCXCEMLM-UHFFFAOYSA-N 381.453 2.844 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)C(C)C)c1 28199467 QXVZNNWUWGXREP-CLCXKQKWSA-N 376.497 2.963 0 40 GFAB COc1cc(Cl)c(NC(=O)c2ccc(N3CCOCC3)nc2)cc1OC 12749915 NRQVVWJOKXTDIM-UHFFFAOYSA-N 377.828 2.841 0 40 GFAB CCOc1ccccc1/C=c1/sc2nc(-c3ccccc3OC)nn2c1=O 2415056 JAQOIJMHUAVDSK-SFQUDFHCSA-N 379.441 2.773 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)Nc1cccc(N2CCOC2=O)c1 48333987 DQWPEVFWKNFCOL-UHFFFAOYSA-N 378.392 2.546 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)NC3CCCCC3)CC2=O)cc1 12875090 WSZNDVNSAJOCMZ-WBVHZDCISA-N 386.492 2.983 0 40 GFAB C[C@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1nc(=O)c2ccccc2[nH]1 12893388 PHZWOYFTXMKRHB-CQSZACIVSA-N 387.443 2.930 0 40 GFAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 3500723 GQBXFNPJQRPYNF-ZDUSSCGKSA-N 397.460 2.993 0 40 GFAB COc1ccc(C2=N/C(=C\c3cnn(-c4ccccc4)n3)C(=O)O2)cc1OC 12982757 ZGRTZYRDGPKMQS-WJDWOHSUSA-N 376.372 2.629 0 40 GFAB COc1ccc(OC)c(NC(=O)CNC(=O)c2cc3cc(OC)ccc3n2C)c1 13684560 PJUSMBVIVPASEZ-UHFFFAOYSA-N 397.431 2.573 0 40 GFAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O 4249234 XZIMYFGMPVTQQJ-UHFFFAOYSA-N 387.871 2.748 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 61342263 WXQKPHHNNMMUDU-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB Cc1ccc(SCC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C 14185597 YUCRPAUUWQHENN-CQSZACIVSA-N 378.519 2.920 0 40 GFAB O=c1c2c3c(sc2ncn1C[C@@H](O)COCc1cccs1)CCCC3 14226594 QFDAZYUIHXGSSM-GFCCVEGCSA-N 376.503 2.976 0 40 GFAB Cc1cccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C 6810405 MCZCKWQHPWVGRH-SJORKVTESA-N 391.489 2.880 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)COc1c(C)cc(Br)cc1Cl 7627835 ZDWKFKBBACNNRM-JTQLQIEISA-N 391.693 2.821 0 40 GFAB O=S(=O)(c1ccc(Sc2nc3ccccc3s2)nc1)N1CCOCC1 9322589 AKXNDVKKSZSFSG-UHFFFAOYSA-N 393.515 2.863 0 40 GFAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCc1cccnc1 7988282 PXYZRUCQDAFCDX-UHFFFAOYSA-N 399.447 2.880 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1 8133236 IVWFFMAKPHEJKY-UHFFFAOYSA-N 387.480 2.783 0 40 GFAB Cc1nc(C)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1 70040641 KZADVTXIPCOGFW-QMMMGPOBSA-N 383.376 2.897 0 40 GFAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2ccsc2=N)cc1 8496227 BMPOTXBIEHCSMS-UHFFFAOYSA-N 382.445 2.929 0 40 GFAB COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)NCc1ccccc1 8476198 CSONPHPJERLMIJ-UHFFFAOYSA-N 388.489 2.846 0 40 GFAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NCCN(C(C)C)C(C)C 24838303 VDUWNGCOYJDOBS-UHFFFAOYSA-N 383.558 2.530 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCCOc2cc(C)cc(C)c2)c1 31646268 ZBTKOYISDZERBC-UHFFFAOYSA-N 392.521 2.965 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1C 408551423 HUCCRBIWNNZBSE-GJZGRUSLSA-N 376.478 2.548 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409119409 UELKXVCYDHURAW-MRXNPFEDSA-N 390.505 2.501 0 40 GFAB COc1ccccc1CNC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 36358505 BGWBZOJIXLGWAF-UHFFFAOYSA-N 389.411 2.976 0 40 GFAB O=C(c1ccccc1F)N1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306124977 CDMRQBOYCUAPCP-QFIPXVFZSA-N 390.418 2.632 0 40 GFAB C[C@H](C(=O)Nc1nc(-c2ccccn2)cs1)n1nnc2ccccc2c1=O 71328826 UIOSLKNHXYZWBE-LLVKDONJSA-N 378.417 2.510 0 40 GFAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)[C@H]1C(=O)O 71285363 UAEZIAPMEXQAKZ-SJORKVTESA-N 379.416 2.580 0 40 GFAB CN1CCN([C@H](CNC(=O)NCc2cccs2)c2ccc(F)cc2)CC1 38631290 ULQLSUWCXZXDMY-GOSISDBHSA-N 376.501 2.675 0 40 GFAB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220651739 LOYJDFVHQOXHHZ-SFHVURJKSA-N 388.489 2.829 0 40 GFAB COc1cccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)c1 77104143 WBXGGLCFOKYUOJ-UHFFFAOYSA-N 380.535 2.915 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NC2CC2)cc1 223397232 NPCHCKAVCLTKPT-UHFFFAOYSA-N 376.503 2.882 0 40 GFAB COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc4c(ccn4C)c3)c(=O)oc12 252491293 LKYFDYALJUWJKA-GOSISDBHSA-N 392.411 2.757 0 40 GFAB COc1cc(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)ccc1OCC(N)=O 619328392 JVMMJQRNIHZLMG-HXUWFJFHSA-N 397.475 2.852 0 40 GFAB O=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 633146000 VQDJMKUSSXWTDK-VINWQNLFSA-N 393.487 2.964 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)CO[C@H](CN)C3)nn1-c1ccccc1Cl 1122289503 ZRSAZTNZXFEKTB-HNNXBMFYSA-N 388.899 2.804 0 40 GFAB COC[C@]1(C(=O)O)CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)C1 635514447 JAYWDSPUAVDFBJ-HNNXBMFYSA-N 376.787 2.565 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@H]4[C@]2(O)[C@H]1O)[C@H]1[C@H](C[C@H]3C)C1(C)C 299817690 ONMDPPVVEFWDOD-BIRLXLDSSA-N 388.504 2.614 0 40 GFAB biogenic,in-vitro COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)cn1 585120205 VXJQHDKRAJXBIP-AEFFLSMTSA-N 394.435 2.537 0 40 GFAB CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)O)c(C)cc2C)ccc1F 45946530 ODBBCQUJWAHYJT-UHFFFAOYSA-N 380.397 2.900 0 40 GFAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)c2ccc3c(c2)OCO3)[C@@H]1CO 1772595037 RFDMBLCSFMTLQZ-KBAYOESNSA-N 376.497 2.606 0 40 GFAB COc1c(C)cccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19235843 ZDFFUNLUWOFLMY-IBGZPJMESA-N 394.475 2.676 0 40 GFAB Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3ccc(=O)[nH]c3)ccc21 19289718 PTZXOXJOCLRCAJ-UHFFFAOYSA-N 388.383 2.666 0 40 GFAB Clc1cccc(N2CCN(Cc3nnnn3CCc3ccccc3)CC2)c1 19371489 CDRDKUZJEVOHIA-UHFFFAOYSA-N 382.899 2.891 0 40 GFAB CCn1cc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 19524537 GZGASSFHLNUCCY-KRWDZBQOSA-N 384.528 2.665 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)NCC1CCN(C2CCOCC2)CC1 225564456 VFLKPJXQGWJURN-UHFFFAOYSA-N 386.945 2.650 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)s1 12326802 VPHINOQQJHBXAF-UHFFFAOYSA-N 398.444 3.000 0 40 GFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)c2ccccn2)CC1 1888888079 TZCXZMGYOQDASB-UHFFFAOYSA-N 380.423 2.791 0 40 GFAB CCn1c(CCCC(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)nc2ccccc21 2037884025 OHQZYKXCFWHPQZ-SFGWALBWSA-N 395.507 2.846 0 40 GFAB O=C1COc2ccc(F)cc2CCCC[C@@H]2CN(Cc3cncnc3)CC[C@@H]2N1 2037988789 IJELVNNUCJYNKI-QUCCMNQESA-N 398.482 2.728 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]2O1 1565550209 UPTWNHQPHDBLTC-QUZFRVLNSA-N 397.519 2.792 0 40 GFAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 9828229 CQDRZOQXEDQLKN-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC[C@H](Oc2cnccn2)C1 219931988 IDRZSGOONPJAOD-SFHVURJKSA-N 381.457 2.986 0 40 GFAB Cc1nc(NCCNC(=O)c2ccc(F)cc2Cl)cc(-n2ccnc2C)n1 35598071 RVABARFDFUIAHF-UHFFFAOYSA-N 388.834 2.914 0 40 GFAB N#Cc1ccc(OC[C@H](O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 15240444 CKSTVOMJXFSWLU-LLVKDONJSA-N 391.210 2.901 0 40 GFAB Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100557658 WDTQHPVAXAGVJS-CZKCSJLSSA-N 395.455 2.553 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N3CCC[C@@H](C)C3)n2C)cc1OC 904678 OSLOYWJHVVMQCN-CYBMUJFWSA-N 390.509 2.850 0 40 GFAB CNc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)oc2ccccc12 6823174 NAUGUOXILZQXJC-ZDUSSCGKSA-N 377.400 2.826 0 40 GFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OC)cc2OC)C1=O 6879594 GZNCRESOWWUASE-AUWJEWJLSA-N 398.868 2.920 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c(Cl)c1 32901254 HEJQIUGNIGKNCO-UHFFFAOYSA-N 396.852 2.654 0 40 GFAB COC(=O)[C@@H](C)CN(C)Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S 32926918 RPGORHBNQGTMQD-NSHDSACASA-N 381.454 2.588 0 40 GFAB CCn1ccc(-c2cc(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)c3c(C)noc3n2)n1 101545850 IIVHNQWIFZDTIP-HUUCEWRRSA-N 394.479 2.770 0 40 GFAB O=C(CSc1ncnc2c1cnn2CCO)Nc1cccc(C(F)(F)F)c1 646723 LYEGDZLPUOXGBC-UHFFFAOYSA-N 397.382 2.568 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CCCn3c(=O)oc4ccccc43)ccc21 22643204 PNNPFIAOZKXZIC-UHFFFAOYSA-N 379.416 2.922 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 47102904 DKDQZSGJYHGTER-AWEZNQCLSA-N 382.493 2.897 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 52412143 ZLLOVCCTFLQAAB-HNNXBMFYSA-N 382.416 2.620 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 23766969 IJHVOODNLUVPRH-UHFFFAOYSA-N 387.379 2.961 0 40 GFAB O=C(CCc1nc2ccccc2o1)NCc1ccccc1CN1CCOCC1 23818550 FXXCXIASORPVAJ-UHFFFAOYSA-N 379.460 2.909 0 40 GFAB CN(C)c1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 24601798 IUMSJIMVNXAHIT-UHFFFAOYSA-N 395.503 2.758 0 40 GFAB O=C(c1cccc(OC(F)F)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 25266319 YQAVDDNBIPETTF-GOSISDBHSA-N 376.403 2.779 0 40 GFAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc2ccccc2s1 25605249 YMPDDNZVTCSMLB-UHFFFAOYSA-N 392.484 2.887 0 40 GFAB O=C(Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)[C@@H]1CCS(=O)(=O)C1 57003971 GHOMFRANVPPAPX-SNVBAGLBSA-N 391.399 2.881 0 40 GFAB COc1ccccc1[C@H](C)N(C)CC(=O)Nc1cccc(S(C)(=O)=O)c1 26334381 JFCUFNVMJJRXGN-AWEZNQCLSA-N 376.478 2.730 0 40 GFAB CCCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 1875172 NQUPVPHSIRRVMC-UHFFFAOYSA-N 382.438 2.554 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 10009094 JHIUGLFWMHDCNO-SFHVURJKSA-N 390.461 2.641 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccnn1C[C@H]1CCOC1 58295455 ANNIUKCOHYTXJB-GFCCVEGCSA-N 377.828 2.525 0 40 GFAB CCOc1ccccc1OCC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 58222818 BBHXWVANTMKQDJ-UHFFFAOYSA-N 378.469 2.980 0 40 GFAB Cc1ccc(CNC(=O)NCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 10366637 XLICDYDGMVJXFQ-UHFFFAOYSA-N 380.452 2.759 0 40 GFAB Cn1cc(-c2nc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)cs2)cn1 45018207 BRJTZYYCIRLYAH-MRXNPFEDSA-N 397.460 2.913 0 40 GFAB CCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@@H]1c1ccc2c(c1)OCO2 28294166 KRTAZZQPZRYFCY-CYBMUJFWSA-N 387.417 2.968 0 40 GFAB COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3323861 GPRPSYHRHORKJM-UHFFFAOYSA-N 380.491 2.920 0 40 GFAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 29355644 VIUFRYZJYQRWGG-LLVKDONJSA-N 382.445 2.948 0 40 GFAB CC(=O)N[C@H](CC(=O)NCCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 12891459 TUOVDCUPBTUBTH-QGZVFWFLSA-N 388.851 2.995 0 40 GFAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NCC(F)(F)F 3417673 AIMFVRVHHGYUIJ-UHFFFAOYSA-N 394.806 2.818 0 40 GFAB Cc1c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)oc2ccc(Cl)cc12 62581664 SBVMHTQGQHMIGM-INIZCTEOSA-N 389.883 2.949 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1 12922995 FTYYVSHYMARWDH-UHFFFAOYSA-N 386.395 2.886 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Br 13142266 MSGLKAUDWZWASN-CQSZACIVSA-N 398.278 2.512 0 40 GFAB CSc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 8890528 SXYARTYOWZGOKU-FQEVSTJZSA-N 381.457 2.741 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1 9486394 KDXGPEACBWYNCU-UHFFFAOYSA-N 397.416 2.646 0 40 GFAB Cc1cc(OCC(=O)NCCCn2ccnc2)c2c3c(c(=O)oc2c1)CCCC3 5207847 JCYLGTWSPQTDFP-UHFFFAOYSA-N 395.459 2.762 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 9479865 VOYXKRHOGWPGPL-UHFFFAOYSA-N 397.431 2.994 0 40 GFAB CCCCOc1ccc(C(=O)NO[C@@H](C)C(=O)NCC(F)(F)F)cc1OC 14016954 NYUYWGFOHYDCRA-NSHDSACASA-N 392.374 2.603 0 40 GFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 65549804 PGIUSDHLQLTCBB-GDBMZVCRSA-N 378.900 2.902 0 40 GFAB CCc1ccc([C@H](C)NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 14138726 HYTAMKJKILAEJO-KBPBESRZSA-N 385.489 2.553 0 40 GFAB CCCCOCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4550699 VOLLIQCRAVWBFN-LJQANCHMSA-N 388.439 2.734 0 40 GFAB O=C(COn1nnc2ccc(C(F)(F)F)cc21)NCCc1ccc(Cl)cc1 5459249 ZSXQEFVLYQSOGU-UHFFFAOYSA-N 398.772 2.891 0 40 GFAB COCCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 4699923 OPAJSCGKBXCYHM-SFHVURJKSA-N 397.431 2.508 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccn2)c1 4749207 BLEPLGHZNBJUAV-SFHVURJKSA-N 392.419 2.618 0 40 GFAB O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1C(=O)NC1CCCC1 6851847 PYLVTDSSRHJLTO-UHFFFAOYSA-N 393.443 2.723 0 40 GFAB CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 71335152 HRIROBUYCMGIAW-QKKBWIMNSA-N 393.443 2.679 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 8075577 XIRPQZHXVURRFG-UHFFFAOYSA-N 399.878 2.804 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3F)C2)Oc2ccccc21 96367572 FIJPGCQJYNICTJ-SFHVURJKSA-N 379.384 2.763 0 40 GFAB O=C(c1cncn1-c1ccccc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 8345385 JIVDVGAHEGWPRP-IBGZPJMESA-N 395.484 2.702 0 40 GFAB C[C@@H](CC(=O)c1ccccc1F)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 95962752 WOQYIBFNBCANDJ-ZDUSSCGKSA-N 398.390 2.563 0 40 GFAB COc1ccc(NC(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cn1 61717459 MMYWCKSTHLHSJV-UHFFFAOYSA-N 382.445 2.675 0 40 GFAB CC(C)c1nc2ccccc2n1CCNC(=O)[C@@H](c1ccccc1)n1cnnn1 504294217 ILPDVFZIGLQPSG-LJQANCHMSA-N 389.463 2.552 0 40 GFAB Cc1nnc2ccc(C(=O)N[C@H]3CCN(c4ccccc4OC(F)F)C3)cn12 507426133 TXMKRJIFFFWJOO-AWEZNQCLSA-N 387.390 2.648 0 40 GFAB CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCN[C@H](C)C3)c(F)cc2c1=O 34165939 GYZIKBVCDQFOAS-LLVKDONJSA-N 391.418 2.589 0 40 GFAB CC1(C)O[C@H]2O[C@H](CNCc3ccc(OCc4ccccc4)cc3)[C@H](O)[C@H]2O1 35572449 SOAWGIFISUHRTO-PLACYPQZSA-N 385.460 2.593 0 40 GFAB COc1cccc(-c2cc3nc4c(c(N5CCN(C(C)=O)CC5)n3n2)CCC4)c1 35315441 NFKYSKFCYGAIRB-UHFFFAOYSA-N 391.475 2.562 0 40 GFAB CCc1csc(-n2cc(C(=O)NC[C@H]3CCCN(CC(C)C)C3)cn2)n1 534265209 XKYNOIFATRNRNJ-OAHLLOKOSA-N 375.542 2.989 0 40 GFAB Cc1cc2nc(CSc3nnc(NC(=O)CC(C)C)s3)cc(=O)n2o1 35426820 IWJKTGHGYYFMAP-UHFFFAOYSA-N 379.467 2.724 0 40 GFAB COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Oc3cccc(C)c3)cn1)CC2 562656332 HODSLSLMBIJBLK-HNNXBMFYSA-N 393.447 2.665 0 40 GFAB CCOc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1 225956218 QCZGMTNQSIUKHA-SFHVURJKSA-N 392.477 2.713 0 40 GFAB CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3ccccc3F)n2)c1 40284897 IREBTUREHHNQEF-UHFFFAOYSA-N 384.367 2.676 0 40 GFAB C[C@@H](NC(=O)C1CCN(Cc2nccn2C)CC1)c1ccc(-n2ccnc2)cc1 43284991 AOBFBOFMCLYKOM-QGZVFWFLSA-N 392.507 2.695 0 40 GFAB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224839112 BSNNKCZYDFLBKF-UHFFFAOYSA-N 391.445 2.768 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(SC(C)C)s2)c1 225167046 SOACIUORBGWBNA-UHFFFAOYSA-N 387.508 2.934 0 40 GFAB COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccco2)c(OC)c1 143742558 OOWFXNSFZDCAJZ-AFHBHXEDSA-N 396.443 2.990 0 40 GFAB Cc1nc(CN2C(=O)COC3(CCN(Cc4ccoc4)CC3)[C@H]2C)cs1 96062276 CZUBAYSTYDKWAS-CQSZACIVSA-N 375.494 2.827 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2[C@H](CN2Cc2ccc(Cl)cc2)C1 96080574 HGSIBYOOHYUPLA-IEBWSBKVSA-N 376.909 2.986 0 40 GFAB CC(C)NC(=O)c1cn(-c2nc(CNc3cccnc3)c3ccccn23)cn1 96267075 CDZYOHIJKYLROH-UHFFFAOYSA-N 375.436 2.665 0 40 GFAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248259031 PTNGMKDWGZALSA-ZQYRFBGISA-N 399.535 2.789 0 40 GFAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC(C(=O)N(C)C)CC2)c1 257293392 QPHJSACITQMNHX-UHFFFAOYSA-N 394.519 2.751 0 40 GFAB CCOC(=O)[C@H](Cc1ccccc1)NC[C@]1(COC)OCCc2ccccc21 589569829 UTEVFMYVABXWLF-JTHBVZDNSA-N 383.488 2.865 0 40 GFAB CC1(C)CN(C(=O)c2nc3ncccn3n2)c2ccc(Br)cc2O1 622987007 PBVXJQHNAGCOAD-UHFFFAOYSA-N 388.225 2.705 0 40 GFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCCc3ccoc3)cc21 90607446 RTRVSAZUPWBJGI-UHFFFAOYSA-N 383.448 2.512 0 40 GFAB CS(=O)(=O)Cc1ccccc1NC(=O)NCc1ccnc(N2CCCC2)c1 58670426 PMZWMJKTENEWTJ-UHFFFAOYSA-N 388.493 2.548 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 11000206 JXAMDPRHAQNAOP-UHFFFAOYSA-N 394.443 2.810 0 40 GFAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCc1ccco1 12389266 USNIOUZEWDGJJB-UHFFFAOYSA-N 380.429 2.726 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2nnc(CC(C)C)s2)no1 12946262 ZLIBOXGGKKUAKQ-SNVBAGLBSA-N 383.499 2.732 0 40 GFAB O=S(=O)(c1ccc(-c2n[nH]c(=S)n2C[C@H]2CCCO2)cc1)N1CCCC1 13534740 RHWDMARSDXRTNQ-CQSZACIVSA-N 394.522 2.571 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C)c1C)c1ccc2c(c1)OCO2 14399607 JGRQAVLNFPHQRT-UHFFFAOYSA-N 390.461 2.827 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cnccn3)CC2)C1 19019834 DNRHVRUZCANKDN-UHFFFAOYSA-N 394.475 2.671 0 40 GFAB O=C(C[C@H]1CCCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292057 MUHSXZFWMSHTEA-CYBMUJFWSA-N 397.401 2.808 0 40 GFAB CCc1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19522908 QDZGZVHOJNCGAX-UHFFFAOYSA-N 382.460 2.701 0 40 GFAB CCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1)CCCC2 19524086 HSVFUBNLYNNIQJ-UHFFFAOYSA-N 381.524 2.913 0 40 GFAB CCCc1cc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)no1 19525273 YIRQGBSIROQBOP-OAHLLOKOSA-N 396.495 2.563 0 40 GFAB COc1ccc(C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)c(OC)c1 19551868 UNRPTRYHLLBXGX-ZDUSSCGKSA-N 379.416 2.570 0 40 GFAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cc1ccccn1 19583464 AFUQUTWFSMXHCD-UHFFFAOYSA-N 381.455 2.505 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@H](Cc2ccc(-c3cccs3)cc2)C1 19589470 YMGDCWKADLRJQH-GOSISDBHSA-N 386.517 2.911 0 40 GFAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(CC2CCCCC2)C3)c(OC)n1 19594728 HDAAURRKEDMYSC-QRTHJKPMSA-N 375.513 2.994 0 40 GFAB COCCN1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(OC)cc2)CC1 19759124 UQICNJAPIBWWPP-UHFFFAOYSA-N 386.496 2.582 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935450 CAJLPXLFRXJQLH-ZDUSSCGKSA-N 388.917 2.808 0 40 GFAB CNC1CCC2(CC1)CN(C(=O)[C@@H](C)Cn1cccn1)Cc1ccccc1O2 19457650 MOTGVCQABRXYTF-QXAHSBQVSA-N 382.508 2.841 0 40 GFAB CCCn1c(CN2CCC(C)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 20681334 JMUFEKIEGJQGID-UHFFFAOYSA-N 378.542 2.929 0 40 GFAB O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)N1C[C@H]2COC[C@@H](C1)O2 573222634 FHIHCBZXVNZKLC-PHIMTYICSA-N 397.205 2.904 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc2ccccc21 1888863698 WPSZQPVBFUUMII-HDICACEKSA-N 382.508 2.938 0 40 GFAB C/C(Cl)=C\Cn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 19893410 JTRIZPKMIMTFEH-XYOKQWHBSA-N 390.896 2.901 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nc3c(F)cccc3s2)CC1 4583518 DVABRADQTPWUKB-INIZCTEOSA-N 399.447 2.924 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3Cl)CC2=O)cc1 9035792 WVEUBFZMUUFJBM-ZDUSSCGKSA-N 394.880 2.680 0 40 GFAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCO)c(C)c1 206597819 MTFOZPBRXURYIH-UHFFFAOYSA-N 389.502 2.798 0 40 GFAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccccc1Br)CCCC2 49404688 XJJBBOSCRFCFNE-UHFFFAOYSA-N 376.254 2.832 0 40 GFAB O=S(=O)(NCCn1cc(-c2ccncc2)cn1)c1ccc(F)c(Cl)c1 575612573 HMGAUBBVGPDQJZ-UHFFFAOYSA-N 380.832 2.716 0 40 GFAB O=C(CCc1nc(-c2ccco2)no1)NCc1ccc(Cn2ccnc2)cc1 30216907 JXJGDCJAHNVYTD-UHFFFAOYSA-N 377.404 2.823 0 40 GFAB O=C(NCCN1CCc2ccccc2C1)c1cc(Br)ccc1O 31338140 HXUFHXFWCKIUJS-UHFFFAOYSA-N 375.266 2.943 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)c(Br)s1 32586054 NYXAUKLEFIESQL-UHFFFAOYSA-N 388.264 2.960 0 40 GFAB COC(=O)Cc1c(C)[nH]c2nc(C(c3ccccc3)c3ccccc3)nn2c1=O 101823657 DJGJAZYNEDJUMC-UHFFFAOYSA-N 388.427 2.622 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C(C)=O)cc1 907194 XVFJYSXVYSGCAG-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 32899213 YLNNDAYEEXYARV-KRWDZBQOSA-N 388.855 2.714 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@H](C)c1ccccc1 3491767 XAQSOOGGNDOUSP-CQSZACIVSA-N 383.477 2.949 0 40 GFAB CCn1ncc(/C=C/C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c1C 2770489 UJUQSRFLUSTKSP-BQYQJAHWSA-N 391.449 2.806 0 40 GFAB CC(C)(C)CC(=O)N1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1 4235848 VDFIXENVEPCTMG-QGZVFWFLSA-N 395.459 2.988 0 40 GFAB biogenic,in-vitro COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6322695 OPJLDJIHVUEFCE-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 6759814 BFGFHFHYJJEWTJ-DCXXXQMHSA-N 398.846 2.531 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3Cl)n(-c3ccccc3CO)cc2n(C)c1=O 33542842 GFGLFMSNZAPDEP-UHFFFAOYSA-N 395.846 2.841 0 40 GFAB COc1cccc(CN(C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 23058463 BCLIZCCPHQYCHP-IBGZPJMESA-N 381.520 2.860 0 40 GFAB Cc1cccc2nc(C(=O)NCC(=O)Nc3ccccc3Br)cn12 12560031 OEXHFIMZUGASPN-UHFFFAOYSA-N 387.237 2.774 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)n(C)c1 24467776 MHHZERBOWQEJIS-AWEZNQCLSA-N 375.494 2.647 0 40 GFAB C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(F)cc2Br)C1 55240500 APFMZNMIZIZSRW-LBPRGKRZSA-N 393.322 2.989 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 25104444 CJDVUTNHAPBMCF-KPZWWZAWSA-N 389.835 2.900 0 40 GFAB COc1ccc(OC)c(NC(=O)Cn2c(SC)nc3ccsc3c2=O)c1 57504877 PGEMKJRJPYHSSW-UHFFFAOYSA-N 391.474 2.836 0 40 GFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113941655 GAPUCNHIIVDHPT-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB CCOC(=O)C[C@@H](NC(=O)COc1ccc(OC)cc1)c1cccc(OC)c1 55536717 GFVJXRZBAPFVMA-LJQANCHMSA-N 387.432 2.893 0 40 GFAB COc1cccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c1 100158986 XRYDTLXEZIHCQZ-WOVMCDHWSA-N 379.464 2.766 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)[C@@H]4C[C@@H]4C)nn3c2O)C1 100234300 GUGSAROJMAAULR-JCKWVBRZSA-N 383.496 2.521 0 40 GFAB COc1cc(NC(=O)c2ccccc2-n2cccn2)ccc1NS(C)(=O)=O 48261430 WVDMTXZREBWHIT-UHFFFAOYSA-N 386.433 2.505 0 40 GFAB CCOC(=O)[C@@](NC(=O)NCCc1ccc(F)cc1)(OCC)C(F)(F)F 2227906 ORMZCPVHFVOYBW-OAHLLOKOSA-N 380.338 2.526 0 40 GFAB Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1 3365328 CJMBHTREFUJLKL-UHFFFAOYSA-N 393.472 2.712 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2ccccc2)CC1 22934227 JMNIIKPTMYXYEA-UHFFFAOYSA-N 394.519 2.888 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22539363 SMGCUNOTPMFIHC-KGLIPLIRSA-N 394.468 2.687 0 40 GFAB O=C1c2ccccc2C(=O)N1CCSc1nnc(N2CCCC2)n1C1CC1 11375039 KMPOOLMXEQYIAF-UHFFFAOYSA-N 383.477 2.602 0 40 GFAB NC(=O)c1nn(CC(=O)Nc2ccccc2-c2ccccc2)c(=O)c2ccccc12 12822062 BIRXUBMDHPMXHG-UHFFFAOYSA-N 398.422 2.801 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)c1 12888244 FSNKPTKANOHPAO-UHFFFAOYSA-N 376.409 2.830 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1 3463574 WYBGLVGRTVULIB-UHFFFAOYSA-N 386.452 2.618 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2cccc(Cl)c2)C1=O 3445371 UUADEJSKJLTPQX-IBGZPJMESA-N 388.807 2.915 0 40 GFAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)Cc2ccccc2)cc1 67896649 AGRNECKNVDMCOP-NFBKMPQASA-N 396.487 2.785 0 40 GFAB biogenic,in-vitro Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCc1ccc(C(C)C)cc1 12925612 YODJYAYBHMPCGV-UHFFFAOYSA-N 380.496 2.738 0 40 GFAB O=C(O)Cc1csc(NC(=O)COc2ccc(F)cc2Br)n1 13404985 QNDNJVSYJKBAQH-UHFFFAOYSA-N 389.202 2.689 0 40 GFAB NC(=O)COc1cccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 63886784 SGCPXRXQUJFJDK-UHFFFAOYSA-N 379.199 2.654 0 40 GFAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 17861192 LLLDLSINPCIPPU-GOSISDBHSA-N 388.533 2.755 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1 408551767 ITXSBSCPXWGFMF-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB COc1ccccc1C(=O)OCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 5078776 SIDWJCZWXORDNU-UHFFFAOYSA-N 384.432 2.532 0 40 GFAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8723371 WEEBURDEMPVQFO-BOLDSZDNSA-N 399.472 2.715 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1 6113122 MCCTWDPTOYMIFE-UHFFFAOYSA-N 394.522 2.701 0 40 GFAB COc1ccc(COn2c(=O)c(-c3ccco3)[n+]([O-])c3ccccc32)cc1OC 5274836 PJKIOIOVESQSNV-UHFFFAOYSA-N 394.383 2.541 0 40 GFAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 14171492 FAKXPIYNVWSBAH-MRXNPFEDSA-N 381.432 2.946 0 40 GFAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 14200076 JXLYVJFKRUGDPF-JTQLQIEISA-N 385.401 2.889 0 40 GFAB COCCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 4699925 UGQWCTNOLKENKZ-SFHVURJKSA-N 397.431 2.508 0 40 GFAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(F)cc2)cc1 19170034 HNVIFFAQTNUKSF-ZCNNSNEGSA-N 379.435 2.924 0 40 GFAB COc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1OC 19211000 WBFLZRZWVAVOFG-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB C[C@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 66831738 OBZJYDMJYCAKDH-HNNXBMFYSA-N 395.459 2.809 0 40 GFAB O=C(CSCc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 5937990 UXTPXBCKSQGYIF-UHFFFAOYSA-N 396.559 2.514 0 40 GFAB CC(C)(C)n1cc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cn1 96005112 YLUOPNSHKPVESG-KRWDZBQOSA-N 390.509 2.685 0 40 GFAB Cc1cccn2c(=O)cc(COC(=O)c3cc(Br)ccc3O)nc12 7133061 OACSCECVWBSTKD-UHFFFAOYSA-N 389.205 2.828 0 40 GFAB CCOc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842950 MMVOKZLAHXEZPW-CYBMUJFWSA-N 388.445 2.650 0 40 GFAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 7776290 PCUOQUYYFYLZIK-AWEZNQCLSA-N 386.521 2.868 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)N1CC(=O)Nc2ccccc21 9340628 HCMRDCDYCSLCNY-HOTGVXAUSA-N 394.475 2.681 0 40 GFAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 9643313 OYLMKEDTUXVQBU-UHFFFAOYSA-N 384.461 2.650 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC 408696456 BOVZFDQGCKGKQJ-UHFFFAOYSA-N 390.461 2.838 0 40 GFAB CN(c1ccccc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)C1CCCC1 95460987 OZLPHUJHPUJPBM-OAHLLOKOSA-N 394.541 2.598 0 40 GFAB CC(=O)N(CCC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)Cc1ccccc1 95410198 JMBMKPPQTHWKSS-GOSISDBHSA-N 383.496 2.791 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)Oc2ccccc21 20452471 BBAOXMDZQCYUNF-OAHLLOKOSA-N 384.816 2.645 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 408584721 UDLWSOLHJQODKR-UHFFFAOYSA-N 382.526 2.981 0 40 GFAB CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 409388447 IICOZBZXRASIIS-UHFFFAOYSA-N 376.478 2.643 0 40 GFAB COC[C@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 408622825 VZMXBUFUSVALJY-HNNXBMFYSA-N 376.478 2.585 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)c1 30498203 DDPVNNPBJDDAII-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(SC)cc2)cc2c(O)nnc1-2 524734997 YBUURTRAYUPCLT-AWEZNQCLSA-N 387.417 2.661 0 40 GFAB O=C(COC[C@H]1CCCO1)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 72374269 AKNHLUIBAUWLSP-GOSISDBHSA-N 397.479 2.517 0 40 GFAB Cc1ccccc1-n1nnnc1C1(N2CCOCC2)C2CC3CC(C2)CC1C3 35606484 QSHMOEUYRMLOJV-UHFFFAOYSA-N 379.508 2.954 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)cc1 72347337 JJNOEIXHULFSFZ-HNNXBMFYSA-N 395.507 2.935 0 40 GFAB Cc1cc2c(N)nc(=O)n(CC(=O)c3ccc(Br)cc3)c2s1 40267023 SMSLEESXUJEUMW-UHFFFAOYSA-N 378.251 2.994 0 40 GFAB O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1cc(F)ccc1F 49388910 DOIVQSPNCZMAKH-UHFFFAOYSA-N 375.331 2.574 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCc2cccnc2)c1 224170293 BFRQCSPNYXFPNG-UHFFFAOYSA-N 399.447 2.976 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 222630662 VDJNKWBHJMRARZ-HNNXBMFYSA-N 388.489 2.730 0 40 GFAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@@H](C)CCc1ccccc1 225883891 HJLKABXHHCMKLO-LBPRGKRZSA-N 381.523 2.598 0 40 GFAB NC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)cc1 40285575 TXOYKDZRTTUKSW-UHFFFAOYSA-N 382.347 2.709 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 222821005 GCUSVRVLCJBIHQ-OAHLLOKOSA-N 398.459 2.520 0 40 GFAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 223991941 FGOGLKKKSTUMOI-UHFFFAOYSA-N 392.502 2.682 0 40 GFAB O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Oc2cc(O)ccc21 225819395 CQWQPTBOHRIMOJ-UHFFFAOYSA-N 381.384 2.761 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCOC3CCCC3)ccc21 225696578 ZDQVEBHWLQQQHA-UHFFFAOYSA-N 384.523 2.711 0 40 GFAB Cc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)c(-n2cnnn2)c1C 96345193 GUCQMLIWTSQXKS-UHFFFAOYSA-N 375.436 2.518 0 40 GFAB Cc1c(Cl)cncc1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 583548668 VHIJAPRERIZDBR-SUMWQHHRSA-N 376.892 2.982 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 96903930 FIRCNUMGFTTXGC-GRXQJBFDSA-N 398.846 2.722 0 40 GFAB COc1ccc(-c2nn([C@H](C)C(=O)Nc3cc(C)ccn3)c(=O)cc2OC)cc1 96101013 PYQMNBXPDQRARN-CQSZACIVSA-N 394.431 2.831 0 40 GFAB CCc1cccc(C)c1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 244064155 UAKXDHXXQRZDHX-UHFFFAOYSA-N 376.478 2.971 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 257246601 IUVLMJRAYBTUSG-INIZCTEOSA-N 390.447 2.577 0 40 GFAB CCc1ccc([C@H]2CN(CC(N)=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]23)cc1 257256063 KJYDSFRAYQKPLN-GUDVDZBRSA-N 387.524 2.759 0 40 GFAB Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)NCCc1ccc2c[nH]nc2c1 585081364 MYAPEBPJGQGNDM-QGZVFWFLSA-N 397.479 2.525 0 40 GFAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3ccccn3)CC2)nn1C 257259533 KYUAHIKVBKCZOJ-IYARVYRRSA-N 397.523 2.839 0 40 GFAB CO[C@@](C)(C(=O)O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 663034532 GZEXKFZBDKGJGN-SWLSCSKDSA-N 380.199 2.522 0 40 GFAB O=C(O)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccc(Br)cc1 1615208044 QUZMJFRPXIHNOT-NEPJUHHUSA-N 381.251 2.846 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)cc1 575403078 IJTUDEAWSKPPSD-KRWDZBQOSA-N 390.530 2.855 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(F)C1)C2 585107024 OMHMSTCXBRYQJR-CPAJTMIGSA-N 384.455 2.514 0 40 GFAB Cc1cc(=O)c(C(=O)NO[C@H]2CCCCO2)nn1-c1cccc(C(F)(F)F)c1 58415961 VWOMQTMYDONRBA-HNNXBMFYSA-N 397.353 2.748 0 40 GFAB COC(=O)CC1(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCCCC1 78974583 XAPLNCQEOTXQPY-UHFFFAOYSA-N 387.885 2.739 0 40 GFAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 5003332 XNLJSIRILUWBFM-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CC(=O)Nc1nc(N)nc2c1C[C@H](N(Cc1ccc(Cl)cc1)C(C)=O)CC2 5639871 ZFBWWJSFJREVFA-OAHLLOKOSA-N 387.871 2.577 0 40 GFAB CCCn1c(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)nc2ccccc21 12116261 GYCUOASUVZHNMB-UHFFFAOYSA-N 392.507 2.688 0 40 GFAB OC1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)CC1 12186422 RCITVXSMWKYDLK-UHFFFAOYSA-N 382.445 2.957 0 40 GFAB COc1c2c(cc3c1[C@H](C[C@@H](O)[C@@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 12662727 TWOLFEWIKVSGFO-OWCLPIDISA-N 377.481 2.909 0 40 GFAB biogenic O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSc1ccc(Cl)cc1 13688738 QVDRQEJGLUIVDB-IYBDPMFKSA-N 392.908 2.890 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 14099697 DOPMHXPEDXJZIK-UHFFFAOYSA-N 378.372 2.849 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347249 NKCYKKGNXVUXQE-UHFFFAOYSA-N 377.400 2.672 0 40 GFAB O=C(CCn1ncc2ccccc21)N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1 19376596 DTZCVUTZSTWSSI-GOSISDBHSA-N 387.447 2.970 0 40 GFAB CC[C@H](CN1CCOCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 19500400 ZDECVRHBCDVPOX-CQSZACIVSA-N 377.485 2.719 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 19557019 GTKUZEPMFXDQDC-UHFFFAOYSA-N 390.509 2.581 0 40 GFAB CN(C(=O)Cc1cccnc1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586686 NFKOVPJXHGSEAG-UHFFFAOYSA-N 379.460 2.586 0 40 GFAB CN1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 19590394 BXWUTIHUGQVDAL-QGZVFWFLSA-N 382.483 2.942 0 40 GFAB Cn1cnc2cc(C(=O)Nc3cccc(N4CCCCS4(=O)=O)c3)ccc21 19665897 YMUBYKXXOMKIDB-UHFFFAOYSA-N 384.461 2.756 0 40 GFAB c1ccc(-c2ccc(CN3CCC[C@H](c4nnc5n4CCNCC5)C3)cc2)nc1 19709366 JKCZQEUQQJZGMJ-FQEVSTJZSA-N 388.519 2.865 0 40 GFAB CCOc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O 3659293 JRAXBTSBMHLCLC-LFIBNONCSA-N 395.415 2.631 0 40 GFAB CN1CCC2(CC1)CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1O2 12142615 BSMVJEDDJBJAOR-UHFFFAOYSA-N 397.450 2.763 0 40 GFAB O=C1[C@@H]2CN(c3ncc(C(F)(F)F)cc3F)C[C@@H]2C(=O)N1Cc1ccccc1 1888876497 IKZJZJHVUIPZRY-OKILXGFUSA-N 393.340 2.861 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1889073538 WPGXYSROBFNQOK-SFHVURJKSA-N 398.850 2.622 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889205344 KOKGRAKOZBLLLG-GDBMZVCRSA-N 377.897 2.943 0 40 GFAB COc1cccc(CC(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1142842262 IUWJUUDMUNOJFH-UHFFFAOYSA-N 394.471 2.662 0 40 GFAB CN(c1ccncn1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 1776009794 REUSDEPBNBYSEJ-UHFFFAOYSA-N 380.901 2.561 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(OC3CCOCC3)nc1)CC2 252548557 QBZQFVXZZZKVDT-UHFFFAOYSA-N 398.459 2.855 0 40 GFAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542921 IEXGXMMAYDVUKM-IRLDBZIGSA-N 399.466 2.773 0 40 GFAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 4249510 FMFXLDMHFZBRJR-CQSZACIVSA-N 381.480 2.649 0 40 GFAB Cn1c(=O)c2c(SCc3ccccn3)nc(C3CCCCC3)nc2n(C)c1=O 9517478 RZCIQZNDRSEVRR-UHFFFAOYSA-N 397.504 2.762 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CCCC1 22907267 UGPZYAHIFMQQFL-IBGZPJMESA-N 381.476 2.554 0 40 GFAB COc1ccc(CN2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1F 1889133911 PLWFZHRMHLDZQA-UHFFFAOYSA-N 385.487 2.855 0 40 GFAB COc1cccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2C[C@H]2CCCO2)c1 101113834 ZVFSPHSCISGGJA-KGWRKDBXSA-N 394.431 2.650 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)N[C@H](c1cccnc1)C1CCOCC1 225618733 MLDFITKDNGDDMB-FQEVSTJZSA-N 388.489 2.530 0 40 GFAB O=C(Nc1ccccc1C(F)(F)F)C1CN(c2cc(-n3ccnc3)ncn2)C1 575610088 SGMLPYUJGNKNJN-UHFFFAOYSA-N 388.353 2.756 0 40 GFAB O=C(NCc1nc2ccccc2s1)c1cccc(N2CCCS2(=O)=O)c1 40032361 IGZLBCGCPLLXER-UHFFFAOYSA-N 387.486 2.766 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)nc1n2CCOC1 40286785 MXEMSJKISWAKBB-IBGZPJMESA-N 381.388 2.865 0 40 GFAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1 40268785 CCGQVPLVHYCBEF-IBGZPJMESA-N 388.443 2.939 0 40 GFAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2cccc3ccccc23)c1 31147785 WNQMGXSPBVZBLO-UHFFFAOYSA-N 384.457 2.977 0 40 GFAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C(=O)c2cccs2)CC1 32759719 ZVGCDXAWFGAAAE-GFCCVEGCSA-N 378.885 2.582 0 40 GFAB Cc1cccc(OCCNC(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 32802218 ZLJUDLSBEKNGPZ-OAQYLSRUSA-N 383.492 2.747 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 6324148 YLPOGJRZKCYDGI-UHFFFAOYSA-N 375.450 2.586 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7429620 BJPGEIPCTWZDJX-QGZVFWFLSA-N 394.427 2.732 0 40 GFAB CC(=O)N1CCN(C(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)CC1 32901450 VRXUTFKIYWCYFK-VOTSOKGWSA-N 385.489 2.734 0 40 GFAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1ccc(Cl)cc1 8732509 AIDOMEYLQHNIHH-LBPRGKRZSA-N 388.807 2.795 0 40 GFAB COc1ccc(CNS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)cc1OC 101018457 ZWRXMUKUJAIOEJ-KUHUBIRLSA-N 381.494 2.519 0 40 GFAB Cc1cccc(CN2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)c1 22227472 ZZAFAQPHWFJTGQ-UHFFFAOYSA-N 386.517 2.503 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1OC 9329274 IUYXYGFSMVLYIM-QGZVFWFLSA-N 382.460 2.990 0 40 GFAB COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)nc2ccccn2c1=O 96117521 MCHWSBWVNUGPIQ-ZDUSSCGKSA-N 390.342 2.697 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 12409163 BJWHEOZDOALLBM-CYBMUJFWSA-N 376.869 2.951 0 40 GFAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 917458 UKDLZENEZYSDDM-UHFFFAOYSA-N 398.444 2.928 0 40 GFAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1OC 915063 ITGIUNDXSXBBPR-GOSISDBHSA-N 392.419 2.618 0 40 GFAB CCc1ccccc1NC(=O)[C@H](Cc1cc(OC)ccc1OC)c1nnn[nH]1 931792 JTLJWFQDQFGLTA-MRXNPFEDSA-N 381.436 2.744 0 40 GFAB CC(C)n1ncc2c(C(=O)NC[C@H]3COCCO3)cc(-c3ccccc3)nc21 54618967 UADNGRDYIUBQRJ-INIZCTEOSA-N 380.448 2.824 0 40 GFAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24476674 DDIVFXPAMUKRPF-UHFFFAOYSA-N 390.486 2.792 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C 24862446 USNHSWZAWZHBGB-UHFFFAOYSA-N 388.489 2.808 0 40 GFAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccccc1-c1ccccc1 47852870 ZYKBJMYRSVTPEX-UGKGYDQZSA-N 380.488 2.821 0 40 GFAB Cc1cc(C(=O)COC(=O)C[C@@H]2Oc3ccccc3NC2=O)c(C)n1C1CC1 23267936 XYVZARDFKSJRMO-IBGZPJMESA-N 382.416 2.956 0 40 GFAB CC1([C@@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)OCCO1 118926416 KZHAEHCUKWOTPE-CFKAAXFCSA-N 394.552 2.855 0 40 GFAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12625950 NHMJNEFHOJIJHB-OAQYLSRUSA-N 388.471 2.596 0 40 GFAB C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@@H](C)O1 48237107 JZTFKLHTJOCROK-FRRDWIJNSA-N 397.855 2.682 0 40 GFAB Cc1noc(-c2csc(S(=O)(=O)Nc3ccccc3C(N)=O)c2)c1C 44920983 BWOYAQJNTUGTJV-UHFFFAOYSA-N 377.447 2.920 0 40 GFAB COc1cc(Cl)c(NC(=O)CNC(=O)NCc2ccccc2)cc1OC 10592647 WDQWDXZGQVYDMF-UHFFFAOYSA-N 377.828 2.795 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 2231687 PKKBMTLOABJGHM-UHFFFAOYSA-N 390.465 2.785 0 40 GFAB CCc1cccc(C)c1NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 59020633 GVGTUPAZJJPRAK-UHFFFAOYSA-N 379.464 2.887 0 40 GFAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1 12762082 NTGNJOQPGKXZRX-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCc1nnc2ccccn12 12779750 TWQGKTPLQJJZLZ-SFHVURJKSA-N 393.491 2.541 0 40 GFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 45833996 MJDIHDOBNQTJOK-VLIAUNLRSA-N 398.434 2.775 0 40 GFAB CCCCOc1ccc(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1 12814029 PRXBONGEQPYXPR-UHFFFAOYSA-N 382.526 2.847 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402299 GVGWJRLOMQGODV-UHFFFAOYSA-N 375.498 2.717 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)NCCc2cccc3cccnc23)cc1F 48404713 WSJSLRVZTVJTRW-UHFFFAOYSA-N 394.450 2.954 0 40 GFAB Cn1c(S)nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc2c1=O 17296242 AETPKOINSSXROR-UHFFFAOYSA-N 378.457 2.676 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 12997896 DHKGVFCBWHDIFN-AWEZNQCLSA-N 376.409 2.917 0 40 GFAB Cc1ccccc1OCCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 12925401 DTJOSABSSNOEPD-QFIPXVFZSA-N 394.427 2.526 0 40 GFAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNCc3ccco3)cc12 3655838 NGKRIWIYKJRXRD-HNNXBMFYSA-N 386.448 2.786 0 40 GFAB CCOc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38834321 OKUNUHYOTYQMNL-GOSISDBHSA-N 390.461 2.559 0 40 GFAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 13362674 CWDGFMRCDPENDT-UHFFFAOYSA-N 394.424 2.807 0 40 GFAB Cc1ccccc1N[C@@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 9338827 QYVNPZWEMZQVJB-MRXNPFEDSA-N 395.440 2.725 0 40 GFAB CC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 6085729 VQBAKHWCUHGKKU-YPMHNXCESA-N 378.416 2.773 0 40 GFAB Nc1c(C(=O)Nc2ccccc2)sc(=S)n1CCCN1CCOCC1 13720908 LCVXGKMHRZLLAQ-UHFFFAOYSA-N 378.523 2.836 0 40 GFAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccccc2)s1 5151197 LQYNCNFKORDCDB-UHFFFAOYSA-N 388.445 2.589 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)CN1C(=O)CC2(CCCCC2)C1=O 14183180 VHAWOOYYRAZTMV-UHFFFAOYSA-N 377.872 2.877 0 40 GFAB COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1S(N)(=O)=O 6560212 GZBAVJCRAHQZEG-UHFFFAOYSA-N 386.882 2.727 0 40 GFAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccco1 4747542 BGBSHEFIGYVSSD-UHFFFAOYSA-N 397.504 2.999 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(F)cc1Cl 6886937 QCLMXFWIHCESIK-UHFFFAOYSA-N 382.750 2.530 0 40 GFAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccccc1F 9060571 AFWOLJMMZOMIPA-SFHVURJKSA-N 375.425 2.895 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CC[C@@H]2CCCC[C@H]2C1 9155964 BAHVXDOUBXOSCJ-IRXDYDNUSA-N 391.475 2.621 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)c1ccco1 7990688 JPHXJCXUHIQMHK-KRWDZBQOSA-N 392.411 2.666 0 40 GFAB O=C(NCC1CCC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 72004256 VLHMBKSSMHIEFR-KRWDZBQOSA-N 390.530 2.780 0 40 GFAB CC(C)[C@H](NC1CCOCC1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl 72312521 GKZSCYUGGXKGIV-KRWDZBQOSA-N 386.851 2.754 0 40 GFAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OCC(N)=O 72406419 IGEXHBIMDRJLFA-AWEZNQCLSA-N 396.403 2.521 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(OC)c(O)c2)CC1=O 79109844 SPUZJNPKCLYWQW-INIZCTEOSA-N 398.459 2.811 0 40 GFAB CCOc1cc(C(=O)NCc2cccc(=O)[nH]2)ccc1OCc1cccnc1 95458595 RXJPHTSKODRGST-UHFFFAOYSA-N 379.416 2.678 0 40 GFAB CCCCNC(=O)[C@@H]1CSCN1C(=O)c1oc(Br)cc1C 95957817 DJGWZXSKWXPQSP-JTQLQIEISA-N 375.288 2.782 0 40 GFAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 9959057 OMNFANKRNCPBHU-IBGZPJMESA-N 388.489 2.589 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(F)cc2)cc1C 20016353 LAZKCVIRSVHFOL-CQSZACIVSA-N 394.468 2.516 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 57470649 OQFQIYSEMINQAA-IFXJQAMLSA-N 387.480 2.741 0 40 GFAB O=C(Cc1cncn1Cc1ccccc1)N1CCCN(CC(F)(F)F)CC1 548413549 SIGBEHRNGFEQIO-UHFFFAOYSA-N 380.414 2.571 0 40 GFAB C[C@@H]1CN(c2nc(O)c3cnn(C(C)(C)C)c3n2)CCN1Cc1ccccc1 514845823 DJKDWASFJJPUJE-OAHLLOKOSA-N 380.496 2.998 0 40 GFAB N[C@@H](Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)O 2387178 SXQVOFSDWXYIRP-ZDUSSCGKSA-N 399.184 2.744 0 40 GFAB biogenic,in-vitro CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(F)ccc1OC 39986319 FQOVNENOGKIQPK-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB CCCc1ccc(S(=O)(=O)NC(=O)c2cn(C)nc2C(F)(F)F)cc1 120935810 PCWKBDTYFVJVFK-UHFFFAOYSA-N 375.372 2.510 0 40 GFAB Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)c1ccccn1 72391172 PGQUFWFLADXUQA-UHFFFAOYSA-N 390.422 2.915 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCOc1ccccc1 30064012 FXDKHZYTQJOXRF-UHFFFAOYSA-N 388.489 2.685 0 40 GFAB Cc1ccc2cc(C)c3nn(CC(=O)Nc4c(C)nn(C)c4C)c(=O)n3c2c1C 72346878 BPUPXOPMWPXIJM-UHFFFAOYSA-N 392.463 2.564 0 40 GFAB CCn1cc(C(=O)N2CCC[C@@H](n3nc(-c4ccco4)ccc3=O)C2)c(C)n1 72334921 TXNQSOFSZVMYBP-OAHLLOKOSA-N 381.436 2.505 0 40 GFAB C[C@@H]1CN(C(=O)NCCn2c3ccccc3c3ccccc32)CCS(=O)(=O)C1 565811951 CTDBRDCJFAUABC-MRXNPFEDSA-N 399.516 2.871 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 223587001 JGOXXYFDXGKERK-MOPGFXCFSA-N 382.464 2.976 0 40 GFAB COc1ccc(NC(=O)[C@H](C)n2cccc2)cc1N1CCCCS1(=O)=O 575444001 MSAXRVMUHZRART-AWEZNQCLSA-N 377.466 2.626 0 40 GFAB Cc1nc(Cn2cc(C(=O)N3CC4(CCCC4)[C@@H]3c3ccccc3)nn2)no1 577936907 AFNAKLRDKLDCFS-SFHVURJKSA-N 378.436 2.775 0 40 GFAB CCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242253 XIYKEWAZNCGFIT-SFHVURJKSA-N 383.536 2.608 0 40 GFAB COc1ccc(CCn2cc(C(=O)Nc3nc[nH]n3)c3ccccc3c2=O)cc1 95474873 AVPDZUJMXPSQPU-UHFFFAOYSA-N 389.415 2.623 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230508 TUCKQRDULDVKFJ-VDVULAQNSA-N 396.418 2.598 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2c2ccccc23)cc1F 585080772 JGCKILMJOKIWRZ-PXAZEXFGSA-N 391.420 2.912 0 40 GFAB Cc1c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)nnn1[C@H]1CCNC1 662443638 VBWORWIWVSVMDF-JTQLQIEISA-N 389.872 2.545 0 40 GFAB Cc1cc(CNC(=O)c2cccc(CN3CCOCC3)c2)cc(N2CCCC2)n1 685896555 RQJHELQTCZGMOC-UHFFFAOYSA-N 394.519 2.752 0 40 GFAB O=C(c1cc(N2CCCC2=O)ccc1F)N1CCCN(c2ccncc2)CC1 640445680 CGXXAYILHVFXIF-UHFFFAOYSA-N 382.439 2.700 0 40 GFAB O=C(c1ccc(F)c(F)c1F)N1CCC(n2cnc3ncccc3c2=O)CC1 390829835 GXYFHMMGWGFPNJ-UHFFFAOYSA-N 388.349 2.686 0 40 GFAB CCN(CC)Cc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 56792834 MSSHUGYZLBOJRG-UHFFFAOYSA-N 395.551 2.605 0 40 GFAB O=C(c1ccc(OC2CSC2)cc1)N1CCC[C@@H](c2ccnc3ncnn23)C1 12118829 LKBKQERKIIFSLE-OAHLLOKOSA-N 395.488 2.638 0 40 GFAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)n1cnc2ccccc21 12145376 ABHPIIMFOZKUBJ-WBVHZDCISA-N 389.459 2.902 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)C1 14607433 YIEFTPDPRPLHBN-QFBILLFUSA-N 380.444 2.747 0 40 GFAB Oc1cc(CSc2nnnn2-c2ccccc2)nc2nc3ccccc3n12 18222976 JSFDJLMQAYNKHD-UHFFFAOYSA-N 375.417 2.856 0 40 GFAB CCc1onc(C)c1C(=O)N1CCO[C@H](c2nc(Cc3cccs3)no2)C1 19521136 BQUOOXFYSCOHPM-AWEZNQCLSA-N 388.449 2.794 0 40 GFAB O=C1C[C@H](C(=O)O)c2c(nc(Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)N1 19961316 PMPDCEXADMPHOY-AWEZNQCLSA-N 392.371 2.816 0 40 GFAB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 6326846 CSSUEGDKUDCFJW-VGOFMYFVSA-N 394.405 2.839 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@H]2CC=CCC2)CC1 12187223 ZIMVOXAMGJCADN-KRWDZBQOSA-N 395.503 2.669 0 40 GFAB Cc1nnc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)s1 5054303 OQKVTEHFZHBCPC-UHFFFAOYSA-N 377.900 2.634 0 40 GFAB O=C(c1cccnc1O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897056 ZOVWCXCVWZDEIN-UHFFFAOYSA-N 393.447 2.639 0 40 GFAB Cn1c(=O)n(CCC(C)(C)O)c2cc(N=c3[nH]c(Cl)ncc3Cl)ccc21 1857524132 NKMQWLPBEJJYCN-UHFFFAOYSA-N 396.278 2.763 0 40 GFAB Cc1cccc(CN2C(=O)CCC23CCN(C(=O)Cc2ccc(F)cn2)CC3)n1 1565542795 SRBTZEZESMIKJK-UHFFFAOYSA-N 396.466 2.650 0 40 GFAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1cccc(Cl)c1 4250663 YCASEZUFJGHNER-UHFFFAOYSA-N 385.855 2.756 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1ccc(OC)cc1 4934929 QEZARKXWIPMGCN-IBGZPJMESA-N 392.415 2.526 0 40 GFAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)c2ccccc2S1(=O)=O 4940729 KISXNHQGBSVTLG-JTQLQIEISA-N 398.362 2.877 0 40 GFAB Cc1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O 4905964 JCYXTDZWIGDLCP-UHFFFAOYSA-N 377.444 2.520 0 40 GFAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccco2)o1 10218988 AZZITWZEECKSIJ-UHFFFAOYSA-N 379.369 2.661 0 40 GFAB O=C(Cc1noc2ccccc12)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575616118 HBWFKTKGHGFZDY-OAHLLOKOSA-N 388.427 2.944 0 40 GFAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1 585503423 QRVZCMVJKIFJIY-UHFFFAOYSA-N 380.370 2.518 0 40 GFAB O=C(CNC(=O)NCc1cnn(-c2ccccc2)c1)Nc1ccc(F)c(F)c1 40068939 WMAPDGLGPXGPQM-UHFFFAOYSA-N 385.374 2.588 0 40 GFAB COc1ccccc1OCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 40094655 RXBONTIOOBKXFU-UHFFFAOYSA-N 396.487 2.814 0 40 GFAB CCN1CCN([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441808 UOIPUVKKBLCBKB-QZTJIDSGSA-N 385.961 2.567 0 40 GFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1 32081051 FZWVAHAZJRPXMG-LLVKDONJSA-N 394.836 2.578 0 40 GFAB Cc1cccc(OCc2nnc(SCn3nnc4ccccc4c3=O)o2)c1 2663992 YCDBNAWNULHPER-UHFFFAOYSA-N 381.417 2.812 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1 790453 LMBOHDAHBVIIKQ-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)N1CCCCC1 4161457 LCTMFTNDCFMAIZ-CQSZACIVSA-N 376.482 2.822 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CCn2nnc3ccccc3c2=O)cc1 21624560 RQCMNKNLNNZQQB-IBGZPJMESA-N 378.432 2.554 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 6879717 LWUNFXXMKFPJHW-UHFFFAOYSA-N 396.896 2.724 0 40 GFAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)NC[C@@H]1CCCO1 6948047 UFHFZKXACQJJKI-KRWDZBQOSA-N 388.537 2.861 0 40 GFAB Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)cc1Cl 2780512 NKOLFXBHTYWSDJ-UHFFFAOYSA-N 391.884 2.574 0 40 GFAB CN(C)CCNC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1 8623802 OCXYSDNEUCQBGD-OALUTQOASA-N 390.572 2.634 0 40 GFAB biogenic,in-vitro COC(=O)[C@H](Cc1cn(COCc2ccccc2)cn1)NC(=O)OC(C)(C)C 8654397 BLJLWDUWEJEOAE-KRWDZBQOSA-N 389.452 2.666 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 47102902 DKDQZSGJYHGTER-CQSZACIVSA-N 382.493 2.897 0 40 GFAB O=C(c1nnc2sc(-c3ccccc3Br)nn12)N1CCCC1 57354599 METZRXQPKQPHPC-UHFFFAOYSA-N 378.255 2.851 0 40 GFAB CCOc1cc(CNCCN(C)C)ccc1Oc1nnnn1-c1ccccc1 22937062 JIKSJOUFKNYQDC-UHFFFAOYSA-N 382.468 2.505 0 40 GFAB NS(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)c(Cl)cc1Cl 12429196 GHJSMQCDAMAYID-UHFFFAOYSA-N 391.251 2.752 0 40 GFAB O=C(CNC(=O)NCc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 54648868 JQNKPGZFBZAKKL-UHFFFAOYSA-N 375.812 2.549 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)cc1 55051281 DIWRDUPVMIHSDK-AWEZNQCLSA-N 391.880 2.913 0 40 GFAB COc1ccccc1NC(=O)C(=O)N1N=C(CC(C)C)C[C@]1(O)C(F)(F)F 20059987 HYCRMNNPAJWJGN-INIZCTEOSA-N 387.358 2.519 0 40 GFAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 101117205 SNYBQIIVGREIAE-PASDCYSWSA-N 382.840 2.506 0 40 GFAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2n1 27379051 SHFPLNOXKTVECI-INIZCTEOSA-N 393.447 2.880 0 40 GFAB O=C(NCCS(=O)(=O)Nc1ccccn1)Nc1ccccc1C(F)(F)F 72288955 PWEZLOXHUQGUCG-UHFFFAOYSA-N 388.371 2.664 0 40 GFAB COC(=O)c1cnc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)s1 21483762 WFMCVHDLMDHINI-UHFFFAOYSA-N 394.474 2.655 0 40 GFAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 10053840 VXANRUNZSPOQKH-LJQANCHMSA-N 388.489 2.874 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 26526864 KVCBIFZQHIYGQD-UHFFFAOYSA-N 382.825 2.886 0 40 GFAB CCc1ccc(NC(=O)CSc2c(C)nn(-c3nnc(C)c(O)n3)c2C)cc1 27756620 DJHGRYOTSXLWEL-UHFFFAOYSA-N 398.492 2.981 0 40 GFAB N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 2241795 RZJVPPDGFVCJAL-HNNXBMFYSA-N 377.853 2.939 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)sc(C)c1C 3436772 RWZCPQRXLJMXKW-UHFFFAOYSA-N 391.401 2.676 0 40 GFAB O=C(CSc1nnc(NC2CC2)s1)N[C@@H]1CCN(Cc2ccccc2)C1 12903544 VOVYRTJUNOZJOR-OAHLLOKOSA-N 389.550 2.595 0 40 GFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 63240837 XJZGJIAKBSLWST-UHFFFAOYSA-N 384.360 2.525 0 40 GFAB C[C@@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)Nc1ccc(CCO)cc1 13569721 ZVOMZVZKSGXFFN-SECBINFHSA-N 377.857 2.660 0 40 GFAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(S(C)(=O)=O)s1 13623604 GRIRBGRTYJWAJO-LURJTMIESA-N 396.277 2.654 0 40 GFAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(Br)cc1F 13736043 OUEIQLOUQJDCHM-UHFFFAOYSA-N 394.204 2.611 0 40 GFAB COc1cccc(CNC(=O)COC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 5403750 LDXJRADXBUHPAP-CSKARUKUSA-N 385.416 2.585 0 40 GFAB CC1CCN(C(=O)CCC(=O)Nc2ncc(-c3ccc4c(c3)OCO4)n2C)CC1 4678868 PCDHNCNTHHSXAS-UHFFFAOYSA-N 398.463 2.793 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1C 4778288 YFPJLRICCWFDNM-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)Cn1cnc2ccccc2c1=O 8774344 GJFBLMINOIHIOS-UHFFFAOYSA-N 376.460 2.655 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1C 5886953 ZKHIRNMZTRDGGR-UHFFFAOYSA-N 377.466 2.645 0 40 GFAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1Cl 4986952 KBHJZGQQTVXZBX-INIZCTEOSA-N 382.844 2.945 0 40 GFAB CCCOc1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)ccc1Cl 4988141 AREPYAUJBKABQN-UHFFFAOYSA-N 390.889 2.592 0 40 GFAB COc1ccc(CCn2c(=O)c3sccc3n3c(S)nnc23)cc1OC 67349556 JHJLKQDVVNFDFC-UHFFFAOYSA-N 388.474 2.654 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccc2ccccc2n1 7203429 DMIAZRIBPSEBFB-ZDUSSCGKSA-N 388.420 2.784 0 40 GFAB COc1ccc(C(=O)N(C)Cc2sccc2C)cc1S(=O)(=O)NC1CC1 7642319 PTAABVXWPZJFDU-UHFFFAOYSA-N 394.518 2.778 0 40 GFAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OC(C)C)cc2)o1 96114504 YVNYKEQRXADSJB-MRXNPFEDSA-N 376.405 2.974 0 40 GFAB biogenic COc1cc(OC)cc(C(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 9303545 LNJZWNXMCMWDPC-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB COc1ccc(C(=O)[C@H]2CCCN2C(=O)c2cc(OC)c3c(c2)OCCO3)cc1 89438677 HQKQEZQDICZZOW-QGZVFWFLSA-N 397.427 2.963 0 40 GFAB CC(C)CO[C@H](C)c1noc(CN2CCN(c3ccc(Cl)nn3)CC2)n1 89840262 UIYIKRJCQAUHOK-CYBMUJFWSA-N 380.880 2.569 0 40 GFAB COC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 36354145 VCDJIVNNAHFGEY-UHFFFAOYSA-N 390.442 2.500 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408617852 DQQXMKONXXVDAK-LLVKDONJSA-N 398.868 2.663 0 40 GFAB O=C(c1cnccn1)N1CCC[C@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 72334893 NUUGCFARZIKGDG-LBPRGKRZSA-N 395.488 2.673 0 40 GFAB CCOC(=O)C[C@@H](c1cccc(C(F)(F)F)c1)c1oc(CO)cc(=O)c1O 71282507 WZIMAPUWWLEFGR-ZDUSSCGKSA-N 386.322 2.942 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 31810115 LIZHRTBEXYSEIC-QGZVFWFLSA-N 376.844 2.673 0 40 GFAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc2c(c1)OCO2 62022947 ZMKZGBHQKPQHEO-ZDUSSCGKSA-N 392.371 2.571 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 72346522 CJFNYVWELBPKSN-ISJRUSPKSA-N 398.478 2.902 0 40 GFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38732577 KUZAMPNMQTZRDA-KBPBESRZSA-N 396.472 2.819 0 40 GFAB COC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 33317581 OOVRUMAUFUJHMG-HNNXBMFYSA-N 381.407 2.865 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1C 32910562 NNELZIBHPKDSAP-UHFFFAOYSA-N 382.376 2.680 0 40 GFAB COCc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72389763 BSMBMOHXDUQBDP-KRWDZBQOSA-N 390.443 2.608 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223604166 DDRZQSCUHUEVLP-MOPGFXCFSA-N 379.489 2.622 0 40 GFAB COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223258620 HLWRTHRNQUWADR-JOCHJYFZSA-N 398.503 2.808 0 40 GFAB CC[C@H](C)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 44742339 RDECLCDFHKPUHS-ZDUSSCGKSA-N 386.309 2.621 0 40 GFAB COC[C@@H](C)NC(=O)c1cc(Cl)c(I)cc1OC 40073505 ROEZWVRZSHCFHM-SSDOTTSWSA-N 383.613 2.718 0 40 GFAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cnccn3)CC2)n[nH]1 225562026 FSRUMSWYZVQCFX-UHFFFAOYSA-N 394.410 2.611 0 40 GFAB O=C(O)[C@H]1CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCO1 321889829 LFDKNAIGFZOUGY-SNVBAGLBSA-N 397.147 2.785 0 40 GFAB COCCN(C)c1cnn([C@H]2CCCN(Cc3cc(C)cc(C)c3)C2)c(=O)c1 583618336 PIBHXPTWXPAYNQ-FQEVSTJZSA-N 384.524 2.780 0 40 GFAB O=C(OC[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)s1)N1CCOCC1 585082642 XORBNJUTZFAQSH-ZDUSSCGKSA-N 386.901 2.794 0 40 GFAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 257231953 GIUZAPSXUQHAEG-QGZVFWFLSA-N 397.523 2.871 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 260813224 RBFPMQTXPVPJOI-GJZGRUSLSA-N 376.478 2.727 0 40 GFAB O=C(CSC1CCCC1)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096611 XFXDLHPETFSOQN-UHFFFAOYSA-N 392.550 2.900 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CCC(n2cnc3ncccc3c2=O)CC1 390829317 DNLLLTDZYAOKEA-UHFFFAOYSA-N 398.850 2.687 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2cccc(Cl)c2C)OCCO)cc1 96338039 LRKWJPGEMUMQCR-KRWDZBQOSA-N 383.897 2.985 0 40 GFAB Cn1nc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)ccc1=O 585113711 RKGUCLMBWXHRKJ-GOSISDBHSA-N 395.381 2.916 0 40 GFAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(Br)c2)C1=O 1138390 VXNGYNTUZNMGSC-WDZFZDKYSA-N 386.223 2.754 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)c(Cl)cc12 5207914 IIGQEJULDDHINA-UHFFFAOYSA-N 389.839 2.791 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C 5326490 HTFLFHNBDXCEQG-SLEUVZQESA-N 378.469 2.906 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(C)c2)n(C)c1=O 12374068 WGOCQPFDVYAVPL-OAHLLOKOSA-N 381.480 2.793 0 40 GFAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 13267550 ZDETWQYTVBUIMJ-GOSISDBHSA-N 394.519 2.916 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 14313179 ATVCHWXDSIAGKM-ZDUSSCGKSA-N 396.896 2.847 0 40 GFAB CCN(CCNC(=O)Cn1cnc2c(C)cccc2c1=O)c1cccc(C)c1 16236667 LMRUTXCBFPFFOR-UHFFFAOYSA-N 378.476 2.656 0 40 GFAB C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC1 19655148 BPBUDVVOQHHNQX-CQSZACIVSA-N 384.446 2.917 0 40 GFAB COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)CCC3)cc1 19661707 CJYCNUONSLXRQF-UHFFFAOYSA-N 388.489 2.880 0 40 GFAB CNC(=O)c1cc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)nc2ccccc12 19759517 PKQSLICLISRMTL-IBGZPJMESA-N 377.448 2.579 0 40 GFAB COc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)cc1 1888876427 KBSZZKKEQGDNGR-CALCHBBNSA-N 380.492 2.991 0 40 GFAB NC(=O)c1ccccc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 25946814 LQILYSUKCWKEPZ-UHFFFAOYSA-N 379.460 2.709 0 40 GFAB COc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)c(C)c1 2037984331 XVACMJSPRWXULK-KCZVDYSFSA-N 384.451 2.626 0 40 GFAB Cc1cccnc1CN1CCCCOCCNC(=O)c2ccccc2OCC1 2037988867 LYXPBTIJLCXSFO-UHFFFAOYSA-N 383.492 2.811 0 40 GFAB CCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 4250994 ABIJJTJHHNWKGJ-UHFFFAOYSA-N 399.882 2.960 0 40 GFAB O=C(NCCS(=O)(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 4940874 CSUFRPBTDRASJU-UHFFFAOYSA-N 386.517 2.701 0 40 GFAB COCCCn1cc(C(=O)N2CCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661666 QYLPJTQKZGQNQM-UHFFFAOYSA-N 394.475 2.801 0 40 GFAB CC(C)CN1C(=O)N[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O 12401439 YCFXAMNSVPTGLO-MRXNPFEDSA-N 377.407 2.930 0 40 GFAB Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(-c4cccs4)cn23)n(C)c1=O 13014469 ZLBPKPDVNNRCGY-UHFFFAOYSA-N 395.419 2.543 0 40 GFAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 13714335 VZPSWBGDKKTBQT-SFHVURJKSA-N 391.471 2.843 0 40 GFAB CCCCC1=N[C@H]2c3c(C)cc(C)nc3S[C@@H]2C(=O)N1N(C(C)=O)C(C)=O 15107199 IAVMFEFUOBPFPB-IRXDYDNUSA-N 388.493 2.955 0 40 GFAB CC(C)(C)c1ccc(OCC2CCN(C(=O)NC3CCOCC3)CC2)nn1 1775966132 SBFYAIFRULNYBD-UHFFFAOYSA-N 376.501 2.754 0 40 GFAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2nsnc2c1 206842351 GAZPYXMKTYBKBO-AWEZNQCLSA-N 393.428 2.980 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 38488256 CROJXMNBJFVQIR-UHFFFAOYSA-N 378.421 2.818 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1cccc(C(F)(F)F)c1 77099993 PRBSSQIHTUIEJW-INIZCTEOSA-N 387.379 2.654 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(-n2ccnc2)nc1 40071258 KCMNNSICDNFFRZ-UHFFFAOYSA-N 392.463 2.664 0 40 GFAB COc1ccc([C@H](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)NC(C)=O)cc1 31235622 PXLHYUBULUORQD-GCJKJVERSA-N 395.503 2.905 0 40 GFAB COC(=O)C[C@H](NC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1Cl 31377324 HNSASVWYYBHKPM-AWEZNQCLSA-N 384.860 2.975 0 40 GFAB C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccncc1 32841427 XGLJWIIEZPCUSZ-CYBMUJFWSA-N 382.489 2.999 0 40 GFAB COc1ccccc1[C@@H]1c2c(-c3cccs3)nnc(O)c2Nc2nnnn21 10297632 JVJQMGPUOBIVOK-OAHLLOKOSA-N 379.405 2.601 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccccc1F 21972628 MMDLFTMWEASXIN-UHFFFAOYSA-N 378.469 2.512 0 40 GFAB CCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 645234 COQLELIPBWJNHE-UHFFFAOYSA-N 389.315 2.839 0 40 GFAB O=C(NC[C@@H](O)c1ccccc1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321256 CSSVHXTWHIUJRY-GHTZIAJQSA-N 391.471 2.870 0 40 GFAB CCCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 22703718 OONJGDWUJBXMCR-NVXWUHKLSA-N 382.526 2.843 0 40 GFAB COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 107985666 HEKSPRGKKGIFNM-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 23391058 IDZAQLCNEMYKEB-UHFFFAOYSA-N 397.859 2.914 0 40 GFAB COc1ccc([C@H](CNC(=O)CCc2ccccc2F)N2CCOCC2)cc1 23718899 HYTKDHBLWSXANH-NRFANRHFSA-N 386.467 2.957 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)CN3CCN(c4ccccn4)CC3)c2C)no1 24574499 GQWOIJZEEPTXIB-UHFFFAOYSA-N 379.464 2.790 0 40 GFAB CCCOc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 22378182 IPGLONOSJSKTGR-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1 25376019 AOKHAQLGDILLSL-LJQANCHMSA-N 385.533 2.847 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(Cl)c(F)c2)cc1 3258953 NNFLPCIFXGSDMG-UHFFFAOYSA-N 387.889 2.656 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)NC1CCCCCC1)S(C)(=O)=O 22251763 HBHXXWDDAQERLK-UHFFFAOYSA-N 398.525 2.942 0 40 GFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(CN2CCCC2)cc1 57463619 FGAKETJQLBPSLO-UHFFFAOYSA-N 394.519 2.749 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc3ncsc3c2)CC1)Nc1cccc(F)c1 58175384 PFTOIXXSSJKSIO-UHFFFAOYSA-N 398.463 2.832 0 40 GFAB O=C(N1CCCC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12802679 YPLRLGSTLMODCL-UHFFFAOYSA-N 392.308 2.516 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1 12950069 MOHYSJSONSKPEF-UHFFFAOYSA-N 380.397 2.762 0 40 GFAB C[C@@H]1CCc2nc(NC(=O)C3CCN(c4ccc5nncn5n4)CC3)sc2C1 12972309 ASLDBXXFILVVKT-GFCCVEGCSA-N 397.508 2.561 0 40 GFAB CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 13122426 WKNLRMNROLNHDJ-HZPDHXFCSA-N 387.440 2.935 0 40 GFAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4333979 GMVMBGNMFUTAMX-CYBMUJFWSA-N 381.388 2.615 0 40 GFAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1cccc(Br)c1 6229687 JVTBNQYWZWPCRZ-HNNXBMFYSA-N 392.205 2.771 0 40 GFAB COc1ccc(CNS(=O)(=O)c2cccc(Br)c2)cc1OC 6314989 FZTWJSQZZIHGEO-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 4682301 VYORCSOEYKKREW-NSHDSACASA-N 398.868 2.663 0 40 GFAB CCCCn1c(N)c(N(C)C(=O)c2cc(CCC)c(C)s2)c(=O)[nH]c1=O 14655593 LZDQCTQNMAOQJL-UHFFFAOYSA-N 378.498 2.518 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)c1 4852224 GGAMEZPDYJJTGG-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB O=C(NCc1n[nH]c(=S)n1C1CC1)C1(c2ccc(F)cc2)CCOCC1 67070340 RNHSNSJVVUJPOH-UHFFFAOYSA-N 376.457 2.779 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2nccnc2c1 7048620 DTVOWVUFHXIJSZ-ZDUSSCGKSA-N 390.399 2.551 0 40 GFAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 7061694 MHHQXQOIRGABOI-SWLSCSKDSA-N 396.399 2.805 0 40 GFAB COc1ccc(-c2nc([C@@H]3CN(C(=O)c4cccc(OC)c4)CCO3)no2)cc1 96000881 LNMLQQCBJXJEHR-SFHVURJKSA-N 395.415 2.968 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc2c(F)cc(F)cc2s1 7718987 ZNBZVGBMNNEQFE-UHFFFAOYSA-N 394.403 2.768 0 40 GFAB Cc1ccc(CN(C)C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 8097558 MSVJRMRMNWTWTC-UHFFFAOYSA-N 393.487 2.819 0 40 GFAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)no1 17284708 IBQUZHKIRQYLAB-UHFFFAOYSA-N 390.292 2.796 0 40 GFAB COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1cccc(C)n1)C(F)(F)F 17241679 UAZYRIJNADNWNO-QGZVFWFLSA-N 381.354 2.592 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCC3=CCCCC3)C2=O)cc1 96230708 JXNSFCPUCKVEFT-SFHVURJKSA-N 385.464 2.512 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 8638361 NZLHGTQLUPDCPH-AWEZNQCLSA-N 394.431 2.749 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409124044 JWLIXSRJJRMVRF-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB CS(=O)(=O)Nc1ccc(OC(=O)Cc2cccc(Br)c2)cc1 97212247 DRJKZQUQGWJEHU-UHFFFAOYSA-N 384.251 2.969 0 40 GFAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCN(c2ncccn2)CC1 22756775 MBVLALXTEKKRKU-BQYQJAHWSA-N 379.493 2.681 0 40 GFAB O=C(N[C@H]1CCCn2ncnc21)c1nc(C2CC2)n(-c2ccccc2Cl)n1 79053620 NGCWOOUKIOYBGM-ZDUSSCGKSA-N 383.843 2.655 0 40 GFAB CCn1c(SCC(=O)NCC(C)(C)CCO)nnc1-c1ccccc1C 79112054 PFSFNCFONRGONB-UHFFFAOYSA-N 376.526 2.890 0 40 GFAB COc1ccccc1N1CC[C@H](CNC(=O)CN2CCC(C(F)(F)F)CC2)C1 95993002 SKIUUWNPHXLGMC-OAHLLOKOSA-N 399.457 2.912 0 40 GFAB CN1CC[C@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@@H]1c1ccccc1 89375138 JOCCCRMUZJUWLX-PXNSSMCTSA-N 377.448 2.626 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(O)c1)SCC(O)=N2 79501501 LDOOEIRBLDHQIR-BLLLJJGKSA-N 393.490 2.681 0 40 GFAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20030360 XPVPNRCBEWMUJN-GETOMWPZSA-N 392.477 2.570 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(C)cc1 20636710 PGVANTOMROFXNR-VQTJNVASSA-N 391.471 2.760 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 36384026 QSPMCUAHRDTWIQ-XYJFISCASA-N 395.521 2.785 0 40 GFAB O=C(NCCCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 219976500 GXCYEHMWELVDLY-UHFFFAOYSA-N 390.480 2.973 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NC[C@@H](C)Cn3nccc3C)c12 36619297 ASQSXZUMWPXJDF-GFCCVEGCSA-N 393.451 2.503 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 44899890 XESNTONXTDDGMN-UHFFFAOYSA-N 390.461 2.942 0 40 GFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c(OC)c1 225930156 PRNLHINTEPECFJ-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccccc1 224625297 VKRDZMLIESSKPT-UHFFFAOYSA-N 390.505 2.566 0 40 GFAB COc1cccc(N([C@H](C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220161724 IRCQHDOAFLFMLQ-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1)S(C)(=O)=O 224083694 GDOSVFRGBGWBNP-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB Cc1nc(CN2C(=O)COC3(CCN(Cc4nccs4)CC3)[C@@H]2C)cs1 96062283 JWKQQTVUBWYVQK-ZDUSSCGKSA-N 392.550 2.690 0 40 GFAB Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2ccc(C)s2)C(=O)CO3)o1 96051462 OTYCLOQBBGWQPB-LJQANCHMSA-N 376.478 2.592 0 40 GFAB C[C@H](O)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C(=O)O)[C@@H]1CC3 253529878 ZHDGKAOGMGOSPM-FUYDLSJLSA-N 378.509 2.733 0 40 GFAB biogenic,in-vitro COc1ccc([C@H](CNC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)N2CCCC2)cc1 626745314 SIODRYUFJLQXSR-SNRMKQJTSA-N 389.496 2.584 0 40 GFAB C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@H]2CCCN2)nn1 646273307 PQDRWRAPYBSKSG-NWDGAFQWSA-N 382.295 2.698 0 40 GFAB O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1-n1cncn1 648410365 RZOAUEJEZSKIJU-QAPCUYQASA-N 383.839 2.966 0 40 GFAB C[C@@H](NC(=O)Nc1cccn(CC(F)(F)F)c1=O)[C@@H]1C[C@H](C(=O)O)C1(C)C 653540620 NTZQEUBLADQOLD-OUAUKWLOSA-N 389.374 2.668 0 40 GFAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@@H]([C@@H]4CCCCO4)C3)nn2)cc1 660873553 VENSUAGCJIOCJA-UZLBHIALSA-N 399.495 2.767 0 40 GFAB O=C(COc1ccc(-n2cccn2)nn1)Nc1ccc(OC(F)(F)F)cc1 96024979 AFRSQZGSNJLDQI-UHFFFAOYSA-N 379.298 2.578 0 40 GFAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2cncn2)nn1 96097880 XMVMYUMETPCGPE-UHFFFAOYSA-N 388.416 2.686 0 40 GFAB COc1ccc(Br)c(Cn2cnc3c2CCNC32CCOCC2)c1 1615589896 MIWIOEKXPXXXBY-UHFFFAOYSA-N 392.297 2.854 0 40 GFAB C[C@@H](CCc1ccccc1)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C 54915539 PRDDCQIOERSEGF-GOEBONIOSA-N 379.551 2.906 0 40 GFAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ncc(C)s1 59874050 HKLSJRZZKRXEGL-HZMBPMFUSA-N 392.506 2.543 0 40 GFAB Cc1sc2nc(C)n(C3CCN(CC(=O)N4CCCC4)CC3)c(=O)c2c1C 12145412 ABICAYJSYAYXTD-UHFFFAOYSA-N 388.537 2.643 0 40 GFAB Cc1c(C(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)cnn1C 12184908 PMHPOGRMDVGQKT-ZDUSSCGKSA-N 392.385 2.969 0 40 GFAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCc3noc(-c4ccc(C)cc4)n3)N2C=C1 12195336 FIZXYOWVIKTFBF-OAQYLSRUSA-N 391.431 2.524 0 40 GFAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581731 WAUUFBRICYXLNK-HNNXBMFYSA-N 390.505 2.745 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19078495 RPDOHJNRDBCLNW-HZPDHXFCSA-N 398.482 2.777 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 19655065 FJLMZFBNBPKLHM-CYBMUJFWSA-N 392.452 2.944 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)Nc2ncc(-c3ccc(C)c(C)c3)n2C)C1=O 19665702 ASMCONAPADMHRQ-UHFFFAOYSA-N 397.479 2.753 0 40 GFAB Cc1cc(C)nc(N2CCO[C@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)n1 19692549 XFXLHJXGXSAYPW-FQEVSTJZSA-N 389.459 2.832 0 40 GFAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCN(CCc3ccccc3)C2)n1 19693754 VHIBZUSRZZVLHX-GOSISDBHSA-N 376.508 2.975 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1OC 19937341 ZDXXYZQIRWKHKT-ZDUSSCGKSA-N 379.416 2.945 0 40 GFAB C[C@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 5529993 JPIDFRQBAGAXJM-YFWJKDIJSA-N 386.488 2.703 0 40 GFAB COc1cc(OC)c([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1OC 5555723 BKZYZUTVYVUUGW-SFHVURJKSA-N 381.384 2.994 0 40 GFAB biogenic CCc1nc(O)c2nnn([C@H]3CCCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)c2n1 12119490 OSDAJFAFCITAQG-ZBFHGGJFSA-N 394.479 2.765 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3nn(C)c(=O)c4ccccc34)CC2)c1C 2639761 GIGFSSDWRKGBQM-UHFFFAOYSA-N 376.460 2.513 0 40 GFAB O=C(c1ccccn1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888890794 HUQINOGRHGVDGP-UHFFFAOYSA-N 377.448 2.933 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909066 RCOYDSIHKRTUCF-FQEVSTJZSA-N 375.444 2.531 0 40 GFAB COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O 4479024 WFBNYXAPDYAVKL-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccn3)cs2)cc1 10219323 PDSNZXOVXPCPLV-UHFFFAOYSA-N 389.458 2.626 0 40 GFAB O=C(c1ccccc1F)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 11694120 XAUGIYXTYMLZNG-UHFFFAOYSA-N 395.434 2.595 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15105972 HTMIVWKRALTAAE-ZWCUEREDSA-N 393.443 2.823 0 40 GFAB COc1ccc2sc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)nc2c1 2086886893 AMOMOOIAXSVQAI-AWEZNQCLSA-N 397.447 2.768 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575610871 ZGSFBQGRVYBCGQ-OAHLLOKOSA-N 395.868 2.565 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390831135 PUXOSIKBJQOEHS-CYBMUJFWSA-N 376.459 2.536 0 40 GFAB NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1 23143406 LBWSOSPCJUCQJR-UHFFFAOYSA-N 391.431 2.691 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1 2642642 QDMYELRSZFORJL-UHFFFAOYSA-N 398.444 2.863 0 40 GFAB aggregator Cc1nn(CC(=O)NC2CCCCCC2)c(C)c1I 1431338 IYKDKJHKHKDRBM-UHFFFAOYSA-N 375.254 2.944 0 40 GFAB CC(C)Cn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccccc1F 3516620 NGTOGIBSLHBGBW-UHFFFAOYSA-N 376.457 2.981 0 40 GFAB CC(C)OC(=O)C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 32820967 XLKFFYREXFLFJN-SFHVURJKSA-N 393.443 2.746 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 32863261 HYQIELBVKPCDKZ-PBHICJAKSA-N 399.944 2.935 0 40 GFAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)NC(=O)NCC(C)C)c(=O)c12 6534988 SJRMWLVTKSSSEM-UHFFFAOYSA-N 398.488 2.915 0 40 GFAB Cc1sc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCOCC1 6679823 IVGBIZVPRFGDMW-UHFFFAOYSA-N 386.539 2.530 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 7871811 XSASSSFUBDCPSE-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)c(C)n1C 32910785 IVJCBXCOPZAKMU-GFCCVEGCSA-N 376.840 2.840 0 40 GFAB CC(C)OCCCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8477823 FLLHZSHSQAXDFX-UHFFFAOYSA-N 390.933 2.818 0 40 GFAB CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)n([C@H]2CCS(=O)(=O)C2)n1 102787291 UPQYVYVTWHFSTB-AJNGGQMLSA-N 377.510 2.691 0 40 GFAB CNS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)c(C(=O)O)c1 21950850 VQNRPXDLKCXQPK-UHFFFAOYSA-N 375.324 2.859 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2ccccc2oc1=O 22465808 MIMHRNSTEVZXAK-MRXNPFEDSA-N 384.457 2.658 0 40 GFAB O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)n2nc(-c3cccnc3)nc2N1 9926467 SCVLCGSVHPEIMF-ZDUSSCGKSA-N 386.774 2.655 0 40 GFAB O=C(CS[C@@H]1CCc2ccccc2NC1=O)NCc1ccc2c(c1)OCO2 12407690 VNCQMMKSHDPYPT-GOSISDBHSA-N 384.457 2.718 0 40 GFAB Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)[nH]c2c1C(=O)CCC2 23561427 XSSBBGCMOGJUSF-GOSISDBHSA-N 399.466 2.785 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1F 23738144 RSXRVAQMTDJPKF-UHFFFAOYSA-N 380.423 2.736 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 1109440 DCYFPVDEBRJURE-YWPYICTPSA-N 390.427 2.776 0 40 GFAB COc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 24582569 MZRWAKCUYPZPRB-ZDUSSCGKSA-N 395.419 2.747 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)NC[C@H](C)C(=O)O)CC2)c2ccccc12 97018696 DIBLIHPVVOAIIP-AWEZNQCLSA-N 398.459 2.538 0 40 GFAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccc(Cl)cc1)C2=O 21559251 RDMYNGAXBVJNOD-LWGFOQHQSA-N 380.872 2.718 0 40 GFAB COc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 57486157 MXJMJKVESZOQNL-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB COc1ccc(NC(=O)Cn2c(SC)nc3ccsc3c2=O)cc1F 57505184 YMOXCVOMRJTLOQ-UHFFFAOYSA-N 379.438 2.966 0 40 GFAB Cc1ccc(OCC(=O)Nc2nc3ccccc3n2CCN2CCOCC2)cc1 26456146 QZUCFEAGSBSCCN-UHFFFAOYSA-N 394.475 2.694 0 40 GFAB CCOc1ccc(-c2noc(-c3nnn(-c4cccc(OC)c4)c3N)n2)cc1 10273111 RTCSWTGSQAGWQU-UHFFFAOYSA-N 378.392 2.974 0 40 GFAB CCn1c(=O)n(CC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c2ccccc21 10743746 UNSXWQHGZUSVLH-UHFFFAOYSA-N 394.475 2.537 0 40 GFAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Cl)cn1 36391185 UILAIYINRYPXLJ-UHFFFAOYSA-N 382.873 2.500 0 40 GFAB COc1ccc(CNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22385755 WWHLQJVOWBZBFT-UHFFFAOYSA-N 390.505 2.901 0 40 GFAB COc1ccc(C(=O)OCc2cnc(C)s2)cc1S(=O)(=O)NC(C)C 48304325 JUFYBMFFYIZCEE-UHFFFAOYSA-N 384.479 2.504 0 40 GFAB CCn1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3cccn3)c3c(C)noc3n2)n1 36618018 OOQANUBADFUGCW-CYBMUJFWSA-N 393.451 2.677 0 40 GFAB Cc1ccn2cc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)nc2c1 11357271 AMBLUFSACSIKLR-UHFFFAOYSA-N 386.477 2.972 0 40 GFAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 29355645 VIUFRYZJYQRWGG-NSHDSACASA-N 382.445 2.948 0 40 GFAB O=C(COc1ccc(F)cc1F)NCC(=O)Nc1ccccc1Br 12926456 RGSKZOKYPBSNBB-UHFFFAOYSA-N 399.191 2.861 0 40 GFAB CCc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)c2c(n1)c(C)nn2C 28557549 XCFZDHYIUONDSA-UHFFFAOYSA-N 392.507 2.516 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)c2csc(-c3ccc(C)cc3)n2)CC1 12998944 PVBVEJQLEGTSGB-UHFFFAOYSA-N 393.534 2.662 0 40 GFAB CCc1nc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)c2c(n1)c(C)nn2C 28557653 RNFIVULTGBFHLJ-ZHACJKMWSA-N 390.491 2.596 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccncc2)N1CCc1ccccc1 13692858 OURDNLADPLUAJR-RBBKRZOGSA-N 394.496 2.973 0 40 GFAB COC(=O)c1cc(CNC(=O)Cc2c(C)nn(CC(C)C)c2C)ccc1OC 8878637 ACRZBDIOHBXWTQ-UHFFFAOYSA-N 387.480 2.810 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2ncsc2c1 8808635 OSFYOUXWLWFHHX-UHFFFAOYSA-N 399.447 2.941 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 14241166 MPZHMZAFUIYWEJ-SFHVURJKSA-N 388.851 2.910 0 40 GFAB Cc1ccnc(NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)c1 4608542 HPRMBWOUJFVNKC-QGZVFWFLSA-N 383.448 2.716 0 40 GFAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cccnc2)c1 4711730 ZGAICEMGBBCMOL-UHFFFAOYSA-N 382.464 2.653 0 40 GFAB CCOC(=O)[C@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OC)cc1 4717282 SJFXVNVASQFRFP-MNOVXSKESA-N 388.371 2.628 0 40 GFAB CCOC(=O)[C@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccc(OC)cc1 4717279 SJFXVNVASQFRFP-QWRGUYRKSA-N 388.371 2.628 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248422 YKSOFADQOIWHAS-GFCCVEGCSA-N 376.906 2.664 0 40 GFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccccc1 4816417 SECPACRTWLHYMJ-UHFFFAOYSA-N 385.449 2.552 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 4814764 QLJFYZOEXQDLBG-UHFFFAOYSA-N 386.506 2.866 0 40 GFAB O=C(COc1ccc(F)cc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 6810960 BZSUNHFQIWGHBF-QGZVFWFLSA-N 395.427 2.560 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccncc1 71328998 YCCBQVIDOZHYGG-CQSZACIVSA-N 387.871 2.594 0 40 GFAB Nc1nc(N)nc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2)n1 6992565 OEQULQUEPSIBND-UHFFFAOYSA-N 385.811 2.625 0 40 GFAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2N)c1 6999665 YOWZPIXARUWEQZ-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F 7405761 YNZNJIRATUQLGY-UHFFFAOYSA-N 398.481 2.719 0 40 GFAB CN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858219 AOZDQWJTCHMSGC-UHFFFAOYSA-N 392.864 2.679 0 40 GFAB O=C1COc2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2N1 15933890 LRHCMGQQIBJXMZ-UHFFFAOYSA-N 388.323 2.717 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(OCc2cscn2)cc1 8129848 PNUYTXQKUXLVDZ-UHFFFAOYSA-N 378.417 2.950 0 40 GFAB O=C(CCn1ncc(=O)c2ccccc21)Nc1cccc(N2CCCC2=O)c1 8271692 SYPBJCVJPJQVLH-UHFFFAOYSA-N 376.416 2.552 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)c1cccc(N2CCCC2=O)c1 8326825 URATXXJRUNFRAE-UHFFFAOYSA-N 379.445 2.764 0 40 GFAB COc1ccc(-c2nc(CC(=O)N(C)CC(=O)NCc3ccco3)cs2)cc1 8404291 PNYRZVUZTXPWPI-UHFFFAOYSA-N 399.472 2.729 0 40 GFAB O=C(c1cccc(N2CCNC2=O)c1)N1CCCN(CC2CCCCC2)CC1 71820064 ZIFISZSEPNVEFY-UHFFFAOYSA-N 384.524 2.944 0 40 GFAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1=O 9867833 SGGFTTCKAIJYKV-YJYMSZOUSA-N 386.477 2.680 0 40 GFAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22332416 PFBSWPIBVKBCKR-INIZCTEOSA-N 390.505 2.955 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4cccc(F)c4)C[C@@H]2S3(=O)=O)cn1 306127199 FRLDURIMZUNAAW-FPOVZHCZSA-N 397.475 2.982 0 40 GFAB Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)c1 306137114 QLXSSQWQGBCMAE-UHFFFAOYSA-N 379.508 2.707 0 40 GFAB CC(=O)c1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)cc1 35311153 KNQGESZYSLSKRE-UHFFFAOYSA-N 396.428 2.611 0 40 GFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 408596543 WQEOBDMXYPHBBF-INIZCTEOSA-N 390.505 2.799 0 40 GFAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306124016 BDBPGRQWSJNXBW-LSDHHAIUSA-N 385.899 2.518 0 40 GFAB Cc1ccc(C(=O)N[C@H]2CCN(c3ncc(C)cn3)C[C@H]2c2cnn(C)c2)cc1 306124026 BDKWKNVRIBFNJF-PMACEKPBSA-N 390.491 2.619 0 40 GFAB Cc1nn(C(F)F)cc1S(=O)(=O)NCC[C@H](C)n1nc(C)c(Cl)c1C 36615042 UMPUGABOWVLBBT-QMMMGPOBSA-N 395.863 2.983 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)N[C@@H](c2ccccc2F)c2nccn2C)c1 32842306 ALRYYJPAUUNFQJ-FQEVSTJZSA-N 394.450 2.893 0 40 GFAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 47464332 OSFFFFRJUUPMJS-LLVKDONJSA-N 395.868 2.604 0 40 GFAB CC(C)CC(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44096899 UFNSHIBEGHDQBR-UHFFFAOYSA-N 383.374 2.845 0 40 GFAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NCC1CCCCC1 225401486 XGNBKMKOEVFVQW-VQTJNVASSA-N 387.524 2.643 0 40 GFAB biogenic,in-vitro COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222992072 FAOXXYSFRQWMGP-SFHVURJKSA-N 398.503 2.808 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC)cc3)n2)cc1 77100309 FDEQHPQMDZQZHJ-UHFFFAOYSA-N 395.419 2.880 0 40 GFAB CC(=O)Oc1cccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)c1 254415998 WVEPMYALNFCREV-UHFFFAOYSA-N 377.425 2.599 0 40 GFAB CCOCc1ccccc1CNC(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O 42106693 CHKPGSTZSQURQP-UHFFFAOYSA-N 392.459 2.536 0 40 GFAB O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 90612625 JBQYOKLLXXEBTP-CQSZACIVSA-N 387.816 2.610 0 40 GFAB CN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 575423577 OTPOAJBZATVYPR-GOSISDBHSA-N 385.551 2.932 0 40 GFAB COc1ccc(NC(=O)CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)cc1 585262200 LLNQXWVXOKEGPP-NZQKXSOJSA-N 393.487 2.772 0 40 GFAB Cc1ccc(OCC2(O)CCN(CC(=O)NCCc3ccccc3)CC2)cc1 585273061 NFBNMLVJEBDBIJ-UHFFFAOYSA-N 382.504 2.560 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1 59854822 ABTNPNUEXJPIBS-CQSZACIVSA-N 392.459 2.959 0 40 GFAB O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CCCN(c2ccccc2F)C1=O 570264278 AYDDWXWDZHRVFP-MOPGFXCFSA-N 396.466 2.507 0 40 GFAB CSc1nnc([C@H]2CCCN(CC(=O)N3CCCc4ccccc43)C2)n1C 5001430 XSJJWGURFPJKPW-INIZCTEOSA-N 385.537 2.696 0 40 GFAB O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl 5094284 LLSAYKPLXKPGSR-UHFFFAOYSA-N 375.831 2.558 0 40 GFAB Cc1cccc(CSCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 13688795 QONAPHRVZILSRR-HDICACEKSA-N 386.517 2.686 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCC2)cc1C 16692207 YYXFVADNFOOLPD-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB Cc1cnc(C(=O)N[C@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)cn1 19130060 ZLFWTAAOPBJXLY-QGZVFWFLSA-N 388.431 2.556 0 40 GFAB CCc1c(C)nc([C@H]2CCCN(Cc3cc4c(cc3OC)OCO4)C2)[nH]c1=O 19521543 VGZSNTXMKBSMOP-AWEZNQCLSA-N 385.464 2.758 0 40 GFAB Cc1c(CN2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)cnn1C 19553720 CSBYONGNMSMNAA-LJQANCHMSA-N 383.521 2.589 0 40 GFAB COc1ccc(-c2n[nH]c(C(=O)NCCN3CCC(C)CC3)c2C)c(OC)c1 19555162 ONFRPSVHMYNNEV-UHFFFAOYSA-N 386.496 2.864 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)NC[C@H](c1cccnc1)N1CCOCC1)n2C 19661165 QBHAJBIONQCJQN-OAQYLSRUSA-N 378.476 2.685 0 40 GFAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cccnc2)C1 19695763 UCRRHPSMZMSOLH-QFIPXVFZSA-N 376.460 2.917 0 40 GFAB CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1cccc3cccnc13)CC2 19706162 ZVRBWOYWBOPIAT-GOSISDBHSA-N 390.491 2.682 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)no2)cc1 19715061 CCAOZFXEWJYXIP-UHFFFAOYSA-N 388.420 2.993 0 40 GFAB Cc1noc(C)c1CC(=O)N1C[C@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888866347 INFZFAYHDMCUON-HZPDHXFCSA-N 383.496 2.516 0 40 GFAB Cc1nc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc(-n2cccn2)n1 1888876308 POLNMQNZRQEDGU-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB Cc1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n2nccc2n1 1888901167 HJVYNQMHMGFOEM-UHFFFAOYSA-N 385.422 2.969 0 40 GFAB Cn1cnc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)c1 1889022067 LWAWCZLWKCCTSS-UHFFFAOYSA-N 399.458 2.840 0 40 GFAB Cn1cc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)nn1 1889022076 UQBAOTQMKBBJLG-UHFFFAOYSA-N 399.458 2.840 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(N2CCCCC2)cc1 15526205 JYYOUPROAYJGRI-UHFFFAOYSA-N 381.432 2.774 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1)c1ccccc1 1775964215 XDTFEZFOKNOCMC-KRWDZBQOSA-N 376.416 2.863 0 40 GFAB biogenic,in-vitro Cc1csc(C(=O)N2CCc3nc(C(=O)N=c4cc[nH]cc4)sc3CC2)c1 1565553911 GYSWKXVUOHJBPT-UHFFFAOYSA-N 398.513 2.823 0 40 GFAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1 12440046 WLIDQXHXAAANJZ-UHFFFAOYSA-N 398.444 2.664 0 40 GFAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3cccc(OC)c3)ccc21 22732743 WJBSOOBJSMYXHT-UHFFFAOYSA-N 381.476 2.765 0 40 GFAB Cc1nc(C)c(CN2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)s1 2298042652 AWYMAQVFJBRWKL-UHFFFAOYSA-N 390.431 2.551 0 40 GFAB O=C(NCc1ccc(Cn2cncn2)cc1)c1cccnc1OCC(F)(F)F 40070091 DSTAZMFZXLREFJ-UHFFFAOYSA-N 391.353 2.593 0 40 GFAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cccc(C(N)=O)c1 40146782 HVTZLJCJFQXJLC-UHFFFAOYSA-N 379.338 2.638 0 40 GFAB COc1ccc(N(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C(=O)c2ccco2)cc1 100541082 YXUQDXNUFPAGGP-CALCHBBNSA-N 380.400 2.844 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3c4ccccc4C[C@H]3C)C2=O)cc1 2621792 LWERJGKREADVAT-QRQCRPRQSA-N 377.444 2.740 0 40 GFAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccccc2Cl)n1 11916340 ASHSMLKEKWOUEC-UHFFFAOYSA-N 390.646 2.548 0 40 GFAB COc1cc(C(=O)NCc2ccccc2OCCN(C)C)cc(OC)c1OC 1670294 AYENQHNLPCLLIB-UHFFFAOYSA-N 388.464 2.583 0 40 GFAB COc1cc(CN(C)Cc2cc(=O)n3ccsc3n2)ccc1OC(F)F 3384511 ICVMFCNNKOBLER-UHFFFAOYSA-N 381.404 2.998 0 40 GFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 102351688 MOOIWKWMSIFBDR-ONIAQPFYSA-N 376.884 2.731 0 40 GFAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H]2CCOc3ccccc32)CC1=O 7268738 KLYUVQPDKVLCTK-RDJZCZTQSA-N 380.444 2.997 0 40 GFAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccccc1C(=O)NC1CC1 22800248 GWGPKCFPXXCWEE-UHFFFAOYSA-N 392.459 2.522 0 40 GFAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(Cc2ccc(Cl)s2)CC1 22932295 DUDDOOJSWQRWLG-UHFFFAOYSA-N 396.944 2.731 0 40 GFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 993307 CPPHUZLCYDUBSZ-QGZVFWFLSA-N 395.411 2.642 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 24096989 YTWKPMWKNUKDRT-LJQANCHMSA-N 381.451 2.904 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)s1 24281433 QOHRUDVMGUFCMT-UHFFFAOYSA-N 399.476 2.625 0 40 GFAB CS(=O)(=O)Nc1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 24893031 VFAVGYIWVIOGLY-UHFFFAOYSA-N 396.852 2.664 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)COc2ccc(Br)cc2)C1 12616981 YDNYCIRMIJBHHF-BETUJISGSA-N 384.270 2.876 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(OC)c1OC 3385569 GJPIMSVSHHHSOY-UHFFFAOYSA-N 387.388 2.676 0 40 GFAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)CC1 20671345 HTGIJWLIQNUYER-QGZVFWFLSA-N 394.475 2.976 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccccc2F)cc1 22520627 ZDDXNLFANAEYET-UHFFFAOYSA-N 397.493 2.965 0 40 GFAB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CCc3ccccc3C2)s1 58214496 QVOOWSUHXJFTGC-LRDDRELGSA-N 378.519 2.781 0 40 GFAB CCOC(=O)c1cc(NC(=O)C(=O)Nc2ccc3nc(C)sc3c2)cn1C 97164786 VHHKNBCJGMXKET-UHFFFAOYSA-N 386.433 2.697 0 40 GFAB COCCN(CC(F)F)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 58327257 UBXLAPDBEVTEQU-UHFFFAOYSA-N 385.361 2.993 0 40 GFAB CC(=O)O[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2386085 ZITLPPLNBYOLDJ-BLVKFPJESA-N 383.400 2.930 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 48332791 JIHMAPQQYLBXSI-LSDHHAIUSA-N 376.453 2.590 0 40 GFAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1 12860255 LZWFQXUACLAFMA-UHFFFAOYSA-N 395.438 2.829 0 40 GFAB Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 3477611 AFVBYKISDHCALI-UHFFFAOYSA-N 395.488 2.589 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccsc3)CC2)c(C)c1 12977929 ANGKUMUQTXTLKX-GQCTYLIASA-N 390.530 2.911 0 40 GFAB O=C(c1cccnc1S)N1CCN(CCOc2ccccc2Cl)CC1 12972575 AQBPCSJJKCLGEN-UHFFFAOYSA-N 377.897 2.861 0 40 GFAB O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3613492 POGRGEKNTFAYOP-UHFFFAOYSA-N 376.453 2.583 0 40 GFAB CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 17079376 LVJZDTHYGOXBFQ-GJZGRUSLSA-N 388.555 2.895 0 40 GFAB CNC(=O)NC(=O)[C@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 6110536 CAFKNFGJDQONCW-MRXNPFEDSA-N 381.461 2.865 0 40 GFAB COc1ccc(NC(=O)[C@H](C(C)C)n2nnc3ccccc3c2=O)cc1OC 5204903 HCAROQPDKZLKEB-SFHVURJKSA-N 382.420 2.645 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)no1 5261868 PNWKMZUYOXXZGK-UHFFFAOYSA-N 375.425 2.869 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C2=O 4515476 LITUCMKDDDWCKJ-SBUREZEXSA-N 397.519 2.968 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)c(OC)c1 6623807 MFTXHKISMCULTD-UHFFFAOYSA-N 383.400 2.683 0 40 GFAB biogenic Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 8667870 FPJCBCPUIVSXKP-HNNXBMFYSA-N 381.480 2.649 0 40 GFAB COc1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)c(OC)c1 5695501 XGSQWACLZCHOKJ-GHRIWEEISA-N 393.443 2.980 0 40 GFAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2nncs2)n1C 4816329 WLIKIERSDRKSPK-SNVBAGLBSA-N 376.467 2.537 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)c1ccc3ccccc3c1)C2=O 8729334 KAQQCUDPFKZGMZ-UHFFFAOYSA-N 394.475 2.808 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2C(N)=O)c1 7022943 DELQFZZBGCGKOP-LLVKDONJSA-N 392.839 2.712 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cc(=O)n2ccsc2n1 7315583 NWZAZNVODJUROG-KRWDZBQOSA-N 395.440 2.763 0 40 GFAB CCOc1ccc(OCCNC(=O)COc2ccc(-c3nnco3)cc2)cc1 7774224 HCMMTXDZPBRGMK-UHFFFAOYSA-N 383.404 2.709 0 40 GFAB Cn1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 7786139 FXIGXRCMQHZDDQ-LLVKDONJSA-N 390.519 2.803 0 40 GFAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1cccc(F)c1 7843513 QZZRQWPTHMJGRT-UHFFFAOYSA-N 375.469 2.935 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C[C@H]2C=CCC2)cc1 7938105 KKNZPEWLKQCKDT-GJZGRUSLSA-N 394.493 2.600 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(C(=O)NC2CC2)c1 8074026 JXDWSUVMBBVXOM-UHFFFAOYSA-N 377.444 2.887 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 16681200 WDWKZBOHHRWCEK-LJQANCHMSA-N 386.839 2.617 0 40 GFAB O=C(Cc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)NCc1ccccc1 8103006 KFQKPEIKUIDDDD-UHFFFAOYSA-N 379.441 3.000 0 40 GFAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1OCC(N)=O 72405981 HGAVHBIYCQJZIU-INIZCTEOSA-N 390.465 2.928 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1C 9426961 WYHFLYNAPPHUGH-KRWDZBQOSA-N 394.537 2.807 0 40 GFAB Cc1oc2cc(OCC(=O)NC[C@@H](C)O)ccc2c(=O)c1Oc1ccccc1 9530497 KUVGLGHYFIOFGF-CYBMUJFWSA-N 383.400 2.770 0 40 GFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C)ncn3n2)cc1 21024102 AZBYMQABVQADJX-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)cc(C)c2)cc1 113871631 AEAFKZOEFPGTIL-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB Cn1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C[C@@H]2CCCO2)cn1 32604103 RJICEAUBSVCFGE-INIZCTEOSA-N 398.492 2.588 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CC(=O)N(c2ccccc2Br)C1 32095103 YISJFTCVANFHAN-NSHDSACASA-N 399.248 2.739 0 40 GFAB COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C 36370108 OECFANSQOOJRNS-UHFFFAOYSA-N 397.479 2.884 0 40 GFAB biogenic CCc1ccc([C@H]2CNCCN2C(=O)c2csc(S(C)(=O)=O)c2)cc1 562977720 LLSPYDYBYQBULY-MRXNPFEDSA-N 378.519 2.501 0 40 GFAB CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 40012989 GNAGPFAZTQVLJF-LJQANCHMSA-N 394.471 2.936 0 40 GFAB CCOc1ccc(C(=O)NC2CC2)cc1CN(C)S(=O)(=O)c1ccccc1 224809393 DATSMHOJMQCNPG-UHFFFAOYSA-N 388.489 2.798 0 40 GFAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](N2C(=O)COC2=O)C1 225701779 YROLUPDPCXSOJC-OAHLLOKOSA-N 391.383 2.688 0 40 GFAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccccc1Br 223316676 YMACYVDTGRRBSI-UHFFFAOYSA-N 383.223 2.993 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222484043 OGAPCUJMMHZJAN-MRXNPFEDSA-N 390.505 2.897 0 40 GFAB COc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 226001750 KZBACDADYXMGQA-UHFFFAOYSA-N 390.484 2.968 0 40 GFAB COc1cccc2cc(C(=O)NCC3(OC)Cc4ccccc4C3)c(=O)oc12 225720078 ZMUWWJVCZYWFBI-UHFFFAOYSA-N 379.412 2.715 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC 223060223 AZMWTZUWKVVUFU-SFHVURJKSA-N 384.476 2.936 0 40 GFAB CCOc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225164162 KFHNOQMWVCCLSV-GOSISDBHSA-N 377.462 2.710 0 40 GFAB O=C(Nc1ccc2[nH]ncc2c1)C1CCN(S(=O)(=O)c2cccs2)CC1 40039651 LMCPOYSGKAFSQX-UHFFFAOYSA-N 390.490 2.664 0 40 GFAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2oc1=O 77099702 TUZXLLCOABQFTG-UHFFFAOYSA-N 380.400 2.668 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN(C)C)c2)cc1 224262292 LSRXNTBKOHUXRB-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)/C=C/c2ccco2)CC3)no1 77196416 SIWNWIPFMVXLSP-SNAWJCMRSA-N 384.417 2.883 0 40 GFAB COC(=O)CSc1nnc(NC(=O)COc2cc(C)cc(C)c2C)s1 222857775 WIZCGWXBAXJXCN-UHFFFAOYSA-N 381.479 2.746 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222489762 WZMFGYMVIABNBE-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB CC(C)N(C)c1cccc(NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 578848972 NDMGCVANDAGYET-LJQANCHMSA-N 379.526 2.964 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 96215772 MNWAMSCKOVLRPH-LJQANCHMSA-N 391.562 2.961 0 40 GFAB Cn1nc(C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)c2c1CCCC2 583303122 LYTMFAWCEWOVCV-UHFFFAOYSA-N 375.436 2.828 0 40 GFAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1CCC(Cn2cnnn2)CC1 583652578 WEURAJRNLFIZQK-UHFFFAOYSA-N 398.511 2.593 0 40 GFAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245228275 MOPDRTGAYRIKEN-ATZDWAIDSA-N 381.476 2.955 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC3(CC2)C[C@H](N(C)c2ccccc2)CO3)n1 257233964 GRNGDJHNMLCZRZ-FQEVSTJZSA-N 382.508 2.786 0 40 GFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1)c1cncnc1 257239332 HOUOZEQDHRZFJZ-FUDKSRODSA-N 394.519 2.544 0 40 GFAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)Nc2ccnc(-c3ccccc3)c2)C1 585088682 VVLDACQZFJSQBF-OAQYLSRUSA-N 382.464 2.586 0 40 GFAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 257301655 RZHBLTZODONXEO-GFCCVEGCSA-N 384.436 2.820 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)N[C@H](C(=O)O)c1ccccc1 590410698 ZLGZZJVWXBRXFY-FQEVSTJZSA-N 383.400 2.753 0 40 GFAB COCc1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 648936855 QCQVQIGCZKKPGZ-CYBMUJFWSA-N 382.386 2.594 0 40 GFAB COc1ccccc1[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)OC 96385075 SWIIQFGDIQWLCJ-VHFSOBRXSA-N 395.521 2.698 0 40 GFAB Cc1cc(Br)ccc1NC(=O)c1cn(C[C@@H](O)c2ccco2)nn1 390828051 NZNUAOJTNRCJTN-CQSZACIVSA-N 391.225 2.928 0 40 GFAB O=C(Cc1ccccc1)NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O 585200028 KHYFFQVYAXIGKZ-UHFFFAOYSA-N 380.423 2.545 0 40 GFAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 59773259 SRVALAOMATWAIB-UHFFFAOYSA-N 381.413 2.614 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](O)c1ccc2c(c1)OCCO2 170201269 FGBJZAPYSFRKAR-CQSZACIVSA-N 398.242 2.993 0 40 GFAB C[C@@H](CNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)c1nc2ccccc2s1 1630317224 WJVNGTNEWGVTKV-ZDUSSCGKSA-N 393.472 2.714 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(OC)c1 8115003 PDWUHDFGXSXSLA-GXDHUFHOSA-N 398.440 2.544 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1C 12979459 SNUWKRQMLFXQEU-UHFFFAOYSA-N 390.443 2.526 0 40 GFAB COc1cccc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 19018240 DBGWWEBTXFPYCJ-FQEVSTJZSA-N 394.475 2.757 0 40 GFAB Cc1ccc2occ([C@@H](c3nnnn3C3CCCC3)N3CCOCC3)c(=O)c2c1 19219760 HDVOXQWUYGHJFF-IBGZPJMESA-N 395.463 2.625 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3C(=O)C2=Cc3ccccc3OC2)Nc2ccccc21 100119682 IIADNFHZOAMIOD-LQNXUBFPSA-N 387.439 2.778 0 40 GFAB O=C1NCC2(CCC(C(=O)N[C@H]3CCCOC3)CC2)Oc2ccc(Cl)cc21 12087246 QGLLBTIQOLVKNB-LXDLAPCHSA-N 392.883 2.686 0 40 GFAB Fc1cnc(OC[C@]23CCC[C@H]2CN(Cc2nnc(C(F)(F)F)o2)C3)nc1 1888866998 SQUJJXVYJVLQCI-ZUZCIYMTSA-N 387.337 2.699 0 40 GFAB Cn1ccnc(N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)c1=O 1888888388 OAIQMCZPWWFFPH-UHFFFAOYSA-N 377.448 2.533 0 40 GFAB O=c1cc(CN2CCN(Cc3nc4ccccc4s3)CC2)nc2sccn12 22780039 RRABJSWQPLNUSM-UHFFFAOYSA-N 397.529 2.684 0 40 GFAB COc1cc(OC)cc(C(=O)NCCc2cc3ccc(OC)cc3[nH]c2=O)c1 4032856 QFFBQXTVFHGPOG-UHFFFAOYSA-N 382.416 2.526 0 40 GFAB COc1ccccc1-n1ccn(CC(=O)Nc2ccc(C)cc2Cl)c(=O)c1=O 4570038 PFKRCXLUJAEOGT-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB COCCn1cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 5266516 PWXYHURIFKBYGD-UHFFFAOYSA-N 388.449 2.579 0 40 GFAB O=S(=O)(NCCCN1CCN(c2ccccc2)CC1)c1ccccc1Cl 12068904 DAYFQZPIBOFKPP-UHFFFAOYSA-N 393.940 2.831 0 40 GFAB COc1ccc(C(=O)NCCCn2nc(-c3ccccc3)ccc2=O)cc1OC 13795479 WYMKQTDERTZBTC-UHFFFAOYSA-N 393.443 2.748 0 40 GFAB COc1ccc(N2N=N[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]32)cc1OC 101260758 HAAMMCZJCZLDNF-ZWKOTPCHSA-N 380.404 2.818 0 40 GFAB Cc1cc(O[C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)nc(C)n1 575610183 UEMSTRQGEUVOKI-OAHLLOKOSA-N 379.416 2.883 0 40 GFAB CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 17809164 YJMNZJOUHOLNPI-UHFFFAOYSA-N 379.464 2.934 0 40 GFAB COc1ccc([C@@H]2N=C3NCN(C(C)C)CN3c3nc4ccccc4n32)cc1 20101422 LDOPZEVSAVSEEI-LJQANCHMSA-N 376.464 2.996 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1 40284602 RVEYBWDTNFJUHZ-UHFFFAOYSA-N 398.422 2.796 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20488935 KMAJEIDTLXPROC-MRXNPFEDSA-N 396.852 2.514 0 40 GFAB Cc1ccc(F)c(NC(=O)Cn2c(C)cc3nc4sc(C)nn4c(=O)c32)c1 51357384 GMEFQVLJOAVKKT-UHFFFAOYSA-N 385.424 2.809 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 8257618 YSFFXBLWLASMDL-NSHDSACASA-N 383.477 2.956 0 40 GFAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2146537 MIKWOQPDLWFLKK-BTDLBPIBSA-N 375.421 2.713 0 40 GFAB biogenic Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3553938 QBWODDKPKCMORO-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 32898814 CRMYNXBWTREZRO-UHFFFAOYSA-N 378.517 2.778 0 40 GFAB O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)N1CCOCC1 4967161 XWRSQLJVNDEPNP-UHFFFAOYSA-N 378.454 2.548 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(OC)cc2)cc1 6607986 IOOJBBYUUDGYAT-UHFFFAOYSA-N 385.416 2.986 0 40 GFAB O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 6653427 LXWLWLMEMVONMS-UHFFFAOYSA-N 380.187 2.959 0 40 GFAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(-n2cncn2)c(F)c1 32903109 ZHXJUSKPNWJIBN-KRWDZBQOSA-N 387.415 2.576 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 7685347 PGCDFOJIFITXDO-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB C[C@@H](OC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21850354 YSDWYGVBDKJGFM-HQJQHLMTSA-N 378.734 2.508 0 40 GFAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)ccc21 21867643 OEQYWOGAXHPKAK-CABCVRRESA-N 380.448 2.916 0 40 GFAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1NS(C)(=O)=O 10357669 UXDZZHDKYYPQIJ-UHFFFAOYSA-N 389.477 2.757 0 40 GFAB COc1ccc(CCNC(=O)CSc2nncn2-c2ccc(OC)cc2)cc1 8728355 BZFSUPXBAROROS-UHFFFAOYSA-N 398.488 2.736 0 40 GFAB O=C(COc1ccc(C2SCCCS2)cc1)NCCCN1CCOCC1 22688219 FEQQDACEAOSDIT-UHFFFAOYSA-N 396.578 2.773 0 40 GFAB Cc1cccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c1 9852843 FNTAWURYSFWFAU-UHFFFAOYSA-N 387.436 2.948 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)c1cccc(NC(=O)[C@@H]3CCCO3)c1)OCO2 24639114 TYLWASGELJJPBU-KRWDZBQOSA-N 396.399 2.988 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1CCN(c2ccccc2)CC1 57358918 KELHTZXRFYPJCJ-UHFFFAOYSA-N 389.503 2.653 0 40 GFAB CC1CCC(NC(=O)[C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 26992249 DMMJWAXVQIGIIH-ISXOHVOVSA-N 379.526 2.722 0 40 GFAB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)C(C)(C)C 18180236 KBFDNAPGBWEVPX-CADBVGFASA-N 396.487 2.524 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)NC12CC3CC(CC(C3)C1)C2 10032619 WCAKCZSHXFMSCY-UHFFFAOYSA-N 381.270 2.857 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C[C@@H](C)OC)c1 58208735 AYHIFNAQDFPMHM-OAHLLOKOSA-N 397.541 2.681 0 40 GFAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C 36370073 SFUSEUPAEUCLGK-UHFFFAOYSA-N 393.403 2.532 0 40 GFAB biogenic COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc(OC)c1OC 2343905 YBBDBIRCZHWDMV-KRWDZBQOSA-N 381.384 2.994 0 40 GFAB biogenic CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 22539438 UNYRTGPTRYOLQV-ZIAGYGMSSA-N 394.468 2.769 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccc(Cl)cc1 3550303 AVEMOPRXTDSNQA-UHFFFAOYSA-N 395.864 2.889 0 40 GFAB COc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc2c1OCCO2 17184993 XFPKDLMUBILQOS-ZDUSSCGKSA-N 383.400 2.601 0 40 GFAB Cc1nnc(SCC(=O)N(C)CCOc2ccc(Br)cc2)n1C 8473467 YMEOLCJJMUZDMP-UHFFFAOYSA-N 399.314 2.516 0 40 GFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 4121444 XFXVFMVGHCRBHL-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB O=C(CSc1ccc(C(=O)N2CCCC2)cn1)N1CCc2ccccc2C1 39553212 IQVVJJMSTQBZQE-UHFFFAOYSA-N 381.501 2.995 0 40 GFAB COc1ccc(NC(=O)CCCNC(=O)c2cn(C)nc2C(F)(F)F)cc1 6320613 CHUKVVHQXPYXOY-UHFFFAOYSA-N 384.358 2.596 0 40 GFAB COc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 14076686 PCLJFIBJJROWPK-KRWDZBQOSA-N 399.451 2.922 0 40 GFAB NS(=O)(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 65794285 JJJSJESUZLYTGX-UHFFFAOYSA-N 376.869 2.528 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)OCc1cc(=O)n2ccccc2n1 18363425 WOOVZUWWZPHKTP-UHFFFAOYSA-N 376.412 2.890 0 40 GFAB O=C(O)C[C@]1(C(=O)NCc2ccccc2)CC(C2=Cc3ccccc3OC2)=NO1 6754783 MTMUBYNLZMGYEN-QFIPXVFZSA-N 392.411 2.769 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 4976099 ZOCMJIRCKALZKW-OAHLLOKOSA-N 386.423 2.873 0 40 GFAB Cc1nn(CN2CCN(c3ccccn3)CC2)c(=S)n1Cc1ccccc1 7006885 JXXZHUIHYAIXCZ-UHFFFAOYSA-N 380.521 2.946 0 40 GFAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccccc2F)o1 7192119 VBPGNIIHLWZKMD-UHFFFAOYSA-N 378.410 2.767 0 40 GFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3cn4c(C)cccc4n3)n2)cc1 7176188 IEQPFZHVHWNWEN-UHFFFAOYSA-N 389.419 2.819 0 40 GFAB CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@H]1C 67665350 KOVMAAYRBJCASY-HTDHLNIYSA-N 398.503 2.551 0 40 GFAB in-vitro O=C(CSc1nnc(-c2ccccc2Br)o1)N1CCOC1=O 7734963 OIMPKJDNPOAQAO-UHFFFAOYSA-N 384.211 2.570 0 40 GFAB Cc1c(C(=O)NC2CCN(C(=O)OC(C)C)CC2)c(=O)oc2ccc(O)cc12 84067720 ZDOIWXIFGVZPOW-UHFFFAOYSA-N 388.420 2.546 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 409391800 OSSCXHWWLPEPRE-KRWDZBQOSA-N 394.537 2.663 0 40 GFAB O=C(NC[C@@H]1CCCCN1C(=O)NCCCN1CCCC1)Nc1ccccc1 95461055 SJUYSAZFBAHIJY-IBGZPJMESA-N 387.528 2.858 0 40 GFAB CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 95999513 WMZGSDLQFQVMKH-MRVPVSSYSA-N 395.432 2.641 0 40 GFAB COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 95994183 DDTMMLPGXDXHPH-XJKSGUPXSA-N 398.381 2.990 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 409205191 GIVLDFIYMXWFQH-CYBMUJFWSA-N 380.441 2.920 0 40 GFAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562110 XWEMPBGHULIKEE-QWHCGFSZSA-N 388.917 2.664 0 40 GFAB CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)[C@H](c2ccccc2)C1 36734544 GREDHTBMIOQSCM-XLIONFOSSA-N 381.451 2.694 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 72353628 VKTXJHBEEZOVKS-MRXNPFEDSA-N 391.541 2.557 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1C 223759808 PGKZTZCHRJCCKC-UHFFFAOYSA-N 379.463 2.936 0 40 GFAB Cc1cccnc1NC(=O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 40267186 JQZBJJUTFSHCFY-UHFFFAOYSA-N 384.455 2.987 0 40 GFAB O=C1C[C@H](C(=O)NCCC(=O)N2CCCc3ccccc32)c2ccc(F)cc2N1 40122546 VMMOEXNQNGVVGQ-KRWDZBQOSA-N 395.434 2.737 0 40 GFAB CCOc1ccc(C[C@@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 225163940 XZTNDCGLNXMRRS-KRWDZBQOSA-N 381.425 2.686 0 40 GFAB CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 529420902 ZLMKPVOVFDIABY-ZBFHGGJFSA-N 387.448 2.902 0 40 GFAB C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@@H]2CC[C@@H]1C2 195570910 ZARGVBGIFOXWHK-NBDQWHARSA-N 390.524 2.909 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c1ccccc1F 224341141 AQRCEDOWDJDVDW-UHFFFAOYSA-N 387.521 2.770 0 40 GFAB COc1ccc(CC(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1OC 238899245 RIEZKYWGFLFVSD-FQEVSTJZSA-N 387.457 2.953 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 243364541 MCHHURKFTGUVAZ-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB COc1cccc([C@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2nccn2C)c1OC 257285783 PIWOIMWMPOQPPG-MPGHIAIKSA-N 387.480 2.848 0 40 GFAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1ccc2nsnc2c1 253394243 AXXCGQOMDUZEFU-UHFFFAOYSA-N 393.457 2.788 0 40 GFAB Cn1ccnc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 257247346 IYOOEKYSWMRGRI-AUUYWEPGSA-N 375.856 2.916 0 40 GFAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1 257201328 AHEVXRBJHJSAIF-SFHVURJKSA-N 379.420 2.611 0 40 GFAB CN1CCC[C@]2(CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)C2)C1 655144779 ZKJZRHFSCMZTHX-QHCPKHFHSA-N 394.519 2.524 0 40 GFAB N[C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 666963159 YZDBKLXOIIOTRM-VQTJNVASSA-N 383.496 2.682 0 40 GFAB O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)Nc1ccc2c(c1)OCCO2 90591251 MQLNLXHUFUKNSH-UHFFFAOYSA-N 398.444 2.518 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 623000559 KGPZPBLCYMXDQH-MRXNPFEDSA-N 381.400 2.616 0 40 GFAB CCN1CCC(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 1615124293 WKHSHEABAXIALY-HSZRJFAPSA-N 399.535 2.533 0 40 GFAB C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 5354430 IOZCMLNKCHMITF-CQSZACIVSA-N 376.453 2.545 0 40 GFAB CCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 5033792 ATNFFUXZSQADKP-SNVBAGLBSA-N 389.510 2.758 0 40 GFAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCCCCC5)nc4c23)C1 12184171 RLUNDUXZHCMUDD-ZDUSSCGKSA-N 399.520 2.633 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 14233818 HIVRLYKAEDYEAT-UHFFFAOYSA-N 395.477 2.980 0 40 GFAB O=C(CCOc1cccc(F)c1)N1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 19294253 XFCZIACHVKFLGR-QGZVFWFLSA-N 398.394 2.640 0 40 GFAB CCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 19523392 LUHPXIGUFGJWRD-INIZCTEOSA-N 376.464 2.564 0 40 GFAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(N2CCCCC2)c2nonc12 19572292 BCNUYCSNZTUEKL-UHFFFAOYSA-N 381.436 2.781 0 40 GFAB CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)CCCc1ccc(F)cc1)CC2 19706468 CLSIHEFRTWHKKC-LJQANCHMSA-N 399.514 2.982 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccc(F)cc3)C2)c2cccnc21 19021805 UHOYGJLSXARWBP-KRWDZBQOSA-N 381.455 2.696 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)s1 206975653 RNZNMVIUAZTTSN-UHFFFAOYSA-N 383.491 2.804 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CCN([C@H]2CCSC2)CC1 225575481 DALDOMFXINBKHT-HNNXBMFYSA-N 395.956 2.921 0 40 GFAB CCn1c(S)nc2cc(C(=O)NCCOc3cccc(C)c3)ccc2c1=O 18147568 GCHXYOVYOIKIBT-UHFFFAOYSA-N 383.473 2.822 0 40 GFAB O=C(c1ccccn1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995349 PDVNDQFHTFJFIY-LBPRGKRZSA-N 377.242 2.565 0 40 GFAB Cc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4ccc(C)cn4)C3)C2=O)cc1 238863407 LEZTUTWSOVDBCA-IBGZPJMESA-N 394.475 2.620 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1ccsc1)c1ccco1 245093517 RRPOCKBXKUSMKE-FQEVSTJZSA-N 388.489 2.700 0 40 GFAB Cc1ncc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)n1 2037850033 JFDVQEBPMQLUBA-JOCHJYFZSA-N 394.475 2.522 0 40 GFAB O=C(Cc1ccccc1F)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985672 RSZITULRDAJXIM-XLIONFOSSA-N 382.435 2.649 0 40 GFAB COc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1OC 4326022 XLJCZRMQDXLDGA-UHFFFAOYSA-N 398.390 2.886 0 40 GFAB Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 5242005 SBTGMRYCUOQVFF-UHFFFAOYSA-N 394.382 2.804 0 40 GFAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccnc2)CSC3)c1 5381096 MHOCMIKFANFYMP-UHFFFAOYSA-N 393.472 2.577 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 9168758 NPOMSPJFLWJGMQ-UHFFFAOYSA-N 376.434 2.853 0 40 GFAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1 12422953 OYIBMODXBDAUSD-UHFFFAOYSA-N 398.444 2.582 0 40 GFAB COc1ccc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)c(OC)c1 1775973286 OVOWADNURYNEIE-UHFFFAOYSA-N 391.427 2.625 0 40 GFAB O=C(Cn1nnc2ccccc21)N1CCC(N2CCc3sccc3C2)CC1 225689556 XUSKOMRGIWIYKQ-UHFFFAOYSA-N 381.505 2.542 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccccc3Br)nc2n1 40158927 JZAPCTVDEUKIFR-UHFFFAOYSA-N 389.209 2.543 0 40 GFAB COc1ccc2nc(C)c(C(=O)O[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)cc2c1 30720207 TUGGDPVAOOBXMR-GUTXKFCHSA-N 386.448 2.733 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 32338619 DCJLZXZEQGYVAD-QGZVFWFLSA-N 390.530 2.745 0 40 GFAB CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1nc2ccccc2[nH]1 29783951 ANOTVHACGRRTNW-PBHICJAKSA-N 388.537 2.978 0 40 GFAB CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 29883610 GSARVLJNPYHNFX-UHFFFAOYSA-N 397.475 2.997 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 883468 JYTSHPUCFLPHPY-UHFFFAOYSA-N 388.445 2.510 0 40 GFAB COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 2326249 CFBFYAVKZKAOJH-QFIPXVFZSA-N 381.428 2.790 0 40 GFAB CN(C)c1ccc(C(=S)N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)cc1 2700730 FEIXHXXMXZXUTQ-UHFFFAOYSA-N 394.755 2.943 0 40 GFAB C[C@@H]1CN(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C[C@@H](C)O1 32895708 BIZGDUHSXVFRKW-PBFPGSCMSA-N 384.498 2.920 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCc3cc(=O)oc4c(C)c(C)ccc34)nc2n1 3406331 IOBBBVXVMLDYCI-UHFFFAOYSA-N 378.388 2.821 0 40 GFAB CC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br 3515560 DXUSESKZVPFYSV-UHFFFAOYSA-N 394.063 2.825 0 40 GFAB CC[C@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 4858860 BRBNPDGOYRACDB-SWLSCSKDSA-N 375.498 2.830 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H]4CCCN4c4ccccc43)ccc21 32916457 UNPIEJKUTSCYFE-QGZVFWFLSA-N 397.500 2.773 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 7295863 WWFJHUSZJZNXFI-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB O=S(=O)(NCCSCc1ccccc1F)c1ccc2c(c1)OCCO2 7688848 UBSHPPDHLFATRF-UHFFFAOYSA-N 383.466 2.809 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1 7871997 SFNPWTFYKPZZLO-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB CC(C)(C)NC(=O)NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8708825 VFPJYBWBPGFBSR-UHFFFAOYSA-N 384.461 2.749 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 57757027 ZNBCYMICNDWDCH-LJQANCHMSA-N 394.431 2.782 0 40 GFAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](C)NC(=O)c1ccoc1 53417335 PRSJYBMLQXPWRK-RYUDHWBXSA-N 379.254 2.908 0 40 GFAB C[C@@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(=O)N1CCOCC1 22501678 HGLMQRASLHCQLE-OAHLLOKOSA-N 391.427 2.701 0 40 GFAB Cc1nc2ccccc2n1C[C@@H](O)Cn1c2c(c3ccccc31)CCN(C)C2=O 958911 VLFGONXZMVTYDB-MRXNPFEDSA-N 388.471 2.989 0 40 GFAB biogenic COc1ccc(-c2noc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n2)cc1 23882398 GBKOLPQYOCKYJV-OAQYLSRUSA-N 390.399 2.639 0 40 GFAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccn2)CC1 12391830 DGGNYBRUPXWXPN-UHFFFAOYSA-N 376.460 2.870 0 40 GFAB CCOc1ccc(C(=O)N[C@H](NCCN(C)C)C(Cl)(Cl)Cl)cc1 20149937 XDSVJTLZDKCZDW-AWEZNQCLSA-N 382.719 2.663 0 40 GFAB CCN1C(=O)[C@](O)(CC(=O)c2ccncc2)c2cc(Br)ccc21 1432953 XYHBRPKLEUOQAV-KRWDZBQOSA-N 375.222 2.671 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)COc3ccc(N4CCCC4=O)cc3)cc2NC1=O 26455526 JQXNHRIBIVXXRV-ZDUSSCGKSA-N 395.415 2.550 0 40 GFAB COC(=O)c1sc2ncn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2c1C 1788306 ZEVLETHMQKVKRL-UHFFFAOYSA-N 391.836 2.845 0 40 GFAB CN1CCN(c2cc(CNC3CCN(Cc4ccccc4)CC3)ccn2)CC1 78459751 ZWWXSQOCDHOWOM-UHFFFAOYSA-N 379.552 2.588 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN12 35855840 WRRUROFEEKQBIT-MKXGPGLRSA-N 378.403 2.661 0 40 GFAB NC(=O)C1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)CCO4)cc2)CC1 58182706 USGHSMFBJLOEHN-UHFFFAOYSA-N 379.460 2.504 0 40 GFAB C[C@H]1CCc2c(sc3nc(SCCN4CCCCC4)n(N)c(=O)c23)C1 36646186 HODAKYUFURCYBF-LBPRGKRZSA-N 378.567 2.875 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4cnccn4)CC3)o2)cc1 11546157 DNNYZIMOUKNKHL-UHFFFAOYSA-N 377.448 2.721 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cn3ncsc3=S)CC2)c(C)c1 12819386 RHRGRORXHSDNKS-UHFFFAOYSA-N 398.579 2.563 0 40 GFAB O=C(Cn1cc(-c2ccc(F)cc2)[n+]2c1CCC2)Nc1ccc2c(c1)OCCO2 16995143 CIWDJWBTXKOSMZ-UHFFFAOYSA-O 394.426 2.938 0 40 GFAB O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCOCC1 63187539 GRKHFWHNORRJQI-UHFFFAOYSA-N 392.443 2.684 0 40 GFAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)o1 64098689 CSLRCKASRMJZHF-KRWDZBQOSA-N 376.416 2.720 0 40 GFAB Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 4183477 XNDICKHGHRTAPZ-MRXNPFEDSA-N 393.530 2.960 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)nc1 6083790 QRPVYHHTCNFMSU-GOSISDBHSA-N 376.526 2.827 0 40 GFAB Cc1ccc(NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1F 21000420 PBFSENJNOPRKLT-CQSZACIVSA-N 377.441 2.820 0 40 GFAB C[C@@H](OC(=O)CC1CCCC1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 39583397 WWWGOXUMHJEJBV-SNVBAGLBSA-N 386.370 2.671 0 40 GFAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)Nc3nc4ccccc4n3C2=O)c1 5209618 QNMIRPBUQTXKBE-QGZVFWFLSA-N 390.321 2.799 0 40 GFAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 5277646 ZOZNHPUOQPVUBT-IRXDYDNUSA-N 391.489 2.880 0 40 GFAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c1 65471035 MZHFTNASZPOXBX-CQSZACIVSA-N 394.435 2.562 0 40 GFAB CCc1cc(-c2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cs1 14000793 HZVQTGGZMKNNRL-UHFFFAOYSA-N 380.524 2.997 0 40 GFAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C[C@@H](C)O1 14121592 UXBMHCRFOPFONZ-MGPQQGTHSA-N 391.537 2.737 0 40 GFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 14162179 RUCQYMFFPOITNU-GOSISDBHSA-N 386.473 2.725 0 40 GFAB Cc1c(NC(=O)c2c(O)cc(F)cc2F)cccc1C(=O)N1CCOCC1 66050729 VMSPAZAXIWIDPW-UHFFFAOYSA-N 376.359 2.704 0 40 GFAB COc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)N1CCCCC1 5578708 USDTYMYDBLNANY-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB C[C@@]1(CSc2ccccc2C(=O)Nc2nc3ccccc3[nH]2)NC(=O)NC1=O 6604595 VTKPCKCVRTYMNF-IBGZPJMESA-N 395.444 2.505 0 40 GFAB CCCOc1ccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 4742726 QPMQTQKTMMRMDK-UHFFFAOYSA-N 396.491 2.938 0 40 GFAB O=C(OCC(=O)N1CCNC1=O)c1cc(-c2ccccc2)nc2ccccc12 5694401 QHYHGILEBPNGNL-UHFFFAOYSA-N 375.384 2.610 0 40 GFAB COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 14705576 KDEOYWMKIOZDQC-UHFFFAOYSA-N 395.502 2.901 0 40 GFAB CCCSc1nc(N(CCO)CCO)c2sc3c(c2n1)COC(C)(C)C3 6759227 WGFJAAGJAFMAAP-UHFFFAOYSA-N 397.566 2.836 0 40 GFAB CCS(=O)(=O)N(C)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 66842925 QPFWITTZFLOQDJ-UHFFFAOYSA-N 384.929 2.644 0 40 GFAB Cn1cnnc1SCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 7077421 LVBNJXWBLWQKRR-UHFFFAOYSA-N 395.488 2.518 0 40 GFAB CNc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1 7102847 MKPUHBSWZDAQDT-UHFFFAOYSA-N 391.522 2.983 0 40 GFAB CN(c1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1)S(C)(=O)=O 8884182 SKUUVTUAFKXYJR-UHFFFAOYSA-N 388.474 2.853 0 40 GFAB COCc1nc([C@@H]2COCCN2C(=O)Cc2c(Cl)cccc2Cl)no1 96001025 AUEUNRLSWLCDKU-ZDUSSCGKSA-N 386.235 2.665 0 40 GFAB CC1=Nc2ccccc2N=C(NC(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 19938257 OWQKHRURUKVTMO-QFIPXVFZSA-N 389.503 2.970 0 40 GFAB Cc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccnc1 72009035 YEFYFUCFRCAGAB-UHFFFAOYSA-N 383.473 2.823 0 40 GFAB C[C@H](N[C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1nnc2n1CCCC2 97162456 MPJJUHGQDOUXGF-OWCLPIDISA-N 393.532 2.680 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@H](N(CC)CC)C2)c1 72304982 LGKGMYWJUMNVGA-PXNSSMCTSA-N 388.556 2.912 0 40 GFAB O=C(OC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84392517 MCZZCBBNBGMLJS-ZDUSSCGKSA-N 382.463 2.670 0 40 GFAB COC(=O)[C@H](c1ccccc1)N(C)C(=O)CCCc1ccc2c(c1)CC(=O)N2 95398787 ZGRHURDJTZPTEC-NRFANRHFSA-N 380.444 2.877 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C(F)(F)F)cc1 408552304 LOYDOQFCVFJGJK-UHFFFAOYSA-N 379.338 2.707 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1ccn(C)n1 95999671 OSWDKVORGJAUSN-GOSISDBHSA-N 394.479 2.887 0 40 GFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)C1CCN(Cc2ccccc2)CC1 95980356 FETDLZOFVJDQPA-FQEVSTJZSA-N 382.508 2.839 0 40 GFAB Cc1cc(C)cc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 408733799 RHWPASTVJXMRNH-ZWKOTPCHSA-N 399.450 2.780 0 40 GFAB O=S(=O)(NCc1csc(Br)c1)c1cn2c(n1)CCCC2 503457882 MLNPJYSWLKYHHK-UHFFFAOYSA-N 376.301 2.522 0 40 GFAB O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1524987270 WGTVTJUXCWPDAR-NSHDSACASA-N 383.358 2.742 0 40 GFAB O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCC2(CC1)OCCO2 72328679 LQKHUCUCDRNQEF-UHFFFAOYSA-N 392.253 2.818 0 40 GFAB CC(=O)NCC(=O)N1CCC([C@@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 72372026 UFHUVHKBXPUBRO-HSZRJFAPSA-N 399.535 2.580 0 40 GFAB COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)Cn4cccn4)C3)n2)c1 72363103 SHLMKLPFRDUSDS-INIZCTEOSA-N 393.447 2.880 0 40 GFAB CCc1cc2oc(=O)cc(COC(=O)[C@@H]3CCCN(C(N)=O)C3)c2cc1Cl 32776529 QMGZCVGYPXREBE-GFCCVEGCSA-N 392.839 2.843 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218432261 SAMHDTTZRKOMFC-BQFCYCMXSA-N 379.865 2.540 0 40 GFAB COc1ccc(-c2nsc3c(=O)n(CCCN4CCCC4=O)cnc23)cc1 72347578 POGVAMYIIJLPJL-UHFFFAOYSA-N 384.461 2.541 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H](CC(=O)O)C1 566958001 WAEBWVKKMQWLES-MFKMUULPSA-N 375.391 2.879 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 77200847 GTJMIGBBRSWHGP-JBVUFVISSA-N 375.446 2.522 0 40 GFAB CCc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 224001449 CRDFTSZUILKNBD-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB Cc1ccc(CN2CCOC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)s1 96051307 HTRPGQLXFIUXTA-FQEVSTJZSA-N 390.480 2.830 0 40 GFAB CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1ccccc1)CC2 96260383 HQTQTAGXBFVORX-UHFFFAOYSA-N 378.520 2.984 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)NCc1ccccc1)C2 96227420 NQQREKMESAGOOY-SIKLNZKXSA-N 378.476 2.662 0 40 GFAB Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 582473129 MJZDGMMFFNDLAA-SFHVURJKSA-N 384.455 2.697 0 40 GFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(CC(C)=O)C1 96315621 SESBAAPAZCLYJO-GHTZIAJQSA-N 390.455 2.943 0 40 GFAB CCOc1cc(-c2nc([C@H](N)c3ccc(OC)c(OC)c3)n[nH]2)ccc1OC 95533914 ANNDFPCUYCHAGA-GOSISDBHSA-N 384.436 2.944 0 40 GFAB O=C(Cc1cccnc1)N1CCC2(CC1)CCN(C(=O)COc1ccccc1)C2 96046684 UOVPYKSJYWROAE-UHFFFAOYSA-N 393.487 2.544 0 40 GFAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccccn3)CC2)Oc2ccccc21 96053286 JQINUDCKEOWSRY-INIZCTEOSA-N 379.460 2.759 0 40 GFAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H]1c1cccs1 245237841 YZYFIQSNJHANAG-WFASDCNBSA-N 379.507 2.560 0 40 GFAB COC(=O)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257333818 YDEKVSUXAFQKSI-UHFFFAOYSA-N 386.423 2.516 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)NC(C)(C)CC(C)(C)C)Oc2ccccc21 260841643 BFQHGCZKFWXHHW-MRXNPFEDSA-N 382.526 2.935 0 40 GFAB COCCn1cc(CNC(=O)N2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)cn1 661130005 ZRMWVICEFZKCOJ-KDOFPFPSSA-N 392.887 2.855 0 40 GFAB COc1ccc(CNC(=O)Nc2ccccc2-c2ccc(=O)[nH]n2)cc1OC 90614093 CQXHWPWEXPNGJS-UHFFFAOYSA-N 380.404 2.776 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc([C@@H](C)N)cc2)CC1 645206223 KOXSSZGTBYFZEX-QGZVFWFLSA-N 394.519 2.665 0 40 GFAB O=C(NCc1nnnn1C1CC1)N1CCC(CCc2ccc(F)cc2F)CC1 654465480 UKRYQLCHTKVXOF-UHFFFAOYSA-N 390.438 2.841 0 40 GFAB COc1ccc2cc(C(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)[nH]c2c1 96104306 JFNICCPFSZDMOC-UHFFFAOYSA-N 388.420 2.614 0 40 GFAB O=S1(=O)CCN(S(=O)(=O)c2ccccc2Cl)CC[C@@H]1c1ccccc1 390829514 FCHFUKWQTGTREK-MRXNPFEDSA-N 399.921 2.891 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@H]1c1nccnc1Nc1nccs1 585292546 KJYLXHXGTWFJNP-NFAHFFEMSA-N 378.461 3.449 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CCC[C@@H](O)C1)C2 585104138 LUMSSBWHAVZRPK-WOJBJXKFSA-N 386.536 2.717 0 40 GFAB O=C(CCc1ccco1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615124922 YIOCMNKMWGQILW-NRFANRHFSA-N 386.423 2.776 0 40 GFAB CNC1CCC2(CC1)CN(C1CCN(C(C)=O)CC1)C(=O)c1cc(C)ccc1O2 1615123615 UBGCHDAJHKOTGQ-UHFFFAOYSA-N 399.535 2.741 0 40 GFAB O=C(c1ccncc1F)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775970302 AQNNXKFIWWNKDO-UHFFFAOYSA-N 378.407 2.922 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1 11710344 ALAFGOULXOTVLV-CYBMUJFWSA-N 379.507 2.888 0 40 GFAB COc1ccc(CN(Cc2[nH]cnc2C)C[C@@H]2CCCO2)c(OC)c1OC 12116772 KQLJLYPRSSWYAY-INIZCTEOSA-N 375.469 2.925 0 40 GFAB Cc1ncc(-c2ccccn2)c(CCNC(=O)Cc2ccc3c(c2)OCCO3)n1 12234593 PPJVOPNLFNUBSS-UHFFFAOYSA-N 390.443 2.520 0 40 GFAB CS(=O)(=O)Nc1cc(NC(=O)COc2ccc3c(c2)CCC3)ccc1F 12783276 YTIDDERPFPZBPT-UHFFFAOYSA-N 378.425 2.703 0 40 GFAB O=S1(=O)CC[C@@H](Nc2ncc(-c3ccsc3)c(-c3nccs3)n2)C1 13268370 BWJPERKWFBAXFC-LLVKDONJSA-N 378.504 2.928 0 40 GFAB CN(Cc1ccc2c(c1)NC(=O)CO2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 509099481 XPSBDAJLEAHOSO-OAHLLOKOSA-N 392.864 2.631 0 40 GFAB CCOc1ccc(CN2CCC[C@@H](c3nc(COC)cc(=O)[nH]3)C2)cc1OC 19533822 ZLDCEUYJVYFCCH-MRXNPFEDSA-N 387.480 2.703 0 40 GFAB CCNc1cnc(-c2noc([C@@H]3CC(=O)N(c4ccccc4OCC)C3)n2)cn1 585084902 SGNWNNXMBCJLPE-CYBMUJFWSA-N 394.435 2.878 0 40 GFAB CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 3412290 ASRZYKOKCMDSMD-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB COc1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)CC3)cc2)c1 244933122 CCHUNQQAWXARSD-UHFFFAOYSA-N 394.427 2.946 0 40 GFAB O=C(c1ncc(F)cc1F)N1C[C@H]2CCN(c3ncccc3F)CC[C@H]2C1 2056223693 ATRFWUSWACXMHB-BETUJISGSA-N 376.382 2.883 0 40 GFAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C(C)C 4940354 XUJXBLSSABNFLS-DHZHZOJOSA-N 377.448 2.752 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1C 5329639 FVERVCHNOOKXTQ-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(Br)o1 9570786 XXOPPUPOAWQYIY-UHFFFAOYSA-N 382.605 2.601 0 40 GFAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4C)CC3)NC2=O)cc1 9526758 RSSQIVXFHTWYFK-UHFFFAOYSA-N 390.487 2.653 0 40 GFAB O=C(Cc1cccs1)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11693850 CUDCZTXFMNMTDO-UHFFFAOYSA-N 397.435 2.730 0 40 GFAB COCc1cnc2c(c1SCc1ccccc1Cl)c(=O)n(C)c(=O)n2C 15883827 IIAMXHYSRQQLAR-UHFFFAOYSA-N 391.880 2.724 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 16847836 UVBRSXUZVFHSHG-QGZVFWFLSA-N 384.461 2.592 0 40 GFAB CCOc1ccc(-n2cc(C(=O)O[C@@H]3CCOC3=O)c3ccccc3c2=O)cc1 21359996 ANDAAGGSOIHJJD-LJQANCHMSA-N 393.395 2.862 0 40 GFAB C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1nc(C(C)(C)C)no1 40057376 KSMACTYMJRJPIC-NXEZZACHSA-N 386.499 2.581 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)cc1C 40072668 YUJJURVXEGVPPE-INIZCTEOSA-N 387.505 2.729 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)c2cc3ccc(F)cc3nc2C)CC1 40094728 FNOBXTSWBZUPTC-UHFFFAOYSA-N 393.484 2.616 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1Cl 40149767 ZOACDTHKDIDHJF-UHFFFAOYSA-N 380.901 2.754 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1CCCNCc1csc(Br)c1 30628172 RLDYUYVACFJEOV-UHFFFAOYSA-N 386.315 2.855 0 40 GFAB Cc1nccn1Cc1cccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)c1 30658381 YTQURJMGCCKNSZ-UHFFFAOYSA-N 397.500 2.714 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(Br)c1 101096872 HGQAJIWVKGHGOD-HIFRSBDPSA-N 389.180 2.881 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)CCC4)cc(C(C)C)nc21 32060801 YSHMLLJXSLRJME-UHFFFAOYSA-N 392.459 2.969 0 40 GFAB COc1ccc(CCNC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1OC 21306013 FTVVKBATPCQIFO-OAHLLOKOSA-N 376.478 2.692 0 40 GFAB CCOc1ccc(N2C(=O)/C(=C\NCCN(C)C)c3ccccc3C2=O)cc1 102305206 FEEBEIJKGSKJMM-HKWRFOASSA-N 379.460 2.764 0 40 GFAB O=C(NCC(=O)N1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 2556586 HPTFPWMPQFBSHP-LJQANCHMSA-N 394.427 2.601 0 40 GFAB O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCCCC1 4554502 JDDRWAWQYISXHT-WPVAHCMFSA-N 380.488 2.641 0 40 GFAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 6630172 YFMVQZYAMAALIM-OQLLNIDSSA-N 384.392 2.924 0 40 GFAB CCN(CCNC(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(C)c1 7792088 VDWBMKAOBSKILE-UHFFFAOYSA-N 379.460 2.624 0 40 GFAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc2c(O)[nH]c(=S)nc2c1 47093049 OHENZBBBHDCJHR-CQSZACIVSA-N 377.372 2.740 0 40 GFAB C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)Cn1cccn1 47420739 UMNVERFDGYYMPR-KGLIPLIRSA-N 394.397 2.707 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](NCCN1CCOCC1)c1ccccc1 22038917 KHKYVUVOYAFRNX-OAQYLSRUSA-N 383.492 2.687 0 40 GFAB CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 33325591 IHLGJXJKQBIUDR-MRXNPFEDSA-N 375.494 2.700 0 40 GFAB COc1cccc2cc(C(=O)N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)oc12 103447934 DQEPIQSDOHKXLV-OAHLLOKOSA-N 399.491 2.647 0 40 GFAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 23637426 HKMRBICUHXUSPY-ZIAGYGMSSA-N 380.400 2.550 0 40 GFAB C/C=C/C=C/C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 54581992 GTHPRNRLJSIMFB-DSXPNFDZSA-N 381.398 2.920 0 40 GFAB CCCNC(=O)C1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 42735273 QTHZZKQWICAIPY-UHFFFAOYSA-N 386.540 2.599 0 40 GFAB NC(=O)c1cccnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 24055405 RMMADEZQXQOLHH-UHFFFAOYSA-N 378.398 2.912 0 40 GFAB COc1cccc(CN(C)c2ccc(S(=O)(=O)Nc3ccccn3)cn2)c1 24528897 FJHHGIAWPZWMEQ-UHFFFAOYSA-N 384.461 2.922 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 103099306 NJTIPEZDFSWMHQ-KYEXWDHISA-N 392.525 2.877 0 40 GFAB CC1(C)CC(NC(=O)Cn2c(S)nnc2-c2cccs2)CC(C)(C)N1 25139160 KNLGDUMCWXTIQM-UHFFFAOYSA-N 379.555 2.721 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1cccs1 48278647 YNRDEXPBCPAPPE-APWZRJJASA-N 382.489 2.955 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 3363912 RYOZNPDHKUDYOK-QGZVFWFLSA-N 376.478 2.640 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F 12765224 BRKRATSRNIUMAS-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB NC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1 10026736 ZLVASAYJZLHQKR-HNNXBMFYSA-N 394.460 2.703 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@H](C2)N3Cc2[nH]c3ccccc3c2C)n1 100737822 WWZZKLSNTFSEKT-QZTJIDSGSA-N 392.503 2.900 0 40 GFAB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 58192769 XSCXWUOLUIFDNS-PGRDOPGGSA-N 397.496 2.976 0 40 GFAB Cc1ccccc1-c1c2c(nc3nc(N4CCOCC4)[nH]c(=O)c13)CCCC2=O 20673666 DWKYWAUPQNHNGA-UHFFFAOYSA-N 390.443 2.649 0 40 GFAB COc1ccc2[nH]cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)c2c1 44903505 QVXPWSBNASCDKD-UHFFFAOYSA-N 384.388 2.815 0 40 GFAB CC1([C@@]2(O)CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)OCCO1 118926406 KZHAEHCUKWOTPE-LDIGTXGYSA-N 394.552 2.855 0 40 GFAB COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(OC)c1OC 12813044 JVXSZKWNEOUWEF-INIZCTEOSA-N 376.428 2.884 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1OCC 3452307 VGMARQWJAAZMQU-UHFFFAOYSA-N 386.404 2.581 0 40 GFAB COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 13068678 OUVDNROLDOJWES-UHFFFAOYSA-N 384.404 2.589 0 40 GFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8622952 MAXBJMYNWGWUCK-LJQANCHMSA-N 386.791 2.719 0 40 GFAB Nc1n[nH]c(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n1 8671418 NNJKBEZMZWMYFM-UHFFFAOYSA-N 391.460 2.970 0 40 GFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc2ncsc2c1 23892843 DCNKRVNAHVCDHK-UHFFFAOYSA-N 396.472 2.886 0 40 GFAB CCOc1ccc(CN(C(=O)/C=C/c2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 5180372 JDESPRMDGNUNPO-OAGJVSPASA-N 389.473 2.907 0 40 GFAB COc1ccc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5180355 JXAFHDIWMOCHPE-KRWDZBQOSA-N 377.437 2.664 0 40 GFAB COc1ccccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 6226497 DREBJUANCYKKFZ-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB COc1ccc(CCN[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)O)cc1 6581968 HGRYEIBMPYFFAP-QGZVFWFLSA-N 376.840 2.963 0 40 GFAB Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1C 8944683 BJDIKYPKIZTNKZ-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB CCCCc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1 6605026 JZWFFQBZKSQBSH-UHFFFAOYSA-N 392.525 2.732 0 40 GFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 5602545 SVVZOVPYIBVHRD-UHFFFAOYSA-N 390.280 2.653 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 5659171 PNTOXYIYTIDUOH-INIZCTEOSA-N 387.505 2.853 0 40 GFAB O=C(c1ccoc1)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306129023 HRTGFWALCQWCEU-SFHVURJKSA-N 375.388 2.598 0 40 GFAB CC(=O)Nc1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1 5802067 JDFFVPFNGHVZBO-UHFFFAOYSA-N 376.796 2.859 0 40 GFAB CCCn1c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc21 4900472 XUBOSKOGCFDGKI-UHFFFAOYSA-N 386.477 2.949 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 15359721 MKLYJSUKSOLBHU-UHFFFAOYSA-N 387.461 2.710 0 40 GFAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)cc1)CC3 67349883 NXKVAYHLZNZAGB-UHFFFAOYSA-N 395.434 2.981 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc(OC)c(F)c3)c(=O)c12 7554298 MSJILIQXPWOKDO-UHFFFAOYSA-N 388.351 2.505 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CSc2nnnn2C2CCCC2)n1 8160680 YGKGAYGQOZGBKU-UHFFFAOYSA-N 383.485 2.900 0 40 GFAB CCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1S(=O)(=O)N(C)C 8348520 CWPYSXPFCPEQDI-UHFFFAOYSA-N 395.481 2.512 0 40 GFAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C 8391340 CVIYTVABFHKCIQ-GFCCVEGCSA-N 380.441 2.576 0 40 GFAB Cc1sc2nc([C@@H](C)Sc3nnnn3C[C@@H]3CCCO3)[nH]c(=O)c2c1C 9548467 HBIZGSWYRCTRDO-MNOVXSKESA-N 392.510 2.620 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2oc3ccccc3c2C)C1=O 9645855 COYCAIOFMIPUDG-UHFFFAOYSA-N 386.404 2.578 0 40 GFAB COc1cc(-c2nn(CN3C[C@H](C)O[C@@H](C)C3)c(=S)o2)cc(OC)c1OC 25157460 CLSPITKJKCEVNV-RYUDHWBXSA-N 395.481 2.965 0 40 GFAB COCCn1cc(CCC(=O)NCc2nnc3ccccn23)c2ccccc21 95472344 OLCXCYILLUPLEE-UHFFFAOYSA-N 377.448 2.579 0 40 GFAB CC(C)c1cccc(S(=O)(=O)N2CCCc3ccc(S(N)(=O)=O)cc32)c1 95961864 COKDAIYQCBRDJF-UHFFFAOYSA-N 394.518 2.599 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)C1CCOCC1 95998588 UBSWEBGLRHAYEE-LJQANCHMSA-N 387.455 2.955 0 40 GFAB COc1ccc(O[C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 23240203 OAVAQKPPZWOJLK-QGZVFWFLSA-N 384.476 2.611 0 40 GFAB C[C@H](C(=O)NCc1nc2ccccc2[nH]1)n1nc(-c2cccs2)ccc1=O 56905937 BWNRYYQWMSDSHN-GFCCVEGCSA-N 379.445 2.726 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1Cl 409226377 VNWDOAAJWLTOBW-UHFFFAOYSA-N 398.802 2.873 0 40 GFAB COc1cccc(C(=O)N2CCN(Cc3ncccc3Cl)CC2)c1OC 528364321 NYMKZSZUWOFUIM-UHFFFAOYSA-N 375.856 2.710 0 40 GFAB C[C@]1(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C(=O)N=C2C=CC=CN21 72346714 RHYKWIUJWVYOSK-IERDGZPVSA-N 375.432 2.699 0 40 GFAB CC(C)[C@H](C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1ccc(F)cc1 1534065099 OYSOMAVYIWRHGG-SFHVURJKSA-N 390.436 2.930 0 40 GFAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc21 35588219 RXYYEAVNSXXCKM-UHFFFAOYSA-N 376.478 2.895 0 40 GFAB O=C(NCCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31480977 YQTNVPHSLPBCFY-IBGZPJMESA-N 386.517 2.836 0 40 GFAB COc1c(C)cc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1C 70922217 BLJGUGSXCFKEHQ-UHFFFAOYSA-N 389.521 2.902 0 40 GFAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NC[C@@H]1CCCO1 227159308 GMOSZKUWQGVEGO-JSGCOSHPSA-N 394.269 2.697 0 40 GFAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cccs1 225126804 ZGJKTQJNIDHIKR-UHFFFAOYSA-N 385.463 2.524 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1 224009618 IVVQWUVCYYBDAX-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1 223911699 RQRQQDVOCHUBKQ-UHFFFAOYSA-N 389.458 2.934 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225210256 XLWDZHHKQDEJRZ-INIZCTEOSA-N 382.460 2.554 0 40 GFAB Cn1cc(-c2nc(C3CCN(C(=O)C4(C)CC4)CC3)cc3c2ncn3C)cn1 96155616 REMAURIVPDDGJO-UHFFFAOYSA-N 378.480 2.875 0 40 GFAB Cc1ccsc1C(=O)N1CCC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225093 CFUJOVQLCHJEDN-HXUWFJFHSA-N 398.488 2.519 0 40 GFAB COc1cccc2c1[C@H](C(=O)N1CCN(C(=O)Cc3ccccc3C)CC1)CC2 580100425 BTQYVQZEMYHDFK-HXUWFJFHSA-N 392.499 2.947 0 40 GFAB O=C(c1cccc2ncccc12)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075568 QVELOOZWONSYLM-FDDCHVKYSA-N 395.503 2.578 0 40 GFAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(S(=O)(=O)CC)CC2 96037048 VFNZUAFNQDNBJE-UHFFFAOYSA-N 388.537 2.526 0 40 GFAB CC(C)NC(=O)OC1CN(C(=O)c2cnc(-c3ccc4c(c3)CCO4)s2)C1 585083436 QPVPCRQNCGYAGG-UHFFFAOYSA-N 387.461 2.704 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c1 585082039 UHUPXZSXHCQHMZ-MRXNPFEDSA-N 396.900 2.727 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 257255467 KHOSSVCLIOURAU-LJQANCHMSA-N 393.447 2.920 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257268822 MNIRWDURHOATLP-INIZCTEOSA-N 390.440 2.664 0 40 GFAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)o2)c1 257301949 SASGQXBJDZMLLL-QGZVFWFLSA-N 397.475 2.602 0 40 GFAB CN(C[C@H](O)C1CC1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 645752532 LXHYDNRROBSGAX-INIZCTEOSA-N 377.872 2.927 0 40 GFAB C[C@@H](C(=O)Nc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1)n1cccn1 655745709 ZWDIGEDHUXKTOH-JXFKEZNVSA-N 383.496 2.748 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C(=O)O)c1ccccc1Br 659192498 XFBORANVPNKHLS-BJOHPYRUSA-N 394.269 2.845 0 40 GFAB CC(C)Nc1nc(NCCO)nc(N[C@H](Cc2ccccn2)c2ccccc2)n1 672253844 UFBMWXWCPQQGJL-GOSISDBHSA-N 393.495 2.887 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 96099487 MYRHNLKXIAIRSV-UHFFFAOYSA-N 397.493 2.761 0 40 GFAB COc1cccc([C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N(C)C)c1 52839540 ZBAPPRIODSBPCE-HXUWFJFHSA-N 381.476 2.855 0 40 GFAB CCCN(Cc1cc(=O)n(C)c(=O)n1C)[C@H](C)c1ccccc1Br 59121741 LHIFMHVLMXDSFX-CYBMUJFWSA-N 394.313 2.820 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615159188 OOKGEVLGPULHBQ-LJQANCHMSA-N 389.452 2.629 0 40 GFAB COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(OC)cc1)N2 5200806 GJKPKDDWCHXMBJ-ZFWWWQNUSA-N 398.385 2.928 0 40 GFAB CC[C@@]1(c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CCC(=O)NC1=O 5260017 HYVMCKRMBIDPHO-FQEVSTJZSA-N 386.473 2.713 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)c(C)c1 11693989 UHTGKHRPJQAEMJ-UHFFFAOYSA-N 398.488 2.864 0 40 GFAB COCC(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 12085351 QCDIZNBBYRWSIS-CYBMUJFWSA-N 382.382 2.966 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n1 12118600 MJJBVGXJAOZUKN-KRWDZBQOSA-N 392.463 2.962 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccccc1I)C31CC1 15767930 KXTANTNNZLNZLA-IOQCUFBNSA-N 391.208 2.993 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 19590474 AVZUHSNKJCQCFY-QGZVFWFLSA-N 382.508 2.861 0 40 GFAB COCC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3ccccc3OC)nn12 19592697 QWAUSUZPSZMMPB-DYVFJYSZSA-N 378.432 2.640 0 40 GFAB O=C(NC1CCOCC1)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 19706076 ZTUTYSXYEMHZPA-GOSISDBHSA-N 380.492 2.765 0 40 GFAB Cc1ccccc1OCCC(=O)N1CCc2nnc([C@H]3CCCCN3C)n2CC1 19706444 PQKCONKUZLRKII-GOSISDBHSA-N 397.523 2.597 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 19715540 QPMOBWMWZHMTAO-HNNXBMFYSA-N 398.486 2.946 0 40 GFAB Cc1ccc2ncccc2c1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 19719120 VYRUYNIMWVIVTB-UHFFFAOYSA-N 399.472 2.811 0 40 GFAB COc1ccc([C@@H]2CN(S(C)(=O)=O)C[C@H]2c2cc(C(F)(F)F)[nH]n2)cc1 12128815 GRAXDWSGSINHOJ-QWHCGFSZSA-N 389.399 2.580 0 40 GFAB CCOC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CCN(C(C)=O)CC1 12275219 MBIMHMQANRKKSX-HNNXBMFYSA-N 376.428 2.901 0 40 GFAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc1Cn1nc(C)cc1C 19574404 LOYIKWXWFBACPT-VXKWHMMOSA-N 398.551 2.588 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc3nsnc3c2)CC1 1889214369 OMNIBQLWCNKKKX-UHFFFAOYSA-N 388.884 2.876 0 40 GFAB COc1cccc2sc(N3CCN(Cc4c5c(nn4C)CCC5)CC3)nc12 1849502297 KSCWNHATTPDFDG-UHFFFAOYSA-N 383.521 2.849 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)Oc2ccc(N3CCCC3=O)cc2)C1=O 26867842 MVABJANMDOPCCJ-OAHLLOKOSA-N 394.427 2.923 0 40 GFAB COc1ccc(CCNC(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1 245070558 QOWJBQIXSGEGPB-SFHVURJKSA-N 389.521 2.920 0 40 GFAB O=C(CSc1ccc(-c2ccncc2)nn1)NCc1ccc2c(c1)OCO2 4358098 QILIQIKWBISAQW-UHFFFAOYSA-N 380.429 2.676 0 40 GFAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(CCc2ccccc2)CC1 2055708135 NTCDPPSSDOCWBJ-UHFFFAOYSA-N 380.414 2.595 0 40 GFAB COc1cc2ncnc(N3CCC[C@@H](COc4cnccn4)C3)c2cc1OC 2298230606 OXOBJVUMWGURMC-CQSZACIVSA-N 381.436 2.732 0 40 GFAB NC(=O)C1CCN(Cc2cccc(NC(=O)C3=Cc4ccccc4OC3)c2)CC1 40134780 JRWWQVVMVPUJII-UHFFFAOYSA-N 391.471 2.798 0 40 GFAB CCn1nnc2cc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)ccc21 40011967 DSFLYGSFWXDWSC-HNNXBMFYSA-N 375.436 2.514 0 40 GFAB CCOCc1ccccc1NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 50178885 NNJUPZATAXBITL-UHFFFAOYSA-N 395.459 2.718 0 40 GFAB COc1ccccc1N1CCN([C@@H]2OC(=O)c3c2ccc(OC)c3OC)CC1 31807848 KYUOJDLUNQCDLT-HXUWFJFHSA-N 384.432 2.704 0 40 GFAB COC(=O)c1ccc(NC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 51356011 OQXHLZHBJCOKOY-UHFFFAOYSA-N 386.360 2.690 0 40 GFAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OCC)c1 51448921 MSUZSTIJUMZKIU-ROUUACIJSA-N 395.415 2.861 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]23)c1OC 101303091 CXZZROQEYUOPBU-APWZRJJASA-N 380.400 2.613 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)NCc1ccco1)CC3 20762361 XGRIFWOVRCPSKA-UHFFFAOYSA-N 381.432 2.751 0 40 GFAB biogenic COc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20827523 ZPBMLYPIEHOTNN-UHFFFAOYSA-N 386.477 2.936 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCc2cccc(OC)c21 46303109 GCBOHQSHARMCCL-UHFFFAOYSA-N 377.418 2.544 0 40 GFAB COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)N(C)C 32695551 IYHRMAVXKOVPGD-IBGZPJMESA-N 399.491 2.560 0 40 GFAB O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1 2651207 CEJGFKPNBITPIC-UHFFFAOYSA-N 398.406 2.852 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C(=O)N2CCOCC2)CC1 32797194 YULRVSHBDYWULK-OAHLLOKOSA-N 393.915 2.546 0 40 GFAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 3386548 XKSSYVOQBXABDR-LBPRGKRZSA-N 387.388 2.659 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CC[C@H](C)C3)NC(=O)N[C@@H]1C 4885811 GDLJWBMGRDZQTR-WDEREUQCSA-N 392.477 2.548 0 40 GFAB COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccccc3OC)cc21 4965767 JVWJGNPAVWPVCR-UHFFFAOYSA-N 398.415 2.625 0 40 GFAB O=C1CN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2Cl)CCN1 32916653 MKCQCEAVQMSFDA-UHFFFAOYSA-N 397.818 2.635 0 40 GFAB O=C(/C=C/c1cccs1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8855633 NMQHNRCXPRRVPW-GQCTYLIASA-N 396.465 2.560 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccccc1)n2CCc1ccccc1 827957 HFEXCHRMLLKFBK-UHFFFAOYSA-N 392.484 2.958 0 40 GFAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cc(C4CC4)nn3C)n(C)n2)CC1 100687708 HVTUFDKTAUVBOB-IYBDPMFKSA-N 398.555 2.796 0 40 GFAB COc1ccc(OC)c(C(=O)CSc2nc3sccc3c(=O)n2C)c1 25488411 NVOAZMKMOJRXAR-UHFFFAOYSA-N 376.459 2.987 0 40 GFAB CCN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1nc2ccccc2c(=O)[nH]1 25500276 DBVSYQGVEVUFQM-UHFFFAOYSA-N 378.432 2.586 0 40 GFAB COCCNC(=O)c1ccccc1NCC(=O)N1CCC[C@H]1c1cccs1 26221363 DDEMLJUQHCPXSC-KRWDZBQOSA-N 387.505 2.900 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 57427182 ZIILJJQTWHPLSM-UHFFFAOYSA-N 375.425 2.803 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N2CCN(c3nccs3)CC2)cc1Cl 57460480 ZYDPOBGHGCDADS-GFCCVEGCSA-N 380.901 2.954 0 40 GFAB CC(C)COCCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 57981641 CUTUCYZOJNHRNF-UHFFFAOYSA-N 382.526 2.654 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1 69041207 ARRMMKFXYSIMDM-UHFFFAOYSA-N 375.471 2.722 0 40 GFAB COc1ccc(/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)c(OC)c1 2366491 XIRCITFCHBEVHI-YVLHZVERSA-N 379.441 2.691 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(F)cc1F 10971039 OMZBOWDSTAJPHS-LBPRGKRZSA-N 387.386 2.801 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c1C 36614747 SUHWRGSSJDSCIB-UHFFFAOYSA-N 396.944 2.680 0 40 GFAB O=C(CSCc1nc2ccccc2s1)NCCc1nnc2ccccn12 12978921 GYHQOSSVMGSUON-UHFFFAOYSA-N 383.502 2.931 0 40 GFAB CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 8726615 PMDXTMJLOUZMKK-UHFFFAOYSA-N 399.881 2.503 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H]3CCS(=O)(=O)C3)cc12 64357212 AIECKTPPLHDIBJ-CYBMUJFWSA-N 376.459 2.739 0 40 GFAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(CC)cc2)c1=O 64987593 XJMNSKYCBWZCES-UHFFFAOYSA-N 392.459 2.970 0 40 GFAB COc1ccc([C@@H](NC(=O)CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1 8943254 ZVGHBIXNGBWVMQ-FQEVSTJZSA-N 378.428 2.949 0 40 GFAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccco2)cc1 5346318 OHMSCIICEKACOZ-FQEVSTJZSA-N 391.427 2.727 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCCSc1nnc(CN2CCCC2)o1 6542912 DHSDIPLNMBCVGW-UHFFFAOYSA-N 386.477 2.834 0 40 GFAB Cc1ccc(CSCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 9156545 DTLFLCNSZMZANO-UHFFFAOYSA-N 386.473 2.503 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1 6719573 YLZVPUGDMQPOIT-UHFFFAOYSA-N 390.486 2.885 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 6778229 IKFHSHVJRHJPMS-XLIONFOSSA-N 398.459 2.771 0 40 GFAB O=C(CNC(=O)c1cccs1)OCc1nnc(-c2ccc(Cl)cc2)o1 7563592 ZMYQLRIVIHKMDI-UHFFFAOYSA-N 377.809 2.925 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1ccccc1F 9389970 OKBZADXGVRQIEF-UHFFFAOYSA-N 379.457 2.975 0 40 GFAB COC[C@H](C)n1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N(C)C 8429001 OJQZDNHPBYKKGM-QWHCGFSZSA-N 396.488 2.772 0 40 GFAB CSc1ccc(COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 8489861 NCFVYDILEMLRBB-GFCCVEGCSA-N 390.486 2.579 0 40 GFAB COc1ccc2c(C)c(CCC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc2c1 8490996 GDZUBEMPFVMEMY-LJQANCHMSA-N 381.428 2.892 0 40 GFAB biogenic COc1cc(CC[C@@H](O)C[C@@H](O)CCc2ccc(O)cc2)cc(OC)c1O 96934667 OJGXSPXNGOVDNO-ZWKOTPCHSA-N 376.449 2.792 0 40 GFAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)c1cc(Br)c2c(c1)OCCO2 84456852 VUGQETBDUYWHGA-LBPRGKRZSA-N 386.242 2.538 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)COc2cccc(Oc3ccncn3)c2)cc1 95431450 CCHABFFBUQVXMN-UHFFFAOYSA-N 392.415 2.988 0 40 GFAB CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 95957293 AUEMCDBUVXACJH-SFHVURJKSA-N 391.475 2.906 0 40 GFAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccc4nnc(C)n4n3)C2)cc1 95959194 VRUWLIBHGNWADK-INIZCTEOSA-N 379.468 2.779 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(OC(C)C)c3)ccc21 113970495 BQDVABUHUCZMGR-UHFFFAOYSA-N 388.489 2.861 0 40 GFAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 22522690 GXDQPPSMOISYDH-UHFFFAOYSA-N 381.451 2.911 0 40 GFAB CC[C@H](NC(=O)C(=O)N1CCN(c2ccccc2F)CC1)c1nc(C)cs1 553328316 MCRYGEVDXAIKFY-HNNXBMFYSA-N 390.484 2.507 0 40 GFAB COCC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccccc3)C(=O)C[C@@H]12 306127847 GIWBUVGXFJVOHT-ZJSXRUAMSA-N 392.499 2.994 0 40 GFAB O=C(c1ccccc1)N1CCO[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306130992 JUDFCRDHLPVDNV-SFHVURJKSA-N 377.448 2.543 0 40 GFAB CN(CCCc1nc2ccccc2[nH]1)C(=O)CCN1C(=O)COc2ccccc21 64444454 WTAZENOZRUJQOI-UHFFFAOYSA-N 392.459 2.770 0 40 GFAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)C(C)(C)C)cc3)nn12 408628024 PNVXVDVHGBYEMX-UHFFFAOYSA-N 388.522 2.698 0 40 GFAB O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOc2c1ccc(F)c2F 557045601 LTYXGPFLEBPZJT-GFCCVEGCSA-N 379.384 2.651 0 40 GFAB O=C(CN1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1)N1CCCCC1 72383549 NQLYKFNYABEQLE-QGZVFWFLSA-N 381.480 2.856 0 40 GFAB Cc1c(C(=O)N2CCc3nnc([C@H]4CCCCN4)n3CC2)[nH]c2ccc(F)cc12 72372819 CNKKDRFOELNDJT-QGZVFWFLSA-N 396.470 2.720 0 40 GFAB Cn1ccnc1CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCCN12 72342675 HKAQPWKSKYTNDL-UHFFFAOYSA-N 384.915 2.944 0 40 GFAB CN(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1 219283486 BKNOLJDZOPVLKB-UHFFFAOYSA-N 381.885 2.578 0 40 GFAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(-c2ccccc2)cc1 71980023 XHKAHGVAWRCHSQ-IBGZPJMESA-N 380.444 2.701 0 40 GFAB CCCCc1nnc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)s1 44890421 FTYBWRRAXLVYOK-ZDUSSCGKSA-N 387.465 3.000 0 40 GFAB COCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 224339316 MAEYKWMCHOADQZ-UHFFFAOYSA-N 396.896 2.850 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224062640 UMRGCRFBFPEDIO-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 225880311 NASRVTBIMKNKPR-VIFPVBQESA-N 387.914 2.992 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223607181 ALMUQAHYZXNWPE-OALUTQOASA-N 379.489 2.622 0 40 GFAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220297356 FQMKAVBHEMPSHB-AWEZNQCLSA-N 396.509 2.889 0 40 GFAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)Nc1ccc2c(c1)OCO2 253400703 LNBKKERFZAARLC-OAHLLOKOSA-N 375.450 2.920 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257211862 CAUSJSKZIOEUBI-KRWDZBQOSA-N 397.479 2.600 0 40 GFAB CC(C)n1cc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)nn1 585083594 JPOVVUDCQOAGSF-UHFFFAOYSA-N 396.461 2.919 0 40 GFAB Cn1ncnc1[C@H]1COCCN1C(=O)CCCn1ccc2cc(Cl)ccc21 585081141 ABIARGXVRXMNPA-QGZVFWFLSA-N 387.871 2.804 0 40 GFAB C[C@H](C(=O)Nc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1)n1cccn1 655745711 ZWDIGEDHUXKTOH-OXQOHEQNSA-N 383.496 2.748 0 40 GFAB CCOc1ccccc1CNS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 656884429 ZDSLLQFZZYBNGD-UHFFFAOYSA-N 394.518 2.530 0 40 GFAB O=C(NC1CCN(c2nccs2)CC1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 96099832 OAXPPSMLKJBCBR-UHFFFAOYSA-N 397.460 2.661 0 40 GFAB Cn1cncc1[C@@H]1CNC[C@H]1CNC(=O)c1ccccc1NC1CCCCC1 1615593233 ZIACPSRODXLQJU-QFBILLFUSA-N 381.524 2.898 0 40 GFAB CN(C[C@H]1CC2(CCN(C(=O)c3ccccc3)CC2)CO1)[C@H]1CC[C@H](O)CC1 585105107 YGRRXSUICMAAAA-NJDAHSKKSA-N 386.536 2.933 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188694 IQFBBSUAZWMNSS-CYBMUJFWSA-N 393.896 2.946 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188735 MSXKQTBDDDNNQP-CYBMUJFWSA-N 393.896 2.946 0 40 GFAB CCCn1ncc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1C 1615153655 CHLXFZXUBCZTGM-QFIPXVFZSA-N 396.491 2.640 0 40 GFAB O=C(CSc1nnnn1-c1cccc(F)c1)NCCc1ccc(Cl)cc1 5220111 RJZIBZFULJIAHF-UHFFFAOYSA-N 391.859 2.906 0 40 GFAB c1ccc(CN[C@H]2CO[C@@H]3[C@@H](n4cc(CC5CCCCC5)nn4)CO[C@H]23)cc1 5410372 GFRVNDBWOSRHOR-FNAHDJPLSA-N 382.508 2.898 0 40 GFAB biogenic,in-vitro COc1ccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c(OC)c1 5483653 JQNPDVPLSQFXHF-UHFFFAOYSA-N 386.433 2.925 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc(C(=O)OC)c1 11610177 CKSJNRWWZQWNNG-LBPRGKRZSA-N 387.388 2.674 0 40 GFAB Cc1occc1-c1nn(C2CCN(C(=O)Cc3ccccc3F)CC2)c(=O)o1 12182906 ZPKWIHTTWAIWBY-UHFFFAOYSA-N 385.395 2.950 0 40 GFAB CCCCNc1ccccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12645030 YCDSOBZLHGZMPD-UHFFFAOYSA-N 382.420 2.864 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3nc2C)c1 12809905 JKMCMDHNDPSUGH-UHFFFAOYSA-N 385.445 2.593 0 40 GFAB Cc1n[nH]c(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 13075390 VKKPFXZUKBMIOS-UHFFFAOYSA-N 384.267 2.842 0 40 GFAB O=C(COC[C@H]1COc2ccccc2O1)N1CCCC[C@H]1CCN1CCCC1 19375744 YQMTWXNASXQSRS-OALUTQOASA-N 388.508 2.710 0 40 GFAB C[C@@H](Cn1cncn1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 19457904 CGQMIQISSUECQF-AWEZNQCLSA-N 398.492 2.513 0 40 GFAB CC1(C)Cc2cc(CN3CCC[C@H](c4nnc5n4CCNCC5)C3)ccc2O1 19709239 FTULYDTWVCYYRC-KRWDZBQOSA-N 381.524 2.517 0 40 GFAB O=C(NCC1CC1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643583802 AMOJNZOPGMDJOT-UHFFFAOYSA-N 380.488 2.916 0 40 GFAB COc1cccc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)c1OC 1888875695 YBDVNTJXJDDZFX-HOTGVXAUSA-N 394.475 2.580 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5c(F)cccc5F)C[C@H]4C3)n1)CCC2 1888885522 YEVRCQQOJYRENL-OKILXGFUSA-N 384.430 2.760 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 1889128369 CJXOVDXMAMHCDW-BBRMVZONSA-N 394.397 2.985 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 1848621272 ZCRCUAJNUCOUMB-SFHVURJKSA-N 386.883 2.951 0 40 GFAB C[C@@H](C(=O)Nc1ccc(NC(=O)CCOc2ccccc2)cc1)n1cncn1 25299696 JNPSOBPNRNIGRT-HNNXBMFYSA-N 379.420 2.885 0 40 GFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3noc(-c4cccs4)n3)C2)nc1C 238865145 LPIZKMGLDJJWHM-LBPRGKRZSA-N 393.494 2.501 0 40 GFAB CCn1nc(C)c(CN2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)c1C 2037983913 KTDTWBLYARAVJB-NQIIRXRSSA-N 382.508 2.774 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn12)N1CCCCC1 4376711 NWPUMHGKVNVPBH-UHFFFAOYSA-N 397.460 2.625 0 40 GFAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1 5240615 QFZRICHIBXLPKI-RMKNXTFCSA-N 375.431 2.854 0 40 GFAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1cc2ccccc2o1 11666038 BPRRWWDZOLCFOS-UHFFFAOYSA-N 376.420 2.603 0 40 GFAB C[C@]1(C(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)CC=CCC1 2055835269 IXPFEMXPBKCYHF-FCHUYYIVSA-N 396.491 2.582 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 38488042 ARYBPGTXNLYOFT-UHFFFAOYSA-N 381.436 2.623 0 40 GFAB Cn1nc(NC(=O)Cc2noc3ccccc23)c2c1NC(=O)C[C@@H]2c1ccco1 38519876 ZFCDCZJPWWCPOX-GFCCVEGCSA-N 391.387 2.810 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1C 44443719 OVBODFBLYLTJBF-UHFFFAOYSA-N 384.505 2.701 0 40 GFAB CN(C)S(=O)(=O)N1CCC(CNC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 575616017 NHEPFPICANHGCV-UHFFFAOYSA-N 396.557 2.624 0 40 GFAB COc1ccc(Cl)cc1-c1n[nH]c(SCCN2C(=O)NC(C)(C)C2=O)n1 31442921 RQUKPJGVWAKMHE-UHFFFAOYSA-N 395.872 2.556 0 40 GFAB CC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)cc1 51357211 ULDIPMLJKSKFBZ-UHFFFAOYSA-N 378.787 2.911 0 40 GFAB COc1ccccc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101402315 YVOMCBKBXQJPJV-LZWOXQAQSA-N 390.505 2.931 0 40 GFAB C[C@H](Sc1nnc2ccccn12)C(=O)N1CCN(Cc2ccccc2)CC1 20980171 DMTPAPSODBIFCK-INIZCTEOSA-N 381.505 2.554 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)OCc1cnn(-c2ccccc2)c1 29889402 DEZOSYHIZUUUDR-UHFFFAOYSA-N 377.400 2.731 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)CCCSc1nc2ccccc2s1 2623700 HLQMGOHNYNBWIN-SNVBAGLBSA-N 381.479 2.556 0 40 GFAB COc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 11919172 DBWLDJFHOHFHQO-CQSZACIVSA-N 381.432 2.531 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 1000114 IPLODSWWPACTBI-UHFFFAOYSA-N 383.433 2.570 0 40 GFAB CC(C)n1[nH]cc/c1=N\C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 102150339 QQDXUWDJGHAZOD-KIQCMGJBSA-N 393.373 2.934 0 40 GFAB Cc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N1CCCC1 1360701 XTEAKFRZHDFJFO-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1F)Nc1nc2c(s1)CCCC2 1361292 PHAYIPPOYWZZGL-UHFFFAOYSA-N 390.469 2.868 0 40 GFAB COCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)OC)c2)cc1C 32831068 GISNVYJVIZJIQI-UHFFFAOYSA-N 397.424 2.747 0 40 GFAB CC(C)OC(=O)C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 32820965 XLKFFYREXFLFJN-GOSISDBHSA-N 393.443 2.746 0 40 GFAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 4237239 MHEXFUDQMQZKPW-GOEBONIOSA-N 390.418 2.704 0 40 GFAB biogenic,in-vitro CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c(C)s1 4892350 IQFOZRHHLRPOTE-SNVBAGLBSA-N 387.461 2.918 0 40 GFAB C[C@H]1C(=O)N(CC(=O)N(C)Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 57594007 ARDPHSUUCLBTEB-ZDUSSCGKSA-N 387.386 2.781 0 40 GFAB CCc1ccc([C@H](CNC(=O)CCNC(=O)NCc2ccccc2)N(C)C)cc1 22684626 KIUDELITSDZDDM-NRFANRHFSA-N 396.535 2.857 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104673160 KWLAVIHUHLYEEO-JKQORVJESA-N 383.448 2.549 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21 12533362 YNDJSCPUKQCPMH-UHFFFAOYSA-N 397.460 2.583 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 25686127 NYQZQQFTBQGHSG-UHFFFAOYSA-N 392.908 2.702 0 40 GFAB CCOc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20460595 LMLJHONSIGZIKU-UHFFFAOYSA-N 377.466 2.580 0 40 GFAB COc1cccc(-c2cc(C(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)[nH]n2)c1 101404258 ZSYDXUJUQQCHLR-HOCLYGCPSA-N 390.443 2.507 0 40 GFAB COCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 57487390 NUSQBPFTCSPMNS-UHFFFAOYSA-N 389.502 2.610 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 3254650 XXYLAMVFUGQRQA-FPYGCLRLSA-N 399.399 2.670 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)O)cc2)c1 3262272 BIBGRYFVFKMXSO-UHFFFAOYSA-N 383.433 2.708 0 40 GFAB O=C(CCCc1ccccc1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 58179337 BJBFJKOUWGMWTI-UHFFFAOYSA-N 376.460 2.870 0 40 GFAB NC(=O)[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1 10269260 GXJMSBMMYPYNEX-LJQANCHMSA-N 385.370 2.895 0 40 GFAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 12626180 DRANNEAZGIVNFN-GOSISDBHSA-N 392.434 2.740 0 40 GFAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCC(=O)O)c12 2123746 GPPCSJURVVPHJK-CYBMUJFWSA-N 375.421 2.802 0 40 GFAB biogenic Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc12 2145975 VIVZFPPUBJVMRN-AWEZNQCLSA-N 395.411 2.660 0 40 GFAB biogenic COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)cc1COc1ccccc1F 2110275 DSBIRTBUTMGDJM-APWZRJJASA-N 397.406 2.825 0 40 GFAB biogenic O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc(N2CCOCC2)cc1 58419165 JZTXENQVRUEIBS-UHFFFAOYSA-N 386.423 2.501 0 40 GFAB COc1ccc([C@@H](C)NC(=O)NCCc2nnc3n2CCCCC3)cc1OC 45383472 GGEQFWFREMWIMG-CQSZACIVSA-N 387.484 2.625 0 40 GFAB O=C(NCc1cccc(Br)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 45363345 OLDPOJBQDZUPCE-CYBMUJFWSA-N 377.238 2.707 0 40 GFAB Cc1ccccc1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11067792 XFOOTRQTNRQAKW-MRXNPFEDSA-N 394.475 2.629 0 40 GFAB Cc1cc(OCC(F)(F)C(F)F)ccc1NC(=O)c1nc2ncccn2n1 36618688 CMZAGVDZQCHUBY-UHFFFAOYSA-N 383.305 2.964 0 40 GFAB COC(=O)/C=C1\C(=O)N(c2nccs2)C(=S)N1c1ccc(Cl)cc1 2424448 KSZQIBAZEVLSQD-DHZHZOJOSA-N 379.850 2.992 0 40 GFAB O=C(CN1CCN(C(=O)Nc2ccccc2Cl)CC1)N1CCCCCC1 12773045 DYMXMRAOCMASOV-UHFFFAOYSA-N 378.904 2.892 0 40 GFAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 3566038 POROADHWRKZGQG-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB CCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 12927435 AOXWEQKZKPYDBI-UHFFFAOYSA-N 376.272 2.800 0 40 GFAB CCOC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 12979691 WGRNKAHZAJRYAD-UHFFFAOYSA-N 382.423 2.566 0 40 GFAB Cc1ccc(-n2nc(C)c(C(=O)Nc3nc4c(s3)CN(C)CC4)n2)c(C)c1 23608439 NVVXTWCUVNVRTL-UHFFFAOYSA-N 382.493 2.889 0 40 GFAB CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 14139803 YXIXGBFLPVGBDN-UHFFFAOYSA-N 389.521 2.583 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@@H]1c1cccs1 14160528 SNNHVYJPLPBVGX-MRXNPFEDSA-N 387.505 2.957 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN(Cc1ccc(F)cc1)C1CC1 14166473 LDHADMZMHOYKHD-UHFFFAOYSA-N 399.466 2.862 0 40 GFAB CC[C@@H](NC(=O)CCc1c(C)nc2nc(N)nn2c1C)c1ccc(OC)cc1 14238506 XJNHJWPNOGLGPY-QGZVFWFLSA-N 382.468 2.532 0 40 GFAB COc1ccc([C@H]2C[C@H](c3ccc4c(c3)OCO4)n3nnnc3N2)cc1OC 6661707 XBKVNOHOKCUVDN-ZIAGYGMSSA-N 381.392 2.565 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)C1CCCCC1 5791889 GLNLAXOAVHORFG-HXUWFJFHSA-N 393.434 2.913 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCOCC1 23181847 WAMFODUFQJYLLB-GUYCJALGSA-N 384.498 2.628 0 40 GFAB Cc1ccsc1CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 6810214 BZYYMVWKTJHVPH-OAHLLOKOSA-N 397.493 2.790 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 67479933 SMJRQOHFBZTHBO-QGZVFWFLSA-N 385.851 2.611 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107975 MMRUAVGGLLPJJZ-IAQYHMDHSA-N 384.835 2.969 0 40 GFAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7242531 BXYGEQIJCKPMOR-AWEZNQCLSA-N 387.505 2.865 0 40 GFAB NC(=O)[C@@H](CNC(=O)C1=Cc2cc(Cl)ccc2OC1)Cc1ccc(F)cc1 67685283 JUNDJWPEMLDSDU-CQSZACIVSA-N 388.826 2.715 0 40 GFAB COc1ccc(C(N)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 7814162 IUEHAQRVCSNFAD-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)C1CC1 9378746 MCAJYOIXDXBBSJ-LBPRGKRZSA-N 393.896 2.742 0 40 GFAB Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 409244218 ZSASFQJRUPQVHB-NTEUORMPSA-N 382.807 2.628 0 40 GFAB O=C(Cc1ccsc1)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306143058 XSAJFGVGETWELY-OALUTQOASA-N 392.484 2.595 0 40 GFAB C[C@H]1C[S@@](=O)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 72308386 NNDXZSFKSUMAJE-KUNJGFBQSA-N 388.537 2.561 0 40 GFAB C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 72309747 ARYFRYCROXVAEX-GOSISDBHSA-N 397.523 2.933 0 40 GFAB CC(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1 78934933 MPBMWNZPPGKJPJ-IRXDYDNUSA-N 395.544 2.739 0 40 GFAB NC(=O)c1cc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c(F)cc1F 95394131 SMBZUAFLUYRNMJ-SFHVURJKSA-N 389.383 2.631 0 40 GFAB O=C(CNc1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9912466 SMGAHQQLLXCVAE-UHFFFAOYSA-N 395.431 2.800 0 40 GFAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1S[C@@H]1CCCc2ccccc21 89741353 JEUCMQGSCOUUDA-XJKSGUPXSA-N 377.535 2.962 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2C(F)F)nc1N 408545557 ZVUIBHCQQMXNBI-UHFFFAOYSA-N 382.392 2.904 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 408610027 ULFKOTSTOAIZPZ-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 38771646 CPMSGOUYVPBYNM-UHFFFAOYSA-N 388.489 2.951 0 40 GFAB COc1ccc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 20483248 CODDWYAVJLSXIR-UHFFFAOYSA-N 387.461 2.625 0 40 GFAB COc1cccc([C@@H](CNC(=O)Cn2cnc3ccccc32)N2CCCC2)c1 512709839 HLHMVQBDIAHJAX-OAQYLSRUSA-N 378.476 2.998 0 40 GFAB COc1cccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 39655424 YLYHGQONFTVFNK-IBGZPJMESA-N 395.411 2.742 0 40 GFAB CC(C)OCCCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1 217644871 MZOVHLIAFLHBED-UHFFFAOYSA-N 384.498 2.833 0 40 GFAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(S(=O)(=O)c1ccccc1)C2 72380776 QMJZYBRFOGIEJZ-UHFFFAOYSA-N 381.461 2.671 0 40 GFAB CC(C)OCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 217445914 FLZJKIAGSUUPIT-UHFFFAOYSA-N 384.498 2.833 0 40 GFAB Cc1ccc(N2CCC(CNS(=O)(=O)c3cccc(Cl)c3C)CC2)nn1 70922753 PSKWADZQLWWBFW-UHFFFAOYSA-N 394.928 2.942 0 40 GFAB CCCCN1CCN(c2ncc(C(=O)Nc3ccc(OCC)cc3)c(N)n2)CC1 71772250 AUMDARBVAMVRDP-UHFFFAOYSA-N 398.511 2.632 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCc2cccc(OC)c2)ccc1C 222952449 UGIOKJSVDICEJM-UHFFFAOYSA-N 377.462 2.701 0 40 GFAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 44891667 WGVBGBDGBIHBMW-UHFFFAOYSA-N 396.834 2.559 0 40 GFAB CCn1cccc1-c1noc(CNC(=O)c2cc3cccc(OC)c3oc2=O)n1 225768912 HUWNZBQUSMXMPR-UHFFFAOYSA-N 394.387 2.603 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)s1 223754154 TUKYDBIJVVBENG-CYBMUJFWSA-N 382.511 2.952 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 223795648 PBPMERCZMFMZQA-JTQLQIEISA-N 398.510 2.571 0 40 GFAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)c2ccc(NC(C)=O)cc2)n1 40268299 XUHXTYYFDKMMRO-UHFFFAOYSA-N 395.390 2.899 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCc1ccccc1)S(C)(=O)=O 220325262 IWRCQKCQRYIMJO-INIZCTEOSA-N 390.505 2.517 0 40 GFAB COCC(=O)N1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1 96155771 GYARMGOPSJOSMV-UHFFFAOYSA-N 380.448 2.757 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCCc3nc(N4C[C@@H](C)O[C@H](C)C4)ncc32)cc1 248137249 NNPJOAOMIBBSNZ-SPYBWZPUSA-N 396.491 2.906 0 40 GFAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3nccs3)cc(C)n2)C1 257223144 DWBXVHIFKXNJJW-CQSZACIVSA-N 395.554 2.966 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1C 96099550 VDWJBIZPSJTTPA-UHFFFAOYSA-N 397.518 2.665 0 40 GFAB Cn1nc(-c2ccccc2NS(=O)(=O)Cc2cc(F)ccc2F)ccc1=O 96025165 PVOUIYOZIPIIDV-UHFFFAOYSA-N 391.399 2.667 0 40 GFAB O=C(CSCc1ccccc1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025360 DWHICFCTXVSSMG-GOSISDBHSA-N 375.515 2.995 0 40 GFAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)c1ccccc1)C2 585261219 JJCIKTBEFFVUQZ-MQSCRBSSSA-N 377.488 2.710 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095989 WVTFUTLSQDMOEC-KRWDZBQOSA-N 393.447 2.506 0 40 GFAB Cc1nc(C2(NC(=O)CNC(=O)NCC3CCCC3)CCCCCC2)no1 50603191 SYEYHBHTGFQPIU-UHFFFAOYSA-N 377.489 2.533 0 40 GFAB CC(C)c1nsc(N2C[C@@H]3OC(=O)N(C4CCN(C(C)C)CC4)[C@@H]3C2)n1 1615588967 DRWPMHQVSOCQDU-CABCVRRESA-N 379.530 2.544 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2F)sc2c1CCC2 5078755 UYKLZCJPCIPBAK-CMDGGOBGSA-N 388.420 2.670 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NC3(c4ccccc4F)CC3)ccc21 12238830 XBWHNDHERQSNTR-UHFFFAOYSA-N 378.450 2.707 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CCNC(=O)Nc2ccccc2)c(C)c1 12596480 UCZSTDOXTLEYSQ-UHFFFAOYSA-N 382.464 2.878 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 15791214 YXYQDMPJRYWUTN-OAHLLOKOSA-N 376.478 2.869 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OC 16681847 SHTCLZOYSWVLNJ-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB COc1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1Cl 18116617 KLQLZMYIVSLLLC-UHFFFAOYSA-N 379.844 2.932 0 40 GFAB Cc1cc2nc(C[C@@H](NC(=O)c3cncnc3C)c3ccccc3)cc(O)n2n1 19130069 ALZSDOGFUBZXPL-GOSISDBHSA-N 388.431 2.556 0 40 GFAB CCOc1cc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)ccc1OC 19531970 FKCAAKYMRFWKRB-QGZVFWFLSA-N 383.492 2.976 0 40 GFAB O=C(N[C@H]1CCCOC1)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226650 UBMJWIFKINSXBF-ZWKOTPCHSA-N 390.455 2.801 0 40 GFAB CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N(C)S1(=O)=O 244933297 CKZQKBTWDPVUJZ-UHFFFAOYSA-N 375.494 2.972 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037839662 AARLRYUDYMUYGU-QFIPXVFZSA-N 397.475 2.649 0 40 GFAB O=C1CCC[C@@H]2[C@@H](CCN2c2ncnc3[nH]cnc23)N1Cc1ccc(F)cc1 2037844216 PAWYSYMNGABKLF-HZPDHXFCSA-N 380.427 2.652 0 40 GFAB Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)c2csnn2)CCC3(F)F)cs1 1614940076 CBRKPPXVNTUPKG-OAHLLOKOSA-N 399.492 2.677 0 40 GFAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCc1ccccc1 4166691 SYCRZRBRRIUKGS-UHFFFAOYSA-N 394.435 2.758 0 40 GFAB CCCCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O 4250807 NJZNEQQININXBJ-UHFFFAOYSA-N 395.463 2.564 0 40 GFAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)/C=C/c2cccs2)C1 2055746463 IZXXYQOOHSNQLT-AOQOKJQHSA-N 386.473 2.677 0 40 GFAB COC(=O)c1ccc(N2CCN(C(=O)c3ccc4sc(N)nc4c3)CC2)cc1 20572984 QOSCWBDZJSJDAA-UHFFFAOYSA-N 396.472 2.628 0 40 GFAB COc1ccc(-c2ncnc(N3CC(N(C)C(=O)c4cccnc4)C3)c2F)cc1 1775974228 DOKFHDWVZKWANK-UHFFFAOYSA-N 393.422 2.647 0 40 GFAB FC(F)(F)c1nnc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)o1 1775977717 KWGBTVKWJPFRIS-UHFFFAOYSA-N 396.398 2.929 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](COc2ncccn2)C1 1775968435 NSLZHTJUHGGGIR-CQSZACIVSA-N 381.885 2.918 0 40 GFAB CC(=O)O[C@@H]1OCCO[C@H]1NC(=S)Nc1ccc(Nc2ccccc2)cc1 28294224 KCLFVERBWXDAKG-MSOLQXFVSA-N 387.461 2.979 0 40 GFAB Cc1ccc(Cl)c2s/c(=N\C(=O)CN3C(=O)c4ccccc4C3=O)n(C)c12 100892330 UETFMMPGNASVJZ-VZCXRCSSSA-N 399.859 2.925 0 40 GFAB CCOC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 40160674 UZSAIFDNQGDHDL-UHFFFAOYSA-N 375.856 2.725 0 40 GFAB CC[C@H](C)n1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c1=O 20622529 BHINFACLPNBGMR-FVMDXXJSSA-N 388.855 2.583 0 40 GFAB biogenic O=C(NCCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32349943 XDKOFMDPFTZVPP-CQSZACIVSA-N 388.265 2.556 0 40 GFAB O=C(Nc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)o1 32335705 ADKSXSLTJFQOGC-UHFFFAOYSA-N 389.477 2.917 0 40 GFAB NCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 1857794410 ACLWXUGWEQNQCF-JENIJYKNSA-N 398.617 2.908 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 932449 JRYMVWYCARZMBT-UHFFFAOYSA-N 397.460 2.727 0 40 GFAB Cc1ccc2c(COC(=O)c3ccc(N4CCOCC4)nc3)cc(=O)oc2c1 21590733 YAHSNSVZLGEWHB-UHFFFAOYSA-N 380.400 2.690 0 40 GFAB Cc1sc(NC(=O)[C@@H](C)Cn2cc(Br)cn2)c(C(N)=O)c1C 2791105 HAUBBPKNZJXRNJ-ZETCQYMHSA-N 385.287 2.698 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1oc2ccc(Br)cc2c1C 3522845 ZADQBOFQOXYJDI-VIFPVBQESA-N 397.225 2.895 0 40 GFAB CC(C)c1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)n[nH]1 52566752 YPOZVBBSPPQEEN-SFHVURJKSA-N 376.888 2.990 0 40 GFAB O=C(Nc1ccccc1C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccco1 6945789 DFLIAWKWVRKDOA-UHFFFAOYSA-N 390.351 2.942 0 40 GFAB COC(=O)c1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 12194529 KJXOKIGLCUDOQN-UHFFFAOYSA-N 388.445 2.656 0 40 GFAB O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCC(O)CC1 12390133 WWGRRWQCPUHQCP-UHFFFAOYSA-N 379.412 2.822 0 40 GFAB CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 2938250 PGMYAAMJFCXEPO-KRWDZBQOSA-N 380.897 2.756 0 40 GFAB Cc1cc(C)c(NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 22906895 BXUWSLKCVWHLOT-UHFFFAOYSA-N 375.494 2.913 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 104196130 KGHZDHXKCDQTOF-HNNXBMFYSA-N 381.812 2.893 0 40 GFAB O=c1ccc2cc(S(=O)(=O)NNc3ccc(C(F)(F)F)cn3)ccc2o1 23873782 PTJSLKDMZXCDNS-UHFFFAOYSA-N 385.323 2.512 0 40 GFAB CCOc1cc(CN[C@H]2C[C@H]2C)cc(Br)c1OCC(=O)N(C)C 105437939 ZTPWPRKJFHXGFA-RISCZKNCSA-N 385.302 2.813 0 40 GFAB CO[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 61868625 QYFLKUJYAHPXOS-QGZVFWFLSA-N 390.281 2.880 0 40 GFAB O=C(NCCC(=O)N1CCN(CCc2ccccc2)CC1)Nc1ccccc1 24294620 WXPPVGXZWWSJOL-UHFFFAOYSA-N 380.492 2.585 0 40 GFAB CCc1ccccc1NC(=O)C[C@@H]1N=C(NC(=N)Nc2ccccc2)N=C1O 22607362 MRUHUAGJGQENFA-INIZCTEOSA-N 378.436 2.909 0 40 GFAB O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(Br)cc1 24991292 XKUGKFWBTCEATC-LLVKDONJSA-N 381.251 2.660 0 40 GFAB Cc1ccc(C)c(OCCOC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 25054272 XZANVLGPWPBGRJ-UHFFFAOYSA-N 395.452 2.733 0 40 GFAB COCCc1nnc(NC(=O)c2ccccc2I)s1 59498696 JASYUUPGHIERQW-UHFFFAOYSA-N 389.218 2.584 0 40 GFAB CN(CC(=O)N1CCC[C@H]1C1CCCCC1)C1=NS(=O)(=O)c2ccccc21 55599897 GBWWROPBAIOWMG-KRWDZBQOSA-N 389.521 2.639 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)O[C@@H](C(=O)NC1CC1)c1ccccc1 25117626 ZKVBJXIAEDGQTO-JOCHJYFZSA-N 392.455 2.919 0 40 GFAB Cc1cccn2c(NC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(-c3ccccc3)nc12 107416874 FDJNIEJQKRKNOY-MRXNPFEDSA-N 398.488 2.961 0 40 GFAB Cc1cc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)ccc1NS(C)(=O)=O 26029507 RSSCGGDYXMECTF-PXAZEXFGSA-N 376.434 2.534 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)cc1OC 3374357 TXKKOWFFNXARAQ-LBPRGKRZSA-N 389.404 2.905 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2cccnc2Cl)sc(C)c1C 3396908 LEJHFWWQXIABTD-UHFFFAOYSA-N 382.825 2.995 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)NC2CCCCCC2)Oc2ccc(Cl)cc21 20487656 DQZKZIDZFQASEJ-MRXNPFEDSA-N 386.901 2.706 0 40 GFAB CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 26439007 ZZCPWDKJVGIXIG-LJQANCHMSA-N 395.486 2.874 0 40 GFAB COc1cc(C(=O)N(C)C2CCCCCCC2)cc(OC)c1OCC(N)=O 58225103 WYJXBGZKADOTQB-UHFFFAOYSA-N 378.469 2.753 0 40 GFAB COc1ccccc1CC(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 12766020 XEQWOEACKBBSIQ-UHFFFAOYSA-N 384.457 2.929 0 40 GFAB COc1cc(C)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1OC 11645995 RGZIKYXILHPYTL-UHFFFAOYSA-N 382.416 2.914 0 40 GFAB CCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cccs1 3420276 UQGKBVLUHDBVOG-UHFFFAOYSA-N 389.520 2.936 0 40 GFAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3423388 RCBXRBYKBHUNEU-QGZVFWFLSA-N 396.230 2.670 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c(OC)c1 38145698 YJPZYTHUNKARFS-HXUWFJFHSA-N 389.452 2.533 0 40 GFAB Cc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cnn1-c1ccccc1F 12912978 BNOIMPINSBJLSB-UHFFFAOYSA-N 391.406 2.829 0 40 GFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 12902614 PFBRADLIEALQLV-XMSQKQJNSA-N 398.434 2.521 0 40 GFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 12946285 SCPNQMKOAYAKCM-MRXNPFEDSA-N 378.425 2.588 0 40 GFAB O=C(NCCNC(=O)c1ccc(Br)o1)c1cc2ccccc2[nH]1 13693638 BJNUSAVNDNYYPJ-UHFFFAOYSA-N 376.210 2.683 0 40 GFAB COc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1OC 6098232 MQUSXTIFHLSWFR-UHFFFAOYSA-N 390.509 2.772 0 40 GFAB CC(C)NC(=O)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 14189363 QVVQEBSCPDHJLW-UHFFFAOYSA-N 379.869 2.908 0 40 GFAB O=C1O[C@@H](CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 14180981 SMROFVZOXXGVTD-APWZRJJASA-N 399.468 2.504 0 40 GFAB CC(C)c1ccc(-c2noc(CNC(=O)C(=O)NCc3cccs3)n2)cc1 14248684 PXJNGHCXACQATR-UHFFFAOYSA-N 384.461 2.854 0 40 GFAB CC(=O)c1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 8919606 QYSKIUODRUXNPH-UHFFFAOYSA-N 377.400 2.777 0 40 GFAB CCOc1ccc2nc(COC(=O)c3ccc(F)cc3)c(C(C)=O)[n+]([O-])c2c1 5500808 WYPBUTJILWSZJA-UHFFFAOYSA-N 384.363 2.966 0 40 GFAB C[C@H](SCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8937170 GQIQJBWZGUPZKV-GXFFZTMASA-N 381.441 2.630 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)ccc12 6627313 UKQHVNHKDLFSPC-GFCCVEGCSA-N 376.368 2.725 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nnc(-c2ccc(Cl)cc2)o1 5754479 NPUKHZDRANRZAX-UHFFFAOYSA-N 396.790 2.912 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408619748 IVSZQFIWRMPPNM-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c(C)c1 7070290 MKGFGYLVLCKTIM-INIZCTEOSA-N 377.466 2.700 0 40 GFAB CCOC(=O)Cn1cc(/C=C2/SC(=O)N(CCOC)C2=O)c2ccccc21 409144564 OMXXWIMVEPOCAB-MHWRWJLKSA-N 388.445 2.887 0 40 GFAB O=C(CS(=O)(=O)c1ccc(Br)cc1)NCCc1ccccc1 19823117 FDEWFGFZSYLYRR-UHFFFAOYSA-N 382.279 2.582 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)cc1OC 8022513 YJLKFIAZGSOJMO-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB Cc1c(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)oc2cc(O)ccc12 9305016 DZXKGNVKRFKLIB-UHFFFAOYSA-N 378.428 2.698 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cnn(C[C@H]2CCCO2)c1 71998523 FNEPTZRVMUHPDV-CYBMUJFWSA-N 397.262 2.737 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1F 9691169 BVBLDZJRXYNNPN-UHFFFAOYSA-N 390.480 2.851 0 40 GFAB Cc1nn(C)c(-c2nn3c(-c4ccncc4)nnc3s2)c1Br 72401439 AXDDJNBUENJYFV-UHFFFAOYSA-N 376.243 2.719 0 40 GFAB CCc1ccccc1NC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C 20213525 WVLPXKCQHIBSCX-UHFFFAOYSA-N 399.472 2.760 0 40 GFAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 95980029 MSPJNBVOATUXET-LLVKDONJSA-N 381.406 2.941 0 40 GFAB COc1cc(N2C[C@H](C(=O)O[C@@H]3CC[C@H](C)C3)CC2=O)cc(OC)c1OC 95996094 QUVVHLCFGZCGDY-GZBFAFLISA-N 377.437 2.797 0 40 GFAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1cccc(Cn2cccnc2=O)c1 79100391 IGPMGUFFHXMCNW-ZWKOTPCHSA-N 398.463 2.535 0 40 GFAB Cc1ccc(CNC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3)c2=O)cc1 89632355 LLPHPWIDNBWNMD-UHFFFAOYSA-N 387.443 2.515 0 40 GFAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 20152458 XLBHWZHSRPPWER-UHFFFAOYSA-N 378.793 2.894 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCC1=CCCCC1 33579859 FVZABBGDUUPKEE-OAHLLOKOSA-N 380.510 2.677 0 40 GFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(CN2CCOCC2)c1 219248681 VEVKAPCLAHSTPS-UHFFFAOYSA-N 392.459 2.841 0 40 GFAB COc1ccc(CN2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1OC 72395810 NCDMURTWNXOHDJ-OFNKIYASSA-N 394.471 2.863 0 40 GFAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218650193 YDTFOIOJMDROAO-DZKIICNBSA-N 386.256 2.715 0 40 GFAB COc1ccccc1CNC(=O)c1nn(C)c(NC(=O)Cc2ccccc2)c1F 41070626 GWGNZHNYNGTQEO-UHFFFAOYSA-N 396.422 2.679 0 40 GFAB CCCNC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccc(C)nc21 49002087 UFZZFDZKKJCMAU-UHFFFAOYSA-N 396.422 2.623 0 40 GFAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(C(F)(F)F)cc2)n1 224177268 XQSGRZZIXXJGQT-UHFFFAOYSA-N 380.370 2.570 0 40 GFAB COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C3 40836071 DBEYVIGIPJSTOR-QYZOEREBSA-N 379.460 2.942 0 40 GFAB biogenic,in-vitro COc1ccc(-n2ccnc2SCc2cc(=O)n3nc(C)sc3n2)cc1 46865574 JENCNSMTSSVSRY-UHFFFAOYSA-N 385.474 2.946 0 40 GFAB COc1ccc(CNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1OC 40268278 SMJALMBUGJUFRR-UHFFFAOYSA-N 380.400 2.818 0 40 GFAB COc1ccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)cc1OC 44836831 FFOBAOWSRYZAJV-UHFFFAOYSA-N 384.344 2.840 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1Cl 223638713 BMVQUMIECZHUDC-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242463725 DIILFAYCTWVVDP-NUJGCVRESA-N 379.865 2.540 0 40 GFAB COCC(=O)N1CCC(Cc2nc(C)cc(-c3ccc(C(=O)O)cc3)n2)CC1 257268299 MLBAEMCIKMOZQR-UHFFFAOYSA-N 383.448 2.578 0 40 GFAB O=C(CN1CC(c2ccnc(Nc3ccccn3)n2)C1)Nc1ccc(F)cc1 257297042 RFNMHQAHABFAPL-UHFFFAOYSA-N 378.411 2.792 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CCC2(CC1)OCCS2 90610714 XXGBLKHGAVSSGC-UHFFFAOYSA-N 378.313 2.693 0 40 GFAB CC(C)(C(=O)O)n1ccc(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)n1 663138439 KNCZJNGUJBACRF-UHFFFAOYSA-N 380.408 2.618 0 40 GFAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccccc1F 7093397 MSETXHNCJKHKHL-RVDMUPIBSA-N 376.347 2.678 0 40 GFAB CO[C@@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H](OC)[C@H]1O 5063446 BUDDROUPGITIJO-LLVBAIKDSA-N 388.460 2.536 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)n2)cc1 5298127 BVWIKCVEAYRJIR-RBZFPXEDSA-N 395.467 2.507 0 40 GFAB COC(=O)c1cc(NC(=O)Cn2c(C)nc3ccccc32)cc(C(=O)OC)c1 5627770 FCPCUZMLBNYDJX-UHFFFAOYSA-N 381.388 2.557 0 40 GFAB CCC(=O)c1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 5818791 OQGOXXDCKNDRQM-SFHVURJKSA-N 387.476 2.869 0 40 GFAB COC(=O)CN1N=C(c2ccc(OC)cc2)Cn2c(cc3sccc32)C1=O 12113585 XGSCELYHDDJOIR-UHFFFAOYSA-N 383.429 2.745 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)n12 12181904 CBOTYXZGQSBJBG-HUUCEWRRSA-N 381.480 2.672 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cnc2ccccc2n1 12866318 YPUVSUZSHDBJGA-BRADTZPFSA-N 396.472 2.510 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1I 13673458 RZFKHMGGTUHJBH-JTQLQIEISA-N 395.262 2.720 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 15081102 HUNVGBKDDVLBHU-ZWCUEREDSA-N 393.443 2.818 0 40 GFAB COc1ccc(-c2nc3nc(O)cc(NC(=O)c4ccc(F)cc4)n3n2)cc1 16976255 ODOFPGSFYDWSHV-UHFFFAOYSA-N 379.351 2.897 0 40 GFAB Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCCCC2)cc1 19288420 RKFCTDHBZWFBOS-NRFANRHFSA-N 396.539 2.770 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)cc1OC 19560401 MICOVAJVEGONKG-QHCPKHFHSA-N 394.471 2.594 0 40 GFAB CN(C)c1ncccc1CN1CC[C@H](c2c(C(N)=O)sc3ncccc23)C1 19702445 KTHLBWBVFQWHAU-ZDUSSCGKSA-N 381.505 2.846 0 40 GFAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2cncn2C)CC1 643913203 KPERZKSTJCDKCY-UHFFFAOYSA-N 384.509 2.506 0 40 GFAB COc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(N2CCCC2)n1 575604354 WYQGLDKZFQBTHS-UHFFFAOYSA-N 387.509 2.670 0 40 GFAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(F)c2)CC1 1888921903 ZLKZKOZDRQPFEN-UHFFFAOYSA-N 387.480 2.871 0 40 GFAB Cc1cc(Br)cc(Br)c1NC(=O)CN1CCOCC1 19879418 KTVQSYWOZNIDMK-UHFFFAOYSA-N 392.091 2.791 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238821304 CSANRUWWUMXBSZ-CABCVRRESA-N 391.399 2.920 0 40 GFAB Cc1nccc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037839710 BCCHXZJRSVNNBG-OAQYLSRUSA-N 384.455 2.712 0 40 GFAB O=C(NC[C@@H]1CCC2(CCN(c3ncnc4ccsc34)CC2)CO1)C(F)F 2056226125 KXDZSTBJBQEHQS-LBPRGKRZSA-N 396.463 2.838 0 40 GFAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CN(C(C)=O)CC3)cc1 8976948 VTZPWEWUTGGETG-UHFFFAOYSA-N 388.489 2.584 0 40 GFAB COc1ccc(-n2nnc3c(SCC(=O)NC4CCCCC4)ncnc32)cc1 11758684 LWVJNHUOOAYNOW-UHFFFAOYSA-N 398.492 2.760 0 40 GFAB O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)c1ccc(=O)[nH]c1 12440037 XDPRTSKWSAXSMQ-UHFFFAOYSA-N 394.456 2.606 0 40 GFAB O=C([C@@H]1CCCO1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891215799 WLVMCMQHTXHUTF-FQEVSTJZSA-N 389.459 2.972 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(Br)c1 18323422 SNEVYIAHIJHQNF-CYBMUJFWSA-N 385.283 2.814 0 40 GFAB CC(C)n1c([C@@H]2CCCN(C(=O)Cc3nnc(N)s3)C2)nc2ccccc21 19661260 UHSZSNNJIQQKPO-CYBMUJFWSA-N 384.509 3.000 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)N(CC)[C@H](C)COC 40090053 ITOBGSYAQHQTJI-LLVKDONJSA-N 380.304 2.893 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)ccc21 40039829 WGIMCXKMXSXPRS-NWDGAFQWSA-N 383.370 2.561 0 40 GFAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCn1cccn1 30170137 HDPDEVBSJLRLFC-RQJZOYDLSA-N 386.540 2.747 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NCCCCN3C[C@H](C)C[C@@H](C)C3)cnc12 40108521 GSFUDYAHMOGEDY-QZTJIDSGSA-N 398.551 2.969 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 40153969 RRXVHYKEHRNAAN-HNNXBMFYSA-N 395.850 2.590 0 40 GFAB C[C@H](NCC1(c2ccccc2)CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 30507902 JVWJNZQEWGCDAX-KRWDZBQOSA-N 393.487 2.698 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@H]2CCN(c3ccc(C)c(C)c3)C2=O)c1C 50770180 BIHZPHCKZPZXQC-GOSISDBHSA-N 381.476 2.993 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1)SCC(=O)N2 31810208 IJNHKHPNZRJMIS-HNNXBMFYSA-N 377.433 2.622 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC 32097989 KZVACTQZBLFJEM-UHFFFAOYSA-N 376.438 2.830 0 40 GFAB CCc1noc([C@@H](C)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)n1 32760303 REPQSZCCTVHNRL-CQSZACIVSA-N 398.467 2.569 0 40 GFAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 6345765 NTMPLEBWHNDIJY-OAHLLOKOSA-N 395.459 2.825 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2cc3ccccc3o2)C1=O 7976408 LCRMPNQVJINCLD-NRFANRHFSA-N 392.367 2.811 0 40 GFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 10444589 BJNDPKDZCUFBBF-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB Cc1csc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 10555513 ONDCPOCLTDLZSG-AWEZNQCLSA-N 381.523 2.991 0 40 GFAB COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1OC 8470193 LOBGYDTWBBWHGX-KRWDZBQOSA-N 384.432 2.865 0 40 GFAB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NCc1ccccc1 8476226 ZIXLDAKYBCFPDL-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB COC(=O)c1sc2ncn(CC(=O)OC3CCC(C)CC3)c(=O)c2c1C 2887974 HAGDYZIYGNVXMB-UHFFFAOYSA-N 378.450 2.675 0 40 GFAB COc1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 972392 WMPXWLGVNGQMLL-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 913151 GUSNFKWSVZOYDR-UHFFFAOYSA-N 398.444 2.603 0 40 GFAB Cc1ccccc1O[C@@H](C)C(=O)NCCNC(=O)[C@H](C)Oc1ccccc1C 12406165 AGPDYEXJSRJQPI-ROUUACIJSA-N 384.476 2.771 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)o1 23682666 GLWGZPUUEZKCFX-ZIAGYGMSSA-N 378.450 2.638 0 40 GFAB CCN1C[C@H](CN(C)Cn2nc(-c3ccc(F)cc3)oc2=O)Oc2ccccc21 12552699 KCZJBPWAVNVOBL-KRWDZBQOSA-N 398.438 2.819 0 40 GFAB C[C@H]1C(=O)[C@@]23[C@H]4C[C@H]5C(C)(C)CC[C@@H](O)[C@@]5(C)[C@H]2[C@@H](O)C[C@H]1[C@H]3OC(C)(C)O4 100359652 MDODVBXGWQIKBY-IMFMXSOMSA-N 392.536 2.916 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(C(=O)c2ccoc2)CC1 25237466 NZYRTRBCIYWDSM-UHFFFAOYSA-N 386.496 2.666 0 40 GFAB O=c1c(Cl)c(N2CCN(CCc3ccncc3)CC2)cnn1-c1ccccc1 9156238 UHIPGWVNYPAECN-UHFFFAOYSA-N 395.894 2.646 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ncc(Cl)cc1Cl 3247405 XAICMTQFJYCRDJ-UHFFFAOYSA-N 383.187 2.955 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 57486182 GGVIONAXMUTANS-UHFFFAOYSA-N 393.487 2.903 0 40 GFAB N=c1c2nc(-c3cccc4ccccc34)[nH]c(=O)c2[nH]c(=O)n1-c1ccccc1 100945741 QQJLVXKPKZNTSU-UHFFFAOYSA-N 381.395 2.702 0 40 GFAB CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)CC1 54363470 RETUZNYQAKHDRS-UHFFFAOYSA-N 388.114 2.692 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 113953866 WYYDWBJZJLWGDK-HNNXBMFYSA-N 384.432 2.574 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 22327929 KHORZLJRNKBAAC-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB CNC(=O)C1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CC1 29164101 SPHWBTJGHWHHLC-UHFFFAOYSA-N 397.523 2.566 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)ccc12 12922026 AIGPOPVQKQPUKK-UHFFFAOYSA-N 375.384 2.909 0 40 GFAB COc1cc(NC(=O)CSc2ncnc3[nH]cnc23)c(OC)cc1Cl 13322897 QZZJEAAREGTFJM-UHFFFAOYSA-N 379.829 2.754 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2=O)cc1 8376147 RZDHLUSRZVORPJ-LJQANCHMSA-N 393.487 2.749 0 40 GFAB COc1cc([C@H](O)c2cc3c(cc2C(OC)OC)OCO3)cc(OC)c1OC 4114325 VVCFQBQKMQDNDJ-SFHVURJKSA-N 392.404 2.814 0 40 GFAB COc1ccc(CN2C(=O)C/C(=C/c3c[nH]c4ncccc34)C2=O)cc1OC 70666313 DMQYFCQBFVPFHW-ZROIWOOFSA-N 377.400 2.923 0 40 GFAB biogenic CCn1nc(C(=O)OCC(=O)Nc2c(C)cccc2C)c2ccccc2c1=O 4326216 BNLJRDWMYNBYLG-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCCCC1 4985592 ISNPTIVDYANAQN-KRWDZBQOSA-N 380.872 2.650 0 40 GFAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1C1CC1 6993332 ZDUVDOFGTFBDBZ-ZDUSSCGKSA-N 387.509 2.877 0 40 GFAB O=C(NCc1cccs1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 6918907 MXLAAFQOCZSEFB-UHFFFAOYSA-N 376.441 2.831 0 40 GFAB COc1ccc2c(=O)c(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)c[nH]c2c1 67177352 GPJDGRRRWFDDGT-LJQANCHMSA-N 382.391 2.890 0 40 GFAB CCOc1c(Br)cc(C(=O)NCCCn2ccnc2)cc1OC 5996839 HJOICEOLYRRUCD-UHFFFAOYSA-N 382.258 2.873 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 20044789 PYGYLUXKLLURIW-GFCCVEGCSA-N 379.434 2.515 0 40 GFAB C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1cc(F)ccc1F 7300487 RDALKBXTSVGWDP-LURJTMIESA-N 390.462 2.513 0 40 GFAB Cc1nc(CN2CCC(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)cs1 68278766 GZEUPZHFBSUADY-UHFFFAOYSA-N 382.493 2.883 0 40 GFAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)[C@H]2N1 68292681 YGNSTQMBYJBWHB-SZBUUKFFSA-N 377.554 2.749 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 71328973 UIMQDGMXAOTCGB-LHSJRXKWSA-N 393.443 2.679 0 40 GFAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)n1C)C(=O)NC(N)=O 9367275 DPNWXMUTYGPOTI-QMMMGPOBSA-N 383.271 2.525 0 40 GFAB C[C@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(OCc3cccnc3)c2)no1 97102689 CNDXZIJMYGNYHY-SCLBCKFNSA-N 394.431 2.659 0 40 GFAB COc1cc(NC(=O)N[C@H]2CCC[C@H]2n2ccnc2)ccc1N1CCCC1=O 72311432 XKWMOIAVXHCZKD-JKSUJKDBSA-N 383.452 2.934 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1C 9513512 OYWPQIZIULETCH-UHFFFAOYSA-N 389.433 2.690 0 40 GFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc1 28207962 CCLDMWHKRLMABW-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB CN1CCO[C@@H]([C@H](NC2CN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc2)C1 95454575 GVUPNDXGXAYLPP-QZTJIDSGSA-N 395.931 2.921 0 40 GFAB CC[C@H]1Oc2cc([C@H](C)NC(=O)Nc3cnn(CCOC)c3)ccc2NC1=O 78950675 KUPMVLUIFDSCAW-BLLLJJGKSA-N 387.440 2.522 0 40 GFAB CCN(C(=O)CN1CCC[C@@H](c2n[nH]c(C)n2)C1)c1nc2ccccc2s1 95966308 KVYUQLUJWHDKGB-CQSZACIVSA-N 384.509 2.955 0 40 GFAB Cc1cccc(OCCCNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)c1 28728297 FXXWVBIOVJKDBC-UHFFFAOYSA-N 387.480 2.525 0 40 GFAB COC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 408606517 KODLLIBVDSSSOR-INIZCTEOSA-N 390.505 2.650 0 40 GFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2nc3ccccc3[nH]2)CC1 38554354 UGYQCIRGEHUQMX-UHFFFAOYSA-N 394.859 2.866 0 40 GFAB Cc1cccc(C(=O)N2[C@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)c1 71980668 ABDWEUJOSVEKBO-FQEVSTJZSA-N 394.471 2.913 0 40 GFAB CC(C)[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N(C)C1CCCCC1 42944158 FKBCKBIQUYZLPK-LLVKDONJSA-N 379.452 2.919 0 40 GFAB CN1CCN(C(=O)Cc2cc3ccccc3c(O)n2)C[C@@H]1Cc1ccccc1 560285223 JVSZFFCTDZVJMO-FQEVSTJZSA-N 375.472 2.868 0 40 GFAB CSc1cccc(NC(=O)CNC(=O)N2CCN(Cc3ccccc3)CC2)c1 79482248 XCYCWSJGCXOUSX-UHFFFAOYSA-N 398.532 2.874 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cl 45865970 DAEVIMZGAUBQAI-UHFFFAOYSA-N 375.855 2.553 0 40 GFAB CCN(C(=O)CN1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1)C1CC1 47913769 SKFRFEZVABZYST-KRWDZBQOSA-N 397.523 2.735 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccc(C)cc2C)s1 223244168 KAYPURZAMASJKS-ZDUSSCGKSA-N 382.511 2.933 0 40 GFAB COc1ccc(C(=O)NC2CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224755156 CTUUBGDOUWQZIE-UHFFFAOYSA-N 392.452 2.693 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223771580 GNASBGQXLWJQOP-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB CCOc1cc([C@H](N)c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)ccc1OC 95534436 SUQZEIWKQAGXJC-SFHVURJKSA-N 384.436 2.944 0 40 GFAB CC[C@H](CNS(=O)(=O)c1ccsc1C(=O)O)N1CCc2ccccc2C1 579391361 LDWZAGGWGZQAMY-OAHLLOKOSA-N 394.518 2.562 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1cccc(F)c1)C2 96237916 MEHASFCPPORONN-NRFANRHFSA-N 385.414 2.528 0 40 GFAB FC(F)(F)c1ccnc(Nc2nccc(C3CN(Cc4ncc[nH]4)C3)n2)c1 257209180 BPHPHJSTYAZVCR-UHFFFAOYSA-N 375.358 2.957 0 40 GFAB CCc1cccc2c(C3CCN(C(=O)CNS(=O)(=O)C4CC4)CC3)c[nH]c12 585080063 GIGOONVZAMPYLP-UHFFFAOYSA-N 389.521 2.518 0 40 GFAB COc1cc(Cl)c(OC)c2c(=N[C@@H]3CCN(C)[C@H](C)C3)c(C(=O)O)c[nH]c12 649389389 BFTWOFPZCWPMOE-GHMZBOCLSA-N 393.871 2.920 0 40 GFAB COC(=O)c1ccccc1C(=O)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390830649 MJJBEDPVTAUEBF-MRXNPFEDSA-N 393.486 2.537 0 40 GFAB CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(O)C1)C2 585107256 RWQUHVOKMFAIJD-CNXQINBVSA-N 380.492 2.691 0 40 GFAB CC(C)COCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 58804159 HSCUFOUPPRFWGU-UHFFFAOYSA-N 375.465 2.942 0 40 GFAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C 58209549 PAWZAFOTUXZRAP-NHYWBVRUSA-N 376.407 2.619 0 40 GFAB Cn1nc(C2CCN(C(=O)CSc3ccc(F)cc3)CC2)n(C2CC2)c1=O 77148737 NKPHTEXRRPEULD-UHFFFAOYSA-N 390.484 2.554 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615124806 YBWQTUWMLNVQJA-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB O=C(CN1CCC[C@H](c2ncncc2-c2ccncc2)C1)Nc1nccs1 12118516 HPHIUKIHUUAEOO-HNNXBMFYSA-N 380.477 2.813 0 40 GFAB O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1ccccn1 12324204 IEDUHJAASATJQF-UHFFFAOYSA-N 391.475 2.727 0 40 GFAB biogenic CC(C)NC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]12 12604283 XYKRNYVWEFUYPD-OALUTQOASA-N 392.459 2.596 0 40 GFAB biogenic,in-vitro CCCn1c(=O)n(CC(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc21 12807643 JEGHUKJSRKIOJK-UHFFFAOYSA-N 394.475 2.585 0 40 GFAB CCn1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2c1=O 18891417 JYXFCKBIOGFMSJ-CYBMUJFWSA-N 379.416 2.679 0 40 GFAB CCn1c(CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)nc2ccccc21 19524370 SINWZUYNBWUZAX-UHFFFAOYSA-N 383.424 2.743 0 40 GFAB COc1cc(OC)c(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1Cl 19577748 DLAPOUZHFJQXSQ-UHFFFAOYSA-N 387.889 2.528 0 40 GFAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2cc(C3CC3)nn2C)C1 19712228 DZFXMNOUYCFXGR-QRWLVFNGSA-N 382.464 2.906 0 40 GFAB C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(Cn2cnnn2)cc1 19714811 ZLTRQMMOVWFUQB-CQSZACIVSA-N 392.438 2.713 0 40 GFAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCN(C(=O)c2cc[nH]n2)CC1 19749087 DRSKBSWEHGQBBP-LBPRGKRZSA-N 395.385 2.557 0 40 GFAB CCOc1ccccc1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 19933285 CIRFYBHVQKHTFA-UHFFFAOYSA-N 391.489 2.924 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889205582 MTUXAYDAOSYNCY-BBRMVZONSA-N 397.422 3.000 0 40 GFAB Cc1nn(C)c2ncc(C(=O)NCCOc3cccc4c3OC(C)(C)C4)cc12 24450799 POWNRNGGKGOOJS-UHFFFAOYSA-N 380.448 2.799 0 40 GFAB O=C(CCN1CCCCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909195 CCDHQTRHJOFIGW-NRFANRHFSA-N 378.488 2.824 0 40 GFAB Cc1ncccc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985063 WTKQWKFCBBEEMP-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB Cc1cccc(NC[C@@H]2CO[C@]3(COCCN(C(=O)C4(F)CCC4)C3)C2)c1 1565548094 QWDJDEMVDPQORU-YLJYHZDGSA-N 376.472 2.933 0 40 GFAB O=C(Nc1ccncc1)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 631411 MMLSOXKDPBOWMX-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NC[C@H]1CCCO1 2970210 YWLSHUIZXSTGHX-CQSZACIVSA-N 375.494 2.915 0 40 GFAB COc1cccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4560584 DITDSSPDVBJNDR-IAGOWNOFSA-N 392.864 2.961 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1C 5221942 MGKNEDKORFVUES-INIZCTEOSA-N 388.489 2.704 0 40 GFAB COc1ccc(N2C[C@@H](CNC(=O)c3ccc(F)c(F)c3)OC2=O)cc1OC 9121267 ZZZMANIXTYATSB-CYBMUJFWSA-N 392.358 2.737 0 40 GFAB Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2c1cnn2-c1ccccc1 12227887 IVBIQEQRLAVBQQ-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB COc1ccccc1CC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775973678 XFAXNDVSSTXCFJ-UHFFFAOYSA-N 375.428 2.545 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775966539 KAESKMRPCWAUPR-CYBMUJFWSA-N 386.429 2.805 0 40 GFAB O=C(c1cncc(F)c1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2086896613 COUAATNBQGQWTQ-ABAIWWIYSA-N 380.345 2.985 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575612020 IGDNXLODMDOELT-GFCCVEGCSA-N 388.276 2.934 0 40 GFAB CCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC 6264881 DMZMXVGCMNPARZ-COPCDDAFSA-N 390.524 2.898 0 40 GFAB biogenic CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1 50029093 GAPCBSALZKLINQ-AWEZNQCLSA-N 378.432 2.923 0 40 GFAB COC(=O)c1cccc(NC(=O)CN2CCCN(Cc3ccccc3C)CC2)c1 30153936 CCFKVLHRPVYSCS-UHFFFAOYSA-N 395.503 2.928 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCOc1cccc(Cl)c1 40113610 LJDGEEGDTJCUKS-UHFFFAOYSA-N 386.835 2.911 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 100563738 IFXNLWGISLOJJV-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB COc1ccc(NC(=O)c2cccc(Br)c2)cc1-n1nnnc1C 60365470 NNBFFMWTTHFYMP-UHFFFAOYSA-N 388.225 2.994 0 40 GFAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NCCC1=CCCCC1 21249712 HSPYCHIPVCQVEU-CQSZACIVSA-N 394.493 2.610 0 40 GFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 2696156 PHVSUIPUEBWBPU-UHFFFAOYSA-N 393.486 2.575 0 40 GFAB CCc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N(C)C)cc1 11999408 AXGBAJURVPDCQL-KRWDZBQOSA-N 376.478 2.559 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(Nc2ncccn2)c1 32779868 YCYAXMADYXEINP-UHFFFAOYSA-N 395.507 2.985 0 40 GFAB C[C@H]1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1 4077385 XDZNAPQOYBYPDF-QMMMGPOBSA-N 383.445 2.826 0 40 GFAB Cc1ccc([C@@H](NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C2CC2)cc1 32865770 GCDXYKKDMLVOQG-HXUWFJFHSA-N 386.517 2.968 0 40 GFAB CCOCc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)ccc1OC 32868976 FCLQNJYOBDNYMC-UHFFFAOYSA-N 380.448 2.802 0 40 GFAB O=C([C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1)N1CCCCC1 21733421 FVDYEAURRTYAAZ-IAGOWNOFSA-N 387.509 2.698 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccccc21 10009216 XPGCUDBLFSJGCB-INIZCTEOSA-N 382.388 2.521 0 40 GFAB O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC2(CC1)OCCO2 46812567 BPGJAWLUTONTJI-AWEZNQCLSA-N 399.413 2.682 0 40 GFAB CC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 100877289 PKWBVJMEOIWQRL-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 8433780 ZQMTWVHYLWDEAV-OAHLLOKOSA-N 398.390 2.563 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 8626290 NGGGCCGGXDSLAQ-INIZCTEOSA-N 389.473 2.754 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810906 HERARWRRPBBRTO-UHFFFAOYSA-N 398.431 2.922 0 40 GFAB c1ccc(-n2nc(-c3n[nH]c(C4CCCCC4)n3)c(N3CCOCC3)n2)cc1 33435938 TUEINJYAWPKFJI-UHFFFAOYSA-N 379.468 2.937 0 40 GFAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1Cc1ccncc1 12324993 NOHFXEXSIXSJIH-UHFFFAOYSA-N 389.440 2.842 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C 779191 FQCNFAVORTUASZ-UHFFFAOYSA-N 396.472 2.923 0 40 GFAB C[C@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(=O)NC(=O)NC(C)(C)C 22633850 CZSVQZASHOYUBX-CYNONHLPSA-N 398.872 2.618 0 40 GFAB COC(=O)/C=C1/SCC(=O)N1CCCN1CCCSc2ccccc21 104095445 MAEXPLMAJBAGNI-SFQUDFHCSA-N 378.519 2.969 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](Oc2cccnc2)C1 97015857 MEOKFFOUSQTXHR-LLVKDONJSA-N 389.296 2.748 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23224533 YVJOQVSSONPSLJ-INIZCTEOSA-N 398.434 2.999 0 40 GFAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O 57486060 PIMJWWWOOMVASK-UHFFFAOYSA-N 375.425 2.659 0 40 GFAB CCCCN(CC)C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[C@@H](C)CC 12551924 YPILDSZGWPYMBR-YOEHRIQHSA-N 379.526 2.788 0 40 GFAB CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)OC(C)(C)C 57826667 QWBMDSSSBJHUDQ-OAHLLOKOSA-N 376.453 2.988 0 40 GFAB CSc1ncccc1C(=O)OCC(=O)COC(=O)c1cccnc1SC 3275222 ZOLNYZMAFRKQHL-UHFFFAOYSA-N 392.458 2.503 0 40 GFAB CCOCCCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)NC1=S 105328417 FQPHQJONSQNJEG-LCYFTJDESA-N 384.885 2.841 0 40 GFAB Cc1cc(NC(=O)COc2c(CO)cc(F)cc2CO)ccc1Br 12621980 ZGRVFUMXBIFGCL-UHFFFAOYSA-N 398.228 2.899 0 40 GFAB O=C(O)c1cccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)c1 110082589 IIVZZIRIFNKYDQ-PDGQHHTCSA-N 387.420 2.946 0 40 GFAB CCOc1ccc(CN(C)C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 45575287 ZHGNUSAHDQKYIE-UHFFFAOYSA-N 387.480 2.689 0 40 GFAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)cc1 12772302 SZGPYENAFSRKDB-ZZXKWVIFSA-N 381.793 2.967 0 40 GFAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)nnn1-c1ccccc1F 11615994 MCDZIHMIQLUQFO-UHFFFAOYSA-N 381.411 2.804 0 40 GFAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)cnc21 12785263 IBTJHRLLCPUWPU-UHFFFAOYSA-N 379.203 2.664 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@@H]2C2CCCCC2)cc1 48343254 AEQBQXFFQCZJLG-HXUWFJFHSA-N 387.524 2.948 0 40 GFAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 3595291 OVWGXVOWEFKFCX-SFHVURJKSA-N 391.880 2.875 0 40 GFAB CC(C)CCn1c(S[C@H](C)C(=O)NC(N)=O)nc2cc(Cl)ccc2c1=O 3532317 OHIKDVVQZHZJJA-SNVBAGLBSA-N 396.900 2.772 0 40 GFAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)NCCc1ccc2c(c1)OCCO2 12925755 FMEONUCTRXWKLQ-IBGZPJMESA-N 395.377 2.957 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(C(F)(F)F)cc1 12982837 AQOKLIWUSBGJGO-UHFFFAOYSA-N 377.322 2.737 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 12999080 NNKKICFFKJNTQB-AWEZNQCLSA-N 388.489 2.678 0 40 GFAB O=C(CCc1ccccc1)N[C@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O 9419513 DOCVRDCJVWHPIQ-SFHVURJKSA-N 391.349 2.750 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OCC 408697292 INQXFDCGUWTRNF-UHFFFAOYSA-N 392.477 2.953 0 40 GFAB CC(C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230929 DHNIUIRQEIQNJA-UHFFFAOYSA-N 376.478 2.556 0 40 GFAB CCOc1ccc2nc(COC(=O)c3cccc(OC)c3)c(C(C)=O)[n+]([O-])c2c1 5499409 SJKHSBBMXHXWOI-UHFFFAOYSA-N 396.399 2.835 0 40 GFAB Cc1cc(C)cc(CN2C[C@@H]3[C@H](C2)CN(Cc2csc(C)n2)S3(=O)=O)c1 306125347 CNAAZWBNQAPSDB-IEBWSBKVSA-N 391.562 2.714 0 40 GFAB Cc1ccccc1C(C)(C)CNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 60354701 LXDGJVZFXPGZMV-INIZCTEOSA-N 378.476 2.727 0 40 GFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c(OC)c1OC 6784952 GSOMCRFHVSLGGQ-UHFFFAOYSA-N 377.368 2.955 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c(C)c1 4814926 ZHHVXSLNTOMCLP-UHFFFAOYSA-N 399.476 2.686 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)cc(C)n(Cc2ccco2)c1=O 8879199 UBAXIIREOFETPA-GOSISDBHSA-N 397.383 2.781 0 40 GFAB biogenic CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 6882303 VBZKPPFEPZGWIX-FQEVSTJZSA-N 398.459 2.964 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1cc(Cl)cc3c1OCOC3)CS2 5876743 QTTZGKAWLSDVJH-GUYCJALGSA-N 383.853 2.704 0 40 GFAB CC(=O)NCc1ccc(C(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)s1 7510490 KTPXVPWRYYCDLS-UHFFFAOYSA-N 395.820 2.806 0 40 GFAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 7977223 XPKBZADFHOGLDV-UHFFFAOYSA-N 389.477 2.656 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)N1CCCC1 7989347 SNYQFONRBUNFRL-MRXNPFEDSA-N 391.512 2.743 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 408701526 ZHHYAJQASNSZBH-UHFFFAOYSA-N 376.434 2.877 0 40 GFAB CN(CCOc1ccc(Cl)cc1)CC(=O)NC(=O)NCc1ccccc1 16632929 IKOAKTXBCBCHCC-UHFFFAOYSA-N 375.856 2.677 0 40 GFAB CCOc1ccccc1OCC(=O)Nc1cc2c(cc1C(=O)O)OCCCO2 8132243 DUFKYQYWXMEOMF-UHFFFAOYSA-N 387.388 2.962 0 40 GFAB Cc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)sc2nc(C(F)(F)F)ccc12 69351344 AUVXSNMEPRBGTA-SECBINFHSA-N 392.424 2.788 0 40 GFAB O=C(NC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 25828416 GFMWRCIZKUIIIV-UHFFFAOYSA-N 391.471 2.567 0 40 GFAB COc1ccc(-n2nnc(C(=O)Nc3cccc(SC)c3)c2N)cc1OC 9481695 RXHJTSHYMCXJAY-UHFFFAOYSA-N 385.449 2.841 0 40 GFAB O=C(CNC(=O)c1ccco1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8346650 UBNFGADTWATAAP-UHFFFAOYSA-N 379.420 2.633 0 40 GFAB CN(Cc1ccccc1Cl)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 23491998 BMZVEPYJSNGTKC-UHFFFAOYSA-N 377.872 2.943 0 40 GFAB COCCOc1ccc([C@H](C)N(C)C[C@H](O)COCCOC(C)C)cc1OC 97165445 ZBGIHTDKKDFJDV-HKUYNNGSSA-N 399.528 2.516 0 40 GFAB O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1CN(Cc3ccsc3)C[C@H]1C2 306144180 YYCRLPCVRVYQQC-RDJZCZTQSA-N 398.532 2.597 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)N[C@@H]1CCCOc2ccc(F)cc21 84582114 VTEKBCFNWWAGGV-MRXNPFEDSA-N 384.407 2.971 0 40 GFAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@@]4(C)CCCO4)CC3)n2)cc1 79069380 NGVUQOOYEXFFPL-HRAATJIYSA-N 384.480 2.819 0 40 GFAB O=C(O)C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 95989460 ANRCGNRENGMCOC-ZDUSSCGKSA-N 378.226 2.618 0 40 GFAB Cc1ccsc1CN1C[C@H]2c3nnc(C(=O)NCc4ccco4)n3CC[C@H]2C1 306128371 GYQOAJMPIUDIPW-GOEBONIOSA-N 397.504 2.790 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)n1 79495427 YLMHHTUSYIXFDJ-UHFFFAOYSA-N 391.479 2.588 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 89272037 GENZSRJJZMPXGN-CQSZACIVSA-N 382.416 2.848 0 40 GFAB Cc1ccc([C@@H](CNC(=O)[C@H](C)c2c(C)nn(C)c2C)N2CCOCC2)s1 89656328 CESDYLLQZROAJP-RHSMWYFYSA-N 390.553 2.700 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1OC 28220462 PGKJRBJESUBZAH-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2 524734666 AEXJTUPAZXZRHG-YJBOKZPZSA-N 380.444 2.860 0 40 GFAB CCOc1ccc(N2CN(CCCN(C)C)Cn3c2nc(C)c(C)c3=O)cc1 38829988 POLWDOLUEQLSNZ-UHFFFAOYSA-N 385.512 2.579 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(F)c(F)c1)CC(O)=N2 71282850 AAKTTWBIVJEDMV-NEPJUHHUSA-N 381.404 2.953 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc(Cl)c2)Oc2ccccc21 38833856 GSCJITWPUQCUCM-MRXNPFEDSA-N 380.853 2.896 0 40 GFAB COCc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72389764 BSMBMOHXDUQBDP-QGZVFWFLSA-N 390.443 2.608 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241663 KLALBHKZBFPJKJ-RTBURBONSA-N 388.443 2.757 0 40 GFAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 72384157 NHETXEQCYWVOQI-INIZCTEOSA-N 391.431 2.680 0 40 GFAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-n1cnnc1 222598555 XCFVANWDXMEBMA-DOPJRALCSA-N 379.493 2.992 0 40 GFAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 195419798 IOSZAQWIOULVGY-AWEZNQCLSA-N 384.567 2.970 0 40 GFAB CSc1cccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 220061962 VQJAQKFVEDJHKR-UHFFFAOYSA-N 390.530 2.759 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1ccc(Cl)cc1 223048746 IZMCRAKPZBQIEM-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB COc1ccccc1Oc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)nc1 578843769 DKCBILUJAULSIU-ZIAGYGMSSA-N 390.461 2.530 0 40 GFAB CC(=O)Nc1ccccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(C)=O)C[C@H]12 96268323 ZDNSQQOXFNYXRQ-IRFCIJBXSA-N 377.444 2.692 0 40 GFAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc21 96182920 RULQKDMFYQRMDI-UHFFFAOYSA-N 399.516 2.817 0 40 GFAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CCCCC2)n1 604382195 JXBFJFLNIDUJBR-UAFMIMERSA-N 375.557 2.844 0 40 GFAB biogenic,in-vitro O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2nc(-c3cccc(Cl)c3)nn12 254671988 YFEQEMAOFMDCEB-UHFFFAOYSA-N 384.804 2.927 0 40 GFAB Cc1ncc(-c2cncc(C[C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1C 257315819 VCXBPQGPMPWMGE-MRXNPFEDSA-N 376.464 2.675 0 40 GFAB O=C(N[C@]1(CO)CCc2cc(Br)ccc2C1)c1coc(C2CC2)n1 628681781 MNNRZTBTBRYJLQ-GOSISDBHSA-N 391.265 2.964 0 40 GFAB CCn1c(O)nc2cc(C(=O)N3CCc4nnn(C5CC(C)C5)c4C3)ccc21 634229036 IFXDQEPDICUULR-UHFFFAOYSA-N 380.452 2.523 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cncc(-c3ccco3)c2)cc1 575618750 NYNWPUKJVYQGLY-UHFFFAOYSA-N 385.445 2.522 0 40 GFAB CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594949 JVGPYURAPHLVSW-HUYLIWGRSA-N 394.943 2.910 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C4CCC4)CC3)n2)cc1 12155942 KIVLQBDHPDXNRD-UHFFFAOYSA-N 381.476 2.958 0 40 GFAB CCOc1ccccc1-n1c(S)nnc1-c1ccc(NS(C)(=O)=O)cc1 13533926 ISZBSTWXIKMQJJ-UHFFFAOYSA-N 390.490 2.993 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H](C)c3ccccc3)ncc2C1 19459260 WOVLKZJCNQTODT-MGPUTAFESA-N 378.476 2.848 0 40 GFAB COCCNC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 19593493 OVJCYHNXGHRREZ-UHFFFAOYSA-N 389.814 2.822 0 40 GFAB COCCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 19694286 PGWHFMGYLCLMDI-KRWDZBQOSA-N 398.507 2.961 0 40 GFAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)NCC2CCOCC2)CC1 101724206 NMOHSOJRQICMTI-HDICACEKSA-N 383.492 2.746 0 40 GFAB CCc1csc(-n2cc(C(=O)NC[C@@H]3CCCN(CC(C)C)C3)cn2)n1 534265205 XKYNOIFATRNRNJ-HNNXBMFYSA-N 375.542 2.989 0 40 GFAB COc1cccc(-c2ccc3nnc(SCC(=O)N4CCCCC4)n3n2)c1 5168109 KHSBGMVRNHATHY-UHFFFAOYSA-N 383.477 2.905 0 40 GFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10253635 FETKSJQSFHLPFN-UHFFFAOYSA-N 386.429 2.966 0 40 GFAB CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc2ccccc12 5699857 LGJVTWQAPSYVLU-UHFFFAOYSA-N 383.473 2.952 0 40 GFAB O=C(CNC(=O)c1ccco1)NCc1cccc(C(=O)Nc2ccccc2)c1 40106705 OMJZUWXNRGNQCB-UHFFFAOYSA-N 377.400 2.578 0 40 GFAB CCN(C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2s1 101098117 UOKDMGXXBXCGGO-ZIAGYGMSSA-N 383.473 2.991 0 40 GFAB C[C@@H](OCc1ccccc1)C(=O)NCCN1CCN(Cc2ccccc2)CC1 32064916 FYVASHMSQABZNI-HXUWFJFHSA-N 381.520 2.526 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 7805362 DJSLWMLMGOSIIP-UHFFFAOYSA-N 381.432 2.613 0 40 GFAB CC(C)c1csc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 29775856 BJGMWFVAYBSYQY-IBGZPJMESA-N 384.461 2.599 0 40 GFAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2cccs2)on1 60344669 RCDFCKGHTLAOAG-UHFFFAOYSA-N 379.482 2.749 0 40 GFAB Cc1ccc(N2N=C(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)CCC2=O)cc1Cl 11956717 NHBDNZWFUZEZGC-LBPRGKRZSA-N 393.871 2.978 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c1 16351861 MNXHIKPWPIAMHR-AWEZNQCLSA-N 386.448 2.742 0 40 GFAB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccc2c(c1)CCC2 21468655 FJJAGFDZTGVTTL-KGLIPLIRSA-N 391.423 2.974 0 40 GFAB O[C@@H](COc1ccc(F)cc1)CSc1nnnn1CCc1cccs1 32865274 CJLFCUJZFQYODU-ZDUSSCGKSA-N 380.470 2.648 0 40 GFAB CC(C)Cn1c(SCC(=O)NCc2cccs2)nc2ncccc2c1=O 32893409 ORCBRBKGEOXAKB-UHFFFAOYSA-N 388.518 2.918 0 40 GFAB CCc1ccccc1NC(=O)c1cc(S(N)(=O)=O)ccc1Br 32904914 DZLLHNRIRHXHRM-UHFFFAOYSA-N 383.267 2.911 0 40 GFAB COC(=O)C1(NC(=O)C2(NC(=O)OCc3ccccc3)CCCC2)CCCC1 4896448 PWZZVBQBCCBDSG-UHFFFAOYSA-N 388.464 2.828 0 40 GFAB COc1cccc(CN(CC(=O)NCc2ccccc2)C(=O)c2csnn2)c1 4964893 ZUTUHKCPNYBQBV-UHFFFAOYSA-N 396.472 2.506 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCC(C)C)cc1 33141751 BBBKRFAZLSETIW-UHFFFAOYSA-N 382.507 2.968 0 40 GFAB CCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(-c3cccs3)on2)c1C 59852789 DXJIJDBCBRRBNY-UHFFFAOYSA-N 380.495 2.905 0 40 GFAB Cc1ccc(C(=O)CC[C@@H](C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 3050914 UQFZMPSMLHTOBT-KRWDZBQOSA-N 379.865 2.939 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ncnc3ccccc23)CC1 8036334 BHQNVITXFLREEU-UHFFFAOYSA-N 394.500 2.629 0 40 GFAB CCCn1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc2ccccc21 12524778 NYMNMEJWXFMDIK-GJZGRUSLSA-N 382.464 2.950 0 40 GFAB CCOc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O 22273395 ATVCWHJYIVKPBF-UHFFFAOYSA-N 376.478 2.510 0 40 GFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1ccncc1 24434566 RCRYGRHHGZHPJH-MRXNPFEDSA-N 375.450 2.574 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(CN4CCOC4=O)c3)C2=O)cc1 55142691 CDSWWUKHVYVINB-GOSISDBHSA-N 379.416 2.691 0 40 GFAB COc1ccc(CCNC(=O)CCCn2cnc3ccccc3c2=O)cc1OC 24613954 DFDOLLIOEXZZQZ-UHFFFAOYSA-N 395.459 2.553 0 40 GFAB Cc1[nH]c(C(=O)Nc2ccccc2NS(C)(=O)=O)c(C)c1C(=O)OC(C)C 24891147 UZWQBBCTUXXQPW-UHFFFAOYSA-N 393.465 2.821 0 40 GFAB O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCN(Cc2ccccc2)CC1 22235407 DWJCEGFRQSLXQE-UHFFFAOYSA-N 387.483 2.906 0 40 GFAB O=C1COc2cc(C(=O)OCC(=O)N3CCC[C@H]3c3cccs3)ccc2N1 24972020 KVAPJJUVASLCDX-AWEZNQCLSA-N 386.429 2.600 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)c3ccnc(Cl)c3)CC2)cc1 25385098 GMQWPDNHKVPDIN-UHFFFAOYSA-N 375.856 2.580 0 40 GFAB COC(=O)[C@@H]1Cc2ccccc2CN1[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 25387028 YMIGHRTTYJDODZ-UXHICEINSA-N 392.455 2.535 0 40 GFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1c1ccc(F)cc1 25537783 QXOJQHVWXQRGOZ-GOSISDBHSA-N 381.407 2.583 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2cccnc2SC)N2CCOCC2)cc1 25776980 BAZGLWUBBBAFBE-GOSISDBHSA-N 387.505 2.615 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 12623821 DRBMMYHUWDPDMH-UHFFFAOYSA-N 386.395 2.886 0 40 GFAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1cccc(NC(C)=O)c1 57505176 OEQKJJPKRSPQOA-UHFFFAOYSA-N 388.474 2.777 0 40 GFAB COc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)c(OC)c1 26533795 SBNPCIGTVRYRQW-LICLKQGHSA-N 379.441 2.691 0 40 GFAB COC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)N(C)C1CCCCC1 57985399 JDXYKXJFYBPRAW-UHFFFAOYSA-N 388.917 2.824 0 40 GFAB O=C1CCCN1Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 26832544 ZXZQEIOVDGOMEV-UHFFFAOYSA-N 378.881 2.941 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113957245 RERDIPOHCNGXQR-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB O=S(=O)(Nc1ccc2c(c1)CCCN2Cc1ccccc1)N1CCOCC1 58263869 OWVBXTOCAZFKCQ-UHFFFAOYSA-N 387.505 2.628 0 40 GFAB CCCNc1nnc(SCC(=O)NCCOc2ccccc2OC)s1 27799615 YQVVXFCTXGPYLB-UHFFFAOYSA-N 382.511 2.656 0 40 GFAB O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 3348022 GEMOJSCYVGOOTC-UHFFFAOYSA-N 380.400 2.689 0 40 GFAB Cc1cc(=O)n2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)sc2n1 12797318 DHKJSFHWJFFVRU-OAHLLOKOSA-N 398.488 2.958 0 40 GFAB COc1ccc(CNC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)cc1 2422975 FZENCMDSLMFIDT-UHFFFAOYSA-N 376.482 2.780 0 40 GFAB CC(C)OC(=O)CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 48536301 SZPXGQUUEVUSNA-OKILXGFUSA-N 381.448 2.903 0 40 GFAB COC(=O)c1ccc(CNC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1 8235603 PPVBPGPHRCCCEP-UHFFFAOYSA-N 393.443 2.769 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)Nc1ccnn1C1CCCC1 8429788 YYDPBWWTPLPOCW-UHFFFAOYSA-N 399.480 2.713 0 40 GFAB Cc1nc2sc(C(=O)OCC(=O)Nc3ccccc3F)c(C)c2c(=O)[nH]1 6586941 SPRJNBJNDNUIMP-UHFFFAOYSA-N 375.381 2.536 0 40 GFAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 5883200 XFHNDYROBLXZQB-UHFFFAOYSA-N 382.507 2.741 0 40 GFAB O=c1c2ccccc2c(-c2nnc(SCCO)o2)nn1Cc1ccccc1 7038103 VNKKFWDLZXJLCN-UHFFFAOYSA-N 380.429 2.579 0 40 GFAB CCOc1ccc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(OC)cc2)cc1 67340456 PBIXTLZLXVOXCF-QGOAFFKASA-N 391.445 2.994 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 17856260 DAVCJQUUXBEGMJ-HNNXBMFYSA-N 383.423 2.550 0 40 GFAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 18023474 OSCKRIGWCZJQQC-MUGJNUQGSA-N 376.387 2.805 0 40 GFAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)C(F)F)cc1 15998639 VXHSDTROGPVZKW-UHFFFAOYSA-N 383.372 2.635 0 40 GFAB C[C@@H](OC(=O)c1cnn(C)c1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 18348392 FZKFUMLLGUYFTA-SSDOTTSWSA-N 376.722 2.671 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 18947485 BSUYUDMNCITPMQ-UHFFFAOYSA-N 391.493 2.814 0 40 GFAB COc1cccc([C@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1 7716551 DNTYKDHCBMIEIA-RBUKOAKNSA-N 390.443 2.620 0 40 GFAB CCCc1nnc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)s1 9206219 LUOSAFIZPDWBOD-UHFFFAOYSA-N 375.841 2.942 0 40 GFAB COc1ccc(C2(C(=O)NCc3nc4ccccc4n3C)CCOCC2)cc1 96232310 YFGHBZYVYXUKTN-UHFFFAOYSA-N 379.460 2.947 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 9419671 NNCIUWIEXGRORC-QGTPRVQTSA-N 387.480 2.591 0 40 GFAB Cc1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 9484617 OSWIOSVGVITSQO-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1cc(N2CCCS2(=O)=O)ccc1Cl 72312425 MABXRVQOLAEGRW-BBRMVZONSA-N 399.944 2.987 0 40 GFAB O=C(C[S@](=O)Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 84403271 QXDYENRSXFFLSI-SANMLTNESA-N 378.444 2.562 0 40 GFAB Cc1nn(Cc2ccc(F)cc2)c2[nH]nc(NC(=O)[C@@H]3CCn4cncc4C3)c12 95972825 DWBMUSZBMVAGTI-CQSZACIVSA-N 393.426 2.653 0 40 GFAB COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(OC)c1 20043060 GLRBVEACNHLEAQ-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccc(F)cc5)CC4)nccn23)cn1 306123221 AHOUQPVFXGNYEN-UHFFFAOYSA-N 391.454 2.591 0 40 GFAB O=C(NCC1(c2ccccc2)CCOCC1)N1CCN(c2ccccc2O)CC1 122335703 WGJLLEQWWMNNKV-UHFFFAOYSA-N 395.503 2.972 0 40 GFAB O=S(=O)(NC1(c2nc[nH]n2)CCC1)c1cc(Cl)ccc1OCCC1CC1 509765099 DSSVHXWEXMLZSI-UHFFFAOYSA-N 396.900 2.995 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3C)cc1 35590344 ZPRCWVXXTGNPKQ-HXUWFJFHSA-N 377.444 2.730 0 40 GFAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@@H](C)NC(=O)c1ccccc1)CC2 5451968 ILXRGXDVXWACQJ-HUUCEWRRSA-N 382.460 2.968 0 40 GFAB biogenic COc1ccc(CCC(=O)NCCNC(=O)c2cn(C)c3ccccc23)cc1 32123937 NBDNHVSRPIWMMO-UHFFFAOYSA-N 379.460 2.666 0 40 GFAB biogenic Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccnc1 223567868 FAADBLWZXRWRGC-UXHICEINSA-N 393.516 2.849 0 40 GFAB CC[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(OC)cc1 44886390 QTCPABXCVCNBTA-QGZVFWFLSA-N 376.478 2.972 0 40 GFAB CN(c1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1)S(C)(=O)=O 223274015 XQZNPOTXWIJQOT-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 225134435 CCSZKSBBJVHHTP-ZDUSSCGKSA-N 392.477 2.956 0 40 GFAB Cc1ccccc1C(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225002 LSWWBNAHFRXFJH-NRFANRHFSA-N 378.432 2.780 0 40 GFAB O=C(O)COc1ccc(CN2CCC[C@@H](c3cncc(-c4ncc[nH]4)n3)C2)cc1 257272642 NDGMYQYCMLFUDR-MRXNPFEDSA-N 393.447 2.710 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)CC2)ncn1 257237279 HFVJEYLJZDOFSK-MRXNPFEDSA-N 394.479 2.967 0 40 GFAB COC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515970 OZMAUZVDXVMFMQ-LMMKCTJWSA-N 393.505 2.993 0 40 GFAB CN1CCC(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1 257215686 CRFIBNDYOAMZRT-IBGZPJMESA-N 387.455 2.646 0 40 GFAB COc1cc(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c2ccccc2n1 613004784 FPODIHWGZMLOKR-JWTNVVGKSA-N 394.519 2.626 0 40 GFAB CO[C@@]1(C(=O)O)CCN(C(=O)Cc2cccc(OCc3ccccc3C)c2)C1 630250881 CYWGCCHKLGMWOQ-QFIPXVFZSA-N 383.444 2.819 0 40 GFAB CC1(N2CCCC2)CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 633941831 HEEGWPMSLSFEGJ-UHFFFAOYSA-N 377.920 2.821 0 40 GFAB Cn1nnc2c1CC[C@H](NC(=O)Nc1cc(CC3CC3)nn1-c1ccccc1)C2 654041461 NPAIAPZOTUPKIF-HNNXBMFYSA-N 391.479 2.632 0 40 GFAB C[C@](NCc1cccc2c1CCNC2)(C(N)=O)c1cccc(C(F)(F)F)c1 662281049 HZHKPXBLJZISIG-LJQANCHMSA-N 377.410 2.841 0 40 GFAB O=C(NCCCc1ccccc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377663 DNQIRTAGNIJLAV-UHFFFAOYSA-N 376.453 2.626 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCC2(c3ccsc3)CCOCC2)c1 952990337 XYVQGOJHUMYPHC-UHFFFAOYSA-N 397.518 2.792 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OC)c1 5744112 WAPGGPQYMGMJND-UKTHLTGXSA-N 386.404 2.674 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1nnc(-c2ccccc2)s1 5948130 TYFQUVOCHKXNMP-UHFFFAOYSA-N 395.473 2.912 0 40 GFAB Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)NCc1ccco1 12129487 CEWBBXFIAFNSOQ-UHFFFAOYSA-N 384.388 2.937 0 40 GFAB C[C@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)Nc1ccc(CCO)cc1 13569722 ZVOMZVZKSGXFFN-VIFPVBQESA-N 377.857 2.660 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 13649846 ISGDHWGVXHCHOG-OAHLLOKOSA-N 388.489 2.829 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210532 WMTBKKBQNKWDRP-VDVULAQNSA-N 396.418 2.516 0 40 GFAB Cc1cccn2c(=O)c(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)cnc12 19663167 YMSFDXWBFVWRBP-KRWDZBQOSA-N 384.867 2.689 0 40 GFAB CNc1ncc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)N3CCCC3)c2)cn1 19665979 SVGCAJFFQIXGTN-UHFFFAOYSA-N 394.479 2.607 0 40 GFAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 19713620 WMHKQXJQZIIQBZ-NZQKXSOJSA-N 399.535 2.567 0 40 GFAB Cc1cc(C)nc(N2CCC(CC(=O)Nc3ccc4c(c3)oc(=O)n4C)CC2)n1 19748854 SGVZSFYBBUIVAN-UHFFFAOYSA-N 395.463 2.784 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc1 12745379 ZENPSGDXCVXWGX-MRXNPFEDSA-N 380.448 2.619 0 40 GFAB COc1cccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c1 19565114 NVXDYUHSUHEDMU-INIZCTEOSA-N 377.448 2.615 0 40 GFAB C[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C[C@@H](C)O1 257218577 DDPODEIIOUTDCW-RKICNMKPSA-N 383.492 2.610 0 40 GFAB C[C@H](CC(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1)c1ccccc1 575606594 NFIMRXPBYVUSIX-CYBMUJFWSA-N 396.413 2.958 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4477020 DTHUQYUVEJYKKP-FOOFDJGMSA-N 395.503 2.847 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@]1(O)CCCc2sccc21 1889152049 CYPGKRFVLLNSDA-SFHVURJKSA-N 381.519 2.876 0 40 GFAB O=C([C@@H]1CCCO1)N1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 20949739 KUHQKOZUVYXHOU-INIZCTEOSA-N 375.856 2.818 0 40 GFAB Cn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 20972724 UEOOZMBIWSGTKH-UHFFFAOYSA-N 393.432 2.658 0 40 GFAB Cn1cc(S(=O)(=O)Nc2cccc(C3SCCCS3)c2)cc1C(N)=O 28240147 OYAZNWUIHAQAME-UHFFFAOYSA-N 397.547 2.794 0 40 GFAB CC(C)N1CCCC[C@@]2(CN(C(=O)CCc3ccc(F)cc3)CCO2)C1=O 2037985607 PKEJKJNOUMJEJA-OAQYLSRUSA-N 376.472 2.777 0 40 GFAB O=C(c1ccc(F)cn1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037988483 MZKQSTOFHNVILQ-NRFANRHFSA-N 383.423 2.649 0 40 GFAB O=C(CSc1ccc(-c2cccnc2)nn1)N1CCN(c2ccccc2)CC1 4272436 RMZFRWOYXJFECM-UHFFFAOYSA-N 391.500 2.980 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)N(C)Cc3ccccc3)CC2=O)cc1OC 4374556 VCNHMUVUYJCORA-MRXNPFEDSA-N 383.448 2.651 0 40 GFAB COc1cc(OC)cc(C(=O)N(c2ccc(C)cc2)[C@H]2C=CS(=O)(=O)C2)c1 5070913 RCZLZWUEWWSEAL-KRWDZBQOSA-N 387.457 2.970 0 40 GFAB COc1cc(-c2nnc(Cn3cnc4ccccc4c3=O)o2)cc(OC)c1OC 11203956 KMUMCONSPBLFFA-UHFFFAOYSA-N 394.387 2.521 0 40 GFAB CN(Cc1nnc(C(F)(F)F)o1)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775975989 SMXJAXGBYITKFP-UHFFFAOYSA-N 390.369 2.866 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)c1C 585149212 HHHBJERLXHKZIX-INIZCTEOSA-N 387.509 2.814 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)NCCNc1ccc(Nc2cccnc2)nn1 11796957 JYDBTISQDWXPEI-OAHLLOKOSA-N 378.436 2.611 0 40 GFAB CC(C)NC(=O)CN1CCCN(C(=O)CSc2ccc(C(C)C)cc2)CC1 40120316 FYBFTCANJVBBDU-UHFFFAOYSA-N 391.581 2.961 0 40 GFAB CCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)C)cn2C)s1 30647051 AJHVWLGTYDFUEN-UHFFFAOYSA-N 399.542 2.548 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N3)cc1 20721092 OWKWPGQUEZDBMJ-INIZCTEOSA-N 377.404 2.784 0 40 GFAB CCc1c(O)nc(SCC(=O)N(CC)CC)n(-c2ccc(F)cc2)c1=O 657590 ALAYPSRAXZXVFU-UHFFFAOYSA-N 379.457 2.600 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)cc1 873493 WKWGHAWDLLZZLK-UHFFFAOYSA-N 385.401 2.960 0 40 GFAB CC(C)(C)c1nc2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CN3)ccc2[nH]1 32830247 QLHOEKFGBBTPIR-UHFFFAOYSA-N 390.447 2.749 0 40 GFAB CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc2C1 4517705 DCQSZRTZVCSSOY-UHFFFAOYSA-N 378.475 2.954 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)Cc2ccccc2Cl)sc2c1CCC2 7534427 AOSFLROILRUUFG-UHFFFAOYSA-N 392.864 2.714 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 7737070 MCLYWKDZLBPOIX-HZPDHXFCSA-N 398.434 2.867 0 40 GFAB COc1ccccc1NC(=O)C1CCN(CC(=O)NCc2cccs2)CC1 29904387 BKDUZAYUCCAZHN-UHFFFAOYSA-N 387.505 2.724 0 40 GFAB Cc1cc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)ncc1Br 97022067 FOFSUWLSLJXBBE-KRWDZBQOSA-N 389.297 2.501 0 40 GFAB C[C@H]1CCc2c(sc3ncnc(N4CCN([C@@H](C)C(=O)NC5CC5)CC4)c23)C1 22195922 PVTDDPDEVNSPMZ-KBPBESRZSA-N 399.564 2.605 0 40 GFAB COc1cc(CNC(=O)CSCc2c(C)noc2C)cc(OC)c1OC 23958762 GHLMCRWZFRRYEG-UHFFFAOYSA-N 380.466 2.867 0 40 GFAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C1CC1 12323500 LBXVZGYMWSXXMV-UHFFFAOYSA-N 376.478 2.933 0 40 GFAB COc1ccc([C@H](CNC(=O)c2c[nH]c3ccccc23)N2CCOCC2)cc1 24573222 CEHSNNAVICIMPB-NRFANRHFSA-N 379.460 2.980 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccccc3OC)CC2)c1C 2960710 BXVJMRKAQVCTAT-UHFFFAOYSA-N 385.464 2.779 0 40 GFAB COc1cc(OC)cc([C@H](NC(=O)c2n[nH]c3ccccc23)c2nccn2C)c1 24983688 GWJIWISKIFOWLY-SFHVURJKSA-N 391.431 2.833 0 40 GFAB CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc2c(c1)OCCO2 55963714 YGDLIHZARMPYQH-RDJZCZTQSA-N 384.432 2.667 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113940671 NJPZFGLVFPZPRV-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)OC(C)(C)C 57826669 QWBMDSSSBJHUDQ-HNNXBMFYSA-N 376.453 2.988 0 40 GFAB CCCS(=O)(=O)NC1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 58077648 IOJUSSUKIKLSHA-UHFFFAOYSA-N 394.541 2.613 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2ncc(C(N)=O)c2N1 101509942 RZAAPSQZEMYPPS-SFHVURJKSA-N 389.415 2.615 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 12895107 CNMDHQHSGZAYCF-ZDUSSCGKSA-N 381.432 2.750 0 40 GFAB Cc1nc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cs1 12984483 CPRDALMEFDTMCI-OZSKJFCKSA-N 376.503 2.681 0 40 GFAB COc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc3c2=O)cc1OC 4167250 IBVNWRSIIDTTEE-KRWDZBQOSA-N 398.440 2.811 0 40 GFAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1nnc(-c2ccccc2)o1 4267345 DHDBKVMBBQOJNA-UHFFFAOYSA-N 391.416 2.991 0 40 GFAB CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc(C(=O)NC)c1C 14198844 UTTQPZCJYFMQOA-UHFFFAOYSA-N 390.461 2.783 0 40 GFAB CNc1snc(C)c1C(=O)OCCCOC(=O)c1c(C)nsc1NC 14241133 QNAOMCGWEDBOLU-UHFFFAOYSA-N 384.483 2.704 0 40 GFAB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 5517823 PKUVBKQBUFCDNX-GOSISDBHSA-N 395.415 2.748 0 40 GFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccccc1 6646577 WVQHKYSFZDYYPF-ATVHPVEESA-N 382.441 2.843 0 40 GFAB COC(=O)c1cc(CNC(=O)CCc2cccc(OC)c2OC)ccc1OC 19598088 ZUDXZHBRZUVSAF-UHFFFAOYSA-N 387.432 2.748 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl 4839083 WSPMAIHJLHCDLM-UHFFFAOYSA-N 376.815 2.985 0 40 GFAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(OC[C@@H]2CCCO2)cc1 4988931 BEEWTFUDFBTLLJ-NRFANRHFSA-N 395.455 2.986 0 40 GFAB COc1cccc(-n2nnc(C(=O)NCc3ccccn3)c2-c2ccncc2)c1 67261799 XQSZNIVXDXAQDO-UHFFFAOYSA-N 386.415 2.663 0 40 GFAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(Cl)nnnc4c23)CO1 19707141 IVTVTPYFRRAATL-UHFFFAOYSA-N 391.884 2.976 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)s1 7698918 JTEKOVUWTFZWPP-MRXNPFEDSA-N 386.473 2.523 0 40 GFAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1sccc1C(N)=O 7813498 KUBPJJBFSIHJCG-CQSZACIVSA-N 391.518 2.646 0 40 GFAB Cc1ccc(C2=NN(C(=O)CN(C)CC(=O)NC(C)C)[C@@H](c3ccco3)C2)cc1 7923881 YNLDSBBDFPKJFY-LJQANCHMSA-N 396.491 2.722 0 40 GFAB COc1cc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)ccc1N1CCCC1=O 72311430 XKWMOIAVXHCZKD-HOTGVXAUSA-N 383.452 2.934 0 40 GFAB CN1CCN(Cc2ccccn2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 306135917 PEIZDRTYIHFJAZ-NRFANRHFSA-N 385.475 2.675 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2NC1=O 8016355 UHUBHYIPLIAKIV-GFCCVEGCSA-N 389.452 2.992 0 40 GFAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(C(N)=O)CC1 8317962 ILAGRBSIFYKCJT-SECBINFHSA-N 377.794 2.883 0 40 GFAB O=C1C(=O)N(Cc2nc(-c3cccs3)no2)C(=O)N1CCC1=CCCCC1 9583403 OWYFQZYYXXOCOR-UHFFFAOYSA-N 386.433 2.979 0 40 GFAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(CN2C(=O)CNC2=O)cc1 9657556 NCQUOTLMNHWPKK-UHFFFAOYSA-N 393.428 2.509 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 9640978 MAZKQCDUBHPEDO-QFIPXVFZSA-N 393.443 2.925 0 40 GFAB O=S(=O)(Nc1cc(-n2cnnn2)ccc1Cl)c1ccc2c(c1)CCC2 95995741 KBDPXUGCHCUAEJ-UHFFFAOYSA-N 375.841 2.605 0 40 GFAB Cc1nc(CN2CCN(Cc3c(C)nn(-c4ccccc4)c3Cl)CC2)no1 95959652 AYYDANFRFWYCAF-UHFFFAOYSA-N 386.887 2.843 0 40 GFAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1n[nH]c(Cc2ccc(F)cc2)n1 79474487 NNONRIGYZVAUBF-UHFFFAOYSA-N 398.446 2.500 0 40 GFAB COc1ccc(/C=c2/sc3nc(-c4ccccc4C)nn3c2=O)c(OC)c1 26533873 UAFZTNDLBNLXGC-LICLKQGHSA-N 379.441 2.691 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)C[C@@H](c3ccsc3)n3cnnn3)ccc12 524732838 SGXADSCXAOVXEZ-HNNXBMFYSA-N 381.417 2.768 0 40 GFAB COc1ccc([C@H](NC(=O)NC2CCN(c3ccccn3)CC2)C2CC2)cn1 527684073 GWBHPBBBGVRWNV-HXUWFJFHSA-N 381.480 2.905 0 40 GFAB CCc1nnc(NC(=O)[C@H](CC)Sc2nnc(-c3cccnc3)n2C)s1 35655246 YRXOTAUUYUNQMD-NSHDSACASA-N 389.510 2.800 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1Cl 30321313 SNQWTZODZWZFKR-UHFFFAOYSA-N 383.853 2.941 0 40 GFAB COc1cccc(-n2cc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccnn3C)C4)nn2)c1 562718388 RBPPILBONGNCPP-IRXDYDNUSA-N 392.463 2.560 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(CCOc4cccc(C)c4)C3)ncc2C1 72390876 DQYYJNVVXCENJI-IBGZPJMESA-N 394.519 2.948 0 40 GFAB Cc1ccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 44843934 POKQTWPDQQQJTL-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB COc1cc2cc(CSCCNC(=O)c3ccco3)[nH]c(=O)c2cc1OC 226848791 LQYFKHXZUGNHBD-UHFFFAOYSA-N 388.445 2.802 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)s1 225084724 OIXXDHQMYYIYLB-NSHDSACASA-N 381.479 2.826 0 40 GFAB CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)s1 225671483 DNUPZHUQSIXPTL-UHFFFAOYSA-N 398.535 2.750 0 40 GFAB COc1cc(OC)c(NC(=O)Cn2c(C)nc3c(c2=O)CCCC3)cc1Cl 49404725 QIFXVKHJDBEPQD-UHFFFAOYSA-N 391.855 2.740 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 223701462 ZCFZBHIMQSBSKR-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB CCOCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224410480 VEDWRPLQPBCJHX-UHFFFAOYSA-N 390.505 2.664 0 40 GFAB NC(=O)c1cc([C@H]2CCCCN2C(=O)CSc2c[nH]c3ccccc23)n[nH]1 225557549 WHTKNVBYJREQSD-MRXNPFEDSA-N 383.477 2.836 0 40 GFAB O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1 90469692 WXQFHIXVEGWTFS-GOSISDBHSA-N 398.415 2.731 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242649245 RYHGUKGEQGOVDM-ZHALLVOQSA-N 393.892 2.788 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3ccco3)C2)cc1 252311058 SAJVNFSZANLXFQ-AZUAARDMSA-N 388.489 2.559 0 40 GFAB COc1ccccc1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(C)=O 257279826 OIIWLSNITDDMFX-QRXQEZHUSA-N 386.492 2.855 0 40 GFAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@H](C)C2)n1 260742631 XRFLANJVVZRCMX-NSHDSACASA-N 375.527 2.570 0 40 GFAB CC12CC(CN1C(=O)NCc1ccc(-c3ccc(OCC(N)=O)cc3)cc1)C2 621563735 NIMGTUOSLIXYFV-UHFFFAOYSA-N 379.460 2.912 0 40 GFAB Cc1ccnc(Nc2cc(NCCNC(=O)COc3ccccc3)ncn2)c1 90607906 MNNQBXCJABBSDI-UHFFFAOYSA-N 378.436 2.531 0 40 GFAB Cc1ccc2ncc(-c3cccc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)n3)n2c1 585262733 ASYKRDVVZXZALJ-MRXNPFEDSA-N 399.520 2.691 0 40 GFAB Cc1ccc(C)c(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1C 585284767 ZTQGRQUXMNDFHG-REWPJTCUSA-N 391.552 2.874 0 40 GFAB CCc1noc(C2(NC(=O)C(F)(F)c3c(F)cccc3F)CCOCC2)n1 585141978 KGKWBWYCEXCPFA-UHFFFAOYSA-N 387.333 2.824 0 40 GFAB CCN1CCN(C(=O)CNC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183560 AYLFEHVRCIOULL-IBGZPJMESA-N 397.494 2.562 0 40 GFAB CCOCCOc1ccc(CN(C)C[C@@H](O)COc2ccc(OC)cc2)cc1 585269847 MCOBDRHABVJJHY-LJQANCHMSA-N 389.492 2.982 0 40 GFAB O=C1N[C@H](Cc2cccc(I)c2)C(=O)N1c1ccccc1 5004508 PQXQKVNQASRPNX-CQSZACIVSA-N 392.196 2.959 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1 12208830 MMQJZNLLSKQSJB-QFIPXVFZSA-N 393.443 2.590 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)on1 12337692 WROSTVMSDNCYCG-HNNXBMFYSA-N 391.431 2.833 0 40 GFAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1 16553572 KDLQJIFHLIUSRV-UHFFFAOYSA-N 382.489 2.589 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN3CCOc3ccc(F)cc3)ncc2C1 19018617 RGOQMNUXEJWEHK-HXUWFJFHSA-N 384.455 2.736 0 40 GFAB Cc1cc2nc(C[C@@H](NC(=O)c3ccncc3)c3ccc(F)cc3)cc(O)n2n1 19129887 SPQYSTGERXXISQ-GOSISDBHSA-N 391.406 2.991 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccc(C)c(C)c3)C2)c2nccnc21 19213926 LRNALZJKJIVDSZ-IBGZPJMESA-N 392.507 2.569 0 40 GFAB CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 19496193 OZOZBCWDVAWQBC-UZLBHIALSA-N 389.515 2.948 0 40 GFAB CCOc1ccccc1-c1nnc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)s1 19520226 ZQGFSUWKNWAZEE-BETUJISGSA-N 376.482 2.652 0 40 GFAB Cc1c(CN2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cnn1C 19553650 UOSKGSDQLDNTMQ-KRWDZBQOSA-N 385.512 2.968 0 40 GFAB COc1ncc(CN2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 19572124 NVEPPHORIAFPBH-AWEZNQCLSA-N 383.477 2.677 0 40 GFAB in-vitro Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 19698311 JGGMIRNUOUHQGK-OAQYLSRUSA-N 396.539 2.966 0 40 GFAB CN(CCc1ccccn1)C(=O)C1CN(C(=O)C(C)(C)c2ccccc2F)C1 19748674 RJMLOPRTWWFQFJ-UHFFFAOYSA-N 383.467 2.658 0 40 GFAB CC1=NCCN1S(=O)(=O)c1cc(Br)ccc1Br 19943299 LQBNZVVGPQDNDV-UHFFFAOYSA-N 382.077 2.634 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C 4550146 ZBBFEEGWMPCPSF-SLEUVZQESA-N 378.469 2.906 0 40 GFAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1cccc(Br)c1 6229667 JVTBNQYWZWPCRZ-OAHLLOKOSA-N 392.205 2.771 0 40 GFAB O=C(NC1CCCCCC1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6851728 TZNQOZHJTOZHJM-HNNXBMFYSA-N 389.521 2.687 0 40 GFAB Cc1nc(N2CCN(c3nccc4sccc34)CC2)cc(-n2cccn2)n1 1889214358 GQBYXCPCZWWIHG-UHFFFAOYSA-N 377.477 2.907 0 40 GFAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)/C=C/c1cccs1)CC2 1614937496 NCFCTERMVIWOCA-OZSKJFCKSA-N 376.522 2.885 0 40 GFAB Cc1nc(CN2CCN(C(=O)CCc3cncnc3)Cc3cccnc32)cs1 1565548416 COYURJGXYCFBRK-UHFFFAOYSA-N 394.504 2.618 0 40 GFAB COC(=O)[C@]1(C(F)(F)F)CC(C)=C(C)CN1S(=O)(=O)c1ccccc1 4594169 DXWBNFRYRMBPHV-HNNXBMFYSA-N 377.384 2.892 0 40 GFAB O=C(c1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 8769310 OVRFOTFIMBUPRO-UHFFFAOYSA-N 381.407 2.553 0 40 GFAB Cc1nc(CN2CC3(CCN(C(=O)CCc4ccc[nH]4)CC3)CC2=O)cs1 2055795940 WOVWKHNWCNHWRI-UHFFFAOYSA-N 386.521 2.754 0 40 GFAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1775969427 QQUVYZQLGOWGNE-AWEZNQCLSA-N 381.885 2.918 0 40 GFAB COc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)ccn1 1775976350 YYPVFKFRQVOVLJ-UHFFFAOYSA-N 394.353 2.990 0 40 GFAB CN(C)c1ccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)nn1 2086889845 VXDFWZBKZJPKDR-UHFFFAOYSA-N 380.521 2.988 0 40 GFAB O=C(NCCn1ccnc1-c1cnccn1)c1csc(-c2ccccc2)n1 575609831 QPRAFLAEMNXIDL-UHFFFAOYSA-N 376.445 2.894 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCC[C@@H](O)c2cc3ccccc3o2)c1 96097296 QWBUVCASWVTSHX-OAHLLOKOSA-N 391.445 2.852 0 40 GFAB COC(=O)Cn1/c(=N\C(=O)c2cc(C)oc2C)sc2cc3c(cc21)OCO3 100877955 BLMXVWSZSHGCRA-VHEBQXMUSA-N 388.401 2.555 0 40 GFAB O=C(CNC(=O)NCc1ccc(F)cc1)NCCCSc1ccccc1 40033496 MWJMYCRFMCRGSD-UHFFFAOYSA-N 375.469 2.924 0 40 GFAB CC(C)CC[C@@H](C)NC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 40159409 JXIOIQDITSIULY-BFUOFWGJSA-N 377.510 2.931 0 40 GFAB Cc1cccc(NC(=O)COC(=O)c2sccc2NS(C)(=O)=O)c1C 40138926 CNLGTUOEAXEMKP-UHFFFAOYSA-N 382.463 2.532 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1 40268820 OXAWQKXHISUPPJ-LJQANCHMSA-N 396.882 2.573 0 40 GFAB CN(Cc1cccs1)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 31529354 UWJMNDWSTRKYEX-CVEARBPZSA-N 378.494 2.689 0 40 GFAB CCc1nn2c(=O)cc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)nc2s1 20960869 RYUUPURJYUPXDE-UHFFFAOYSA-N 390.774 2.596 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1ncc(-c2ccccc2)o1 102129383 NWYNHKJQIOUBNQ-IYBDPMFKSA-N 380.400 2.726 0 40 GFAB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)C(C)(C)C 18068683 KBFDNAPGBWEVPX-YDZRNGNQSA-N 396.487 2.524 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1OC 904695 QNLPJTGMIUNJJB-UHFFFAOYSA-N 389.437 2.527 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)cc1 1353467 GOJVMGOKTSZYGB-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB Cc1cc(C)nc(SCc2nnc(SCC(N)=O)n2-c2ccccc2)n1 2706281 RGIZVTPFEZGZCL-UHFFFAOYSA-N 386.506 2.544 0 40 GFAB COCCOc1ccc(S(=O)(=O)NCCc2cc(C)ccc2OC)cc1C 32831129 JGCXQHPPSCWSAD-UHFFFAOYSA-N 393.505 2.858 0 40 GFAB C[C@H]1CN(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C[C@@H](C)O1 32895709 BIZGDUHSXVFRKW-IIYDPXPESA-N 384.498 2.920 0 40 GFAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@@H](C)CCc2ccco2)cc1 4355413 DRVPLLZXUGYCFZ-QZXCRCNTSA-N 390.505 2.667 0 40 GFAB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 78726061 QMLLCNSACJWILI-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 8038073 DWBZFBRSUKJOBL-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(N(C)C)cc1 33048498 WJKMOMKNFKAVIL-UHFFFAOYSA-N 377.466 2.911 0 40 GFAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 8270920 HSJLDLJQCZJUGK-OAHLLOKOSA-N 397.399 2.937 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)cn2)CCO1 46720633 ALFWHLGWCMVCGG-AWEZNQCLSA-N 395.438 2.766 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2C)cc1 8727770 OTUYPBVEQDJPKZ-UHFFFAOYSA-N 378.425 2.644 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1cccc(N2CCCC2=O)c1 23762685 VRPDFIJZWPGMMX-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB COc1cc(Br)c(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 103354915 BICLGWYTMONDSI-RYUDHWBXSA-N 380.238 2.918 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3csc(C)n3)CC2)cc1 22911909 DLXMRMRUFRQWKB-OAHLLOKOSA-N 388.537 2.995 0 40 GFAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)Cn2cc(Br)ccc2=O)o1 42398878 HBJJVLWZEQRNRF-SMDDNHRTSA-N 379.254 2.986 0 40 GFAB CCOCCOCc1cccc(NC(=O)N2CCN(C(=O)OCC)CC2)c1 47604181 NLXBJJVYMPGLCQ-UHFFFAOYSA-N 379.457 2.546 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc(OC)c(F)c2)N2CCOCC2)cc1 23761431 YFEOTEVWJNBWPK-IBGZPJMESA-N 388.439 2.646 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20567853 OATQVJNUBKXICL-UHFFFAOYSA-N 381.885 2.900 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC 12599672 WKURPAJXQMWCFF-VNHYZAJKSA-N 379.453 2.810 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCCC1=CCCCC1 25183953 UACARPCTMQQGGW-UHFFFAOYSA-N 379.478 2.628 0 40 GFAB CCc1nc2ccccc2n1CC(=O)NCc1ccc(OC)c(C(=O)OC)c1 12547177 UHUIOZGUQFNEJD-UHFFFAOYSA-N 381.432 2.710 0 40 GFAB O=C(NC(=S)Nc1nccs1)c1ccccc1I 1415139 TYJOEXWJTSCMNH-UHFFFAOYSA-N 389.243 2.875 0 40 GFAB CC[C@@H](C)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 1429006 ZOGXAQPCOMELAX-CYBMUJFWSA-N 376.482 2.906 0 40 GFAB COc1ccccc1C(=O)N1CCCN(C(=O)Cc2noc3ccccc23)CC1 56335311 XMNPVCLZEBPVGC-UHFFFAOYSA-N 393.443 2.754 0 40 GFAB COc1ccc2nc(NC3=NCN(Cc4ccccc4OC)CN3)nc(C)c2c1 20634216 FTKQHMLDDORKJZ-UHFFFAOYSA-N 392.463 2.744 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 28223418 CEHBIRHZECFSIS-MRXNPFEDSA-N 386.473 2.528 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1 3262217 ZALYNNDBHURPFS-UHFFFAOYSA-N 392.209 2.598 0 40 GFAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(SCC(N)=O)s2)cc1 12621549 ZMUBAZDENVZWKS-SECBINFHSA-N 382.536 2.797 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 48270192 MWMJLELXHZSIGT-HLIPFELVSA-N 387.524 2.902 0 40 GFAB COc1ccc([C@@H]2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)cc1 27357158 FPSBSDGCZXUBBM-IBGZPJMESA-N 376.478 2.559 0 40 GFAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(C)c(C)c2)n1 27743076 TYRSGCHGEMADNU-UHFFFAOYSA-N 398.282 2.902 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1NC(C)=O 113971097 DJIIMPTWNWMLRQ-UHFFFAOYSA-N 392.477 2.919 0 40 GFAB CC(C)(C)NC(=O)CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12798504 KPNNCKAROYGYIM-UHFFFAOYSA-N 395.912 2.949 0 40 GFAB Cc1ccc(NC(=O)COC(=O)C(C)C)cc1S(=O)(=O)N1CCCCCC1 11079125 NPVFQAKEYHYKPB-UHFFFAOYSA-N 396.509 2.697 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(CS(C)(=O)=O)c1 11083841 LRICCTXINNUNTA-UHFFFAOYSA-N 397.500 2.748 0 40 GFAB CCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 409390849 XFCMTSLTXJQTTC-UHFFFAOYSA-N 390.505 2.952 0 40 GFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCc1nnnn1Cc1ccccc1 11296987 SZCJUYNPMGDANH-UHFFFAOYSA-N 378.219 2.967 0 40 GFAB Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 11518285 VLELWYMJKLJGCK-UHFFFAOYSA-N 394.378 2.860 0 40 GFAB CSc1ccc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 12845344 BURPANGQOGTVAT-ZDUSSCGKSA-N 396.509 2.873 0 40 GFAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)NC1CCCCC1 3551485 UELOKGRRDZRFMP-UHFFFAOYSA-N 385.420 2.965 0 40 GFAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 3579034 UJVVYGMVLWUOLG-UHFFFAOYSA-N 390.461 2.547 0 40 GFAB COCCN1CN(c2cccc(C(F)(F)F)c2)c2nc(C)c(C)c(=O)n2C1 38830009 PHOKGHAUNQCJJP-UHFFFAOYSA-N 382.386 2.894 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 70801424 VVAHDKYAUOTYKP-OAHLLOKOSA-N 382.464 2.815 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)n2nc(CCCO)nc2N1 4151232 ROBACRFQQVQILY-LJQANCHMSA-N 390.447 2.526 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 5005063 OVTHHRJIJKVBEE-SUMWQHHRSA-N 391.493 2.570 0 40 GFAB O=C1N[C@H](c2cccs2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 6222079 SNYAFSBOUHECRX-CWSCBRNRSA-N 376.381 2.914 0 40 GFAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]c(=O)[nH]c2c1 14267000 ZJFGDDGKKGHUKH-UHFFFAOYSA-N 396.491 2.908 0 40 GFAB CCn1cc(CN2CCN(C(=O)c3cc(Br)cs3)CC2)c(C)n1 22402131 SATDIXHWTAKMEI-UHFFFAOYSA-N 397.342 2.993 0 40 GFAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 6650729 VUOQLTLYJWQDNC-GOSISDBHSA-N 391.880 2.875 0 40 GFAB CCOC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 4741871 DCKPUKAXIPUJDJ-UHFFFAOYSA-N 376.459 2.929 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCNC(=O)c2ccccc2Cl)[C@@H]1C 5755052 DSNVTXLYYVJOMB-CPUCHLNUSA-N 394.899 2.944 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)N1CCC[C@@H](c2ccccc2)CC1 66764728 AICWZPCPOMSGQR-GOSISDBHSA-N 376.460 2.978 0 40 GFAB C[C@@H]1CCC[C@H](N2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)[C@@H]1C 6851520 DPNUGJSSHMLGNP-OJLPPKNESA-N 387.358 2.849 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc2c(c1)OCCO2 15027521 QIQCPBWCFJZZQV-HXUWFJFHSA-N 382.416 2.916 0 40 GFAB CC(C)c1nc(CN2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cs1 96000013 UGMQNUJEQLHNGH-LBPRGKRZSA-N 383.543 2.741 0 40 GFAB CC1CCN(c2ccc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 7229147 WVEHNZLFDYPKGU-OAQYLSRUSA-N 384.480 2.582 0 40 GFAB COc1cc(OC)c(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1OC 7490596 LPDKTEGDOFVHOP-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB COC(=O)c1ccc([C@@H]2CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)CN2)cc1 306145482 GPNXCGBLAHTCQJ-OXJNMPFZSA-N 376.453 2.514 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1 8014673 DMLBXTWZSAAWCO-KGLIPLIRSA-N 379.416 2.706 0 40 GFAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N[C@H]1CCCCNC1=O 95365113 DHDKCMAFOHAMAW-ROUUACIJSA-N 375.469 2.563 0 40 GFAB COCCn1ccc2c(NC(=O)Cn3nc(-c4ccco4)ccc3=O)cccc21 79489013 LLPLTWBYUQJHQV-UHFFFAOYSA-N 392.415 2.743 0 40 GFAB CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(C)(C)C 89694552 BTNQWSMQNZCSDJ-LSDHHAIUSA-N 380.489 2.940 0 40 GFAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)NC(C)(C)C 35311048 IKYCIWORGPHKCF-UHFFFAOYSA-N 378.498 2.892 0 40 GFAB COc1cccc(N(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c1 113967433 JCXWHSVXEZRYCX-IIDMSEBBSA-N 380.510 2.546 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@H]3C[C@@H]4C=C[C@@H]3C4)cc2s1 170609924 SHJCPSSUUXMZIY-NQBHXWOUSA-N 377.491 2.610 0 40 GFAB CCOc1ccccc1CN1CCOC[C@]2(CC[C@H](CNc3ncccn3)O2)C1 306139675 TXKHWKMGZMRZAI-KNQAVFIVSA-N 398.507 2.737 0 40 GFAB COc1ccc(CN(C(=O)CCn2ncc(=O)c3ccccc32)C2CC2)cc1 32820231 UNHKMBMLGWCLFT-UHFFFAOYSA-N 377.444 2.986 0 40 GFAB O=C(NC1CCCCCCC1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 216448804 VLJCMVVEIDSUQU-UHFFFAOYSA-N 394.537 2.691 0 40 GFAB CC(C)NC(=O)COc1c(Br)cc(C(=O)O)cc1Br 217735099 MFUQZLTVBICSKS-UHFFFAOYSA-N 395.047 2.813 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 30871576 SSTBOOMRAZWJPE-UHFFFAOYSA-N 387.461 2.881 0 40 GFAB CCOCCCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339023 VDVSVDCAVITWMQ-VIDZHXABSA-N 386.492 2.874 0 40 GFAB CN(C)c1nccc([C@H]2CN(C(=O)NC3CCc4ccccc4CC3)CCO2)n1 562677460 WBYJZPFOIKVWKN-HXUWFJFHSA-N 395.507 2.573 0 40 GFAB CCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 225419960 FCQDPYFMJVNKJE-UHFFFAOYSA-N 390.505 2.698 0 40 GFAB CC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 222939928 JAVRRZRLGDBEGT-KRWDZBQOSA-N 397.518 2.837 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCOC(C)C)cc1 224696626 LEPGGIMMHPXQON-RGEXLXHISA-N 386.448 2.990 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1N1CCCC1=O 223889048 GAVMKZBEQKMJMW-UHFFFAOYSA-N 380.491 2.704 0 40 GFAB O=C(c1cscn1)N1C[C@@H]2CN(C3CCN(Cc4ccccc4)CC3)[C@H]2C1 96244899 DZGUPYCGOPTRNK-XLIONFOSSA-N 382.533 2.564 0 40 GFAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(C(=O)c1cnoc1)CC2 247829176 GWXQEMGWUYSXPN-QGZVFWFLSA-N 375.494 2.737 0 40 GFAB COc1ccc2cc(C(=O)N[C@@]3(CO)COc4ccccc4C3)c(C)nc2c1 529820417 OYGSKHSVRADUEL-QFIPXVFZSA-N 378.428 2.648 0 40 GFAB O=C1CCc2cc(C(=O)N[C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)O)ccc2N1 538469460 AKSRMBNGDJKSDR-SFHVURJKSA-N 395.390 2.617 0 40 GFAB CN1C(=O)C2(CCN(C(=O)c3ccccn3)CC2)C[C@H]1Cc1cccc(F)c1 257328767 XHAWDLHUUGJMPZ-GOSISDBHSA-N 381.451 2.917 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)Oc2ccccc21 250242976 MSYORMAEYGGTKZ-ACJLOTCBSA-N 392.452 2.620 0 40 GFAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCCN2CCCCC2)c1 257275092 NNWILARBMPYGIO-UHFFFAOYSA-N 380.492 2.600 0 40 GFAB Cc1ccn(-c2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3F)cc2)n1 680132858 XHHUBSTUIDERMY-LJQANCHMSA-N 378.407 2.633 0 40 GFAB Cn1cc(CC(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c2ccccc21 390832168 XTJNUGVWIYRGFH-CYBMUJFWSA-N 391.397 2.753 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 390827832 KWQLXFGTTYFCBA-ZDUSSCGKSA-N 399.472 2.795 0 40 GFAB CC(=O)O[C@@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)N(C)C(=O)[C@@]12Cl 5664673 HJLALHCILCKSMC-SEONNTABSA-N 381.815 2.815 0 40 GFAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc2c(c1)OC(F)(F)O2 16104404 UALSLNDRIQKXBH-UHFFFAOYSA-N 395.343 2.915 0 40 GFAB Cc1cc(C(F)(F)F)nc(SCC(=O)N2CC(=O)Nc3ccccc32)n1 16283823 IWBPFBGHGHQRCH-UHFFFAOYSA-N 382.367 2.881 0 40 GFAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)CC3CCCCC3)c3ncccc23)C1 19016518 LCFFSRJLTZBSGP-SFHVURJKSA-N 397.523 2.854 0 40 GFAB O=C(CCc1nc2ccccc2s1)NCc1cc(=O)[nH]c(-c2ccncc2)n1 19376652 IQSVHPBMSRXELH-UHFFFAOYSA-N 391.456 2.691 0 40 GFAB CCN1CCN([C@H](c2ccccc2F)c2nnnn2Cc2ccccc2)CC1 19528092 PHEXIPXQIOLREB-HXUWFJFHSA-N 380.471 2.587 0 40 GFAB COc1c(C)cc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)cc1C 19570066 LGFLNPJTYQIVNE-UHFFFAOYSA-N 396.491 2.574 0 40 GFAB CN1CCc2nc([C@@H]3CCCN(C(=O)c4ccc(N(C)C)cc4)C3)ncc2C1 19590444 PNIGIWVIUSZDFU-QGZVFWFLSA-N 379.508 2.550 0 40 GFAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@H]2CCCN2C(=O)C2CCCC2)C1 19707214 JUJJGZUNEZNIIG-HNNXBMFYSA-N 389.500 2.883 0 40 GFAB C[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccc1 19749217 XOKUTZMWAJEAJF-SFHVURJKSA-N 395.503 2.737 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3ccnn3C)C2)nc2c1CCCN2CC1CC1 19754785 VGFBBWLZOJQNBS-KRWDZBQOSA-N 394.523 2.701 0 40 GFAB COCCCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O 2809841 NJGWOVYRQUGXEX-UHFFFAOYSA-N 388.851 2.776 0 40 GFAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCn3nccc3C)C2)on1 13227760 YJQQDTMOBSSXMO-AWEZNQCLSA-N 386.481 2.803 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N(C)C 5844538 WSSVZJMSFREXGR-UHFFFAOYSA-N 394.927 2.761 0 40 GFAB COc1cccc(-c2cc3c(=O)n(CC(=O)NCc4cccs4)ccn3n2)c1 1889030499 UEQBNTSHGMCKGG-UHFFFAOYSA-N 394.456 2.550 0 40 GFAB Cc1cnc(N(C)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc1 1889205640 FUSWWDLYJZAYPA-MRXNPFEDSA-N 378.473 2.522 0 40 GFAB COc1ccc(C(=O)N2C[C@H]3CCN(Cc4csc(C)n4)CC[C@H]3C2)cn1 2056223963 JIAVFWMVJTZTDW-CALCHBBNSA-N 386.521 2.839 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479700 DOHHPLLKNCANQY-ZBFHGGJFSA-N 393.443 2.724 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c(C)c1 9660976 ICPCTVUWRLBZEE-UHFFFAOYSA-N 397.500 2.814 0 40 GFAB COc1ccc(CCC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 9660815 CATWXOZVDYGTDM-UHFFFAOYSA-N 377.444 2.668 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccsc2)CC1 22765557 HLFDENHWJKYVQV-SFHVURJKSA-N 397.500 2.573 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 40566498 HVCPHFLKCMRUGW-GJZGRUSLSA-N 384.457 2.565 0 40 GFAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c1 19569752 HWHAFWVCNSMBSX-MSOLQXFVSA-N 394.519 2.913 0 40 GFAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCOc3ccc4ccccc4c3)cc21 12428022 NQWJEXJLXOHJCQ-UHFFFAOYSA-N 398.440 2.642 0 40 GFAB CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)Nc1ccccc1C(C)C 10426251 OSAYRAZGTJAYFI-IBGZPJMESA-N 377.510 2.770 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 40154566 MTDCXAISIWFCRS-UHFFFAOYSA-N 387.459 2.531 0 40 GFAB COc1cccc(C2=NO[C@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c1OC 40267173 LKENLMVMXBESEI-FQEVSTJZSA-N 384.363 2.670 0 40 GFAB Cc1cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)ccc1N1CCCC1=O 11741441 RMLIDDNQTURHGB-AWEZNQCLSA-N 391.427 2.745 0 40 GFAB CN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccc2c(c1)OCCO2 21282645 WEEMCLVDMSGOSF-UHFFFAOYSA-N 386.429 2.934 0 40 GFAB CCCS(=O)(=O)[C@H](C)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 60323129 VGEIMMNCANTQBJ-CYBMUJFWSA-N 380.441 2.843 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 800632 IGMVRKRGBIAOEP-OAHLLOKOSA-N 382.416 2.620 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1 892133 YKAGXGPNRBBIIR-UHFFFAOYSA-N 385.449 2.800 0 40 GFAB CC(C)Cn1c(SCC(=O)NCCc2ccccc2)nc2ncccc2c1=O 32893348 WJTNXEYQLUMPEV-UHFFFAOYSA-N 396.516 2.899 0 40 GFAB CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 4043490 GOUMLHLYFWBNID-ATNYBXOESA-N 392.249 2.687 0 40 GFAB biogenic CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCc3ccco3)cc2c1 4132006 CHSWMLFACLPSBH-UHFFFAOYSA-N 399.516 2.943 0 40 GFAB CCc1ccc(NC(=O)COc2cccc([C@@H]3CC(=O)Nc4ncnn43)c2)cc1 6709167 AVXMVFZPNHIKAE-SFHVURJKSA-N 391.431 2.790 0 40 GFAB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccccc1F 7246485 COQUTXQLEMMSDA-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB OC1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1 57613933 AKCURMSTSRNDIK-IBGZPJMESA-N 383.883 2.921 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(CC(=O)O)cc2)[nH]1 10475531 WIOPOKXCEGFCOJ-UHFFFAOYSA-N 398.444 2.838 0 40 GFAB COc1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)ccc1OC(C)C 47286330 GZEMNPQCYGUHGB-UHFFFAOYSA-N 397.475 2.912 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 8748957 NAZWZOLHWSLRQH-LLVKDONJSA-N 384.807 2.600 0 40 GFAB c1ccc2c(c1)nc(NCc1ccc3c(c1)OCO3)n2CCN1CCOCC1 821039 ADRIUIQJYWHJOC-UHFFFAOYSA-N 380.448 2.709 0 40 GFAB COc1cc(C(=O)NC(=S)c2c(C)nc3sccn23)cc(OC)c1OC 12548781 VWOVZBFPRKRLBK-UHFFFAOYSA-N 391.474 2.836 0 40 GFAB CN(CCOC(=O)c1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21 1461776 ULFCCZBESRXBIN-UHFFFAOYSA-N 378.837 2.578 0 40 GFAB CCNc1nc2c(s1)[C@@H](c1cc(OC)c3c(c1OC)OCO3)CC(=O)N2 35324907 PUZMBMXMAIJLSQ-SECBINFHSA-N 377.422 2.795 0 40 GFAB O=C(CN1CCN(C(=O)CCC(=O)c2ccccc2)CC1)Nc1ccc(F)cc1 35380100 GCXXMPDQALOYME-UHFFFAOYSA-N 397.450 2.572 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2cccc(C)c2)CC1 57767379 SXGZJSNXMXUQBJ-UHFFFAOYSA-N 386.517 2.747 0 40 GFAB O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1cccc2ccccc12 2079618 QTYKTNCJDALYFH-UHFFFAOYSA-N 383.425 2.544 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 12604582 KKOAXGLJAOOTKK-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(N2CCCCC2)nc1 48252336 PWHZDTHVFAMWTF-UHFFFAOYSA-N 377.448 2.880 0 40 GFAB Cc1ccc(-n2nc(C(=O)N3CCC[C@H](C(=O)N(C)C)C3)c3c2CCC3)cc1 58155875 WOICBJDODCRUPW-INIZCTEOSA-N 380.492 2.610 0 40 GFAB CCOc1ccc2c(c1)CN(C(=O)NCc1ccc(-n3cccn3)nc1)CC2 58218505 BACIVUWMANGYJA-UHFFFAOYSA-N 377.448 2.934 0 40 GFAB O=C(OCC(=O)N1CCCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3342118 MHXWOYUHGGHXII-UHFFFAOYSA-N 397.475 2.682 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 25454117 FFAWIXYIXWBIFW-ZDUSSCGKSA-N 396.896 2.992 0 40 GFAB Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(NCCc2ccccc2)n1 36245296 RXPOBNPMHWYZIH-UHFFFAOYSA-N 376.464 2.790 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCn3nccc3C)c3cnn(C)c3n2)cc1 36616915 WBOAVSPYOPNRNI-UHFFFAOYSA-N 390.447 2.579 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC 3451980 YIXCNAHRNSFJRG-UHFFFAOYSA-N 387.388 2.711 0 40 GFAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(Cc2cccc3ccccc23)CC1 12908680 MPCQJSTXAWVZGG-UHFFFAOYSA-N 398.470 2.774 0 40 GFAB Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cnn1-c1ccccc1F 12924090 KOGVMVVQTDJZMC-UHFFFAOYSA-N 397.435 2.890 0 40 GFAB CC(C)OC(=O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 409186348 ASZAXLAJROSZQE-WQRHYEAKSA-N 394.452 2.787 0 40 GFAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 113945520 YLKVBPABAUYWTJ-IBGZPJMESA-N 390.505 2.946 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)COc3cccc(C)c3)CC2)c1 19235140 OQLWKNVGNHYAJJ-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB COC[C@H](C)n1c(SCc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 8943138 PZYPQZGKCZPQBM-ZDUSSCGKSA-N 383.473 2.995 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nc(SC)ncc2Br)cc1 8915232 YGZCIKCYVDXSKK-UHFFFAOYSA-N 382.239 3.000 0 40 GFAB COCCn1nc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)ccc1=O 49590153 MWNNXUWJHCLRCH-UHFFFAOYSA-N 390.871 2.786 0 40 GFAB CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 72275393 LAUXZCBUSAVPJP-UHFFFAOYSA-N 396.482 2.913 0 40 GFAB COC(=O)c1c(N[C@@](OC)(C(=O)OC)C(F)(F)F)sc2c1CCCC2 4653833 OORMECJSZFSIKV-CQSZACIVSA-N 381.372 2.903 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1Cl 6636007 IIHADMDIEFOBES-UHFFFAOYSA-N 396.852 2.614 0 40 GFAB O=c1nc2sccn2c2cc(Cl)c(S(=O)(=O)N3CCCCC3)cc12 4708988 ZIGZSQAUDYCYBP-UHFFFAOYSA-N 383.882 2.737 0 40 GFAB O=C(NCC1(c2ccccc2)CCC1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 14800892 YJLVKCBUXJYONN-UHFFFAOYSA-N 387.505 2.651 0 40 GFAB CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NC(=O)NC)n3C)cc2C1 5776322 GMRXBQOGUGMTPW-SNVBAGLBSA-N 393.538 2.606 0 40 GFAB CCN1CCC[C@H]1CNC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O 96115641 OGSOKNJLUWIKSP-INIZCTEOSA-N 386.492 2.952 0 40 GFAB biogenic COc1cccc(-n2nnc(C(=O)NCc3ccncc3)c2-c2ccncc2)c1 67261802 VKNISUZRDZZDDE-UHFFFAOYSA-N 386.415 2.663 0 40 GFAB CS(=O)(=O)Nc1ccccc1CNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 68398846 TXHNTNUPIJPXFX-KWOWKCNFSA-N 377.510 2.778 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7988385 FPSKPKPMTHYGHT-SFHVURJKSA-N 391.427 2.601 0 40 GFAB O=C(Nc1ccccc1)Nc1cccc2c1CCN(C[C@H](O)Cn1cccn1)C2 68860736 OOALVXNKUAFVFQ-IBGZPJMESA-N 391.475 2.946 0 40 GFAB COc1ccc2nnc(CCCC(=O)Nc3cccc(Br)c3)n2n1 72401265 WBNHIMFFPVCCHG-UHFFFAOYSA-N 390.241 2.857 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3[nH]nc(C)c3C)s2)CC1 9761342 ANPMTGMTTRUGAI-UHFFFAOYSA-N 397.522 2.719 0 40 GFAB c1cncc(-c2ccc3c([C@H]4CN(Cc5nccs5)CCO4)nnn3c2)c1 306142914 XOBKJFPFEGKGTJ-QGZVFWFLSA-N 378.461 2.821 0 40 GFAB COCCN1CCC[C@H](NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)C1 78557479 HPYABYHDBJKFSX-LBPRGKRZSA-N 398.472 2.688 0 40 GFAB Cc1cnc(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)cn1 95998491 UKRLIBJLKVNGKQ-HXUWFJFHSA-N 391.475 2.860 0 40 GFAB Cc1nc(NC[C@H](Cc2cnn(C)c2)C(N)=O)c2c(CC(C)C)csc2n1 89708950 BOPIEVUEKGOAEA-AWEZNQCLSA-N 386.525 2.688 0 40 GFAB COc1ccc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 32873842 PCZUWGGWMNQPPQ-UHFFFAOYSA-N 378.469 2.716 0 40 GFAB COCCn1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)cc21 524731180 MTPYPRWZACQCFT-UXPWSPDFSA-N 395.503 2.761 0 40 GFAB biogenic COc1ccc2cc(NC(=O)CCn3c(O)nc4ccccc4c3=O)cnc2c1 524733408 PJSZYLGNJBPMIT-UHFFFAOYSA-N 390.399 2.688 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cc1 38946998 YUISUKCJJFCDPP-MSOLQXFVSA-N 384.501 2.774 0 40 GFAB Cc1cc(C)n(CCCNC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36619514 QEWOHPZSNCZLPB-UHFFFAOYSA-N 393.426 2.564 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 33352752 WLIUZWVUOPRDGB-UPJWGTAASA-N 391.443 2.920 0 40 GFAB CNC(=O)c1ccc(OCc2cc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1 36360167 PYOOGEXHCGTKKC-UHFFFAOYSA-N 388.445 2.622 0 40 GFAB CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)N2CCCCC2)C1=O 72343097 LPRAXCUGEGUTBJ-DYESRHJHSA-N 398.459 2.878 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1OC 78403800 ZLXGUVXJROEPLE-ZDUSSCGKSA-N 376.478 2.581 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(N)=O)cc3c2)cc1 46058908 CRJPOKHDMGYJOU-UHFFFAOYSA-N 376.459 2.834 0 40 GFAB O=C(c1cc(Cc2ccccc2)[nH]n1)N1CCn2c(Cc3ccccc3)nnc2C1 570532694 XQJUZYJTNPJZQJ-UHFFFAOYSA-N 398.470 2.839 0 40 GFAB CCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 224463246 UOFAORHOWZIYTL-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB COc1cccc(-c2c3c(=O)n(-c4ccccn4)ccc3nc3nc(C)nn23)c1 40398523 VGHCHYXVFLSSDV-UHFFFAOYSA-N 384.399 2.807 0 40 GFAB Cc1cc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)sc1C(=O)O 45946132 OMCRYHIRWWTUKO-UHFFFAOYSA-N 380.451 2.881 0 40 GFAB CCN(CC)C(=O)[C@@H](C)NC(=O)/C=C/c1cc(Br)ccc1OC 40105166 OXXIMWWSXFZVTG-OFFHKIPUSA-N 383.286 2.844 0 40 GFAB CCc1ccc(NC(=O)N2CCn3nnc(COc4cccnc4)c3C2)cc1 96256027 GCHBGTREVRHQNG-UHFFFAOYSA-N 378.436 2.862 0 40 GFAB Cn1ccnc1[C@H]1C[C@@H](NC(=O)Nc2cnc(-c3ccccc3)nc2)CCO1 584155517 VCHYIIHYEJBAKB-DOTOQJQBSA-N 378.436 2.919 0 40 GFAB O=C(c1cc(-c2cn(-c3ccccn3)cn2)n2ccccc12)N1CCC[C@H](O)C1 96154937 NVTCYDJCAYGAOC-INIZCTEOSA-N 387.443 2.784 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)CCOc2ccccc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257246112 ISNSVEUOJLKRNP-RPUPUWCGSA-N 388.508 2.502 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCCc2nc(C)cs2)[C@@H]1c1ccccc1OC 257229197 FXCPAJIHOJCLIV-BEFAXECRSA-N 387.505 2.729 0 40 GFAB CCOc1ccccc1NC(=O)C(=O)NCC1CCN(c2ccnc(C)c2)CC1 253396536 DXJWBYBYWBJJCM-UHFFFAOYSA-N 396.491 2.760 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3cn(C)cn3)CC2)ncn1 257332498 XXNYNDFBIPJGTB-UHFFFAOYSA-N 380.452 2.577 0 40 GFAB CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1c1nccn1C 1615545890 CURNVQZLYXQSOY-NHCUHLMSSA-N 388.471 2.831 0 40 GFAB O=C(O)[C@@H](c1ccccc1F)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 656763303 MFVCAEGTEXKLFU-MAUKXSAKSA-N 392.452 2.858 0 40 GFAB COc1ccc(CN(C)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1F 57649675 QCITYKRMFMTLSF-UHFFFAOYSA-N 389.818 2.800 0 40 GFAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc3c2OCO3)cc1 68112754 VGPBPYLHKYPLDX-OAHLLOKOSA-N 386.429 2.578 0 40 GFAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCCCC3)nc2-c2cccs2)on1 72337012 QQEXQOZFHGNSRH-UHFFFAOYSA-N 384.461 2.948 0 40 GFAB Cc1ncc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)o1 1642431198 YEZOAWVQRWOKKW-UHFFFAOYSA-N 399.472 2.700 0 40 GFAB COc1cc(OC)c(-c2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)cc1OC 5461267 JZALFYQVYSMHDD-UHFFFAOYSA-N 398.448 2.757 0 40 GFAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1F 5881841 LCTMTSUNEHNLSV-UHFFFAOYSA-N 398.481 2.801 0 40 GFAB CCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581723 DMBMVPBHJOAMTR-UHFFFAOYSA-N 390.505 2.746 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CNCCc3ccc4c(c3)OCO4)cc12 13998847 MIEIFTPSABGWKF-UHFFFAOYSA-N 382.416 2.606 0 40 GFAB COc1cc2c(cc1CN[C@@H]1CCC(=O)N[C@H]1c1cc(F)cc(F)c1)OCO2 19550654 MUCVNJLEQJSMEV-QRWLVFNGSA-N 390.386 2.812 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1O2 19588450 AWFJVZITKCWKFM-AUUYWEPGSA-N 388.855 2.698 0 40 GFAB CCCC(=O)N(C)Cc1nc(NC)cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 19700847 JSTUEDAGFHCGGG-AWEZNQCLSA-N 399.470 2.936 0 40 GFAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)ncn2C1CC1 19714288 IWITZYCKCPBAMN-UHFFFAOYSA-N 387.436 2.714 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccccc1 19946074 NNNCIYKEKUYJDS-UHFFFAOYSA-N 383.267 2.854 0 40 GFAB COc1ccc(C)c2sc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nc12 1889151995 AYLSOHFMWRPCPL-LBPRGKRZSA-N 381.523 2.664 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)OCC(=O)c1ccc2c(c1)OCCCO2 27025054 VGQYJYCTCIFNML-UHFFFAOYSA-N 384.384 2.935 0 40 GFAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5195904 ABWIWUFREXSWNR-MRXNPFEDSA-N 387.867 2.996 0 40 GFAB COc1cccc(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)c1 11695864 KETJXUIUTZVIAB-UHFFFAOYSA-N 397.475 2.651 0 40 GFAB COc1ccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1OC 1775965800 IHTUGLOKVUHVNG-UHFFFAOYSA-N 383.448 2.615 0 40 GFAB CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O 23126930 FGXMFXSEUKIOQC-UHFFFAOYSA-N 380.379 2.982 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccc4)nn3C)CC2)no1 49027032 DQRFMIQTBQLXRT-UHFFFAOYSA-N 393.447 2.874 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cncc(-c2ccnn2C)c1 575617584 XNHZRYKKESCJHC-UHFFFAOYSA-N 392.868 2.623 0 40 GFAB O=C(Nc1ccc(N2CCN(c3nc4cnccc4s3)CC2)cn1)C1CC1 2298092182 CJGTZRCMQVYTRE-UHFFFAOYSA-N 380.477 2.761 0 40 GFAB CC(C)(C)c1cc(CCC(=O)OCCO)cc(-n2nc3ccccc3n2)c1O 142618765 XCTSUFSXBWQDBE-UHFFFAOYSA-N 383.448 2.892 0 40 GFAB Cc1nc(COc2ccc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc2)no1 40033452 YOEIGMNCBJMEQI-LJQANCHMSA-N 380.448 2.990 0 40 GFAB CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NC[C@H]2CCCc3ccccc32)c1 40059926 JHLFAXGKEBDQHM-MRXNPFEDSA-N 389.521 2.895 0 40 GFAB COc1ccc(OC)c2c1CN(Cc1nc(Cc3ccccc3)no1)C[C@H]2O 40120275 MIKLKIIPMMGPLS-MRXNPFEDSA-N 381.432 2.727 0 40 GFAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c(C)c1 40135451 RDYBGBAHKKZTBC-AWEZNQCLSA-N 395.506 2.560 0 40 GFAB CC(C)Cn1c(SCC(=O)Nc2nncs2)nnc1-c1cccnc1 20171534 PEMDURUEWRFMEG-UHFFFAOYSA-N 375.483 2.578 0 40 GFAB CCn1c(SCc2noc(CC(C)C)n2)nc2cc(S(N)(=O)=O)ccc21 31737579 KQBGXWHBYCMONN-UHFFFAOYSA-N 395.510 2.577 0 40 GFAB CC(C)[C@@H](C(=O)N1CC(=O)Nc2ccccc21)n1nnc(-c2cccc(F)c2)n1 31736794 RUAHZAWKRMSCIG-SFHVURJKSA-N 394.410 2.662 0 40 GFAB CC1CCN([C@@H](C)CNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 60156303 SEYRUVGKFFAWJO-MAUKXSAKSA-N 377.916 2.930 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1 21215096 IMFOKIGNSYXADS-UHFFFAOYSA-N 380.495 2.744 0 40 GFAB COc1ccc(Cc2cc3c(cc2OCC(=O)Nc2ncccn2)OCO3)cc1 1581558 QTYIQVCKDFDHOX-UHFFFAOYSA-N 393.399 2.822 0 40 GFAB CCOC(=O)C[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 102305400 QAILPQJSBBLECY-INIZCTEOSA-N 380.379 2.989 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O 6648225 SEGVUOLGYKKJAG-YBEGLDIGSA-N 392.477 2.965 0 40 GFAB O=C(Oc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680827 PMYVCSBXBSEXTJ-UHFFFAOYSA-N 387.866 2.642 0 40 GFAB CSc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1 7779473 FFMGFLUIFVLPMN-UHFFFAOYSA-N 382.536 2.827 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccccc1CN1CCCC1 8013136 RERRLSJDJSWHPB-UHFFFAOYSA-N 390.487 2.768 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 8037013 SINVINWAXRQPAF-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2)N2CCCN32)cc1 100568155 NSVJBXXWSGHFDE-AQNXPRMDSA-N 377.444 2.621 0 40 GFAB COc1ccnc(N2CCC(C(=O)NCCc3c[nH]c4cccc(C)c34)CC2)n1 103128646 JZYMEQJXZCCXPW-UHFFFAOYSA-N 393.491 2.850 0 40 GFAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1ccc(Br)cc1 22379300 RMGRUICOAJNPQX-SNVBAGLBSA-N 399.266 2.551 0 40 GFAB CC1(C)CC(=O)c2sc(NC(=O)CS(=O)(=O)Cc3ccccc3)nc2C1 815455 RTRVJFOECCLSHW-UHFFFAOYSA-N 392.502 2.852 0 40 GFAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl 23080333 VFPKJHIEBONEAT-SFHVURJKSA-N 377.916 2.708 0 40 GFAB C[C@@H]1CN(CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 23111032 YLOGEJDRTNFZAO-ZIAGYGMSSA-N 392.887 2.548 0 40 GFAB CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccncc1 983623 YBIKSZBKUKINLW-UHFFFAOYSA-N 383.477 2.777 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)OCC(=O)c1c[nH]c2ccccc12 23718087 ZEPPYZMOJBQQJB-UHFFFAOYSA-N 397.431 2.539 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 54727582 DKVLZXZOWOXPJU-OAHLLOKOSA-N 381.400 2.865 0 40 GFAB COc1ccc(N2C(=O)NC(=O)/C(=C(\C)N[C@H](C)c3ccccc3)C2=O)cc1 1295002 REUKBKNXAOCFEW-JGTOSJCVSA-N 379.416 2.903 0 40 GFAB CC[C@@H](Sc1nnc(N(C(C)=O)C2CC2)s1)C(=O)Nc1cc(C)on1 25180914 WTUUVSPGVGWKPW-LLVKDONJSA-N 381.483 2.859 0 40 GFAB C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CCCO1 43823649 QYKHPJVJRHCVDX-WFASDCNBSA-N 376.482 2.822 0 40 GFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(Cl)cc2)CC1 12567075 GEEQFKLHFSAKCV-UHFFFAOYSA-N 386.879 2.998 0 40 GFAB COc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC 27021542 SSULBTAEWFZHHN-JLDLUELGSA-N 391.452 2.886 0 40 GFAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CCN(c2ccccc2)CC1 12515398 BWXJSIDCMBRAFJ-JKSUJKDBSA-N 394.475 2.555 0 40 GFAB O=C(COC(=O)c1cccc(O)c1)Nc1cccc(I)c1 3295966 QSSBRMDLSPHPHI-UHFFFAOYSA-N 397.168 2.792 0 40 GFAB O=C(CN1CCc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3222056 XNNFBVLFCGWQLK-UHFFFAOYSA-N 399.516 2.862 0 40 GFAB C[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 2105980 BJJSPDHIKYCUPO-CHWSQXEVSA-N 381.384 2.817 0 40 GFAB biogenic CCOc1ccc(NC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1 58331302 ICAKAGOGDDOYDE-UHFFFAOYSA-N 396.491 2.946 0 40 GFAB CC(C)Cc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 36366330 ZNNLAOIPRBSPGZ-ZDUSSCGKSA-N 376.457 2.863 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)ccc1O 36392693 NXOJCHOQMOMIDH-UHFFFAOYSA-N 385.825 2.950 0 40 GFAB COc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(OC)c1OC 10900862 QBGFPOIJMGCZLT-UHFFFAOYSA-N 384.432 2.991 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 28514339 KETAJHKCKSRQHR-MRXNPFEDSA-N 381.432 2.503 0 40 GFAB COc1ccc([C@@H](NC(=O)Cc2cn3ccsc3n2)c2nccn2C)cc1 29132613 UTSQHCTUHVIIHJ-QGZVFWFLSA-N 381.461 2.586 0 40 GFAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3OCC)CC2)nc1 29292156 QWZDQMPVEXZXEM-UHFFFAOYSA-N 383.448 2.619 0 40 GFAB C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)c(F)c1 12891122 RHDGNKFPXSSVMT-GTJPDFRWSA-N 399.397 2.751 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(Nc2ncnc3sc4c(c23)CCC4)C1=O 3412591 RPWUYLWKQIGFTL-IBGZPJMESA-N 379.445 2.974 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC3CCCC3)CC2)c(C)c1 3440878 OYEKRZDOADCEOF-UHFFFAOYSA-N 396.578 2.812 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@@H]1CCCO1 12973008 FOSNMBLWBMCOEN-RISCZKNCSA-N 384.274 2.563 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)NC1=S 409201872 OJSFHWQJAXZQKY-BOPFTXTBSA-N 396.468 2.805 0 40 GFAB CC1CCN(c2ccc(NC(=O)COc3cccc(-n4cnnn4)c3)cc2)CC1 8562131 GGVVEBNGYHTWAK-UHFFFAOYSA-N 392.463 2.916 0 40 GFAB Cc1ccc(CS(=O)(=O)c2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)cc1 5157715 XKDLEUUIFZLTKH-LBPRGKRZSA-N 381.454 2.938 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c(OC)c1 4315104 TUDZQLPEKQORPA-UHFFFAOYSA-N 399.422 2.849 0 40 GFAB COCCNc1nnc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)s1 4485719 VCZQMAADLVATSR-UHFFFAOYSA-N 383.524 2.804 0 40 GFAB Cc1cnc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)cn1 6654066 AGMLWYWSXOQJMZ-KRWDZBQOSA-N 382.464 2.662 0 40 GFAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(c2ccc(F)cc2)CC1 6644137 YNTSRJHGKOUWMI-UHFFFAOYSA-N 380.423 2.657 0 40 GFAB Cc1ccc(OCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 5689156 IZWFNNWNRFCDCZ-UHFFFAOYSA-N 394.518 2.582 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CCOc4ccccc43)C(=O)[C@@H]2C)cc1 7922432 LVZPDPMUMYFCNP-YJBOKZPZSA-N 393.443 2.792 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)N(C)C)cc1 7997257 UIPZIZLEJQOBHK-KUHUBIRLSA-N 387.505 2.632 0 40 GFAB CN(Cc1ccc(Cl)nc1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005161 LZTHONBMCSFALT-MRXNPFEDSA-N 399.944 2.678 0 40 GFAB Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)s1 409160658 VNEQEQZHBSRMCF-UHFFFAOYSA-N 380.886 2.808 0 40 GFAB Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1NC(=O)c1ccco1 96585486 NZNYRQAYEABJBO-SFHVURJKSA-N 397.475 2.777 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC(F)F 84037417 BIGADBIRMVIQAA-RTXFEEFZSA-N 394.374 2.575 0 40 GFAB COc1ccc2c(C)c(CC(=O)NCCCn3cccc3)c(=O)oc2c1OC 72324956 XFJIXNZARNMTBD-UHFFFAOYSA-N 384.432 2.669 0 40 GFAB biogenic Cc1nc(COCC[C@@H]2CN(C(=O)N3CCCC3)Cc3ccnn32)cs1 306124360 BNLKREVRZAJOAA-QGZVFWFLSA-N 375.498 2.827 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccccc1OC 408677439 CUSAVDBPNRRZMW-GFCCVEGCSA-N 389.404 2.905 0 40 GFAB O=S(=O)(NCC1(CO)CCCCC1)c1cc(Br)ccc1F 95972944 CKAGHZSZMOCTLE-UHFFFAOYSA-N 380.279 2.809 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408587591 FEMYPUDSVJQOJM-HNNXBMFYSA-N 382.526 2.933 0 40 GFAB C[C@@H]1C[C@H](NC(=O)c2ccc3oc(N(C)C)nc3c2)C(=O)N1c1ccccc1 89920118 NUYBNGDGXJWWLC-DYVFJYSZSA-N 378.432 2.818 0 40 GFAB O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cnc2sccn2c1=O 28233848 NKNOYODYFMBIIU-UHFFFAOYSA-N 385.836 2.907 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl 408584544 RCJOKXVYTNVFLB-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cnc(C2CC2)nc1N 502100092 UUGKLVIZSGQXAV-UHFFFAOYSA-N 397.479 2.812 0 40 GFAB Cc1oc2ncn(C3CCCC3)c(=O)c2c1C(=O)Nc1ccc(C(N)=O)cc1 35672934 FUYNDIIISKCLLR-UHFFFAOYSA-N 380.404 2.764 0 40 GFAB O=C1CNC(=O)N1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 72414773 PQBAIAUBBXCUMF-QGZVFWFLSA-N 396.834 2.570 0 40 GFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(Br)cn1 31625456 PKYIYRNXCBUYGQ-UHFFFAOYSA-N 376.132 2.663 0 40 GFAB Cn1c(SCC(=O)c2cc(Cl)sc2Cl)nnc1N1CCOCC1 30979536 GKYSZHXUVYBPFV-UHFFFAOYSA-N 393.321 2.995 0 40 GFAB CC(C)CCNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 49545643 TUQSHYIEAVLEFP-UHFFFAOYSA-N 378.270 2.835 0 40 GFAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(SCC(=O)OC)s1 224858713 VGMBTJPVQOBOKH-NSHDSACASA-N 381.479 2.908 0 40 GFAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C)c1C 223719320 JSMTUCQIMRFJOS-RTBURBONSA-N 386.521 2.963 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1Cl 225500470 QJFLGEZZDQPEPH-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB Cc1ccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c(Cl)c1 225217923 GDNWRIPMRCJFKN-UHFFFAOYSA-N 390.944 2.547 0 40 GFAB CCc1nn2c(nnc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40388392 FZNGRDATQVZSMC-GOSISDBHSA-N 391.431 2.950 0 40 GFAB Cc1cc(C)c(OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C)c(C)c1 40157890 INNFBSYKEVCFSH-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CC(C)CNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225891666 WALKTBAXFOYAIQ-UHFFFAOYSA-N 392.573 2.636 0 40 GFAB Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-n4cccn4)c(C)c3)C2)n(C)n1 577481609 PVUBMQYMSIBNCQ-SFHVURJKSA-N 378.480 2.621 0 40 GFAB COCCn1c(C(=O)NCc2nnc3ccccn23)cc2cc(Cl)ccc21 95478175 KCMUFXJSHDUCRJ-UHFFFAOYSA-N 383.839 2.914 0 40 GFAB Cn1cc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)c2ccccc21 96269112 XNBWKVGPFSFXQK-LJQANCHMSA-N 375.476 2.695 0 40 GFAB biogenic,in-vitro Cc1cc2cc(NC(=O)N3CCC([C@@H]4OCCC[C@@H]4N)CC3)ccc2n(C)c1=O 580880720 KPMYNFNAJJFSIC-ICSRJNTNSA-N 398.507 2.597 0 40 GFAB Cc1nccc(C(=O)N2CCC[C@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)n1 257274020 NJFGPHOPUJEEBZ-MRXNPFEDSA-N 392.463 2.942 0 40 GFAB CC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(C)(C)C 616582546 BSDSXXVOXRYERA-MRXNPFEDSA-N 393.459 2.635 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CN(C)C[C@H]1c1ccccc1)CC2 623424947 LSEVEGWFLYTTKZ-VQTJNVASSA-N 380.488 2.934 0 40 GFAB CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)O)c2)CC1 635527043 ZBHIKUIIOVZSSP-HXUWFJFHSA-N 396.491 2.976 0 40 GFAB O=C(O)[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)F 647620884 JSXZJYPWAWQKNJ-GHMZBOCLSA-N 388.219 2.721 0 40 GFAB C[C@@H](c1ccc(NC(=O)c2ccc(OCC(=O)O)cc2)cc1)N1CCOCC1 659755550 HFWRZFSKCBDPCK-HNNXBMFYSA-N 384.432 2.796 0 40 GFAB O=C([C@@H]1COc2ccccc2C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414614 CPPVRXQQLYDMEI-MAUKXSAKSA-N 391.514 2.688 0 40 GFAB CCCN1CCN(C(=O)CNC)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585183551 ACGWLKDAMQJIKI-QFIPXVFZSA-N 393.531 2.813 0 40 GFAB O=S1(=O)N[C@H](C2CCN(Cc3nc4ccccc4[nH]3)CC2)Nc2ccccc21 12221922 RAJUFOXZTZLYMQ-HXUWFJFHSA-N 397.504 2.505 0 40 GFAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(C(=O)c2occ3ccccc23)C1 12253318 NJPQJHLDKKUIPM-LLVKDONJSA-N 391.474 2.708 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 13631852 DQWDMSSWXMHIAO-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1)S(C)(=O)=O 13711412 NGCIQHHFAOSFQJ-INIZCTEOSA-N 390.461 2.641 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC)ccc1OC 16681880 MBECWDTZOLHPPM-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 18164102 JUJRYFQPETYALS-HOTGVXAUSA-N 399.878 2.961 0 40 GFAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cn(C)cn1 19017583 NXZJPVZWVCBODC-HMXCVIKNSA-N 380.492 2.819 0 40 GFAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2cc(C(C)C)on2)C1 19452682 LCVQVJMHWVSSCS-OAQYLSRUSA-N 383.448 2.768 0 40 GFAB COCCC(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19593133 VBIVFQNZSCUQGK-NSHDSACASA-N 383.370 2.684 0 40 GFAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O 19701315 LYUAODDDMFSMFT-UHFFFAOYSA-N 398.551 2.693 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@H]3CCCC[C@H]32)C1 659196426 UPWNJZQGQDAVAE-IECFSIQFSA-N 378.513 2.763 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)c1C 19524008 DLDMALPYHRNCEL-AWEZNQCLSA-N 393.538 2.797 0 40 GFAB Cc1ncccc1C(=O)N1CCC(c2nc(C)c(C)c(N3CCOCC3)n2)CC1 19555289 IESFICOBNOMKEY-UHFFFAOYSA-N 395.507 2.653 0 40 GFAB Cc1nc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)ccc1F 1888890930 DYRNJPWIIAKPTG-HUUCEWRRSA-N 379.439 2.624 0 40 GFAB CC(C)n1nc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)ccc1=O 1888897812 ZNTIGABKZSPLRX-UHFFFAOYSA-N 377.448 2.787 0 40 GFAB CC(C)(C)c1ccc(OCC2CCN(C(=O)NC[C@@H]3CCCO3)CC2)nn1 1775995219 IXHMLVZUDILSMU-INIZCTEOSA-N 376.501 2.754 0 40 GFAB COc1cnc(O[C@H]2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)nc1 2087071607 ZAGZPUVCRAQXCM-AWEZNQCLSA-N 396.369 2.596 0 40 GFAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)nn1 5204178 XKOSPSNJYSRPKY-UHFFFAOYSA-N 399.428 2.724 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(Oc3ncc(F)cn3)CC2)cc1C 1775974562 JNPJVPBQDVLIJN-UHFFFAOYSA-N 395.456 2.555 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)N(CC)[C@@H](C)COC 40090052 ITOBGSYAQHQTJI-NSHDSACASA-N 380.304 2.893 0 40 GFAB CN(C(=O)CCNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)c1ccccc1 40121235 KKPZLOKVMLGHFA-LJQANCHMSA-N 385.508 2.727 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccnc1N1CCCCC1 40131310 BMCRNKPYIQPAEL-UHFFFAOYSA-N 394.519 2.834 0 40 GFAB COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)[nH]1 31652520 XXPDHFUKAJNPON-UHFFFAOYSA-N 383.448 2.501 0 40 GFAB CCOC(=O)c1cc(C(=O)Nc2sc(C)c(CC)c2C(=O)OC)n(C)n1 2798255 MGCHVCXYXHZPIR-UHFFFAOYSA-N 379.438 2.568 0 40 GFAB C[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(F)cc1F 102173171 WKKXYIOHVIYEOU-VIFPVBQESA-N 375.400 2.991 0 40 GFAB COc1ccc(C(=O)N2CCCC[C@@H]2C)cc1S(=O)(=O)NC1CCCC1 32968931 LSUXQMOVEZXRNS-AWEZNQCLSA-N 380.510 2.931 0 40 GFAB O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccccc1C(=O)NC1CC1 7506084 LYLFAEPPJULMDU-UHFFFAOYSA-N 388.807 2.733 0 40 GFAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)cc1 7580891 BHVIBVIBHWLJSI-UHFFFAOYSA-N 384.432 2.644 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1 7688833 RQWFDNNIBFKKJX-UHFFFAOYSA-N 382.482 2.996 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@H](C)CC(C)C[C@H]3C)=C2)cc1 103710467 HCQGFGHYLYPSCV-HZPDHXFCSA-N 389.521 2.894 0 40 GFAB O=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8139740 VCGROEUBVZNTBK-UHFFFAOYSA-N 395.484 2.624 0 40 GFAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)c(Cl)c1 8169476 IRXBCLUZVCOPBP-UHFFFAOYSA-N 384.860 2.922 0 40 GFAB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O[C@H](C)C(=O)O)C1=O 8571263 KFCOAPGMGXMNIC-WDGDVPDHSA-N 394.383 2.513 0 40 GFAB COc1cc(CC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 47416283 DZRLJRZKJYVCTD-IYBDPMFKSA-N 378.513 2.739 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2c1=O 8806777 QBGATFOBPAMMAA-JJRVBVJISA-N 385.464 2.657 0 40 GFAB C[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 941624 KWDALIPJKAGHCX-NSHDSACASA-N 386.791 2.506 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-n3cccn3)cc2)cc1 23865800 AHZQVTSHWJVYIC-QFIPXVFZSA-N 390.487 2.984 0 40 GFAB CSc1nnc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)s1 8914065 CCDLIQNHJMALPW-UHFFFAOYSA-N 379.854 2.712 0 40 GFAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ncccn5)CC4)[C@H]3C=C12 61999456 QMXFHCWSZYVELT-IDYNPRKMSA-N 396.535 2.913 0 40 GFAB biogenic O=C1CCCCN1c1cccc(CNS(=O)(=O)c2c(F)cccc2F)c1 57019878 RHCWNLWYMKVLCS-UHFFFAOYSA-N 380.416 2.960 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(Cc2coc(-c3cccs3)n2)CC1 35399963 SXTRCSDYNOJOGP-UHFFFAOYSA-N 395.531 2.971 0 40 GFAB COc1cccc(CCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 22326810 PELUUNXYBAIUPV-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COc1c([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc2c(c1OC)OCO2 35326231 CSCFQBKVWNPHMK-NSHDSACASA-N 395.367 2.715 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)Cn1cnc2ccccc2c1=O 3304959 QZLFJVPYBSDLIU-UHFFFAOYSA-N 375.384 2.612 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)cc1 35685075 JTLOHPXCEHLRKA-MRXNPFEDSA-N 393.378 2.960 0 40 GFAB Cc1ccnc(-n2c(S[C@H]3CCCCNC3=O)nc3ccccc3c2=O)c1 10193333 QNFCUKGWZSJHEA-INIZCTEOSA-N 380.473 2.850 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014409 FFFCLQNIVMMTCY-QAETUUGQSA-N 385.851 2.868 0 40 GFAB O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc(Br)c[nH]1 58292057 XYQWVOWGAVEPGV-UHFFFAOYSA-N 378.270 2.904 0 40 GFAB Cc1cc(C)c(OS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1 58370477 YIFXIXSJIGOQBX-UHFFFAOYSA-N 395.502 2.820 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 58381687 HBLWQLYYBFNKDT-JLHYYAGUSA-N 388.445 2.887 0 40 GFAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc(N2CCOCC2)n1 58329811 XEJFEURLMFBPEQ-UHFFFAOYSA-N 394.519 2.834 0 40 GFAB COc1ccc2cc(CNC(=O)c3cc(S(N)(=O)=O)ccc3C)ccc2c1 11126344 GXAIQNGBBSPPGK-UHFFFAOYSA-N 384.457 2.734 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CN(C)C[C@@H]1COc2ccccc2O1 11225116 YEUGRSQXGPJKSI-GOSISDBHSA-N 382.460 2.746 0 40 GFAB CCOC(=O)c1sc2ncn(C[C@H](O)c3ccccc3F)c(=O)c2c1C 28913937 YMKPOZJJGGILEP-ZDUSSCGKSA-N 376.409 2.816 0 40 GFAB O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)NC1CCCC1 11428395 RPCUEGRFNINTDY-UHFFFAOYSA-N 375.498 2.671 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nnc(Cc2ccccc2)s1 23687627 DKFJVVTZADGSNS-UHFFFAOYSA-N 377.429 2.547 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccccc2c1=O 11518822 KGKCEWZYPYJDFA-UHFFFAOYSA-N 378.816 2.634 0 40 GFAB COc1ccc(CC(=O)OCCCCN2C(=O)c3ccccc3C2=O)cc1OC 3421672 WPRQWRBABXOYDD-UHFFFAOYSA-N 397.427 2.866 0 40 GFAB CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 69177090 DVORYXGRAVHQMW-ZDUSSCGKSA-N 388.418 2.972 0 40 GFAB CC(C)Oc1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 4301985 NTIFFYQNCVYYGO-INIZCTEOSA-N 377.462 2.896 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)c1 4393289 NMPFJWNIAMWBKN-FDPKGLCPSA-N 377.437 2.638 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 5429229 SKOFPIHZNIGOAT-UHFFFAOYSA-N 398.459 2.507 0 40 GFAB CCOc1ccc(OCCOC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 6652812 FPZALDUHXQHJJN-UHFFFAOYSA-N 383.400 2.694 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C 17306098 MKEWFLLQLKFZJB-HNNXBMFYSA-N 395.463 2.875 0 40 GFAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2 8547040 QHOVPPFIFXDIDB-VIFPVBQESA-N 391.763 2.981 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)c(C)c2)nc1N 6804472 MOSITDMCGSQRLG-UHFFFAOYSA-N 380.857 2.928 0 40 GFAB Cc1cc(C)n2c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nnc2n1 7214983 JZSHEWGFDJMDNS-CYBMUJFWSA-N 396.476 2.597 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 7292923 NHIQEOQKKUQTDA-AWEZNQCLSA-N 376.416 2.710 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccccc1-n1ccnc1C 20035374 LTJLVSVQDLLGEQ-UHFFFAOYSA-N 398.488 2.791 0 40 GFAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 7726703 ZOSYOOTWASTBET-UHFFFAOYSA-N 388.445 2.631 0 40 GFAB CCCc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1 7713584 BMQXJUJTTAYERM-LBPRGKRZSA-N 386.477 2.578 0 40 GFAB Cc1cccn2c(=O)cc(CN(CC(=O)Nc3ccc(F)cc3)C(C)C)nc12 71090144 RNIARLZFGMAINK-UHFFFAOYSA-N 382.439 2.991 0 40 GFAB Cc1ccc(/C=C/C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)o1 9389976 TTWIUONLSWRLSV-VNDWYCCKSA-N 381.432 2.824 0 40 GFAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 72306673 MNBLGCCKAVSBDD-FQEVSTJZSA-N 398.488 2.569 0 40 GFAB C[C@]1(C2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)NC(=O)NC1=O 72306249 XIWCGQSOALFRTI-LJQANCHMSA-N 399.476 2.652 0 40 GFAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 79485001 PAEAPCROKBBQKB-UHFFFAOYSA-N 392.415 2.541 0 40 GFAB COc1cc(CNCCNCCO)ccc1OCc1ccc(F)cc1Cl 22074895 HJRUCJSFHCPSTO-UHFFFAOYSA-N 382.863 2.738 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1 24714056 LTTRPQOMDAIREM-UHFFFAOYSA-N 381.837 2.847 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408552303 LOVXEKKPZCHGHX-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 72384318 UYRSCZRZKZISNF-MRXNPFEDSA-N 390.443 2.906 0 40 GFAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1 217511191 IKQSQBMIZYPAMZ-UHFFFAOYSA-N 384.498 2.833 0 40 GFAB c1cc2c(cc1Cc1nn3c(CN4CCCCCC4)nnc3s1)OCCO2 71260617 ARSGFXPNSRATTR-UHFFFAOYSA-N 385.493 2.924 0 40 GFAB CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)N(Cc3ccccn3)C3CC3)cc21 72345845 IFNKHOFZYONSPJ-HXUWFJFHSA-N 385.489 2.558 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)Cc1ccccc1 223206427 MRYSGKPSRUKHMD-UHFFFAOYSA-N 384.567 2.630 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccc(F)cc1)S(C)(=O)=O 220346444 RYBKRARBWAIMOS-AWEZNQCLSA-N 394.468 2.614 0 40 GFAB O=C(O)c1[nH]c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CN1CCCCC1 222669513 OYIVIOUHHYXMPS-UHFFFAOYSA-N 398.246 2.517 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1Cl 225230346 WVSQHMKKXCBGQJ-UHFFFAOYSA-N 388.917 2.527 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)CC(=O)N4)n(C)n2)c1 77200722 LVVXTZIBZJRWLG-UHFFFAOYSA-N 392.415 2.851 0 40 GFAB CCOc1ccccc1NC(=O)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O 77099316 CFGBLBRXJMAGMN-UHFFFAOYSA-N 399.834 2.889 0 40 GFAB CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1 223019236 QBGKLFBNSAGLNK-UHFFFAOYSA-N 390.486 2.690 0 40 GFAB CN1CCN(C(=O)Cc2nsc3ccccc23)C[C@H]1c1nc(C2CC2)no1 576979677 KWEYRCHYIVXFRS-HNNXBMFYSA-N 383.477 2.615 0 40 GFAB CC(C)CCN1C[C@H]2CCN(C(=O)Nc3ccccc3)CC[C@H]2S1(=O)=O 96145565 QRYOAOOWPDRVRJ-SJLPKXTDSA-N 379.526 2.991 0 40 GFAB COC[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CN1c1ncccn1 96051809 STUGPBLRTFENMN-LJQANCHMSA-N 382.508 2.993 0 40 GFAB C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 243341051 LSWNLDKPKACJNA-GFCCVEGCSA-N 397.294 2.605 0 40 GFAB C[C@]12CCCN(C(=O)c3cc(O)nc(-c4ccccc4)n3)[C@H]1CCCC(=O)N2 257206867 BFGGDWAAWNTPRY-KKSFZXQISA-N 380.448 2.513 0 40 GFAB Cc1cc(-c2nc(C)c(C)s2)nc(CC2CCN(S(C)(=O)=O)CC2)n1 257252734 JVYQGSRDEVXNLV-UHFFFAOYSA-N 380.539 2.739 0 40 GFAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COCc1nc2ccccc2[nH]1 257229161 FWXHRPQHNGETQY-TUXJCPBXSA-N 382.508 2.943 0 40 GFAB Cc1ncc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)c(C)n1 257312962 UQKZBDGXXZEYKP-IYARVYRRSA-N 398.555 2.935 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)NC2)nn1-c1ccc(Cl)c(Cl)c1 657216072 VQMOCPULUSTOHO-QMTHXVAHSA-N 397.262 2.879 0 40 GFAB C[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@H](N)[C@H](O)CC(=O)O 94568706 NMCBHZITLTYUHZ-SZFUDVHCSA-N 397.471 2.921 0 40 GFAB O=C(Cc1cccc(C(F)(F)F)c1)NCCn1ccnc1-c1cnccn1 575609579 NFRLFPLGCZRCKB-UHFFFAOYSA-N 375.354 2.718 0 40 GFAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1csc(CC(=O)OC(C)C)n1 106755747 XUPGOTOJGGVQEP-KBMXLJTQSA-N 380.510 2.943 0 40 GFAB O=C(COc1cccc(F)c1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615120392 KQWUWMMNUIQEPR-UHFFFAOYSA-N 398.434 2.629 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 5026363 OYXIOTIKFZKKHK-UHFFFAOYSA-N 386.473 2.775 0 40 GFAB COc1ccccc1C(=O)N[C@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O 5450873 XTYNQPYNRANPFH-KRWDZBQOSA-N 390.321 2.799 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ncc(Cc2ccccc2)s1 12924313 LAPFIXDHNKLNPV-UHFFFAOYSA-N 393.476 2.552 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)NC(C)C 13677617 BYHNMNJFGKIEEY-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccccc1)S(C)(=O)=O 13711088 WVLGLBMSYXQTRF-QGZVFWFLSA-N 392.477 2.887 0 40 GFAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)N(C)C)c1 15220790 UZUNAIWPNFHTMQ-UHFFFAOYSA-N 379.416 2.793 0 40 GFAB Cc1cc(O)n2nc(CC(=O)Nc3ccccc3CN3CCCCCC3)nc2n1 19117390 SCLKFUZCXRFPHP-UHFFFAOYSA-N 394.479 2.696 0 40 GFAB CC1CCN(c2ncc(C(=O)NC3CCN(Cc4cccnc4)CC3)cn2)CC1 19497086 BXFCOHOVSWVDKN-UHFFFAOYSA-N 394.523 2.502 0 40 GFAB Cc1c(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cnn1C 19553223 HSGSGPYNZAEJML-UHFFFAOYSA-N 383.477 2.560 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19687653 CMSMEOZQHNQXSB-HXUWFJFHSA-N 378.407 2.820 0 40 GFAB COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)c2ccccn2)cc1 19712116 JNCVMBPRPQVMIT-JRGCBEDISA-N 393.487 2.975 0 40 GFAB CN(C)C(=O)CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19831802 QOTKQHGTCCZYBA-UHFFFAOYSA-N 379.504 2.789 0 40 GFAB COc1ccccc1CCC(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791932 HNSUKDZTNQVBHA-UHFFFAOYSA-N 380.492 2.645 0 40 GFAB O=C(N1CC(Cn2cc(Br)cn2)C1)C1(c2ccc(F)cc2)CC1 1888890137 WLTGLVMWISYESM-UHFFFAOYSA-N 378.245 2.975 0 40 GFAB O=C(c1ccc2nccnc2c1)N1CCC(COc2ccc3nccn3n2)CC1 1888926439 XJAMSRNFFZWUDK-UHFFFAOYSA-N 388.431 2.604 0 40 GFAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N(C)CC(=O)NC1CC1 29916488 AKNQJQHUGQKTDS-UHFFFAOYSA-N 392.912 2.663 0 40 GFAB COc1ccc(-c2ccc(S(=O)(=O)N3CCC(n4nccn4)CC3)cc2)cc1 238929664 UYQVRWMNZICFMZ-UHFFFAOYSA-N 398.488 2.980 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037840108 HGTATQALCDCMLI-UHFFFAOYSA-N 380.444 2.733 0 40 GFAB O=C(CCc1cccnc1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985680 RYLZYQCURZMVIP-QHCPKHFHSA-N 393.487 2.829 0 40 GFAB CCc1ccc(C(=O)N2CCC3(CC2)CN(Cc2nccs2)CCO3)cn1 1565549176 QWNXSLMETNURQN-UHFFFAOYSA-N 386.521 2.608 0 40 GFAB O=C1C[C@]2(COCCN(c3ncnc4ccccc34)C2)CN1Cc1ccccc1 1565541796 DETIJHIQGHAFQX-HSZRJFAPSA-N 388.471 2.885 0 40 GFAB COc1ccc(-c2noc(-c3nnn(-c4cc(OC)cc(OC)c4)c3N)n2)cc1 5043183 IKBPGDDTXYFDGY-UHFFFAOYSA-N 394.391 2.592 0 40 GFAB CCCCn1c(=O)n(CCc2ccc(OC)c(OC)c2)c(=O)c2ncccc21 9843836 IVDPMRNSMRPOQD-UHFFFAOYSA-N 383.448 2.618 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCNC(=O)[C@H](C)Oc3ccccc3F)n2)cc1 13603094 YUVVNXOYPIDUPT-INIZCTEOSA-N 395.434 2.942 0 40 GFAB NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 15880969 GDAFLAXTRQDVIZ-UHFFFAOYSA-N 380.429 2.676 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)cn1 1775972989 AMHRWJFPQVBEOX-UHFFFAOYSA-N 390.443 2.790 0 40 GFAB O=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(Oc2ncccn2)cc1 211101377 RDOWLPKIIAKIHZ-UHFFFAOYSA-N 390.447 2.979 0 40 GFAB O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)Nc1ccc(F)c(Cl)c1 49009316 DAKJTDCHEARNNM-UHFFFAOYSA-N 397.797 2.989 0 40 GFAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)c1 35425095 MCKBTZKBYNYMTD-SFHVURJKSA-N 381.436 2.889 0 40 GFAB biogenic,in-vitro Cc1cc(CS(=O)(=O)Cc2cc3c(cc2Br)OCCO3)no1 40106088 DIAIMCQAITWNPO-UHFFFAOYSA-N 388.239 2.632 0 40 GFAB CN1C(=O)[C@@](O)(CC(=O)[C@H]2CCc3ccccc3C2=O)c2cc(Cl)ccc21 101309605 JPARBIBNMJGEIY-QVKFZJNVSA-N 383.831 2.909 0 40 GFAB Cc1cn2nc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)sc2n1 52088544 CQWLIDFCFNKANN-UHFFFAOYSA-N 379.848 2.854 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2cnn(-c3ccccc3)c2)N(C)C)cc1 60321548 KBWIDYOWEHWTFQ-FQEVSTJZSA-N 384.505 2.762 0 40 GFAB O=C(CC1CCCC1)NCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 102384841 ZVOLBCYYDWARMI-UHFFFAOYSA-N 397.479 2.534 0 40 GFAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c(OC)c1OC 3544650 SAZBWWBNXZKNCU-ZDUSSCGKSA-N 385.416 2.847 0 40 GFAB Cc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@]3(C)C[C@H]2c2ccccc2O3)cc1 4077024 ZLVLCDILEFVYCR-JLMWRMLUSA-N 380.444 2.667 0 40 GFAB O=C(C1CCN(c2ccc3cccc(O)c3n2)CC1)N1CC[C@H](N2CCCC2)C1 102899857 LGBBNQAOVXZHGT-IBGZPJMESA-N 394.519 2.854 0 40 GFAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(=O)[nH]c2ccccc12 22024352 AEWAJJRIMUJQGE-UHFFFAOYSA-N 387.321 2.520 0 40 GFAB COc1ccc(-c2noc(CCC(=O)N[C@H]3COc4ccccc4C3)n2)cc1 53045153 BANGYNHZCARNPZ-MRXNPFEDSA-N 379.416 2.798 0 40 GFAB CCNC(=O)c1cccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)c1 42929454 RFJYRTYSBZECDM-UHFFFAOYSA-N 394.519 2.900 0 40 GFAB NC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 24668592 HMUWFPQBQMCIJU-CQSZACIVSA-N 378.432 2.745 0 40 GFAB CSc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 12525847 INSHAOPJIZMENE-UHFFFAOYSA-N 375.479 2.802 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c1 106670756 OTEOXSKZUXVPEJ-CYBMUJFWSA-N 378.881 2.752 0 40 GFAB CCC(CC)[C@@H](CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1 26307638 COEMPKOASKKYJZ-OAQYLSRUSA-N 388.556 2.655 0 40 GFAB COc1ccc(OC)c(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)c1 26533830 NCRQYTUGHOIFBE-GZTJUZNOSA-N 379.441 2.691 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)N(CC)Cc2ccccc2)c1=O 57478873 PBKYANCPNOGMPU-UHFFFAOYSA-N 385.489 2.683 0 40 GFAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10315145 QDBJQCPYIWCFOD-UHFFFAOYSA-N 389.477 2.696 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)o3)C2=O)c(Cl)c1 58179942 CQCHGIRSLWHQDD-SFHVURJKSA-N 375.812 2.956 0 40 GFAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2111998 PCCSQTIJPCBNTJ-OPAMFIHVSA-N 385.460 2.942 0 40 GFAB biogenic Cc1nccn1-c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cn1 58391778 KQLKEJNCXDBBPJ-SFHVURJKSA-N 389.459 2.605 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CNc2cc3c(cc2Cl)OCCO3)cc1 10940714 UANAZZOJYMOZET-UHFFFAOYSA-N 396.852 2.565 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 48303002 JBQWWLCYJIOMLR-MRXNPFEDSA-N 388.489 2.636 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2c(c1)nnn2CC 29232545 REBMAPZLWVQNLH-UHFFFAOYSA-N 381.436 2.561 0 40 GFAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C)s2)n1 3411158 UAYIZGHVILZMEH-UHFFFAOYSA-N 377.451 2.712 0 40 GFAB O=C1c2ccccc2C(=O)N1CCSCCC(=O)N1CCc2ccccc21 13015995 CDWOKEUPMWZIEW-UHFFFAOYSA-N 380.469 2.995 0 40 GFAB CONC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8768060 OQYWDHPCNXNEFO-SNVBAGLBSA-N 375.475 2.951 0 40 GFAB CCC(CC)NC(=O)c1cc(S(=O)(=O)N(C)OC)ccc1Br 8777328 ZLIZFLJNMGYUTE-UHFFFAOYSA-N 393.303 2.549 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 5399349 LWESXQSMEUKELQ-UHFFFAOYSA-N 395.390 2.865 0 40 GFAB O=C(COC(=O)Cc1ccsc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 6423582 OHWKVTNDQMCLSR-UHFFFAOYSA-N 376.478 2.628 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCCC2)cc1 408596241 RVJXDMWKVJJLMS-HNNXBMFYSA-N 382.526 2.981 0 40 GFAB COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1Cl 6788813 PWVRZLKCTXSGPM-UHFFFAOYSA-N 382.825 2.653 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1C 8520885 KZHVNPINTPEIMJ-OAHLLOKOSA-N 399.559 2.743 0 40 GFAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)NC1CCCCCC1 6882203 UMTZPKWLRKIMFG-UHFFFAOYSA-N 381.494 2.652 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccsc4)C[C@@H]2S3(=O)=O)cn1 306124592 BTZKUSIZPJZWOB-HKUYNNGSSA-N 385.514 2.904 0 40 GFAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)C3=COCCO3)c2C)cc1 5894979 MRYVYXNUDMKAHT-UHFFFAOYSA-N 399.443 2.970 0 40 GFAB Cc1cc2oc(=O)cc(COC(=O)C[C@@H]3CCS(=O)(=O)C3)c2cc1Cl 7630519 HWLKLAQNCJIJFZ-NSHDSACASA-N 384.837 2.623 0 40 GFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)OC 7653872 BDRHGPTYCFJJIG-UHFFFAOYSA-N 380.422 2.806 0 40 GFAB COc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c1 16424754 XUWGGYTYELYVFW-KRWDZBQOSA-N 383.492 2.991 0 40 GFAB CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(C2CCCCC2)c1=O 9109813 ZBLJAWYRFUBQCP-LJQANCHMSA-N 394.475 2.806 0 40 GFAB biogenic CCN(CCCN1CCN(C(=O)c2cc(C)oc2C)CC1)CC(F)(F)F 96012937 SJUPSUXSJAQSLB-UHFFFAOYSA-N 375.435 2.929 0 40 GFAB O=c1c2ccc(F)cc2ncn1C[C@@H](O)COc1cccc(Br)c1 9690513 LBARKTXCLZTPKE-CYBMUJFWSA-N 393.212 2.738 0 40 GFAB C[C@@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1)N1CCCCC1 72427668 FFKGSBWMZKGXAX-HNNXBMFYSA-N 376.478 2.717 0 40 GFAB CCc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cccnc3Cl)C2=O)c1 95419341 DQNYAONGLHEXSV-LJQANCHMSA-N 386.839 2.703 0 40 GFAB O=C(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)c1cccnc1N1CCCC1 95998159 XLXXPUNYXUNGKF-QGZVFWFLSA-N 388.475 2.685 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2ccc3c(c2)OCO3)c1 9906004 YCVXLOANJVGBJE-UHFFFAOYSA-N 381.432 2.686 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCN(c2nc(C)c(C)s2)CC1 89623548 KSCYZSHNTANZJW-UHFFFAOYSA-N 375.494 2.805 0 40 GFAB Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 31108801 QSMHUBIERYANLP-KRWDZBQOSA-N 390.480 2.851 0 40 GFAB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(Cl)c2)NC1=S 409083798 VRIMYVPOBLQOHL-LCYFTJDESA-N 382.869 2.750 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Oc2cc(OC)ccc2C(C)=O)c1 32770545 IVJVAHACARVMNZ-UHFFFAOYSA-N 378.402 2.761 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1556945940 CUURSLWPVCUWKE-BOFPYLFWSA-N 397.393 2.992 0 40 GFAB COc1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)N3CCCC3)C2)c1 72358554 CLFLFKGBJDAPDR-SFHVURJKSA-N 380.492 2.954 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2)Oc2ccc(Cl)cc21 38849312 BQWRCFCZWBUOTC-OAHLLOKOSA-N 384.816 2.645 0 40 GFAB O=c1nc2n(Cc3c(F)cccc3Cl)cccc-2c(=O)n1Cc1ccncc1 32641532 ZIOZZVWTKQUJNR-UHFFFAOYSA-N 396.809 2.794 0 40 GFAB COc1cccc(CN2C[C@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 72343005 VAVFHSYGOBHXAC-PERKRYKHSA-N 399.491 2.622 0 40 GFAB O=C(/C=C\c1ccc(O)cc1)NCCCCNC(=O)/C=C\c1ccc(O)cc1 35465994 PYVBFDCHJDMSMM-PVRNWPCDSA-N 380.444 2.837 0 40 GFAB biogenic,in-vitro O=C(Cn1cc(-c2ccccc2)ncc1=O)N1CCO[C@@H](c2ccccc2)C1 72404346 CCQOZVGXJHLRSY-HXUWFJFHSA-N 375.428 2.510 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)COc3ccccc3C)CC2)c1 30109005 FAHPCFOJKKYVSA-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB O=C(O)CCCCCN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217372044 KHAQEDAYPIDHTO-OAHLLOKOSA-N 387.885 2.614 0 40 GFAB O=C(NCc1ccc(Cl)cc1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225637635 NBYZIKZPBFHLHT-INIZCTEOSA-N 387.823 2.859 0 40 GFAB Cc1cccc(CNC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225948321 DSKBFJLPDKDKFQ-KRWDZBQOSA-N 380.897 2.945 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=S)Nc1ccc(F)cc1 225460090 PDGCDDJXUVFAIQ-UHFFFAOYSA-N 379.482 2.836 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NCc1cccnc1-c1ccncc1 225749549 FEERGRLGXFAJIG-UHFFFAOYSA-N 385.427 2.560 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)NC(C)C)CC3)c12 223204613 RMQHKFMANMGFQU-UHFFFAOYSA-N 383.496 2.531 0 40 GFAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 226856383 RXQONHONQQCPGU-LBPRGKRZSA-N 376.906 2.827 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)c1 225926575 UDCBUZQWQNUAMS-UHFFFAOYSA-N 396.553 2.635 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2cccnc2)s1)c1ccc(Cl)cc1 222567789 AQYXMDCKRBARCA-UHFFFAOYSA-N 395.853 2.640 0 40 GFAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc2[nH]ccc12 96115664 ATJURXODROXAOF-SFHVURJKSA-N 376.416 2.660 0 40 GFAB biogenic C[C@@H]1CCCN(c2ncc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cn2)C1 248111995 HRUKHVXYNJYJHI-XLIONFOSSA-N 379.508 2.842 0 40 GFAB Cc1nc2ccc(C(=O)N3CCC[C@H](CC(=O)NCC4CCOCC4)C3)cc2[nH]1 257286464 PLRDSJQFHZINFN-QGZVFWFLSA-N 398.507 2.656 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(C)cc2)Oc2ccccc21 250241019 LFCYBIGAQQQONH-DNVCBOLYSA-N 388.489 2.790 0 40 GFAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N=c1cc2n([nH]1)CCCC2 585082557 IJAMMWCXDMGGCO-LJQANCHMSA-N 380.492 2.579 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)Cn2c(C(C)C)nc3ccccc32)[C@H]1O 257308422 TWQUNWBGZGFUQQ-YFVAEKQCSA-N 395.507 2.936 0 40 GFAB C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc(OCC(F)(F)F)nc1)C[C@@H](C)O2 684114841 OBGMTQLLKFHAKM-BFQNTYOBSA-N 389.374 2.823 0 40 GFAB CC(C)Oc1cncc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1 653961182 RSXZHDXWTAVAAB-UHFFFAOYSA-N 375.816 2.699 0 40 GFAB CSc1cccc(NC(=O)C(=O)NC[C@@H](OCCO)c2ccc(C)cc2)c1 96338266 PZGMTKNWFXVZER-GOSISDBHSA-N 388.489 2.522 0 40 GFAB O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)N[C@@H](C1CC1)[C@@H]1CCCCO1 585090957 FCUJSFZXOYWUMM-HOCLYGCPSA-N 391.434 2.577 0 40 GFAB CN1C(=O)CN(CC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)C1=O 585123518 ZUCHBRGSGLVBCU-GOSISDBHSA-N 397.862 2.860 0 40 GFAB Cc1ccc(CC(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 1615154023 DETVLKPMIITCHD-HSZRJFAPSA-N 378.472 2.962 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NCC2(c3ccsc3)CCOCC2)cc1 952989429 DUOQCEGKXZSMSY-UHFFFAOYSA-N 395.502 2.561 0 40 GFAB CCCCN(Cc1ccccc1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422784 VWFXUGYAFPDPGL-UHFFFAOYSA-N 385.489 2.741 0 40 GFAB O=C(N/C(=C\c1ccc(O)cc1)C(=O)N1CCOCC1)c1ccccc1Cl 13400891 FZFLHLIAJNPAHN-AQTBWJFISA-N 386.835 2.675 0 40 GFAB COC(=O)c1ccccc1NC(=O)C[C@@H]1CSc2nc(C(C)C)cc(=O)n21 14033915 LAXJOTYQKRYSHD-GFCCVEGCSA-N 387.461 2.829 0 40 GFAB COC(=O)c1sc2nc(CN(C)Cc3ccc(OC)cc3)[nH]c(=O)c2c1C 16554358 UQRPSXILOLRMIL-UHFFFAOYSA-N 387.461 2.720 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 19239224 YNYDYTGOAUXGAD-UHFFFAOYSA-N 393.447 2.792 0 40 GFAB O=C(CCc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19348601 HATIKASRGHPWIK-QGZVFWFLSA-N 392.434 2.920 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCCO3)nn1C 19709118 KIDUNZAWIBOYKG-SFHVURJKSA-N 384.480 2.620 0 40 GFAB CCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C3 19816595 OTLSZHCLYNSNDW-NSHDSACASA-N 382.420 2.625 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nnc(C)[nH]3)c(=O)c2c1-c1cccc(C)c1 19821630 CBEMYNDDXZHKIH-UHFFFAOYSA-N 389.415 2.883 0 40 GFAB O=C(NCCc1c[nH]c2cc(Cl)ccc12)N1CCC[C@H]1CN1CCOCC1 608657214 HMBFWKOCNZALBH-KRWDZBQOSA-N 390.915 2.870 0 40 GFAB COc1cccc(CC(=O)N2CC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1 12745408 LIFUQAHJOHCISZ-MRXNPFEDSA-N 380.448 2.619 0 40 GFAB O=S(=O)(N[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1)C1CC1 1889145778 RTUGRAVQVPLKBJ-ZDUSSCGKSA-N 378.416 2.631 0 40 GFAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccccc1OC(F)(F)F 31669005 LFHPFQGQJJGYEG-UHFFFAOYSA-N 388.367 2.656 0 40 GFAB Cc1nc2ncnn2c(N2CC[C@H](Oc3ccncc3Br)C2)c1C 1776009379 XWVJNDCMOCGSQK-LBPRGKRZSA-N 389.257 2.556 0 40 GFAB COc1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@@H](c3ncon3)C2)c1 238859843 KLNSLCDGFPRJDD-ROUUACIJSA-N 385.445 2.650 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840794 RDJONJAFOIQAIJ-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1 2459464 XTJZJKSNRAHGQW-UHFFFAOYSA-N 387.530 2.904 0 40 GFAB COc1ccc(CCNC(=O)CSc2ccc(-c3ccncc3)nn2)cc1 4358257 ZNEVLUFYOLSDQI-UHFFFAOYSA-N 380.473 2.998 0 40 GFAB CC1(C)CN2C(=O)[C@@](NC(=O)c3ccccc3F)(C(F)(F)F)N=C2S1 4751710 RTMFEBDXGRPLPK-AWEZNQCLSA-N 375.347 2.538 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)c(OC)c1 5375494 VAPGUYQNSVIQSM-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB C[C@@H]1CCCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)C1 5412699 VEWHTYHBWDLVLA-GFCCVEGCSA-N 388.468 2.955 0 40 GFAB COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1OC 9038951 JSJONDURYHQNDQ-MRXNPFEDSA-N 383.448 2.556 0 40 GFAB COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2ncccn2)cc1=O 10254877 NCZKOUJWIYTEGP-UHFFFAOYSA-N 396.472 2.886 0 40 GFAB Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c1 12440056 NDXQWJHEKBQDDJ-UHFFFAOYSA-N 382.445 2.882 0 40 GFAB CC(C)c1ccc(OCC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1 17113680 XFFGRBIRUYMUDO-UHFFFAOYSA-N 387.390 2.759 0 40 GFAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1cccc(Cl)c1 22767260 LRXRFAMIUWRSCB-MRXNPFEDSA-N 386.926 2.753 0 40 GFAB Cc1cccc(OC[C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 1775970971 KZVWWQJOXAQYMP-MRXNPFEDSA-N 381.432 2.616 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1cccs1)N1CCOCC1 23107860 LRHHMMIVGDLVTN-OAHLLOKOSA-N 384.498 2.547 0 40 GFAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C(=O)Nc1ccc(F)c(F)c1 206687547 QOBISKXXZFJORS-INIZCTEOSA-N 392.383 2.956 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)c3sc(-n4cccc4)nc3C)C2)cc(=O)o1 206966664 GUMZYWFZZQNVOL-AWEZNQCLSA-N 385.445 2.797 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCc2cncc(N3CCCC3=O)c2)n[nH]1 618257575 XYLQLOZSUFVEFI-UHFFFAOYSA-N 391.431 2.537 0 40 GFAB O=C(CSCc1ccccc1)N1CCN(C[C@H](O)c2cccs2)CC1 49031327 CEFITWZNFMHPBP-KRWDZBQOSA-N 376.547 2.859 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40312452 DRIXRGOFTAVZKS-OAQYLSRUSA-N 393.399 2.643 0 40 GFAB biogenic CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1 31532419 VCUSISCBKFCMIZ-UHFFFAOYSA-N 399.516 2.991 0 40 GFAB O=C(NCCc1ccc(O)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32124460 QXGCELQNCCVYTR-UHFFFAOYSA-N 377.444 2.801 0 40 GFAB biogenic Cc1c(CCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc(O)ccc12 11865405 DJSBYOCVGPTSDU-GOSISDBHSA-N 395.411 2.552 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2648309 XRQRULFJZLKVPI-OAHLLOKOSA-N 384.407 2.923 0 40 GFAB COc1cc2c(cc1OC)-n1c(S(=O)(=O)Nc3ccc(C)cc3)cnc1C2 32611952 DIWOTIDFGZYZGV-UHFFFAOYSA-N 385.445 2.903 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2nc3ccccc3[nH]2)c1 2629829 QCWADDKQLSBOMN-UHFFFAOYSA-N 379.449 2.886 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nnc(C2CCCCC2)s1 102115002 DTEHCKUCHYNKHI-KBPBESRZSA-N 388.493 2.866 0 40 GFAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC[C@@H]1CCCO1 1067072 IILQGLAKGBMSTK-KRWDZBQOSA-N 396.516 2.946 0 40 GFAB CC(C)N(C(=O)CSc1nnc(CSc2ncccn2)n1C)C(C)C 1325601 KROJBJRWKQNCOG-UHFFFAOYSA-N 380.543 2.635 0 40 GFAB O=C(CCSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC1CCCCC1 32871197 GPTOYYLJXUFLSC-UHFFFAOYSA-N 397.566 2.797 0 40 GFAB O=C(C1[C@H]2CCCC[C@H]12)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 100151380 HLDQBCFPGWKEDS-CAEXGNQWSA-N 379.455 2.943 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1C(=O)N(CCO)[C@]2(C)C[C@@H]1c1ccccc1O2 100843148 KVCMLNPUHGIRPP-WVBUVRCRSA-N 380.444 2.667 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)NC2CCCCCCC2)Oc2ccccc21 10009249 ZBQRQWGMJLBVCW-SFHVURJKSA-N 380.510 2.833 0 40 GFAB Cc1ccccc1CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 8371058 XEGDSKQDFMJADH-UHFFFAOYSA-N 375.354 2.984 0 40 GFAB CC(=O)N(C)c1nc(COC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cs1 103806071 HWYYDWQBIPYQRR-CXTCDGGRSA-N 378.494 2.890 0 40 GFAB COc1cccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)c1 17794838 LGBXORQZFOEATG-HXUWFJFHSA-N 381.476 2.855 0 40 GFAB COc1ccc(OC)c(NC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 100628997 CMIZLCIYFQYSGJ-ZIAGYGMSSA-N 385.489 2.682 0 40 GFAB CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2C1=O 1010665 DQLRUPJTLJOCQX-UHFFFAOYSA-N 396.399 2.797 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3261976 WGFDEGZPRNLXSI-UHFFFAOYSA-N 396.230 2.609 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12627968 PXKGTXPFBGOXSH-SFHVURJKSA-N 398.488 2.791 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)c1ccc(NC(=O)c2ccncc2)cc1 58065476 SQFFUFPEZGXJEG-UHFFFAOYSA-N 398.426 2.845 0 40 GFAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 58010627 QGXPDSBNXUPMAA-ZFWWWQNUSA-N 385.365 2.705 0 40 GFAB Cc1ccc([C@@H](CNC(=O)CCc2nc(-c3cccnc3)no2)N(C)C)cc1 58181806 MZUHTBHBHBZFPY-GOSISDBHSA-N 379.464 2.792 0 40 GFAB CC1(C)NC(=O)N(CCSc2nnc(-c3ccco3)n2-c2ccccc2)C1=O 28010556 YKGPDDVTDVKFRV-UHFFFAOYSA-N 397.460 2.950 0 40 GFAB COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 36397723 JFGJUEPIPPSXCP-LBPRGKRZSA-N 390.436 2.760 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 48332696 IAJVGSYQQQCLNG-UHFFFAOYSA-N 397.399 2.742 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)NCCCN3CCCCCC3=O)CCC2=O)c1 12852321 BGVPXPPHWIJIGN-UHFFFAOYSA-N 398.507 2.695 0 40 GFAB Cc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)no1 3457215 UUMBQVLEWSWSOO-UHFFFAOYSA-N 390.490 2.901 0 40 GFAB COCCNC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 3411638 NJINWYNDDVOHNJ-UHFFFAOYSA-N 386.477 2.750 0 40 GFAB CCn1c(=O)n(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 12993538 QSRHYARRFIJFIW-UHFFFAOYSA-N 394.475 2.503 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 12923170 PCTNWEJJVNKVDL-IBGZPJMESA-N 395.459 2.823 0 40 GFAB COc1ccc(Nn2c(N)nn(CC(=O)c3cccc(OC)c3)c2=S)cc1 28535158 SKBRDBWIANFJEY-UHFFFAOYSA-N 385.449 2.772 0 40 GFAB O=C1N[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269958 BPVKQRQJQSDSDR-WOSRLPQWSA-N 399.756 2.839 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 5242223 IIVSGLAGBKLNIF-ZQIUZPCESA-N 380.391 2.955 0 40 GFAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C(C)C)cc1)C1=C(COC1=O)N2 4496029 GVXCHPBMAQUHBC-INIZCTEOSA-N 395.459 2.684 0 40 GFAB O=c1nc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)[nH]c2ccccc12 14017638 SEEZADIXRIYJLR-UHFFFAOYSA-N 390.274 2.947 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccccc2)cc1 19170404 NSVJBXXWSGHFDE-UFYCRDLUSA-N 377.444 2.621 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(F)c2)cc1 5438449 SYMZRTALXYOSDP-UHFFFAOYSA-N 378.425 2.596 0 40 GFAB CN(C)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1 19298107 HPLXGZQKLMRAMF-SFHVURJKSA-N 397.500 2.701 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(C)(C)C)cc1 22531949 IAOLZJWOVGTZCV-WBVHZDCISA-N 395.569 2.680 0 40 GFAB Cc1nnnn1-c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 71285656 UYYNYFZCYNGWNQ-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB Cc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 7457883 NSZCEDCPOOFMKE-MRXNPFEDSA-N 394.475 2.629 0 40 GFAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 68339097 SFQUILBLOSDEAD-APPDUMDISA-N 394.880 2.511 0 40 GFAB O=C(Nc1cccnc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 7778202 FBJBDHDTURALOU-UHFFFAOYSA-N 397.412 2.863 0 40 GFAB CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CC1 7780188 AQDNEDYKYIIYAP-UHFFFAOYSA-N 387.461 2.778 0 40 GFAB FC(F)(F)c1cccc(C2(c3nc([C@@H]4COCCN4)no3)CCOCC2)c1 96001462 ILPWLPJSPRETRD-AWEZNQCLSA-N 383.370 2.846 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 8429198 MYBUBGPXEURHLM-SFHVURJKSA-N 390.505 2.787 0 40 GFAB COc1ccccc1NC(=O)C(=O)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 20059993 YWVYJLXJWXUIBT-APPDUMDISA-N 399.369 2.663 0 40 GFAB O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CCOC[C@H]1CCO 95460928 APAJZZGIFKXYSL-CQSZACIVSA-N 385.917 2.508 0 40 GFAB O=C(Cc1ccccc1I)N[C@@H](CO)c1ccccc1F 95983326 LKKPZWCOXFEEGB-HNNXBMFYSA-N 399.203 2.823 0 40 GFAB O=C(c1ccncc1)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1 89851362 KBWPIFLBKTXNAI-UHFFFAOYSA-N 377.448 2.522 0 40 GFAB CCOC(=O)c1cnn2c(C(=O)N3CCC[C@H](c4nc(C)cs4)C3)ccnc12 89984906 BIBAZAPVQROSEW-ZDUSSCGKSA-N 399.476 2.691 0 40 GFAB CCn1c(=O)n(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc21 23741847 DNSYXAHJSBQPNZ-NRFANRHFSA-N 392.503 2.776 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1Cl 408597926 WPNPJPNDWPAHEU-LBPRGKRZSA-N 376.906 2.568 0 40 GFAB CCN(CC)CCCNC(=O)c1nc(-c2ccnn2C(C)C)n2ccncc12 306131853 KQYBMRGWKHXCGJ-UHFFFAOYSA-N 383.500 2.635 0 40 GFAB COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1OC 409092824 ZJZVGRRJBIZKAR-LFIBNONCSA-N 395.415 2.544 0 40 GFAB Cc1ccc(Nc2nccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)nc1 72377586 VEYHOLCNOZHCMZ-QGZVFWFLSA-N 380.496 2.725 0 40 GFAB O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc2c(c1)Cc1ccccc1-2 70655887 OXNRCWBJBFFANY-UHFFFAOYSA-N 383.411 2.639 0 40 GFAB COc1ccccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 31666912 UOYSXEIZIYJLRI-SFHVURJKSA-N 376.884 2.911 0 40 GFAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72346127 SKPFHOWHXJTDMQ-INIZCTEOSA-N 383.471 2.667 0 40 GFAB Cc1cc2nc(C3CCN(C(=O)Cn4ccnc4)CC3)cc(C(F)(F)F)n2n1 72340818 WHRDLNAEJDZGDW-UHFFFAOYSA-N 392.385 2.659 0 40 GFAB CN1CCN(C(=O)Nc2ccc3c(c2)CCC3=O)C[C@H]1c1nc(C2CC2)no1 566662344 QNDIYWDTELNVHS-INIZCTEOSA-N 381.436 2.597 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 222536398 ZUCMZJRUMUZNHC-CQSZACIVSA-N 390.867 2.891 0 40 GFAB CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 225215097 FFYWVWIDXGPIGN-IEBWSBKVSA-N 380.554 2.822 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccccc1 224624965 CHECVDIRILQWRE-UHFFFAOYSA-N 378.469 2.731 0 40 GFAB CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224638340 FOEGRYIVFCTTRS-UHFFFAOYSA-N 379.434 2.682 0 40 GFAB CCN(c1ccc(C(=O)NCCN(C)c2ccccc2)cc1)S(=O)(=O)CC 222401597 YWDFWKBSWZOHJA-UHFFFAOYSA-N 389.521 2.729 0 40 GFAB COc1ccccc1CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 40081463 ADPGZDXANXMXMO-NRFANRHFSA-N 381.520 2.733 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2c(OC)cccc2OC)c1 223901388 KNVQURRRZRTQAU-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB Cc1cc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)c(Br)s1 633990530 RUIUCUWFPQUCMR-MRVPVSSYSA-N 383.193 2.944 0 40 GFAB CN(C)c1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1 96373889 UQCJKNHEQNZSKO-UHFFFAOYSA-N 390.480 2.970 0 40 GFAB O=S1(=O)CC[C@H](NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)C1 575424849 PDGQXHGJWOOBLI-NSHDSACASA-N 387.939 2.937 0 40 GFAB O=C([C@H]1CCc2ccccc2O1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 585149303 HUBANNAXVHYBFY-OAHLLOKOSA-N 392.381 2.538 0 40 GFAB O=C(CN1CCC[C@](O)(COc2ccccc2F)CC1)NCc1ccccc1 585272853 KBZKWIGRCATHHP-JOCHJYFZSA-N 386.467 2.738 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1C(=O)O 55586517 AGBHVSDGZJFARY-UHFFFAOYSA-N 383.372 2.813 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 8088270 WQTLAADTUXLGGM-GZTJUZNOSA-N 394.387 2.689 0 40 GFAB O=C(NCCSCc1ccco1)c1cccc(S(=O)(=O)N2CCCC2)c1 5638134 WSXMAHMVUNARDR-UHFFFAOYSA-N 394.518 2.727 0 40 GFAB CCOc1ccc(NC(=O)CN2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 12183432 XNKYJXODIYNAPK-UHFFFAOYSA-N 395.459 2.638 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 12235965 HFNYJNOHYKECIP-QZTJIDSGSA-N 386.540 2.550 0 40 GFAB O=C(CCSc1nc2ccccc2s1)N1CCN(C(=O)C2CC2)CC1 12974488 ZRBCQWXIGGRSGV-UHFFFAOYSA-N 375.519 2.859 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC2CCCCC2)cc1 13688621 SWDPQODFCAQACF-UHFFFAOYSA-N 384.567 2.798 0 40 GFAB CC[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713973 XBHOOKFHYKQJLY-IBGZPJMESA-N 395.569 2.532 0 40 GFAB Cc1c(C(=O)NCCn2nc([C@@H]3CCNC3)c3cccnc32)oc2ccccc12 19566279 NWWLRHHOMFTZIY-OAHLLOKOSA-N 389.459 2.993 0 40 GFAB O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)NCCC1CCCC1 19750756 HFEHVIZVKHDBBD-UHFFFAOYSA-N 385.439 2.936 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(OC)c1C 8276391 AXWYMLVOHWZGTL-NVNXTCNLSA-N 392.477 2.821 0 40 GFAB Cc1ccc2cccc(NC(=O)CC[C@@]3(c4ccccc4)NC(=O)NC3=O)c2n1 19654883 SWTBSEZPCLKGPZ-QFIPXVFZSA-N 388.427 2.997 0 40 GFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3525300 XUKMUEQILFTNNR-DGCLKSJQSA-N 386.370 2.680 0 40 GFAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cc(-c2ccccc2)on1 1888913843 UWEZNCOUGBEVAF-UHFFFAOYSA-N 381.411 2.917 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889205347 KOKGRAKOZBLLLG-ZBFHGGJFSA-N 377.897 2.943 0 40 GFAB Cc1cnc(N(C)[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc1 1889205716 YVFDUJVTIIKQFQ-OAHLLOKOSA-N 380.901 2.728 0 40 GFAB CC(C)Oc1ccc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)cn1 240122512 WARAERSJBSKHEJ-UHFFFAOYSA-N 394.460 2.965 0 40 GFAB Cn1cc(-c2cncc(N3CCN(c4nc5cc(Cl)ccc5o4)CC3)n2)cn1 2087160927 MAKCWXOQTMXEGY-UHFFFAOYSA-N 395.854 2.998 0 40 GFAB COc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 4569206 CFZMOSPFADMGPO-QGZVFWFLSA-N 388.489 2.587 0 40 GFAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)s1 5075430 SFKXAXSSNGSZOE-UHFFFAOYSA-N 392.911 2.742 0 40 GFAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 8724550 OFUPZRGIGIQWIE-ZDUSSCGKSA-N 379.464 2.786 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(Cc2cccs2)o1 11694664 KKUSGFBVGUGVDU-UHFFFAOYSA-N 395.437 2.664 0 40 GFAB O=C(c1ccsc1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055739289 PMAMQDMWLSZKDM-UHFFFAOYSA-N 376.507 2.570 0 40 GFAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)c(F)c2)C1 2055747293 WQMWIXJZOQJSPO-PWIZWCRZSA-N 387.430 2.656 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(Cl)cc3)C2=O)c1 101260818 JPSSDIFFXCRXLR-CVEARBPZSA-N 386.795 2.855 0 40 GFAB CN([C@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1)S(=O)(=O)C1CC1 2086864713 CFGCOYPOARWPTJ-NSHDSACASA-N 381.395 2.632 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2nccnc2-c2cnn(C)c2)c1C 575618630 DPJVJIALJASBMK-UHFFFAOYSA-N 385.493 2.589 0 40 GFAB COc1cccc(OCC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)c1 575612782 NCFSSIGROLCZIU-MRXNPFEDSA-N 377.828 2.587 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)NCCc2nnc(-c3ccccc3)n2C)cc1 1624904952 NCFCVPRQVWDWKA-UHFFFAOYSA-N 375.432 2.579 0 40 GFAB CC(C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 16013362 CMYPWYFYCZTSCH-ZLGUVYLKSA-N 379.504 2.719 0 40 GFAB CN1CCN(CCCNC(=O)c2ccc3c(c2)CCO3)[C@H](c2ccccc2)C1 40081496 OOTZTLCYFXXVOL-NRFANRHFSA-N 379.504 2.730 0 40 GFAB COc1ccc(S[C@H](C)C(=O)NCc2cccnc2N2CCOCC2)cc1 40153806 QCEUOANHUKVORQ-OAHLLOKOSA-N 387.505 2.724 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CCc1nc(-c3ccncc3)no1)CC2 31239566 DUXQRSLWLGZCHW-UHFFFAOYSA-N 394.431 2.666 0 40 GFAB biogenic CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 100741890 MCXCMJUZCCQTSH-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB O=C(O)C1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20722818 QJVABMADZQATDM-AWEZNQCLSA-N 381.226 2.853 0 40 GFAB O=C([C@H]1CCCO1)N1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 20949741 KUHQKOZUVYXHOU-MRXNPFEDSA-N 375.856 2.818 0 40 GFAB COC(=O)c1ccc(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 32747465 SFARBGSVYLUAFB-UHFFFAOYSA-N 388.807 2.741 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1C 904631 OKVRACUXZZVENG-AWEZNQCLSA-N 390.509 2.896 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)c3ccccc32)sc(C)c1C 1944943 BSPFSXFDDMXIAG-UHFFFAOYSA-N 386.429 2.710 0 40 GFAB COC(=O)[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)C(C)C 32909300 NWYNGNBNICKMCE-HNNXBMFYSA-N 394.269 2.871 0 40 GFAB COCc1c(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)oc2ccccc12 7836356 QATGQXAIIFXVNJ-LBPRGKRZSA-N 388.420 2.893 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c1 7940123 NOEKVNNIDXEIFM-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCNC(=S)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 102847032 ACXJGUJLYZIBCV-HNNXBMFYSA-N 391.880 2.962 0 40 GFAB CCn1c(CN2CCCCCC2=O)nnc1SCc1noc(C2CC2)n1 52888260 PWIYCWJFLJADGP-UHFFFAOYSA-N 376.486 2.753 0 40 GFAB Cc1ccc(C)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1 641063 YPOMCIZTNXZMOO-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB biogenic COc1ccc([C@@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)c(OC)c1OC 16956965 GYMKDLWNFYXCLV-JTQLQIEISA-N 391.449 2.652 0 40 GFAB CCOC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccccc1OC 57731188 CFUBRAONLUWDQV-LIRRHRJNSA-N 387.480 2.598 0 40 GFAB CCn1c(SCc2noc(-c3ccc(C)cc3)n2)nnc1N1CCOCC1 22831403 PBRFUMMEIQZOAP-UHFFFAOYSA-N 386.481 2.785 0 40 GFAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 23175217 VXYRTWPKTDEOFG-OAHLLOKOSA-N 376.478 2.869 0 40 GFAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCCCN1CCOCC1 23504994 ZBEWLXDYMMPPIU-UHFFFAOYSA-N 395.503 2.970 0 40 GFAB O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCCCCC1 24609691 KOBMKVXANDUNGB-UHFFFAOYSA-N 382.501 2.770 0 40 GFAB O=C1N/C(=C\c2c[nH]c3ccccc23)C(=O)N1C[C@@H](O)COc1ccccc1F 24843906 VPHXEEJPAZMADO-BBSXFRJVSA-N 395.390 2.640 0 40 GFAB COCC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 100223392 TZGABZRILUHGOW-LZWOXQAQSA-N 381.542 2.916 0 40 GFAB O=C(CN1CCCCC1=O)NCC1CCN(Cc2ccccc2Cl)CC1 106829408 QVOGGABBMFYMMG-UHFFFAOYSA-N 377.916 2.681 0 40 GFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 113959055 YRDXOXZWBPTVBK-BHIYHBOVSA-N 376.522 2.921 0 40 GFAB Cc1cccc(C)c1OCCO[C@@H](O)CN1CCN(Cc2ccccc2)CC1 27530927 KDRYWTJLQOOGNH-JOCHJYFZSA-N 384.520 2.835 0 40 GFAB CC(C)N(C(=O)COc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccccc1 3268707 HRPYVCDEPGGMAT-OAQYLSRUSA-N 381.432 2.562 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O 57427204 SOIAQNHYGIAPMV-UHFFFAOYSA-N 375.425 2.803 0 40 GFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccco2)Oc2ccccc21 100180611 GXWPVYLBYOLOKN-WHZNHKCRSA-N 380.444 2.893 0 40 GFAB CCN1CCN([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441801 UOIPUVKKBLCBKB-ZWKOTPCHSA-N 385.961 2.567 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c1 27393080 QQAZMPNMTKCOBC-GOSISDBHSA-N 389.473 2.980 0 40 GFAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCCO2 27602589 OMXCCQPMCNMUCV-YLJYHZDGSA-N 396.491 2.978 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc(C)cc2)n2nnnc2N3)c1 10296773 YVVFUROIDNQPIM-SFHVURJKSA-N 387.403 2.847 0 40 GFAB Cc1ccc2cc(-c3noc(CCC(=O)Nc4nccs4)n3)c(=O)[nH]c2c1 21792879 HEHFNHJDUNZHBJ-UHFFFAOYSA-N 381.417 2.914 0 40 GFAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 2137049 VBQOWJVYSUFZAE-UHFFFAOYSA-N 383.539 2.720 0 40 GFAB Cc1ccccc1NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316741 LECCPLUKXIDGKI-UHFFFAOYSA-N 395.434 2.840 0 40 GFAB COCCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2293378 NFUJGOZDIOCGFZ-UHFFFAOYSA-N 375.432 2.922 0 40 GFAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1C(=O)c2ccccc2S1(=O)=O 28297124 QZQCSHVCZIZQKZ-MRXNPFEDSA-N 398.484 2.772 0 40 GFAB O=C1NC(=O)C2(CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)N1 12795110 RCOYJUBYVIFIET-UHFFFAOYSA-N 379.445 2.537 0 40 GFAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2414318 QUDLZXRYDTUMMH-SZIUKJGQSA-N 385.460 2.882 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1nc2ccc(F)cc2s1 12749962 CDOFLVQZLAVPOF-UHFFFAOYSA-N 397.428 2.882 0 40 GFAB C[C@@H]1CCC[C@@H]2CCCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)[C@H]12 48312115 KNCPRYOJDOYNGA-AWCZTAGVSA-N 395.503 2.807 0 40 GFAB COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1cccc2cc(C)cnc12 12858895 IVJBEXZXEQUKKY-UHFFFAOYSA-N 399.472 2.777 0 40 GFAB CNc1nc(-c2cc(C)n(NC(=O)c3n[nH]c(=O)c4ccccc34)c2C)cs1 12863563 IEGPMMBPPXQWSI-UHFFFAOYSA-N 394.460 2.891 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(N3CCN(C)CC3)s2)cc1Cl 23139764 IBXDZSVRJRFXKH-UHFFFAOYSA-N 397.957 2.983 0 40 GFAB CN(C)C(=O)[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 12907633 YSOLLABUMFQLLB-GHTZIAJQSA-N 396.468 2.988 0 40 GFAB CCC(=O)N(c1nnc(SCc2nnnn2-c2ccccc2)s1)C1CC1 12923627 QTXZOLBSHYGPPN-UHFFFAOYSA-N 387.494 2.712 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)c2oc3ccc(OC)cc3c2C)c2ccccc2O1 12925348 FTKMPDAMIDUMEX-SFHVURJKSA-N 380.400 2.904 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1cc(F)ccc1F 3600889 FORXHRHGXPBXGL-HXUWFJFHSA-N 385.370 2.687 0 40 GFAB CCC(CC)[C@@H](CNC(=O)CCc1cc(OC)cc(OC)c1)N1CCOCC1 13010735 GZILDNZALHBSNL-OAQYLSRUSA-N 392.540 2.890 0 40 GFAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)NC(C)C 8475852 UAMQZTIAVPUDBA-UHFFFAOYSA-N 396.896 2.965 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)c1 4320442 VQABICNVJDWDHU-UHFFFAOYSA-N 395.521 2.968 0 40 GFAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)cc1 5265201 BTVASPVTDZOFJM-QFIPXVFZSA-N 379.460 2.893 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)c3nnc4ccccn34)CCC2)cc1 65552774 HVDSURGVDVJGJB-HNNXBMFYSA-N 398.488 2.612 0 40 GFAB CC1CCN(Cc2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)CC1 6881863 GPAIVKPETLSUFS-UHFFFAOYSA-N 397.504 2.724 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)N1CCO[C@@H](c2ccccc2F)C1 67042527 OTLWZYCPBKNVIX-GOSISDBHSA-N 381.411 2.690 0 40 GFAB CCOc1ccc(Br)cc1CNCCCSc1nnnn1C 4993812 OJDFEVNMAVBJNW-UHFFFAOYSA-N 386.319 2.643 0 40 GFAB CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 67209827 LMPWBWUREZOCTI-SFHVURJKSA-N 392.434 2.505 0 40 GFAB Cc1ccccc1OCCN(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 8938429 IUMUUMWKIYTECV-UHFFFAOYSA-N 381.476 2.837 0 40 GFAB CC(=O)Nc1cccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1 67645899 XOLWPVSAEUFQJI-UHFFFAOYSA-N 381.411 2.969 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 7987342 SDJVPVAZZMNVKU-HXUWFJFHSA-N 386.517 2.798 0 40 GFAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)CC(C)C)c2cccnc2)cc1 8026767 CVRPTJYOPNPYLR-GOSISDBHSA-N 376.478 2.768 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)N(C)C)cc1 8037411 FUKVAQIGZHSSLX-OXQOHEQNSA-N 399.466 2.606 0 40 GFAB CN(CCOc1cccc(Cl)c1)C(=O)CCN1C(=O)c2ccccc2C1=O 8116461 NTAVKNDKASVFCD-UHFFFAOYSA-N 386.835 2.864 0 40 GFAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCN(C)CC1 19901582 DVVADPKJLRVYKO-UHFFFAOYSA-N 387.505 2.778 0 40 GFAB O=C(COc1coc(CN2CCOCC2)cc1=O)c1ccc2ccccc2c1 72401571 KYIYNGZZFAVZDV-UHFFFAOYSA-N 379.412 2.887 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3nnc4ccccn34)n[nH]2)cc1OC 95478620 PMRXWFVYQOQMKY-GFCCVEGCSA-N 392.419 2.628 0 40 GFAB CC(C)c1nc(CONC(=N)[C@@H]2COCCN2C(=O)OC(C)(C)C)cs1 95449568 IVWBTMUXCPMNNX-ZDUSSCGKSA-N 384.502 2.901 0 40 GFAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 22350807 HLEFJVRFXZQOJW-HNNXBMFYSA-N 378.469 2.931 0 40 GFAB O=C(NCCCOCc1ccco1)[C@@H]1CCCN1c1ncnc2ccccc12 89872898 ZJUVYBJWDAKLNX-IBGZPJMESA-N 380.448 2.915 0 40 GFAB O=S(=O)(C1CC1)N1CCc2nc(-c3ccccc3)nc(OCC3CC3)c2CC1 306143465 YCYBCVLUQWEGRT-UHFFFAOYSA-N 399.516 2.825 0 40 GFAB Cn1cccc1[C@@H](CNC(=O)c1ccccc1C(F)(F)F)N1CCOCC1 21152193 OVYIUJQBHRSTDW-QGZVFWFLSA-N 381.398 2.847 0 40 GFAB CCCCC(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(N)=O)cn1C)n2C 36353257 AOEIEBRMGYQVNX-UHFFFAOYSA-N 383.452 2.815 0 40 GFAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2 72335534 MACIJELUNRWAEV-UHFFFAOYSA-N 390.491 2.504 0 40 GFAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(F)cc1F 223054425 XXAQBLUEGHZRIK-UHFFFAOYSA-N 396.415 2.731 0 40 GFAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)Cc1ccc(-n2cnnc2)cc1 563884311 QEYDLRRDUNBLNC-UHFFFAOYSA-N 389.459 2.993 0 40 GFAB C[C@H]1CN(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC[S@@](=O)C1 570801598 PEWVAROKZSPYAZ-LJZMDLFKSA-N 390.490 3.184 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c(OC)c1 220119214 PAZIDLUANSIYJT-CQSZACIVSA-N 392.477 2.805 0 40 GFAB COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c1 225930188 IYWDSIGRCYZHES-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CC(C)NC(=O)CCc1nc(-c2ccc(I)cc2)no1 225837223 NECBHKXNEWDRNE-UHFFFAOYSA-N 385.205 2.798 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccccc3)ccc21 225672697 OCBVHJNWRWNYDG-UHFFFAOYSA-N 394.543 2.812 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 577075778 YZSLZCODOXFUFC-GFCCVEGCSA-N 382.342 2.680 0 40 GFAB COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)nc2ccccn2c1=O 96117993 VPPMQUNZHARAQY-SNVBAGLBSA-N 378.306 2.512 0 40 GFAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)cc1OC 95534293 VZTUWYJFNNUOSO-GOSISDBHSA-N 384.436 2.944 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239015 XSRAFNQZLZMLDQ-QFIPXVFZSA-N 378.428 2.613 0 40 GFAB COc1ccc(CC(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260057 KWICNVHLUKVMDY-UHFFFAOYSA-N 379.416 2.785 0 40 GFAB COCCOCC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257258289 KTESQEBMZWPAOX-XANJAXJYSA-N 386.536 2.782 0 40 GFAB CC(=O)N1[C@@H]2CN(C(=O)CN(C)Cc3ccccc3F)[C@@H]3CCC[C@H]1[C@]3(C)C2 257326549 WXPUUGWIRGAEAO-ZJDLJICXSA-N 387.499 2.648 0 40 GFAB O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccccc1Br 90596946 ZXCCMELTFRLWIG-MRXNPFEDSA-N 382.279 2.561 0 40 GFAB O=C(NCCc1csc(-n2cccn2)n1)C1(c2ccccc2)CCOCC1 90609506 JBJJZKDTESQZHU-UHFFFAOYSA-N 382.489 2.736 0 40 GFAB CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1 1641035561 PCXUWSCIAPRZOO-QGZVFWFLSA-N 391.410 2.601 0 40 GFAB O=C(N[C@@]1(CO)CCc2cc(Br)ccc2C1)c1coc(C2CC2)n1 628681782 MNNRZTBTBRYJLQ-SFHVURJKSA-N 391.265 2.964 0 40 GFAB CC(C)Oc1cncc(S(=O)(=O)N2CC[C@@H](C(=O)O)c3ccccc32)c1 634794339 XPUQLTQLZYLQKU-MRXNPFEDSA-N 376.434 2.636 0 40 GFAB Cc1cc(Cn2cc(CN3CCC[C@@H]3CO)nn2)nc(-c2ccc(Cl)cc2)n1 641113251 YKKBVAZKKYBBKE-LJQANCHMSA-N 398.898 2.702 0 40 GFAB CC(C)n1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)nn1 644649522 OOONPKUCVKCNNF-UHFFFAOYSA-N 377.448 2.610 0 40 GFAB O=C(C1CC(O)C1)N1CCC[C@]2(CCCN2c2ncnc3ccsc23)CC1 585101715 AYHXCLPFPXHFRH-WSNMIEGMSA-N 386.521 2.814 0 40 GFAB COCCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C1CCCC1 62581145 JQLYEXLPIQXGBB-UHFFFAOYSA-N 390.452 2.512 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1O 72393206 QHZWCKOVWRINLT-INIZCTEOSA-N 392.459 2.926 0 40 GFAB Cc1ccc(CC(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 1615123441 RIUGJXUOHJKZIL-UHFFFAOYSA-N 378.472 2.962 0 40 GFAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14833728 SSUZSWDVKNZIPT-XCVCLJGOSA-N 395.893 2.514 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 15350707 ULSHWKNBBSSELX-UHFFFAOYSA-N 377.194 2.546 0 40 GFAB CCOc1ccccc1CN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 19520196 AZBYQKMHICWSMO-UHFFFAOYSA-N 382.508 2.963 0 40 GFAB CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)no2)c1C 19524054 SDVJKZKEXHXDMI-NSHDSACASA-N 381.392 2.838 0 40 GFAB COc1cc2c(cc1CN1CCC[C@H](c3cc(N)n4nc(C)cc4n3)C1)OCO2 12667606 FLVNFLWDBDEQCV-AWEZNQCLSA-N 395.463 2.737 0 40 GFAB C[C@@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[C@@]1(C)CO 664213923 SHLITAFKRZMDIT-BMIGLBTASA-N 395.809 2.793 0 40 GFAB CC(C)NC(=O)CSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 3410477 ZMDDDYUWUDQPHP-UHFFFAOYSA-N 386.473 2.962 0 40 GFAB Cc1nc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)ccc1F 1888890928 DYRNJPWIIAKPTG-GASCZTMLSA-N 379.439 2.624 0 40 GFAB O=C(c1cccc(O)n1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897041 QZHSGZYNNXRQRQ-UHFFFAOYSA-N 393.447 2.639 0 40 GFAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccccc5Cl)C[C@H]4C3)nn12 1888909625 PYTBFQJIPXQLBB-OKILXGFUSA-N 397.870 2.686 0 40 GFAB C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)c1ccc(F)c(F)c1 31745230 HICDDBPOBGVWRN-JTQLQIEISA-N 386.445 2.974 0 40 GFAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NC1CCCC1 2975256 ZATQACJPQWDESS-UHFFFAOYSA-N 375.450 2.627 0 40 GFAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 4249166 BWMUBMNFDXKXSO-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB CN(C)c1ccc(CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 11693727 JAZRGAOXFQMTJQ-UHFFFAOYSA-N 395.381 2.949 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1(c2cccs2)CCCC1 13804205 ZFWPHPGIIVRQIO-UHFFFAOYSA-N 386.473 2.721 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)o1)c1cccc2nsnc12 1775965395 FPNSYCDPVBQTEG-NSHDSACASA-N 391.430 2.556 0 40 GFAB O=S(=O)(NCCn1ccn2nc(-c3ccco3)cc12)c1ccc(F)cc1F 206751215 VOWYMYYLOHYBFY-UHFFFAOYSA-N 392.387 2.653 0 40 GFAB Cc1cccc(CCC(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)c1 585147683 RAKOIHISLXOGGY-UHFFFAOYSA-N 399.516 2.778 0 40 GFAB COc1ccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F 40097133 RZJFQJUCXORIEH-UHFFFAOYSA-N 395.456 2.749 0 40 GFAB O=C(OCCNS(=O)(=O)c1ccccc1)C1(c2ccc(F)cc2)CCC1 40153099 BGICHGPMFRGVAO-UHFFFAOYSA-N 377.437 2.769 0 40 GFAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3cccc(Cl)c3)[C@H]2C1=O 100909381 FCJFHNOJWPKEHE-SJLPKXTDSA-N 397.818 2.672 0 40 GFAB COc1cc(CNC(=O)CN(C)[C@H]2CCc3ccccc32)cc(OC)c1OC 29488381 TXMAJAXVKAWTAN-SFHVURJKSA-N 384.476 2.948 0 40 GFAB CCCOc1ccc(C(F)(F)F)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@@H]21 32912791 YZSPBHPLQTWPHP-MFKMUULPSA-N 377.384 2.644 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H](C(=O)NCCN4CCCCC4)[C@@H]31)O2 100124918 RCBWNGNACAEJIX-JNHGLSHCSA-N 382.504 2.957 0 40 GFAB CSc1ccccc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22035090 FUDPVWZTJLSCIL-UHFFFAOYSA-N 399.516 2.894 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c2c1C 791154 DZNORLMIVACGBN-UHFFFAOYSA-N 389.408 2.721 0 40 GFAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1Cl 9743138 OZSZKJOUIVFIJD-SNVBAGLBSA-N 389.774 2.639 0 40 GFAB CC(C)CS(=O)(=O)CCC(=O)/N=c1/sccn1Cc1ccccc1F 104342998 DQBQXYQECOIMBI-HTXNQAPBSA-N 384.498 2.625 0 40 GFAB O=C(NCc1ccc(Br)s1)c1ccc2c(=O)[nH]c(S)nc2c1 47087388 AGFOYBLHRZZGLL-UHFFFAOYSA-N 396.291 2.966 0 40 GFAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 23177965 IFIDAYCJUGTIDK-OAHLLOKOSA-N 388.443 2.533 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3C)CC2)cc1C 23638905 VBYPRQXNDZLECU-UHFFFAOYSA-N 379.504 2.686 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)Cc2c(Cl)cc(C)nc2Cl)c2ccccc2O1 24343603 AVXWXGKEETYZDR-HNNXBMFYSA-N 394.258 2.780 0 40 GFAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(-c2nnco2)c1 24739003 LBFXZXVHELZXOP-UHFFFAOYSA-N 384.779 2.754 0 40 GFAB COc1cccc2sc(NC(=O)N3CCC(CN4CCOCC4)CC3)nc12 47379374 LZFZEGVOFOHQAD-UHFFFAOYSA-N 390.509 2.881 0 40 GFAB Cc1ccc(NC(=O)COc2ccc([C@@H]3CC(=O)Nc4ncnn43)cc2)cc1 105936060 DWSURVHEMAETHI-KRWDZBQOSA-N 377.404 2.536 0 40 GFAB Cc1cccc2c(=O)[nH]c(CNc3ccccc3C(=O)NC[C@@H]3CCCO3)nc12 12526487 VSGODRFMHHVWND-HNNXBMFYSA-N 392.459 2.752 0 40 GFAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 35392601 YPVLYPWONCGZFT-UHFFFAOYSA-N 377.554 2.690 0 40 GFAB S=c1n(CN2CCN(c3ncccn3)CC2)nc2sc3ccccc3n12 57389489 XKGFYUPCFSXGKQ-UHFFFAOYSA-N 383.506 2.650 0 40 GFAB O=C1N=C(O)C(=C2C=C(c3ccccc3)N(CCO)C3=C2CCCC3)C(=O)N1 57478248 OXOQCUKWIQRJSO-UHFFFAOYSA-N 379.416 2.666 0 40 GFAB COCCCNC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 26755957 WUDIHXSTQOOPPR-LBPRGKRZSA-N 380.539 2.899 0 40 GFAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN[C@H]2CCS(=O)(=O)C2)cc1 10030198 MXUCZKPBVIAOEB-ROUUACIJSA-N 397.581 2.917 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1Cl 22248016 NKYBGPAPRWCNOJ-HNNXBMFYSA-N 383.853 2.713 0 40 GFAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 58244913 POHNQFDMIIRHIB-UHFFFAOYSA-N 377.322 2.507 0 40 GFAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)CCCC2 23674307 WLQRWWCJJOJUMC-UHFFFAOYSA-N 392.565 2.879 0 40 GFAB Cc1c(N[C@@H](C(=O)NC2CC2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 48290746 ZKYNMVKRVDMTHQ-HXUWFJFHSA-N 376.460 2.916 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c(C)c1C 18013524 APKIIHGYAAWYFJ-SGTLLEGYSA-N 378.538 2.718 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)C(=O)N(C)C3=O)O[C@H](C)C2 29129856 AMUCFLMAOLRNLM-LLVKDONJSA-N 380.400 2.887 0 40 GFAB O=C(COC(=O)CSCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1 3495889 FTUXZKJWMXIRTQ-UHFFFAOYSA-N 384.885 2.567 0 40 GFAB CC[C@@H](NC(=O)CN1CCCN(C(C)=O)CC1)c1ccc(Br)cc1 12985099 RHOMGYRKLLDZMT-QGZVFWFLSA-N 396.329 2.571 0 40 GFAB COc1ccc(CCNC(=O)Cn2c(S)nnc2-c2cccc(C)c2)cc1 12923361 ZPKDAYGCFBIHGJ-UHFFFAOYSA-N 382.489 2.910 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1OC 4044813 YMDVKYXTZJPBLT-YWZLYKJASA-N 396.399 2.503 0 40 GFAB biogenic O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](C(=O)N2CCSCC2)C1 13683189 WAVKOTHWQDQXRP-QGZVFWFLSA-N 385.533 2.915 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1C 5025418 ACMDZDGXADWBNV-MRXNPFEDSA-N 393.530 2.960 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 5388487 DIKHKWRQJNXNSG-UHFFFAOYSA-N 397.818 2.989 0 40 GFAB CCc1c(C)nc2n(c1=O)[C@H](c1ccccn1)N=C(Nc1ccc(OC)cc1)N2 9061043 JMETZXCZGVGHDX-GOSISDBHSA-N 390.447 2.958 0 40 GFAB COCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 4735524 IVTYBCKFAVDXRZ-NRFANRHFSA-N 377.444 2.784 0 40 GFAB CCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 409388466 JKBMPOBZBFJMEU-UHFFFAOYSA-N 390.505 2.952 0 40 GFAB CC(C)Sc1nc(N(CCO)CCO)c2sc3c(c2n1)COC(C)(C)C3 6759584 VKEKFRKIQXSVDS-UHFFFAOYSA-N 397.566 2.834 0 40 GFAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(N2CCOCC2)nc1 14810077 DGMWDBAHYBQMIN-UHFFFAOYSA-N 393.447 2.930 0 40 GFAB COc1ccc(OCc2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)o2)cc1 6844312 FFOHIUNXNYDQJR-MRXNPFEDSA-N 384.310 2.950 0 40 GFAB COc1ccc(CC(=O)NCCCn2cnc3ccccc32)c(OC)c1OC 7256708 QREMMMDLYPDCFM-UHFFFAOYSA-N 383.448 2.811 0 40 GFAB CN(C)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 67772470 IDOYGRTWLJBFNQ-UHFFFAOYSA-N 382.460 2.960 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1C 15866649 CTPACHDZLXFPNM-MLGOLLRUSA-N 375.494 2.911 0 40 GFAB Cc1ccc(CCC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c(C)c1 96001773 LCHBNJMXSYASGB-GOSISDBHSA-N 395.463 2.620 0 40 GFAB CC(C)C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nnc2ccccn12 96117159 BIUPMKSAXXEAFD-HNNXBMFYSA-N 379.420 2.577 0 40 GFAB O=C(C[C@H]1OC(=O)c2ccccc21)NC[C@H](c1cccc(F)c1)N1CCOCC1 69407890 BJGNPMZASKLNBO-WOJBJXKFSA-N 398.434 2.617 0 40 GFAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 95479900 BSALXMXOAUQZIA-DOTOQJQBSA-N 380.897 2.619 0 40 GFAB Cc1cc(C(=O)N[C@@H](Cc2ccccc2)Cc2c[nH]cn2)ccc1-n1cncn1 89591400 JRVAOPVLVQYRBY-IBGZPJMESA-N 386.459 2.883 0 40 GFAB COc1ccccc1N(CC(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22362572 XTQVVOVKMUGVLB-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 306143352 XZZJACVFRWWJGY-GGAORHGYSA-N 395.503 2.790 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 36835224 XTXIZLCHVNJNMP-UHFFFAOYSA-N 381.388 2.559 0 40 GFAB Cc1nc(C)c(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)s1 77100041 TZXJNRLZZGXDSN-UHFFFAOYSA-N 395.492 2.524 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218468561 CNYKRINOIQDUIT-RYRKJORJSA-N 380.849 2.997 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccccc2)cc1 216471734 XVEOIXSTUCNEKF-UHFFFAOYSA-N 379.503 2.826 0 40 GFAB CCN1C[C@H](CN(C)C[C@@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 32814671 MQWRVHHPKKOHRH-CTNGQTDRSA-N 398.503 2.848 0 40 GFAB CCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 72326501 UNHQNJAZFOTXBR-UKTRLQBQSA-N 396.535 2.529 0 40 GFAB CN(C)CCc1ccc(C(=O)N2CCc3c(nnn3-c3ccccc3)C2)cc1 563402386 ONUVAVQTPMRHOD-UHFFFAOYSA-N 375.476 2.570 0 40 GFAB COc1ccccc1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O 49407126 ZEBRJQWJXWOHLH-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccco3)C2)cc1 72343138 NRGCJQTZBXTOPU-ILZDJORESA-N 389.473 2.791 0 40 GFAB C[C@H]1CN(C(=O)c2cccc(NS(=O)(=O)Cc3ccc(F)cc3)c2)CCO1 41281875 HECMGFVOCKOMHS-AWEZNQCLSA-N 392.452 2.629 0 40 GFAB C[C@H](CNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 225136534 NUQMQEAJPSZQDE-OAHLLOKOSA-N 378.469 2.507 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 223013890 YPGQKUJKWRXMHR-HXUWFJFHSA-N 384.476 2.936 0 40 GFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 225785273 FNLIBPLMOWCQBZ-QXGSTGNESA-N 388.895 2.897 0 40 GFAB COc1ccc2nc(CO[C@H]3CN(Cc4ccc(OC)nc4)C[C@H]3F)[nH]c2c1 96112277 JSIJNCQFHGWLKR-QAPCUYQASA-N 386.427 2.714 0 40 GFAB biogenic,in-vitro CC1(C)CN(C(=O)c2ccc3nnnn3c2)c2ccc(Br)cc2O1 585114428 MVZSVQQGRSYPMF-UHFFFAOYSA-N 388.225 2.705 0 40 GFAB Cc1nc2ccc(C(=O)N3CCC[C@@](C)(C(=O)NCC4CCOCC4)C3)cc2[nH]1 257203417 APYLRDHGYBZTNV-JOCHJYFZSA-N 398.507 2.656 0 40 GFAB CC(C)[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 260892916 FKDQKBVPQAKPEW-CXAGYDPISA-N 382.526 2.672 0 40 GFAB CCc1cnc2[nH]cnc(NCc3cccc(CN4CCC[C@H](C(N)=O)C4)c3)c1-2 1611958717 RAYCBXWHFGTXEA-SFHVURJKSA-N 392.507 2.781 0 40 GFAB NC[C@H]1CC[C@H](NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 638947360 LTJAMUHXJZVLME-RUCARUNLSA-N 386.517 2.908 0 40 GFAB COc1cccc(NC(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)c1OC 96025420 UAXXAFCJIQZFDB-OAHLLOKOSA-N 390.461 2.784 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96104432 AITPDAIKMXNOAK-UHFFFAOYSA-N 392.864 2.597 0 40 GFAB Cc1nc(Nc2cc(C)[nH]n2)cc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 585293234 SMHBNRQQCQHSPW-DVBCCOPCSA-N 389.463 3.332 0 40 GFAB CN1C(=O)CN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)C1=O 669746608 IYBGKFSNGFVNFB-UHFFFAOYSA-N 376.265 2.554 0 40 GFAB CCN1CCC(N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)CC1 1615125415 ZRVGWXUYUXNUQF-QFIPXVFZSA-N 389.515 2.898 0 40 GFAB Cc1nn(C)cc1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615131269 SLQHERWTMNAXNZ-NRFANRHFSA-N 386.471 2.656 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1C 5401627 QLGBPUQSIHQBDP-UHFFFAOYSA-N 391.427 2.937 0 40 GFAB CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O 5706774 IZPLXRUAUHMTGJ-CVEARBPZSA-N 396.509 2.650 0 40 GFAB Cc1noc(C)c1-c1nc(NCCCn2ccnc2)ncc1-c1cnccn1 12087420 VYZDCIJYFZPANM-UHFFFAOYSA-N 376.424 2.904 0 40 GFAB Cc1ccc(C)c(N(CCCC(=O)NCc2ccncc2)S(C)(=O)=O)c1 14399937 XAEWBVPRKPANOV-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB CCCC(=O)N1CCO[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19501473 JOBYHUPXAIYANY-HSZRJFAPSA-N 395.503 2.777 0 40 GFAB COc1ccc(-c2ccnc3c(C(=O)N[C@H](C)CN4CCCC4)cnn23)cc1 19719011 YUXACBDEWNVFMQ-OAHLLOKOSA-N 379.464 2.619 0 40 GFAB CC[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 203653169 DAXYUDFNWXHGBE-OBADGVGUSA-N 384.476 2.700 0 40 GFAB COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OC)c2)C1=O 6327173 BLJVZMCFLKIRMP-NVNXTCNLSA-N 379.434 2.939 0 40 GFAB Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1ccc2c(c1)CCCC2)C3 208038476 UDUZOQPQRDKZHE-UHFFFAOYSA-N 382.489 2.664 0 40 GFAB CCN(CC)Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)o1 647231462 BBBWMNHUTNZVLX-LJQANCHMSA-N 383.492 2.695 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)cn1 1888854077 LPUGIESHAJXTFF-UHFFFAOYSA-N 395.385 2.640 0 40 GFAB COc1cccc(CC(=O)N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)c1 1888882033 XCFXURSYKMIAAJ-QZTJIDSGSA-N 394.519 2.920 0 40 GFAB Cn1cc(C(=O)N2CC[C@H](COc3ccc(-c4cccc(F)c4)nn3)C2)cn1 1888901030 LBKUWZPQYFQRDZ-AWEZNQCLSA-N 381.411 2.557 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 15135949 ZIGJVRXOFTUOOU-KRWDZBQOSA-N 399.882 2.914 0 40 GFAB COc1ccccc1-n1ccnc(SCC(=O)NCCc2ccccc2)c1=O 4853133 OGAKSTZTHCSTEE-UHFFFAOYSA-N 395.484 2.692 0 40 GFAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1OC 9571305 XWEAKQNKEPSLEV-UHFFFAOYSA-N 382.424 2.618 0 40 GFAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(F)c(F)c1)CCN(C(=O)C(C)C)C2 2055795960 AGMFZMPTDJXVQD-OAQYLSRUSA-N 393.478 2.504 0 40 GFAB CCOc1ccc(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 23106228 OGJRITNROJBUMX-NRFANRHFSA-N 386.467 2.957 0 40 GFAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)O)C(C)C)ccc12 8739765 LGGQZCNWICHIPE-SJKOYZFVSA-N 375.421 2.657 0 40 GFAB biogenic Cc1ccc(C(=O)NC2CCN([C@H](C)C(=O)Nc3nccs3)CC2)s1 51098418 LQUKNRSKIYEOPV-GFCCVEGCSA-N 378.523 2.734 0 40 GFAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 32671818 NQLACIIQYJQNBR-SNVBAGLBSA-N 382.463 2.560 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCC3)cc2)C1 902208 XZNIOEZQUAWVKZ-MRXNPFEDSA-N 379.526 2.532 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(Br)c2)no1 12028861 DJRFBXQCLNZPPQ-ZDUSSCGKSA-N 378.226 2.989 0 40 GFAB CNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160470 ZFAIRYIETZTTFH-UHFFFAOYSA-N 399.447 2.902 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1Cc1ccccc1 4860282 FFQZQTGZJLNANC-UHFFFAOYSA-N 398.488 2.846 0 40 GFAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(Br)s1 6971044 ABGLPCYLENSHOH-UXBLZVDNSA-N 378.207 2.572 0 40 GFAB COc1ccc(C(=O)N2CCO[C@@H](c3noc(-c4ccc(OC)cc4)n3)C2)cc1 96000894 WTLLOFUREOQBAF-GOSISDBHSA-N 395.415 2.968 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@H]2c2cn(C)nc2C)c(C)c1 104611415 YPLKRHLKVXCGEZ-OLMNPRSZSA-N 379.468 2.595 0 40 GFAB CCOC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OCC)c2c(C)cc(=O)oc2c1 715418 GMPBVNFEZAJVTB-CHWSQXEVSA-N 392.404 2.762 0 40 GFAB biogenic Cc1ccnc(NC(=O)C2CCN(C(=O)c3cnc4ccccc4n3)CC2)c1 47292140 PDEZJPQFMKCRCU-UHFFFAOYSA-N 375.432 2.824 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cnn(-c2ccccc2)c1 23958569 NVIVRGYWSKCXFE-UHFFFAOYSA-N 376.460 2.635 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(CN2CCCC2)cc1 24389532 IZWMXPGSWATHHT-FQEVSTJZSA-N 383.492 2.946 0 40 GFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 100205621 PIBIRABOBQNDOD-IYBDPMFKSA-N 381.480 2.586 0 40 GFAB CCC[C@@H]1NC(=O)N(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1=O 24835481 ORVVFGYQMWSOMJ-BEFAXECRSA-N 384.432 2.939 0 40 GFAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 106530233 KUKNUCIRXHTCAJ-AIANPOQGSA-N 380.460 2.962 0 40 GFAB O=C(CN1CCN(CCc2ccncc2)CC1)Nc1ccccc1C(F)(F)F 22799047 MNSAXHBKFILSQG-UHFFFAOYSA-N 392.425 2.899 0 40 GFAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCc1cn2ccccc2n1 12549841 DAJWOPZMHZMHKK-UHFFFAOYSA-N 390.491 2.833 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 97117821 PIABCJQTNPTQQZ-QGZVFWFLSA-N 393.553 2.556 0 40 GFAB CC(C)c1nc(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)cs1 56972929 WOQWTVVOXWDDHJ-UHFFFAOYSA-N 395.506 2.693 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(-n2nccc2C)c1 58006512 RETHKYJYEHMONU-UHFFFAOYSA-N 387.417 2.688 0 40 GFAB COc1cc(C)c(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1OC 27556105 AMZGVYWAAPLHML-ZDUSSCGKSA-N 376.478 2.611 0 40 GFAB CN(C(=O)CSc1nnc(Cc2ccccc2F)n1N)C1CCCCC1 3279517 DSJLLKPXBPJNDF-UHFFFAOYSA-N 377.489 2.605 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2153033 UVVGZQXJIPLQFR-QGHHPUGFSA-N 375.421 2.576 0 40 GFAB biogenic C[C@H](NC(=O)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)c1ccccc1 62022787 GNJOYZOGGXECFT-FUHWJXTLSA-N 376.464 2.756 0 40 GFAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(C(=O)c4ccco4)C2)OC3)c1 306140422 UTHPAQPRXREVDA-NRFANRHFSA-N 379.416 2.967 0 40 GFAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 3344726 ADTFWIRSYHTMBO-UHFFFAOYSA-N 383.423 2.863 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccccc1 12793117 QERITDVEZUVTDT-UHFFFAOYSA-N 380.491 2.676 0 40 GFAB C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)c1ccc(F)cc1 12889924 HNRYOBCNIMJFNK-CYBMUJFWSA-N 391.420 2.794 0 40 GFAB CCOc1cc(CNC2CCN(C(C)=O)CC2)cc(Br)c1OC 17317061 GIIBMUZVYFNHNA-UHFFFAOYSA-N 385.302 2.957 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cc1 13173315 DFOFIOYRFORAAK-OAHLLOKOSA-N 381.837 2.689 0 40 GFAB O=C(CNc1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 63648132 GIVPCOPSCFRGLE-UHFFFAOYSA-N 381.263 2.718 0 40 GFAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 8694580 YXXRVSYQDSBZML-GCJKJVERSA-N 375.428 2.871 0 40 GFAB C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(-n2ccnc2)cc1 18048613 UINXPWYITXFBRL-HNNXBMFYSA-N 383.473 2.908 0 40 GFAB O=C(Cn1c(=O)c2ccccc2n2nncc12)Nc1ccccc1C(F)(F)F 5035259 FHSXCPILFMIEFM-UHFFFAOYSA-N 387.321 2.702 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCN(Cc2ccccc2)CC1 5252393 GSCVOSHMDBMCMY-NRFANRHFSA-N 395.503 2.735 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)OCCCO2 4540158 ROZIPJGDCYZXHB-UHFFFAOYSA-N 387.388 2.904 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 4503270 DUUTXUFSHHJJON-UHFFFAOYSA-N 382.420 2.961 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 4643789 XPAGXWZLYATFMM-FQEVSTJZSA-N 379.416 2.983 0 40 GFAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 4700862 HRRNVEGPWNNDBU-UHFFFAOYSA-N 399.451 2.866 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN(C)c1cn[nH]c(=O)c1Cl 15114258 QCRUQBGJDLOGOY-UHFFFAOYSA-N 385.649 2.569 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 7007598 VGXOFOCQBNCMAB-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2Cl)n1 7048113 HIBJTJQHMSVZBJ-GFCCVEGCSA-N 396.838 2.757 0 40 GFAB COc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)CCc4ccccc4)n3n2)cc1 9329586 UHNHEASHKKHMBE-UHFFFAOYSA-N 389.415 2.665 0 40 GFAB Cc1ccn2ncc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c2n1 68664746 MQVMRSMUFMOGGL-UHFFFAOYSA-N 375.388 2.813 0 40 GFAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 8108789 DLDHGAMHDKJABJ-UHFFFAOYSA-N 377.418 2.666 0 40 GFAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNc1nc(Cl)nc2[nH]cnc12 9531095 AMUDWLFKRYEXIP-SNVBAGLBSA-N 383.843 2.647 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3nc(C)cc(C)n3)CC2)c1C 95971506 XZBVUZVTWKTNPN-INIZCTEOSA-N 383.496 2.634 0 40 GFAB COc1cc(NC(=O)CN2CCC[C@H](c3ncc[nH]3)C2)c(OC)cc1Cl 95962937 RWSHTNPTMUUJOH-LBPRGKRZSA-N 378.860 2.898 0 40 GFAB C[C@H]1CCCN(C(=O)c2ccc(N3CCN(Cc4cscn4)CC3)nc2)C1 95958804 NAHZMGYQEFZWPQ-INIZCTEOSA-N 385.537 2.732 0 40 GFAB COc1ccc2cc(CNC(=O)Cn3c(=O)n(C)c4ccccc43)ccc2c1 9943035 MPIVDVULOLUBKG-UHFFFAOYSA-N 375.428 2.818 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 121938025 ZIUMHDOZDRYPFJ-UHFFFAOYSA-N 386.473 2.528 0 40 GFAB CSc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cccs3)C2=O)c1 89914336 PEPIOBQRSIVUEN-QGZVFWFLSA-N 375.475 2.876 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccccc2)on1 24538124 DKELXNWEVKMYMI-ZDUSSCGKSA-N 385.445 2.822 0 40 GFAB C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1F 24170367 OPMVUKNKFWWSCG-LBPRGKRZSA-N 386.402 2.511 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OC)ccc1OCC 408697283 ILOQYOBWBTUNDM-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O 78443671 WPGMXQIUZTZMHI-UHFFFAOYSA-N 392.521 2.600 0 40 GFAB Cc1cc(=O)oc2ccn(CCCNC(=O)c3nc4ccccc4s3)c(=O)c12 1547212425 RGMVJSAMZHDCFI-UHFFFAOYSA-N 395.440 2.693 0 40 GFAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 72359677 JPXZFAUBVJUKNU-SFHVURJKSA-N 380.492 2.954 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2)Oc2ccc(Cl)cc21 38833152 SKSHOSLANQXBBE-MRXNPFEDSA-N 380.853 2.896 0 40 GFAB CC(C)c1ccc(OCC(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc1 77148587 IPSSIRPFTJNDGH-UHFFFAOYSA-N 398.507 2.825 0 40 GFAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(C)c(I)c(C)c2)C1 45889681 KVQQUFOJYCJQSF-LLVKDONJSA-N 387.217 2.824 0 40 GFAB CCCCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 224439788 IAITTYBLPHUAPE-UHFFFAOYSA-N 392.477 2.912 0 40 GFAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 224812792 DHYDVWNEYHRSGU-CQSZACIVSA-N 398.510 2.571 0 40 GFAB O=C1NCCN1Cc1ccccc1NC(=O)N1CCOC[C@@H]1c1ccc(F)cc1 571020442 WWKVISVQEDKVTA-LJQANCHMSA-N 398.438 2.956 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220120374 IYXZTQBCBDEPED-CQSZACIVSA-N 390.461 2.575 0 40 GFAB CCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(F)c2)c1 225116090 IJZJDUSVTKNEGN-UHFFFAOYSA-N 383.397 2.513 0 40 GFAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(N2C(=O)COC2=O)CC1 252500724 TUPGXUWHUBRPNH-UHFFFAOYSA-N 384.354 2.608 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]1c1cccc(OC)c1 257344131 ZVWOWMADMARTRW-QUCCMNQESA-N 385.464 2.950 0 40 GFAB Cc1ccccc1CC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257268288 MLAGETLNZNGFSM-PXNSSMCTSA-N 384.451 2.848 0 40 GFAB Cn1nccc1N1CCC[C@H](NCc2c(Cl)cccc2N2CCOCC2)C1 585085938 ZNGHTFRZFVZVAR-INIZCTEOSA-N 389.931 2.669 0 40 GFAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc3c[nH]nc3c2)CC1 585094294 DTZTURZNIMZMGJ-IBGZPJMESA-N 383.883 2.561 0 40 GFAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(Cl)c2)n1 604382061 BNYJALUBFSZOSP-UAFMIMERSA-N 389.927 2.944 0 40 GFAB biogenic,in-vitro Cc1cc(CN2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)cc(C(=O)O)c1O 257330898 XQMACIDOVNSQTD-HNNXBMFYSA-N 393.447 2.959 0 40 GFAB CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257244123 IJYIFPUDXQLDNS-QFIPXVFZSA-N 393.531 2.942 0 40 GFAB COCCNC(=O)c1cccc(NC(=O)N2CCOc3cc(F)ccc3C2)c1 626561962 XVCRPCZHOOLRLR-UHFFFAOYSA-N 387.411 2.628 0 40 GFAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2c(C)c(C(F)(F)F)nn2C)cn1 623087509 VYRKXBATRFTPFW-YPMHNXCESA-N 399.373 2.803 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)c1C(F)F 668145629 INWMFYHALSNARA-SMDDNHRTSA-N 385.436 2.817 0 40 GFAB CC[C@@H]1OC2(CCN(C(=O)NCc3cc(C)ccc3OC(F)F)CC2)NC1=O 1615589879 MGCNSBZTOBXJDS-AWEZNQCLSA-N 397.422 2.523 0 40 GFAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(c1ncccn1)CC2 96087744 PVQQFAWPDOGICV-UHFFFAOYSA-N 378.455 2.920 0 40 GFAB O=C(CNC(=O)OCc1ccccc1)NCc1nccnc1-c1cccs1 575620260 LIKLOAZPYYONSJ-UHFFFAOYSA-N 382.445 2.748 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2([C@H]3CCCN3)COC2)cc1 575624266 VBANXOVVOHJTAU-HXUWFJFHSA-N 386.517 2.707 0 40 GFAB Cc1cccc(CN2CC3(CCC2=O)CCN(C(=O)Cc2ccccn2)CC3)n1 585101894 IMQORLDYZKXAER-UHFFFAOYSA-N 392.503 2.759 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)nc1 1615153589 DSEWLXXESRWBLJ-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)nc1 1615158459 MXDKVBIELQMXRR-NRFANRHFSA-N 383.423 2.567 0 40 GFAB Cc1nc(NC(=O)CSc2nnc(Cc3ccccc3F)n2N)sc1C 11685331 XXVKGDFVPYTINV-UHFFFAOYSA-N 392.485 2.526 0 40 GFAB CCCc1nn(CC(=O)N[C@@H](C)c2ccccn2)c(=O)c2cc3ccsc3n12 12117614 RVYBHSCYHPCDIM-ZDUSSCGKSA-N 395.488 2.936 0 40 GFAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(CC2=Cc4ccccc4OC2)CC3)C1 12183129 BWJHSXLTUNWNNR-MRXNPFEDSA-N 392.503 2.840 0 40 GFAB COC(=O)Cn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 12417666 VGOBXPWDYJWPKM-VCHYOVAHSA-N 389.436 2.585 0 40 GFAB COC[C@@H](C)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 12558273 LKMJQSWBEWSTKL-NXEZZACHSA-N 380.539 2.642 0 40 GFAB COc1ccc(-c2nc(COC(=O)C3CCN(C(N)=O)CC3)cs2)cc1 12811153 NZWYWWRWSPYOEG-UHFFFAOYSA-N 375.450 2.653 0 40 GFAB O=C(Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O)NC1CCCC1 14001144 DPNIYFFRXPWAQX-UHFFFAOYSA-N 389.253 2.699 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2ccccc2)CC1 17320589 PKHWZZNDOZVBIN-UHFFFAOYSA-N 381.432 2.976 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210543 HHFWRFGKCJOBML-KEXUJGGDSA-N 392.455 2.685 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 19497939 BRKMZUWTHFBZSO-KUHUBIRLSA-N 378.476 2.765 0 40 GFAB COCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19579993 POXASSSGNGCMGQ-QHCPKHFHSA-N 380.488 2.849 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)NCc1nc(C2CCSCC2)no1 575607749 OZWTZCYFEZNIQT-UHFFFAOYSA-N 387.914 2.953 0 40 GFAB CC(C)(C)OC(=O)N1CC(O)([C@@H]2CCCCN2[C@H](CO)c2ccccc2)C1 613821244 DRBOJCULJIZLGA-MSOLQXFVSA-N 376.497 2.556 0 40 GFAB CC(C)(C)c1cc2nc([C@H]3CCN(C(=O)CCCn4ccnc4)C3)cc(O)n2n1 12219921 BZCFBCUQNUUBDW-HNNXBMFYSA-N 396.495 2.725 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)N2CCOc3cc(O)ccc3C2)CC1=O 553150908 KYHWTKZKVGOQPA-MRXNPFEDSA-N 396.443 2.565 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2csc3c2CCCC3)NC(=O)N[C@H]1CC 5968531 UGYUKDRUDAMQIP-ZDUSSCGKSA-N 392.477 2.692 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)c4ncccc4F)C[C@@H]3C2)nc2ccccc21 1888913890 JOAFOJRNTQFIFY-HUUCEWRRSA-N 379.439 2.799 0 40 GFAB COc1cc(CCC(=O)OCc2nc(CC(C)C)no2)cc(OC)c1OC 25247159 IXZOBXLKOFXRCK-UHFFFAOYSA-N 378.425 2.970 0 40 GFAB O=C(/N=c1\sccn1Cc1ccccc1F)[C@@H]1CCCN(c2cnccn2)C1 29787165 HRJKBWVBTQLUQE-UVPKWBSNSA-N 397.479 2.871 0 40 GFAB Cc1cccnc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984431 BEEDPRRNQUGVLB-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB O=C1COc2ccc(F)cc2CCCC[C@@H]2CN(C3CCOCC3)CC[C@@H]2N1 2037988645 BUPQKGLVKPWBKG-XLIONFOSSA-N 390.499 2.917 0 40 GFAB COc1ccccc1S(=O)(=O)N1CCC[C@@H](COc2cccc(C)n2)C1 1775969485 VDWOASNWQWLWFB-MRXNPFEDSA-N 376.478 2.878 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccc(Cl)cc4)[C@H]3C2=O)c1 101260820 JPSSDIFFXCRXLR-JKSUJKDBSA-N 386.795 2.855 0 40 GFAB COCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 101281940 FGBKZWZIRVIGGC-UHFFFAOYSA-N 376.416 2.503 0 40 GFAB Cc1ccccc1OCCN(C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 40001047 AKHBQTXPMOZJEF-UHFFFAOYSA-N 390.505 2.607 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccccc2)cc1 20068775 RTUQKAFUTSYXLN-ZWKOTPCHSA-N 395.488 2.671 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 18171391 FGRRJRISZJUKJE-UHFFFAOYSA-N 376.815 2.985 0 40 GFAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NCc1ccco1 894291 MXTHDKWYWINWDS-HNNXBMFYSA-N 399.472 2.577 0 40 GFAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 902224 IZCZYKKXHRPRKA-KRWDZBQOSA-N 393.553 2.778 0 40 GFAB CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1OCC 1223094 RQPYZMSWRFHPFI-UHFFFAOYSA-N 399.426 2.593 0 40 GFAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)COc1ccc2c(c1)CCC2 32809177 GCHPHIORKSPPKY-FQEVSTJZSA-N 396.512 2.772 0 40 GFAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 32870367 UJAXBBIXOXATGO-AWEZNQCLSA-N 377.444 2.849 0 40 GFAB COCCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)S[C@@H](C)C2 4107995 OJXTXSYRIHLZEH-LBPRGKRZSA-N 391.518 2.657 0 40 GFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCCCCCC1=O 32937155 GTJSIXALVFNBRN-UHFFFAOYSA-N 399.413 2.895 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 32910465 SGGGQRGIQYAUMP-OAHLLOKOSA-N 380.400 2.729 0 40 GFAB O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4858809 WXASHFIXFQJQBP-KRWDZBQOSA-N 385.493 2.728 0 40 GFAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)cc1C 6679784 IQXLWAGZWBYMBK-UHFFFAOYSA-N 395.502 2.913 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=O)c2cc3ccccc3c(=O)s2)CC1 12030371 JSSDELURXSZSHX-UHFFFAOYSA-N 378.453 2.860 0 40 GFAB COc1ccc([C@@H]2NC(=S)N3[C@H](c4ccc(OC)cc4)NC(=S)N23)cc1 8579975 DBYLDJATTOHJLI-HZPDHXFCSA-N 386.502 2.696 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1C 8732541 NOHRFWVGHCZVLR-HNNXBMFYSA-N 382.416 2.758 0 40 GFAB COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC 841937 JBDRPXUSKDZWCL-HNNXBMFYSA-N 379.434 2.507 0 40 GFAB Cc1nc(NC(=O)c2nc3nccc(C)n3n2)sc1-c1nccn1C(F)F 24032287 NYGIWWZQFVYTPR-UHFFFAOYSA-N 390.379 2.709 0 40 GFAB COc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)n2C 12322113 FLBFRQPSMNDMTD-LBPRGKRZSA-N 395.415 2.673 0 40 GFAB COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)NC(=O)NC4CC4)CC3)c2c1 47257163 CIICQPZEHKONMD-ZDUSSCGKSA-N 382.464 2.642 0 40 GFAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(N(C)C)cc4)n(C)c3nc12 2917398 JLOMSVYIQVUPHF-UHFFFAOYSA-N 375.432 2.813 0 40 GFAB Cc1cnc2c(S(=O)(=O)NC3CCN(C(=O)c4ccoc4)CC3)cccc2c1 24440393 XWZHPJUCMVGUPY-UHFFFAOYSA-N 399.472 2.719 0 40 GFAB Cc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c2ccc(F)cc2n1 25240602 DYQVNOSYGVGNED-UHFFFAOYSA-N 387.436 2.984 0 40 GFAB Oc1ccccc1N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 25721215 NAOFEPNTXGKARV-CVDCTZTESA-N 382.504 2.969 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)NCCC2=CCCCC2)c1=O 57478831 ZMGJLYZLRFQDMR-UHFFFAOYSA-N 375.494 2.641 0 40 GFAB CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)nn2)c1 57509413 WPOVSXYHVLBDCZ-UHFFFAOYSA-N 399.495 2.959 0 40 GFAB Cn1cnc2c1c(=O)n(CCCSCc1c(F)cccc1Cl)c(=O)n2C 12535565 CIWGEWAJFDVBTP-UHFFFAOYSA-N 396.875 2.550 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Br 119929273 DJDHVTMQNYHQIN-GREKMHCPSA-N 389.249 2.503 0 40 GFAB CCNc1nnc(SCc2nc(N)nc(Nc3ccccc3OC)n2)s1 8723819 DSXQDXVAFRBAKW-UHFFFAOYSA-N 390.498 2.782 0 40 GFAB COC(=O)/C=C1/CC[C@@H]2[C@@H](C(=O)C[C@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]23C)[C@H]1C 104222736 CFNLOOTYKUBPGV-MCTKWBELSA-N 392.492 2.677 0 40 GFAB CN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccco2)CC1 22938336 XIBXRJMVLLWQOQ-MRXNPFEDSA-N 392.297 2.761 0 40 GFAB O=C(c1ccccn1)N1CCCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 58305505 TZVHXAQJPRQJPJ-UHFFFAOYSA-N 379.439 2.755 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2F)C[C@@H](C)O1 58406721 OTHDCVHMAWRSMD-ZIAGYGMSSA-N 391.468 2.804 0 40 GFAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC(C)CC1 2355624 REKRHIQCDAALNO-UHFFFAOYSA-N 389.452 2.642 0 40 GFAB Nc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl 3371877 OVUVLPRWIGZZQW-UHFFFAOYSA-N 389.839 2.554 0 40 GFAB CCCCn1c(SCC(=O)NC(C)C)nc2cc(C(=O)OC)ccc2c1=O 3370334 OCWLDGMCHCGZKU-UHFFFAOYSA-N 391.493 2.600 0 40 GFAB Cc1ccccc1-c1nnc(SCC(=O)NC(=O)Cc2ccccc2)n1C 3370469 BXCYQMSXFSYMBB-UHFFFAOYSA-N 380.473 2.768 0 40 GFAB O=c1c2cccnc2ncn1C[C@H](O)COC(c1ccccc1)c1ccccc1 12845237 XUSQZIOFUFXABO-IBGZPJMESA-N 387.439 2.959 0 40 GFAB CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007547 VBJZANWFYIZIFE-GOSISDBHSA-N 378.469 2.632 0 40 GFAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 12936156 ZNVIJQMAKIWLNN-LLVKDONJSA-N 389.315 2.762 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C2=O)cc1 6114720 FGRKMRARQPFZRU-UHFFFAOYSA-N 395.415 2.627 0 40 GFAB CCOc1ccc(-c2csc(NC(=O)C[C@H]3CCS(=O)(=O)C3)n2)cc1 4392335 VJEPBJHRSKJEMC-GFCCVEGCSA-N 380.491 2.972 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2C)s1 4736039 JWMVOJJQTRJRJZ-UHFFFAOYSA-N 390.494 2.635 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 14932420 ZSRTZXAUXBEOFJ-UHFFFAOYSA-N 398.507 2.556 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1OC 113957055 DYNKITNDRIDMQY-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB Cc1cccc(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1 7134296 KLNWCXBRYLOEJL-CYBMUJFWSA-N 379.507 2.760 0 40 GFAB CC(C)OCCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 20549867 PNIQNTFZFYQPTF-UHFFFAOYSA-N 376.409 2.518 0 40 GFAB Cc1cc(=O)c(C(=O)NCCN2c3ccccc3C[C@H]2C)nn1-c1ccccc1 72045577 HUAOVLJRSJNZSG-MRXNPFEDSA-N 388.471 2.722 0 40 GFAB COc1ccc(CCNC(=O)COc2ccc(-c3noc(C)n3)cc2)cc1OC 7786977 ONRSSVYKJHXJTF-UHFFFAOYSA-N 397.431 2.800 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 9742366 XGFJKYRSDYODLD-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB Cn1nc(CC(=O)OCc2cc(-c3cccs3)on2)c2ccccc2c1=O 7825631 IMAXNJOVUWEWLY-UHFFFAOYSA-N 381.413 2.936 0 40 GFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)NCc1ccco1 7990799 WXDVXGCVEPOFQS-QGZVFWFLSA-N 399.447 2.604 0 40 GFAB C[C@H](NC(=O)CNC(=O)COc1ccccc1)c1ccc(Br)cc1 8086544 UMRAYTARABUPRE-ZDUSSCGKSA-N 391.265 2.822 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 8245905 IMKWYSKCXIOMTP-MRXNPFEDSA-N 384.407 2.642 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 8267095 LQOQBDVYDAQZGQ-FPTDNZKUSA-N 395.434 2.961 0 40 GFAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409126399 NUERXPAFFCIZCA-IZZDOVSWSA-N 386.223 2.969 0 40 GFAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)oc2ccccc12 79023084 ARPADJNZEVJMPD-UHFFFAOYSA-N 386.429 2.604 0 40 GFAB COc1cccc2c1ccn2CCC(=O)N1CCN(CCc2ccccn2)CC1 79474270 MCYQBXSJHNFAEW-UHFFFAOYSA-N 392.503 2.822 0 40 GFAB O=C(c1ccc(N2C(=O)c3cnncc3C2=O)cc1)N1CC[C@H](c2ccccc2)C1 408976479 RNRULUMVTFECRM-KRWDZBQOSA-N 398.422 2.907 0 40 GFAB Cc1c([C@@H](C)NC[C@H](Cc2ccc(F)cc2)C(N)=O)nnn1-c1ccc(F)cc1 95996195 ASLHZULZYOICOS-CJNGLKHVSA-N 399.445 2.849 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 409204085 ARNQTYAVWMWDSK-UHFFFAOYSA-N 380.441 2.920 0 40 GFAB O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccco1 31903396 UXWIFANGSBVKJZ-UHFFFAOYSA-N 380.448 2.962 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408605699 NHOLHWVQNXYSNH-UHFFFAOYSA-N 382.526 2.937 0 40 GFAB COc1ccc(OC)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1 409097262 LYPUFTIKAQLYTE-GZTJUZNOSA-N 395.415 2.544 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 216490583 NZCXPRHWORKOLO-UHFFFAOYSA-N 377.462 2.880 0 40 GFAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72355548 RXEDHTRNMOASRV-QGZVFWFLSA-N 382.512 2.588 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1F 30867274 PRMAGWDJATUQTC-UHFFFAOYSA-N 385.848 2.731 0 40 GFAB C[C@H]1CCc2cc(F)ccc2N1C(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816027 XFVDUHNRSRQAOD-ZDUSSCGKSA-N 396.418 2.994 0 40 GFAB CCOc1ccc(CCC(=O)N(C)Cc2cc([C@@H]3CCCNC3)nn2C)cc1 72370177 NVGYAAWPJCXTKH-GOSISDBHSA-N 384.524 2.877 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2cccc(Cl)c2)C1(CO)CO 218472872 FUCYFRQVLPNFRG-HOTGVXAUSA-N 387.284 2.904 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225882125 TYQXIDNOPVCLEA-UHFFFAOYSA-N 389.886 2.762 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1OC 222899876 XJVXXXHFQFBUDA-KRWDZBQOSA-N 392.477 2.887 0 40 GFAB C[C@H](C(=O)N1CCc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220456407 OJKNWYTYLZUTTB-GFCCVEGCSA-N 380.416 2.709 0 40 GFAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 220269015 UQRIMZLUKLRXLI-ZDUSSCGKSA-N 390.461 2.771 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2OC)CCCC3)CC1 224767894 BGDYPZDBUXGHMG-UHFFFAOYSA-N 381.494 2.538 0 40 GFAB CCN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1cc(C)ccc1C 225931711 BQKZPFSLSOWHTJ-UHFFFAOYSA-N 388.489 2.740 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 223543890 UMUOGVNDEFTWNA-INIZCTEOSA-N 382.460 2.901 0 40 GFAB COc1ccc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1 95478446 CBJCMQLDMUEQIG-INIZCTEOSA-N 379.464 2.542 0 40 GFAB CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(Cc2ccccc2)CC1 96117963 YQFIHJSLCPMDFG-UHFFFAOYSA-N 390.487 2.944 0 40 GFAB Cc1ccc(OCC(=O)N[C@@H](C)C(=O)O)c(-c2cc3ccccc3c(=O)o2)c1 256028068 RIPHODJQLAKJBO-ZDUSSCGKSA-N 381.384 2.737 0 40 GFAB CC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(OC)cc4OC(C)(C)[C@@H]3C[C@H]2C1 257206125 BBYYSLGYQMQCHN-BIJUBFLFSA-N 388.508 2.898 0 40 GFAB CCCC[C@H]1Oc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2NC1=O 257173484 OQVXEMMWGSCEGR-CYBMUJFWSA-N 382.467 2.537 0 40 GFAB Cc1cc(C(=O)Nc2ncc(C3CCNCC3)s2)n(C2CCOCC2)n1 638329249 QHDXLICNFIMBCQ-UHFFFAOYSA-N 375.498 2.719 0 40 GFAB Cc1nnc2c(N3CCC(NC(=O)c4cc5ccccc5o4)CC3)nccn12 390830876 OAZDKSILRPMEMH-UHFFFAOYSA-N 376.420 2.578 0 40 GFAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cccc(O)c2)C3)n1 575402802 CIAITYZDQMXGJQ-MRXNPFEDSA-N 383.448 2.581 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@H]3CCCO3)C2)cc1)C1CC1 585102253 VNFNPYTTZNSPTE-NFBKMPQASA-N 397.519 2.895 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)n1 47328418 HZNXASYZLQYEQW-UHFFFAOYSA-N 377.372 2.824 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](Oc2nccs2)C1 585320806 TVFWDUJSAICBQU-NSHDSACASA-N 394.396 2.884 0 40 GFAB C[C@@H](C(=O)N1CCc2ccnc(N)c2C1)N1CCC(Cc2ccccc2)CC1 1170257778 NVWQHXPXRCCVCL-KRWDZBQOSA-N 378.520 2.892 0 40 GFAB O=C(NCc1ccccc1)c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1 5059021 DMBLWFRMZBPMLG-UHFFFAOYSA-N 394.822 2.559 0 40 GFAB CCC(=O)C1(N2CCOCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 5757894 PLCMLWPWSFBZEX-UHFFFAOYSA-N 390.499 2.935 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)C1CCCCC1 5791892 GLNLAXOAVHORFG-FQEVSTJZSA-N 393.434 2.913 0 40 GFAB COCCn1c(C)cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c1C 12122488 WSZRXHMEQICJFT-UHFFFAOYSA-N 393.491 2.867 0 40 GFAB C[C@@H](C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)n1nnc2ccccc21 12184643 STYCGMWHOXAPRG-AWEZNQCLSA-N 391.431 2.764 0 40 GFAB COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCCCCC1 15593308 RPRUMBNDOIWCDL-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCc2csc(-c3ccccc3)n2)cs1 18387371 QTXGZMNKUZPAPP-UHFFFAOYSA-N 380.472 2.876 0 40 GFAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cc2)cn1 4861429 IROMPJVDHMRGRE-UHFFFAOYSA-N 376.482 2.845 0 40 GFAB CCn1cc(C(=O)CN2CCC(O)(Cn3ccnc3C)CC2)c2ccccc21 12143470 MOIKPAMESTWJAR-UHFFFAOYSA-N 380.492 2.876 0 40 GFAB COc1ccc(C)c2sc(N3CCC(NS(=O)(=O)C4CC4)CC3)nc12 1889148823 BOJFYYDILNFMIH-UHFFFAOYSA-N 381.523 2.664 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)nc1C 1889149208 KBUDCZLZKNIZML-KBPBESRZSA-N 383.905 2.618 0 40 GFAB Cc1nc(N2CCN(c3nc4ccccc4s3)CC2)cc(-n2cccn2)n1 1889226161 LBTPAHCJQQJBJJ-UHFFFAOYSA-N 377.477 2.907 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 32863262 HYQIELBVKPCDKZ-YOEHRIQHSA-N 399.944 2.935 0 40 GFAB Cc1cccc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)c1 2087046252 CAHXZSRDDTUHLR-SFHVURJKSA-N 378.480 2.640 0 40 GFAB CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2ccc(F)cc2s1 4359452 GZTSLDLZWDZBOD-UHFFFAOYSA-N 379.457 2.998 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nc3c(F)cccc3s2)CC1 4583517 DVABRADQTPWUKB-MRXNPFEDSA-N 399.447 2.924 0 40 GFAB NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4852044 WQISRTXYCLGUGV-LLVKDONJSA-N 381.363 2.662 0 40 GFAB COc1ccccc1CCNC(=O)Cn1nc(-c2cc(C)ccc2C)ccc1=O 5410200 FJDOMQVJHLARHD-UHFFFAOYSA-N 391.471 2.895 0 40 GFAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n(C(C)C)n1 11695205 GSGITHDMCVBJLE-AWEZNQCLSA-N 396.538 2.873 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@H]2C)cc1 20167728 GNJKFKNQBYNZNU-YOEHRIQHSA-N 391.468 2.587 0 40 GFAB O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 63386323 ACMOGKXGKBBCOW-MSOLQXFVSA-N 396.940 2.877 0 40 GFAB COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)CC1 20189511 XVDULJGHVNITJW-HXUWFJFHSA-N 393.487 2.766 0 40 GFAB COC(=O)c1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)s1 31747904 AXAFODHDYCUVDT-UHFFFAOYSA-N 381.475 2.521 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1-n1cnnn1 31994251 GUONKTYXGTUXTC-HNNXBMFYSA-N 396.476 2.666 0 40 GFAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(Cl)cc1 21023586 GEKWBMKPUYACLV-UHFFFAOYSA-N 397.797 2.989 0 40 GFAB COC(=O)[C@@](NNc1ccccc1)(NC(=O)c1cccc(F)c1)C(F)(F)F 2050360 MOZHFDLHJUGQGC-INIZCTEOSA-N 385.317 2.604 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 800509 NGAGEKAWFMRQEO-HNNXBMFYSA-N 382.416 2.620 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H](C(=O)N1CCOCC1)c1ccccc1)CC2 32751353 SZLHFPXTYUQLHY-JOCHJYFZSA-N 396.487 2.662 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 871714 DNTXYZAIWLKDGN-HXUWFJFHSA-N 386.517 2.943 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 871938 QAPZSAAXEKMHHO-FQEVSTJZSA-N 398.484 2.794 0 40 GFAB C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 32723169 MHIDCLAUFDIPMX-ZWKOTPCHSA-N 385.483 2.920 0 40 GFAB CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc2oc(=O)ccc2c1 32916527 ZZYKZJBGPZYVBW-UHFFFAOYSA-N 380.510 2.782 0 40 GFAB COCc1c(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)oc2ccccc12 7836345 NJSDYDDGNKNTKF-LLVKDONJSA-N 376.409 2.749 0 40 GFAB COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(C)=O)[C@@H]2C1=O 37237626 ILKCNAXVAYUBDB-IVAOSVALSA-N 388.423 2.800 0 40 GFAB biogenic NC(=O)Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1C1CC1 23350519 AHUYHSBQHNIIKO-UHFFFAOYSA-N 381.461 2.525 0 40 GFAB CCOc1ccc(-n2ncc(C(=O)N[C@H]3CCOc4ccccc43)c2C)nn1 23693801 BYZVJXFCZIWYFO-INIZCTEOSA-N 379.420 2.623 0 40 GFAB COc1ccccc1C(=O)NCC(=O)N1CCC(C(=O)c2ccccc2)CC1 9987150 CJDGOIDOHFYIKK-UHFFFAOYSA-N 380.444 2.547 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 57997603 QIKGOPGQROVKMM-LBPRGKRZSA-N 378.450 2.566 0 40 GFAB O=C(CCCc1nc2ccccc2s1)OCn1nnc2ccccc2c1=O 3286538 MWFPEBGGEZHDPZ-UHFFFAOYSA-N 380.429 2.925 0 40 GFAB CC(C)(C)NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491957 IWDXTLPLSWZXSA-UHFFFAOYSA-N 391.880 2.782 0 40 GFAB O=C(CCn1ccccc1=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 108310875 HWRSYKBDCFMOLD-UHFFFAOYSA-N 377.400 2.710 0 40 GFAB C[C@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12621597 PAVWDBLISWXAER-OAHLLOKOSA-N 376.478 2.815 0 40 GFAB CC(C)COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1 57996924 XZJMZPYTMQJPKE-IBGZPJMESA-N 394.537 2.887 0 40 GFAB CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1 28283988 FFVIJWHISBSCPU-CABCVRRESA-N 382.507 2.534 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 28209504 GIKVTTBJCNNUHX-INIZCTEOSA-N 392.864 2.967 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)c1 408673830 XTEGJFTZFRWHJH-OAHLLOKOSA-N 392.411 2.607 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1nnn(-c2ccc(C)cc2)c1C 48368281 UCIZZGSXOMUAMW-UHFFFAOYSA-N 396.447 2.840 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccc(OCC)cc2)o1 12801826 JTYFAWBNDVUFGG-UHFFFAOYSA-N 393.465 2.687 0 40 GFAB C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(c2nnc3ccccn23)CC1 70754662 PJIIEKMMMKMNSJ-ZDUSSCGKSA-N 384.871 2.984 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1 3560349 IBGAYBPEVVTHDV-KRWDZBQOSA-N 379.460 2.823 0 40 GFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCC(C)C)c1ccc(C)cc12 8843734 FZXVQMKDXHFESA-IBGZPJMESA-N 388.493 2.543 0 40 GFAB O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3613562 HEBNYIQNVKFXOT-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB Cc1ccc(-c2cnc3n2CC2(CCN(C(=O)N4CCOCC4)CC2)C3)cc1 306123288 AJFKEJAECDUVCB-UHFFFAOYSA-N 380.492 2.949 0 40 GFAB COCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 13944442 ZDINZKWODCLMOA-JTQLQIEISA-N 380.857 2.605 0 40 GFAB CSCC[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)C(=O)O 9053271 NNEYZVAPYAPTBP-AWEZNQCLSA-N 377.466 2.923 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CCCCN1C(=O)c3ccccc3C1=O)C2=O 4514793 AQAHFZIXMAZNLH-QKKBWIMNSA-N 383.448 2.564 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc(Cl)s1 6552738 OINZBIOUQXNPBE-KRWDZBQOSA-N 376.821 2.814 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2)cc1 6602796 OYGZHKGIUNXESI-UHFFFAOYSA-N 395.868 2.606 0 40 GFAB CCn1c(=O)c2cc(Br)ccc2n(CC(=O)c2ccccc2)c1=O 6764297 JFBIFXUXJXIKCN-UHFFFAOYSA-N 387.233 2.829 0 40 GFAB O=C(CCNC(=O)c1ccco1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 6881171 ALSJZFJLWTXVQW-UHFFFAOYSA-N 393.325 2.638 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCCCCC1 4999266 RSKDEMOOIYERPK-UHFFFAOYSA-N 392.477 2.783 0 40 GFAB CC(C)c1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1 4971891 RSLXMSALSRCNKE-UHFFFAOYSA-N 398.492 2.614 0 40 GFAB COC(=O)c1ccc(F)c(CNC(=O)CCCNC(=O)NC2CCCCC2)c1 96007946 KJHIUKJZOJIZAM-UHFFFAOYSA-N 393.459 2.641 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1 78877022 ZKKKZYBEKSBJOK-GOSISDBHSA-N 381.432 2.567 0 40 GFAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1OC 29112287 OPVVEKNDCPRMDC-OAHLLOKOSA-N 386.423 2.873 0 40 GFAB Cc1cccc(-n2nnnc2SCc2cccc(S(=O)(=O)N(C)C)c2)c1 9459986 YAMCZDHOUYZFQC-UHFFFAOYSA-N 389.506 2.513 0 40 GFAB COc1cccc(-n2c(=S)[nH]c(O)c([C@@H]3NCCc4ccccc43)c2=O)c1 17196532 AXLUQHVWBIKZJT-QGZVFWFLSA-N 381.457 2.844 0 40 GFAB CCN(C(=O)NCc1ccc(OC)c(OC)c1)C1CN(C(=O)OC(C)(C)C)C1 84761214 KJTOUVPBSBYWJB-UHFFFAOYSA-N 393.484 2.855 0 40 GFAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(C)nc4)CC3)[nH]n2)cc1 98212552 MEKZOPAQDMGTJW-UHFFFAOYSA-N 377.448 2.751 0 40 GFAB COC(=O)c1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)cc1 85413026 UNXXQSFSJSRLQN-CRAIPNDOSA-N 380.352 2.646 0 40 GFAB CCOC(=O)Cn1cccc(NC(=O)c2cc(C)nc3ccc(C)cc23)c1=O 95973804 JEGNRVDSAUROJE-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392239 QMDUIKBHUZXGAN-LLVKDONJSA-N 379.309 2.919 0 40 GFAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccco2)CC1 306140777 VDZUTOMCXYYKTB-UHFFFAOYSA-N 385.512 2.876 0 40 GFAB CN(C)C(=O)C[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)c2ccc(Cl)cc21 503081475 QJZXJXQWXYNDAD-CYBMUJFWSA-N 384.929 2.547 0 40 GFAB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cnccn1 38565068 ANNRVHJMRZBXFT-INIZCTEOSA-N 391.449 2.622 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 30943105 VWWQFDJTPGXDMM-UHFFFAOYSA-N 395.415 2.988 0 40 GFAB O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC([C@H]2CCNC2)CC1 519773655 PKUXPTRIBUSSGO-INIZCTEOSA-N 377.535 2.820 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)o1 538498750 WENUVQPQKWOOOX-UHFFFAOYSA-N 390.417 2.661 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636463 JYZHPMMISDMPNP-OAHLLOKOSA-N 393.358 2.563 0 40 GFAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCc1ccc(O)cc1 1565524445 HMBZXALHZGIHOL-UHFFFAOYSA-N 394.471 2.646 0 40 GFAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)C(=O)Nc1cccnc1 70899832 CHGXXKOJCZMGLA-UHFFFAOYSA-N 395.488 2.663 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223261675 OMIFSMXLCBXSCY-VDGAXYAQSA-N 399.564 2.596 0 40 GFAB O=S(=O)(c1ccc(Br)cc1)N1CCC(Cn2ccnc2)CC1 77099448 UNQYHIPJRVZBAZ-UHFFFAOYSA-N 384.299 2.747 0 40 GFAB Cc1nc(-c2cccc(NC(=O)c3ccc(N4CCOCC4)nn3)c2)cs1 77099904 ZFESEIGEGKDPPL-UHFFFAOYSA-N 381.461 2.997 0 40 GFAB O=C(CCCOc1cccc2ccccc12)N1CCN(C(=O)[C@@H]2CCCO2)CC1 46736447 KLDQMMOARORFOA-NRFANRHFSA-N 396.487 2.849 0 40 GFAB O=c1[nH]c2cc(-c3nc(-c4ccncc4)no3)ccc2c(=O)n1Cc1ccccc1 225547820 WRJIZLWNGZASCG-UHFFFAOYSA-N 397.394 2.850 0 40 GFAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 44904124 DPBCFYLJWCKQLF-QGZVFWFLSA-N 382.432 2.826 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 96224982 MUMOWAILCBYFSY-FQEVSTJZSA-N 382.395 2.611 0 40 GFAB O=S(=O)(c1ccccc1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 247316701 KNEBUBIAAHPZSF-INIZCTEOSA-N 376.503 2.547 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(CN)C(=O)O)cc1 242575070 NQWHGFAYSLADNL-JZXOWHBKSA-N 379.865 2.618 0 40 GFAB O=C(COc1ccc(F)cc1F)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257234997 GVYMJZSDEIQSBQ-LPHOPBHVSA-N 395.377 2.914 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1/C=C\c1ccccc1 254572849 VSLFZEBFPWQYRR-NRXPATIISA-N 386.473 2.866 0 40 GFAB Cc1ccccc1-n1nc(C(=O)O)c(N2CCN(Cc3ccccc3)CC2)n1 256046133 CZKNSYKDSLCYBI-UHFFFAOYSA-N 377.448 2.596 0 40 GFAB Cc1ncc2c(n1)CC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)c1ncco1)C2 654364976 OJEQCSVOXJMQSF-MJGOQNOKSA-N 377.448 2.914 0 40 GFAB CCCc1c(NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cnn1-c1ccccc1 666638992 SSLPJDVNUMXROR-HUUCEWRRSA-N 390.509 2.912 0 40 GFAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cc(-c2cccs2)[nH]n1 390829786 GPLQTITVAKLLMO-SECBINFHSA-N 396.398 2.784 0 40 GFAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NS(=O)(=O)c1cccc(-c2nnco2)c1 585094026 WCXREQAXNYKPBV-BBRMVZONSA-N 397.403 2.757 0 40 GFAB COc1cc2c(cc1CN1CCc3nc(-c4cccnc4)nc(O)c3C1)OCO2 12122057 BLRIOCJNHDLODY-UHFFFAOYSA-N 392.415 2.540 0 40 GFAB COc1ccc(OC)c(CC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c1 12291883 MOUHHQHTDFRNJW-UHFFFAOYSA-N 384.461 2.841 0 40 GFAB COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 14183319 JQSZWJRZIWGWLX-GOSISDBHSA-N 376.478 2.945 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc(F)cc3)ccc21 15836645 VBSOOMFZKTWCBY-OAHLLOKOSA-N 376.409 2.796 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529718 MOQSAHOVJOVCIP-YWNPBTLJSA-N 392.455 2.767 0 40 GFAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCN1CCOCC1 19589134 VYMXLOFCZIOVNJ-MQSCRBSSSA-N 385.552 2.578 0 40 GFAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cnn(C)c2)CCO1 19702903 ODHPHGCIEFZBBZ-INIZCTEOSA-N 399.520 2.742 0 40 GFAB COC(=O)C[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 514287186 QLTVMGWHKJKUFL-SFHVURJKSA-N 383.400 2.884 0 40 GFAB COc1cccc(CNC(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)c1 225737493 OKGGVKOTSYTHDO-UHFFFAOYSA-N 395.507 2.832 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CN)C2)n1 627001774 JPEPUTAVCQSPHE-HZPDHXFCSA-N 395.429 2.849 0 40 GFAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)Cc2ccccc2F)cc1 12231138 QHIAHSXHSMYCBF-UHFFFAOYSA-N 392.434 2.843 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)CCc3c(C)noc3C)cc2n1 12276507 OENVEBTUDUQYJY-KRWDZBQOSA-N 383.452 2.898 0 40 GFAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCC4)[C@H]2C1 12220127 ZCSVAVLACQFOFP-QUCCMNQESA-N 390.549 2.833 0 40 GFAB CN(C)CCNC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12325619 GREFWHXYHQEAOF-UHFFFAOYSA-N 393.434 2.637 0 40 GFAB C/C(=C\[C@H](C)C[C@@H](C)c1ccc(C)cc1/C=C/CO)C(=O)N[C@H](CO)C(=O)O 257371313 OLHMPWBLHDQGDT-NBVBPKMYSA-N 389.492 2.638 0 40 GFAB biogenic,in-vitro CCC(=O)c1ccc(OCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 3417820 JBVGRFNWZCDXAN-UHFFFAOYSA-N 380.444 2.643 0 40 GFAB O=C(c1cc(C2CC2)ncn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1888843758 HETYOIFZDHSRNW-UHFFFAOYSA-N 377.370 2.730 0 40 GFAB Fc1cnc(OC[C@@]23CCC[C@H]2CN(c2ncc(Br)cn2)C3)nc1 1888852982 FULUQENYWXXFMX-ZBEGNZNMSA-N 394.248 2.854 0 40 GFAB Cc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n2nc(C)cc2n1 1888875792 UDZLLIXDDAEXCS-UHFFFAOYSA-N 391.401 2.790 0 40 GFAB Cc1ccc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)nc1 2037985121 YFCIVTQPWWXBLD-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(C(C)C)C[C@H]2c1ccccc1 1565541867 GBDRMURGYFBMTR-PGRDOPGGSA-N 397.475 2.537 0 40 GFAB O=C(N1Cc2ncn(CC3CC3)c2[C@@H](COCc2cccnc2)C1)C1(F)CC1 1565541742 SWGIJMZDRMFLDM-QGZVFWFLSA-N 384.455 2.833 0 40 GFAB Nc1nc(SCc2cccnc2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 5082232 XXAMAULEGIHNNK-UHFFFAOYSA-N 389.387 2.570 0 40 GFAB COCCNC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852304 KREJKGNGFPCXHI-UHFFFAOYSA-N 399.925 2.832 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccn1C)N1CCCC1 11846946 YAFQNQPSSVMMSP-GOSISDBHSA-N 391.537 2.848 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3OC)n2C)cc1 12422563 BPKGWHRKXYSQBP-UHFFFAOYSA-N 386.481 2.517 0 40 GFAB Cc1cc(N2C[C@H]3CN(C(=O)Cc4ccc(C(F)(F)F)cc4)C[C@@H]3C2)ncn1 1889390303 PNSKSSILCKEBJC-HOTGVXAUSA-N 390.409 2.941 0 40 GFAB C[C@@H](NC(=O)C(=O)NCc1ccc([C@@H](O)c2ccco2)s1)c1ccccc1 206687178 MOEJXAAYJCEOQG-ACJLOTCBSA-N 384.457 2.916 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2ccc3nsnc3c2)c2ccc(F)cc2)CC1 38630937 KHPUZLYVDIFWRS-IBGZPJMESA-N 399.495 2.549 0 40 GFAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 247939485 FZECIAXZDKRWLL-FASAQXTFSA-N 393.447 2.954 0 40 GFAB CCN(CC)CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC 11691653 FILFQLKFVITNHK-UHFFFAOYSA-N 389.521 2.830 0 40 GFAB COc1ccccc1N1CCN(C(=O)Cc2csc(-n3cccc3)n2)CC1 32646417 KGLHWHRIVWPSPH-UHFFFAOYSA-N 382.489 2.834 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3F)C2=O)cc1 49026163 BFGSLOCQIDPPAW-UHFFFAOYSA-N 385.395 2.883 0 40 GFAB C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1 24714471 BBLLKGTUDJBAPT-OAQYLSRUSA-N 392.547 2.714 0 40 GFAB O=C(c1cn(Cc2ccccc2)nn1)N1CCCN(Cc2cccs2)CC1 40089152 QLTFHRPJJNSGJN-UHFFFAOYSA-N 381.505 2.736 0 40 GFAB O=C(NCCc1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40121849 ZOQUEJHJIUVRJV-UHFFFAOYSA-N 393.472 2.970 0 40 GFAB CCCCn1c(=S)[nH]c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20267484 DPIWXDVLBXDSCF-MRXNPFEDSA-N 391.493 2.664 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 8037023 SINVINWAXRQPAF-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 42384765 XFBXOPCQPTWSOT-KRWDZBQOSA-N 397.450 2.605 0 40 GFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1 9654199 KTBRKTOCFWYSKX-UHFFFAOYSA-N 389.401 2.848 0 40 GFAB Cc1nn2c3ccccc3n(CC(=O)c3ccc(Br)cc3)c2nc1=O 972745 OAIVGBJLZOIDJR-UHFFFAOYSA-N 397.232 2.998 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 42919642 MJWDJXDNUATRKY-OAQYLSRUSA-N 391.471 2.909 0 40 GFAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCCc1cccc(F)c1 24320120 BUNLAXSNPIXXHU-LBPRGKRZSA-N 384.860 2.505 0 40 GFAB CCOC(=O)/C=C1\C[C@@H]2[C@@H]3C/C(=C\C(=O)OCC)[C@@H]4[C@@H]3C3C5[C@@H]4[C@@H]4O[C@@H]4[C@H]5[C@@H]1[C@H]32 104293342 PQZHGKNYSHTADS-KBMQGMRYSA-N 396.483 2.757 0 40 GFAB COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 1418576 DGOLKAOWUMVYDF-GOSISDBHSA-N 389.415 2.992 0 40 GFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N1CCCCCC1 12634020 GACYUTOMKMUORN-HNNXBMFYSA-N 397.566 2.749 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCSc2c(F)cccc21 12622399 WYLZBXAITRIWAZ-CQSZACIVSA-N 388.420 2.638 0 40 GFAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2157484 VGTIGKWWIQGPNY-STQMWFEESA-N 375.421 2.801 0 40 GFAB biogenic Cc1ccc2nc(CNc3ccc(N4CCCCC4)cc3C(N)=O)cc(=O)n2c1 11010232 MJUSCNZOEJWWRS-UHFFFAOYSA-N 391.475 2.704 0 40 GFAB O=C(COC(=O)Cc1csc(-c2ccsc2)n1)NC(=O)c1ccco1 11511835 JKFKKPLLTQONGJ-UHFFFAOYSA-N 376.415 2.507 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 3407593 DJHHOMKFYBMHIV-AWEZNQCLSA-N 383.448 2.795 0 40 GFAB O=C(COc1ccccc1CNCCc1ccc2c(c1)OCO2)N1CCCC1 12921143 IFEMHUKZQGCHAX-UHFFFAOYSA-N 382.460 2.749 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(CC1CC1)C[C@@H]2c1cccnc1 306140246 UNVDHILINJPFTH-TZIWHRDSSA-N 383.517 2.750 0 40 GFAB CCOc1ncccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 13135712 CLHCXXPJROCMEN-UHFFFAOYSA-N 380.370 2.857 0 40 GFAB C[C@H]1CN(C(=O)/C=C/c2ccc(I)o2)CC(C)(C)O1 49179745 MQAXOJYXCKSDMJ-STUBTGCMSA-N 375.206 2.923 0 40 GFAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccncc1 6137681 XRBDIGFPQQMDPD-UHFFFAOYSA-N 397.460 2.769 0 40 GFAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2nnnc2N1 8769295 OTXGVWHCJXGSLS-QGZVFWFLSA-N 380.839 2.932 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(OC)c(OC)c1 6219986 UDJWASAFQZCGHN-UHFFFAOYSA-N 389.404 2.689 0 40 GFAB COc1ccccc1CC(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 6200383 OTUKZCLHBYHZMC-INIZCTEOSA-N 394.427 2.651 0 40 GFAB CC(C)[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1cnc2ccccc2c1=O 5242085 DHRPAZVZUGXLIV-NRFANRHFSA-N 390.487 2.942 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCCCCn2nnc3ccccc3c2=O)cc1 5269888 DAKTVKFGMJXJDX-UHFFFAOYSA-N 393.447 2.949 0 40 GFAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccncc1 14186302 FVCCXLSTWFQASQ-UHFFFAOYSA-N 381.413 2.705 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CCN2C(=O)CSc3ccccc32)c1C 14199399 HBYVEUYGBORXEV-UHFFFAOYSA-N 397.500 2.887 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC(C)(C)C)CC2)cc1C 14244854 IUTJGWXUXFEXGM-UHFFFAOYSA-N 384.567 2.668 0 40 GFAB CC(C)CCC[C@@H](C)NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 14245867 XCCUVRYIFBLBPH-MRXNPFEDSA-N 381.480 2.913 0 40 GFAB Cc1cc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc2c(C)cccc12 5581511 DWEWBBUGIQGLHE-SFHVURJKSA-N 378.519 2.637 0 40 GFAB C[C@@H]1Cc2cc(C(=O)Oc3ccc(-c4nnco4)cc3)ccc2N1S(C)(=O)=O 14633531 GSZYMCKJWVUYQW-GFCCVEGCSA-N 399.428 2.666 0 40 GFAB CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 14710400 DEQKCMQPDPXIOX-UHFFFAOYSA-N 375.446 2.823 0 40 GFAB CCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 6751883 YLQZZZOZXDLLCW-UHFFFAOYSA-N 394.927 2.855 0 40 GFAB O=C(COC(=O)c1cc2ccccc2cc1O)NCc1ccc2c(c1)OCO2 5740173 FCVXFOYROXUKOY-UHFFFAOYSA-N 379.368 2.747 0 40 GFAB C[C@H]1CCc2sc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2C1 5773216 NVIYTCQGYIESEG-NSHDSACASA-N 376.434 2.649 0 40 GFAB O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1 19792806 KMYBXHGUMMVSKW-UHFFFAOYSA-N 381.863 2.828 0 40 GFAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 15359327 KWGYSFPGBWTGLQ-SFHVURJKSA-N 388.489 2.686 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)NC[C@@H]2COc3ccccc3O2)o1 7218893 GORYALABXIVQPM-GFCCVEGCSA-N 387.417 2.686 0 40 GFAB Cc1ccc(N2CCN(C(=O)CCc3c(C)nn4cnnc4c3C)CC2)c(C)c1 71287020 WTQXFWYTFRKXSZ-UHFFFAOYSA-N 392.507 2.639 0 40 GFAB CC(C)n1nccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 7982915 ZBQWHKGAPUCGCF-UHFFFAOYSA-N 387.421 2.974 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1 8289915 ISLKYRILFAZELW-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB NC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8310360 OMSLRPKICFWFGS-GOSISDBHSA-N 395.459 2.722 0 40 GFAB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C)c1C 72301377 GQNPTXGTFIHRNV-QGZVFWFLSA-N 390.480 2.928 0 40 GFAB COc1ccc(-c2cc3ncnc(N(C)[C@@H]4CCS(=O)(=O)C4)c3s2)cc1 9576178 FAOBKDOTSYEFBD-CYBMUJFWSA-N 389.502 2.990 0 40 GFAB CCOc1ccc(CCC2CCN(S(=O)(=O)N(C)CCOC)CC2)cc1 95957597 XDFBZCHAACJRJO-UHFFFAOYSA-N 384.542 2.553 0 40 GFAB Cc1nc(C(=O)Nc2cccc(C(N)=O)n2)nn1-c1c(Cl)cccc1Cl 95961445 RQPKVKZCFDDBAQ-UHFFFAOYSA-N 391.218 2.629 0 40 GFAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccs2)CC1 408628712 WHUWTRHNBBPXNI-UHFFFAOYSA-N 388.518 2.543 0 40 GFAB COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 31532689 UJTCARKARARZPK-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@@H]1CCO[C@@H]1C)CC2 547697769 USQSPJJVXMYVOU-ZTFGCOKTSA-N 376.522 2.903 0 40 GFAB CCCNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 409113713 GHOOHXIPBVYABB-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB Cn1cccc1C(=O)N1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306135702 OYCDDSZFCSSGBJ-HXUWFJFHSA-N 387.443 2.949 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)OCc2nc(-c3cccs3)no2)c1 36772379 DBYRKPCXELQUKY-UHFFFAOYSA-N 379.419 2.527 0 40 GFAB Cc1ccc(Cn2cccc(NC(=O)CN3Cc4ccccc4C3=O)c2=O)cc1 532821162 DOHWNVJEFGLKLO-UHFFFAOYSA-N 387.439 2.800 0 40 GFAB C[C@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 32842056 QURBUOHTJADETJ-CYBMUJFWSA-N 381.523 2.704 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 123341858 BIEADAHRODWPEW-URTQXDBRSA-N 388.504 2.783 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1OC 33614336 ZQUSVJMFJZSAQE-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCC2)cc1 225594689 OERMOSOXNSEKGN-INIZCTEOSA-N 395.506 2.652 0 40 GFAB C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 223857404 OTEZGVXHFBWHLC-LBPRGKRZSA-N 387.910 2.924 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)cc1 225603051 HDMYPDVWUHNHEX-CYBMUJFWSA-N 390.461 2.709 0 40 GFAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225698595 ISHLONAHVSPJAV-NRFANRHFSA-N 392.496 2.848 0 40 GFAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 225093618 WWDUTHRGSDTQJN-CQSZACIVSA-N 386.473 2.942 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccccc1-n1cnnn1 96231755 RCOHSYMXNBIUJK-GOSISDBHSA-N 388.431 2.960 0 40 GFAB Cc1ccc([C@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC(=O)N2C)cc1 96182407 WOGHZYBVCCIFOZ-GGAORHGYSA-N 391.515 2.859 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nccs1 96223004 SRPZCKAMMWIBIS-LBPRGKRZSA-N 378.841 2.636 0 40 GFAB O=C(CO[C@@H]1CCOC2(C1)CN(Cc1ccccc1Cl)C2)N1CCCC1 247727175 DIEKMJWGCRDWHJ-QGZVFWFLSA-N 378.900 2.712 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)C4[C@@H]5CCCC[C@@H]45)[C@H]3C2)cc1 257258146 KSNKIAWTWOYTQJ-DBDQLMEASA-N 388.533 2.556 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1ccc(OC)cc1 257204740 AWDADVOJSZLLLL-NQIIRXRSSA-N 396.491 2.618 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCCc2ccc(OC)cc2)[C@@H]1c1ccccc1 257333242 YAUSXIZFVIVNBV-IRLDBZIGSA-N 396.487 2.590 0 40 GFAB CCn1ccc(NC(=O)[C@]2(C)CCCCN2C(=O)c2cnc(C(C)C)nc2)n1 257235848 GZUPJRBWERGTMP-FQEVSTJZSA-N 384.484 2.840 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cnn(C)c3)CC2)ncn1 257248547 JEDAARIQDBVECS-MRXNPFEDSA-N 394.479 2.967 0 40 GFAB CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cccc(OC3CC3)c2F)cn1 597131855 XZBFSARJJFCGFM-QGZVFWFLSA-N 393.484 2.555 0 40 GFAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 96103260 BRCAHWJKXRQZKX-OAHLLOKOSA-N 382.844 2.989 0 40 GFAB O=C(N[C@H]1c2nccn2CCC12CCN(C(=O)c1ccsc1)CC2)C1CC1 585091868 NAAQYGURCZELGR-INIZCTEOSA-N 384.505 2.838 0 40 GFAB Cc1cc(N2C[C@@H](c3nc4ncccc4c(=O)[nH]3)CC2=O)ccc1Br 58161369 GRMGQUDVXQRXOY-NSHDSACASA-N 399.248 2.910 0 40 GFAB Cc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)c3ccncc3)CC2)cc1 58224680 VDXKHCFHMQVAJM-UHFFFAOYSA-N 379.460 2.774 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 95957600 CJVITCKSGYMSKL-AWEZNQCLSA-N 379.507 2.632 0 40 GFAB Cc1ccc(OCC2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)nn1 1775969244 FVQAFGBTXPZZFO-UHFFFAOYSA-N 379.420 2.766 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 5530578 UIGRFZNJQPKJMS-UHFFFAOYSA-N 382.489 2.823 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@H](COc3cccc(OC)c3)C2)c(C)n1 12239488 PFJZFBWQUORINV-INIZCTEOSA-N 393.509 2.700 0 40 GFAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)N2N1 14607172 VOKIQJBZINYYMT-KRWDZBQOSA-N 391.431 2.734 0 40 GFAB Cc1cc(C)[n+](-c2ccc(S(=O)(=O)Nc3nnc(S)s3)cc2)c(C)c1 16266776 XPJUFYHWIJWTKJ-UHFFFAOYSA-O 393.539 2.830 0 40 GFAB CCCc1nn(CC(=O)NCc2ccc(OC)cc2)c(=S)n1-n1cccc1 16777845 PWEPXFUDLRRBMJ-UHFFFAOYSA-N 385.493 2.804 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(CN2CCCC2)cc1 18101965 JQLZTZXZYACGOQ-OALUTQOASA-N 381.476 2.562 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](C)C1)CC1(CCN(C)CC1)O2 19218508 QLHMGBZXZRZHAA-SFHVURJKSA-N 399.535 2.553 0 40 GFAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cn1 19238918 LDEGQAQFLMXTMI-MRXNPFEDSA-N 381.461 2.964 0 40 GFAB CCOc1cc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)ccc1OC 19531972 FKCAAKYMRFWKRB-KRWDZBQOSA-N 383.492 2.976 0 40 GFAB COc1cc(CN2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc(OC)c1OC 19549779 HNMSQDLLKWVALE-HNNXBMFYSA-N 397.435 2.890 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@H]2CC[C@@H]3N2Cc2cccnc2)cc1 19573482 QVTCOIFLFWALPE-XLIONFOSSA-N 394.500 2.933 0 40 GFAB CC(C)c1cc(C(=O)NCCc2cn(C)c3ccc(F)cc23)nn2cnnc12 19714213 SJEXSIHHZWEOMJ-UHFFFAOYSA-N 380.427 2.851 0 40 GFAB Cc1nnc(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1N 1906725 SDORJJKNEOTGBK-UHFFFAOYSA-N 394.913 2.732 0 40 GFAB COc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(C)cc2N)cc1OC 226331145 UNYZWPZQFZQEEB-UHFFFAOYSA-N 384.480 2.599 0 40 GFAB Cc1nc(C2CC2)nc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)c1F 1888866260 LOUZFYWPHZQKPW-UHFFFAOYSA-N 386.353 2.526 0 40 GFAB COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 31074929 ISXDKBWETRHVKQ-UHFFFAOYSA-N 388.489 2.951 0 40 GFAB Cc1ccc(-n2nc(C)c(C(=O)NC[C@H](O)c3ccc(F)c(F)c3)n2)c(C)c1 31298967 NICNUIKRDJNRDN-SFHVURJKSA-N 386.402 2.934 0 40 GFAB Cc1noc([C@@H]2CN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]2c2ccccc2)n1 238866093 LUTMOIKRQDUVIR-HLIPFELVSA-N 391.427 2.928 0 40 GFAB O=C1CCC[C@H]2[C@@H](CCN2c2ncnc3[nH]cnc23)N1Cc1ccc(F)cc1 2037844217 PAWYSYMNGABKLF-JKSUJKDBSA-N 380.427 2.652 0 40 GFAB O=C(Cc1ccccn1)N1CCC2(CC1)CCN(Cc1cccc(F)c1)C2=O 1565542278 NDNAFMKKHBSNCI-UHFFFAOYSA-N 381.451 2.805 0 40 GFAB O=C(CSc1ccc(-c2cccnc2)nn1)NCc1ccc2c(c1)OCO2 4358095 BMFVSDSTDRHPTN-UHFFFAOYSA-N 380.429 2.676 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1OC 4374613 OGPZYSWISRURHO-ZBFHGGJFSA-N 395.459 2.970 0 40 GFAB C[C@@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 5087062 HQMJJAASDIHBGU-MRXNPFEDSA-N 381.476 2.705 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C1=O 8961600 GUAYARBUTLHWHV-UHFFFAOYSA-N 382.388 2.620 0 40 GFAB COc1ccccc1NC(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9040665 KJRFGODSDUSIED-CYBMUJFWSA-N 383.404 2.599 0 40 GFAB COc1ccc(OC)c(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)sc2=S)c1 16944985 IHYSDHYBUYTQIQ-NSHDSACASA-N 395.506 2.776 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1F 211113358 QQSUWXLHMCVECV-IBGZPJMESA-N 391.420 2.685 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 48678153 KEJKKKLQDGBHRC-UHFFFAOYSA-N 392.415 2.516 0 40 GFAB O=C(COC[C@@H]1CCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294294 ZYTWRRYBYHGARN-KEZQHZCBSA-N 390.499 2.848 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1cccc2c1CCCC2 40024343 ITYUYMAIQPRIHX-UHFFFAOYSA-N 391.475 2.895 0 40 GFAB Cc1nc2nc(SCC(=O)Nc3ccc4c(c3)OCCCO4)nn2c(C)c1C 40119176 WLHHMCCTMFQIMY-UHFFFAOYSA-N 399.476 2.942 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 31625175 IYGOLFQYUXDYII-UHFFFAOYSA-N 395.463 2.682 0 40 GFAB COc1ccc(-n2nnnc2/C=C\Nc2cc3c(cc2C(C)=O)OCO3)cc1 100972427 HSKPAICTVKVKBS-FPLPWBNLSA-N 379.376 2.685 0 40 GFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccnc1N1CCSCC1 51988984 CRHXEYZSWXIDDC-UHFFFAOYSA-N 380.473 2.700 0 40 GFAB Cc1ccccc1OCc1nnc(SCC(N)=O)n1CCc1ccccc1 904794 HDMBASAELKTLID-UHFFFAOYSA-N 382.489 2.986 0 40 GFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nn1c(S)nc2ccccc2c1=O 102229022 JDEGUZQIADDUPX-SNVBAGLBSA-N 375.837 2.876 0 40 GFAB Cc1c(NC(=S)NCc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 3300058 YUWXIRDYPPMHDK-UHFFFAOYSA-N 396.472 2.700 0 40 GFAB CNc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NCCOC)[C@H](O)[C@H]1[C@@H]2C 3840510 ARVQUMBPTQUCAY-QGQIFDNRSA-N 395.569 2.637 0 40 GFAB biogenic,in-vitro O=C(NC1CCCCC1)NC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 4356356 NYYWDZXFMPIOHW-GOSISDBHSA-N 376.545 2.628 0 40 GFAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 6462623 VKMWOOVTQTZYRM-UHFFFAOYSA-N 396.476 2.789 0 40 GFAB C[C@@H](COc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 55731137 URHAXROUYUHQQP-AWEZNQCLSA-N 396.896 2.544 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2Cc1ccc(F)cc1 100738271 BBHHPFQEFMGBND-RTBURBONSA-N 383.467 2.818 0 40 GFAB O=C(c1nc(-c2ccccn2)no1)N1CCN(c2nsc3ccccc23)CC1 12408039 NZHVFOMJJPILIA-UHFFFAOYSA-N 392.444 2.704 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1 812565 RAQUIKOFQZADGS-LJQANCHMSA-N 382.445 2.749 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)c1cc(Cl)c2c(c1)OCO2 22994264 GVQIVRHIIJAERS-UHFFFAOYSA-N 376.796 2.754 0 40 GFAB C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)N(C)C)cc1 55829216 DYWQRBVUVDPTNI-IINYFYTJSA-N 379.309 2.698 0 40 GFAB Cc1cc(C)c(CCNC(=O)c2nc(N3CCOCC3)ncc2Cl)c(C)c1 55489208 GJWFNQJZSYMLOR-UHFFFAOYSA-N 388.899 2.864 0 40 GFAB NS(=O)(=O)c1cccc(CNC(=O)c2cccc(OCc3ccccc3)c2)c1 25268990 IDGNVFQFLMRCMY-UHFFFAOYSA-N 396.468 2.843 0 40 GFAB CC(C)c1nnnn1CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 97010906 VQNFOKMKJVXTTF-UHFFFAOYSA-N 399.842 2.736 0 40 GFAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 3237659 MCPQXVUTTAEOLB-UHFFFAOYSA-N 381.306 2.907 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21 57493234 CDDCWAHDFNZSBF-UHFFFAOYSA-N 389.452 2.578 0 40 GFAB O=C1O[C@@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)Cc2ccccc21 27009916 JFQLURACSVFGRB-HXUWFJFHSA-N 392.455 2.711 0 40 GFAB CNC(=O)CN(C)C(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 12790479 XEKOKNGKPBEBKM-UHFFFAOYSA-N 380.423 2.805 0 40 GFAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)N(Cc1ccccc1)Cc1ccccc1 11096985 PXPZACYSEKWAJL-CQSZACIVSA-N 394.504 2.746 0 40 GFAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(N)=O)cc1 2461060 QTDUZCWNKUSCAN-UHFFFAOYSA-N 378.431 2.653 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(OC)cc1Cl 12884247 FPYNDCPHLUQBRL-UHFFFAOYSA-N 396.852 2.677 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(Br)cc1F)C2=O 18038688 VMXXBMGFHBMHRN-UHFFFAOYSA-N 398.232 2.734 0 40 GFAB C[C@@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1cc2ccccc2o1 12925616 GDJGDRBXXPZKJE-CYBMUJFWSA-N 377.400 2.976 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@H]1CCCN(c2ncccn2)C1 12951672 DZJULIIBDBKVHF-LBPRGKRZSA-N 397.460 2.713 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(F)cc1F 12929780 VXHDKIJPBGGLDF-LLVKDONJSA-N 380.416 2.778 0 40 GFAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2CC(=O)OC)n1 13023693 JLHQYWOCEUUTMX-NSHDSACASA-N 388.449 2.758 0 40 GFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 49126357 YQXDKAOJHVCGJV-VQIMIIECSA-N 393.487 2.884 0 40 GFAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(S(C)(=O)=O)s1 13628233 VHKHVEZXWBAGBT-JTQLQIEISA-N 383.495 2.645 0 40 GFAB CCCCCNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 13750516 NHPPNWBVRPHFMC-UHFFFAOYSA-N 389.887 2.738 0 40 GFAB O=C(CSc1nc2ccccc2c(=O)n1-c1cccnc1)N1CCCCC1 6107922 UOBNLQDCVOTHJL-UHFFFAOYSA-N 380.473 2.885 0 40 GFAB COc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 4383886 RGQINFPPUHEASE-KRWDZBQOSA-N 398.440 2.971 0 40 GFAB CC[C@H](C)Sc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1 13941703 VQKDDOCMLCVXNN-NSHDSACASA-N 385.536 2.982 0 40 GFAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc(=O)oc2cc(O)ccc12 5206386 NVYRHAJKGFETMV-NVMNQCDNSA-N 379.368 2.719 0 40 GFAB CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 14022191 QHDUZBATBYTPDE-KRWDZBQOSA-N 385.464 2.613 0 40 GFAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCCN1CCOCC1)C3 5427170 OGGYYPPUIXRIMR-UHFFFAOYSA-N 392.883 2.883 0 40 GFAB CCn1c(CCC(N)=O)nnc1SCCOc1ccc(Br)cc1 7227118 TUDBBOXXLWPCCF-UHFFFAOYSA-N 399.314 2.650 0 40 GFAB Fc1ccc(-c2cc3c(N4CCN(c5ncccn5)CC4)nccn3n2)cc1 67285021 HPWJYYKTZGPYGN-UHFFFAOYSA-N 375.411 2.652 0 40 GFAB COCCN1CCC[C@@]2(CN(Cc3ccc(O)c(F)c3)CC(F)(F)C2)C1=O 306133872 MYFMASCQMTWDPY-GOSISDBHSA-N 386.414 2.628 0 40 GFAB O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCN(c2ccccc2)C1=O 68204105 CBZUUUJPBWNVHM-AWEZNQCLSA-N 382.445 2.652 0 40 GFAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 16025261 QFEJQMMYLTXMCS-UHFFFAOYSA-N 376.453 2.543 0 40 GFAB CCCCS(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 96000404 RUXXEGQXPWESIR-OAHLLOKOSA-N 382.530 2.848 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2cncn2C)cc1 96011898 WMTWETRSGGLWJE-UHFFFAOYSA-N 398.488 2.502 0 40 GFAB O=C1COc2ccccc2N1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8038291 FZCYUPJXJWAGEL-MRXNPFEDSA-N 394.427 2.547 0 40 GFAB C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9579116 NWVDXUHIHBSBGG-CQSZACIVSA-N 388.493 2.891 0 40 GFAB CCOC(=O)C[C@H](C1=Cc2ccccc2O[C@H]1C)c1oc(CO)cc(=O)c1O 72324862 RFRUVWQTFZXPFT-BLLLJJGKSA-N 386.400 2.739 0 40 GFAB biogenic O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@H]1C[C@@H]1c1ccco1 95385591 RABMLBOXTGEMGU-KBPBESRZSA-N 376.434 2.512 0 40 GFAB CC(C)(C)[C@@H](NS(=O)(=O)c1ccccc1Cl)c1nc(-c2nc[nH]n2)no1 95432607 XWLHYKCCVHYOHY-NSHDSACASA-N 396.860 2.574 0 40 GFAB CCCS(=O)(=O)Nc1ccccc1C(=O)N(C)CCC(=O)OC(C)(C)C 79102685 YEFSGNKRIIPPRW-UHFFFAOYSA-N 384.498 2.642 0 40 GFAB CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)c2cccc3cccnc23)C1 72374019 ZJVQGERTHICYFD-QGZVFWFLSA-N 376.464 2.639 0 40 GFAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 33714709 NTLGEBKONYGIQW-IYWMVGAKSA-N 395.455 3.000 0 40 GFAB Cc1nc(N)n2c(SCC(=O)NC(C)(C)C)nnc2c1Cc1ccccc1 35315351 VCNMXUSNVBGABB-UHFFFAOYSA-N 384.509 2.613 0 40 GFAB O=C(NCCn1ccc2ccc(F)cc21)c1ccc(Cl)cc1-n1cnnn1 72401776 LRLVQOUMVBXMBJ-UHFFFAOYSA-N 384.802 2.840 0 40 GFAB O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)N1CCOCC1 40488331 KDKCYAOLMGZKQF-UHFFFAOYSA-N 383.379 2.780 0 40 GFAB CCOc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44911327 QCDUOOYNBDJYFV-GOSISDBHSA-N 390.461 2.559 0 40 GFAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCOCC1 44884013 XVLAOKQSNCHHJS-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1C 223893273 BHUQFXPTCHYSST-AWEZNQCLSA-N 397.518 2.755 0 40 GFAB COc1cc(NC(=O)CSc2cc(-n3nccc3C)ncn2)cc(OC)c1 49404327 KPWKXEPUJSYYDR-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 225283911 WYUHFGAFDFHEOZ-MRXNPFEDSA-N 389.521 2.739 0 40 GFAB O=C([C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCC1)N1CCn2nncc2C1 529513884 RPIKXIAEJWJBFV-LEWJYISDSA-N 379.508 2.559 0 40 GFAB CC(C)Oc1cccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 220099471 FDTNPGCOKVIPGD-UHFFFAOYSA-N 390.505 2.599 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)o3)C[C@H]1CN(c1ncccn1)C2 96056057 QZXPRXVVQQJGSR-UWJYYQICSA-N 384.480 2.660 0 40 GFAB Cc1noc(C)c1CN1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 96260382 KVHLNCCMVKPXBA-UHFFFAOYSA-N 397.523 2.589 0 40 GFAB CC1CCN(C(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)c2)CC1 247817164 DRDFXEVXMGDVFY-WRNCNIFXSA-N 382.460 2.695 0 40 GFAB CC(=O)N1[C@@H]2CN(C(=O)Cn3nc(C)cc3C(F)F)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257247963 JBJNMEZDVBZWJU-DZIWXPPMSA-N 394.466 2.910 0 40 GFAB O=C(CCN1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCOCC1 257299307 RPMYKICAIACPQV-NRFANRHFSA-N 399.466 2.510 0 40 GFAB CN(C)C(=O)CN1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 257323725 WLPLDSLMBOASCQ-BXWFABGCSA-N 397.441 2.968 0 40 GFAB CCN(C(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)O)C2)ccc1Cl)C(C)C 669504986 LYXDRBKPXOPGTK-OAHLLOKOSA-N 397.859 2.528 0 40 GFAB Cc1cc(Br)cn2cc(CNc3cc(-n4ccnc4)ncn3)nc12 680531043 LCIOCMSCQULUFA-UHFFFAOYSA-N 384.241 2.993 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)NCc3cccs3)C2)c1 575404617 OCVFQBHFHSJAHP-SFHVURJKSA-N 380.473 2.767 0 40 GFAB CONS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc1 53543934 VSKVDZXFLLEQEI-INIZCTEOSA-N 392.477 2.871 0 40 GFAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 58250440 QPAMTOXNFYSDPS-VXGBXAGGSA-N 376.316 2.708 0 40 GFAB CC(C)N(C(=O)CS(=O)(=O)Cc1nc(C(C)(C)C)no1)c1ccccc1 58936523 OZWYXJNOSLKJGZ-UHFFFAOYSA-N 379.482 2.724 0 40 GFAB COc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615123426 GANDSWFVONOIQN-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CN2CCCC2=O)cc1 12145607 FQOLBHXYVWXPHK-SFHVURJKSA-N 396.491 2.633 0 40 GFAB CC(C)Oc1cc(CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)on1 12220277 YKRFQJHHOXAUJC-UHFFFAOYSA-N 387.465 2.989 0 40 GFAB Cc1ccc2cc(C(=O)N[C@@H]3CCCN(c4ncc5c(n4)CCOC5)C3)[nH]c2c1 19221801 UXJXPKZDDLZZND-QGZVFWFLSA-N 391.475 2.738 0 40 GFAB Cc1nc([C@H]2CCCCN2CC(=O)N(C)C)ncc1C(=O)Nc1ccccc1 19756020 AVRAWWOSJVMESC-GOSISDBHSA-N 381.480 2.653 0 40 GFAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)cc3)C(=O)NC2=S)cc1 6359157 RBMFBGQNAQDPQK-QGOAFFKASA-N 391.452 2.983 0 40 GFAB CCC(=O)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575001 HYJGDXICLCMMAX-UHFFFAOYSA-N 388.508 2.703 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4onc5c4CCCC5)C[C@@H]3C2)nn1 1888875947 QIFKIUUTFILUAX-GJZGRUSLSA-N 395.507 2.849 0 40 GFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3cc(C)[nH]c3C)C2=O)cc1 23459537 FZMUSZUTKAYODB-OAQYLSRUSA-N 383.448 2.766 0 40 GFAB COC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 5107375 JCWFOEQJLGMOFF-NSHDSACASA-N 377.466 2.951 0 40 GFAB COc1cc2s/c(=N\C(=O)c3ccc4c(c3)OCCO4)n(C)c2cc1OC 13283933 WBAAJEYDWOECIL-VXPUYCOJSA-N 386.429 2.769 0 40 GFAB CCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 15081812 DUNMFKUXJMBZBR-OAQYLSRUSA-N 385.416 2.540 0 40 GFAB Cc1ccccc1-c1noc(-c2cccn(CC(=O)NCc3ccco3)c2=O)n1 35562101 AAJFMCNCNCSOMX-UHFFFAOYSA-N 390.399 2.783 0 40 GFAB Cn1ccc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)n1 575615248 BOYHDOIYVLOOKT-GJZGRUSLSA-N 386.883 2.833 0 40 GFAB NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 102624307 YVJUVPURECJFHY-LWWSYDQCSA-N 388.489 2.967 0 40 GFAB COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)NCc1ccco1 45222095 RJJXAITWWWTWGO-UHFFFAOYSA-N 398.444 2.809 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCCC2)cc1 20068800 JQRXTXHCBZKXSY-SJORKVTESA-N 387.509 2.757 0 40 GFAB COc1cc(Cl)c(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1OC 31634171 BXPVCFAUVSPYFO-UHFFFAOYSA-N 375.816 2.593 0 40 GFAB Cc1cccc(C(=O)NCC(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 101643299 PCIWROXJYZFFKI-VGSWGCGISA-N 386.492 2.695 0 40 GFAB aggregator O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)N1CCCCC1 905153 CBYGINNUDXCLDM-MRXNPFEDSA-N 387.509 2.624 0 40 GFAB O=C1N[C@]2(CN3CCC2CC3)C(=O)N1CN(Cc1ccccc1)c1ccccc1 1585466 CHPHBKYGPSWUQY-QHCPKHFHSA-N 390.487 2.667 0 40 GFAB in-vitro COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)c(OC)c1 2456857 HAYBDGRGVKALTG-SANMLTNESA-N 377.466 2.670 0 40 GFAB COc1ccc(OC(=O)c2nc(-n3ccnc3)ncc2Br)cc1 41157830 VSJAFOBYROFNAN-UHFFFAOYSA-N 375.182 2.653 0 40 GFAB Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccc(Br)cc1 2690039 WZBFXOIRYXHUQQ-UHFFFAOYSA-N 386.253 2.601 0 40 GFAB O=c1[nH]c(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)nc2ccccc12 32825264 PWWAKLDQLDSNDP-HNNXBMFYSA-N 378.480 2.621 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1OC 4714287 MDCVQHJVIUOJOZ-UHFFFAOYSA-N 376.840 2.963 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)c1 4984807 MFJOZFVHOLURBQ-LJQANCHMSA-N 377.444 2.893 0 40 GFAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 6961949 LWEWHZQKXRZUDI-GZTJUZNOSA-N 383.379 2.756 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccc(C(F)(F)F)c1 102942081 VKFDCEFVERHDGM-GASCZTMLSA-N 382.382 2.887 0 40 GFAB CC(C)NC(=O)NCc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 22759797 RSTBNMADWDWMRZ-KRWDZBQOSA-N 388.537 2.988 0 40 GFAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1N1CCOCC1 9388828 NNJUSVWTPMMJRD-HOTGVXAUSA-N 395.573 2.558 0 40 GFAB CCOC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OC)c(OC)c1 949444 JZNSIOXRZDFFFV-GXFFZTMASA-N 381.475 2.871 0 40 GFAB Cn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1C(=O)N1CCOCC1 61719911 HGCRHGRZRGLYDV-UHFFFAOYSA-N 397.258 2.744 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 23536572 WBKYQXYETCRBKE-OAQYLSRUSA-N 397.862 2.692 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3N3CCCN23)cc1 102682547 ZNHQAQNZJHWOBI-QHAWAJNXSA-N 391.471 2.848 0 40 GFAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)n1C1CC1 24488265 UHMQTCIWBWQQCH-UHFFFAOYSA-N 380.400 2.705 0 40 GFAB Cc1ccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1F 24498249 TXGJXMXLVDAWAC-UHFFFAOYSA-N 379.439 2.618 0 40 GFAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccc(OC)c(OC)c1 58341583 YOXZHTWORLPQBO-FMAYLGMYSA-N 389.540 2.592 0 40 GFAB COC(=O)[C@@]1(CC(=O)N2CCCCC2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100753589 FMLHSLSAPFAWEE-DNVFCKCGSA-N 398.503 2.554 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 20454574 GMHXCFRLZGIZFI-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1)NC1CC1 12568920 GSYJTYGOPGVZHX-UHFFFAOYSA-N 397.450 2.654 0 40 GFAB Clc1ccc(OCCN2CCN(c3nnnn3-c3ccccc3)CC2)cc1 57522547 UPVGJCDOHLIDNH-UHFFFAOYSA-N 384.871 2.517 0 40 GFAB Cn1cnnc1SCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 58163757 YASCNBDKWMABQN-UHFFFAOYSA-N 375.767 2.755 0 40 GFAB COc1ccc(-c2cnn(CC(=O)Nc3cccc(Cl)c3C)c(=O)n2)cc1 44804183 AQYMSQKUTUOBBG-UHFFFAOYSA-N 384.823 2.914 0 40 GFAB CCCn1nc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c2ccccc2c1=O 3368832 JXULZTPIFZVVNZ-OAHLLOKOSA-N 393.443 2.841 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)CC1 2137059 JAEGCFPJSSATBC-UHFFFAOYSA-N 383.539 2.576 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)cnc12 10898604 XDBOSTWHAUGQBF-UHFFFAOYSA-N 387.443 2.549 0 40 GFAB CCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2429632 PHLCOWFXYGQMQU-INIZCTEOSA-N 387.432 2.729 0 40 GFAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)NCc1ccccc1 12880361 XTHXTQGBOPYWQI-SZNDQCEHSA-N 396.468 2.864 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(O)cc1 3405736 JTWGQRWOGHKMHB-CQSZACIVSA-N 383.477 2.598 0 40 GFAB C[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)N1CCCC1 62884950 MTQNBEJPOFQKLE-MEBBXXQBSA-N 384.263 2.614 0 40 GFAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c2)no1 63849839 DNYVSZZCDWMVTM-UHFFFAOYSA-N 384.417 2.731 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 13637678 VKLKOKZEFGTYNY-UHFFFAOYSA-N 383.429 2.831 0 40 GFAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)c1c[nH]c2ccccc12 5415690 UWCBKBZRTWJBEH-GFCCVEGCSA-N 375.384 2.843 0 40 GFAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(C(C)(C)C)c1=O 9044073 QPRYAMCRMIVUBO-QGZVFWFLSA-N 382.464 2.858 0 40 GFAB C[C@@H]1CCN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 4915733 DTOPSWXMIXQGOS-ABAIWWIYSA-N 375.856 2.538 0 40 GFAB Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1C 15734962 WFVBCRRXWOPLDZ-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB O=C(COc1ccc(Br)cc1)OCc1cc(=O)n2ccsc2n1 8009395 ADZILKPOMKXXLC-UHFFFAOYSA-N 395.234 2.641 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860822 ODETYCIDHMXSLC-OAHLLOKOSA-N 396.896 2.791 0 40 GFAB Cc1c(-c2ccccc2)oc2c(C(=O)NN3CCN(C)CC3)cccc2c1=O 9305532 SFGONBKLDFPDKZ-UHFFFAOYSA-N 377.444 2.661 0 40 GFAB CC(=O)N1CCCCC[C@H]1C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 71890239 VNNWHPQIQUCLHA-KRWDZBQOSA-N 378.904 2.841 0 40 GFAB O=C(CNc1cc(Cl)ccc1Oc1ccccc1)N[C@H]1CCS(=O)(=O)C1 9690976 RMRFSWVGKCSGIH-AWEZNQCLSA-N 394.880 2.848 0 40 GFAB O=c1[nH]c(N[C@@H]2CCN(Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1 84535913 DKCUTMSTLORCMV-QGZVFWFLSA-N 386.459 2.795 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N=c1[nH]c2ccccc2[nH]1 89643154 MTKBZPYBLHPWDE-UHFFFAOYSA-N 398.488 2.720 0 40 GFAB C[C@H]1C[C@H](NC(=O)c2ccc3oc(N(C)C)nc3c2)C(=O)N1c1ccccc1 89920119 NUYBNGDGXJWWLC-GUYCJALGSA-N 378.432 2.818 0 40 GFAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O 28284118 LPCHICKFFYTCDW-KGLIPLIRSA-N 386.429 2.529 0 40 GFAB CCC(CC)[C@@H](CNC(=O)c1cc(OC)c(OC)c(OC)c1)N1CCOCC1 22755321 ADUIAQRBBRNPPC-QGZVFWFLSA-N 394.512 2.579 0 40 GFAB O=C(CSc1nc(O)cc(=O)n1-c1ccccc1F)NC1CCCCC1 408893191 GAGUXYJKQLYFMU-UHFFFAOYSA-N 377.441 2.618 0 40 GFAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C)S(=O)(=O)N(C)C)c1 20244576 SAYQSAVWUVRZLM-UHFFFAOYSA-N 375.494 2.863 0 40 GFAB COc1cccc([C@H]2CNCCN2C(=O)NCc2cn3cc(Cl)ccc3n2)c1 1554109446 MCOSILAHJXGVSH-GOSISDBHSA-N 399.882 2.852 0 40 GFAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 524735494 FYISQCJWSCSVQA-INIZCTEOSA-N 380.429 2.698 0 40 GFAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30872476 MTWGGYBCCNWBLU-LJQANCHMSA-N 380.554 2.967 0 40 GFAB Cc1cc(=O)[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc12 217436682 KDTOICQNZYHHTC-UHFFFAOYSA-N 392.820 2.989 0 40 GFAB O=C(CN1CCOCC1)Nc1ccc2c(c1)[C@H]1Oc3ccccc3C[C@H]1CO2 31870846 LNSGFDQMAJJFNX-AOMKIAJQSA-N 380.444 2.642 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC[C@H]1c1cncc(Nc2cnccn2)n1 72376280 KSHKTXYRDZUJRN-INIZCTEOSA-N 382.449 2.536 0 40 GFAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72359216 KBCXIWNWLQARSR-AWEZNQCLSA-N 387.440 2.574 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)cc1 32123850 KGFHJWXSSKAWHF-SFHVURJKSA-N 377.404 2.771 0 40 GFAB biogenic C[C@H](NC(=O)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1)c1ccccc1 70656006 QOSDKSDYYZGJDR-WMZOPIPTSA-N 376.464 2.756 0 40 GFAB CN1C(=O)S[C@H](CC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)C1=O 72396261 RDFUQPGUAKTZPG-NVXWUHKLSA-N 398.488 2.509 0 40 GFAB Cc1ccc(NC(=S)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224271702 RUQMNSXLBUYBNA-UHFFFAOYSA-N 393.534 2.611 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 225633851 ATPBNHJEUMARCW-OAHLLOKOSA-N 378.469 2.773 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccccc1I 226694388 ALWHPSLTCNMERY-MHWZDGSBSA-N 379.197 2.993 0 40 GFAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)n1-c1cccnc1 223570965 VEURMRQAMZUOHI-MOPGFXCFSA-N 379.489 2.541 0 40 GFAB CCCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224765369 MTUNFIOLWUFZRB-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCn1ccc2ccc(Cl)cc21 96345264 QQVHYWBPVMCKPD-UHFFFAOYSA-N 398.894 2.937 0 40 GFAB CCOc1cc([C@@H](N)c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)ccc1OC 95534437 SUQZEIWKQAGXJC-GOSISDBHSA-N 384.436 2.944 0 40 GFAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCC(c3nc(N)n[nH]3)CC1)O2 1636901242 UKISDUAQHBGWLJ-NRFANRHFSA-N 399.495 2.508 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NCc3ccco3)C2)c1 585095980 WFJMZXCZNCOJFM-SFHVURJKSA-N 378.432 2.688 0 40 GFAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCc4sc(Cl)cc4C3)cc21 825631930 WWUMNFIVDHGRJO-UHFFFAOYSA-N 384.866 2.593 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 15365256 YXUNSKPAPGUYEG-UHFFFAOYSA-N 383.473 2.955 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)N[C@H]1CCS(=O)(=O)c2ccccc21 54727585 DKVLZXZOWOXPJU-HNNXBMFYSA-N 381.400 2.865 0 40 GFAB Cc1ccc(-c2cccc(C[C@]3(C(=O)NCCO)CN(C(C)C)CCO3)c2)cc1 72389345 GHVNYEVAUGVSAA-XMMPIXPASA-N 396.531 2.792 0 40 GFAB O=C1NC2(CCN(C(=O)C3=Cc4ccccc4OC3)CC2)Nc2ccccc21 13566352 SKRFMPPBZFWSIT-UHFFFAOYSA-N 375.428 2.637 0 40 GFAB Cc1cc2nc([C@@H](C)NC(=O)[C@@H](C)n3nc(C(F)F)cc3C)cc(O)n2n1 19129623 DXGSPNQCBLZSCR-GHMZBOCLSA-N 378.383 2.624 0 40 GFAB CC[C@H](c1nnnn1Cc1ccco1)N1CCN(Cc2ccccc2OC)CC1 19500691 GGRUMOVCXMAAQM-LJQANCHMSA-N 396.495 2.592 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)c2sc(C)nc2C)C1 12158104 BKVARSRXGSVFDA-ZIAGYGMSSA-N 378.523 2.946 0 40 GFAB CCc1nnc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)s1 21287963 WTDLAZRVJFUNTM-AWEZNQCLSA-N 396.538 2.741 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1CCc2sccc2C1 10169237 PEQBGVCYNLUCFK-UHFFFAOYSA-N 390.461 2.549 0 40 GFAB O=C(NC1CCOCC1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888879223 SRUGCBKSKMDYCV-UHFFFAOYSA-N 399.495 2.586 0 40 GFAB Cn1c(N2C[C@H]3CN(Cc4nnc(C(F)(F)F)o4)C[C@@H]3C2)nc2ccccc21 1888888228 HJAUODMJPSSZDC-VXGBXAGGSA-N 392.385 2.543 0 40 GFAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)C3CC(F)(F)C3)C2)C1 1614937778 OQGLUGHSGLNHAH-SFHVURJKSA-N 377.391 2.808 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccsc1)C1=Cc2cc(F)cc(Cl)c2OC1 1654761853 SXBPBAYOPPGTBN-CQSZACIVSA-N 389.857 2.927 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCCCCC1 4165873 LCTXPRASEZXDRW-UHFFFAOYSA-N 385.855 2.638 0 40 GFAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505434 QXRUYVANYNSTTB-MRXNPFEDSA-N 387.567 2.818 0 40 GFAB CCOc1ccc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 4569564 YQKZIFZRMAZRQR-HNNXBMFYSA-N 394.518 2.730 0 40 GFAB CNC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc(C)c1C 4570443 ZAWXQLWFGHAAOP-UHFFFAOYSA-N 380.491 2.527 0 40 GFAB COc1ccc(N(C(=O)c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 5080833 HBZQHSWUELDEMF-OAHLLOKOSA-N 391.420 2.800 0 40 GFAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccccc3)cc2C1 11613154 XCCWOGAJIOTHBE-UHFFFAOYSA-N 388.489 2.802 0 40 GFAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cc2cccs2)CC1 2055738815 SIKSSRZEIHGOPY-UHFFFAOYSA-N 375.469 2.649 0 40 GFAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)Cn2c(=O)oc3ccccc32)C1 575414625 NZHABRYJSZKECS-OAHLLOKOSA-N 376.416 2.726 0 40 GFAB Cc1cc2c(cc1NC(=O)CSc1ccc(F)cc1)N(C)S(=O)(=O)N2C 575612106 KLMMBLMCXIOANI-UHFFFAOYSA-N 395.481 2.996 0 40 GFAB CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2ccccc2F)CC1 40158453 LQDPHZLAFKMEKP-UHFFFAOYSA-N 378.492 2.774 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100563689 IPNTUDDADOYJGS-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB C[C@@H](OC(=O)C1(Cc2nc3ccccc3s2)CCCC1)C(=O)NC(N)=O 21547214 FTYBSLCKDNNKAV-LLVKDONJSA-N 375.450 2.526 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1S(C)(=O)=O 32810743 ISPDELXCQWSEQX-UHFFFAOYSA-N 383.473 2.607 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O)Nc1nccs1 102621087 GESMQKMAAZFFAQ-AZGDMVHKSA-N 381.457 2.506 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 4477337 WPEQJRCOMTZQGZ-NYHFZMIOSA-N 377.444 2.822 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 4570931 MEIUEFUZLHQAAY-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(C3CCCC3)n[nH]2)CC1 21806740 XGZYXHRIGJDFOJ-LBPRGKRZSA-N 380.514 2.745 0 40 GFAB CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 10111608 REWIJKHOUKCGDF-JOCHJYFZSA-N 397.544 2.795 0 40 GFAB Cn1c(=O)c2cc(-c3nc4ccccc4n3C)c(-c3ccccc3)nc2n(C)c1=O 8778801 ORGJPVLDTYSJNB-UHFFFAOYSA-N 397.438 2.853 0 40 GFAB CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)NC[C@H]4CCCO4)cc3C2=O)c1 8471862 NJKCVORHPYIGCC-QGZVFWFLSA-N 392.411 2.599 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 22804807 JZICUDKQADBDPX-UHFFFAOYSA-N 397.504 2.863 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 9676744 VJAASBDMBKRDDL-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB COc1ccc(CNC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 22928778 DEDDZDFUKXPWEG-VMPITWQZSA-N 379.504 2.642 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2cccnc2SC(F)F)c1 23078975 LZONXXPAGOXZKG-UHFFFAOYSA-N 382.388 2.878 0 40 GFAB O=C(Nc1nc(-c2ccc[nH]2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 23129838 KRJVSEVHXHNBAJ-NSHDSACASA-N 396.428 2.859 0 40 GFAB CN1CCN(CC(C)(C)CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)CC1 22926495 MDQRYZVMQQUSMX-TYABSZSSSA-N 389.559 2.914 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1sc3nc[nH]c(=O)c3c1C)CC2 61718022 FHQFAMVPYCABSG-UHFFFAOYSA-N 385.445 2.509 0 40 GFAB O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1 103659617 OEXAASQOHMSUSV-PHIMTYICSA-N 376.272 2.618 0 40 GFAB CC(C)(C)OC(=O)NCCCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 42749612 HWLNZEWMRMTCPY-HNNXBMFYSA-N 391.516 2.973 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105766546 CBCYXSBOKKJMDH-LNLFQRSKSA-N 376.522 2.654 0 40 GFAB Cc1ccc([C@@H](NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1 24762028 CMXHLTLJKIXNKA-LJQANCHMSA-N 398.484 2.662 0 40 GFAB CCN1C[C@H](c2cc(O)n3ncc(C(=O)Nc4ccccc4Cl)c3n2)CC1=O 100665837 RWDKZGXSJCTQGN-LLVKDONJSA-N 399.838 2.676 0 40 GFAB Cc1nn(CCC(=O)NCc2ccc3c(c2)OCO3)c(C)c1Br 27969343 DGHKCXKQGKEYDN-UHFFFAOYSA-N 380.242 2.698 0 40 GFAB C[C@@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(N)=O 26098647 LXVOUNVLLYYYMW-TYWZFMJISA-N 398.259 2.864 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 56851391 VLHGUGLVRLTOKI-PKOBYXMFSA-N 380.444 2.747 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2ccccc2c1 102272459 YMZYRHLVXIIJER-HDICACEKSA-N 379.412 2.741 0 40 GFAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCCN(C)c1ccccc1 58045297 DTWCGDRALBNSQI-FQEVSTJZSA-N 396.470 2.547 0 40 GFAB COc1ccccc1[C@@H](C)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 58158648 FRBPAZVCKVQKIV-LLVKDONJSA-N 395.381 2.518 0 40 GFAB Cc1nc(CN2CCN(C(=O)Nc3cccnc3N3CCCC3)CC2)cs1 48172009 MYSQPRZYDJUKBL-UHFFFAOYSA-N 386.525 2.796 0 40 GFAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc(N2CCOCC2)cc1 3324899 VLMXLBZOXQKRBE-UHFFFAOYSA-N 397.456 2.928 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@H]2CCS(=O)(=O)C2)cc1 28228269 ZADPTQYWLSQDDA-IBGZPJMESA-N 387.501 2.898 0 40 GFAB CCCCOc1ccccc1/C=c1\sc2nc(-c3cccnc3)nn2c1=O 28467621 OGDJLPHPXNBAIY-ATVHPVEESA-N 378.457 2.940 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 45400990 LHIXOCQNXOFHEZ-INIZCTEOSA-N 394.518 2.853 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1F 45521216 ZHERHFMNMGCIOZ-UHFFFAOYSA-N 392.452 2.782 0 40 GFAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)cnc21 11327558 SCWUOWLAWDVLLU-UHFFFAOYSA-N 389.415 2.951 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 408560608 ZYEBCEZUSVTGMG-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccccc1C(=O)NC[C@@H]1CCCO1 12812770 HFYQLXHZBKSLSB-WMZOPIPTSA-N 393.487 2.985 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)COc3cccc(C)c3C)CC2)cc1 12999072 BWQVFLYHIMHFMJ-UHFFFAOYSA-N 395.503 2.774 0 40 GFAB CC[C@@H](C)c1ccccc1OCC(=O)NC1CCN(S(=O)(=O)CC)CC1 13001611 UVSKCTWYGHMYAE-OAHLLOKOSA-N 382.526 2.509 0 40 GFAB Cc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O 5007829 XUYCPBIXQKDYNX-UHFFFAOYSA-N 392.546 2.811 0 40 GFAB O=C(CC1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5638248 RRHITDTUGPXOGY-UHFFFAOYSA-N 386.901 2.880 0 40 GFAB Cc1cc(N2C[C@H](C(=O)OCC3(C)COC3)CC2=O)ccc1Br 66532101 IOKVNAFSTGXKLT-GFCCVEGCSA-N 382.254 2.690 0 40 GFAB CCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 4815373 LSTQGWGYMGLBSE-AWEZNQCLSA-N 376.478 2.872 0 40 GFAB CCn1c(SC[C@H]2CC2(Cl)Cl)nc2cc(S(N)(=O)=O)ccc21 6977278 GIBGWFSXBUUQRF-MRVPVSSYSA-N 380.322 2.990 0 40 GFAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3noc(-c4ccsc4)n3)cc21 97164884 LZARXYOPAMCCQP-UHFFFAOYSA-N 390.446 2.829 0 40 GFAB Cc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)NCc1ccccc1 7129656 FDZRDVAEJHTMEW-UHFFFAOYSA-N 395.484 2.799 0 40 GFAB CCCNC(=O)[C@@H]1CN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc2O1 7274949 GAYBWJWXASPQSU-IBGZPJMESA-N 397.475 2.811 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2Cc2ccccc2)C1=O 7398639 HPWMSRLGFPKCKX-QFIPXVFZSA-N 377.444 2.936 0 40 GFAB CC(=O)c1ccc(OCc2ccc(C(=O)NCCCN3CCOCC3)o2)cc1 27976712 NOCOTFHOGZQUFG-UHFFFAOYSA-N 386.448 2.513 0 40 GFAB Cc1ccc([C@H]2CSCCN2C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)o1 78934815 HPJIFLPFIUVSHM-QGZVFWFLSA-N 396.472 2.803 0 40 GFAB COC(=O)c1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 9870375 INAHNTNIZZRBSW-OAHLLOKOSA-N 385.397 2.596 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc([C@H]2CCCO2)n[nH]1 95477543 MIAPEGYSSVCZEP-CQSZACIVSA-N 398.419 2.651 0 40 GFAB CS[C@@H]1CN(c2ccc(C(=O)Nc3ccccc3)nn2)C[C@@H]1N1CCCC1 95946024 JLYRAMLGIBZVJP-ZWKOTPCHSA-N 383.521 2.745 0 40 GFAB O=C(Nc1cnc(Cl)c(Br)c1)N1CCC(n2cncn2)CC1 95942318 VAECCRRKXKKRRP-UHFFFAOYSA-N 385.653 2.958 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 9974720 BNTQFKRBWJOZHW-MRXNPFEDSA-N 394.537 2.853 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408560140 CDDUGTKDIBJQJT-UHFFFAOYSA-N 382.526 2.855 0 40 GFAB CCOc1c(Cl)cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC 22074636 NQWCMEBPQNXJQR-UHFFFAOYSA-N 398.912 2.727 0 40 GFAB C[C@H]1CCCCN1c1ccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)nn1 56901068 ZQIVDLPLIOZXIG-JEJOPICUSA-N 381.480 2.810 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408627468 MRRSCSCUMWZNPT-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB CCOc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3F)CC2)C1=O 36633976 PICPUEKBDUZJAU-LJQANCHMSA-N 397.450 2.679 0 40 GFAB Cn1c(CCNC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)nc2ccccc21 79492413 VNTLVQYVSAYTJR-CQSZACIVSA-N 398.898 2.592 0 40 GFAB Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 563023017 OCRVKCJMOZAYMK-LEWJYISDSA-N 378.451 2.957 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223001139 BDHYPFOAJGKQEV-VQTJNVASSA-N 393.516 2.945 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccc(Cl)cc1 223638027 WXTJPXXSIQXVMQ-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB O=C(O)c1ccccc1C(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225484975 ABBHFUUTMDHUEN-AWEZNQCLSA-N 384.363 2.895 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1OC 223764501 VOPXWLWKYBKCSD-UHFFFAOYSA-N 395.462 2.636 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1 48066353 RDKGTVSPPXHQEC-BJMVGYQFSA-N 385.464 2.785 0 40 GFAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 225633843 QHXMQWAANHFCIK-QAPCUYQASA-N 380.400 2.897 0 40 GFAB COc1cccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC(C)C)c3n2)c1 40485217 VXTIFPDQUZLORM-UHFFFAOYSA-N 390.443 2.849 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 49842671 KAROLPVOOHVLBS-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)C(=O)C1 82115637 BJJZCSKOWCBJFK-UHFFFAOYSA-N 381.819 2.671 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)CCSc4ccccc4)nnc3c2)n1 575612965 DXZBKABSLXINFC-UHFFFAOYSA-N 394.460 2.886 0 40 GFAB COc1cccc([C@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)c1 95533566 DYAYSWPDAAWKAU-AWEZNQCLSA-N 375.226 2.997 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1nc(-c2ccccc2)cs1 96344571 IMOKBNJGCUISNO-UHFFFAOYSA-N 394.500 2.605 0 40 GFAB COc1ccc2cc(NC(=O)Cn3cnc4ccc(F)cc4c3=O)cnc2c1 95477013 LLVPOUZRYATZQO-UHFFFAOYSA-N 378.363 2.731 0 40 GFAB CN(C)CCCNC(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037691 LXQINXLXXVKQMO-UHFFFAOYSA-N 396.539 2.637 0 40 GFAB O=C(Cc1ccccn1)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257319026 VQJMXYQXCFKTPS-IBGZPJMESA-N 375.432 2.758 0 40 GFAB Cn1ncnc1[C@@H]1COCCN1C(=O)CCCn1ccc2cc(Cl)ccc21 585081140 ABIARGXVRXMNPA-KRWDZBQOSA-N 387.871 2.804 0 40 GFAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccnc(OCC2CCOCC2)c1 253397798 FZJKDGNYEGSIOE-UHFFFAOYSA-N 393.484 2.532 0 40 GFAB CC1(C)[C@H](CNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1(F)F 666156964 MXLRHXRQCCHMMT-AWEZNQCLSA-N 398.435 2.689 0 40 GFAB COc1ccc2[nH]cc(-c3csc(NC(=O)CCCn4cnnn4)n3)c2c1 604419261 BVMDVBYGNSIARX-UHFFFAOYSA-N 383.437 2.705 0 40 GFAB O=C1C[C@@H]2CCN(C(=O)Nc3cccnc3)C[C@@H]2CCOc2ncccc2N1 1534646715 QITODZALJNYSKK-GJZGRUSLSA-N 381.436 2.758 0 40 GFAB CCC(=O)N1CCC2(CC1)[C@H](C(=O)N1CCC1)c1ccccc1C(=O)N2C(C)C 1549174816 SBDLGLYEOYOXEN-FQEVSTJZSA-N 397.519 2.638 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 7078010 OKACBVQRBUGLBL-PBJWJZLWSA-N 380.378 2.678 0 40 GFAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nn1cnnc1 5043484 FCSPOXIRTNYIIS-UHFFFAOYSA-N 398.370 2.990 0 40 GFAB O=C(c1cnn2cccnc12)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088562 RUSYARTVSAUIQT-MRXNPFEDSA-N 385.431 2.601 0 40 GFAB Cc1cc2c(o1)c1cnn(CC(=O)NCc3cccnc3)c(=O)c1n2C(C)C 12117743 LLIIYCQGEXNWPA-UHFFFAOYSA-N 379.420 2.545 0 40 GFAB CNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 13570960 RMOWKVAMTBEXLV-UHFFFAOYSA-N 387.461 2.645 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)C1=O 15613842 GRYRMJPBHAUURG-UHFFFAOYSA-N 398.463 2.644 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3F)C2)c2cccnc21 19021843 JDWCTAAWCUOVRE-QGZVFWFLSA-N 381.455 2.696 0 40 GFAB Cc1ccc(C(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cn1 19214929 PCBQAYZBTSPDOB-UHFFFAOYSA-N 390.491 2.580 0 40 GFAB O=C(c1cnc(N2CCCCC2)nc1)N(CCO)[C@H]1CCCc2ccccc21 19375308 IJACIQCAQUTHBQ-FQEVSTJZSA-N 380.492 2.979 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1OC 19936480 KNXDKRFZGGYQIO-SNVBAGLBSA-N 378.406 2.590 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@H]([C@H](NC(C)=O)c2nccs2)C1 12157909 VUJQQKABHJOQMF-LPHOPBHVSA-N 387.505 2.810 0 40 GFAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)Cc2ccccc2F)CC1 12365744 WXPLDENVDMNIKZ-SFHVURJKSA-N 375.469 2.941 0 40 GFAB COc1cccc(CC(=O)N2CC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1 12745429 LIFUQAHJOHCISZ-INIZCTEOSA-N 380.448 2.619 0 40 GFAB O=C(NCc1ccnc(N2CCCC2)c1)c1cccnc1O[C@H]1CCSC1 244969014 GUBPGFZJYSAQMC-INIZCTEOSA-N 384.505 2.891 0 40 GFAB Cc1cc(C)nc(N2CCC(CNC(=O)c3ccc4c(c3)OCCO4)CC2)n1 19118742 PVHHUELSFYAXHE-UHFFFAOYSA-N 382.464 2.511 0 40 GFAB O=C(NCc1cccs1)[C@@H]1CO[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@@H]2C1 1614931822 ZREWUHISJKSYIV-HEHGZKQESA-N 398.475 2.663 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4585742 XQIKMKZQTXGWKE-UHFFFAOYSA-N 392.502 2.772 0 40 GFAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccccc3)ccc2c1=O 4791193 CQLHYBZZHOFSNJ-UHFFFAOYSA-N 379.460 2.853 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1N1CCCC1=O 5329548 DPYGETFGDKAIIG-UHFFFAOYSA-N 388.445 2.694 0 40 GFAB COc1ccc(-n2c(CCn3ncc4ccccc4c3=O)n[nH]c2=S)cc1 5695541 NCZYRDQTBFCRES-UHFFFAOYSA-N 379.445 2.891 0 40 GFAB O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Nc1c(F)cccc1F 9065567 FIOFQUWMDBFBNZ-NSHDSACASA-N 389.358 2.868 0 40 GFAB COc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(OC)c3OC)CC2=O)cc1 9039262 TTYALCNHSRAKCW-CQSZACIVSA-N 399.447 2.887 0 40 GFAB CCOc1ccc(-n2nnnc2CNC(=O)c2cc(Cl)ccc2OC)cc1 9570473 CIPDCCSQGYYHFF-UHFFFAOYSA-N 387.827 2.653 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729928 YMJBZDFUEDCOBG-UHFFFAOYSA-N 389.381 2.868 0 40 GFAB C[C@](O)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccsc1 952965259 VVRYLUHPNLTDBQ-CQSZACIVSA-N 395.424 2.919 0 40 GFAB COC(=O)C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1 31953691 DDUYNEUXCCBBBV-SFHVURJKSA-N 393.443 2.585 0 40 GFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)nc(N)n1 32778825 CELFHBZBKDNSNO-UHFFFAOYSA-N 375.738 2.686 0 40 GFAB O=C1CCCCCN1Cc1nnc(SC[C@H]2CCCO2)n1-c1cccnc1 32727398 LOVVATCMBSLXGQ-MRXNPFEDSA-N 387.509 2.836 0 40 GFAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1Cl 3549000 LAVNHFAWEHHCFN-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Br)cc1 4005011 XRWLCOATDGTWJD-UHFFFAOYSA-N 398.260 2.851 0 40 GFAB aggregator Cn1c(SCCCOc2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 32946536 WXCWXPUWEHIJNX-UHFFFAOYSA-N 395.481 2.921 0 40 GFAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC(=O)NC1CCCCC1 4251905 NKPAGLMIFWSNOO-CYBMUJFWSA-N 387.509 2.903 0 40 GFAB Cc1cccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c1 4569844 RSRYCXSJNLDUPK-UHFFFAOYSA-N 389.506 2.883 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(C)C)cc2)cc1 6023238 FBLMHRJQSVJVHW-UHFFFAOYSA-N 376.478 2.906 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1nnc(NCc2ccccc2)s1 6051783 SOMOOCVHLWFDCI-UHFFFAOYSA-N 394.522 2.702 0 40 GFAB CCN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1 6891291 XRMPYTOQOFPHOW-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1OC 7247694 ZSAYOBSBRZIYIJ-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 7709559 VAMGMHTVUSLPKT-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)/C=C/c2cccs2)c(=O)[nH]c1=O 7803691 QNWFVUYQTYYOFK-CMDGGOBGSA-N 390.509 2.683 0 40 GFAB COc1ccc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1Cl 10447870 XTVVLDOUYNDRMP-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB Cc1c(Cl)c(CN2CCN(C(=O)N3CCOCC3)CC2)nc2ccccc12 22548539 DECBUIOTOVADTI-UHFFFAOYSA-N 388.899 2.766 0 40 GFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc2ccccc2n1 53638464 OAHVHNFFFUVDMX-UHFFFAOYSA-N 394.456 2.768 0 40 GFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(Br)c1 955325 JELQNANJXILDEP-CQSZACIVSA-N 393.241 2.901 0 40 GFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 104664566 MOKWGMNWZRTYRF-KKUMJFAQSA-N 396.484 2.611 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 23537100 XDUFARNQQKKKQJ-UHFFFAOYSA-N 377.872 2.943 0 40 GFAB COc1ccc(NC(=O)[C@H](NCCNC(C)=O)c2ccccc2)cc1Cl 23866160 MZIIGBLOHQIBJE-GOSISDBHSA-N 375.856 2.754 0 40 GFAB COc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 24582563 MZRWAKCUYPZPRB-CYBMUJFWSA-N 395.419 2.747 0 40 GFAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 20671444 QIRJTJKEGGKDDU-CYBMUJFWSA-N 382.445 2.692 0 40 GFAB COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1OC 24634217 NRVLKFDQQDJMDP-LJQANCHMSA-N 384.476 2.816 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NCc2ccc(F)cc2)CC1 56331159 FLQLYKLYKYJUKZ-UHFFFAOYSA-N 394.450 2.904 0 40 GFAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CCCN(C(=O)c2cccs2)C1 24907699 YOSXBHHEVDZDIH-AWEZNQCLSA-N 381.461 2.820 0 40 GFAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(C(=O)c2ccco2)CC1 28227769 HZGLEBKLIWHXKN-IBGZPJMESA-N 382.460 2.910 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 3265981 YZASRHODFXBETI-SFHVURJKSA-N 376.416 2.578 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)o1 100208301 OJUWJIOYUHTATG-RBLYABSFSA-N 394.475 2.977 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)cc2NC1=O 58168361 HHXAHMCCTQKACD-NSHDSACASA-N 379.445 2.834 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)cc1 12603703 UMOFPRRSVADFCQ-SFHVURJKSA-N 396.834 2.924 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2108565 HMODSEUUTCJCOO-OPAMFIHVSA-N 385.460 2.888 0 40 GFAB biogenic Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC(=O)N2CCOCC2)c1 45067318 NQMSHNCYRDVTQO-UHFFFAOYSA-N 389.883 2.726 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)[nH]n2)cc1 10989696 QERMTHQSXLSAHQ-UHFFFAOYSA-N 377.448 2.547 0 40 GFAB O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl 36452075 WUSAADBNQRNFKC-UHFFFAOYSA-N 389.858 2.805 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 12884048 AXFSMVPSACZPAI-NRFANRHFSA-N 379.416 2.551 0 40 GFAB O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12850680 AMBPIJVFTZXDHC-HNNXBMFYSA-N 394.456 2.814 0 40 GFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 3503334 KERVMOSKQIQICS-UHFFFAOYSA-N 396.230 2.758 0 40 GFAB COc1cccc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2)c1OC(F)F 12910052 RTCVRYZQGKFYPN-CMDGGOBGSA-N 387.346 2.924 0 40 GFAB C[C@@H](NC(=O)N1CCC(c2ccccc2)CC1)c1cccc(S(N)(=O)=O)c1 12987150 JGHDHVLUXRNHMN-OAHLLOKOSA-N 387.505 2.984 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OC(C)C 408592731 NQRQZRROFFFWBV-WUXMJOGZSA-N 382.800 2.503 0 40 GFAB C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4301991 LZDWORRQIIONQK-KBPBESRZSA-N 397.880 2.916 0 40 GFAB COc1cc(C(=O)OCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 4389664 FBRQUZAUEWTFPX-UHFFFAOYSA-N 377.299 2.707 0 40 GFAB CN1CCN(Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 306135918 PEIZDRTYIHFJAZ-OAQYLSRUSA-N 385.475 2.675 0 40 GFAB COCCN1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 65516500 PHMOGKIGUBIGST-CQSZACIVSA-N 381.314 2.565 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1CCSc3ccccc31)C2=O 9613838 JEDCPVROQNFRNF-WAWZGNHOSA-N 387.505 2.840 0 40 GFAB COc1ccc(NC(=O)c2cccc3cccnc23)cc1S(=O)(=O)N(C)C 14181883 ZXMTXKAWQQSRHQ-UHFFFAOYSA-N 385.445 2.746 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 4512460 JMCCTHJLWZAASB-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB C[C@H](Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N)C(=O)NC1CC1 6532955 GHVHKQRKUSFKTB-LBPRGKRZSA-N 389.525 2.628 0 40 GFAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCCCO)ccc23)cc1 6623734 LKKJWTMSCDGSHN-UHFFFAOYSA-N 397.427 2.654 0 40 GFAB biogenic CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 5602543 CDCBTDLCQQMAPU-UHFFFAOYSA-N 390.280 2.653 0 40 GFAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)NC(=O)NC)s1 6786341 OQVMFVAZGLIJKG-VIFPVBQESA-N 381.483 2.617 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(Cl)cc1F 6942644 VNZSORPRFABJKL-UHFFFAOYSA-N 382.750 2.530 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)C1 67815410 KGVXJTCGGJOWOP-CFRMROPGSA-N 392.452 2.639 0 40 GFAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)N3CCCC3)C2=O)cc1C 7575829 QHLFGNHXKLAWDY-QHCPKHFHSA-N 391.471 2.721 0 40 GFAB O=C(OCc1nc(-c2ccsc2)no1)c1ccc2c(=O)n3c(nc2c1)CCC3 7629617 RFEVQZGAILYDQT-UHFFFAOYSA-N 394.412 2.811 0 40 GFAB CC(C)c1nnc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)s1 16046721 SXKILEJVDPTWSC-VOJFVSQTSA-N 393.513 2.737 0 40 GFAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1OC 7781614 HGFSRGVZKOUJNM-UHFFFAOYSA-N 392.477 2.628 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccccc1F 8388234 UZAMEKGULKMYMS-UHFFFAOYSA-N 380.423 2.674 0 40 GFAB COc1cc(S(=O)(=O)N2C[C@@H](C)c3ccccc32)cc(C(=O)O)c1OC 71818117 XARANVNKTUATNH-LLVKDONJSA-N 377.418 2.714 0 40 GFAB CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)NCCSCc1ccccc1 72295262 MAFORFVXJPAKIL-GOSISDBHSA-N 377.531 2.692 0 40 GFAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2ccnn2)CC1 95431512 KLVVWCWMNNIQPT-IBGZPJMESA-N 383.496 2.595 0 40 GFAB COc1ccc(OCc2nc(CNCCc3nnc4n3CCC4)cs2)cc1 95959232 ZLVOBCFPADRLNE-UHFFFAOYSA-N 385.493 2.601 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C)n(C)n1 95998592 IQQUJWQBSDQWAB-IBGZPJMESA-N 397.454 2.884 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H](c1ccccc1)C1CC1 9936694 JTSNFJFJYVFWQZ-LJQANCHMSA-N 387.505 2.887 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 23798704 XQZGWYGDRVYHAN-UHFFFAOYSA-N 382.844 2.852 0 40 GFAB CC(C)n1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C(=O)NC3CC3)cc2)cn1 1549402757 GQAWWKPTXKCRBH-RBUKOAKNSA-N 382.464 2.616 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)Cn3c(C)cc4ccccc43)CC2)cc1 23056897 SNRLLGGJRGAHOF-UHFFFAOYSA-N 391.471 2.943 0 40 GFAB Cc1cc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)n2ncnc2n1 35310967 GIZOJLLKEUBZRD-UHFFFAOYSA-N 384.871 2.619 0 40 GFAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc2c(Br)cnn2c1 1519574587 FMLZUTDWGFBURF-SJCJKPOMSA-N 394.269 2.949 0 40 GFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1ccco1 408730825 IYENMZPSPYILQF-XOQYZJNISA-N 394.452 2.500 0 40 GFAB CCn1cncc1CN1CCc2c(nc3cc(-c4ccoc4C)nn3c2O)C1 72339410 GJCKIFAACUHQFV-UHFFFAOYSA-N 378.436 2.778 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nc(-c2cccnc2)cs1 71281745 PLBUZYQKAJUNNO-UHFFFAOYSA-N 381.461 2.669 0 40 GFAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)Nc1cc2ccccc2oc1=O 49026262 FYAPKMBNFVLOBY-UHFFFAOYSA-N 399.353 2.952 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3s2)C1 49030572 BERNHZGEZUJZDY-LBPRGKRZSA-N 399.476 2.529 0 40 GFAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861321 DTPSRMNHMJGBRW-SFHVURJKSA-N 381.453 2.913 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223254638 WHJNHCBANGPUCN-PMACEKPBSA-N 392.532 2.801 0 40 GFAB COc1cccc2sc(N3CC(C(=O)NCc4ccc5c(c4)OCO5)C3)nc12 77101402 OEAKKTRTYIWSIW-UHFFFAOYSA-N 397.456 2.786 0 40 GFAB COc1cc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)[nH]c2cc1OC 96118616 AMPYPHWYZZKIEU-UHFFFAOYSA-N 394.475 2.581 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227363 JQOXMEUSFHSOFP-DENIHFKCSA-N 396.466 2.801 0 40 GFAB O=C(NCCc1cccnc1)c1cc2c(s1)CCN2C(=O)c1cccnc1 96146773 NMILYEVKBHUBLU-UHFFFAOYSA-N 378.457 2.714 0 40 GFAB COC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 242750292 ZKJMIFCSCOFZLW-BBWFWOEESA-N 396.306 2.733 0 40 GFAB COc1ccc(OC)c(C=c2sc3nc(-c4ccccc4C)nn3c2=O)c1 254397304 FXAMYQPIZHQSAF-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB COc1cccc(OC)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C 257291045 QFINMOPQVIZNMT-XCRNZQRYSA-N 388.508 2.946 0 40 GFAB Cc1cc(N2CCC(NC(=O)NC[C@@H]3OCCc4ccccc43)CC2)nc(C)n1 674160682 IIKYTLBDMZGJLN-FQEVSTJZSA-N 395.507 2.675 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(c2ccc(C3CC3)nn2)CC1 575618425 BIINWVDEBYRGQG-UHFFFAOYSA-N 392.438 2.846 0 40 GFAB Cn1nc(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c2ccccc2c1=O 55999138 VZKTWBKDHMEWBL-KRWDZBQOSA-N 379.435 2.849 0 40 GFAB CS[C@@H]1CCN(c2ncc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)C1 1615053384 MMUZQRWDUCGTHP-LLVKDONJSA-N 395.472 2.827 0 40 GFAB Cc1ccc(C(=O)N2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)nc1 1615162359 WOECTZBTWXULDR-LEWJYISDSA-N 398.503 2.750 0 40 GFAB Cc1nc(C)c(CC(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)s1 1615153275 BHEUZAFNSISWIA-OAQYLSRUSA-N 399.516 2.727 0 40 GFAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 5293138 MOPDRTGAYRIKEN-SNRMKQJTSA-N 381.476 2.955 0 40 GFAB O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 12116516 QWGIDNWKISSCPD-AWEZNQCLSA-N 381.432 2.752 0 40 GFAB CC[C@@H](C(=O)NCc1ccccn1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716366 NTNVNPMNKGEOFC-SFHVURJKSA-N 375.494 2.559 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C)cc1)c1ccc2c(c1)OCCO2 14401316 KUYFKWFZEOPLSP-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB O=C(CN1CCCC1)N1C[C@H](c2ccc(Cl)cc2)[C@@H](c2csnn2)C1 19336295 MRXJLMPWSPDXQL-CVEARBPZSA-N 376.913 2.997 0 40 GFAB CCn1c(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)nc2ccccc21 19524312 ZJBZQHBLOQXBQY-UHFFFAOYSA-N 392.507 2.688 0 40 GFAB CC(C)CNC(=O)c1cc([C@H]2CN(c3ncccn3)CCO2)nc2ccccc12 19759568 GYWYUJZULRMJLR-HXUWFJFHSA-N 391.475 2.989 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4sccc4C)C[C@H]32)c(OC)n1 253599929 YHLICBBCJHVUCT-AKCHCHLHSA-N 389.521 2.983 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)cc1 1363325 YNDVDHYRSWTHHK-AWEZNQCLSA-N 392.452 2.874 0 40 GFAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1ccc2nsnc2c1 244970264 HQFCORHGHVNBQD-UHFFFAOYSA-N 393.457 2.788 0 40 GFAB O=C(CN1CCC[C@]2(CCCN(C(=O)c3sccc3F)C2)C1)N1CCCC1 2056224164 FQFRYADPVDPNTR-FQEVSTJZSA-N 393.528 2.828 0 40 GFAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)ccc1O 4276386 SRLPXKIYXYLLLC-KRWDZBQOSA-N 387.436 2.971 0 40 GFAB Cc1ccc(N2C[C@@H](NC(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)cc1C 4373252 YVSHQKAHOVLKCF-FUHWJXTLSA-N 395.459 2.548 0 40 GFAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 9738314 OIALALNFKBETOJ-UHFFFAOYSA-N 397.862 2.820 0 40 GFAB Cc1cc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)c(C)o1 2055734752 ROSKPMSMERQOSO-UHFFFAOYSA-N 388.493 2.718 0 40 GFAB COc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2cc(C)oc2C)CC1 43941094 ZHMMWFMIUWKSJA-UHFFFAOYSA-N 399.491 2.872 0 40 GFAB FC(F)(F)c1cccnc1N1C[C@H]2CN(Cc3n[nH]c4c3CCC4)C[C@@H]2C1 2298067722 FFWOXQBZFQBJGL-CHWSQXEVSA-N 377.414 2.880 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Nc2ncccn2)c1 28098954 PNTKIWYFGZUYGV-UHFFFAOYSA-N 386.415 2.729 0 40 GFAB C[C@H](C1CC1)N(Cc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O 40051405 YXEGSHQRRDHKTP-APWZRJJASA-N 378.472 2.944 0 40 GFAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 40145685 GERDVMLMMHYHAQ-QGZVFWFLSA-N 397.479 2.769 0 40 GFAB CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 50739254 YLFJTAUMYWQFRR-CQSZACIVSA-N 387.402 2.791 0 40 GFAB O=C(Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCOCC3)c2c1)c1ccccc1 31807335 WYJFJYDCTHFJNA-IBGZPJMESA-N 379.416 2.878 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2621454 ZMQFUCLHXQFFFW-HXUWFJFHSA-N 383.835 2.696 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1 21316781 WZZSTCMFQHFDRH-CQSZACIVSA-N 394.427 2.745 0 40 GFAB COc1ccccc1NC(=O)C1CCN(CC(=O)NCc2ccc(F)cc2)CC1 29904014 KCTQAZKTEQZRGU-UHFFFAOYSA-N 399.466 2.801 0 40 GFAB COc1cccc([C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)N(C)C)c1 37127570 HDVKXMAFXHYIQX-IBGZPJMESA-N 384.476 2.818 0 40 GFAB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)oc2c(F)cccc12 32865965 HSGLAKLZALLIJY-SECBINFHSA-N 383.339 2.731 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 6589583 XNBTUKLNCAFOOZ-UHFFFAOYSA-N 383.425 2.788 0 40 GFAB COc1cc(CCC(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC 6639160 SGIVRBIIHXWHBE-ZBFHGGJFSA-N 393.480 2.883 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 22534295 FYYRECLWHRBQCS-AWEZNQCLSA-N 379.457 2.932 0 40 GFAB Cc1cc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)n(C)n1 9122568 UNUNHSNEUPPSKW-UHFFFAOYSA-N 377.420 2.579 0 40 GFAB CC(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 24375086 YTLITFMDXCZTJT-UHFFFAOYSA-N 379.298 2.952 0 40 GFAB CN1C(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C(=O)C12CCCCC2 24098426 SZXSGYDIPVRDEP-INIZCTEOSA-N 380.872 2.814 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Nc1c(C(C)C)n(C)n(-c2ccccc2)c1=O 24425908 OOAKXYUYODVMFC-UHFFFAOYSA-N 390.465 2.705 0 40 GFAB Cc1cccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2N2CCOCC2)c1 12533447 VMOQKRDJZNBSTJ-UHFFFAOYSA-N 383.477 2.715 0 40 GFAB O=C1N[C@H](c2cccs2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 106213529 SNYAFSBOUHECRX-OPQQBVKSSA-N 376.381 2.914 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 24991504 HZUSKXPBUDYKAL-LJQANCHMSA-N 376.416 2.624 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC 12599676 WKURPAJXQMWCFF-KCQAQPDRSA-N 379.453 2.810 0 40 GFAB CCn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nc2cc(C)[nH]c2c1=O 57522088 WEKUBXVVCNQXEK-OAHLLOKOSA-N 382.489 2.949 0 40 GFAB COc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC 3240216 SZQAJWIEDDJBCR-ZDUSSCGKSA-N 385.416 2.847 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@@](C)(O)c3ccccc3)CC2)c1 58198229 OQXTVEKGUAOHLB-OAQYLSRUSA-N 388.533 2.517 0 40 GFAB Cc1cc(C(=O)NCc2cccnc2N2CCCCC2)c2c(C)nn(C)c2n1 58200805 JHZFASFCMRSKTA-UHFFFAOYSA-N 378.480 2.900 0 40 GFAB O=C(NCc1ccco1)c1cccc(S(=O)(=O)NCc2cccs2)c1 21897265 CEQGVYWUNSOVCI-UHFFFAOYSA-N 376.459 2.750 0 40 GFAB Cc1cc(C(=O)NCc2cccnc2-n2cccn2)c2cnn(C(C)C)c2n1 48252422 RLPPDRCSXIERND-UHFFFAOYSA-N 375.436 2.831 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC(N3CCCCC3)CC1)OCO2 26439252 VVMRFWUUSADUIQ-UHFFFAOYSA-N 387.480 2.507 0 40 GFAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(CC(=O)N2CCCC2)CC1 36384655 RFVJUMHEFLMOFV-UHFFFAOYSA-N 395.503 2.646 0 40 GFAB COc1ccccc1[C@@H]1NC(=S)N2[C@H](c3ccccc3OC)NC(=S)N12 2372300 GHBKWSHWQIPQLU-HZPDHXFCSA-N 386.502 2.696 0 40 GFAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n2c1=O)COC(C)(C)C4 2334256 FWAXWMPPDHTCFR-UHFFFAOYSA-N 394.456 2.615 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1 3315435 IKOZPJKEMUFOEI-UHFFFAOYSA-N 375.428 2.740 0 40 GFAB CCCn1c(SCC(=O)NC(=O)OCC)nc2sc3c(c2c1=O)CCC3 28680291 TXRXXGZXNXENNF-UHFFFAOYSA-N 395.506 2.722 0 40 GFAB O=C(c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)N1CCC1 12798428 GUFQAKUNVCOYNK-UHFFFAOYSA-N 389.260 2.911 0 40 GFAB CCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 409059521 RUZWXZFKHSRURM-UHFFFAOYSA-N 378.469 2.933 0 40 GFAB COc1ccc(CN(Cc2noc(C(C)(C)C)n2)[C@H]2CCS(=O)(=O)C2)cc1 48301149 MUIMBRKEBRURIE-HNNXBMFYSA-N 393.509 2.565 0 40 GFAB Cn1nc(C(C)(C)C)cc1NC(=O)CSc1nc2sccc2c(=O)n1C 48375170 BWKUIBIISAQUDR-UHFFFAOYSA-N 391.522 2.757 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12811728 KAPCDJFPZHRYGY-UHFFFAOYSA-N 377.444 2.932 0 40 GFAB COc1cc(C(=O)NCCCN2CCOCC2)ccc1OCc1ccccc1 12952804 QGCOVSZTSOYWAY-UHFFFAOYSA-N 384.476 2.726 0 40 GFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)C1 13109816 LKROYFFXNXCVBU-IYBDPMFKSA-N 387.505 2.678 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1C 6111462 VWENMIFMZVYJSW-UHFFFAOYSA-N 399.472 2.951 0 40 GFAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 6344541 SNALXXRKTUEMRV-SFHVURJKSA-N 376.453 2.685 0 40 GFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1(C)C 14188836 OZJVSYFWIMGDRE-YJBOKZPZSA-N 394.512 2.897 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc3cccnc23)cc1 14119047 DNCWUUZBOWMOAC-UHFFFAOYSA-N 397.456 2.745 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cnc(C)cn1)c1ccc(Br)cc1 14395226 SBDWYFDFPRQRPT-ZDUSSCGKSA-N 378.226 2.582 0 40 GFAB CO[C@H](CN1CCN(C[C@H](O)[C@H](OC)c2ccccc2)CC1)c1ccccc1 22861998 VSTNNAYSCJQCQI-YTFSRNRJSA-N 384.520 2.740 0 40 GFAB in-man C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCNC(=O)c2ccccc2Cl)[C@@H]1C 5755059 DSNVTXLYYVJOMB-CKEIUWERSA-N 394.899 2.944 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 4816414 LWWODOPKGNTTHY-UHFFFAOYSA-N 399.476 2.631 0 40 GFAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 20457594 AVCPHWCINCGIEH-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB C[C@H](C(=O)N1N=CC[C@@]1(O)C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1 6852699 YBTXKHPJACKOSE-JMCQJSRRSA-N 384.280 2.809 0 40 GFAB COC(=O)c1sccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 71328485 RUNRHSXUIAANOL-UHFFFAOYSA-N 393.896 2.949 0 40 GFAB CCOC(=O)/C=C1\SCC(=O)N1CCOC(=O)c1ccc(Cl)s1 9218481 ZSPQEGVKGGGERM-GHXNOFRVSA-N 375.855 2.538 0 40 GFAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542734 HPWVKGQFTJBGFW-UHFFFAOYSA-N 390.530 2.692 0 40 GFAB CC(=O)N(C)Cc1ccc(C(=O)COC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 7787364 ZYJROTPSIRCSBN-UHFFFAOYSA-N 396.443 2.860 0 40 GFAB COC(=O)c1cc(NC(=S)NC(=O)c2cccc(F)c2)cc(C(=O)OC)c1 408621777 NUYPSBVPSJPKAJ-UHFFFAOYSA-N 390.392 2.526 0 40 GFAB O=C(COc1ccc(Br)cc1F)NC[C@H]1COc2ccccc2O1 7783995 ISNRHEZWWJSFEX-LBPRGKRZSA-N 396.212 2.923 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)NCC1(N2CCCCC2)CCCCC1 8185754 RJRQYFCSOSHRRQ-UHFFFAOYSA-N 382.508 2.702 0 40 GFAB O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[C@H](c2nc3ccccc3s2)C1 8367484 WJYRNHKNEHWWKS-KGLIPLIRSA-N 376.503 2.951 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)N1CCCCCC1 8404936 QRSCVGWVWPRZMM-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB COc1cc(CCC(=O)NCCc2nnc(-c3ccccc3)n2C)cc(OC)c1 97143758 VNELSDZZDKMTAD-UHFFFAOYSA-N 394.475 2.791 0 40 GFAB O=C(CNc1cc(Cl)ccc1Oc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 9690975 RMRFSWVGKCSGIH-CQSZACIVSA-N 394.880 2.848 0 40 GFAB C[C@]1(c2ccc(C(=O)N[C@H](c3ccccc3)c3ccco3)cc2)NC(=O)NC1=O 72311826 BLIBZSRJFDJTAN-XMSQKQJNSA-N 389.411 2.854 0 40 GFAB CCNC(=O)CN(CC)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 72307119 WJNWGRFUVMEPAZ-KRWDZBQOSA-N 396.329 2.571 0 40 GFAB COC(=O)c1cc(NC(=O)CSCC(=O)C(C)(C)C)cc(C(=O)OC)c1 72312894 MEZLYYCUEPBYCB-UHFFFAOYSA-N 381.450 2.547 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2cccc3cccnc23)c1 9752760 MCVZSHRRRLQQKY-UHFFFAOYSA-N 397.456 2.745 0 40 GFAB CC(C)OCCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 95993078 MDVJZMQDROARNZ-MRXNPFEDSA-N 384.546 2.787 0 40 GFAB CC(C)CN1CC[C@H](C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)C1 95939124 UTBBBJFCODTSID-FJIDUMEYSA-N 379.545 2.726 0 40 GFAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C)noc3C)n2)cc1 177049785 UZFWXIKGGUOMFZ-UHFFFAOYSA-N 392.437 2.561 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@H]21 1551453699 STZDAKVSKPZEJH-HKQLPLSVSA-N 387.402 2.781 0 40 GFAB COc1ccccc1CNC(=O)CSc1nnc2c3ccccc3n(C)c2n1 35291031 KYDYZXLVSVVFEH-UHFFFAOYSA-N 393.472 2.934 0 40 GFAB CN(C)c1ccnc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1 301722865 KQCZPDBKOFTUNS-UHFFFAOYSA-N 380.521 2.988 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2OCC)cc1 408602259 IMMUGBTYRLRACM-AWEZNQCLSA-N 392.477 2.790 0 40 GFAB CC(C)[C@H](CO)NC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 36576119 LELHIMOUSBROIX-IBGZPJMESA-N 381.428 2.972 0 40 GFAB COc1cccc(C2=NN(C(=O)c3cccc(O)c3)[C@@](O)(C(F)(F)F)C2)c1 32101325 MFGKEIQRDFAWLQ-KRWDZBQOSA-N 380.322 2.902 0 40 GFAB CCCCn1c(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O 36848882 YHVVZOXNZCUODB-XUXNNNHQSA-N 378.542 2.937 0 40 GFAB O=C(O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NC2CCCCC2)c1 217448899 RBOGYNNKAZJZPZ-OAHLLOKOSA-N 382.482 2.587 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72349699 FOFQNSRUSJXESH-HXUWFJFHSA-N 379.504 2.711 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 36022347 VXULPLXBLUXKAP-NSHDSACASA-N 384.910 3.000 0 40 GFAB Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619053 BCMQKDYKXVAUKG-LBPRGKRZSA-N 393.451 2.564 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1 31074993 GUELVUYOEYFAAU-UHFFFAOYSA-N 394.880 2.824 0 40 GFAB O=C(NCCn1ccc2ccc(Cl)cc21)c1cc(F)ccc1-n1cnnn1 71288058 WUVNRFLUJKSYTL-UHFFFAOYSA-N 384.802 2.840 0 40 GFAB CCOc1cccc(CNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219170306 XLKJVKLALLKLLW-UHFFFAOYSA-N 390.505 2.948 0 40 GFAB O=C(Cn1ccc2ccc(Br)cc21)NCc1nnc2ccccn12 79495014 GFLRHRDZKCGMDG-UHFFFAOYSA-N 384.237 2.763 0 40 GFAB CN1C(=O)C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1ccc(F)cc1 72242233 DQBXAFUCDVOAHI-UWJYYQICSA-N 399.441 2.833 0 40 GFAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(CN(C)C(C)=O)c2)C1 40133679 OGUQGAVTCYQTHH-GOSISDBHSA-N 388.512 2.777 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CSc2ccc(-n3cnc(C)c3)nn2)cc1 49401184 LHAOFQOXOLYMDB-CQSZACIVSA-N 383.477 2.949 0 40 GFAB O=C1CC(c2cccc(NC(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)c2)CC(=O)N1 573063970 LTXPLRWGTBZQIA-UTJXIGIESA-N 396.365 2.501 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223025067 AYYDEMALMWZEIT-WOJBJXKFSA-N 393.516 2.945 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 229944846 JWHVOBLPPCZCFU-FZONSQQESA-N 392.455 2.685 0 40 GFAB COc1ccc(CC(=O)N[C@H]2c3ccccc3[C@@H]3CN(C(C)=O)C[C@@H]32)cc1OC 96038438 CSABZUCWPXAVOL-YDHSSHFGSA-N 394.471 2.679 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@@H]3OCCN([C@H](C)c4ccccc4)[C@H]3C2)cc1 95836990 ORFQRBJQBLEMCY-QMMLZNLJSA-N 386.517 2.830 0 40 GFAB CCn1nc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)ccc1=O 600006725 RGEYTGNLZINOCB-INIZCTEOSA-N 392.862 2.623 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1F 96096510 ONEVBQQZSKKMDO-SFHVURJKSA-N 392.452 2.728 0 40 GFAB CC(C)(C)n1cc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cn1 48331959 HAMYFIDKOXBPBL-UHFFFAOYSA-N 382.508 2.992 0 40 GFAB CC(C)C[C@H](C(=O)NC[C@H]1COC2(CCCCCC2)O1)N1CCCCC1=O 95991697 TWENRFRWRPEFCP-ZWKOTPCHSA-N 380.529 2.996 0 40 GFAB C/C(=C\C(=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 98055480 RFYJYNWQULMBIV-ZRDIBKRKSA-N 377.393 2.505 0 40 GFAB CCn1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)n1 1615121072 MQKKANNYHOCSQL-QFIPXVFZSA-N 396.491 2.640 0 40 GFAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCC2)C1=O 12241939 SWJKPSFMILVDQL-MRXNPFEDSA-N 382.416 2.637 0 40 GFAB CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 16401731 VEJABMXFYMOWJU-OAQYLSRUSA-N 397.431 2.914 0 40 GFAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1 16637309 FYMPDLOYCMQTBC-GFCCVEGCSA-N 376.906 2.664 0 40 GFAB Cc1cc2nccc([C@H]3CCCCN3C(=O)c3n[nH]c(=O)c4ccccc34)n2n1 19130652 VNPKRUFOXGJGIP-MRXNPFEDSA-N 388.431 2.642 0 40 GFAB O=C(CCn1ncc2c1CCCC2)Nc1ccnn1Cc1ccc2c(c1)OCO2 19346029 GRTGBLHFKJFYII-UHFFFAOYSA-N 393.447 2.764 0 40 GFAB CCOc1ncc(C2(O)CCN(Cc3ccccc3F)CC2)c(OCC)n1 19531749 PVSYWBUQXDWHDJ-UHFFFAOYSA-N 375.444 2.897 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3CCN3CCCC3)CC2=O)cc1 19556344 TVKNLRTVRVWBOP-MOPGFXCFSA-N 399.535 2.915 0 40 GFAB CC(C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)N1CCOCC1 19662549 FGQZQSGOHWJMLW-LJQANCHMSA-N 394.943 2.861 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)C1=O 19665692 LSBOGNANRYWGIZ-UHFFFAOYSA-N 385.468 2.910 0 40 GFAB Cn1c(=O)c(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)nc2ccccc21 19715016 OTTZDTCZNFDADD-UHFFFAOYSA-N 377.379 2.570 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 19867755 BYJNCLLKHTYJLV-DBVUQKKJSA-N 390.549 2.842 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)N[C@@H](C)c3ccc(OC)cc3)ccc21 19936876 VSSLBAFRXMXZMW-LBPRGKRZSA-N 376.434 2.663 0 40 GFAB COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)c1 19947243 OZHSDAJQISZORH-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169298931 NKPHVJAVUYSGSZ-OZQHCQBDSA-N 396.418 2.516 0 40 GFAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCCCC1 9217056 QXMVVBQFYGVOGS-UHFFFAOYSA-N 390.549 2.979 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O 3422342 YVKKCWWJPDRZPF-UHFFFAOYSA-N 380.448 2.739 0 40 GFAB Cc1nc(C)c(F)c(OCC2CCN(c3c(C)c(C)nc4ncnn34)CC2)n1 1888899362 IHESFKXYQKNVPR-UHFFFAOYSA-N 385.447 2.582 0 40 GFAB CN([C@@H]1CCN(c2ncnc3ccccc23)C1)S(=O)(=O)Cc1ccccc1 1888964368 VQJNJNCSVPQZQI-QGZVFWFLSA-N 382.489 2.670 0 40 GFAB Cn1nccc1-c1ccc(CCNC(=O)C(=O)NCCC2=CCCCC2)cc1 1889186631 DCODECVUVJNGQZ-UHFFFAOYSA-N 380.492 2.753 0 40 GFAB COc1ccc(CNC(=O)CN2CCC[C@@](O)(COc3ccccc3)CC2)cc1 2037916009 GXTPHOWDBSLOHL-QHCPKHFHSA-N 398.503 2.607 0 40 GFAB O=C1C[C@]2(CCCN(Cc3cnn4cccnc34)CC2)Nc2ccccc2CN1 2037988795 IPIQROXWMQISSE-JOCHJYFZSA-N 390.491 2.586 0 40 GFAB Cc1c(F)cccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 4744045 ZMYPOUDVAONEGB-UHFFFAOYSA-N 396.415 2.546 0 40 GFAB CCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 5329076 WYAXEGXLAVTEND-UHFFFAOYSA-N 386.520 2.651 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1N1CCc2ccccc2C1 9827927 MTGKFAGRIOICHY-UHFFFAOYSA-N 375.428 2.972 0 40 GFAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)NCCc1ccccc1 11739193 GKKPLZIKOCBOFL-UHFFFAOYSA-N 382.445 2.773 0 40 GFAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 21919157 YRMTZYZWVUIEIM-IBGZPJMESA-N 376.403 2.533 0 40 GFAB COc1ccccc1CC(=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775973643 WJDCQRLFZPTHEL-UHFFFAOYSA-N 391.471 2.886 0 40 GFAB O=C(O)CCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 17081456 RPZDZVQYENRHPO-INIZCTEOSA-N 398.440 2.914 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 40090095 UDPPAXVYRNDTQZ-MRXNPFEDSA-N 388.489 2.880 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2)c1cccnc1 20735063 GEDKVCCYJOHXLK-SFHVURJKSA-N 389.411 2.790 0 40 GFAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)cc1 60127393 JIOLKTWPOWUYEI-UHFFFAOYSA-N 388.445 2.848 0 40 GFAB NC(=O)c1ccsc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2628191 PVBXWZLZGCPXHD-UHFFFAOYSA-N 390.424 2.798 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)c(OC)c1 1357532 BUKMQXCBJFYQEZ-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB CCOC(=O)C1=C(CN(Cc2ccccc2F)C2CC2)NC(=O)N[C@@H]1CC 21584280 AQESUTCOOQUTJW-MRXNPFEDSA-N 375.444 2.699 0 40 GFAB COc1ccccc1NC(=O)C1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 29905152 JADBSMLIWLUBGJ-KRWDZBQOSA-N 387.524 2.993 0 40 GFAB CC(C)c1noc(CCCC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)n1 46786550 FUBVNKRXODDSEZ-UHFFFAOYSA-N 396.495 2.508 0 40 GFAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](CO)[C@H](C)CC)c12 6759429 VZDOLKLTPOBODN-GDBMZVCRSA-N 375.465 2.956 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3C(/C=C/c4ccccc4)=NO[C@H]3C2=O)cc1 101500304 DIHZOXZKSINMGQ-APAVCVACSA-N 376.368 2.570 0 40 GFAB CCN(CC)Cc1nc(C2(NC(=O)c3cc(O)nc(Cl)c3)CCCC2)no1 96006716 IIZGLGGTRPAJGI-UHFFFAOYSA-N 393.875 2.865 0 40 GFAB CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 22139871 UUMHVINLQOWQPX-LJQANCHMSA-N 397.475 2.731 0 40 GFAB CN(C)CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10111452 WAKRTTXCBGPQGH-FQEVSTJZSA-N 387.505 2.735 0 40 GFAB COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1ccccc1 706012 SLQXASRIKQBPJJ-UHFFFAOYSA-N 387.457 2.931 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c2c(C)cc(C)nn12 23223572 RZIMETOCNMRXHK-CYBMUJFWSA-N 383.477 2.949 0 40 GFAB O=S(=O)(c1ccccc1F)N1CCN(Cc2nc3ccccc3s2)CC1 24149479 XGTZRVKRXBKLFS-UHFFFAOYSA-N 391.493 2.942 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100033299 JSNCTMPYZZLIKS-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O 20673218 RNERNTRROYDXCQ-UHFFFAOYSA-N 381.436 2.878 0 40 GFAB COc1ccc(-n2c(NN)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 1305868 NAILWUNYZQMCCB-AWEZNQCLSA-N 386.477 2.839 0 40 GFAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)N1CCC[C@H]2CCCC[C@H]21 25063710 IBLKCFZEDACGJO-TZIWHRDSSA-N 395.551 2.633 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472824 MEJMDZUMUQZBCQ-UHFFFAOYSA-N 399.878 2.781 0 40 GFAB O=C(NCC(F)(F)F)C1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1 26688953 QLCODIVJQYZTNM-UHFFFAOYSA-N 399.442 2.751 0 40 GFAB Cc1ccccc1-n1c(CSc2ccccc2)nn(CN2CCOCC2)c1=O 28527331 PFZQHTSSLZZUBT-UHFFFAOYSA-N 396.516 2.924 0 40 GFAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 58004693 SLJOHEYHXDLAHR-GFCCVEGCSA-N 378.416 2.584 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)N(Cc1ccco1)Cc1cccs1 24461314 YIQXDOJBRRWVJW-UHFFFAOYSA-N 380.429 2.675 0 40 GFAB O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)N1CCCCC1 101663427 JAYJDNGAUOGCSR-PJBUMPDVSA-N 376.456 2.870 0 40 GFAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)c2n1 48237507 OLYQRFCPKSLGCL-GASCZTMLSA-N 380.452 2.607 0 40 GFAB Cc1cccc(NC(=O)CSc2c(C)nn(-c3nnc(C)c(O)n3)c2C)c1 27756660 HULOGBNYRAODSO-UHFFFAOYSA-N 384.465 2.727 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccc2c(c1)OCCCO2 28036880 PWZJNEDSZZYBRS-OAHLLOKOSA-N 399.900 2.910 0 40 GFAB COCc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 29144319 ZJQOHQYAFCMJBN-UHFFFAOYSA-N 382.869 2.891 0 40 GFAB COc1ccccc1CCN(C(C)=O)[C@H]1CC(=O)N(c2ccccc2C)C1=O 2318747 IBCSSPLDNNVVHY-IBGZPJMESA-N 380.444 2.727 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 12772788 HWQRDRHNQJAAHI-UHFFFAOYSA-N 381.476 2.795 0 40 GFAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1 2419883 MBQSCVNPSOZDQY-UHFFFAOYSA-N 384.413 2.937 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2cccc(C)c2)c1 11689891 CEHPIYCFEHHTQC-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nn2cnc3ccccc32)c1 12802772 JCMHQAPLTNJXPN-UHFFFAOYSA-N 386.477 2.759 0 40 GFAB COC(=O)c1cccc(COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 12808120 YCJVKSOYOYXYLC-UHFFFAOYSA-N 384.384 2.951 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N1CCCC1 3520363 VYSPYFUVTYBQKE-UHFFFAOYSA-N 375.856 2.981 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12988743 GAZBRVICKGDTDV-IRXDYDNUSA-N 398.459 2.551 0 40 GFAB COCCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 3636305 WXRUCYQFMQVMKM-NRFANRHFSA-N 384.501 2.880 0 40 GFAB O=C(Oc1ccc(OCc2ccncc2)cc1)c1sccc1-n1cnnn1 48860699 UODCXQDJWKLSNY-UHFFFAOYSA-N 379.401 2.917 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(OC)cc23)[C@@H]1c1ccccc1 3984394 HMWMRQAKYQGVPD-INIZCTEOSA-N 392.411 2.794 0 40 GFAB biogenic CCCn1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2c1=O 8727278 NCQBWPXPISOHTM-SFHVURJKSA-N 390.487 2.811 0 40 GFAB O=C1CCCN1c1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 8727756 DHZZXRIIBLOURE-UHFFFAOYSA-N 387.461 2.785 0 40 GFAB COc1ccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)cc1OC 4167249 IBVNWRSIIDTTEE-QGZVFWFLSA-N 398.440 2.811 0 40 GFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cccc3nsnc23)c1 14234075 FLWVHAFDTHCBMG-JTQLQIEISA-N 379.463 2.748 0 40 GFAB Cc1nc2sc(C(=O)OCC(=O)NCCCc3ccccc3)c(C)c2c(=O)[nH]1 6587134 MBNLFMXITRLLPQ-UHFFFAOYSA-N 399.472 2.507 0 40 GFAB COC(=O)c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 4659781 JNFAGNFWDLWEJU-UHFFFAOYSA-N 376.361 2.727 0 40 GFAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCN1CCOCC1)CO3 6669948 FUWCJBPAVCDHQG-UHFFFAOYSA-N 392.883 2.937 0 40 GFAB CCOc1ccc(C(=O)NCCc2cn3nc(C)c(C)nc3n2)cc1OCC 6665640 MPQCNQUNTRPCCT-UHFFFAOYSA-N 383.452 2.511 0 40 GFAB CSc1ccc(COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 6932928 NCFVYDILEMLRBB-LBPRGKRZSA-N 390.486 2.579 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1 5966185 ZMKZHLLFSAWMQY-FQEVSTJZSA-N 394.471 2.770 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 7056017 MQMOVDNQIQUMBW-UHFFFAOYSA-N 390.486 2.891 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7114862 UCAOFAKCXGFBFM-YLJYHZDGSA-N 398.528 2.654 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CN2CCC(Cc3ccccc3)CC2)CC1 7443148 DBUUZTOGWTXABV-UHFFFAOYSA-N 387.524 2.678 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)NCc3ccccc3C)c(=O)c2c1C 7695842 HBXNUKNEMKGVKK-UHFFFAOYSA-N 399.472 2.568 0 40 GFAB CCc1ccc([C@H](CNC(=O)c2nn(C)c(=O)c3ccccc23)N(C)C)cc1 7684729 ZZVXOFBJMCXHSO-IBGZPJMESA-N 378.476 2.529 0 40 GFAB CCOCCCNC(=O)C1CCN(c2cc(CC)nc(-c3ccccn3)n2)CC1 68665434 ZENLQLOTPLOOCZ-UHFFFAOYSA-N 397.523 2.860 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(CC)CC(=O)NC(C)(C)C 71796281 FWNWXDBOPVOXTC-CRAIPNDOSA-N 375.513 2.594 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1 23028015 MZBGOPLPOIVAFC-UHFFFAOYSA-N 375.475 2.628 0 40 GFAB C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)N1CCC(Cc2ccccc2)CC1 9596642 XJYUTHHUPFWZSK-KRWDZBQOSA-N 391.475 2.911 0 40 GFAB O=C(Nc1nccs1)[C@@H](c1cc(Br)cs1)N1CCOCC1 72306910 ZFUMBAMKMZWHLF-LLVKDONJSA-N 388.312 2.979 0 40 GFAB O=c1ccnc2sc(N(CCN3CCCC3)Cc3ccc(Cl)cc3)nn12 84398154 WALFEDCGQQCBJO-UHFFFAOYSA-N 389.912 2.907 0 40 GFAB COCCn1cc(C(=O)N2CCN(CCc3ccccn3)CC2)c2ccccc21 79482669 ZZWZFQOTWNMNIT-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB NC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 95972193 UYNOZLHBCADLAQ-UHFFFAOYSA-N 393.300 2.776 0 40 GFAB C[C@H]1CCc2c(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)csc2C1 89930111 YUPVQCMHMFGSQB-NSHDSACASA-N 391.518 2.691 0 40 GFAB O=C(N[C@H]1CCn2ccnc2C1)c1cccc(-n2nccc2C(F)(F)F)c1 547658427 RKGGCXXBZYRQFO-ZDUSSCGKSA-N 375.354 2.832 0 40 GFAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCO[C@H](c2cccc(F)c2)C1 516932628 WTXXQYJDCFQLSM-LIRRHRJNSA-N 386.423 2.602 0 40 GFAB N[C@@H](CC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1)Cc1ccccc1 1521313244 QDCAIKZSMZBXFT-XMSQKQJNSA-N 377.488 2.921 0 40 GFAB Nc1nn(CC(=O)c2ccc3c(c2)OCO3)c(=S)n1Nc1cccs1 36625653 KDEMXXHCMQMDQR-UHFFFAOYSA-N 375.435 2.545 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218057612 VUUITNNDAYGDSQ-RYRKJORJSA-N 379.865 2.540 0 40 GFAB COc1ccc(OC)c(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c1 72339809 TUAVTMVJIYIHAO-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB Cc1nc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)co1 225890514 XNDJKXMBWAWOEO-IBGZPJMESA-N 377.400 2.707 0 40 GFAB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899533 ASJNZSUZYGOOCM-UHFFFAOYSA-N 390.461 2.955 0 40 GFAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224189285 MYXSGARKZGYQOI-OAHLLOKOSA-N 387.521 2.771 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)c2ccc(Cl)s2)cc1 225706797 XYJJYHUVXBMIHH-GFCCVEGCSA-N 389.882 2.854 0 40 GFAB CCn1c(=O)sc2cc(NS(=O)(=O)c3cccc(C(=O)OC)c3)ccc21 225122337 BOLSZKITDAJYEW-UHFFFAOYSA-N 392.458 2.670 0 40 GFAB CN(CC(=O)NCCSc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 46433909 WULHUMNRZWCFOV-UHFFFAOYSA-N 398.937 2.869 0 40 GFAB Nc1ccc(N2CCOCC2)c(NC(=O)c2cncc(Br)c2)c1 226252621 SOSZWIRUBWDDOK-UHFFFAOYSA-N 377.242 2.515 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1 96143915 MKDJMGBNBBDDLW-JTHBVZDNSA-N 377.488 2.950 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(C)cc1 96520136 PDTBKXIDSMVRCQ-QWRGUYRKSA-N 388.654 2.791 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)C[C@H]1N=C(O)N(CCc2ccccc2)C1=O 95479958 KKEQMBQTBQVHCV-QGZVFWFLSA-N 397.479 2.777 0 40 GFAB O=C(N[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)[C@H]1CCCO1 96079081 DFQIYOSHIDQISC-RTBURBONSA-N 378.476 2.755 0 40 GFAB COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)n1 96111815 MQWMCXSFLICQCO-HKUYNNGSSA-N 379.460 2.869 0 40 GFAB biogenic,in-vitro O=C(c1cccs1)N1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 247827137 JJZTZTIBGVOAQS-QGZVFWFLSA-N 375.494 2.975 0 40 GFAB O=C(NCC(=O)N1CCC[C@@](CO)(c2ccccc2)C1)c1cc2c(s1)CCC2 585080135 SAESTXWXLWAIJO-JOCHJYFZSA-N 398.528 2.519 0 40 GFAB Cc1nccc(C(=O)N2CCO[C@@H](c3cccc(-c4c(C)noc4C)n3)C2)n1 257243205 IFWJBWZFBYSAOM-GOSISDBHSA-N 379.420 2.666 0 40 GFAB Cc1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257340115 ZEPWUCZNBPAULK-PMACEKPBSA-N 381.480 2.546 0 40 GFAB CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)n2)C1 257223143 DWBXVHIFKXNJJW-AWEZNQCLSA-N 395.554 2.966 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)N(C)CCc2ccccn2)[C@@H]1c1ccc(OC)cc1 257277564 NYLQPHLUXQBNMW-CTNGQTDRSA-N 381.476 2.701 0 40 GFAB C[C@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)[C@H]1Oc2ccccc2[C@H]1C 660821280 YSGXWZRAYLAKQK-CKNLXJGOSA-N 379.460 2.806 0 40 GFAB CS(=O)(=O)Cc1ccccc1NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 585100148 ADRTVGIGFDWJIM-ROUUACIJSA-N 388.489 2.925 0 40 GFAB Cc1ncoc1C(=O)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615121592 NJQTUEGDTLCWDU-FQEVSTJZSA-N 387.411 2.550 0 40 GFAB CCn1cc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)n1 1615121075 MTFIDFWDQYKMNQ-NRFANRHFSA-N 386.471 2.749 0 40 GFAB Cc1cc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)ccn1 1615128411 JCOAKTYWRADKPS-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615118752 DDZNYPRRKLQXMM-JOCHJYFZSA-N 395.459 2.980 0 40 GFAB Cc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1C 5251820 YCOBMYXEFCDNNG-UHFFFAOYSA-N 385.427 2.949 0 40 GFAB Cc1c(/C=C2/NC(=S)NC2=O)c2ccccn2c1C(=O)c1ccc(F)cc1 12750092 BHFYCNQBHTYDAH-XNTDXEJSSA-N 379.416 2.963 0 40 GFAB CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)c3cccs3)N2c2ccc(C)cc21 13655703 NJXWMPDQQFJXCZ-RANZSIQMSA-N 378.453 2.802 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)cc1 16807026 WZUQCEMAGADVCX-UHFFFAOYSA-N 385.449 2.651 0 40 GFAB Cc1ccccc1-c1cccc(C[C@@H]2CN(C(=O)[C@@H]3CCCO3)CCNC2=O)c1 19237454 WXMIDVCARZNZLN-IRLDBZIGSA-N 392.499 2.958 0 40 GFAB Cc1ccccc1-c1ncc(CN2CCC(O)(Cn3ccnc3C)CC2)cn1 19237543 WBRAYYRZNAYXHF-UHFFFAOYSA-N 377.492 2.984 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)Cn3nc(C)c(C)c3C)CC1)CC2=O 19556421 FAIRHXDQXCIFHS-UHFFFAOYSA-N 397.475 2.844 0 40 GFAB COc1cccc(CC(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)c1 19588926 OXDSVDJKPVDTOX-HXUWFJFHSA-N 380.492 2.769 0 40 GFAB Cc1cc(-c2cnc(N)nc2)cc(C2CCN(CC(=O)N3CCCCC3)CC2)n1 19691951 HBFKFMGBCLQNOE-UHFFFAOYSA-N 394.523 2.621 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)c1F 244975037 HZCQZNXDTXWSGN-KRWDZBQOSA-N 399.466 2.906 0 40 GFAB CC(=O)Nc1cccc([C@@H]2CN(Cc3ccccc3)C[C@]23COCCC(=O)N3)c1 19022884 ZUDDEUAFNMSNRP-GMAHTHKFSA-N 393.487 2.520 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O 2633376 MKSBAAYGXKZFSR-FQEVSTJZSA-N 387.386 2.847 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccc(Cl)c4)cnc32)cc1 10251451 KLGLYWQFTBWYOJ-UHFFFAOYSA-N 379.807 2.928 0 40 GFAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)on1 13596906 KQTJBDSYIXHYSL-UHFFFAOYSA-N 389.886 2.737 0 40 GFAB Cc1cc(NC(=O)Cc2cccc3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 17011613 PHMULGVCCZVYAB-QGZVFWFLSA-N 383.473 2.886 0 40 GFAB O=C(c1c[nH]c2ccccc12)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1 585605197 VSOKSNWURSCEQW-UHFFFAOYSA-N 385.427 2.559 0 40 GFAB CCOC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2nc(C)ccc2c1=O 20986319 AIYFQWPDYNWWRP-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)CSc3nc(C)cc(C)n3)CC2)cc1 6981606 WUCWLDIQJWAECU-UHFFFAOYSA-N 384.505 2.737 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1 20029161 WLIUZWVUOPRDGB-FRRDWIJNSA-N 391.443 2.920 0 40 GFAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 40112970 HWOAFHUKMQLUIE-AWEZNQCLSA-N 398.898 2.742 0 40 GFAB COC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 20102790 YJHLXZVFTHXKMS-UHFFFAOYSA-N 378.900 2.964 0 40 GFAB CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 20102751 RVHVOXLSYJVTFB-UHFFFAOYSA-N 393.915 2.853 0 40 GFAB O=C1C[C@H](C(=O)Nc2cccc(C(=O)O)c2)n2ncc(-c3ccccc3)c2N1 20725036 QJWWWIKOQZMQFA-MRXNPFEDSA-N 376.372 2.770 0 40 GFAB CC(C)c1cc(C(=O)Nc2ccc(N(C)C)cc2)nn1[C@@H]1CCS(=O)(=O)C1 11906934 VLCYPIAYLTUBBZ-MRXNPFEDSA-N 390.509 2.684 0 40 GFAB Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCc3ccco3)cc2c1 875482 QMSCGGBDUHRTJB-UHFFFAOYSA-N 385.489 2.607 0 40 GFAB CCn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCCCC1 1325606 JIGKGQOVRLTVQU-UHFFFAOYSA-N 392.554 2.875 0 40 GFAB O=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NCc1ccccc1 1346776 WFYAIRRLIZNRQZ-UHFFFAOYSA-N 384.436 2.636 0 40 GFAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC[C@H](C)C1 4161298 UIXMTPHUIAGVEB-INIZCTEOSA-N 388.537 2.866 0 40 GFAB CCOC(=O)[C@H]1[C@H](c2ccc(SC)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4476996 LYAQGMNUNZHKRV-YZLZLFLDSA-N 394.489 2.575 0 40 GFAB Cc1ccc(-n2nc(C)c(C(=O)Nc3cccc(CS(C)(=O)=O)c3)n2)c(C)c1 84142296 QZXFRGHCMLLKIC-UHFFFAOYSA-N 398.488 2.989 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)o1 7026470 HPOGCYNLWKIJGG-UHFFFAOYSA-N 393.446 2.985 0 40 GFAB COc1ccc(C(=O)COC(=O)CSc2nc(C)cc(C)n2)cc1OC 7786766 JCNGKWFFZOIGPN-UHFFFAOYSA-N 376.434 2.629 0 40 GFAB CC(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 57810300 NNMOZTPCXNRCBU-UHFFFAOYSA-N 396.462 2.901 0 40 GFAB COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 667573 ZQGHDMLXNYMZEE-UHFFFAOYSA-N 390.505 2.557 0 40 GFAB CCOc1ccc(Br)cc1[C@@H]1NC(=O)N(C)C(C)=C1C(=O)OC 684068 GHCXWIBKDBGUOP-AWEZNQCLSA-N 383.242 2.991 0 40 GFAB CCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 22276606 UYIKWXJZJAKETI-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H](C)O[C@@H](C)C1 20925615 JYQRAOVQVWWAHK-HEHGZKQESA-N 384.929 2.827 0 40 GFAB COc1cc(OC)c(CNC[C@@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 23718669 NUZWGVWCNQMDHK-LJQANCHMSA-N 386.492 2.703 0 40 GFAB CCN(c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1)S(=O)(=O)CC 113972399 SCPPVKAQSIZWSG-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCc3[nH]c4c(C(=O)OC)cccc4c3C2)cc1 24556182 HTZZYLZHJCTRJI-UHFFFAOYSA-N 392.411 2.940 0 40 GFAB CS(=O)(=O)Nc1cccc(CN[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 24762854 GBRBDLQZCDYGMB-LJQANCHMSA-N 387.505 2.511 0 40 GFAB CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1=O 52410970 UBQGDLKARLEECP-SFHVURJKSA-N 393.487 2.855 0 40 GFAB COC(=O)c1ccccc1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 56519059 MVGYVJNPNHASIV-UHFFFAOYSA-N 387.461 2.961 0 40 GFAB COc1cc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc(OC)c1OC 28783899 CQDTXUYEECWQHQ-UHFFFAOYSA-N 377.368 2.576 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4C)[C@H]3C2=O)cc1C 101169338 RCENVAMDHBFNCK-RBUKOAKNSA-N 391.431 2.544 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1C(=O)N1CCCCC1 20108994 RYSGFEHDHCTLCH-UHFFFAOYSA-N 380.510 2.884 0 40 GFAB Cc1c(C(=O)NCCC(=O)OC(C)C)sc2nc3n(c(=O)c12)CCCCC3 52612987 JMZVPZSOYMCRSN-UHFFFAOYSA-N 391.493 2.564 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 10249237 BVRSFIXAYKAOQO-UHFFFAOYSA-N 396.900 2.781 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](c3nc(O)cc(-c4cccnc4O)n3)C2)c1 100745133 VBDZYQGVKWPJPN-CQSZACIVSA-N 392.415 2.588 0 40 GFAB O=C(CN1CCOc2ccccc21)NC1CCN(C(=O)C2CCCCC2)CC1 78564868 UIRXANOLLABGKI-UHFFFAOYSA-N 385.508 2.573 0 40 GFAB O=C1N[C@H](c2cc(F)ccc2F)C(=O)N1c1cccc(-c2nnnn2C2CC2)c1 58378689 GRKUFTJOPSXHMT-MRXNPFEDSA-N 396.357 2.751 0 40 GFAB O=C(Nc1ccccn1)C1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 48289211 KZPJOQWFPHDJOG-UHFFFAOYSA-N 386.839 2.951 0 40 GFAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 10846869 NUDFUDWYCDDUNI-SMDDNHRTSA-N 398.481 2.607 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2ccccc2)CC1 12791801 IEWUHAHMLXNETG-UHFFFAOYSA-N 380.492 2.715 0 40 GFAB Cc1noc(CN2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)n1 36833464 RFLMNQNSLFJMBF-UHFFFAOYSA-N 384.509 2.974 0 40 GFAB CCNC(=O)[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 12822068 XZSDOFZOBKEEOB-BDAKNGLRSA-N 377.666 2.511 0 40 GFAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1Cc1ccco1 3546323 SHERFGROSMXFGE-UHFFFAOYSA-N 397.431 2.662 0 40 GFAB Cc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3548084 SXGPAJNVKRKMMM-IZZDOVSWSA-N 386.473 2.668 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1Cl 12993453 JZJQGQIOVJCZAQ-QGZVFWFLSA-N 380.897 2.959 0 40 GFAB NC(=O)[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(F)cc1 8744858 IMJAWOOTIJPXFB-HNNXBMFYSA-N 395.419 2.979 0 40 GFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@H](O)c2ccc(F)cc2)C1 25054586 SYTKWDGZJYJPEG-KUHUBIRLSA-N 388.464 2.886 0 40 GFAB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccnc1 4271561 ATIRKYIMTKAAKL-QGZVFWFLSA-N 383.835 2.948 0 40 GFAB O=C(O)c1ccc2c(c1)C(=O)N(c1cc(C(=O)O)ccc1Br)C2=O 4259033 JJXZUWSWALTOPV-UHFFFAOYSA-N 390.145 2.646 0 40 GFAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O 4249372 MPVFVTRQSVBMOO-UHFFFAOYSA-N 387.871 2.748 0 40 GFAB Cc1c(CC(=O)N[C@H](CO)C(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8879600 RHHNPXVWGJKNMX-QGZVFWFLSA-N 387.476 2.881 0 40 GFAB biogenic O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCSc2ccccc21 14171711 PUNFEBIGAREOKG-UHFFFAOYSA-N 398.513 2.851 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 14119580 FPGHXOVYHXXBEV-QGZVFWFLSA-N 383.835 2.929 0 40 GFAB Cc1c(Cl)cnc(NC(=O)COC(=O)CNC(=O)c2ccccc2)c1Cl 6551615 HZEMCXGCXZMJCD-UHFFFAOYSA-N 396.230 2.609 0 40 GFAB Cn1ncc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1C(F)F 66302972 PFBDBAGABFRKGT-OAHLLOKOSA-N 398.841 2.814 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 66344330 BYQXMJFFQMJEPC-AWEZNQCLSA-N 391.468 2.877 0 40 GFAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCCC(C)C)c(=O)c1CCO 67301563 XSBUDRVTBMVPMP-UHFFFAOYSA-N 391.899 2.569 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2F)c(OC)c1 15829619 DJCJSQMLGCVFRI-SFHVURJKSA-N 386.423 2.936 0 40 GFAB CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CC[C@@H](C)C2 19797095 AXDYIWZNBUYMEA-GFCCVEGCSA-N 381.567 2.994 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7837768 GJFUBJDWXLFDHD-MJGOQNOKSA-N 394.471 2.904 0 40 GFAB O=C(NCC(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1 7955435 CMRSAOJJPHYUDH-UHFFFAOYSA-N 375.831 2.558 0 40 GFAB CC(C)C(=O)N1CCCN(C(=O)NCc2cccc(CN3CCCC3)c2)CC1 69266998 MJJCWFHCUCZPGH-UHFFFAOYSA-N 386.540 2.682 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20481178 GVRCFNXODDDKPM-UHFFFAOYSA-N 395.912 2.855 0 40 GFAB CCOc1ccc(NC(=O)c2noc(-c3cc(F)cc(F)c3)n2)c(C(N)=O)c1 72310349 GVEOUVVGDMPMCO-UHFFFAOYSA-N 388.330 2.765 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)n(C)n1 95998482 JODOXDOGSHVBKJ-FQEVSTJZSA-N 393.491 2.804 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@@H](O)c2ccc(F)cc2)sc1Br 95972863 PXRNSBHNUQTPET-LLVKDONJSA-N 394.287 2.970 0 40 GFAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCOC[C@@H]1c1ncon1 95981309 XZBXPQCZHZVBGY-CYBMUJFWSA-N 377.198 2.527 0 40 GFAB CCc1cc2oc(=O)cc(CN3CCN([C@@H]4CCOC4)CC3)c2cc1Cl 89283006 IMXDYQFKMPCBCM-MRXNPFEDSA-N 376.884 2.915 0 40 GFAB Cc1ccc(CN2C(=O)C[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 9969118 MLJOPXSOFRHQJB-HXUWFJFHSA-N 381.451 2.584 0 40 GFAB Cc1ccc(CN2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)s1 306135370 OOXLRMQVCHEWSE-UHFFFAOYSA-N 393.520 2.822 0 40 GFAB COc1ccc(N(CCCC(=O)NCc2ccccc2)S(C)(=O)=O)cc1 113961438 FDRRIMFNEAXBRB-UHFFFAOYSA-N 376.478 2.558 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 409000412 WHTVXYJNGAFPBI-UHFFFAOYSA-N 389.839 2.630 0 40 GFAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccccn1 408704873 UUUZWUBBIAJGRS-UHFFFAOYSA-N 381.457 2.840 0 40 GFAB Cc1cccc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)n1 306125197 CIXOXWSNBHSGGY-UHFFFAOYSA-N 385.475 2.817 0 40 GFAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCOc2cccc(F)c2C1 513907276 JQJNOLJLKHSLKU-UHFFFAOYSA-N 398.843 2.885 0 40 GFAB Cn1cc(CN2CCC3(CC2)NC(=O)c2sc(-c4ccccc4)nc23)cn1 306128634 HGWCUMSSFAJOIP-UHFFFAOYSA-N 379.489 2.778 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(c2ncc3ccccn23)CC1 31773203 QJHFQCDSFGICJP-UHFFFAOYSA-N 385.445 2.631 0 40 GFAB CSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 30938140 VBOACZJVOFLPBD-OAHLLOKOSA-N 378.475 2.574 0 40 GFAB CCc1ccc(NC(=O)Cn2c(=O)c3cc(Cl)ccc3n3nncc23)cc1 8604001 CTRPPGAGQKQIRV-UHFFFAOYSA-N 381.823 2.899 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 223586945 JGOXXYFDXGKERK-OALUTQOASA-N 382.464 2.976 0 40 GFAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCCCC3)n2)cc1 225929902 LVFBLVCFFULDTQ-UHFFFAOYSA-N 387.509 2.971 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3sncc3c2)ccc1OC 222912765 KWGXPMZWWSUNBU-UHFFFAOYSA-N 391.474 2.855 0 40 GFAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220141406 SOTCYAAEKWRXIX-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224159976 YONYAWLPOTWYTO-OAHLLOKOSA-N 398.525 2.904 0 40 GFAB CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)[C@@H](c2ccccc2)C1 195564857 KPTHEAMGOZHNTN-RBUKOAKNSA-N 381.476 2.647 0 40 GFAB Cc1ccc(CN2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 96225906 GQDBQXMRFVBMIN-QFIPXVFZSA-N 378.476 2.769 0 40 GFAB CC[C@@H](CNS(=O)(=O)c1ccsc1C(=O)O)N1CCc2ccccc2C1 579391360 LDWZAGGWGZQAMY-HNNXBMFYSA-N 394.518 2.562 0 40 GFAB CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(Cl)cc1 96519976 KOVYNRMMISVPGL-RKDXNWHRSA-N 395.045 2.746 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(C(=O)O)cc1 95475631 QTOVEMKJCPIZDA-INIZCTEOSA-N 389.433 2.877 0 40 GFAB CCc1cnc(N2CCc3cc(C(=O)N(C)C)c(NCC4CC4)nc3CC2)nc1 96260576 KZPZTCUDHFGKFV-UHFFFAOYSA-N 394.523 2.563 0 40 GFAB CN1CCN(c2nc(-c3ccc(Br)cc3)c(CC(=O)O)s2)CC1 95097154 HWBUTFFEJJBYLW-UHFFFAOYSA-N 396.310 2.952 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)CN3CC[C@H]4CCCC[C@@H]4C3)ccc21 247497510 DKQDALSLAVGQMU-CRAIPNDOSA-N 376.522 2.704 0 40 GFAB Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1 244161207 UYANTFMHHQJMOE-UHFFFAOYSA-N 397.294 2.983 0 40 GFAB Nc1nc(N)c2c(n1)O[C@@]1(CCN(CC(c3ccccc3)c3ccccc3)C1)C2 257237291 HFWDAXNWJIEMPK-QHCPKHFHSA-N 387.487 2.853 0 40 GFAB Cn1oc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1=O 585139829 AUWPNSWNOXJZDD-CQSZACIVSA-N 384.354 2.989 0 40 GFAB NC[C@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC[C@H]1C(F)(F)F 625853677 YTIVBSDZQZYPGH-GOEBONIOSA-N 381.402 2.922 0 40 GFAB COc1ccc(C(=O)CN(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1OC 575422102 KVLXHRUKAWDLPN-QGZVFWFLSA-N 387.457 2.704 0 40 GFAB Cc1cccc(N2CCC(O)(CN3CCC[C@]4(C)NC(=O)CCC[C@H]34)CC2)c1 585282306 DCHPFIIJEXPSOK-UNMCSNQZSA-N 385.552 2.850 0 40 GFAB CCN1C(=O)CCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccc(C)cc2)CC1 585283880 PKOKUNVTJDPZDT-SFTDATJTSA-N 385.552 2.802 0 40 GFAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc(C)c(C)o4)CC3)[C@H]2C1 585106245 ZATBMMSMDQQSQN-QGTPRVQTSA-N 387.524 2.595 0 40 GFAB CCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5706801 GAXCZUJCTFFZLL-RBUKOAKNSA-N 398.459 2.894 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 12184802 XULRIXPFBMBTDH-UHFFFAOYSA-N 395.507 2.523 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 12205173 LGHFYKHEWJFKKA-ZIAGYGMSSA-N 379.888 2.732 0 40 GFAB Cc1cc(C)nc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 12374362 HQKRMDTWWLICOM-UHFFFAOYSA-N 394.884 2.784 0 40 GFAB COc1ccc(C(=O)N2CCC(CC(=O)NCCc3ccccc3F)CC2)cn1 19748457 JOBQUDMPFYRGLA-UHFFFAOYSA-N 399.466 2.831 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CC1CCN(Cc2ccccn2)CC1 19748760 DIYYAECMZYEHSZ-HXUWFJFHSA-N 395.503 2.982 0 40 GFAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(Cc3ccccc3)CC1)C(=O)C2 19972762 PMKBLFJSSLFUQR-RXVVDRJESA-N 390.549 2.529 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)CC2)n1 245015198 LQIBGCQTPBJFEB-SFHVURJKSA-N 383.448 2.636 0 40 GFAB Cc1cc(N2CCN(c3nc(C4CC4)nc(C)c3F)CC2)n2nc(C)cc2n1 1888903783 AYSFXVSWVYDQQU-UHFFFAOYSA-N 381.459 2.788 0 40 GFAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2nnc(C3CC3)o2)CC1 1848745847 RXZAHYQLCHUQHK-UHFFFAOYSA-N 383.427 2.708 0 40 GFAB Cc1cc2c(cc1CN1CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C1)OCO2 2037983685 CFRXDOIYAPBAJX-HSZRJFAPSA-N 394.471 2.979 0 40 GFAB CC(C)Sc1nc(-c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 7392696 BMJQNJJQRJSVSB-UHFFFAOYSA-N 376.869 2.848 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 15781465 JBSDOPUBFLXLCV-UHFFFAOYSA-N 398.481 2.729 0 40 GFAB O=C(CSc1nc2ccccc2o1)N1CC(c2nc(-c3ccncc3)no2)C1 49481678 BBIVYANILKLQFJ-UHFFFAOYSA-N 393.428 2.991 0 40 GFAB Cc1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 7813810 BXMSSKHUHJQJIV-CQSZACIVSA-N 395.415 2.619 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cn1 225791060 UBPGYTIVSWUDPJ-UHFFFAOYSA-N 381.480 2.500 0 40 GFAB C[C@@H](NC(=O)c1ccc(Cn2nnc3ccccc32)cc1)C(=O)N1CCCCC1 40150243 DGKXSMTWHANTRK-MRXNPFEDSA-N 391.475 2.610 0 40 GFAB CC(C)c1nnc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)s1 40104039 LUIMPAVQFOFYCX-HUUCEWRRSA-N 377.514 2.694 0 40 GFAB CCc1nnc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)s1 100306224 CPEZDFKUCPUWGR-APYUEPQZSA-N 394.456 2.664 0 40 GFAB O=C(NCCSC1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 46454129 CXXKNAXLLKQTLS-ZDUSSCGKSA-N 376.478 2.560 0 40 GFAB CCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2ccccc21 1370924 MTERPNRHCLUOQG-UHFFFAOYSA-N 388.468 2.706 0 40 GFAB O=C(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 21733753 BEDFKLVEDIOFGZ-UHFFFAOYSA-N 393.848 2.920 0 40 GFAB CC(C)[C@@H](C(=O)NCCCN(C)c1ccccc1)N1C(=O)c2ccccc2C1=O 32986246 FUAATGMSRCEJGQ-FQEVSTJZSA-N 393.487 2.950 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O 32936715 XTFQWSMTUIPIRP-KRWDZBQOSA-N 387.386 2.828 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc4c(c3)OCO4)CC2=O)cc1 8922389 UVYGHENGPUAWMT-INIZCTEOSA-N 395.411 2.757 0 40 GFAB O=CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 12322515 BKPGBMYNVDHCOA-NRFANRHFSA-N 393.443 2.647 0 40 GFAB COc1cccc(Cn2cc(NC(=O)c3n[nH]cc3Br)cn2)c1 28230493 BDKYCIUZAOMERI-UHFFFAOYSA-N 376.214 2.678 0 40 GFAB CC(C)(C)SCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606759 JBZGFKRADDPMHR-ZDUSSCGKSA-N 390.596 2.797 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)O[C@@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 24753813 HEDGKAWWDLKENK-XHSDSOJGSA-N 390.480 2.536 0 40 GFAB COc1cc2c(cc1OC)CN(CN1C(=O)N[C@@]3(CCCC[C@H]3C)C1=O)CC2 34859828 ZXXVTBLHDWIJHN-SPLOXXLWSA-N 387.480 2.520 0 40 GFAB Cn1nc(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c2ccccc2c1=O 55999137 VZKTWBKDHMEWBL-QGZVFWFLSA-N 379.435 2.849 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 25631152 MCWTZNGPKOMEAD-MRXNPFEDSA-N 396.487 2.840 0 40 GFAB CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NCCc1ccccc1 8707590 KBKNXXQLXWZSIZ-UHFFFAOYSA-N 379.504 2.936 0 40 GFAB CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 54143834 AROKVHSVQOWHTF-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB O=C(CN1CCN(c2ncccn2)CC1)N[C@H](c1ccccc1)c1cccs1 35392635 AOKFDDORRDLWMD-HXUWFJFHSA-N 393.516 2.566 0 40 GFAB COCCn1c(SCC(=O)Nc2ccccc2F)nc2ccsc2c1=O 57425766 OCJILRKFAIQLHY-UHFFFAOYSA-N 393.465 2.974 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)NCC(F)(F)F 3288351 GVLUEKLXEXSMNN-CMDGGOBGSA-N 381.354 2.724 0 40 GFAB CS(=O)(=O)c1ccccc1-n1cc(C(=O)Nc2ccc(F)c(F)c2F)cn1 108671237 UWWCVQNNPVQVMI-UHFFFAOYSA-N 395.362 2.945 0 40 GFAB Cn1cc(C(=O)NC2CCN(CCOc3cccc4ccccc34)CC2)cn1 58172154 JOQRZLWQUBPXHU-UHFFFAOYSA-N 378.476 2.847 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2146596 ZJYSGPVQOPXGFH-FQEVSTJZSA-N 381.384 2.676 0 40 GFAB biogenic COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 44999076 MTVGIDRHOJIVBG-HNAYVOBHSA-N 380.444 2.699 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1[nH]nc(C2CC2)c1Br 58394185 HBKLRWKBHFRMNN-NSHDSACASA-N 392.253 2.962 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1 58377487 FHDARWUZIKPDDT-UHFFFAOYSA-N 376.331 2.762 0 40 GFAB CC1CCN(C[C@H]2CCCN(C(=O)[C@@H](C)NC(=O)c3cccs3)C2)CC1 58330985 XOJZTQDRCZLVLE-IAGOWNOFSA-N 377.554 2.837 0 40 GFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCc2ccc(F)cc21 58496832 SPAKKSMABUEXHS-XVNBXDOJSA-N 377.393 2.684 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(=O)OC)cc1 2253622 WODAYRVMCOXOFV-ABAIWWIYSA-N 388.445 2.685 0 40 GFAB O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(N2CCOCC2)nc1 10718768 TYSQUIROROFEQJ-UHFFFAOYSA-N 394.500 2.901 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)CCC3)c1 10894980 VBNVSGGDJIXOEK-UHFFFAOYSA-N 386.473 2.685 0 40 GFAB Cc1cc(C)c(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)c(=O)[nH]1 12792365 FWSJTTHCKZFVNL-UHFFFAOYSA-N 399.516 2.636 0 40 GFAB C[C@H](NC(=O)CCN1CCN(CCOc2ccccc2)CC1)c1ccccc1 28883647 ZETWVPGMMHIPFC-FQEVSTJZSA-N 381.520 2.951 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 12816131 BKICFZUULNQDKN-UHFFFAOYSA-N 378.519 2.948 0 40 GFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)c(F)c1 12871070 VHYGEWSJWBISHE-NSHDSACASA-N 380.416 2.897 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3462525 XCADDEXDCYMWOH-IBGZPJMESA-N 389.814 2.563 0 40 GFAB CC(C)c1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccccc3)CC2=O)c1 13022408 SUDSUZJPXBSQLW-IBGZPJMESA-N 393.487 2.709 0 40 GFAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-n2cnnn2)c1 13001794 WLHXYKXZZVTLPJ-UHFFFAOYSA-N 382.767 2.723 0 40 GFAB CC(=O)c1ccccc1OCCOC(=O)CCS(=O)(=O)c1ccc(C)cc1 8637499 MAFGXAOSAVVRKS-UHFFFAOYSA-N 390.457 2.984 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 13427565 IXMSUSZGWRURMA-KRWDZBQOSA-N 382.420 2.967 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 6086801 ZUBCZRJXPCRAGP-UHFFFAOYSA-N 379.416 2.992 0 40 GFAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc(I)cc1 14180162 WXLLLOOZPROAHN-UHFFFAOYSA-N 395.196 2.992 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1 6510831 WIAQGNJUERDKIV-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB COCCCn1c(SCC(=O)N2CCCC2)nc2cc(Cl)ccc2c1=O 71794589 FPKJYANJZHKAFX-UHFFFAOYSA-N 395.912 2.801 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(N2CCCC2=O)c1 6988636 XULBWLRSRIKYMC-UHFFFAOYSA-N 384.461 2.578 0 40 GFAB C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 67278857 WYMBDAYLILVTQZ-WDEREUQCSA-N 378.778 2.777 0 40 GFAB O=c1[nH]c(CSc2nnc(NC[C@H]3CCCO3)s2)nc2ccsc12 9548600 OOIMDINFHBVQQA-MRVPVSSYSA-N 381.508 2.719 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1cccc(-n2cnnn2)c1 7183659 VGWFYGFNMCUWIM-ZDUSSCGKSA-N 394.460 2.870 0 40 GFAB O=C(COC(=O)c1ccc(-n2cncn2)cc1)N[C@@H]1CCCc2ccccc21 7280178 VSBJQPZAXXTFDL-LJQANCHMSA-N 376.416 2.618 0 40 GFAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 8307957 QQNVOSPIVZCGMZ-LJQANCHMSA-N 396.510 2.685 0 40 GFAB CC(C)c1nnc(SCc2cc(=O)n3ccsc3n2)n1C[C@@H]1CCCO1 17080009 ILXUXACMCAWTAT-ZDUSSCGKSA-N 391.522 2.942 0 40 GFAB C[C@@H]1COCCN1CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 72309094 DFBKVXLOOSRNEX-QRWLVFNGSA-N 378.900 2.858 0 40 GFAB NC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3F)cn2)C1 97324531 PSGMVXMRCVZILZ-NSHDSACASA-N 376.819 2.828 0 40 GFAB CC[C@@H](CO)N1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 95443517 JOUCIFLICYBZIP-IBGZPJMESA-N 398.503 2.673 0 40 GFAB Cc1cnc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)cn1 95998590 HLCUDHVQBMIFPT-IBGZPJMESA-N 395.438 2.940 0 40 GFAB O=C(Nc1ccc(-c2ccccn2)cn1)c1ccc(S(=O)(=O)NC2CC2)cc1 95977623 JCIFBPJCXRVACH-UHFFFAOYSA-N 394.456 2.837 0 40 GFAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 408554493 SJMYYJQLKWMMQS-UHFFFAOYSA-N 378.406 2.842 0 40 GFAB Oc1nc(-c2cccnc2)nc2c1CN(Cc1cccn1-c1cccnc1)CC2 72339855 VQUVFWPEHFCQSL-UHFFFAOYSA-N 384.443 2.988 0 40 GFAB Cc1nc([C@H]2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C2)n[nH]1 561131008 KXQCBQYFPOEHTB-NSHDSACASA-N 389.872 3.306 0 40 GFAB CCc1ccc(N(CC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1 223785882 IQHNZUPLZMFNLV-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)N1C(=O)CCCc2ccccc21 227169325 ICVRGGLYBNGMFP-CYBMUJFWSA-N 379.416 2.714 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)c1 225840913 RDXOEBPNURVTIM-UHFFFAOYSA-N 389.521 2.865 0 40 GFAB CCCSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)s1 225780255 GFTOGQHLUGENRZ-UHFFFAOYSA-N 386.524 2.972 0 40 GFAB O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@@H](N2CCCC2=O)CC1 569570539 YZRLHQKPKDABTR-GOSISDBHSA-N 381.480 2.559 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2C)cc1OC 224802123 CEFASONNTCZFDO-UHFFFAOYSA-N 379.434 2.601 0 40 GFAB Cc1ncn(CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(=O)c1C 77100936 WAIPOAANYGPMEW-UHFFFAOYSA-N 383.473 2.506 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 223999983 UTUTUDOYJLMMEQ-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)C)cc2C)cc1 224220379 ARJWRZPICRIWPL-UHFFFAOYSA-N 376.478 2.967 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2ccc(C)c(C)c2)NS(C)(=O)=O)cc1 225955350 QNQRNZDMUGONDV-SFHVURJKSA-N 376.478 2.931 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(c2ccccn2)CC1 43941391 LJKNWSMERLPDTG-UHFFFAOYSA-N 384.505 2.775 0 40 GFAB CCOc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 224879742 ZZGVMBBTWFVWEO-UHFFFAOYSA-N 380.441 2.625 0 40 GFAB COCCN(C)c1cnn([C@@H]2CCCN(Cc3cc(C)cc(C)c3)C2)c(=O)c1 583618341 PIBHXPTWXPAYNQ-HXUWFJFHSA-N 384.524 2.780 0 40 GFAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96241974 NGGXDUIUTAGSDE-SFHVURJKSA-N 399.535 2.874 0 40 GFAB CN1C[C@H](NCc2cccc(Cl)c2)CCC[C@@H](C(=O)NC2CC2)CC1=O 96113402 JNHRXOCIWAONRZ-CRAIPNDOSA-N 377.916 2.725 0 40 GFAB biogenic,in-vitro O=C(C1CCSCC1)N1CC2(C1)OCC[C@H]2CCOCc1ccncc1 247872466 RIPFWRZBWVJPFH-GOSISDBHSA-N 376.522 2.749 0 40 GFAB CC1(C)NC(=O)CC[C@H]1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 585080441 RRVHYBDHPDEKSQ-LLVKDONJSA-N 384.807 2.694 0 40 GFAB CC1=CC2(CCN(S(=O)(=O)c3cc(-c4cc[nH]n4)oc3C)CC2)OCC1 1704325785 RJLMSJCJMWNBIG-UHFFFAOYSA-N 377.466 2.868 0 40 GFAB Cc1ccc(NC(=O)c2coc(C(F)(F)F)n2)cc1C(=O)N1CCOCC1 635864088 CYAUBCXNPYYIJO-UHFFFAOYSA-N 383.326 2.727 0 40 GFAB Cc1ncsc1C(=O)N1CCC(c2cncc(-c3cnc(C)n3C)n2)CC1 585177418 APMFZTRNGQYCGU-UHFFFAOYSA-N 382.493 2.970 0 40 GFAB Cc1c(Cl)cc(S(=O)(=O)N2CCC(n3ccnc3)CC2)cc1C(=O)O 580895405 ASUIFNJZJPAKDG-UHFFFAOYSA-N 383.857 2.569 0 40 GFAB CCn1ncc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1C 1615157366 MPTXLAZPCOGWLS-JOCHJYFZSA-N 396.491 2.640 0 40 GFAB O=C1OC2(CCN(Cc3nccs3)CC2)[C@H]2CN(Cc3ccccc3)CCN12 1549162499 RDAZDZUCXWYMIM-GOSISDBHSA-N 398.532 2.814 0 40 GFAB Cc1nnc2sc(SCC(=O)Nc3ccc(C(C)C)cc3)nn2c1=O 5143811 HFRNXOOCADFNHV-UHFFFAOYSA-N 375.479 2.709 0 40 GFAB COc1cccc(CNC(=O)CN2CCC(c3ccc4c(c3)OCO4)CC2)c1 12113993 LXHOBEXNKAIOJS-UHFFFAOYSA-N 382.460 2.920 0 40 GFAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCC2)C1=O 12241937 SWJKPSFMILVDQL-INIZCTEOSA-N 382.416 2.637 0 40 GFAB CN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 13584791 LVMNCGHNOJCANI-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 14019367 BPEBKZSGQYMNJK-HNNXBMFYSA-N 376.453 2.889 0 40 GFAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(C(=O)O)cc1 19097023 NAUTZBQJQHVZSC-UHFFFAOYSA-N 379.401 2.935 0 40 GFAB O=C(NC[C@H]1CCCO1)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293664 HIVWISQKOVTKSM-QZTJIDSGSA-N 390.455 2.801 0 40 GFAB CC(C)CN1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19447197 OVIIRBADKTYCMM-IBGZPJMESA-N 384.528 2.726 0 40 GFAB CC[C@@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19500600 CSDPWUUMPHUCOK-SFHVURJKSA-N 398.511 2.786 0 40 GFAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)C)CCO1 19529206 UBKRPOCHZNUNMC-HSZRJFAPSA-N 395.503 2.681 0 40 GFAB COc1ccc(C2=C(c3ccccc3)C(N3CCC[C@H](O)C3)=NS2(=O)=O)cc1 19553857 GYEQIIZGDMDTMM-KRWDZBQOSA-N 398.484 2.762 0 40 GFAB COc1ccc(OCC(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)cc1 19556756 HQGZCQBVXXZFEN-INIZCTEOSA-N 393.443 2.717 0 40 GFAB COCCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C 205718362 JLXADGDGZZPISF-OQLLNIDSSA-N 380.466 2.739 0 40 GFAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1ccccc1-n1cnnn1 9216613 CSEANRDXILSPAL-UHFFFAOYSA-N 379.811 2.813 0 40 GFAB COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C)ccc2c1[C@@H](OC(C)=O)C[C@@H](C)C2 229776112 PLYNBLLEIDIMDU-LQTZPYSKSA-N 390.476 2.870 0 40 GFAB biogenic,in-vitro C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N(C)Cc1ccccc1 4462689 ZUPCECXRHYCGDD-ZDUSSCGKSA-N 384.457 2.935 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)s1 12326796 AZJAXJLTTKUMEQ-UHFFFAOYSA-N 398.444 3.000 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)CCn3nc(C)nc3C)C1)O2 13227478 GTXMGLXEXYMFHA-DYESRHJHSA-N 396.491 2.866 0 40 GFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2cnnc2)cc1 19659378 YMNAUTACJPYYED-UHFFFAOYSA-N 384.823 2.664 0 40 GFAB CCn1c(C)nc2cc(C(=O)NC[C@]3(O)CCCN(c4ccccn4)C3)ccc21 2037880081 VPNLYHUWQCFYHI-JOCHJYFZSA-N 393.491 2.521 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccccc1 4479105 RLRCBVFRKXVBKA-UHFFFAOYSA-N 379.807 2.874 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 5438643 YMLBOMJLXYJCCU-UHFFFAOYSA-N 387.461 2.827 0 40 GFAB c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCCC[C@@H]2[C@@H]1N1CCOCC1 36075325 NNKLHIKTXJPZQM-AGHHOFFYSA-N 382.508 2.598 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19336673 XWQBINUPYJOEDD-SFHVURJKSA-N 393.422 2.894 0 40 GFAB O=C(COC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)Nc1cccc(F)c1 31507993 IQPLWBBZPVJYSE-CYBMUJFWSA-N 390.436 2.921 0 40 GFAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCc4ccccc4Cl)n3)c2n1 32089053 XMWBQYLIFXHUTI-UHFFFAOYSA-N 382.811 2.980 0 40 GFAB COc1ccccc1NC(=O)Cn1cnc2c(oc3nc(C)cc(C)c32)c1=O 32095065 CCGLLFZDCUGVHH-UHFFFAOYSA-N 378.388 2.802 0 40 GFAB CC[C@H](C)n1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O 20757985 BOZXGOZPEVRBCU-SGTLLEGYSA-N 382.464 2.662 0 40 GFAB biogenic CCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)CC1 21463470 BKYZKKPBGFDDCT-OAHLLOKOSA-N 388.537 2.622 0 40 GFAB CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc3c(c2)OCO3)c1C 1562627 MGFOJLPPUZNVDA-UHFFFAOYSA-N 389.408 2.535 0 40 GFAB COc1cc(CN(C)C(=O)c2cnc3ccccn3c2=O)ccc1OC(F)F 32899954 LYXYURWITBMYMV-UHFFFAOYSA-N 389.358 2.577 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc(O)cc1O 6080962 SKQHHFYTGJWGSR-UHFFFAOYSA-N 381.388 2.696 0 40 GFAB CNC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1 32903367 FSRBJLCDLCSOBO-KRWDZBQOSA-N 386.427 2.970 0 40 GFAB CN1CCN(C(=O)c2ccc(CNC(=O)Cc3ccccc3Cl)cc2)CC1 32930569 QXEJLUJSDAQOBN-UHFFFAOYSA-N 385.895 2.587 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCOCC2)sc2c1CC[C@H](C)C2 21822434 XUNRZMFDJQJKMI-STQMWFEESA-N 380.510 2.709 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 8218619 DDWUWVFVNJZWLN-NSHDSACASA-N 387.288 2.977 0 40 GFAB CCOCn1cc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cn1 8782555 JXNFZKMUNBCJKR-UHFFFAOYSA-N 384.436 2.672 0 40 GFAB Cc1cccc([C@@H](CC(=O)NC[C@H](C(C)C)N2CCC(C)CC2)NC(N)=O)c1 41400732 CRYHSAYBFZVBFN-WOJBJXKFSA-N 388.556 2.967 0 40 GFAB COc1cc(/C=C2\NC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(F)F 2774936 XENAFUKFZAJUSE-HBZGRHIISA-N 384.404 2.533 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(F)c1 47032812 FHTIWPLQMMTPCG-KRWDZBQOSA-N 394.468 2.568 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccc(Cl)cc1 8990678 FHGJKXFXETWNIA-UHFFFAOYSA-N 383.835 2.691 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1OC 9063886 IJDJLUMEAIXGNY-UHFFFAOYSA-N 384.404 2.914 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc2c(S(=O)(=O)N(CC)CC)cccc12 841044 RCUWMYJFXNBHTL-UHFFFAOYSA-N 398.550 2.901 0 40 GFAB CCOC(=O)C(=CNc1cccc(I)c1)C(=O)OCC 3096017 TUQHTOJOJGWLLQ-UHFFFAOYSA-N 389.189 2.713 0 40 GFAB COc1cccc(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 20490623 YWVVBIYWUSEROY-OAHLLOKOSA-N 381.432 2.899 0 40 GFAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)Nc3cccc(N(C)C)c3)C2=O)cc1 8997186 DRLWOVIRBWUMFG-QGOAFFKASA-N 394.431 2.730 0 40 GFAB CN(CC(=O)NC1CC1)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 24108239 VSSBWDXCRIZUQE-UHFFFAOYSA-N 398.303 2.840 0 40 GFAB COc1ccc(C[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 1280434 OSJFQOGIKDNPQW-SJLPKXTDSA-N 385.460 2.955 0 40 GFAB biogenic COc1ccc(C(=O)Nc2cccc3ncccc23)cc1S(=O)(=O)N(C)C 12580827 VMUKTLZBSQRFSM-UHFFFAOYSA-N 385.445 2.746 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)C[C@@]3(C(=O)O)CCSC3)cc2F)C[C@@H](C)O1 106866314 IODVYTRKSYWVOX-QUJCMNEKSA-N 396.484 2.976 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(C)o1 57624580 VZBHSHAOJXBMSI-HOCLYGCPSA-N 396.534 2.865 0 40 GFAB Oc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 25721198 NAOFEPNTXGKARV-AUSIDOKSSA-N 382.504 2.969 0 40 GFAB O=C1CN(c2ccc(NC(=O)c3ccc(F)cc3Br)cc2)CCN1 48280239 INNADNULNBPCBH-UHFFFAOYSA-N 392.228 2.777 0 40 GFAB Cc1c(NC(=O)c2cc(Br)c[nH]2)c(=O)n(-c2ccccc2)n1C 57959244 MXVKQSWJCABQEM-UHFFFAOYSA-N 375.226 2.827 0 40 GFAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnnn3C)c2)cc1 10085714 HCWUCSNGVQCUBC-UHFFFAOYSA-N 379.420 2.877 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 36071076 IXWKVYRUFZYGIZ-HXUWFJFHSA-N 384.501 2.940 0 40 GFAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 2136990 PFGOEDQADFCIEU-UHFFFAOYSA-N 383.539 2.767 0 40 GFAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007568 ALFKEIYBTXIZME-KSSFIOAISA-N 378.469 2.630 0 40 GFAB COc1ccc(Br)cc1CN(C)C(=O)CCN1CCSC1=O 45529097 WAZQLYSZFZZAEO-UHFFFAOYSA-N 387.299 2.975 0 40 GFAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c2ccccc12 11691681 FYBMBRPRDFVRDQ-ZDUSSCGKSA-N 384.251 2.840 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)Nc1ccccc1F 3419712 YBNHTHQHGDHECY-GFCCVEGCSA-N 395.390 2.666 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)NCc2ccc(OC)cc2)cc1OCC 3441875 RXHXBVRPPAZWAF-UHFFFAOYSA-N 387.432 2.966 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cnn(-c2ccccc2)c1 12923738 UXBJYCCOMOMQPB-OAQYLSRUSA-N 394.450 2.815 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCc3sccc3[C@H]2C)c1C 12996191 XJRPGWDVVWUFNR-CYBMUJFWSA-N 393.534 2.570 0 40 GFAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)no1 12916336 VUSXEWSJLNOBJA-IBGZPJMESA-N 394.431 2.714 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccco1)(Nc1nc(C2CC2)cs1)C(F)(F)F 3616054 GTNAADLPOIZJDC-CQSZACIVSA-N 389.355 2.887 0 40 GFAB O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2ccc(F)cc2)C1 306143044 XRQDSHJYXQDXNT-JOCHJYFZSA-N 376.435 2.992 0 40 GFAB Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(N)=O)nnc23)c1 4500467 ZPTHTCJNIIHPSD-ZDUSSCGKSA-N 393.472 2.616 0 40 GFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 408700346 DMIYFZIYXBHQKG-KRWDZBQOSA-N 394.537 2.842 0 40 GFAB O=C(CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccc[nH]1 8719075 QFWZYQVOTZFVLT-UHFFFAOYSA-N 387.440 2.546 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)c1ccccc1 5791804 JFHYSXZSNBYVIQ-YUNKPMOVSA-N 387.386 2.609 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O 5797920 VTNGLMQBTUROSU-XXHMAFKTSA-N 387.480 2.547 0 40 GFAB Cc1nc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)sc1C 62022825 JIVOGRDLCSLLNC-AWEZNQCLSA-N 383.481 2.591 0 40 GFAB COCCN1C=C(C(=O)OC)C(c2ccc(OC(C)C)cc2)C(C(=O)OC)=C1 4987000 GWUDFBWTEPPOBJ-UHFFFAOYSA-N 389.448 2.633 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(F)ccc3F)CC2=O)cc1 6947439 HUJCGUGXUIGERR-ZDUSSCGKSA-N 388.370 2.808 0 40 GFAB Cc1noc(C)c1CCC(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7362795 YWGKFRUAQQHIEJ-AWEZNQCLSA-N 399.447 2.920 0 40 GFAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OC 8869663 CFVHIKPOVCOHCL-IBGZPJMESA-N 395.411 2.738 0 40 GFAB CC[C@H](CO)N1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 95443518 JOUCIFLICYBZIP-LJQANCHMSA-N 398.503 2.673 0 40 GFAB COCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 22275535 QYXDZFJKIMKMQB-UHFFFAOYSA-N 390.505 2.570 0 40 GFAB CSC[C@H](CCO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 89493445 QTOZBCMWDOGQIB-VIFPVBQESA-N 377.837 2.751 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(CN4CCCC4=O)c3)C2=O)cc1 89633379 HVVPDEBYQNVKOJ-IBGZPJMESA-N 377.444 2.861 0 40 GFAB COc1cccc(-c2cc3c(N4CCN(c5ncccn5)CC4)nccn3n2)c1 67284919 VNAGYPMXMPLUTJ-UHFFFAOYSA-N 387.447 2.522 0 40 GFAB c1cncc(-c2cnc3c(N4CCN(Cc5nccs5)CC4)nccn23)c1 306126433 DVUTUAOVJUQBLZ-UHFFFAOYSA-N 377.477 2.570 0 40 GFAB COc1ccc([C@@H](CNC(=S)NCc2ccccc2)N2CCOCC2)cc1 32639077 CGHDJUTXSOJWIU-HXUWFJFHSA-N 385.533 2.733 0 40 GFAB O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCN(Cc2cscn2)CC1 531591437 PULNPIJKSMJTML-MRXNPFEDSA-N 388.493 2.661 0 40 GFAB Cc1[nH]ncc1CNC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccccn1 77199908 WSDLRMMROVJRSR-UHFFFAOYSA-N 393.838 2.944 0 40 GFAB COc1ccc(CNC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)cc1 32123998 CWXRGVLKXVFIMT-UHFFFAOYSA-N 393.443 2.947 0 40 GFAB biogenic COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@@H]2c2cccs2)cc1 32769179 PMYHHOBPXDWADV-QGZVFWFLSA-N 387.505 2.802 0 40 GFAB O=C(NCc1cccs1)C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70900739 FBIJFNGRTYCRDL-UHFFFAOYSA-N 398.488 2.538 0 40 GFAB CCn1c(=O)n(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c2ccccc21 31269464 TWSRJSDKESRIQW-JOCHJYFZSA-N 393.487 2.795 0 40 GFAB CC(=O)N1CCCN(C[C@@H]2CCCN(c3nc(-c4ccccc4)ns3)C2)CC1 562701854 CLSPRCWQHQBZOT-SFHVURJKSA-N 399.564 2.976 0 40 GFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@]21C(=O)Nc2ccc(Br)cc21 71282525 WTKXEANJCHYBPF-MRXNPFEDSA-N 391.225 2.750 0 40 GFAB Cc1ccccc1OCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 224412206 YWQNAQAFNQKWPW-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)c4cc(F)ccc4Cl)nnc3c2)n1 225746603 LFAUWNMXMCKTNZ-UHFFFAOYSA-N 386.774 2.810 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc3nccnc3c1)C2=O 47179253 JSPXWUTYVAYKGR-LRTDBIEQSA-N 395.463 2.705 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccccc1F 44841869 DDDBIRSDDPHSDJ-UHFFFAOYSA-N 385.848 2.731 0 40 GFAB COc1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1OC 222448269 REMUNBKRWGDLMV-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222837946 UDKWLODBXBSRJT-INIZCTEOSA-N 388.895 2.798 0 40 GFAB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 226320826 NAYFKERATFMCGJ-TVMMDAIPSA-N 388.489 2.823 0 40 GFAB COc1ccnc(N2CCN([C@H](C(=O)O)c3cccc(Cl)c3Cl)CC2)n1 572728331 KRJOURLKDWYGSO-HNNXBMFYSA-N 397.262 2.740 0 40 GFAB CCOC(=O)Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)CC)c2)cc1 225969175 DILJHSNZCXBBGX-UHFFFAOYSA-N 390.461 2.806 0 40 GFAB CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@@H]([C@H]34)[C@@]12C 575448251 GXBMHMVGIRRPBD-KQHBMAOISA-N 388.460 2.970 0 40 GFAB biogenic CC(C)NC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 514289683 BDXMPRYBFKMQSU-CNNODRBYSA-N 387.524 2.977 0 40 GFAB biogenic,in-vitro O=C(NCCCCCc1nc2ccccc2[nH]1)c1ccccc1-n1cnnn1 96117042 JSYAOESKFGLYCE-UHFFFAOYSA-N 375.436 2.681 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 96344855 SYSSLPASZFIAAB-ZDUSSCGKSA-N 377.404 2.513 0 40 GFAB COc1cc(C=O)ccc1OCc1nnnn1-c1ccc(Br)cc1 95533208 BGIMYTJNJLTIDM-UHFFFAOYSA-N 389.209 2.825 0 40 GFAB COc1ccccc1OCC(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 244975203 IGKZAXYCNDINLT-SHTZXODSSA-N 375.400 2.510 0 40 GFAB CC(C)c1cccc(C(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)c1O 248090925 FMNPDBGUDMKMGA-JOCHJYFZSA-N 396.491 2.686 0 40 GFAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1cccc(Cl)c1Cl 253473274 TYFMNWVASCWMCI-UHFFFAOYSA-N 391.262 2.961 0 40 GFAB COc1ccc([C@H]2C[C@@H](NC(C)=O)CC3(CCOCC3)O2)cc1Cn1cccn1 257267210 MGJRAMSZVUPQMX-TZIWHRDSSA-N 399.491 2.845 0 40 GFAB CCn1nc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)ccc1=O 600006726 RGEYTGNLZINOCB-MRXNPFEDSA-N 392.862 2.623 0 40 GFAB Cc1cc(-c2noc(CN3CC(=O)N(C)C3=O)n2)ccc1N1CCC[C@@H](C)C1 624539475 DXBUPBRAQBCKLZ-CYBMUJFWSA-N 383.452 2.675 0 40 GFAB Cc1cc(F)ccc1C1CCN(C(=O)c2cccc(-n3[nH]nnc3=N)c2)CC1 635952476 SJQXABLXHOXQIH-UHFFFAOYSA-N 380.427 2.542 0 40 GFAB CC[C@@]1(O)CCCN(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)C1 637287903 BRNKAERPNKJIHC-PZJWPPBQSA-N 376.497 2.829 0 40 GFAB Cc1nc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2coc(C)n2)c2ccccc23)co1 653915122 MMOGBZRGNOFBDG-NRFANRHFSA-N 392.415 2.724 0 40 GFAB COc1ccccc1-c1noc(C2CN(S(=O)(=O)Cc3cccc(C)c3)C2)n1 90567281 UOMGYQHDTSIGDD-UHFFFAOYSA-N 399.472 2.983 0 40 GFAB Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CCCc2sccc2C)C3)nc(C)n1 1615610325 ANXWWYYPBFBQHT-XAUMDUMWSA-N 398.532 2.815 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccc4ccc(C)nc34)C2)cc1 96377990 QVMUAUXDHVTANO-UHFFFAOYSA-N 396.468 2.850 0 40 GFAB O=C(Cc1ccc(O)c(F)c1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111112 DZIQNOUVWCOLJB-FQEVSTJZSA-N 395.434 2.749 0 40 GFAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(C)cc4)cnc32)cc1 1775966470 GIUBLUCSBRZEHB-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB CCOC(=O)NC(=O)COC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 5435684 AHLALYZGHXAYDU-UHFFFAOYSA-N 389.429 2.952 0 40 GFAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1-c1ncn[nH]1 12543614 GYUUJJRRXJAROW-UHFFFAOYSA-N 379.449 2.768 0 40 GFAB CN1CCC(c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)CC1 19083687 CWSPRLMLYFJBTQ-UHFFFAOYSA-N 382.512 2.505 0 40 GFAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](c3nc(C)n4ccsc34)C2)n1 19285850 DWXXJOVZWMPEIR-BLLLJJGKSA-N 386.525 2.955 0 40 GFAB O=C1S/C(=C/c2ccccc2Br)C(=O)N1CN1CCOCC1 19594144 ONDMQYJZVYMYDB-UKTHLTGXSA-N 383.267 2.775 0 40 GFAB Cc1noc(C)c1CC(=O)N1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 19712648 IWMSIBLFYGPODZ-JQVVWYNYSA-N 381.476 2.887 0 40 GFAB CCN(C(=O)c1cnn(C)c1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 19712775 KJSVVOHCTWWMDX-RTWAWAEBSA-N 398.507 2.781 0 40 GFAB O=C(/C=C/c1ccc(O)cc1)NCCCCNC(=O)/C=C/c1ccc(O)cc1 13451932 PYVBFDCHJDMSMM-FNCQTZNRSA-N 380.444 2.837 0 40 GFAB endogenous,in-man CCn1cc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2cccnc2)c(C)n1 19524679 YYNQBKAZQIXVSL-INIZCTEOSA-N 376.507 2.930 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(N(C)C)cc5)C[C@@H]4C3)n1)CCC2 1888890252 RRGKIGDKPYMEOU-ROUUACIJSA-N 391.519 2.548 0 40 GFAB O=S(=O)(CCC(F)(F)F)NC[C@](O)(c1ccsc1)c1cccs1 238882858 POLFZRKCICAEEZ-LBPRGKRZSA-N 385.454 2.917 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)c1 2037913118 SYYVNUJTPWPZBZ-NRFANRHFSA-N 389.423 2.889 0 40 GFAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)c2cc(OC)no2)C3)cc1 2056224669 OVEXVXOZSSJYBZ-ZDUSSCGKSA-N 375.450 2.504 0 40 GFAB COc1cccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 4569305 MYWBUBGETZMGES-QGZVFWFLSA-N 388.489 2.587 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)s1 10324804 XBKSEMYAFQLTNY-UHFFFAOYSA-N 375.475 2.872 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2c(F)cccc2F)c2ccc(F)cc2)CC1 22794583 IXBBLPBGIZUDAG-SFHVURJKSA-N 377.410 2.822 0 40 GFAB c1ccc(-c2ccc(N3CCN(c4ncnc5ccsc45)CC3)nn2)nc1 1775974312 PEGDZNWWCZGSAR-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(Cc5csc(C)n5)C[C@@H]4C3)ncn2)n1 585614753 IOQSRUMSRDOYJP-CALCHBBNSA-N 395.536 2.612 0 40 GFAB O=C(CNC(=O)OCc1ccccc1)NCc1ccnc(-c2cccnc2)c1 225640676 VOTJNNLMABTYQX-UHFFFAOYSA-N 376.416 2.686 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1c3c(nn1-c1ccccc1)CCC3)CS2 40023509 VOGZNZCDEWKBPR-OXQOHEQNSA-N 382.489 2.754 0 40 GFAB C[C@H](NC(=O)C1CCCC1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 40144300 QZIWGGOKOGRBCB-LBPRGKRZSA-N 380.872 2.812 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(c3cnccn3)CC2)n1 40104876 FQVMGDYFEJPJOP-UHFFFAOYSA-N 377.452 2.633 0 40 GFAB O=C(C1CCCCC1)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 32436896 ISNURIICNLIYQB-UHFFFAOYSA-N 382.501 2.816 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 4411515 WIUIUHFHFWDFCR-UHFFFAOYSA-N 390.461 2.675 0 40 GFAB COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1 4543857 YSUCNGMRMPFCKW-OIAKUDKHSA-N 394.471 3.000 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4553367 BIKOHLLBMQDSFE-XWKQNIGYSA-N 391.265 2.807 0 40 GFAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cc(Br)ccc1F 4944526 KUXNFXFORICPRP-VIFPVBQESA-N 398.257 2.878 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)c1 4984809 MFJOZFVHOLURBQ-IBGZPJMESA-N 377.444 2.893 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 6915101 UAMRWWWSCFTKKY-UHFFFAOYSA-N 394.518 2.662 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7232453 FEBROLXEZINRKI-WBVHZDCISA-N 396.443 2.787 0 40 GFAB COc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)NCc1ccccc1 8476194 QTNUHZSUEVRXEC-UHFFFAOYSA-N 376.478 2.702 0 40 GFAB COc1ccc(-c2cnn([C@H](C)C(=O)Nc3c(F)cccc3F)c(=O)n2)cc1 33324695 ULGDEUPOEQGDEM-LLVKDONJSA-N 386.358 2.792 0 40 GFAB C[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)c1ccc2c(c1)CCC2 22499491 DALFCHSPFKIYFA-AWEZNQCLSA-N 390.439 2.779 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC=C(c2c[nH]c3ncccc23)CC1 22405788 BPBNMLOZYPENSM-UHFFFAOYSA-N 397.456 2.812 0 40 GFAB COc1ccnc(N2CCN(C(=O)NCC(C)(C)c3ccccc3C)CC2)n1 103866553 XAVWFSPIXKRLFG-UHFFFAOYSA-N 383.496 2.603 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1 24051731 YQAZUHGNHXDDTH-UHFFFAOYSA-N 383.466 2.583 0 40 GFAB CCOC(=O)COc1ccc(/C=C\c2cc(C(F)(F)F)[nH]c(=O)n2)cc1OC 59419077 MXGVUZGVYAUXBI-XQRVVYSFSA-N 398.337 2.910 0 40 GFAB COc1ccc([C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2nccn2C)cc1 12549724 VBANXNWSQNSAOE-YLJYHZDGSA-N 377.444 2.886 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 25047612 XWDXUAUEONVUPW-MRXNPFEDSA-N 387.480 2.609 0 40 GFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1cn2ccsc2n1)CC3 25452740 NMDTUHYHHNPMLN-UHFFFAOYSA-N 394.456 2.791 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1 3298964 JJBOPLFYWOJABW-UHFFFAOYSA-N 395.440 2.722 0 40 GFAB aggregator COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 100421811 OMVZTPFBLLHGGN-ORGXJRBJSA-N 396.418 2.516 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 20107093 KJSHDOMYLQCDGG-SFHVURJKSA-N 378.469 2.995 0 40 GFAB C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C[C@@H](O)c3ccccc3)CC(=O)N21 2105223 PNJBYUKBHJXKKR-VOBQZIQPSA-N 389.455 2.558 0 40 GFAB biogenic COCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)ccc2[nH]1 44920989 NCRCIAKJVXCQMK-CYBMUJFWSA-N 394.431 2.710 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3nnc4ccccn34)C2)c1 45020692 OTRLAQOFSPMADC-INIZCTEOSA-N 377.448 2.837 0 40 GFAB CCCCn1c(SCCN2C(=O)CNC2=O)nc2sc(C)c(C)c2c1=O 28006802 IGKSTCXWJNEHBR-UHFFFAOYSA-N 394.522 2.519 0 40 GFAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 58421795 ZBVLSMRUWFFSFB-BLLLJJGKSA-N 378.432 2.724 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)c[nH]c12 3322741 VDBFRAUKWNGQIT-MGPUTAFESA-N 386.473 2.910 0 40 GFAB C[C@H](CNC(=O)NCc1ccc(-n2ccnc2)nc1)N1CCc2ccccc21 28397358 KMHOVPNAGFAWDY-MRXNPFEDSA-N 376.464 2.518 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1c[nH]c2ccccc12 12774203 YQHDXTXZEYYGPV-UHFFFAOYSA-N 397.500 2.940 0 40 GFAB COc1cc(OC)nc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)n1 11291674 RJJUKBHSEGHJLT-ZDUSSCGKSA-N 399.476 2.879 0 40 GFAB COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCN(C)C 2430855 KELKBGVWLZDJKC-LJQANCHMSA-N 378.428 2.908 0 40 GFAB CCn1cc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c(=O)c2ccc(C)nc21 11471941 UANACYODWIIJCC-OAHLLOKOSA-N 393.443 2.587 0 40 GFAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1 48332711 PLCHPIJSJZVZLL-UHFFFAOYSA-N 389.351 2.847 0 40 GFAB Cc1c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)oc2ccc(Cl)cc12 62581661 SBVMHTQGQHMIGM-MRXNPFEDSA-N 389.883 2.949 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 3521536 DUQAMVYOTALKHW-STQMWFEESA-N 383.448 2.751 0 40 GFAB COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCCCC1 12939940 SUFLHOXZLIPJNY-CYBMUJFWSA-N 378.856 2.685 0 40 GFAB CCO[C@H](C)c1noc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1 76722032 HDOKLJKEPBMABE-CQSZACIVSA-N 379.505 2.763 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(N)s2)sc2c1CCC2 5016455 FGLUDTXZUHHPJB-SSDOTTSWSA-N 398.535 2.967 0 40 GFAB O=C1N[C@H](c2ccc(O)cc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4279745 JIAMXIWSZJUDBV-YWPYICTPSA-N 386.351 2.558 0 40 GFAB CCOc1ccc(NC(=O)C[C@@H]2NC(Nc3ccc(OCC)cc3)=NC2=O)cc1 13736521 OOUANLXULHXCEA-SFHVURJKSA-N 396.447 2.779 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 6115239 NTVQGPGISTZQEI-UHFFFAOYSA-N 383.477 2.942 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2C(=O)Nc2ccc(C)c(C)c2)cc1 4497834 WITFFIFLNAEJMI-UHFFFAOYSA-N 385.449 2.783 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCSCc1ccsc1 14183060 NCSAHPLLTFVQKH-HUUCEWRRSA-N 380.535 2.663 0 40 GFAB CSCC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1nnc2ccccn12 5452099 KDJYMHHKGSFMMC-INIZCTEOSA-N 383.477 2.912 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)Cn1c(=O)oc2ccccc21 6589287 FLYPTZCQIUQOTM-UHFFFAOYSA-N 375.812 2.785 0 40 GFAB O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[C@@H](O)COc1ccccc1F 8985118 GJSKJGMUEBQLHI-ZHRRBRCNSA-N 398.434 2.739 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1 4749353 MRJKGESTADYIBK-INIZCTEOSA-N 397.450 2.536 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC1CCCCCC1 5703978 OJWZSOQVHXJYCF-UHFFFAOYSA-N 397.566 2.797 0 40 GFAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 7418441 KSOZWNOIOJTUGG-CYBMUJFWSA-N 384.432 2.818 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3COCCO3)c(C(F)(F)F)c2)n1 67936502 NNBWRBKGFANLQU-INIZCTEOSA-N 383.370 2.540 0 40 GFAB O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1cccnc1S 68124916 FNANDOAPVLVGJK-UHFFFAOYSA-N 390.940 2.966 0 40 GFAB CCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nnc1N1CCOCC1 7788876 CGEAJGVSJJSYEP-CYBMUJFWSA-N 385.493 2.979 0 40 GFAB O=C(c1noc2c1CCCC2)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005067 MKEICWUEMVRQIA-HNNXBMFYSA-N 389.477 2.600 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 7955199 JECNHNPIYCTQNB-UHFFFAOYSA-N 392.908 2.847 0 40 GFAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 8279542 LHKJNKUUFACKPE-UHFFFAOYSA-N 395.440 2.915 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(C(N)=O)CC1 8317960 ILAGRBSIFYKCJT-VIFPVBQESA-N 377.794 2.883 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 409205508 OELLHGLKZKOAMC-UHFFFAOYSA-N 390.505 2.658 0 40 GFAB Cc1cc(F)ccc1NC(=O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 408736601 DNBQDDTVFWHFPN-KRWDZBQOSA-N 386.379 2.984 0 40 GFAB O=C(c1ccc(F)cc1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556170 ZIQLPQFIYWUMNM-UHFFFAOYSA-N 394.406 2.503 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1 20768448 ITDIOKBYCFGWOD-UHFFFAOYSA-N 386.395 2.886 0 40 GFAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449991 JBPPYXNTYAGTER-CSKARUKUSA-N 378.450 2.640 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1 22227301 FYTDUFGJPJQODB-UHFFFAOYSA-N 376.453 2.583 0 40 GFAB COc1cncc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 500502364 WHLKBUDHOPXNAS-UHFFFAOYSA-N 381.417 2.601 0 40 GFAB COc1ccc(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1OC 79191098 ZIOVESNLTUXFPU-UHFFFAOYSA-N 380.400 2.622 0 40 GFAB biogenic COc1ccc2c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c1 6500499 WGKJDQCIWZRJNI-MRXNPFEDSA-N 375.421 2.658 0 40 GFAB biogenic N[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218649970 YDTFOIOJMDROAO-IJEWVQPXSA-N 386.256 2.715 0 40 GFAB CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)CC1 72346250 XKWNPYHKUWTZMA-KRWDZBQOSA-N 397.498 2.913 0 40 GFAB O=C(O)c1ccc(N2CCCCC2)c(S(=O)(=O)NCCc2ccccc2)c1 217483777 PLDAXVSSEZRNAN-UHFFFAOYSA-N 388.489 2.896 0 40 GFAB Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 70635779 UEIDOJFKQRFXRI-LBPRGKRZSA-N 381.397 2.967 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2cc(C(=O)O)nc(-c3cccs3)c12 73666993 OYJNQKOVLQQMKY-JTQLQIEISA-N 377.447 2.526 0 40 GFAB CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 45960829 ILLPDRTWKMOEGL-UHFFFAOYSA-N 394.474 2.901 0 40 GFAB COc1ccn2c(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cnc2c1 569962433 WZFQFRPYQYDTSP-RBUKOAKNSA-N 390.487 2.937 0 40 GFAB COc1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)c(OC)c1OC 225238537 ARCXGRFWYWDQMW-SLZMIMFISA-N 385.416 2.682 0 40 GFAB COc1ccc2cnn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1OC 40287661 BUKPPKCFOYJADR-UHFFFAOYSA-N 391.786 2.845 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)s1 224543317 ZQFBVHKJXPYKRA-SNVBAGLBSA-N 382.511 2.834 0 40 GFAB CC[C@@H](C)[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1Cc2ccccc2C1=O 225406463 JYZQJXGEBJCEBG-PBEJRMEISA-N 380.488 2.777 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 225476524 ZLDLXDBYCPHAID-SZVBFZGTSA-N 376.522 2.701 0 40 GFAB CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225693193 QWLUIZPHXZYPSC-UHFFFAOYSA-N 392.502 2.960 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 223414378 KGLLMGZEVPNBIR-IBGZPJMESA-N 388.439 2.767 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1cccs1)CC2)[C@@H]1CCCO1 77192009 XDFCLKOPPZOXFW-GJBLVYBDSA-N 389.502 2.920 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2ccc(Cl)cc2)C1 222608743 HOPDTOFYPQARES-CYBMUJFWSA-N 390.958 2.610 0 40 GFAB CC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2nnc3ccccn23)CC1 96117096 YUWZOWQEQMFABL-UHFFFAOYSA-N 387.484 2.568 0 40 GFAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1nc2ccccc2[nH]1 95473228 DDBHWZTVFJONAO-AWEZNQCLSA-N 395.854 2.693 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 252537472 LHEZXGLUVZVBOP-QAQDUYKDSA-N 392.459 2.688 0 40 GFAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)C[C@@H](OC(C)=O)[C@@]21O 253489171 DEXUKJJEUCWGLM-OMTGHCCBSA-N 386.444 2.683 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c1C(F)F 657171768 XPSHYLSUICEEDX-ZDUSSCGKSA-N 389.399 2.567 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)c(C)c1 96025398 IUOXEBKRWPOGSS-QGZVFWFLSA-N 379.503 2.540 0 40 GFAB O=C1CCCN1c1cncc(CNS(=O)(=O)c2cccc3ccccc23)c1 575618764 IYPIXULFLFJSPY-UHFFFAOYSA-N 381.457 2.840 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)c2ccccc2)cc1 135912420 HDJVVYZNPLXMGE-LWYYNNOASA-N 385.423 2.592 0 40 GFAB O=C(c1cc[nH]c1)N1Cc2ncn(CC3CC3)c2[C@H](COCc2cccnc2)C1 585110779 GBQNPOXJUGUOQJ-IBGZPJMESA-N 391.475 2.973 0 40 GFAB CCN(CC)C(=O)COC(=O)c1cccc(-n2cc(Br)cn2)c1 58003660 YXPHCGXJXOLSFO-UHFFFAOYSA-N 380.242 2.660 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c(Br)c1 69200554 WOJKNPWFHNBZKK-CYBMUJFWSA-N 390.299 2.674 0 40 GFAB CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccsc2)C[C@]12Cc1ccccc1C(=O)N2 72334509 CALCORFMADAYFP-PGRDOPGGSA-N 397.544 2.820 0 40 GFAB CCOc1ccccc1OCCCC(=O)N1CCN(c2ncc(F)cn2)CC1 95940129 CHCAVTVKGIXZKS-UHFFFAOYSA-N 388.443 2.522 0 40 GFAB CCCN1C[C@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nn(C)cc2Cl)C1 12364788 NPDSPNDDZFIRNM-WBVHZDCISA-N 376.888 2.690 0 40 GFAB COC(=O)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 13547073 MKAZPIRBSVLULF-GDNBJRDFSA-N 397.843 2.806 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715378 LGRMKBMGJRRPOO-KRWDZBQOSA-N 394.468 2.695 0 40 GFAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(F)cc1)S(C)(=O)=O 13715414 OZNMGVFEVJAZCJ-HNNXBMFYSA-N 394.424 2.738 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 14399669 AHDMELMNXFYBAY-GFCCVEGCSA-N 387.388 2.674 0 40 GFAB COc1cccc(CN2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 19021829 VCNLBHMBZRSNEZ-SFHVURJKSA-N 393.491 2.566 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)c1 19289519 COJVYWHKHKLZHQ-UHFFFAOYSA-N 394.475 2.934 0 40 GFAB CC(C)Cc1cc(C(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)n(C)n1 19447461 CDCALKYWGVPWTL-UHFFFAOYSA-N 397.479 2.701 0 40 GFAB Cc1nc2ccccn2c1CN1CCC[C@@H](c2cc(C(=O)NC3CC3)on2)C1 19554952 CAYRAHFVVXNJLR-OAHLLOKOSA-N 379.464 2.903 0 40 GFAB CN1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)nc(O)c2C1 19590240 QIPDZSRJIIWDFN-KRWDZBQOSA-N 380.492 2.509 0 40 GFAB CN1CCc2nnc([C@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)n2CC1 19710774 XPYHPVFIURQDGM-QGZVFWFLSA-N 398.511 2.779 0 40 GFAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cccn(CC(=O)N(C)C)c2=O)c1 19750087 FUEDRHQOZSXHBU-LJQANCHMSA-N 381.476 2.531 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929614 KRWZHZRKSVQQHX-MRXNPFEDSA-N 390.505 2.892 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)c3ccccc3F)nc2C1 19018996 GDUQPJKHPGXRFN-SFHVURJKSA-N 398.438 2.593 0 40 GFAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888856725 GZOLLMJHOGHITN-TXEJJXNPSA-N 393.369 2.569 0 40 GFAB Cc1cc(C(=O)N2CCC[C@H](N(C)c3ncccc3C(F)(F)F)C2)nn1C 1889130433 ZXHPEUVWQUNSIC-ZDUSSCGKSA-N 381.402 2.883 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(c4ccc(C(C)(C)C)nn4)CC3)nn2)n1 1889148816 WRIDLOMBXBZZQP-UHFFFAOYSA-N 392.511 2.693 0 40 GFAB COc1cc(N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)ncn1 1889187006 ZZHYLNRYDUWALF-UHFFFAOYSA-N 383.427 2.559 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)NCCc2ccc(-c3cccs3)s2)CC1 1889201572 VBRNBDXHHKVFBB-UHFFFAOYSA-N 398.575 2.807 0 40 GFAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4csc(C)n4)C3)C2=O)n1 1614937116 GTTPKMCUMOLIDY-FQEVSTJZSA-N 384.505 2.810 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(-c2cccs2)ccc1=O 11694488 WDPCBVITLGZXFB-ZDUSSCGKSA-N 387.436 2.695 0 40 GFAB COc1cc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)cc(OC)c1 13702168 QNPIJPRRYCUCEV-UHFFFAOYSA-N 390.465 2.819 0 40 GFAB Cc1ncsc1CN[C@@H]1CCc2onc(CNC(=O)C3CC(F)(F)C3)c2C1 2055729716 BRSOENDRPYCMFN-GFCCVEGCSA-N 396.463 2.748 0 40 GFAB COc1ccc(NC(=O)CN2CCc3[nH]c4ccc(OC)cc4c(=O)c3C2)cc1 48987803 AJSGMQCTSALLNW-UHFFFAOYSA-N 393.443 2.542 0 40 GFAB COc1cccc(Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3cccnc32)c1 606440489 BPJMAXZOILXZQH-UHFFFAOYSA-N 387.439 2.972 0 40 GFAB Cn1cc(-c2nc(C(=O)N[C@H](c3ccccc3)c3nccn3C)cs2)cn1 40144074 CKTBOVUSEHEJDX-MRXNPFEDSA-N 378.461 2.797 0 40 GFAB CC(C)CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 40146888 VQQGIXXEPLIBIH-UHFFFAOYSA-N 389.521 2.745 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)Cc1nc3ccccc3[nH]1)C2=O 30658517 WVXLKPBBONYBQE-UHFFFAOYSA-N 390.443 2.906 0 40 GFAB O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4F)CC3)CN12 20219127 OLEWTSSNUFPUTJ-HNNXBMFYSA-N 379.439 2.624 0 40 GFAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3N3CCCN23)cc1 100568196 SCRCIPFKSPGKPH-OTWHNJEPSA-N 397.862 2.884 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32095105 YISJFTCVANFHAN-LLVKDONJSA-N 399.248 2.739 0 40 GFAB COc1ccc(N2C(=O)C[C@@H]([C@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 101653403 ZTDRUGXKFWVOHZ-HKUYNNGSSA-N 377.400 2.614 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCC(=O)NC(=O)NC(C)(C)C)C1 29650480 GBRBOCPPRVRZOL-GASCZTMLSA-N 388.512 2.841 0 40 GFAB CN(C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795680 SPYJIQIOKNRNCY-NRFANRHFSA-N 391.515 2.906 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(CN2CCCC2)c1 1019443 SLRNTUZAHJZDTR-SFHVURJKSA-N 389.521 2.647 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1 41156630 ZVJGPMIYYJYIEP-QGZVFWFLSA-N 394.537 2.745 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 32841826 QWSDOUXDPJFZAO-KXBFYZLASA-N 384.455 2.556 0 40 GFAB CCCN(CCC)C(=O)CSc1nnc(-c2ccncc2)n1CCOC 6654605 ITVONWYWSHTXNF-UHFFFAOYSA-N 377.514 2.727 0 40 GFAB COc1ccc(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1 32924926 AHXICKVTKDGQII-UHFFFAOYSA-N 380.488 2.978 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 10112368 JCMNVCNHDNACQS-UHFFFAOYSA-N 377.418 2.744 0 40 GFAB Cc1ccccc1C(=O)N1CCC(C(=O)NCc2cn3ccccc3n2)CC1 22024413 KXOIODIJRNCLBE-UHFFFAOYSA-N 376.460 2.811 0 40 GFAB CCc1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 8735790 PBVWRSKQBFKCEV-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)oc3cc4c(cc13)CCC4)CS2 22299585 XOTPCPFXANNOQX-KKSFZXQISA-N 399.468 2.779 0 40 GFAB CN(C)C(=O)Oc1cccc(-c2cn3cc(OC(=O)N(C)C)ccc3[n+]2C)c1 633442 JXNUGCJMWRIGKT-UHFFFAOYSA-N 383.428 2.552 0 40 GFAB CCOc1ccc(Br)cc1[C@H]1NC(=O)N(C)C(C)=C1C(=O)OC 684069 GHCXWIBKDBGUOP-CQSZACIVSA-N 383.242 2.991 0 40 GFAB O=C(CCC(=O)c1ccc(Cl)s1)NCCS(=O)(=O)c1ccccc1 53558553 PDEQMPNGZXNDSZ-UHFFFAOYSA-N 385.894 2.955 0 40 GFAB COc1ccccc1CNC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12328815 QSRUUAAKUCUPQJ-SFHVURJKSA-N 381.476 2.662 0 40 GFAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(C)CC2)cc1 22795583 VOMFIDYNTPYWIQ-QFIPXVFZSA-N 392.503 2.620 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1C 23107846 MDEZOBWBUULBEG-KRWDZBQOSA-N 380.535 2.717 0 40 GFAB CCN1CCN(C(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 100116060 UNHQNJAZFOTXBR-DTJFYBITSA-N 396.535 2.529 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 105927239 MCFWPNHAIIKYRG-YESZJQIVSA-N 375.513 2.849 0 40 GFAB CC(C)[C@H](NC(=O)c1cccnc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769430 RERIHHOPTGLSQS-FQEVSTJZSA-N 395.463 2.851 0 40 GFAB CN(C)C(=O)c1cccc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)c1 25057500 IMHNLGMFYHBJEV-UHFFFAOYSA-N 393.487 2.922 0 40 GFAB CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NC1CCCC1 25108516 YHVOMWFINDXOQQ-OAHLLOKOSA-N 390.509 2.985 0 40 GFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1Br 1438296 RXBNIYSQIDYHOQ-CQSZACIVSA-N 399.241 2.657 0 40 GFAB C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)C(=O)N1CCCc2ccccc21 56308275 HFJZKZPTRDFIEG-MRXNPFEDSA-N 381.476 2.933 0 40 GFAB CCOC(=O)/C=C/c1ccc(NCc2cc(=O)n3nc(CC)sc3n2)cc1 25901659 KUJSGXUUNWAXKK-JXMROGBWSA-N 384.461 2.902 0 40 GFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 101670077 BTKKATXWCSPENV-BHIYHBOVSA-N 376.522 2.533 0 40 GFAB O=C(COC(=O)c1ccc(O)cc1)Nc1cccc(I)c1 3295967 KLSKBRZMLQWVHZ-UHFFFAOYSA-N 397.168 2.792 0 40 GFAB Cc1ccc([C@H](CNC(=O)C[C@@H](C)n2nc(C)cc2C)N2CCN(C)CC2)cc1 22888240 RDAZQZRCLWKNEX-IRLDBZIGSA-N 397.567 2.864 0 40 GFAB O=C(c1cncnc1)N1CCC[C@@H](Cn2cc(-c3cc(F)cc(F)c3)nn2)C1 48175382 MGOGVCOYIKONNN-CYBMUJFWSA-N 384.390 2.566 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 36397007 RLEJPETWTLKCFF-HZPDHXFCSA-N 379.932 2.944 0 40 GFAB CCC(C)(C)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 12794963 XRZNWZRNBLVJEL-UHFFFAOYSA-N 381.542 2.968 0 40 GFAB COc1ccc2oc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c(C)c2c1 8490964 GSTZZQQTHWNERV-UHFFFAOYSA-N 397.383 2.952 0 40 GFAB Cc1nn(Cn2ccc(C(=O)Nc3ccc4c(c3)OCCO4)n2)c(C)c1Cl 28234631 LTZSYJIYIDYIPU-UHFFFAOYSA-N 387.827 2.879 0 40 GFAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2 8547042 QHOVPPFIFXDIDB-SECBINFHSA-N 391.763 2.981 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2Cc1ccc(Cl)cc1 6444848 SWEMNJJBKQGLDN-UHFFFAOYSA-N 387.871 2.870 0 40 GFAB CC(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 14163804 OYCIUWXWAQOTDM-UHFFFAOYSA-N 392.434 2.983 0 40 GFAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)c(OC)c1 4555367 BHSYPKRJSUVVHU-LJQANCHMSA-N 375.808 2.794 0 40 GFAB O=C(OCC1CCCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5435774 IVWVNBJRVNEBKX-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB COc1cccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)c1 5428885 YEZGQMFWUREQRN-QHCPKHFHSA-N 394.471 2.946 0 40 GFAB Cc1ccc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 5435761 FSDBDINKEHWRPW-UHFFFAOYSA-N 398.484 2.899 0 40 GFAB CCN(CC)CCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC 4691031 KEEPPHLZPUMOJX-MRXNPFEDSA-N 393.528 2.907 0 40 GFAB COc1cccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 6931958 KTRQAFVIZITWFL-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 7092652 VDFKNLOERGIGSA-JTQLQIEISA-N 377.828 2.895 0 40 GFAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 7123390 GCDNXEUQDCYTIE-UGSOOPFHSA-N 391.427 2.662 0 40 GFAB O=C(NCCN1CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 26114323 ACRXWNSGPFBBKK-UHFFFAOYSA-N 393.534 2.765 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21 7946660 ZRNUGIFCPWHANQ-UHFFFAOYSA-N 395.503 2.960 0 40 GFAB CCN(CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 7907188 OUNXTMHKZIKQPD-UHFFFAOYSA-N 383.448 2.665 0 40 GFAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 9386127 YDFYHKDCTRJBGY-VOTSOKGWSA-N 378.904 2.595 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc(Br)cc1 19897896 DKTBFNQYWDIOEM-HNNXBMFYSA-N 379.254 2.845 0 40 GFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 20491203 QFQFMYMUIUKQKZ-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB C[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 22230845 STNOEVYJZFTOGR-ZDUSSCGKSA-N 396.896 2.992 0 40 GFAB CNC(=O)c1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 95451751 OHKOAUSNPUQTCC-PMACEKPBSA-N 387.911 2.861 0 40 GFAB CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc(CS(C)(=O)=O)c1 79054160 BYUOYOJAIIWBKE-UHFFFAOYSA-N 395.550 2.888 0 40 GFAB CCN(C(=O)CN1CCC[C@H](c2n[nH]c(C)n2)C1)c1nc2ccccc2s1 95966307 KVYUQLUJWHDKGB-AWEZNQCLSA-N 384.509 2.955 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cnn(Cc3ccccc3)c2)c1 9905452 KIOYPBPLSVUJAM-UHFFFAOYSA-N 389.459 2.883 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(C)cc1 408612146 XRBLWGQXZNIWBM-CYBMUJFWSA-N 396.896 2.640 0 40 GFAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)Cn1nc(C(F)(F)F)cc1C 28235686 LRTNWSCAPITCMH-UHFFFAOYSA-N 397.323 2.941 0 40 GFAB CN1CCC2(CCCN(Cc3cccc(F)c3)[C@@H]2CNC(=O)N(C)C)CC1 306145144 ZZIUAFUJSSIKKK-LJQANCHMSA-N 376.520 2.773 0 40 GFAB O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306144178 YYCRLPCVRVYQQC-DOTOQJQBSA-N 398.532 2.597 0 40 GFAB COc1cc2cc(C)c3nnc(SCC(=O)N4CCCC4)n3c2cc1OC 35312944 XWPGCPAAQQWTAP-UHFFFAOYSA-N 386.477 2.923 0 40 GFAB COCCn1c(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)cc2ccccc21 524730521 LQYVRFGECAXVHZ-KPFFTGBYSA-N 395.503 2.761 0 40 GFAB biogenic CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2ccc3cc[nH]c3c2)C1=O 72325829 CXGCLEVBCVPIJV-FQEVSTJZSA-N 390.443 2.908 0 40 GFAB biogenic COCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2n2nnnc12 35291584 BJLHNJUEHQMTPX-UHFFFAOYSA-N 393.422 2.900 0 40 GFAB CCN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C 79393320 DBYWCRSHESOZFO-MOPGFXCFSA-N 375.513 2.867 0 40 GFAB O=C(Nc1cccc2cc(Br)cnc12)N[C@H]1CCCS(=O)(=O)C1 558459056 NJAKTKVHBHZUPP-LBPRGKRZSA-N 398.282 2.696 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218432180 SAMHDTTZRKOMFC-XYJFISCASA-N 379.865 2.540 0 40 GFAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 40484605 DFFOQLVIYPQQSI-SFHVURJKSA-N 376.420 2.999 0 40 GFAB CCc1cc(CNC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)on1 530864592 FTAGNGLEKWGHLB-UHFFFAOYSA-N 384.480 2.783 0 40 GFAB O=C(CSc1ccccn1)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386442 GEESDZICLVAEJU-INIZCTEOSA-N 381.457 2.742 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1OC 40625571 DDOVGABLECQJKC-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)COc2ccccc2)ccc1Cl 225501417 VOCZAJDZFZSVKC-LBPRGKRZSA-N 383.853 2.872 0 40 GFAB COCCCNC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225902691 VDTONMLVDZKBCZ-UHFFFAOYSA-N 377.901 2.973 0 40 GFAB CSCC[C@H](NC(=O)Cn1ccc2c(Br)cccc21)C(=O)O 40310018 AYBCTIZFXYEMCW-LBPRGKRZSA-N 385.283 2.726 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)NC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 96269302 NBVUGESBPCHGNQ-KRWDZBQOSA-N 383.473 2.736 0 40 GFAB biogenic,in-vitro Cn1c(=O)cc(C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)c2ccccc21 95478436 AVTSRYAWVWNGFA-UHFFFAOYSA-N 377.379 2.639 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1 96227678 OLSTXJXGPIEFSS-MJGOQNOKSA-N 390.530 2.774 0 40 GFAB O=C(c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1)N1CCOCC1 96147733 NEDSLPNRRWHZGD-UHFFFAOYSA-N 389.459 2.890 0 40 GFAB Cc1ccc(C(=O)N2Cc3cncn3[C@H](COCC3CCOCC3)C2)s1 247814515 BTCYWEJITNZMEP-KRWDZBQOSA-N 375.494 2.893 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)O)cc1 242548049 LAVGVDDIQPWLTO-NUJGCVRESA-N 379.865 2.624 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@]1(CO)COc2ccccc2C1 529823823 VBFLKWVYMWVOHS-HXUWFJFHSA-N 384.457 2.736 0 40 GFAB O=C(c1ccc2c(c1)OCCCO2)N1CC2(C[C@H](OCC3CC3)CS2)C1 247823948 INIFFIIQKITVAB-INIZCTEOSA-N 375.490 2.975 0 40 GFAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(Oc2ccncc2Cl)CC1 253472430 MEPWHYZYCXQEMC-UHFFFAOYSA-N 383.839 2.999 0 40 GFAB COC[C@H](C)NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257224707 FCZBHZCEUODTME-INIZCTEOSA-N 383.496 2.551 0 40 GFAB Cc1cc(C(=O)NCc2cccc(N3CCOCC3)n2)c(C)n1C1CCOCC1 613637796 LXLUUKJJINIFKV-UHFFFAOYSA-N 398.507 2.618 0 40 GFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2cnc(C3CC3)o2)CC1 628121585 MYIIEUCTPUVDKQ-UHFFFAOYSA-N 399.875 2.851 0 40 GFAB CCn1ncc(NC(=O)Cn2nc(C)c(-c3ccc(-n4cccn4)cc3)c2C)n1 48121759 USZPQDGPQNBVBB-UHFFFAOYSA-N 390.451 2.603 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)NCc1cncc(-c2cnn(C)c2)c1 390830990 OVYAQKCESJZPBZ-UHFFFAOYSA-N 378.461 2.968 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1I 5631375 ZTLGWJCIESWHEB-LLVKDONJSA-N 395.196 2.861 0 40 GFAB COc1ccc([C@H](C)NC(=O)Cn2nc(C)n3c(cc4sccc43)c2=O)cc1 12115241 VJISXCNTDKOCHV-LBPRGKRZSA-N 396.472 2.905 0 40 GFAB C[C@H](O)CNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O 12186513 SKEDBJSPZRKUAM-AWEZNQCLSA-N 392.434 2.990 0 40 GFAB CCOc1cc(CN2CCC(O)(c3cccc(C)c3)CC2)ccc1OCC(N)=O 12293031 RVRJJOWFOMTTTF-UHFFFAOYSA-N 398.503 2.741 0 40 GFAB CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(F)ccc1OC 13581140 NBDXSUMLZLWIFZ-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2cccc(Cl)c2)cc1 15221136 IGPIIURPNVGZKA-UHFFFAOYSA-N 383.853 2.549 0 40 GFAB Cc1cc(Br)cc(C)c1N1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 16741201 RSAOXPKCAIFZMO-MNOVXSKESA-N 375.313 2.720 0 40 GFAB Cc1nc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)cc(=O)[nH]1 19240920 CTHYWGNCPUYKGA-DSKINZAPSA-N 398.482 2.700 0 40 GFAB COc1cccc2c(C)nc(NC3=NCN(CCc4cccs4)CN3)nc12 19332638 FSYHDMOHYYFDPG-UHFFFAOYSA-N 382.493 2.839 0 40 GFAB COc1ccc(F)c(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 19551433 GERHLSAGDLBMHT-OAHLLOKOSA-N 380.423 2.969 0 40 GFAB Cc1c(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cnn1C 19553289 CBUNRCJBECDHBQ-CYBMUJFWSA-N 383.477 2.560 0 40 GFAB Cc1nn(C(F)F)cc1S(=O)(=O)NCCc1nc2cc(Cl)ccc2[nH]1 19583386 VFIRAKLMCOHFBR-UHFFFAOYSA-N 389.815 2.637 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 12157955 IDSXNVVPYROING-YOEHRIQHSA-N 387.461 2.601 0 40 GFAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)NC(C)C)C2)on1 12121277 HXYUGLVRZVWYGJ-INIZCTEOSA-N 396.495 2.705 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(O)n4nc(C(C)(C)C)cc4n3)C2)o1 12162062 IPJHKTGJZJQGTB-CYBMUJFWSA-N 383.452 2.967 0 40 GFAB CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1 12228445 MLJVOEGSIISTBG-AWEZNQCLSA-N 395.463 2.925 0 40 GFAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(C(=O)c3cnccn3)CC[C@H]21 19086078 HELXKSJEVSXLSS-QWFCFKBJSA-N 396.466 2.728 0 40 GFAB COc1ccc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285516 TVMPQCZWQPEUIO-VQTJNVASSA-N 376.460 2.865 0 40 GFAB O=C(CCC(=O)N1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)c1cccs1 19374753 OIGJTTDKKMECGQ-NRFANRHFSA-N 398.484 2.895 0 40 GFAB CCOCCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257235874 GZXNPQGMGQSEAH-DWPZYODISA-N 385.508 2.907 0 40 GFAB COc1cccc(CCC(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 370691088 SYVLJBCMDIQFIU-CYBMUJFWSA-N 382.386 2.660 0 40 GFAB Cc1cc(C(=O)N2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)n(C)n1 1888899279 HMNHERSHIHPGEL-INIZCTEOSA-N 377.448 2.727 0 40 GFAB Cc1nc(CN2CCC[C@]3(CCCN(C(=O)CCn4cccn4)C3)C2)cs1 2056225044 YFBDCGLSUCXFKM-FQEVSTJZSA-N 387.553 2.943 0 40 GFAB COc1ccc([C@@H]2O[C@H](C)CN(C(=O)c3ccc4c(c3)OCO4)O2)cc1OC 3618954 PWBBMFJXABAUDW-MPBGBICISA-N 387.388 2.924 0 40 GFAB Cc1ccc(C)c(CSc2nc(C3CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 7347282 MCOZWINZIXQHHF-UHFFFAOYSA-N 382.489 2.814 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2cccc(F)c2)CN1c1ccc(Cl)cc1 9036763 NMJNZLKZNUBORY-GFCCVEGCSA-N 382.844 2.811 0 40 GFAB O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc(Br)o1 11900418 RHHJCKFXKVYQFV-UHFFFAOYSA-N 396.260 2.733 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1Cl 23106843 XWZINOWCZCEDHF-HNNXBMFYSA-N 393.896 2.530 0 40 GFAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 585264485 UDZMQKZFDCUGHS-AWEZNQCLSA-N 388.327 2.806 0 40 GFAB Cc1nc2c(c(N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)n1)CCC2 2298061978 CRRQCTBSRUKTPV-UHFFFAOYSA-N 391.475 2.711 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19499407 SJERYABBIIQIHU-UXHICEINSA-N 396.491 2.652 0 40 GFAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)/C=C/c2ccc(C)cc2C)nn1 40152716 CJMWHRMSARWFGI-VMSVZYTISA-N 382.464 2.995 0 40 GFAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccccc3C(=O)O)nn1C)C2 32124140 LRVHGGPEJAUPJM-UHFFFAOYSA-N 393.399 2.959 0 40 GFAB biogenic COc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 101595308 VJEWSMHMBYVXPH-UHFFFAOYSA-N 375.450 2.803 0 40 GFAB COCCCn1c(SCC(=O)N2CCCC[C@H]2C)nc2ccccc2c1=O 4160936 DQQPUXBHRDLQEC-OAHLLOKOSA-N 389.521 2.926 0 40 GFAB C[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc2c(c1)OCO2 4967022 QFCODGRBTIKMPV-NSHDSACASA-N 386.429 2.830 0 40 GFAB COc1ccc(CNC(=O)COc2ccc(I)cc2)cc1 7034796 PPJWKMSDWZVGIT-UHFFFAOYSA-N 397.212 2.995 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)Cn1nnc(-c2ccccc2)n1 2787985 RWLBPAUYSSRVGB-UHFFFAOYSA-N 387.447 2.840 0 40 GFAB COc1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)cn1 100749980 DPZWESJCCVHLPH-LLGFUMIMSA-N 396.491 2.899 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)c1csc(-c2ccsc2)n1 8544619 VPPLLKNTHMJEAH-UHFFFAOYSA-N 393.471 2.828 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3ccccc3Cl)[C@H]2C1 107798502 LTIICTDNKUPHIX-HKUYNNGSSA-N 376.909 2.986 0 40 GFAB COC(=O)C1(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)CCCCC1 47444652 AWBBRUMPEXDWPS-UHFFFAOYSA-N 381.432 2.940 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)CSc3ccc4c(c3)OCCO4)C2)n1 54660569 IDKIXSWLDFAIMY-CYBMUJFWSA-N 375.450 2.648 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H]1CCN(CC(F)(F)F)C1 106527322 VERXALFPWOYLTN-CVEARBPZSA-N 384.446 2.696 0 40 GFAB O=C(NC1CC1)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 56005494 WYLFYKYSUFSLMJ-UHFFFAOYSA-N 378.856 2.632 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)N[C@@H](C)c2nnc3ccccn23)CC1 26277491 ISNCAWDETSYVGV-INIZCTEOSA-N 394.479 2.721 0 40 GFAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)/N=c2\sccn2C)c1 100893541 WDJSCUWRJIPONN-ZCXUNETKSA-N 381.523 2.638 0 40 GFAB Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)NC(=O)c2cccs2)CC1 27389350 HWQLYSWHAVTMAX-QGZVFWFLSA-N 385.533 2.909 0 40 GFAB CC1CCN(c2nnc(S[C@@H](C(N)=O)C(C)C)n2Cc2ccco2)CC1 58209853 XIISTAQBQXUIHO-OAHLLOKOSA-N 377.514 2.758 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 2124489 PWQJGKWSQWDISB-XJKSGUPXSA-N 375.421 2.573 0 40 GFAB biogenic COc1cccc(CNCCNC[C@H](C)O)c1OCc1ccc(Cl)cc1 22075180 ZKFPJENTPUSONF-HNNXBMFYSA-N 378.900 2.988 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1 29165375 XMOPIEQXHGRFKD-FMIVXFBMSA-N 399.472 2.837 0 40 GFAB O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12850684 AMBPIJVFTZXDHC-OAHLLOKOSA-N 394.456 2.814 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc3c(c2)OCO3)n1 3436956 VVNKVCIJRCERLU-UHFFFAOYSA-N 379.376 2.592 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1OCC 3414457 FFTIGFRAYGRMIH-UHFFFAOYSA-N 382.460 2.799 0 40 GFAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 3886295 IEFVFKOHASQYES-INIZCTEOSA-N 378.837 2.796 0 40 GFAB COc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O 4036246 CDJURTHRWRKAMM-GOSISDBHSA-N 387.461 2.764 0 40 GFAB COCCNc1nnc(SCC(=O)NC(=O)Nc2ccc(C)c(C)c2)s1 8878740 JFKAUIISTQSMJD-UHFFFAOYSA-N 395.510 2.654 0 40 GFAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H](C)NC(=O)c1ccccc1)CC2 5451971 ILXRGXDVXWACQJ-GJZGRUSLSA-N 382.460 2.968 0 40 GFAB biogenic COc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 8991234 SFTWHKKDTJAOFJ-KRWDZBQOSA-N 381.432 2.577 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C)n1 15940683 QTOXBLFFQGQUIA-CQSZACIVSA-N 397.497 2.568 0 40 GFAB CCn1c(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1C1CC1 9157132 RGHJCOPIQAVMAD-LLVKDONJSA-N 394.522 2.910 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)NC(=O)C(Cl)(Cl)Cl)CC2 9419086 UEEINGLAALCHRY-UHFFFAOYSA-N 381.643 2.668 0 40 GFAB O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 7981235 LTXITIIKASZVIW-HNNXBMFYSA-N 384.379 2.896 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccccc1Cl 9254965 SSFGCARGAGNTTM-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB CC(=O)c1cccc(NC(=O)C[C@@H]2SC(NNc3ccccc3)=NC2=O)c1 8324944 HUZUGKCKRASSOG-INIZCTEOSA-N 382.445 2.833 0 40 GFAB C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)C[C@@H]1CCCC[C@@H]1O 95994293 OZERHNRGFYBTHG-CBQOVEMMSA-N 387.568 2.639 0 40 GFAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408620893 KDMTXUXYLKJCPD-ZDUSSCGKSA-N 388.917 2.666 0 40 GFAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)C1 515441971 NLSBHBCEZNMGMA-SJORKVTESA-N 395.467 2.910 0 40 GFAB O=C(NCc1ccco1)c1ccsc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 35897914 KJDXXVXBZRNICE-BVIHXZOGSA-N 386.429 2.733 0 40 GFAB CCOc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409097682 GYEJMIPGYLSXPU-SFQUDFHCSA-N 379.416 2.925 0 40 GFAB O=C(COc1coc(CN2CCC(Cc3ccccc3)CC2)cc1=O)NC1CC1 36365774 UUELFGVDSLEUFB-UHFFFAOYSA-N 396.487 2.752 0 40 GFAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F 32639776 QRTCRLWIJBVZPH-ZYHUDNBSSA-N 393.303 2.683 0 40 GFAB O=C(CN1CCOCC1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349704 ARKCNLDHTFJENU-UHFFFAOYSA-N 397.494 2.850 0 40 GFAB CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1cccc(S(N)(=O)=O)c1 557051741 MAWJPVPXERKSJJ-QGZVFWFLSA-N 376.478 2.597 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 47362910 OZZHYVSIWMZTOF-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB CN1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 47216220 TWFUKQRBQCXRRD-UHFFFAOYSA-N 391.515 2.980 0 40 GFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 48339955 QQRMRAOYCBSXRC-ABSDTBQOSA-N 383.536 2.792 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 45866030 QGTSKSHCLLCXMD-UHFFFAOYSA-N 390.280 2.653 0 40 GFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 223638748 VTPCLAVNOLDYKT-UHFFFAOYSA-N 394.474 2.954 0 40 GFAB CC[C@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc2c(c1)CCCC2 223139509 DMHMSONNBNPRCU-HNNXBMFYSA-N 394.522 2.805 0 40 GFAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc2ccccc2c1 224303294 NWOIBOGIGWVZPT-UHFFFAOYSA-N 398.488 2.884 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 44838903 KBFVGSCFMPXIBL-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCOCC2)cc1 224564465 KGVQZYISQHMKBB-UHFFFAOYSA-N 394.924 2.792 0 40 GFAB COC(=O)c1cn(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc12 222614922 JVGOSTAJXIEXBE-UHFFFAOYSA-N 398.440 2.792 0 40 GFAB O=C(N[C@H]1Cc2ccccc2NC1=O)c1ccccc1COC1CCOCC1 529946551 DXBZSWYZLITRES-FQEVSTJZSA-N 380.444 2.675 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)cc1F 223601031 OAQJUFWLGCHEBQ-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc5nsnc5c43)cc2c1 96223336 FZZABBFDRXAYJZ-LLVKDONJSA-N 379.397 2.982 0 40 GFAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@H]2N 238855618 SGHUIAHMXYQPIE-VPLLLXJESA-N 389.496 2.886 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc(C)cc(-c4nccn4C)n3)C2)n1 257325478 WTBHETOFXUAYBK-MRXNPFEDSA-N 376.464 2.909 0 40 GFAB Cn1nccc1N1CCC[C@@H](NCc2c(Cl)cccc2N2CCOCC2)C1 585085939 ZNGHTFRZFVZVAR-MRXNPFEDSA-N 389.931 2.669 0 40 GFAB Cc1cc(CN2CCN(Cc3ccnc(C)c3)[C@H](c3cnn(C)c3)C2)ccn1 621277414 JEQIJKARAKZKSV-QFIPXVFZSA-N 376.508 2.886 0 40 GFAB Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1nc([C@@H]3CCCO3)n[nH]1)CCC2 654638255 YCJAJBFNIPJXNU-OLZOCXBDSA-N 376.486 2.640 0 40 GFAB CC(=O)NC1CCN(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)CC1 633409165 QNVCKIWAZFNGLE-NRFANRHFSA-N 386.540 2.741 0 40 GFAB C[C@@H](CNC(=O)c1cc(C(F)(F)F)cnc1O)N1CCc2ccccc2C1 635245119 GNMWMNAHLZDXPO-LBPRGKRZSA-N 379.382 2.983 0 40 GFAB Cc1cnnn1-c1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 649023876 CHRGVBFTOXWDBH-UHFFFAOYSA-N 390.491 2.575 0 40 GFAB Cc1cc2c(cc1C)[C@H](C(=O)NCc1nnc3n1CC[C@@H](C(F)(F)F)C3)CO2 1651900623 AKDZNYOMXNSCJO-TZMCWYRMSA-N 394.397 2.812 0 40 GFAB COc1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 5439567 XQQYCVHMHHSFAR-UHFFFAOYSA-N 388.489 2.864 0 40 GFAB COc1ccc(C(=O)NCC2CCN(c3nc(C)cc(C)n3)CC2)cc1OC 12115070 BHMDGGAVFBUIHA-UHFFFAOYSA-N 384.480 2.757 0 40 GFAB COCCNC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 12409578 GKDYMLLJIGUNPC-UHFFFAOYSA-N 380.488 2.820 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2F)c1 12522054 FUPOTPVFPLFZOY-UHFFFAOYSA-N 391.468 2.929 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 14867667 ZYZBSJOYMHNBMB-UHFFFAOYSA-N 377.846 2.992 0 40 GFAB O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1c(F)cccc1Cl)CC2 19292592 KTLAMBKMWSEFCV-UHFFFAOYSA-N 385.830 2.620 0 40 GFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)C2CCCC2)n1 19709919 ZIGQQRPBDRYEKN-GOSISDBHSA-N 387.528 2.765 0 40 GFAB CC(C)NC(=O)c1cc([C@H]2CN(c3ncccn3)CCO2)nc2ccccc12 19759564 VYTGMJWDSIQDDG-LJQANCHMSA-N 377.448 2.741 0 40 GFAB COc1ccc(OC)c(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 19946740 YXTNADLNLLCDEW-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB O=S1(=O)N[C@@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)Nc2ccccc21 13267394 FWZANFSFPOEFIR-NRFANRHFSA-N 399.516 2.564 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888888029 DSYWTVGWFYAZDS-ZDUSSCGKSA-N 377.441 2.583 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 2037840451 MYBKQFVELHSZSK-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985507 MCPBOVOMEFOVGX-XLIONFOSSA-N 382.435 2.649 0 40 GFAB CC(C)NC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21 4359082 DDNVYXNDNXUASX-UHFFFAOYSA-N 395.390 2.562 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4F)cnc32)c(C)c1 4479263 PQXRGKMSGAZHRY-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB CCCCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791559 AFBVFHLDMWKLQI-UHFFFAOYSA-N 379.460 2.853 0 40 GFAB COCCn1c(SCC(=O)NC(C)(C)C)nc2c([nH]c3ccccc32)c1=O 5106623 RIHIKIDHSKIXTE-UHFFFAOYSA-N 388.493 2.531 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 9038567 SRXQADLPOQRDLX-QGZVFWFLSA-N 390.480 2.770 0 40 GFAB CS(=O)(=O)NCc1noc2c1C[C@@H](NCc1cccc3ccccc13)CC2 2055729985 MMQSNTIRVBTJOH-INIZCTEOSA-N 385.489 2.524 0 40 GFAB COc1ccc2nc(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)sc2c1 2086889525 NZFBNIMRKDWFEW-LBPRGKRZSA-N 381.523 2.698 0 40 GFAB O=C(OC[C@@H]1CCCCO1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830851 NWLSFENWUULSBT-KRWDZBQOSA-N 381.494 2.772 0 40 GFAB Cc1nn(C)c(C)c1C(=O)OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 40057419 JFSPVGQVFAAYOP-UHFFFAOYSA-N 393.447 2.896 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 40119888 MGMMWEMFELIEBO-JTQLQIEISA-N 399.822 2.904 0 40 GFAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(OC)n1 101518399 MVLPGZZHCPFMFV-SFHVURJKSA-N 384.524 2.732 0 40 GFAB O=C(NCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 21236316 XGYNKCMWIHLABN-UHFFFAOYSA-N 390.487 2.660 0 40 GFAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N1c2ccccc2C[C@@H]1C 32736232 MCTJMCGVOQZUAD-GJZGRUSLSA-N 376.416 2.790 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1COc2ccccc2O1 2664424 OGQLJGBKAMZJHE-INIZCTEOSA-N 376.359 2.592 0 40 GFAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCCc4ccccc43)cc2)C1=O 19797427 NXRSQUYHKZUDBQ-UHFFFAOYSA-N 398.484 2.982 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc(Cl)cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4194805 WLUSHOBOGRNGTN-YTBGYOSVSA-N 384.812 2.642 0 40 GFAB O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)NC1CCCC1 4973415 RDFGDDMEGODUQK-UHFFFAOYSA-N 386.452 2.655 0 40 GFAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)NCC1CCCCC1 6532854 MEWNENJCVLQABR-GFCCVEGCSA-N 377.489 2.975 0 40 GFAB CC(=O)N1CCN(C(=O)[C@@H](C)Sc2ncc(C(F)(F)F)cc2Cl)CC1 42081921 WAOXKZRQSLGKOM-SECBINFHSA-N 395.834 2.925 0 40 GFAB COCC(=O)N1[C@H]2CC[C@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 100724638 QWAUSUZPSZMMPB-GUYCJALGSA-N 378.432 2.640 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 113946776 VHVLUSUMVLNQPN-IBGZPJMESA-N 387.505 2.737 0 40 GFAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N(CCCN1CCOCC1)Cc1ccncc1 105663321 WBYAZGPHRFRLPW-UFYCRDLUSA-N 388.581 2.669 0 40 GFAB Cc1cccc(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)c1C 71327416 DLONSSDWJCSKKG-UHFFFAOYSA-N 395.438 2.911 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1ccccc1 12542300 AUSLVXGGDMBGEW-WOJBJXKFSA-N 378.476 2.640 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2c(C)noc2C)CC1 35267991 UAXFHCTWKUQNMA-UHFFFAOYSA-N 398.507 2.569 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OC 20024901 GWGOMZPTGFUTOC-QGZVFWFLSA-N 388.489 2.801 0 40 GFAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CCCC2)cc1 22231241 FHOALFWFDABXKZ-UHFFFAOYSA-N 388.489 2.654 0 40 GFAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCC2(CC1)OCCO2 51364402 RVSCBEVQSFRTEU-QGZVFWFLSA-N 380.444 2.572 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC(N3CCCCC3)CC2)c1 26439340 NBTRRYGPHFDJBM-MRXNPFEDSA-N 375.513 2.981 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)cc(F)c1 20768465 UAQXIDKUZFYJHK-UHFFFAOYSA-N 380.416 2.679 0 40 GFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCC(=O)Nc1ccc(F)c(F)c1 9253147 XKKHQRDGECMIPQ-HNNXBMFYSA-N 391.399 2.523 0 40 GFAB CC(C)Nc1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 3383414 OUXRPWICCCBTHV-SNVBAGLBSA-N 380.495 2.884 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O 45963327 MJSHNDIJYOGLLI-GOSISDBHSA-N 393.487 2.871 0 40 GFAB Cc1cc(N2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)nc(C(C)C)n1 12783990 AYCMYLKIADTHSQ-GOSISDBHSA-N 381.524 2.735 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)C[C@@H](C)O1 48354089 OZJNRTCDUXHQQX-OKILXGFUSA-N 381.436 2.608 0 40 GFAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)NC1CCCCC1 3528884 QDHMGNLWMNJTJI-UHFFFAOYSA-N 397.475 2.729 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 12910805 UGTYZXFXJCFODN-UHFFFAOYSA-N 393.443 2.668 0 40 GFAB Cc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)cc1C 12986512 HLROLXUNYXKUKS-UHFFFAOYSA-N 377.326 2.844 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccccc1 12901603 LDRSQDAJZLDQBV-UHFFFAOYSA-N 391.471 2.861 0 40 GFAB biogenic Cc1ccc(CN(CCc2ccccc2)CC(=O)N(C)CC(=O)NC2CC2)s1 12917873 KPBBFOKFUYOVBL-UHFFFAOYSA-N 399.560 2.838 0 40 GFAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12910594 GXPGSNQKEBSTNF-LBPRGKRZSA-N 385.851 2.989 0 40 GFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCC[C@@H]3CCCC[C@@H]32)C1=O 13117005 WOYYFQKPYWYZKQ-GIMINZRKSA-N 399.491 2.837 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1 23777976 NSOMXWKUAOEHKD-IBGZPJMESA-N 378.407 2.963 0 40 GFAB CCCCSc1nnc(NC(=O)CCC(=O)N2C[C@H](C)O[C@@H](C)C2)s1 27985497 SEROHLPLXXQBPF-RYUDHWBXSA-N 386.543 2.785 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CCCC3 5183377 JZKZNPNSRFDAQZ-LLVKDONJSA-N 384.461 2.940 0 40 GFAB O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)N1CCOCC1 13844450 PKZACMUHIDVMGD-QFIPXVFZSA-N 389.455 2.962 0 40 GFAB COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CCCCC1 25172446 JFKZMCMHKBFQKV-CQSZACIVSA-N 390.505 2.754 0 40 GFAB Cc1nnc(SCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1 14240815 GCRURTIALVTQLJ-UHFFFAOYSA-N 382.942 2.936 0 40 GFAB COCCN1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O 4689488 ZCZRAISRLNXPPO-WUXMJOGZSA-N 388.239 2.846 0 40 GFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3CC(C)C)cc1 6660306 UPUPJQJJDWHJLF-INIZCTEOSA-N 397.475 2.832 0 40 GFAB Cn1c(N)c(-c2nc(CC(C)(C)C)c(C(=O)C(C)(C)C)s2)c(=O)n(C)c1=O 6857448 WRZTZWXGKOOSAK-UHFFFAOYSA-N 392.525 2.607 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)NCCCc3ccccc3)n2N)cc1 5860851 ADWCWGOLOBBQHH-UHFFFAOYSA-N 397.504 2.509 0 40 GFAB CSc1nc2cc(C)n(CC(=O)NCc3ccco3)c2c(=O)n1CC(C)C 67319858 GZYMIROQMYHIAV-UHFFFAOYSA-N 388.493 2.794 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)c(Br)c1 7203237 JYGAIPXZCDXWSU-MRVPVSSYSA-N 382.287 2.831 0 40 GFAB CC(C)Oc1ccc(-c2noc(C(=O)N[C@@H](CO)Cc3ccccc3)n2)cc1 80358555 YWBVSQDLAQNTIO-QGZVFWFLSA-N 381.432 2.857 0 40 GFAB CC(=O)Nc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)s1 8984181 VIBIWVALMOJCQY-UHFFFAOYSA-N 395.487 2.972 0 40 GFAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1F 68741088 PMMQDGWWTGZKJS-UHFFFAOYSA-N 388.214 2.795 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 8188467 WUKFSLFZCITXGH-MRXNPFEDSA-N 392.452 2.935 0 40 GFAB COc1ncccc1C(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 96001893 YIFZLCIMBLHTAP-HNNXBMFYSA-N 382.424 2.631 0 40 GFAB O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860823 ODETYCIDHMXSLC-HNNXBMFYSA-N 396.896 2.791 0 40 GFAB CN1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 306128437 HAHRJJCEBVKIPS-OAQYLSRUSA-N 391.500 2.829 0 40 GFAB COc1cccc(COC[C@@H](O)CN2CCO[C@H](c3ccc(F)cc3)C2)c1 71850372 MZPUOAFWEYJTAM-FPOVZHCZSA-N 375.440 2.785 0 40 GFAB Cc1cc2occ(CC(=O)Nc3ccc(CC(=O)NCC(=O)O)cc3)c2cc1C 95425119 KXULUTRNTXQZNL-UHFFFAOYSA-N 394.427 2.974 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC(=O)N4)C2)n[nH]1 95966375 KAYXSZGHNCYAJN-INIZCTEOSA-N 397.479 2.563 0 40 GFAB COc1ccc(Cl)cc1CC(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 89374768 MAXFQJZGFDYLIU-DFNIBXOVSA-N 391.943 2.661 0 40 GFAB Cn1c(=O)c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nc2n(C)c1=O 9915587 WQWTVHZSEQHWEA-UHFFFAOYSA-N 383.411 2.843 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1F 35743608 LFCWOWRUPDWXPK-UHFFFAOYSA-N 387.230 2.505 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccnc4)C[C@H]32)cs1 306133207 MFCHAOOKZHYQOC-RTBURBONSA-N 379.489 2.730 0 40 GFAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 32109712 XAVVCGGMYMMXGN-RKPNYOAGSA-N 396.399 2.640 0 40 GFAB COc1ccc(CN2Cc3nc(N)ncc3[C@@H](NC(=O)c3ccsc3)C2)cc1 306137877 RJAPUCHELSHCIV-KRWDZBQOSA-N 395.488 2.616 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 306126742 FDULWWGQZVCOBF-GJZGRUSLSA-N 381.411 2.567 0 40 GFAB COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1C1=CC(=O)O[C@@H]1CC(=O)O 31161071 LZDLOICWXKFSMI-CQSZACIVSA-N 386.356 2.566 0 40 GFAB biogenic,in-vitro COc1ccccc1Oc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 36293798 QCHPUVCGQMQMLS-HNNXBMFYSA-N 377.418 2.725 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219445479 XGBMWKJXVXUERW-HNNXBMFYSA-N 386.473 2.797 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1 72321736 SYKDGTAGSPMVHK-DEPWHIHDSA-N 378.428 2.658 0 40 GFAB biogenic,in-vitro O=c1[nH]c(O)c(C2=Nc3ccccc3N[C@H](c3ccc(O)cc3)C2)c(=O)s1 35622401 SNPODXVTQJWPBW-AWEZNQCLSA-N 381.413 2.886 0 40 GFAB CCOc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219429194 BYSSRIRVSYKNNJ-UHFFFAOYSA-N 388.445 2.649 0 40 GFAB Cc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(F)cc1 40391991 LAGRXTILQKSYOX-UHFFFAOYSA-N 389.394 2.520 0 40 GFAB CCSc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)s1 223084153 JJFLDWARBINJKK-UHFFFAOYSA-N 393.899 2.891 0 40 GFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc2ccccc12 222879047 NKWKBUCEVBTCAA-UHFFFAOYSA-N 394.452 2.691 0 40 GFAB Cn1nc(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n(-c2ccccc2)c1=O 77146515 FBNMGBYSVSFVAH-UHFFFAOYSA-N 398.413 2.869 0 40 GFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(C)c2C)CC1 223531763 HSOVFEKTSWHMNN-UHFFFAOYSA-N 390.505 2.832 0 40 GFAB CCOc1ccc(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220157891 YTGCDKYLEKUENS-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1 223414938 MSAYXJMDSIDDCZ-LBPRGKRZSA-N 396.419 2.832 0 40 GFAB CCOc1ccc(NC(=O)[C@@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cc1 225958587 CMDIHIVNSHSFTA-SFHVURJKSA-N 380.441 2.628 0 40 GFAB CCN1C(=O)Cc2cc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)ccc21 225615324 IBISMFMHTSXMFL-UHFFFAOYSA-N 386.473 2.570 0 40 GFAB CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 225932096 GGJAHVRHUHJGCJ-UHFFFAOYSA-N 390.505 2.986 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 192897095 PQOOKCDNQPYQPK-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB COc1ccc(-c2nn([C@H](C)C(=O)N3CCC[C@H](C)C3)c(=O)cc2OC)cc1 96101065 RJEIPNDYMARLMG-LSDHHAIUSA-N 385.464 2.747 0 40 GFAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccncc1 96296021 ZENKZFSDFRRVRC-IRFCIJBXSA-N 393.443 2.618 0 40 GFAB biogenic,in-vitro Cc1cccc2c1nc1n2[C@@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 96112650 XAHRUUJMWMCURI-INIZCTEOSA-N 385.489 2.609 0 40 GFAB biogenic,in-vitro COc1cccc(S(=O)(=O)N2CC[C@]3(CC(=O)N(c4ccccc4)C3)C2)c1 96238401 DMRJKMQZBKCIQL-FQEVSTJZSA-N 386.473 2.513 0 40 GFAB c1cc2c(cc1CN1CC3(C[C@@H](OCC4CCOCC4)CCO3)C1)OCO2 248338838 RZSAOZHTMUYTBY-SFHVURJKSA-N 375.465 2.592 0 40 GFAB CS(=O)(=O)N1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 257344775 ZYQDMKOEWFAHRO-UHFFFAOYSA-N 393.509 2.880 0 40 GFAB Cc1ccc(C(=O)N2CCC(Cc3nccnc3-c3cnc(C)n3C)CC2)cn1 257219574 DHHIJLMPZVSUCH-UHFFFAOYSA-N 390.491 2.984 0 40 GFAB CCO[C@@H](CS(=O)(=O)N1CCN(c2nccc3sccc23)CC1)C1CC1 625221309 BNEMCDZQIAFJHP-INIZCTEOSA-N 395.550 2.563 0 40 GFAB CC1(C(=O)O)CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 646154288 GTUKXGRDIKJRGQ-GFCCVEGCSA-N 383.851 2.954 0 40 GFAB Cc1sc(NC(=O)[C@H]2CC[C@H](C(=O)O)NC2)nc1-c1c(F)cc(F)cc1F 657210243 CMRLLPINDFPCNJ-QPUJVOFHSA-N 399.394 2.927 0 40 GFAB Cc1cc(-c2csc(NC(=O)CN3CCCC[C@@H](O)C3=O)n2)c(F)cc1F 644381960 OQGUOUBJMBCKND-OAHLLOKOSA-N 395.431 2.709 0 40 GFAB Cc1cnc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/c2ccnn2C)s1 585292058 JKOIUVFGKHBPOQ-LLYBFZRZSA-N 395.492 3.096 0 40 GFAB Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 585101847 IYPDKBVVGRKCPX-LJQANCHMSA-N 387.509 2.901 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5557436 CFMVDPNWKKQRBP-HNNXBMFYSA-N 380.400 2.652 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 5866726 ILLDBAHVQWZZRL-UHFFFAOYSA-N 377.470 2.981 0 40 GFAB COc1ccc(OC)c(CC(=O)NCC2CCN(c3nc(C)cc(C)n3)CC2)c1 12145497 SNMIMDLPRBGVPF-UHFFFAOYSA-N 398.507 2.686 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N[C@H]3CCCc4ccccc43)n2)o1 12182934 AHEAOHZAJWWLCC-KRWDZBQOSA-N 378.432 2.588 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc21 13610277 FUIXOIYWTFVNBH-UHFFFAOYSA-N 387.461 2.610 0 40 GFAB O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccnc1 19337883 KPPXWWISLXWQQF-UHFFFAOYSA-N 393.896 2.566 0 40 GFAB O=C(COC[C@@H]1COc2ccccc2O1)N1CCCC[C@@H]1CCN1CCCC1 19375740 YQMTWXNASXQSRS-RTBURBONSA-N 388.508 2.710 0 40 GFAB COCC(=O)N[C@H](Cc1ccccc1)c1cc(N(C)C)nc(-c2cccnc2)n1 19584342 QTOHNTCWXUKUQM-GOSISDBHSA-N 391.475 2.651 0 40 GFAB Cc1c([C@@H](C)NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)cnn1C 19748330 QPSOXOJACRVSMC-MRXNPFEDSA-N 382.508 2.777 0 40 GFAB Nc1nc(C2CCN(C(=O)c3ccncc3)CC2)ccc1C(=O)NC1CCCC1 19753974 PQSUVTSPNFWBHS-UHFFFAOYSA-N 393.491 2.751 0 40 GFAB COc1cc(/C=C\[C@@H](NC(C)=O)c2cccc(=O)c(O)c2)cc(OC)c1OC 5395891 SAZUUYOLIGRZAJ-HLRDLLSLSA-N 385.416 2.669 0 40 GFAB OC[C@@]1([C@@H](NCc2ncc(Cl)cc2Br)C2CC2)CCCO1 529580551 MMFGELVXFDKIKD-LSDHHAIUSA-N 375.694 2.907 0 40 GFAB CCOc1cc(CCC(=O)N2CCCC[C@@H]2c2cc3nc(C)cc(O)n3n2)on1 12161139 HFYFRTNMRSNTAB-MRXNPFEDSA-N 399.451 2.816 0 40 GFAB COc1ccccc1[C@@]1(CCNS(=O)(=O)N2CCCC2)CCOC(C)(C)C1 12362149 IUUNHKRCHKTDSV-FQEVSTJZSA-N 396.553 2.842 0 40 GFAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)on1 13227741 NKOABNDVNWVJFF-CQSZACIVSA-N 386.481 2.803 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)Cc4c(C)noc4C)C[C@H]3C2)nc2ccccc21 1888897652 NQKLTXAKAAMVIM-CALCHBBNSA-N 393.491 2.798 0 40 GFAB CCOc1ncccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 27585264 LSXULOPMWKRVLH-UHFFFAOYSA-N 398.444 2.928 0 40 GFAB Cc1cc(N2CCC(CN(C)c3ncnc(C)c3F)CC2)n2nc(C)cc2n1 2087040357 KUZVLDOUUSQIQL-UHFFFAOYSA-N 383.475 2.936 0 40 GFAB CCOc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5201727 FTTMTFCCAWLTNP-OAHLLOKOSA-N 397.431 2.784 0 40 GFAB Cc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)c1 22577259 FBDLAYPOMGBNCF-LJQANCHMSA-N 396.491 2.834 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220754956 XLKZFAYRKPLPBX-OLZOCXBDSA-N 378.473 2.641 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)n1 575614053 VTCOSBIGLYMQRV-MRXNPFEDSA-N 384.436 2.575 0 40 GFAB O=C(OC1CCOCC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 585399413 POQOZLNHMVXSMR-INIZCTEOSA-N 387.885 2.817 0 40 GFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccnc1SC 206795815 WVZYUPWKESTACY-DOMZBBRYSA-N 390.436 2.778 0 40 GFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220759088 SYLBKTXJLZBHGH-CYBMUJFWSA-N 378.432 2.883 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc(-c2ccsc2)o1 575611851 YMNIPQSYDGRMLU-AWEZNQCLSA-N 384.413 2.766 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@](O)(c1ccccc1)C1CCOCC1 575610917 CFSRPTYXMLNQFQ-WCYCAPIHSA-N 395.455 2.859 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(C)cc2OC)cc1 8132507 JRSYMRAFIQTXRG-UHFFFAOYSA-N 379.434 2.990 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)c1ccc(N2CCNC2=O)cc1 40089427 ARPJTELJYQRXKV-UHFFFAOYSA-N 380.448 2.863 0 40 GFAB CC(C)(C)c1nc(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)no1 40153647 XFORXEGEJAYWJA-UHFFFAOYSA-N 381.480 2.735 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc12 20573450 WXSKHGLCIWMBLA-UHFFFAOYSA-N 392.455 2.825 0 40 GFAB biogenic CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 78607790 SBBILLPEWPCLEX-OAHLLOKOSA-N 393.896 2.655 0 40 GFAB O=C(c1cccc(F)c1)N1CCN(Cc2ccc(Br)cn2)CC1 78994948 VXRAUCICOVFDRZ-UHFFFAOYSA-N 378.245 2.941 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 32930887 ORKFZFIDOVTHAI-HUUCEWRRSA-N 384.446 2.917 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(C(F)(F)F)cc2)cc1 7886993 OUEIFNYSNWNCJV-UHFFFAOYSA-N 389.351 2.589 0 40 GFAB CSc1nc(=O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)n1C 102707385 MGZIZKHUNYFCNQ-AWEZNQCLSA-N 376.869 2.578 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1F 58320607 OGBYXMHPKRZFAN-LLVKDONJSA-N 378.425 2.759 0 40 GFAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccccc1-c1ccccc1 10516413 WRCSNRDAMAACCP-UHFFFAOYSA-N 377.429 2.796 0 40 GFAB CC1CCC(NC(=O)CN2CCN(C(=O)C3(c4ccccc4)CC3)CC2)CC1 102917246 UCKQWTWUDWOKHJ-UHFFFAOYSA-N 383.536 2.557 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2ccccc2F)n([C@H]2CCS(=O)(=O)C2)n1 22534314 RUMGGQSRCBTMJL-LBPRGKRZSA-N 379.457 2.932 0 40 GFAB COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(c4ccccc4Cl)NN32)cc1 940705 VCHPIZHKEUCPIF-QGZVFWFLSA-N 395.850 2.786 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 43263906 GATHOQTZEFUERU-UHFFFAOYSA-N 380.297 2.929 0 40 GFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3272875 KVLJKDXUGZFYOJ-HNNXBMFYSA-N 379.416 2.668 0 40 GFAB CCOCc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)ccc1OC 100763574 CUTVSSYHTUOOGY-OALUTQOASA-N 385.508 2.980 0 40 GFAB Nc1nc(CN2CCN(C(=O)c3ccccc3Cl)CC2)nc2ccccc12 25843257 DXKHVTIWXANTFQ-UHFFFAOYSA-N 381.867 2.823 0 40 GFAB CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)N1C[C@H](C)O[C@H](C)C1 48262618 QSADMAILZQLRPJ-FVJLSDCUSA-N 387.524 2.563 0 40 GFAB CCN1CCC[C@H]1CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 44572005 RTDSJGZIQQBMRG-INIZCTEOSA-N 389.521 2.970 0 40 GFAB CN(Cc1cc(Br)cs1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C 72273224 KZZGXQUWUMEGKY-UHFFFAOYSA-N 380.267 2.963 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](Sc3nnnn3-c3ccccc3)C2=O)cc1C 2221664 BCDYFGONXFHTNV-INIZCTEOSA-N 379.445 2.703 0 40 GFAB Cc1ccc2[nH]c(C(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)cc2c1 12846656 YLGDKAJFZKXDGL-QZTJIDSGSA-N 396.535 2.739 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1Cl 3592654 HAFKMXUFCLDQAB-UHFFFAOYSA-N 379.844 2.788 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2=O)c1 12927831 LTMWCQZJQMQCLN-OAHLLOKOSA-N 393.443 2.579 0 40 GFAB CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2C1=O 3667954 BXXJMYLNOJFJBI-UHFFFAOYSA-N 396.399 2.654 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 13009490 HJEMKXISCSGUJM-UHFFFAOYSA-N 399.472 2.539 0 40 GFAB O=C(O)CSCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13321490 ITKLBSAQXPPSMA-UHFFFAOYSA-N 384.501 2.738 0 40 GFAB CNC(=O)[C@H]1CCCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)C1 49421236 WPVVGVYZVUECRJ-AWEZNQCLSA-N 382.489 2.922 0 40 GFAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 6035717 AJKJPQXXSOLWEK-SNVBAGLBSA-N 381.454 2.769 0 40 GFAB C[C@H](CN(C)C)OC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5047101 XBEBFVHOYXMEKW-CLXYIWAZSA-N 396.443 2.680 0 40 GFAB COCC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1cc(-c3ccccc3)on1)CCO2 306143295 XYBZVRCLZGGZAP-IFMALSPDSA-N 399.491 2.618 0 40 GFAB COc1cccc(CNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 6110269 HNPBUWZXNUJGHV-CYBMUJFWSA-N 397.500 2.908 0 40 GFAB Cc1ccc(C[S@@](=O)c2nc3c(c(N4CCN(C)CC4)n2)CCCC3)cc1 5698799 YBOIYTIERMLBIR-MHZLTWQESA-N 384.549 2.723 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(NC(C)=O)cc1 9486359 RPKTZUJFDIFHQH-INIZCTEOSA-N 384.388 2.903 0 40 GFAB C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N1CCCC1 9055513 SQLABQIHVMUACR-AWEZNQCLSA-N 392.411 2.655 0 40 GFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 6849255 KXVQHUQCQXVXTR-JOCHJYFZSA-N 395.459 2.665 0 40 GFAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccc(F)cc1F 67208204 WPRLJBDFRNIZPY-UHFFFAOYSA-N 385.164 2.596 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)cc2)ccc1C 7059498 RTONGWJBTSJVMB-UHFFFAOYSA-N 390.505 2.964 0 40 GFAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccccc1F)CC3 67349917 JKIVXXOUMHNIDD-UHFFFAOYSA-N 395.434 2.981 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCC2=O)cc1 7491117 CUKFLZBZLMLXDW-UHFFFAOYSA-N 377.444 2.870 0 40 GFAB Cc1cccc(CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)c1 15858215 HYADPTLONRYPQH-UHFFFAOYSA-N 392.864 2.645 0 40 GFAB Cc1nc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1 7735397 SHBMPAWTUZLCGL-UHFFFAOYSA-N 396.472 2.608 0 40 GFAB CCOc1ncccc1CN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 96013561 DEAWWIKOPVZFGN-YLJYHZDGSA-N 399.491 2.996 0 40 GFAB C[C@@H](NC(=O)COC(=O)Cc1noc2ccccc12)c1ccc2c(c1)OCCO2 7865366 SYRAIVCHVUCWLC-CYBMUJFWSA-N 396.399 2.562 0 40 GFAB O=C(O)/C=C/C(=O)Nc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1 7986522 RVNDQYSWXQNVSA-ZHACJKMWSA-N 377.356 2.817 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 8077496 XSMWMACWULSNAR-UHFFFAOYSA-N 395.484 2.732 0 40 GFAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207999 WMZORJGJPNICPQ-UHFFFAOYSA-N 396.896 2.628 0 40 GFAB COc1ccc(CNC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1OC 72402534 IFTXWCYQGVORLH-UHFFFAOYSA-N 390.871 2.680 0 40 GFAB O=C(NCC(=O)N1CCCc2ccccc21)N1CCO[C@@H](c2ccccc2)C1 84525588 BVUVTQSNRHFNAC-HXUWFJFHSA-N 379.460 2.749 0 40 GFAB O=C(NCc1ccccc1Cn1cncn1)C1(c2ccccc2)CCOCC1 25151605 SZWHNTTYBSOTED-UHFFFAOYSA-N 376.460 2.691 0 40 GFAB CN(C)C(=O)C1(CNC(=O)[C@@H]2CCn3c(cnc3-c3ccccc3)C2)CCCC1 95993207 FYMNGYGVCMFUEP-GOSISDBHSA-N 394.519 2.877 0 40 GFAB O=C(O)CCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 95970455 IFMXVIIIGDHMNW-KRWDZBQOSA-N 386.448 2.772 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(F)cc2)cc1C 85945173 UREZEQAUZAHWSP-UFYCRDLUSA-N 379.435 2.978 0 40 GFAB CCOC(=O)[C@]1(C)CCCN1C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 89978159 VCGPHXSQWTUURO-NRFANRHFSA-N 385.464 2.610 0 40 GFAB CCC[C@H](c1ccccn1)N(C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 89949765 BHAHREZIZGBYJJ-QGZVFWFLSA-N 398.463 2.974 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1NC(=O)CC 408697066 GWXZQHLJPNKBSK-UHFFFAOYSA-N 392.477 2.921 0 40 GFAB CCOC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)oc1C 1523431398 BFPGPAHQSNZDKE-LLVKDONJSA-N 391.811 2.805 0 40 GFAB COCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)n2c1nc1ccccc12 39963993 DEQPCQFRGSHQEC-IBGZPJMESA-N 392.459 2.667 0 40 GFAB CC(C)[C@H](C(=O)NCCCN(C)c1ccccc1)N1C(=O)c2ccccc2C1=O 32986248 FUAATGMSRCEJGQ-HXUWFJFHSA-N 393.487 2.950 0 40 GFAB CCCc1nc2c3ccccc3n(CC(=O)c3ccc4c(c3)OCO4)c(=O)n2n1 35510873 MGRIJTDYOSQSDH-UHFFFAOYSA-N 390.399 2.608 0 40 GFAB COc1ccc2cc3c(nc2c1)N(NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)CC3 35986551 GKFMRDXTLJXRTD-YADHBBJMSA-N 395.459 2.759 0 40 GFAB CCSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)s1 225144092 SGXXXYAVTPSKIU-UHFFFAOYSA-N 398.535 2.886 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225942969 KKEXQHFWPKQDMP-DYVFJYSZSA-N 376.453 2.784 0 40 GFAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)NCCc1ccccc1OC 77200030 QNYGAHNYZFXKRY-LJQANCHMSA-N 386.423 2.859 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@]12C[C@@H]1COC2(C)C 528921222 SNISXYSZOQMEFG-AUUYWEPGSA-N 395.525 2.713 0 40 GFAB O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1 47266675 WGGWGJMSXUXQEF-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223771385 DXPABYSAKRRJCJ-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223627520 GUKRGQBYTLJZSO-WOJBJXKFSA-N 394.500 2.933 0 40 GFAB COCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224266745 FGWNIEMENXHGBG-UHFFFAOYSA-N 382.869 2.541 0 40 GFAB CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1nc(N(C)C)cc(C(F)(F)F)n1 583623258 ORKTXFAZRVXTDI-FZMZJTMJSA-N 384.406 3.110 0 40 GFAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 244014884 SMZCGLUKMHRUPT-UHFFFAOYSA-N 388.917 2.618 0 40 GFAB COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)c2cccnc2)cc1 257265330 LYFYCLKXSCWIFK-HLAWJBBLSA-N 393.487 2.975 0 40 GFAB CCc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 260812977 NQNJYFRMBKIAFV-IFXJQAMLSA-N 388.489 2.653 0 40 GFAB COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 592199194 SOCBPGNMVWDSSM-MSOLQXFVSA-N 382.460 2.538 0 40 GFAB CC(C)(NS(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)NCC1CCCC1 1662328886 SNRYRDUPIYIWNS-UHFFFAOYSA-N 376.881 2.842 0 40 GFAB Cn1cc(-c2nccnc2CNS(=O)(=O)c2cccc3ccccc23)cn1 575619894 PFPXMGRFSVXIFY-UHFFFAOYSA-N 379.445 2.509 0 40 GFAB CN1C(=O)[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)nc2)Cc2ccccc21 585100181 DWMPMWYPIDDDTG-CYBMUJFWSA-N 394.353 2.732 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC4CCCC4)C[C@@H]23)c1 585106258 ZSROCFNICQUBSD-RTWAWAEBSA-N 395.547 2.838 0 40 GFAB CC(=O)N1CCCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2cccc(C)c2)CC1 585282506 FHLFEGUFKRZSDM-VXKWHMMOSA-N 385.552 2.802 0 40 GFAB Cc1occc1CN(C)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 56252363 YAAIBQZFOKVOTM-IRXDYDNUSA-N 376.453 2.528 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 568730699 VRSUKNPVFGOCDJ-LLLHUVSDSA-N 384.929 2.668 0 40 GFAB CC(=O)N1CCC(N2CC[C@H]3CC(=O)Nc4ccccc4OCC[C@H]3C2)CC1 1534646267 HHPVOUMJGKPGQD-ROUUACIJSA-N 385.508 2.747 0 40 GFAB CC[C@@H]1CN(C(=O)CCc2ccccc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772595016 PLNKMUKWUNHJCR-GUDVDZBRSA-N 380.479 2.806 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1OC 12225128 MHGCPAZTEOJULR-CQSZACIVSA-N 399.476 2.724 0 40 GFAB CCOC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccccc1OC 13566281 CFUBRAONLUWDQV-AUUYWEPGSA-N 387.480 2.598 0 40 GFAB CCC[C@H](NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc2c(c1)OCCO2 14001616 BICPPMYFGWLXEF-HNNXBMFYSA-N 381.436 2.784 0 40 GFAB C/C=C/c1ccc(OCC(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)c(OC)c1 15617134 COZAJAVAOCFTNL-PDGUBNMISA-N 396.443 2.647 0 40 GFAB CCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19498821 XDHPUJVNJSWYBV-GOSISDBHSA-N 383.496 2.667 0 40 GFAB COc1ccc(OC)c(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 19551444 MESQWJMDPUOWOV-INIZCTEOSA-N 392.459 2.839 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@H]2CC[C@@H]3N2Cc2ccccn2)cc1 19573476 JCCBQIVZLCZLNY-XLIONFOSSA-N 394.500 2.933 0 40 GFAB C[C@@H](CN(C)C(=O)Cn1cc(NC(=O)c2ccccn2)cn1)c1ccccc1 19749434 LUBVBUDJUBCGAF-INIZCTEOSA-N 377.448 2.793 0 40 GFAB Cc1nc([C@H]2CCCCN2C(=O)COc2ccccc2)ncc1C(=O)N(C)C 19754215 GOIJEJYJPXPXCS-GOSISDBHSA-N 382.464 2.619 0 40 GFAB NC(=O)c1cc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc12 19759466 QKYWOKPDERHFCJ-HXUWFJFHSA-N 393.418 2.615 0 40 GFAB COc1ccc(C[C@](C)(O)CNC(=O)c2cncc(Br)c2)cc1 206705742 BRYJGADIDDQIPR-KRWDZBQOSA-N 379.254 2.576 0 40 GFAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)[C@H](C(N)=O)c2ccccc2)cs1 511064874 RIDBORDSFYRMQW-SZMVWBNQSA-N 376.501 2.522 0 40 GFAB CCN1C(=O)C[C@H](c2nc(-c3cc[nH]c4nccc3-4)no2)[C@H]1c1cnn(C)c1C 664896328 LQYAUIJUGJUUKJ-YOEHRIQHSA-N 391.435 2.684 0 40 GFAB Cc1ccc2cccc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)c2n1 19665671 ZRPVPLMBQRNXIG-JOCHJYFZSA-N 388.427 2.949 0 40 GFAB O=C(c1cc2c(nn1)CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1888864406 GAINRUSMLPGWKL-UHFFFAOYSA-N 391.397 2.732 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c(O)c(OC)c1 85412926 YULFLJNZBMDUAQ-DNVCBOLYSA-N 398.367 2.582 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)cc1 3406283 CQOBRLRHSQUACW-UHFFFAOYSA-N 383.477 2.961 0 40 GFAB O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 4224690 FIBKNNBWALETGM-HHHXNRCGSA-N 385.420 2.791 0 40 GFAB CCCn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 8709734 AGKUUPKUCAQXFO-HNNXBMFYSA-N 379.464 2.786 0 40 GFAB COc1ccc(N2C[C@H](CNC(=O)c3ccc(F)c(F)c3)OC2=O)cc1OC 9121266 ZZZMANIXTYATSB-ZDUSSCGKSA-N 392.358 2.737 0 40 GFAB Cn1cc(-c2nccnc2CNC(=O)c2cccc(Oc3ccccn3)c2)cn1 575619641 LFIRLGWMDQCTHF-UHFFFAOYSA-N 386.415 2.994 0 40 GFAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(C)c4)C3=O)CC2)cc1 215726508 FQFCVUAYUAZLNZ-NRFANRHFSA-N 391.471 2.652 0 40 GFAB O=C(Nc1ccccc1)C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 101490879 GLPDTOOSCHNPEQ-LJQANCHMSA-N 395.434 2.808 0 40 GFAB Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O 101716958 BGSWKSPKZLCEOY-LBPRGKRZSA-N 399.813 2.998 0 40 GFAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(O)c1C 52115890 HCWHAQNSNCYPJX-ZDUSSCGKSA-N 382.416 2.930 0 40 GFAB COc1cc2c(cc1/C=C/C(=O)O[C@H](C)C(=O)NCC(F)(F)F)O[C@H](C)C2 32672189 JROLNTHAUBOUDJ-XKFHPXPTSA-N 387.354 2.642 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3)cc2)CC1 723024 AYDNRRZJRYFAMZ-UHFFFAOYSA-N 396.516 2.790 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1cccc(C(C)=O)c1 2654762 YOKHGKLBSYRSAR-UHFFFAOYSA-N 396.415 2.817 0 40 GFAB O=C1CN(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c2ccccc2N1 2632415 JSWAJKWWJSQLID-UHFFFAOYSA-N 380.187 2.531 0 40 GFAB COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(C)=O)c(=O)[nH]c2c1 1366714 IECJHTUNHUXKSW-UHFFFAOYSA-N 380.400 2.814 0 40 GFAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)C1CCN(Cc2csc(C)n2)CC1 79072376 ZRLBBZUGUWXFKJ-ZWKOTPCHSA-N 393.553 2.902 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)CC1(Cn2cnnn2)CCCCC1 79476647 SNJVLFHJJCRRLW-UHFFFAOYSA-N 396.495 2.793 0 40 GFAB O=C(c1ccccc1)N1CCCC[C@H](Sc2nnnn2-c2ccccc2)C1=O 3175465 DZSLJHGJQVCXSK-KRWDZBQOSA-N 393.472 2.976 0 40 GFAB CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC3(CCCCC3)CC2)cc1 102410652 FKXSGRBSVMPORG-UHFFFAOYSA-N 389.525 2.612 0 40 GFAB CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)N(C(C)C)C(C)C)c1 4231459 UKTQBVZUQDVRLH-UHFFFAOYSA-N 390.513 2.748 0 40 GFAB CCc1c(C(=O)OCC(=O)Nc2cccc(OC)c2)cnn1-c1ccccn1 32913739 IFHIMHAQTSRZIA-UHFFFAOYSA-N 380.404 2.634 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-c2nnn[nH]2)cc1 8980818 AWFVLODBEMQWKO-UHFFFAOYSA-N 387.447 2.941 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(F)cc2)s1 24740530 YXGLYEKYCJHJCJ-HNNXBMFYSA-N 382.482 2.665 0 40 GFAB CCOc1ccc2nc(NC(=O)CSc3nnnn3C(C)C)sc2c1 1357619 BMDFGJLOSGTTSG-UHFFFAOYSA-N 378.483 2.993 0 40 GFAB O=C(CCNC(=O)Cc1ccccc1)NCc1ccc(OCC(F)(F)F)cc1 25149711 SDAUHZGAEFOBQD-UHFFFAOYSA-N 394.393 2.993 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1Br 103066462 QUBHBWIXAZZCTJ-XBFCOCLRSA-N 391.265 2.578 0 40 GFAB c1ccc(-c2cn3nc(NC[C@H]([C@H]4CCOC4)N4CCOCC4)sc3n2)cc1 12520092 YTZWQLVSPMVZQE-FUHWJXTLSA-N 399.520 2.607 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(F)cc1 57428773 PPDLWNVRUWJUJA-UHFFFAOYSA-N 395.415 2.992 0 40 GFAB CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2098416 LQECMMNXGMMWGH-SGTLLEGYSA-N 387.432 2.665 0 40 GFAB biogenic O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NCCNC(=O)C1CC1 103540040 NZFQEXZWVSZESM-AGCBMJJTSA-N 383.330 2.753 0 40 GFAB CC1CCN([C@@H](C)CNS(=O)(=O)c2cccc(Br)c2)CC1 58084318 DQLHXOAXKVIFKX-ZDUSSCGKSA-N 375.332 2.848 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2cn(-c3ccccc3Cl)nn2)n1 58246739 DIELVUSJSOWMBX-UHFFFAOYSA-N 377.813 2.806 0 40 GFAB C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(F)cc1 113957328 BAZGPSJDJUUXTJ-CHWSQXEVSA-N 382.432 2.997 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1OC 2356401 CWEQHPXDCHBZFO-UHFFFAOYSA-N 385.449 2.625 0 40 GFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)CC1 2359953 HZTLIONRTLJZAS-UHFFFAOYSA-N 396.896 2.868 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCCOc3ccc(Br)cc3)nc2n1 3314254 WHAYJYQHQQHNHR-UHFFFAOYSA-N 391.225 2.739 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(NC(=O)c2ccco2)cc1 11361778 RTUZKBQZXPXYDH-UHFFFAOYSA-N 394.412 2.942 0 40 GFAB CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 12923365 BAHGJQYUPDRNBR-UHFFFAOYSA-N 386.464 2.624 0 40 GFAB CCc1ccc(OC[C@H](O)Cn2c(=O)c3ccccc3n3nc(C)cc23)cc1 12912260 QVHQIHBSIGUEPK-QGZVFWFLSA-N 377.444 2.960 0 40 GFAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNCc3ccco3)cc12 3655837 NGKRIWIYKJRXRD-OAHLLOKOSA-N 386.448 2.786 0 40 GFAB C[C@@H]1CN(S(=O)(=O)CCNCc2cccc(Cl)c2Cl)C[C@@H](C)O1 48783577 YMZNYHSEYIGZQS-VXGBXAGGSA-N 381.325 2.522 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2O1 13436125 QTWKTJSMODSSHG-HNNXBMFYSA-N 375.764 2.604 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)O[C@H](C)C(=O)N(C)c1ccccc1 17212668 BIJSBAKEYNMIRX-CQSZACIVSA-N 375.446 2.689 0 40 GFAB COc1cccc(NC(=O)CNC(=O)c2cc3c(OC)ccc(OC)c3n2C)c1 13685391 ZPDNTDBLSJXGEZ-UHFFFAOYSA-N 397.431 2.573 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(Cl)c3)[C@@H]4C2=O)no1 13629655 VJQRWGXSYACNSR-PSFFPDNBSA-N 385.807 2.562 0 40 GFAB CCn1nc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2c1=O 4289390 RXTFAMDQSBDGAG-LBPRGKRZSA-N 390.399 2.571 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 8710015 WEIOCAAMYKSNGK-UKRRQHHQSA-N 388.493 2.665 0 40 GFAB O=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)NCCC1=CCCCC1 5326966 LNSTUXXQDGWUQX-UHFFFAOYSA-N 388.859 2.710 0 40 GFAB CCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccccc1 5311708 MVIZNTWAQOWBJB-UHFFFAOYSA-N 387.490 2.856 0 40 GFAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 5559838 BXLQYWSSVYVNEQ-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(Cn2cccn2)cc1 8776003 CPDKXLIBWGWZKF-KRWDZBQOSA-N 392.459 2.863 0 40 GFAB CCCNC(=O)CN(CCC)C(=O)c1nnn(-c2cccc3ncccc23)c1C 66764541 WFWIMLQGNRNVTL-UHFFFAOYSA-N 394.479 2.502 0 40 GFAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)CCn1cnc2ccccc2c1=O 66711911 BVOYNNUZDMBYSC-OXQOHEQNSA-N 377.444 2.775 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1cccs1 6984470 SEXGNRMFYIYLQN-LQYUOIDQSA-N 393.534 2.593 0 40 GFAB CCOc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 5953602 AOWCCGTVGMHYSD-ZWJWXYIHSA-N 394.464 2.998 0 40 GFAB biogenic Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 8878639 MIWQYJJDXJAWDB-UHFFFAOYSA-N 381.480 2.594 0 40 GFAB O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(c1)OCCCO2 7726561 NFICEGGHKUFNSK-UHFFFAOYSA-N 385.344 2.970 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccc(F)cc3)o2)c1 8075322 GAEGXEJYGNAQSY-UHFFFAOYSA-N 376.365 2.636 0 40 GFAB CCCCS(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 96000403 RUXXEGQXPWESIR-HNNXBMFYSA-N 382.530 2.848 0 40 GFAB O=C(CNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96117202 TZFRXIUHQJMGQE-HNNXBMFYSA-N 383.839 2.535 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F)C(C)C 20744432 AZTZYKWVSLFEMM-RDJZCZTQSA-N 392.406 2.543 0 40 GFAB COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)ccc2nsnc12 96224072 VAASZGIDFWDATN-JTQLQIEISA-N 390.417 2.815 0 40 GFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 9647447 UJNKSUJZIPMXRT-JOCHJYFZSA-N 398.426 2.783 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1O 89920492 XOZBABYOXUVRSL-APPZFPTMSA-N 375.650 2.909 0 40 GFAB Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 28207347 IBRLPRXOIRNXAR-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB C[C@H]1CN(Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C[C@H](C)O1 25512012 ZBFLMORNTCRUDU-STQMWFEESA-N 398.488 2.846 0 40 GFAB CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)N2CCCCC2)C1=O 72343096 LPRAXCUGEGUTBJ-UWJYYQICSA-N 398.459 2.878 0 40 GFAB COc1cc(C)ccc1CN1CCCC[C@H]1c1nnc2n1CCN(C(C)=O)CC2 72372789 WJYFOKABOHCQSR-IBGZPJMESA-N 397.523 2.727 0 40 GFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 71285445 NDZPIEBSUCWQQH-IRXDYDNUSA-N 379.416 2.580 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NC[C@](C)(O)CCc3ccccc3)CC2=O)c1 61975819 MIECLOZNKCAHQR-FDDCHVKYSA-N 396.487 2.548 0 40 GFAB O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1cccc2ccccc12 70923081 BTSASEKMSCSALG-UHFFFAOYSA-N 382.489 2.825 0 40 GFAB CCSc1ncc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cn1 72339882 JHXPLHCFBGANNP-UHFFFAOYSA-N 380.477 2.705 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 73257866 CGPNWVMBMDTTMA-RTWAWAEBSA-N 398.503 2.839 0 40 GFAB COCCn1cc(C(=O)Nc2cccc(NC(C)=O)c2)c2ccccc2c1=O 71287917 WRZHNBLCFZKXQT-UHFFFAOYSA-N 379.416 2.859 0 40 GFAB COc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1 49410285 PPOFXMFVYOUAFN-UHFFFAOYSA-N 380.339 2.717 0 40 GFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1 223883395 MIUPUCCDIBOKMW-UHFFFAOYSA-N 394.400 2.952 0 40 GFAB CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224802509 YBUOLWBOCDPKRS-UHFFFAOYSA-N 379.434 2.546 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCc1ccccc1 223644387 BIUNADONCPADAR-LJQANCHMSA-N 390.505 2.599 0 40 GFAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 44904602 BTNAWADJEUZHHX-MRXNPFEDSA-N 390.505 2.945 0 40 GFAB C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 220313345 LIMHLBQPOVBIBD-CQSZACIVSA-N 396.459 2.868 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1 95479182 OAHKLWXGZBRMCH-UHFFFAOYSA-N 382.472 2.602 0 40 GFAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)NCC2(c3ccc(Cl)cc3)CCC2)n1 583183012 LFUYTQMAPLYMSR-JKSUJKDBSA-N 390.871 2.971 0 40 GFAB Cn1ccc(C(=O)N2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 257254814 KETPROJRMSCQCZ-WFXMLNOXSA-N 384.455 2.964 0 40 GFAB O=C(NCCC1CCNCC1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 652313268 OVZNWDKNWKPPLG-NRFANRHFSA-N 394.519 2.925 0 40 GFAB COc1cccc2c1CN(C(=O)[C@@H]1CCCN(C(=O)NC3CCCC3)C1)CC2 653981037 VMAADVHPKFKMSU-QGZVFWFLSA-N 385.508 2.944 0 40 GFAB O=C(O)c1ccccc1C1CCN(C(=O)Nc2cccnc2-n2cncn2)CC1 669497582 SMDGGJBGJFZELY-UHFFFAOYSA-N 392.419 2.772 0 40 GFAB O=C(O)c1ccc2c(c1)CN(C(=O)c1cccc(NC(=O)[C@@H]3CCCO3)c1)C2 621554590 PZWRLFAEIXVYTM-SFHVURJKSA-N 380.400 2.658 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NCC1(Sc2ccccc2)CCOCC1 96119004 RQAIDZHHWMKLCR-UHFFFAOYSA-N 382.507 2.911 0 40 GFAB Cc1c(C(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)oc2ccccc12 575405631 SUPQXEZZMYPWNR-HNNXBMFYSA-N 379.416 2.984 0 40 GFAB COc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 169772360 ZRKJXBMWHJIMEN-UHFFFAOYSA-N 380.370 2.903 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 12977413 KZKKMOPUCKEMKM-LJQANCHMSA-N 393.487 2.715 0 40 GFAB COCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 13817470 XYCSOKZSMSGUQN-UHFFFAOYSA-N 396.443 2.834 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1nc2ccccc2s1 14671907 IPPHZUZIQGNURB-UHFFFAOYSA-N 398.463 2.832 0 40 GFAB O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 16740485 PHQZEAAQADJNPW-UHFFFAOYSA-N 391.493 2.573 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 19020219 FUXCOOWKISYBLM-CVDCTZTESA-N 394.519 2.806 0 40 GFAB Cc1ccccc1-c1cccc(C[C@H]2CN(C(=O)[C@@H]3CCCO3)CCNC2=O)c1 19237455 WXMIDVCARZNZLN-UNMCSNQZSA-N 392.499 2.958 0 40 GFAB Cc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 19237530 XGMQYODOFBMGFA-KRWDZBQOSA-N 385.445 2.807 0 40 GFAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 19576042 XHCALFYQEZPZDG-YSIASYRMSA-N 376.504 2.724 0 40 GFAB O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1ccc2c(c1)OCO2 35313156 JQYOOGMRECSAEV-UHFFFAOYSA-N 398.434 2.766 0 40 GFAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2F)C3)c(OC)c1 100142549 KHMUXXXYPWEYCD-KBPBESRZSA-N 386.423 2.893 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cc3cccc(F)c3)CC1)O2 12225654 XHHTZVMPIWLCBK-UHFFFAOYSA-N 382.435 2.860 0 40 GFAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1nc(C2CCOCC2)no1 575608137 QVXFPKXHAMJHST-UHFFFAOYSA-N 385.342 2.721 0 40 GFAB CCCc1nnsc1C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831539 SKPNWJNFKZPKBB-HNNXBMFYSA-N 397.497 2.632 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 5677870 CHEKOBUEMOQIJR-ZSEKCTLFSA-N 385.464 2.965 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 245173984 YFDGDOAAPAUTIR-SHTZXODSSA-N 388.399 2.534 0 40 GFAB CC(C)(C)OC(=O)N1CC=CCc2ccccc2OCC(=O)O[C@H]2COC[C@@H]21 2037850041 KOCJBXSCIAUQMA-WMZOPIPTSA-N 389.448 2.725 0 40 GFAB O=C(Cn1ccn(-c2cccc3ccccc23)c(=O)c1=O)NCCc1ccccc1 4569970 JCPAKFKCYANEJK-UHFFFAOYSA-N 399.450 2.511 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1 4513753 MYSUTBMFRUNSQE-UHFFFAOYSA-N 387.505 2.773 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2N)cc1 4916272 BTUUBZBVLKWZRG-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1C 5075779 XAVLQKYLJXULIB-UHFFFAOYSA-N 394.518 2.953 0 40 GFAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 8961576 GAIREPUITXJJAS-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB O=C(Cn1c(CO)cnc1SCc1ccc(Br)cc1)NC1CC1 9827515 RIDFGKAJRGWCIH-UHFFFAOYSA-N 396.310 2.709 0 40 GFAB CCSc1ccccc1C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003721 IVFFQIBDLPLDFX-UHFFFAOYSA-N 382.551 2.733 0 40 GFAB COCc1cn([C@H]2CCN(C(=O)c3cc(Br)ccc3Cl)C2)nn1 585149680 LLUQNJVRRKBEPE-LBPRGKRZSA-N 399.676 2.928 0 40 GFAB CN1C(=O)c2cccc3c(S(=O)(=O)N(C)c4ccccc4C(=O)O)ccc1c23 8715481 RDPAIGMPEFYWQG-UHFFFAOYSA-N 396.424 2.953 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 100563737 IFXNLWGISLOJJV-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20568086 TVFWRVWJKWKUGK-UHFFFAOYSA-N 381.885 2.900 0 40 GFAB COc1ccc(OCCNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 46086207 IWELTZLBRWAUCR-UHFFFAOYSA-N 396.399 2.930 0 40 GFAB CCC(=O)NCCc1nc2cc(NC(=O)COc3ccccc3)ccc2n1C 8361834 ZKCBOPYNNWPDKF-UHFFFAOYSA-N 380.448 2.660 0 40 GFAB O=C(Cn1c(CC(=O)N2CCCC2)nc2ccccc21)NCc1ccccc1 903349 KOHWGIFILOVKLJ-UHFFFAOYSA-N 376.460 2.518 0 40 GFAB Cn1cc(Nc2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)cn1 79105832 FHKTVUUTJVKUOB-UHFFFAOYSA-N 386.433 2.736 0 40 GFAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 2625958 NZZPUFHPRSVGBY-QFIPXVFZSA-N 385.508 2.911 0 40 GFAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)C3CCCCC3)n2N)cc1 6172723 QJVZKMVFADRFQQ-ZDUSSCGKSA-N 389.525 2.939 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1cccc2ccccc12 6817890 JZZYSGUVXKWVPI-UHFFFAOYSA-N 388.474 2.728 0 40 GFAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2ccccn2)Oc2ccccc21 100180507 RZRXQZIPABIJGK-HIWACDCLSA-N 377.444 2.653 0 40 GFAB COC(=O)[C@H]1CCCN1C(=O)COc1ccc(Br)cc1Cl 677194 YZIYWESVQGXCNA-LLVKDONJSA-N 376.634 2.645 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1F)OCc1cc(Cl)cc2c1OCOC2 22438854 NGKXZURGYWVQGS-UHFFFAOYSA-N 397.761 2.958 0 40 GFAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 22806884 UQBIUEPLXGXCEO-KRWDZBQOSA-N 399.560 2.548 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1cccs1 23239027 WEBLABKGEZFIBO-JTQLQIEISA-N 392.424 2.750 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)cc1OC 51356599 DXXCRKFSYAGXDR-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB Cc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1 23602521 BKFUFTVTXWGCBN-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB CN(C(=O)[C@@H]1COc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 57177682 MTJKXHFFYXTVPG-KRWDZBQOSA-N 376.453 2.684 0 40 GFAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc(-n2ccnc2)cc1 12541498 MJHBTVOTPFPUMN-ZDUSSCGKSA-N 379.445 2.521 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606806 DKCZJPPGXBFPAO-MRXNPFEDSA-N 378.519 2.807 0 40 GFAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2 100457107 PMSVJCFHGSMZLK-QZTJIDSGSA-N 380.444 2.868 0 40 GFAB CCOC(=O)c1sc2nc(C)nc(NCCCN3CCOCC3)c2c1C 25266618 LGLAXCWFAFQWOM-UHFFFAOYSA-N 378.498 2.619 0 40 GFAB CN1CCN([C@H](CNC(=O)NCc2ccc(F)cc2)c2ccsc2)CC1 22767036 WHGMGYOQRCQKJI-GOSISDBHSA-N 376.501 2.675 0 40 GFAB O=C(CS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1)NC1CCCCC1 58620013 ZTZXYCQZMDOPEY-UHFFFAOYSA-N 380.441 2.844 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)nc1 96001359 USILWCUPLMRSKH-KRWDZBQOSA-N 391.431 2.988 0 40 GFAB O=C(CCNC(=O)NCCc1cccc2cccnc12)NCc1ccccc1 58208539 QCQPXKOTMASCBE-UHFFFAOYSA-N 376.460 2.783 0 40 GFAB NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27774321 LOKXBWFLFRPWPN-SFHVURJKSA-N 393.409 2.929 0 40 GFAB CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCN(C2CCCCC2)CC1 22457880 UUBDNYFPVBOGJK-IBGZPJMESA-N 383.544 2.863 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10368299 DZIIQICTIFYFAU-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB C[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 45113568 PORSXFITDGVRNY-OAHLLOKOSA-N 388.512 2.506 0 40 GFAB O=C(NC[C@@H](O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 36370093 ZIUCKUVGLBUGEA-LJQANCHMSA-N 377.444 2.586 0 40 GFAB biogenic COc1ccc(-c2c(=O)n(OCc3ccco3)c3ccccc3[n+]2[O-])cc1OC 2319417 GZSAOYOAFYEBEX-UHFFFAOYSA-N 394.383 2.541 0 40 GFAB O=C(NCc1ccncc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 11149375 YFISWINMFPUPKN-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 36727951 JIOUUCZMLBSSDB-QGZVFWFLSA-N 399.878 2.608 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)Nc1ccc2c(c1)CCC2 3363435 ZFLMVHIXXOCUCH-QHCPKHFHSA-N 389.455 2.593 0 40 GFAB O=C(c1ccc(SCCN2C(=O)c3ccccc3C2=O)nc1)N1CCCC1 12769068 BCOJCQSFZSLCEE-UHFFFAOYSA-N 381.457 2.706 0 40 GFAB Cc1ccn(-c2cccc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)c2)n1 48313117 FIRXHBQPPHCRCJ-QFIPXVFZSA-N 390.487 2.984 0 40 GFAB Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1F 48367730 MUDSSSAGNIQHDB-OAQYLSRUSA-N 395.478 2.912 0 40 GFAB CCc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12896529 YQQMSYSASOXHLI-HXUWFJFHSA-N 380.444 2.516 0 40 GFAB Cc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)ccc1F 12891423 ZAAGPRIIYKQTHT-UHFFFAOYSA-N 384.860 2.772 0 40 GFAB CN(C)[C@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 12997711 PMDRGJSMAJIUCH-HXUWFJFHSA-N 381.476 2.611 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 12995399 HPAMWCDPFNDYHW-LJQANCHMSA-N 393.487 2.715 0 40 GFAB COc1ncc(NC(=O)CCC(=O)OCC(Cl)=C(Cl)Cl)c(OC)n1 3666039 WWZKAECWSRPCCI-UHFFFAOYSA-N 398.630 2.641 0 40 GFAB COc1cc(NC(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)cc(OC)c1 8621808 NCUCJHCZEUMPKM-LBPRGKRZSA-N 387.465 2.878 0 40 GFAB CS(=O)(=O)CCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 49908378 BIGSDXUCURUUSE-UHFFFAOYSA-N 398.529 2.529 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc(-n3cncn3)cc2)N2CCCC2)cc1 14050910 ZKEIAPSGSOZPLJ-NRFANRHFSA-N 391.475 2.843 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)c2ccccc2Br)c2ccccc2O1 14183052 UBBCTVBURDTNPL-OAHLLOKOSA-N 375.222 2.603 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2C1=O 14229014 DCOAXNKLKJVCFE-OAHLLOKOSA-N 394.427 2.653 0 40 GFAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14200279 YKVHQTDPTOSVMG-NSHDSACASA-N 387.383 2.654 0 40 GFAB O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCc2ccccc2C1)n1ccccc1=O 4680335 XVZFDEWVMIKEPC-OAQYLSRUSA-N 390.414 2.996 0 40 GFAB CN(C)CCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 6623787 LTPCSBXTNGSSIF-UHFFFAOYSA-N 380.444 2.907 0 40 GFAB biogenic O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2ccccc2n1 5633437 FZLCAAPAMTZROK-UHFFFAOYSA-N 397.456 2.508 0 40 GFAB O=S(=O)(c1ccc2c(c1)N(C1CCCCC1)[C@@H]1CCCN21)N1CCOCC1 5636536 JCHRNRUDCPAMPB-HXUWFJFHSA-N 391.537 2.787 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(C)c1C 4815366 XEHQWLVMXIEAPD-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1ccc(OC)cc1 4934926 QEZARKXWIPMGCN-LJQANCHMSA-N 392.415 2.526 0 40 GFAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 7185372 STENPLDDEXJJHP-UHFFFAOYSA-N 378.812 2.735 0 40 GFAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)ccc1Cl 409049346 WHSVKBQXSXXIDM-TWKYDXJASA-N 375.808 2.740 0 40 GFAB NC(=O)c1cc(Cl)ccc1NCC(=O)Nc1cc2c(cc1Cl)OCCO2 67960720 GERDCRAODJHYDE-UHFFFAOYSA-N 396.230 2.914 0 40 GFAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7726684 HKYUOFXYQYVSRD-UHFFFAOYSA-N 388.445 2.776 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7724441 PPLHAKGCZGIQHG-GOSISDBHSA-N 390.487 2.659 0 40 GFAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)N[C@@H]2COc3ccccc32)C1 84247967 XTLFWVMQUWISSB-DOTOQJQBSA-N 380.448 2.884 0 40 GFAB COc1cc(CN[C@H](C(N)=O)C(C)(C)C)ccc1OCc1c(C)noc1C 97162402 QGNYYZJTVXNOTM-GOSISDBHSA-N 375.469 2.869 0 40 GFAB Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1Cc1ccc2c(c1)OCO2 9419270 CVRRSTMBOZCTGK-FQEVSTJZSA-N 391.379 2.899 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 408597213 UEQGODOCHISIMA-CABCVRRESA-N 376.478 2.630 0 40 GFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccccc1I 408759012 WLTLCAWGSNRSSL-AJABAVSMSA-N 391.208 2.849 0 40 GFAB CCn1cc(Br)c(C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 28227462 KYZGNMCTNRZOKH-UHFFFAOYSA-N 383.271 2.567 0 40 GFAB C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 89895264 JVBQWQIDXLGCHL-CZUORRHYSA-N 394.518 2.924 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](C(F)(F)F)C1 24184330 VWHBQROREUTHAN-NWDGAFQWSA-N 378.416 2.932 0 40 GFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cc[nH]n1 524735368 XRXWTUUUQIHKAK-LJQANCHMSA-N 387.399 2.553 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3nc(SC)sc3c2=O)cc1Cl 33020755 PMADXDRNMYJUAN-UHFFFAOYSA-N 396.881 2.876 0 40 GFAB COc1cc2ncn(CCC(=O)Nc3nc(C)c(C)s3)c(=O)c2cc1OC 36365114 RSEFPUJZYUBOOG-UHFFFAOYSA-N 388.449 2.516 0 40 GFAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccco1 217512560 LYZISOYOLURQDB-UHFFFAOYSA-N 396.465 2.683 0 40 GFAB Cc1nc(NCCNC(=O)COc2ccc(Cl)cc2)cc(N2CCCC2)n1 36708057 FIAYMFOUZSYNIH-UHFFFAOYSA-N 389.887 2.646 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1OC 40161399 XRTGUNVBBNIQHG-MRXNPFEDSA-N 394.493 2.802 0 40 GFAB CSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)s1 225816353 ASDROWWQANLWAH-UHFFFAOYSA-N 392.915 2.562 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 225341808 OVVPLIBDDSRNDH-CYBMUJFWSA-N 392.477 2.875 0 40 GFAB COc1ccccc1OCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 225142284 WTPSAMZQALWVGH-UHFFFAOYSA-N 391.489 2.940 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)c1 223864147 SSFPKIZFMLXKDE-UHFFFAOYSA-N 399.472 2.754 0 40 GFAB COc1ccc(CCNC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1 77099767 PFNLJVRZUQXVQL-UHFFFAOYSA-N 385.464 2.682 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220094853 NSXAKCSDKOKGQJ-GFCCVEGCSA-N 398.431 2.617 0 40 GFAB Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)s1 96243641 BULGYXQTOJXBRX-QGZVFWFLSA-N 388.537 2.668 0 40 GFAB Cc1nc2sccc2c(=O)n1CCNC(=O)CSc1ccc(F)cc1 238881757 PKEFVNRMICMSBD-UHFFFAOYSA-N 377.466 2.814 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](Nc2ccccn2)CO3)c1 96221324 GVRBXRHGGNUXCG-QGZVFWFLSA-N 387.505 2.814 0 40 GFAB CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 96118591 IHYMMYSDSFITCF-NRFANRHFSA-N 393.491 2.902 0 40 GFAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2scnc2C)CC1 583615899 LLTTVOAPQKFTSB-UHFFFAOYSA-N 378.498 2.866 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 253600725 XIQNBFWWRVWDLR-RYUMIWLPSA-N 394.475 2.930 0 40 GFAB Cc1cc(Nc2cccc(CC3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)[nH]n1 257200211 ACKLGCIYYHYWNN-SFHVURJKSA-N 382.512 2.780 0 40 GFAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(C2CC2)n1 604382101 DLDNZRQBZHTLKQ-HNBVOPMISA-N 387.911 2.698 0 40 GFAB biogenic,in-vitro O=C(Cc1ccc(Br)cc1)NC1CCN(c2cnsn2)CC1 618255641 GROBMUNKDQYDRB-UHFFFAOYSA-N 381.299 2.628 0 40 GFAB C[C@]1(C(=O)N2CCN(c3ncnc4ccsc34)CC2)COc2ccccc2O1 625786573 KLTDBIOHOCVSNS-HXUWFJFHSA-N 396.472 2.570 0 40 GFAB O=C(NCc1cccc(OC2CC2)c1F)c1ccc(C(=O)N2CCOCC2)cc1 628072900 BZMJLLHDLGYKFB-UHFFFAOYSA-N 398.434 2.769 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96120129 VXAIONXQHOTESY-SFHVURJKSA-N 393.892 2.966 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585172789 YUPNAFKDPWQJAM-FQEVSTJZSA-N 380.488 2.585 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1 58972894 PRBYWHHWZIUNJG-IAGOWNOFSA-N 380.554 2.968 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccnc1Oc1ccccc1 103164863 OEBNDCLHEIACML-LSOMNZGLSA-N 389.411 2.620 0 40 GFAB CCc1c(C)nc(NC2CCN(C(=O)C3(c4ccccc4)CC3)CC2)[nH]c1=O 12114052 CGTYMYVQCBJZLF-UHFFFAOYSA-N 380.492 2.775 0 40 GFAB COc1ccc(-c2nccc3ccn(CC(=O)N4CCC(O)CC4)c23)cc1OC 12135514 FHLLJJUZACSIKJ-UHFFFAOYSA-N 395.459 2.704 0 40 GFAB Cn1c(N2CCC(C(=O)NCc3nc4ccccc4[nH]3)CC2)nc2ccccc21 12145795 ZFVRVJJEYBQQDN-UHFFFAOYSA-N 388.475 2.982 0 40 GFAB CC(C)(C)NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)c3ccco3)cc21 12220914 IHNYWIZYAZEVSA-UHFFFAOYSA-N 384.432 2.929 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)CC1=O 12766252 PCBCYKUBXVOMMH-HOTGVXAUSA-N 396.443 2.643 0 40 GFAB Cc1ccc2oc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc(=O)c2c1 17600642 VWHDRBKIYZSXPM-UHFFFAOYSA-N 377.352 2.554 0 40 GFAB CCC(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19498746 OSRGAFXFLDWZES-HNNXBMFYSA-N 397.523 2.852 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3cc4nccnc4[nH]3)CC2)cc1OC 19560380 XKHAMYZWOYFZQS-UHFFFAOYSA-N 380.448 2.924 0 40 GFAB Cc1cc(C)n(CCC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(=O)n1 19572469 YYJBWISLRGZJDH-UHFFFAOYSA-N 379.464 2.533 0 40 GFAB Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(N2CCOCC2)nc2ccccc12 19666987 VXODLSXZJDXWOU-AWEZNQCLSA-N 379.464 2.604 0 40 GFAB Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766653 URDJFQZJZCLZKR-SFHVURJKSA-N 397.454 2.592 0 40 GFAB COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@H]3C[C@@H]21 1578369 WMMZYEBFJWWUJX-NDMPBMFUSA-N 384.476 2.656 0 40 GFAB COc1cccc([C@@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2nccn2C)c1OC 100162680 PIWOIMWMPOQPPG-RVKKMQEKSA-N 387.480 2.848 0 40 GFAB O=c1[nH]c(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2ccsc12 9548599 OOIMDINFHBVQQA-QMMMGPOBSA-N 381.508 2.719 0 40 GFAB Cc1nc(C2CC2)nc(N2CCN(c3nc4ccccc4c(=O)n3C)CC2)c1C 1888890966 ZBHIDFLUNXFFMW-UHFFFAOYSA-N 390.491 2.544 0 40 GFAB FC(F)(F)c1csc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 1888897955 JEWSNSTUFPSVMM-UHFFFAOYSA-N 395.414 2.963 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)NC[C@H](c1ccccc1)N1CCCC1 23742342 JVEZIDSQYQXLCS-GOSISDBHSA-N 396.516 2.801 0 40 GFAB Nc1cc(I)c(Br)nc1Br 1857778033 PFNKEVINPOWRPA-UHFFFAOYSA-N 377.805 2.793 0 40 GFAB COc1ccc(CN2CCOC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)cc1 1565542191 GXZSIKFGHFUBHU-JOCHJYFZSA-N 399.491 2.551 0 40 GFAB Cc1ccc(CNC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)cc1 4377067 XFQLAPAIGHSTQW-UHFFFAOYSA-N 390.472 2.903 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccs3)no2)c1=O 23126937 GPLQLFBUBCPBBR-UHFFFAOYSA-N 382.445 2.979 0 40 GFAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F 23143680 XOWFYZBNHUTXRB-UHFFFAOYSA-N 389.351 2.791 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)c1 45970503 WKHVRIPRPURXBO-UHFFFAOYSA-N 383.477 2.709 0 40 GFAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4ccccc4F)CC3)C2=O)cc1 17041278 AUGNYNUUJWZYQP-UHFFFAOYSA-N 395.434 2.861 0 40 GFAB CCOc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 19533108 AMJNARZMFLEFDP-SFHVURJKSA-N 394.519 2.860 0 40 GFAB CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1 20283483 ZZYFRFBWWFYUPJ-FQEVSTJZSA-N 379.460 2.990 0 40 GFAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cccnc1OCC(F)(F)F 31294644 DKGWODVRMZSWFX-CYBMUJFWSA-N 376.281 2.764 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3N3CCCN23)cc1 101170927 SCRCIPFKSPGKPH-GUDVDZBRSA-N 397.862 2.884 0 40 GFAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NCCC1=CCCCC1 21249720 HSPYCHIPVCQVEU-AWEZNQCLSA-N 394.493 2.610 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 29505857 BQCRIXCKSUZKHP-KRWDZBQOSA-N 389.496 2.743 0 40 GFAB O=S(=O)(CCSc1nnnn1C1CC1)c1cc(Cl)ccc1Cl 29800225 HKYFRMJWBYEGAJ-UHFFFAOYSA-N 379.294 2.881 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C 8391337 CVIYTVABFHKCIQ-LBPRGKRZSA-N 380.441 2.576 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 102274440 YQPXLRZBYBIMPI-BEFAXECRSA-N 379.460 2.655 0 40 GFAB COCCn1ccc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)ccc21 79483020 RORAUCHTTJLPAN-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB O=C(NCCc1ccccn1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 79481709 ZPOBLLIRMPRQAC-UHFFFAOYSA-N 393.896 2.638 0 40 GFAB CC1=CC[C@@H](C(=O)O)[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1 4263131 XQHIJENHNLBVQI-VXGBXAGGSA-N 394.474 2.695 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7232231 FBJFTZIWHXXQTB-NVXWUHKLSA-N 396.443 2.787 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7986079 AFJOTPHTBDYANO-UHFFFAOYSA-N 394.349 2.926 0 40 GFAB CN(C)S(=O)(=O)c1cccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 8485161 MDMIPZVQQHBVSW-UHFFFAOYSA-N 394.802 2.819 0 40 GFAB CCOc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1OC 33311432 RQOZKFZAXPLRFX-XNTDXEJSSA-N 385.470 2.835 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)NCc1cccc2ccccc12 100466505 PLYFRCIGULBKGZ-ZQMBKUMFSA-N 386.451 2.509 0 40 GFAB COc1ccc(-c2cc(C(=O)NC3(CN4CCOCC4)CCCC3)on2)cc1 12371006 FSYUEBBZIZAXOZ-UHFFFAOYSA-N 385.464 2.725 0 40 GFAB COc1ccc(-c2noc(CN(c3ccccc3)S(C)(=O)=O)n2)cc1OC 23289064 QTGLJUCARYEFIJ-UHFFFAOYSA-N 389.433 2.720 0 40 GFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1OC 959024 NJKKYJKNNCEIGW-AWEZNQCLSA-N 393.241 2.901 0 40 GFAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(Cl)c1 24715009 ULMPWBPMUYGYDC-SFHVURJKSA-N 380.897 2.692 0 40 GFAB Cn1cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc21 12537417 YEPHYDJGUZZAGE-UHFFFAOYSA-N 377.444 2.581 0 40 GFAB CCN(CC)[C@H](CNC(=O)Cn1nc(C)c2ccccc2c1=O)c1ccccc1 24983711 DKKHZOYPINPANO-OAQYLSRUSA-N 392.503 2.904 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC[C@@H]1C1CCCC1 56033459 NTYRDOHEOBUMNQ-QGZVFWFLSA-N 393.505 2.803 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 20768365 BFOWWIHJZQORRY-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 58024520 KMUYSYQQERRGMM-MRXNPFEDSA-N 379.526 2.677 0 40 GFAB CCCOC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 2079007 VRRBWSRWAWGVFI-JSRAGOMMSA-N 375.424 2.832 0 40 GFAB CN(Cc1ccc(Br)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 27401556 OTUFXQKMVALXMD-UHFFFAOYSA-N 387.233 2.947 0 40 GFAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2cccc3ccccc23)cc1 58168626 CSJXTGAFZAHWGH-UHFFFAOYSA-N 379.445 2.831 0 40 GFAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 10233522 TXTRACQBUVATIK-CQSZACIVSA-N 379.464 2.786 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H](N2CCCC2)C1 58268697 WBVINOVQWLEHIM-AWEZNQCLSA-N 387.452 2.775 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2C(=O)NC(CC)(CC)C2=O)sc(C)c1C 23656608 GJIAZDQYKCEHIL-UHFFFAOYSA-N 395.481 2.591 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccc(F)cc1)(Nc1nc(C)cs1)C(F)(F)F 2292786 CQPSOVKLMKZKKY-CQSZACIVSA-N 391.346 2.864 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCCn2c(C)csc2=O)c1C 28135999 LZWQCHJNXKKNEA-CQSZACIVSA-N 392.477 2.961 0 40 GFAB Cc1cccc(OCCCNC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)c1 36396892 SWCNFLNYVZTWLV-UHFFFAOYSA-N 396.491 2.705 0 40 GFAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)o2)cc1 3357219 LZHBPURSDZACFQ-IBGZPJMESA-N 396.443 2.613 0 40 GFAB COc1cc([C@H]2NC(=O)c3oc4ccc(C)cc4c(=O)c32)cc(OC)c1OC 2351397 YKLJLWRDIJVNSS-QGZVFWFLSA-N 381.384 2.960 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 36575863 MMYKNDFREXCXGG-AEFFLSMTSA-N 388.443 2.794 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3cc(C4CC4)nn3C)c12 36619358 KEGKYNRINKMKPM-UHFFFAOYSA-N 377.408 2.795 0 40 GFAB CCn1c(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc2ccccc21 48374780 RJSMQBPEERAYEC-SFHVURJKSA-N 396.535 2.820 0 40 GFAB CC[C@H]1CCCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 23979527 FEVIPFYKVCFFBV-INIZCTEOSA-N 389.521 2.639 0 40 GFAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Nc1ccc2c(c1)OCO2 3439733 HDBZCOJKJFWQAC-QGZVFWFLSA-N 399.399 2.769 0 40 GFAB COc1ccc(CCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC 3406658 GKAHOLUYCDJWTI-UHFFFAOYSA-N 377.462 2.770 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 3565569 XHURKQHZZYRQIE-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 8479522 BPCDBFUQVJJKHP-INIZCTEOSA-N 392.477 2.887 0 40 GFAB COc1ccccc1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 6108147 NLIIMEZNKFTEEU-JOCHJYFZSA-N 378.428 2.834 0 40 GFAB COCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCCC1 4419077 MPTYFCUBGVBPOR-UHFFFAOYSA-N 388.537 2.814 0 40 GFAB CCCNC(=O)CSc1nnc([C@H](CC)N(C)C)n1Cc1ccccc1 4494478 FSVVXFXMSJGYOD-INIZCTEOSA-N 375.542 2.957 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)c(Cl)c3)C2=O)c1 4498351 PURWNPHDIVHOTE-OQLLNIDSSA-N 385.807 2.885 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)c2cccc(O)c2)cc1 65593298 LWGPTODCFLVGJA-MRCUWXFGSA-N 382.441 2.896 0 40 GFAB COc1c(C)cnc(CN2CCC(N(C)[C@H]3CCN(C(C)C)C3=O)CC2)c1C 91708627 VILBUAJMVKFBCW-FQEVSTJZSA-N 388.556 2.613 0 40 GFAB Cc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)s1 6587854 GXYMZKVWWSTRAP-UHFFFAOYSA-N 391.478 2.580 0 40 GFAB CN1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)c2nc3ccccc3nc21 8586365 DOYNBXKTVKMBBZ-UHFFFAOYSA-N 385.427 2.958 0 40 GFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 306136128 PKEFCOQSQMZDRD-HTAPYJJXSA-N 396.491 2.925 0 40 GFAB Cc1nnc(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 14803097 UUPTXPIDYVKEJW-UHFFFAOYSA-N 385.415 2.573 0 40 GFAB CCCCn1c(SCC(=O)OC(C)(C)C)nc2cc(S(N)(=O)=O)ccc21 4829568 PKOWQWXVKGYYKJ-UHFFFAOYSA-N 399.538 2.918 0 40 GFAB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NC1CCCC1 5970732 GCEUKIMSPRLKGK-HNNXBMFYSA-N 387.480 2.921 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCCc1ccc(C(F)(F)F)cc1 15440021 RZKZPMLUNAIZER-UHFFFAOYSA-N 375.350 2.774 0 40 GFAB C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1ccc(-n2cncn2)cc1 8776702 DKPRVZKOBFPGMH-AWEZNQCLSA-N 393.472 2.583 0 40 GFAB Cc1ccn2c(=O)cc(CSc3nnnn3CCc3cccs3)nc2c1 8745691 IKGPHROQZFCEKD-UHFFFAOYSA-N 384.490 2.586 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 7778483 WKLBYEZORFDSBF-JOYOIKCWSA-N 393.793 2.925 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@]3(COCc4cncnc43)C2)cc1 306130032 IULNZGCRVDCCKV-FQEVSTJZSA-N 387.505 2.637 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c(OC)c1 8217834 XHQYABWZAFPCPF-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(C(=O)OC(C)(C)C)CC1 60089984 KONBRUZVAPOQED-AWEZNQCLSA-N 399.499 2.811 0 40 GFAB c1ccc(Cn2c(SCCN3CCOCC3)nnc2-c2cccnc2)cc1 26098979 JAMJKSZKWIUBQS-UHFFFAOYSA-N 381.505 2.813 0 40 GFAB COc1cccc(-c2c(NC(=O)CN3CCOCC3)oc3ccccc3c2=O)c1 20573367 CRXBCWGUMHUDDR-UHFFFAOYSA-N 394.427 2.739 0 40 GFAB C[C@](O)(CNC(=O)[C@H]1CCCN1c1ncnc2ccccc12)c1ccsc1 89900606 DPQLIQOCDWRHAQ-XLIONFOSSA-N 382.489 2.684 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 20458945 KGVLATBVFCEQTH-SFHVURJKSA-N 392.477 2.887 0 40 GFAB COc1cccc([C@H]2Nc3ccccc3-c3c(O)nc(SC)n[n+]32)c1OC 27233039 PCDFWLSXOCGNLX-KRWDZBQOSA-O 383.453 2.848 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(SC)cc2)C1=O 409229771 UVOYACCKMCNCJD-LFIBNONCSA-N 397.456 2.949 0 40 GFAB CCCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994474 TZMOCEWWJHWONB-UHFFFAOYSA-N 378.517 2.878 0 40 GFAB CC1=C[C@]2(Nc3cc(C(C)C)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40546236 XVYCOQNXJOVICV-MRXNPFEDSA-N 380.242 2.663 0 40 GFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 47080966 FNOZGXYUTIYOEL-CVEARBPZSA-N 382.526 2.791 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(CN2CCCC2)cc1 224516329 FHCCUYQADXZTHB-UHFFFAOYSA-N 378.469 2.909 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223254561 HEZUABSYFCHVGY-WOJBJXKFSA-N 392.532 2.801 0 40 GFAB Cn1cc(CC(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)c2ccccc21 225789711 RYUIJCHSOYYRMZ-UHFFFAOYSA-N 389.503 2.738 0 40 GFAB CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 222615454 RXJPQJSYRMVAMZ-GOSISDBHSA-N 396.553 2.586 0 40 GFAB COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 224924954 ZGTOVUSVAKRMIR-UHFFFAOYSA-N 381.425 2.981 0 40 GFAB CCSc1nnc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)s1 224258144 MZKZZCZWYPWSII-UHFFFAOYSA-N 386.524 2.688 0 40 GFAB O=C(C1CCOCC1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96038262 QCYXADOZXYIWJH-UHFFFAOYSA-N 391.475 2.924 0 40 GFAB Cc1cc(C(=O)N2CC[C@@]3(COCc4cnc(-c5ccccc5)nc43)C2)no1 96244339 ZHBZOWYFUKRBEJ-NRFANRHFSA-N 376.416 2.754 0 40 GFAB CN(C)C(=O)[C@]12CCCN(C(=O)CC3CCCC3)C[C@H]1CN(c1ccccn1)C2 96251281 HIKLNKFORHMUKX-CVDCTZTESA-N 398.551 2.795 0 40 GFAB CN(Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)Cn1ccc2ccccc21 257290069 QBLLRXBAYLIGKI-HSZRJFAPSA-N 393.531 2.966 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252515397 JOKFNCKTRSNNSX-NUJGCVRESA-N 380.849 2.997 0 40 GFAB CC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cnc2O)CC12CCCCC2 635750671 OVBBIUPLKGYCCW-UHFFFAOYSA-N 385.386 2.813 0 40 GFAB O=C(CSc1nc2ccccc2s1)N1CC[C@H](Oc2ncc(F)cn2)C1 390828999 VSPIDGSVGPUCAR-LBPRGKRZSA-N 390.465 2.997 0 40 GFAB N#Cc1ccc(S(=O)(=O)NCC(O)(c2cccs2)c2cccs2)cc1 390828322 QHCXKTHHHGWDLR-UHFFFAOYSA-N 390.511 2.896 0 40 GFAB COC(=O)CCCNC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 50508034 HVYSUONKPFZYAA-GOSISDBHSA-N 378.519 2.827 0 40 GFAB O=C(Cn1ccnc1)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347956 VEGDRXRXLFSUDL-CYBMUJFWSA-N 378.358 2.510 0 40 GFAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@H]1CCO[C@H]1C)CC2 547697768 USQSPJJVXMYVOU-JCGIZDLHSA-N 376.522 2.903 0 40 GFAB O=C(N[C@]12CCC[C@@H]1N(c1ccc(C(F)(F)F)nn1)CC2)[C@H]1CCCOCC1 1615611425 LPPIPPHOPLGKKZ-YEWWUXTCSA-N 398.429 2.930 0 40 GFAB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccco4)nc32)cc1 5143504 WPTVVGYPOZXOSE-UHFFFAOYSA-N 377.404 2.765 0 40 GFAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085248 JVTYKSWBJPXICY-LBPRGKRZSA-N 375.404 2.985 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1 13363534 PHPBICQQCOHRHD-UHFFFAOYSA-N 382.416 2.959 0 40 GFAB C[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C(N)=O 14321953 AEDYLNLXCWUTAR-HNNXBMFYSA-N 399.454 2.750 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1 16691885 OECHEJDGOHTLEE-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)c(=O)n1C 19131625 RIABOTXVSXMJCS-CYBMUJFWSA-N 384.461 2.825 0 40 GFAB O=C(Nc1ccc([C@@H](O)Cn2cncn2)cc1)c1cn2cc(Cl)ccc2n1 19716734 IZSFLKHTOCVWID-INIZCTEOSA-N 382.811 2.565 0 40 GFAB CCN(c1ccc(OCC(=O)NCc2ccccc2Cl)cc1)S(C)(=O)=O 19937755 YLUCVNGXLXFDGZ-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 169293325 YEFCTMCIJSAHED-HXQJMZMJSA-N 377.227 2.691 0 40 GFAB CC(C)(C)NC(=O)NC(=O)COC(=O)/C=C/c1cccc(Br)c1 3429496 AGOWGTQYDWIXTD-BQYQJAHWSA-N 383.242 2.630 0 40 GFAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H]2CCS(=O)(=O)C2)sc1C 12228296 NRMIDJWTQOWAEW-UONOGXRCSA-N 384.548 2.656 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c(F)c1 19551773 MBZSIOHOQZHUBN-HNNXBMFYSA-N 395.438 2.754 0 40 GFAB O=C1[C@@H]2CN(c3ncc(C(F)(F)F)cc3F)C[C@H]2C(=O)N1c1ccccc1 1888870037 ASUDHMHOMBLABP-CHWSQXEVSA-N 379.313 2.865 0 40 GFAB Cn1cc(-c2cnc(OC3CCN(c4ncnc5ccsc45)CC3)nc2)cn1 1889217640 YBWUPNMHZNXECN-UHFFFAOYSA-N 393.476 2.930 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1C(=O)N1CCOCC1 27972923 OZSYNAGMJODHNL-UHFFFAOYSA-N 380.444 2.665 0 40 GFAB O=C(CCc1cccnc1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985679 RYLZYQCURZMVIP-HSZRJFAPSA-N 393.487 2.829 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)c1 4272622 FWEFKCJZPNCUPT-QGZVFWFLSA-N 392.459 2.755 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374224 TVVBYYQCNUJOPR-INIZCTEOSA-N 380.423 2.954 0 40 GFAB Cc1cc(C)cc(-n2nnc3c(=O)n(CC(=O)Nc4ccccc4C)cnc32)c1 5057236 OTEVYMJODGTKTI-UHFFFAOYSA-N 388.431 2.541 0 40 GFAB NC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1 5270673 NZQKPOLPTWTNHY-UHFFFAOYSA-N 381.819 2.901 0 40 GFAB COC(=O)c1c(NC(=O)c2ccn(C)n2)sc2c1CC(C)(C)NC2(C)C 11695501 RXBZHCQPKTZKEF-UHFFFAOYSA-N 376.482 2.680 0 40 GFAB COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850613 AQXSVZMUFXZCIB-LLVKDONJSA-N 391.474 2.614 0 40 GFAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccc(-n2cccc2)cc1 225770677 ONNGNJXTBRXYSP-UHFFFAOYSA-N 393.418 2.767 0 40 GFAB Cc1nc2ccccc2n1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 585149220 NWBJCOIVZJZSNF-INIZCTEOSA-N 383.473 2.915 0 40 GFAB COc1ccc2cc(C(=O)N3CCC(Oc4cc(C)n(C)c(=O)c4)CC3)[nH]c2c1 585326443 GXBHXCXZFOUQHO-UHFFFAOYSA-N 395.459 2.867 0 40 GFAB CCC[C@@H](C)N(C)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 30269679 ZDDNHNGFGQBEBW-GFCCVEGCSA-N 397.541 2.994 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)CC2 31239518 MAKVGRALAPSTQG-INIZCTEOSA-N 384.407 2.854 0 40 GFAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1 31818344 FYNFNMCOIWZEBU-ZDUSSCGKSA-N 379.376 2.587 0 40 GFAB C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[C@H](O)COCc2cccs2)C1=O 51381367 XCSKAPUHYDWYSY-KBXCAEBGSA-N 394.880 2.746 0 40 GFAB C[C@H](Nc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O)c1ccccc1 101694168 PJAHFNGNMLEQLP-HNNXBMFYSA-N 379.435 2.921 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)s1 917777 MWIJKQWFRNJAHZ-UHFFFAOYSA-N 390.494 2.635 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2C)s1 933561 VVCSCCMZHGLRGK-UHFFFAOYSA-N 390.494 2.539 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1Cl 32928391 KBOWUJQWGJWJRM-LBPRGKRZSA-N 382.869 2.560 0 40 GFAB O=C(Oc1ccc(-c2nnco2)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 32996065 JMHGBMQGYGWTKA-QGZVFWFLSA-N 377.400 2.733 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3cnc4c(c3)c(C)nn4C)CC2=O)cc1F 32903637 XTYSNMZZALZCPY-CYBMUJFWSA-N 381.411 2.716 0 40 GFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(C)c2OC)C1=O 6948470 HDZVNIRMPZLPQI-GDNBJRDFSA-N 392.477 2.917 0 40 GFAB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 6965150 RMLCYBCBVCMQTM-WYMLVPIESA-N 382.441 2.925 0 40 GFAB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O 8039575 FGFZHSZYYKZZRA-WMZOPIPTSA-N 380.444 2.769 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)cc1 658161 PRPOKBXXAIKRSO-UHFFFAOYSA-N 394.427 2.511 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 57449772 NVJXGHANXHKCFJ-UHFFFAOYSA-N 377.488 2.991 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@@H](O)COC[C@@H]1C[C@@H]3CC[C@@H]1C3)CC2 101244464 CYWXNJFSKDHIKG-YAJHFMINSA-N 375.509 2.876 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)CC1 23588480 TXLQWELTEZFWFO-CQSZACIVSA-N 393.944 2.874 0 40 GFAB CCOC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC)CCCC4)CC1 12409311 LWOOYUYRJZVOPU-UHFFFAOYSA-N 390.509 2.635 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1cccc2ccccc12 8325461 BZHYUZVNTCUBRH-ZBFHGGJFSA-N 397.504 2.975 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 3015274 VCHKJULYSAALLM-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB Cc1ccc2nc(NC(=O)CN3CCC(N(C)c4cccnn4)CC3)sc2c1 106083975 FGLCQAINEKHSRQ-UHFFFAOYSA-N 396.520 2.934 0 40 GFAB Cc1sc2ncn(CC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c(=O)c2c1C 12507776 CQODAOTVSRHDTA-NSHDSACASA-N 381.461 2.829 0 40 GFAB O=C(CCn1c(CO)nc2ccccc21)NC(=O)NC12CC3CC(CC(C3)C1)C2 12547732 ZNCLCQOIVYEIGN-UHFFFAOYSA-N 396.491 2.713 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 3217591 BJIOUPATLLMXLJ-BAMWUGHESA-N 392.521 2.510 0 40 GFAB COC(=O)c1ccc(OC[C@H](O)CN2CCCc3cc(F)c(F)cc32)cc1 26344470 QMTFZXROSCTCTB-OAHLLOKOSA-N 377.387 2.944 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)O)c12 26421281 PSBLLYMGWMMBQB-SNVBAGLBSA-N 377.447 2.526 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC 3277741 RBYKXJRQYOSBSZ-UHFFFAOYSA-N 381.331 2.786 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1C 20674053 GIBAFJIDFZUBKV-OAHLLOKOSA-N 394.479 2.730 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 48133728 IIFBKCCQMVRLPL-OAHLLOKOSA-N 391.435 2.545 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1OC 20367276 DCZRAFSTJQYBQG-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)c2ccccc2)c1 45114624 UDLXDYQUUXPWDO-HNNXBMFYSA-N 375.494 2.934 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCCn2c(C)csc2=O)c1C 28136004 LZWQCHJNXKKNEA-AWEZNQCLSA-N 392.477 2.961 0 40 GFAB CSc1ncc(Cl)c(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)n1 36395274 CKPCVIFZAAMPRL-UHFFFAOYSA-N 390.896 2.887 0 40 GFAB CCOC(=O)[C@@]1(C)C=C(Nc2ccc(O)c(C(=O)O)c2)C(=O)N1c1ccccc1 2304339 WMOMGLBWBZGINA-OAQYLSRUSA-N 396.399 2.755 0 40 GFAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cnccn1 2367561 KFRFJLUFQFKWMJ-UHFFFAOYSA-N 378.820 2.795 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1C(=O)O 48382880 ZQURUKRUFXDSOM-UHFFFAOYSA-N 394.424 2.934 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCO[C@@H](C)C3)C2)c2ccccc12 11500225 DVQJBFREBNCJFH-DLBZAZTESA-N 396.487 2.948 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1Cl 3595867 WUVOAARHJGALDG-VOJFVSQTSA-N 379.844 2.788 0 40 GFAB CCNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 3518549 QEQQNPGYZFKLFF-UHFFFAOYSA-N 381.388 2.806 0 40 GFAB Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCc1ccccn1 48649804 CUWCDNSAEZZEPK-UHFFFAOYSA-N 376.254 2.758 0 40 GFAB CC(=O)c1ccccc1OCCN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 13005488 DFWLWALPCQNFHD-LJQANCHMSA-N 391.427 2.912 0 40 GFAB CCOc1ccc(NC(=O)C[C@H]2NC(Nc3ccc(OCC)cc3)=NC2=O)cc1 13736525 OOUANLXULHXCEA-GOSISDBHSA-N 396.447 2.779 0 40 GFAB CCOCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 20889111 UIHZXHXXUWEWSM-UHFFFAOYSA-N 388.489 2.594 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 5150606 XEWIUPFMDBBCTJ-DCXXXQMHSA-N 381.453 2.774 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 5388219 RMEBWDJTMGXWMK-UHFFFAOYSA-N 377.400 2.726 0 40 GFAB CC[C@@H](CO)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 14196855 VYMQQLHYTHZXQB-ZDUSSCGKSA-N 376.526 2.585 0 40 GFAB CNC(=O)NC(=O)[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 6612071 DUGBGELHSYIDQX-INIZCTEOSA-N 394.349 2.988 0 40 GFAB CN1CCN(c2ncccc2CNC(=O)N2CCC[C@@H]2c2ccccc2)CC1 66891669 KPIOHTDXEWBNTN-HXUWFJFHSA-N 379.508 2.880 0 40 GFAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3c(c2)nnn3CC)cc1 5805090 CBQPFQWPAGXDQU-UHFFFAOYSA-N 380.404 2.839 0 40 GFAB CCOc1cccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)Nc3ncnn32)c1 4987115 FLLBLHUPWKGHTC-SJLPKXTDSA-N 384.436 2.688 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(-n2ccnc2)cc1 7286607 BCGYLESGZWQTPF-AWEZNQCLSA-N 396.472 2.797 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20107005 KYPVBDWRAWJVKI-GFCCVEGCSA-N 389.404 2.905 0 40 GFAB CCCn1c(=O)n(C)c(=O)c2c(SCc3cc(C)on3)nc(C(C)C)nc21 9050126 ATZCLUXRQKSLHZ-UHFFFAOYSA-N 389.481 2.612 0 40 GFAB CC(C)C(=O)N1CCCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 68188556 XRISQPCWMWHQOM-UHFFFAOYSA-N 394.475 2.664 0 40 GFAB COc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)NC1CC1 7626831 BNOOYRHWQYHVQP-GDBMZVCRSA-N 392.521 2.788 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cn(C)c(=O)c4ccccc34)CC2)c1 71283993 HFSQXEXUUPJCCL-UHFFFAOYSA-N 377.444 2.510 0 40 GFAB Cc1cc(=O)n2nc(COC(=O)CCC(=O)c3ccc(C)s3)sc2n1 7820823 YJPPIATXGWYYCW-UHFFFAOYSA-N 377.447 2.536 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 16455032 NHVRGAYVQLNNSU-LRTDBIEQSA-N 381.407 2.571 0 40 GFAB COc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1 9318362 PDVSNQHQASXIHK-ZDUSSCGKSA-N 379.372 2.994 0 40 GFAB COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C2CC2)cc1 8163991 ZBTBZMQGEOUDIN-UHFFFAOYSA-N 388.489 2.750 0 40 GFAB CSc1cccc(NC(=O)CCc2c(C)nc(SCC(N)=O)nc2C)c1 9691264 UWTZDGUKAJDWQQ-UHFFFAOYSA-N 390.534 2.964 0 40 GFAB C[C@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1)N1CCCCC1 72427669 FFKGSBWMZKGXAX-OAHLLOKOSA-N 376.478 2.717 0 40 GFAB COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCCN(C(=O)NC(C)C)C2)cc1 95998899 ZPYUPFBQTYMVMT-HNNXBMFYSA-N 385.468 2.968 0 40 GFAB O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1 89823119 ZCZNRPZVDATYIM-KRWDZBQOSA-N 398.440 2.843 0 40 GFAB Cc1nnc(Sc2ccc([C@H]3N[C@@H](C(=O)O)CS3)cc2[N+](=O)[O-])s1 35339451 KCTOAMPABIEJMO-KCJUWKMLSA-N 384.464 2.694 0 40 GFAB c1ccc(CCc2nnc3n2CCN(Cc2ccc4c(c2)OCCO4)CC3)cc1 11909611 PDECJAMEJRQHAY-UHFFFAOYSA-N 390.487 2.893 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCCCc1ccccc1 408708741 MASHABYLADSAST-UHFFFAOYSA-N 381.476 2.902 0 40 GFAB Cc1cc(NC(=O)Cn2cc(-c3nc(-c4cccs4)no3)ccc2=O)no1 77199959 FVAQPFVGIVRUMS-UHFFFAOYSA-N 383.389 2.562 0 40 GFAB CC[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1OCC(=O)N(C)C 559146734 CGMHKBZISBZJEE-ICSRJNTNSA-N 388.483 2.937 0 40 GFAB O=C(N1CCn2c(nnc2[C@@H]2CCCNC2)C1)C1(c2ccc(F)cc2)CCCC1 72372149 QQLSBCZGRBREJG-MRXNPFEDSA-N 397.498 2.738 0 40 GFAB Cc1ccc(N2CCC(CNC(=O)/C=C/c3ccc4c(c3)OCO4)CC2)nn1 70929881 YQLLHPHXRKHSCQ-QPJJXVBHSA-N 380.448 2.560 0 40 GFAB COc1cc2c(cc1S(=O)(=O)NCc1ccc3c(c1)OCO3)CCCC2 224960227 GFNHVGJVBXYYPN-UHFFFAOYSA-N 375.446 2.781 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)c1 223304259 NPLBNQRVZPURJK-UHFFFAOYSA-N 387.508 2.874 0 40 GFAB COc1ccc(C)cc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225165486 FEZBTPXIJJNYEW-KRWDZBQOSA-N 377.462 2.628 0 40 GFAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1F 225210710 DLDOYYDEDVBKNV-UHFFFAOYSA-N 394.512 2.672 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(F)c(F)c2)cc1 224602213 BBLZCFNFYXUJNF-UHFFFAOYSA-N 385.388 2.732 0 40 GFAB CCOCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224253358 PBZJDVBTALZTKY-UHFFFAOYSA-N 376.478 2.668 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)Cc2cccc(OC)c2)CC1 40107975 NQZZFPCLYKDWNC-UHFFFAOYSA-N 381.520 2.692 0 40 GFAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 223893223 ZDEBPZOMHJZDMB-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB COc1ccc2c(c1)c(C(=O)Nc1ccc(N3CCCS3(=O)=O)cc1)cn2C 95477428 KAPZMGIGRRLUGA-UHFFFAOYSA-N 399.472 2.979 0 40 GFAB COC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242538925 JIDSSZFALXRQKC-IPMKNSEASA-N 395.908 2.880 0 40 GFAB N[C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 652375124 JGTQWIWMVUIYCT-KYOSRNDESA-N 393.336 2.900 0 40 GFAB O=C(NCc1ccc(Cl)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377649 FQDHWQPPYJBIRA-UHFFFAOYSA-N 382.844 2.847 0 40 GFAB Cc1c(C(=O)Nc2cc(CCc3ccccc3)ccn2)nnn1[C@@H]1CCNC1 662491683 LHILWOPPNIGISM-GOSISDBHSA-N 376.464 2.553 0 40 GFAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccc(F)cc3C)CC2)C1 585102910 HXDGYSUQTVGOST-KRWDZBQOSA-N 378.488 2.581 0 40 GFAB C[C@@H]1CCCCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 57663413 UARTYJVTNJGXPL-LLVKDONJSA-N 379.254 2.836 0 40 GFAB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)o3)cc(N)c2=O)cc1Cl 12182821 YYBYNAOYGVMVDS-UHFFFAOYSA-N 388.811 2.695 0 40 GFAB O=C(COc1cccc(Cl)c1)NC[C@@H](c1cccs1)N1CCOCC1 12973355 QZAVRZDBDLOSFZ-INIZCTEOSA-N 380.897 2.970 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1OC 13581335 ZBDBQMIFKXAZTP-UHFFFAOYSA-N 390.505 2.698 0 40 GFAB CCCCc1nn2c(=O)cc(COC(=O)COc3ccc(F)cc3)nc2s1 15734082 JGAKCYHUHQKALB-UHFFFAOYSA-N 391.424 2.755 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@@H](c2ccc(F)cc2)N(C)C)n1C 19289265 LOJWZXJXBIXBNQ-HUUCEWRRSA-N 377.489 2.643 0 40 GFAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19499442 RDDWIBNAJPGLLH-ZWKOTPCHSA-N 396.491 2.652 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(CN(C)C)n(C)n3)CC2)cc1C 19710230 HPOGCXXEQBYFJH-UHFFFAOYSA-N 390.553 2.667 0 40 GFAB CN(CCO)C(=O)c1cc([C@@H]2CN(C3CCCC3)CCO2)nc2ccccc12 19754425 GRXJJGBGBGLWBA-NRFANRHFSA-N 383.492 2.615 0 40 GFAB COc1ccc(OCC(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 19798462 AEMUTWIVBBTHEY-UHFFFAOYSA-N 379.460 2.900 0 40 GFAB COCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2n2nnnc12 35312122 OZPAUYGMSKZVLE-UHFFFAOYSA-N 389.459 2.804 0 40 GFAB Cc1cc2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc(C(F)(F)F)n2n1 13226835 MGLHUETWEBPOMJ-AWEZNQCLSA-N 382.386 2.942 0 40 GFAB Brc1cnc(NC2CCN(c3cc4c(nn3)CCCC4)CC2)nc1 585149457 UAVFVRBVXRRIJK-UHFFFAOYSA-N 389.301 2.989 0 40 GFAB CC(=O)c1ccccc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10167582 IHWPLSMCXHTHIO-QGZVFWFLSA-N 386.473 2.521 0 40 GFAB CCN(Cc1cccc(NS(=O)(=O)c2ccc3nc(O)oc3c2)c1)C(C)=O 32599393 GLTRHMMAJOOZRZ-UHFFFAOYSA-N 389.433 2.703 0 40 GFAB Cc1ccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 1775995383 RPFOBKHUYNFCDT-UHFFFAOYSA-N 379.504 2.912 0 40 GFAB COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1 5257097 RLSSFWOBXXYLQS-UHFFFAOYSA-N 388.880 2.897 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccco1 9659263 XUBFOKNAWSIODE-UHFFFAOYSA-N 385.401 2.576 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 10326504 ATDJVYIKGQDIHJ-UHFFFAOYSA-N 382.294 2.569 0 40 GFAB COc1cccc(CNC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1 12235335 MFUXXHXNHICNOU-UHFFFAOYSA-N 392.459 2.740 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)c1 13702094 WYWWHFOLJOENKT-UHFFFAOYSA-N 387.465 2.760 0 40 GFAB COc1ccc(-c2cc(=O)n(CC(=O)N3c4ccccc4C[C@H]3C)cn2)cc1 13807181 OCABAAGWYYPOIP-OAHLLOKOSA-N 375.428 2.897 0 40 GFAB CCC(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 21113638 RTZHRYTZIZLAQK-UHFFFAOYSA-N 391.435 2.568 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127424 UBEYNMAWOAUYLL-UHFFFAOYSA-N 395.503 2.971 0 40 GFAB CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3nnc(C)s3)cn2)cc1 49028228 RKZFUNVUVZUCFP-UHFFFAOYSA-N 399.476 2.888 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575615933 HBJXHVXEYLRIKY-VQTJNVASSA-N 385.485 2.689 0 40 GFAB O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 1144860 VPPDEEZJOFBAPZ-QTDGGUCWSA-N 375.424 2.712 0 40 GFAB biogenic COc1ccccc1[C@@H]1N=C2NCN(C(C)C)CN2c2nc3ccccc3n21 20101729 BXDAAGXJTKSCNO-LJQANCHMSA-N 376.464 2.996 0 40 GFAB O=C(CSc1ccccc1Cl)NCc1ccc(N2CCOCC2)nc1 21122167 DVAFFTBUZUXMKQ-UHFFFAOYSA-N 377.897 2.980 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)ccc21 32777968 FJVDRFXLMOTXKK-UHFFFAOYSA-N 388.427 2.702 0 40 GFAB CCc1ccccc1-n1c(COc2ccc(OC)cc2)nnc1SCC(N)=O 1328420 FCPXZIPABVAPOW-UHFFFAOYSA-N 398.488 2.995 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)cc1 3549317 KHOJKTPOPRFOCJ-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB O=C(COc1ccccc1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4183423 DRNKRMCARKKRIV-ZDUSSCGKSA-N 399.921 2.996 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 4621985 MYXNXAUEGCTIKI-UHFFFAOYSA-N 384.505 2.574 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 4984816 JGUYVUYFADMVGX-GOSISDBHSA-N 377.444 2.893 0 40 GFAB Cc1cccc(NC(=O)COc2ccc([C@@H]3CC(=O)Nc4ncnn43)cc2)c1 6207165 QZWHCYRKRUXLDX-KRWDZBQOSA-N 377.404 2.536 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 100730961 NHEFEMDADZMEIE-IAGOWNOFSA-N 388.508 2.793 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)/C=C/c3cccc(Cl)c3)no2)cn1 96001742 IOXWUFPNWOHGJR-SQRWCISFSA-N 399.838 2.737 0 40 GFAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 8416576 RWSDEJCAFKYWHN-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670393 VVEDKJNPNPKZSO-RTBURBONSA-N 388.491 2.511 0 40 GFAB Cc1ccc(CCC(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 42267966 DOJZFKGSBLVDDF-UHFFFAOYSA-N 375.446 2.512 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2cccc(OC)c2)c1 27945205 APROTLMABZPFCR-UHFFFAOYSA-N 383.853 2.956 0 40 GFAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc2[nH]nnc2c1 25339301 VCMZWLPQOLDAHA-UHFFFAOYSA-N 384.749 2.867 0 40 GFAB C[C@@H]1C(=O)[C@@]23[C@H]4[C@@H](O)C[C@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H](O)[C@@]41C 100359634 MDODVBXGWQIKBY-JCQLEODDSA-N 392.536 2.916 0 40 GFAB Cc1csc(NC(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)n1 101656394 NASAJJLPTGGXSC-OKILXGFUSA-N 398.488 2.900 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2F)c(C)c1 26775845 YTUNYRNEDBIWOJ-UHFFFAOYSA-N 378.469 2.736 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCCCC(=O)c2cccs2)cc1 3340049 RRBFUDASHWHHID-UHFFFAOYSA-N 381.475 2.818 0 40 GFAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2nccs2)CC1 10270232 IOAZWYRUCYNXQN-UHFFFAOYSA-N 379.869 2.920 0 40 GFAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(-n3cnnn3)cc2)o1 27794235 PWCNBGVAQVYEJS-UHFFFAOYSA-N 393.403 2.765 0 40 GFAB COc1ccc(-c2nc(C(=O)NCC(C)(C)N3CCOCC3)cs2)cc1 58338820 OPKLMXJEPOIKFK-UHFFFAOYSA-N 375.494 2.659 0 40 GFAB CCOC(=O)CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 58440755 XOSLJUKTDQHKJX-KRWDZBQOSA-N 398.434 2.771 0 40 GFAB COc1cc(OC)cc(C(=O)NCC(=O)OCc2nc3ccccc3s2)c1 3392624 XIAYOMGJJOAMNX-UHFFFAOYSA-N 386.429 2.787 0 40 GFAB CC(C)n1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2ccccc21 36394167 NSXOXEMUPMKROQ-UHFFFAOYSA-N 390.553 2.936 0 40 GFAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cn3cccnc3n2)CC1 36395006 DMLJDQGOPWYURC-CQSZACIVSA-N 392.488 2.858 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2scnc2C)cc1 58941569 UNNQMUOREHFCJS-GFCCVEGCSA-N 381.523 2.973 0 40 GFAB Cc1nn(C)cc1C[C@H](C)Nc1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 36618608 RWPOSBFYEHJUTA-JTQLQIEISA-N 379.390 2.981 0 40 GFAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccccc1OC(F)(F)F 48332603 GUZCHNSFMYHKKN-UHFFFAOYSA-N 398.366 2.644 0 40 GFAB CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 11450664 MNGHSOSKPUXBBE-UHFFFAOYSA-N 394.518 2.730 0 40 GFAB CC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 12852798 SSKRBMLISSPGIB-UHFFFAOYSA-N 377.400 2.777 0 40 GFAB CCN(Cc1cccs1)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 12898210 NASPNMMBHHJXDK-UHFFFAOYSA-N 381.523 2.529 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 3458525 YXCDWZOXZDNZJQ-KRWDZBQOSA-N 385.489 2.828 0 40 GFAB CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(=O)NC(C)C)s1 8429004 OZZXUQOTKLEZHX-SNVBAGLBSA-N 376.573 2.504 0 40 GFAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(=O)N2CCSCC2)C1 13683193 WAVKOTHWQDQXRP-KRWDZBQOSA-N 385.533 2.915 0 40 GFAB CCCCCC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C1=O 6052416 IIDHGEKBYYSQCO-FQEVSTJZSA-N 375.469 2.592 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 62022836 DDECBWIFCOYJSS-QGZVFWFLSA-N 390.447 2.720 0 40 GFAB Cc1ccccc1CN(C)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4468976 IWOYCBCNPCZXQD-HSZRJFAPSA-N 391.471 2.737 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4468970 KXMPBUWCGUAZKP-JOCHJYFZSA-N 377.444 2.971 0 40 GFAB COc1ccc2c(C)c(CC(=O)NCCCOC(C)C)c(=O)oc2c1OC 5346464 JMVZYCWLHLLKHF-UHFFFAOYSA-N 377.437 2.592 0 40 GFAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)CNC(C)=O 4571318 CPEYARSGPZHLMZ-FQEVSTJZSA-N 393.553 2.830 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC 14229001 VUDGHWBOJVYXIE-UHFFFAOYSA-N 399.415 2.673 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 5612537 OTNXBVDADTUGMI-UHFFFAOYSA-N 376.522 2.883 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 67285928 UILBXROCJFXWAE-KRWDZBQOSA-N 379.407 2.622 0 40 GFAB CCCCN(CC)C(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O 67226539 SAQBTJZERWSXIZ-UHFFFAOYSA-N 397.479 2.524 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc(F)cc1F)CC2 7005230 GBJVUCRVCVCYKH-UHFFFAOYSA-N 391.370 2.724 0 40 GFAB COc1ccc(NC(=O)C2=NN(CC(=O)Nc3cccc(C)c3)C(=O)CC2)cc1 67336694 UQJHGMPEMCHDNY-UHFFFAOYSA-N 394.431 2.559 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccccc2F)cc1 8993908 SVBCONYJENNOBB-UHFFFAOYSA-N 379.457 2.975 0 40 GFAB CCCNC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7522378 XZEVVBBXJXCAIG-AWEZNQCLSA-N 385.464 2.585 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1S(N)(=O)=O 8111030 SLYBDJTXMGFCEJ-UHFFFAOYSA-N 395.289 2.750 0 40 GFAB O=C(NCc1ccccn1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 8290049 NQVJBMYMNRTSEX-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccccc3C)CC2)CC1 408971811 QMFIKTPWZAUUEG-UHFFFAOYSA-N 386.492 2.649 0 40 GFAB CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 83877664 VOXBKUADOWZSBH-QGZVFWFLSA-N 394.523 2.838 0 40 GFAB CCn1ccnc1/C=C/C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 95451540 JLIXXRIUTWOHKG-NPQIQWPPSA-N 376.407 2.913 0 40 GFAB CCc1[nH]c(C(=O)OCc2nc(N)c3c(C)c(C)oc3n2)c(C)c1C(=O)OC 89279953 GIZMHKVWPIUQGV-UHFFFAOYSA-N 386.408 2.764 0 40 GFAB O=C(c1ccco1)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306144915 ZSCJDDWTPUIONU-QZTJIDSGSA-N 379.391 2.942 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 22530401 HWAYEGAFGWOSCV-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB CN(C)CCN1CCC[C@@]2(CN(CC3CCCC3)C[C@@H]2c2cccnc2)C1=O 306126555 DYXZHMBAGQZHLE-GGAORHGYSA-N 384.568 2.841 0 40 GFAB CCOC(=O)Cn1c(=O)n2nc(-c3ccncc3)nc2c2c(CC)c(C)sc21 31820570 ZFNZEURRGFKXAC-UHFFFAOYSA-N 397.460 2.602 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c1 1556858458 BWGASKYHVBFECS-CYBMUJFWSA-N 395.463 2.983 0 40 GFAB CCn1cc(-c2n[nH]cc2C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cn1 548633542 CWPOITBQFXYMRC-HNNXBMFYSA-N 382.443 2.831 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NCC2(C)Cc3ccccc3C2)CC1=O 537702893 YWTBXPMPPMHNOE-GOSISDBHSA-N 378.472 2.969 0 40 GFAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(C(=O)OC)o3)cc2oc1=O 36369923 REGWCCINNQDDSJ-UHFFFAOYSA-N 386.356 2.776 0 40 GFAB biogenic COc1ccc(-c2nc(CNC(=O)c3ccc(-n4cccn4)nn3)cs2)cc1 70641275 OMGQRCGAQWJJGI-UHFFFAOYSA-N 392.444 2.724 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655994 SHXDPZDBEYPMPR-MRXNPFEDSA-N 392.463 2.834 0 40 GFAB CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccc4cc[nH]c34)cc2CC1 560013364 PTZFWRVGOBAIKT-UHFFFAOYSA-N 383.473 2.916 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1cc(-c2ccccc2)ncc1=O 72403699 MXXDQEJNNAAMCS-UHFFFAOYSA-N 392.415 2.516 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1F 70762676 QRXBHFBLRDFXSY-CQSZACIVSA-N 381.322 2.693 0 40 GFAB COC(=O)CN1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3ccc(OC)cc3)nn12 72337688 PWRQUZAYRRUXMC-KDOFPFPSSA-N 378.432 2.640 0 40 GFAB CCCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC 224708147 VTJYHXQRXHVFNH-UHFFFAOYSA-N 392.477 2.912 0 40 GFAB Cc1ccc(-n2nnc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 77100296 CDOIDYNLVAUPGR-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1Cl 41151897 DCAKCUXPWVCLBC-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCOC 223262835 JGXDOLBZLUALMF-NRFANRHFSA-N 398.503 2.808 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)C1 222615922 PNNXMSDXSFPGLT-NVXWUHKLSA-N 394.537 2.775 0 40 GFAB CSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)s1 223592079 SZQFSOZPCQBYLD-UHFFFAOYSA-N 378.888 2.537 0 40 GFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c1 223243179 YVDVNFRNHNYQRF-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1F 145543112 RHQHOAKKMOPGAL-UHFFFAOYSA-N 381.381 2.590 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1C 95480336 MSBMKHDBOCDQLR-UHFFFAOYSA-N 383.408 2.854 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1 90469691 WXQFHIXVEGWTFS-SFHVURJKSA-N 398.415 2.731 0 40 GFAB CC(C)n1cnc2c1[C@@H](C(=O)NCCCN(C)C)N(Cc1ccccc1)CC2 96037535 HZRAPUVANZPMOD-NRFANRHFSA-N 383.540 2.631 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1ccco1)NC2=O 247957504 PDUFOBXTUSCOGH-UNAUEFFGSA-N 396.443 2.859 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257221499 DPHQRHAWLMZBGA-MRXNPFEDSA-N 398.394 2.973 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 257241066 HWLDWGUERDLXBN-CQSZACIVSA-N 382.493 2.970 0 40 GFAB O=C1CC[C@@H](NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C2(CCC2)N1 585080411 ISFPXUCAKVSMAV-CQSZACIVSA-N 392.381 2.822 0 40 GFAB CCN1CC[C@H](NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1=O 585080387 FNWVNUCPVFCLAW-FQEVSTJZSA-N 378.476 2.932 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)ncn1 257280790 OMLPHRKJDOUCDJ-KRWDZBQOSA-N 397.523 2.871 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cnc3c(F)cccc3c1)C2=O 618032932 XTRYJIHSEXLUQB-FKIZINRSSA-N 384.411 2.813 0 40 GFAB CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc([C@@H]2CCCNC2)nn1 640984612 RWVCGPWYYRIPLX-CYBMUJFWSA-N 382.295 2.711 0 40 GFAB Cc1nnc2c(N3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)nccn12 390830011 ICUVJRBRGFDCLX-LBPRGKRZSA-N 391.262 2.748 0 40 GFAB COc1ccc(COCC(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cn1 585123711 KVHBXVBUAUZNGW-IBGZPJMESA-N 380.366 2.982 0 40 GFAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N(C(C)C)C(C)C)nc3c12 12182068 CBXMZZCZTCVSJA-UHFFFAOYSA-N 375.498 2.622 0 40 GFAB O=C1CCCN1c1ccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1 12292126 OYNXXAGSKLHTAO-OAQYLSRUSA-N 398.478 2.970 0 40 GFAB COc1cc(C(=O)NC2CCCCCCC2)c(N(C)S(C)(=O)=O)cc1OC 13582734 FCUOOJDKVIRXMQ-UHFFFAOYSA-N 398.525 2.942 0 40 GFAB O=C(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 15675056 BQCRHCLRMALWCC-MSOLQXFVSA-N 379.416 2.667 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2)cc1Cl 16576821 XWEJFOXJJIDMBN-CYBMUJFWSA-N 396.896 2.847 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)CC3CCCCC3)cc2)CC1 16740357 GJFFKTQSCYFPGI-UHFFFAOYSA-N 379.526 2.532 0 40 GFAB COc1ccc(CNCCn2nc([C@@H]3CCN(C(C)=O)C3)c3cccnc32)cc1 19016574 BGGXWPOLHRNFLL-GOSISDBHSA-N 393.491 2.566 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCC3)CC1)O2 19218058 AWYQSWCCOKHSEM-KSFYIVLOSA-N 384.476 2.722 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(CCOc4cccc(C)c4)C3)ncc2C1 19235186 JMVWQDDTJDHDLO-GOSISDBHSA-N 380.492 2.558 0 40 GFAB O=C(CC[C@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19406376 DQWCQJQWHMSNFP-CQSZACIVSA-N 388.493 2.559 0 40 GFAB COc1ccc(CCc2nnc(NC(=O)c3cncnc3C)s2)cc1OC 19553037 SSGZQDBBGVUVIJ-UHFFFAOYSA-N 385.449 2.691 0 40 GFAB O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cc(-c2ccc(F)cc2)no1 19659466 DPZKYDFZOHBXTJ-LJQANCHMSA-N 396.422 2.679 0 40 GFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(c2ncccn2)CCO1 19697740 HZKFGJMPIWVTNB-HNNXBMFYSA-N 398.488 2.645 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)c3ccnn3C(C)C)C2)n1 19739183 HSGFAKGNVPIXDP-GOSISDBHSA-N 396.539 2.549 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 408560305 OJSCWCQZSOELSX-ZDUSSCGKSA-N 398.440 2.874 0 40 GFAB COc1ccc(CC(=O)N2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc1OC 100141221 MIRCHNPPQZOWAD-RDJZCZTQSA-N 392.459 2.886 0 40 GFAB O=C1CO[C@H]2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CN1c1ccccc1 2037978429 VUPDQRDXCYRZTI-QUCCMNQESA-N 394.471 2.712 0 40 GFAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@@H](NCC3CC3)CS2)C1 2056224171 KTZIHVBIYDTTGQ-CYBMUJFWSA-N 395.575 2.545 0 40 GFAB COCCn1c(SCc2ccc(F)cc2)nnc1-c1cn(C)nc1OC 12422662 ZUEXEMRIZZKIAO-UHFFFAOYSA-N 377.445 2.765 0 40 GFAB O=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1 17178786 IGWASUFNMBDGJA-UHFFFAOYSA-N 386.517 2.514 0 40 GFAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(N2C(=O)CSC2=O)CC1 206980612 BNASPLUELRNDHR-UHFFFAOYSA-N 388.367 2.885 0 40 GFAB CCOc1ccccc1NC(=O)CN1CCN(Cc2nc3ccccc3[nH]2)CC1 35598332 WSECIAQRGGSMMQ-UHFFFAOYSA-N 393.491 2.718 0 40 GFAB O=S(=O)(NC[C@H](c1ccsc1)n1cccn1)c1cccc2nsnc12 575614399 RMIDAICHCNRNRG-CYBMUJFWSA-N 391.503 2.517 0 40 GFAB COC(=O)C[C@H](NS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(F)cc1 40158795 WIDZSQVAUNJIEU-KRWDZBQOSA-N 379.409 2.611 0 40 GFAB CC(C)CC[C@@H](C)NC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O 40159411 JXIOIQDITSIULY-YJYMSZOUSA-N 377.510 2.931 0 40 GFAB COc1cccc(N2C(=O)C[C@@H](NNc3ncc(Cl)cc3Cl)C2=O)c1 100121619 LHLRTCQPWMBQJA-CYBMUJFWSA-N 381.219 2.646 0 40 GFAB CC(=O)NC1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 50990305 RFCWZBYFYTYGQE-OAQYLSRUSA-N 375.488 2.774 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)NCc3ccnc(N4CCCC4)c3)CC2=O)c1C 29552979 XCSGJSKOLRKTOH-LJQANCHMSA-N 392.503 2.968 0 40 GFAB COc1cc(CNC(=O)CNC(=O)c2ccc(C)c(C)c2)ccc1OC(F)F 8127327 KBFQBYQUUSYYOJ-UHFFFAOYSA-N 392.402 2.960 0 40 GFAB CCC(=O)N(c1nnc(SCC(=O)NCc2cccs2)s1)C1CC1 32739659 CQVKCRAYOLCELR-UHFFFAOYSA-N 382.536 2.914 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1C 904636 GGQVMBHUEHUBMZ-CQSZACIVSA-N 390.509 2.753 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 1289478 RNCACOWAAXKWCL-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB CCOC(=O)c1cc(C)n(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1C 32841692 IWCRWDNZGXVSHL-FQEVSTJZSA-N 383.492 2.797 0 40 GFAB COP(=O)(OC)[C@@H](O)C(Br)(Br)Br 1592100 XDEUQGWSPGVPSM-GSVOUGTGSA-N 390.790 2.629 0 40 GFAB CC(=O)OCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 2950117 RNZKOTBIIPFCJV-AQTBWJFISA-N 386.835 2.790 0 40 GFAB biogenic O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(Cl)cc1 4984903 JCKRKLAVAKLCKS-QGZVFWFLSA-N 383.835 2.930 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1C 7295788 ZVAMHCQQSBSFLT-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB CCOc1ccc(C(C)=O)cc1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 8025316 JXBLFNMRBRGDGV-CYBMUJFWSA-N 388.489 2.887 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 8637545 RQSKBZBPIHLBKH-UHFFFAOYSA-N 389.473 2.958 0 40 GFAB O=C(C1[C@H]2CCCC[C@H]12)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 100739041 VGLVEJVBSYFSEE-ZQDZILKHSA-N 379.455 2.943 0 40 GFAB CCOc1ccc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1OCC 57003483 WOFUSJSJQXWQQK-GHTZIAJQSA-N 384.476 2.984 0 40 GFAB CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 106394551 HICNNYGZXMAYDP-SFHVURJKSA-N 394.475 2.661 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C[C@](O)(c1nccn1C)C(F)(F)F 12529760 NJOZUVOOSWLRMN-AWEZNQCLSA-N 377.750 2.861 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 12540580 DUULYYNFNLTXDV-GOSISDBHSA-N 386.411 2.784 0 40 GFAB Cc1occc1CN(C)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 56252364 YAAIBQZFOKVOTM-SJORKVTESA-N 376.453 2.528 0 40 GFAB C[C@@H]1CN(CC2CCN(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)C[C@@H](C)O1 107349953 FUZIDKSXUOOURP-AAPKDCIVSA-N 391.600 2.749 0 40 GFAB NC(=O)NCc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1 26094524 LNPXUTXMTSCDIY-UHFFFAOYSA-N 376.796 2.637 0 40 GFAB COc1cc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c(OC)c2c1OCO2 35326226 RQXVDJSAWUOHJO-LLVKDONJSA-N 396.351 2.980 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)N(C)Cc2ccccc2)cc(OC)c1OC 3254135 JPEHNNBDJIVKEL-ZHACJKMWSA-N 399.443 2.927 0 40 GFAB COc1cccc([C@H](C)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 108455672 BZHZTMHKFVBXPI-DZFGPLHGSA-N 379.504 2.945 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(C(F)(F)F)cc1 12623869 ZENJQXCPMLSHNK-HUUCEWRRSA-N 382.382 2.887 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 48110434 ZZESZSLVNHGVAO-GFCCVEGCSA-N 384.457 2.940 0 40 GFAB CCC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1C 48260207 AMPPSPPEUFVGRH-UHFFFAOYSA-N 380.408 2.586 0 40 GFAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(F)ccc3F)C2=O)c(C)o1 58191167 DDFDRANDDVDJSH-SFHVURJKSA-N 377.347 2.580 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(OC)c(OC)c2)cc1 58167319 HJMBTNFGAADUSQ-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB COc1ccccc1CCCNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 22327254 RKWCCFPGYCNWSJ-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CN1C[C@@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccoc3)CC2)C1 306144533 ZICHJTOGLCTLCG-NRFANRHFSA-N 397.519 2.603 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 3340584 RAIQALRJTFFHHI-NRFANRHFSA-N 379.416 2.685 0 40 GFAB COCCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408702047 AFHUQJCSZPDILN-UHFFFAOYSA-N 397.324 2.692 0 40 GFAB CCn1c(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)nc2ccccc21 10651717 ASSRWXICSLEXJS-UHFFFAOYSA-N 386.477 2.536 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccccc1CN1CCOCC1 12888925 GREYZWOQPGGRKB-UHFFFAOYSA-N 396.487 2.589 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3ccccc3Cl)c2c1 28775428 STDUPEDIMGXJJB-UHFFFAOYSA-N 394.884 2.744 0 40 GFAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCC(n2cncn2)CC1 62581795 RGUFTUYUTWGWEA-HNNXBMFYSA-N 391.884 2.598 0 40 GFAB O=C(Cc1noc2ccccc12)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 12928616 ATOGVTYCJXIIHA-AWEZNQCLSA-N 379.416 2.918 0 40 GFAB O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 306135660 OXBQXWISQVGJQT-UHFFFAOYSA-N 394.523 2.574 0 40 GFAB O=C(NCc1ccncc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5381184 QWBSJDZZYQXSSN-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1cccc(O)c1 6753227 OYXZANINFGJNNO-HXUWFJFHSA-N 379.416 2.988 0 40 GFAB CC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 18223084 ZOSPMJLHZSXAQH-FQEVSTJZSA-N 375.428 2.835 0 40 GFAB CC(=O)NCc1ccc(C(=O)[C@H](C)Sc2nnnn2C2CCCC2)s1 9114749 XLESHTDBZMVFSX-JTQLQIEISA-N 379.511 2.849 0 40 GFAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1S(=O)(=O)N(C)C 15595107 WHQJADSIKLCFDQ-AWEZNQCLSA-N 376.478 2.779 0 40 GFAB NC(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 15567646 PYFALFZVGRTENJ-UHFFFAOYSA-N 398.422 2.796 0 40 GFAB CN1CCN(C(=O)c2ccco2)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306134264 NHGVUAVUKLITCH-QGZVFWFLSA-N 379.464 2.656 0 40 GFAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)cc(OC)c1OC 9109864 WESCNTMHRNNBBR-SNVBAGLBSA-N 391.449 2.652 0 40 GFAB Cn1c([C@@H](NS(=O)(=O)Cc2ccon2)c2ccccc2)nc2ccccc21 84313980 RCMGPLDFCXGBSI-SFHVURJKSA-N 382.445 2.770 0 40 GFAB O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(Cc1ccccc1)CN2 19939338 QATZGMOLNIBCHH-UHFFFAOYSA-N 382.851 2.624 0 40 GFAB O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NCCCO 97403642 MAOQELQODBJURY-UHFFFAOYSA-N 391.265 2.743 0 40 GFAB CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 60212829 LEPGIWRUWBJKPL-UHFFFAOYSA-N 379.503 2.911 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1C 408601213 AMKIXEJEXVYHHE-JKSUJKDBSA-N 390.505 2.938 0 40 GFAB O=C(NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)Nc1ccc2c(c1)CCCC2=O 515997195 GDLIABJMZLBBIQ-RKCGOGRQSA-N 378.472 2.836 0 40 GFAB CC[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 38756288 WBCLPDMPQMZUCV-KRWDZBQOSA-N 382.432 2.998 0 40 GFAB CN(CCCC(=O)NCCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 219721204 MLZPSXWDEWSIIM-UHFFFAOYSA-N 392.496 2.975 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC 33732413 GGDOJYONACYGTF-CQSZACIVSA-N 392.477 2.626 0 40 GFAB CC(=O)N1CCn2c(nnc2[C@@H]2CCCN2Cc2ccnc3ccccc23)C1 72373892 HMCNBVORJWSWHF-IBGZPJMESA-N 376.464 2.526 0 40 GFAB CN(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1 121963235 HYSJCGSIQASNLW-QGZVFWFLSA-N 388.489 2.726 0 40 GFAB COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)c(OC)c1OC 70928714 LFOZYRUCMNHYIF-UHFFFAOYSA-N 385.464 2.754 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 44841206 LJMQGERTHSQFFW-OAHLLOKOSA-N 375.494 2.729 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SCC(=O)OC)s1 223734926 HTIBWNARHPJGBG-LBPRGKRZSA-N 397.478 2.608 0 40 GFAB CCn1ncc(NS(=O)(=O)c2cccc(C(=O)O)c2C)c1C(F)(F)F 410406566 LPTYYZCMOLCBJL-UHFFFAOYSA-N 377.344 2.729 0 40 GFAB Cc1cccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 224396642 VJJOLJCHNIOTKT-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)NC2CCCCC2)CC(=O)N3)cc1 40400543 CJAZTWOVTRHSKT-HNNXBMFYSA-N 395.463 2.697 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COCC(C)C)c2)CC1 224453564 HNJWTYDQXSLHEY-UHFFFAOYSA-N 378.469 2.782 0 40 GFAB Cc1c(CC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cnn1C 577753085 LYLZJCVJJIPKJH-UHFFFAOYSA-N 393.491 2.707 0 40 GFAB COc1ccc(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccc(F)cc34)C2)nn1 96232829 NQLKOGZFCJDGLU-OAHLLOKOSA-N 397.454 2.681 0 40 GFAB Cn1cnc2c1[C@H](C(=O)NCc1cccs1)N(C(=O)c1ccccc1)CC2 96264979 BJUVQISNDUSTAJ-GOSISDBHSA-N 380.473 2.538 0 40 GFAB O=C(c1cccc2ncccc12)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1 96075565 QVELOOZWONSYLM-JPYJTQIMSA-N 395.503 2.578 0 40 GFAB O=C(N[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)[C@@H]1CCOC1 96079076 ARRVTCHOCUNICD-APWZRJJASA-N 378.476 2.612 0 40 GFAB Cc1ccccc1C(=O)N1C[C@@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 96241026 OQNCEWOEPFYFKP-IBGZPJMESA-N 379.460 2.898 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)C)cc2)cc1OC 243034081 IBTDNPUDNDWWSS-UHFFFAOYSA-N 392.477 2.744 0 40 GFAB CCN1CCN(Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257237642 HHKUCXZNMSLVHB-FQEVSTJZSA-N 389.503 2.995 0 40 GFAB CN(C)C(=O)c1sc2nc(C3(C)CCN(c4cnccn4)CC3)ccc2c1N 257310235 UEHXUJCSFKSNTK-UHFFFAOYSA-N 396.520 2.928 0 40 GFAB CC(C)(C)C(=O)N1CCC[C@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1 257274466 NLDZVJKWXNUWFC-INIZCTEOSA-N 397.523 2.710 0 40 GFAB Cn1ccnc1-c1cncc(C[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)n1 257318767 VPGAODOWIVTNAO-ZDUSSCGKSA-N 383.402 2.860 0 40 GFAB O=C(CN1CCCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1 257262186 LKMDXTIMFAUTJK-FIXSFTCYSA-N 399.579 2.536 0 40 GFAB CN1CCN(C(=O)c2cc(C(F)(F)F)cnc2O)C[C@@H]1Cc1ccccc1 635909820 KNYZSDJGPVYUQF-HNNXBMFYSA-N 379.382 2.805 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1 96378512 CWLAQFDAHDKLJG-UHFFFAOYSA-N 393.534 2.814 0 40 GFAB COc1c(C)cc(S(=O)(=O)NC[C@H](OCCO)c2ccc(C)cc2)cc1C 96338073 INYBQHYNYVTIDH-IBGZPJMESA-N 393.505 2.649 0 40 GFAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@H]2Cc4ccccc4O2)C3)n1 575404570 OJNRSQFUNQLKTG-TZIWHRDSSA-N 394.471 2.670 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1CCCN1C(=O)c1ccco1 52527875 YRSMLZDYCHYXHJ-GOSISDBHSA-N 378.432 2.729 0 40 GFAB CCn1cc(C(=O)N2CCC[C@@H](N(C)C(=O)Cc3cc(C)ccc3OC)C2)cn1 1615610378 AVKMZNCZUJXVIE-LJQANCHMSA-N 398.507 2.526 0 40 GFAB Cn1c(=O)c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc2cccnc21 5303450 FWMXGKOZHWWKGU-UHFFFAOYSA-N 382.851 2.549 0 40 GFAB COc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(O)c([S@@](C)=O)c2)cc1 11726814 PAQZZCOZHPGCFW-JIEZPPNFSA-N 377.506 2.783 0 40 GFAB in-man CCc1nn(CC(=O)Nc2c(C)nn(CC)c2C)c(=O)c2cc3ccsc3n12 12154270 IVNMORICCVXJQO-UHFFFAOYSA-N 398.492 2.745 0 40 GFAB COCC(=O)N1CCC(n2c(C3CC3)nc3sc(C)c(C)c3c2=O)CC1 12336909 GMKKRFXCCHNPMQ-UHFFFAOYSA-N 375.494 2.762 0 40 GFAB CCN(CC(=O)Nc1cc(F)ccc1F)CC(=O)Nc1ccccc1OC 13058122 XYTYMLCNBGLCSY-UHFFFAOYSA-N 377.391 2.873 0 40 GFAB COC(=O)c1c(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCCC2 16246842 JDLSIIZPYMLWOH-VZAMPYOESA-N 389.473 2.861 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1c1ccnc2ncnn12 19134313 PBPGTPZGXXORJD-HNNXBMFYSA-N 381.436 2.574 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)c1 19551328 GAOXEKFGQHIOEP-QHCPKHFHSA-N 394.471 2.594 0 40 GFAB Cc1nn(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19557103 SALMJRJVUCBAFB-FQEVSTJZSA-N 396.539 2.730 0 40 GFAB CCc1nnsc1C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145872 YRCMXJDWHQFVEW-GJZGRUSLSA-N 397.504 2.649 0 40 GFAB COc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1 12188440 OVSUEBBKLDVLPJ-OAQYLSRUSA-N 386.467 2.995 0 40 GFAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1onc2c1CCCC2 585149293 GVRDPLALSRZNRC-UHFFFAOYSA-N 395.385 2.761 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccccc1 3600781 ZWUPFQOURWCHBR-NYHFZMIOSA-N 377.444 2.647 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)ncn1 1889149528 AHRPPYCBJBSYRH-UHFFFAOYSA-N 389.385 2.742 0 40 GFAB CS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 20443475 RZXBKCRPPRWABW-UHFFFAOYSA-N 399.396 2.856 0 40 GFAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984976 UDLNSOPLMIQQJE-NRFANRHFSA-N 383.448 2.720 0 40 GFAB COc1ccc(N2C(=O)N(c3cc(C)cc(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4393708 OCLZQFYWBOLKDG-MOPGFXCFSA-N 386.473 2.924 0 40 GFAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NC[C@@H]1CCCO1 8865134 ZMZGZGBEYQZNOH-INIZCTEOSA-N 398.484 2.769 0 40 GFAB O=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccncc3)no2)CC1 12415384 XZHKLMITPKYXBS-UHFFFAOYSA-N 376.463 2.761 0 40 GFAB O=C(NCCCc1ccccc1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582794 ZKZHNSSTERKTLX-UHFFFAOYSA-N 390.487 2.889 0 40 GFAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575612764 MNUVRQCBMPCFQJ-QGZVFWFLSA-N 383.839 2.668 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)cc1 9828573 IFVLGUNCIIHSNG-UHFFFAOYSA-N 391.474 2.704 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)CCOc2ccccc21 39983215 OKZGJRGZGYCCKQ-UHFFFAOYSA-N 398.459 2.868 0 40 GFAB O=C(c1ccc(Cl)s1)N1CCN(c2ncc(Br)cn2)CC1 40094473 BAAZKFPWDUAQAA-UHFFFAOYSA-N 387.690 2.916 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc(N2CCCCC2)nc1 40120891 YPUNQWGUJSQJNI-UHFFFAOYSA-N 377.452 2.974 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)NCc1cccnc1OC1CCCC1 40134104 JCVDJVQOVPGYLZ-UHFFFAOYSA-N 380.510 2.767 0 40 GFAB CNC(=O)c1cccc(CNC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 30851063 IYFCILXPKSFGBF-UHFFFAOYSA-N 377.448 2.680 0 40 GFAB COc1ccc(CNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 30984569 CNUIRHLDRXZNIY-UHFFFAOYSA-N 396.447 2.823 0 40 GFAB CC[C@@H](C)n1c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S 100747929 HHYFLAYINTXGAI-QLJPJBMISA-N 391.493 2.835 0 40 GFAB biogenic CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(F)c(F)c3)cc(C3CC3)nc21 32059710 QGXCAQXCMIYFRU-UHFFFAOYSA-N 386.358 2.513 0 40 GFAB O=C(Cc1cccs1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 46145253 UFCULZYQTFERHW-UHFFFAOYSA-N 398.937 2.914 0 40 GFAB COc1ccc([C@@H](CNC(=O)COc2ccccc2OC)N(C)C)cc1OC 2626562 CJMDFGCJUDSLRG-MRXNPFEDSA-N 388.464 2.510 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(NC(=O)[C@@H](C)Oc3ccc(C)cc3)C(=O)[C@@H]21 102217380 DFFRHIGGYFKYAY-NFBPCRFFSA-N 382.460 2.771 0 40 GFAB C[C@H](OC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C(=O)NC1CC1 21543568 OLPUIZNMKMUMCN-ORAYPTAESA-N 379.412 2.965 0 40 GFAB O=c1c2cnc(NCc3cc(F)cc(F)c3)nc2nc(O)n1Cc1ccccc1 77100705 RIWNAZKWRWAWLP-UHFFFAOYSA-N 395.369 2.831 0 40 GFAB Cc1nc(C)c(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)s1 79052796 YWGWDDHYQJXRHB-UHFFFAOYSA-N 378.479 2.873 0 40 GFAB O=C(CCSc1nc2ccccc2c(=O)n1CCCO)NC1CCCCC1 32870979 WRJBUPLMZQMPKA-UHFFFAOYSA-N 389.521 2.710 0 40 GFAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(CCc2ccccc2)CC1 32809805 OTGISUXQKLYFGH-LJQANCHMSA-N 394.537 2.604 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CC[C@H](C)C3)NC(=O)N[C@H]1C 4885813 GDLJWBMGRDZQTR-QWRGUYRKSA-N 392.477 2.548 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(OC)ccc1OC)CC(=O)N2 4944327 AQPWWIPTMSORIX-LBPRGKRZSA-N 375.450 2.763 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6274298 UVOMMVKOUXEDGV-CYBMUJFWSA-N 388.917 2.808 0 40 GFAB COc1cccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2)c1 8091796 WVKCOTSBJXLJKF-UHFFFAOYSA-N 399.516 2.636 0 40 GFAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N1CCOCC1 8767664 KPVXJAIIGBESSS-SNVBAGLBSA-N 398.282 2.839 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)cc1 800605 BSDSPHYGCJOSSR-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccccc3)CC2)c1C 23468228 BHPKCEBMYMPSRR-QGZVFWFLSA-N 383.492 2.807 0 40 GFAB C[C@@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)c(F)c1 23548341 SCPWEBNBDOFKQL-GFCCVEGCSA-N 379.407 2.787 0 40 GFAB CN(c1ccccc1C(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 55427550 HURKPMQCBYKWQE-UHFFFAOYSA-N 382.869 2.545 0 40 GFAB Cc1cc(C)n2c(S[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)nnc2n1 102242785 YTJHZNLEURNTNK-ZDUSSCGKSA-N 387.852 2.819 0 40 GFAB O=C(c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)N1CCOCC1 55620245 LUIZLZXMPCKLHL-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc3ccccc3s2)cc1NC(C)=O 25873937 UCUIIPYQEBXSPB-UHFFFAOYSA-N 391.474 2.742 0 40 GFAB CN(C)CCCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2C 57531505 RGKCXZZODZCKJJ-MRXNPFEDSA-N 397.306 2.738 0 40 GFAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCN(C(=O)c2ccco2)CC1 57544498 ZLROZWNQDOCLDA-UHFFFAOYSA-N 396.447 2.926 0 40 GFAB C[C@H]1CCc2nc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)sc2C1 57741711 MWDWDBZDPGKLDF-LBPRGKRZSA-N 390.509 2.851 0 40 GFAB CC[C@@](C)(CNC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)N1CCOCC1 58023018 XERDJHNQNNSVDM-FPOVZHCZSA-N 391.512 2.867 0 40 GFAB COc1ccc(OCCOC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 3384314 YFWQOMWFIXPAFZ-UHFFFAOYSA-N 384.837 2.988 0 40 GFAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1Cl 10253943 XJAAWTAXBAKUTP-UHFFFAOYSA-N 377.780 2.965 0 40 GFAB CCCC[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2122665 JMXPRJWOPQRDJO-AWEZNQCLSA-N 375.421 2.721 0 40 GFAB biogenic COc1ccc(CCNC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 3339239 XTKDYJOWYHOLML-INIZCTEOSA-N 395.459 2.520 0 40 GFAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)n2)cc1C 12796837 HUAUUUMVBLPLKO-HNNXBMFYSA-N 379.507 2.789 0 40 GFAB COc1ccccc1NC(=O)Cc1noc(CN(C)Cc2cnc(C)s2)n1 48324161 YNBMAJYCKYHORZ-UHFFFAOYSA-N 387.465 2.656 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 48359198 HJCSOAWMGJHSTH-CALCHBBNSA-N 398.551 2.895 0 40 GFAB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cn2nc3ccccn3c2=S)C1 12869237 QYUSMFCUSGIPFZ-CYBMUJFWSA-N 394.547 2.574 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 12802210 OCLSQTMXFKNTRE-SJORKVTESA-N 397.562 2.590 0 40 GFAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(C(=O)c2ccccc2)cc1 3489265 RZFDHFPEOOOYEJ-UHFFFAOYSA-N 385.379 2.837 0 40 GFAB COc1ccc(CCNC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1OC 22235163 VZQMTEKOWPRSFG-UHFFFAOYSA-N 392.455 2.937 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](NCCOC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4180835 UUZFEIBXGQTRAZ-LZGZYFLISA-N 398.503 2.902 0 40 GFAB C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)NC3CC3)n2Cc2ccco2)C1 8752544 GDBDQPDGISWGNF-KBPBESRZSA-N 389.525 2.772 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)ccc21 18203556 JCGXPIVJFJYBRS-LBPRGKRZSA-N 377.400 2.947 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)COc2cc(C)cc(C)c2)cc1 6025934 KBNVLEOWYDBMSI-UHFFFAOYSA-N 398.459 2.631 0 40 GFAB Sc1nnc(-c2ccccc2Br)n1CCCN1CCOCC1 13733048 AZGQLACIHGVMOC-UHFFFAOYSA-N 383.315 2.719 0 40 GFAB COc1cc(CCC(=O)OCC(=O)NCC2CCCCC2)cc(OC)c1OC 6229780 VZQPPNJLSWMQIB-UHFFFAOYSA-N 393.480 2.885 0 40 GFAB COc1cccc(NC(=O)CN(C)CCS(=O)(=O)c2cc(C)ccc2C)c1 13985943 LOASCPMLRHOKMS-UHFFFAOYSA-N 390.505 2.656 0 40 GFAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nc(N)nc(N)n2)cc1 13986565 RVXTVHSXCDPRJS-UHFFFAOYSA-N 382.449 2.868 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 6370699 NYBXNSYZDMVUSG-UHFFFAOYSA-N 381.388 2.925 0 40 GFAB Cc1nnc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)s1 5399829 PRAATPIRLIUDIS-UHFFFAOYSA-N 377.429 2.862 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 14113589 FPHVPMGHLDJTRY-IBGZPJMESA-N 381.476 2.934 0 40 GFAB Cc1csc(=O)n1CCOC(=O)c1ccc(NC(=O)c2ccco2)s1 14233945 YQECSYNBEJJMIM-UHFFFAOYSA-N 378.431 2.982 0 40 GFAB NC(=O)C1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 6580871 WWCIISUAFYJUKJ-UHFFFAOYSA-N 396.104 2.611 0 40 GFAB Cc1cc(O)c(C2=Nc3c(C(N)=O)cnn3[C@@H](c3cccc(Cl)c3)C2)c(=O)o1 6661575 DLEPIQPUAUKDRO-CQSZACIVSA-N 398.806 2.717 0 40 GFAB Cc1c(OCC(=O)NC[C@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 6659953 CVJBZVUFGDEUKB-IBGZPJMESA-N 393.439 2.819 0 40 GFAB NC(=O)COc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 66686803 OQVXPOZRASXBAK-KRWDZBQOSA-N 392.814 2.557 0 40 GFAB Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(Cc3ccccc3Cl)C1)CSC2 71283508 FDZOUJMFYFKEGH-LBPRGKRZSA-N 390.896 2.808 0 40 GFAB NC(=O)c1ccccc1OS(=O)(=O)c1ccc(Br)cc1Cl 16094587 OYWGWKOFYOAUAL-UHFFFAOYSA-N 390.642 2.969 0 40 GFAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 8071393 CCSLIJNWBRNEMD-UHFFFAOYSA-N 395.459 2.888 0 40 GFAB Cc1c(NCc2nnnn2-c2ccccc2)cccc1C(=O)N1CCSCC1 70040635 VXVZOSLIRRCXJO-UHFFFAOYSA-N 394.504 2.772 0 40 GFAB CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 9376833 KTGXVUOUUSLQCD-GJZGRUSLSA-N 396.509 2.920 0 40 GFAB Cc1cc(S(=O)(=O)NCCCN2CCCCCC2)ccc1N1CCCC1=O 20457906 JSNXOFDWZYGDEP-UHFFFAOYSA-N 393.553 2.666 0 40 GFAB CCNC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 409063123 HIKZJRVFQWFULJ-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB CCCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233373 ULBRKEXTDNVNSI-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB COc1ccc(-n2nnc(C(=O)NCc3ccco3)c2-c2cccnc2)cc1 38487702 GPFGONBNFBEAOB-UHFFFAOYSA-N 375.388 2.861 0 40 GFAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 408622366 PAMINNYUIUGWRC-UHFFFAOYSA-N 385.445 2.933 0 40 GFAB Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3ccncc3)CC2)cc1 306143832 YNSFIXXYPLUECO-UHFFFAOYSA-N 387.487 2.946 0 40 GFAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218110223 KXIVXQSPCJRQCT-ACRUOGEOSA-N 389.517 2.925 0 40 GFAB Cc1nc(=NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)s[nH]1 526052297 UAJOTUUOXVDKKK-UHFFFAOYSA-N 383.838 2.600 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1C 408625666 TXNQTZQCBZJSDX-AWEZNQCLSA-N 392.477 2.708 0 40 GFAB CCN(CC)C(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(C)C)c(OC)c1 36612714 PIECIHLZJJJHGW-SFHVURJKSA-N 375.469 2.979 0 40 GFAB CCCCN(CC)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 72329650 VCXNLXGFHCKLSS-UHFFFAOYSA-N 383.452 2.712 0 40 GFAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@H](c1ccccc1)n1cnnn1 44902637 PNHKRRHSWYEVDU-KRWDZBQOSA-N 391.460 2.538 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@](O)(c4ccco4)[C@@H]3C2)cc1 72343133 JLMLRTBMMMMPRS-LSBZLQRGSA-N 377.462 2.597 0 40 GFAB COc1cc2c(cc1CNC(=O)c1ccc3c(c1)OCCCO3)OCCCO2 46077851 AHHMMIWRRJVFSG-UHFFFAOYSA-N 385.416 2.948 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc3ccccc3c2)ccc1OC 222785378 MANJOYNUVKDOGY-UHFFFAOYSA-N 384.457 2.687 0 40 GFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220145528 JSDURYVTONCKLI-INIZCTEOSA-N 390.505 2.865 0 40 GFAB COc1ccc([C@@H](CC(=O)NC2CCCCCCC2)NS(C)(=O)=O)cc1 225957641 KCXREHUDDDSGMZ-GOSISDBHSA-N 382.526 2.905 0 40 GFAB O=C(Cn1cc(-c2nc(-c3cccs3)no2)ccc1=O)NCc1ccco1 77100674 DXIRQRMGJHLSBN-UHFFFAOYSA-N 382.401 2.536 0 40 GFAB COc1ccc(NC(=O)CCNC(=O)c2nc(SC)ncc2Cl)cc1 41156264 OCVBJTFGMQZRNH-UHFFFAOYSA-N 380.857 2.619 0 40 GFAB CN1CCN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)CC1 223969202 GNMNFGOBJUJHDS-UHFFFAOYSA-N 387.528 2.892 0 40 GFAB CC(C)[C@H]1N(C(=O)NCc2ccccc2S(N)(=O)=O)CC12CCCCC2 572118767 ASHQZRIKGZYTEE-QGZVFWFLSA-N 379.526 2.834 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225324764 YPQBKQGJQBPQMF-UHFFFAOYSA-N 380.441 2.543 0 40 GFAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3scnc3C)CC2)n[nH]c1=O 225549857 ZAMZTAIPAGPBGS-UHFFFAOYSA-N 397.504 2.729 0 40 GFAB O=c1cc(-c2ccccn2)nc(-c2cccc(CN3CCN4CCC[C@@H]4C3)c2)[nH]1 23231421 HXLRTCCJGKKNSV-LJQANCHMSA-N 387.487 2.779 0 40 GFAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc(Cl)c1 96520807 OQUAJKCBUZFWKD-QMMMGPOBSA-N 392.496 2.862 0 40 GFAB O=C1CO[C@]2(COCCN(Cc3cccs3)C2)CN1c1ccc(F)cc1 96051295 STHCTFHDARZHHX-IBGZPJMESA-N 376.453 2.522 0 40 GFAB COc1ccccc1CC(=O)N1CCC(N2CCc3ccccc3C2=O)CC1 257325251 WSCJVWNQGLXPPZ-UHFFFAOYSA-N 378.472 2.927 0 40 GFAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc1C 257212389 CDFRTZQQDPYRGF-IBGZPJMESA-N 394.519 2.721 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 260828194 MNZJUSUFFPHZGL-RXVVDRJESA-N 394.471 2.866 0 40 GFAB O=C(Cc1ccccc1OC(F)F)N[C@H]1CS(=O)(=O)Cc2ccccc21 623002547 WUBGXRTYRWYFNC-HNNXBMFYSA-N 381.400 2.616 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](Oc3cc(C)nc(C)n3)C2)c1 575609553 MYYQIVXFRMBPAX-QGZVFWFLSA-N 375.494 2.942 0 40 GFAB O=C([C@H]1COc2ccccc2C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414613 CPPVRXQQLYDMEI-CRAIPNDOSA-N 391.514 2.688 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 585107290 JPBMLYCKKYUBGV-QFBILLFUSA-N 380.410 2.865 0 40 GFAB Cc1cc(CN2C(=O)CC3(CCN(Cc4cccnc4)CC3)n3nccc32)no1 1772596606 YKCNIDZVBLMOCB-UHFFFAOYSA-N 392.463 2.503 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)COc1ccc(-c3nnco3)cc1)OCO2 5209395 UZIIHMFSGBQSGU-UHFFFAOYSA-N 381.344 2.685 0 40 GFAB O=C1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2N1 5824866 ZKRVIRXIUFVXEN-UHFFFAOYSA-N 378.215 2.709 0 40 GFAB CC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccccc1)S(C)(=O)=O 13711804 SLSKTMPZOLHVMU-MRXNPFEDSA-N 376.434 2.568 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1 15177301 ONZODYBFVSLJEO-UHFFFAOYSA-N 382.526 2.843 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 16085333 MEYXQZNVGAPIEB-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB COc1ccc(Cc2ccc([C@@H]3CN(Cc4ccnn4C)CCO3)nc2)cc1 19692379 RIMKSTIAKMVYDQ-QFIPXVFZSA-N 378.476 2.988 0 40 GFAB Cc1c(CN2CCC(c3ccc(C(=O)NC4CCCC4)c(N)n3)CC2)cnn1C 19765953 LDTGHTRBCUFTHH-UHFFFAOYSA-N 396.539 2.758 0 40 GFAB COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1O 1567742 ORVDDIQJHWRRLN-QPEQYQDCSA-N 385.372 2.771 0 40 GFAB Cn1c(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)nc2cccnc21 1889217917 SJCZIULGYONVGF-UHFFFAOYSA-N 392.438 2.734 0 40 GFAB Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3cc(F)ccc3F)cc2)cn1 1889272310 QOJCHQSSWOFCKB-UHFFFAOYSA-N 384.386 2.663 0 40 GFAB Cc1ncnc(OCC2CCN(C(=O)C[C@H]3COc4ccccc4O3)CC2)c1C 1776001382 PYRNUIXMKGVBJQ-SFHVURJKSA-N 397.475 2.941 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)NCCc1ccccc1 5168354 JPEYUUBSFAEBQT-UHFFFAOYSA-N 390.472 2.637 0 40 GFAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 10511664 HXWHGLMXPHOTGD-UHFFFAOYSA-N 381.475 2.525 0 40 GFAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(CC1CCCCC1)C2 2055812505 CSOXSMVDTNJDNA-HXUWFJFHSA-N 375.538 2.968 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 101079198 FUJPIRIZVBWKNT-GFCCVEGCSA-N 399.472 2.842 0 40 GFAB CCCNC(=O)Cn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2ccc(C)nc21 49002121 LILDDIZEEMQKIO-UHFFFAOYSA-N 392.459 2.792 0 40 GFAB Cc1nccc(O[C@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)n1 575610882 ZKNMLBUVXUAMGQ-IBGZPJMESA-N 377.448 2.713 0 40 GFAB Cc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1 1572998 NISZMWZPLJGKCC-UHFFFAOYSA-N 382.397 2.778 0 40 GFAB in-vitro CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2NC(=O)OCc1ccccc1 91302718 ROSWONCVGVZYHQ-SJPCQFCGSA-N 376.453 2.795 0 40 GFAB in-vitro Cc1cccc(C(=O)N[C@@H]2C[C@@H](c3nc(C)nn3-c3cccnc3)CC[C@H]2O)c1 2332241676 UWTJQAKGAIOWML-PWIZWCRZSA-N 391.475 2.706 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCCN(Cc2ccccc2)C1 50026659 XKGJWDYLFMYGMF-HXUWFJFHSA-N 375.476 2.796 0 40 GFAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40287734 LIHGHEMEPMIRGL-CQSZACIVSA-N 375.388 2.578 0 40 GFAB CCOC(=O)C1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 29502307 NIHYIRNBMLTWNY-UHFFFAOYSA-N 383.242 2.590 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 800427 SHVLPUZIAKPXJF-INIZCTEOSA-N 396.443 2.847 0 40 GFAB O=C(CCn1nnc2ccccc21)Nc1nnc(-c2ccc3c(c2)OCO3)s1 897726 FUCUHHJTLWGLLA-UHFFFAOYSA-N 394.416 2.707 0 40 GFAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 2651179 FRBOYGPMZRDBOL-UHFFFAOYSA-N 378.384 2.743 0 40 GFAB CN(C)C(=O)N1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 29924728 AFFHAMTZZYSQGT-UHFFFAOYSA-N 393.702 2.885 0 40 GFAB Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)o1 78934805 HPJIFLPFIUVSHM-KRWDZBQOSA-N 396.472 2.803 0 40 GFAB CC[C@@H]1CCc2nc(NC(=O)c3ccccc3CN3C(=O)CNC3=O)sc2C1 46783561 QSSDZEQPHHAHEA-GFCCVEGCSA-N 398.488 2.962 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@H](C)NC(=O)c1cccs1)O[C@H](C)C2 32869201 SQFYRAILDQLCOQ-OLZOCXBDSA-N 388.489 2.905 0 40 GFAB CCCNC(=O)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 7061401 MKRDIUGIOQIFHM-UHFFFAOYSA-N 381.388 2.887 0 40 GFAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCN(Cc3cccs3)CC2)C1=O 102701025 UJLSTPPGLHDVLD-GOSISDBHSA-N 383.517 2.815 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 103103263 HJQOTVUSESHSGJ-IYBDPMFKSA-N 380.448 2.603 0 40 GFAB COc1ccccc1[C@@H](NC(=O)CN1CCc2sccc2C1)c1nccn1C 69987249 IODAFQPEXZAUSZ-HXUWFJFHSA-N 396.516 2.754 0 40 GFAB CC(C)[C@H](CNC(=O)c1occc1COc1ccccc1)N1CCN(C)CC1 42580796 YQQQAMCLWQOTKF-FQEVSTJZSA-N 385.508 2.860 0 40 GFAB Cc1ccc(-c2nc(C(=O)N3CCN(Cc4nccn4C)CC3)cs2)cc1 106031953 YBZPZJRKTVLWQJ-UHFFFAOYSA-N 381.505 2.810 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)OCc2ccc(Br)cc2)c1 3302389 YGGIYVCDSXPSNY-UHFFFAOYSA-N 384.251 2.714 0 40 GFAB Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c1C 26912211 ZUSBHGIVRSKVMP-UHFFFAOYSA-N 390.484 2.504 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 12754985 RJLAHDLEPLGKKR-IBGZPJMESA-N 393.487 2.661 0 40 GFAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1 2070084 RBODLHJZFOXPFE-UHFFFAOYSA-N 377.487 2.770 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(F)cc1 22606227 BVRQAVNVYBZHQX-GFCCVEGCSA-N 380.441 2.721 0 40 GFAB O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCC[C@H](O)C(F)(F)F 72288831 UYZCQJSRYKMLKR-ZDUSSCGKSA-N 388.367 2.511 0 40 GFAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H](C(F)(F)F)C1 10286973 RLFRHKBWSZCKDR-AWEZNQCLSA-N 390.427 2.886 0 40 GFAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)NC(=O)NCc1ccccc1 12778499 YLKGRWLQGSMNDH-UHFFFAOYSA-N 393.487 2.997 0 40 GFAB COC(=O)[C@H](C)OC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 12789178 IQVRVRXSXZTEGC-AWEZNQCLSA-N 391.445 2.538 0 40 GFAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1 12874874 DCWCUQPXBWSJSM-AVRDEDQJSA-N 382.460 2.846 0 40 GFAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)C[C@@H](C)O1 3485836 AXEXWHZDQAYIER-VXGBXAGGSA-N 380.901 2.863 0 40 GFAB CCOC(=O)C1=C(CSc2nc(C)c(C)n2C2CCCC2)NC(=O)NC1 8705829 QKDJSMQTAYYVRL-UHFFFAOYSA-N 378.498 2.837 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)nc1 6083789 QRPVYHHTCNFMSU-SFHVURJKSA-N 376.526 2.827 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4cccc(C)c4)[C@H]3C2=O)cc1 17837627 XJBNOZBZSXDAQZ-UYAOXDASSA-N 391.427 2.717 0 40 GFAB O=C(CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1)NC1CC1 14198383 YYXBVDONOTXYTB-UHFFFAOYSA-N 387.486 2.770 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)N(Cc1ccccc1)CC(F)(F)F 8728323 LZOQDOJSPOJFFA-UHFFFAOYSA-N 375.350 2.988 0 40 GFAB Cc1c(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 6553254 MYKJKMRDNAVELI-KRWDZBQOSA-N 377.400 2.725 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cncn1-c1ccccc1 6647682 CQJDLKYOLHYJIY-UHFFFAOYSA-N 396.472 2.909 0 40 GFAB Cc1nnc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)s1 4814871 OKHUFLXLXUXUGP-JTQLQIEISA-N 390.494 2.846 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2cccnc2)cc1 6830866 WQWIOQOROFCNOY-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCOc1ccccc1C 5974169 AXYXBMSLKGWTGJ-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc2c(c1)OCO2 15370042 SJCAGGOUXSOVBJ-AWEZNQCLSA-N 381.432 2.611 0 40 GFAB Cc1cnc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cn1 7007479 YJCNFSZURFFRTO-UHFFFAOYSA-N 388.493 2.910 0 40 GFAB COc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 15509718 CHCPQDXNCVSGNE-ZIAGYGMSSA-N 383.448 2.728 0 40 GFAB Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc(C)c1C 7253608 SYLUJQIYIVANAO-UHFFFAOYSA-N 398.410 2.666 0 40 GFAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC1CCC2(CC1)OCCO2 67734971 VXBVUBPDLUYBPB-LJQANCHMSA-N 387.524 2.884 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1 7312711 FRFLRNOSSFOYSV-INIZCTEOSA-N 394.880 2.746 0 40 GFAB CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 7544687 VQWQZOCYVRTOFG-SNVBAGLBSA-N 390.939 2.687 0 40 GFAB COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc(OC)c1 9690778 JLBQYKUWDQFUKX-UHFFFAOYSA-N 391.474 2.743 0 40 GFAB CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@@H](C)CCc2ccccc2)CC1 9805407 ZGVHGHOZXRGPRN-KRWDZBQOSA-N 388.508 2.706 0 40 GFAB Cc1ncsc1CN1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306132736 LQORPFSXRMOYIO-HUUCEWRRSA-N 394.504 2.600 0 40 GFAB COc1ccc(-c2[nH]nc(C)c2CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 95477139 FTKOYKACQUZVOS-UHFFFAOYSA-N 389.419 2.551 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 89644259 RVINVIZBDMDHES-KRWDZBQOSA-N 383.839 2.736 0 40 GFAB O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1ccccc1Br 36723257 XIICTYPHHBOTAP-UHFFFAOYSA-N 398.278 2.741 0 40 GFAB CCC(CC)NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 32825524 HMEYZQJSZPYIBE-UHFFFAOYSA-N 385.430 2.768 0 40 GFAB CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4ccc(F)c(-n5nnnc5C5CC5)c4)[C@@H]1[C@H]3C2 554266908 YMMPZQSATCWUPM-GVSKICRLSA-N 398.442 2.566 0 40 GFAB CCSc1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219669615 SSTVLQIMQCYJOY-UHFFFAOYSA-N 390.486 2.972 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 555991845 GJDSKWOTTHQOSS-UHFFFAOYSA-N 396.451 2.756 0 40 GFAB CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@@]2(CCOC2)O1 564775266 UTUGZJHCYBMYOH-LJQANCHMSA-N 381.856 2.911 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccnc1 47157247 KUMCHEPKUCMNKQ-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)CN3CCOCC3)n2)cc1 72358027 UDDOKSUWKFEUDF-JOCHJYFZSA-N 379.504 2.977 0 40 GFAB COc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1S(=O)(=O)N(C)C 222911418 KNEUXYSWCUJAJC-UHFFFAOYSA-N 376.478 2.839 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Br)cc2F)cc1 42645958 ALVMKABYWPKOSJ-UHFFFAOYSA-N 395.228 2.894 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1NC(C)=O 222787960 IWTZNJYKSIIKPO-UHFFFAOYSA-N 399.582 2.767 0 40 GFAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2cccc3[nH]ccc23)C1=O 96221468 YTGCNWLGBRMVEX-KRWDZBQOSA-N 392.415 2.626 0 40 GFAB biogenic COCCO[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)[C@H]1Cc1ccccc1 96261307 MZCLWPSWSMENKK-VQTJNVASSA-N 393.480 2.863 0 40 GFAB Cc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1nccs1 97491744 VHPRVDZUASNOIS-UHFFFAOYSA-N 389.502 2.884 0 40 GFAB CC(C)c1nc2ccccc2n1CCNC(=O)[C@H](c1ccccc1)n1cnnn1 96117974 ILPDVFZIGLQPSG-IBGZPJMESA-N 389.463 2.552 0 40 GFAB Cc1ccc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)o1 96038295 ZBSQMGKWRZZNGT-UHFFFAOYSA-N 381.480 2.847 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N[C@H](C)Cn2nc3c(C)cc4ccccc4n3c2=O)C1 257366567 VZBTWOYGTMIHFI-KBAYOESNSA-N 396.491 2.668 0 40 GFAB COc1ccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c(OC)c1 257211990 CBLHTKKXFZYGSQ-SHTZXODSSA-N 395.463 2.845 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)cc(-c4cccnc4)n3)C2)CC1 257235325 GXIPKSOFAANGCW-XIRDDKMYSA-N 382.464 2.765 0 40 GFAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C(=O)c2cccnc2)CC1 257313892 UUOLJGQYRXKDDK-UHFFFAOYSA-N 395.488 2.808 0 40 GFAB O=C(NCCCn1ccnc1-c1ccccc1)C(=O)NCc1ccc(F)cc1 90583455 QZJAQEZBRAVSRU-UHFFFAOYSA-N 380.423 2.512 0 40 GFAB COc1ccc(Br)c(C(=O)NC[C@H](O)c2ccc(N(C)C)cc2)c1 90611821 IFBGWXXEKRMQCV-KRWDZBQOSA-N 393.281 2.987 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604405981 VXGOFTXJXVFISD-CABCVRRESA-N 381.432 2.661 0 40 GFAB biogenic CC[C@H](C)[C@@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cnnn1 604418932 RSYJGTRUMYZKGJ-SGTLLEGYSA-N 386.431 2.947 0 40 GFAB CSc1ccc(CN2CCCN(C)CCN(C)CCCN(C)CC2)cc1 68604334 BGFMBTLFIVBEIK-UHFFFAOYSA-N 378.630 2.800 0 40 GFAB biogenic Cc1ccc2cccc(C(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)c2n1 96104280 SDOMQTHPVQGSDR-UHFFFAOYSA-N 384.432 2.981 0 40 GFAB C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N(C)CC2=CCCOC2)C1=O 585099552 VUWUPPWOWOZUTM-HNAYVOBHSA-N 389.471 2.866 0 40 GFAB CN(C)CCOc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cc1 585262248 WNTOIKNHDKQZSS-GMAHTHKFSA-N 398.503 2.672 0 40 GFAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCN(C)c4cc(Cl)ccc43)cc12 585123490 QEJSOKFIMSZYJW-UHFFFAOYSA-N 391.884 2.575 0 40 GFAB Cc1cnc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/c2cnc[nH]2)s1 585292163 XLZDDRDUGHWKAK-ISZGNANSSA-N 381.465 3.085 0 40 GFAB O=C(NCc1cccc(NC(=O)C2CCC2)c1)N[C@@H]1c2ccccc2C[C@@H]1O 57004345 GNTDEOMXSAEEIX-VQTJNVASSA-N 379.460 2.883 0 40 GFAB O=C(CNC(=O)c1cccs1)Nc1ccccc1I 3334562 KDKACYVVPTWNAP-UHFFFAOYSA-N 386.214 2.721 0 40 GFAB NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 5151557 QFOXTOKYSNBSMH-UHFFFAOYSA-N 383.770 2.667 0 40 GFAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 5878359 HNEUXXCCXLJKJJ-LLVKDONJSA-N 394.518 2.781 0 40 GFAB Cc1nc(C)c(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)s1 12326172 HUJNQTMSCCCNMS-UHFFFAOYSA-N 377.485 2.612 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)s1 12527136 XMEKJAPCGIUQNH-UHFFFAOYSA-N 393.896 2.949 0 40 GFAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)c2ccc(C)cc2)C3)C1 19136218 HMWKMTNOEPRJLJ-VQIMIIECSA-N 392.503 2.809 0 40 GFAB COc1ccccc1CN1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1 19445943 RQSJSDXNYDMBSK-IBGZPJMESA-N 386.544 2.952 0 40 GFAB COCc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 19594389 SGBCGEBBULCVRR-SFHVURJKSA-N 390.443 2.608 0 40 GFAB Cc1cccc(N(C)CCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 19655202 OWNRRRGJSBLMLR-UHFFFAOYSA-N 387.505 3.000 0 40 GFAB Cc1cc(O)n2nc(C3CCN(C(=O)CCc4cc(Cl)no4)CC3)cc2n1 12134126 BLQQSGYFLAUDIL-UHFFFAOYSA-N 389.843 2.724 0 40 GFAB COc1ccccc1C1(C(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)CC1 1888941750 QGJDMXYPIXJLQD-IBGZPJMESA-N 377.444 2.762 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Oc2ccccc2F)cc1 25427286 JBATXNZLTOHXTG-UHFFFAOYSA-N 377.315 2.886 0 40 GFAB COc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037989054 STGSYNJBYLWTBN-OAQYLSRUSA-N 385.439 2.627 0 40 GFAB Cc1nc(C)c(CN2CCO[C@]3(CO[C@@H](C(=O)NC4CCCCC4)C3)C2)s1 2056226608 WEESFXZYZYLPAW-XLIONFOSSA-N 393.553 2.569 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 4373700 FYUIMZDASMWZHX-AWEZNQCLSA-N 383.404 2.741 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1OC 5375498 VDCJCJMVWPUAKB-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1Cc1ccc(F)cc1 9038397 HWPPIFSAGYGJAI-AWEZNQCLSA-N 396.871 2.806 0 40 GFAB COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 9040667 FFLRFPNTZLTOHM-ZDUSSCGKSA-N 383.404 2.599 0 40 GFAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 9828233 JWFVXOPWRBBWNZ-UHFFFAOYSA-N 388.445 2.558 0 40 GFAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1C[C@H]1CCCO1)Nc1ccccc1F 101113819 LVJHOPHLMGBOCF-LERTYJLISA-N 382.395 2.781 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1C 211095814 NNUNAYGQTNRPRA-UHFFFAOYSA-N 390.509 2.571 0 40 GFAB O=C(NCc1nc(-c2ccnc(O)c2)no1)c1cc(Br)cs1 575617588 UZRHSLVJJSZQCV-UHFFFAOYSA-N 381.211 2.591 0 40 GFAB C[C@H](C(=O)N1CCc2nc3ncc(Br)cc3cc2C1)n1cccn1 2298075469 HRIBAWWCFNXMON-LLVKDONJSA-N 386.253 2.735 0 40 GFAB O=C(CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1ccccc1F 2298115922 SQTVXFQOOXLJTI-AWEZNQCLSA-N 383.414 2.734 0 40 GFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2ccccn2)CC1 40012284 HEGRQDXHZTVMLV-UHFFFAOYSA-N 385.411 2.607 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COCC(F)(F)F)cc2)C1 40130138 XYQWPOWHOVNBTK-GFCCVEGCSA-N 394.415 2.625 0 40 GFAB COc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1S(=O)(=O)N(C)C 40114893 OMWRVFGCBUHHOJ-UHFFFAOYSA-N 384.404 2.676 0 40 GFAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116779 SOUQEFWHOSDMPN-QGZVFWFLSA-N 385.386 2.777 0 40 GFAB CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 101839051 MJRDMMBCSMTVRI-GOSISDBHSA-N 389.471 2.794 0 40 GFAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)N1CCOCC1 46269771 JHADPVDOMHHMMO-LLVKDONJSA-N 381.835 2.893 0 40 GFAB C[C@@H]1CCc2[nH]c3c(C(=O)OCCN4C(=O)NC(C)(C)C4=O)cccc3c2C1 46331433 LZRQPIZVTHFKTP-GFCCVEGCSA-N 383.448 2.780 0 40 GFAB COc1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1OC 2647257 WVSFDNZPWGOGLR-OAHLLOKOSA-N 377.466 2.516 0 40 GFAB CSc1ncccc1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 32721784 HOIUPVNHKQMBAT-LBPRGKRZSA-N 382.532 2.695 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)n2C)s1 906901 TZUDBFSOMYZOQA-UHFFFAOYSA-N 390.494 2.635 0 40 GFAB Cc1cccc2c(=O)n(CCCC(=O)NCCOc3ccccc3F)cnc12 32845777 NANBCDMDDFKPND-UHFFFAOYSA-N 383.423 2.819 0 40 GFAB CCCN(CCO)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 32802730 FXEUOLNPXVIWNG-FQEVSTJZSA-N 384.476 2.755 0 40 GFAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC[C@H](C)C1)OCO3 2225075 HLWJOWVKCWAFDA-LBPRGKRZSA-N 387.436 2.744 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)CC1 21741187 PWTHUTOGNAIQNU-JTQLQIEISA-N 388.324 2.681 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1c[nH]c(=O)cn1 32932520 YTIBCTSMSIQPLI-UHFFFAOYSA-N 385.855 2.557 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 4888728 HANPGAUDEIQFGU-UHFFFAOYSA-N 376.453 2.717 0 40 GFAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 8298728 OFNIOSJUZRLBFG-UIFIKXQLSA-N 399.514 2.787 0 40 GFAB biogenic,in-vitro Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(Cl)cc2)cc1 8559845 BNBNPDQIZSHHMJ-QGZVFWFLSA-N 385.851 2.618 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 22534712 BUXNIKWQGYRHGQ-GJZGRUSLSA-N 376.478 2.727 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 104673193 PZPJXICRSYQOCH-QZWWFDLISA-N 397.475 2.857 0 40 GFAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974790 VNCDHXSCQCSNGU-INIZCTEOSA-N 382.526 2.711 0 40 GFAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 1003773 SBKKWPMLECMNFZ-UHFFFAOYSA-N 377.491 2.937 0 40 GFAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 12546105 QGJXWEZHBFSZCA-ZDUSSCGKSA-N 388.265 2.556 0 40 GFAB CCCn1c(NC(=O)CN(C)S(=O)(=O)c2cccs2)nc2ccccc21 12550863 SZGYNMHYYYTVHY-UHFFFAOYSA-N 392.506 2.767 0 40 GFAB CN(C)C(=O)c1cccc(S(=O)(=O)NCCCSc2ccccc2)c1 55956597 CYIRUZDDBZUOKQ-UHFFFAOYSA-N 378.519 2.849 0 40 GFAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1ccc(-n2cccn2)cc1 25800388 JGRFQBMFMPJOLW-UHFFFAOYSA-N 384.509 2.830 0 40 GFAB O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)N1CCC(n2ccnc2)CC1 108179057 VECUVATUDUFWTH-WDSOQIARSA-N 380.496 2.674 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccccc3OC)c3ccccc3n12 57522806 BOLROZIWFRJDHS-UHFFFAOYSA-N 391.431 2.644 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccccc2)CC1 57749230 SDCLXNZLSQMNNF-KRWDZBQOSA-N 378.476 2.573 0 40 GFAB Cc1nc2ccc(N[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2s1 57722601 NQSLYUZNFZPNFZ-CYBMUJFWSA-N 398.488 2.983 0 40 GFAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 100322688 AUTCQXVTOIJYOT-SHMJEEEOSA-N 399.488 2.557 0 40 GFAB COCC[C@@H](C)NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 58195546 YWAZRYHGIWCXBP-OAHLLOKOSA-N 386.448 2.868 0 40 GFAB COC(=O)c1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 24925349 MEELLGFQJWSYGD-FMIVXFBMSA-N 392.455 2.907 0 40 GFAB O=S(=O)(NCc1ccnc(OCc2ccccc2)c1)N1CCCCCC1 48285962 ZQIXTWNECMYWIW-UHFFFAOYSA-N 375.494 2.871 0 40 GFAB Cn1nc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2c1=O 3368657 TTYIKWWVXIDFAZ-UHFFFAOYSA-N 389.770 2.522 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2cccnc2Cl)sc2c1CCCC2 3327684 ASZCEXCWHDFQOK-UHFFFAOYSA-N 393.852 2.570 0 40 GFAB CN1CCN(c2cc(CNC(=O)c3ccc(Br)cc3)ccn2)CC1 36392957 RTSQXIGJEAOVIF-UHFFFAOYSA-N 389.297 2.526 0 40 GFAB COc1cc(OC)c(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)cc1Cl 10934390 PWYQNUSAFPUEGR-UHFFFAOYSA-N 383.857 2.983 0 40 GFAB O=C(Nc1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 18175790 KCZJTNATSHUTOO-UHFFFAOYSA-N 377.441 2.505 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)CC1 29362511 OPNBHGFMVUMHFF-IPQJDTIWSA-N 399.535 2.961 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N(CC)CC(=O)NCc2cccs2)c1C 12878388 QJEALNMNRWUIOB-UHFFFAOYSA-N 391.493 2.648 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 12899700 DYSRPGGWGQJNDP-UHFFFAOYSA-N 390.509 2.854 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 3585863 AKECOGBBGSRTNX-UHFFFAOYSA-N 399.491 2.611 0 40 GFAB O=C(CCc1ccc(F)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 12998479 ZOQVCUQFFZPWNR-UHFFFAOYSA-N 390.480 2.728 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)NC(c1ccccc1)c1ccccc1 3606385 XTQMYGPIPXOTTH-UHFFFAOYSA-N 385.427 2.947 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 13002958 ITBQPVHLSNDABX-UHFFFAOYSA-N 386.517 2.826 0 40 GFAB Nc1nc(COC(=O)Cc2ccc(N3CCCC3=O)cc2)nc2ccccc12 18348350 QKYHROVYBUGBQH-UHFFFAOYSA-N 376.416 2.625 0 40 GFAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1 6100454 YTETUYGQNAYQBT-AWEZNQCLSA-N 383.433 2.811 0 40 GFAB CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 6586293 PUJUNCANAAXUDK-TZMCWYRMSA-N 388.497 2.639 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1C 408592992 LKMFAUJASBNPML-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB Cc1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 6881945 ZJTGJOYXXQDLML-MRXNPFEDSA-N 393.553 2.840 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccncc2)sc2c1CCC2 5894050 NUZHJERVPRXRQT-AATRIKPKSA-N 386.429 2.614 0 40 GFAB CCN(CC)C(=O)[C@@H]1CCCN1Cc1nc(-c2ccc(OC)cc2OC)no1 67653215 JZCFWZNUMRNDET-INIZCTEOSA-N 388.468 2.587 0 40 GFAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)CC(=O)N1CCOCC1 7607567 CMSYRSJDWMHOFB-QGZVFWFLSA-N 397.475 2.597 0 40 GFAB CC(C)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022113 HLHRORSILUDCPX-YGGLWSGOSA-N 389.883 2.515 0 40 GFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 68632057 ZQJLOSVKBFKLQZ-LSDHHAIUSA-N 394.947 2.907 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccc2Cl)CC1 8077113 PSVHCDTUNMBSJT-UHFFFAOYSA-N 399.878 2.804 0 40 GFAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2cc(C)on2)s1)C1CC1 9337561 LXBLAMNOSVOUSC-VIFPVBQESA-N 381.483 2.859 0 40 GFAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 71890238 VNNWHPQIQUCLHA-QGZVFWFLSA-N 378.904 2.841 0 40 GFAB COc1cccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 22332155 HUSBXMVAYZJJMG-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB COc1ccc(C2(C(=O)NCCOc3ccccc3OC)CCOCC2)cc1 72402253 RLZWFSPSFIQQBD-UHFFFAOYSA-N 385.460 2.947 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Oc2ccccc2O[C@H]1C 95469842 JNLMUWDUSQXGSH-DJJJIMSYSA-N 379.416 2.500 0 40 GFAB COC(=O)c1cc(OCC(=O)NCc2ccc(OC)cc2)c2ccccc2n1 65033041 GOKQXHCVZVQXPK-UHFFFAOYSA-N 380.400 2.725 0 40 GFAB Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)n1 306124498 BRPOVVGNZGIEIE-HSZRJFAPSA-N 385.471 2.984 0 40 GFAB CC(C)n1cc(CN2CCC3(CC[C@@H]4ON=C(C(=O)N5CC=CC5)[C@@H]43)CC2)cn1 306138371 RVYKIZZGMCZNRM-RBUKOAKNSA-N 397.523 2.609 0 40 GFAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 36617722 GHLGHAPLQKYZSD-UHFFFAOYSA-N 382.526 2.792 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 31208452 KEMSPBGXHNHYBB-ZDUSSCGKSA-N 375.831 2.881 0 40 GFAB CC[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccnc4)CC3)cc2NC1=O 72339699 WRBHYFMXIFMHDN-SFHVURJKSA-N 393.443 2.926 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 70640188 BPPJVJBGQLPZLI-WBMJQRKESA-N 380.366 2.732 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)NCc1ccnc(N2CCCC2=O)c1 675008205 IHAHYXRTICEFGP-UHFFFAOYSA-N 381.461 2.694 0 40 GFAB COCc1nn2c(ncc3c(=O)n([C@@H](C)C(=O)O)ccc32)c1-c1ccccc1 40396446 DBFNISDZKCWZLJ-LBPRGKRZSA-N 378.388 2.503 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1 223826838 NBKNUVZIIMKWLP-SFHVURJKSA-N 376.478 2.556 0 40 GFAB Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccccc2Cl)n1 225938207 SUAKLDQFJYGJCI-UHFFFAOYSA-N 377.901 2.762 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCOC2CCCC2)ccc1Cl 223370761 PNETXPMPQUCSCF-UHFFFAOYSA-N 375.874 2.754 0 40 GFAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223303967 BUMOCHSEUDHADD-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB O=C(Nc1nccs1)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 42383226 RQZWDEIDVGUIQF-UHFFFAOYSA-N 383.429 2.740 0 40 GFAB CCCCNC(=O)COC(=O)C1CCN(C(=O)Nc2cccc(C)c2)CC1 40150425 FWWBHPPHSUZXOJ-UHFFFAOYSA-N 375.469 2.698 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 1583244084 NGDLRFQQSAZBEQ-UHFFFAOYSA-N 381.432 2.619 0 40 GFAB CCCN1CCCC[C@@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 48278629 AVABFXHEDCQOMK-MRXNPFEDSA-N 397.541 2.539 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(F)cc2)c(Cl)c1 224407313 XTKKJLOLBMMUIJ-UHFFFAOYSA-N 386.832 2.659 0 40 GFAB CCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 223391010 JWQIQYFWROWZHV-UHFFFAOYSA-N 392.477 2.587 0 40 GFAB CN(c1cccc(C(=O)NCc2cccnc2)c1)S(=O)(=O)c1ccccc1 224252991 ZIUCPCLHZIBZAR-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB Cc1ccc(C(=O)NCCSc2ccccc2)cc1N(C)S(C)(=O)=O 222449074 LGSMNVLWUJIIOJ-UHFFFAOYSA-N 378.519 2.913 0 40 GFAB CCCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCN(CC)CC1 226277936 ULTTWPZLLHDMST-UHFFFAOYSA-N 387.402 2.896 0 40 GFAB Cn1nc(C2CCN(C(=O)/C=C/c3ccco3)CC2)n(-c2ccccc2)c1=O 77135540 AKXCCXMLDQCDIW-MDZDMXLPSA-N 378.432 2.583 0 40 GFAB CNC(=O)[C@H](CNC(=O)Nc1ccc2c(n1)CCC2)Cc1ccc(F)cc1C 575866244 JYTFALPRWWHWKV-INIZCTEOSA-N 384.455 2.744 0 40 GFAB CN(Cc1cnc(N2CCOCC2)nc1)C1CCN(c2cccc(F)c2)CC1 93684456 XQBTYAHTUCZIJA-UHFFFAOYSA-N 385.487 2.553 0 40 GFAB Cc1ccc(CN2CCc3cc(C(=O)N4CCCC4)c(N(C)C)nc3CC2)o1 96260381 VVJLNXYIBJDQMJ-UHFFFAOYSA-N 382.508 2.886 0 40 GFAB O=C(C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NC1CC1 96053005 GRNWRDZDHKDAGR-MRXNPFEDSA-N 390.487 2.807 0 40 GFAB CN1C(=O)C2(CCN(C(=O)CN3CCCCC3)CC2)C[C@H]1Cc1ccccc1 257257462 KPQYKZHHWNGCBU-HXUWFJFHSA-N 383.536 2.555 0 40 GFAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)C(C)(C)OC)CCO3)n2)s1 257272093 NBAHYCTUJXVLOO-ZDUSSCGKSA-N 391.497 2.564 0 40 GFAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(C(=O)COc3cccnc3)CC2)C1 257343924 ZUYZLDUVPUXCLP-IBGZPJMESA-N 399.466 2.886 0 40 GFAB CC(C)CN1C(=O)C2(CCN(CC(=O)O)CC2)C[C@H]1Cc1cccc(F)c1 257245550 IQBPFGXPNDJNQH-GOSISDBHSA-N 376.472 2.792 0 40 GFAB CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257282399 OTPFKINUGKQYQW-NJDAHSKKSA-N 382.508 2.706 0 40 GFAB CCn1nc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)c(=O)c2ccccc21 618773216 RZLJKKODRMJPPH-GOSISDBHSA-N 381.407 2.769 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N[C@H]1CC[C@@H](C(=O)O)C1 647692437 QKWGFLUQKVIWIG-OCCSQVGLSA-N 380.466 2.778 0 40 GFAB O=C(N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1(c2ccccc2)CCOCC1 96025370 IBNKEVGNSCYESM-HXUWFJFHSA-N 399.512 2.810 0 40 GFAB O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1ccccc1F 96024215 PZQKRRLQVXDAPF-UHFFFAOYSA-N 394.450 2.561 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1C 575423662 PPZAMDVPZMQQID-MRXNPFEDSA-N 397.518 2.583 0 40 GFAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585096887 BZMBWFRXVOVLHE-HNNXBMFYSA-N 389.459 2.522 0 40 GFAB Cc1ccc2c(c1)C(=O)N[C@]1(CC[C@H]3CN(C(=O)c4cccnc4C)C[C@H]31)N2 72327522 KXYOAQFBDGFDAS-REDKUUPNSA-N 376.460 2.732 0 40 GFAB COc1ccccc1N1CCN(C(=O)CN2CCC(c3ccncc3)CC2)CC1 12117353 QVSMOLGSCWOVGH-UHFFFAOYSA-N 394.519 2.618 0 40 GFAB COc1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc2c1OCO2 12122146 HIGXRXTZTANNGA-UHFFFAOYSA-N 392.415 2.540 0 40 GFAB COc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(C)n1 12223632 WUEQENCEMUTIOF-UHFFFAOYSA-N 380.370 2.775 0 40 GFAB CCCCn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2cc(S(N)(=O)=O)ccc21 12581646 SLYMGJMCQNXFDM-HUUCEWRRSA-N 378.542 2.962 0 40 GFAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 12876707 RVGVGOGEJOYWTB-UHFFFAOYSA-N 391.880 2.958 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)c3sccc3-n3cccc3)cc2N1 12889648 NBLCGXCQJYFIHR-UHFFFAOYSA-N 382.397 2.909 0 40 GFAB CCOc1ccc(Nc2nc(CSc3nnc(N)s3)cc(=O)[nH]2)cc1 13637039 IFHMELSNEDHDSX-UHFFFAOYSA-N 376.467 2.638 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1ccc(Cl)cc1 14274209 FLDHWNUQHLAFIU-GUYCJALGSA-N 385.851 2.680 0 40 GFAB COc1ccccc1/C=C/C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 15718045 IDSVEBCFBMMTIS-DHZHZOJOSA-N 386.473 2.548 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)c2cccnc21 19021690 RDXYTRLCBJWQQW-GOSISDBHSA-N 397.523 2.854 0 40 GFAB COc1cccc(OC)c1CN1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19567015 JZHPXLKVLVRKMY-INIZCTEOSA-N 392.459 2.839 0 40 GFAB O=C(Nc1onc2c1CCCC2)[C@H]1CCCCN1S(=O)(=O)c1cccs1 8976701 SRNQHDDDGYMYGG-CQSZACIVSA-N 395.506 2.797 0 40 GFAB O=C([C@@H]1CCCCO1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888866593 XTAHRUKGEWREHQ-SFHVURJKSA-N 384.480 2.793 0 40 GFAB CCc1ncnc(OCC2CCN(c3c(C)c(C)nc4ncnn34)CC2)c1F 1888903793 DXGAXMDDAKITQY-UHFFFAOYSA-N 385.447 2.528 0 40 GFAB CN(C)c1cc(N2CCN(Cc3ccc(Br)cc3)CC2)ncn1 1889131792 CTQYWARGRAIIOM-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB C[C@@H](CNC(=S)NCCc1ccccc1)N1CCN(c2ccccc2)CC1 36847471 HBIGYMNTUQJZHO-IBGZPJMESA-N 382.577 2.904 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@](O)(COc2ccc(F)cc2)C1 2037915904 ACJSQQLATRHFBO-CBGDNZLLSA-N 378.488 2.821 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2C)n(C)c1=O 4249406 MWZDYHSRSFHGPH-UHFFFAOYSA-N 381.480 2.937 0 40 GFAB O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccnc1 5144802 YOZMWMFHZUPAQN-UHFFFAOYSA-N 381.461 2.940 0 40 GFAB C[C@H](NC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1 9738384 UKTFJIJZSFBIPO-AWEZNQCLSA-N 377.444 2.728 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC[C@H](COc3ccnc(C)c3)C2)c1 1775971636 SAQBCWBGJJGGHL-INIZCTEOSA-N 376.478 2.878 0 40 GFAB CC(C)c1nccc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1 585593949 PQBRHEQFRJWUNT-UHFFFAOYSA-N 378.484 2.630 0 40 GFAB Cc1ccc(O)c(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 22323705 JCLLUEKVXDRSKE-UHFFFAOYSA-N 384.461 2.770 0 40 GFAB CCCn1c(=O)n(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c2ccccc21 30030349 GFTPOEJMMNUYNJ-NRFANRHFSA-N 392.503 2.728 0 40 GFAB CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1OC(F)F 40090597 HZWUWIGNTWRCHU-GXTWGEPZSA-N 390.452 2.527 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(NC(=O)C(C)C)c2)C1 40133262 DBKXVKJSKFOETC-OAHLLOKOSA-N 395.525 2.671 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1)C(C)C 20730461 YUNWTYSUGMTMCK-DOTOQJQBSA-N 390.871 2.918 0 40 GFAB CCCc1cc2c(=O)n(NC(=O)c3nn(CC)cc3Cl)c(C)nc2s1 2782509 SKKYVJDGVXFOQN-UHFFFAOYSA-N 379.873 2.973 0 40 GFAB COc1ccc(CNC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)cc1 1353504 LZHNLYAQMVFEHO-UHFFFAOYSA-N 383.477 2.696 0 40 GFAB CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)[C@H](C)CS(C)(=O)=O 78808586 MVKLWVXGMQKNDO-OAGGEKHMSA-N 397.541 2.587 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1 32827317 XAKLAKFOYQNBAV-UHFFFAOYSA-N 398.462 2.555 0 40 GFAB Cc1csc2nc(CNc3ccccc3C(=O)NC[C@@H]3CCCO3)cc(=O)n12 8156517 VNPMFFGXBGULFH-HNNXBMFYSA-N 398.488 2.585 0 40 GFAB C[C@@H]1[C@@H]2[C@H](c3ccc(Br)cc3)N(C)C(=O)N(C)[C@H]2N(C)C(=O)N1C 102668877 JKBNGUTWVQJJLM-QPKOPYBWSA-N 395.301 2.815 0 40 GFAB Cc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1 4133456 OOUADEQPHRYYCQ-UHFFFAOYSA-N 398.532 2.868 0 40 GFAB CC(=O)O[C@@H]1O[C@@H](C)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4899993 HOKIFLYHNPKFGY-OTUCFGOJSA-N 384.384 2.746 0 40 GFAB CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)Nc3ncnn32)cc1Cl 4987233 KUHDRWNMADTBDZ-MRXNPFEDSA-N 392.843 2.809 0 40 GFAB COCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 6950984 IUHSMJXULGUUCV-UHFFFAOYSA-N 396.516 2.907 0 40 GFAB O=C(NCCc1cc(F)cc2c1OCOC2)N1CCN(c2ccccc2)CC1 47069955 VGZKBJNAXRYYNY-UHFFFAOYSA-N 385.439 2.767 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)ccn1 47011942 MOVZCHGNLRNBMO-UHFFFAOYSA-N 389.459 2.561 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 8199278 YJWMYQVOJLKWNB-GOSISDBHSA-N 393.487 2.705 0 40 GFAB C[C@]12CC[C@@H](C[C@@H]1C(=O)N1CCSCC1)[C@]1(C2)NC(=O)c2ccccc2N1 100116083 LPURDHRZANAVDU-IWMXFIMRSA-N 385.533 2.940 0 40 GFAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC[C@@H]1CCCO1 22771676 DYQIKMYZECAAAG-QFIPXVFZSA-N 393.531 2.689 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)ccn1 47287168 YNIRFMKUYDZVRP-UHFFFAOYSA-N 379.445 2.550 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1OC 108047008 GZCGLIJNWAKLIR-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB CC1(C)CN(C(=O)NCc2nnc3ccccn23)CCN1Cc1ccccc1 105086145 SHERTJZCYWJVMT-UHFFFAOYSA-N 378.480 2.535 0 40 GFAB COC(=O)[C@H](c1ccccc1Cl)N1CCC(NC(=O)c2cc(C)no2)CC1 58174716 DLXGTUNQRWAXQU-KRWDZBQOSA-N 391.855 2.745 0 40 GFAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 55149552 SOSVCKVLJMZZPA-CHWSQXEVSA-N 384.354 2.893 0 40 GFAB COc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 24831701 YQUAMQTWFCMCOV-UHFFFAOYSA-N 384.432 2.657 0 40 GFAB CC[C@@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c1 107539937 PTJNSSCBYWJWPA-CRAIPNDOSA-N 377.510 2.816 0 40 GFAB Cc1cccc(-c2nc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cs2)c1 27672676 LZLXKRHVIHXBFA-UHFFFAOYSA-N 387.486 2.947 0 40 GFAB Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CCn3cncn3)c2)c1 58061480 BSZHMXGDBYQWBH-UHFFFAOYSA-N 378.436 2.937 0 40 GFAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 58044751 GPPPKTDQTXGWDG-HIFRSBDPSA-N 385.365 2.705 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O 28019195 UYBDOWVFJHNQDD-GOSISDBHSA-N 375.787 2.981 0 40 GFAB Cc1noc(-c2ccc(C(=O)OCc3cc(=O)n4cccc(C)c4n3)cc2)n1 22977849 HXBLWXCUBDDDOO-UHFFFAOYSA-N 376.372 2.718 0 40 GFAB CN1CCN(Cc2ccccc2CNC(=O)NCC2(c3ccccc3)CC2)CC1 45376272 UAKVWEGIBWRSDI-UHFFFAOYSA-N 392.547 2.965 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 12783046 RBJVNOXLNITVLH-UHFFFAOYSA-N 397.500 2.989 0 40 GFAB COc1ccc(C)cc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11162438 QVKGLVBSTULLRV-QGZVFWFLSA-N 388.489 2.636 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(C(=O)N2CCCC2)c1 29266621 HHHXQMSSXAQOFR-UHFFFAOYSA-N 393.443 2.677 0 40 GFAB CN(C)CCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20040684 YZDCUIGRGQVEQG-UHFFFAOYSA-N 395.912 2.822 0 40 GFAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1cc(F)cc(F)c1 12807568 VNQZMONHAPWEFI-UHFFFAOYSA-N 387.430 2.932 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3460312 KLOIVFCCJBIFML-AOMKIAJQSA-N 379.460 2.591 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 3515730 MWMWFASTTPZIJX-ZETCQYMHSA-N 394.063 2.825 0 40 GFAB O=C(c1ccco1)N1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 12911472 ZXKPKFRPTKJBTP-HXUWFJFHSA-N 381.476 2.791 0 40 GFAB O=C(NCc1ccco1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 13013253 ZMPNVVRKPNJHHQ-UHFFFAOYSA-N 399.472 2.649 0 40 GFAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCS[C@H]1c1ccccc1F 8328337 OJYIYCMFVNPXMJ-INIZCTEOSA-N 391.468 2.654 0 40 GFAB Cn1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c(C(C)(C)C)n1 92245665 QBDYFCHCTXEKGV-UHFFFAOYSA-N 382.464 2.873 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 4183414 HJKWJLMWKGYODA-HNNXBMFYSA-N 379.503 2.651 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(Br)cc2)o1 4166319 DILRWRGHNOFPNG-LBPRGKRZSA-N 384.251 2.626 0 40 GFAB COc1ccc2[nH]c(C(=O)NCCC(=O)Nc3ncc(C)s3)cc2c1OC 13722729 HPFGEASCYHPRKG-UHFFFAOYSA-N 388.449 2.709 0 40 GFAB CCOC(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)cc(C(=O)OCC)c1 6258451 SOZPJHLJXUIJIN-SFHVURJKSA-N 399.399 2.819 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc2ccc(=O)oc2c1 5222073 NMAJPSKBLKVPRC-UHFFFAOYSA-N 378.384 2.936 0 40 GFAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505431 VINOAMSBEGKXQK-MRXNPFEDSA-N 387.567 2.962 0 40 GFAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NC1CCC(O)CC1 14240695 RNLDGHDGWZFMSP-OBFZPWGMSA-N 382.504 2.943 0 40 GFAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCNC(=O)c1ccccc1)CC2 5451800 BAZKKBGCQYCOKY-OAHLLOKOSA-N 382.460 2.970 0 40 GFAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)C2 4661349 VYPMSMQOKWIUFB-FOIQADDNSA-N 394.512 2.673 0 40 GFAB CC(C)CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 6719291 CPDVTBZKODMVEU-CABCVRRESA-N 396.534 2.579 0 40 GFAB COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 4943606 WMRSDDDJGLSTHN-UHFFFAOYSA-N 397.431 2.964 0 40 GFAB C[C@H](C(=O)NCCSc1ccc(Cl)cc1)n1nnc2ccccc2c1=O 80338369 WEFHGBABNAGWDG-GFCCVEGCSA-N 388.880 2.914 0 40 GFAB CCCCN(C(=O)CCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7724668 SKOLRKOUXWEQDG-UHFFFAOYSA-N 386.496 2.541 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCSc3ccccc32)C1=O 7719266 VCRBCDGCIKCORT-NRFANRHFSA-N 395.484 2.983 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2S(C)(=O)=O)cc1F 7856717 GMWIPFXCVFKZHB-GFCCVEGCSA-N 379.409 2.722 0 40 GFAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)NCC1CCCCC1 19482978 JJZSLMUNNCSQGQ-HNNXBMFYSA-N 390.480 2.760 0 40 GFAB CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 71328971 UIMQDGMXAOTCGB-QKKBWIMNSA-N 393.443 2.679 0 40 GFAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccc(F)cc1 71327198 FLPQJMBKXHECOK-UHFFFAOYSA-N 389.337 2.895 0 40 GFAB C[C@H](C[S@](C)=O)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 96012205 OJDYDHPLMJMJNO-ZBSNKRKSSA-N 388.518 2.835 0 40 GFAB CN(C)C(=O)C1CCN(C(=O)Nc2nnc(CC3CCCCC3)s2)CC1 83843988 RCKXOEPAHNOAAF-UHFFFAOYSA-N 379.530 2.993 0 40 GFAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)N[C@@H](C)c1nnc2ccccn12 95479684 ZZKYUCJHDPFNLX-ZDUSSCGKSA-N 378.411 2.987 0 40 GFAB COc1cccc(-c2cc(C(=O)Nc3ccc(CN4CCOCC4)cn3)[nH]n2)c1 95976299 RXKGILQUHYAIQF-UHFFFAOYSA-N 393.447 2.565 0 40 GFAB Cc1cc(C)cc(CN2C[C@H]3CN(Cc4csc(C)n4)S(=O)(=O)[C@@H]3C2)c1 306125349 CNAAZWBNQAPSDB-PKOBYXMFSA-N 391.562 2.714 0 40 GFAB C[C@H](Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)NC1CCCCC1 408591406 MBGOELAPDVZMMZ-AWEZNQCLSA-N 382.526 2.980 0 40 GFAB Cc1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)n1 32865091 YQWNNZHPHJXJCG-SECBINFHSA-N 393.412 2.776 0 40 GFAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccncc3)n2)ccn1 35424811 NIMXIIKBMDYCOB-KRWDZBQOSA-N 381.436 2.889 0 40 GFAB biogenic,in-vitro Cn1nc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)ccc1=O 77100948 ABPTXSOGRPNDIU-LLVKDONJSA-N 381.263 2.942 0 40 GFAB COc1ccc2nc(NC(=O)Cn3c(C)nc4ccc(O)cc4c3=O)sc2c1 72401279 GFCLQDFKZZGCKR-UHFFFAOYSA-N 396.428 2.668 0 40 GFAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217480943 AZLAMWKYNJQVSI-ZIAGYGMSSA-N 392.477 2.871 0 40 GFAB O=C(NCc1ccncc1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768300 RYPCHGKSUPXZSW-UHFFFAOYSA-N 387.403 2.520 0 40 GFAB CC(=O)N1CCN(C(=O)c2sc3ccccc3c2[C@@H]2CCN(C(C)=O)C2)CC1 72356270 XHTYRXLIRXONEN-MRXNPFEDSA-N 399.516 2.541 0 40 GFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2ccccc2)CC1 40104161 PAXGWGGZBMZERG-UHFFFAOYSA-N 389.358 2.998 0 40 GFAB Cc1ccc(CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1 224575020 RIAMJOYPBWWDKG-UHFFFAOYSA-N 390.549 2.842 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C 222813311 SVBHFQUHSQWVQM-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccccc1 223447082 HYPRTEWHATTWSO-OAHLLOKOSA-N 390.505 2.756 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 44900898 CBAMTGNVSZLXPT-CQSZACIVSA-N 394.468 2.868 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 40161864 SQBMOUMQGMBOLC-AWEZNQCLSA-N 391.880 2.523 0 40 GFAB CC(C)NC(=S)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225888494 HXTHNFFYZDPZGJ-UHFFFAOYSA-N 398.536 2.528 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220145289 IXNIFJASYHGHBE-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB COc1cnc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)s1 581082519 NCAFWOSNVBBOJE-UHFFFAOYSA-N 376.463 2.922 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)NCc1cccc2ccccc12 245227584 PLYFRCIGULBKGZ-UALGEBADSA-N 386.451 2.509 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C4[C@@H]5CCCC[C@@H]45)C3)ncc2C1 247952548 RKIDMDMMDGBVLG-KBAYOESNSA-N 382.508 2.523 0 40 GFAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)ccnc12 257302957 SFDKYEFTHRQPHG-QGZVFWFLSA-N 395.438 2.524 0 40 GFAB COCCC(=O)N[C@@H]1[C@H]2CCCN(c3nccc(C(F)(F)F)n3)[C@H]2C1(C)C 585137565 GLTFPHUGRUZVRT-KCPJHIHWSA-N 386.418 2.642 0 40 GFAB CCOCc1nc(C)c(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)s1 592725414 OQJGGNIWJINRGM-AWEZNQCLSA-N 394.497 2.534 0 40 GFAB CC(C)(C)n1nnc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 665862900 PEPRSACGJBAELQ-QGZVFWFLSA-N 375.436 2.824 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@@H](C(=O)O)c3ccccc3F)c(O)nc2C1 678988027 VZSAYMAAWWDEHD-MRXNPFEDSA-N 386.379 2.637 0 40 GFAB C[C@]1(c2ccc(CNC(=O)Nc3ccc4occc4c3)cc2)NC(=O)NC1=O 1626936466 VVXRKWACJHGUIZ-HXUWFJFHSA-N 378.388 2.809 0 40 GFAB C[C@H](C(=O)O)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O 299817186 KORXLQCISNSYKQ-LRDDRELGSA-N 387.436 2.520 0 40 GFAB in-vitro COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 585110567 HQQZRISANMZCMR-HYVNUMGLSA-N 394.899 2.679 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC(O)CC2)C3)cc1F 585104599 RAVUGLDNRRTFMI-LJQANCHMSA-N 390.499 2.602 0 40 GFAB CC(C)C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)O 12945966 CUYTVWABZLVLML-QGZVFWFLSA-N 379.416 2.615 0 40 GFAB CC(=O)Nc1ccc2c(Cn3nc(-c4ccc(F)cc4)oc3=O)cc(=O)oc2c1 14675952 WQJFIJLXFVVPQE-UHFFFAOYSA-N 395.346 2.756 0 40 GFAB COc1ccc(CN2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 19017121 UXUFQUGUYHKEJD-SFHVURJKSA-N 380.492 2.769 0 40 GFAB COCC(=O)N1CCC[C@](Cc2cc(-c3ccc(C)cc3)no2)(C(=O)N(C)C)C1 19212255 SJWTXADVXPFFMX-JOCHJYFZSA-N 399.491 2.536 0 40 GFAB NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)C1 19374299 MFGBTBNRZFZQNB-HSZRJFAPSA-N 386.455 2.704 0 40 GFAB O=C(COc1ccc2nsnc2c1)N1CCC(COc2ccccn2)CC1 19402240 LRFACPWCPCSYMM-UHFFFAOYSA-N 384.461 2.783 0 40 GFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 1003692 YZJACVYBJUPTJH-UHFFFAOYSA-N 382.441 2.846 0 40 GFAB Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)nc12 12128045 DMCGKAFOPVYPEL-MRXNPFEDSA-N 397.523 2.838 0 40 GFAB Cc1ccn(CCNC(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)n1 13227747 JBEBTKOSVDZQQS-UHFFFAOYSA-N 397.504 2.582 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCc3nc4ccccc4n3C)CC2=O)cc1F 36398142 KXCUOOJHLRUGCR-AWEZNQCLSA-N 380.423 2.690 0 40 GFAB Cc1ccccc1C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 23135455 SXQCZWSTFJLJMR-UHFFFAOYSA-N 388.431 2.655 0 40 GFAB COc1ccc(CN2CCN([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1F 35262664 NICLWKPMDAIJOT-OKZBNKHCSA-N 391.531 2.845 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1cccc(C)c1 8770340 VGHGZARYFNMADP-UHFFFAOYSA-N 377.400 2.970 0 40 GFAB COc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc(OC)c1OC 9701403 SKKJOCZMNRXZMA-UHFFFAOYSA-N 399.359 2.743 0 40 GFAB CCCCC(=O)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 9823090 YRDHRNXQIMDIGG-UHFFFAOYSA-N 387.871 2.601 0 40 GFAB O=C(COc1ccc(F)cc1)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13801992 FMWODTTVCZIYFJ-UHFFFAOYSA-N 399.397 2.774 0 40 GFAB O=C(c1ccccc1)[C@@H]([C@H](c1cccs1)N1CCOCC1)N1CCOCC1 19863959 OYUZHUSQRQRGSA-VQTJNVASSA-N 386.517 2.705 0 40 GFAB CN([C@@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)S(=O)(=O)C1CC1 2086889737 VRNSKFZJADFVOG-CYBMUJFWSA-N 380.901 2.676 0 40 GFAB COC(=O)CC1=CC(SCC(=O)NC[C@@H]2CCCO2)=Nc2ccccc2N1 35480748 IJTUMZOIASBRBL-AWEZNQCLSA-N 389.477 2.618 0 40 GFAB CSc1ncccc1C(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575616913 LHRMJMNLFGMSKT-CQSZACIVSA-N 380.473 2.991 0 40 GFAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccc2c(c1)OCCO2 12165752 ISKKXPFUOMMHMR-UHFFFAOYSA-N 392.411 2.988 0 40 GFAB Cc1ccc2ncn(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)c(=O)c2c1 40117030 FQHMAPNWFDIOCW-UHFFFAOYSA-N 387.386 2.965 0 40 GFAB CN(Cc1cccs1)C(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 40120342 JVOMFBASOKLJRT-HXUWFJFHSA-N 397.544 2.756 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)ccc21 40120722 LQSJQWCXIZXZOJ-UHFFFAOYSA-N 390.443 2.713 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1)N(Cc1ccccc1F)C1CC1 32741310 PYCDJRXCHZKQLI-UHFFFAOYSA-N 376.453 2.685 0 40 GFAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)o1 21601765 NLHPXICPFBUANL-SNVBAGLBSA-N 376.434 2.730 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 4278982 DVKNLPLLTBOOFE-ZJBJCVSYSA-N 394.427 2.830 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 6824005 FYUOJIBENXVPKD-QGZVFWFLSA-N 386.517 2.835 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1n[nH]c2ccccc12 8134079 RSEPUVWVBSFMAJ-UHFFFAOYSA-N 398.366 2.656 0 40 GFAB O=C1CCCN1c1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 8161884 DHZLKGMDVWNMSK-UHFFFAOYSA-N 386.477 2.737 0 40 GFAB COC(=O)[C@H]1Cc2ccccc2CN1[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 33413571 YMIGHRTTYJDODZ-WOJBJXKFSA-N 392.455 2.535 0 40 GFAB CC(=O)CC(=O)CSc1nc2ccccc2c2nc(-c3cccnc3)nn12 9937966 PAKBFEKSHPJXKO-UHFFFAOYSA-N 377.429 2.980 0 40 GFAB COc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc(Cl)c1OC 23056927 OLCUFSYJACMUJS-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 941623 IMVMZBREKLQOBG-LLVKDONJSA-N 386.791 2.506 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 23701744 SXJBRRYAHSQADS-HNNXBMFYSA-N 386.473 2.581 0 40 GFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3cn4ccccc4n3)n2)cc1 12556724 PQFFCVUCEHAYQF-UHFFFAOYSA-N 375.392 2.511 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)cnc21 25093433 CILGMOIYLRVBRE-JKSUJKDBSA-N 386.496 2.830 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)s1 25256608 VLTDYCUSPFLQDX-NSHDSACASA-N 376.409 2.974 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1c1ccc(F)cc1 25361583 CLVSRHSSUJYGKY-SFHVURJKSA-N 399.466 2.880 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 57427119 QZDBGYMVSBDCBI-UHFFFAOYSA-N 387.461 2.672 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)cc1N1CCCCC1=O 48252953 OGSPVOKVZFTINB-ZDUSSCGKSA-N 385.420 2.562 0 40 GFAB Oc1ccc([C@@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10298070 LOPHLCCNTYOUMN-PMQIGOLDSA-N 385.387 2.739 0 40 GFAB COCCCNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10359940 BKYRKTXKHSLFEQ-UHFFFAOYSA-N 390.505 2.728 0 40 GFAB CCC(=O)Nc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)ccc1OC 10175147 NNNCOZKMOOUVFU-UHFFFAOYSA-N 396.491 2.804 0 40 GFAB CCc1ccc([C@@H](CNC(=O)CCN2C(=O)COc3ccccc32)N(C)C)cc1 27596981 JFMHUDNHXWRNBI-HXUWFJFHSA-N 395.503 2.784 0 40 GFAB Cc1ccc(NCC(=O)Nc2ccc(F)c(F)c2)c(OCC(=O)N(C)C)c1 58192186 KROUNJXIZXGCJV-UHFFFAOYSA-N 377.391 2.791 0 40 GFAB C[C@@H](CNC(=O)c1csc(-c2cnn(C)c2)n1)N1CCc2sccc2C1 45019681 ONSFDFUUMYUWJO-LBPRGKRZSA-N 387.534 2.782 0 40 GFAB Cc1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)nn1-c1ccc(F)cc1 12790316 XYAGAJDRWLXLPC-SNVBAGLBSA-N 381.367 2.687 0 40 GFAB CCN(C(=O)c1sc2nc(C3CC3)nc(C)c2c1C)[C@@H]1CCS(=O)(=O)C1 58405824 NYZRZZZNHCFHAS-CYBMUJFWSA-N 393.534 2.835 0 40 GFAB CC(=O)c1cccc(N2CN=c3s/c(=C\c4cccc(Cl)c4)c(=O)n3C2)c1 2258522 FRIMDEWJIMXIBF-NVMNQCDNSA-N 397.887 2.649 0 40 GFAB COc1ccccc1C(=O)NCC(=O)Nc1cc2c(cc1Cl)OCCCO2 12949144 GGSKKWGAOSMENY-UHFFFAOYSA-N 390.823 2.878 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CSc3nnnn3C3CCCC3)n2)cc1 8231900 CFOXLTBWMLWHIO-UHFFFAOYSA-N 383.485 2.900 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nc(CCc3ccccc3)c(=O)[nH]c2c1 8391795 FWSKKDQGKFWCLM-UHFFFAOYSA-N 385.489 2.739 0 40 GFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCC1 8310469 PBDQXBLJKYQBHZ-KRWDZBQOSA-N 387.480 2.753 0 40 GFAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)c1OC 4140022 RSYLXKYPFIUQAB-MRXNPFEDSA-N 384.461 2.530 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)o1 17121653 WNWLFAHYKYDPSC-COPLHBTASA-N 390.408 2.918 0 40 GFAB CCn1c(-c2ccc(Cl)cc2Cl)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 13787896 NWIBHGRSDUVORH-UHFFFAOYSA-N 392.246 2.680 0 40 GFAB COc1ccc2c(C)c(CCC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1 8490995 GDZUBEMPFVMEMY-IBGZPJMESA-N 381.428 2.892 0 40 GFAB biogenic Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(=O)NC1CCCCC1 5353001 DFRYSCGYOIQTPD-ZDUSSCGKSA-N 388.497 2.610 0 40 GFAB CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 5443595 FIOAUDWKLDQILU-UHFFFAOYSA-N 392.502 2.682 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3s2)c1 5402124 CDTUMAXMVARMGY-UHFFFAOYSA-N 376.459 2.904 0 40 GFAB CCCc1n[nH]c(SCc2nc(CC(=O)Nc3ccccc3OC)no2)n1 14730457 QUWHRMVVOJUCEW-UHFFFAOYSA-N 388.453 2.622 0 40 GFAB O=C(C[C@@]1(O)C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccccn1 8569924 SCJKKZFRQQTLQG-QFIPXVFZSA-N 379.460 2.722 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2N)cc1 6999390 WWPHXHQYKAIJGP-UHFFFAOYSA-N 378.436 2.677 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 15328514 JSDWBBPKQPZALT-UHFFFAOYSA-N 385.411 2.752 0 40 GFAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-n3cncn3)cc2)cc1 7280330 UARAKYRRBPIJBU-UHFFFAOYSA-N 378.388 2.656 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCC(=O)c1cccs1 15735505 LRPFRRCTXPRVKH-UHFFFAOYSA-N 380.491 2.908 0 40 GFAB CCCNC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 7680390 OMVGFLOOFFRRQU-UHFFFAOYSA-N 396.491 2.644 0 40 GFAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1C1CC1 7618215 JQLPATRUZVIFJH-UHFFFAOYSA-N 391.522 2.555 0 40 GFAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 7959700 NIUAANLIWDKMDW-UHFFFAOYSA-N 382.869 2.780 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 8945972 TZGSHQUTXIJSDS-UHFFFAOYSA-N 396.852 2.614 0 40 GFAB CNc1snc(C)c1C(=O)OCc1nc(N)nc(Nc2ccc(C)cc2)n1 16552734 XRQBSBGQPYVEJC-UHFFFAOYSA-N 385.453 2.669 0 40 GFAB CS(=O)(=O)c1cccc(OC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1 83989845 RPQCIXNYQJWWSP-UHFFFAOYSA-N 394.880 2.961 0 40 GFAB C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cn(Cc2ccccc2)nn1 553983687 QCLQXJNLZYHELB-MRXNPFEDSA-N 379.439 2.816 0 40 GFAB CN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 4537719 HMYSJHGTAMQUGE-JLTOFOAXSA-N 384.586 2.953 0 40 GFAB O=C(Cc1ccccc1)N1CCO[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306133331 MIOSZGIOHCQDMO-OAQYLSRUSA-N 399.454 2.934 0 40 GFAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl 32992751 LCNVKHNSUKUJDY-SNAWJCMRSA-N 376.884 2.759 0 40 GFAB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 408650262 ARBABJRIJJVMLF-QTUASDBPSA-N 382.460 2.839 0 40 GFAB O=C(CC1(n2cccc2)CCOCC1)Nc1n[nH]c(COc2ccccc2)n1 524735730 VCNKTNBZSKBOQD-UHFFFAOYSA-N 381.436 2.720 0 40 GFAB Cc1nnc(Sc2ccc([C@@H]3N[C@@H](C(=O)O)CS3)cc2[N+](=O)[O-])s1 35339449 KCTOAMPABIEJMO-LDYMZIIASA-N 384.464 2.694 0 40 GFAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)CCCn1ccnc1)c1ccccc1O2 72327815 FQIKMYFASMJHHR-AVRDEDQJSA-N 396.491 2.684 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1OC 223346275 LKURZVDPPUQIML-UHFFFAOYSA-N 398.824 2.603 0 40 GFAB CSc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223307234 FGAYYWQJKZDSFQ-UHFFFAOYSA-N 380.491 2.676 0 40 GFAB COc1cccc(C(=O)NCCOC(=O)c2snnc2-c2cccs2)c1 223848766 QMWABDCGNUQNKQ-UHFFFAOYSA-N 389.458 2.862 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1Cl 225500506 QJFLGEZZDQPEPH-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB COc1ccc(CC(=O)NCCc2c(C)nn(-c3ccccn3)c2C)cc1OC 225581811 BSKQRYCYOOMING-UHFFFAOYSA-N 394.475 2.803 0 40 GFAB O=C1CC(c2cccc(NC(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)c2)CC(=O)N1 573063967 LTXPLRWGTBZQIA-BQGCOEIASA-N 396.365 2.501 0 40 GFAB Cc1cccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224903645 QNBNSALLXUKJGZ-UHFFFAOYSA-N 387.505 3.000 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 223593706 VQBTUULQUFTGLT-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB O=C(O)c1cn([C@@H]2CCN(c3ccnc4cc(C(F)(F)F)ccc34)C2)nn1 576696434 NKLITYPHDCRWFT-LLVKDONJSA-N 377.326 2.995 0 40 GFAB COc1cc(=O)n(CC(=O)N2CCC[C@H](C)C2)nc1-c1ccc(Cl)cc1 96100868 BVVZAPGGRMIMDP-ZDUSSCGKSA-N 375.856 2.831 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccccc3Br)CC2)n1 238892181 QSKOYXUCOYPWKN-UHFFFAOYSA-N 391.269 2.652 0 40 GFAB O=C(CCc1ccccc1)N1C[C@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2C1 96245530 LPQLVIFQJRPJDS-SFTDATJTSA-N 377.488 2.564 0 40 GFAB O=S(=O)(Cc1cc(F)cc(F)c1)NC[C@@](O)(c1ccoc1)c1cccs1 253471175 BJXCRJDDVZNSFF-QGZVFWFLSA-N 399.440 2.975 0 40 GFAB O=C(O)c1nn(-c2ccccc2F)nc1N1CCN(c2ccccc2F)CC1 256045837 BFLFMWLBSBELHY-UHFFFAOYSA-N 385.374 2.570 0 40 GFAB COc1cccc(N(CCCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 250440118 JCXWHSVXEZRYCX-MPGHIAIKSA-N 380.510 2.546 0 40 GFAB CO[C@H](C)c1nsc(NCC2(O)CCN(C(=O)[C@]3(C)CC=CCC3)CC2)n1 1615611995 STYJZVMGGUVWKD-RDTXWAMCSA-N 394.541 2.757 0 40 GFAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C 1137848789 RRNFSDKHFUYZMX-AVYPCKFXSA-N 382.501 2.918 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1=O 672774355 JEIXHJFGZIKQFD-CABCVRRESA-N 384.407 2.950 0 40 GFAB CCn1cc(Cl)c(C(=O)NC2CCN(c3nc4cccnc4s3)CC2)n1 390827796 KGFOJIQAVQTAFH-UHFFFAOYSA-N 390.900 2.960 0 40 GFAB COc1cccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 169772361 VUKOKZDFSYPVOO-UHFFFAOYSA-N 380.370 2.903 0 40 GFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3cccs3)cc21 5442182 FWHIPPDPNLKCCP-UHFFFAOYSA-N 385.489 2.938 0 40 GFAB Cc1nc2ccc(NC(=O)CN3[C@H]4CC[C@@H]3CC(O)(c3ccco3)C4)cc2[nH]1 12114585 UDWOAMXGLDJPDC-GWTOYCKXSA-N 380.448 2.917 0 40 GFAB Cc1nn(CC(=O)N(C)C[C@@H](C)c2ccccc2)c(=O)c2cc3occc3n12 12115442 POWNCHHNKFVSAA-CQSZACIVSA-N 378.432 2.813 0 40 GFAB CCN(c1ccc(OCC(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(C)cc1 13585248 SOJYRJSZQLEDLR-UHFFFAOYSA-N 388.489 2.868 0 40 GFAB COc1ccc(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC 19560834 YQLRXRUOAUIFNF-KRWDZBQOSA-N 392.459 2.839 0 40 GFAB COc1ccc(-c2noc(CCN3C(=O)c4ccccc4C3=O)n2)cc1OC 2342129 MIVYVXDTRFCDIB-UHFFFAOYSA-N 379.372 2.593 0 40 GFAB COc1cccc(-c2noc([C@@H](C)NC(=O)C3(C(=O)O)CC4(CCC4)C3)n2)c1 659123332 OKLREQFUWHEEPH-GFCCVEGCSA-N 385.420 2.958 0 40 GFAB O=C(c1cncc(O)c1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897813 ZUWAIWRNUSTRDE-UHFFFAOYSA-N 393.447 2.639 0 40 GFAB O=C(c1cc2ccccc2oc1=O)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238880908 PFOBDJMGYINGRF-SNVBAGLBSA-N 379.294 2.825 0 40 GFAB COc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1 4306499 ZRXPPKGYRRQCLA-UHFFFAOYSA-N 377.447 2.537 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@H]1c1cccc(O)c1 12322711 MUKJLNWORSSMNN-HXUWFJFHSA-N 379.416 2.983 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc21 21756853 BFOZTXWMCSCTQN-UHFFFAOYSA-N 392.452 2.861 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219252903 NDBASVWNTSHOIX-INIZCTEOSA-N 396.490 2.889 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575618499 WGCQYJRCQSCLDS-DNVCBOLYSA-N 391.464 2.981 0 40 GFAB CCOC(=O)C1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1 225577889 QSCVUGHGIHPFOT-UHFFFAOYSA-N 379.420 2.973 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438427 ZUHCSUUIRMMMRC-UHFFFAOYSA-N 388.445 2.656 0 40 GFAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1CN1C(=O)CNC1=O 10463801 NAFJOCVKBDSNAM-UHFFFAOYSA-N 391.349 2.687 0 40 GFAB CCCc1cc(N2CCN(Cc3ccc(OCC)cc3)CC2)n2ncnc2n1 40149451 SJZRUNDJEATFTL-UHFFFAOYSA-N 380.496 2.798 0 40 GFAB CC/C(NCCc1ccccc1)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 20548256 NVYFGLVKNUNCNX-HNENSFHCSA-N 377.444 2.761 0 40 GFAB CNC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 51798193 MAUGIWIWHMRBGI-UONOGXRCSA-N 386.370 2.897 0 40 GFAB CC(C)N(Cc1ccccc1)C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 19797466 HIKRULITGQUNFR-UHFFFAOYSA-N 386.473 2.804 0 40 GFAB CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 1565799 YRDRFFFTGFBSPS-UHFFFAOYSA-N 377.470 2.816 0 40 GFAB C[C@H](OC(=O)CCNC(=O)c1ccco1)C(=O)N[C@@H]1CCCc2ccccc21 21747164 GIDITEYCFNRYDT-WMLDXEAASA-N 384.432 2.525 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 52635615 QSJMVXCHNOYJIR-GFCCVEGCSA-N 379.819 2.857 0 40 GFAB COC(=O)c1cc(NCc2ccc(OC)cc2OC)ccc1N1CCOCC1 4386311 YYJJQOBUSAORLM-UHFFFAOYSA-N 386.448 2.939 0 40 GFAB CCOc1cccc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)c1 4984864 VEZMTNWDSBWVEY-LJQANCHMSA-N 393.443 2.675 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 6706856 ARJFOAUKAYAWOY-UHFFFAOYSA-N 388.367 2.631 0 40 GFAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 21872998 YWLMQYWYJTXITE-VPWXQRGCSA-N 382.460 2.787 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10357881 RECICESJLGCBEL-UHFFFAOYSA-N 395.440 2.839 0 40 GFAB COc1ccc(OC[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 10542534 SWRDLJPUSITLHF-CYBMUJFWSA-N 375.421 2.918 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 47173305 TXBNYRJFAYNCPD-UHFFFAOYSA-N 382.485 2.949 0 40 GFAB CCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 8686573 POGDIIFPZYLQSV-UHFFFAOYSA-N 399.472 2.789 0 40 GFAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCO[C@H]2CCCC[C@@H]21 69946640 MDXCPJOOEZRTEC-OALUTQOASA-N 377.916 2.632 0 40 GFAB Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 22310917 IGDYAVLFLZNMCY-UHFFFAOYSA-N 376.478 2.793 0 40 GFAB Fc1cccc(-c2nnn(CN3CCN(Cc4ccc(Cl)s4)CC3)n2)c1 22782899 DDEQDVRPARQGFL-UHFFFAOYSA-N 392.891 2.969 0 40 GFAB O=C(CN1CCN(Cc2ccccn2)CC1)NCC12CC3CC(CC(C3)C1)C2 22800952 SDBAOYJXFCPZPX-UHFFFAOYSA-N 382.552 2.532 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)cc1F 12535531 ARJIWPUVEPHACI-UHFFFAOYSA-N 384.411 2.775 0 40 GFAB COc1ccc(F)cc1CN1CCC(NS(=O)(=O)c2cccs2)CC1 24757764 YLQBCQCYSHWLIQ-UHFFFAOYSA-N 384.498 2.839 0 40 GFAB C[C@@H](C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)n1c(=O)oc2ccccc21 25011238 SLKWTGDWYCMBMO-KGLIPLIRSA-N 377.404 2.614 0 40 GFAB Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 113943438 HGKGNQWQFJISFK-UHFFFAOYSA-N 390.461 2.909 0 40 GFAB COc1ccc([C@H](C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)cc1OC 102939176 GKPCWXUGSYMKJL-SFHVURJKSA-N 386.356 2.639 0 40 GFAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)/C=C/c1ccsc1 25702224 GUTAVBXQPOPAOU-BQYQJAHWSA-N 383.517 2.564 0 40 GFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(OC)c1 3208376 GSZVPWLHMUAWIG-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 27234596 SNNQBPCMVBCBIR-AWEZNQCLSA-N 383.423 2.956 0 40 GFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 12649082 CFNMPRLGUSRVIK-UHFFFAOYSA-N 398.444 2.911 0 40 GFAB C[C@H](C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)c1ccccc1F 108991018 IDMLNQCHURQBAW-AWEZNQCLSA-N 380.423 2.790 0 40 GFAB CCN(CC)C(=O)CCCN1C(=O)[C@@H](n2cnnn2)[C@@H]1c1ccc(C(C)C)cc1 58154987 NKOFFZUYMFRAPE-PMACEKPBSA-N 398.511 2.570 0 40 GFAB O=S1(=O)CCCN1c1ccc(F)c(Nc2nccc(C(F)(F)F)n2)c1 58194439 BGZKBUHGDXVWJF-UHFFFAOYSA-N 376.335 2.918 0 40 GFAB CC1CCN(C(=O)COC(=O)c2cccc(I)c2)CC1 3302687 VJASWBIDMCYGSB-UHFFFAOYSA-N 387.217 2.707 0 40 GFAB CCOc1ccc(NC(=O)Cn2ncc(-c3ccc(Cl)cc3)nc2=O)cc1 44804110 LEMKWACKLLBQEP-UHFFFAOYSA-N 384.823 2.996 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(F)cc1 20636733 PZPLRGQCASCTNS-RBUKOAKNSA-N 395.434 2.590 0 40 GFAB COc1ccccc1CNC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22385611 KTDLIPIRUSEENL-UHFFFAOYSA-N 390.505 2.901 0 40 GFAB COc1ccccc1COC[C@@H](O)CN[C@@H](c1ccc(F)cc1)c1nccn1C 28657712 VUPDWVWIPAJFIH-FPOVZHCZSA-N 399.466 2.825 0 40 GFAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 12852790 GWZXKAPREPSMKR-UHFFFAOYSA-N 391.475 2.998 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCC1CCCC1 12815549 KWCHUNPDCAKMNK-UHFFFAOYSA-N 380.510 2.925 0 40 GFAB Cc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 12883835 MSHCNHFAICVGJM-HNNXBMFYSA-N 392.452 2.844 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)c1C 3448872 NVDBUGPXHWNUPK-IAGOWNOFSA-N 380.444 2.613 0 40 GFAB C[C@@H]1CN(C(C)(C)CNC(=O)COCc2nc3ccccc3s2)C[C@@H](C)O1 25407803 ONCQBWDHQGMOGV-HUUCEWRRSA-N 391.537 2.817 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@H](O)COCc1ccccc1F)C2=O 8884057 MUNTWGZPNIUVTQ-IVZHQMGZSA-N 392.471 2.840 0 40 GFAB Cc1cc(=O)n(CC(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)c(=O)[nH]1 5266918 IGVXJSQYQKBPBA-UHFFFAOYSA-N 385.851 2.848 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCc2ccccc2)cc1 9335832 ABWPFJXFJKONPN-UHFFFAOYSA-N 389.521 2.759 0 40 GFAB CCCN(Cn1nc(/C=C/c2ccccc2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 14197184 FGDKUVNARITAEA-FDMDGMSGSA-N 392.550 2.968 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc21 14166947 OINNIAJBULXQDC-UHFFFAOYSA-N 382.485 2.938 0 40 GFAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 4555461 XJGAVKNMZSFJPU-HOCLYGCPSA-N 397.427 2.871 0 40 GFAB COc1ccc([C@H](CNC(=O)Cc2noc3ccccc23)N2CCOCC2)cc1 14228634 XIRHRWXYGCPHAE-FQEVSTJZSA-N 395.459 2.569 0 40 GFAB Cc1nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c2c3c(sc2n1)CCC3 14233608 IGNZQHOXHKPTPO-AWEZNQCLSA-N 386.521 2.564 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 5450228 HNVKPLDWELVGDU-KRWDZBQOSA-N 392.820 2.780 0 40 GFAB COc1ccc(C2(CNC(=O)N[C@@H](CC(C)C)C(=O)O)CCOCC2)cc1 6624157 KWNFHQNZAIVILS-KRWDZBQOSA-N 378.469 2.542 0 40 GFAB biogenic COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 4702415 XAVVCGGMYMMXGN-ATTDUZETSA-N 396.399 2.640 0 40 GFAB COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)cc1 4884580 LPRVRELEBBRKJN-IBGZPJMESA-N 387.461 2.764 0 40 GFAB COC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(OC)c1 7293732 DXPJKJABKLJVBX-CYBMUJFWSA-N 398.415 2.625 0 40 GFAB Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3CN(Cc4ccccc4)CC[C@@H]32)c1 306139001 SMPVPGAHMBZFIW-SFTDATJTSA-N 398.528 2.509 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H](c1ccccc1)C1CC1 9936692 JTSNFJFJYVFWQZ-IBGZPJMESA-N 387.505 2.887 0 40 GFAB Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2c(C)nn(C)c2C)N2CCOCC2)s1 89656323 CESDYLLQZROAJP-WMLDXEAASA-N 390.553 2.700 0 40 GFAB O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN1c1ncnc2ccccc12 89872905 WAFCIZPFLVORLB-SFHVURJKSA-N 390.422 2.930 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1 22227274 DMCKRDDTKJMBIQ-UHFFFAOYSA-N 382.432 2.624 0 40 GFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 71335506 MNGMUAUTOWAXPE-OAQYLSRUSA-N 394.519 2.859 0 40 GFAB COc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1NC(C)=O 224043840 CNXLJTKGKPUNMF-UHFFFAOYSA-N 392.477 2.628 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225636964 BEOBPCQHYPLREI-SFHVURJKSA-N 377.400 2.547 0 40 GFAB CC[C@H](C(=O)NCCOc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 224299581 ZDXBGQGKZGHRSW-GOSISDBHSA-N 394.468 2.566 0 40 GFAB Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1cccc(Br)c1)CS2 90609563 OVOWXCPYNLNXTH-SNVBAGLBSA-N 380.267 2.675 0 40 GFAB COCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccccc3C(C)=C[C@@H]21 96551386 KBFDNAPGBWEVPX-ZSYWTGECSA-N 396.487 2.524 0 40 GFAB Cc1ccsc1C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 96225309 BXJKHAUPSHEBRT-HXUWFJFHSA-N 398.488 2.519 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCSCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 253596556 SRWOMQHWEUBBOO-ACRWPFGISA-N 386.517 2.907 0 40 GFAB COCC(=O)N1CCC2(CC1)CO[C@@H]1c3ccc(O)cc3OC(C)(C)[C@H]1C2 257244872 INEACYRKQWXSQE-QFBILLFUSA-N 375.465 2.896 0 40 GFAB Cc1ocnc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 257290494 QDEIYSOMRLHNND-LJQANCHMSA-N 391.855 2.813 0 40 GFAB NC(=O)CCC(=O)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 257240106 HSCCVEHVJAEHDD-FXAWDEMLSA-N 383.467 2.963 0 40 GFAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4ccnc(C)n4)C3)ccc2c1N 257309830 UCOHRPLIGXWUKJ-FQEVSTJZSA-N 396.520 2.895 0 40 GFAB Clc1ccccc1OCCc1cc([C@H]2CN(Cc3ncc[nH]3)CCO2)n[nH]1 257340467 ZGGNUJINTZEQRC-GOSISDBHSA-N 387.871 2.981 0 40 GFAB CC(C)(C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2cccnc2)C1)c1cccnc1 628215423 JCWCBRYWZYIUFB-LJQANCHMSA-N 394.519 2.839 0 40 GFAB Cc1cc(C)n2nc(C(=O)N3CCOc4c3cccc4C(F)(F)F)nc2n1 653930014 APXUPHACEWHHMR-UHFFFAOYSA-N 377.326 2.799 0 40 GFAB Cc1cccc([C@H](NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C(F)(F)F)c1 666371751 AAKSCOZKTGBNGB-XBFCOCLRSA-N 378.416 2.863 0 40 GFAB COc1ccc([C@H](CN2CCCC2)NC(=O)c2c3c(nn2C)CCCC3)cc1 679412530 WUIYRDJZOZIUOT-FQEVSTJZSA-N 382.508 2.874 0 40 GFAB Cc1c(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cnn1-c1ccccc1 96104301 YRRNOJZMJWGDPT-UHFFFAOYSA-N 399.447 2.618 0 40 GFAB COCC1(C2CCC2)CN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)C1 585098792 BDZWJJOAKSCGQP-UHFFFAOYSA-N 399.535 2.997 0 40 GFAB Cc1cc(Br)c(O)c(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 58405780 IVJLCDZIWJKMNP-LBPRGKRZSA-N 391.269 2.652 0 40 GFAB Cc1sc2ncn(CCC(=O)N3CCN[C@@H](c4ccccc4)C3)c(=O)c2c1C 582948717 LQYGMOZJYWTKBI-QGZVFWFLSA-N 396.516 2.638 0 40 GFAB CN(CC(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2)C1CCCC1 1615121051 MJXFNKVZHXTEET-HSZRJFAPSA-N 399.535 2.676 0 40 GFAB COCCCNC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12226734 FBCATISQYSJXQE-UHFFFAOYSA-N 376.428 2.973 0 40 GFAB CCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3cc(OC)ccc3c2)C1=O 12751652 WNEKIHQXSOHYRF-OAQYLSRUSA-N 383.448 2.532 0 40 GFAB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 13580958 VOHOWHCNLCCORM-UHFFFAOYSA-N 380.441 2.656 0 40 GFAB COc1ccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 19553075 QPAQTGMMWDLETF-UHFFFAOYSA-N 396.472 2.922 0 40 GFAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1cnc(N(C)C)nc1)C2 19585439 RXCGKGKDKBOLKU-HXUWFJFHSA-N 396.491 2.545 0 40 GFAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)c2cnccn2)N1Cc1ccccc1F 19713800 PXXQWHAECPIGNI-MOPGFXCFSA-N 382.439 2.802 0 40 GFAB Cc1c(C(=O)OCC(=O)NC(C)(C)C)sc2nc3n(c(=O)c12)CCCCC3 11062110 HTGCRDODYWMBAS-UHFFFAOYSA-N 391.493 2.564 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2cccc(C)n2)CC1 12144075 BIORGJXWJTWGGV-UHFFFAOYSA-N 392.503 2.689 0 40 GFAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N1CCCC1 905404 SXHLBYWWLUKFAR-CYBMUJFWSA-N 378.523 2.900 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N[C@@H]1CCCc2ccccc21 5190599 RXEZPZONHYRULC-HXUWFJFHSA-N 399.454 2.776 0 40 GFAB Cc1cc(C(=O)CN2CCc3ccccc3C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 34892245 WTLLMRXZZWAYMR-LJQANCHMSA-N 386.517 2.706 0 40 GFAB O=C(c1cc2ccccc2oc1=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238880907 PFOBDJMGYINGRF-JTQLQIEISA-N 379.294 2.825 0 40 GFAB COc1cccc(OCC(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c1 36700028 CFIAMGYLNPUIQO-OAQYLSRUSA-N 384.476 2.654 0 40 GFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2c(F)cccc2Cl)CC1 43986718 CPPOSMMAZSBBPH-UHFFFAOYSA-N 396.875 2.921 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255518 SBXUBYHPPRSNFU-HNNXBMFYSA-N 387.436 2.919 0 40 GFAB O=C(COC(=O)c1cccnc1SCC(=O)N1CCCC1)c1ccccc1 215690097 AWYFLWIUWQTIPR-UHFFFAOYSA-N 384.457 2.836 0 40 GFAB CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 40090189 KTIZFRLLJBSHFZ-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2OC)c1 30831903 TVCSNTUPELBELH-UHFFFAOYSA-N 384.432 2.961 0 40 GFAB CCN1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441804 UOIPUVKKBLCBKB-ROUUACIJSA-N 385.961 2.567 0 40 GFAB CC(C)c1cccc(N2C[C@@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1 32755437 ITNOMWRRXPXDHN-KRWDZBQOSA-N 398.532 2.968 0 40 GFAB Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1Cc1ccccc1 2620028 LVVDFJXCZHLIES-UHFFFAOYSA-N 396.472 2.772 0 40 GFAB Cc1ccc(NC(=O)CN(CCO)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 2633156 HTBFDXZFDDYOQD-UHFFFAOYSA-N 396.896 2.579 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc43)C2)cc1 1325241 DPOVUMICDGTIFQ-SFHVURJKSA-N 384.501 2.985 0 40 GFAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1(N2CCOCC2)CCCC1 78879163 YFPGBMMMMBJRQS-MRXNPFEDSA-N 385.508 2.798 0 40 GFAB Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2cnc3ccccn3c2=O)cc1 32900187 GNCPMYLIHSXQBJ-GOSISDBHSA-N 393.443 2.816 0 40 GFAB O=C(COC(=O)COc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1 7736011 AVYKLSQOIKWESX-UHFFFAOYSA-N 381.306 2.584 0 40 GFAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2)n2nnnc2N3)cc1 10295697 PIBZDSCEPXWROY-GOSISDBHSA-N 387.403 2.929 0 40 GFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2C(=O)CN(C)C)cc1 100753426 SMXABMFKUMWJRQ-DNVCBOLYSA-N 391.475 2.555 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2ccnc(Cl)c2)n([C@H]2CCS(=O)(=O)C2)n1 22615070 GXGKLZILFXLONM-LBPRGKRZSA-N 396.900 2.841 0 40 GFAB CCCCN(C)C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 22968572 VHMGTDXAKYNYLU-UHFFFAOYSA-N 398.525 2.555 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23018641 WTOXZMIWWOWBHL-HUUCEWRRSA-N 386.473 2.557 0 40 GFAB C[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(N)=O)C(=O)c1c[nH]c2ccccc12 23043195 XEUUABXDPWOTDD-FZKQIMNGSA-N 379.416 2.562 0 40 GFAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)/N=c1/sccn1C 105763871 SBGXCZHTQYIXMF-LAOATZEHSA-N 375.538 2.871 0 40 GFAB CCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1cccc(Cl)c1 25344879 JFVVRVYKSCKFAU-UHFFFAOYSA-N 396.882 2.841 0 40 GFAB Nc1cc(N)nc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 12528586 WDRXVHWHMXLZJO-UHFFFAOYSA-N 389.868 2.963 0 40 GFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2ccnc2)nc1 25537816 UYSNVDDXQXKYKJ-UHFFFAOYSA-N 384.823 2.664 0 40 GFAB O=c1[nH]c2ccccc2n1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 25665392 JYJHJPJGGXLTBU-UHFFFAOYSA-N 377.370 2.523 0 40 GFAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCC[C@@H](O)C1 56802146 GWPXNJWSEITJMV-MRXNPFEDSA-N 386.414 2.920 0 40 GFAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)N1CCOCC1 12529789 BXBHGUCENGPCNG-UHFFFAOYSA-N 382.283 2.790 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccc4O)CC3)CC2=O)c1C 26525570 MSMGVMJYQJMWCO-GOSISDBHSA-N 393.487 2.711 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N2CCc3ccccc32)c1=O 57526143 RANAUAUODPPAEE-UHFFFAOYSA-N 391.471 2.799 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57522261 BNOZRZXSZRFRQQ-UHFFFAOYSA-N 395.390 2.783 0 40 GFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3272874 KVLJKDXUGZFYOJ-OAHLLOKOSA-N 379.416 2.668 0 40 GFAB O=C(NCCc1cccs1)[C@@H]1CCCN(Cc2nc(-c3ccncc3)no2)C1 62022930 LVRFRLNWNXPUTL-MRXNPFEDSA-N 397.504 2.764 0 40 GFAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(N2CCCCCC2)cc1 58020254 NVTAVEJMTBHJTP-UHFFFAOYSA-N 394.523 2.618 0 40 GFAB CCC(CC)NC(=O)COC(=O)c1cccc(I)c1 3293973 HOFNRCGDIYSSNQ-UHFFFAOYSA-N 375.206 2.753 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 58283475 MRKAWECRIYHUIO-IRXDYDNUSA-N 379.298 2.927 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 28105576 FBLVUHTZGTUILR-OAHLLOKOSA-N 394.479 2.617 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F 12761189 MGXCJSXFWXHZRX-HNNXBMFYSA-N 398.406 2.567 0 40 GFAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(N)=O)CC1 12791411 GFUIKKDSBYDJPL-SECBINFHSA-N 377.794 2.883 0 40 GFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-n2ccnc2)cc1 13041114 WUNMGILYEOIDHV-OAHLLOKOSA-N 398.488 2.614 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Cl)cc1)O2 38833910 QGPUHLOJCUYWSY-INIZCTEOSA-N 380.853 2.814 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)cc1 6138394 CPTAMMCKWFNNPD-ZDUSSCGKSA-N 383.477 2.683 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(-c3cccnc3)o2)c1C 5213986 YIJVIDXGKMTOMH-UHFFFAOYSA-N 397.460 2.595 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1Cl 408616927 BPKQEFLQYCGFOR-ZDUSSCGKSA-N 388.917 2.664 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 6471296 UZGYIVWLUCNVLZ-UHFFFAOYSA-N 399.266 2.748 0 40 GFAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc2c(c1)OCCCO2 6422961 PNBLJLDDBKRKTJ-UHFFFAOYSA-N 395.367 2.750 0 40 GFAB CC(C)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 8883825 DLEACGPARBOCEE-LSDHHAIUSA-N 379.461 2.747 0 40 GFAB Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)c1noc(CN(C)C)n1 65756954 PJMPESNXOJMOET-UHFFFAOYSA-N 383.452 2.689 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)ccc1C 6608887 DZZNATMAMGHLRL-GOSISDBHSA-N 376.453 2.849 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)Nc1cc(Cl)ccc1-n1cncn1 14632763 FDGZGPUYGCDYSL-UHFFFAOYSA-N 383.795 2.857 0 40 GFAB CCN(CC(=O)Nc1ccc(Br)cc1)CC(=O)Nc1cc(C)on1 6875948 CPQHBEYXLRLIHP-UHFFFAOYSA-N 395.257 2.645 0 40 GFAB C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1cc(Cl)ccc1CC21C(=O)N(C)C(=O)N(C)C1=O 4915712 VELZWUNEVHWCSX-XHBSWPGZSA-N 389.883 2.784 0 40 GFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C 5992161 OFYQTUKONXURFI-OAHLLOKOSA-N 389.473 2.982 0 40 GFAB COc1ccc(NC(=O)c2ccc(NC(=O)Cn3ccccc3=O)cc2)cc1 7518385 PFEHSYZBKDTUQU-UHFFFAOYSA-N 377.400 2.748 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)[C@H]1COc2ccc(Cl)cc2C1 7544305 YWDPJUHYTLLQPZ-LLVKDONJSA-N 376.821 2.704 0 40 GFAB COCC(=O)Nc1cn[nH]c1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1 96000137 DQCISBIYZFDOTL-CYBMUJFWSA-N 377.514 2.954 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)NCCCn3nc(C)cc3C)CC2=O)c1 8394223 VUJVYHGRBXYMFH-MRXNPFEDSA-N 386.521 2.781 0 40 GFAB CC(=O)c1cccc(NC(=O)N(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)c1 72314083 URPQPBFLCMBCGA-SFHVURJKSA-N 379.416 2.681 0 40 GFAB C[C@@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCc1cccc(F)c1 84139486 XORSHPPSZMNGSR-HWPZZCPQSA-N 383.778 2.841 0 40 GFAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccc(Cl)cc1 94992958 UZCAAWPITVXNPK-QGZVFWFLSA-N 385.851 2.530 0 40 GFAB Cn1cc(CCC(=O)N2CCC([C@@H](CC(=O)O)c3ccc(F)cc3)CC2)cn1 95364998 ASFOVDVYBCEZCG-IBGZPJMESA-N 387.455 2.989 0 40 GFAB C[C@@]1(CO)CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl 84673407 RPEIYRFMXCDQNE-STQMWFEESA-N 382.707 2.932 0 40 GFAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c2)n1 95424044 VLDGLHJDGRUYNH-FQEVSTJZSA-N 377.444 2.974 0 40 GFAB COc1cccc(-c2noc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n2)c1 9990818 ZUOZKMBTTMHOGS-OAQYLSRUSA-N 390.399 2.639 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408586839 CCEGDGHCTAJBEN-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 20457592 AVCPHWCINCGIEH-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)cc1C 408560329 OMTVMDZUMJVISU-KRWDZBQOSA-N 394.537 2.807 0 40 GFAB CC(C)C(=O)N1CCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1 32768641 YOHOMASRECZTED-UHFFFAOYSA-N 376.457 2.614 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(Cc2cc(C)on2)CC1 39519627 DRUDKCRXIZULNB-UHFFFAOYSA-N 392.887 2.710 0 40 GFAB Cc1cc2c(N3CCN(C(=O)[C@@H](C)Oc4ccccn4)CC3)ncnc2s1 520728287 BOVFNDZUSIUAGB-CQSZACIVSA-N 383.477 2.511 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H](C)N1Cc3ccccc3C1=O)CC2 524734145 BMXMCXHNAOLJFY-UGSOOPFHSA-N 380.444 2.852 0 40 GFAB COc1ccc(OC)c(-n2nnnc2S[C@@H]2CCc3ccccc3NC2=O)c1 32106228 IGRFUWQFBCJUEB-QGZVFWFLSA-N 397.460 2.725 0 40 GFAB Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 72384394 YDJKPKYALNQPRO-OAHLLOKOSA-N 381.411 2.929 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640218 ASCORZHFAYJBKP-HNNXBMFYSA-N 396.365 2.811 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)cc1 31154919 LXKJWHYWUSIRBG-HXUWFJFHSA-N 388.471 2.909 0 40 GFAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656001 PEIHLDKGICTAQM-INIZCTEOSA-N 396.882 2.849 0 40 GFAB NC(=O)COc1ccc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 130723964 RYYSVHVTDOROHV-UHFFFAOYSA-N 375.375 2.681 0 40 GFAB O=C(c1cc(F)ccc1Cl)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225784644 MDVAMAIQLCNBDZ-UHFFFAOYSA-N 375.762 2.825 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225207074 GLGGVJGEJYGGPW-INIZCTEOSA-N 384.476 2.800 0 40 GFAB CC(C)Sc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)s1 225652223 TVTVSHHZAHYBFR-UHFFFAOYSA-N 386.524 2.687 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCCN2c3ccccc3C[C@@H]2C)c1 225119461 FAYPNAQAWXVWLZ-HNNXBMFYSA-N 388.489 2.593 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 223014052 JNQLZIPTDJXRIM-GOSISDBHSA-N 384.476 2.936 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccc(F)cc1 242779342 DVXFOUBYECHRGH-UHFFFAOYSA-N 384.860 2.557 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O 248128276 HUNVGBKDDVLBHU-JLMWRMLUSA-N 393.443 2.818 0 40 GFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(OCC2CC2)c1 253397439 FQWYLRLAXYAILQ-IBGZPJMESA-N 393.443 2.866 0 40 GFAB CN(c1ccccc1)c1nc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cs1 623480562 YVELZTYNRSZVRT-QGZVFWFLSA-N 386.521 2.848 0 40 GFAB CCN1CCN(c2ccccc2NS(=O)(=O)Cc2ccc(F)cc2)CC1 55526987 PNYGICSGABSBET-UHFFFAOYSA-N 377.485 2.910 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153342 CIIWVBCDBJJXIF-NRFANRHFSA-N 383.423 2.567 0 40 GFAB COc1cccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)c1OC 2367459 POTZMDFGUFJQTN-XNTDXEJSSA-N 383.404 2.522 0 40 GFAB COc1ccc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 5536343 BSFJSKZPMWFDEP-UHFFFAOYSA-N 382.821 2.792 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2N2CCOCC2)cc1 5392718 WZKLDIVBFHBDJW-UHFFFAOYSA-N 398.488 2.884 0 40 GFAB CN(C)S(=O)(=O)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@H]2CC[C@@H]1C2 12085321 AJPVDXORJPDLSE-NJZAAPMLSA-N 378.416 2.744 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCCc3ccccc3F)n2)c(C)o1 12183759 JQGNNMJMBNLWKY-ZDUSSCGKSA-N 398.438 2.761 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 13624157 PWNRLDPQVXUNFA-CNTRQJEFSA-N 379.416 2.525 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)NC(C)C)c(=O)c23)s1 14122905 NMPLYYKOWHYBFE-UHFFFAOYSA-N 390.490 2.729 0 40 GFAB Cc1ccccc1CNC(=O)Cn1nnc(-c2cccc(C(=O)OC(C)C)c2)n1 15546461 PCTQMAZKJIOHQC-UHFFFAOYSA-N 393.447 2.530 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(C)cc2)c1 17603609 YBYLAIAKNUFGFU-UHFFFAOYSA-N 378.519 2.566 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19079272 NUQUBVNOSDOERA-IFXJQAMLSA-N 384.455 2.783 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19209100 XWKQYSFFCKQMDI-AYMMHLMVSA-N 396.418 2.516 0 40 GFAB COc1ccc2nc(NC3=NCN(CCc4cccs4)CN3)nc(C)c2c1 19332437 VIFPSQLHUUSNQA-UHFFFAOYSA-N 382.493 2.839 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCC(c2nnc3n2CCCCC3)CC1 19335101 LRMPFMFEOKQZNN-UHFFFAOYSA-N 378.473 2.712 0 40 GFAB c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19369615 RCRASJLIYQLENX-NHCUHLMSSA-N 396.539 2.502 0 40 GFAB COc1ccc(-c2ccnc3cc(C(=O)N[C@H](C)c4cnn(C)c4C)nn23)cc1 19716586 SJDWTLVREHXHFL-CYBMUJFWSA-N 390.447 2.938 0 40 GFAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)CC2)c1 19749699 GSUHINJFPWSAOW-LJQANCHMSA-N 398.507 2.662 0 40 GFAB Cc1cc(N2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc(C)n1 19759396 MEEVJMUMOCTRML-HXUWFJFHSA-N 391.475 2.921 0 40 GFAB COC(=O)c1ccc(N2C(=O)C[C@@H](n3cnc4cc(C)c(C)cc43)C2=O)cc1 95482845 AULFYADTTHCAON-GOSISDBHSA-N 377.400 2.944 0 40 GFAB COc1c2ccc(C(=O)N3CCC(COc4cc(C)ncn4)CC3)cc2nn1C 1565523714 YFCBBYLETVCKAZ-UHFFFAOYSA-N 395.463 2.612 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCCC4)cnc32)c(C)c1 4479247 JAPLTKZLPQZLRV-UHFFFAOYSA-N 379.464 2.602 0 40 GFAB CCOc1cc(CNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OC 5123244 OAELEZDAYZQOIW-INIZCTEOSA-N 383.448 2.699 0 40 GFAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1C 10104894 NHIFMKVNKXIIAL-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)Nc3ccc(F)cc3)c(=O)c21 12228485 ILGRACKUZXQULH-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775973082 HLCCAMKFGCKBBI-UHFFFAOYSA-N 378.432 2.531 0 40 GFAB Cc1cc(N2C[C@@H]3CN(c4ccc(Br)cn4)C[C@H]3C2)n2nccc2n1 2298223891 YLHCJLASYOMUSK-KBPBESRZSA-N 399.296 2.768 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 3363859 LZGMTRHJVPZBFE-QFBILLFUSA-N 387.480 2.970 0 40 GFAB aggregator C[C@H]1CN(C(C)(C)CNC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 40039119 PVRMXGKOPGFWNA-CALCHBBNSA-N 385.512 2.559 0 40 GFAB C[C@H]1c2cccc(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)c2O[C@@H]1C 40042731 TVXAJTWIKCWZSC-HZPDHXFCSA-N 394.471 2.973 0 40 GFAB C[C@H]1Oc2c(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cccc2[C@H]1C 40042728 TVXAJTWIKCWZSC-JKSUJKDBSA-N 394.471 2.973 0 40 GFAB Cc1ccc(-c2nnc(CCC(=O)NCc3nnc4n3CCCCC4)o2)cc1 40012934 WKARKDJDKUUIHL-UHFFFAOYSA-N 380.452 2.612 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)NC[C@@H]3COc4ccccc4O3)c(C)n2n1 31040524 MAKMPLLQYPNZES-MRXNPFEDSA-N 380.448 2.543 0 40 GFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 31024331 FQFDBUOFZGDQMF-UHFFFAOYSA-N 390.823 2.882 0 40 GFAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 51163243 RLZVGTCFYBTEFI-UHFFFAOYSA-N 376.478 2.788 0 40 GFAB CC(=O)N[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1F)C1CCCC1 101464688 YMPHUMCYRZKOKU-QGSQVHNNSA-N 375.469 2.859 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2ccccc2)c1 20864018 LZBJBRIULMADCN-UHFFFAOYSA-N 388.489 2.894 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)ccn1 46100526 YTYFVAUAKHLPHP-UHFFFAOYSA-N 394.454 2.747 0 40 GFAB CC1CCN(c2nnc(S[C@@H](C)C(=O)NC(=O)NC(C)C)n2C2CC2)CC1 11986331 SOJKWVZXJMKLNQ-ZDUSSCGKSA-N 394.545 2.564 0 40 GFAB CCOc1ccc(N2C(=O)C[C@H](Nc3cc(NC(C)=O)ccc3OC)C2=O)cc1 2662417 KPDAPVVOJQEFOF-SFHVURJKSA-N 397.431 2.796 0 40 GFAB COc1ccc(S(=O)(=O)NNc2ncnc3sc4c(c23)CCCC4)cc1 907971 KOYLCFMIKZOWHV-UHFFFAOYSA-N 390.490 2.884 0 40 GFAB Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)NC3CC3)c2)cc1F 32809731 GJZIRJIVPMUGQU-UHFFFAOYSA-N 377.441 2.625 0 40 GFAB CCCCCCn1c(SCC(=O)NC(=O)NC)nc2ccccc2c1=O 3515334 VXEYXMFLARDORI-UHFFFAOYSA-N 376.482 2.525 0 40 GFAB COc1c2c(cc3c1[C@@H](C[C@H](O)[C@@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 4061874 TWOLFEWIKVSGFO-OAGGEKHMSA-N 377.481 2.909 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)c(C)c1 6679768 MNPSSULKPQTEKE-UHFFFAOYSA-N 394.518 2.947 0 40 GFAB C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1 104278538 IVZCNSVDJGHLIH-REQQQCDJSA-N 378.450 2.669 0 40 GFAB O=C(c1cccc2cccnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23864867 FXTUEBCOJDLBEN-UHFFFAOYSA-N 375.428 2.922 0 40 GFAB O=C(NCc1ccccc1Cn1cncn1)c1cc(-c2ccc(F)cc2)[nH]n1 25128596 MXQYLFGJJZRITA-UHFFFAOYSA-N 376.395 2.786 0 40 GFAB O=C(Nc1cccnc1N1CCCC1)NC1CCN(Cc2ccncc2)CC1 47540562 BZNQNZJCGIEAIB-UHFFFAOYSA-N 380.496 2.863 0 40 GFAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccncc1 61719495 YCCBQVIDOZHYGG-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB COc1ccc([C@@H](C)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 107542275 AKXSLJPREXHHFZ-QGZVFWFLSA-N 378.476 2.791 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O 57477591 COCBHQSBFXUODT-UHFFFAOYSA-N 385.851 2.890 0 40 GFAB COc1cc(CNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)ccn1 12540389 FGKBBSJFVCMZHW-HNNXBMFYSA-N 377.444 2.607 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)=O)c(C)c2)c1 12520831 PTHJKYMFENHDSS-UHFFFAOYSA-N 376.434 2.849 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1OC 55639605 PVUUBERFQVWIMC-UHFFFAOYSA-N 392.477 2.890 0 40 GFAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1-c1ccccc1 47852868 ZYKBJMYRSVTPEX-DENIHFKCSA-N 380.488 2.821 0 40 GFAB COc1cc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc(OC)c1OC 2390684 FQNRHYYVJFYWPS-UHFFFAOYSA-N 384.392 2.729 0 40 GFAB Cc1nccn1CCCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 84290910 KWXNQCSADJCRFS-UHFFFAOYSA-N 380.539 2.944 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C(F)(F)F)n2C)c1C 3362250 GEJBGICVNMCEJH-UHFFFAOYSA-N 376.360 2.540 0 40 GFAB C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl 12753211 QKGBXSRXTKZPGU-LBPRGKRZSA-N 391.880 2.646 0 40 GFAB CCOc1ccc(NC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc1OCC 11655722 OBPZIJVVEMCQPI-UHFFFAOYSA-N 398.467 2.692 0 40 GFAB COC(=O)[C@](F)(Sc1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F 2501610 NGYNVYHQZLAOJE-AWEZNQCLSA-N 378.347 2.978 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(F)cc2)cc1 12896950 HGPIDPLNEREUMP-UHFFFAOYSA-N 393.484 2.856 0 40 GFAB O=S(=O)(c1ccc(CNc2nc3ccccc3s2)cc1)N1CCOCC1 12942473 ULSYPSXURPOBIF-UHFFFAOYSA-N 389.502 2.929 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 13059610 CRUPRWNEHSFDTO-UHFFFAOYSA-N 388.445 2.858 0 40 GFAB Nc1nccnc1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 5040511 IABLDIRTQPNWGL-UHFFFAOYSA-N 375.599 2.815 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 9337913 AVIRLKNQZNXEGJ-AWEZNQCLSA-N 380.448 2.957 0 40 GFAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1CNS(C)(=O)=O 5324580 JHDTUCVXSXYNHI-UHFFFAOYSA-N 381.461 2.611 0 40 GFAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1cc(-c2ccco2)on1 8918734 YDDUUXSAXLVLCX-UHFFFAOYSA-N 394.475 2.711 0 40 GFAB CSCC[C@H](C(=O)NCc1ccccc1F)N1C(=O)[C@H]2CCCC[C@H]2C1=O 8937067 MDPUBPNLSOIRQR-HLLBOEOZSA-N 392.496 2.739 0 40 GFAB CCOc1ccc(C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 6810302 KVOYBDLVBJSOJO-MRXNPFEDSA-N 377.462 2.816 0 40 GFAB O=C(c1ccco1)N1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 6851108 PNKWDNYGSXHXKN-UHFFFAOYSA-N 390.443 2.941 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cnn(-c3ccccc3)n2)c(C)c1 15768532 TXLLNEOMTROWPB-UHFFFAOYSA-N 377.448 2.903 0 40 GFAB CC(=O)Nc1nc(COC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cs1 8262655 ZXAAVEUNMUCWSI-UHFFFAOYSA-N 379.438 2.969 0 40 GFAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccccc1Oc1ccccc1 8326358 YROVDSVISSAMTA-UHFFFAOYSA-N 387.399 2.860 0 40 GFAB Nc1nccnc1C(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 69569105 XFGVSXLGFQWSLZ-UHFFFAOYSA-N 384.390 2.747 0 40 GFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc2ccccc2n1 17360415 OKSURLOVFBTVRW-UHFFFAOYSA-N 397.456 2.977 0 40 GFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)s1 17333514 IOKVDHGIMAOCHD-UHFFFAOYSA-N 386.926 2.712 0 40 GFAB O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1cccc(F)c1 19814944 ZPXDEFVYXCNBIP-UHFFFAOYSA-N 385.420 2.936 0 40 GFAB CN(C)CCN(Cc1cccc(O)c1)C(=O)/C=C/c1cnc2ccccc2n1 89314289 OILOGNLXMVOCGX-ZHACJKMWSA-N 376.460 2.939 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCc3cc(F)cc(F)c32)c1 89624092 FTCQXNIYVRJQLY-UHFFFAOYSA-N 394.443 2.839 0 40 GFAB Cc1nc(C(=O)N2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)C)nc23)cs1 306139526 SZMGDDOBCPNWCL-UHFFFAOYSA-N 399.520 2.625 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 306134748 NXBRFGVAZMRDIU-SJORKVTESA-N 391.450 2.974 0 40 GFAB CC1CCN(C(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)CC1 36080477 AQWAQMZQFHEVSU-GFCCVEGCSA-N 384.885 2.525 0 40 GFAB CSc1nc(N2CCCCC2)c2cc(C(=O)N3CCN(C)CC3)sc2n1 38280047 RIKSVGJNGVQQGD-UHFFFAOYSA-N 391.566 2.791 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCOCC3)nc2)cc1 72216172 WPYYFTNSTYVGSU-IBGZPJMESA-N 387.505 2.752 0 40 GFAB Cc1ncnc(OCC2CCN(c3ncc(Br)cn3)CC2)c1C 1565520805 RJGHMZJNNBXIPO-UHFFFAOYSA-N 378.274 2.941 0 40 GFAB O=C(c1ccccn1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 72334983 KGLXJIIDKRWPJB-UHFFFAOYSA-N 376.342 2.558 0 40 GFAB Cc1ccc(N2CCN(C(=O)c3ccc(-n4nnnc4C)cc3)CC2)c(C)c1 71280367 ORUOHBRSNIMXAY-UHFFFAOYSA-N 376.464 2.550 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1F 223314421 LVKKUBATBPYHHA-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 44640416 ACLXNFBJDHXYRF-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB Nc1nnc(COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)s1 222642186 KBVDPPSIGCZJJJ-UHFFFAOYSA-N 388.902 2.527 0 40 GFAB Cc1c(NC(=O)CCCC(=O)Nc2cccnc2)c(=O)n(-c2ccccc2)n1C 199419331 FBOJBOOBEGFZJE-UHFFFAOYSA-N 393.447 2.627 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211827 MMTBUOZOMJDMKN-KRWDZBQOSA-N 396.472 2.627 0 40 GFAB CN(C)C(=O)CN1CCC(c2nc3ccc(NCc4ccccc4)cn3n2)CC1 96267303 FCMFXPSZFPZPLR-UHFFFAOYSA-N 392.507 2.609 0 40 GFAB Cc1noc([C@H](NS(=O)(=O)c2sccc2Cl)C2CCOCC2)n1 584273279 AQFKZBQHXBFLBW-LLVKDONJSA-N 377.875 2.539 0 40 GFAB CC(C)[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O 96118048 MBDSIQKIUYRWIV-FQEVSTJZSA-N 376.460 2.902 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)s3)C[C@H]1CN(CCOC)C2 96055962 QUTRXEHLCDIKSI-PXNSSMCTSA-N 380.554 2.780 0 40 GFAB O=C(C[C@H]1NCc2ccccc21)N1CCn2c(Cc3cccc(F)c3)nnc2C1 662581541 SNQNSPAKSRRCQB-LJQANCHMSA-N 391.450 2.585 0 40 GFAB Cc1nnc(N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)s1 583414342 WZNMIAZKARUCKQ-UHFFFAOYSA-N 384.227 2.712 0 40 GFAB Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3Br)C2)cn1 681290586 QYTYQFXJIHCDSS-LBPRGKRZSA-N 384.299 2.751 0 40 GFAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 60127381 QMKXBSHJMMSAIY-UHFFFAOYSA-N 388.445 2.848 0 40 GFAB O=C(c1ccnc(OCc2ccccc2)c1)N1CCCC[C@@H]1CN1CCOCC1 95957443 JEMXBZBEQOMWIU-OAQYLSRUSA-N 395.503 2.988 0 40 GFAB Cc1cccc(C(=O)N2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)n1 1615160786 KALRGFQJWKOPHJ-LEWJYISDSA-N 398.503 2.750 0 40 GFAB O=C(NCc1c(F)cccc1Cl)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000165 BSTSFMYMNVHQLV-CXAGYDPISA-N 391.830 2.763 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 19555152 VCSWDTDOUOQIFC-QGZVFWFLSA-N 399.491 2.660 0 40 GFAB CCn1nc([C@H](C)C(=O)N2CCC(CCN(C)C)CC2)c2ccccc2c1=O 19660548 ANZCAWGZIQQVOS-INIZCTEOSA-N 384.524 2.710 0 40 GFAB COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CN(C)CC4)[nH]n2)c(OC)c1 19662666 LIHRVLFIWSVJCG-UHFFFAOYSA-N 399.476 2.791 0 40 GFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)c1cccc(OC)c1)CC2 19711447 HFAYJWWKWYVXQX-INIZCTEOSA-N 395.507 2.535 0 40 GFAB O=C(COc1ccccc1F)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 19746076 BSCXYWAOXLZYPX-UHFFFAOYSA-N 386.358 2.818 0 40 GFAB Nc1cc2nn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2cc1Cl 226305641 NSRKGNXPTISUHD-UHFFFAOYSA-N 391.884 2.831 0 40 GFAB Cc1cc(-c2cnc(C)nc2CCNC(=O)CCc2ccc3c(c2)OCO3)on1 12337734 MJVSSBHDMCZMTH-UHFFFAOYSA-N 394.431 2.769 0 40 GFAB CCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c1=O 22696996 KXWJHPORDOIBTI-LJQANCHMSA-N 375.900 2.872 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c1 1888853282 OLXWEEQIAUNWPD-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB CC(C)(C)c1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(C2CC2)n1 1888899212 LPZAMKWJWIEFJK-UHFFFAOYSA-N 378.484 2.644 0 40 GFAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCC(C(=O)NC4CC4)CC3)ncc12 2087132251 BDBQOJCXYJLGMW-UHFFFAOYSA-N 395.507 2.710 0 40 GFAB CN(C(=O)c1cccc(F)c1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565523496 OYRHVERMVIOMAS-UHFFFAOYSA-N 382.443 2.522 0 40 GFAB CC1CCN(C(=O)CSc2ncnc3c2nnn3Cc2ccccc2)CC1 4166294 IOLWDCOFRFDOQE-UHFFFAOYSA-N 382.493 2.620 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCC2)c1 8899504 CIRZFADALGOZIC-MRXNPFEDSA-N 396.534 2.881 0 40 GFAB CCOc1ccc(C(=O)NCc2nnnn2-c2ccc(F)cc2)cc1OCC 17315482 DRANWYCMOMQBKJ-UHFFFAOYSA-N 385.399 2.529 0 40 GFAB O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2C12OCC=CCO2 19874718 JNWFAPKWYJLKPK-UHFFFAOYSA-N 391.471 2.569 0 40 GFAB Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nn1 1775969414 QCNPYSVZDCIGTF-UHFFFAOYSA-N 379.457 2.712 0 40 GFAB Cc1ccc(=O)n(CC2CN(C(=O)C3c4ccccc4Oc4ccccc43)C2)n1 1775966680 TXUOMUOKFFFGNP-UHFFFAOYSA-N 387.439 2.948 0 40 GFAB O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1cccc2nsnc12 575619526 GPDDNZQGSFYBSZ-NSHDSACASA-N 383.520 2.587 0 40 GFAB CNc1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)cn1 19592364 DZCPLXIPZGSUAS-OTWHNJEPSA-N 383.471 2.798 0 40 GFAB CC(C)[C@@H](C(=O)NCC1CCC(C(=O)O)CC1)n1cnc2ccccc2c1=O 13540697 UXTAEYAURAEDPJ-JMLCCBQJSA-N 385.464 2.601 0 40 GFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Nc1nc2ccccc2s1 10464268 IOKKYHLIVCKVCJ-UHFFFAOYSA-N 390.490 2.868 0 40 GFAB COc1cc(C)c(S(=O)(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1OC 40071730 UJGAKGOEADNUHL-MRXNPFEDSA-N 396.484 2.733 0 40 GFAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O 40127779 XGMHZXQJFCRNCD-LJQANCHMSA-N 391.349 2.900 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccc(C)cc2)cc1 40104121 WQVKIYGXHFUXAH-UHFFFAOYSA-N 377.466 2.841 0 40 GFAB CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3cccc(F)c3)n2)c1 40286577 PHVCJBXCIPOLEX-UHFFFAOYSA-N 384.367 2.676 0 40 GFAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1 40287314 HGVDACIHHCDETO-INIZCTEOSA-N 380.379 2.999 0 40 GFAB Cc1nc2oc3c(=O)n(CC(=O)Nc4nccs4)cnc3c2c2c1CCCC2 32103887 LXRTVGQCYHFOEZ-UHFFFAOYSA-N 395.444 2.820 0 40 GFAB Cc1ccc(NC(=O)c2nnn3c2NC(C(=O)O)=C[C@H]3c2ccccc2)cc1 101353382 RSWLFTAREAHWCY-INIZCTEOSA-N 375.388 2.822 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 1357658 BLAOZTMTPWSXMP-DNVCBOLYSA-N 394.537 2.791 0 40 GFAB CC(=O)NC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 79096992 LDECNSXRYBYICD-MSOLQXFVSA-N 395.544 2.977 0 40 GFAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 79475903 MTOANHUOZFUABC-LJQANCHMSA-N 386.492 2.874 0 40 GFAB O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)NCCc1ccccn1 79489694 SFSYZCGNGQDUOV-UHFFFAOYSA-N 398.466 2.741 0 40 GFAB O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1cccc(Cl)c1 2652381 VPVFTPMHDVSRGU-UHFFFAOYSA-N 397.818 2.741 0 40 GFAB CC(C)n1ncc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cnc21 32865802 PHQYOWUIJJIWSH-UHFFFAOYSA-N 377.448 2.610 0 40 GFAB COc1cccc(CN(C)C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 52587300 BZUMWNKNGDWFNI-UHFFFAOYSA-N 393.443 2.603 0 40 GFAB COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc(OC)c1O 4519960 QFAOYPTXFCKKDR-AWEZNQCLSA-N 399.374 2.880 0 40 GFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(OC[C@H]2CCCO2)cc1 4988666 NESPHYAHCOXFSB-MRXNPFEDSA-N 381.384 2.655 0 40 GFAB CCCCC1CCC(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 6427097 VTOCCRKIYOCVMK-UHFFFAOYSA-N 396.509 2.812 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)C(=O)O 6658596 HNUPIHOETWAZJL-XTUQQUOLSA-N 399.491 2.818 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(OC)c2)cc1 7217032 YSACUDIQYWUFIR-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 104272369 CRRARLBQFDLNJC-ZRNYENFQSA-N 387.439 2.572 0 40 GFAB O=C(NCCC1=CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 23053429 AKLWYWSWQFQCQM-GOSISDBHSA-N 380.485 2.986 0 40 GFAB Cc1c(NC(=O)CCc2nc(-c3ccco3)no2)c(=O)n(-c2ccccc2)n1C 21524062 KJZTYNPIBMRPQP-UHFFFAOYSA-N 393.403 2.699 0 40 GFAB COc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1OC 23106174 JZXILXZUQKNVAY-SFHVURJKSA-N 388.439 2.646 0 40 GFAB C[C@H](NC(=O)COC(=O)CCC(=O)c1ccccc1)c1ccc2c(c1)OCO2 23567174 KJSYEBTWTIIELM-AWEZNQCLSA-N 383.400 2.799 0 40 GFAB O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 54628655 UPYMHPYAEMHZLF-HNNXBMFYSA-N 395.850 2.590 0 40 GFAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 3271275 SVQRNOBTBZQTQX-UHFFFAOYSA-N 387.363 2.742 0 40 GFAB COc1cc(CNC(=O)NCC(=O)Nc2ccccc2)ccc1OC(F)F 56372605 ZUPQORGCONXKOV-UHFFFAOYSA-N 379.363 2.735 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3cccs3)CC2)cc1 35354827 QESKUNLIKVVXLE-UHFFFAOYSA-N 399.516 2.802 0 40 GFAB CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 48299836 ZEADKUKFDBYYMR-YJBOKZPZSA-N 386.496 2.750 0 40 GFAB Cn1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1 44321396 SNLCYFZDTMMYJA-HXUWFJFHSA-N 391.427 2.955 0 40 GFAB COc1ccc(NC(=O)Cn2c(SC)nc3ccsc3c2=O)c(OC)c1 57504819 JUNVTRDJLFLDDT-UHFFFAOYSA-N 391.474 2.836 0 40 GFAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3onc(C)c3C)cs2)C1 44891326 MWYXZEZJQSJDES-CYBMUJFWSA-N 398.506 2.984 0 40 GFAB COCCN1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 58393327 PWWOSUYPEXPBDM-GFCCVEGCSA-N 375.296 2.988 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1 408705845 ONZRIIDMUOFAEO-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)NCCCc1nc2ccccc2[nH]1 11485890 JNLULGUUOYYPEK-UHFFFAOYSA-N 381.432 2.902 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccnc(-n3ccnc3)c2)C(C)C)cc1 62580844 XWRWYHSLFUKBLO-FQEVSTJZSA-N 391.475 2.647 0 40 GFAB C[C@H](C(=O)NCc1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 12902669 DYEHXHHMFKVJLY-MRXNPFEDSA-N 381.476 2.748 0 40 GFAB O=c1c(C(F)(F)F)nc2ccccc2n1C[C@@H](O)COCc1ccccc1 12950506 DFIACTBXSMMZBX-CQSZACIVSA-N 378.350 2.993 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)Nc1ccccc1Cl)C2=O 13041576 QHTWWSJJCUZPHS-BFUOFWGJSA-N 392.887 2.669 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)Cc1cc(=O)n2c3c(sc2n1)CCCC3 8405937 PKXFCBISGXMFQT-UHFFFAOYSA-N 383.473 2.996 0 40 GFAB O=C(Nc1ccc(F)cc1C(=O)N1CCN(c2ccccn2)CC1)N1CCCC1 49551214 KUEMYMADZZAWTK-UHFFFAOYSA-N 397.454 2.811 0 40 GFAB O=C(Cc1cn2ccsc2n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 18045644 MDKUNAKTORVRCT-UHFFFAOYSA-N 395.410 2.701 0 40 GFAB COc1ccccc1[C@@H]1[C@@H](C(=O)OCC(N)=O)CCC(=O)N1c1ccc(C)cc1 6363025 VQGFLZLZPJWNIO-LAUBAEHRSA-N 396.443 2.516 0 40 GFAB COc1ccc(NC(=O)CN2CCC(n3nnc(-c4cccs4)n3)CC2)cc1 4477311 XIEKWLJQFDTRJV-UHFFFAOYSA-N 398.492 2.686 0 40 GFAB Cc1ccc(-c2nc(CCNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cs2)cc1 65568577 SDPARYHKEAVAFU-GJZGRUSLSA-N 395.550 2.605 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NCCC1=CCCCC1 5679456 KTSNFLHRFLTTQD-HXUWFJFHSA-N 387.505 2.838 0 40 GFAB CCN(CCNS(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 6711192 AHOBUNVLJXEPPS-UHFFFAOYSA-N 375.494 2.623 0 40 GFAB COc1c(Cl)c(-c2cc(C3(O)CCN(C)CC3)on2)c(OC)c2c1OCO2 15082610 KZZUQFOKFFMYSF-UHFFFAOYSA-N 396.827 2.654 0 40 GFAB COCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 4995855 WNASBFSPYBIVHR-UHFFFAOYSA-N 396.896 2.606 0 40 GFAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858539 ADGDXOSBTHEJCD-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cn(Cc2ccccc2)nn1 25143073 AESDSDQRDHKGRD-UHFFFAOYSA-N 393.428 2.960 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CCOc4ccccc43)C(=O)[C@H]2C)cc1 7922430 LVZPDPMUMYFCNP-QAPCUYQASA-N 393.443 2.792 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2CC)sc(C(=O)NC)c1C 16444966 YLFOIIWZEVRVRP-CYBMUJFWSA-N 395.525 2.796 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306126736 FDTMVAHGIMXNTE-CVEARBPZSA-N 379.489 2.896 0 40 GFAB CCC[C@H](CC(=O)OC)NC(=O)[C@@H](NC(=O)c1ccc(OCC)cc1)C(C)C 95459301 WJGYDUZFPKODNO-APWZRJJASA-N 392.496 2.688 0 40 GFAB CCOc1ccc(S(=O)(=O)/C(=C\Nc2ccc(OC)cc2)C(=O)OC)cc1 98212039 JHUFPVCXPYACCV-AQTBWJFISA-N 391.445 2.994 0 40 GFAB COCCn1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 95993162 GQDXULJTZJUCJC-MRXNPFEDSA-N 395.467 2.726 0 40 GFAB CCOc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 89272000 UKGMCKLKFVCFPO-UHFFFAOYSA-N 383.448 2.575 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306134359 NKZLIQMGEZVEBH-KRWDZBQOSA-N 385.493 2.711 0 40 GFAB Cc1ccccc1C(=O)N1CC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306125764 DBUGQTPQQZYDPZ-QGZVFWFLSA-N 391.475 2.504 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408623685 PJDXNJYORJJPDG-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCOC(=O)c1ccc(N2CCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)nc1 32825329 ICTKZGJPZAXVHM-CQSZACIVSA-N 387.484 2.822 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 30756360 RWOFDRJLOVOQGY-CQSZACIVSA-N 394.468 2.786 0 40 GFAB CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 30880954 SJOCBVLRYKNBPB-ACRUOGEOSA-N 399.535 2.915 0 40 GFAB biogenic,in-vitro CC(C)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n(-c2ccccc2)n1 72404631 ILRLARKNQSJZGW-UHFFFAOYSA-N 398.488 2.573 0 40 GFAB COc1ccccc1CN1Cc2cc3cc4c(cc3nc2OCC1=O)OCO4 72341572 RFAOOGZKKNWITO-UHFFFAOYSA-N 378.384 2.893 0 40 GFAB O=C(c1cnn2ncccc12)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 566003269 PVOCSEVSCNQNGS-INIZCTEOSA-N 392.337 2.842 0 40 GFAB CN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 85332859 PYPWKBBWYANPHZ-QGZVFWFLSA-N 376.453 2.684 0 40 GFAB CCCN1CCCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 48278631 AVABFXHEDCQOMK-INIZCTEOSA-N 397.541 2.539 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cnc(-n3nc(C)cc3C)nc2)c(C)c1C 77100030 QGKCXTJTFBRVCL-UHFFFAOYSA-N 387.465 2.705 0 40 GFAB S=C(NCc1cccnc1)Nc1nc(Cl)cc(Sc2ncccn2)n1 225942411 JXVFPJRBLBFMBO-UHFFFAOYSA-N 389.897 2.953 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223002229 VPEFHGBPGMRCOS-ZYSHUDEJSA-N 386.521 2.681 0 40 GFAB O=C(CCc1ccccc1)N1C[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C1 96245529 LPQLVIFQJRPJDS-OYRHEFFESA-N 377.488 2.564 0 40 GFAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 247973667 ICOWWPUUQLPLAF-MBSDFSHPSA-N 397.519 2.824 0 40 GFAB C[C@H]1CC(=O)N(c2cccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)c2)C1=O 248141181 QEISVLGGPLUDCX-JXFKEZNVSA-N 391.471 2.715 0 40 GFAB CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)N[C@@H](C)CC)c(C)n3n2)C1 257275063 NNTLWCIFFBKAOW-WMLDXEAASA-N 399.539 2.919 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257243114 IFNXTGIWWHGLAU-HNNXBMFYSA-N 375.856 2.761 0 40 GFAB Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CC(CN2CCN(C)CC2)C1 615278224 AECATVAPJLYSSM-UHFFFAOYSA-N 388.899 2.623 0 40 GFAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H]1C[C@H](O)[C@H](O)C1 1638745835 IUQPGLYVYUHEBF-ILKSOTCGSA-N 382.435 2.907 0 40 GFAB COc1ccc(Br)c(C(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)c1 390825968 UZIWQYGXJMTOQY-GFCCVEGCSA-N 396.216 2.680 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C 575422587 NLGSLIDHUDVQOS-GOSISDBHSA-N 393.530 2.681 0 40 GFAB CCc1noc([C@H](C)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1 44375865 MFXXKLUVZKVTSH-LBPRGKRZSA-N 380.395 2.752 0 40 GFAB CCc1ccc(CN(C)C(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)cc1 56113838 GDHRWBOPPSCYKB-UHFFFAOYSA-N 376.460 2.904 0 40 GFAB COc1ccc(CCC(=O)N2CCCN(C(=O)CCOC(C)C)CC2)cc1 60344923 NMLPHGHKOCALPH-UHFFFAOYSA-N 376.497 2.504 0 40 GFAB CN1CCC[C@@H](CNC(=O)c2cccc(OCC(=O)O)c2)[C@@H]1c1ccccc1 630342732 WHLHDIYLSVYDBS-RXVVDRJESA-N 382.460 2.963 0 40 GFAB COc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1OC 12327785 PVARSQROVYTHOI-SFHVURJKSA-N 375.440 2.860 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19079267 NUQUBVNOSDOERA-LIRRHRJNSA-N 384.455 2.783 0 40 GFAB O=C(C1CC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343552 TZICAAVTDKSWOO-SFHVURJKSA-N 398.532 2.853 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19498990 LFGJIHZKYQOCLP-HSZRJFAPSA-N 380.488 2.992 0 40 GFAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nc(-c3cnn(C)c3)cs2)CC1=O 19661570 IHWKHFQSHSLNPI-ZDUSSCGKSA-N 381.461 2.844 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)n1 12086753 YRCGHODQYRARHJ-HTAPYJJXSA-N 396.491 2.635 0 40 GFAB O=C(COC(=O)CCc1nc2ccccc2s1)NC(=O)NC1CCCCC1 2622996 LIHXWGYPRLNZSE-UHFFFAOYSA-N 389.477 2.931 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 6638369 BZWSKATURMSRRQ-INIZCTEOSA-N 388.445 2.597 0 40 GFAB COc1ccccc1CC(=O)N1C[C@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888881988 ISDIDRLQHLLKOS-QZTJIDSGSA-N 394.519 2.920 0 40 GFAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 30316678 XHUUWXXBTOMMTR-AYLMVEPYSA-N 396.274 2.624 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1Cl 41571906 RKXPKVWIICQBLO-UHFFFAOYSA-N 389.886 2.616 0 40 GFAB Cc1cc(C)nc(N2CC[C@H]3[C@H](CC(=O)NCc4ccccc4)OC[C@H]3C2)n1 1565553113 KWKQQNVBXBLRKM-AQNXPRMDSA-N 380.492 2.641 0 40 GFAB CC(C)N(C)CC(=O)N1CCC2(CC1)C[C@@H](C(=O)N1CCCC1)c1ccccc12 1565556083 WJLSNFDFQQNGJA-HXUWFJFHSA-N 397.563 2.997 0 40 GFAB Cc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)cc1 9828790 SLHWVJDWQKWXJB-UHFFFAOYSA-N 391.475 2.872 0 40 GFAB CC[C@@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccccc1 17269105 AGXWOZSLHIVABD-HXUWFJFHSA-N 386.517 2.685 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 606440706 MOMGGHGVAFHOLU-OAHLLOKOSA-N 378.398 2.778 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)c3ccc(C)nc3)c2N)cc1 19213121 YEOZDZUWRKYTFW-LJQANCHMSA-N 389.459 2.954 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19499434 BSXALHGRFBSHAG-VQTJNVASSA-N 396.491 2.652 0 40 GFAB COC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1 40069186 LXFDNNLMNRLIHU-ZDUSSCGKSA-N 395.297 2.748 0 40 GFAB O=C(OCc1cc(Cl)c2c(c1)OCO2)[C@H]1CCCCN1c1ncccn1 31272359 MYRIYALXRPVBPO-CQSZACIVSA-N 375.812 2.961 0 40 GFAB COc1ccc(CC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 21282182 WCPJAKHXDBZNQP-INIZCTEOSA-N 398.459 2.541 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)C1 2722950 DTHOAEXBBHDFAU-CYBMUJFWSA-N 399.472 2.633 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1324889 VAXGQOVNKMPDOT-UHFFFAOYSA-N 387.461 2.682 0 40 GFAB CN(C)C(=O)c1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 79014999 SYAYEOZBUHIOFE-UHFFFAOYSA-N 387.871 2.791 0 40 GFAB Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 7363359 FWWWOZXRSZQHAR-UHFFFAOYSA-N 389.380 2.884 0 40 GFAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1 7678400 LTZXQUJKAIYYPY-UHFFFAOYSA-N 380.400 2.641 0 40 GFAB CCOCCCNC(=O)c1nnn(-c2ccc(Br)c(C)c2)c1C 51317938 PMAKJBHMCZZTQI-UHFFFAOYSA-N 381.274 2.803 0 40 GFAB C[C@H](NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)c1nc2ccccc2[nH]1 12556557 KPLIKEDTQBAPJO-UONOGXRCSA-N 378.432 2.944 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C[C@H](C)O1 23682448 YRIAUFZQHINFCJ-KBPBESRZSA-N 394.518 2.727 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCC2 105697075 CCZYPIOMUJIYTK-SRVKXCTJSA-N 376.478 2.644 0 40 GFAB O=C1CN(S(=O)(=O)Cc2ccc(Br)cc2)c2ccccc2N1 24613921 HTWYIUIUGRYGMX-UHFFFAOYSA-N 381.251 2.738 0 40 GFAB CCc1ccc([C@@H](NCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 24747455 DRMFFKOGFRYAJI-UNMCSNQZSA-N 395.503 2.815 0 40 GFAB CC(C)OCCCNC(=O)C1CCN(C(=O)NCCc2cccs2)CC1 43309799 XMOXEMZXUJKPMM-UHFFFAOYSA-N 381.542 2.644 0 40 GFAB CCOC(=O)N1CCC(NC(=O)C2(c3cccc(F)c3)CCOCC2)CC1 57186257 QHJUNRAKGGEVPJ-UHFFFAOYSA-N 378.444 2.611 0 40 GFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 101672840 CPXYBHKBWSXUDM-SUMDDJOVSA-N 394.512 2.672 0 40 GFAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1cncc(-n2cccn2)n1 48287286 RKLATRCPRWGVDR-UHFFFAOYSA-N 390.369 2.591 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(F)cc2)cc1 107566015 IPHDKYMIXZRTAD-UHFFFAOYSA-N 394.468 2.802 0 40 GFAB C/C=C/Cn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2C)n(C)c1=O 10104898 BSEXPLICRAIEFO-AATRIKPKSA-N 379.464 2.631 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)OCc3ccccc3)CC2)C1 26895286 DEGDZTPEJCXSMX-GOSISDBHSA-N 389.496 2.950 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1N 2349166 JPPQZHJPHOWALH-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)c1 12765030 KGRYVNJVGMGQNV-UHFFFAOYSA-N 390.487 2.910 0 40 GFAB COC(=O)C[C@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccccc1 12767320 FQFKPFHKHCOBAY-KRWDZBQOSA-N 382.395 2.749 0 40 GFAB N#CCc1ccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 46027678 CDOYSZRMXRRWEH-UHFFFAOYSA-N 390.443 2.638 0 40 GFAB C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)cc1 12890996 NZMZBQPVRUCPMV-ASSNKEHSSA-N 381.407 2.612 0 40 GFAB NC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 408751078 WETFXVDIADSZEE-GHMZBOCLSA-N 375.475 2.553 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H](C)NC(=O)c1ccccc1 12930136 TXOAKEVCQJFEMO-CYBMUJFWSA-N 387.867 2.912 0 40 GFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(Cl)cc(Cl)c1 3628498 YKTOJJDOWIEMOH-UHFFFAOYSA-N 385.228 2.777 0 40 GFAB CCCNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4082678 IWUOAJHLBOUPKG-JTSKRJEESA-N 396.491 2.754 0 40 GFAB biogenic CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182874 HTLJTAKAIMCJLG-LJQANCHMSA-N 387.501 2.844 0 40 GFAB COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1ncccc1C)C(F)(F)F 6090734 SXJGXVPLCKIXGI-QGZVFWFLSA-N 381.354 2.592 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1nccc2ccccc12 64875022 WPJWJZVVCASQCG-UHFFFAOYSA-N 393.418 2.880 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2ccccc2OC)cc1 20492594 OQKHTIKDTMBLJZ-UHFFFAOYSA-N 376.478 2.753 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(CC)cc2)cc1 5212624 KJPWJDPDXNAFGE-OAHLLOKOSA-N 398.459 2.948 0 40 GFAB COC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 4555345 OHGCYWWTNZAJFQ-HSZRJFAPSA-N 393.439 2.546 0 40 GFAB O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(O)n1C1CCCCC1 9087061 DPZPKCMDRQNWCL-GOSISDBHSA-N 380.448 2.876 0 40 GFAB biogenic CCOC(Cn1cc(C(=O)NC(C)(C)c2ccc(Cl)cc2)nn1)OCC 66772710 UOPZAMCDJOFSBP-UHFFFAOYSA-N 380.876 2.996 0 40 GFAB CN(CC(=O)Nc1ccccc1Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 6847967 IJOLMMWTRBTOBB-HNNXBMFYSA-N 390.530 2.895 0 40 GFAB CN(Cc1cccc(F)c1)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 7000104 DUJBGANMKFQNGQ-UHFFFAOYSA-N 388.420 2.685 0 40 GFAB O=C(CN1CCCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 7780874 GXHNETSEGRRHCL-UHFFFAOYSA-N 385.917 2.549 0 40 GFAB COc1cc(C(=O)Nc2ccc(SC)cc2)cc(OC)c1OCC(N)=O 8117263 UTJVEWLWZVSOBR-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB O=C(CCSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccc(F)cc1 19854203 GWYAGBXJYHOKQZ-UHFFFAOYSA-N 387.396 2.621 0 40 GFAB Cc1ccc(Cc2c(C)[nH]c3[nH]n(-c4nc(C)cc(C)n4)c(=O)c3c2=O)cc1 18063667 GDGLIZSXSWFWKI-UHFFFAOYSA-N 375.432 2.622 0 40 GFAB CC(C)CN(C(=O)/C=C/c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21082504 ZMJKTOQTUTYJQU-BQYQJAHWSA-N 390.509 2.539 0 40 GFAB COCCN(CCNC(=O)C1(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 95453552 UWSGVMZMFNQBHF-UHFFFAOYSA-N 380.460 2.857 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1cnn(C)c1 95998566 XBGMXTMTIQAWBB-GOSISDBHSA-N 383.427 2.575 0 40 GFAB CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 89643040 AHBCYKRJSUQOKS-QGZVFWFLSA-N 376.497 2.915 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCCC1 408675908 LSTIMBRJEUZZJR-UHFFFAOYSA-N 392.452 2.936 0 40 GFAB CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)CC1 409410787 PXSANPWNGVJPHA-VQHVLOKHSA-N 377.437 2.527 0 40 GFAB O=C(Nc1ccc(OCCN2CCCC2)cc1)[C@H]1CC[C@@H](Cn2cnnn2)CC1 524732878 WEURAJRNLFIZQK-HDICACEKSA-N 398.511 2.593 0 40 GFAB Cc1csc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 408870443 DRELJZLVEAHKIK-CYBMUJFWSA-N 385.898 2.897 0 40 GFAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1onc2c1CCCC2 529920084 ZUYRVAOCFYXBAF-AWEZNQCLSA-N 377.803 2.881 0 40 GFAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)N[C@@H](C)Cc3ccccc3)cnc12 32073640 OANRKWGBMZEOQE-HNNXBMFYSA-N 390.443 2.902 0 40 GFAB NCC1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218472620 CFXYNICRUQHKIL-HZPDHXFCSA-N 385.316 2.837 0 40 GFAB COc1ccccc1Cc1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 72357877 IAZYOIZUHQNKOA-SFHVURJKSA-N 375.494 2.624 0 40 GFAB CCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1C 36614553 CNKHDPWOUMQPDC-UHFFFAOYSA-N 397.407 2.847 0 40 GFAB Cn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)ccc1=O 72354906 OPWKOFINEYEENN-QGZVFWFLSA-N 393.422 2.541 0 40 GFAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5nc6c(s5)CC5(CCOCC5)CC6)[C@@H]4[C@H]3[C@@H]12 562634459 GYDFPQXAHNDCHM-AQQNMNDWSA-N 396.512 2.694 0 40 GFAB O=C1NC(=O)[C@H]2CN(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)C[C@@H]12 565404901 YSXIXSGAACDEIX-IYBDPMFKSA-N 399.834 2.655 0 40 GFAB COCCC1(NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)CCCC1 225858492 XHRHBSMQGXDCGH-UHFFFAOYSA-N 385.555 2.718 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223611705 GOEMGPGYABENMQ-RTBURBONSA-N 382.489 2.879 0 40 GFAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222762578 XEINWLFWHZABOD-RXVVDRJESA-N 380.488 2.942 0 40 GFAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1cccnc1 44919125 YWZMCALCOKIECL-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB COc1cccc(O[C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 224571788 YPDBJWJOEICICK-QGZVFWFLSA-N 384.476 2.611 0 40 GFAB O=C(O)c1[nH]c(=O)n(-c2cccc(Cl)c2Cl)c(=O)c1CN1CCCCC1 222668607 XJLVPLYZKUTFPM-UHFFFAOYSA-N 398.246 2.517 0 40 GFAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCCC1 47032269 VYFSOQQBMJIPRL-GOSISDBHSA-N 378.469 2.950 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(OC)c1 223081344 WMSXYUJOBSTPET-GOSISDBHSA-N 392.477 2.887 0 40 GFAB Cc1ccc(N2CCC[C@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)nn1 96217042 YCVBDBZDKHPJTK-QFIPXVFZSA-N 379.508 2.984 0 40 GFAB COc1cccc(-c2ccc3nc(C4CCN(S(C)(=O)=O)CC4)nn3c2)c1 96267271 NFDNBTJTIWTWOW-UHFFFAOYSA-N 386.477 2.544 0 40 GFAB COCCO[C@@H]1CCN(S(=O)(=O)c2ccccc2)[C@H]1Cc1ccccc1 96261297 HWJBCOALHPAADS-VQTJNVASSA-N 375.490 2.724 0 40 GFAB COc1cn(CC(=O)NCCC2=CCCCC2)c(CN2CCCCC2)cc1=O 95475538 AYWPWAZOASOVOT-UHFFFAOYSA-N 387.524 2.850 0 40 GFAB Cc1cc(=NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)[nH]n1-c1ccccc1 581120668 ZNOARLYVGCDNQR-QGZVFWFLSA-N 381.480 2.611 0 40 GFAB O=C(c1cocn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ncccc1F 247875231 SQJKUOSXISCIMD-AWEZNQCLSA-N 375.400 2.689 0 40 GFAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(C(=O)c1cocn1)CC2 247885401 RJYPPELGTYRUJK-HNNXBMFYSA-N 375.494 2.737 0 40 GFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCc2ccccn2)cc1OC 253408249 XIOSFGGEWCYHKA-LBPRGKRZSA-N 383.404 2.737 0 40 GFAB biogenic,in-vitro COc1cccc(CC(=O)N2CCC[C@H]2c2cncc(Nc3ncccn3)n2)c1 257318948 VQASAFJYBSQLJZ-SFHVURJKSA-N 390.447 2.925 0 40 GFAB Nc1ccccc1S(=O)(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1 255187615 FQXWWJCKIQUJDM-UHFFFAOYSA-N 388.470 2.853 0 40 GFAB Cc1nnc(O)c(CNC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1C 1116502945 IUAVWEITNRUCAY-SECBINFHSA-N 385.390 2.595 0 40 GFAB Cc1cccc(OCC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96380776 NOMQHOZKTIMVHS-UHFFFAOYSA-N 379.865 2.712 0 40 GFAB CC(C)c1noc([C@H](NC(=O)[C@@]2(C(=O)O)CC=CCC2)C2CCOCC2)n1 653289041 HZVKDVXIZPVJQR-AUUYWEPGSA-N 377.441 2.588 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2nccnc2-c2ccco2)cc1F 390831880 VRNLNNUFUBFTTI-UHFFFAOYSA-N 377.397 2.753 0 40 GFAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 5263578 PIERKCPEGMXXQZ-UHFFFAOYSA-N 381.417 2.605 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3OC(F)F)n2)o1 12182877 LNBDQYRHZXWMTJ-UHFFFAOYSA-N 390.346 2.634 0 40 GFAB COc1ccc(OCCC(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 12750829 KHUITCFQOOJKNP-OAQYLSRUSA-N 399.443 2.607 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCCCC1 13581086 JYGXKTUNFWJRCE-UHFFFAOYSA-N 386.489 2.684 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1F 15267487 JKARWHJYCAQJQY-UHFFFAOYSA-N 394.424 2.837 0 40 GFAB CCN(CC)c1ccc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 15351138 UHCHPTAFTGGSFM-UHFFFAOYSA-N 393.491 2.840 0 40 GFAB Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(NCc4cccnc4)n3)CC2=O)c1C 19235599 JSBBUDPXQHLEFH-KRWDZBQOSA-N 389.459 2.914 0 40 GFAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(CC(C)=O)C1 19530005 SESBAAPAZCLYJO-WIYYLYMNSA-N 390.455 2.943 0 40 GFAB COc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 19552202 UNWMUYPBVGVDMH-QGZVFWFLSA-N 392.459 2.839 0 40 GFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(CCc1ccccc1)C2 19708709 SWISFKFOTDJDHC-IBGZPJMESA-N 393.535 2.845 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cn4cncn4)c3)CC2=O)c(C)c1 19714974 SLPICZNCWRQDJI-GOSISDBHSA-N 389.459 2.935 0 40 GFAB CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(OC)cc1)C(=O)C2 19739975 MXWZUXGPXCOKDI-GOSISDBHSA-N 394.475 2.956 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)[nH]n2)cc1 12087614 OUTYUBVTKFYDCJ-UHFFFAOYSA-N 399.454 2.794 0 40 GFAB COc1cccc(CC(=O)N2Cc3ccccc3OC[C@H]2Cn2ccnc2)c1 12128220 JSAZHUVMFLUODR-LJQANCHMSA-N 377.444 2.924 0 40 GFAB Cn1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 12365972 CMMOPNKYIKVTLK-SFHVURJKSA-N 388.493 2.611 0 40 GFAB Cn1cc(C(=O)N2C[C@@H]3CCC[C@]3(COc3ncc(F)cn3)C2)c(C(F)F)n1 1888876479 XOOKXZMRNPCTOP-BBATYDOGSA-N 395.385 2.608 0 40 GFAB O=C(Nc1ccc(F)cc1)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888941695 YRBDIYALMCEJOU-INIZCTEOSA-N 393.422 2.718 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCCc1cccc2cccnc12 32076542 QYFUKHZAYNBKKA-UHFFFAOYSA-N 375.428 2.709 0 40 GFAB COc1ccccc1-n1nnnc1SCc1nc2c(C)cccc2c(=O)[nH]1 32745193 CQHGQVCHQTXAJQ-UHFFFAOYSA-N 380.433 2.508 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccccn3)C2)c(C)c1 238869765 MPNKAAZTUJTWMC-INIZCTEOSA-N 389.477 2.581 0 40 GFAB O=S(=O)(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cccc2cccnc12 244970249 HPGPFGNEBZTJSZ-WKILWMFISA-N 384.461 2.693 0 40 GFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(OC[C@@H]2CCCO2)nc1 244970176 HNCLIDDZJMSTCT-INIZCTEOSA-N 380.404 2.619 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056223622 WRJHHBYCPFAYQB-SFHVURJKSA-N 392.550 2.918 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1565519762 OQFKNKJVDOYFFX-IRXDYDNUSA-N 387.505 2.614 0 40 GFAB O=C(CCF)N1CCC2(CC1)OCCN(C[C@H]1CCCO1)c1ccccc12 1565552954 FDCUNCPCQMEFQT-QGZVFWFLSA-N 376.472 2.880 0 40 GFAB O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccc(Cl)cc1 5398745 OXBGZAWPYLIKEH-UHFFFAOYSA-N 383.791 2.931 0 40 GFAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCc2ccccc2C1 11613652 DOPNATNWZGSCAT-INIZCTEOSA-N 381.501 2.744 0 40 GFAB Cn1cccc(C(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)c1=O 13716773 GMQVJFKWEXJZOY-UHFFFAOYSA-N 381.457 2.558 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC(COc3ncccc3C)CC2)c1 1775969603 ZZFHQGFOXQETHL-UHFFFAOYSA-N 376.478 2.878 0 40 GFAB CN([C@H]1CCCN(c2nc3c(F)cc(F)cc3s2)C1)S(=O)(=O)C1CC1 2086889413 UAROAAXJJQKKHH-NSHDSACASA-N 387.477 2.967 0 40 GFAB COc1ccccc1NC(=O)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 35432332 LVPFSJOIGQWLJD-UHFFFAOYSA-N 396.422 2.777 0 40 GFAB O=C(CCOc1ccc(Cl)cc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19335886 JHSGHGBOVFSZME-SFHVURJKSA-N 386.883 2.908 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19499441 UCKNEPMFCDSGBT-MSOLQXFVSA-N 384.455 2.783 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 30017866 SRYUEBXIOZTBDK-HZPDHXFCSA-N 396.491 2.626 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCCC2)cc1 20068799 JQRXTXHCBZKXSY-IRXDYDNUSA-N 387.509 2.757 0 40 GFAB CC(C)N(C(=O)CN1CCC(C(=O)NCCc2ccccc2F)CC1)C(C)C 40120643 RXPLETJIVADDOF-UHFFFAOYSA-N 391.531 2.842 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 40104132 SOFZTUNOIQVZDA-LJQANCHMSA-N 395.459 2.828 0 40 GFAB c1ccc(CN2CCc3c(sc4c3c(N3CCCC3)nc3nnnn34)C2)cc1 20533223 OLZSXKDLXJSFFD-UHFFFAOYSA-N 391.504 2.893 0 40 GFAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl 20745558 MYOQWQNCKCOLFF-HNNXBMFYSA-N 383.235 2.547 0 40 GFAB COc1ccccc1CNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O 20724081 YLZWQSRFNDTKGX-UHFFFAOYSA-N 377.444 2.934 0 40 GFAB O=S(=O)(C1=CC=C[C@H]2N=S=N[C@@H]12)N1CCC(Cc2ccccc2)CC1 101409256 JNCXUUWFQVPTDV-SJLPKXTDSA-N 375.519 2.925 0 40 GFAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 20898311 FHMMURTVIMPVFH-UHFFFAOYSA-N 388.489 2.876 0 40 GFAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 78954213 CNQXGNJBYGZNMX-HNAYVOBHSA-N 375.419 2.969 0 40 GFAB CC(=O)N1CCN(c2ccccc2CNCc2ccccc2-n2ccnc2)CC1 79073626 JCKLIGRAQDAAFT-UHFFFAOYSA-N 389.503 2.831 0 40 GFAB COc1cc(COC[C@H](O)CN[C@H](C)c2ccccc2)cc(OC)c1OC 2686928 WXONXIJDSQKEMJ-CRAIPNDOSA-N 375.465 2.941 0 40 GFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102654542 XZDJTLCFDWBOEW-MLGOLLRUSA-N 375.494 2.547 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3N3CCCN23)cc1 102677548 VIWZXRJBDUVHCE-VAMGGRTRSA-N 377.444 2.539 0 40 GFAB CCN(CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NC 4162025 UYHGOSJNIVKUOR-UHFFFAOYSA-N 390.553 2.575 0 40 GFAB O=C1CN(c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CCN1 32912872 LULNDHMFSYVYNP-UHFFFAOYSA-N 388.265 2.567 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 52771075 MQUVTEVQIGPAHF-UHFFFAOYSA-N 395.246 2.716 0 40 GFAB C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 69950310 LRYBTQQMJRVRDR-AWEZNQCLSA-N 395.444 2.993 0 40 GFAB Cc1cc(C)n2nc(C(=O)O[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)nc2n1 6038365 WEETUJOVXBPVGG-SNVBAGLBSA-N 398.448 2.574 0 40 GFAB CCN1C(=O)C(=Cc2ccc3c(ccn3[C@@H](C)C(=O)O)c2)C(=O)N(CC)C1=S 6630213 LDUZVDGGCTZCPD-LBPRGKRZSA-N 399.472 2.666 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C(F)(F)F)c1 21963512 PIPUZIANHCAHBO-UHFFFAOYSA-N 376.360 2.805 0 40 GFAB Cc1ncc(C[n+]2csc(CCOC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C)c(N)n1 100454259 CYBLJVGBDWMZJC-BFYDXBDKSA-N 387.529 2.595 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NC(C)C 10369409 VCQPEDBCBBHJFY-UHFFFAOYSA-N 389.477 2.757 0 40 GFAB CCOc1ccc(Br)c([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)c1 684102 UQWUAIWZGSUAIQ-AWEZNQCLSA-N 383.242 2.991 0 40 GFAB Cc1cccc(C(=O)NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 641708 RDHTXWGTDXRFJB-UHFFFAOYSA-N 380.473 2.920 0 40 GFAB CCOc1cc(-c2nnn(CC(=O)Nc3ccc(C(C)=O)cc3)n2)ccc1OC 12411547 PINGXVGVBOHDEF-UHFFFAOYSA-N 395.419 2.589 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100774882 TZMPRXQPKZJYSS-FVCZOJIISA-N 384.476 2.511 0 40 GFAB COc1ccc(-c2csc3ncc(C(=O)NCc4cccnc4)c(=O)n23)cc1 61719950 GKIMGESRXOAESO-UHFFFAOYSA-N 392.440 2.757 0 40 GFAB C[C@@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)c1c[nH]c2ccccc12 23367638 ABTHBFKHULRCOW-LLVKDONJSA-N 383.477 2.876 0 40 GFAB CCOC(=O)N1CCC(NC(=O)Cc2nc(-c3cccs3)oc2C)CC1 23372071 ZJGFZFKUFCOULO-UHFFFAOYSA-N 377.466 2.991 0 40 GFAB COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2Cl)CC1 24171328 SNDSGFCKAMAYJC-INIZCTEOSA-N 376.884 2.911 0 40 GFAB CCCc1cc2c(cc1NC(=O)[C@H](C)N1C(=O)[C@@H]3[C@@H](C1=O)[C@H]1C=C[C@H]3C1)OCO2 100774853 WNCMUSLFDLBVFA-SIZUQEQISA-N 396.443 2.502 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NCc2cnn(-c3ccccc3)c2)CC1=O 23671417 MOSBKDUXNDMXMC-KRWDZBQOSA-N 390.443 2.550 0 40 GFAB CCOc1ncccc1C(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C 12547350 WIURQUHUPUOYGW-GOSISDBHSA-N 396.447 2.750 0 40 GFAB CCCS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 55259677 BYJIFJHHWXXJQX-NEPJUHHUSA-N 376.316 2.710 0 40 GFAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1cccc(Cl)c1 22074846 GUJNSHYZJVEAOZ-OAHLLOKOSA-N 378.900 2.988 0 40 GFAB O=c1c2ccccc2nnn1Cc1nc(-c2cc(Br)cs2)no1 57475437 BCTKFTSIWDOBOA-UHFFFAOYSA-N 390.222 2.714 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(OC)c1 57414546 QEWSTGKDQYKVEV-FQEVSTJZSA-N 395.459 2.608 0 40 GFAB COc1ccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 113966940 LKFFYSFDQMNWSJ-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1nc2ccccc2s1 48280217 KWKTVXGVQTWLNP-UHFFFAOYSA-N 386.477 2.557 0 40 GFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 3317133 CCZGKHZBFCZFNY-UHFFFAOYSA-N 391.420 2.650 0 40 GFAB O=C([C@H](Sc1nnc(NC2CC2)s1)c1ccccc1)N1CCOCC1 10026854 JLMRCOPNZLIAFE-CQSZACIVSA-N 376.507 2.805 0 40 GFAB C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 20452379 VDTRFCXHAGUSTI-YVEFUNNKSA-N 394.880 2.744 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)cc1 58200882 YJKJOLXCLXVENF-UHFFFAOYSA-N 379.526 2.578 0 40 GFAB O=C(N1CCCCC1)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 12756606 VLVFVMSLHPTTFR-UHFFFAOYSA-N 389.887 2.712 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC)cc1 2258136 SKJYWIXITDOBDR-BLLLJJGKSA-N 390.461 2.533 0 40 GFAB COC(=O)Cc1csc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)n1 48355234 GFELAZYPZCMESO-CQSZACIVSA-N 395.868 2.718 0 40 GFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCN1CCCC1=O 11597091 DAQDMGBRYYTDRD-UHFFFAOYSA-N 393.491 2.561 0 40 GFAB CC(C)(C)c1nn(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(=S)[nH]1 12813160 QBZICBGQTZRYOZ-HNNXBMFYSA-N 394.566 2.885 0 40 GFAB O=c1c2cccnc2ncn1C[C@@H](O)COC(c1ccccc1)c1ccccc1 12845233 XUSQZIOFUFXABO-LJQANCHMSA-N 387.439 2.959 0 40 GFAB CC1CCN(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC1 13009248 CDKQFGHJVPXTGK-UHFFFAOYSA-N 394.324 2.840 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2c(C)cccc2C)cc1 28209480 ZKWHXKWTEUIBKN-KRWDZBQOSA-N 386.473 2.930 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 13188631 DYCFHXLWEUYTQR-QGZVFWFLSA-N 387.432 2.977 0 40 GFAB C[C@H](NC(=O)C[C@](C)(C(=O)O)c1ccccc1)c1ccc(-n2cncn2)cc1 13468252 FBCCBTGBPOTPSX-BTYIYWSLSA-N 378.432 2.877 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21)Nc1ccccc1F 13624344 YWLTWGNBCQUZDC-SFHVURJKSA-N 381.407 2.806 0 40 GFAB COc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)c(OC)c1 19211002 VJXVMBZLROTWQO-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB COc1ccc(C)cc1CN(C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 8980772 SRGLNPHEMJYRRB-UHFFFAOYSA-N 385.420 2.512 0 40 GFAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1 409057017 GDQDXBILACAHPI-NAGXTHEASA-O 388.422 2.842 0 40 GFAB COc1cc2oc(=O)c(CC(=O)NCCCn3ccnc3)c(C)c2cc1Cl 6659371 BVHCYFHKJOBIOP-UHFFFAOYSA-N 389.839 2.709 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5791886 PXXWHCCKTAEYRE-HNYWDRBLSA-N 379.407 2.521 0 40 GFAB COc1ccc(CNC(=O)CSc2nncn2-c2ccccc2)cc1OC 4835157 HGSACLCIBUWPMO-UHFFFAOYSA-N 384.461 2.693 0 40 GFAB COc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)c1 7058824 ALKRDCOTNOPTLT-UHFFFAOYSA-N 384.860 2.999 0 40 GFAB CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 67469163 GQEUYCSOSVQKND-ZDUSSCGKSA-N 381.523 2.949 0 40 GFAB Cc1ccccc1CCNC(=O)CN1CCC(c2nnc3ccccn23)CC1 67443576 CFKWMBSEFKJEQI-UHFFFAOYSA-N 377.492 2.576 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N1CCCc2ccccc21 7290057 RSCHQFVXEWCMDT-UHFFFAOYSA-N 381.476 2.935 0 40 GFAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1CO 80351227 WVVFLXLYMPNREC-IFMALSPDSA-N 394.515 2.943 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCCC2)c1 7609009 XOEZFQFSFRNSNE-UHFFFAOYSA-N 389.315 2.762 0 40 GFAB O=C(Cc1ccccc1)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306133330 MIOSZGIOHCQDMO-NRFANRHFSA-N 399.454 2.934 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1C)(Nc1cc(C)ccn1)C(F)(F)F 17241598 SREFADQLBDCKRF-KRWDZBQOSA-N 381.354 2.972 0 40 GFAB CCS(=O)(=O)c1cccc(F)c1NC(=O)COc1ccc(C)cc1OC 72300895 QDQFASHPCAUQED-UHFFFAOYSA-N 381.425 2.954 0 40 GFAB CC(=O)Nc1cccc2c1CCN(C(=O)c1cncc(-c3cnn(C)c3)c1)C2 95954780 YCNMDCPUHGDNPL-UHFFFAOYSA-N 375.432 2.639 0 40 GFAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc(OCC(N)=O)cc2)c1 95946848 KTBXOBWPSCTJKN-UHFFFAOYSA-N 378.432 2.914 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20461060 YMJCBVIBLIWRHL-QGZVFWFLSA-N 394.880 2.526 0 40 GFAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 306128071 GPHRUCIVJDEBJQ-FPOVZHCZSA-N 383.517 2.750 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CC)c(Cl)c1 408618968 HEJHXCYMWURDQC-LBPRGKRZSA-N 376.906 2.712 0 40 GFAB COCCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3cccs3)nc21 36617292 PMBRYUODBBTQRB-UHFFFAOYSA-N 377.447 2.917 0 40 GFAB c1cncc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1 35424619 NLCIRKDYMLQAKJ-SFHVURJKSA-N 392.463 2.700 0 40 GFAB biogenic,in-vitro COC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)c(Br)o1 79107773 MEHJOGZRPNBYDM-UHFFFAOYSA-N 380.260 2.686 0 40 GFAB CC(C)Oc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 219664246 YFDZHTNCIMPTSD-UHFFFAOYSA-N 388.445 2.647 0 40 GFAB Cc1nn(C)c(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c1C(F)F 563386426 CUINFJCWKJLMEM-UHFFFAOYSA-N 392.453 2.817 0 40 GFAB CN(C)CCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cn1 225916004 DMJJSOVDXNXYOK-UHFFFAOYSA-N 377.485 2.674 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 223618844 VOMTZTXSQGOKDL-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1NS(C)(=O)=O 222689449 WYRKANMLXFGTOA-CYBMUJFWSA-N 390.461 2.629 0 40 GFAB Cc1nn2c(nnc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40390985 QGSFKAAGRWGGAA-KRWDZBQOSA-N 377.404 2.696 0 40 GFAB Fc1cc(Br)ccc1-c1noc(-c2cn(C[C@H]3CCOC3)nn2)n1 528168953 PWWBPEQQSQYOQI-SECBINFHSA-N 394.204 2.933 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccccc3OC)ccc21 224338265 ZIFZOKXMWGFAEG-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB COc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222511452 AAZILICZONYEHQ-UHFFFAOYSA-N 382.869 2.674 0 40 GFAB COc1ccccc1NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O 220061545 DNHSXYMTDKRLKZ-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCCc1c[nH]c3ccccc13)CS2 90609790 ZPXJIQXOPSNUFY-OAHLLOKOSA-N 396.516 2.676 0 40 GFAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)ccc21 96183063 CTSRMDIQNAFBIN-KBPBESRZSA-N 380.510 2.519 0 40 GFAB CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 96111835 ZPHCGUDEJVQXJF-FPOVZHCZSA-N 392.503 2.544 0 40 GFAB biogenic,in-vitro Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)n[nH]1 95476171 BVMWJTFWZXQHSM-UHFFFAOYSA-N 392.507 2.821 0 40 GFAB O=C(CSC[C@@H]1CCCCO1)Nc1ccc(-n2ncc3c(O)ncnc32)cc1 608985021 LPWQJZOPEFZGDO-HNNXBMFYSA-N 399.476 2.762 0 40 GFAB CC(C)c1noc([C@H](NC(=O)[C@]2(C(=O)O)CC=CCC2)C2CCOCC2)n1 653289043 HZVKDVXIZPVJQR-KUHUBIRLSA-N 377.441 2.588 0 40 GFAB COCC(C)(C)N1CCN([C@@H](C(=O)O)c2ccccc2Br)CC1 659787293 DLLCAGGOYKLAMH-OAHLLOKOSA-N 385.302 2.617 0 40 GFAB COC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC1 600101768 BLFYASDPKBUELA-JJRVBVJISA-N 385.382 2.874 0 40 GFAB C[C@@H](NC(=O)Nc1cnn(C)c1C(F)F)c1ccccc1NS(C)(=O)=O 677626652 SUHTWUDPLPPNKP-SECBINFHSA-N 387.412 2.612 0 40 GFAB CO[C@@]1(C)C[C@H]1NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 664702342 RKMJUZDHULPFGK-QAPCUYQASA-N 399.413 2.787 0 40 GFAB CC(C)(C)NC(=O)c1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2 60087548 JIDRYNMMGKWYES-UHFFFAOYSA-N 383.448 2.672 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Nc3cc(F)ccc3F)CC2=O)cc1OC 5202176 CRRQQQQHGWOXJP-LBPRGKRZSA-N 391.374 2.909 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)c3ccc(C)s3)C2)c2cccnc21 19216844 SUFFAXNGWHBYPE-HNNXBMFYSA-N 397.504 2.567 0 40 GFAB COc1ccc2c(c1)C[C@H](C(=O)N1CCCN(Cc3cccc(C)n3)CC1)CO2 19236265 HLWORPPGWRNJNC-IBGZPJMESA-N 395.503 2.684 0 40 GFAB COc1ccc(CN(Cc2cnn(C)c2C)C[C@H]2CCCO2)c(OC)c1OC 19553534 VEPMDRGYQCOMDJ-GOSISDBHSA-N 389.496 2.936 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1OC 19590454 HSCHTLIFZBLGOY-OAHLLOKOSA-N 396.491 2.502 0 40 GFAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@@H]1CCCO1 19696475 PUISYEFZTKJQPO-AVRDEDQJSA-N 397.475 2.560 0 40 GFAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc2c(c1)CCC2 5573436 KFPMRVCUPJPCIB-ZDUSSCGKSA-N 387.457 2.975 0 40 GFAB O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n12)N1CCCCCC1 4292313 QNLMTBPPLWGWCV-UHFFFAOYSA-N 383.477 2.579 0 40 GFAB COc1ccccc1-c1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 4341353 FYNLDLOTNVFCPS-UHFFFAOYSA-N 398.488 2.738 0 40 GFAB O=C(Cn1ccn(-c2cccc3ccccc23)c(=O)c1=O)Nc1ccc(F)cc1 4570024 IHLHDXCQBPSRFW-UHFFFAOYSA-N 389.386 2.930 0 40 GFAB O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1ccccc1Cl 15884304 NTTJDYCQSYXQQV-UHFFFAOYSA-N 382.807 2.788 0 40 GFAB Cc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22577270 OEBAKPHNYCQVGT-LJQANCHMSA-N 396.491 2.834 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)c2ccccc2Cl)cc1 206853728 PUSXPGLWNAAEFK-MRXNPFEDSA-N 383.853 2.793 0 40 GFAB Cc1ccccc1[C@@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCS1 219283887 WWMBXIPORFHQJJ-SFHVURJKSA-N 396.578 2.673 0 40 GFAB Cc1noc(C)c1CCC(=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 38755041 DENCSWIOZMJJNU-UHFFFAOYSA-N 383.404 2.967 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)NCc2nc3ccccc3s2)c1 40097136 PDZBBGNGDYKJCS-UHFFFAOYSA-N 390.490 2.868 0 40 GFAB O=c1c(Cl)c(N2CCN(Cc3cccnc3)CC2)cnn1-c1ccccc1 40024537 AEJZZGRCJVTTGF-UHFFFAOYSA-N 381.867 2.603 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(OCCn2cncn2)c1 40150888 PAQAKNZTBMGCJP-UHFFFAOYSA-N 376.413 2.605 0 40 GFAB CCNC(=O)c1ccc(NC(=O)NCc2ccc(-n3cccn3)nc2)c(C)c1 40152296 XOBGMPOIUCTOHS-UHFFFAOYSA-N 378.436 2.647 0 40 GFAB CCOC(=O)N1CCC(NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 40160712 QGEQJILVMRCHHU-UYAOXDASSA-N 376.497 2.652 0 40 GFAB CC1(C)OC[C@@H]([C@H]2OC(=O)C(O)=C2OCc2ccc(Br)cc2)O1 20444489 OAFBJCNKHYIJRQ-WCQYABFASA-N 385.210 2.812 0 40 GFAB COc1cc2ncn(CC(=O)N[C@H](C)CCCC(C)C)c(=O)c2cc1OC 20761775 PRHRWOIZPIWNDU-CQSZACIVSA-N 375.469 2.745 0 40 GFAB biogenic CC(C)CN1C[C@H](C(=O)Nc2nc(CN3CCC(C)CC3)cs2)CC1=O 29781790 JYCKHFPJTMDBDG-OAHLLOKOSA-N 378.542 2.818 0 40 GFAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1cccnc1 9320847 WINGFRHYHIEHJS-UHFFFAOYSA-N 380.422 2.701 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N3CCC[C@H](C)C3)n2C)cc1OC 904676 OSLOYWJHVVMQCN-ZDUSSCGKSA-N 390.509 2.850 0 40 GFAB O=C(Cn1cnc2ccsc2c1=O)N1CCS[C@@H]1c1ccccc1F 32850511 OLQNCMGTUSPWMH-QGZVFWFLSA-N 375.450 2.871 0 40 GFAB CCCc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 32858443 KXAWWOUYVAADOP-UHFFFAOYSA-N 385.445 2.630 0 40 GFAB O=C(COc1ccccc1)OCCCNC(=O)c1cc2ccccc2oc1=O 1916521 ZUXZJMQGIWYFFO-UHFFFAOYSA-N 381.384 2.535 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 32988877 CICBSEVHUZKRMG-SFHVURJKSA-N 382.420 2.802 0 40 GFAB CC(=O)N1CCN(C(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)CC1 32901451 JMWISZHRZRLGEG-VMPITWQZSA-N 385.489 2.734 0 40 GFAB Cc1nn(CCC(=O)N(C)Cc2c(C)nn(C)c2C)c(C)c1Br 2776714 QCHAWAZDIAVYJV-UHFFFAOYSA-N 382.306 2.661 0 40 GFAB C[C@H](c1ccccc1)n1cc(C(=O)Nc2ccccc2N2CCOCC2)nn1 4929625 LWVZGHXVGVVDCW-MRXNPFEDSA-N 377.448 2.976 0 40 GFAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6646607 USKRCKFQCXYRAF-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 7304046 OKBSGPRAVZWJOQ-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 7985483 YFCUWVGAGJJLAF-UHFFFAOYSA-N 387.933 2.841 0 40 GFAB COCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810180 CUMOJWDKDQGYFK-UHFFFAOYSA-N 386.832 2.656 0 40 GFAB CCCn1nnc(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1 57316369 SYMRGSKAKBRQHF-UHFFFAOYSA-N 389.268 2.525 0 40 GFAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1 22692860 RYWJUQIECXXSMT-MRXNPFEDSA-N 387.505 2.676 0 40 GFAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 23197445 KYCZMENWYDLUMP-BHGKIZALSA-N 386.496 2.574 0 40 GFAB C[C@H](NC(=O)COC(=O)CN(C)c1ncccn1)c1ccc(Cl)cc1Cl 23173422 XSOYKCGJARBEJJ-NSHDSACASA-N 397.262 2.640 0 40 GFAB C[C@@H]1CCc2ccccc2N1C(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 25593534 FZVAOFWRKSZVNP-OAHLLOKOSA-N 385.489 2.603 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1nc2ccccc2[nH]1 12549640 YMKSNANENLPFRT-CYBMUJFWSA-N 398.488 2.766 0 40 GFAB Cc1ccc(CN(C)C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)o1 21737916 JCLBTCIOWHQEGZ-GFCCVEGCSA-N 382.511 2.781 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2c(C)n[nH]c2C)CC1 100750126 ZQTLZKFHDLAOKZ-KGVIQGDOSA-N 397.523 2.764 0 40 GFAB CCOc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OC 57416399 WXCFILGQMZYMEZ-MRXNPFEDSA-N 398.459 2.772 0 40 GFAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 57486018 UPMXKPGOEVLSEF-UHFFFAOYSA-N 397.500 2.860 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1 3255061 KIRHUNCKRPZZHG-UHFFFAOYSA-N 384.407 2.918 0 40 GFAB COc1ccc(OCC(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 57332214 FLGXAYCFCMNFRV-UHFFFAOYSA-N 375.856 2.658 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Cl)c2c(c1)OCO2 27673803 GZFQZRPOCBPAHS-INIZCTEOSA-N 388.851 2.700 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nnc(C2CCCCC2)s1 12690720 DTEHCKUCHYNKHI-ZIAGYGMSSA-N 388.493 2.866 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 105288342 AJKCDHUTKXHRBJ-INIZCTEOSA-N 396.443 2.895 0 40 GFAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48291119 YNURXBPPRMPORX-GOSISDBHSA-N 381.480 2.621 0 40 GFAB CC(C)OCCCn1c(S[C@H](C)C(N)=O)nc2cc(Cl)ccc2c1=O 3373433 WLKJJFWANKDIMO-LLVKDONJSA-N 383.901 2.831 0 40 GFAB CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)CC1 2377836 WWLPSQRXWYLVAI-UHFFFAOYSA-N 381.436 2.604 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc3c2CCC3=O)c1 11222018 JKHIZKHAELWDLN-UHFFFAOYSA-N 393.848 2.938 0 40 GFAB Cc1ccc(-c2noc([C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)n2)cc1S(=O)(=O)Cl 59891652 MBPNXHYAQOPQEP-XBNNWQEZSA-N 394.836 2.638 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2nnc(-c3ccco3)o2)CC1 12862684 LLHCVLMLECAQSK-UHFFFAOYSA-N 396.403 2.909 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 3401531 FBHDNRWKRBEPIA-IBGZPJMESA-N 384.432 2.705 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cnc12 12986083 GIFNQOTVOALCIR-GOSISDBHSA-N 393.443 2.901 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 4144797 MSMROTKSZPELPR-AWEZNQCLSA-N 380.400 2.844 0 40 GFAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 5026796 OUNUMVKLPIWHRF-UHFFFAOYSA-N 389.887 2.738 0 40 GFAB CC(=O)N[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 4219999 PBMNEPLMOAXBRU-SUMWQHHRSA-N 398.415 2.553 0 40 GFAB COC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCCCO3)c2ccccc12 64987029 WTRDQWVSGJTZMN-UHFFFAOYSA-N 394.427 2.906 0 40 GFAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 4351765 OYQQFCDGUMLTGA-CQSZACIVSA-N 380.400 2.832 0 40 GFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc([S@@](C)=O)cc3)n2)cc1 18456786 VZSCQCHWUCYZDW-NDEPHWFRSA-N 397.460 2.600 0 40 GFAB COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1OC 6424215 WMFUZPSDQKZENM-ZDUSSCGKSA-N 375.425 2.594 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C(C)=O)cc3)cc2C1=O 4524225 LZZLIUAMBXAASP-UHFFFAOYSA-N 380.400 2.774 0 40 GFAB COc1ccc(C[C@@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[nH]2)c(OC)c1 4676407 FSGJGILTUHYWMY-QGZVFWFLSA-N 381.436 2.799 0 40 GFAB CCOCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 4731879 UFBATJRUDDLSFA-LLVKDONJSA-N 394.884 2.762 0 40 GFAB CC(C)c1ccc(CCNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 6931758 LHFSEAUNZIZSGG-UHFFFAOYSA-N 399.516 2.598 0 40 GFAB CCNc1nnc(SCc2nc(N)c3c(C(=O)OCC)c(C)oc3n2)s1 9157702 HUKDCJKYCKKROP-UHFFFAOYSA-N 394.482 2.866 0 40 GFAB CC1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 7238850 KYKNHRCGKHREJL-UHFFFAOYSA-N 391.471 2.741 0 40 GFAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccc2c(c1)CCCC2 9193274 CNGOFMKJJLZLLI-QGZVFWFLSA-N 386.521 2.748 0 40 GFAB CCn1c(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)nnc1C1CC1 8185681 USJSWBILRVJACI-CQSZACIVSA-N 388.493 2.566 0 40 GFAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8423228 IUPLBQPFMFQDIA-UHFFFAOYSA-N 390.549 2.979 0 40 GFAB CN1CCC2(CCCN(Cc3cccc(F)c3)[C@H]2CNC(=O)N(C)C)CC1 306145143 ZZIUAFUJSSIKKK-IBGZPJMESA-N 376.520 2.773 0 40 GFAB COc1ccc2c(c1)N(C(=O)c1nccn3c(Br)cnc13)CCO2 95455674 PCMXJEHYBJGILD-UHFFFAOYSA-N 389.209 2.540 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 95998756 JZPUFDJNLTVQHV-CQSZACIVSA-N 390.871 2.976 0 40 GFAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1 89568902 BCGPBFCHRMQZSI-NSHDSACASA-N 393.392 2.600 0 40 GFAB COc1ccccc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20493420 UYAHFMJPXWFESK-UHFFFAOYSA-N 382.869 2.992 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CC)CC)C2)cc1C 408559000 UZZJBVGRBBQQJJ-MRXNPFEDSA-N 382.526 2.663 0 40 GFAB NC(=O)c1cn(CC(=O)Nc2ccnn2Cc2ccc(F)cc2)c2ccccc12 516253019 ULDUZNKMVMBCQA-UHFFFAOYSA-N 391.406 2.763 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccc3c(N)ncnc3n2)cc1 72377338 FHVVQFNRABWLQT-GOSISDBHSA-N 377.448 2.912 0 40 GFAB O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641097 JDEDWWCZPCARDS-VMPITWQZSA-N 394.866 2.678 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)c1 223900572 REVNNUWUKVJELV-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB O=C1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)Oc2cc(O)ccc21 225819764 FSUNOHLKFHCGGY-UHFFFAOYSA-N 387.457 2.722 0 40 GFAB CCSc1nnc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)s1 80344262 ZSIAKCVOABAACH-QMMMGPOBSA-N 376.529 2.899 0 40 GFAB CCCC[C@H](CC)CNC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223877240 UMUAICFXJLMXIP-INIZCTEOSA-N 382.526 2.988 0 40 GFAB CC(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223698366 KDSASPVJIGPFGE-UHFFFAOYSA-N 395.293 2.784 0 40 GFAB O=C(O)c1cccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 238204308 JKVZIELFFKDOME-UHFFFAOYSA-N 384.407 2.693 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)nn1C1CCCCC1 580039956 ILHZCYGJYPJATF-QAPCUYQASA-N 386.500 3.472 0 40 GFAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@@H]1C[C@H]1c1ccccc1F 580759454 RQHSULYDNFXSJQ-SLYNCCJLSA-N 383.467 2.748 0 40 GFAB O=C(N[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)[C@H]1CCCO1 96079082 DFQIYOSHIDQISC-RBUKOAKNSA-N 378.476 2.755 0 40 GFAB NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(S(=O)(=O)C(F)(F)F)cc1 247778760 ZKWKVPPNGLDRJR-HONMWMINSA-N 376.400 2.603 0 40 GFAB CC(=O)Nc1ncc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)s1 618255656 GWRHLSPWKJPHGI-UHFFFAOYSA-N 377.447 2.840 0 40 GFAB COc1ccc(NC(=O)c2cn(C[C@H](O)c3cccs3)nn2)cc1Cl 90590566 VRCNDTLNZWEXIG-ZDUSSCGKSA-N 378.841 2.988 0 40 GFAB O=S(=O)(CCc1c(F)cccc1F)N1CCC[C@@](O)(C(F)(F)F)CC1 625213817 WJVXZPQXEQJBEM-AWEZNQCLSA-N 387.370 2.616 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390828582 BGVNTBFLLUQMOG-NSHDSACASA-N 392.385 2.528 0 40 GFAB CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 301376028 WEGNOPVIRYUEFX-UHFFFAOYSA-N 386.809 2.936 0 40 GFAB O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CC[C@H](Oc2nccs2)C1 585320779 ROMGNOUGGIRABB-DZGCQCFKSA-N 384.461 2.933 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 11708732 FIJGCEPIBUIITK-GFCCVEGCSA-N 378.450 2.566 0 40 GFAB COCCn1c(C)cc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c1C 12121792 VTIHDJRKBBVAAG-UHFFFAOYSA-N 393.491 2.867 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1Cl 15718168 RCBUGOAUQXQPLU-UHFFFAOYSA-N 394.880 2.558 0 40 GFAB O=C(CCCc1ccc(F)cc1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19333614 BEQPXKSEUFVKJF-KRWDZBQOSA-N 382.483 2.990 0 40 GFAB c1ccc2[nH]c(C3CCN(Cc4ccnc(N5CCOCC5)n4)CC3)nc2c1 19375810 KWCBDWBSQCSVGY-UHFFFAOYSA-N 378.480 2.569 0 40 GFAB CCS(=O)(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 19520240 MZNPPLXSNIAPOJ-SUMWQHHRSA-N 398.488 2.816 0 40 GFAB COCC(=O)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1 19592734 FPMKQXLUHWDCCE-UHFFFAOYSA-N 389.459 2.953 0 40 GFAB COc1ccc([C@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)C2CC2)cc1 19715265 JGFPDBSGJSSVBS-OAQYLSRUSA-N 377.444 2.981 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@H](NC(=O)c3cnccn3)CC1)n2C 19749127 WLXPRBCZLHODAC-KRWDZBQOSA-N 391.475 2.701 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NCCC1=CCCCC1 5679453 KTSNFLHRFLTTQD-FQEVSTJZSA-N 387.505 2.838 0 40 GFAB Cc1nn(C)cc1CN1CCC[C@H](COc2ncc(Br)cn2)C1 1776009282 ZEFIZMXNYZRYAG-ZDUSSCGKSA-N 380.290 2.572 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCCc2ccccc21 807120 ZJXJZTXTIHDCHB-UHFFFAOYSA-N 385.427 2.562 0 40 GFAB COC(=O)C1CCN([C@H](c2cccs2)c2sc3nc(C)nn3c2O)CC1 4121047 UBBZKNGJEICBJI-CYBMUJFWSA-N 392.506 2.841 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 4393603 IPXSNTHTMPMHPT-MSOLQXFVSA-N 386.473 2.924 0 40 GFAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2S1(=O)=O 4940728 SIYGZFUAZPCFSS-SNVBAGLBSA-N 398.362 2.877 0 40 GFAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 5257777 ACRQDSAUZUZCAU-INIZCTEOSA-N 391.855 2.832 0 40 GFAB CC(C)COC(=O)Nc1nc(CC(=O)Nc2ccccc2C(N)=O)cs1 12440560 KVLNPSVGYYZXNQ-UHFFFAOYSA-N 376.438 2.628 0 40 GFAB Cc1ccc(-n2ccnc2N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 12444669 KWUOGOLVINBDML-UHFFFAOYSA-N 390.443 2.872 0 40 GFAB Cc1csc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)n1 16980861 UCUHNFBGFNGSOV-UHFFFAOYSA-N 386.481 2.526 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1F)(Nc1ccc(C)cn1)C(F)(F)F 20407248 PHLZVCPYUMTUPN-MRXNPFEDSA-N 385.317 2.803 0 40 GFAB O=C(Nc1cccnc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 36708455 LICFTHQTKZUYRZ-CYBMUJFWSA-N 388.474 2.619 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1 38629223 OFTMJUCQSPURTC-INIZCTEOSA-N 395.550 2.924 0 40 GFAB O=C(NCCn1cc(-c2ccco2)cn1)c1ccccc1S(=O)(=O)C(F)F 575615372 OFDKNGKJGIRPDX-UHFFFAOYSA-N 395.387 2.569 0 40 GFAB CN(C)c1nc(CNC(=O)/C=C/c2ccccc2Cl)nc(N2CCCC2)n1 575608426 UKGZFEPVQWALPF-MDZDMXLPSA-N 386.887 2.521 0 40 GFAB COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(NC(=O)OC)cc1 207975272 ZKKRCMQLUVZFFO-UHFFFAOYSA-N 384.479 2.764 0 40 GFAB Cc1cccc(N2CCN(C(=O)Cc3csc(Nc4ncccn4)n3)CC2)c1 49029406 LSMLKLXEPNHRFF-UHFFFAOYSA-N 394.504 2.876 0 40 GFAB CC1(C)Cc2cccc(OS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c2O1 40058267 WRGRNJVOSCWRMK-UHFFFAOYSA-N 382.459 2.571 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 40017351 JCNUXMCKIWTXKX-CQSZACIVSA-N 375.412 2.821 0 40 GFAB NC(=O)C1CCN(C(=O)CCn2ccc3c(Br)cccc32)CC1 40288247 OSJNGUCAXAEWTE-UHFFFAOYSA-N 378.270 2.518 0 40 GFAB CSc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30938161 CJYLJCDTGOSAHX-MRXNPFEDSA-N 392.502 2.964 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 20719683 MMYKNDFREXCXGG-WMZOPIPTSA-N 388.443 2.794 0 40 GFAB CCn1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(=O)c2ccc(C)nc21 20762805 KOBQJPWUSUOEJQ-QFBILLFUSA-N 382.508 2.719 0 40 GFAB biogenic COc1ccc(N2C(=O)C[C@@H]([C@@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 101653405 ZTDRUGXKFWVOHZ-PKOBYXMFSA-N 377.400 2.614 0 40 GFAB CC(=O)c1cccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)c1 11997146 WDCJTLBRJHQGMP-MRXNPFEDSA-N 389.477 2.821 0 40 GFAB C[C@@H](CNc1ccccc1)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 79110578 JYVHYXYGGHICRP-INIZCTEOSA-N 382.464 2.781 0 40 GFAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccc(Cl)cc21 79479347 AUJUTKJONPUBKS-UHFFFAOYSA-N 387.867 2.730 0 40 GFAB COC(=O)/C=C1\CC[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4900222 AHLOUXATKVXJKD-OTFKHFTPSA-N 392.467 2.940 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)N[C@H]2CCc3ccccc32)n1 4968153 DFMBDJILJBSEOV-SFHVURJKSA-N 375.428 2.723 0 40 GFAB C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 6067805 QJPCKAJTLHDNCS-BQLLATGHSA-N 390.520 2.719 0 40 GFAB biogenic,in-vitro COC(=O)CSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 7345323 QYPLIYRQRURKNQ-UHFFFAOYSA-N 389.458 2.974 0 40 GFAB COCCCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10367020 AEJWSUVZLRWRHV-UHFFFAOYSA-N 394.468 2.558 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 8036399 MLIHYOZSJDPNBK-DOTOQJQBSA-N 396.443 2.787 0 40 GFAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299303 SWJHBZOUQXDTLB-ZTNFWEORSA-N 397.548 2.559 0 40 GFAB biogenic,in-vitro COC(=O)[C@@H](C)SC1=Nc2c(cnn2-c2ccc(C)cc2)C2=NCCCN12 12321758 BZJJOXRJBJQCCM-CYBMUJFWSA-N 383.477 2.929 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N(C1=CCCCC1)C1CC1 22774065 BNVHYFZCSKDKKZ-UHFFFAOYSA-N 397.519 2.982 0 40 GFAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 9387119 XNUMPNLCCCNMFU-UHFFFAOYSA-N 385.416 2.676 0 40 GFAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(Cc2ccncc2)CC1 24061425 XBVMCZXQXLLXOT-UHFFFAOYSA-N 398.894 2.820 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1 55266995 XAUAPMHZKLEVKO-UHFFFAOYSA-N 378.538 2.963 0 40 GFAB CN(C(=O)Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)c1ccccc1 23216158 UGJJJWAZUAGGFY-UHFFFAOYSA-N 381.476 2.667 0 40 GFAB CC(C)(CNC(=O)NCc1ccc(CN2CCCCC2)cc1)N1CCOCC1 24988181 JHEMOUNXGDYQER-UHFFFAOYSA-N 388.556 2.583 0 40 GFAB Cc1cc(O)c([C@@H]2OC(=O)c3ccccc32)c(=O)n1Cc1ccc2c(c1)OCO2 9419271 CVRRSTMBOZCTGK-HXUWFJFHSA-N 391.379 2.899 0 40 GFAB Cc1cc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)[nH]n1 1428192 XKDNREZMVHAPBJ-UHFFFAOYSA-N 394.460 2.517 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccccc2F)CC1 26937095 VLQHNHUFVGIJKE-OAHLLOKOSA-N 385.414 2.667 0 40 GFAB O=C(CN1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)Nc1ccccc1 27126793 NZKUBEYVZZQNSD-UHFFFAOYSA-N 390.487 2.883 0 40 GFAB Cc1ccnc(NC(=O)C2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)c1 58218617 KYXLYRJMWZVRLP-UHFFFAOYSA-N 375.375 2.865 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@@H]2C)C1 58419857 VDFWEIAIOALKMS-GZBFAFLISA-N 376.428 2.836 0 40 GFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)O[C@H](C)C(=O)NC3CC3)c12 10772748 RDMJQZDFKDWDBX-CYBMUJFWSA-N 378.432 2.768 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20109159 WKTOHUFELGLDRZ-CYBMUJFWSA-N 396.896 2.992 0 40 GFAB Cc1ccc(C(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1F 48367729 MUDSSSAGNIQHDB-NRFANRHFSA-N 395.478 2.912 0 40 GFAB COc1ccc(/C=c2\sc3nnc(-c4cccc(C)c4)n3c2=O)cc1OC 3651607 XIACMATZBRIKQE-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 13014235 UHSGESAQBWCTMJ-IBGZPJMESA-N 392.455 2.820 0 40 GFAB Cc1cc(Br)c(O)c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 64663105 KZCLTZVENHDLKK-UHFFFAOYSA-N 390.237 2.906 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)ccc1F 6146608 SFXHJKAHYADPKP-INIZCTEOSA-N 392.452 2.844 0 40 GFAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H](C(F)(F)F)C1 14186677 PQNWJOCQBQFLSP-AWEZNQCLSA-N 390.427 2.886 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 4513225 NZDFHTJLGDNFTE-VLXJIEOASA-N 377.872 2.897 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](Cc1cc(OC)ccc1OC)c1nn[nH]n1 5444738 CVJZAYNPJWZYME-OAHLLOKOSA-N 397.435 2.581 0 40 GFAB C[C@@H](Sc1nnnn1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 4807599 KRIIFTWIOZNJAU-SSDOTTSWSA-N 382.421 2.731 0 40 GFAB Cc1c(CC(=O)Nc2ccc(Cn3cncn3)cc2)c(=O)oc2cc(O)ccc12 9184242 PHEJZFJEBSOGPG-UHFFFAOYSA-N 390.399 2.628 0 40 GFAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 306140531 UWKTXPYVGNVQJC-UHFFFAOYSA-N 391.475 2.544 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(F)ccc3F)CC2=O)cc1 6947435 HUJCGUGXUIGERR-CYBMUJFWSA-N 388.370 2.808 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 67106173 KCLHTFSHRLKYKO-SWLSCSKDSA-N 387.802 2.749 0 40 GFAB CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 67469164 GQEUYCSOSVQKND-CYBMUJFWSA-N 381.523 2.949 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 8272829 YJBJJXGRMOFZRF-UHFFFAOYSA-N 375.444 2.675 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)OC)c1 24260663 PXZKMAPDSTVZFB-ZDUSSCGKSA-N 390.461 2.802 0 40 GFAB Nc1nc(COC(=O)c2ccc(-n3cccn3)cc2)nc(Nc2ccccc2)n1 8393879 AIYSVZXTWHMTOR-UHFFFAOYSA-N 387.403 2.740 0 40 GFAB O=C(COC(=O)[C@@H]1CCCN1c1nccs1)Nc1ccccc1OC(F)F 97164506 HNOFBNOVEDTPCV-LBPRGKRZSA-N 397.403 2.895 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1OC 9868389 YYCAVEVZVMINPI-CQSZACIVSA-N 392.502 2.570 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCC(O)CC3)CC2=O)cc1 97701082 HVSXKHFNROIVJK-KRWDZBQOSA-N 393.487 2.948 0 40 GFAB COc1ccc(CCCC(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)cc1 95425079 NEERMBBYDKMLCT-UHFFFAOYSA-N 384.432 2.861 0 40 GFAB CCOC[C@@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 95959548 BZVNBDLVSWHOQL-HXUWFJFHSA-N 383.492 2.855 0 40 GFAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 9959054 OMNFANKRNCPBHU-LJQANCHMSA-N 388.489 2.589 0 40 GFAB COc1ccc(OC)c(C(=O)COC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 25117482 NYSJXKAMWUYKRD-UHFFFAOYSA-N 397.427 2.799 0 40 GFAB COC(=O)COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409234184 MZPHOABWQVUNMK-MHWRWJLKSA-N 386.791 2.989 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1C 408551422 HUCCRBIWNNZBSE-CABCVRRESA-N 376.478 2.548 0 40 GFAB CC[C@H](C)NC(=O)[C@@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@@H]2SC1(C)C 2119527 FNAYHWOEEFYCAK-RNCGHPTOSA-N 378.494 2.967 0 40 GFAB biogenic O=C(NCc1nccc(N2CCCCC2)n1)c1ccc(Oc2ncccn2)cc1 211095616 SLNWIOMZGKGSHS-UHFFFAOYSA-N 390.447 2.979 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 30869990 LSTMPEGLEKLAKS-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)C3(N)CCCCC3)nc(C)n2)[nH]n1 72360847 DRZVAMVFUMSNKQ-INIZCTEOSA-N 383.500 2.885 0 40 GFAB CC(C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 45673226 BXMOYGWOMCUKNK-IBGZPJMESA-N 375.432 2.786 0 40 GFAB Cc1nccn1-c1nccnc1[C@H]1CCCN(C(=O)COc2ccccc2)C1 72350593 KRWQRMIMILQZKV-KRWDZBQOSA-N 377.448 2.756 0 40 GFAB Cc1cc(C(=O)NCCOc2cccc(C)c2C)ccc1NS(C)(=O)=O 223928810 WPDYSVLUCXQILG-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB CCOC(=O)c1cnc(N)nc1CSc1nnc(-c2cccs2)n1CC 41661787 DGWMKXMPKUGWJP-UHFFFAOYSA-N 390.494 2.868 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1OC 223215300 GHAAAERTXNYHRH-UHFFFAOYSA-N 375.497 2.857 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 222778338 ZQXYXJPTHBAMCP-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB COC(=O)c1cccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)c1 225573644 KMUYXZBJKOHIMF-UHFFFAOYSA-N 390.461 2.986 0 40 GFAB C[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224004398 PIBNCYIRJCGUGB-CYBMUJFWSA-N 398.887 2.993 0 40 GFAB Cc1c(CNC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)oc2ccccc12 576917649 OTWSGTUAANAACG-LJQANCHMSA-N 376.478 2.852 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(c1ccccn1)C2 96056048 OASQPVYPILFTSS-UGKGYDQZSA-N 380.492 2.758 0 40 GFAB O=C(Nc1nc[nH]n1)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 96223873 FYOGOADORJRQOH-UHFFFAOYSA-N 398.224 2.796 0 40 GFAB C[C@@H](NC(=O)c1nc2ccccc2[nH]1)c1onc(-c2cccnc2)c1C(=O)O 96296996 BWNKOXDWEUUTMQ-SNVBAGLBSA-N 377.360 2.802 0 40 GFAB biogenic,in-vitro Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2c(C)noc2C)C3)cs1 248012848 GSTQYYTUYLKEBE-OAHLLOKOSA-N 377.466 2.647 0 40 GFAB O=C(O)COc1ccccc1CN1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 257270986 MWKLZNGZAIFMDA-MRXNPFEDSA-N 393.447 2.710 0 40 GFAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@]2(CC1)Cc1c(O)nc(O)nc1O2 257285262 PGIHZQQPXGOPRE-HXUWFJFHSA-N 398.394 2.508 0 40 GFAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CC3=CCCOC3)CC2)nn1C 257219738 DHYVXMABIDGJFU-KESTWPANSA-N 388.556 2.951 0 40 GFAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc1C 257212390 CDFRTZQQDPYRGF-LJQANCHMSA-N 394.519 2.721 0 40 GFAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CCO[C@H]2CC2(F)F)C1=O 663938322 CASFEWGHYKEPKH-FZMZJTMJSA-N 389.196 2.640 0 40 GFAB Cc1ccc2c(C)c(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)oc2c1 585269189 ZGKZOZZWXPMJHP-QWFCFKBJSA-N 386.492 2.736 0 40 GFAB COc1cc(CNS(=O)(=O)c2ccccc2)ccc1OC[C@@H]1CCCO1 56060766 LOVOBJRIGGIYGI-INIZCTEOSA-N 377.462 2.732 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615154350 FYEJQCBXIUGJGK-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB O=C(COc1ccccc1F)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160429 RFSAREBZKGWGEO-QFIPXVFZSA-N 398.434 2.629 0 40 GFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1)c1ccccc1 1772595150 NBMTULWRNVPWTE-TZIWHRDSSA-N 380.444 2.610 0 40 GFAB CCOc1cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1OC 12142845 AKOKLNZZJKEDMI-UHFFFAOYSA-N 383.496 2.625 0 40 GFAB CCN(CC)C(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678187 HECHGSJAUODATE-LJQANCHMSA-N 388.489 2.652 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 17854765 YBFDWLCXCAVJSW-SFHVURJKSA-N 393.487 2.974 0 40 GFAB Cc1cccc2c(C[C@@H](C)NC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)c[nH]c12 19236592 AYFQAJMHVUMSSI-APWZRJJASA-N 390.487 2.967 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2Cc2ccncc2)cc1 19573485 WUQMYQVPVUHAJM-FXAWDEMLSA-N 394.500 2.933 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19583482 IEUAMIDMIXDDQQ-UHFFFAOYSA-N 383.477 2.560 0 40 GFAB COCCC(=O)N1[C@H]2CC[C@@H]1c1c(nc(N(C)C)nc1Nc1ccccc1)C2 19585192 MWJQQFBEQRSWRN-DOTOQJQBSA-N 381.480 2.911 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)n1 19705300 WFHKLMNUVKODBR-LJQANCHMSA-N 396.510 2.840 0 40 GFAB CC(=O)N(C)Cc1cc(C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)nn1C 19710191 KRYAGJGYOCFVKD-MRXNPFEDSA-N 382.508 2.908 0 40 GFAB CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](Oc2ccccn2)C1 532432700 RFKIAFKYEBVAIK-QGZVFWFLSA-N 378.432 2.960 0 40 GFAB Cc1ccc(Oc2ncc(N3C(=O)NC(C)(C)C3=O)cn2)c2c1OCC21CC1 150170680 JYHHQTRVJFMEGR-UHFFFAOYSA-N 380.404 2.836 0 40 GFAB in-vitro CC(=O)Nc1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 15352806 SPOSVIXOTGWBCM-GXDHUFHOSA-N 375.384 2.997 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)CC2=O)cc1 29264041 KSSZLOFHLKFXJH-GOSISDBHSA-N 391.471 2.638 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037840832 STMKOPYNJAJXRT-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C(/C=C/c1cccs1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 1565555722 ONMKPWWJABYEER-OQRUQETBSA-N 377.506 2.680 0 40 GFAB COc1ccc(-c2cnc(S(=O)(=O)CC(=O)Nc3ccccc3)n2C)cc1 9828772 RCIVPZKNOJFDHZ-UHFFFAOYSA-N 385.445 2.508 0 40 GFAB Oc1c([C@H](c2cccc(F)c2)N2CCC3(CC2)OCCO3)sc2ncnn12 22609551 KIWIBSXBBKRJGU-AWEZNQCLSA-N 390.440 2.564 0 40 GFAB COc1cccc(CSc2nc(O)cc(CC(=O)NCc3cccnc3)n2)c1 23138103 FFRCJYAWHAMAPM-UHFFFAOYSA-N 396.472 2.737 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4ccc(F)c(F)c4)CC3)nn2)n1 2069628996 XRJXYIGIHBAEHJ-UHFFFAOYSA-N 384.434 2.880 0 40 GFAB Cc1cc(N2C[C@H]3CN(C(=O)Cc4ccc(C(F)(F)F)cc4)C[C@H]3C2)ncn1 1889390305 PNSKSSILCKEBJC-IYBDPMFKSA-N 390.409 2.941 0 40 GFAB Cc1cc(Br)cnc1N1CCC[C@@H](N(C)S(=O)(=O)C2CC2)C1 2086864740 FSVQRZFKKHPARO-CYBMUJFWSA-N 388.331 2.545 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 206695837 OLNNQZWVNZWVOM-OAHLLOKOSA-N 393.848 2.757 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@](C)(O)c1ccc2c(c1)OCO2 77200844 MSYTVEYGJBVCNK-OAQYLSRUSA-N 397.406 2.592 0 40 GFAB CN1C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2C1=O 40069602 GEKOIKRBQGZLJM-LLVKDONJSA-N 397.818 2.557 0 40 GFAB CC(=O)N[C@H](CC(=O)NCCC(=O)N1CCCc2ccccc21)c1cccs1 40122552 RJEQTKUMXVULSY-QGZVFWFLSA-N 399.516 2.801 0 40 GFAB C[C@]1(c2cccc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)c2)NC(=O)NC1=O 40118492 MFOWPIJRORRLFB-HXUWFJFHSA-N 397.818 2.809 0 40 GFAB Cc1cc2ncn(C[C@H](O)CN3CCN(Cc4ccccc4)CC3)c2cc1C 51086213 GFSRYRKEFXKCRO-OAQYLSRUSA-N 378.520 2.832 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20565908 DMDCLRFIYHUMCD-VPCSNGCSSA-N 389.883 2.517 0 40 GFAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCCC1 910841 LGUHCTZHSAFFIV-SFHVURJKSA-N 396.495 2.854 0 40 GFAB CC(C)c1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)s1 1379492 ATXSQAJQXNRCIO-ZDUSSCGKSA-N 398.485 2.592 0 40 GFAB CCCOc1ccc(-c2nnn(CC(=O)Nc3cccc(C(=O)OC)c3)n2)cc1 4169420 PJYMOQPCYMWTKT-UHFFFAOYSA-N 395.419 2.554 0 40 GFAB CCN(CC)C(=O)c1sc(NC(=O)CCCC(=O)O)c(C(=O)OC)c1C 2763830 RMYKCXKYVNAUAO-UHFFFAOYSA-N 384.454 2.519 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 6061825 PGJZDNFDWKEWBY-HNNXBMFYSA-N 381.432 2.899 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 6175220 VPOLFMKERJDHGE-NSHDSACASA-N 387.288 2.977 0 40 GFAB CCN(CC)S(=O)(=O)c1csc(C(=O)Oc2ccc3c(c2)OCO3)c1 6680439 KXSZCIQXFKOSDE-UHFFFAOYSA-N 383.447 2.727 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCc4ccccc43)=C2)cc1 6800270 IMARKLKUVLUICY-UHFFFAOYSA-N 395.484 2.838 0 40 GFAB Cc1cc(=O)c(C(=O)N2CC(=O)Nc3ccccc32)nn1-c1ccc(Cl)cc1 22064558 NBUJBWJUICVBJB-UHFFFAOYSA-N 394.818 2.793 0 40 GFAB CCOCCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10315224 KBDOSEHWMXAWDA-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1C 8732533 BFTQFEBIVZKLME-HNNXBMFYSA-N 382.416 2.758 0 40 GFAB NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc(Cl)s2)c1 53680462 PEEYZPQKBILIIU-UHFFFAOYSA-N 379.290 2.675 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc2c(c1)NC(=O)CS2 57355540 QIHKIGJJQRDZRF-UHFFFAOYSA-N 399.472 2.840 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C4[C@H]5CCCC[C@H]45)C3)ncc2C1 100747844 RKIDMDMMDGBVLG-NJAFHUGGSA-N 382.508 2.523 0 40 GFAB CCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc3ccccc23)CC1 23324305 YFUOIBOGXPTKKJ-GOSISDBHSA-N 396.535 2.701 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 12406078 ZDIUOOLWMKZINR-SFHVURJKSA-N 382.416 2.634 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2c[nH]c3ccccc23)C1=O 23946474 PDACKVCWFPTIDT-JOCHJYFZSA-N 390.443 2.685 0 40 GFAB CCOc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 54821470 OTJDCVPKHDHUQP-UHFFFAOYSA-N 390.461 2.828 0 40 GFAB C[C@H]1CN(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CCO1 24844021 BJPYZJACRHYCLV-ZDUSSCGKSA-N 390.871 2.602 0 40 GFAB CNC(=O)c1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 26678488 GYRUHSJLSIZRCV-UHFFFAOYSA-N 398.440 2.865 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 35684690 CRXQBKCBIXKABH-INIZCTEOSA-N 375.388 2.821 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 57895698 AQOVEJXWONRCPH-UHFFFAOYSA-N 377.444 2.881 0 40 GFAB COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36370004 TXKNDXULGGIGHQ-UHFFFAOYSA-N 383.452 2.684 0 40 GFAB biogenic O=C(NCCc1nnc2n1CCCCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 45385395 YSNJZCQEZVFRKG-QGZVFWFLSA-N 393.495 2.970 0 40 GFAB Cc1cccc([C@@H](CNC(=O)c2c[nH]c3ccccc3c2=O)N2CCOCC2)c1 29421195 AZUNCVWAROZDAU-OAQYLSRUSA-N 391.471 2.640 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1F 48247943 HOXZJUSGZCIZAX-LIRRHRJNSA-N 384.455 2.556 0 40 GFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 20454576 GMHXCFRLZGIZFI-INIZCTEOSA-N 390.505 2.865 0 40 GFAB CC(=O)Nc1cccc([C@@H](C)N(CC(=O)N2CCNC2=O)Cc2ccccc2)c1 12899818 LIUGGHLOKOCUMZ-MRXNPFEDSA-N 394.475 2.760 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)NC[C@H]3COc4ccccc4O3)CC2=O)c1C 3448866 NVDBUGPXHWNUPK-SJORKVTESA-N 380.444 2.613 0 40 GFAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC(=O)NCc1ccco1 3522915 LOYIUHHUIMLBHU-UHFFFAOYSA-N 397.460 2.856 0 40 GFAB Cc1ccc(Br)cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 48794343 CQJACDBHUZVSQF-LLVKDONJSA-N 378.313 2.616 0 40 GFAB COc1cc(CC(=O)Nc2cc(NC(C)=O)ccc2F)cc(OC)c1OC 13014626 NVYGZTGKONTNOZ-UHFFFAOYSA-N 376.384 2.991 0 40 GFAB CCc1cc2c(=O)n(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cnc2s1 13011009 SRMNSYOLQOBGPL-HNNXBMFYSA-N 399.472 2.962 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 13014232 UHSGESAQBWCTMJ-LJQANCHMSA-N 392.455 2.820 0 40 GFAB O=C(Cc1csc(-c2ccccn2)n1)NCc1cccnc1-n1ccnc1 29916063 ROYWIRCPXICBMP-UHFFFAOYSA-N 376.445 2.645 0 40 GFAB CCN(CC)C(=O)[C@H]1CCCN1Cc1nc(-c2ccc(OC)cc2OC)no1 65297355 JZCFWZNUMRNDET-MRXNPFEDSA-N 388.468 2.587 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1 6230686 CWKSKZMJQGFNRM-UHFFFAOYSA-N 380.853 2.802 0 40 GFAB C[C@@H]1CN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C[C@@H](C)O1 5360189 QILZLNZRUWPYQN-CHWSQXEVSA-N 392.550 2.993 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3nc(C)sc3c2)c1=O 14182982 AGWNIERVYZVNEX-UHFFFAOYSA-N 394.456 2.740 0 40 GFAB CC(C)CNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 4545631 NVFKWFLGLRTISW-UHFFFAOYSA-N 378.469 2.789 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)O 4535701 QJJULDSUCQXEDB-DIECFANBSA-N 378.469 2.943 0 40 GFAB COc1cccc(C(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)c1 4543895 FGWDIZILMYVZJD-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1 70831772 NXOZRMRQRKZIEQ-HNNXBMFYSA-N 387.379 2.572 0 40 GFAB CN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)Nc1cccc(F)c1 8848827 GPDFXPYIOLLZAS-UHFFFAOYSA-N 384.860 2.823 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1N 5676187 KLPAFACSBREFLY-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC(F)F 5601055 RLYVTLXLYRZWOM-LLVKDONJSA-N 391.168 2.851 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCn1c(=O)oc2ccccc21 15096458 QIVUTKMWHRJISF-HNNXBMFYSA-N 391.431 2.785 0 40 GFAB COCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 4995671 NZDKZRUSHCEGGD-UHFFFAOYSA-N 390.505 2.651 0 40 GFAB CCCCn1nnnc1COC(=O)c1nccnc1-c1nc2ccccc2s1 19352987 ANPGYQAEFTXAMN-UHFFFAOYSA-N 395.448 2.897 0 40 GFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2)c(=O)c1CCO 67300956 HSVFRRIARALERL-UHFFFAOYSA-N 381.407 2.531 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)c1ccc(Cl)s1 7153181 JCGZSYQSPWUCBA-UHFFFAOYSA-N 381.837 2.988 0 40 GFAB COc1ccc(C(=O)N(C)[C@H](C)c2ccccc2)cc1S(=O)(=O)N(C)C 15595108 WHQJADSIKLCFDQ-CQSZACIVSA-N 376.478 2.779 0 40 GFAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N(C)c1ccccc1 19482807 RSFRRTMKNPSQGO-OAHLLOKOSA-N 384.432 2.727 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSCC(=O)N[C@H](C)C(C)C)n1 9118039 JYPZEYNDPHCODW-GFCCVEGCSA-N 390.513 2.600 0 40 GFAB COCC(=O)N1CCCCC[C@H]1C1CCN(c2nn3cc(C)nc3s2)CC1 71890475 GFAKVYZNROXQHF-INIZCTEOSA-N 391.541 2.733 0 40 GFAB O=C(CCCc1ccccn1)N1CCN([C@H](CO)c2cccc(Cl)c2)CC1 84609917 IGTGHIAMRPFOIU-HXUWFJFHSA-N 387.911 2.936 0 40 GFAB Cc1nc(C(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c(C)o1 554605892 ZZTNDQFGUQJRRR-IBGZPJMESA-N 383.492 2.950 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCOc1ccccc1 33000662 VOOTXJDCANJWTQ-UHFFFAOYSA-N 384.432 2.714 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 128058437 XIPRLXUQJGWJMV-UHFFFAOYSA-N 397.294 2.849 0 40 GFAB COC[C@H](C)n1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O 32945283 VJLNWNFXZWLFFG-NSHDSACASA-N 390.490 2.791 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4Cl)C[C@H]32)c(OC)n1 72392586 NMGNZUCDNVQXJW-GQWAEJPESA-N 389.883 2.877 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc23)ccc1OC 121438960 COQGGTNUGKVJGI-UHFFFAOYSA-N 384.457 2.687 0 40 GFAB CCc1ccc(CC)c(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1 568371998 WJJIMUIDJUQFHJ-UHFFFAOYSA-N 379.526 2.843 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223563244 WQBABCSZIXWXBC-QWHCGFSZSA-N 384.324 2.870 0 40 GFAB C[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 223169504 SBGQEQGXBTXDBA-CQSZACIVSA-N 390.480 2.958 0 40 GFAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCCC3)CC2)cs1 225466079 VMCJGJVESDYNQU-QGZVFWFLSA-N 379.570 2.980 0 40 GFAB biogenic,in-vitro COc1ccc(C(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)cc1 96243497 VMUDFCDSIDIHHO-UHFFFAOYSA-N 391.475 2.870 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 95480867 FIYSNFKLNQPDMP-CTWPCTMYSA-N 396.535 2.803 0 40 GFAB CN(C(=O)Cn1cccn1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257222402 DTDIFUSGRORVDD-WIEKXJNISA-N 397.519 2.976 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccc(OC)cc1OC 257292584 QMEWLXHKHLVRCC-NQIIRXRSSA-N 397.475 2.715 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CNC(=O)c2ccccc21 625996081 OGFIGMHQCJMURN-HBGVWJBISA-N 377.488 2.540 0 40 GFAB O=C1CN(C(=O)NCc2cnccc2C(F)(F)F)CN1Cc1ccccc1 662194324 QNUAAGRIOCSSCI-UHFFFAOYSA-N 378.354 2.612 0 40 GFAB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCc4[nH]c5ccccc5c4C3)[C@H]2N1 67142119 CBXOPGGSUUGLQL-HBFSDRIKSA-N 398.532 2.778 0 40 GFAB biogenic O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCN3C[C@@H]3CCCO3)C2)cc1)C1CC1 585102256 VNFNPYTTZNSPTE-REWPJTCUSA-N 397.519 2.895 0 40 GFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(OC(F)(F)F)cc1 57440439 XLTNERMINUZLTB-UHFFFAOYSA-N 397.353 2.575 0 40 GFAB CC(C)NC(=O)c1nnc(N2CCC3(CCCCC3)CC2)n1[C@@H]1CCOC1 1615557460 GLNZYXZRWOUESK-MRXNPFEDSA-N 375.517 2.928 0 40 GFAB CCc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cc3sccc3n12 5108877 SPGBKCFHXKSRNN-UHFFFAOYSA-N 380.473 2.632 0 40 GFAB O=C(c1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 5321357 DMCLCFCWODYPFH-NCXUSEDFSA-N 396.393 2.800 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326160 IXWWGBYWIWHEMP-UHFFFAOYSA-N 395.478 2.949 0 40 GFAB COc1cccc(OC)c1OC(=O)/C=C/C(=O)Oc1c(OC)cccc1OC 16955402 GPIIQTXSJBYVNQ-VAWYXSNFSA-N 388.372 2.788 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cnccn1 19017537 YGZVZVZRIJCBLN-TYPHKJRUSA-N 378.476 2.876 0 40 GFAB CN1CCc2nc(C3CCN(C(=O)c4cc(C(C)(C)C)[nH]n4)CC3)ncc2C1 19083596 OMCNJTDLRIJBIF-UHFFFAOYSA-N 382.512 2.505 0 40 GFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4cccs4)C3)[nH]c(=O)c2C1 19343443 ALLSOSPSNQLFMS-OAHLLOKOSA-N 398.532 2.506 0 40 GFAB CCCn1nc(C)c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C 19525849 RAMPQOGQPNYVNZ-FDFHNCONSA-N 382.552 2.772 0 40 GFAB CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19531460 IQPIUYYYEMZBKE-GOSISDBHSA-N 381.480 2.626 0 40 GFAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19556786 OQLDYGGEGQEGRY-VBKZILBWSA-N 396.539 2.586 0 40 GFAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1cnc(N(C)C)nc1)C2 19585441 RXCGKGKDKBOLKU-FQEVSTJZSA-N 396.491 2.545 0 40 GFAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 19589022 HTFJYYMRQCIOGV-IBGZPJMESA-N 380.492 2.963 0 40 GFAB Cc1cccc(OC2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)c1 19660716 QVEIKIIQSQRHKV-UHFFFAOYSA-N 377.448 2.719 0 40 GFAB COc1ccc(-c2ccnc3c(C(=O)N[C@H](C)c4cnn(C)c4C)cnn23)cc1 19719042 RWGXGKJAIWPONE-CYBMUJFWSA-N 390.447 2.938 0 40 GFAB COc1ccc(CC(=O)Nc2cccc3c2CCNC3=O)cc1OC(F)F 529490580 BWYSZMCERYSCKR-UHFFFAOYSA-N 376.359 2.764 0 40 GFAB COCCCNC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C 8651132 KWNUAOJNHNPFKH-UHFFFAOYSA-N 380.489 2.985 0 40 GFAB Cn1ccnc1-c1cncc([C@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 2037846046 MCRXTEFURYDTMN-KRWDZBQOSA-N 377.448 2.955 0 40 GFAB CCc1noc(CCC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)n1 2037909352 WBSCEGPXUAEKIJ-HXUWFJFHSA-N 391.443 2.526 0 40 GFAB COc1cccc(CN2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c1OC 2037984286 WIIYNXIJTLYSEP-HSZRJFAPSA-N 396.487 2.959 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 85412892 DYJFRKQXEFQWRB-VQIMIIECSA-N 382.368 2.876 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1C(=O)c2ccccc2S1(=O)=O 4940768 YTXJNQZEFJNXCX-SECBINFHSA-N 382.800 2.651 0 40 GFAB CCc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5201696 XBKJXSISAWIFBN-INIZCTEOSA-N 381.432 2.947 0 40 GFAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cccc(C(F)(F)F)c2)cc1 11739544 HOFSJSUPFIFNQZ-UHFFFAOYSA-N 393.365 2.824 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)CCc2ccccc2-3)C1 13789924 QQTKRBDFOKKIFW-ZDUSSCGKSA-N 391.518 2.519 0 40 GFAB COc1ccc2sc(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)nc2c1 2086889532 OYQQOLKLGARMFR-LBPRGKRZSA-N 381.523 2.698 0 40 GFAB O=C(COc1ccccc1F)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44001986 GWNLCXBBOJMZCV-BQYQJAHWSA-N 386.423 2.866 0 40 GFAB O=C([C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCC(F)(F)CC1 2298188593 FLTKBQHTDOZGBB-NSHDSACASA-N 378.345 2.970 0 40 GFAB CN(C)CCN(C)C(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579608 AKDHAZXCYHDABN-QNGOZBTKSA-N 390.487 2.959 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2cccc(C)c2)sc2cc(NC(C)=O)ccc21 100876877 RHUCXQRZXAIYBS-XDOYNYLZSA-N 397.456 2.884 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCCO3)CC2)cc1 40108591 GMGBQEGMIGYPLJ-AEFFLSMTSA-N 394.537 2.602 0 40 GFAB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)occ(CN3CCOCC3)c2=O)C1 101342484 PVTHFWUNDRMVNH-HRAATJIYSA-N 376.497 2.578 0 40 GFAB O=C(CCn1nc(O)c2ccccc2c1=O)Nc1ccc(N2CCCC2)cc1 32738175 YYBLDTFPCDDJSD-UHFFFAOYSA-N 378.432 2.731 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 32765694 DCQKKMADYHCJRK-UHFFFAOYSA-N 395.316 2.798 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1F 32740618 AIRLBWGLWGGTSI-MRXNPFEDSA-N 387.436 2.686 0 40 GFAB Cn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 4932424 HIBMUHXQCQDXCX-INIZCTEOSA-N 386.525 2.898 0 40 GFAB O=C(NCc1ccccc1CN1CCCCC1)c1n[nH]c(=O)c2ccccc12 7118818 XDDALCXJKJONFC-UHFFFAOYSA-N 376.460 2.839 0 40 GFAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(OC(F)F)cc2)n2nnnc2N1 7736285 FEPARZXMVDTXTH-ZDUSSCGKSA-N 379.367 2.905 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)c1 8037125 KTWOOFYNVAUXRG-WMZOPIPTSA-N 380.444 2.769 0 40 GFAB Cc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n(CC(C)C)c1C 8478879 SATDNJJORNRMDA-UHFFFAOYSA-N 396.538 2.534 0 40 GFAB C[C@@H](OCC(F)(F)F)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 53019490 NBQCGSOHPCQLJI-LLVKDONJSA-N 376.350 2.514 0 40 GFAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(=O)O)c2)C3)cc1 12323249 NNBHBKMXWSEAFR-SFHVURJKSA-N 377.400 2.690 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccs2)N1Cc1cccnc1 12324267 BXCASFGAMUQNEQ-IEBWSBKVSA-N 386.498 2.992 0 40 GFAB CCn1nc(C)c(CNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)c1C 12408524 UPVSBJDPICBYKL-UHFFFAOYSA-N 385.424 2.517 0 40 GFAB CCCCN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O 12477767 VUOBJVJMKKNYGZ-UHFFFAOYSA-N 377.422 2.653 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@]3(C)C2=O)cc1 101264331 HADLUEXZIMKMLH-KNKQGSTJSA-N 377.444 2.621 0 40 GFAB O=C(NCCCCN1CCOCC1)c1cc2cc(Br)ccc2[nH]1 53450089 XKZJMKHKVCZDGP-UHFFFAOYSA-N 380.286 2.773 0 40 GFAB CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)cc1 53665789 WBTHHIXDSFIMDX-KRWDZBQOSA-N 381.432 2.984 0 40 GFAB CCCSC(Nc1ccc(OCC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973952 RWCDPSGPPANRJC-UHFFFAOYSA-N 377.466 2.902 0 40 GFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O 12568434 MSRGUZHUBNWMLN-UHFFFAOYSA-N 382.468 2.689 0 40 GFAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2S(C)(=O)=O)cc1 950630 GXCIBHJSAMHGFX-UHFFFAOYSA-N 377.443 2.886 0 40 GFAB Cc1ccc2c(c1)s/c(=N/C(=O)CCS(=O)(=O)c1ccc(F)cc1)n2C 101037079 OIUPXMLSTPOPLB-CZIZESTLSA-N 392.477 2.979 0 40 GFAB COc1ccc(CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C2CC2)cc1 23761786 XPHBOEVJKJIQNZ-UHFFFAOYSA-N 393.443 2.608 0 40 GFAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 72298415 RLOFGENJNVMCBR-OAQYLSRUSA-N 388.471 2.596 0 40 GFAB Cc1cc(CN2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)CC2)no1 55040768 COKGCAIWIFHWIS-UHFFFAOYSA-N 385.855 2.780 0 40 GFAB COc1ccc(-c2nc(Cn3nnc(-c4ccc(C(N)=O)cc4)n3)cs2)cc1 24835030 JWBSPEGIYMUOOS-UHFFFAOYSA-N 392.444 2.619 0 40 GFAB O=C(NC[C@H]1COc2ccccc2C1)[C@@H]1CSCN1C(=O)c1ccccc1 55315201 XSNVUSQTBJJPNF-YJBOKZPZSA-N 382.485 2.569 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)cn1 48166030 NPNBEMJKIVXRBX-MRVPVSSYSA-N 384.255 2.671 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)NCCc2ccc(OC)c(OC)c2)c1 48109907 QCILUMHZHKLCHM-UHFFFAOYSA-N 376.384 2.994 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccnc3Cl)CC2)cc1 25916004 RIKDSACHOAIZIB-UHFFFAOYSA-N 393.896 2.580 0 40 GFAB Cc1ccc([C@H](NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 26170216 SQNOVDJBFUIWNK-QFIPXVFZSA-N 390.487 2.931 0 40 GFAB COc1cccc(OCCNC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 44016331 SYPJUFQKVKLCLC-UHFFFAOYSA-N 394.435 2.884 0 40 GFAB CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425726 IMVSMKYRUPXWAT-UHFFFAOYSA-N 383.539 2.845 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3cnn(-c4ccccc4)c3)ccc21 27133090 IRNIAMSKWBPODM-UHFFFAOYSA-N 387.443 2.841 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc(-c2ccccc2)c[nH]1 58295448 ITEKSTLWHPGBEE-WBVHZDCISA-N 376.464 2.961 0 40 GFAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCC3 2140226 SKLQXKRCRNCBBG-SGTLLEGYSA-N 387.432 2.583 0 40 GFAB biogenic CN(C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1)S(C)(=O)=O 48340798 GKJCGVHJHLQMHA-UHFFFAOYSA-N 383.272 2.629 0 40 GFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCC2)c2cc(Br)ccc21 36356866 HZEDZXWFWGMMSJ-HNNXBMFYSA-N 381.226 2.710 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1ncccc1Cl 11247851 JJJRIWVMVULAQB-UHFFFAOYSA-N 379.869 2.899 0 40 GFAB Cn1c(=O)/c(=C/c2ccc(Br)cc2F)s/c1=C/C(=O)C(C)(C)C 48417498 ZBNJSBSYEZQOLW-MACQCPQCSA-N 398.297 2.573 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 12936180 XXJNJQCKKKWEHC-QMMMGPOBSA-N 392.264 2.904 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 12926859 WXZRGJBKKLGSAN-MRXNPFEDSA-N 376.478 2.524 0 40 GFAB CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 49574782 RZYDMQDCRCMWJW-KDOFPFPSSA-N 384.480 2.716 0 40 GFAB CC(=O)NCCCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 6114454 LXPJSQSRINFPNS-UHFFFAOYSA-N 380.366 2.819 0 40 GFAB Cc1ccc2c(CN3CCc4cc(S(N)(=O)=O)ccc43)cc(=O)oc2c1C 27550304 KPYFVBLLZSUOPN-UHFFFAOYSA-N 384.457 2.620 0 40 GFAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NC2CC2)c1OC 14019986 KFANVWXBVJIQOG-UHFFFAOYSA-N 394.424 2.536 0 40 GFAB CCn1nc(C(=O)N(CCC(N)=O)c2ccccc2Cl)c2ccccc2c1=O 14077330 HEZCKOPLIPESGK-UHFFFAOYSA-N 398.850 2.592 0 40 GFAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C(N)=O)cc(F)c2C)n1 65550215 PGPKYCJDRLQMQX-UHFFFAOYSA-N 382.395 2.988 0 40 GFAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1C 8881932 DQDMAOXZSUQMCN-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB O=C(N[C@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O)c1ccccc1F 5450995 NKDHQJJDNJKLLH-INIZCTEOSA-N 378.285 2.930 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)COc3ncnc4ccccc34)ccc21 6589948 DUKHWXMQOBOUAZ-UHFFFAOYSA-N 397.456 2.604 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6586728 DKUUOURSQUIESJ-FQEVSTJZSA-N 399.512 2.770 0 40 GFAB COC(=O)c1c(NC(=O)C(=O)N2CCC(C)CC2)sc2c1CC(C)(C)OC2 6661670 IGHFLZPPGKJAFT-UHFFFAOYSA-N 394.493 2.583 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC(C)CC2)ccc1C 6602183 UPNQDDVKNBDIGV-UHFFFAOYSA-N 381.542 2.696 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 8985353 HACGNHVSDUAYKM-KRWDZBQOSA-N 387.505 2.874 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccnc4)C[C@@H]32)cc1 306134104 NDOACNRXYQNQMM-YADHBBJMSA-N 388.471 2.973 0 40 GFAB CCn1cc(CN2CCN(C)[C@@H](c3cn4c(N5CCCC5)cccc4n3)C2)cn1 306144849 ZQEBKLBNAGDRKX-HXUWFJFHSA-N 393.539 2.640 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)NCc1ccccc1Cn1cccn1 8935460 KGPQNZHRJGEAFI-UHFFFAOYSA-N 392.484 2.687 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCSc2ccccc2)cc1 6845182 NVQKRYVVFLEPKS-UHFFFAOYSA-N 378.519 2.849 0 40 GFAB COc1ccccc1-n1c(S[C@H](C)C(=O)N(C)C)nnc1N1CCCCC1 6994213 MFJDOYJNBGKAOY-CQSZACIVSA-N 389.525 2.835 0 40 GFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1=Cc2ccccc2OC1 15720234 GLQUJZWRNVVWIK-LJQANCHMSA-N 376.412 2.844 0 40 GFAB CS(=O)(=O)c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 71281806 KSXSLSRMRLYLLB-AWEZNQCLSA-N 375.450 2.819 0 40 GFAB Cc1cc(NC(=O)CSc2nnnn2-c2cccc(C(F)(F)F)c2)no1 9190520 MVYHJLPGSPSIMN-UHFFFAOYSA-N 384.343 2.708 0 40 GFAB CC(C)c1nnc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)s1 16046719 SXKILEJVDPTWSC-BBATYDOGSA-N 393.513 2.737 0 40 GFAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 16694961 PRVYDJGAFBQCJN-IBGZPJMESA-N 398.894 2.583 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)O)c12 8278824 KSWUFBUPGXIKIW-ZDUSSCGKSA-N 389.408 2.604 0 40 GFAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(C)n(C3CC3)c2C)cc1 17131624 AUTKEOPRNUFODD-UHFFFAOYSA-N 385.420 2.954 0 40 GFAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(N2CCCS2(=O)=O)cc1 8405546 PGTMOEFXFFOYET-UHFFFAOYSA-N 394.880 2.689 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1=O 9498044 DMBQJKRWAFHLTJ-CYBMUJFWSA-N 386.477 2.680 0 40 GFAB C[C@]1(c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccco3)cc2)NC(=O)NC1=O 72311824 BLIBZSRJFDJTAN-PGRDOPGGSA-N 389.411 2.854 0 40 GFAB C[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1 95967265 JHHKOJYBRSXKRO-GOSISDBHSA-N 376.508 2.888 0 40 GFAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc(-c2ccccc2)cc1 95970574 YQDBKZZCUOTQGV-UHFFFAOYSA-N 380.444 2.749 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)N(C)C)S(=O)(=O)c1ccc(C)cc1 22277199 DEDYZQBKONPUQO-UHFFFAOYSA-N 396.896 2.941 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 408708555 KCBLUZKTXNLFTC-UHFFFAOYSA-N 387.867 2.776 0 40 GFAB COc1cccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22380897 LOHZTRSRPLNAKX-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB COc1cccc(CCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 66436054 KMDRLYKEFYZUPD-UHFFFAOYSA-N 380.444 2.820 0 40 GFAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1C 409227486 ZEIMFPCZKVFTMI-UHFFFAOYSA-N 378.384 2.528 0 40 GFAB CCc1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)c1 67336750 JTCUPJWXHZBBQO-UHFFFAOYSA-N 396.422 2.944 0 40 GFAB CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@@H]1C[C@H](O)C=C2CO 504660243 XXSSNTKMBVTREV-RUYPWGIZSA-N 392.492 2.535 0 40 GFAB biogenic CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)s1 35314366 CEDBAWNWTGJFJK-UHFFFAOYSA-N 379.511 2.929 0 40 GFAB CC(C)(C)C(=O)CNC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 72396917 JQPBSRFIAFDNOV-UHFFFAOYSA-N 387.505 2.992 0 40 GFAB Cc1ccccc1CNC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220103365 CEQBUKZKRFKPEJ-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2sc(NCc3ccco3)nc2C)CC1 44921289 HJWRUVDTKFPLAN-UHFFFAOYSA-N 378.454 2.571 0 40 GFAB Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 40050667 YDWXXIOFMHLDNU-IBGZPJMESA-N 396.491 2.947 0 40 GFAB COc1ccc(C(=O)NC[C@H]2COCc3nc4cc(NC(C)=O)ccc4n32)cc1 96112486 DFPSDTUMRCPUPR-INIZCTEOSA-N 394.431 2.505 0 40 GFAB biogenic,in-vitro O=S1(=O)[C@@H]2CCN(Cc3cccnc3)CC[C@@H]2CN1CCc1ccccc1 96145489 XJFSLUMVSOOIHM-NHCUHLMSSA-N 385.533 2.550 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1=O 580622797 KXDZIILXMQUFCR-IQGAEYHTSA-N 395.434 2.761 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 257223569 DXYNWUQHGAAKHK-YRXWBPOGSA-N 376.497 2.946 0 40 GFAB CC(=O)N[C@H]1CC[C@](CNC(=O)NC2CCCC2)(c2ccccc2)CC[C@@H]1O 257291171 QFYPVJUAHFNJQB-ONTIZHBOSA-N 387.524 2.606 0 40 GFAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653538665 CFMWIIATVLXDJU-AEGPPILISA-N 396.509 2.797 0 40 GFAB CN1CCNC[C@@H]1CNC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 666687956 GOTWVGOARZGSGT-CYBMUJFWSA-N 399.442 2.854 0 40 GFAB CCc1nc2ccc(C(=O)N3CC(S(=O)(=O)Cc4ccco4)C3)cc2s1 96122094 ADBOLIZRUMMMRC-UHFFFAOYSA-N 390.486 2.891 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575403896 IKZMGZJGXJCSSL-HXUWFJFHSA-N 380.444 2.702 0 40 GFAB C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cccc2nsnc12 66934670 DRCOSNSQEOWHOQ-DOMZBBRYSA-N 375.475 2.842 0 40 GFAB Cc1cc(OCC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)ncn1 1565520884 YACCALJSGBSEBL-UHFFFAOYSA-N 393.373 2.537 0 40 GFAB CC(=O)N1CCN(C(=O)NCCc2ccc(Cl)cc2)CCC12CCOCC2 1614627387 KVACXDHHMKUUSA-UHFFFAOYSA-N 393.915 2.696 0 40 GFAB C[C@H]1CCCCN1C(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@H](C)CC4 12184154 ZSZDBTGAKGTOGM-OLZOCXBDSA-N 399.520 2.632 0 40 GFAB COc1ccc(CCNC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc1 12516284 DANIZDGFBDLGHZ-UHFFFAOYSA-N 383.473 2.817 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 14153207 GSFHSKGNYSXFMF-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 17081438 BFPLSOZROXFXCI-SWLSCSKDSA-N 398.381 2.612 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3cccs3)o2)c(C)n1 19524648 BLWUMSOERLRJJV-LBPRGKRZSA-N 393.494 2.849 0 40 GFAB CC(=O)N1CCc2nnc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)n2CC1 19710642 XPYKITAQJQEPNU-FQEVSTJZSA-N 392.507 2.512 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)Cc2ccccn2)C1 12255501 VKJHLFBKVKGEHQ-CQSZACIVSA-N 392.434 2.817 0 40 GFAB C[C@H](NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C)c1ncc(Br)cn1 661233534 APTZARMHMRXTAN-XKSSXDPKSA-N 397.195 2.661 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)NCCn2cnc3sccc3c2=O)c1C 238818118 BYUFVQMCVNTQQQ-UHFFFAOYSA-N 391.518 2.670 0 40 GFAB Cc1cnc(NC(=O)CN2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)s1 2037916258 ZTGHKGVGLBGUQM-HXUWFJFHSA-N 389.521 2.913 0 40 GFAB COc1ccc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)cc1OC(C)C 2037983630 ATHYWKOTGBDSIE-OAQYLSRUSA-N 376.497 2.696 0 40 GFAB CCOc1cc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)c(C)cc1OC 2037984293 WOEBLMYFJLANKV-OAQYLSRUSA-N 376.497 2.616 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)Nc1ccccc1 1330883 YKMFTOXMPRPJJK-UHFFFAOYSA-N 379.807 2.874 0 40 GFAB CO[C@H](NC(=O)N[C@H](OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 16194317 MBYIBLBGRZGQGT-ZXZARUISSA-N 382.886 2.971 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)NCc3ccco3)nnc12 6803122 UVBXTMOJGVMCOH-UHFFFAOYSA-N 393.447 2.542 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)/C=C/c3cccs3)C2)C1 2055835390 UCJUTYUWWGPDFH-ROUKRRSUSA-N 396.472 2.933 0 40 GFAB COc1cc2s/c(=N\C(=O)[C@@H]3COc4ccccc4O3)n(C)c2cc1OC 101035742 WVJARGMBZNWTSR-JVMRMLDLSA-N 386.429 2.524 0 40 GFAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(Cn2ccnc2)cc1 38679646 WLNRMAOQEATURK-IRXDYDNUSA-N 398.488 2.668 0 40 GFAB C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1nc(C(C)(C)C)no1 40057369 KSMACTYMJRJPIC-ZJUUUORDSA-N 386.499 2.581 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c(Cl)c1 100033028 IOZKNBMWIVVUEK-SJORKVTESA-N 397.822 2.580 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(Cl)c1 40266697 CGCUVIYLQJPEHH-KRWDZBQOSA-N 394.834 2.813 0 40 GFAB C[C@H](CNC(=O)c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 32724101 LKIZREATXFFINA-GOSISDBHSA-N 395.503 2.788 0 40 GFAB C[C@H]1Cc2cc(C(=O)Nc3nc4c(s3)CCCC4)ccc2N1S(C)(=O)=O 11986167 AOHIOQUFHFMZLW-NSHDSACASA-N 391.518 2.985 0 40 GFAB O=c1cc2c(nn1CN1CCN(C/C=C/c3ccccc3)CC1)CCCCC2 79464718 XXULVQQDEFURFG-JXMROGBWSA-N 378.520 2.801 0 40 GFAB Cc1cc(NC(=O)CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n(C)n1 102400944 ODOJWMZEUBUIRW-OAHLLOKOSA-N 398.442 2.736 0 40 GFAB CCOC(=O)CN(CCOC)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 32932922 OAJWHPOURIVGLT-UHFFFAOYSA-N 398.308 2.810 0 40 GFAB CC(C)OC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4553917 CLGNYRFBYDAFII-QXGSTGNESA-N 398.459 2.612 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 6680974 ADANFQBHXZEBLH-UHFFFAOYSA-N 394.503 2.673 0 40 GFAB Cc1ccnc2nc(C(=O)NCc3ccc(-c4nc5ccccc5[nH]4)cc3)nn12 102819068 GKJRXSCFWIKGKE-UHFFFAOYSA-N 383.415 2.906 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2N2CCCCC2)cc1 57970186 OIAQQCLEKCARMH-UHFFFAOYSA-N 388.493 2.646 0 40 GFAB CCCn1c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc2ccccc21 102914376 MTXWGQKPFHMGDA-GASCZTMLSA-N 380.448 2.726 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@]1(C)CC1(Cl)Cl 22191710 YIICXPACOMJIIR-AWEZNQCLSA-N 394.324 2.525 0 40 GFAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 8161592 WMOZXRLJGGLIBE-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 8732542 IRXSPJQQPVJPPC-OAHLLOKOSA-N 382.416 2.704 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CC1 22311214 JUSAZZJUMYSSIH-UHFFFAOYSA-N 383.470 2.559 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)N2N=CC=C[C@H]32)c(C)c1 9136718 RYVFXXUJONFDDV-NCYKPQTJSA-N 399.450 2.900 0 40 GFAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC(=O)c1cccs1 956317 HQUCBMSWOANESG-HNNXBMFYSA-N 388.470 2.933 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)/N=c1/sccn1Cc1ccccc1 104677636 DNQBILRGSDJGJO-XTQSDGFTSA-N 393.468 2.989 0 40 GFAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23652260 ZUTGZBUZGCQQJA-WOJBJXKFSA-N 399.535 2.572 0 40 GFAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 113893945 PJYXHLPFVBAZLA-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)CC1 23762365 FQQMIGWCHHKVII-UHFFFAOYSA-N 386.304 2.895 0 40 GFAB COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccc(C)cc3C)C2=O)c1 24087119 WYQHRXYBYDUMFB-HTAPYJJXSA-N 398.459 2.519 0 40 GFAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(F)cc2)nn1-c1ccccc1 24188110 QEYJVNGGIWZKJO-UHFFFAOYSA-N 381.407 2.831 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 1457260 BKUBHUUKMSUPKX-UHFFFAOYSA-N 385.533 2.662 0 40 GFAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)N1CCOCC1 26128525 VUZLGAJIPDLNQC-LLVKDONJSA-N 383.857 2.641 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@@H](C(C)(C)O)C2 100393867 HXFDWGKUUFPMRG-FHCZGLRWSA-N 397.515 2.686 0 40 GFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 28209468 YCUOLOPVGWEUEJ-GOSISDBHSA-N 386.473 2.930 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 113968401 ZJPUISNKZSUMLE-KRWDZBQOSA-N 394.468 2.695 0 40 GFAB Cc1c(C(=O)Nc2ccnn2Cc2ccsc2)sc2ncn(C)c(=O)c12 58116618 ZTPFJZZLYYWPKK-UHFFFAOYSA-N 385.474 2.862 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCc3cccc(F)c32)ccc1OCC(=O)O 58377720 MOAIZOWHSJDYCD-UHFFFAOYSA-N 379.409 2.739 0 40 GFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 58304502 AQRYISJECXJZNL-AWEZNQCLSA-N 390.509 2.886 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2ccc(C(F)(F)F)cc2)c1 10548962 JKBFIPFJJOSONC-UHFFFAOYSA-N 386.395 2.936 0 40 GFAB O=C(CN1CCN(C(=O)CCc2ccccc2F)CC1)Nc1ccc(F)cc1 12760693 GMDRABDJVUXTNA-UHFFFAOYSA-N 387.430 2.680 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C(N)=O)c1ccccc1 11404132 LXGDUCHMUPZSSS-DLBZAZTESA-N 388.851 2.864 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 29165317 AJKUDFZTOZARGB-UHFFFAOYSA-N 396.472 2.985 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 12807205 OYOPBTMZCCWGPZ-LBPRGKRZSA-N 382.432 2.683 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)s1 11752984 MGYYWHMQSLTWNM-UHFFFAOYSA-N 393.534 2.692 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 12824312 YEGCSJPRDICMCH-RYUDHWBXSA-N 393.281 2.940 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@H](C)NC(=O)c1ccccc1 12930127 TXOAKEVCQJFEMO-ZDUSSCGKSA-N 387.867 2.912 0 40 GFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccco2)cc1 408710005 KWJJBFGJMRKTJN-UHFFFAOYSA-N 391.427 2.773 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2ccccc21 13003781 INZTUMTZJSURSK-PKOBYXMFSA-N 397.500 2.553 0 40 GFAB Cc1ccc(NC(=O)CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 13095663 CBOKRZNGOSYNKQ-UHFFFAOYSA-N 380.897 2.993 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 13001947 ZBXYSMGQUOXKJW-UHFFFAOYSA-N 375.787 2.954 0 40 GFAB O=C(NCc1ccccc1Cl)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 13628944 ATDKRWXYQGLGHE-NEYJZJCJSA-N 398.846 2.531 0 40 GFAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C)C)n2)cc1OC 6006651 CIJFNBKKQULMIB-UHFFFAOYSA-N 395.463 2.795 0 40 GFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408609431 SXNSXNKYARSPCQ-ZDUSSCGKSA-N 380.441 2.918 0 40 GFAB COCCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 8617884 KHPJDSIVQAPQEP-UHFFFAOYSA-N 394.460 2.515 0 40 GFAB CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1 14066403 UZODLROYYIRJLV-QGZVFWFLSA-N 381.480 2.869 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)c1 5348738 QLEVXXMCGMWPIS-IBGZPJMESA-N 386.404 2.853 0 40 GFAB CCn1cc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)c(=O)c2ccc(C)nc21 42380320 MMCOYKKERCGOIW-AWEZNQCLSA-N 397.504 2.905 0 40 GFAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)[C@H]1CCS(=O)(=O)C1 14201128 UFIQBWDIPFXUFB-RZYZSWTKSA-N 380.535 2.984 0 40 GFAB CC(=O)CCc1ccc(OS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 15326433 XNKDGTDBDOSAJP-UHFFFAOYSA-N 387.457 2.885 0 40 GFAB CC(C)(C)c1ccc(-c2nc3nc(O)cc(NC(=O)[C@@H]4CCCO4)n3n2)cc1 8969932 VFTSGFIHHRPBQA-AWEZNQCLSA-N 381.436 2.912 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O 67320331 GDMBVYSALFGYLS-UHFFFAOYSA-N 395.434 2.956 0 40 GFAB Cn1ccs/c1=N\C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 7191697 BRZGRWVYZOCMNL-MRCUWXFGSA-N 379.441 2.744 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)c(Br)c1 7251534 UEFHPMGVUOWADI-UHFFFAOYSA-N 388.225 2.751 0 40 GFAB Cc1cccc(COC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)c1 7547645 DBEJRYSGXFZHOF-KRWDZBQOSA-N 398.484 2.899 0 40 GFAB Cn1c([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 68002250 AEPAMHJFLMYBOU-QGZVFWFLSA-N 376.416 2.882 0 40 GFAB CS(=O)(=O)N1CC[C@H](CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 90796533 JOTBUBRZXVMTIT-DNVCBOLYSA-N 378.538 2.650 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)CNC(=O)c1cc(Cl)ccn1 7946587 HYNMAFAYMWBDHM-UHFFFAOYSA-N 388.899 2.623 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)c(C)c1 408617498 DAHPGQSHLZBJPG-UHFFFAOYSA-N 390.505 2.687 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1ccc(Br)cc1 19897895 DKTBFNQYWDIOEM-OAHLLOKOSA-N 379.254 2.845 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3C[S@@](C)=O)CC2=O)cc1 97139749 YBJBZSBVJGIMDF-MYUZEXMDSA-N 384.501 2.861 0 40 GFAB C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl 84673406 RPEIYRFMXCDQNE-QWHCGFSZSA-N 382.707 2.932 0 40 GFAB COCCn1c(C(=O)Nc2cccc(-c3nnn(C)n3)c2)cc2ccccc21 95479698 HRAZQXVHMSQMRD-UHFFFAOYSA-N 376.420 2.731 0 40 GFAB O=C(N1CCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 306131812 KQEFEXOBVDZKMH-FQEVSTJZSA-N 382.489 2.963 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1 22227310 VXBKOHSRNZRVBB-UHFFFAOYSA-N 378.469 2.829 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cc4ccccc4c(=O)n3C)CC2)c1 505169414 MTDMFUHOEDMJRX-UHFFFAOYSA-N 377.444 2.510 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1)C(C)C 36569304 YUNWTYSUGMTMCK-WBVHZDCISA-N 390.871 2.918 0 40 GFAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 216384996 DYBNWBCHOJXUMC-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@@H](N)C(C)C 79393321 QFMVQSAEJAOTKZ-IBGZPJMESA-N 375.513 2.867 0 40 GFAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3cnccn3)C2)c1 72358746 TVAAEPIZBPDGAK-INIZCTEOSA-N 375.432 2.962 0 40 GFAB CCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 33702603 FKSWNTNOONTIIZ-UHFFFAOYSA-N 380.441 2.556 0 40 GFAB CCn1c(N2CCN(CC(=O)Nc3ccc(OC)cc3)CC2)nc2ccccc21 35291807 XWZCWCCSPUIRFK-UHFFFAOYSA-N 393.491 2.826 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c1 32642935 SMGVGNOBQGUJTH-UHFFFAOYSA-N 394.431 2.736 0 40 GFAB COc1ccccc1NC(=O)CSc1ccc2nnc(C(F)(F)F)n2n1 72404914 NMKLZCBZTCNLDB-UHFFFAOYSA-N 383.355 2.883 0 40 GFAB Cn1nc([C@H]2CCCN(C(=O)NCc3cccs3)C2)n(-c2ccccc2)c1=O 77100602 CQILUTIVYORBGQ-HNNXBMFYSA-N 397.504 2.722 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 44899915 GWHIWJFSCCNYDZ-UHFFFAOYSA-N 376.460 2.947 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 222778283 ZQXYXJPTHBAMCP-CQSZACIVSA-N 390.867 2.891 0 40 GFAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCOCc2ccccc2)c1 224397009 MGUIKDJDMOYERL-UHFFFAOYSA-N 382.869 2.658 0 40 GFAB CCCc1ccc(OCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 223614866 VUHOYBBEOLSQGO-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC(=O)Nc2ccccc2)CO1 40287011 VWVRUKMXHORZQS-UHFFFAOYSA-N 384.461 2.530 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC3CCCCC3)s2)cc1 225461928 SGPHUMJTQPRUQA-UHFFFAOYSA-N 380.495 2.710 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44933570 NOKIOGRCROWFOV-HNAYVOBHSA-N 388.489 2.708 0 40 GFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCOC 223193269 HZFIVAYNGDUJFF-HXUWFJFHSA-N 386.467 2.938 0 40 GFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cccc(Cl)c1 77154657 KAQAGPXEQGABPF-UHFFFAOYSA-N 397.909 2.899 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)c3ccccc3F)C2)C1 96093329 CJEFDCBMRUVMQL-HXUWFJFHSA-N 382.395 2.611 0 40 GFAB O=C(NC1CCN(c2ccccn2)CC1)N1CCCN2c3ccccc3C[C@@H]2C1 576753336 PSQLFRIICXKQAT-HXUWFJFHSA-N 391.519 2.897 0 40 GFAB Fc1ccc(-c2nnc3n2C[C@@H](NCc2c[nH]nc2-c2cccnc2)CC3)cc1 96002617 GZWPOWXLRTWGSZ-SFHVURJKSA-N 389.438 2.974 0 40 GFAB COCCN(C)c1cnn([C@@H]2CCCN(Cc3cccc(C)c3C)C2)c(=O)c1 583618416 UNIAYYMTJLXDPU-HXUWFJFHSA-N 384.524 2.780 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230427 RJLMGMCXBGHCTN-ZGPJWRFFSA-N 398.484 2.828 0 40 GFAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)CN2CCOCC2)o1 257317315 VJGZBLODXAZZOB-IBGZPJMESA-N 399.491 2.660 0 40 GFAB COCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 257319832 VUFLIXBAAHSKPW-SFHVURJKSA-N 380.492 2.700 0 40 GFAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)C1 623194541 HXYNEUUPOUQROT-RISCZKNCSA-N 375.436 2.991 0 40 GFAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCN(CCc2cccs2)CC1 635416125 YPHVRLNXDFCTQR-UHFFFAOYSA-N 385.411 2.868 0 40 GFAB O=C(NCCc1cnc2c(Cl)cnn2c1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 664976382 UMDLZQKXJFTLLG-USXIJHARSA-N 385.830 2.702 0 40 GFAB Nc1nc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc(-n2cccn2)n1 678480543 CHRCSHCRVLLBAC-ZDUSSCGKSA-N 389.385 2.954 0 40 GFAB COc1cc([C@H](NC(=O)NCc2cc[nH]n2)C(F)(F)F)cc(OC)c1OC 681495738 VRQHZLLYJZWYOT-AWEZNQCLSA-N 388.346 2.538 0 40 GFAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 96025399 CAONENIJYQGCEM-GFCCVEGCSA-N 391.923 2.638 0 40 GFAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4ccnc(F)c4)C3)C2=O)n1 585101015 UUJXWQHOGSVLDM-OAQYLSRUSA-N 382.439 2.579 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1F 45767947 AIQWNEZOACGZFV-GOSISDBHSA-N 393.422 2.608 0 40 GFAB C[C@@H](C(=O)Nc1ccccc1N1CCCCCC1)S(=O)(=O)C1CCOCC1 89574000 SNQUUOLMZFTJQH-INIZCTEOSA-N 394.537 2.988 0 40 GFAB Cc1cc(CCC(=O)N2CCCc3cnc(N4CCOCC4)nc32)ccc1F 675007591 RCMOFHIWTSFGRZ-UHFFFAOYSA-N 384.455 2.673 0 40 GFAB CC(C)c1cc(C(=O)Nc2ccc(N(C)C)cc2)nn1[C@H]1CCS(=O)(=O)C1 11906936 VLCYPIAYLTUBBZ-INIZCTEOSA-N 390.509 2.684 0 40 GFAB O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)NCc1ccccc1 12484568 SSNCZVVPEUFGOG-UHFFFAOYSA-N 394.471 2.669 0 40 GFAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 13041784 NBEAZLYVFAXYRK-IRXDYDNUSA-N 393.553 2.920 0 40 GFAB Brc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)o1 14022493 FSOFMZBTZDJHBV-UHFFFAOYSA-N 389.169 2.647 0 40 GFAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)c4cccnc4)[C@H]23)cc1 19019328 FIADPADSCYFWBM-NJDAHSKKSA-N 379.460 2.709 0 40 GFAB NCc1ccc([C@@H]2CN(C(=O)COc3ccc(F)cc3)C[C@H]2c2cc[nH]n2)cc1 19699001 FCCVUPSDAUJNAX-VQTJNVASSA-N 394.450 2.796 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCCN2C(=O)COc2cccc(N(C)C)c2)nn1C 19709178 TXOFFPTYHJLFOJ-NRFANRHFSA-N 399.539 2.680 0 40 GFAB Cc1nc2ccc(C(=O)N3CCn4c(nnc4C4CCN(C)CC4)C3)cc2s1 19711277 ASXORWGPBVFUGS-UHFFFAOYSA-N 396.520 2.661 0 40 GFAB O=C(NC1CCN(C(=O)CCn2ccc3ccncc32)CC1)c1ccccc1F 12144272 ZUNVUXCAZNWUFO-UHFFFAOYSA-N 394.450 2.987 0 40 GFAB CN1C(=O)NC2(CCN(Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O 19715466 IEUOIFPJKKQKKM-UHFFFAOYSA-N 397.450 2.921 0 40 GFAB C[C@H]1CCC[C@@H](NC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CC1 682378345 FQELXVAVJMDJSF-LSDHHAIUSA-N 383.514 2.705 0 40 GFAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)[C@H]4CCCO4)CC3)ccc2n1 1888856924 ZCVIQJCEUOCWMV-MRXNPFEDSA-N 386.496 2.823 0 40 GFAB Cc1nc2c(c(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)n1)CCC2 1888906622 PCVGPBWKCXJTPL-UHFFFAOYSA-N 391.523 2.941 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)CCc2ccc(F)cc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 1848354217 BJOXFVTYZKKGST-XWSHUIEDSA-N 390.499 2.805 0 40 GFAB COc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 225495505 OLUSXTXAUMSPJG-LBPRGKRZSA-N 382.342 2.583 0 40 GFAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 225637669 DWDKYQFEZSZBSO-XCLLZBPDSA-N 397.475 2.975 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc(C)n1 585147331 GDIKLOQAKCOYTH-LJQANCHMSA-N 381.476 2.822 0 40 GFAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1cncc(Br)c1 189271585 WUFROSIFLKQFJN-UHFFFAOYSA-N 380.208 2.848 0 40 GFAB COc1ccc(/C=C/C(=O)NCCNc2ccc(-n3cccc3)nn2)cc1OC 77101368 DYIIFIFJUSBIKI-UXBLZVDNSA-N 393.447 2.526 0 40 GFAB CC(C)CN1CCO[C@@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 29757533 DMJVKTBVQUHYKB-AWEZNQCLSA-N 375.296 2.845 0 40 GFAB Cc1ccc(CN2CCCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1 40087000 PLBJJBJKPOKIOK-NRFANRHFSA-N 378.472 2.811 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1c[nH]nc1-c1ccc(F)cc1 40058517 LXBCWVBJUPUKKS-IBGZPJMESA-N 394.450 2.847 0 40 GFAB Cc1c(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cnn1C 40107851 BSERRIWCOMZOAQ-MRXNPFEDSA-N 394.397 2.841 0 40 GFAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCN(Cc2cccs2)CC1 30572993 HLAQZHKCHLCUKO-UHFFFAOYSA-N 399.545 2.970 0 40 GFAB CC[C@H](C)n1c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S 100747928 HHYFLAYINTXGAI-QFYYESIMSA-N 391.493 2.835 0 40 GFAB biogenic O=C(NCc1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 31725221 CRVXCUZJQCUKCY-UHFFFAOYSA-N 397.497 2.540 0 40 GFAB Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 101715144 KMMFHNXGCFBWDJ-AWEZNQCLSA-N 381.823 2.858 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)no1 2619716 BFDMGJNEKYCILI-HXUWFJFHSA-N 384.436 2.686 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ncc[nH]1)c1cccc(F)c1 78996360 BYJVVBUNUKUEBL-UHFFFAOYSA-N 393.426 2.769 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)Cc2ccccc2C)c(C)c1 7974924 CUEBIMCWGFOCDQ-UHFFFAOYSA-N 382.460 2.761 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1cccc(OC)c1 54892241 FSTOFKDIWLMCJH-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c(OC)c1 53474346 OLZWVTCHCIYKKT-UHFFFAOYSA-N 383.492 2.945 0 40 GFAB CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 725349 VLDFQVLSMCKBJE-UHFFFAOYSA-N 392.484 2.715 0 40 GFAB NC(=O)c1c(NC(=O)[C@H]2CC(c3ccccc3O)=NO2)sc2c1CCCC2 815013 DYSKJQLXNUEJMH-CQSZACIVSA-N 385.445 2.563 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC3)N2CCOCC2)cc1 23761015 INHCSIOPGPQTQO-JOCHJYFZSA-N 380.488 2.987 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1 55548517 ODGVBXYTSMLSON-UHFFFAOYSA-N 382.869 2.828 0 40 GFAB CCOc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 24992708 SEONRCZSCXDBOP-UHFFFAOYSA-N 392.496 2.872 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N[C@H](C)c2ccccc2)cc1 28209427 JVXZZUXIHIZLCJ-CRAIPNDOSA-N 386.473 2.552 0 40 GFAB O=C(COC(=O)CCc1nc(=O)c2ccccc2[nH]1)Nc1ccccc1Cl 12514942 BZMJTEWIFVKMOA-UHFFFAOYSA-N 385.807 2.691 0 40 GFAB Cn1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 34891212 LPKVIEPUSDZXDM-UHFFFAOYSA-N 375.519 2.746 0 40 GFAB O=C(NC1CCCC1)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 35360380 AMLALXPVGJLMPH-BPZDKFOGSA-N 383.536 2.682 0 40 GFAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H](C)c1ccc(Br)s1 108457691 WPQOEPGEFYKFLO-GUBZILKMSA-N 382.345 2.894 0 40 GFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100180307 PTNGMKDWGZALSA-WKUQZLKGSA-N 399.535 2.789 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 2136721 BHGZIOJVNWNESQ-UHFFFAOYSA-N 389.502 2.735 0 40 GFAB CC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)CC1 44985369 CHXSPCNBHDAHOG-UHFFFAOYSA-N 380.492 2.882 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)c3ccccn3)cc(C(C)C)nc21 44917388 LMUSYEWGYXHSBB-CYBMUJFWSA-N 395.463 2.504 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1N 2263432 QHICCMGOPMTOND-UHFFFAOYSA-N 391.403 2.677 0 40 GFAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc(F)c(F)c1F 3300140 XGJRDONRNUONAG-AWEZNQCLSA-N 391.349 2.596 0 40 GFAB Cc1nc(-c2ccccn2)sc1C(=O)O[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 28364387 RWTGVJGSQURKGD-MBNYWOFBSA-N 389.477 2.695 0 40 GFAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11181496 GIFNVNWGARIFTG-QGZVFWFLSA-N 392.415 2.750 0 40 GFAB CCOCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(Cl)c1 36615209 ZEDBXEWZAHCXNJ-INIZCTEOSA-N 392.843 2.809 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H]1COc2ccccc2O1 48353732 YXEUQOIHPVQPEB-IEBWSBKVSA-N 378.428 2.907 0 40 GFAB COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(Cl)c1OCC(N)=O 12831113 XXSDSSDNWPQLCZ-UHFFFAOYSA-N 376.796 2.668 0 40 GFAB CCOCc1c(C(=O)OCC(=O)NC(=O)NCC(C)C)oc2ccccc12 3546487 JUXDJFVAHQPAFF-UHFFFAOYSA-N 376.409 2.608 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1 12980886 UKXWVTAJWSCQGD-UHFFFAOYSA-N 389.402 2.815 0 40 GFAB CN(Cc1ccccc1Br)C(=O)COc1ccccc1C(N)=O 21233293 SLVBNSUCKCCJHL-UHFFFAOYSA-N 377.238 2.585 0 40 GFAB CSc1ccc(N2C[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)cc1 13014720 WTXOEDKNCMNTPW-GDBMZVCRSA-N 398.484 2.718 0 40 GFAB C[C@@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCc1ccc(O)cc1 13571060 KFMVTIWCSAMGGS-SECBINFHSA-N 377.857 2.551 0 40 GFAB CCOc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OCC)c1OCC 4195201 CIPHQQOUSCUMEX-UHFFFAOYSA-N 391.420 2.949 0 40 GFAB Cc1ccc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 4142395 JKLWHFRPHNOWMT-MDPIYQRISA-N 390.476 2.938 0 40 GFAB Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccco3)ccc21 13683631 AMWUHCXBHRSIEZ-KRWDZBQOSA-N 396.447 2.646 0 40 GFAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccccc4F)c3)nc2)n1 65251081 RAYVKJWMAYQTDS-UHFFFAOYSA-N 392.394 2.949 0 40 GFAB COc1ccccc1CNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408706217 XRBDCIOPUNPYMS-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB Cc1csc([C@](O)(CC(=O)NCCc2csc(C)n2)C(F)(F)F)n1 65554503 AODLSQPCKWYTBI-CYBMUJFWSA-N 379.429 2.715 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](CO)Cc3ccccc3)c(C)c2oc1=O 8764736 YESGDJLIKSKBOR-GOSISDBHSA-N 395.455 2.817 0 40 GFAB biogenic COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(Cl)cc1Cl 6509881 KMOPDSNPVSNZNJ-UHFFFAOYSA-N 389.260 2.579 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 4835026 JVOUHULWUANMMV-OAHLLOKOSA-N 395.459 2.825 0 40 GFAB CC(C)C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nnc2ccccn12 96116856 AHCWPALHGZFMDU-IRXDYDNUSA-N 393.495 2.639 0 40 GFAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CCC2=O)cc1 5871204 ZNKSICVYKHEEMP-LJQANCHMSA-N 391.427 2.522 0 40 GFAB O=C(CN1CCN(Cc2ccccc2)CC1)N1CCc2[nH]c3ccccc3c2C1 19370038 FZOYVWUZLZGLMV-UHFFFAOYSA-N 388.515 2.870 0 40 GFAB biogenic Cc1cccc(NC(=O)CN(C)C(=O)CCn2c(=O)oc3ccccc32)c1C 7312811 VTXZSVBQJDLFRJ-UHFFFAOYSA-N 381.432 2.699 0 40 GFAB O=c1[nH]c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2ccccc12 7738730 CGTBBVUZLQWVOD-UHFFFAOYSA-N 380.385 2.994 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(OC)c(OC)c1 7810889 KHUUKHWYONISAG-UHFFFAOYSA-N 395.459 2.922 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 8266203 DXELTUZQOOWWJD-UHFFFAOYSA-N 386.477 2.509 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 9419422 HJYAFDYGSHXJNE-SFHVURJKSA-N 397.431 2.543 0 40 GFAB Cc1oc2cc3oc(=O)c(CC(=O)N(C)CC(=O)N(C)C)c(C)c3cc2c1C 9482448 NHZCBNWQJBHNHW-UHFFFAOYSA-N 384.432 2.554 0 40 GFAB CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCCC3)c2c1C 22225925 JOHJJHZAGIUINW-UHFFFAOYSA-N 390.509 2.609 0 40 GFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCc1ccc(Br)s1 72276867 UVLUXSYAYOYARO-NXEZZACHSA-N 376.320 2.656 0 40 GFAB CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 84240403 JLYYTWIADUXANS-INIZCTEOSA-N 380.510 2.853 0 40 GFAB COCCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 409138508 CXCDAHITKTZABM-IZZDOVSWSA-N 388.239 2.846 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2nccnc2c1 9884217 ASFFLIVORZIFBB-UHFFFAOYSA-N 382.445 2.667 0 40 GFAB NC(=O)c1cccc(NC(=O)NCc2nccn2CCCc2ccccc2)c1 84528652 CTYHQNMWDWIIAR-UHFFFAOYSA-N 377.448 2.937 0 40 GFAB CN1CCN(C)c2cc(NC(=O)c3ccc(N4CCCC4=O)cc3)ccc2C1 95462422 VQMYQLYISGOIOY-UHFFFAOYSA-N 378.476 2.947 0 40 GFAB CCc1ccc(OCC(=O)N(C)C[C@@H](O)CN2CCc3ccccc3CC2)cc1 89286332 VASOBULRMXMNSK-JOCHJYFZSA-N 396.531 2.548 0 40 GFAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022833 UUQZHCMBBAHGLL-ZDUSSCGKSA-N 384.390 2.796 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 23458537 WGFXOVUHZBIZRP-UHFFFAOYSA-N 396.871 2.733 0 40 GFAB O=C(COC(=O)COc1ccccc1-c1ccccc1)NC(=O)c1ccco1 21976818 DITZFIZJBOGXFI-UHFFFAOYSA-N 379.368 2.825 0 40 GFAB COc1cccc(C2=NN(C(=O)[C@H](O)c3ccccc3)[C@@](O)(C(F)(F)F)C2)c1 20070045 PZVIBSGZAXDCIX-AEFFLSMTSA-N 394.349 2.616 0 40 GFAB CCN1CCN([C@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 35310868 RHNTXWMAOWIHMY-GOSISDBHSA-N 386.500 2.649 0 40 GFAB CCc1nc2nc3ccn(CCCN(C)C)c(=O)c3c(-c3ccccc3)n2n1 38828710 SEEDWWVHLPILOH-UHFFFAOYSA-N 376.464 2.620 0 40 GFAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 72358730 UJDLGHDONGOXGE-SFHVURJKSA-N 387.443 2.657 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ncccn2)n1 61969153 LQVSUJCWZFTNIR-LBPRGKRZSA-N 379.445 2.706 0 40 GFAB COc1ccc(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124072 ZCUPWBNEQHAAEY-SFHVURJKSA-N 381.432 2.534 0 40 GFAB biogenic COc1cc(OC)cc(OCC(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 218899489 LOVFDTUJEYFEJG-UHFFFAOYSA-N 383.404 2.757 0 40 GFAB Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCc2ccnc(O)c2C1 562340104 QFCWOGXOUHWGBL-HNNXBMFYSA-N 377.448 3.492 0 40 GFAB CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 41085514 MBGNHWPGBWATCV-UHFFFAOYSA-N 398.510 2.861 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 77192084 QEQHQDFTELRYSN-UHFFFAOYSA-N 386.433 2.721 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccccc3)ccc21 225692120 LFIVQBKARDSEEN-UHFFFAOYSA-N 376.503 2.994 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 40033536 XTNAEZHLWHITRC-HZPDHXFCSA-N 378.428 2.800 0 40 GFAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 220441932 MHIUUCBRVIQCHF-CHWSQXEVSA-N 382.432 2.997 0 40 GFAB Cc1ccc(C(=O)Nc2ccccc2C(N)=O)c(I)c1 225023508 XNGVPEZYTCZWNB-UHFFFAOYSA-N 380.185 2.951 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1 96260934 UWLCBMIGBLKCRX-IBGZPJMESA-N 379.460 2.803 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 96225004 BETKJFRKMBEKKO-NRFANRHFSA-N 378.432 2.780 0 40 GFAB COc1ccc(-c2cc(C(=O)NCc3nc4ccccc4[nH]3)[nH]n2)cc1OC 96223176 DVBTZGKJJZBTNS-UHFFFAOYSA-N 377.404 2.900 0 40 GFAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cc(Cl)c3c(c2)OCO3)o1 96114583 JCZQEBHBTUFVNP-NSHDSACASA-N 396.779 2.569 0 40 GFAB biogenic Cc1cnn(CC(=O)N2CCC3(CC2)C[C@H](N(C)c2ccc(F)cc2)CO3)c1 257290165 QBVUMSSVKFSWFC-IBGZPJMESA-N 386.471 2.617 0 40 GFAB O=C(NCCc1noc2ccccc12)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 661121801 RCKYZYJKZMIVQJ-CVEARBPZSA-N 384.480 2.851 0 40 GFAB COc1cccc([C@@H](CO)NC(=O)c2n[nH]c3ccc(Br)cc23)c1 678396149 INFCIOUGPDKJLM-OAHLLOKOSA-N 390.237 2.797 0 40 GFAB Cc1ccnc(CN2CCO[C@@](C)(CNC(=O)CC(C)(C)CC(F)F)C2)n1 1615610521 KPGCEQNBAZZULU-IBGZPJMESA-N 384.471 2.564 0 40 GFAB O=S(=O)(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccccc1Cl 575414377 BVJJVZFUVDDICL-SECBINFHSA-N 394.806 2.535 0 40 GFAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 585177427 PKZZWPBUIDKNGM-QGZVFWFLSA-N 385.449 2.669 0 40 GFAB CC(C)C[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1 57681200 VHBGOIPNHRPESU-SFHVURJKSA-N 384.532 2.878 0 40 GFAB O=C(NCCc1cc(F)cc(F)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 60317707 ZWMGJHDUBAYDGS-LBPRGKRZSA-N 380.341 2.955 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cccc(OC)c1OCC 5871841 MAKIVRQBJSRIDV-MRXNPFEDSA-N 390.461 2.917 0 40 GFAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cn3nc(C)cc3C)CC2)on1 12118358 TXGLAEBWVHHSSO-UHFFFAOYSA-N 394.479 2.968 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OC 17959746 GEEDMRRGFFCIAH-LLVKDONJSA-N 382.869 2.748 0 40 GFAB O=C(COC[C@@H]1COc2ccccc2O1)N1CCCC[C@H]1CCN1CCCC1 19375743 YQMTWXNASXQSRS-RBUKOAKNSA-N 388.508 2.710 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19693506 RLXQASNCBIUGGA-HXUWFJFHSA-N 376.464 2.573 0 40 GFAB Cc1cc2nc(CCNC(=O)c3ccc(N4CCOCC4)cc3)[nH]c2cc1C 19717132 LIMFPRKOLPNQLA-UHFFFAOYSA-N 378.476 2.989 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3O)C2=O)o1 6379970 RMPVMXNZXXWVFR-GHXNOFRVSA-N 376.752 2.518 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)Cn3nc(C)c(C)c3C)c2C2CC2)on1 13226720 GDPUGSCNTZNNAQ-UHFFFAOYSA-N 382.468 2.662 0 40 GFAB Cc1ccc2ncnc(NCCC(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)c2c1 19220691 PTEUEDFFKLGACS-UHFFFAOYSA-N 391.431 2.734 0 40 GFAB O=C1N[C@]2(CCc3ccccc31)CCN(Cc1ccnc(N3CCCCC3)n1)C2 19375267 HTUACNJBTXGRPK-HSZRJFAPSA-N 391.519 2.788 0 40 GFAB CN(C)c1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cc1 1888866534 HBMMXWUKBIEXKW-HDICACEKSA-N 377.492 2.628 0 40 GFAB Cc1nccc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037840661 PYFBVULOEHYNJA-NRFANRHFSA-N 384.455 2.712 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 3043591 NIWIQFVWIMRSGU-OAHLLOKOSA-N 381.457 2.957 0 40 GFAB CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc(C)cc1 4718127 FJTKOWISJHZBTD-OAHLLOKOSA-N 399.476 2.521 0 40 GFAB COc1cc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)cc(OC)c1 12415177 DSEYKYOWUXHKLC-UHFFFAOYSA-N 396.428 2.662 0 40 GFAB COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccno3)nc12 12443813 DWJFOZRMLKBEEN-UHFFFAOYSA-N 390.465 2.900 0 40 GFAB CC(C)C(=O)NC[C@@H]1N(C(=O)C2CC(F)(F)C2)CCCC12CCN(C)CC2 2055793276 JQSKVMJEENVROV-INIZCTEOSA-N 385.499 2.507 0 40 GFAB Cc1oncc1CN(C)C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1 1775972675 QSGNSDWGMOGYRR-UHFFFAOYSA-N 393.426 2.547 0 40 GFAB CN([C@@H]1CCCN(Cc2ccc(Br)cc2)C1)S(=O)(=O)C1CC1 2086889629 DQASHFKVVIMOAG-OAHLLOKOSA-N 387.343 2.838 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)cc1 38946997 YUISUKCJJFCDPP-QZTJIDSGSA-N 384.501 2.774 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 90610625 GVQAGCCSUQRFTA-IBGZPJMESA-N 381.407 2.625 0 40 GFAB CCCc1n[nH]c(=S)n1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10446605 DBSHMQXOZSKIAI-UHFFFAOYSA-N 387.509 2.770 0 40 GFAB CC(C)[C@@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N(C)C 30611210 RKSGBIFRANEPQC-LJQANCHMSA-N 384.524 2.829 0 40 GFAB Cc1sc2ncn(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)c(=O)c2c1C 31628146 FVDYYNCIPLALAM-UHFFFAOYSA-N 397.439 2.773 0 40 GFAB O=C(c1ccccc1F)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101664065 WPQLNCHVMISNPI-UHFFFAOYSA-N 395.434 2.802 0 40 GFAB Cc1cccc(N2N=C(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CCC2=O)c1 32772873 WFEWLFLBYNKLSP-CYBMUJFWSA-N 392.415 2.836 0 40 GFAB NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 11809204 GISQCIHPRZYWNQ-YJBOKZPZSA-N 395.484 2.894 0 40 GFAB CC(C)NC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 46244916 WJSALRPGDQPXOF-UHFFFAOYSA-N 397.475 2.838 0 40 GFAB O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC[C@@H]1c1ccncc1 29789879 MOEJLFCUKOQLCO-LJQANCHMSA-N 385.489 2.747 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 32817725 PYLRXISVWJEBGU-UHFFFAOYSA-N 376.438 2.830 0 40 GFAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c(C)c1 932411 KKJGOMITCSMMJD-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB CCOc1cccc2c1O[C@@]1(C)NC(=O)N[C@H]2[C@@H]1C(=O)Nc1ccc(OC)cc1 102431475 WNPYBFBZEQHPMQ-CBGDNZLLSA-N 397.431 2.811 0 40 GFAB C#Cc1cccc(N(C)S(=O)(=O)c2ccc(Br)c(C(=O)O)c2)c1 78747859 OFNAHVOXEOSBPH-UHFFFAOYSA-N 394.246 2.954 0 40 GFAB O=C(Nc1ccccc1N1CCCCCC1)C1=NN(c2ccccc2)C(=O)CN1 32954270 CSHLURBUXWEMGN-UHFFFAOYSA-N 391.475 2.955 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)ccc21 32987936 OYGMIPBURHITNJ-SFHVURJKSA-N 393.443 2.696 0 40 GFAB O[C@@]12C[C@@H](C(Cl)(Cl)Cl)O[C@]1(O)C[C@@H](C(Cl)(Cl)Cl)O2 4416924 ILZPXCIRVHHHJM-UNTFVMJOSA-N 380.866 2.682 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1C 6471638 DFMVEAXXVXHXKJ-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1 6606259 QHCTXIPQDUKMFQ-MSUUIHNZSA-N 393.424 2.992 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6681727 OTUGCQUAOKJLCV-SNVBAGLBSA-N 382.463 2.775 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C 7361981 YOBMKFJXGBIRGO-UHFFFAOYSA-N 392.477 2.709 0 40 GFAB C[C@@H](NC(=O)COc1ccccc1C(N)=O)c1ccccc1Br 7963740 XXTCAXDJOIBHJC-LLVKDONJSA-N 377.238 2.804 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2ccnc2C)nc1 53545900 BFKSPNJRUDDFJE-HNNXBMFYSA-N 399.476 2.659 0 40 GFAB Cc1cc2ncc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(C)n2n1 22690612 HRLMTUQIUWQNDU-MRXNPFEDSA-N 377.448 2.837 0 40 GFAB CCOCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10330501 UXZXXMJACDAKTN-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB O=C(CCNC(=O)c1ccco1)OCc1cc(Cl)c2c(c1)OCCCO2 17705604 DKUMFVASZCFVTP-UHFFFAOYSA-N 379.796 2.958 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1Cl 8982117 ROBQMEVPCVGCBU-UHFFFAOYSA-N 386.832 2.990 0 40 GFAB COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)C(F)(F)F 910502 LHDJYJZHWINBPR-UHFFFAOYSA-N 378.306 2.844 0 40 GFAB CC[C@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1cccc(S(N)(=O)=O)c1 104904314 OCLTXQPWRPXBTI-SFHVURJKSA-N 396.472 2.672 0 40 GFAB Cn1cc(OCc2ccc(Cl)cc2)c(=O)cc1C(=O)Nc1nncs1 61718773 QIBRMSPVRVHDRC-UHFFFAOYSA-N 376.825 2.722 0 40 GFAB O=C(COC(=O)COc1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 3260024 IBLZLKGTAWLXNI-UHFFFAOYSA-N 393.395 2.807 0 40 GFAB COc1ccc(-c2noc(CCCCCNC(=O)c3cccnc3O)n2)cc1 10102376 RJOFQZWYCUXWLF-UHFFFAOYSA-N 382.420 2.989 0 40 GFAB Fc1ccc(-c2n[nH]cc2CNC[C@]2(N3CCOCC3)CCSC2)cc1 58264645 YHLBBWPBTZREAD-LJQANCHMSA-N 376.501 2.513 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Br)cc1 22273347 RJEMXFQDJDONKR-UHFFFAOYSA-N 397.294 2.532 0 40 GFAB Cc1cc(F)ccc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10833462 VSZOFCZHFVROBS-KRWDZBQOSA-N 376.453 2.766 0 40 GFAB O=C(CCc1nc2ccccc2s1)NCc1ccc(N2CCOCC2)nc1 11115385 LEGVONHHJZBVDJ-UHFFFAOYSA-N 382.489 2.777 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2c(C)noc2C)C(C)C)c1 3359716 OLQKZQNBEZQQHG-SFHVURJKSA-N 390.436 2.806 0 40 GFAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1F 11419601 ZBTFTZOYBDNIAS-LBPRGKRZSA-N 383.379 2.565 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c1C 12754615 PVDPUGFPOKZAHM-QGZVFWFLSA-N 383.473 2.861 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@H](C)c1cccc(Cl)c1 12740225 BYCRBJYYVLRJCQ-LLVKDONJSA-N 399.882 2.908 0 40 GFAB CN(CC(=O)NCCOc1ccccc1)C(=O)c1ccc(Br)s1 48368520 RIZHVRTWHNUFDQ-UHFFFAOYSA-N 397.294 2.778 0 40 GFAB Cc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1NS(C)(=O)=O 12814360 MNWGXXCONFHLKJ-UHFFFAOYSA-N 398.431 2.940 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 3497924 YKCONZVTMUNIKW-MRXNPFEDSA-N 377.780 2.670 0 40 GFAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870552 DFEHBLFEZJGOEO-UHFFFAOYSA-N 394.424 2.543 0 40 GFAB COc1cccc(CN(C)CCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 12911217 BNJAAULOCFGQJH-UHFFFAOYSA-N 399.447 2.637 0 40 GFAB O=c1c(C(F)(F)F)nc2ccccc2n1C[C@H](O)COCc1ccccc1 12950509 DFIACTBXSMMZBX-AWEZNQCLSA-N 378.350 2.993 0 40 GFAB C[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)c1ccccc1 13010915 MKGGXHCKJMTSFP-CYBMUJFWSA-N 384.461 2.701 0 40 GFAB CC(C)OC(=O)[C@@H]1C[C@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 4143812 IHNLSGUEYFDDLL-LHUKNYEISA-N 394.439 2.769 0 40 GFAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1F 4250300 ZBTFTZOYBDNIAS-GFCCVEGCSA-N 383.379 2.565 0 40 GFAB O=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 39519524 GGVRKMWAMRYZOO-INIZCTEOSA-N 387.867 2.988 0 40 GFAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)N1CCc2ccccc21 6114334 YKNILLRIUQBHMR-MRXNPFEDSA-N 392.455 2.944 0 40 GFAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 13843975 RIZWCUIQUOSEJP-JTQLQIEISA-N 380.857 2.720 0 40 GFAB CC(C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 8941391 FJHXZNYBOGHONZ-AWEZNQCLSA-N 389.315 2.517 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 22131655 MDUZPYSKJGOHQQ-UHFFFAOYSA-N 385.493 2.664 0 40 GFAB CN1CC(=O)N(CCCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1=O 39981624 JMJQUBMTBFHOBJ-SFHVURJKSA-N 389.452 2.767 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 4476396 OQIGVDABIMRWDU-GOSISDBHSA-N 375.787 2.885 0 40 GFAB CCOc1cc(CN(CC(=O)NC(=O)NC(C)C)C2CC2)ccc1OC(F)F 14188895 UEIICNFHGIWQOO-UHFFFAOYSA-N 399.438 2.885 0 40 GFAB CCc1ccc(OCC(=O)NC[C@@H](C)NC(=O)COc2ccc(CC)cc2)cc1 4592302 VCXDWVRBDRDSNA-QGZVFWFLSA-N 398.503 2.890 0 40 GFAB CN(CC(=O)N1CCC(c2ccccc2)=N1)S(=O)(=O)c1ccc(Cl)cc1 14336890 KIRXNBLSHQBRCG-UHFFFAOYSA-N 391.880 2.597 0 40 GFAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCCC[C@H]1CCO 5577112 JWVQSGHGONANGP-LBPRGKRZSA-N 393.871 2.783 0 40 GFAB O=C(NO[C@@H]1CCCCO1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 60333071 UAPMCBJQAGXIDT-QGZVFWFLSA-N 394.424 2.815 0 40 GFAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1cc(F)ccc1F 14672022 LAUHWFGKMORURY-JTQLQIEISA-N 398.387 2.520 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)n1 4778520 MQZWBLMRFPEUTO-MRXNPFEDSA-N 395.525 2.908 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1C 4778285 YFPJLRICCWFDNM-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB CCC(=O)N[C@](Nc1nc2c(C)cccc2s1)(C(=O)OC)C(F)(F)F 9109308 NDLCYWZNNDCKIJ-AWEZNQCLSA-N 375.372 2.974 0 40 GFAB Cc1ccc(CN(c2ccc(OCC(=O)NC3CC3)cc2)S(C)(=O)=O)cc1 22231493 QVBZWOYUXYNQLC-UHFFFAOYSA-N 388.489 2.619 0 40 GFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1 7378089 NOQPTVVETAYJGD-MRXNPFEDSA-N 379.526 2.674 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)NCCOc2ccccc2)c(C)c1 7427017 KTWMFARKLNHXDT-UHFFFAOYSA-N 383.477 2.566 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1Cl 8073492 AKYOHKOTBSMYCJ-UHFFFAOYSA-N 381.816 2.546 0 40 GFAB CCSc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)s1 17045862 YBOOZVQLPAFINX-UHFFFAOYSA-N 377.426 2.587 0 40 GFAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3CN3C[C@@H](C)O[C@H](C)C3)cc2nc1C 72274589 PZAQTQHTCZQYLY-SPYBWZPUSA-N 382.508 2.960 0 40 GFAB CCc1nnc([C@H](C)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)o1 95956616 GJPISNUZILBTJF-HNNXBMFYSA-N 382.468 2.869 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1CCCN1c1ncnc2ccccc12 89872931 SWPIWCWFTSRGNS-LPHOPBHVSA-N 392.463 2.613 0 40 GFAB CN(C)c1oc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 408844969 JGIQFDBMLBXCJN-JYRVWZFOSA-N 390.262 2.878 0 40 GFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/C=C/c1ccco1 409060966 APVHLFLHDPUCFH-CZMAMTTRSA-N 398.440 2.992 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2csc(-c3ccco3)n2)C1=O 30521317 XUJWPMQSSXDSCM-IBGZPJMESA-N 396.428 2.905 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306131051 JVIAUTCSXBNKOV-IAGOWNOFSA-N 391.450 2.974 0 40 GFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ncc[nH]1 524729704 FQWVVRAZFLSGJX-SFHVURJKSA-N 387.399 2.553 0 40 GFAB biogenic CN(C)[C@H](CNC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccco1 39484803 IVVSXPWRODYIMI-LJQANCHMSA-N 379.460 2.511 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2C)cc1Cl 33416241 KRBSDHUIQQATMU-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NCCc3ccccc3)ccc21 36360142 XJCMLPQVHCVFOT-UHFFFAOYSA-N 390.365 2.890 0 40 GFAB COc1cc(C(=O)O)sc1S(=O)(=O)NC1(c2nccs2)CCCC1 566177711 WCCOTPBDOBJVBP-UHFFFAOYSA-N 388.492 2.659 0 40 GFAB Cc1cc(C)nc(Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)n1 49029488 MEOLDLBPOLLZHW-UHFFFAOYSA-N 382.449 2.574 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222994109 MVFIDJPLQGKZBU-RBUKOAKNSA-N 379.489 2.886 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)cc1Cl 225411641 PSRFEUKOAIIGJF-UHFFFAOYSA-N 396.852 2.677 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCc2ccccc2Cl)c1 225422115 NECQGDYMJHQRBF-UHFFFAOYSA-N 380.897 2.953 0 40 GFAB CN(c1cccc(C(=O)NCCCn2ccnc2)c1)S(=O)(=O)c1ccccc1 224255792 ATOOTBORLNNPAU-UHFFFAOYSA-N 398.488 2.528 0 40 GFAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nnc(N)s2)cc1 222640099 ZLXJJKDHVLDCFK-UHFFFAOYSA-N 390.490 2.520 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1c(F)cccc1F 223049506 CPRMXJGYXGYXOL-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB CC(C)N1c2sc(-c3ccsc3)nc2C[C@H]1C(=O)N1CCN(C)CC1 96264473 YPUHLZAECKZLCH-HNNXBMFYSA-N 376.551 2.785 0 40 GFAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)COc3ccccc3)ccc21 96182209 QDESKTOREWFBCX-UHFFFAOYSA-N 382.416 2.501 0 40 GFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cccnc1)CC2 96037022 QHYMOIPJWVJABT-UHFFFAOYSA-N 391.523 2.505 0 40 GFAB Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 96183415 RYMUBTRDBPGARL-UHFFFAOYSA-N 387.461 2.515 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 248151243 HCEAKIKVACDQQZ-BULFRSBZSA-N 390.524 2.985 0 40 GFAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1)c1ccccc1 257240689 HURXORKBQCVVOE-CZYKHXBRSA-N 398.478 2.991 0 40 GFAB COCc1ncsc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 585080953 FCPDBXVBRLXZAZ-LBPRGKRZSA-N 393.484 2.881 0 40 GFAB O=S(=O)(c1cccnc1)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257221574 DPQQCKNVXVFZFW-IEBWSBKVSA-N 392.452 2.612 0 40 GFAB Cc1oc(C2CC2)nc1C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 616779111 ZDVAWTBQOUCKEF-KBXCAEBGSA-N 399.495 2.712 0 40 GFAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)C1 624144391 PNQAQQBDPWEMRR-NZSAHSFTSA-N 393.553 2.541 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N(C)C[C@H]2C[C@@H](O)C2)c1 626240077 BFAQCTYFCKNAPF-IYBDPMFKSA-N 397.541 2.569 0 40 GFAB O=C(O)[C@@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)C[C@H]1c1ccccc1 629306057 TTXTXCUWFWUIOG-JKSUJKDBSA-N 395.427 2.637 0 40 GFAB COc1ccccc1-n1ncc(C(=O)N2CCN(c3ccncc3)CC2)c1C 684949044 KVQBCTCJWHYFEQ-UHFFFAOYSA-N 377.448 2.547 0 40 GFAB Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1 585103690 FHORIPGYUACGBS-QFIPXVFZSA-N 383.492 2.851 0 40 GFAB CC[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4ccncc4)CC3)cc2NC1=O 72339706 HVEYQCRMURSVGT-SFHVURJKSA-N 393.443 2.926 0 40 GFAB O=C(Nc1ccccc1Cl)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188814 VJGFSDMIONDXLT-NSHDSACASA-N 379.869 2.637 0 40 GFAB Cc1ccccc1OCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615121860 OMAGLTMDTRRQOR-QHCPKHFHSA-N 394.471 2.798 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)n2)cc1 5298128 BVWIKCVEAYRJIR-RNODOKPDSA-N 395.467 2.507 0 40 GFAB Nc1nc(SCC(=O)Nc2nccs2)sc1C(=O)Nc1nccs1 12360684 AWYKKURMFUEXRA-UHFFFAOYSA-N 398.520 2.621 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1OC 13009995 NLGYTUQPFOINOX-BQYDLMEBSA-N 396.487 2.907 0 40 GFAB CCCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13083752 VTWSOWZJEYMCOA-INIZCTEOSA-N 394.479 2.871 0 40 GFAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccc2c(c1)OC(F)(F)O2 13095439 MINNPQRPEVZPEU-FOSCPWQOSA-N 395.358 2.885 0 40 GFAB COc1ccc([C@H]2CN(C(=O)c3cccnc3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017737 MHEGWHADZDAEHG-NJDAHSKKSA-N 379.460 2.709 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 19078791 BJYDGOBOSGTUJJ-YWZLYKJASA-N 396.491 2.604 0 40 GFAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19209592 KRHZZUDSAKQNSB-HXUWFJFHSA-N 394.519 2.751 0 40 GFAB COc1ccccc1N1C[C@@H](NC(=O)c2ccc(F)c(-n3cccn3)c2)CC1=O 19571017 CHBSRSBSWKSXNH-HNNXBMFYSA-N 394.406 2.555 0 40 GFAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cnn(C)c2)CCO1 19702905 ODHPHGCIEFZBBZ-MRXNPFEDSA-N 399.520 2.742 0 40 GFAB Cc1cc(-c2noc(CN3CC4(CCOCC4)CC[C@H]3CO)n2)ccc1F 528639608 LKPFPASHGLMAKO-INIZCTEOSA-N 375.444 2.938 0 40 GFAB Cn1nccc1-c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)o1 1888979646 LTGKHYLEUZGJNL-UHFFFAOYSA-N 376.775 2.728 0 40 GFAB Cc1ncnc(OCC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C 1565520718 IZNCLDMVMGRGGN-IBGZPJMESA-N 383.448 2.551 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)no1 4078650 JWKCTPSGSBGYRP-CHWSQXEVSA-N 377.466 2.902 0 40 GFAB CCCn1c(C)cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 4250965 STAXSVGFONMMAW-UHFFFAOYSA-N 385.855 2.570 0 40 GFAB CC(C)CNC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 9828499 MFAFZGVZGXAZRJ-UHFFFAOYSA-N 387.914 2.912 0 40 GFAB Cc1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 23105404 KNRXBCDLNLFQMK-UHFFFAOYSA-N 388.471 2.826 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)cc(=O)n1C 225697978 NCEDVUIENMJHGK-LJQANCHMSA-N 377.444 2.778 0 40 GFAB O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)Cc2ccccc2)CC1 43960420 YHYGZSFAHJWCRE-CMDGGOBGSA-N 388.489 2.651 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC(c3nc(-c4ccncc4)no3)C2)s1 49032139 XPMPODNJIIXOBZ-UHFFFAOYSA-N 376.463 2.544 0 40 GFAB O=C(OCc1ccccc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148453 CVVGENQMQHTORQ-UHFFFAOYSA-N 399.369 2.614 0 40 GFAB CCOc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 19533594 NGFSBRDTKUOEIG-MGPUTAFESA-N 396.491 2.652 0 40 GFAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(S(C)(=O)=O)o2)cc1 5043378 UTMBCQSJQAJTEU-UHFFFAOYSA-N 393.442 2.587 0 40 GFAB COCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8486708 AKAKSQGDIARQSE-TZIWHRDSSA-N 389.455 2.791 0 40 GFAB biogenic CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1nn(-c2ccccc2)nc1C 40159588 DWBPNOMHVKUICC-QGZVFWFLSA-N 378.432 2.878 0 40 GFAB Cc1c(C(=O)N2CCN(c3ccccn3)CC2)nnn1-c1cccc(Cl)c1 51317408 FIWQQNKIIRJOBV-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB Cc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n2ncnc2n1 32533880 KJNRVRWDYSZPOA-UHFFFAOYSA-N 397.792 2.827 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 101992948 ORQFGHOGKYZHFZ-VGWMRTNUSA-N 392.242 2.905 0 40 GFAB CCCNS(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1 32732226 BTZGYMVIQZXHPM-UHFFFAOYSA-N 389.502 2.915 0 40 GFAB COCCNC(=O)c1ccccc1NS(=O)(=O)C1=Cc2ccccc2CC1 32899955 AMBYKFAAKXZFCY-UHFFFAOYSA-N 386.473 2.792 0 40 GFAB C[C@@H](CNC(=O)CNC(=O)c1ccco1)c1nc2ccccc2n1C(F)F 32863756 IWWGSEMSWRVVSW-NSHDSACASA-N 376.363 2.674 0 40 GFAB Cc1noc(-c2cccn3c(=O)n(Cc4nc(-c5ccccc5)oc4C)nc23)n1 77200419 RGPFDMGMTZCPMB-UHFFFAOYSA-N 388.387 2.866 0 40 GFAB O=C(Nc1ccc(F)c(-n2cccc2)c1)C(=O)N[C@H]1CCC[C@@H]1n1ccnc1 79023540 UOJTWUYOGNUEAW-IRXDYDNUSA-N 381.411 2.661 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(OC)c2)ccc1F 32990829 NXJQLZJHYMFQRP-UHFFFAOYSA-N 394.468 2.795 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1nc(N2CCCCC2)ncc1Cl 32937180 IGGXQFDXVCVDDL-HIFRSBDPSA-N 394.903 2.972 0 40 GFAB CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C(C)C 32971019 NDAXYAZKJVQQPU-GOSISDBHSA-N 386.521 2.801 0 40 GFAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)cs1 4893386 RHGVEVUIJMJSEB-NSHDSACASA-N 399.472 2.999 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 8415158 UXYLUNQCKAPUML-UHFFFAOYSA-N 383.404 2.546 0 40 GFAB CCn1ncc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1C 2809212 YOJOHJGMLWXQIZ-UHFFFAOYSA-N 385.489 2.845 0 40 GFAB CC(C)CN1CCN(CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)CC1 22918589 OWUIEDQTEAYIDI-QFIPXVFZSA-N 386.540 2.808 0 40 GFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1nnc2ccccn12 55066374 XEVBHORHPHTENJ-UHFFFAOYSA-N 393.369 2.808 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1nc2ccccc2[nH]1 12560312 OYBRBLATLULFIL-NVXWUHKLSA-N 376.460 2.831 0 40 GFAB Cc1cccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 57460493 LEUJDCQNUKDEOB-BJMVGYQFSA-N 381.451 2.930 0 40 GFAB COc1ccc(CN(C)Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)cc1 12565364 VCCSSZOORUPOQM-UHFFFAOYSA-N 395.488 2.815 0 40 GFAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 12557212 NIEYYSKIYHZHMA-UHFFFAOYSA-N 388.445 2.812 0 40 GFAB C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1)n1cncn1 25299904 MGEQWZROKXRZBL-LSDHHAIUSA-N 379.420 2.884 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OC[C@H]2CCCO2)c1 25397061 FQLSFGLMUPTAMF-QGZVFWFLSA-N 375.446 2.848 0 40 GFAB CC(C)[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1nc2ccccc2[nH]1 57355112 LNBWMNNCPOZBES-HXUWFJFHSA-N 378.432 2.802 0 40 GFAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(F)cc1 113893294 RIGXZHISAVMYBO-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)NCc3cccnc3OCC(F)(F)F)C2)n1 58222172 OJRNVQHAFGRXEU-CYBMUJFWSA-N 399.373 2.803 0 40 GFAB CN1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(Cc2ccccc2)no1 20464229 SOMALUJTOWCZDM-ROUUACIJSA-N 380.423 2.975 0 40 GFAB biogenic,in-vitro CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)S(=O)(=O)c1ccc(C)cc1 60043309 LIAALLSRTNUIFY-UHFFFAOYSA-N 378.425 2.944 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CCc2cccc(OC)c2OC)n1 21488283 LERBVPUELKCWCB-UHFFFAOYSA-N 378.450 2.837 0 40 GFAB O=C(Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1)C1CC1 10767653 JXHUEODRRAANFH-MRXNPFEDSA-N 395.434 2.844 0 40 GFAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1 2300864 JGEQBBQMFIMTQM-UHFFFAOYSA-N 384.461 2.576 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 3459198 CGMIQVZNHUBXJZ-ZUOKHONESA-N 375.444 2.579 0 40 GFAB CCN(c1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1)C(C)C 8747120 JQMDMFUINWLRFC-UHFFFAOYSA-N 380.448 2.563 0 40 GFAB CCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC 4064450 HVCNFRMMBHVNIZ-NYVOZVTQSA-N 390.524 2.898 0 40 GFAB biogenic Cc1ccccc1NC(=O)[C@H]1C(=O)N(CCO)[C@]2(C)C[C@H]1c1ccccc1O2 4174422 KVCMLNPUHGIRPP-BPXKWBHBSA-N 380.444 2.667 0 40 GFAB CC(=O)N1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 6313138 KGMVSWTVTRCICF-UHFFFAOYSA-N 376.460 2.649 0 40 GFAB Cc1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c(C)n1Cc1ccco1 65493109 QYDFRJQYBZLYCE-KRWDZBQOSA-N 379.464 2.935 0 40 GFAB O=C([C@@H](O)c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 20070059 DYOTVAYYODWMRP-DOTOQJQBSA-N 382.313 2.747 0 40 GFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 65549809 PGIUSDHLQLTCBB-ZBFHGGJFSA-N 378.900 2.902 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(C)c1 409248965 ITNHNLVODZEVIS-GZTJUZNOSA-N 395.415 2.544 0 40 GFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14240766 BGGRDIZOKRVREF-UHFFFAOYSA-N 393.443 2.507 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c1C 5550902 LHXUINKSXGNSGB-UHFFFAOYSA-N 399.472 2.602 0 40 GFAB O=Cc1ccccc1OCC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 66626984 AXDPLKMGUFQAEH-UHFFFAOYSA-N 388.414 2.937 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CC[C@H]2CCCC[C@@H]2C1 9155963 BAHVXDOUBXOSCJ-IAGOWNOFSA-N 391.475 2.621 0 40 GFAB CCOc1ccc(-c2cc3c(SCC(=O)NCCOC)nccn3n2)cc1 67290308 JBHBXSBCRBCONF-UHFFFAOYSA-N 386.477 2.650 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)cc1 7050187 LCSUYQZROSJBDA-AWEZNQCLSA-N 385.445 2.683 0 40 GFAB Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 7096117 XTFXDTCFRJMUNS-UHFFFAOYSA-N 391.830 2.567 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 7047023 IJYRTRYCHJTUHH-UHFFFAOYSA-N 399.491 2.817 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 7166600 BHAIYFLXFKFSPU-UHFFFAOYSA-N 382.460 2.670 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)c1 7586366 LDHPYPBVJDYGGP-SFHVURJKSA-N 393.447 2.721 0 40 GFAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1Cl 24647365 YVZRTYBSXUAWPE-OAHLLOKOSA-N 394.880 2.844 0 40 GFAB COc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(OC)cc1Cl 8230682 GCVADLAFUGIFTR-UHFFFAOYSA-N 395.843 2.550 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408552757 NNUVBUHMVOISJH-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc4ccc(C)cc4s3)ccc21 9690425 BAYQAFSSYFMJHZ-UHFFFAOYSA-N 380.429 2.880 0 40 GFAB Cc1cc(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)O)c2)ccc1C(=O)O 84090017 OSKGKBYELVMFJN-UHFFFAOYSA-N 387.772 2.985 0 40 GFAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3cc(F)c(F)c(F)c3)n2n1 72403481 YRMQJOLAYNMNRO-UHFFFAOYSA-N 379.342 2.900 0 40 GFAB CN1CCN(c2ccc(CNC(=O)c3cnc(-c4ccsc4)s3)cn2)CC1 95958563 FRVQBBMZQKRPHG-UHFFFAOYSA-N 399.545 2.948 0 40 GFAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)sc2c1CCCC2 409299025 QMMVPESRTYTPGS-PGQUITPISA-N 387.457 2.637 0 40 GFAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCCC2)c1 408709411 SIHINUWGXGXOSO-UHFFFAOYSA-N 379.460 2.922 0 40 GFAB O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(OCCN2CCOCC2)cc1 524732354 SGWFRJLKLBZXIC-UHFFFAOYSA-N 394.393 2.996 0 40 GFAB O=C(Cc1noc(C(=O)NCc2ccco2)n1)Nc1cccc(C(F)(F)F)c1 32087865 PSDMIXLLMASDHV-UHFFFAOYSA-N 394.309 2.793 0 40 GFAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 72384156 NHETXEQCYWVOQI-MRXNPFEDSA-N 391.431 2.680 0 40 GFAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218539337 XUSSLGPJXZAMDG-LNLFQRSKSA-N 378.421 2.791 0 40 GFAB C[C@@H](Sc1ccc(-c2ccccc2)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 71962619 YJCADJCUAJRYSK-CYBMUJFWSA-N 395.484 2.697 0 40 GFAB COc1cc(F)c(S(=O)(=O)Nc2ccccc2Cn2cccn2)cc1OC 32833785 ZBEMPJKZMKKBOL-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB CN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@H]1c1cccc(F)c1 72243781 NLJIPEASEHDXIS-DZGCQCFKSA-N 384.333 2.743 0 40 GFAB COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2o1 32126467 DHIWHPKVJPQADW-UHFFFAOYSA-N 384.417 2.922 0 40 GFAB COCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 39762602 AATJLRUJJUDYPF-UHFFFAOYSA-N 382.376 2.582 0 40 GFAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218062693 ZBFDNCIXENKZHR-BQFCYCMXSA-N 380.849 2.997 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccco1)NC2=O 72339150 PDUFOBXTUSCOGH-OECMAUMKSA-N 396.443 2.859 0 40 GFAB O=C(NCCc1ccccn1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 79491544 XFFWZMHUUQRUSC-UHFFFAOYSA-N 393.896 2.638 0 40 GFAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NC4CCCC4)c(=O)n23)c1 49410698 YUTLOEUIZMJKSD-UHFFFAOYSA-N 394.479 2.619 0 40 GFAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(CN2CCOCC2)cc1 44932402 YPGUSFUDOVVDGN-UHFFFAOYSA-N 376.460 2.635 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222645221 CKTXXRDEKLLWDI-UHFFFAOYSA-N 390.490 2.520 0 40 GFAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223204971 VHHZEGVBKRZPDY-UXHICEINSA-N 399.564 2.598 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)CC1 225041431 NEJYLNZKZQNIHL-UHFFFAOYSA-N 394.522 2.514 0 40 GFAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N1CCC(N2CCNC2=O)CC1 583616722 IGZSYVBOPYIHDH-CVDCTZTESA-N 397.519 2.866 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@H](CC(C)C)C(=O)O)cs2)cc1OC 98037982 NFXMYEZYUNFDEX-CQSZACIVSA-N 392.477 2.985 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCc3ccccc3C1)C=C2 96222583 ZKFVLLDRGUVNRK-UHFFFAOYSA-N 392.455 2.644 0 40 GFAB biogenic CC(=O)Nc1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 243080783 IQQBVUAJAGWUNS-UHFFFAOYSA-N 395.868 2.703 0 40 GFAB Cc1cncc(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 257287363 PPPJSAQYZLHZFS-FQEVSTJZSA-N 389.883 2.569 0 40 GFAB COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 257252794 JWECCBFKMMJTPN-WKILWMFISA-N 395.463 2.602 0 40 GFAB O=C(/C=C/c1cccs1)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 90591170 YQZFGOZMNZTUJM-ZHACJKMWSA-N 380.473 2.803 0 40 GFAB CN1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCc5ccccc5NC4=O)cc3c2C1 616692833 LYALZESWPAZXKY-OAQYLSRUSA-N 388.471 2.839 0 40 GFAB Cc1ccc(Br)cc1Cc1noc(CN2CCCC[C@H](O)C2=O)n1 643968017 TWEFBDRCKSVINZ-AWEZNQCLSA-N 394.269 2.605 0 40 GFAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1ccccc1F 390826947 CXDPKSPRDVIYHS-UHFFFAOYSA-N 384.396 2.626 0 40 GFAB NC(=O)c1cccc2c1CCN(C(=O)NCc1nc3ccccc3n1C1CC1)C2 664663493 LFFXQROFWPXYHI-UHFFFAOYSA-N 389.459 2.738 0 40 GFAB CCN(Cc1ccccc1NC(=O)N1CCc2c(cccc2C(N)=O)C1)C(C)=O 665534376 QRKUWCUVHSRVKY-UHFFFAOYSA-N 394.475 2.744 0 40 GFAB CCN1CCN(c2ccc(CNC(=O)N[C@@H]3Cc4ccccc4[C@@H]3C)cn2)CC1 585094349 MRUYNIOWXQEIFR-LAUBAEHRSA-N 393.535 2.751 0 40 GFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)N1CCc3ccccc3C1)C2 90609664 FZYQEWZWJVIKTH-INIZCTEOSA-N 383.517 2.848 0 40 GFAB Cc1ccc(CC(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 1615154031 DETVLKPMIITCHD-QHCPKHFHSA-N 378.472 2.962 0 40 GFAB CCOC(=O)[C@H]1C[C@]2(C)C(=O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 1547139815 LKQRJDNQXYKHIT-UWVAXJGDSA-N 393.505 2.839 0 40 GFAB CC(=O)NCC1(c2ccccc2)CCN(C[C@H]2COc3ccccc3O2)CC1 5196905 WSWPNPUMDWOKAR-FQEVSTJZSA-N 380.488 2.996 0 40 GFAB in-man O=C1N[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5525119 FVUGRJYVDVXNIE-ZENOOKHLSA-N 399.756 2.839 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N[C@@H]3CCCc4ccccc43)n2)c(C)o1 12146791 PYSUGHVACNSKLS-LJQANCHMSA-N 392.459 2.896 0 40 GFAB CCc1ccc(CN(C)C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 12790919 UUGFYVQPPBROTM-UHFFFAOYSA-N 393.487 2.764 0 40 GFAB COc1ccc2nc(NC(=O)CSCC(=O)Nc3cc(C)on3)sc2c1 12881813 RXNQBHNQDZQNAO-UHFFFAOYSA-N 392.462 2.912 0 40 GFAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)c2ccc(C)cc2)C3)C1 19136230 HMWKMTNOEPRJLJ-LPHOPBHVSA-N 392.503 2.809 0 40 GFAB Cc1nnnn1-c1ccc(CC(=O)N[C@H](c2ccncc2)c2cccs2)cc1 19288443 YKHFNDCCZNPQSQ-HXUWFJFHSA-N 390.472 2.876 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cn3cccn3)cc2N1 19574766 KKKDGNPKLUJMRG-MRVWCRGKSA-N 382.390 2.751 0 40 GFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cc[nH]n2)C1 19591544 UINGVFGGFYKEHB-OAQYLSRUSA-N 394.500 2.959 0 40 GFAB COc1ncccc1-c1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2cccc(F)c2)n1 19594663 GGOKATYSYYASLS-KRWDZBQOSA-N 394.406 2.957 0 40 GFAB CO[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1cccc(F)c1 227682843 HWCOVDIWWAIOPN-GMBSWORKSA-N 383.485 2.828 0 40 GFAB CC(=O)NC1(c2ccccc2F)CCN(C[C@@H](O)c2ccc3c(c2)CCO3)CC1 12188279 YRDZOHVCHQVGDT-OAQYLSRUSA-N 398.478 2.921 0 40 GFAB C[C@@H](C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1)N1CCCCC1 12219680 UUQDGKCVFRMPJC-INIZCTEOSA-N 395.507 2.825 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2cccc3ncccc23)n1 12366064 GWSPFYMLTYGHTF-LIMIJEPZSA-N 390.487 2.658 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@H]1CCCO1)[C@@]1(C2)NC(=O)c2ccccc2N1 253596410 QVXMXTCAIIWPSN-FIKDTRSESA-N 383.492 2.660 0 40 GFAB Cn1nccc1[C@@H](NC(=O)c1ncc2cc(Cl)ccn12)C(=O)OC(C)(C)C 594371985 NSZFLFBGHFXZDK-CQSZACIVSA-N 389.843 2.534 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1F 23846712 MPXSQNKYBQQEDL-UHFFFAOYSA-N 394.450 2.978 0 40 GFAB Cc1cc(-c2noc(CNS(=O)(=O)c3ccccc3C(F)(F)F)n2)no1 238811613 ALGMHPYXPDNLFW-UHFFFAOYSA-N 388.327 2.530 0 40 GFAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1cc2ccccc2oc1=O 238972858 ZOSJOOCHZGUQRC-UHFFFAOYSA-N 378.344 2.638 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)CC(=O)NCCc2ccccc2N3)ccn1 2037988770 HRVHDJWXAORXHE-UHFFFAOYSA-N 378.476 2.539 0 40 GFAB Cc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2cc(F)ccc2N1 4853605 NVTXSEQSWUHHIP-UHFFFAOYSA-N 379.438 2.976 0 40 GFAB COc1ccc(N(C(=O)c2cccc(F)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 5080821 YLCKBLNLRODLNR-OAHLLOKOSA-N 391.420 2.800 0 40 GFAB O=C(NCCCn1nc(-c2ccncc2)ccc1=O)Nc1ccc(F)cc1F 11747068 RSJCHXMOSRLKMT-UHFFFAOYSA-N 385.374 2.795 0 40 GFAB COc1cc(NC(=O)Nc2c(C)nc3c(C)cccn3c2=O)cc(OC)c1OC 13707424 RIRGHOFRMPHXFJ-UHFFFAOYSA-N 398.419 2.981 0 40 GFAB COc1cccc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H]2Cc2cccnc2)c1 2055718129 WVUHMNMJPOCRQF-PKTZIBPZSA-N 380.536 2.523 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc(-c2ccsc2)o1 575609856 IQCSBUHMTNDGRN-UHFFFAOYSA-N 384.413 2.669 0 40 GFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)NCc1cccs1 206803966 NZAGAIULQBJGSC-WFASDCNBSA-N 378.425 2.792 0 40 GFAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)o1 5169299 CTNILLMQXHMDBF-UHFFFAOYSA-N 378.388 2.627 0 40 GFAB CCOC(=O)Cn1/c(=N\C(=O)c2ccnn2C)sc2cc(C(C)C)ccc21 13656281 LWSKQEFEFYLPRY-XUTLUUPISA-N 386.477 2.864 0 40 GFAB CCN(Cc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430568 XHRMPHKWTFBQAW-UHFFFAOYSA-N 384.867 2.847 0 40 GFAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)nc1 40086542 WUCQJXKDZXCUAN-NRFANRHFSA-N 378.432 2.718 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4)[C@H]3C2=O)cc1Cl 100036734 OJUPUFGIEMIFIK-DLBZAZTESA-N 397.822 2.580 0 40 GFAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116629 AVGHEPBAMXHEIX-QGZVFWFLSA-N 385.386 2.635 0 40 GFAB CC[C@H](C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1)c1ccccc1 30648669 POSHLJUXYRUKOJ-FQEVSTJZSA-N 390.487 2.533 0 40 GFAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4cccc(F)c4)ncn3n2)c1 51317046 PQOPDLWWOLADFQ-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB CN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc2C1=O 32082164 XOBPOOREYZTTKL-QGZVFWFLSA-N 385.851 2.599 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N3)cc1 20738234 PIRPBGCZPFIJGD-OAHLLOKOSA-N 381.367 2.615 0 40 GFAB COc1cccc(CN(C)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1 20916571 LQPJHWWMZUVQEW-CQSZACIVSA-N 388.489 2.678 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H](C)O[C@H](C)C1 20925606 JYQRAOVQVWWAHK-DVOMOZLQSA-N 384.929 2.827 0 40 GFAB Cc1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 32859795 RCWGQIVKVYATEK-INIZCTEOSA-N 395.459 2.596 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 871939 QAPZSAAXEKMHHO-HXUWFJFHSA-N 398.484 2.794 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 32841828 QWSDOUXDPJFZAO-HNAYVOBHSA-N 384.455 2.556 0 40 GFAB Cc1ccccc1N1CCN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 32802789 IOIPRMDOSPYPLR-UHFFFAOYSA-N 396.491 2.724 0 40 GFAB C[C@@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)[C@@H]1C 33028588 WYFLJIQTBOSTTC-IJLUTSLNSA-N 378.947 2.963 0 40 GFAB COc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc(OC)c1OC 12169222 MXCNQOVUYVYLOQ-NSHDSACASA-N 386.404 2.708 0 40 GFAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc2ccccc2s1 8327785 CUMMQHYRMFWMDU-UHFFFAOYSA-N 387.438 2.903 0 40 GFAB Cc1nn(C)c2sc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc12 22372781 FZFCNUCLNITKMR-QGZVFWFLSA-N 384.505 2.747 0 40 GFAB CCOC(=O)[C@@](NC(=O)NCCc1ccccc1F)(OCC)C(F)(F)F 12412211 TVIMAYMEQGLOKE-OAHLLOKOSA-N 380.338 2.526 0 40 GFAB CN(Cc1ccccc1Br)C(=O)Cn1cnc2ccccc2c1=O 22876102 YCHXWVXCUFDCCZ-UHFFFAOYSA-N 386.249 2.818 0 40 GFAB OC1(c2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1nnnn1Cc1ccccc1 100751189 CNLDSZHUORCCES-PMACEKPBSA-N 393.466 2.875 0 40 GFAB CC(=O)c1ccc(OC[C@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)cc1 42755502 HPUUELNKVKVZGY-MRXNPFEDSA-N 382.416 2.758 0 40 GFAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 12552486 SMMHYNGDUIPOAM-LFYBBSHMSA-N 386.429 2.712 0 40 GFAB COC(=O)C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)OC 24971008 HVKXDHXZHAQZDE-SJLPKXTDSA-N 387.457 2.741 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 28305732 FQWHMVXIRBCISW-KRWDZBQOSA-N 394.475 2.775 0 40 GFAB C[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCCCO2 48220796 DOTDZHDXARSRDH-AWEZNQCLSA-N 381.494 2.773 0 40 GFAB Cc1cc(N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)n2ncnc2n1 26759141 CBHXBOLLEYFQKF-AWEZNQCLSA-N 379.493 2.926 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10227793 PBNYQARRNOULMV-KUHUBIRLSA-N 380.444 2.785 0 40 GFAB COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1 58217583 FZQXSIUJYFQMBD-INIZCTEOSA-N 378.432 2.719 0 40 GFAB C[C@H](CCc1ccco1)NC(=O)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 12762192 YIXMRVHVOLYXCV-BVGQSLNGSA-N 390.480 2.699 0 40 GFAB Cc1cc(C)cc(N(CCCC(=O)NCc2cccnc2)S(C)(=O)=O)c1 113966826 SPMNGTBTJJPAGL-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB COCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1 22448562 UYVMLSXUZRUIJX-UHFFFAOYSA-N 390.487 2.834 0 40 GFAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1 36357405 FXNPCXRUVUTPKR-UHFFFAOYSA-N 375.384 2.922 0 40 GFAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCCN(CCc2ccncc2)CC1 36351182 DZWRRKHVFXZYKI-NRFANRHFSA-N 378.476 2.939 0 40 GFAB COC(=O)c1cc(Cl)c(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1OC 48364426 QWQBHENVMXWGGQ-UHFFFAOYSA-N 394.855 2.722 0 40 GFAB C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCCO2 12891702 IYHLOPYXIAKTTK-CYBMUJFWSA-N 380.400 2.602 0 40 GFAB C[C@@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)c1cccc(Cl)c1 12856481 XEDWTJSNTUOYKJ-GFCCVEGCSA-N 384.819 2.944 0 40 GFAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 3464659 SJEKSCYYZOBTTP-LJQANCHMSA-N 395.406 2.504 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 3521288 IHWMWNVCXFWLBJ-LBPRGKRZSA-N 381.388 2.886 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccccc2)Oc2ccc(Cl)cc21 38832810 USCRYLOJAYOBLV-KRWDZBQOSA-N 394.880 2.574 0 40 GFAB CCCc1cc(=O)[nH]c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)n1 8694157 DWAGVMCCXTWJCS-UHFFFAOYSA-N 377.466 2.819 0 40 GFAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(-n2cnnn2)c1 14095854 CPOGQUVTZSJDFD-UHFFFAOYSA-N 392.400 2.767 0 40 GFAB O=C(CCC(=O)N1CCOCC1)NCc1ccc(Oc2ccc(F)cc2)cc1 14198024 FPXZLZGMTBVVFR-UHFFFAOYSA-N 386.423 2.873 0 40 GFAB CCOC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1 4727719 MBGVZCSCHZJRER-UHFFFAOYSA-N 385.811 2.809 0 40 GFAB Cc1occc1C(=O)NC1CCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 66479896 UHDBLUOEPYUBDJ-LIRRHRJNSA-N 384.432 2.537 0 40 GFAB CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5839822 FVMPUWJDPPNAHE-UHFFFAOYSA-N 377.491 2.840 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@H]32)C1=O 4915863 GTRUDZSJTUUBAT-AWEZNQCLSA-N 395.381 2.657 0 40 GFAB COc1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)cc1OC 67335517 CUSWKARGSMEBDZ-UHFFFAOYSA-N 398.444 2.738 0 40 GFAB CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2O1 7253146 RJYMQVVNCBXNKN-OAHLLOKOSA-N 394.258 2.946 0 40 GFAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 7248472 ASGIPNMGHXYRSY-JCVNQNCUSA-N 391.942 2.786 0 40 GFAB Nn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1cccnc1 7786663 GYBCMMOHIFJLAR-UHFFFAOYSA-N 391.456 2.941 0 40 GFAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1ccc2[nH]ccc2c1 96115702 LOZYABGJVRAUQQ-SFHVURJKSA-N 376.416 2.660 0 40 GFAB biogenic COCc1n[nH]c(-c2cccc(NC(=O)CCCc3nnc4ccccn34)c2)n1 96118742 YZNOVNFTHSNDHP-UHFFFAOYSA-N 391.435 2.622 0 40 GFAB O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccnc1C(=O)O 9225096 UEDIGZZJAOQEHL-UHFFFAOYSA-N 387.351 2.833 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)NCCCn3nc(C)cc3C)CC2=O)c1 8394224 VUJVYHGRBXYMFH-INIZCTEOSA-N 386.521 2.781 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 8349670 HXUPWCQGNGHTTP-OAHLLOKOSA-N 398.488 2.645 0 40 GFAB C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)c(Cl)c1 95369437 RGNIUBHKGWQIEE-NSHDSACASA-N 381.835 2.911 0 40 GFAB O=C(CCn1cnc2ccccc21)Nc1ccc(C(=O)N2CCC(O)CC2)cc1 95451285 RUYUFFUUVBOLST-UHFFFAOYSA-N 392.459 2.662 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c(O)c(OC)c1 85412928 YULFLJNZBMDUAQ-HNAYVOBHSA-N 398.367 2.582 0 40 GFAB CSc1nc(C)c(CCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c(=O)[nH]1 9980355 HEJNFXFVXHRYMP-UHFFFAOYSA-N 394.884 2.983 0 40 GFAB Fc1ccc(CN2C[C@H]3c4nc(NCCN5CCCC5)ncc4C[C@H]3C2)cc1 306130604 JKUMCOQTDNWRFT-AZUAARDMSA-N 381.499 2.895 0 40 GFAB Cc1cc(C)cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c1 408992209 ZZJPECQUAGIFGX-OAQYLSRUSA-N 399.450 2.978 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(CO)ccc12)N1CCN(Cc2cccs2)CC1 36357994 DPFZWLZZPKAXDY-IBGZPJMESA-N 385.489 2.665 0 40 GFAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(OC3CCCC3)nc2)C1 524923643 CVZRNGFTISDPEM-NVXWUHKLSA-N 395.525 2.558 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cc2ccccc2n(C)c1=O 71280135 JPOVIAVBIJHGSY-AWEZNQCLSA-N 394.431 2.730 0 40 GFAB O=C(O)c1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)cs2)c1 563543141 PVKCSXOZGWEURB-UHFFFAOYSA-N 381.461 2.621 0 40 GFAB O=C(CCn1cnccc1=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 556770083 NNRCXXSVSGWJCS-SFHVURJKSA-N 377.448 2.777 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)Cc2ccccc2)cc1 39986137 YHSBKFPEQRXETC-UHFFFAOYSA-N 390.505 2.755 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1OC 71769036 LJWBRBDBXLJGMU-UHFFFAOYSA-N 399.422 2.849 0 40 GFAB COc1ccc(Cl)cc1C(=O)Nc1c(C)nc(N2CCOCC2)nc1C 224300814 QRGCVPJJSXCTJU-UHFFFAOYSA-N 376.844 2.844 0 40 GFAB Cn1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c2c1CCS(=O)(=O)C2 41070506 MEXJYHWEBSDREJ-UHFFFAOYSA-N 397.456 2.936 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(OC)c1 223081413 WMSXYUJOBSTPET-SFHVURJKSA-N 392.477 2.887 0 40 GFAB Cn1cc(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)ccc1=O 572912488 ZLRMDIMQGFPHBH-UHFFFAOYSA-N 378.831 2.700 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)c1 49008172 WTNHJDRSYGXBNV-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1C 222993599 CENGRNZADVYNPI-UHFFFAOYSA-N 395.477 2.850 0 40 GFAB C[C@@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841294 RHWZHWWGLQKBPC-INIZCTEOSA-N 388.895 2.798 0 40 GFAB COc1cccc(N(CCCC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 222586985 MTMQWRPZVUMRQY-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1ccc2[nH]c(CO)nc2c1 97272348 NXVCMKHZUYQDDU-SFHVURJKSA-N 378.476 2.665 0 40 GFAB Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2CC(C)C 96251558 RNIYIJSWCDTYGU-RBUKOAKNSA-N 393.553 2.746 0 40 GFAB Cn1cnc2cc(CCC(=O)Nc3nc(Cc4ccc(F)cc4)n[nH]3)ccc21 95478474 PXDPUGVXTYEGNF-UHFFFAOYSA-N 378.411 2.993 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(CO)C(=O)O)cc1 242687806 UWFYGLGCIPEKSP-JZXOWHBKSA-N 380.849 2.651 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1Cl 257238977 HNJAWMTUJUXBDO-APWZRJJASA-N 377.916 2.802 0 40 GFAB CO[C@H]1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@]12CCCO2 257255202 KGNMRQCPCINESF-MAUKXSAKSA-N 379.457 2.644 0 40 GFAB CC(C)[C@@H](C(=O)N1C[C@@H](CO)Cc2ccccc21)N1Cc2ccccc2C1=O 615119375 KBKUANDTGJBDSA-KKSFZXQISA-N 378.472 2.865 0 40 GFAB Cc1nn(CCO[C@@H]2CC2(F)F)c(C)c1S(=O)(=O)N1CCc2ccccc21 663942467 QBGIXTJJMPDVDB-MRXNPFEDSA-N 397.447 2.676 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NCc1ccnc(-c2ccncc2)c1 390826577 NNDMLOZYPMIJES-UHFFFAOYSA-N 385.427 2.560 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 390827831 KWQLXFGTTYFCBA-CYBMUJFWSA-N 399.472 2.795 0 40 GFAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 55701151 NCCNEHFNZLCMKJ-INIZCTEOSA-N 396.553 2.583 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 96000037 GUMMHYGAHWLXMI-OAHLLOKOSA-N 385.468 2.702 0 40 GFAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)C(C)(C)O2 5977094 SSHSBEGUBZOBMX-UHFFFAOYSA-N 395.459 2.968 0 40 GFAB CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 5979685 QQKFJVTXXQYHHJ-UHFFFAOYSA-N 388.464 2.816 0 40 GFAB O=C(COc1ncnc2ccccc12)NC1CCN(Cc2cccc(F)c2)CC1 12201692 BWEVMVURGYWXBR-UHFFFAOYSA-N 394.450 2.929 0 40 GFAB COCCc1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cn1 12293162 WYCWIFRBVXJXAA-VSOVRNOCSA-N 383.492 2.689 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 19403275 RJZNBHMCPIBZIA-HNNXBMFYSA-N 392.415 2.809 0 40 GFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CC1CC1)C2 19701291 JQHGXFOZUHFGLK-IBGZPJMESA-N 395.482 2.709 0 40 GFAB CN(C)c1ncccc1CN1CC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19702444 KTHLBWBVFQWHAU-CYBMUJFWSA-N 381.505 2.846 0 40 GFAB Cc1nc(C2CCN(Cc3ccc(F)cc3)CC2)ncc1C(=O)N1CCOCC1 19766539 MJGBBAWBCRGTBT-UHFFFAOYSA-N 398.482 2.776 0 40 GFAB CC(C)(C)Nc1c([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)nc2ccccn12 12088140 XZXMYYRCYDJCJM-CABCVRRESA-N 383.496 2.529 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cccs4)C[C@@H]32)c(OC)n1 12327557 WSBXVIBJOGEHFY-ACWOFJMJSA-N 375.494 2.675 0 40 GFAB O=C(c1ccc(-n2cnnc2)cc1)N1CCN(c2nc3ccccc3s2)CC1 19655986 GIAIIIGTPVJGLE-UHFFFAOYSA-N 390.472 2.839 0 40 GFAB CC(=O)N[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccccc1 9384792 CGDRYAJGVJVNBF-BLLLJJGKSA-N 389.839 2.873 0 40 GFAB Cc1cnc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)cn1 1888897016 GJCLRYGRRYQLOU-CALCHBBNSA-N 390.491 2.924 0 40 GFAB CN1C(=O)COc2ccccc2CCCCO[C@H]2CN(Cc3cccnc3)C[C@@H]21 2037981164 XOHWSJQPOHJIIK-UNMCSNQZSA-N 395.503 2.525 0 40 GFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc(OC)c1OC 844489 PUUPZVBABQDLSU-INIZCTEOSA-N 378.425 2.540 0 40 GFAB CCOC(=O)[C@](O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F 2300662 KOIDWUKABZSRTE-MRXNPFEDSA-N 387.310 2.854 0 40 GFAB O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2456993 GBRKWENJAJLTBE-UHFFFAOYSA-N 390.465 2.764 0 40 GFAB COCCn1c(S)nc2cc(C(=O)N3CCc4ccccc4C3)ccc2c1=O 2969753 NZDQVNPKECPDSI-UHFFFAOYSA-N 395.484 2.530 0 40 GFAB Cc1ccc(N2C[C@H](NC(=O)NCCN(C)Cc3ccccc3)CC2=O)cc1 4373170 GCNSUMLLYYQHPH-LJQANCHMSA-N 380.492 2.532 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1N 5257430 BAYFAESJJGGOJB-UHFFFAOYSA-N 383.477 2.631 0 40 GFAB COc1ccccc1Cn1c(=O)c2cccnc2n(Cc2ccc(C)cc2)c1=O 9831025 KOWNSZKVJMUDEI-UHFFFAOYSA-N 387.439 2.972 0 40 GFAB COc1ccc2nc(N(CCCN(C)C)C(=O)c3cc(C)nn3C)sc2c1 12229346 HSPRAXXBVZZCML-UHFFFAOYSA-N 387.509 2.945 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCCN5)ncc4C3)ccc2O1 19497963 DTBKCMZUXJFLSG-KUHUBIRLSA-N 378.476 2.813 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 55579368 XJQWVYGZBNFCEY-VAWYXSNFSA-N 392.502 2.848 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)cc1 31605722 JSMKAUADUSNIJO-PMDBQALLSA-N 387.823 2.678 0 40 GFAB COc1ccccc1N1CCN([C@H]2OC(=O)c3c2ccc(OC)c3OC)CC1 31807845 KYUOJDLUNQCDLT-FQEVSTJZSA-N 384.432 2.704 0 40 GFAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cnn(-c3ccc(Cl)cc3)c2)s1 101720171 USTGXVVKQVIGOP-LNTWMMFKSA-N 387.892 2.500 0 40 GFAB COC(=O)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)s1 29929346 SYHOFJIKFZFJLS-INIZCTEOSA-N 388.489 2.646 0 40 GFAB COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cccc(OC)c1OC 815865 CDOHFGZKALONLS-UHFFFAOYSA-N 375.421 2.625 0 40 GFAB COc1cc(F)c(S(=O)(=O)NCc2nc3cccc(C)c3n2C)cc1OC 79110961 BHDOAXNIJYQZQH-UHFFFAOYSA-N 393.440 2.517 0 40 GFAB CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)n(C)c1 32909959 JWLHJXLVNNLIFB-OKILXGFUSA-N 383.448 2.729 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)cc1C(N)=O 7022826 VUHRVEMNNLHKPD-LLVKDONJSA-N 387.823 2.582 0 40 GFAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1-c1nnc[nH]1 10028448 GSUDVXDBDFMMMF-UHFFFAOYSA-N 383.437 2.576 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1Cl 10334596 KZENAZPQWAEFMZ-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccccc3N3CCCC3)ccc21 8164154 TWBSTIKMUZXFLZ-UHFFFAOYSA-N 378.432 2.562 0 40 GFAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8273330 TYEVNBABXGCHDP-KRWDZBQOSA-N 396.871 2.949 0 40 GFAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N(C)C)nc1)C(C)C 22396322 MOTMUOPXPVDITJ-IBGZPJMESA-N 384.480 2.939 0 40 GFAB COc1ccccc1/C=C/C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 42059015 HBNUFOMINZDGDX-IZZDOVSWSA-N 383.467 2.786 0 40 GFAB Cc1csc(NC(=O)CCCc2nnc3ccc(-n4nc(C)cc4C)nn23)n1 71283824 WWEBIFJPKMPOJM-UHFFFAOYSA-N 396.480 2.653 0 40 GFAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 12546106 QGJXWEZHBFSZCA-CYBMUJFWSA-N 388.265 2.556 0 40 GFAB O=C(Cn1cnc2ccsc2c1=O)NCCSCc1ccccc1F 9112653 QJSDAQWYTZKAKQ-UHFFFAOYSA-N 377.466 2.647 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 24609254 JODGSVRENRBBHU-UHFFFAOYSA-N 386.517 2.853 0 40 GFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1910795 RZIVBCQHQSKEPF-GOSISDBHSA-N 398.390 2.628 0 40 GFAB CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N(CC)CC)cc2oc1=O 2091857 NXLZJLYDQIWJCT-UHFFFAOYSA-N 389.448 2.844 0 40 GFAB biogenic Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3F)C2=O)o1 58185725 QTIBMIQQDUHNTP-QGZVFWFLSA-N 379.775 2.786 0 40 GFAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)Nc1ccccc1SCC(F)(F)F 58293350 QQHGVYSTQJPICP-NSHDSACASA-N 397.440 2.873 0 40 GFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 113959057 YRDXOXZWBPTVBK-QRQLOZEOSA-N 376.522 2.921 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1 116714715 ZHSDSGCXNIERHB-UHFFFAOYSA-N 389.351 2.994 0 40 GFAB O=C(CCn1cncn1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12781307 CXTAWIWXYFIIPW-UHFFFAOYSA-N 386.459 2.896 0 40 GFAB CC(=O)c1ccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 10827325 SMOMPSKYDMTNBB-LJQANCHMSA-N 386.473 2.521 0 40 GFAB NC(=O)[C@H](c1ccc(F)cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12781714 UZTMDOJFIWLBSO-FQEVSTJZSA-N 398.434 2.718 0 40 GFAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCCc2ccccc21 45593784 QKMJGWHRQDXVQO-LBPRGKRZSA-N 391.393 3.000 0 40 GFAB COc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cn1 48341866 MTOPCBLPCQEVDW-UHFFFAOYSA-N 386.433 2.559 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1 12935690 GPXIYIYKSHBHRN-UHFFFAOYSA-N 388.489 2.531 0 40 GFAB COc1cc(CCNC(=O)[C@H](C)NC(=O)c2ccccc2)ccc1OC(F)F 12916685 HHXDRYFHSGNJHC-ZDUSSCGKSA-N 392.402 2.774 0 40 GFAB Cc1sc2ncn(CCC(=O)NC[C@H](c3ccccc3)N(C)C)c(=O)c2c1C 12918247 VGEZUKLVYMBMFM-QGZVFWFLSA-N 398.532 2.884 0 40 GFAB Cc1ccc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 13058577 GQKMLILOKBUQFZ-UHFFFAOYSA-N 379.382 2.599 0 40 GFAB NC(=O)Cc1csc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)n1 63917907 HWJPFSADYFKNKK-UHFFFAOYSA-N 392.484 2.986 0 40 GFAB COC(=O)c1ccccc1NC1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O 4369453 GCFSOKVAERXBJU-UHFFFAOYSA-N 386.791 2.918 0 40 GFAB CN1CCN(C(=O)C2(NC(=O)Cc3ccc(Cl)c(Cl)c3)CCCC2)CC1 65587122 RSPXISMZMGBHSB-UHFFFAOYSA-N 398.334 2.739 0 40 GFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 14163416 JVWPVXJXZYZQJA-SFHVURJKSA-N 381.476 2.646 0 40 GFAB CC(C)[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 14241517 NFTKCIMEUKRIRJ-LJQANCHMSA-N 389.473 2.988 0 40 GFAB COc1cc(OC)c([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1OC 5555714 BKZYZUTVYVUUGW-GOSISDBHSA-N 381.384 2.994 0 40 GFAB biogenic COC(=O)c1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1N1CCOCC1 4711515 KYKVZKYFSDTPLH-UHFFFAOYSA-N 398.459 2.944 0 40 GFAB COc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)c1 6743246 KINAKMGFRQTQHR-NRFANRHFSA-N 393.443 2.945 0 40 GFAB Cc1ccc(SCC(=O)NCc2ccc(CS(N)(=O)=O)cc2)cc1C 8745837 OLBNJDKGKFGTEC-UHFFFAOYSA-N 378.519 2.500 0 40 GFAB CC(C)c1noc(-c2ccc(-n3cnc(C(=O)NCc4ccco4)c3)nc2)n1 65251175 KPLRMEUFGLRCEY-UHFFFAOYSA-N 378.392 2.964 0 40 GFAB COc1ccccc1CC(=O)NCc1nc(-c2ccc(OC)c(OC)c2)no1 4943705 SAFOSRSNZDXUML-UHFFFAOYSA-N 383.404 2.621 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 7421772 JJTUEVZLVHESFC-UHFFFAOYSA-N 391.417 2.801 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc2nsnc12 19080134 HADUQRFPZNTTSS-UHFFFAOYSA-N 399.501 2.972 0 40 GFAB CCN(C(=O)COC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccc(F)cc1 22981929 ZUOFADQMDODHKW-UHFFFAOYSA-N 386.423 2.769 0 40 GFAB COC(=O)c1nc(NC(=O)c2cnc3scc(C)n3c2=O)sc1C(C)C 72400980 CEVVKMJYPVUCCQ-UHFFFAOYSA-N 392.462 2.683 0 40 GFAB Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207883 WZJJVWWDZZIVJO-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CN(C)C1(CNC(=O)c2cc3ccccc3nc2N2CCCC2)CCOCC1 95959525 JHXZKBWGDDNEOJ-UHFFFAOYSA-N 382.508 2.676 0 40 GFAB C[C@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCCc4cn[nH]c43)cc2)C[C@@H](C)O1 89936691 GOFWVXNPHPCHLP-GQIGUUNPSA-N 382.508 2.755 0 40 GFAB CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OCC)cc1 408624925 UNZXKIQUTNIAKJ-UHFFFAOYSA-N 382.526 2.935 0 40 GFAB CCOc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409241691 SZMWEFVEUVHBFJ-FOWTUZBSSA-N 395.415 2.625 0 40 GFAB CN(C)C(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccccn3)C(=O)C[C@@H]12 306136852 QFBNFVGXDHALOY-NFBKMPQASA-N 392.503 2.898 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCn1cccn1 30171933 LSLKFLZOBIUXAA-INIZCTEOSA-N 394.928 2.595 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C 408619687 IMTILLMKLRHZJV-UHFFFAOYSA-N 391.468 2.603 0 40 GFAB CN(C)c1ccc(Cl)cc1NC(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 548678426 UJSSFKFXEWABNN-CQSZACIVSA-N 399.886 3.167 0 40 GFAB COc1c(C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)[nH]c2ccccc12 508702468 CZTTYESMWFFDTH-UHFFFAOYSA-N 399.472 2.747 0 40 GFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br 408818141 PBDQIOUOKNWNDJ-WDZFZDKYSA-N 386.223 2.667 0 40 GFAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cccnc4)C3)n2)n1 72382486 NLGRCLZJYKLHKY-QGZVFWFLSA-N 389.463 2.960 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc2c(c1)OCO2 79494603 KYTVEJBZKREBIU-QGZVFWFLSA-N 389.433 2.908 0 40 GFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)c(O)c1 79191374 CZYCWLOLWPWRDU-APWZRJJASA-N 382.368 2.963 0 40 GFAB biogenic O=C1CCCN1c1cncc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 606440797 SDGRMELWDMZBOI-UHFFFAOYSA-N 399.394 2.706 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccccc2C(=O)OC)c1 225967989 RKRNZKLVMXUVCF-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1Cl 223337388 KMDRIOQLCUTWQO-UHFFFAOYSA-N 382.825 2.903 0 40 GFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220114977 MXXKGBSULZEQIN-INIZCTEOSA-N 390.505 2.817 0 40 GFAB O=C(NC[C@@](O)(c1ccco1)C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77099484 GOMBEQRCJMJRKN-KRWDZBQOSA-N 398.337 2.531 0 40 GFAB O=C(NCCc1cccnc1)c1c2c(N3CCCC3)ncnc2n2ccccc12 96146707 QGVHTKSFNPINSV-UHFFFAOYSA-N 386.459 2.850 0 40 GFAB COc1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)cc1F 96080851 WMXUYNRALCOTFV-IRXDYDNUSA-N 390.480 2.587 0 40 GFAB C[C@H]1CN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCN1C[C@@H](C)O 95406054 TWFYDXYNIKKSTJ-QWHCGFSZSA-N 394.422 2.755 0 40 GFAB O=S(=O)(NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1 95481624 CNPBMMAYZMAQQR-UHFFFAOYSA-N 394.250 2.978 0 40 GFAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(Cc4cnccn4)C3)ccc2c1N 257264836 LWESYJTUVNHEBJ-FQEVSTJZSA-N 396.520 2.582 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1Cl 257343700 ZUBPIZKIRVAWAM-APWZRJJASA-N 387.867 2.587 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 257229735 FZHAYXGYMXIMKF-OAQYLSRUSA-N 385.439 2.706 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccccc2C(C)(C)C)C1 260917243 CUIJWDJALKGTNN-INIZCTEOSA-N 396.553 2.541 0 40 GFAB C[C@@H](NC(=O)c1cn2ccccc2n1)c1cc(F)ccc1N1CCN(C)CC1 624647147 IIHDXYJMHPTYFU-OAHLLOKOSA-N 381.455 2.716 0 40 GFAB COc1cc(C(N)=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 675031681 XPZVLRIANBKPFX-UHFFFAOYSA-N 376.217 2.869 0 40 GFAB CC[C@@H](C)C(=O)N1CCC2(CC1)CN(C(=O)c1nc(C(C)C)oc1C)CCO2 1615612002 UALNPXNJAWHIJS-OAHLLOKOSA-N 391.512 2.986 0 40 GFAB COc1cc2c(cc1F)CC[C@H]2NS(=O)(=O)c1ccc2c(c1)OCCO2 510615907 PBULROJVBISAPU-OAHLLOKOSA-N 379.409 2.571 0 40 GFAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccccc3O)C2=O)cc1 8117230 KLARJHIEMUGBNS-YVLHZVERSA-N 398.440 2.754 0 40 GFAB CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CO)[C@@H]1CN(C)CCc1ccncc1 1772594852 BBIMXLPIBPDJGO-DNVJHFABSA-N 395.547 2.644 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 11513298 SHYOOIPAECWUSK-OXQOHEQNSA-N 394.471 2.850 0 40 GFAB CCc1nn(CC(=O)N[C@H](C)c2ccccn2)c(=O)c2cc3ccsc3n12 12088509 ISPPIDKPAUBXLI-GFCCVEGCSA-N 381.461 2.546 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(c4cc(C)nc(C)n4)CC3)n(C)c2c1 12223024 DSVQDQNPXAWEIA-UHFFFAOYSA-N 379.464 2.556 0 40 GFAB O=C(NC1(CCc2ccc(NC(=O)C3CC3)nc2)CCCCC1)c1nc[nH]n1 12337909 NUYZHAYCKOGTNF-UHFFFAOYSA-N 382.468 2.614 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 13676901 KAQMYLRRFCCSJW-UHFFFAOYSA-N 398.868 2.908 0 40 GFAB COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1O 19453685 VPCXJGLZACRIJG-UHFFFAOYSA-N 398.507 2.709 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2nccnc2-c2ccccc2F)C1 19693102 OVUBJGBNPCVHHS-QGZVFWFLSA-N 381.411 2.538 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cc3ccccc3F)CC1)O2 12225622 GPAYMFPEURCDQF-UHFFFAOYSA-N 382.435 2.860 0 40 GFAB CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21 19524340 ZKXYOESTMNYQCK-CQSZACIVSA-N 380.423 2.865 0 40 GFAB COCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)oc2ccccc12 5200051 FRVZDNLJYYAFDN-GFCCVEGCSA-N 396.399 2.862 0 40 GFAB CSc1nc2c(c(N3CCN(c4nc(C)nc5cnccc45)CC3)n1)CCC2 1888908404 HHEMGTLSVVTSPV-UHFFFAOYSA-N 393.520 2.660 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2cn(C)nc2C(F)F)CC1 1848587536 ACWVCXADKWKISL-UHFFFAOYSA-N 384.818 2.542 0 40 GFAB O=C(CN1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 24573985 GDQOGCASQMQUCM-UHFFFAOYSA-N 393.487 2.512 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(COc3ncnc(C)c3C)CC2)s1 1565519189 HBBYFDSWPVMDKK-UHFFFAOYSA-N 381.523 2.943 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1 4941951 MIHRFLIJKRPMLR-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)s1 5075763 JUUXXLFCDREZNB-UHFFFAOYSA-N 386.520 2.651 0 40 GFAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5195906 ABWIWUFREXSWNR-INIZCTEOSA-N 387.867 2.996 0 40 GFAB CCC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc2C1 8976984 RREMMXIMLWHWSF-UHFFFAOYSA-N 392.452 2.930 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCn2nc(-c3ccccc3)ccc2=O)c(C)c1 11738465 YOMVQMBNANZGEH-UHFFFAOYSA-N 397.500 2.896 0 40 GFAB O=S(=O)(NCCCN1CCN(c2ccccc2)CC1)c1ccc(Cl)s1 12068934 JYGIXTOJGYZCJD-UHFFFAOYSA-N 399.969 2.892 0 40 GFAB COC(=O)c1c(NC(=O)c2cc(C)n(C)n2)sc2c1CC(C)(C)NC2(C)C 12286685 VEALQVXPPMWWMO-UHFFFAOYSA-N 390.509 2.988 0 40 GFAB CC(C)c1nc(S(=O)(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cn1C 575618793 JBPDWIXVIGNLBB-SFHVURJKSA-N 399.520 2.613 0 40 GFAB O=C([C@H]1COc2ccccc2C1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575615123 BLCZKONCMBYPCC-UYAOXDASSA-N 385.485 2.626 0 40 GFAB Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccco2)n1 575614636 ZLVOFGBCBXCIJE-MRXNPFEDSA-N 388.374 2.715 0 40 GFAB O=C(NCc1cncc(N2CCCC2=O)c1)c1cc(Br)cs1 575607884 KVAOAARJIMBMBR-UHFFFAOYSA-N 380.267 2.962 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)c3cccnc3)c2N)cc1 19213135 CWVLSDWYGPYIAZ-GOSISDBHSA-N 375.432 2.645 0 40 GFAB Cc1nnsc1C(=O)N1CCC(Oc2ncccc2Br)CC1 96096974 SLZVGLQUJCSASP-UHFFFAOYSA-N 383.271 2.688 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c1C 40018284 CKXVSHDSWCCKEY-UHFFFAOYSA-N 392.839 2.815 0 40 GFAB CCc1nc(C)c2c(C)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1 40047124 UTEOKWILEZHZES-UHFFFAOYSA-N 382.493 2.623 0 40 GFAB CN(C)[C@H](CNC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccco1 40086493 DUNCWJLYWZQHJY-QGZVFWFLSA-N 397.431 2.923 0 40 GFAB C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)c1nc(-c2cccnc2)no1 40042702 CFPVHLDPHGVMJR-LBPRGKRZSA-N 380.433 2.918 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2F)CC1 40069445 OKQGODPFVRPKAY-HXUWFJFHSA-N 398.482 2.578 0 40 GFAB Cc1c(C)n(CCCN2CCOCC2)c2ncnc(NCc3ccncc3)c12 20649791 TXRDTEGAXCYBOR-UHFFFAOYSA-N 380.496 2.778 0 40 GFAB COc1cc2c(cc1OC)CN([C@H]1OC(=O)c3c1ccc(OC)c3OC)CC2 20760425 GYVFYBOGLNPFRR-FQEVSTJZSA-N 385.416 2.948 0 40 GFAB biogenic COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCc1ccccc1F 32752978 XPJXVCANTXRDPA-UHFFFAOYSA-N 389.452 2.997 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 32760097 WNZXFBKFNVOHIE-SFHVURJKSA-N 386.473 2.642 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1 29674756 NSHHPEZPQXXMCH-UHFFFAOYSA-N 388.420 2.924 0 40 GFAB COc1cccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1 919844 SXPZDHXMEKBOQB-UHFFFAOYSA-N 394.460 2.592 0 40 GFAB O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 2784386 FWQNDIJHVAJSHZ-UHFFFAOYSA-N 378.881 2.628 0 40 GFAB C[C@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)c1ccc2c(c1)OCO2 32889262 IESMBJGLOSTFCX-NSHDSACASA-N 387.417 2.561 0 40 GFAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)Nc1nnc(C2CC2)s1 79059875 PMQNXFBDIDAMLJ-AWEZNQCLSA-N 385.493 2.628 0 40 GFAB COC(=O)c1c[nH]c(=O)c(NC(=O)CCCOc2ccc(Cl)cc2C)c1 32933498 GWQREUQTLKKFKA-UHFFFAOYSA-N 378.812 2.921 0 40 GFAB COc1ccc(CC(=O)N2N=C(C)C[C@]2(O)C(F)(F)OC(F)(F)F)cc1 4200066 HSONZIAULHMWBQ-ZDUSSCGKSA-N 382.285 2.664 0 40 GFAB CCS(=O)(=O)N(C)CCCNC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 41333793 ITLUALPGQBFDMZ-HNNXBMFYSA-N 385.530 2.572 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 8059605 SUXVWHFHWPROPG-UHFFFAOYSA-N 381.450 2.590 0 40 GFAB O=C(CCC(=O)N1CC(=O)Nc2ccccc21)Nc1ccccc1N1CCCC1 22642998 WHKFEBKZQNZXBD-UHFFFAOYSA-N 392.459 2.991 0 40 GFAB COc1ccc(/C=C/C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c(OC)c1 23181126 PHYPGQMTSGWXOA-NTGJLGNYSA-N 376.497 2.721 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)CN1C(=O)NC2(CCCCCC2)C1=O 23731111 GRCYGILRBVPERE-UHFFFAOYSA-N 395.507 2.966 0 40 GFAB CC(C)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)[C@@H]1C[C@H]1C)CC3 100233754 PGMLGMNKSOIYRD-CLCXKQKWSA-N 397.523 2.911 0 40 GFAB Cc1nc(CN2CCN(C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)cs1 100731255 YXNXIDKGNMUUKE-FBIZOPLVSA-N 389.565 2.817 0 40 GFAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 34931970 CKPFBSOZZVKQRU-HYSAVQALSA-N 391.515 2.985 0 40 GFAB CN(CC(=O)N(C)C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 25794267 SFIUKMQFAAJYKH-CQSZACIVSA-N 390.534 2.507 0 40 GFAB COC(=O)c1ccccc1NC(=O)N1CCC(NC(=O)c2cccs2)CC1 56518475 ABKVTLLNHFZPDQ-UHFFFAOYSA-N 387.461 2.961 0 40 GFAB O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)N1CCCCC1 101663430 JAYJDNGAUOGCSR-YRYYUTHUSA-N 376.456 2.870 0 40 GFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 57673271 QMBPFJONGZUHTR-OAHLLOKOSA-N 380.853 2.502 0 40 GFAB CSc1ccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 27147202 IXIGXEJFUJLVHS-UHFFFAOYSA-N 389.502 2.942 0 40 GFAB Cc1ccnc(NC(=O)C2CCN(Cn3c4c(sc3=O)CCCC4)CC2)c1 58182279 NJBRUHQPSISEGD-UHFFFAOYSA-N 386.521 2.800 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](CCC)C(=O)O)ccc12 2104194 FUZDNNDXMUGHAC-MLGOLLRUSA-N 375.421 2.882 0 40 GFAB biogenic CC1=Nc2ccccc2N=C(NC(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 19938256 OWQKHRURUKVTMO-JOCHJYFZSA-N 389.503 2.970 0 40 GFAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)n2)cc1C 12796840 HUAUUUMVBLPLKO-OAHLLOKOSA-N 379.507 2.789 0 40 GFAB O=C(COc1ccc(CCNC(=O)c2cccc3cccnc23)cc1)NC1CC1 48367510 VVEMAHUVQHAXBZ-UHFFFAOYSA-N 389.455 2.865 0 40 GFAB CC(C)[C@@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)N1CCOCC1 48325965 VYKFFYJLSNNNNR-OAQYLSRUSA-N 383.492 2.747 0 40 GFAB CCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1 36614974 HXWMZEOQBDVPMQ-UHFFFAOYSA-N 383.380 2.539 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C(C)=O)cc1 3497161 HEPGRJVCTZSQRJ-UHFFFAOYSA-N 397.460 2.994 0 40 GFAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 11512931 SJKOXKPUICSVMI-UHFFFAOYSA-N 388.370 2.867 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 3428020 KSZLHLVVJSQLEH-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1cc(SC)ccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 3530123 XJPCXUJXKGLHCK-UHFFFAOYSA-N 386.429 2.559 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@H]1C2 306133257 MGUDTYBXZFRPQL-HUUCEWRRSA-N 379.489 2.896 0 40 GFAB CCN(CC)CC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1 49076454 CHADORFVNNDITH-UHFFFAOYSA-N 384.524 2.675 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 13235522 PNTOXYIYTIDUOH-MRXNPFEDSA-N 387.505 2.853 0 40 GFAB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccncc1 4271563 HTCYBPKCIIYWHM-QGZVFWFLSA-N 383.835 2.948 0 40 GFAB CN1CCN(C(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 19841071 CMBOKMBTPZFERD-UHFFFAOYSA-N 381.476 2.758 0 40 GFAB CCOc1ccccc1N(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O 4599569 NGWBJNFYYJJYQN-UHFFFAOYSA-N 380.510 2.858 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 14201118 HKQIPULSAKUXBL-UHFFFAOYSA-N 378.440 2.638 0 40 GFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 6542908 CWYRRVAGMVIFFR-UHFFFAOYSA-N 396.465 2.522 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1C 6588418 WTJRXJLKPGKDKQ-UHFFFAOYSA-N 397.884 2.990 0 40 GFAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1 4663322 JKNQRBYMECEDDC-UHFFFAOYSA-N 385.489 2.724 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)C[C@@H](NC(C)=O)c1cccs1 14523322 NIEYZHLKAYEJQN-CQSZACIVSA-N 392.477 2.658 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(Cc3cc(C(C)=O)ccc3OC)C2=O)cc1 6647705 WMZRUZICABYEOP-NRFANRHFSA-N 382.416 2.874 0 40 GFAB Cc1c(CC(=O)NCc2nc(-c3ccccc3)no2)c(=O)oc2cc(O)ccc12 9135188 FKEYKMDKEBLGQV-UHFFFAOYSA-N 391.383 2.716 0 40 GFAB CCC(C)(C)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4998899 UYKUCPWHNFGNLA-GOSISDBHSA-N 399.535 2.891 0 40 GFAB C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5987311 BIPFHVMECGNISC-CYBMUJFWSA-N 382.482 2.565 0 40 GFAB O=C(Cc1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7671628 RLSSWDMDWIQKTL-INIZCTEOSA-N 395.434 2.813 0 40 GFAB COc1cccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1OC 16103103 GHQJERIFWQSGNK-UHFFFAOYSA-N 384.480 2.888 0 40 GFAB COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1OC 7929871 NQDJCPJYEJUTIC-UHFFFAOYSA-N 397.475 2.900 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 16401764 JEZKBYCIJZRQOK-FQEVSTJZSA-N 383.404 2.524 0 40 GFAB COC(=O)/C=C1\SCC(=O)N1CCCSc1nnc(C2CC2)n1C1CC1 96291689 VTSIONYAPIIUNS-ZROIWOOFSA-N 394.522 2.562 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cc(C(C)(C)C)on2)c(OC)c1 95464081 AQKRFTSTMPLZPM-ZDUSSCGKSA-N 376.409 2.935 0 40 GFAB CC(C)[C@@H](NC(=O)CN1[C@@H](C)CN(C)C[C@H]1C)c1ccc2c(c1)OCCCO2 95441638 SEVCPFYAKYBLMP-HYFFOGBASA-N 389.540 2.686 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 67263140 OCOLHOSEWZYEQS-UHFFFAOYSA-N 395.438 2.686 0 40 GFAB COc1cc(NC(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)c(OC)cc1Cl 95962938 RWSHTNPTMUUJOH-GFCCVEGCSA-N 378.860 2.898 0 40 GFAB O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1C(F)(F)F 95946049 IIBKJVTWTYGAGG-CYBMUJFWSA-N 377.359 2.726 0 40 GFAB CCn1nc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)ccc1=O 95957352 BGWJMJPZSOATBP-UHFFFAOYSA-N 397.822 2.816 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c(OC)c1 408610035 UMYJZXQJCBEVMS-UHFFFAOYSA-N 392.477 2.951 0 40 GFAB COc1cc2nc(NN)n(-c3cccc4c(O)cccc34)c(=O)c2cc1OC 408712719 KYNZESFILKQDMP-UHFFFAOYSA-N 378.388 2.547 0 40 GFAB COc1cccc(/C=C2/N=C(S)NC2=O)c1OCc1ccc(C(=O)O)cc1 35105434 TVWJYKLCWUGMJO-NTEUORMPSA-N 384.413 2.729 0 40 GFAB O=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccccc1Cl 70655849 KRHMMMXDLSCALJ-UHFFFAOYSA-N 389.864 2.542 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1 38755234 BERWUYYSWFUZCW-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COC[C@H](C)NC(=O)CN1CCC(c2nccnc2Oc2ccccc2)CC1 72362918 QRXWMPRMCPOPBK-INIZCTEOSA-N 384.480 2.599 0 40 GFAB C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc3c(c1)CN(CC(F)(F)F)C3)CCO2 562624559 IRNAZCLOJUSCRX-SCLBCKFNSA-N 399.413 2.976 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2)cc1OCC 49940290 GIHHMGVYUWHVEM-AWEZNQCLSA-N 381.436 2.951 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222452122 QIBYKRWAKWUKCZ-UHFFFAOYSA-N 390.461 2.738 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 223276692 HMWJRZAERQFWKE-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c1 85878884 RDWNBVVFPBPCKR-SFHVURJKSA-N 395.415 2.513 0 40 GFAB biogenic COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1Cl 44883430 OMHNDAIJYRCNRM-UHFFFAOYSA-N 388.917 2.906 0 40 GFAB CN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 226043312 YDIIJMQUXCFBLW-UHFFFAOYSA-N 396.468 2.886 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2[nH]c1=O 95477763 IMMAUWJNWWMFTO-UHFFFAOYSA-N 390.443 2.635 0 40 GFAB Cc1nccc(C(=O)N2CC[C@@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)n1 257270130 MSXMRMQNLBTLDD-HNNXBMFYSA-N 378.436 2.552 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)CC3CCOCC3)C2)ncn1 257319561 VTBCNZZVKVBGRJ-KRWDZBQOSA-N 384.480 2.956 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3ccco3)C2)cc1 252311059 SAJVNFSZANLXFQ-ICSRJNTNSA-N 388.489 2.559 0 40 GFAB CC(C)c1n[nH]c(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)n1 652390839 NSFFHMDHOYTBKK-LLVKDONJSA-N 379.258 2.873 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)O)NC2)nn1-c1ccc(Cl)c(Cl)c1 657216073 VQMOCPULUSTOHO-YGRLFVJLSA-N 397.262 2.879 0 40 GFAB COc1cc(C)nc(N2CCN(C(=O)Nc3ccc(-c4ncco4)cc3)CC2)n1 679135041 GOXQQMSAMZWKKC-UHFFFAOYSA-N 394.435 2.803 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3c(F)cccc3Cl)C2)cc1 96121879 SZMCWRJOOYXEPN-UHFFFAOYSA-N 383.828 2.786 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NCc3cccs3)C2)c1 575404614 OCVFQBHFHSJAHP-GOSISDBHSA-N 380.473 2.767 0 40 GFAB O=C(O)[C@H]1CN(C(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)CCO1 669504069 UYNLZNMQVWPQSI-CABCVRRESA-N 382.338 2.938 0 40 GFAB CCOCCOc1ccc(CN(C)C[C@H](O)COc2cccc(OC)c2)cc1 585269817 LHLUXNDYZOCXJO-IBGZPJMESA-N 389.492 2.982 0 40 GFAB C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cccc(N2CCOC2=O)c1 68663996 ZGRTUMGHJTWXLU-ZDUSSCGKSA-N 377.400 2.976 0 40 GFAB O=C(N[C@]12CCC[C@H]1N(c1ccc(C(F)(F)F)nn1)CC2)[C@H]1CCCOCC1 1615611422 LPPIPPHOPLGKKZ-JOQOYGCGSA-N 398.429 2.930 0 40 GFAB CC(=O)N1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)CC1 12219435 XJKMEGWBXDZXIX-UHFFFAOYSA-N 382.855 2.856 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3ncnc4ncccc34)CC2)cc1OC 12329114 PRRVGMLTHSEDCC-UHFFFAOYSA-N 392.459 2.991 0 40 GFAB COc1ccc(CNC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 14001210 RQIGYLIDCOHKQQ-UHFFFAOYSA-N 394.406 2.732 0 40 GFAB CC[C@@H]1CCc2sc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2C1 15613791 CSCNTWHIPNRVFD-GFCCVEGCSA-N 378.519 2.840 0 40 GFAB C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)c2C1 19497123 IDEOWRDIRPUADZ-CXAGYDPISA-N 381.480 2.555 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 19559677 GRUCFFWPLQVWPX-UHFFFAOYSA-N 390.852 2.855 0 40 GFAB CCn1cc(NC(=O)CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c(C)n1 19719830 MVNHBXSGMNVMFE-MRXNPFEDSA-N 380.496 2.981 0 40 GFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C(C)=O)C4)nc32)cc1 19744512 QHCAIDCYPLNQSQ-KRWDZBQOSA-N 394.475 2.609 0 40 GFAB C[C@@H](NC(=O)N1CCC(N2CCNC2=O)CC1)c1ncc(-c2ccccc2)o1 154535696 ANXIHJALUBBHBF-CQSZACIVSA-N 383.452 2.602 0 40 GFAB COc1ccc(C)cc1CN1[C@H]2CCC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 100146531 YSPFTIKPNGYTFN-PMACEKPBSA-N 397.519 2.817 0 40 GFAB NC(=O)C[C@H]1CN(Cc2cc3ccccc3[nH]2)C[C@H]1OC(=O)c1ccccc1 643586747 BOGDNMLAAYUCJE-FXAWDEMLSA-N 377.444 2.701 0 40 GFAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1cnc(C)cn1)c1ccccc1O2 12275024 CGFWOONUYCWFTO-VGOFRKELSA-N 394.475 2.810 0 40 GFAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1cnn(C)c1C)CC3 19553755 DUYYJFSZDUYEJS-UHFFFAOYSA-N 378.436 2.604 0 40 GFAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(F)cc3)c2C(N)=O)C1 3356346 RWFJJBBZHIMQBJ-SNVBAGLBSA-N 390.436 2.906 0 40 GFAB Fc1cnc(OC[C@]23CCC[C@@H]2CN(c2ncc(Br)cn2)C3)nc1 1888852979 FULUQENYWXXFMX-BDJLRTHQSA-N 394.248 2.854 0 40 GFAB Cc1cc(C(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)ncc1F 1888901048 QKZGDIHQSRWLLR-UHFFFAOYSA-N 393.422 2.654 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=Cc2ccccc2OC1 18078171 DKPCFUYYCNEDKE-UHFFFAOYSA-N 384.457 2.886 0 40 GFAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 27718882 RYMSMERYIGHAMY-YPMHNXCESA-N 375.450 2.679 0 40 GFAB CCN(CC)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)Cc1ccccc1 29917348 VZEKVZRSQVFVGE-FQEVSTJZSA-N 382.508 2.538 0 40 GFAB Cc1ccc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037984625 HPEYHNZRJYVXGX-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB COc1cccc(C(=O)N2CCC[C@]3(CCCN(c4nccc(C)n4)C3)C2)n1 2056224230 MMLNKAFIYGSSTN-NRFANRHFSA-N 381.480 2.711 0 40 GFAB CCN1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 4087263 QZUIXQZCYQCYKG-UHFFFAOYSA-N 397.456 2.584 0 40 GFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](S(=O)(=O)c1ccc(Cl)cc1)C(=O)N2 4316078 MXSQJUFIEGCPGI-ZVZYQTTQSA-N 377.849 2.895 0 40 GFAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)cn2)cc1 13809179 UURNYZOWYHSNTL-UHFFFAOYSA-N 393.399 2.676 0 40 GFAB CC(C)C(=O)NC[C@H]1N(C(=O)C2CC(F)(F)C2)CCCC12CCN(C)CC2 2055793277 JQSKVMJEENVROV-MRXNPFEDSA-N 385.499 2.507 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC(C(N)=O)CC3)c(O)n2n1 22853772 IZQNAQGQWZGULX-MRXNPFEDSA-N 399.520 2.654 0 40 GFAB COc1ccccc1S(=O)(=O)N1CCC(N2CCc3sccc3C2)CC1 225689879 QHVBGIKWRHLNBT-UHFFFAOYSA-N 392.546 2.968 0 40 GFAB Cc1noc(-c2cccnc2SCC(=O)NCc2ccc3c(c2)OCO3)n1 49407039 HOIFPZGHMWRFPE-UHFFFAOYSA-N 384.417 2.577 0 40 GFAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)cc1 4274086 NUICTNFQYLRODL-UHFFFAOYSA-N 389.415 2.582 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)N(CC)CC)C2)nc1C 40129532 JSTDJENPTNFJCB-CYBMUJFWSA-N 396.513 2.741 0 40 GFAB Cc1csc(=O)n1CCC(=O)NCc1cccnc1OCc1ccccc1 40121614 QDYBJWDDNZSFAD-UHFFFAOYSA-N 383.473 2.899 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)/N=c2/sc3ccccc3n2C)c1 30783156 UBHKSRAPNOVCSN-ZBJSNUHESA-N 382.445 2.898 0 40 GFAB CN1CCc2c(sc3nc(SCC(=O)Nc4ccccc4)nc(N)c23)C1 20439534 MQJARQKXJMCVGV-UHFFFAOYSA-N 385.518 2.992 0 40 GFAB CC(C)N1CC[C@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C1 51138033 JMBROIGGSIFTRZ-HNNXBMFYSA-N 386.464 2.977 0 40 GFAB COc1ccccc1CN1C[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O 32097388 MPHRNMDWKKDFIZ-MRXNPFEDSA-N 392.411 2.789 0 40 GFAB COCCNc1nc(Nc2ccc(Br)cc2)nc2nccnc12 32093540 ASEZZUPJMAMAPH-UHFFFAOYSA-N 375.230 2.984 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 101436308 PWNRLDPQVXUNFA-NKMKZGIRSA-N 379.416 2.525 0 40 GFAB COC(=O)c1sc2ncn3nc(-c4c(Cl)c(C)nn4C)nc3c2c1C 2790302 UXLWGFZYNMLUDV-UHFFFAOYSA-N 376.829 2.796 0 40 GFAB C[C@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O 79015336 RMLSHKNOEYXLQG-QGZVFWFLSA-N 393.230 2.794 0 40 GFAB CNC(=O)Cn1ccc2ccc(NC(=O)c3ccnc(Br)c3)cc21 79097102 IUNVCBBIVQAIHE-UHFFFAOYSA-N 387.237 2.797 0 40 GFAB Cc1cc(I)ccc1NC(=O)COC(=O)c1ccccn1 3507597 WNGILUNULCJNMN-UHFFFAOYSA-N 396.184 2.790 0 40 GFAB CC1(C)CCCN1C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 102919123 MOMRSFCUMOWDJU-UHFFFAOYSA-N 396.417 2.761 0 40 GFAB COc1cccc(NC(=O)NC2(C(=O)N3CCC(O)CC3)CCCCC2)c1 4981986 QOQPDLNJCDABDL-UHFFFAOYSA-N 375.469 2.503 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cc1C 6477957 VRQDWWNTEXKCEO-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O 2809809 HGYLTAHAIKUKKG-UHFFFAOYSA-N 382.460 2.677 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)cc1 8416002 FVSPORZCYFRNCZ-UHFFFAOYSA-N 397.431 2.854 0 40 GFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)s1 8474669 UJJKEYYKNWFSRZ-UHFFFAOYSA-N 396.856 2.709 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 8985087 KMJWEKSCUTVLFI-UHFFFAOYSA-N 390.461 2.673 0 40 GFAB CCOc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1OC 819322 ZCMVXXHRJURGKI-SFHVURJKSA-N 376.497 2.601 0 40 GFAB CCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22231985 VHTURPXEVWAMQO-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB O=C1C(=O)N(CN2CCC[C@H]2c2cccs2)C(=O)N1CCc1cccs1 23844140 JUEKOXJIFZNSKC-AWEZNQCLSA-N 389.502 2.938 0 40 GFAB COC(=O)/C=C/c1ccc(OCC(=O)N2CCc3sccc3C2)c(OC)c1 24987058 BYCQJBPKLPMDNW-GQCTYLIASA-N 387.457 2.907 0 40 GFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3N3CCCN23)cc1 100568199 SCRCIPFKSPGKPH-FHWLQOOXSA-N 397.862 2.884 0 40 GFAB COC(=O)c1ccc(C)c(NCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 12591761 KXVKWFXNSKBSHA-UHFFFAOYSA-N 381.432 2.741 0 40 GFAB COCc1nc(N2CCS(=O)(=O)CC2)c2c(-c3ccccc3)csc2n1 57839834 GXJYFFDVZZLAAO-UHFFFAOYSA-N 389.502 2.740 0 40 GFAB Cc1n[nH]c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c1Br 58157533 ZKLFHYSHFOWANK-UHFFFAOYSA-N 393.163 2.747 0 40 GFAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 3390680 JOWAGLCFEHMNIU-UHFFFAOYSA-N 397.435 2.534 0 40 GFAB COC(=O)c1cc(CNC(=O)Cc2cc(C(C)=O)ccc2OC)ccc1OC 18061491 XHTYXDJHJZZNOU-UHFFFAOYSA-N 385.416 2.552 0 40 GFAB COc1ccc(NC(=O)[C@@H](Sc2nc(N)nc(N)n2)c2ccccc2)cc1 11233946 BOZPKRAVIWULKT-AWEZNQCLSA-N 382.449 2.517 0 40 GFAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11547289 KXPFZRUVINMTOW-UHFFFAOYSA-N 395.463 2.727 0 40 GFAB CC[C@H](C)N(C(=O)CSc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 3435297 IOWHIZXDEYANGE-XJKSGUPXSA-N 398.550 2.551 0 40 GFAB COc1ccccc1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3532861 SDIAGADTLPJLSW-GOSISDBHSA-N 388.489 2.555 0 40 GFAB O=C1COc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2N1 12980635 PZHPMOKEYSQQQC-NSHDSACASA-N 385.807 2.663 0 40 GFAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12914406 CDINYWUDMCEFBC-UZLBHIALSA-N 394.427 2.911 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 8744757 SAIPJLWSWLPMHQ-UHFFFAOYSA-N 397.450 2.731 0 40 GFAB CCCCn1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 4250992 GMBNASJAVYRCCA-UHFFFAOYSA-N 379.464 2.615 0 40 GFAB CCOC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 70926680 LGLJLGIVVNVTKU-INIZCTEOSA-N 382.526 2.606 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1F 19200198 SRMKGWAKRLZZPX-VMPITWQZSA-N 390.480 2.854 0 40 GFAB O=C(c1ccco1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 5529570 NPRBHBQSSNCOBK-AWEZNQCLSA-N 398.278 2.872 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H](O)c3ccccc3)ccc12 6658982 IYYAVFBQLNRKDL-SFHVURJKSA-N 381.428 2.892 0 40 GFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc4c(c3)OCO4)n2)cc1 6652751 JPNZZQFAAKEMAH-UHFFFAOYSA-N 379.376 2.592 0 40 GFAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)NC1CCCCC1 4777234 QMKLXXJFUSGZSR-UHFFFAOYSA-N 387.509 2.537 0 40 GFAB O=C(c1cccnc1N1CCCC1)N1CCN(c2nc3cccnc3s2)CC1 67050416 AJIWATPHNKZYOG-UHFFFAOYSA-N 394.504 2.649 0 40 GFAB CN(CCOc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 15364835 UMNSSDIPWPTIDN-UHFFFAOYSA-N 394.880 2.924 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(-n3ccnc3)nc2)cc1F 67859973 OUEQJUVXJDANGM-UHFFFAOYSA-N 376.395 2.831 0 40 GFAB C[C@@H](OC(=O)c1cnn(-c2ccccc2)n1)C(=O)NC[C@H](C)c1ccccc1 7786355 KSYCATYXPXWAOL-JKSUJKDBSA-N 378.432 2.733 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2O1 7826713 UWHOOWJMWFCVER-OAHLLOKOSA-N 380.322 2.739 0 40 GFAB O=C(NC(=S)NCCCN1CCOCC1)C(c1ccccc1)c1ccccc1 19927640 VWTQZAQYQNVZRT-UHFFFAOYSA-N 397.544 2.532 0 40 GFAB CN(Cc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)o1)S(C)(=O)=O 20030375 JVXFQVYTRNUWBP-JXOMPUQVSA-N 388.489 2.878 0 40 GFAB O=C(CCC(=O)c1ccc(F)cc1)NCc1ccccc1CN1CCOCC1 24378631 PSFIXTSMQVRTJS-UHFFFAOYSA-N 384.451 2.937 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CN2CCN(Cc3ccccc3)CC2)n1 72404819 GSFSJJNJFBBADL-UHFFFAOYSA-N 390.487 2.694 0 40 GFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(O)cc1 95477885 LKNYYDDSVLPADN-HXUWFJFHSA-N 396.491 2.887 0 40 GFAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408532382 OEGYXGJEVPUMIC-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB CC[C@H](C(=O)N1CCOCC2(CCC2)C1)n1nnc(-c2ccc(Cl)cc2)n1 544821128 LYFXJXUURSJTAK-MRXNPFEDSA-N 389.887 2.974 0 40 GFAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 306130149 IXMTUWWPXBUGNI-QGZVFWFLSA-N 393.487 2.727 0 40 GFAB O=C(Cc1ccco1)N1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306127830 GIQYUPHFBFIEPQ-MRXNPFEDSA-N 379.464 2.871 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnn(-c2ccccc2)c1 67982066 YSXUIGJBDQCROE-UHFFFAOYSA-N 381.388 2.928 0 40 GFAB O=C(c1nccs1)C1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 72334831 GHQCHLZIISQEQA-HNNXBMFYSA-N 389.521 2.746 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CC[C@]3(CCCN(C)C3)C2)cc1 550239219 SQVHUJHXSXWJAT-QFIPXVFZSA-N 381.524 2.845 0 40 GFAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)ccc1OCC(N)=O 31820054 DICIAINMXSBMMW-OAHLLOKOSA-N 392.415 2.869 0 40 GFAB C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)N=c1[nH]c2ccccc2[nH]1 61984098 OTOSPZCSMXZWEN-GFCCVEGCSA-N 379.445 2.545 0 40 GFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2nc[nH]n2)c1 79308394 FMTBPVSAOVISSW-IBGZPJMESA-N 388.431 2.639 0 40 GFAB Cc1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1N1CCCC1=O 30859814 TZGBUPDXKFVAQJ-UHFFFAOYSA-N 393.553 2.522 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 225927524 ZEZPAHHMLFJHHB-UHFFFAOYSA-N 378.425 2.624 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223306008 UIJWFWPHMJTIEA-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224903701 AYMUPOLAXWSMCS-UHFFFAOYSA-N 387.505 3.000 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H]2c3cc(F)ccc3CCN2C(=O)OC)cc1 77200039 NEJJZPBXVKFLEX-KRWDZBQOSA-N 386.379 2.917 0 40 GFAB Cc1cc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)c2ncccc2c1 570028314 GQIOFSRRVICFPA-UHFFFAOYSA-N 388.493 2.575 0 40 GFAB COc1cccc(-c2noc(CNC(=O)c3ccc(Cn4ccnc4)cc3)n2)c1 225037447 DWHKTAPNRRIVMP-UHFFFAOYSA-N 389.415 2.920 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2OC)cc1Cl 224955916 YYSAEKPGOCFCNG-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 223763789 ZRVQHCDLXKTWMP-UHFFFAOYSA-N 379.434 2.908 0 40 GFAB CC(C)n1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2cc(Cl)ccc21 95472667 TZYWAXRBDRSSJO-UHFFFAOYSA-N 383.901 2.593 0 40 GFAB Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-n4cccn4)c(C)c3)C2)n(C)n1 577481608 PVUBMQYMSIBNCQ-GOSISDBHSA-N 378.480 2.621 0 40 GFAB Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)NCC(F)(F)F)n4)n3c2)cn1 96155379 NUZDSUGBKQAXSH-UHFFFAOYSA-N 388.353 2.818 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242688614 VUUITNNDAYGDSQ-NUJGCVRESA-N 379.865 2.540 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@@H](C)C[C@H](C)C[C@H]3C)=C2)cc1 245343167 HCQGFGHYLYPSCV-PHZGNYQRSA-N 389.521 2.894 0 40 GFAB O=C(c1cccs1)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 247827135 JJZTZTIBGVOAQS-KRWDZBQOSA-N 375.494 2.975 0 40 GFAB Clc1ccccc1OCCc1cc([C@@H]2CN(Cc3ncc[nH]3)CCO2)n[nH]1 257340468 ZGGNUJINTZEQRC-SFHVURJKSA-N 387.871 2.981 0 40 GFAB Cc1nonc1CC(=O)N1CCC(c2ccnc(-c3c(C)noc3C)c2)CC1 257311847 ULGZTQLVJHEXNL-UHFFFAOYSA-N 381.436 2.994 0 40 GFAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)Cn3ccnc3)C2)o1 257237849 HIMKFEZGSUCFGC-KRWDZBQOSA-N 380.448 2.877 0 40 GFAB CNC(=O)c1sc2nc([C@]3(C)CCCN(Cc4cnccn4)C3)ccc2c1N 257264837 LWESYJTUVNHEBJ-HXUWFJFHSA-N 396.520 2.582 0 40 GFAB COc1ccccc1Cn1cnc2cc(C(=O)N3CC[C@@](F)(CO)C3)ccc21 614557829 JFSKTTLAVKDSID-NRFANRHFSA-N 383.423 2.640 0 40 GFAB O=C(NCCc1nnc2n1CCC2)NC1(c2ccc(C(F)(F)F)cc2)CC1 650970836 FNGMBSSWGFUDMC-UHFFFAOYSA-N 379.386 2.774 0 40 GFAB COc1ccccc1C1(C(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)CCOCC1 90610622 IZLLBZOIONVPQP-LJQANCHMSA-N 397.471 2.528 0 40 GFAB Cc1nc2cc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)ccc2s1 390828806 UMTZDGOKJWYWRS-UHFFFAOYSA-N 391.460 2.655 0 40 GFAB O=C(CN1CCc2sccc2C1)N1CCC[C@H]1c1nnc2n1CCCCC2 58792559 MSQMVNVESQGQEQ-INIZCTEOSA-N 385.537 2.788 0 40 GFAB CC(C)N1CCC(N2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)CC1 1615158237 QUYVWCTZXYJOMN-UHFFFAOYSA-N 385.618 2.775 0 40 GFAB COc1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1OC(C)=O 865430 WVSGAJNZVXCASV-AUWJEWJLSA-N 381.340 2.694 0 40 GFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 5120384 OLCYGABRYFQUGT-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)ccc2N1 12362454 LAFMMOKWZIKUSQ-QGZVFWFLSA-N 391.537 2.600 0 40 GFAB CN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 16187936 UHFMFPRJZNAKKL-UHFFFAOYSA-N 387.288 2.930 0 40 GFAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2 19234797 DLRJSPQPCFSNHZ-HXUWFJFHSA-N 378.476 2.596 0 40 GFAB COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(N3CCC(C)CC3)n2)CC1=O 19497045 WNLVPTQJPSSZIS-HNNXBMFYSA-N 382.464 2.535 0 40 GFAB Cc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)ncc1C(=O)N(C)C 19754250 WOMQKGWXXUYLTC-GOSISDBHSA-N 384.455 2.922 0 40 GFAB O=C1COc2ccccc2CCCCO[C@@H]2CN(Cc3ccccc3)C[C@@H]2N1 2037985675 RVLNRHFQSIPZLX-RBBKRZOGSA-N 380.488 2.788 0 40 GFAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)cc1 1614947868 GXZSIKFGHFUBHU-QFIPXVFZSA-N 399.491 2.551 0 40 GFAB Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O 3640608 GTVRRAWCJKCYER-QGZVFWFLSA-N 395.312 2.879 0 40 GFAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)NC1CCCCC1 11694585 WEGNPRMVMCAPHW-UHFFFAOYSA-N 380.452 2.802 0 40 GFAB COc1cccc(NC(=O)NCCNc2ccc(Nc3ccccn3)nn2)c1 11697385 AXFLXJBZPUGFMD-UHFFFAOYSA-N 379.424 2.857 0 40 GFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](S(=O)(=O)c1ccc(Cl)cc1)C(=O)N2 12438063 MXSQJUFIEGCPGI-LESCRADOSA-N 377.849 2.895 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883253 YQSNTWIJJHUZJF-UHFFFAOYSA-N 381.819 2.901 0 40 GFAB Cn1nc(-c2ccncc2)cc1CNS(=O)(=O)c1ccc(F)c(Cl)c1 1775966660 SEXYUBNRPBKJHG-UHFFFAOYSA-N 380.832 2.753 0 40 GFAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1cc(Cl)ccc1Cl 206726210 NEHQBFNVFNJSDE-UHFFFAOYSA-N 387.292 2.862 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 211113201 VTGYFCAZCYBGMF-HXUWFJFHSA-N 387.457 2.854 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705927 ZMLFDYNWJYVFLB-UHFFFAOYSA-N 392.488 2.973 0 40 GFAB NC1=NC(SCC(=O)NC2CCCCC2)=N[C@H](c2c[nH]c3ccccc23)N1 13579113 JTSCVNNSRAOCAO-QGZVFWFLSA-N 384.509 2.623 0 40 GFAB COc1ccc([C@@H](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)NC(C)=O)cc1 31235619 PXLHYUBULUORQD-PGRDOPGGSA-N 395.503 2.905 0 40 GFAB CN1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)C1 20357752 OJVZOXYXNZZGDQ-UHFFFAOYSA-N 399.545 2.670 0 40 GFAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCC2(CC1)OCCO2 51364401 RVSCBEVQSFRTEU-KRWDZBQOSA-N 380.444 2.572 0 40 GFAB Cn1cc(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)c2ccccc21 20745793 CWZJJBZNPOGODR-UHFFFAOYSA-N 377.444 2.542 0 40 GFAB O=C1C[C@@H](C(=O)N2CCn3c2nc2ccccc23)CN1c1ccc2c(c1)CCC2 32796065 RYFPFVOBDMFZKI-QGZVFWFLSA-N 386.455 2.925 0 40 GFAB COc1ccc(NC(=O)c2ccccc2OC(F)F)cc1NS(C)(=O)=O 29817963 DBQCQSHCDJZTHC-UHFFFAOYSA-N 386.376 2.920 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 32879929 SOBBWXLJOQPXHR-SFHVURJKSA-N 393.418 2.852 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1 2662307 LASXDSNGHPVERQ-JOCHJYFZSA-N 377.444 2.741 0 40 GFAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 902218 IZCZYKKXHRPRKA-QGZVFWFLSA-N 393.553 2.778 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C)c(OC)c1 932188 OTCAULUUSCJXIZ-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 32879930 SOBBWXLJOQPXHR-GOSISDBHSA-N 393.418 2.852 0 40 GFAB CCCOc1ccc([C@@H](C)NCc2cc(=O)n(C)c(=O)n2C)cc1OCCC 32865625 VCGGMXBTYNJUGO-OAHLLOKOSA-N 389.496 2.512 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(OCC(F)(F)F)nc1 79109591 NQIJWKWMZOLCHN-HNNXBMFYSA-N 383.370 2.897 0 40 GFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)c(O)c1 79191387 CZYCWLOLWPWRDU-LPHOPBHVSA-N 382.368 2.963 0 40 GFAB biogenic COc1ccccc1-c1ccc(=O)n(CN2CCO[C@@H](c3ccccc3)C2)n1 79488418 AIBQZPNUPFESHV-OAQYLSRUSA-N 377.444 2.950 0 40 GFAB COc1ccccc1NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 4965370 JYLCVELYWOAYGW-UHFFFAOYSA-N 378.436 2.526 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 6269563 LZSPRSMGDHHKOH-UHFFFAOYSA-N 389.521 2.867 0 40 GFAB Cc1cccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)c1 52977801 LEDZLTAWKKDDEQ-UHFFFAOYSA-N 383.467 2.598 0 40 GFAB CCc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 22586371 QILWFYIJDSUVGJ-NRFANRHFSA-N 377.488 2.699 0 40 GFAB COc1cccc(COC[C@@H](O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1 23389287 FSTCRTIGHGAZOD-QFIPXVFZSA-N 398.503 2.598 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 104749888 LTDCNTFCOOIILU-QCEMKRCNSA-N 390.480 2.906 0 40 GFAB COc1ccc(NC(=O)[C@@H]2[C@H]3NC(=S)N[C@@]2(C)Oc2ccc(OC)cc23)cc1 104785728 DXCNWBIJOXYUGK-ZWOKBUDYSA-N 399.472 2.586 0 40 GFAB O=C(NCCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 28645323 NWCRERMPKGASAJ-KRWDZBQOSA-N 392.546 2.898 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 20245846 YGQFGXHTFIXFQO-UHFFFAOYSA-N 391.537 2.628 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)c3cccc(N)c3C2=O)c1 12563784 FTHOJTMONWEHHM-KRWDZBQOSA-N 381.432 2.677 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 24991501 HZUSKXPBUDYKAL-IBGZPJMESA-N 376.416 2.624 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1F 58309923 DVCVAQGVWUYKSK-CYBMUJFWSA-N 391.443 2.656 0 40 GFAB COc1ccc(CN2[C@@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cc1OC 100119504 FTXUEPAUIDEXKH-QPJICYPMSA-N 379.460 2.992 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 100398449 YEFCTMCIJSAHED-BCIPIUJLSA-N 377.227 2.691 0 40 GFAB CCOC(=O)CCN(CC1CC1)C(=O)CCNC(=O)c1ccc(Cl)cc1 58104447 RFKQURJGYODNQS-UHFFFAOYSA-N 380.872 2.652 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1CCC[C@@H]1c1nnc2n1CCCCC2 58299693 VQOMHIXMBMSCFQ-MRXNPFEDSA-N 378.473 2.811 0 40 GFAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCc1ccc(F)cc1Cl 58238244 HRBDNZHNGHPADT-SNVBAGLBSA-N 389.905 2.877 0 40 GFAB CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCS(=O)(=O)C2 58481359 JPLMHCAHVNLXPK-UHFFFAOYSA-N 397.449 2.787 0 40 GFAB Cc1oc(C)c(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)c1C 28262045 QSDAUNZUDQXCOC-MRXNPFEDSA-N 386.448 2.805 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1 10745774 IPQMSSVYWJQRGP-UHFFFAOYSA-N 389.521 2.510 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 36392561 JFUTXXQPKCDYFY-UHFFFAOYSA-N 385.468 2.705 0 40 GFAB CCCn1nc(C(=O)Nc2nc3ccccc3n2CCN(CC)CC)ccc1=O 36648971 IJDBHMKPFDWKGX-UHFFFAOYSA-N 396.495 2.597 0 40 GFAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1cccnc1Cl 11376258 KSGOHLUIBLOFQD-UHFFFAOYSA-N 378.889 2.992 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 12867270 LBGLFTNKDQXOER-OAHLLOKOSA-N 399.472 2.815 0 40 GFAB C[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1nc(=O)c2ccccc2[nH]1 12893394 PHZWOYFTXMKRHB-AWEZNQCLSA-N 387.443 2.930 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3485745 ADSNGNCPALWMNB-UHFFFAOYSA-N 396.900 2.687 0 40 GFAB COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1cc(C)ccn1)C(F)(F)F 13582285 YTOHBXWYLMTCSQ-KRWDZBQOSA-N 381.354 2.592 0 40 GFAB CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NCCc2cccc(Cl)c2)c1 39995513 YXFISBJZVSFCEP-UHFFFAOYSA-N 383.901 2.671 0 40 GFAB O=C(NCc1nnc2ccccn12)c1nn(-c2ccc(F)cc2)c2c1CCCC2 8748471 WFHWFGNUECDTJS-UHFFFAOYSA-N 390.422 2.863 0 40 GFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCCCC1 5398045 QYGCDHDAEPFOHF-UHFFFAOYSA-N 376.254 2.685 0 40 GFAB O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 14423399 XPFQGEHYSNDVAY-UHFFFAOYSA-N 394.460 2.632 0 40 GFAB CCOc1ccccc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8708008 KCQKQZQMZYXZQT-UHFFFAOYSA-N 381.354 2.669 0 40 GFAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCO)cc1 5561257 CANDXNCXTNBGKD-KRWDZBQOSA-N 385.803 2.993 0 40 GFAB CCOc1ccccc1-n1nnnc1SCc1nc2ccccc2c(=O)[nH]1 6653764 VOBVZPDIACTDLA-UHFFFAOYSA-N 380.433 2.590 0 40 GFAB Cc1ccc(C)c(Cn2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2N)c1 4852617 QOAACLQJQQRFMZ-UHFFFAOYSA-N 379.420 2.549 0 40 GFAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(N)nc(N)n2)c1 6880322 LDADPJXAMWNXLU-UHFFFAOYSA-N 380.477 2.670 0 40 GFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CCC(=O)C[C@@]3(O)CC[C@@]21O[C@H]4OC 118939844 VLMLLACKDSNIAO-NOHKKOTMSA-N 392.492 2.608 0 40 GFAB O=C1Cc2cc(S(=O)(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc2N1 9059674 WMNSBLMYNPLYBR-QGZVFWFLSA-N 382.445 2.583 0 40 GFAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)NC(=O)NC1CCCCC1 9630833 QYXQVMKJMUNJBZ-OUKQBFOZSA-N 381.432 2.950 0 40 GFAB CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(=O)[nH]c2ccccc12 83989777 OWCVHPNDJJYLFY-UHFFFAOYSA-N 382.441 2.525 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)Nc3ccccc3F)CC2)cc1OC 25239669 VHPOGUNEQUSBMR-UHFFFAOYSA-N 387.411 2.833 0 40 GFAB CC(C)C[C@@H]1C[C@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCO1 95991604 VCZHMXZVFDQWKT-HUUCEWRRSA-N 383.448 2.853 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cn3cccn3)cc2)c1 21399528 PLGVAAGVYXZHCI-UHFFFAOYSA-N 385.445 2.683 0 40 GFAB CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)N(C)C1=S 409030214 CMQMCKIMJIVURE-WDZFZDKYSA-N 385.283 2.886 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)c1ccccc1 524734340 UPENQZYRZRRVSW-IBGZPJMESA-N 393.495 2.653 0 40 GFAB Cc1cc(C(=O)N(C)Cc2ccnn2C)c2cnn(-c3ccccc3F)c2n1 36615913 GMRNIIFPJGHMDS-UHFFFAOYSA-N 378.411 2.874 0 40 GFAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(Br)cc2)cc1OC 72227059 GKKFWSBKQFYQAP-SJORKVTESA-N 391.265 2.877 0 40 GFAB Cc1cc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)nn1C 1565524985 UIQLCVNAHBAIIC-UHFFFAOYSA-N 384.505 2.979 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217531740 WVCNMKVMTCQZPE-KGLIPLIRSA-N 392.477 2.871 0 40 GFAB COCC(C)(C)N1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 565486479 LCHXRJRCSLUKLH-UHFFFAOYSA-N 385.302 2.690 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217665630 OOWRPSGRQIPPGP-ZIAGYGMSSA-N 392.477 2.871 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)CSc1nncn1-c1ccccc1 223810726 BFFUSUGFZZVEHQ-UHFFFAOYSA-N 392.440 2.615 0 40 GFAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccc2sncc2c1 225879390 FHOKZMOXIKXIRI-UHFFFAOYSA-N 382.492 2.709 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccccc2Cl)s1 223449192 LYMZOMTVEIMOGP-QMMMGPOBSA-N 387.870 2.863 0 40 GFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 47080964 FNOZGXYUTIYOEL-HZPDHXFCSA-N 382.526 2.791 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)C1(c2ccccc2)CCOCC1 224754296 ZMHGMCYDDFDOIO-UHFFFAOYSA-N 394.515 2.883 0 40 GFAB Cn1cc(OCc2ccccc2Cl)c(=O)cc1C(=O)NCc1cccnc1 49547090 YEAHXEIZYOWOCN-UHFFFAOYSA-N 383.835 2.943 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 225689861 CBQWNSHOTJEMNQ-UHFFFAOYSA-N 392.458 2.655 0 40 GFAB CC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 49760702 VYYKYPWNEQJGJM-UHFFFAOYSA-N 377.407 2.534 0 40 GFAB CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)C1 223202417 DAAVWYHQQZMZEP-VBKZILBWSA-N 391.899 2.986 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2cc(C)ccc2C)c1 224044207 XSBGHJFDDZAAGD-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223303263 FUPIZKCEEWRMFZ-SNRMKQJTSA-N 386.521 2.681 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)n2cc(C(=O)OC)c3ccccc32)c1 222644039 UAJHOTWEYPZSRF-UHFFFAOYSA-N 387.413 2.760 0 40 GFAB COCCn1ccc2c(C(=O)NCCCc3nnc4ccccn34)cccc21 95472088 AQAQWCUBDGVEJP-UHFFFAOYSA-N 377.448 2.693 0 40 GFAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(=O)C(C)C)C2 97952787 RXXMMQACVFTBDX-HXUWFJFHSA-N 377.554 2.595 0 40 GFAB CN(C)C(=O)CN1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 257202695 AMXBTMYXSOMIFH-IKGGRYGDSA-N 397.441 2.968 0 40 GFAB CCN(C(=O)Cc1noc([C@@H]2CCO[C@H]2c2ccnn2C)n1)c1ccccc1 585084397 VZHSLVSJMMEEMT-DNVCBOLYSA-N 381.436 2.644 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n1 257228717 FUYNJVIYVRDIAI-GOSISDBHSA-N 392.459 2.537 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516992 YQANDJHLJQZUBG-LMMKCTJWSA-N 378.421 2.791 0 40 GFAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4cccn4)C3)o2)cc1 257327025 WZODQGOHIIYRQK-QGZVFWFLSA-N 380.448 2.877 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)cn1 257293941 QRTZYLHZVYPBPV-OAQYLSRUSA-N 385.439 2.706 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 257258272 KTCLQVJKOXLEOC-CQSZACIVSA-N 395.467 2.557 0 40 GFAB Cc1ncc(C(=O)N2CC[C@H](Cc3cnc(-c4c(C)noc4C)cn3)C2)cn1 257203783 ARPRSNXCCSBVDN-OAHLLOKOSA-N 378.436 2.552 0 40 GFAB O=C(Nc1cc(OCc2ccc3c(c2)OCO3)ncn1)c1cc(C2CC2)on1 90593648 UWJIRRNFFNLLIX-UHFFFAOYSA-N 380.360 2.902 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(O)nc4ccccc34)C2)c1F 390826780 BWSGFTXSWZGHSP-LBPRGKRZSA-N 382.395 2.725 0 40 GFAB C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cc2n(n1)CCCC2 585090063 HWWBAZIIMDYJGV-INIZCTEOSA-N 388.537 2.952 0 40 GFAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CC2CCCC2)CCO1 585282938 BZPHYJNROKCRMC-FQEVSTJZSA-N 394.899 2.772 0 40 GFAB CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5706804 GAXCZUJCTFFZLL-MOPGFXCFSA-N 398.459 2.894 0 40 GFAB COc1cccc([C@@]2(O)CC[C@@H]3CN(S(=O)(=O)c4ccccc4F)C[C@@H]32)c1 12124367 ONHRLWLGYYYKOF-LIVBEALHSA-N 391.464 2.753 0 40 GFAB COc1cc(C(=O)N2CCC(C(=O)c3nccs3)CC2)cc(OC)c1OC 12142732 VHIFCRBIXJCPGP-UHFFFAOYSA-N 390.461 2.904 0 40 GFAB C[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(-n2cncn2)cc1 18158195 FXBBPLIXSMZMLK-OAHLLOKOSA-N 391.431 2.833 0 40 GFAB O=C(C1CCC1)N1CC[C@H](c2nc(O)c3c(n2)CN(C2CCCCC2)CC3)C1 19014885 XFNYGJLWEDYEGC-INIZCTEOSA-N 384.524 2.989 0 40 GFAB O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19368330 SEYKWYVLCVFFMS-KRWDZBQOSA-N 393.422 2.894 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529815 UREIKWXMKSDHRU-KSVNGYGVSA-N 384.457 2.520 0 40 GFAB Cc1cc(C)c2c(=O)n(Cc3nc(-c4ccccc4)oc3C)c(=O)n(C)c2n1 19625489 ZJRGNMKESJMIQX-UHFFFAOYSA-N 376.416 2.724 0 40 GFAB COCCNC(=O)CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 19719776 AZGKLZMKLVAUDT-UHFFFAOYSA-N 399.438 2.950 0 40 GFAB COc1ccc([C@@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4C(C)C)cc1 19821193 FOWDUCAJDWYYFF-ZDUSSCGKSA-N 379.416 2.587 0 40 GFAB C=CCc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(OC)c1OC 6229732 SKCMIEIFZIHJIS-MHWRWJLKSA-N 396.399 2.687 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 5018192 VSHDSIZCAIEPCM-IAGOWNOFSA-N 392.496 2.826 0 40 GFAB aggregator CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)Cn1ccnc1)C2 643576393 WMIVFHNGIIISCI-UXHICEINSA-N 381.524 2.969 0 40 GFAB COc1cc(NC(=O)NCc2nnnn2C2CCCCC2)cc(OC)c1OC 10608579 MJZIRAMULRFTTO-UHFFFAOYSA-N 390.444 2.526 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)C2)n1 1888866641 VSWGHGKCZFFCCM-RLFYNMQTSA-N 377.444 2.514 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(c4ccnc(C5CC5)n4)CC3)cnc2c1 1889205631 SCRQSDAYVUPVLY-UHFFFAOYSA-N 391.475 2.989 0 40 GFAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1 5136733 LIASSQVQPIZIMV-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)n2nc(SC)nc2N1 8843497 RICCVDQPOLWKRW-AWEZNQCLSA-N 390.465 2.869 0 40 GFAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)COc3ccccc3)cc2)nn1 9787067 RJFUIJLHLNVABB-UHFFFAOYSA-N 397.456 2.955 0 40 GFAB O=C(NCCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 17850019 BZAGLEMBBGTXHE-UHFFFAOYSA-N 388.489 2.670 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2ccn(-c3ccc(C)c(C)c3)c(=O)c2=O)c1 20488896 LQJTXWBEOOQSBS-UHFFFAOYSA-N 377.444 2.872 0 40 GFAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCN(CC)CC3)c(O)n2n1 22578034 TXWGVCINJJPITK-MRXNPFEDSA-N 389.500 2.925 0 40 GFAB O=C(NCc1cccs1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147101 HONBPURXTRLRBV-NSHDSACASA-N 383.271 2.664 0 40 GFAB CCCN(c1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 2294131 PWDIEXXXVSNUTD-UHFFFAOYSA-N 388.489 2.764 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(C)ccc21 100876080 QQGPPGJDCIFRRK-MRCUWXFGSA-N 398.440 2.697 0 40 GFAB COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(O)c1 20112483 HJGRGXQETQJTGT-OAHLLOKOSA-N 385.416 2.940 0 40 GFAB biogenic COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C)cc1C)N(C)CC3)OCO2 20609810 NDSOZXBGCLRDAR-SFHVURJKSA-N 393.447 2.594 0 40 GFAB biogenic Cc1cc(C)c2nc(S[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cc(C)c2c1 32776050 NOKTWMQZLAIWMT-GJZGRUSLSA-N 392.546 2.944 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842567 JNFVNQLOQNDKNF-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3)c(Cl)c2)C1=O 15858380 AHMUCQJJRCMUMV-NSHDSACASA-N 378.837 2.905 0 40 GFAB Cn1cc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)cc(Br)c1=O 79110505 AIADZCUZQSDDQC-GFCCVEGCSA-N 391.269 2.548 0 40 GFAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)[nH]n2)cc1 21752602 IIHPBOIYKDCULL-CYBMUJFWSA-N 392.415 2.668 0 40 GFAB CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)N3CCOCC3)n12 4898217 UUVLCUJHMZLJCQ-UHFFFAOYSA-N 385.493 2.526 0 40 GFAB CCCCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc2c1=O 6034895 VUUWDMSGGFGKHT-GJZGRUSLSA-N 389.521 2.925 0 40 GFAB Cn1c(=O)oc2cc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)ccc21 102957822 BECJCZPYHRVUSZ-CYBMUJFWSA-N 384.411 2.919 0 40 GFAB C[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 47286644 MSPLSQKCPNGXFQ-CQSZACIVSA-N 387.867 2.923 0 40 GFAB O=C(NCc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 97117505 NJXMRLIJOWAQPS-UHFFFAOYSA-N 399.476 2.573 0 40 GFAB Cc1ccccc1CN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 22818226 VYLUJWMYXGONSK-KRWDZBQOSA-N 381.476 2.869 0 40 GFAB COc1ccc([C@@H](CNCc2cc(OC)ccc2OC)N2CCOCC2)cc1 22934948 AMWNJRRWXPKMHZ-OAQYLSRUSA-N 386.492 2.876 0 40 GFAB CCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2s1 23042176 OGTDRPYJTDIPLR-UHFFFAOYSA-N 386.477 2.904 0 40 GFAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007550 VBJZANWFYIZIFE-SFHVURJKSA-N 378.469 2.632 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(C(F)(F)F)cc1)C2=O 23652917 ADWMDLUUDRAAKI-UHFFFAOYSA-N 397.397 2.822 0 40 GFAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccc(OC)c(OC)c1 58341584 YOXZHTWORLPQBO-RDELFYGPSA-N 389.540 2.592 0 40 GFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCCc1cn2ccccc2n1 12668494 AWQJRUMBRCGTRB-UHFFFAOYSA-N 384.823 2.645 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)C12CC3CC(CC(C3)C1)C2 12680108 WIAUFQKVZAQHPG-AVQZZNLCSA-N 399.491 2.768 0 40 GFAB CNC(=O)c1cccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 57387495 WGVHVFRONWXLEJ-UHFFFAOYSA-N 383.492 2.707 0 40 GFAB O=C1C(=O)N(Cc2nc(-c3ccccc3)no2)C(=O)N1CCC1=CCCCC1 25254880 CLZXLZKRAFKZHQ-UHFFFAOYSA-N 380.404 2.918 0 40 GFAB COc1ccccc1N1CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1 35286797 HRUJQBLNVMZMPW-UHFFFAOYSA-N 393.487 2.827 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)CS2 26727709 GYUSICWLUVYLJN-AUUYWEPGSA-N 385.445 2.924 0 40 GFAB COCCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccncc1 3346792 GGBIAVHDRDFSMC-UHFFFAOYSA-N 398.444 2.690 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)NCc2ccccc2)c(C)c1 27100055 UIYRKPZEBMGNKV-UHFFFAOYSA-N 396.491 2.508 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc2c1CCCC2 35870946 MHLJQRBEWVUNDU-QHCPKHFHSA-N 389.455 2.897 0 40 GFAB O=C(Nc1ccc2[nH]ccc2c1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44891895 GMLWFSGNSSYTKX-FQEVSTJZSA-N 392.459 2.760 0 40 GFAB Cc1ccc(CSc2nc(=O)n([C@@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1 27795587 MPIUYSBIPKDDCN-OAHLLOKOSA-N 390.530 2.692 0 40 GFAB Cc1nccc(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)n1 58420571 VVESYWSROMUCKD-VIFPVBQESA-N 378.226 2.810 0 40 GFAB CCCCCNC(=O)C1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 48302615 GMQCYLRTZWXOHO-UHFFFAOYSA-N 383.492 2.547 0 40 GFAB O=C(O)CSc1nc2nc3c(cc2c(=O)n1Cc1ccccc1)CCCC3 2280020 LRSAXHOXYQNOFE-UHFFFAOYSA-N 381.457 2.895 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC2CCCC2)cc1 48364994 YGOUALDVEWKJEW-UHFFFAOYSA-N 388.489 2.846 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2 3429400 PKPQBDYJYSMIPN-UHFFFAOYSA-N 398.444 2.726 0 40 GFAB Cn1cnn(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1=S 29581961 DHWQCMYHGBGRDC-UHFFFAOYSA-N 386.308 2.673 0 40 GFAB CC(C)(C)NC(=O)CN1CCCN(C(=O)COc2ccc3ccccc3c2)CC1 7951614 YMSZEFUOJNPCBJ-UHFFFAOYSA-N 397.519 2.668 0 40 GFAB COC(=O)c1ccccc1NC(=S)N1CCCC[C@@H]1CCN1CCOCC1 13692643 KPNBWOPNXMQXMC-MRXNPFEDSA-N 391.537 2.747 0 40 GFAB O=C(NCCCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20483828 AYMNHUODUWEFEI-UHFFFAOYSA-N 386.517 2.975 0 40 GFAB Cc1ccc(CC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 5199756 PXHXFMIYBGNARI-UHFFFAOYSA-N 395.503 2.780 0 40 GFAB COC(=O)c1csc(N2N=C3c4ccccc4CC[C@H]3[C@@]2(O)C(F)(F)F)n1 5275031 IKZKQZJSILBQKE-BDJLRTHQSA-N 397.378 2.967 0 40 GFAB Cc1ccc2oc(C(=O)N3CCN(CCOc4ccccc4)CC3)cc(=O)c2c1 14202177 VHFIVYWDXKCHNJ-UHFFFAOYSA-N 392.455 2.938 0 40 GFAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 6660913 YGNDMVQPGRLYGA-VQCBNXJZSA-N 392.452 2.626 0 40 GFAB CCOC(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1N1CCOCC1 4749027 OAWZQQSUVWWCON-UHFFFAOYSA-N 384.432 2.961 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 15191057 OQTGTWKHZYWTMF-UHFFFAOYSA-N 375.787 2.614 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1OC 15351390 BQFVQZACUXCJLN-OAHLLOKOSA-N 385.464 2.991 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)CCCC(C)C)C2=O)cc1 7278068 HCFPKVRVHFNYEH-QVKFZJNVSA-N 389.496 2.793 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1C 408607774 QIUOWVLEJGXSJO-UHFFFAOYSA-N 398.868 2.826 0 40 GFAB Cc1noc2ncc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)cc12 95465530 LFJFQQHGIVOTHP-AWEZNQCLSA-N 394.431 2.628 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 19857200 FJNVEDVXADPHTC-HXUWFJFHSA-N 386.517 2.853 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20482979 XUPLDXZGJXDNDB-UHFFFAOYSA-N 384.461 2.564 0 40 GFAB COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)n[nH]2)cc1 524730427 IWJSATFGNIXHHX-PTSWNOGYSA-N 394.475 2.558 0 40 GFAB biogenic C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)[C@H](c2ccccc2)CO1 528334380 BEIPJBRMCRKDSF-AAEUAGOBSA-N 389.399 2.590 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NCC1(c2ccccc2)CCOCC1 38591924 PFXGBHDOIJSMCV-UHFFFAOYSA-N 387.501 2.715 0 40 GFAB O=C(COC(=O)c1ccnc(Cl)c1)NCc1ccccc1Br 72330806 HHUJMFIOOGLRNR-UHFFFAOYSA-N 383.629 2.971 0 40 GFAB CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218097233 MDNFTNZDUVDPFZ-AABGKKOBSA-N 375.490 2.617 0 40 GFAB NC(=O)c1cc(N)cc2nc(-c3ccc(I)cc3)oc12 73641720 ATIRKNDMXGFZOP-UHFFFAOYSA-N 379.157 2.781 0 40 GFAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3nnc(C)s3)nc1n2C 35312662 RZBWSEVVJDCMFX-UHFFFAOYSA-N 399.505 2.970 0 40 GFAB COc1cc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)ccc1O 36701645 CGEDRCKHRONNKJ-RZAIGCCYSA-N 379.420 2.651 0 40 GFAB Cn1cc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)CCc2ccccc2)cn1 72354701 CNCXFZRNNINEFB-GOSISDBHSA-N 376.464 2.756 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1 71286628 KALWYJUPRPMCSS-HUUCEWRRSA-N 377.404 2.829 0 40 GFAB C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)n1ccnc1 563263187 WRAFKIHNKCBKMJ-PBHICJAKSA-N 384.436 2.552 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 223719494 VBBFCQBHYHBBCG-UHFFFAOYSA-N 382.460 2.959 0 40 GFAB CCOC(=O)[C@H](CC(C)C)N[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104822 NRRVVWXWMFPPSD-IRXDYDNUSA-N 391.512 2.597 0 40 GFAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1 225967868 FVHLJARDLAIWNG-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1cccs1)CC2)c1cnccn1 77196241 GBDDNHAIOYSNCW-ONEGZZNKSA-N 397.485 2.845 0 40 GFAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](N2C(=O)COC2=O)C1 225701754 YROLUPDPCXSOJC-HNNXBMFYSA-N 391.383 2.688 0 40 GFAB O=C(O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1Cc1nc2cnccc2[nH]1 514289564 VCPVZQKFBFFPAM-IRXDYDNUSA-N 392.459 2.683 0 40 GFAB biogenic,in-vitro Cc1cc(C)cc(C(=O)N2CCc3c(CNc4ncccn4)nn(C)c3C2)c1 96255912 VJXAVZASFJHRLG-UHFFFAOYSA-N 376.464 2.638 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 247847470 FKCUFWNDTOMWDZ-XPDMDZMYSA-N 397.519 2.543 0 40 GFAB CNC(=O)c1sc2nc([C@@H]3CCCCN3Cc3cnccn3)ccc2c1N 257317200 VITCKBABCCVFOG-HNNXBMFYSA-N 382.493 2.755 0 40 GFAB C[C@H](c1ccccc1)n1cc(NC(=O)N2CCN(c3ncccn3)CC2)cn1 646455727 BGLWFFCIXAYIHX-MRXNPFEDSA-N 377.452 2.637 0 40 GFAB O=C(NC1CC1)[C@H]1Cc2ccccc2CN1C(=O)c1ncccc1C(F)(F)F 650213541 GHPHWQZCFUSCOC-MRXNPFEDSA-N 389.377 2.946 0 40 GFAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1C 657193262 NVSWDGDHQAFJRN-VQIMIIECSA-N 380.510 2.923 0 40 GFAB CN1C(=O)[C@H](NC(=O)NCCc2cccc(C(F)(F)F)n2)Cc2ccccc21 661232536 GROWGKNSSJSSNI-CQSZACIVSA-N 392.381 2.530 0 40 GFAB C[C@@H]1CC[C@@H](NC(=O)NCc2nc(-c3ccccc3F)cs2)CS1(=O)=O 664773692 HVBRYWKWSWFXOV-VXGBXAGGSA-N 397.497 2.714 0 40 GFAB CC(C)(Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(N)=O)C1)c1cccs1 1706192307 HTHSMFSVJJVOMD-OAHLLOKOSA-N 396.520 2.691 0 40 GFAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1 678813950 SEXFRPIKSXUEJU-CYBMUJFWSA-N 379.367 2.831 0 40 GFAB CCOC[C@H]1CN(C(=O)Cc2ccn(C)n2)Cc2cnn(CC3CCCC3)c21 585110872 SBDHBNDACGWAHB-GOSISDBHSA-N 385.512 2.512 0 40 GFAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(O)C1)C2 585107199 RIVKABXDMMKJKF-QPFKGPCDSA-N 394.519 2.937 0 40 GFAB O=C1CCCN1C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 585095369 RONMMKVPYJDRQS-PQGQHUGISA-N 382.508 2.605 0 40 GFAB CCc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)on1 585268736 YUUYNVVVDQIROF-LRDDRELGSA-N 391.855 2.676 0 40 GFAB Cc1ocnc1C(=O)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615125294 YVBZDLGVFQSIHP-FQEVSTJZSA-N 387.411 2.550 0 40 GFAB CCn1c2cc(C)oc2c2cnn(CC(=O)N[C@H](C)c3ccccn3)c(=O)c21 12117734 MEODCPYVXRCPKB-CYBMUJFWSA-N 379.420 2.545 0 40 GFAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O 12146617 HGQCSVLEBOCZIK-UHFFFAOYSA-N 394.309 2.623 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)NC(=O)NCc2ccccc2)c(C)c1 12698004 RPBHOWUZMYGXDH-UHFFFAOYSA-N 396.491 2.508 0 40 GFAB Cc1ccn2c(=O)cc(CSCC(=O)Nc3nnc(C(C)C)s3)nc2c1 15864050 VGEPZVDNTMZREB-UHFFFAOYSA-N 389.506 2.850 0 40 GFAB CCc1ccccc1N1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O 19363383 BBZBFRAZYUPMPL-OAQYLSRUSA-N 377.488 2.699 0 40 GFAB Cc1cc(C)n(CCc2nnc(NC(=O)Cn3cnc4ccccc43)s2)n1 19658476 LZPGNUCPMQHOKQ-UHFFFAOYSA-N 381.465 2.583 0 40 GFAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 19714724 YIACXXDSHOYKNR-AWEZNQCLSA-N 384.528 2.733 0 40 GFAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccco1 19818335 HFYOHLMJLGODLQ-QZTJIDSGSA-N 397.431 2.781 0 40 GFAB Cc1c(C(=O)N2CCCc3c2cccc3C(F)(F)F)nnn1-c1cnn(C)c1 521615734 GYEHSLAGTAPWAE-UHFFFAOYSA-N 390.369 2.921 0 40 GFAB COC[C@H](C)NC(=O)C1(C[C@H]2CC(c3ccccc3OC)=NO2)CCOCC1 12226473 WPFXQSPZXZMKKO-JKSUJKDBSA-N 390.480 2.526 0 40 GFAB CN(C)Cc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)cc1 19583512 AUMYXTIIVRMTOX-HSZRJFAPSA-N 393.487 2.545 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(OC)c1OC(F)F)n2C 6589978 SPGCQGVDJLGZIR-UHFFFAOYSA-N 394.378 2.500 0 40 GFAB O=C(c1ccccc1F)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888906712 WQDBELNYGHJBCF-ZDUSSCGKSA-N 381.411 2.682 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1 20902684 IFEHISDPHRZVOY-CQSZACIVSA-N 378.856 2.882 0 40 GFAB CC(C)N1CCC(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)CC1 2037912887 BNXVNXFEZPIKHR-NRFANRHFSA-N 378.488 2.678 0 40 GFAB CC(C)N1CCCC[C@@]2(CN(C(=O)CCc3cccc(F)c3)CCO2)C1=O 2037985547 NITLCSGCNGYLKH-OAQYLSRUSA-N 376.472 2.777 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc3ccc(-c4ccccc4)nn23)s1 4376547 OCOYSBPZMJOBPN-UHFFFAOYSA-N 397.489 2.936 0 40 GFAB Cc1nn(C(=O)Cn2nc(C)c(I)c2C)c(C)c1Cl 4753722 XWKTUZIELYDHST-UHFFFAOYSA-N 392.628 2.912 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c1 5190071 GNKDVCGKGAKDCX-MRXNPFEDSA-N 382.420 2.581 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@@H]2CN(c3ccc(OC)cc3)C(=O)O2)s1 8838584 VZKQERWYMZBGPE-CQSZACIVSA-N 396.490 2.623 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 9035804 UUNNYIGLMRULTC-CYBMUJFWSA-N 394.880 2.680 0 40 GFAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(F)cc3F)OC2=O)cc1 9136789 LHQVSPSLABOHSZ-CQSZACIVSA-N 382.388 2.577 0 40 GFAB CCn1cc(C(=O)NCCCOC(C)C)c2nn(-c3ccccc3)c(=O)c-2c1 9661402 SYUUKBGGMNXJLA-UHFFFAOYSA-N 382.464 2.704 0 40 GFAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccnc1)NCc1ccccc1 11696074 ILQYCVSSWHPTNN-UHFFFAOYSA-N 399.447 2.732 0 40 GFAB O=C(Nc1nc(CCC(=O)N2CCc3ccccc32)cs1)c1ccc[nH]c1=O 16851215 QYLSCLRHVIWIDV-UHFFFAOYSA-N 394.456 2.606 0 40 GFAB O=C(Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O)Nc1ccc(Cl)cc1 20489100 ZJSBCMWRQBAYLB-UHFFFAOYSA-N 391.761 2.570 0 40 GFAB Cc1nc(S(=O)(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cn1C 219363204 VVAVLNGSLNWNRD-HNNXBMFYSA-N 387.477 2.876 0 40 GFAB Cn1cc(-c2ncccc2CNC(=O)C2(c3ccccc3)CCOCC2)cn1 575618752 OCISWRKFAYSDTH-UHFFFAOYSA-N 376.460 2.847 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)cn1C 575610131 KOONYDASVFIUBB-CYBMUJFWSA-N 395.506 2.877 0 40 GFAB Cc1ccccc1OCCC(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19237393 VBZJSPXIARWELM-KRWDZBQOSA-N 380.492 2.606 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080279 NMWRWVOCCRZGJU-QGZVFWFLSA-N 391.479 2.871 0 40 GFAB NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)s2)CCO1 50854488 TXLLPXDEZNOCEN-ZKKXHLJNSA-N 376.865 2.794 0 40 GFAB C[C@@H](OC(=O)c1cc2ccccc2n1C)C(=O)c1ccc2c(c1)NC(=O)CO2 52241412 KKJAOCUOIYKQOZ-GFCCVEGCSA-N 378.384 2.937 0 40 GFAB CC(=O)Nc1ccc(CCNCc2ccccc2N2CCN(C(C)=O)CC2)cc1 79073644 IVJAUVSLVNFEBD-UHFFFAOYSA-N 394.519 2.646 0 40 GFAB CCCCC12CN3CC(C)(CN(C1)C3c1cc3ccc(OC)cc3[nH]c1=O)C2=O 79192661 FZHOGHJCVXTXHI-UHFFFAOYSA-N 395.503 2.932 0 40 GFAB biogenic O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cnc2ccccn2c1=O 32902485 SECVLLHJDAOVRT-SFHVURJKSA-N 396.878 2.915 0 40 GFAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cnc3ccccn3c2=O)cc1 32900188 GNCPMYLIHSXQBJ-SFHVURJKSA-N 393.443 2.816 0 40 GFAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 6384049 AEALPSFEPSZXQI-CYBMUJFWSA-N 380.400 2.687 0 40 GFAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(Br)o1 7988312 KBFDHNCNHUJBOZ-UHFFFAOYSA-N 377.194 2.836 0 40 GFAB CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)n([C@H]2CCS(=O)(=O)C2)n1 102787287 UPQYVYVTWHFSTB-ZQDZILKHSA-N 377.510 2.691 0 40 GFAB COC(=O)c1cc(=O)n(Cc2ccccc2)/c(=N/c2ccc(C(=O)O)cc2)s1 2728145 LAMLQSBCHLKYPT-MRCUWXFGSA-N 396.424 2.675 0 40 GFAB Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccnc(OCC(F)(F)F)c1 41524488 XIXUEKIHEOTOQP-UHFFFAOYSA-N 385.317 2.725 0 40 GFAB CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 101161371 RXIUEIPPLAFSDF-ZDUSSCGKSA-N 397.431 2.898 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)C1CC1 10730199 GPSMFGIZAFHZEV-UHFFFAOYSA-N 394.493 2.532 0 40 GFAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1C 53776651 KOXSSQKZSCAJHF-UHFFFAOYSA-N 377.488 2.651 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2)o1 518530686 WXDKZCNPAIKXBN-MRXNPFEDSA-N 391.493 2.560 0 40 GFAB COc1ccc(NC(=O)[C@@H]2[C@H]3NC(=S)N[C@@]2(C)Oc2c(OC)cccc23)cc1 104785775 UHGARAISYKKZIE-FTRWYGJKSA-N 399.472 2.586 0 40 GFAB Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 23409856 XGKSUZKZUHDEOS-QGZVFWFLSA-N 395.425 2.971 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc(C)ccc2OC)c1 24325352 WQZCSDKVGUDWOY-UHFFFAOYSA-N 376.478 2.574 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1 24611801 RINPKHMGDMMJNZ-UHFFFAOYSA-N 378.538 2.795 0 40 GFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC[C@@H]1COc2ccccc2O1 24859614 GXKJUFBEWLBRSU-CYBMUJFWSA-N 388.807 2.594 0 40 GFAB CN(CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)S(=O)(=O)c1cccs1 24924322 RDTXWRLZHYCODG-GHMZBOCLSA-N 384.445 2.606 0 40 GFAB O=C(NC1CCCCC1)NC1CCN(C(=O)COc2ccc(F)cc2)CC1 55409133 GIFFMUBEJHDDDW-UHFFFAOYSA-N 377.460 2.827 0 40 GFAB CCOC(=O)C1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 25266128 ZFEITWGCXHCJEF-UHFFFAOYSA-N 385.247 2.822 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)o1 43998192 SDPHFENIIYEEIG-IAGOWNOFSA-N 376.453 2.528 0 40 GFAB O=C(c1cscn1)N1C[C@@H]2[C@@H](C1)CN2C1CCN(Cc2ccccc2)CC1 107249488 DZGUPYCGOPTRNK-FXAWDEMLSA-N 382.533 2.564 0 40 GFAB CC(C)C(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 35413648 RWEIWQLWFTZTBS-ZDUSSCGKSA-N 387.402 2.712 0 40 GFAB O=C(NC[C@H]1CCCO1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 26722141 PRYKLALQOOGLGT-OAHLLOKOSA-N 380.448 2.888 0 40 GFAB CC(=O)Oc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 27021811 GIDCPPTXUZOKIG-KTYKIUSQSA-N 389.436 2.794 0 40 GFAB O=c1nc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH]c2ccccc12 23761143 ITWWRWWRGWVWBT-UHFFFAOYSA-N 389.381 2.659 0 40 GFAB CN(C)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1 27587507 FUWBRGJWPIIYKN-APWZRJJASA-N 383.517 2.779 0 40 GFAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCCCC(=O)O)ccc12 2147266 AVZXMDYUSXVSHG-CYBMUJFWSA-N 375.421 2.884 0 40 GFAB biogenic COc1cc([C@H](C)NCc2cn(C)nc2-c2cccnc2)ccc1OCCO 48275592 IDCXKYOMDKBFGX-HNNXBMFYSA-N 382.464 2.713 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1 45141342 ARXGDHPLNMJOPH-LJQANCHMSA-N 380.492 2.548 0 40 GFAB CCOC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 12762138 KYBMOGBSDBVFEN-UHFFFAOYSA-N 386.433 2.825 0 40 GFAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2451123 YBRLVHARLIEGEO-UHFFFAOYSA-N 396.472 2.706 0 40 GFAB Cc1sc2nc([C@@H](C)N3CCN(Cc4cscn4)CC3)[nH]c(=O)c2c1C 48300134 AWNQXUHJGVLKAQ-GFCCVEGCSA-N 389.550 2.937 0 40 GFAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12853891 JAECPQROWZHSLR-UHFFFAOYSA-N 380.429 2.694 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 12873569 NRCDJONXNMGCBO-INIZCTEOSA-N 387.436 2.726 0 40 GFAB CCOC(=O)c1c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)sc(C)c1C 12803892 ONXMGBVPEBXKAU-UHFFFAOYSA-N 385.445 2.959 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(c2ccc(Cl)cc2)CC1 59898212 CQURYAABNWNHDC-UHFFFAOYSA-N 399.800 2.869 0 40 GFAB C[C@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)N1CCc2ccccc21 3445401 UMLBZVNKPDYWFR-ZDUSSCGKSA-N 397.479 2.792 0 40 GFAB O=C(COc1ccccc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4302000 MAPPSLKPLLZLHH-CYBMUJFWSA-N 383.853 2.528 0 40 GFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)C1 6346991 LKROYFFXNXCVBU-HOTGVXAUSA-N 387.505 2.678 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2ccccc2C)s1 14117041 NDEQUMHFYIVZKV-UHFFFAOYSA-N 396.534 2.782 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccncc1 5558951 IWEBHMHWUGVHLB-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB COc1ccc(CNC(=O)Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1 4727722 CYMPMMQWAPKXQS-UHFFFAOYSA-N 391.353 2.684 0 40 GFAB COc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(C)=O 9260407 ATVAKDFFVVEPEK-SFHVURJKSA-N 387.461 2.764 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccccc1F 6787702 GPOMFXOISNZUST-UHFFFAOYSA-N 398.221 2.617 0 40 GFAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)Nc1cccc2nsnc12 19079658 CHWJTSAYMIOVOW-UHFFFAOYSA-N 392.448 2.730 0 40 GFAB C[C@H](C(=O)NC1CCCC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 7374298 OXGZVPGHKPRDMI-GFCCVEGCSA-N 387.402 2.903 0 40 GFAB CN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(Br)s1 7988107 HYYVYJUMKJIGCE-UHFFFAOYSA-N 394.294 2.928 0 40 GFAB COc1ccccc1NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 8194081 LGTJLWAALJHXBH-UHFFFAOYSA-N 385.416 2.969 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1Cl 8282136 SNJJZLTUNNPTOY-INIZCTEOSA-N 377.780 2.670 0 40 GFAB CC[C@@H](C)c1ccc(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 8395766 TYGQGUSRFKYVOB-CYBMUJFWSA-N 378.432 2.648 0 40 GFAB COc1cn(CC(=O)NC(C)C)c(CN2CCC(c3ccccc3)CC2)cc1=O 96231912 BJTGBNJQMBZDOX-UHFFFAOYSA-N 397.519 2.761 0 40 GFAB O=C(Cn1nnc(-c2ccsc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9578309 MIASJBGOURWAFW-OAHLLOKOSA-N 397.460 2.537 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 24363636 VQWMBWKCVHNNIT-UHFFFAOYSA-N 399.472 2.539 0 40 GFAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 84419556 RFVIGCRLLFRWQK-ZDUSSCGKSA-N 392.444 2.778 0 40 GFAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)cs1 95972824 MOKDKBANYMEWEV-HNNXBMFYSA-N 387.553 2.544 0 40 GFAB CC(=O)N1C(=N)S/C(=C/c2cc3cccc(C)c3nc2N2CCOCC2)C1=O 27573060 KMHSQOUXBQQRJD-QBFISPORSA-N 396.472 2.777 0 40 GFAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 113953870 WYYDWBJZJLWGDK-OAHLLOKOSA-N 384.432 2.574 0 40 GFAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1C 409059291 VXWDXGBXCJJEJO-UHFFFAOYSA-N 395.488 2.784 0 40 GFAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc3c2=O)cc1 31560784 BUPTYWUCHSADRM-SFHVURJKSA-N 380.444 2.666 0 40 GFAB CN(C(=O)CCOCC(F)(F)C(F)(F)F)[C@H]1CCO[C@@H]1c1cccnc1 502707337 UVBICCDRZXIDET-GXTWGEPZSA-N 382.329 2.974 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)c2ccncc12)N1CC[C@@H](n2cccn2)C1 514766544 UUSVEMLEGAVNFW-MRXNPFEDSA-N 392.463 2.747 0 40 GFAB O=C1C[C@@H](CNC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)CN1 521832091 BWBHJRGYWXZHJA-CQSZACIVSA-N 399.413 2.642 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCCC1 72403646 DEBJUBBHZYWNLW-ZDUSSCGKSA-N 399.322 2.836 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1 79440120 ZQYJWWYDVQSJDU-YOEHRIQHSA-N 376.453 2.732 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n(C)c1 1561507034 QJORWJKDPGYFNY-NNUKFRKNSA-N 382.869 2.690 0 40 GFAB O=C(Nc1ccnn1CC(F)F)c1cc(-c2ccc(F)cc2)nc2ncnn12 36618932 ONBDLKAVVYWKRD-UHFFFAOYSA-N 387.325 2.644 0 40 GFAB COc1cc(C[C@H]2CC(c3cc(OC)c4c(c3)OCO4)=NO2)cc2c1OCO2 66091644 ONHGPOLTKSDTPX-ZDUSSCGKSA-N 385.372 2.897 0 40 GFAB O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 562594866 VSLOGRHYZUNRIJ-KRWDZBQOSA-N 386.464 2.506 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 223593764 VQBTUULQUFTGLT-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1 223388110 DQENMDKLJAKBOS-UHFFFAOYSA-N 380.373 2.706 0 40 GFAB CC(C)c1nc(CN2CCC[C@@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)no1 583621790 QTOSPZZNWCWYBX-OAHLLOKOSA-N 394.479 2.857 0 40 GFAB O=C1C[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2c(ccc3nsnc23)O1 96232187 DDZFIBRZLCUFLO-VIFPVBQESA-N 393.380 2.703 0 40 GFAB CCS(=O)(=O)N1CCc2nc(-c3cccc(F)c3)nc(NC3CC3)c2C1 96254245 LYPSQPMDTBPXNP-UHFFFAOYSA-N 376.457 2.565 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242722783 XUSSLGPJXZAMDG-SCTDSRPQSA-N 378.421 2.791 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(CO)C(=O)O)cc1 242437328 BZGABXHDEYOCMW-JZXOWHBKSA-N 380.849 2.651 0 40 GFAB OC[C@H]1[C@H](O)C[C@@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382271 MSLIBGXSMBCYQH-GXRSIYKFSA-N 381.520 2.966 0 40 GFAB biogenic,in-vitro Cc1cc(OC2CN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc(=O)n1C1CC1 252572036 YVHOXKIOMKKZDN-UHFFFAOYSA-N 392.411 2.501 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCCC[C@H]32)C1 659196430 UPWNJZQGQDAVAE-KFGODFMUSA-N 378.513 2.763 0 40 GFAB COc1ccc([C@@H](NC(=O)CNC(N)=O)c2ccc(C(F)(F)F)cc2)cc1 679368241 CAYDOGUQXBSYJG-INIZCTEOSA-N 381.354 2.588 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)c(C)c1 390828199 PKKPOYYZUVBQPG-KRWDZBQOSA-N 392.481 2.520 0 40 GFAB O=C(c1cnc2ccccn12)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575403033 HSIVXJUCZSAUJT-INIZCTEOSA-N 380.473 2.646 0 40 GFAB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2C)s1 590565972 PLJNJNARRBYNEU-SNVBAGLBSA-N 382.463 2.753 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCN(c3ccccc3)CC2)cc1 57426046 PVLFLMKXLNLCJF-IBGZPJMESA-N 394.519 2.603 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc2cc(F)c(F)cc2s1 64345773 HTUAIPXSJQZCIX-UHFFFAOYSA-N 391.355 2.672 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 96371131 SKYWZPOZBKNYTQ-INIZCTEOSA-N 385.894 2.577 0 40 GFAB CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@H](c2ccccc2)C1 12794359 ADFCJISXJMUDSS-KRWDZBQOSA-N 394.443 2.812 0 40 GFAB O=C1CN(Cc2nc(-c3cccnc3Cl)no2)CCN1C1CCCCC1 13996445 DHWHOHLMTFJKBU-UHFFFAOYSA-N 375.860 2.762 0 40 GFAB O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 15675906 UQURCJIPBZCAIQ-KRWDZBQOSA-N 393.451 2.996 0 40 GFAB biogenic,in-vitro CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 19020324 XLAOIEIMFMGGEP-LAUBAEHRSA-N 395.459 2.582 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)c3c(C)noc3C)CC1)O2 19219192 SXMXTMBHBYHVBD-UHFFFAOYSA-N 383.448 2.833 0 40 GFAB O=C(Nc1ccccc1CN1CCCCCC1)c1cc2ncc(CCO)cn2n1 19349117 OLYFFRQMLNCJMS-UHFFFAOYSA-N 393.491 2.892 0 40 GFAB O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)N1CCc2[nH]c3ccccc3c2C1 19656456 JWHFJJUHJAGXOM-LJQANCHMSA-N 394.475 2.696 0 40 GFAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 19683175 KASDYXQFIYAGQR-UHFFFAOYSA-N 375.402 2.516 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1O 8221929 SDNWYLNSYHNPLS-YUSFRKCESA-N 390.461 2.838 0 40 GFAB CCOCC(=O)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643559812 BVMZTOLEKMJLAY-JOCHJYFZSA-N 388.508 2.553 0 40 GFAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1S(N)(=O)=O 6083064 FPNBYHXTQJFPFJ-UHFFFAOYSA-N 398.868 2.792 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cn2ccccc2n1 25650188 QETDNKAHIBBXJD-IBGZPJMESA-N 379.464 2.839 0 40 GFAB O=C(O)CCCCCOC(=O)[C@H](Cc1ccsc1)NC(=O)CCCCCO 2060999757 BXMZWHFZUCWNBA-INIZCTEOSA-N 399.509 2.516 0 40 GFAB CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 4087887 LKSSGYMDERFHJF-GFCCVEGCSA-N 395.462 2.953 0 40 GFAB Cc1cc(Sc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)nc(Cl)n1 4501766 PWSRHFAHSDFDRR-UHFFFAOYSA-N 395.920 2.822 0 40 GFAB COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@@H]1c1cccc(OC)c1 5018286 HFNBPPVKYVPEDK-LJQANCHMSA-N 398.415 2.564 0 40 GFAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 8724549 OFUPZRGIGIQWIE-CYBMUJFWSA-N 379.464 2.786 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccccc3F)n2)cc1 13801111 XIVNCLUOBPEYFF-UHFFFAOYSA-N 395.434 2.943 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccc(Cl)s1 225712133 ZWGWMBAYXUJKDA-MRXNPFEDSA-N 387.910 2.913 0 40 GFAB CCOc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 19533592 NGFSBRDTKUOEIG-QRWLVFNGSA-N 396.491 2.652 0 40 GFAB Cc1cc(C(=O)N2CCN(Cn3nc(-c4ccccc4C)oc3=S)CC2)on1 40149151 HEWZZYVOBDJGCP-UHFFFAOYSA-N 399.476 2.893 0 40 GFAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 31816675 CYPJRIPLRJFSTH-HNNXBMFYSA-N 396.472 2.904 0 40 GFAB CN1CCN(C2(CNC(=O)c3cn4cc(Cl)ccc4n3)CCCCC2)CC1 20676089 LAZVYFAOFQYVCS-UHFFFAOYSA-N 389.931 2.668 0 40 GFAB Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 101719165 UJHOXDMMTZDDQI-CQSZACIVSA-N 381.823 2.858 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 101941591 SWPILLKACOCUKW-WKRCXCSHSA-N 398.846 2.531 0 40 GFAB COc1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1OC 32744524 MBGJTORGCUMFPO-UHFFFAOYSA-N 386.448 2.808 0 40 GFAB NC(=O)C1(C(=O)N(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)CC1 11821417 RTKMKWXOUUWBNT-LJQANCHMSA-N 398.551 2.720 0 40 GFAB O=C(NCCc1cn2c(n1)CCCC2)N1CCN(c2cccc(Cl)c2)CC1 32803554 URIUFHJMNFZELZ-UHFFFAOYSA-N 387.915 2.947 0 40 GFAB CCOc1cc(C(=O)N(C)CC(=O)Nc2cc(C)on2)ccc1OC(F)F 32841917 GKMFDEUEGRXCSP-UHFFFAOYSA-N 383.351 2.694 0 40 GFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1ncc(-c2ccccc2F)o1 32879932 UAARTIWXRIQEJI-GOSISDBHSA-N 393.418 2.852 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3463877 GVAFAXRWNKWDSR-HXUWFJFHSA-N 383.835 2.980 0 40 GFAB CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 4725752 WTUOGGZPHJOAND-HZPDHXFCSA-N 378.469 2.738 0 40 GFAB CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 4858857 BRBNPDGOYRACDB-DOMZBBRYSA-N 375.498 2.830 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)CN(C)S(=O)(=O)c2cccs2)c1 21961983 QVHYOMOIPIQMJM-UHFFFAOYSA-N 396.534 2.523 0 40 GFAB Brc1cnn(Cc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c1 6448096 SOHKHEROMBZEQU-UHFFFAOYSA-N 395.224 2.675 0 40 GFAB COc1ccc(CNC(=O)COC(=O)CCC(=O)c2ccc(C)cc2)cc1OC 7735446 WXEKGLHIDQTPEW-UHFFFAOYSA-N 399.443 2.835 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22038686 QRLHVHVNLYPVEU-VMPITWQZSA-N 396.535 2.776 0 40 GFAB CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCC1 41778387 CTPBICSOGRPSEN-INIZCTEOSA-N 377.510 2.589 0 40 GFAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)c1 8415551 AOFFIJVRHYBAAL-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB Cc1cccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C(=O)O)c1 12293283 JEOQBBBFZFPNIU-UHFFFAOYSA-N 383.433 2.708 0 40 GFAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(C)CC2)cc1 22795590 VOMFIDYNTPYWIQ-JOCHJYFZSA-N 392.503 2.620 0 40 GFAB Cc1ccc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 864382 JKLWHFRPHNOWMT-ZVVDCOBXSA-N 390.476 2.938 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 9288896 WFXAJLPERYSJRD-HNNXBMFYSA-N 398.381 2.612 0 40 GFAB CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(SCc3ccccc3F)=NC2=N1 958579 CWOVTGSYVSWBHN-INIZCTEOSA-N 396.451 2.500 0 40 GFAB C[C@H]1CCc2c(sc3ncn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 957805 AUHPGQIVTLTUJB-AWEZNQCLSA-N 381.501 2.942 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCC3)C1=O 23947396 TUFAOLQJRSCTIN-JOCHJYFZSA-N 377.444 2.763 0 40 GFAB C[C@H](NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 105886304 WPPFOHXLEKJQTI-SZMVWBNQSA-N 387.480 2.530 0 40 GFAB Cc1c(C(=O)OCc2cnn(-c3ccccc3)c2)sc2ncn(C)c(=O)c12 24992327 YBYKAHIHSMTYAQ-UHFFFAOYSA-N 380.429 2.846 0 40 GFAB O=C([C@@H]1Cc2ccccc2S1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25139432 MIISWWWMLMAASP-FQEVSTJZSA-N 382.485 2.777 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 25299901 MGEQWZROKXRZBL-CABCVRRESA-N 379.420 2.884 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccccc1)N(C)C 25421852 GSJXBQILYNSHQO-IRXDYDNUSA-N 389.521 2.550 0 40 GFAB Cc1ccc(F)c(S(=O)(=O)NCc2cccc(C(=O)N3CCCC3)c2)c1 56062699 YNMQNHHOVQWXSO-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 57202333 VKUHQGOOTUFPEW-UHFFFAOYSA-N 388.851 2.891 0 40 GFAB CN(Cc1nc2c(oc3ccccc32)c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 43765062 KMWACAPFRVRNTH-CYBMUJFWSA-N 377.400 2.941 0 40 GFAB CC[C@]1(C)CC2=C(CO1)S[C@H]1N=NN(CC(=O)NCc3ccco3)C(=O)[C@H]21 35323849 MZTMBVBBWFQEPU-JFIYKMOQSA-N 390.465 2.637 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)C)cc1 3290796 TULMZONQNVTMBZ-UHFFFAOYSA-N 382.416 2.617 0 40 GFAB Cc1cc(C)c(C)c(OC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1 26864934 LHIRQZVPQZKAMQ-UHFFFAOYSA-N 376.478 2.954 0 40 GFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nccn1Cc1ccccc1 26910205 ZOEAIFZYZIDNMN-OAHLLOKOSA-N 382.489 2.530 0 40 GFAB Cc1cc(=O)n2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)sc2n1 58170536 CWTJAJMBIZWBHB-CQSZACIVSA-N 384.461 2.568 0 40 GFAB O=C(COc1ccccc1)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 27664693 XMZHUCKEDWSZAL-UHFFFAOYSA-N 389.458 2.530 0 40 GFAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NCC(=O)O)ccc12 2107740 KKIXHVSWXTWSII-UHFFFAOYSA-N 395.411 2.580 0 40 GFAB biogenic CCn1ncc(Br)c1C(=O)N1CCN(Cc2ccccc2C)CC1 28236286 MCDUQIHYBZANBN-UHFFFAOYSA-N 391.313 2.932 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)NCCc2c[nH]c3ccccc23)c1 10356250 MMSMCFDQYAZEOV-UHFFFAOYSA-N 386.477 2.581 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)c2ccccc2O1 10789006 STXIFVHTBFSXMF-MRXNPFEDSA-N 395.242 2.912 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)CC1 29362509 OPNBHGFMVUMHFF-OKHSPWKHSA-N 399.535 2.961 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NCc2cccnc2OCc2ccccc2)cc1 48332592 SJDOEHMDRXSFRQ-UHFFFAOYSA-N 396.468 2.994 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc12 3558462 MNEZDXGLQDKHNZ-UHFFFAOYSA-N 386.429 2.604 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 12981121 CMNNFOBPQMBGHM-UHFFFAOYSA-N 392.887 2.736 0 40 GFAB Cc1nc(C2CC2)nc2sc(C(=O)NCCNC(=O)c3cccn3C)c(C)c12 13006282 QMFSSKJDOOHBAJ-UHFFFAOYSA-N 397.504 2.684 0 40 GFAB O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc3[nH]nnc3c2)C2CC2)cc1 26107857 MHKPSEZQHSVWLD-UHFFFAOYSA-N 375.432 2.655 0 40 GFAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)n2nc(CCCO)nc2N1 4189381 LLHUOVRFVMSQTG-IBGZPJMESA-N 390.447 2.526 0 40 GFAB CCc1ccc(OCC(=O)NC[C@H](C)NC(=O)COc2ccc(CC)cc2)cc1 4592312 VCXDWVRBDRDSNA-KRWDZBQOSA-N 398.503 2.890 0 40 GFAB Cc1ccc(NC(=O)CCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 5443746 OSKBCMPUKHBTTP-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 6579816 YJFGLCPGRDMCRU-SFHVURJKSA-N 381.388 2.691 0 40 GFAB COc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2Cc1cc2c(cc1Cl)OCO2 6668923 DXRUHIGGKYKETJ-GOSISDBHSA-N 388.807 2.801 0 40 GFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[C@H]2C=CCC2)c(=O)[nH]c1=O 14633404 IUYIAZGLORJAIY-INIZCTEOSA-N 396.491 2.808 0 40 GFAB COc1cccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c1OC 4746577 NYCSIAMBOKRPTF-RIYZIHGNSA-N 379.434 2.939 0 40 GFAB Cc1nn(CC(=O)Nc2ccc(Cl)cn2)c(C)c1I 4726571 BZVNPOOMTHZYLE-UHFFFAOYSA-N 390.612 2.792 0 40 GFAB C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccco1 7154257 RFNCPDJUHVVILU-LBPRGKRZSA-N 395.444 2.671 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)cc1 70859091 ZTOGPBBQUNOPJQ-HNNXBMFYSA-N 382.464 2.896 0 40 GFAB O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@@H]1COCCO1 68019376 TZJDDGTVGCXBMJ-HNNXBMFYSA-N 383.231 2.557 0 40 GFAB CSCC[C@@H]1NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 7652940 MFRZWTKVUIDIMJ-KRWDZBQOSA-N 397.500 2.566 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)c1 7980025 FDSGJLUREXRRKZ-UHFFFAOYSA-N 385.800 2.678 0 40 GFAB Cc1ccc([C@@H](CC(=O)O)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 8135409 KEEUSHFLHOTZMU-GOSISDBHSA-N 393.443 2.886 0 40 GFAB O=C(CN1C(=O)C2(CCCC2)N=C1O)NCCc1c[nH]c2ccc(Cl)cc12 71285179 OCECUVGSLVJVQV-UHFFFAOYSA-N 388.855 2.549 0 40 GFAB CC(C)Cc1nnc2n1CCN(C(=O)/C=C/c1c(Cl)nc3sccn13)C2 72305528 UDNPCAYLCXFODM-ONEGZZNKSA-N 390.900 2.895 0 40 GFAB O=C(CCc1ccccc1)Nc1cc(=O)[nH]c2nc(COc3ccccc3)nn12 9348380 QBKGITIGGVCBTK-UHFFFAOYSA-N 389.415 2.568 0 40 GFAB O=C(Nc1ccccc1N1CCC(O)CC1)C1=NN(c2ccccc2)C(=O)CC1 97701222 TWOSDGYAGYBTDX-UHFFFAOYSA-N 392.459 2.769 0 40 GFAB CC(C)n1ccc2ccc(C(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)cc21 95477533 NOQIFUMIILGXGY-UHFFFAOYSA-N 390.443 2.655 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)N(C2CC2)C3=O)c(C)c1 95466323 KHJIGGPLBKEDOT-UHFFFAOYSA-N 386.429 2.563 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 95945543 SZOMWGKGEOSXPA-QGZVFWFLSA-N 378.425 2.954 0 40 GFAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 95963959 DGHZJOSQPQDFLE-WMZOPIPTSA-N 396.491 2.888 0 40 GFAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCOC[C@H]2c2ncon2)c1 95981443 NKFHLMCBVKASGF-AWEZNQCLSA-N 378.816 2.531 0 40 GFAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2cccnc2)CC1 89396294 QRBVEDVKRAUPEW-KRWDZBQOSA-N 388.855 2.799 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1ccc(F)cc1 33758001 YGAHOBMGWNKVPH-UHFFFAOYSA-N 394.468 2.863 0 40 GFAB COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc2c1OCO2 35326592 YJNRXXHBRODLRR-KRWDZBQOSA-N 381.340 2.521 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637639 XDFYFILYSFZWRM-UHFFFAOYSA-N 386.502 2.716 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 223794897 HOQVHHCTCKVOOP-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)OC(C)C)cc2)cc1 40023642 VJVRPERUCIWDRY-UHFFFAOYSA-N 375.446 2.933 0 40 GFAB CC(C)(C)CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 226063605 VQENSIZKTRQGEI-UHFFFAOYSA-N 381.325 2.917 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCO2 222393689 FTRPVEZPUJLEFR-INIZCTEOSA-N 382.460 2.820 0 40 GFAB NC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 239433972 YVJUVPURECJFHY-UOVKNHIHSA-N 388.489 2.967 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3cccc(OC)c3)ccc2NC1=O 96182262 IHNBGUYZTSCBAH-HXUWFJFHSA-N 384.388 2.600 0 40 GFAB O=C(c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1)N1CCCCC1 96156105 LQBJEKUSWHPZQA-UHFFFAOYSA-N 390.491 2.682 0 40 GFAB CC[C@H](CO)NC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96266867 ZKPOMBXMUINJHH-QGZVFWFLSA-N 389.459 2.747 0 40 GFAB O=c1c(-c2nc(-c3cnccn3)no2)cccn1CCOc1ccc(F)cc1 90592143 REYCXUDPJJLDHR-UHFFFAOYSA-N 379.351 2.573 0 40 GFAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1 96087248 LHNGGLOJSLCTEN-KRWDZBQOSA-N 375.444 2.897 0 40 GFAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(Cc1ccsc1)C2 96077316 DGPYVZGCCIETLL-GOSISDBHSA-N 375.519 2.649 0 40 GFAB O=C(CN1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CC1 257326558 WXQHLNIHCNSXNR-LBPRGKRZSA-N 380.370 2.823 0 40 GFAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1 257314478 UXEKDCYIGOFXFI-CYBMUJFWSA-N 381.465 2.713 0 40 GFAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 622790647 VRRNFFPXBPLJGB-YLJYHZDGSA-N 396.491 2.908 0 40 GFAB O=C(NCCn1nc(-n2ccc3ccccc32)ccc1=O)NC1CCCCC1 96097969 GDHOCDBEZWGBJN-UHFFFAOYSA-N 379.464 2.819 0 40 GFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)CCc2ccccc2F)CC1 96120392 JMJUKAKKJLAXTO-UHFFFAOYSA-N 390.484 2.587 0 40 GFAB O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cccs1 96121467 USCPOSQGIKCPIV-UHFFFAOYSA-N 388.518 2.864 0 40 GFAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106019 FCILCPAGBWOSQT-MOPGFXCFSA-N 387.499 2.524 0 40 GFAB Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)Nc1cccnc1-n1cccc12 72342959 GFYCRPIQANZOFB-UHFFFAOYSA-N 382.855 2.816 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)ccn1 1615128410 JCOAKTYWRADKPS-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB COC(=O)C[C@@H](CNC(=O)[C@@H](C)NC(=O)OCc1ccccc1)c1ccccc1 5531815 RXURWQNLJWCOMM-APWZRJJASA-N 398.459 2.764 0 40 GFAB COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCCC1 13581527 VDOQCJKUTVCWKQ-UHFFFAOYSA-N 392.477 2.783 0 40 GFAB CN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 16556078 AXOHJQQSVBUYQB-UHFFFAOYSA-N 388.374 2.595 0 40 GFAB Cc1nc2cc(C(=O)N3CCc4nc([C@@H]5CCCN5C)ncc4C3)ccc2n1C 19286530 XEBGMGRZDZQKCB-FQEVSTJZSA-N 390.491 2.637 0 40 GFAB Cc1nn(C)cc1C(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 19583565 LFKLUGIGIBOLME-LAUBAEHRSA-N 384.455 2.536 0 40 GFAB Cc1cc(NC(=O)CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1C 19658767 OTHLZWHQQHROQQ-UHFFFAOYSA-N 398.898 2.691 0 40 GFAB O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCN(C3CCCC3)CC2)CC1 19748176 GXJFTBFIOUPJMF-UHFFFAOYSA-N 397.563 2.945 0 40 GFAB C[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H]([C@H](C)C(=O)O)O2)O1 103240499 VIHRKOVEWCGJQP-JHYQVHTPSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro O=C(Cc1ccccc1F)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 12258572 FUMDNCGOXSHXAI-UHFFFAOYSA-N 393.422 2.727 0 40 GFAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@H]2CCS(=O)(=O)C2)sc1C 12228302 NRMIDJWTQOWAEW-KBPBESRZSA-N 384.548 2.656 0 40 GFAB COc1ccc(-n2ccn(Cc3ccc(F)cc3Cl)c(=O)c2=O)cc1OC 4569914 ZUIYTVYDGUNESM-UHFFFAOYSA-N 390.798 2.857 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 5298840 KQJCGQBRPHEZCS-HNNXBMFYSA-N 378.475 2.743 0 40 GFAB COc1ccc(OCCNC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)cc1 100228254 PCCBQANFGBEAMX-UOBYYGQQSA-N 386.492 2.665 0 40 GFAB COc1cccc2sc(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)nc12 2086889576 WRBZBLNEXQSENE-LBPRGKRZSA-N 381.523 2.698 0 40 GFAB COc1cccc(-c2cc(C(=O)NC[C@H]3CCCN3c3nccs3)n(C)n2)c1 206781784 NMIWGHXMRCGNNY-OAHLLOKOSA-N 397.504 2.951 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cc1 38730850 WSCGPRIAEBBAOU-MSOLQXFVSA-N 397.500 2.795 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cc1Cl 575618345 LWEUWKZHGZYZPG-UHFFFAOYSA-N 392.868 2.623 0 40 GFAB C=CC(=O)Nc1cccc(C(=O)Nc2cccc3c2CCN3C(=O)COC)c1 1633678783 JLDADSJFWNLTEC-UHFFFAOYSA-N 379.416 2.599 0 40 GFAB C[C@@H](C(=O)NCc1ccccc1)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 9639196 YRMUVQQDXQCQID-RNODOKPDSA-N 383.473 2.536 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3Br)cn2)CCO1 40112391 LNFXLUCYOFYHOO-ZDUSSCGKSA-N 390.281 2.999 0 40 GFAB CCSc1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc2n1 20191001 WMFVQPWKSBQLBN-UHFFFAOYSA-N 375.841 2.591 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 29805818 VQROFGODQUSJMR-SFHVURJKSA-N 398.488 2.754 0 40 GFAB O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cnc2ccccc2n1 32827696 IQVIIAPAWCLYHH-UHFFFAOYSA-N 389.503 2.568 0 40 GFAB Cc1ccccc1CC(=O)N1CCN(Cc2nncn2C2CCCCC2)CC1 77197348 AHVXEXDRYIGQKJ-UHFFFAOYSA-N 381.524 2.979 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n1C)S[C@@H](C)C2 4107810 BYHXVXJXTHYPSH-NSHDSACASA-N 391.518 2.947 0 40 GFAB CCOc1cc(NC(=S)NCCCN(C)C)c(OCC)cc1NC(C)=O 4127379 OZBABFPTKQEGHF-UHFFFAOYSA-N 382.530 2.681 0 40 GFAB C[C@H](NC(=O)c1ccco1)C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 21838204 LOYSYPBGNCUHPC-NSHDSACASA-N 379.796 2.956 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 6081721 JRVWJWDMVZDZGB-INIZCTEOSA-N 396.443 2.929 0 40 GFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC(=O)c1cccs1 7161203 WEHJMUOMHONOFW-UHFFFAOYSA-N 389.414 2.576 0 40 GFAB COc1ccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c(OC)c1 100158982 CBLHTKKXFZYGSQ-GASCZTMLSA-N 395.463 2.845 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)N(C)c1ccccc1)S(C)(=O)=O 10285891 KMHJKNZZLWENAH-UHFFFAOYSA-N 382.869 2.778 0 40 GFAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N[C@@H](C)CCc1ccccc1 42091401 JQXZQXQRVBTZSB-HNNXBMFYSA-N 376.460 2.820 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCC[C@@H]2CCCC[C@H]21 22803827 PEVHDGBCKAYQGX-RBBKRZOGSA-N 397.563 2.920 0 40 GFAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 47252527 UHTHJKGVFXTISE-CYBMUJFWSA-N 386.839 2.951 0 40 GFAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1)S(C)(=O)=O 20049849 QFDSBQNMSPTOLB-AWEZNQCLSA-N 376.478 2.972 0 40 GFAB Cc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)ccc2o1 24683949 WHZJOJQKRMKVFW-GFCCVEGCSA-N 379.372 2.857 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(OC)cc2OC)cc1 3291169 CFGDMHVETBGIGG-YRNVUSSQSA-N 399.443 2.628 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2cccc3ccccc23)c1 54591826 UGDPFJVOMSTJTJ-UHFFFAOYSA-N 384.457 2.557 0 40 GFAB COc1ccc(C(=O)Nc2nc(CN3CCOCC3)nc3ccccc23)cc1 22089463 OYWUOPGFTSJQNG-UHFFFAOYSA-N 378.432 2.723 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(CC[C@@H](C(=O)NCC3CC3)O2)[C@@H](C)C1 107271676 GTPWOZMAVANYHE-DKICVRJWSA-N 376.522 2.983 0 40 GFAB COc1cc(CN2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)cc(OC)c1OC 100214552 XYYPXKBNHJFUIC-GJZGRUSLSA-N 385.464 2.648 0 40 GFAB CCCn1c(=O)n(CCC(=O)Nc2cccc(C(=O)NC)c2)c2ccccc21 58372141 LKHZLGCIOSYAKH-UHFFFAOYSA-N 380.448 2.601 0 40 GFAB Cc1nc2ccc(N[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2s1 57722596 NQSLYUZNFZPNFZ-ZDUSSCGKSA-N 398.488 2.983 0 40 GFAB COc1ccc(OCC(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1 12651751 NLWLKOZIKAIRGS-UHFFFAOYSA-N 395.444 2.557 0 40 GFAB O=C(NCCOC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 17080815 QRMIKUHJQARBHD-UHFFFAOYSA-N 395.440 2.722 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1C 69519273 YSBHQIMKCREDML-UHFFFAOYSA-N 394.537 2.663 0 40 GFAB Oc1nnc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@H]2c1ccccn1 112000012 MVIQSKORBOUNME-HNNXBMFYSA-N 378.783 2.579 0 40 GFAB CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2102322 RTHRIGNITMAFDT-IBGZPJMESA-N 375.421 2.740 0 40 GFAB biogenic O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCN(Cc2ccccc2)CC1 28095691 BMALAHGJQRSOBY-UHFFFAOYSA-N 399.926 2.691 0 40 GFAB CCNC(=O)c1cccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)c1 12779199 IBJLQBBVGVKJRI-LJQANCHMSA-N 383.448 2.651 0 40 GFAB C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)NC1CCCCC1 12787830 PFSVFRPAQQBSTR-MRXNPFEDSA-N 399.491 2.784 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN[C@@H](C)CCc1ccccc1 12809549 VCFNHZKZVPPYCA-KXBFYZLASA-N 375.538 2.970 0 40 GFAB COc1ccccc1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3532862 SDIAGADTLPJLSW-SFHVURJKSA-N 388.489 2.555 0 40 GFAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 4065457 GIVNMNKYQKUZIQ-AWEZNQCLSA-N 383.242 2.657 0 40 GFAB O=C(CN1CCC[C@@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 8734635 BBRYTRAVOIAJRX-QGZVFWFLSA-N 381.432 2.943 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 4249450 MEDRVCLGLVNHEQ-LBPRGKRZSA-N 387.871 2.748 0 40 GFAB CN(C)c1ccc(NC(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)cc1 408976543 SAQUIRKWSKNNNB-UHFFFAOYSA-N 387.399 2.596 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 6324391 OXXLUTSKRVQONV-SOUVJXGZSA-N 396.443 2.766 0 40 GFAB CCn1c(C)nc2cc(C(=O)N3N=C(CCOC)C[C@@]3(O)C(F)(F)F)ccc21 5524834 LGUSAYONGHTULV-QGZVFWFLSA-N 398.385 2.854 0 40 GFAB CCOc1ccc(C(=O)COC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 6652186 RQDICLCNPLJZBI-UHFFFAOYSA-N 380.400 2.855 0 40 GFAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3)n2N)cc1 4740078 UNWDWKURBHXYKK-UHFFFAOYSA-N 384.461 2.863 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 26744842 KTZVYSALVVDTLD-UHFFFAOYSA-N 375.418 2.898 0 40 GFAB Cc1ccc(NC(=O)CSCC(=O)OCC(=O)N(C)c2ccccc2)cc1 5851678 LVGPEYDJBSBLQY-UHFFFAOYSA-N 386.473 2.873 0 40 GFAB COc1ccc(OC)c(N/C(C)=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 6904346 FNDGFBHEFJLVJF-ATVHPVEESA-N 381.388 2.673 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(F)cc1 20462375 GROYKBFCPOLKRA-UHFFFAOYSA-N 392.452 2.549 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 7016243 HBTNOMAXCLCVPA-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB O=C(COc1ccccc1F)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 8917351 WANWNBWWEVKXLZ-HNNXBMFYSA-N 395.427 2.560 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)Cc1ccc(F)cc1 7514869 OKDWAMBUHIEHKV-UHFFFAOYSA-N 392.814 2.662 0 40 GFAB COc1ccccc1CNC(=O)CCc1c(C)nc2nc(SC)nn2c1C 7667559 NRUBLUIWWCXVFW-UHFFFAOYSA-N 385.493 2.721 0 40 GFAB Cn1nc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c2ccccc2c1=O 7686899 HBQKWRYZNPTCPE-INIZCTEOSA-N 382.489 2.562 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2cnc3ccsc3c2=O)sc(C)c1C 16331300 GFPOIZLZXUABIC-UHFFFAOYSA-N 391.474 2.952 0 40 GFAB CC(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)c1 8065287 PVZNZNNVMUUZRR-UHFFFAOYSA-N 393.365 2.816 0 40 GFAB COCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2C(=O)O)c1 71287856 NHXCOFMYGJPUSO-UHFFFAOYSA-N 376.796 2.804 0 40 GFAB COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@H]2c1cc(OC)c2c(c1)OCCO2 84632672 SJGGWYVNZAEBPH-SFHVURJKSA-N 382.368 2.810 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3OC)C2)c(OC)c1 95945519 AJFODIZZEMGVIV-QGZVFWFLSA-N 390.461 2.823 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 408587928 APNJTGUNVIUALJ-OQLLNIDSSA-N 386.791 2.896 0 40 GFAB CCO[C@@H]1C[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)[C@@H]1Oc1ccccc1 1556309101 LFIAGDCCMHQBMQ-HDAAZOAOSA-N 380.444 2.602 0 40 GFAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)C5CC5)CCN4C)nnn3c2)cc1 306130241 IZVGCSSWXPPULV-FQEVSTJZSA-N 375.476 2.930 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 31812277 KJLVUXXQJSQWCM-UHFFFAOYSA-N 391.475 2.937 0 40 GFAB CCOc1c(Br)cc(CNn2cnnc2)cc1Br 35287241 WFPFSPNVHWXHRR-UHFFFAOYSA-N 376.052 2.946 0 40 GFAB COc1ccccc1N1CCN(c2ccc(C(=O)N3CCCC3)cc2N)CC1 225442663 BDJKZGZBAUYOMQ-UHFFFAOYSA-N 380.492 2.840 0 40 GFAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225698569 ISHLONAHVSPJAV-OAQYLSRUSA-N 392.496 2.848 0 40 GFAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1cccs1 225125408 WIGQLHLQRLYFBS-UHFFFAOYSA-N 397.474 2.683 0 40 GFAB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccccc1F)S(C)(=O)=O 220588461 YVCJRKHCQMLPOZ-GOSISDBHSA-N 390.480 2.955 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@]12C[C@@H]1COC2(C)C 528921227 SNISXYSZOQMEFG-KUHUBIRLSA-N 395.525 2.713 0 40 GFAB Cc1c(Cl)cc(F)c(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1F 573324411 DYWIPPMLAZYBMO-LLVKDONJSA-N 385.802 2.879 0 40 GFAB Cc1ccc(-c2ccc3nn(CC(=O)NC4CCCCC4)c(=O)n3n2)cc1C 49399325 VVEIRLVAUVWANP-UHFFFAOYSA-N 379.464 2.624 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)c1ccccc1 223517423 IPSYTJHCOJPCFV-UHFFFAOYSA-N 398.484 2.801 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)C)CC1 226077071 QBJVRZAFYNQUOI-UHFFFAOYSA-N 382.526 2.567 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)COCCN(c2ncccn2)C3)c1 96239995 STJCLGDHJXBGGW-UHFFFAOYSA-N 380.492 2.853 0 40 GFAB Cc1cc(O)nc2cc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)ccc12 579457680 SAHVPVHTPGOCKA-OAQYLSRUSA-N 390.399 2.556 0 40 GFAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1Cc1ccccc1 96116964 XIIQXOCNONZITR-GFCCVEGCSA-N 388.445 2.801 0 40 GFAB C[C@@H]1CN(c2nccc(CN3CCN([C@@H]4CCCC[C@H]4C)CC3)n2)C[C@@H](C)O1 248113868 OYHFXGNONNTNNM-ANTGDGSKSA-N 387.572 2.787 0 40 GFAB COc1cccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)c1OC 254752776 POTZMDFGUFJQTN-UHFFFAOYSA-N 383.404 2.522 0 40 GFAB Ic1cc2ncnc(N[C@H]3CCCOCC3)c2s1 593470120 PYHZJOJQVSTHPC-QMMMGPOBSA-N 375.235 3.277 0 40 GFAB CNC(=O)NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl 55855565 OYNFETRYBKCLIJ-UHFFFAOYSA-N 378.791 2.599 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 1615153789 CPYJEKHBNZQOCB-NRFANRHFSA-N 383.423 2.567 0 40 GFAB Cc1nn(CC(=O)N2c3ccccc3C[C@@H]2C)c(=O)c2cc3ccsc3n12 12114238 KBLJFHJODDWCGC-LBPRGKRZSA-N 378.457 2.997 0 40 GFAB COc1cccc2ccc(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)nc12 12120713 GCDGTVDPYYHAOA-UHFFFAOYSA-N 399.454 2.947 0 40 GFAB Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1F)[C@@H](CN(C)C)CO2 12406648 LCMBQPPTXNFUIF-INIZCTEOSA-N 378.469 2.648 0 40 GFAB CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581728 WAUUFBRICYXLNK-OAHLLOKOSA-N 390.505 2.745 0 40 GFAB CC(C)(C)NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13680713 BCYWFVZCIFAWJF-SFHVURJKSA-N 388.489 2.699 0 40 GFAB Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)Nc3ccc(C(N)=O)cc3)c2n1 17079887 KEZSYVGETABOTQ-UHFFFAOYSA-N 391.353 2.805 0 40 GFAB Cc1cc(C(F)F)nn1CC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19119157 LJXZGONWJNCSCT-UHFFFAOYSA-N 392.454 2.853 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)NCCn2nc(C)c(Cl)c2C)cc1C 19214282 KPRDQBVCPIGELH-UHFFFAOYSA-N 397.928 2.750 0 40 GFAB CO[C@@H](CNS(=O)(=O)c1cn(C)c(C(C)C)n1)c1ccc(Cl)s1 225707076 BMTZQOIQHZAVFF-JTQLQIEISA-N 377.919 2.924 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)CC2CCCC2)CC1 12187217 HCSKTXXUHBTHHE-UHFFFAOYSA-N 397.519 2.893 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 390825992 WUNHZAQQDICQIF-KSSFIOAISA-N 386.427 2.583 0 40 GFAB Cc1c(Br)ccc2[nH]c(C(=O)N3CCC4(CC3)CC(=O)N4)cc12 1118746603 CLCHWNYIROTUSJ-UHFFFAOYSA-N 376.254 2.734 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)o1 4278905 UYKNNKSISDKNSQ-WWGRRREGSA-N 384.379 2.857 0 40 GFAB COc1ccc(/C=C\C(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1OC 5220593 AHMFLRSUJXJUEM-DZFYGRHCSA-N 384.407 2.778 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)cc3C)OC2=O)cc1 8838597 IKSPQLFLGHMIRR-KRWDZBQOSA-N 390.461 2.616 0 40 GFAB O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(F)cc1 9660726 ZZNFDRZXGAHTOL-UHFFFAOYSA-N 379.366 2.933 0 40 GFAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccno2)o1 12234563 TTXAVWLWKDNHJD-UHFFFAOYSA-N 396.812 2.571 0 40 GFAB COc1ccc(CC(=O)NCc2n[nH]c(=S)n2-c2ccccc2OC)cc1 13524429 GIDMTMQMDFIZLX-UHFFFAOYSA-N 384.461 2.806 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15105966 HTMIVWKRALTAAE-LQBOVUBWSA-N 393.443 2.823 0 40 GFAB COc1c2ccc(C(=O)NC[C@@H]3CCCN(c4nccs4)C3)cc2nn1C 206832902 PSKNOIHXGYQUGE-ZDUSSCGKSA-N 385.493 2.685 0 40 GFAB O=C(NCCNc1cc(-n2cccn2)ncn1)c1ccccc1C(F)(F)F 23144405 QKEYVGHXYMHROD-UHFFFAOYSA-N 376.342 2.523 0 40 GFAB CN(Cc1ccccc1OC(F)(F)F)C(=O)NCC(C)(C)N1CCOCC1 40068735 SLLRXLSHHZVFMC-UHFFFAOYSA-N 389.418 2.837 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCc1cccc(OC(F)F)c1 50368071 YEYVUPKFDFCONB-UHFFFAOYSA-N 376.359 2.720 0 40 GFAB Cc1c(CCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(=O)oc2cc(O)ccc12 11867137 DOXLFTXIBWNBEV-OYHNWAKOSA-N 385.460 2.893 0 40 GFAB biogenic O=C(CNC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 902133 KAIJPCROOWJTQV-UHFFFAOYSA-N 379.526 2.722 0 40 GFAB CC(C)c1noc(CCCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)n1 46784980 MOIRLYLLBLKHNC-HNNXBMFYSA-N 382.468 2.965 0 40 GFAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3595053 VYATZEGXLHIBOC-QGZVFWFLSA-N 386.279 2.923 0 40 GFAB COCCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O 4131467 JDXQLDQOVPUMCT-UHFFFAOYSA-N 385.489 2.953 0 40 GFAB CCNc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)s1 7248381 ZWQCSGDFMLJYKJ-SNVBAGLBSA-N 377.495 2.826 0 40 GFAB C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2[nH]1 60932740 JOMUWJLVAUMBNL-CYBMUJFWSA-N 375.432 3.000 0 40 GFAB CC(C)C(=O)Nc1cccc(N[C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)c1 46834567 BLKSNAVYEYECGY-KRWDZBQOSA-N 395.415 2.723 0 40 GFAB O=C(NCc1ccco1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298635 HQCBAROQBYFOOA-NSHGMRRFSA-N 391.475 2.565 0 40 GFAB biogenic,in-vitro COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810932 PDDCOTKVRCJVSR-NSHDSACASA-N 384.404 2.530 0 40 GFAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(C/C=C/c2ccccc2)CC1 22875469 ZZEIRQHQDRZKNV-JXMROGBWSA-N 382.508 2.530 0 40 GFAB O=S(=O)(c1cc(Cl)c(Br)cc1Cl)N1CCOCC1 54363468 HFYOBKSSRDIHAO-UHFFFAOYSA-N 375.071 2.777 0 40 GFAB CCc1nn2c(=O)cc(CSc3nnnn3-c3c(C)cccc3C)nc2s1 9479576 JZHHPKODQNGTPN-UHFFFAOYSA-N 399.505 2.598 0 40 GFAB Cc1nn(C)c2ncc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)cc12 24198208 HPIOPRNFQJCQAR-UHFFFAOYSA-N 378.432 2.870 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cc1NC(C)=O 24577686 IPIBKUDKMVMPGD-UHFFFAOYSA-N 386.433 2.640 0 40 GFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 50538977 NCBMYTSFKJNSSQ-DAYGRLMNSA-N 394.475 2.792 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccccc2OC)sc2cc(OC)ccc21 100877088 BGYORVGIDITJRI-VXPUYCOJSA-N 386.429 2.634 0 40 GFAB CN(CCOc1cccc(Cl)c1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 26553457 WPHGSLWAQWCJQY-GOSISDBHSA-N 385.855 2.648 0 40 GFAB CN(C)Cc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 108771698 KLEJQOOHMYOXPH-NRFANRHFSA-N 379.504 2.917 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)NCc3cccnc3N3CCOCC3)ccc12 57940745 GOSPGPIDRGRRER-UHFFFAOYSA-N 394.431 2.655 0 40 GFAB CCN(c1ccc(C(=O)N(C)Cc2ccccc2OC)cc1)S(C)(=O)=O 20481479 UKFLWVNTWLMYMI-UHFFFAOYSA-N 376.478 2.753 0 40 GFAB CC(C)C(=O)N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 58050059 BYIAZPSLILVHKY-UHFFFAOYSA-N 393.285 2.799 0 40 GFAB Cc1ccc(-c2nc(COC(=O)c3cccnc3N3CCOCC3)no2)cc1 22976843 ZZNZNCALRTUFNV-UHFFFAOYSA-N 380.404 2.634 0 40 GFAB CN1C(=O)c2ccc(NC(=O)CCCc3nc(-c4ccccc4)no3)cc2C1=O 27450841 AIILCGLWCDPZRJ-UHFFFAOYSA-N 390.399 2.924 0 40 GFAB C[C@@H]1[C@@H]2[C@@H](c3ccc(Br)cc3)N(C)C(=O)N(C)[C@H]2N(C)C(=O)N1C 102668881 JKBNGUTWVQJJLM-JUDXGUMMSA-N 395.301 2.815 0 40 GFAB CCOC(=O)C1=C(CN(CC)C(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1 58200994 VVJVDTKVFSXIDP-SFHVURJKSA-N 375.469 2.597 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)cc1OC 2265541 WLQTXTZUEBMGII-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(C(=O)OC)cc3)N2C1=O 2252686 NPNUPDSSANSCPH-UKRRQHHQSA-N 388.445 2.685 0 40 GFAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccccn3)cs2)C1=O 28641626 SJNZEROCAIYULO-LBPRGKRZSA-N 380.429 2.958 0 40 GFAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)c1 2403059 VSOVXBUPQBIAPJ-LJQANCHMSA-N 378.428 2.908 0 40 GFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccc(F)cc2)cc1 2422906 ULOJQOIQJQKPIX-UHFFFAOYSA-N 393.418 2.902 0 40 GFAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 3325318 XJRKYXPKSMXFMZ-LLVKDONJSA-N 377.315 2.737 0 40 GFAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1 45953478 OJRYUANELRBUAU-LLVKDONJSA-N 384.276 2.868 0 40 GFAB Cc1ccoc1C(=O)OCC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12774020 PLCCVTRSEJZTFD-UHFFFAOYSA-N 382.294 2.749 0 40 GFAB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)Nc1ccccc1Cl 8734134 YPZPCSGDWVKMOF-UHFFFAOYSA-N 393.900 2.834 0 40 GFAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(S(=O)(=O)NC2CC2)cc1 48375232 HHLDBOXUPIFGBD-UHFFFAOYSA-N 396.871 2.779 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(NC(C)=O)c2)c1C 3461422 WJGVIYBCVHLUPG-UHFFFAOYSA-N 386.404 2.806 0 40 GFAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(C(=O)c2cccs2)CC1 12904508 HWBDRPZVGNABLK-UHFFFAOYSA-N 394.500 2.851 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccncc2)CC1 12976748 SPTQLGHRPHCAKI-UHFFFAOYSA-N 381.432 2.749 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)c2ccccc2O1 13436767 IIOHTCSZJKKTEA-SFHVURJKSA-N 380.400 2.696 0 40 GFAB Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)oc2c(C)c(O)ccc12 4084575 APTJEFCRAPPUFD-UHFFFAOYSA-N 381.384 2.703 0 40 GFAB biogenic CCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C(C)C)sc3n2)s1 20983564 IJMKOKUPKJPRTB-UHFFFAOYSA-N 396.523 2.767 0 40 GFAB CCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4469014 LHPUHYCPQVQLRG-HSZRJFAPSA-N 391.471 2.819 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCc2sccc2[C@@H]1c1ccccc1 65547791 KNEODMVBFGFIOY-PBHICJAKSA-N 376.503 2.592 0 40 GFAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1F 6552672 YOZQOLPTNXGFCA-UHFFFAOYSA-N 391.374 2.585 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1C 6604472 JWJOIBYGPZURAD-UHFFFAOYSA-N 377.418 2.964 0 40 GFAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCC(C(N)=O)CC3)c(C)c12 6623949 NTORYHHBAODIKM-UHFFFAOYSA-N 396.443 2.731 0 40 GFAB biogenic O=C(C1CCCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 4783617 LRQZFAUKZWFVOB-UHFFFAOYSA-N 386.883 2.725 0 40 GFAB O=C(O)Cn1c(=O)c2c3c(sc2n(CCCc2ccccc2)c1=O)CCCC3 6759739 PKYDAFXMYUIBOG-UHFFFAOYSA-N 398.484 2.821 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 14868129 PLFVMMAAZSBIHE-UHFFFAOYSA-N 393.915 2.565 0 40 GFAB CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 4995987 KDTNISJAVRBMAR-UHFFFAOYSA-N 376.478 2.759 0 40 GFAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1n[nH]c(=O)c2ccccc12 7117925 LPSKKVJVWGSPLG-UHFFFAOYSA-N 376.460 2.839 0 40 GFAB COc1cc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc([N+](=O)[O-])c1 15566147 MMIDVDSZYUVLHP-UHFFFAOYSA-N 384.344 2.528 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1S(=O)(=O)N1CCOCC1 15792346 OLTBRCMQFCQBIR-YXJHDRRASA-N 394.537 2.570 0 40 GFAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)n1 7530360 YLHCHVJQVQMDSO-UHFFFAOYSA-N 385.497 2.649 0 40 GFAB Cc1cccc(N[C@@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)c1 9338854 VGHRVOCMMBQHNA-MRXNPFEDSA-N 395.440 2.725 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1 8209303 NGHFUJIOVKLMGR-UHFFFAOYSA-N 394.566 2.592 0 40 GFAB CC(C)c1nc2cc(NC(=O)[C@H](c3ccccc3)n3cnnn3)ccc2n1C 95476504 HBKBQSDUDRZMSQ-SFHVURJKSA-N 375.436 2.911 0 40 GFAB COCCn1ccc2c(NC(=O)c3ccc(-n4nnnc4C)cc3)cccc21 95479033 OZYDIJCDYSFOFP-UHFFFAOYSA-N 376.420 2.824 0 40 GFAB CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 95429813 ORFKUBFYPLKMKF-SYTKJHMZSA-N 391.320 2.935 0 40 GFAB CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1O 95993317 FGQOMLJJLCROOQ-UWVGGRQHSA-N 382.345 2.928 0 40 GFAB NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CCCc2ccccc21 89858237 MOVTVCBKJCBWRD-SFHVURJKSA-N 379.460 2.681 0 40 GFAB COc1cccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 408624713 TZMKUPJVRWKPTN-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCCC(=O)O)=N1 34857343 RHVZQDGTHXWHEZ-CYBMUJFWSA-N 388.276 2.961 0 40 GFAB O=C(CSc1ccc(-c2ccc3c(c2)OCCO3)nn1)NCc1ccco1 35315417 HMCYSZYYUICOCH-UHFFFAOYSA-N 383.429 2.916 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(CO)CO 218474347 HVOACNFBDFSBJO-JKSUJKDBSA-N 387.284 2.904 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1OC 30755944 KKBZQYANNAEACI-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 36741191 PPPXMFCBWJAEFD-HSZRJFAPSA-N 397.494 2.980 0 40 GFAB CCCc1noc([C@@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CC)n1 31738438 QBHNHOQBHYRHEV-SNVBAGLBSA-N 395.510 2.892 0 40 GFAB Cc1cccc(Nc2cnc([C@@H]3CCCN(S(=O)(=O)C(C)C)C3)cn2)n1 72363643 AEMWSIKLPWWOQR-OAHLLOKOSA-N 375.498 2.841 0 40 GFAB COCCN(Cc1ccccc1)C(=O)CCN1C(=O)c2ccc(C)cc2C1=O 36624608 CLVJOIMGXSRYSA-UHFFFAOYSA-N 380.444 2.656 0 40 GFAB CCOC(=O)Cc1csc(NS(=O)(=O)CCOc2ccc(CC)cc2)n1 70637857 AEFWDIIBDOJMHM-UHFFFAOYSA-N 398.506 2.632 0 40 GFAB O=C(CN1CCC(CN2CCCCC2=O)CC1)NC1C2CC3CC(C2)CC1C3 567832245 GWMIJOZUZZHTSU-UHFFFAOYSA-N 387.568 2.652 0 40 GFAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1NC(C)=O 223964373 ULCKMYPVQKVVCB-UHFFFAOYSA-N 392.477 2.628 0 40 GFAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCNc1ncccn1 48355045 RYJQBFNIPACBGC-UHFFFAOYSA-N 386.459 2.976 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2cc(OC)ccc2OC)ccc1C 223896382 NJHRERPVIHTZLG-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1C 225629319 FBHQYXYZYRLFIR-UHFFFAOYSA-N 398.488 2.720 0 40 GFAB COCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br 227153496 CBLUSFJFJHCXEP-UHFFFAOYSA-N 396.285 2.945 0 40 GFAB COc1cc(OC)cc(C(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)c1 40386350 MVXVNVYRUCNAAV-LJQANCHMSA-N 394.427 2.886 0 40 GFAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC(=O)N2C)cc1 96181236 MBPUTTBQAVIFEI-UNMCSNQZSA-N 393.487 2.990 0 40 GFAB O=C(c1ccnnc1)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 96080242 ZWJPJGAPAHQUDU-UHFFFAOYSA-N 376.460 2.797 0 40 GFAB COc1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(N)nc4)CCO3)n2)cc1 257265109 LXJDZTNXVDYETE-FQEVSTJZSA-N 390.443 2.948 0 40 GFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cn[nH]c1 604405208 MZXWIVIVQZAMIF-IBGZPJMESA-N 387.399 2.553 0 40 GFAB biogenic Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cncc(C(=O)O)c3)C2)cc1 630113306 DRYVUSGHHPCMOJ-HNNXBMFYSA-N 396.447 2.762 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1 96099400 PRIHVRCBYSCBCO-UHFFFAOYSA-N 386.473 2.724 0 40 GFAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)[C@@H]1COc2ccccc2O1 96121657 NDMLOKRFCDRYIS-NRFANRHFSA-N 390.443 2.779 0 40 GFAB CC(C)Oc1ccccc1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12 298127375 DMBYQUBBFYFBDR-UHFFFAOYSA-N 379.460 2.930 0 40 GFAB NC(=O)C1CCN(C2CN(C(=O)CC(c3ccccc3)c3ccccc3)C2)CC1 390825817 FYXHZBIKRQYLAG-UHFFFAOYSA-N 391.515 2.617 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)c1F 390827785 KDYXUCTVDLGJIA-LLVKDONJSA-N 387.440 2.923 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCc4ccncc4)CS3)C2)cc1 575405233 XKXTWPIXTNNNJS-QGZVFWFLSA-N 390.530 2.855 0 40 GFAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCN(Cc2ccccc2)CC1 56851686 ODPKVGCVGGVAMJ-SFHVURJKSA-N 395.503 2.993 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)N1CCO[C@@H](c2cccc(F)c2)C1 67042529 JRZHYIGCDCKURG-GOSISDBHSA-N 381.411 2.690 0 40 GFAB COc1ccc(C2(C(=O)N[C@@H](C)Cn3nc4c(cc3=O)CCCCC4)CC2)cc1 72325004 TUXGQIAORGGQMC-INIZCTEOSA-N 395.503 2.757 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H](C(=O)O)C1 1615852526 OKXKHRRHRTZBJM-HNNXBMFYSA-N 378.425 2.577 0 40 GFAB COC(=O)c1cc(OCC(=O)NCc2ccccc2Cl)cc(C(=O)OC)c1 11205746 YCZZERVCBXIWKV-UHFFFAOYSA-N 391.807 2.608 0 40 GFAB Cc1cc(C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)sc1C 12121471 RSXXQMOTHWLCLO-UHFFFAOYSA-N 385.536 2.640 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 14091639 VBPFKPRAKCDCKD-UHFFFAOYSA-N 382.489 2.823 0 40 GFAB CCc1nn2c(C)c(C(=O)N3CCN(CC)CC3)nnc2c1-c1ccc(F)cc1 14607693 JGSDZDOJLMYNCD-UHFFFAOYSA-N 396.470 2.579 0 40 GFAB CCCCc1nn2c(=O)cc(COC(=O)COc3ccccc3C)nc2s1 15734077 IMMHYGLMMDERLN-UHFFFAOYSA-N 387.461 2.924 0 40 GFAB CCN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccco2)CC1 19528002 XBJXIWXMCKIULH-SFHVURJKSA-N 386.887 2.695 0 40 GFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(-n2cccn2)ccc1Cl 19664902 IKDRYLORXMMLHR-GOSISDBHSA-N 380.835 2.578 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCC(=O)N2C 19696338 MYVGEUYWFHHTFZ-MRXNPFEDSA-N 396.466 2.782 0 40 GFAB Cc1cccn2cc(C(=O)N[C@@H](CCN3CCOCC3)c3ccccc3)nc12 19718779 KSVNSCQOZVYVLV-IBGZPJMESA-N 378.476 2.836 0 40 GFAB COc1ccc(CCN2CCN(c3cc(C)nc([C@H]4CCNC4)c3)CC2)cc1 19739045 YQSQDFSEIJUSMT-FQEVSTJZSA-N 380.536 2.840 0 40 GFAB CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929671 NEYPGBYMGFTHGO-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB COC(=O)[C@](NC(=O)c1ccc(C)cc1)(Nc1cc(C)ccn1)C(F)(F)F 19944438 DWIPBDNXSWFKCP-QGZVFWFLSA-N 381.354 2.972 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H](N=c2nc(Cl)nc3[nH][nH]c(Cl)c2-3)C1 604220545 KJRDPAKTMHGSJO-MRVPVSSYSA-N 387.271 2.845 0 40 GFAB CC1CCN(CC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)CC1 12240071 KZOGWFHXVXDJFO-UHFFFAOYSA-N 394.519 2.772 0 40 GFAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)on1 13225999 LBQPNODYBLJBKR-OAHLLOKOSA-N 389.525 2.939 0 40 GFAB COc1ccc(C)c2sc(N3CCO[C@H](C(=O)N4CCCCC4)C3)nc12 1888863776 NJFNABAASHKAIZ-HNNXBMFYSA-N 375.494 2.831 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)s1 1888918103 NMJNMUDSJFJVFB-ZDUSSCGKSA-N 383.882 2.599 0 40 GFAB Cc1cccc(NC(=O)Cn2ccn(-c3ccc(F)c(Cl)c3)c(=O)c2=O)c1 4570033 CBJUXTHCKJERRV-UHFFFAOYSA-N 387.798 2.739 0 40 GFAB COc1ccc(-c2ncnc(N3CC(N(C)C(=O)c4ccncc4)C3)c2F)cc1 1775974867 UUYCZJQSPNFAHD-UHFFFAOYSA-N 393.422 2.647 0 40 GFAB FC(F)(F)c1cccc(OCC2CCN(c3ccc4nncn4n3)CC2)n1 585531852 ITDQJTAQQXYNNI-UHFFFAOYSA-N 378.358 2.834 0 40 GFAB Nc1c(Cl)cc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1Cl 10431319 KRHJFGQOEVQSDF-UHFFFAOYSA-N 393.230 2.880 0 40 GFAB Cc1ccc([C@H](CNC(=O)CCc2nc3ccccc3[nH]2)N2CCOCC2)o1 40018110 XLHDAYDXKZGMEB-SFHVURJKSA-N 382.464 2.587 0 40 GFAB O=C(CN(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)NC1CCCCCC1 40012100 IEDNLLTUZDMGRE-INIZCTEOSA-N 384.567 2.576 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)NCc2cccs2)ccc1C 30497959 SPEXHRBUOAOLPU-UHFFFAOYSA-N 395.550 2.815 0 40 GFAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20391312 QDTOPUFDAJCWCZ-QWRGUYRKSA-N 379.844 2.656 0 40 GFAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(C(=O)C2CC2)CC1 51428997 HURUMPFUBJGSPT-QGZVFWFLSA-N 398.532 2.514 0 40 GFAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nnc(C)s1 906561 GOPYCSUASHZOOI-UHFFFAOYSA-N 390.494 2.768 0 40 GFAB O=C1N[C@@H](c2cccc(Cl)c2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 1295780 JMWAGBGINOXEHS-WWGRRREGSA-N 399.756 2.839 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(C)n1C[C@@H]1CCCO1 1355773 VUCSYQIFJCFVQZ-AWEZNQCLSA-N 376.482 2.895 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 79108008 JNWTVYPSCHHERS-UHFFFAOYSA-N 389.355 2.868 0 40 GFAB CC(=O)N(C(C)=O)n1c(COc2c(C)cccc2C)nc2ccccc2c1=O 6924926 SWKOFDFIVSZBJH-UHFFFAOYSA-N 379.416 2.623 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(F)cc2)CC1 7106126 SZCRRPXVYYIAAH-OAHLLOKOSA-N 385.414 2.667 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2cc(C3CC3)nn2-c2ccccc2)C[C@@H](C)O1 7233476 IIWFWSPVYPMXPB-GASCZTMLSA-N 383.448 2.542 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2OC(F)F)cc1 21967080 ALYQOWPGBSOSCS-UHFFFAOYSA-N 396.415 2.893 0 40 GFAB CCc1nnc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)s1 103171968 CPEZDFKUCPUWGR-YXAMBPQSSA-N 394.456 2.664 0 40 GFAB O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccc2)CC1 3006066 VLPIWQCCKWVKIB-UHFFFAOYSA-N 388.471 2.649 0 40 GFAB COc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 57576330 TZQOVBVNIMYTOI-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB Cn1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 47527395 OUUVBWZCCTUELJ-GFCCVEGCSA-N 378.379 2.512 0 40 GFAB C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 47657674 UBQWUYBOSDWFDL-VIFPVBQESA-N 378.397 2.641 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1C 809999 OEQZWSGKXPNRJS-UHFFFAOYSA-N 387.505 2.637 0 40 GFAB O=C(CN1CCN(C(=O)C2CCCC2)CC1)Nc1ccc(N2CCCC2)cc1 12523363 KIXSTPIUZBPSRR-UHFFFAOYSA-N 384.524 2.560 0 40 GFAB COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1C 12631029 MJZNUOQKVHGFGQ-ZDUSSCGKSA-N 391.445 2.803 0 40 GFAB CC(C)C(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 35413650 RWEIWQLWFTZTBS-CYBMUJFWSA-N 387.402 2.712 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N(C2CC2)[C@H](C)c2ccccn2)s1 58225206 DRYHZTAYWNWHSX-GFCCVEGCSA-N 379.507 2.694 0 40 GFAB NC(=O)N[C@H](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1F 27843624 LMVLSGKHHKWFMG-DNVCBOLYSA-N 384.455 2.568 0 40 GFAB COc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1OCC(N)=O 27825388 JFRGUIBFZFQKII-UHFFFAOYSA-N 384.310 2.710 0 40 GFAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)c1 58368609 SUILZMOMEORWTQ-UHFFFAOYSA-N 394.424 2.939 0 40 GFAB Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccco3)ccc21 2334438 DXUVYXAVOLLDCZ-UHFFFAOYSA-N 378.388 2.984 0 40 GFAB COc1cc(C)c(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1OC 11551120 BKIPPOWKIFAHDI-UHFFFAOYSA-N 379.420 2.519 0 40 GFAB CCn1c(SCC(=O)NCCOC)nc2scc(-c3ccco3)c2c1=O 8748156 QHSNCNPRESJTLR-UHFFFAOYSA-N 393.490 2.593 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)Nc1cccnc1 6023872 ZEONPXHQULSFQV-MRXNPFEDSA-N 393.534 2.737 0 40 GFAB CCN(Cc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8994020 GKSUXSLZBVAMCE-UHFFFAOYSA-N 384.867 2.847 0 40 GFAB Cc1ccc2c(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc(=O)oc2c1 6589063 YIHDWMQGSDAQPZ-JOCHJYFZSA-N 390.395 2.831 0 40 GFAB Cc1oc2cc(OCC(=O)N(C)CCO)ccc2c(=O)c1Oc1ccccc1 8992191 REOVIYNFHHLITP-UHFFFAOYSA-N 383.400 2.723 0 40 GFAB Cc1csc2ncc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)n12 20767591 MNRVKXZLARPEJG-VMPITWQZSA-N 394.500 2.536 0 40 GFAB CCn1c(SCC(=O)OCc2ccc(C(=O)OC)o2)nnc1-c1ccco1 4788197 HYNAKJWTKKWCDW-UHFFFAOYSA-N 391.405 2.773 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 15182922 UBRYUCOAHVKPBK-ZCFIWIBFSA-N 386.248 2.725 0 40 GFAB CC[C@H](C)NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208403 XJWANXJZACGJET-AWEZNQCLSA-N 375.432 2.626 0 40 GFAB Cn1cnnc1-c1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 67480745 PKLXYXRQTCDLLQ-LJQANCHMSA-N 389.459 2.654 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 8185158 VAJCCJJBOYJFHF-HZPDHXFCSA-N 398.459 2.962 0 40 GFAB COc1cc(C(=O)N[C@@H]2CCCNC2=O)ccc1OCc1ccccc1Cl 69331241 WOTHBUXQPFFBDI-MRXNPFEDSA-N 388.851 2.936 0 40 GFAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(-n2ccnc2)cc1 9378280 KZWSBIHTFHJPIQ-INIZCTEOSA-N 390.443 2.865 0 40 GFAB CNC(=O)c1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 8423917 WDVCKRGMJSVIQU-UHFFFAOYSA-N 380.448 2.929 0 40 GFAB COc1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1OC(F)F 83855548 NZNCOCBHRPZWJQ-RISCZKNCSA-N 392.424 2.726 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 22227106 SVDKCPAFFMCBIB-UHFFFAOYSA-N 378.519 2.895 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 20493374 QXVLDLPDEJWFAO-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CCOC(=O)[C@H](Cc1ccccc1)OC(=O)Cn1cc(C(F)(F)F)ccc1=O 96999118 WGYIKMSTLHBCDY-HNNXBMFYSA-N 397.349 2.585 0 40 GFAB CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 84718649 ORFLIAGRMRDCMA-LJQANCHMSA-N 385.508 2.507 0 40 GFAB NC(=O)c1cccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1 95956489 NDWLYBLCGWBIIY-UHFFFAOYSA-N 378.388 2.877 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc(OC)ccc3OC)C2)c1 89469719 HMKACIKKJAEBGW-GOSISDBHSA-N 390.461 2.823 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1-n1cnnn1 61719591 YWLYGLNAQZGLSR-UHFFFAOYSA-N 396.882 2.710 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)NC2CCCCCCC2)ccc1C 408606970 PNOJCFOEOJOPRU-UHFFFAOYSA-N 382.526 2.762 0 40 GFAB CCOC(=O)CN1C(=O)S/C(=C\Nc2ccc(Br)cc2)C1=O 36636247 AUWSBQDVXCZBSO-XFFZJAGNSA-N 385.239 2.961 0 40 GFAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1nc(-c2ccccn2)cs1 524733176 BVVGUGBKWZXGTB-CQSZACIVSA-N 383.462 2.871 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)nc1C 33154409 GVNMOSVZBHHDGF-ZDUSSCGKSA-N 377.397 2.899 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218527077 DFNOHQDZDNWXQD-JENIJYKNSA-N 393.892 2.788 0 40 GFAB Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 71285325 KMMFHNXGCFBWDJ-CQSZACIVSA-N 381.823 2.858 0 40 GFAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223118790 BBMQSKITFOATHD-HXUWFJFHSA-N 388.895 2.798 0 40 GFAB C[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCSCC1 226754833 HJXBQEOTRPWWDJ-SNVBAGLBSA-N 384.299 2.679 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccnc(O[C@H]3CCSC3)c2)CC1 225718628 IKNCMBHNQSVZNA-KRWDZBQOSA-N 399.516 2.937 0 40 GFAB COc1ccc(/C=C/C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1OC 40051623 TZKRVFXLSMLTAI-ONNFQVAWSA-N 388.851 2.917 0 40 GFAB CC1(C)CC(NC(=O)C(=O)Nc2cccc(Br)c2)CC(C)(C)N1 42645672 FCBUICRGQMIPEF-UHFFFAOYSA-N 382.302 2.813 0 40 GFAB CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)C1 223202525 DAAVWYHQQZMZEP-XOBRGWDASA-N 391.899 2.986 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)CC3(Cn4cnnn4)CCCCC3)c2c1 95476615 VEJKNVHUQDRQAO-UHFFFAOYSA-N 396.495 2.863 0 40 GFAB O=C(c1ccnnc1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96062763 YGHSVBHIWVDRRE-UHFFFAOYSA-N 385.431 2.601 0 40 GFAB COCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccccc3C(C)=C[C@H]21 96551385 KBFDNAPGBWEVPX-AKHDSKFASA-N 396.487 2.524 0 40 GFAB Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)s1 95480675 CLUWJAIBIBFUBQ-UHFFFAOYSA-N 399.925 2.560 0 40 GFAB O=S1(=O)CCN(c2cccc(N[C@@H]3CCN[C@H](c4ccccc4)C3)c2)CC1 580049413 SDNUXHZONBGNEG-CTNGQTDRSA-N 385.533 2.827 0 40 GFAB CC(C)(C)CCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 604382028 ZRMNNQNHOBPZAM-LJQANCHMSA-N 386.540 2.726 0 40 GFAB biogenic,in-vitro CNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2ccccc2F)C1 257249653 JJGGOFHLMURIKS-NSHDSACASA-N 384.436 2.820 0 40 GFAB Cc1cccc(C(=O)N2CCC(Cc3cncc(-c4cncn4C)n3)CC2)n1 257301405 RYIDQIZVDYILPM-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB O=C(O)C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1 539573659 IWNIDNJNPJIBKK-KRWDZBQOSA-N 399.834 2.772 0 40 GFAB COc1ccc(CCNC(=O)N2CCCSC[C@@H]2CN2CCCC2)cc1 85473247 AXXSQBYPCADCLQ-SFHVURJKSA-N 377.554 2.851 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCO2)N(C)C 96096811 XMFLNAWZDHMRRD-QGZVFWFLSA-N 399.516 2.701 0 40 GFAB CN(Cc1cn(C)nn1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 585100195 GXSXPZRFHBKCOK-UHFFFAOYSA-N 398.492 2.813 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21)N1CCCC1 585111485 BSJQRCMSLQEUFJ-INIZCTEOSA-N 375.423 2.524 0 40 GFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)C2)n[nH]1 83996362 PACULHTXFBLNSE-SNVBAGLBSA-N 392.378 2.839 0 40 GFAB CN(C)Cc1ccc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cc1 12122591 UADJCHPVINUKJR-UHFFFAOYSA-N 375.476 2.864 0 40 GFAB COc1ccccc1OCCN(C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21 12325799 OCGGSSGADAIYCH-UHFFFAOYSA-N 390.823 2.794 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1C 17187751 BZBSAFBPFSTXBG-UHFFFAOYSA-N 390.480 2.898 0 40 GFAB C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Cn1nnc(-c2ccccc2)n1 19717852 UJVFANHCLFBHBP-CQSZACIVSA-N 392.438 2.718 0 40 GFAB CC(C)(CNC(=O)c1ccc(Nc2nc(=O)cn[nH]2)cc1)c1ccccc1F 19719251 DQDRWEXKAJCHQE-UHFFFAOYSA-N 381.411 2.755 0 40 GFAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242604 YVBYVZJRVSSXTM-GQCTYLIASA-N 398.456 2.573 0 40 GFAB COc1ccc(CN2C[C@@H](c3cccc(F)c3)[C@@]3(COCCC(=O)N3)C2)cc1 19555695 FXEGBXBYECFKSL-UNMCSNQZSA-N 384.451 2.709 0 40 GFAB COc1cccc(OC)c1CN1CCC2(CC1)CNC(=O)c1ccccc1O2 19567029 RXSJQHPKCBBNKA-UHFFFAOYSA-N 382.460 2.861 0 40 GFAB COc1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1OC 3418328 ZMLMTLWUWNUUNY-OAHLLOKOSA-N 391.855 2.773 0 40 GFAB Fc1cnc(OC[C@@]23CCC[C@@H]2CN(Cc2nnc(C(F)(F)F)o2)C3)nc1 1888866995 SQUJJXVYJVLQCI-BMIGLBTASA-N 387.337 2.699 0 40 GFAB CCc1nnc(NC(=O)c2cn(-c3ccccc3Br)nn2)s1 31874899 HRQFMBGXOYUHDS-UHFFFAOYSA-N 379.243 2.696 0 40 GFAB COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCCN(C(=O)OCc2ccccc2)C1 953033651 PTPWKUDWMZCJIX-HXUWFJFHSA-N 392.452 2.856 0 40 GFAB COc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1OC 4497037 QMKMADARKHWMKP-QGZVFWFLSA-N 382.460 2.785 0 40 GFAB O=C(NC1CCCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791552 BDZOALWKQIVPGE-UHFFFAOYSA-N 391.471 2.995 0 40 GFAB CN(C)CCN(C(=O)c1ccco1)c1nc2ccc(S(C)(=O)=O)cc2s1 7599666 QLSYCZHJCCMZQO-UHFFFAOYSA-N 393.490 2.501 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccccc4F)cnc32)cc1C 10252023 VPGVAICOBAUJMU-UHFFFAOYSA-N 377.379 2.722 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c1 17123137 VNSSMAXVEDVEBM-NRFANRHFSA-N 395.503 2.903 0 40 GFAB CCN1CCN([C@@H](c2ccccc2F)c2sc3nc(C)nn3c2O)CC1 22468445 YISDIGUQXORXKK-HNNXBMFYSA-N 375.473 2.671 0 40 GFAB CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1 43955194 IYJOZLGQUONKRS-UHFFFAOYSA-N 375.494 2.675 0 40 GFAB CC1CCN(c2nc(=O)cc([C@@H](C)NCc3ccc4c(c3)OCCO4)[nH]2)CC1 19497027 GZYOBMMZHZPESJ-OAHLLOKOSA-N 384.480 2.628 0 40 GFAB C[C@@H]1CN(C(=O)CNc2ccccc2C(=O)NCc2ccccc2)C[C@@H](C)O1 6653347 DGRXITACZCWSAU-IAGOWNOFSA-N 381.476 2.664 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)N3CCC4(CC3)OCCO4)cc2)C[C@H](C)O1 50081285 DOWBAGYAQAOLGR-HOTGVXAUSA-N 375.469 2.671 0 40 GFAB CC1=NN(c2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2)CC1 40143794 JSXUKWFXOFLGOW-UHFFFAOYSA-N 375.432 2.781 0 40 GFAB CN1CCCN(C(=O)COCCOc2ccccc2)c2nc3ccccc3nc21 40131508 NEAFFNUOJBZPJW-UHFFFAOYSA-N 392.459 2.898 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 20760167 JKSTXQLJJQWIAC-HXUWFJFHSA-N 375.428 2.867 0 40 GFAB biogenic Cn1c(S)nc2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2c1=O 102181690 JBBVMWZDQFJVQW-UHFFFAOYSA-N 389.864 2.684 0 40 GFAB Cc1nc2ccc(C(=O)N3CCN(C(=O)c4cccs4)CC3)cc2nc1C 32741093 PWZCJUTXPDOQNO-UHFFFAOYSA-N 380.473 2.906 0 40 GFAB CCOC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCN(C)C2 2746306 GTUAQGWZKPEMEE-UHFFFAOYSA-N 399.563 2.687 0 40 GFAB COCCn1c(SCC(=O)NCCc2ccc(OC)cc2)nc(C)c1C 32893892 QACKXSLJBWSFFI-UHFFFAOYSA-N 377.510 2.606 0 40 GFAB CN1CCN([C@H](CNC(=O)CCc2nc3ccccc3[nH]2)c2ccccc2)CC1 79486217 WKEBEAKMBGEUID-OAQYLSRUSA-N 391.519 2.600 0 40 GFAB COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1OC(C)=O 4026550 PVEAODUKPHUVRQ-NUJGCVRESA-N 379.478 2.566 0 40 GFAB biogenic Cc1cccc(NC(=O)CNC(=O)COC(=O)CCCOc2ccccc2)c1C 4318183 WAVQTVIEDAGYNA-UHFFFAOYSA-N 398.459 2.761 0 40 GFAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2s1 7242096 NFZPIDOLEHAZNK-JTQLQIEISA-N 390.490 2.691 0 40 GFAB CN1CCN(c2ncnc3cc(F)c(F)cc23)[C@@H](CNC(=O)OC(C)(C)C)C1 84240635 TZYOSZGEBNXQIO-LBPRGKRZSA-N 393.438 2.553 0 40 GFAB CC(C)C1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)CCS(=O)(=O)C1CCCC1 103614520 XCRVKKCGRHZEMY-GOSISDBHSA-N 390.505 2.978 0 40 GFAB O=C(OCc1ccccc1F)[C@H]1CSCN1S(=O)(=O)c1ccccc1 97124567 KVZXUJGNAFJWIF-MRXNPFEDSA-N 381.450 2.633 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 22537402 QPUCCVOWWQITOM-CQSZACIVSA-N 394.468 2.641 0 40 GFAB COc1ccc(C)cc1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 28208384 GYYUDFMYNUWONC-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB NC(=O)c1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1 61719809 MLKKEEPNWYYOKT-UHFFFAOYSA-N 398.422 2.801 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 24361990 YEMCGHUUHYFBSX-UHFFFAOYSA-N 388.449 2.540 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H](COc3cccc(OC)c3)[C@@H]3CC[C@@H]2C3)cn1 100112306 WRTFQXUTIKXDAQ-SPYBWZPUSA-N 391.493 2.532 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CC(F)(F)F)[C@H](C)C1CC1)C2=O 108825581 AYSZCDSNTXBHKG-JKDFXYPNSA-N 389.418 2.677 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)N(Cc1cccc2[nH]ccc12)C1CC1 57471648 LHXVGFAKAQVRSG-UHFFFAOYSA-N 388.431 2.714 0 40 GFAB CC(C)c1nnc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)s1 44369305 OBXCFJCNAVKXJK-UHFFFAOYSA-N 375.429 2.918 0 40 GFAB O[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cccc(F)c2F)C1 100754080 PBSMPXZSNOQVDN-ZRGWGRIASA-N 386.446 2.978 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1N1CCCC1 10009912 AKXPXBNZACJXAH-UHFFFAOYSA-N 379.526 2.601 0 40 GFAB Cc1cccc(-c2nc3ccccc3n2CC(=O)N2CCC(C(N)=O)CC2)c1 10381837 WTHKJQJDYMDPMF-UHFFFAOYSA-N 376.460 2.736 0 40 GFAB Cc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 36080512 FBIOHCPRVGREDM-VQTJNVASSA-N 390.549 2.840 0 40 GFAB CN(Cc1ccc(Br)s1)C(=O)c1ccccc1-n1cnnn1 69445718 JYUGZAONKCWUGP-UHFFFAOYSA-N 378.255 2.759 0 40 GFAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccccc3)C3=C2C(=O)OC3)c1 67288775 DJGUFJAUMXNTRA-HXUWFJFHSA-N 391.427 2.819 0 40 GFAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccccc1 20458906 SUMLTIRJZQEERM-APWZRJJASA-N 388.489 2.871 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 58417544 ZPWTZYKEUSWUEN-HZMBPMFUSA-N 378.837 2.851 0 40 GFAB CCN(CC)[C@@H](CNC(=O)NC1CCN(c2ncccn2)CC1)CC(C)C 45537899 HZOHEJLJNCATEO-GOSISDBHSA-N 376.549 2.501 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)c2ccccc2O1 12785017 BPNGAEHFZBNYFU-FQEVSTJZSA-N 390.443 2.643 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)no1 11423446 SMSUOJUABFEHNZ-UHFFFAOYSA-N 376.486 2.877 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4ccccc43)C2=O)cc1 3461013 OKORZLQUFZPBBB-WMZHIEFXSA-N 391.471 2.956 0 40 GFAB O=C1COc2ccc(C(=O)CSc3ccc(C(=O)N4CCCC4)cn3)cc2N1 12950341 GPIWHVPDFRJGEJ-UHFFFAOYSA-N 397.456 2.624 0 40 GFAB COc1ccc(CN(C)C(=O)CNC(=O)c2cccc(Cl)c2)cc1OC 13072930 OQCZMLCWRHVPCR-UHFFFAOYSA-N 376.840 2.746 0 40 GFAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 21025885 DUUKUCQCFOVHPV-UHFFFAOYSA-N 390.505 2.802 0 40 GFAB CCOC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 4135138 HSYXIEOTZUJZPZ-ZBFHGGJFSA-N 381.432 2.676 0 40 GFAB biogenic O=S(=O)(CCn1cnc2ccccc21)N1CCc2[nH]c3ccccc3c2C1 14099001 UZGVUMNTJQDDTK-UHFFFAOYSA-N 380.473 2.906 0 40 GFAB O=C(NNC(=S)Nc1ccccc1)C(O)(c1ccccc1)c1ccccc1 6644026 MPUDPKDNYHCXCC-UHFFFAOYSA-N 377.469 2.940 0 40 GFAB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O 8970296 WDFXRWOELWJQGT-AUUYWEPGSA-N 375.856 2.728 0 40 GFAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 15329802 CNBRGLCYWAHFIO-KRWDZBQOSA-N 384.263 2.773 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2CCC(c3nnc4ccccn34)CC2)c1 67442580 ZQWQTAGWGGFILP-UHFFFAOYSA-N 395.463 2.565 0 40 GFAB COCc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)sc2cccc(F)c12 9049324 JEPHROJXFRZOJQ-UHFFFAOYSA-N 376.453 2.881 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)C[C@@H](C)O1 15906085 VGDLFVMQUHPTEW-IYBDPMFKSA-N 394.537 2.889 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 16821385 WYSKYISSCKVOHS-LSDHHAIUSA-N 382.416 2.679 0 40 GFAB Cc1ccc(OCCNC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 72309637 PRANQROLMAJPBM-UHFFFAOYSA-N 389.477 2.636 0 40 GFAB Cc1ccc2nc(SCc3ccc(N4CCCC4=O)cc3)n(N)c(=O)c2c1 71768867 ZDMFUFPFJPRJCR-UHFFFAOYSA-N 380.473 2.838 0 40 GFAB COc1ccc2cc(/C=c3/s/c(=C/C(=O)C(C)(C)C)n(C)c3=O)ccc2c1 96759270 DOSXOVICDQECIY-QJJSIELFSA-N 381.497 2.833 0 40 GFAB COC(=O)c1coc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)c1 95444335 PRUNZNSAQASTRO-UHFFFAOYSA-N 387.826 2.972 0 40 GFAB O=C(O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 95456236 IEXBWZNGUJCOKE-YADHBBJMSA-N 396.531 2.941 0 40 GFAB CN(CCCNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 95964405 KCVTZEQURZXXJN-UHFFFAOYSA-N 381.476 2.835 0 40 GFAB O=C(c1cccs1)N1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306142808 XKMOHBGBVFTCFU-FQEVSTJZSA-N 378.457 2.554 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(OC)c1 36550907 AALVAOSULXSDMX-GQWLDOHISA-N 395.503 2.879 0 40 GFAB COc1ccccc1[C@@]1(O)CCC[C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]21 72340987 YYVYQVXDOZCAFN-JUXOCIIHSA-N 382.508 2.671 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1ccccc1CC)S(C)(=O)=O 30756725 LZYYIPJWMPEWJF-UHFFFAOYSA-N 390.505 2.730 0 40 GFAB COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)OCCCO3)C1 36741285 FQQOAKRNTCAAEB-CVDCTZTESA-N 399.487 2.874 0 40 GFAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@]1(OCCO)CCSC1 1565520124 GYDIYDLOSWNMDJ-INIZCTEOSA-N 377.428 2.639 0 40 GFAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 36700097 QBXXOVNUMLQWBE-NRFANRHFSA-N 382.460 2.999 0 40 GFAB CCn1c(=O)c2ccccc2n2c(COc3c(OC)cccc3OC)nnc12 31556766 SNQLQHZAHJYVGE-UHFFFAOYSA-N 380.404 2.660 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1OC 41152799 NYRMSSMQUSAHSS-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB Cn1c(=O)n2n(c1=O)[C@@H]1C(=C3[C@H]4CC[C@@H]5CC[C@H]([C@H]45)[C@@H]32)[C@H]2CC[C@@H]3CC[C@@H]1[C@@H]23 43761857 OQPJCJPJPNWQBN-XWHMXEKBSA-N 379.504 2.873 0 40 GFAB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 225053583 YXGQIKQHHFJNRD-UHFFFAOYSA-N 385.397 2.848 0 40 GFAB CCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 44845721 PRFZXIOFRPEJSV-UHFFFAOYSA-N 388.489 2.663 0 40 GFAB O=C(NCCCc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225492651 XGTWUWNZOMFGGA-UHFFFAOYSA-N 394.468 2.568 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 225875127 JZIRZTWAIQGVHQ-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB COc1ccc(CN2CCC(NC(=O)Cc3c(C)noc3C)CC2)cc1OC 96223854 PITWYTRBIIYROS-UHFFFAOYSA-N 387.480 2.632 0 40 GFAB COc1ccc(CN2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C)C[C@@H]32)cc1 96036287 ALVDPHUFJVGMLV-NZQKXSOJSA-N 385.552 2.707 0 40 GFAB COCc1n[nH]c(-c2ccc(NC(=O)CCCc3nnc4ccccn34)cc2)n1 96117399 QZLOFYHFUYSPIO-UHFFFAOYSA-N 391.435 2.622 0 40 GFAB Cc1ccc(CN2CCC3(CC2)CNS(=O)(=O)c2ccccc2OC3)o1 96037115 DBKALUOMVKUQAL-UHFFFAOYSA-N 376.478 2.541 0 40 GFAB CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 243266885 KWHWEKAADVSSCF-UHFFFAOYSA-N 397.294 2.929 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](Sc3n[nH]c(Cc4ccccc4)n3)C2=O)cc1 618254477 CHNOPAUDDLFYJQ-MRXNPFEDSA-N 394.456 2.828 0 40 GFAB CN1c2ccc(NC(=O)c3ccccc3Br)cc2N(C)S1(=O)=O 390826707 OSFLRDXJLNNXOA-UHFFFAOYSA-N 396.266 2.832 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(CO)cc2)[C@@H]1c1ccccc1OC 585168582 ZBZFIKWOGOXRPI-KNQAVFIVSA-N 396.487 2.804 0 40 GFAB O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 585101711 AOKZISPLNXBFRT-YJBOKZPZSA-N 383.414 2.960 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1 47032248 FUAVVHKVTLOXCQ-IBGZPJMESA-N 390.505 2.819 0 40 GFAB CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1 66610410 RHPDOZSNSUGEGM-OAQYLSRUSA-N 391.475 2.787 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@]2(c3ccccc3)c3ccccc3[C@H]1[n+]1ccccc12 5120980 DKMUFSBYSWBWDW-RCZVLFRGSA-N 398.438 2.868 0 40 GFAB CCOc1ccc(C(=O)NCCN2CCC(O)(c3cccc(F)c3)CC2)cc1 12290861 UIXKDULVWRUZLW-UHFFFAOYSA-N 386.467 2.938 0 40 GFAB COc1ccc(CN2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 19021808 PDGYQJLCGXUTSE-GOSISDBHSA-N 393.491 2.566 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 19311366 MNBAJZAVRRDJGK-UHFFFAOYSA-N 390.480 2.946 0 40 GFAB O=C(COc1ccccc1F)N1CCC(n2nc3c(cc2=O)CCCCC3)CC1 19350182 OAAVXLXZAPKXRZ-UHFFFAOYSA-N 399.466 2.894 0 40 GFAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 19448271 LPDRHVHJQOIAIF-LJQANCHMSA-N 398.482 2.582 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC)C1 19498980 JHRHLQGYPKXLPL-JOCHJYFZSA-N 384.451 2.789 0 40 GFAB CCOc1ncccc1C(=O)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 19531423 SOLISXUIGVGKKI-ZDUSSCGKSA-N 384.465 2.500 0 40 GFAB Cc1nn(C)cc1-c1csc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 19718076 ILQMLCQYTFWBLL-OAHLLOKOSA-N 395.488 2.839 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935659 XJKHQGWPHINSGN-UHFFFAOYSA-N 392.408 2.591 0 40 GFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCCCC1 7264571 ZJYPNOOCFALDDH-FMIVXFBMSA-N 392.521 2.560 0 40 GFAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1nnc2n1CCCCC2 29898335 MVQAQHCZNHJGEC-LLVKDONJSA-N 376.844 2.920 0 40 GFAB Brc1cnc(OC[C@@H]2CCCN(c3ncnc4c3CCC4)C2)nc1 1775995660 DCBMFVXBZHFZMY-GFCCVEGCSA-N 390.285 2.813 0 40 GFAB Cc1ncc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037988709 FUWMCGHYZDEWRQ-NRFANRHFSA-N 384.455 2.712 0 40 GFAB Cc1csc(C(=O)N2CCC[C@]3(CCCN(CC(=O)N4CCCC4)C3)C2)c1 2056224131 DTQIPGCFIYYEDA-NRFANRHFSA-N 389.565 2.997 0 40 GFAB Cc1csc(C(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)c1 1614940190 HXNNAPSLFKIRRK-GOSISDBHSA-N 375.519 2.681 0 40 GFAB CC1CCN(C(=O)CSc2nnc3nc(O)cc(-c4ccccc4)n23)CC1 4292315 QWEUNQRRRYBAMO-UHFFFAOYSA-N 383.477 2.848 0 40 GFAB COc1ccc(-n2nnc3c(=O)n(Cc4ccccc4Cl)cnc32)cc1OC 4341891 CKCCMCQCZGNVDO-UHFFFAOYSA-N 397.822 2.696 0 40 GFAB O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)NC[C@H]1CCCO1 9744125 ZXMVIBJNEJRXSK-GFCCVEGCSA-N 393.494 2.569 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCc2nn3ccc(N4CCCC4)nc3c2C1 2055713420 MUMTYVNAOHNTDJ-UHFFFAOYSA-N 382.855 2.576 0 40 GFAB CCc1nc2sc([C@@H](c3cccs3)N3CCN(CC)CC3)c(O)n2n1 22578162 KHFFLJGIIOONON-CQSZACIVSA-N 377.539 2.847 0 40 GFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)COc1ccccc1C 206795632 DHZJVAVIFNKQJG-WBVHZDCISA-N 387.407 2.734 0 40 GFAB O=C(Nc1ccc(N2CCN(c3ncnc4ccsc34)CC2)cn1)C1CC1 2298082624 GEYXBTMTBQUJKW-UHFFFAOYSA-N 380.477 2.761 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1 24983836 VAKYPXRBLYOKML-UHFFFAOYSA-N 383.433 2.844 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3nc4ccccc4s3)ccc21 30496567 GVKRCRIJMPFYJG-UHFFFAOYSA-N 387.486 2.684 0 40 GFAB C[C@]12CSCC(=O)N1[C@H](C(=O)NCCSCc1cccs1)CS2 40150356 YOXUWRNZAQRACV-WFASDCNBSA-N 388.605 2.505 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 40478531 MEZKIKPQALKAMS-UHFFFAOYSA-N 393.443 2.805 0 40 GFAB O=C(CN1CCc2ccccc2C1)N1CCC(C(=O)N2CCCCCC2)CC1 51113688 HLZOHZUXXUCWSA-UHFFFAOYSA-N 383.536 2.686 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 21470117 DBPBUQLZBQBRMM-AWEZNQCLSA-N 381.432 2.628 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 21555692 IXZIZISSQAWTAM-UHFFFAOYSA-N 390.871 2.808 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)cc1C 2640005 XOIPZINSIUZHCL-KRWDZBQOSA-N 386.492 2.972 0 40 GFAB aggregator COc1ccc([C@H](NC(=O)CCNC(=O)OC(C)(C)C)c2nccn2C)cc1 29987409 XGTFTVWSGXYCLE-KRWDZBQOSA-N 388.468 2.549 0 40 GFAB COc1cc(Br)c(NC(=O)NCCCc2n[nH]c(C)n2)cc1OC 79019615 GLQWELAWLRAOGX-UHFFFAOYSA-N 398.261 2.647 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1Cl 6286188 UQXLQYWQEMEJHY-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(OC)cc2OC)c1 6680362 DHKAZCJJOBFOIB-UHFFFAOYSA-N 384.479 2.658 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 7778344 NPBSSXPEICWBFX-YJBOKZPZSA-N 389.540 2.769 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)NC2CCCCC2)n1C 104989665 QOSKUKFKCGVTKB-UHFFFAOYSA-N 390.509 2.944 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2cccs2)n2nnnc2N3)cc1 10295638 YBWRUJSQGIEUMM-HNNXBMFYSA-N 379.405 2.601 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 10447884 RBYCFIPUDKCDAL-INIZCTEOSA-N 390.505 2.865 0 40 GFAB CCc1sc(-c2nnc(COC(=O)C3CCN(C(C)=O)CC3)o2)cc1C 8728489 YZRJVISGUFAUJN-UHFFFAOYSA-N 377.466 2.971 0 40 GFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 8941639 AYSZCDSNTXBHKG-NVGCLXPQSA-N 389.418 2.677 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 21094251 MPQAUPDDSSFMBQ-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB COC(=O)c1cccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 20007780 PGIRUCPDOWXACY-UHFFFAOYSA-N 377.356 2.568 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(F)cc2F)CC1 24626292 UTZIHAMAYBHVRO-UHFFFAOYSA-N 388.414 2.899 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(F)cc2)s1 24740525 YXGLYEKYCJHJCJ-OAHLLOKOSA-N 382.482 2.665 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1=O 25249511 NNXINGPKSLXKCI-MRXNPFEDSA-N 396.443 2.826 0 40 GFAB CCn1cc(C(=O)OCC(=O)Nc2ccccc2F)c(=O)c2ccc(C)nc21 3240229 VJANSYHPRXECQJ-UHFFFAOYSA-N 383.379 2.659 0 40 GFAB O=C(O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 103867531 OASJPWQLYVTQGY-DMAMZFHHSA-N 386.454 2.785 0 40 GFAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 26528958 CNWSOCXZUGDMHI-UHFFFAOYSA-N 377.846 2.992 0 40 GFAB O=C(NCCSCc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccco2)C1 57743452 VDLVIHTZGQNYQG-OAHLLOKOSA-N 376.453 2.817 0 40 GFAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2F)S(=O)(=O)N(C)C)c1 20244697 OFPSILABBBPOFB-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 3340583 RAIQALRJTFFHHI-OAQYLSRUSA-N 379.416 2.685 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)c2ccccc2)c1 45114626 UDLXDYQUUXPWDO-OAHLLOKOSA-N 375.494 2.934 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1 36397461 IFJXOTMFFKOTAB-UHFFFAOYSA-N 393.487 2.999 0 40 GFAB O=C(CCC(=O)N1CCOCC1)NCc1ccc(-c2ccc(Cl)cc2)o1 10812008 RZZSUOYNFRRMKL-UHFFFAOYSA-N 376.840 2.855 0 40 GFAB COCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC 12780281 XXNZDNSNZIYKLZ-UHFFFAOYSA-N 384.841 2.734 0 40 GFAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 12815166 PKHGEJSHNQMSES-KRWDZBQOSA-N 389.459 2.876 0 40 GFAB CC(C)(C)NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 3502696 CHFGRWVYPZJCLO-UHFFFAOYSA-N 388.518 2.846 0 40 GFAB O=C(CCNC(=O)c1ccsc1)Nc1ccccc1C(=O)NCC(F)(F)F 12925717 VORXJSKARNUIBX-UHFFFAOYSA-N 399.394 2.799 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2cc(C)ccc2OC)cc1 13196192 YEWNKBYJUGBLOQ-OAHLLOKOSA-N 379.434 2.507 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13997704 SZPWKYCGGSSANX-OAHLLOKOSA-N 386.423 2.666 0 40 GFAB COc1ccccc1CNC(=O)CSc1nnc(N2CCCC2)n1C1CC1 8726170 YFUFDADLTKCTQC-UHFFFAOYSA-N 387.509 2.630 0 40 GFAB CN(CC(=O)NCc1ccco1)C(=O)/C=C/c1cc(Br)ccc1F 14083894 FLZHFUJQMORXNZ-QPJJXVBHSA-N 395.228 2.969 0 40 GFAB O=C(C1=C(Cl)CCCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14085757 UQPCQEVZYWZGTL-UHFFFAOYSA-N 386.876 2.726 0 40 GFAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCO)cc1 5561255 CANDXNCXTNBGKD-QGZVFWFLSA-N 385.803 2.993 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(C(=O)c3ccsc3)C[C@@H]1C2 306135287 OMMRLKMMDONGTE-LSDHHAIUSA-N 393.472 2.536 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CC1=O 6784911 RFXGTTBHVYPJIK-INIZCTEOSA-N 395.459 2.523 0 40 GFAB COC(=O)C(=Cc1cc(Br)cc(Br)c1O)C(=O)OC 409044422 CTNLVAJDYCBIEH-UHFFFAOYSA-N 394.015 2.647 0 40 GFAB COc1ccc(OC)c(Cn2c(O)nc3c(-c4ccccn4)nsc3c2=O)c1 67350287 USDSQBXYLADRQA-UHFFFAOYSA-N 396.428 2.686 0 40 GFAB O=C(Nc1ccc(-c2nnco2)cc1)[C@H]1CCCN1C(=O)Cc1ccccc1 67478805 CXPCNBBXBNFGLM-GOSISDBHSA-N 376.416 2.909 0 40 GFAB CCn1c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1C1CC1 9155558 RGHJCOPIQAVMAD-NSHDSACASA-N 394.522 2.910 0 40 GFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 16094779 NCQICXPIXQZCHE-UHFFFAOYSA-N 389.429 2.549 0 40 GFAB Cc1nc2ccc(C(=O)O[C@H](C)C(=O)Nc3sccc3C(N)=O)cc2nc1C 7840560 IGDZUVCTHXFJDP-LLVKDONJSA-N 398.444 2.591 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 7957336 TXMLNOLHALXZDD-CZUORRHYSA-N 387.509 2.854 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)OCc2ccc(-n3cccn3)cc2)no1 16669249 XUEBLPQKZXXDNR-UHFFFAOYSA-N 386.433 2.584 0 40 GFAB CCCCN1C(=O)NC(=O)/C(=C(\CC)Nc2cc(OC)ccc2OC)C1=O 9245843 DQFNTQMEJKZOEU-SSZFMOIBSA-N 375.425 2.658 0 40 GFAB COCCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccnc1 97105433 LZLDGICXPJRZBQ-UHFFFAOYSA-N 393.871 2.839 0 40 GFAB CCOC(=O)C[C@H](c1ccc(OCC(C)C)cc1)c1oc(CO)cc(=O)c1O 72324720 RHFSGHVQZMXXEX-QGZVFWFLSA-N 390.432 2.958 0 40 GFAB biogenic Cc1ccc(OCCCCNC(=O)COC2CN(C(=O)OC(C)(C)C)C2)cc1 72311869 LJVCRSWXFIUBGY-UHFFFAOYSA-N 392.496 2.906 0 40 GFAB Cc1cc(=O)c(O)c(C(c2ccc3c(c2)OCO3)c2oc(C)cc(=O)c2O)o1 85879772 VXHUCYYEMKWKNP-UHFFFAOYSA-N 384.340 2.530 0 40 GFAB biogenic CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1cccs1 22069138 LJYIEVCNFPCJLT-QAPCUYQASA-N 375.450 2.622 0 40 GFAB COc1ccc([C@H](CC(=O)NCc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1547139264 SMGOEKUEVIVHHA-SFHVURJKSA-N 394.427 2.896 0 40 GFAB biogenic COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)c1 408625392 SLVBZXGGWZKJLB-LLVKDONJSA-N 398.868 2.663 0 40 GFAB Cc1ccc(NC(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1F 35598126 DCEMWLFBKVZMKF-UHFFFAOYSA-N 395.442 2.772 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 38629225 OFTMJUCQSPURTC-MRXNPFEDSA-N 395.550 2.924 0 40 GFAB CC(C)c1ccc(CN2C[C@H]3c4nnc(C(=O)NC5CC5)n4CC[C@H]3C2)cc1 306140558 UXELOJHQQSGGEJ-PKOBYXMFSA-N 379.508 2.913 0 40 GFAB COc1ccc(Cn2nccc2NC(=O)N2CCOC3(CCC3)C2)c(OC)c1 548650404 AHOGOWBHASDJOH-UHFFFAOYSA-N 386.452 2.735 0 40 GFAB Cc1cnn(-c2c(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)c(C)nn2C)c1 519250176 BSDFQKYEOZBMOQ-UHFFFAOYSA-N 377.448 2.616 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 34684073 MDSGHLNYESINKW-HSZRJFAPSA-N 393.531 2.913 0 40 GFAB CCN(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)cc1 39985218 VGFQNWASVXRLSZ-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1cc(CN[C@@H]2CCCC[C@@H]2C)c(Br)cc1OCC(N)=O 36612924 NPUKXFKRXBBWAV-SMDDNHRTSA-N 385.302 2.990 0 40 GFAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4)CC3)ccc21 36741190 HZCKGZDHGRZGHX-QHCPKHFHSA-N 379.504 2.841 0 40 GFAB COCc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)ccc2[nH]1 44893029 CBPBDJIRMQELHL-ZDUSSCGKSA-N 394.431 2.710 0 40 GFAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccc2ncsc2c1 225770711 PVUBQVBIGLYZCF-UHFFFAOYSA-N 385.420 2.586 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 229938565 TUCKQRDULDVKFJ-OZQHCQBDSA-N 396.418 2.598 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)c1ccccc1 226066247 AODDYVHNJUKSCN-UHFFFAOYSA-N 382.869 2.632 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nc(C)c(C)s1 40267092 BNKILEVXZOOPFT-IBGZPJMESA-N 384.461 2.697 0 40 GFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc(-c2cccnc2)on1 225753608 BBFOERVDTHOTRY-UHFFFAOYSA-N 378.436 2.736 0 40 GFAB CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)OCC)sc2C1 77196342 ZAMKYELKWCNNGF-UHFFFAOYSA-N 381.483 2.714 0 40 GFAB COc1cccc(CNC(=O)C(=O)Nc2ccc(Br)cc2F)c1 42645883 PGEACRYAAQBZER-UHFFFAOYSA-N 381.201 2.852 0 40 GFAB CC(C)OCCCNC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 223073531 QHGMZKHMLZTBLZ-UHFFFAOYSA-N 384.523 2.842 0 40 GFAB CCC(CC)C(=O)N1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225267 FKEOIEXFDAZVFA-OAQYLSRUSA-N 386.496 2.614 0 40 GFAB CCOc1cc([C@H](N)c2n[nH]c(CNc3cccc(OC)c3)n2)ccc1OC 95534406 JLTIUBRLVBNCQQ-IBGZPJMESA-N 383.452 2.881 0 40 GFAB COCCN(CCOC)C(=O)c1ccc2onc(-c3csc(C)n3)c2c1 96037870 CDFOSGBMCKQOPV-UHFFFAOYSA-N 375.450 2.995 0 40 GFAB Cc1cnn(CC(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccc(F)cc2)CO3)c1 257290166 QBVUMSSVKFSWFC-LJQANCHMSA-N 386.471 2.617 0 40 GFAB C[C@]12CCN(CC(N)=O)[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 257330764 XPVNZQKQGLLBNL-LPHOPBHVSA-N 397.441 2.926 0 40 GFAB Cc1nonc1CC(=O)N1CCO[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 257220516 DLCCYSVBWYNNRW-HXUWFJFHSA-N 396.422 2.646 0 40 GFAB COc1ccccc1N(CCCC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 250410573 YGSSGFJRPZTHHJ-JYJNAYRXSA-N 380.510 2.546 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)cc1Cl 260838523 SMZXMOVLDJUPIO-KPZWWZAWSA-N 392.864 2.896 0 40 GFAB Cc1c(C(=O)O)cnn1C1CCN(C(=O)CNc2ccccc2Cl)CC1 653672821 UTAOVGQHKZJSAQ-UHFFFAOYSA-N 376.844 2.819 0 40 GFAB Nc1nc(O)cc([C@@H]2CCN(Cc3ccc(OCc4ccccn4)cc3)C2)n1 630383621 VIZITFIGJDQZFX-MRXNPFEDSA-N 377.448 2.728 0 40 GFAB O=C(c1cccc(Br)c1)N1CCCSC[C@H]1CN1CCOCC1 90609064 OOPRQDWCBQBYTL-MRXNPFEDSA-N 399.354 2.729 0 40 GFAB O=C([C@@H]1CCCN(c2ncc(Br)cc2Cl)C1)N1CCOCC1 302740410 QHVBCKWTNLMRBJ-LLVKDONJSA-N 388.693 2.573 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 703721 GUDWLCMQQMODQI-VIFPVBQESA-N 382.301 2.617 0 40 GFAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccccn2)C3)c(OCC)n1 12089103 ZRQLLEXZCAPFMM-AQKKSAQBSA-N 398.507 2.789 0 40 GFAB Cn1ncc2c1CCc1sc(N(C[C@H]3CCCO3)C(=O)c3ccncc3)nc1-2 12146107 ULUCSNILRWIFEA-CQSZACIVSA-N 395.488 2.863 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(N2CCOCC2)nc1 14810108 BAYKNNHGIGQFIR-UHFFFAOYSA-N 389.839 2.524 0 40 GFAB COc1cc2nc(NN)n(-c3cccc(OC(F)(F)F)c3)c(=O)c2cc1OC 15424592 ZQEOCHNUUMDZSQ-UHFFFAOYSA-N 396.325 2.587 0 40 GFAB Cc1cccc([C@H]([C@H](C(=O)c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366166 ITRIZILBESUUJP-DHIUTWEWSA-N 394.515 2.952 0 40 GFAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)c2ccncc2)C[C@@H](C)O1 19497659 OIKJAEJUAXVTEB-DAYGRLMNSA-N 395.507 2.929 0 40 GFAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2S(=O)(=O)N1CCCC1 19589184 WBROGEJYPGVXJC-VAMGGRTRSA-N 377.554 2.669 0 40 GFAB Cc1ccccc1OC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 19660694 MIQXKNGXBRYCJS-UHFFFAOYSA-N 377.448 2.719 0 40 GFAB CCOc1ccccc1C(=O)N(C)Cc1nc([C@@H]2CCCNC2)cc(N(C)C)n1 19710011 SRCAUBWZQHMJCR-MRXNPFEDSA-N 397.523 2.681 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)N[C@H]4CCCC[C@@H]4C)ccc3c(=O)n2CC1 12187082 BQJHXMXWGROEFC-LPHOPBHVSA-N 396.535 2.972 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H]3CCCO3)C1)N2 19127583 VGJZTRFSESHAQA-LXTVHRRPSA-N 386.418 2.897 0 40 GFAB CCOc1ncccc1C(=O)N1C[C@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888875906 GESISFHJCVOCLL-HZPDHXFCSA-N 395.507 2.776 0 40 GFAB Cc1cc2oc(=O)cc(CN3CCc4cc(S(N)(=O)=O)ccc43)c2cc1C 27550345 OJBLXVMNLISTQU-UHFFFAOYSA-N 384.457 2.620 0 40 GFAB COc1cncc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037989073 UCIXJXXLCLUFNL-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 854148 FCIKRWIZHRTQND-UHFFFAOYSA-N 386.882 2.675 0 40 GFAB Cc1ccc(CNC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23127509 GCKXRTHBYPNJRY-UHFFFAOYSA-N 385.533 2.701 0 40 GFAB COc1ccc(NC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)c(OC)c1 35423849 ZCNMJXJRHRNKDX-UHFFFAOYSA-N 392.415 2.924 0 40 GFAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(Cn2ccnc2)cc1 38679651 WLNRMAOQEATURK-DLBZAZTESA-N 398.488 2.668 0 40 GFAB CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2n[nH]c(=O)c-2c1 42380711 OQMOFKIVLVIQSK-UHFFFAOYSA-N 399.882 2.620 0 40 GFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccnc1SC 206795853 WVZYUPWKESTACY-IUODEOHRSA-N 390.436 2.778 0 40 GFAB C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H](O)COc1ccccc1 40089113 SQWRISLHFDVJCU-DZGCQCFKSA-N 394.265 2.773 0 40 GFAB CCOC(=O)C(=CNc1ccccc1I)C(=O)OCC 100234400 HBYYKZHGTVOZGZ-UHFFFAOYSA-N 389.189 2.713 0 40 GFAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102234702 QYFXCDCMMOGUKW-HOSILWTGSA-N 392.883 2.554 0 40 GFAB COc1ccc(CCN(C)S(=O)(=O)c2cccc(C(C)=O)c2)cc1OC 2641522 DPCPYEBTHDETMS-UHFFFAOYSA-N 377.462 2.770 0 40 GFAB O=C(NCCSC1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 46454128 CXXKNAXLLKQTLS-CYBMUJFWSA-N 376.478 2.560 0 40 GFAB C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)c1ccc(F)cc1 32829057 ZRDNHJMVNDQYKS-CYBMUJFWSA-N 391.420 2.794 0 40 GFAB Cn1cc(O)c(=O)cc1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 79021585 HDGOZHYKGCBJIC-UHFFFAOYSA-N 389.864 2.727 0 40 GFAB C[C@H]1CN(CCCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H](C)O1 79108131 URVGPQAFBUQEJI-OKILXGFUSA-N 394.459 2.873 0 40 GFAB COc1cc(OC)c(C(=O)COC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 2644264 PICPWZXTJSASON-UHFFFAOYSA-N 390.388 2.769 0 40 GFAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2N2CCCN12 102707159 UYAIITJPYFAEPS-GUDVDZBRSA-N 397.862 2.884 0 40 GFAB COc1cccc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1 6811025 IIDDDFYSKGTXBT-INIZCTEOSA-N 377.437 2.664 0 40 GFAB Cn1c(=O)oc2cc(NC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)ccc21 102957629 ZZHYNHCRFLGSMA-KRWDZBQOSA-N 380.448 2.918 0 40 GFAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2ccccc2Cl)NC(=O)N3)cc1 12345543 WTEDNZCFFPFXLC-GOSISDBHSA-N 383.835 2.999 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4cccs4)CC3)C2=O)c(C)c1 22848421 ZDRVPFBCPQRBMF-LJQANCHMSA-N 383.517 2.815 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23731271 CXVWWUAYXOTRBD-HTAPYJJXSA-N 395.507 2.821 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1F 23738502 DEHSJYYTRLHDGC-UHFFFAOYSA-N 397.450 2.677 0 40 GFAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1Cl 24084291 JKDFLTHHWUXYOH-KRWDZBQOSA-N 380.897 2.692 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)c(F)c1 24217908 GIMDMAUZGZZISE-UHFFFAOYSA-N 378.407 2.934 0 40 GFAB Cc1noc(C)c1CSc1ncccc1C(=O)NCC(=O)NC(C)(C)C 21709041 GFHXITKWYKMPGK-UHFFFAOYSA-N 376.482 2.623 0 40 GFAB Cc1cc(C)cc(OCCN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c1 25047157 AQDJBWDRUFKYOD-UHFFFAOYSA-N 392.503 2.508 0 40 GFAB COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)cc1OC 1465253 AWYARSBVTRFLOZ-SFHVURJKSA-N 392.419 2.618 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)o1 44324680 VCZPVWXMKZMCJX-MLGOLLRUSA-N 383.491 2.627 0 40 GFAB C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 27688039 QLFBHGIDMWICHQ-NSHDSACASA-N 381.837 2.720 0 40 GFAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC[C@H]1c1ccc(O)cc1 58223259 ZQYGSXBKKMJFSG-FQEVSTJZSA-N 375.428 2.980 0 40 GFAB Cc1cc(NC(=O)CCNC(=O)Cc2ccccc2)n(Cc2ccccc2)n1 12748502 GKAYDVGWQLOABB-UHFFFAOYSA-N 376.460 2.927 0 40 GFAB Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619361 LXBJJUDWHMOCNG-UHFFFAOYSA-N 393.451 2.554 0 40 GFAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c(C)cc(C(C)(C)C)cc1C 11205102 VPLVOYQJKARZGC-SFHVURJKSA-N 394.581 2.726 0 40 GFAB CC(C)(C(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1)c1ccccc1 29372659 FCCAALAIRHOOAE-HXUWFJFHSA-N 378.472 2.639 0 40 GFAB O=C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 4029168 GMUYSWQSSRROPG-RTBURBONSA-N 396.443 2.600 0 40 GFAB biogenic,in-vitro CN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)N=C1S 4364878 ZYNMFTZXKHFAJF-SXGWCWSVSA-N 394.456 2.649 0 40 GFAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218943 AJFZVWUSUKTJKI-LJQANCHMSA-N 392.333 2.762 0 40 GFAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc(OC)c1OC 6755159 VFGDNZVLWFMRTQ-INIZCTEOSA-N 394.493 2.704 0 40 GFAB Cn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccco1 6846978 MUBUJVAUMPUZTO-MRXNPFEDSA-N 384.461 2.767 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H](c1ccccc1)c1cccs1 7287832 MOXFAFZGJUBFBN-KRWDZBQOSA-N 383.473 2.818 0 40 GFAB O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1nc2ccc(Cl)cc2s1 7921552 FJJIRDFSOJOKBU-VIFPVBQESA-N 376.912 2.809 0 40 GFAB CC(=O)N1C[C@@H](C(=O)NCc2ccccc2CN2CCCC2)Oc2ccccc21 8343158 IASVYDALQYBFNZ-QFIPXVFZSA-N 393.487 2.713 0 40 GFAB COc1ccc(C(=O)NCCNC(=O)c2cccs2)cc1Br 8401647 LOEMFXJYLPMMPY-UHFFFAOYSA-N 383.267 2.679 0 40 GFAB CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 9376832 KTGXVUOUUSLQCD-GASCZTMLSA-N 396.509 2.920 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 27471946 MNEVZXFCSVYVIH-OAHLLOKOSA-N 376.478 2.869 0 40 GFAB CC(C)OCCCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 9434965 ZHCLSRSSWVBFQH-GOSISDBHSA-N 390.867 2.857 0 40 GFAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 9418965 QMIDVXTWZINTMO-VXGBXAGGSA-N 375.313 2.544 0 40 GFAB Cc1cccc(C(=O)N2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)c1 306126138 DOAVFFREUNTLPH-HSZRJFAPSA-N 386.455 2.801 0 40 GFAB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCN2C(=O)CC[C@H]2C1 95451976 BXTJNKCGVLGTPN-AWEZNQCLSA-N 384.457 2.633 0 40 GFAB COc1ccc(CNC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)cc1 1548347887 CLTJMTOKUIHQNI-UHFFFAOYSA-N 394.471 2.907 0 40 GFAB COC(=O)Cn1ncc2c(N3CCCC[C@H]3CCc3ccccc3)ncnc21 89401001 HOHHSNHVVJIPKV-KRWDZBQOSA-N 379.464 2.991 0 40 GFAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)N3CCOCC3)n2)c1 64579576 YFGWDSOTEPWZIU-UHFFFAOYSA-N 379.416 2.950 0 40 GFAB CN1CCN(C(=O)NCc2csc(-c3ccccc3)n2)C[C@H]1c1nccn1C 548672359 OEOGAHMLIOSBFN-KRWDZBQOSA-N 396.520 2.742 0 40 GFAB COc1ccc(CN(C(=O)COC(=O)c2cc(C(C)=O)cn2C)C2CC2)cc1 32829261 BOXHKONZZMGYTH-UHFFFAOYSA-N 384.432 2.584 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)(C)O)C2 34406448 HXFDWGKUUFPMRG-MVMBAIFLSA-N 397.515 2.686 0 40 GFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)s1 56997652 QPDUXXJXLPEMAV-UHFFFAOYSA-N 399.969 2.810 0 40 GFAB CC[C@@H](C)CN(C)c1nnc([C@@]2(C)Oc3ccccc3NC2=O)n1CCOC 1523493655 CWRSAFZVHVYTJR-JLTOFOAXSA-N 387.484 2.653 0 40 GFAB Cc1cc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c(C)n1-c1cnccn1 529407566 APIHRKGEMQZEJJ-LJQANCHMSA-N 391.475 2.703 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)NCc2cc(OC)c(OC)c(OC)c2)c1 219305431 BIUBVBHBTDYQPT-ZDUSSCGKSA-N 375.421 2.805 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2cccc(I)c2)C1 48482611 KBXWDANGSICLBI-BETUJISGSA-N 386.277 2.999 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)C)CC2)cc1 226047733 ZGZCUVYXSLCJSC-UHFFFAOYSA-N 382.526 2.648 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476361 UTJGPKXNFFCNGY-CQSZACIVSA-N 380.452 2.949 0 40 GFAB O=C(NCc1ccncc1)c1nc(-c2cn(-c3ccccn3)cn2)n2ccccc12 96155068 AXHOORMHPYBDPJ-UHFFFAOYSA-N 395.426 2.907 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245230270 OMVZTPFBLLHGGN-WYADAEROSA-N 396.418 2.516 0 40 GFAB Cc1nn(C(F)F)c(C)c1Cc1nc(CS(=O)(=O)c2ccccc2)no1 585084312 GRRIHXOZEAANJR-UHFFFAOYSA-N 382.392 2.843 0 40 GFAB COc1ccc2nc(C(F)(F)F)nc(N3CCO[C@H](c4n[nH]c(C)n4)C3)c2c1 585083292 NLXWRTFESKNLGC-ZDUSSCGKSA-N 394.357 2.662 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H](c2nc(C)c(CC(N)=O)c(C)n2)C1 257277251 NXBOYIFSEKLGBF-MRXNPFEDSA-N 396.491 2.540 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(C)cc2)cc1 260808268 IJLRQCNOHHGUFF-OAHLLOKOSA-N 376.478 2.502 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(Oc2cnccn2)CC1 90678183 RIKCMOAEBXPYKO-UHFFFAOYSA-N 387.383 2.728 0 40 GFAB CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)c2cc(F)ccc21 585105616 BMLAVPKEDXXUQC-CQSZACIVSA-N 384.455 2.736 0 40 GFAB CC(=O)N1CCC(N2CCC3(CC2)C[C@@H](Cc2ccccc2)N(C(C)=O)C3)CC1 1615154963 LBFIGAXONRQNSZ-HSZRJFAPSA-N 397.563 2.943 0 40 GFAB Cn1c(N2CCC(C(=O)NCCc3ccc(O)cc3)CC2)nc2ccccc21 12116361 GLGSFZKRCOUEHM-UHFFFAOYSA-N 378.476 2.854 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(F)c(F)c1 12811456 RZGKOKLWRLGNPD-FQEVSTJZSA-N 385.370 2.902 0 40 GFAB O=C(CCCc1ccncc1)NCCc1cc2nc(-c3ccncc3)ccn2n1 13268202 MWJSVZXAQWKYCO-UHFFFAOYSA-N 386.459 2.868 0 40 GFAB CCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 13585073 OKQDAUQMZYWSME-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1 19367214 AKZILUGDNWFZAX-FQEVSTJZSA-N 380.496 2.829 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1 19698331 UNBAHOUGOQGNQJ-HXUWFJFHSA-N 399.564 2.813 0 40 GFAB CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)CCCc1ccc(F)cc1)CC2 19706470 CLSIHEFRTWHKKC-IBGZPJMESA-N 399.514 2.982 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nn1C 19709029 IUHHVWJEUXGJMK-CQSZACIVSA-N 396.944 2.703 0 40 GFAB COc1ccc([C@@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)C2CC2)cc1 19715264 JGFPDBSGJSSVBS-NRFANRHFSA-N 377.444 2.981 0 40 GFAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N1CCOCC1 19751858 RIGYKSJJSXJIEE-LJQANCHMSA-N 394.475 2.625 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(OC)c1OC 205726473 HMMPTJMDBUSLOQ-MDWZMJQESA-N 395.433 2.700 0 40 GFAB Cc1noc(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 3533567 NFXRIMOIWCWHFL-ZROIWOOFSA-N 389.408 2.897 0 40 GFAB C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 103504095 DWVIZDGTVPCQLM-CYBMUJFWSA-N 398.413 2.720 0 40 GFAB Cc1cc(C(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)sc1C 19124663 MTGPFIRWJMXGEW-UHFFFAOYSA-N 397.500 2.742 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238887838 QHBPPEMXHGMEON-IRXDYDNUSA-N 377.400 2.751 0 40 GFAB Cc1ncsc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841099 WEHFLSMHQFDIEJ-UHFFFAOYSA-N 389.452 2.629 0 40 GFAB Cc1ccc(N(C(=O)c2ccc3c(c2)OCO3)[C@@H]2C=CS(=O)(=O)C2)cc1C 4165409 LGDDNJXRKRHNGQ-QGZVFWFLSA-N 385.441 2.990 0 40 GFAB CCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCc2ccccc21 4304901 XOGPBPCZMMCWRB-UHFFFAOYSA-N 383.473 2.809 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940662 SXGXHBLRNWDOEI-UHFFFAOYSA-N 378.837 2.822 0 40 GFAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)/C=C/c1ccccc1 8954967 FJNQYPOPXUMPLD-GXDHUFHOSA-N 387.486 2.562 0 40 GFAB O=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1ccncc1 9001665 SIAIILGFTWEFGC-UHFFFAOYSA-N 396.809 2.842 0 40 GFAB Cc1csc(C(=O)N2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)c1 2055772981 FRICOFXPDXHKLW-SFHVURJKSA-N 377.535 2.878 0 40 GFAB CCOC(=O)c1cn(CC(=O)NCc2ccc(C)cc2)c2nc(C)ccc2c1=O 20986357 VSFGMEDDTHHOFN-UHFFFAOYSA-N 393.443 2.506 0 40 GFAB O=C(Nc1nccs1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 21000319 KPIRFHXEZONVHI-ZDUSSCGKSA-N 388.474 2.619 0 40 GFAB CC(C)Sc1ccc(CC(=O)N[C@H]2CCN(c3nccn4cnnc34)C2)cc1 575617926 XYSUEQKNAVVYLV-INIZCTEOSA-N 396.520 2.562 0 40 GFAB COc1cc(NC(=O)NCCNc2ccc(-n3cccc3)nn2)cc(OC)c1 77101374 QAYJQBJVWUDVOV-UHFFFAOYSA-N 382.424 2.518 0 40 GFAB Cc1cnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)s1 40283818 ZXRIGMVAAADNRH-IBGZPJMESA-N 384.461 2.778 0 40 GFAB COc1cc([C@@H]2CC(=O)NC3=NC(=O)N(c4ccccc4)[C@H]32)cc(OC)c1OC 100251080 BDBILAUCZYGTAO-KSSFIOAISA-N 395.415 2.723 0 40 GFAB Cn1cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccccc21 20745053 YJHJZZSLCUXFCO-UHFFFAOYSA-N 379.435 2.845 0 40 GFAB COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 20738994 GICOOEJPLHRPBO-IBGZPJMESA-N 388.508 2.728 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O 21023925 LMRSCZVHMGACPK-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC 8224150 BWIQRIMLDUOKHA-LLVKDONJSA-N 398.868 2.663 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC)cc2c1 879338 OXCMSZAPBPEDMZ-UHFFFAOYSA-N 382.489 2.828 0 40 GFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1sccc1C 32999597 QOWDWNLWIDFSKJ-UHFFFAOYSA-N 387.461 2.973 0 40 GFAB Cn1ccnc1CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1 32931889 ZUCJIDUVSJXQMM-UHFFFAOYSA-N 384.455 2.603 0 40 GFAB CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C 4374477 HEJNWTFCFQWECY-UHFFFAOYSA-N 397.460 2.944 0 40 GFAB Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)c1 4875902 RHNYWSBUKMQBPW-UHFFFAOYSA-N 397.475 2.718 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)nc2)ccc1C 6830408 AOVMWPKGNKUULR-UHFFFAOYSA-N 377.466 2.681 0 40 GFAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2s1 7242099 NFZPIDOLEHAZNK-SNVBAGLBSA-N 390.490 2.691 0 40 GFAB CCOC(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 54618296 ATVBOYQBVQZGIL-UHFFFAOYSA-N 375.400 2.714 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2c(C)n[nH]c2C)CC1 100750128 ZQTLZKFHDLAOKZ-SVMVAKDDSA-N 397.523 2.764 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1OC 8225331 KECSPJXKLQJEFL-GFCCVEGCSA-N 379.434 2.515 0 40 GFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)s1 8474585 SGDTVCFSYQZYQL-UHFFFAOYSA-N 390.465 2.754 0 40 GFAB CC(C)OCCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8493211 SRJXPMZCEKHCQD-UHFFFAOYSA-N 390.933 2.818 0 40 GFAB CC(=O)c1cccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 107935815 HOYYHQYRBRDAAD-UHFFFAOYSA-N 380.853 2.947 0 40 GFAB O=C(c1ccco1)N1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 22864265 DDQCNRZMRHPRRH-UHFFFAOYSA-N 392.394 2.510 0 40 GFAB COc1ccc2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3nc(C)cs3)cc2c1OC 12390043 WAAIEGILJGYNEX-JTQLQIEISA-N 388.449 2.707 0 40 GFAB CC(=O)OCc1c(OC(C)=O)ccc2c(COC(C)=O)c(OC(C)=O)ccc12 939117 NAWWNTNJHIVOEQ-UHFFFAOYSA-N 388.372 2.817 0 40 GFAB CC(C)n1nc(C(=O)Nc2nc3c(s2)CN(C)CC3)c2ccccc2c1=O 23408908 URSMFJIEPGBIBS-UHFFFAOYSA-N 383.477 2.674 0 40 GFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cccn2)cc1 23846204 WTHRJDJGFPIRTG-NRFANRHFSA-N 376.460 2.676 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 2207443 NKSSXJXWUJAZBM-UHFFFAOYSA-N 382.449 2.566 0 40 GFAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Br)cn3)o2)no1 2356921 ZNEFYVJSWIRSBW-UHFFFAOYSA-N 396.226 2.921 0 40 GFAB COc1ccc(CN(C(=O)/C=C/c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 2397709 WCIOTOHJMWCFHQ-VSRDTVRMSA-N 385.485 2.924 0 40 GFAB CCCCN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 12778671 UJLNFFRAYOBSSM-GOSISDBHSA-N 392.496 2.974 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)cc12 48340160 FXZDIMLCBSKFBZ-KRWDZBQOSA-N 391.431 2.536 0 40 GFAB Cc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)oc2ccc(Br)cc12 12852819 WDHUAUMUEZWYBC-LLVKDONJSA-N 386.267 2.763 0 40 GFAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 3430499 DSWDZMCNYWBTNF-JOCHJYFZSA-N 377.444 2.613 0 40 GFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(N2CCCC2=O)c1 13260063 NYWWOEJMVDUVBH-IBGZPJMESA-N 391.427 2.720 0 40 GFAB CCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc(C(N)=O)c1C 6047071 VKWHBOLARASJSB-UHFFFAOYSA-N 390.461 2.912 0 40 GFAB Cc1cc(C)n2c(SCC(=O)Nc3cc(C)nn3-c3ccccc3)nnc2n1 6172223 VRTJNKAZBAMRNX-UHFFFAOYSA-N 393.476 2.966 0 40 GFAB COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 6315263 WCZGYNSFVXMSAO-UHFFFAOYSA-N 385.825 2.929 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 14138864 JUFYIFQNMSKCSX-UHFFFAOYSA-N 379.507 2.961 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSCc1ccc(F)cc1)C2=O 14254632 VIHRAQHLHVCDPL-UHFFFAOYSA-N 379.457 2.591 0 40 GFAB COc1ccc(CCNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1OC(F)F 66194471 LFUSSQANNHMPRJ-OAHLLOKOSA-N 383.439 2.719 0 40 GFAB COc1ccccc1OCCNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 6786617 KCQGJKGAWBCKJV-UHFFFAOYSA-N 384.476 2.918 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2 6839675 PFEBNBLESOPQRS-RMKNXTFCSA-N 388.420 2.670 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCO 67300211 CHNVUVLRTPRRON-UHFFFAOYSA-N 381.407 2.531 0 40 GFAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc2c(c1)OCO2 7148667 DGPYYKWQIMQQFV-UHFFFAOYSA-N 387.193 2.714 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7445970 ZQGSGQMFRPGBCV-AWEZNQCLSA-N 390.461 2.671 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 7842679 OOJBYDDHOJBEKP-UHFFFAOYSA-N 388.489 2.634 0 40 GFAB C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1ccc2c(c1)OCO2 16295053 SRPBTGFWCHIUQV-GFCCVEGCSA-N 389.481 2.704 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 7986670 MYHFSSNEYDTWPC-INIZCTEOSA-N 383.473 2.884 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1 9060027 FIFTUAQMTWPTPT-INIZCTEOSA-N 385.445 2.860 0 40 GFAB COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 9113983 MFBLUJHUODQTCD-UHFFFAOYSA-N 390.461 2.513 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)N(C)C)cc1 19795891 UIPZIZLEJQOBHK-IFXJQAMLSA-N 387.505 2.632 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850185 YRQFIWISVXXJFW-CQSZACIVSA-N 384.910 2.871 0 40 GFAB CC[C@]1(C(=O)NCc2ccc(C(=O)NC)cc2)CCCN1C(=O)OC(C)(C)C 95459116 KDTOZIONJJBKQH-OAQYLSRUSA-N 389.496 2.842 0 40 GFAB O=C([C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CCN(c2cccnn2)CC1 95993175 CDBTXCLFKJBFRV-GOSISDBHSA-N 394.523 2.632 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 218566857 JZWLTCJZSATAHA-QRVBRYPASA-N 379.909 2.780 0 40 GFAB O=C(NC1CCCCC1)c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1 72328349 GLXSXHNZGUVKHN-UHFFFAOYSA-N 383.473 2.862 0 40 GFAB Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCc2ccccc2)CC1 507965460 VAKXWOQEAYXKQA-UHFFFAOYSA-N 379.483 2.910 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218503013 KAYIDUZEWTVDAI-QZTJIDSGSA-N 378.925 2.746 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 35596683 ONEAURHMTFRQAB-UHFFFAOYSA-N 382.855 2.618 0 40 GFAB CC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1 32870574 JQSOBCGNOJRQBU-UHFFFAOYSA-N 378.432 2.939 0 40 GFAB Cc1ccsc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 70635849 VLXNHNAZCVUQCW-LBPRGKRZSA-N 388.367 2.743 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCC3CCCCC3)s2)c1 225206200 LVDISCFOFIXYOV-UHFFFAOYSA-N 394.522 2.957 0 40 GFAB Cc1ccccc1-c1noc(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)n1 48235321 PLKBMTVVCXADAZ-UHFFFAOYSA-N 382.401 2.598 0 40 GFAB CCSc1ncc(Cl)c(C(=O)NCCC(=O)NCc2ccc(C)cc2)n1 41156188 BSAUIHKJAZJXLP-UHFFFAOYSA-N 392.912 2.987 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)ccc1Cl 223827379 VGSHIWZHAWITIO-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB COCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccccc1 40396378 ZIIBZYDKOWAREK-UHFFFAOYSA-N 378.432 2.585 0 40 GFAB Cc1cc(S(=O)(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)sc1C(=O)O 572373443 NASPXFFPHTZMLJ-LBPRGKRZSA-N 380.447 2.507 0 40 GFAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(C)c1 44884456 DYYWIHMLZDWTHY-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB CC(C)CNC(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 96053551 ZDRSEPIXSVDUFL-INIZCTEOSA-N 394.537 2.509 0 40 GFAB CC(C)(C)OC(=O)NCc1nc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 98212984 DOCZMULZJVFZFP-ZDUSSCGKSA-N 390.415 2.750 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)cc1F 96238135 VVARUAIFNKWOOM-FQEVSTJZSA-N 387.480 2.759 0 40 GFAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 96182416 GMCSBRPFHAIXSM-UNMCSNQZSA-N 377.488 2.863 0 40 GFAB Cc1ccc2nc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)sc2c1 96344808 XOOCNSMSXSWPCE-CQSZACIVSA-N 380.429 2.684 0 40 GFAB CC[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(OC)cc1 253375492 PYVVQIMJFZIKET-UHBFJLORSA-N 384.476 2.684 0 40 GFAB CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc1C 257343796 ZULRUFYEOZQQKT-QGZVFWFLSA-N 398.482 2.931 0 40 GFAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3ncc(C)s3)CC[C@H]21 257304367 SLHSWPZZNBCQKQ-GUDVDZBRSA-N 398.532 2.726 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 260790539 GNKFIAQDENTGRQ-OAHLLOKOSA-N 380.510 2.856 0 40 GFAB COc1cccc(-c2cc(C(=O)N3CC(c4nc(-c5ccco5)no4)C3)[nH]n2)c1 90567350 CCPBVUZSADUBEF-UHFFFAOYSA-N 391.387 2.968 0 40 GFAB COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cc(=O)c(OC)c[nH]1 604419700 SPGMZAKDBLUKOR-UHFFFAOYSA-N 399.447 2.661 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)N3CCN(c4cccc(F)c4)CC3)cc2NC1=O 639485826 FUJZHLNUXLQXLQ-CYBMUJFWSA-N 384.411 2.899 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)c1 96025543 VVBIBQHJRBQKJA-INIZCTEOSA-N 379.503 2.622 0 40 GFAB O=C(c1cc[nH]c1)N1Cc2ncn(CC3CC3)c2[C@@H](COCc2cccnc2)C1 585110780 GBQNPOXJUGUOQJ-LJQANCHMSA-N 391.475 2.973 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCc3ccccc32)cc1 55391919 IHOFUPVIIMIATP-IBGZPJMESA-N 385.489 2.743 0 40 GFAB O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1 96121566 VROUZZZZQJZRBH-UHFFFAOYSA-N 379.429 2.821 0 40 GFAB CC1(C(=O)O)CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 646154289 GTUKXGRDIKJRGQ-LBPRGKRZSA-N 383.851 2.954 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12997125 OQVTUGLGPPWOLU-IBGZPJMESA-N 379.460 2.972 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)NC(C)C 13678158 KTDRTSOFCALWTH-UHFFFAOYSA-N 390.461 2.837 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1OC 14291940 XSQSRFZWQJCMSA-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1 15566473 WVNXJWMIVZYGAO-FQEVSTJZSA-N 398.459 2.806 0 40 GFAB CN1C(=O)[C@]2(N=C(N)NC(N(c3ccccc3)c3ccccc3)=N2)c2ccccc21 17081010 PZDWJYKZVVGZAX-QHCPKHFHSA-N 396.454 2.928 0 40 GFAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1 19118558 BRBYWJNOJWDYEB-UHFFFAOYSA-N 397.479 2.507 0 40 GFAB COc1ccc(CN2CCC(CNC(=O)[C@@H](C)Cn3nccc3C)CC2)cc1 19238342 ZEPQZWPFZFKNMC-KRWDZBQOSA-N 384.524 2.865 0 40 GFAB O=c1oc(-c2cccs2)nn1CC1(O)CCN(C[C@H]2CC=CCC2)CC1 19344751 TXIKIZCNRBYIDR-HNNXBMFYSA-N 375.494 2.748 0 40 GFAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)N2CCOCC2)n1 19573631 VVWBYUHHYOHWED-KXBFYZLASA-N 390.915 2.732 0 40 GFAB COCCNc1nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)cc2ncccc12 19593596 MFEOGXGPQRJURX-KRWDZBQOSA-N 398.507 2.821 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 19886488 WDZGBIJPHQVDJT-UHFFFAOYSA-N 389.477 2.839 0 40 GFAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)c1 226323230 JNMVPQQWURFQIG-VOTSOKGWSA-N 386.429 2.928 0 40 GFAB CN1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 30030302 AESJZYHNMMIDSZ-GOSISDBHSA-N 392.908 2.629 0 40 GFAB C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 1903847855 QJPCKAJTLHDNCS-VPKLCVPRSA-N 390.520 2.719 0 40 GFAB O=C(c1cncc(F)c1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995732 GQPMPKPMAHXWHB-NSHDSACASA-N 395.232 2.704 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)cc3c2N1CC3 4850486 ZYFBYGOLOXVSAR-UHFFFAOYSA-N 376.865 2.654 0 40 GFAB CCCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(-n2nc(C)cc2C)n1 5254819 VKZDHHHITKYYLA-UHFFFAOYSA-N 383.427 2.776 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 12180492 YAWRARBEBPVNGB-UHFFFAOYSA-N 398.481 2.729 0 40 GFAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)c1ccccc1 12440015 CFWDFSCWKLXCCL-GFCCVEGCSA-N 382.445 2.504 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38730855 HPBDWIULCCMYES-ZIAGYGMSSA-N 398.513 2.841 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc(F)cc1 40001119 CYNRRVLHKJHGBY-ZWKOTPCHSA-N 379.391 2.547 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc1 20488687 RFABHGGJMSWSAA-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB CN1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 101892678 UADNERSBNOYBDX-UHFFFAOYSA-N 377.423 2.915 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1=O 46242000 YEXNWLYKWDINEJ-CYBMUJFWSA-N 385.851 2.993 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 37171460 AULJKDUUQXUJCQ-ZDUSSCGKSA-N 379.482 2.607 0 40 GFAB CCC(=O)N(CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C(N)=O 1368370 OHQOQWRVWCSUGE-UHFFFAOYSA-N 387.505 2.884 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC23CCCCC3)cc1 79017769 DBBVDEINDSZBQC-UHFFFAOYSA-N 379.526 2.674 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 6880415 HAENQWPHCLFBQZ-UHFFFAOYSA-N 396.896 2.724 0 40 GFAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cncc(Br)c2)c(F)c1 7123038 XDHBRCYLSYNOTF-UHFFFAOYSA-N 395.184 2.981 0 40 GFAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 8156610 BBNRVJSTUMJWKG-INIZCTEOSA-N 381.404 2.897 0 40 GFAB C[C@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 104231771 WJAKSJFBGSGLSM-HZPDHXFCSA-N 394.475 2.709 0 40 GFAB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 823625 VUXAJQHDCVARTD-LJQANCHMSA-N 380.400 2.829 0 40 GFAB COc1nc(N(C)S(=O)(=O)c2ccc(C)cc2)nc(C)c1Br 849620 XEXNRDFXFZHUBM-UHFFFAOYSA-N 386.271 2.690 0 40 GFAB COc1ccc(CNC(=O)[C@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)cc1 819353 FOMWWQUFSSAKIR-FQEVSTJZSA-N 394.402 2.736 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)cc1 23076471 ZSLFKJPIWPGUOS-UHFFFAOYSA-N 398.488 2.812 0 40 GFAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCCCC1 23132571 LAIFJCHDVGKTHL-UHFFFAOYSA-N 390.549 2.979 0 40 GFAB C[C@@H](C(=O)Nc1nccs1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 54216097 CSAKFSFEBMKTRE-NSHDSACASA-N 393.900 2.869 0 40 GFAB Cc1cccn2c(=O)cc(CN3CCN(C(=O)c4ccccc4Cl)CC3)nc12 23653508 OKUMYTZFLCBMNQ-UHFFFAOYSA-N 396.878 2.614 0 40 GFAB CN1CCC(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 105093682 ZZNOOAYTDUMOTA-UHFFFAOYSA-N 378.948 2.945 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1nc3ccccc3[nH]1)C2=O 23731087 SLNSZUUIYAKCQA-FHDQPZTMSA-N 397.479 2.631 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc2ccccc12 61720663 UAAODKSBSVAPBC-UHFFFAOYSA-N 389.459 2.705 0 40 GFAB CCc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cs1 24600334 PFSDDQWPEUKLSO-UHFFFAOYSA-N 391.562 2.701 0 40 GFAB COc1ccnc(N2CCC(C(=O)Nc3nc(-c4ccccn4)cs3)CC2)n1 24670013 FLZNUJGRUAFNKT-UHFFFAOYSA-N 396.476 2.859 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc2c(c1)OCCCO2 25029920 JPTGACNJCHTYIE-OWQGQXMQSA-N 391.493 2.512 0 40 GFAB biogenic CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 23054526 WJCKKDKAOFLCNA-UHFFFAOYSA-N 399.422 2.894 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCc4ccccc4C3)CC2)cc1 57378770 FRRDIAKWOQILDY-UHFFFAOYSA-N 377.488 2.596 0 40 GFAB C[C@H]1CCCCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 57663415 UARTYJVTNJGXPL-NSHDSACASA-N 379.254 2.836 0 40 GFAB CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCC(=O)O)ccc12 2153141 ZZYQVDPDIJIGIT-ZDUSSCGKSA-N 375.421 2.884 0 40 GFAB biogenic O=C1CCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)CCN1 12688104 NYLRMYKSCZWNQL-UHFFFAOYSA-N 379.489 2.958 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(Cl)c2)n(C)c1=O 10104694 GOFKWWOLRHYCJC-UHFFFAOYSA-N 387.871 2.810 0 40 GFAB CCCN1CC[C@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 58405793 KXLGBVOKFDRBQU-CVEARBPZSA-N 380.483 2.822 0 40 GFAB COc1cccc(Cn2cc(NC(=O)c3cc(C)nc4c3cnn4C)cn2)c1 36615882 JLTVNDKCYVXTNJ-UHFFFAOYSA-N 376.420 2.782 0 40 GFAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)c1 12769529 MBLYULCXZGUQOR-JOCHJYFZSA-N 395.459 2.904 0 40 GFAB CC[C@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1cc(C)on1 12948921 PSQLABQMPBZAJI-OCCSQVGLSA-N 375.356 2.508 0 40 GFAB O=C(NCCCOCC1CC1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13006403 NLQDUKGOIAIGMV-CQSZACIVSA-N 395.297 2.735 0 40 GFAB CCOc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 8705167 JXALZUIIDUWNIB-UHFFFAOYSA-N 398.459 2.884 0 40 GFAB C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)c1ccc(OC(F)F)cc1 63945715 YRSOJCRTSPLMMI-MRVPVSSYSA-N 377.390 2.915 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1C 20801249 LLOGGXDSZYYIBL-VQTJNVASSA-N 391.471 2.760 0 40 GFAB Cc1cc(=O)oc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 14084036 DCMOWCUDFSPCOC-UHFFFAOYSA-N 390.461 2.684 0 40 GFAB CCNC(=O)NC(=O)[C@H](OC(=O)c1ccc(Cl)c(N)c1)c1ccccc1 6422276 ZQBCJDVQUBQDDO-OAHLLOKOSA-N 375.812 2.666 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 14190573 JMCHSFGVBUFLRG-VYBOSXCSSA-N 395.503 2.931 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)NC(=O)Cc1ccccc1 14124527 GQKVCAWTXBKDFN-UHFFFAOYSA-N 393.472 2.653 0 40 GFAB COc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1 71283902 PBJIBJFBIOXFKP-HIFRSBDPSA-N 375.450 2.683 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9248727 YTLGITFDBGHOCI-GFCCVEGCSA-N 392.843 2.534 0 40 GFAB COc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)/C=C/c2ccccc2)cc1 7738123 CQACIXJTHIZULA-BUHFOSPRSA-N 386.473 2.781 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8379762 CDOVKDWUBMHAQX-UHFFFAOYSA-N 396.871 2.555 0 40 GFAB COc1ccccc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 408614235 ABGALPRNBIHPBE-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB COc1ccc(-c2nc(NC(=O)[C@H]3CCS(=O)(=O)C3)sc2C)cc1OC 71845426 MBNAQJICMGOQAL-LBPRGKRZSA-N 396.490 2.509 0 40 GFAB C[C@@]1(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1(Cl)Cl 84673273 VDGYJUIDUWIJAM-HOCLYGCPSA-N 375.271 2.899 0 40 GFAB Cc1noc(-c2ccc(C(=O)N3CCC4(CC3)C[C@@H]4C(=O)N3CCCC3)cc2)n1 95458870 FAEBAXCIYIPWTL-GOSISDBHSA-N 394.475 2.910 0 40 GFAB Cc1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300217 IXJGOFVOKOEKNT-UHFFFAOYSA-N 377.444 2.701 0 40 GFAB COC(=O)c1ccccc1CCC(=O)Nc1ccn(CCc2ccccn2)n1 89406984 ZEIDNJQHZGITNI-UHFFFAOYSA-N 378.432 2.879 0 40 GFAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 20258804 YMULMJJWEOPRRX-UHFFFAOYSA-N 390.417 2.537 0 40 GFAB Cc1nnnn1-c1ccc(C(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)c(F)c1 556335339 SINBYMMUJDRAMH-NRFANRHFSA-N 393.422 2.720 0 40 GFAB CN1CCN(Cc2nccs2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 306134193 NFMBRTHALIQDIK-SFHVURJKSA-N 391.504 2.737 0 40 GFAB O=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 56997632 ADOUVUFRAFFFGO-UHFFFAOYSA-N 397.903 2.580 0 40 GFAB COc1ccccc1N1CCN(CCNC(=O)c2c(F)cccc2F)CC1 56997304 CBSQHEFOZVOSBG-UHFFFAOYSA-N 375.419 2.525 0 40 GFAB C[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1 35456107 VIHRKOVEWCGJQP-WUDMRHBMSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cccnc1 72191547 LBWNFXLHPJRAQX-UHFFFAOYSA-N 383.433 2.789 0 40 GFAB COC(=O)C1CCN(C(=O)COc2cc(C)c(Br)c(C)c2)CC1 218842155 ZLLRROWGLPRQLS-UHFFFAOYSA-N 384.270 2.856 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636554 PNIFTKCUJFLWKJ-QGZVFWFLSA-N 398.406 2.913 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2ccc(Cl)cc2)c(C)c1 36106042 LKRLRBQSTGHGGK-UHFFFAOYSA-N 380.897 2.860 0 40 GFAB O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 70904032 ISVIUAWCULYILW-UHFFFAOYSA-N 393.896 2.566 0 40 GFAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 31813704 GRXXRSITXBQERC-INIZCTEOSA-N 377.404 2.784 0 40 GFAB Cc1ccc(SCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225672619 NPHGVMOSFLEOHR-UHFFFAOYSA-N 394.543 2.979 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nnc(-c3ccccc3OC)o2)cc1C 41136766 PSHXPTDKBHQYDH-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC2CCCCCC2)cc1 225088713 KFNLEBBZCDYNEE-UHFFFAOYSA-N 378.494 2.979 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)ccc1OC 44901484 LETQRPOPPCPDFH-CQSZACIVSA-N 376.478 2.793 0 40 GFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223349759 CSNUDXYFBHFSCK-SNVBAGLBSA-N 378.837 2.925 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CC(c2nc(-c3cccs3)no2)C1 49483840 RCHTVNDALNCWLO-UHFFFAOYSA-N 383.401 2.864 0 40 GFAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2nnc(N)s2)cc1 222641159 JHFLKAJVTCMKFD-UHFFFAOYSA-N 388.518 2.862 0 40 GFAB Cn1cc(-c2n[nH]cc2C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cn1 570677065 RPKSWKQIJYFTNT-UHFFFAOYSA-N 389.463 2.781 0 40 GFAB CN(C)CCNC(=O)c1c2c(NCc3ccccc3)ncnc2n2ccccc12 96264370 QRJLLPKUUKTHBJ-UHFFFAOYSA-N 388.475 2.786 0 40 GFAB Cc1ncc(CN(C)CCO)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95474627 YUVFAZAFZBBGMC-UHFFFAOYSA-N 382.416 2.563 0 40 GFAB CCc1ccc(N2C(=O)CN(Cc3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 96355815 YYRSFUNBJQJOCS-LEWJYISDSA-N 398.528 2.572 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2ccco2)Oc2ccccc21 247475326 GXWPVYLBYOLOKN-HIMJEHTPSA-N 380.444 2.893 0 40 GFAB CCc1noc([C@@]2(O)CCN(Cc3ccc(OCc4c(C)noc4C)cc3)C2)n1 585084577 CRFKIIINXHKWMK-OAQYLSRUSA-N 398.463 2.909 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](Cc3cnc(-c4c(C)noc4C)cn3)C2)cn1 257222216 DSKRJHXJJGYJEE-HNNXBMFYSA-N 378.436 2.552 0 40 GFAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)cn1 257281274 OOJVYKTUFCCRLK-SHTZXODSSA-N 378.436 2.934 0 40 GFAB COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCNC(C)=O)CCCO2)c1 257251539 JRDXNYIWCJIXDL-QHCPKHFHSA-N 396.487 2.706 0 40 GFAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]1CCc2cc(F)ccc21 668021077 ZCOYEHRGTRUQID-KZULUSFZSA-N 376.453 2.723 0 40 GFAB C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H]2CCCO2)CCO1 670294381 PWBIHOABPYRIEZ-HZPDHXFCSA-N 381.480 2.841 0 40 GFAB CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1Cc1cnc(-c2cccc3ccccc23)nc1 67696055 KXRMAISNEJWJTR-NQIIRXRSSA-N 389.503 2.723 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)c1 90607952 MZERZACHQPNLTI-UHFFFAOYSA-N 398.492 2.622 0 40 GFAB CCO[C@H](CC)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)CCCCC1 1615612011 ULBYKASDYJKFID-IPMKNSEASA-N 387.524 2.936 0 40 GFAB O=C(Cc1ccc(O)c(F)c1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111113 DZIQNOUVWCOLJB-HXUWFJFHSA-N 395.434 2.749 0 40 GFAB Cc1ccc(CN2CCSCC2)cc1NC(=O)CNC(=O)Cc1ccccc1 62580254 UFLDSUKVRKCWLB-UHFFFAOYSA-N 397.544 2.841 0 40 GFAB CC(C)(C)c1cc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)[nH]n1 72326875 SNXIKTKBJPRQCC-OXDBHQQFSA-N 393.491 2.741 0 40 GFAB Cn1ncc2c1CCc1sc(N(C[C@H]3CCCO3)C(=O)c3cccnc3)nc1-2 12146105 CPZJWOUNXSMVIP-CQSZACIVSA-N 395.488 2.863 0 40 GFAB Cc1cc(-c2cnc(N3CCN(c4ncccn4)CC3)nc2-c2ccoc2)on1 12252386 YKYGSNPQSKUBTI-UHFFFAOYSA-N 389.419 2.817 0 40 GFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 13100778 MAKACHCUTMMGQU-AWEZNQCLSA-N 383.901 2.715 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(S(=O)(=O)c2ccccc2)cc1 13712762 NQTONIPXSJDBHR-BZUPMSHVSA-N 379.437 2.831 0 40 GFAB CCc1cccc(C)c1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14397094 BIDQNOCXZYMAHZ-UHFFFAOYSA-N 390.505 2.966 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCCn1nc([C@H]2CCNC2)c2cccnc21 19559107 XREMMDQFRWQFQY-ZDUSSCGKSA-N 399.882 2.600 0 40 GFAB O=C(CN1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1)Nc1nccs1 19693229 XXCHGBNCTIMVBK-OAHLLOKOSA-N 399.451 2.751 0 40 GFAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)C12CC3CC(CC(C3)C1)C2 11665928 KYHKCQBEWJZVLM-UHFFFAOYSA-N 394.523 2.759 0 40 GFAB COc1ccc([C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2c2ccnc(C)n2)cc1OC 12088178 JAJKLVRDZWAFKI-JKSUJKDBSA-N 393.447 2.549 0 40 GFAB COc1ccc(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)cc1F 238958798 YGBFANASDPMRMD-UHFFFAOYSA-N 384.455 2.902 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@@H]1C)CC1(CCN(C)CC1)O2 19218531 ICLWSZZFLYMMMF-SFHVURJKSA-N 399.535 2.695 0 40 GFAB CCCn1nc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)ccc1=O 32525975 ZAFRUOLZNGULCA-UHFFFAOYSA-N 379.464 2.728 0 40 GFAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1cc(=O)c2ccccc2o1 238895483 QZPAVEZQMMGLAQ-UHFFFAOYSA-N 378.344 2.638 0 40 GFAB Cc1cncc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c1 2037985055 WIYXNBXIEXVFJG-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB CC(C)c1ncnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)c1F 2087126137 GDIKPCFJYUJOTJ-UHFFFAOYSA-N 386.475 2.750 0 40 GFAB CCC(CC)C(=O)NCCn1ncc2c(N3CCCC3)nc(SC)nc21 8946348 LDLLKEHUHHHIIL-UHFFFAOYSA-N 376.530 2.701 0 40 GFAB CNC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccc(C)cc1 10218597 KMZWRFVBGYXKCG-UHFFFAOYSA-N 380.491 2.609 0 40 GFAB Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)c1C 12422945 QTEZCLAKTWHEAH-UHFFFAOYSA-N 382.445 2.882 0 40 GFAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cscn2)CC1 2055738983 FRRFCTVNSKTGGO-UHFFFAOYSA-N 390.484 2.894 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966339 YZFFPULQQZEFOZ-UHFFFAOYSA-N 383.305 2.515 0 40 GFAB O=S(=O)(Cc1ccccc1F)NCc1nnc2cc(C(F)(F)F)ccn12 225808228 MFDAAXCTHZPKQN-UHFFFAOYSA-N 388.346 2.507 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)c1 575619077 LSWUXUMEESOMES-NRFANRHFSA-N 395.484 2.959 0 40 GFAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3cc(C)on3)s2)o1 43939666 VVQOQKVTFTZIQB-UHFFFAOYSA-N 380.407 2.759 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccccc21 30938473 JSCXCAWGVHEGFK-MRXNPFEDSA-N 382.388 2.521 0 40 GFAB COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCC1 2622876 LRMBZJMZRVRQRU-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1 1357522 TXESDJWAGOZYAR-UHFFFAOYSA-N 375.479 2.531 0 40 GFAB COC(=O)c1c(NC(=O)C(=O)NCc2ccc(F)cc2)sc2c1CCCC2 2733732 GFSXSXDGAVCVHB-UHFFFAOYSA-N 390.436 2.808 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)N1CCCC1 33028214 RLWLGKXRQRMDJF-DYESRHJHSA-N 382.460 2.788 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)N2CCC[C@H](C)C2)n1C 4161312 GGQVMBHUEHUBMZ-AWEZNQCLSA-N 390.509 2.753 0 40 GFAB Cc1cc(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1C 4327698 WXMFXWXFBYWUJN-UHFFFAOYSA-N 386.492 2.700 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)CC(C)(C)C)CS(=O)(=O)C3)cc1 4341945 HCWVFJGFKNZYMY-UHFFFAOYSA-N 377.466 2.684 0 40 GFAB COc1ccc(N([C@H](C)C(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1 8224107 ZNDFODFVGCLWGT-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CC(C)c1ccc(NC(=O)C[C@@H]2N=C(NC(=N)Nc3ccccc3)NC2=O)cc1 12322705 ODFUJRAWWKYNLB-KRWDZBQOSA-N 392.463 2.629 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 782959 BDXIRSVXXHNUPX-UHFFFAOYSA-N 388.851 2.712 0 40 GFAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1cc(F)cc(F)c1 51316914 XFOSMSURYKGUNK-UHFFFAOYSA-N 399.332 2.614 0 40 GFAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(Cc2ccccc2F)CC1 22810847 AISVUSQREAJGOS-INIZCTEOSA-N 375.513 2.752 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 23113643 WGEHWOFMODDOAV-UHFFFAOYSA-N 376.459 2.777 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 23271788 ZLMZPUNRKSXSQX-UHFFFAOYSA-N 381.835 2.692 0 40 GFAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)ccc1O 909773 NLLIBKHYPBNJCN-QGZVFWFLSA-N 389.358 2.946 0 40 GFAB Cc1cccc(N2CCN(C(=O)CCNC(=O)NCc3ccccc3)CC2)c1 12523098 KSHBXRHRQUZCRN-UHFFFAOYSA-N 380.492 2.533 0 40 GFAB COc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(OC)c1OC 3247509 WJBZJRQLNAUXHJ-ZDUSSCGKSA-N 385.416 2.847 0 40 GFAB Cc1ccccc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 24651197 QVYNKHPOLBYAOM-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)n1 101640410 OIRZTNKTCIEEQT-IYBDPMFKSA-N 392.459 2.838 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1C 12631033 MJZNUOQKVHGFGQ-CYBMUJFWSA-N 391.445 2.803 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncccc2OC(C)C)cc1 58014468 MCQKLMLISVWWIO-UHFFFAOYSA-N 377.466 2.808 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 48264097 FEDUUUKRQWVIOT-INIZCTEOSA-N 394.475 2.742 0 40 GFAB CN1C(=O)c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2C1=O 58158807 COEHDFRSSWTWEB-INIZCTEOSA-N 394.431 2.521 0 40 GFAB NC(=O)c1cccnc1N1CCN(CCOc2ccc(Cl)cc2Cl)CC1 58217030 DKOAACALTOFDKT-UHFFFAOYSA-N 395.290 2.688 0 40 GFAB O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Oc2ccc(F)cc2)nc1 58295295 RUIGNAHWYXJYPD-OAHLLOKOSA-N 396.465 2.872 0 40 GFAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)NC1CCN(C2CC2)CC1 58391392 SHQUJGKLNRPCMX-CQSZACIVSA-N 378.467 2.717 0 40 GFAB CCn1nc(C(=O)Oc2ccc(-c3noc(C)n3)cc2)c2ccccc2c1=O 58406762 BAOMHENJJCJATJ-UHFFFAOYSA-N 376.372 2.994 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 3333271 KYKNAJXINOVNML-AUUYWEPGSA-N 390.443 2.508 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccc(Cl)cc1Cl 2322190 BDXZWGBMGBITPE-GFCCVEGCSA-N 398.193 2.927 0 40 GFAB COc1ccc(COC[C@H](O)CN[C@@H](c2ccccc2F)c2nccn2C)cc1 28690323 UGVXQDACSMTKMU-UTKZUKDTSA-N 399.466 2.825 0 40 GFAB CC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(c2ncccn2)CC1 12795889 XQZKHOXNRXOJFE-UHFFFAOYSA-N 375.432 2.551 0 40 GFAB CC(C)(C)c1cc(NC(=O)/C=C/c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 12734854 VOQASDNSVNEIPU-KTRBRXNASA-N 377.466 2.785 0 40 GFAB O=C(CNC(=O)NCCOc1ccccc1)Nc1ccccc1Br 12783648 QWNKQBCGYOORIL-UHFFFAOYSA-N 392.253 2.766 0 40 GFAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(CN2CCCC2=O)cc1 29229876 HTXKDXWAIIICNZ-UHFFFAOYSA-N 388.471 2.984 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CN3CCCCCC3=O)cc2F)C[C@H](C)O1 46068456 JQQDNKIHAWEDEK-GJZGRUSLSA-N 377.460 2.780 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1 48345182 BUNGXJDXCRYVJL-KRWDZBQOSA-N 396.896 2.708 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)c1 12802229 OCLSQTMXFKNTRE-IRXDYDNUSA-N 397.562 2.590 0 40 GFAB COc1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c1 12871630 CZFWURYIOGFPGQ-UHFFFAOYSA-N 387.395 2.940 0 40 GFAB COc1ccc(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)c(OC)c1 3521304 FNNVYBBDYLYLSB-UHFFFAOYSA-N 379.796 2.988 0 40 GFAB CC[C@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(OC)cc1 12924155 JZROGYUYVQRSKW-SFHVURJKSA-N 381.432 2.628 0 40 GFAB CC(=O)NCCC/C(NCc1ccccc1)=C1/N=C(c2ccccc2)OC1=O 6692538 TVEJKNFXOREBQL-VXPUYCOJSA-N 377.444 2.908 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccccc1 4778214 XBMOBQVVNINMKF-OAHLLOKOSA-N 376.478 2.502 0 40 GFAB Cc1cc(C)n2nc(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)nc2n1 6719617 WJFRHSRFMYRSCK-UHFFFAOYSA-N 382.855 2.777 0 40 GFAB CN(C)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 15044696 VJQKNQNMTHTCCH-FQEVSTJZSA-N 381.476 2.872 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3Cc3cccc4cccnc34)no2)cn1 96001793 UALWEVZWDFUUDA-KRWDZBQOSA-N 376.420 2.592 0 40 GFAB NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 7940402 LMKHFSAQBCKTDH-UHFFFAOYSA-N 376.503 2.944 0 40 GFAB CN1CCN([C@H](c2ccccc2Cl)c2nnnn2CCc2ccccc2)CC1 20142354 LGYPWORODCTCEQ-HXUWFJFHSA-N 396.926 2.906 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cccc(Cl)c1 8343182 JBQKGHXHXGNPDR-GOSISDBHSA-N 392.908 2.733 0 40 GFAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Oc2ccccc2)cc1 8328188 ZSBCRYNJAARUMZ-NSHDSACASA-N 382.449 2.948 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nc(C(C)C)n[nH]1 9836514 QTFBXRVAATZOMM-UHFFFAOYSA-N 381.889 2.737 0 40 GFAB Cc1nn(C)c(-c2nn3c(-c4cccnc4)nnc3s2)c1Br 72404854 UDZGHYMZUGWUJJ-UHFFFAOYSA-N 376.243 2.719 0 40 GFAB CC(C)Oc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 113935632 FHYMBFGNXGRXMC-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB COc1ccc(CSc2nnc(Nc3cccc(C)c3)c(=O)n2N)cc1OC 28535918 LGVBFIYSJQBQPF-UHFFFAOYSA-N 399.476 2.714 0 40 GFAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 408600323 AEGUHUFMORXJLC-UHFFFAOYSA-N 392.477 2.951 0 40 GFAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(SC)cc2)cc2c(O)nnc1-2 524734998 YBUURTRAYUPCLT-CQSZACIVSA-N 387.417 2.661 0 40 GFAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)cc1OC 72227277 CHECZOLRODREAC-CVEARBPZSA-N 377.238 2.882 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1547167145 RSJUOIJTEDHLSK-SJLPKXTDSA-N 393.487 2.745 0 40 GFAB COc1ccc(CCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 32827690 BGRUAKRJIOEGFA-UHFFFAOYSA-N 395.547 2.952 0 40 GFAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218097320 MDNFTNZDUVDPFZ-HSALFYBXSA-N 375.490 2.617 0 40 GFAB O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1cccnc1 40268177 OAOPTZBIMMUTPR-UHFFFAOYSA-N 395.488 2.759 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1cccnc1 71334252 INOIXNHLHSADNM-CQSZACIVSA-N 387.871 2.594 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(Cc3nc4ccccc4nc3C)C2=O)cc1 40159312 ZUZOQWBFUPCZHY-NRFANRHFSA-N 376.416 2.914 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)CCOc2ccccc2)CC1 40107970 LZXXYPYVTCRNPQ-UHFFFAOYSA-N 381.520 2.909 0 40 GFAB NC(=O)CCN(C(=O)CN1CCC[C@H]1c1ccsc1)c1ccc(F)cc1 46089378 XNPZNRXBOWXRGS-KRWDZBQOSA-N 375.469 2.933 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220119538 XNPSJLJDVQQWGH-CQSZACIVSA-N 392.477 2.805 0 40 GFAB CC[C@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12 222082984 WYQFJHHDOKWSHR-QWRGUYRKSA-N 380.374 2.908 0 40 GFAB O=C(c1cccs1)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 96038306 WHJRILKIJMZZFN-UHFFFAOYSA-N 397.504 2.647 0 40 GFAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2F)n1 604382649 WZGGVPPZVPMQCH-HNBVOPMISA-N 387.499 2.603 0 40 GFAB biogenic,in-vitro COc1ccccc1[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260772598 ZLRXPOUIROXWKH-KSSFIOAISA-N 376.478 2.505 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCc3c(F)ccc(C(=O)O)c3C2)C1 630238731 MPQSTLHUWGONSZ-UONOGXRCSA-N 390.455 2.693 0 40 GFAB CCS(=O)(=O)c1cccc(C(=O)N2CCNC[C@@H]2c2ccccc2Cl)c1 644131267 XARXWOSMVKTHLJ-GOSISDBHSA-N 392.908 2.920 0 40 GFAB C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@@H]2CCCN2)nn1 646273301 PQDRWRAPYBSKSG-NEPJUHHUSA-N 382.295 2.698 0 40 GFAB Cc1cccc([C@H](NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C(F)(F)F)c1 666371752 AAKSCOZKTGBNGB-YUTCNCBUSA-N 378.416 2.863 0 40 GFAB CC(C)c1ccc(-c2nc(CC(=O)N3CCn4c(O)nnc4C3)cs2)cc1 682165804 RNWBEVDLGVBGTA-UHFFFAOYSA-N 383.477 2.816 0 40 GFAB NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccnc1 55355814 IMXIAGOEPNIZCB-UHFFFAOYSA-N 375.428 2.788 0 40 GFAB CN(C(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1Cl)C1CCCCC1 58571448 YEWLCOKMHDDCPG-INIZCTEOSA-N 377.872 2.962 0 40 GFAB NCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 230834194 ACLWXUGWEQNQCF-LNLFQRSKSA-N 398.617 2.908 0 40 GFAB CC(=O)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1542984420 CHABAEYQALRAPE-FQEVSTJZSA-N 396.443 2.895 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 3189322 KGATUTWMGVPGRI-GXDHUFHOSA-N 382.441 2.844 0 40 GFAB O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)N1CCCc2ccccc21 5398479 YETDWIHCSGTHHB-UHFFFAOYSA-N 389.411 2.618 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3cnc(C)nc3C)cc2n1 12161379 FPVPJOZHSNAFBO-KRWDZBQOSA-N 380.452 2.772 0 40 GFAB O=C(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 15675073 NETFSCRRWYJHKT-SJORKVTESA-N 383.379 2.882 0 40 GFAB biogenic,in-vitro Cc1cc2nc(C[C@H](NC(=O)[C@@H]3CCCCO3)c3ccc(F)cc3)cc(O)n2n1 19129845 GGLLRHJSSADCSL-ROUUACIJSA-N 398.438 2.852 0 40 GFAB Cn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)[C@H]1CCCO1 19291743 HVCMZXFFEGNKTM-QGZVFWFLSA-N 399.882 2.899 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc2c(c1)CCCO2 19496114 RPLAPHMVLQKZEL-ZCCHDVMBSA-N 399.491 2.690 0 40 GFAB COc1ccc(CC(=O)NCCn2ncc(-c3cnccn3)c2C2CC2)cc1 19554387 ZVHCXGPPQUCKLF-UHFFFAOYSA-N 377.448 2.585 0 40 GFAB O=C(NCCCn1cccn1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 19661374 TYKNRCVDHWRCFJ-UHFFFAOYSA-N 381.402 2.720 0 40 GFAB Cc1nn(C)cc1CCC(=O)N1Cc2ccccc2NCC[C@@H]2CC[C@H](C1)N2C 643589012 ORYXSZXXLGSKAZ-LEWJYISDSA-N 395.551 2.968 0 40 GFAB CCCN1CCc2c(sc(NC(=O)c3cc(C)nn3C(C)C)c2C(N)=O)C1 38506998 LVZVOYOWCBQEBS-UHFFFAOYSA-N 389.525 2.953 0 40 GFAB CC(C)c1snnc1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 1615102459 KXSYWALDHOMNLO-MRXNPFEDSA-N 397.504 2.950 0 40 GFAB Cc1ccc(CNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952020 XVTDHVODJDJLRH-UHFFFAOYSA-N 379.460 2.875 0 40 GFAB COc1cc(OC)cc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1 4111272 ZUVPVYRMSFOWIS-UHFFFAOYSA-N 384.432 2.939 0 40 GFAB O=C(NCCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941635 OEDJFCHUIUVENJ-UHFFFAOYSA-N 392.484 2.917 0 40 GFAB COc1ccc(CC(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 9660924 UQVZSJRHXRRZEB-UHFFFAOYSA-N 397.862 2.931 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781416 RKSUEAHCWLHWMG-UHFFFAOYSA-N 395.390 2.860 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CC(n3nc(-c4ccncc4)ccc3=O)C2)cc1 1775974420 GKVGSLAMMLORQP-UHFFFAOYSA-N 390.443 2.790 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c2ccccc2n1 23106642 OIZMKRHDHIZBSX-QGZVFWFLSA-N 382.489 2.962 0 40 GFAB CCc1ccc(OCCOC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 23224697 FTHOVZHSRCDRQV-QFIPXVFZSA-N 384.520 2.828 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NCCn3cc(-c4cccnc4)cn3)c2O1 585148363 HRAHFEAHHDLSQQ-UHFFFAOYSA-N 392.459 2.854 0 40 GFAB NCCn1nc([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2cccnc21 19293368 JCQMGMNSAZXZHI-INIZCTEOSA-N 397.910 2.992 0 40 GFAB O=C(Cc1csc(N2CCCNC2=O)n1)NCc1cccc(C(F)(F)F)c1 102217678 CTFPCPISFDUFGQ-UHFFFAOYSA-N 398.410 2.941 0 40 GFAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cccnc2-n2cncn2)cc1 40050220 KNQVABAGBUIPCI-UHFFFAOYSA-N 379.420 2.755 0 40 GFAB COC(=O)c1ccccc1NCC(=O)Nc1cc2c(cc1Cl)OCCO2 40039033 NGTTUOALBVOPDP-UHFFFAOYSA-N 376.796 2.948 0 40 GFAB O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC(c2nnc3n2CCC3)CC1 40146913 NGZJHMIZKBRLHZ-UHFFFAOYSA-N 395.385 2.580 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318311 PYSBHIJBKSJSBR-OAQYLSRUSA-N 391.471 2.834 0 40 GFAB COc1cc(S(=O)(=O)Nc2cccc(O)c2)c(OC)cc1Br 32601907 CRQCBCIKRZBPRT-UHFFFAOYSA-N 388.239 2.973 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)nc2O)cc1 32778613 RQQHYKDIQIXJSE-UHFFFAOYSA-N 398.444 2.992 0 40 GFAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCc3ccco3)cc12 878480 MJRFGSYOFWECAF-UHFFFAOYSA-N 385.489 2.607 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C 1325587 DCQOHLFHWOQBPJ-CHWSQXEVSA-N 392.554 2.779 0 40 GFAB CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc(OC)c(OC)cc1F 32916526 XIUOAURTEXERRK-UHFFFAOYSA-N 390.521 2.831 0 40 GFAB C[C@@H](NC(=O)Cc1csc(N2CCNC2=O)n1)c1ccccc1OC(F)F 32930984 ARGLSTSPVWDKBF-SNVBAGLBSA-N 396.419 2.694 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CCNC(=O)c2[nH]nc3ccccc23)c1C 102783718 HWDUYQSROAMLJW-UHFFFAOYSA-N 379.420 2.588 0 40 GFAB O=C1CCc2cc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)ccc2N1 33066881 MVLIXHVVAHHRMK-QGZVFWFLSA-N 377.444 2.601 0 40 GFAB COc1cc(OC)c(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1Cl 6627413 VPTNFDUDNHTQRT-UHFFFAOYSA-N 389.795 2.813 0 40 GFAB CCOc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccco3)c(C#N)c2=O)cc1 6963761 YBAPDOZGNSNRKR-MDZDMXLPSA-N 377.356 2.964 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCN1C(=O)[C@@H]3CC[C@](C)(C1=O)C3(C)C)C2=O 101270942 BQQVNSIEULXIPZ-IETVQMFBSA-N 388.508 2.609 0 40 GFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 10448751 GXBJARQTVATLNC-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1cnn(-c3ccccc3)c1)C2=O 23731020 PCLCPZRQDIZMNL-HRAATJIYSA-N 381.480 2.762 0 40 GFAB Cc1ccc(-n2nc(C)c(CC(=O)NC[C@@H]3COCCO3)c2C)cc1Cl 54619852 OSMIEBMNFYXJHD-MRXNPFEDSA-N 377.872 2.525 0 40 GFAB O=C(NC[C@H]1COc2ccccc2C1)[C@H]1CSCN1C(=O)c1ccccc1 55315199 XSNVUSQTBJJPNF-MAUKXSAKSA-N 382.485 2.569 0 40 GFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCNS(=O)(=O)c1ccccc1 55736465 VKWYPIPRAGHUDZ-OAHLLOKOSA-N 397.500 2.982 0 40 GFAB Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)oc12 56393436 XCXSQUOXDSXBOT-HNNXBMFYSA-N 378.494 2.902 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1cccc2cccnc12 100279891 JNZQRBWGCFZPOE-BXXLAGKGSA-N 388.423 2.583 0 40 GFAB O=C(O)C1CCN(C(=O)CSc2ncnc3sc4c(c23)CCCC4)CC1 3291067 WSSXLRYDBZLZLD-UHFFFAOYSA-N 391.518 2.985 0 40 GFAB CC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 58026222 XUZMTWUKRFWPQO-GOSISDBHSA-N 399.557 2.927 0 40 GFAB O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccnc1 58193632 RFPYXFIKMYITQP-QGZVFWFLSA-N 379.382 2.904 0 40 GFAB COC[C@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 67870913 YGYJZDJSMUWKQG-RNIPGJKVSA-N 392.569 2.691 0 40 GFAB biogenic,in-vitro O=C1COc2cc(C(=O)OCC(=O)c3ccc(Br)s3)ccc2N1 22257474 XKFPARRAMLWQET-UHFFFAOYSA-N 396.218 2.881 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OC)cc1 2258137 SKJYWIXITDOBDR-MLGOLLRUSA-N 390.461 2.533 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)c1ccc(Cl)cc1)CC2 3330144 GBFWMRMVCYSGEO-UHFFFAOYSA-N 388.851 2.672 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CCn2cnc3sccc3c2=O)c1 12819586 LGTQLTKHNZMSTP-LBPRGKRZSA-N 387.461 2.743 0 40 GFAB O=C(COC(=O)Cn1nnc2ccccc21)Nc1cccc(C(F)(F)F)c1 3525620 QKJXCHINCUVBLR-UHFFFAOYSA-N 378.310 2.632 0 40 GFAB CCN(C(=O)COC(=O)[C@H](NC(=O)c1ccco1)C(C)C)C1CCCCC1 39192999 YGBYGWYHFCYENR-GOSISDBHSA-N 378.469 2.758 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NCCc1cc2ccc(F)cc2[nH]c1=O 49597385 PHFHIMNUSSMGLO-UHFFFAOYSA-N 378.400 2.636 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3nccnc3c2)c(C)c1 5346289 ZNEKEBAKIYHECF-UHFFFAOYSA-N 391.460 2.953 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(OC)c1 14184708 PTAPBAXHSRFIMF-OAHLLOKOSA-N 384.432 2.865 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 14184893 CZJPZIYVHCJOOL-RHSMWYFYSA-N 386.521 2.980 0 40 GFAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 6557978 RQXWAOCNADRCAQ-UHFFFAOYSA-N 396.559 2.682 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccc2c(c1)OCO2 4699540 DCMFKIOSDWRDQX-FRKPEAEDSA-N 398.396 2.796 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C 5512737 GZCRIHBMCLBUJV-UHFFFAOYSA-N 396.490 2.736 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1[C@H]1CCS(=O)(=O)C1 8917271 YZJPDLGSIDFTQB-KSSFIOAISA-N 395.436 2.525 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1C 6846473 HBPLZIQRLXHLSC-UHFFFAOYSA-N 377.466 2.645 0 40 GFAB O=C(CNC(=O)OCc1ccccc1)Nc1cc2c(cc1Cl)NC(=O)CO2 67162143 PCDHQOUTXTVXBG-UHFFFAOYSA-N 389.795 2.536 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7085088 XGQXXBHALJTOHK-JEOXALJRSA-N 386.477 2.536 0 40 GFAB Cc1ccc(SCCNC(=O)CSc2nnnn2-c2ccccc2)cc1 7339943 BJQBKHAGHKCJHP-UHFFFAOYSA-N 385.518 2.971 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(F)cc1 8114505 IRHOFDOJAHGPRL-UHFFFAOYSA-N 390.480 2.859 0 40 GFAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-n2cncn2)cc1 8129574 WMOIUDBYEYFOAU-UHFFFAOYSA-N 381.461 2.700 0 40 GFAB COc1ccccc1NC(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 19924173 MRXVJFLSYDOVCJ-UHFFFAOYSA-N 381.440 2.521 0 40 GFAB CC(C)(C)OC(=O)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 32101202 IVVQDXBEBLKNIC-HNNXBMFYSA-N 392.761 2.869 0 40 GFAB Cc1ccc(C(=O)N2C[C@H](c3cn(C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 306127635 GDYGPPLAUMBINW-IIBYNOLFSA-N 398.532 2.658 0 40 GFAB COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 89672786 IAMDNQZYUPOPSY-OAQYLSRUSA-N 381.432 2.718 0 40 GFAB COc1cc(C)c(CN(CCN2CCOCC2)Cc2cccnc2)cc1OC 22931461 JBEAKMFWFVRPBG-UHFFFAOYSA-N 385.508 2.742 0 40 GFAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 34886364 QWWXLHXGLZLCQL-GOSISDBHSA-N 376.460 2.549 0 40 GFAB COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccsc3)C2)cc1 306135717 OYMVQJCKPXBJHE-NRFANRHFSA-N 394.500 2.923 0 40 GFAB CCOC(=O)N1CCN(CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC1 34871970 JFFINQDCPLTBGN-KRWDZBQOSA-N 375.513 2.836 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(F)cc2)NC(=O)N3C)cc1 36678931 AROMDGJNUTZQIE-HXUWFJFHSA-N 395.434 2.869 0 40 GFAB COc1ccc(-c2c3c(=O)n(-c4ccncc4)ccc3nc3nc(C)nn23)cc1 38828795 NSEJWQYLFJENOU-UHFFFAOYSA-N 384.399 2.807 0 40 GFAB COc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc2c1=O 32095600 CZTZWORXEGMQRC-UHFFFAOYSA-N 375.384 2.917 0 40 GFAB CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)CC1 38204482 ITPGVPBKOMDJSM-HOCLYGCPSA-N 393.413 2.931 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(OC)c(O)c1 79486519 XFZCZIUKXXCYFB-KRWDZBQOSA-N 391.449 2.893 0 40 GFAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 47080997 WBCHZMMXUVKCQQ-LLVKDONJSA-N 379.309 2.920 0 40 GFAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 225785250 FNLIBPLMOWCQBZ-QGWWYQLQSA-N 388.895 2.897 0 40 GFAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1cc(=O)c2ccccc2o1 225582106 TZQNHPPZQWLZBM-UHFFFAOYSA-N 388.427 2.963 0 40 GFAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1C 223628174 VDZBLTWCIIRGMD-UHFFFAOYSA-N 378.469 2.567 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 223277041 DRUJNTBVZYSDLN-UHFFFAOYSA-N 388.367 2.631 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)s1 222685382 WCYGKPSLDVIEFI-QMMMGPOBSA-N 387.870 2.863 0 40 GFAB CSc1cccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 220069770 MPRCLKBYSDGWLM-UHFFFAOYSA-N 376.503 2.764 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C 222860079 VXBURSOPGXSQSJ-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB CN(C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(F)cc1 226050241 KHSSXFFJSHRVHQ-UHFFFAOYSA-N 384.860 2.904 0 40 GFAB CCOc1ccc(C(=O)NC)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224830224 DJTCVUCBUJCFBX-UHFFFAOYSA-N 396.896 2.919 0 40 GFAB CN1CCN(C(=O)Cc2cccc(NC(=O)c3cc4ccncc4s3)c2)CC1 573672318 RYRHFXPGCRFHGN-UHFFFAOYSA-N 394.500 2.865 0 40 GFAB NC(=O)N[C@H](Cc1ccccc1)C(=O)NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 195544686 SLBDYNPOLNNDQV-XRZHQBHLSA-N 389.927 2.960 0 40 GFAB Fc1cnc(N2CCC3(CC2)CN(c2ncccn2)Cc2ccccc23)nc1 96242625 ODWSTNMHZVGMJR-UHFFFAOYSA-N 376.439 2.964 0 40 GFAB Cc1cc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(C)o1 96237921 BOXXDZRHBFIJDY-NRFANRHFSA-N 385.439 2.599 0 40 GFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 144931593 XCONYWNGLCQIEW-UHFFFAOYSA-N 380.491 2.676 0 40 GFAB COc1cc(=O)n2c(c1C(=O)NCc1ccccc1OC(F)(F)F)CCC2 244942750 CYEYJZROVDCVNF-UHFFFAOYSA-N 382.338 2.632 0 40 GFAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)on1 257290319 QCKGCOHVSUGISD-SHTZXODSSA-N 398.467 2.534 0 40 GFAB COc1nccc2c(NC(=O)N3CC[C@H](N4CCN(C(C)C)CC4)C3)cccc12 603035417 KBWXDTQGYGXQNI-KRWDZBQOSA-N 397.523 2.876 0 40 GFAB CCc1ccc(NC(=O)C[C@H]2Cc3c(-c4ccccc4)nc(N)n3NC2=O)cc1 618256635 KMNRODGLMAFLIA-MRXNPFEDSA-N 389.459 2.966 0 40 GFAB CNC(=O)c1cc(Oc2cc(NC(=O)N3CC4(CCCO4)C3)ccc2C)ccn1 626421474 ADLASABYXLTXTN-UHFFFAOYSA-N 396.447 2.939 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@H](N(CC(=O)O)C(=O)OCc2ccccc2)C1 642881986 PFAZRPVAXDIMFG-HNNXBMFYSA-N 378.425 2.719 0 40 GFAB O=C1c2ccccc2C(=O)N1CC1(c2noc(Cc3cscn3)n2)CCC1 664908549 REISQCIDPNVMDS-UHFFFAOYSA-N 380.429 2.835 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)c2cccn(Cc3ccccc3)c2=O)Cc2ccccc21 679095808 OHRYAVSIJFYHSQ-HXUWFJFHSA-N 388.423 2.721 0 40 GFAB O=C(c1cnc2ccccc2n1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96372070 BYJKNLJPILONAQ-UHFFFAOYSA-N 381.457 2.708 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1-c1ccc(=O)n(C)n1 96025164 LHENUCNJUGSKML-UHFFFAOYSA-N 399.472 2.874 0 40 GFAB CO[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 96388345 AYRNQNDURVKRFM-SFHVURJKSA-N 379.453 2.666 0 40 GFAB CC[C@H](NC(=O)N1CC[C@@H](C)O[C@@H](C)C1)c1ccccc1OCC(=O)N(C)C 663736105 KUOBVQVOTIEODS-RYRKJORJSA-N 391.512 2.814 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN1CC(C)(OC)C1)C2 585104858 URBVHAZDBZUWMX-IBGZPJMESA-N 386.536 2.981 0 40 GFAB CN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 62647526 IFFQSZNVSIMOPX-ZBFHGGJFSA-N 395.345 2.669 0 40 GFAB COCCOc1ccc(CN2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cc1OC 72343318 OUTIHRVOFRWAJN-GHTZIAJQSA-N 382.460 2.955 0 40 GFAB Cc1noc(-c2cc(=O)n(CC(=O)NCC3CC3)nc2-c2cccs2)c1C 72337647 IOPNOPRCJDAILT-UHFFFAOYSA-N 384.461 2.770 0 40 GFAB COC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C1=O 1018644 PMVZALMGLUNBHV-LFIBNONCSA-N 385.445 2.753 0 40 GFAB COc1cc(C(=O)N2CCN(c3cc(C)nc(C)n3)CC2)c2ccccc2n1 12325896 YQJZSCNSNLGTNM-UHFFFAOYSA-N 377.448 2.613 0 40 GFAB C[C@H]1CCCC2=C1C(=O)N(CSCN1C(=O)C3=C(C1=O)[C@H](C)CCC3)C2=O 16923312 HHGRDQOYRMWVNL-TXEJJXNPSA-N 388.489 2.605 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccc(F)c3)ncc2C1 19018219 CLXBCOWXXPDNOY-FQEVSTJZSA-N 396.466 2.817 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19345689 WASVLMXOIAJXGE-NRFANRHFSA-N 376.504 2.907 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529681 NKVDDHHSNMJOSL-QPXQOZNCSA-N 392.455 2.767 0 40 GFAB COc1ccc(-n2nnc(C)c2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 19554674 KRBZQKLFFFEUIK-UHFFFAOYSA-N 393.447 2.673 0 40 GFAB COC(C)(C)C(=O)N(C)Cc1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19698594 ZMIMKINTZTXEQD-UHFFFAOYSA-N 396.491 2.648 0 40 GFAB Cc1ccc2cccc(OS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2n1 27946730 BMFJRNGDGMEAAB-UHFFFAOYSA-N 385.445 2.875 0 40 GFAB C[C@@H]1CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2S1 4435908 AOPGWTRFSRVWRE-CYBMUJFWSA-N 384.457 2.949 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)n2N)cc1 4916133 TUMYCSLHMSEBAL-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccccc1C 5018353 UYEIQAYBOJLGCR-AWEZNQCLSA-N 390.490 2.728 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2ccccc2Cl)nc(=O)[nH]c1C 5251697 QODOHXYIFPZQHC-UHFFFAOYSA-N 381.841 2.639 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 10338761 VFIYARDNEFUTOO-UHFFFAOYSA-N 389.386 2.930 0 40 GFAB Cc1ccc(N2CCN(CC(=O)NCc3nc(-c4ccccc4)no3)C2=O)cc1 49378847 GKAFAYRZYJFHJM-UHFFFAOYSA-N 391.431 2.603 0 40 GFAB COc1ccc(Cl)cc1NC(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49483248 ZPMQQKFVJANJJI-UHFFFAOYSA-N 386.799 2.820 0 40 GFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100224949 ZCPNQXMNRGZWCC-NVXWUHKLSA-N 397.818 2.637 0 40 GFAB CCCCCC(=O)NCCCN1CCN(CCCNC(=O)CCCCC)CC1 20582276 NVUPBBIIVSMRIE-UHFFFAOYSA-N 396.620 2.777 0 40 GFAB COc1cc(NC(=O)CSc2nnc(C)n2C2CC2)cc(OC)c1OC 32741784 JPJSVHGNIHWVNH-UHFFFAOYSA-N 378.454 2.678 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)COC(=O)c1ccc(-n2cccn2)cc1 21472009 PGCIADQABJRWSD-HNNXBMFYSA-N 379.416 2.915 0 40 GFAB Cc1cc2cc3c(cc2n2c(SCC(=O)N4CCCC4)nnc12)OCCO3 877385 DVYRLCAINJQBJW-UHFFFAOYSA-N 384.461 2.677 0 40 GFAB Cc1nc(COc2ccc(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)cc2)no1 12073580 LNBCJGXYPBIWGH-AWEZNQCLSA-N 387.436 2.761 0 40 GFAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 1353491 AZRYZSAVZVEJLQ-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB O=C(c1cccs1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1372334 PRSNUTYYNOHWOE-UHFFFAOYSA-N 390.472 2.839 0 40 GFAB CCOC(=O)CN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)C(C)(C)C 79111119 LYFXBDOUNQURCK-UHFFFAOYSA-N 386.876 2.959 0 40 GFAB COc1cc(-c2noc(CCCC(=O)NC(C)(C)C)n2)cc(OC)c1OC 2200200 HXGMKBFFCILFAQ-UHFFFAOYSA-N 377.441 3.000 0 40 GFAB COCCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c2ccccc2c1=O 70666452 MNTHBCUEWSTFAG-UHFFFAOYSA-N 380.400 2.687 0 40 GFAB biogenic OCCNc1nc2ccccc2n1C[C@@H](O)COCc1ccc(Cl)cc1 33014959 IZAAYFHULTWFEF-MRXNPFEDSA-N 375.856 2.672 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)cc1 6679750 OLZNKYIDWMYPRP-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB CCn1cnc2c(=O)oc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3c21 6733205 ZVUVWWQOOXQRLH-UHFFFAOYSA-N 399.428 2.972 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 677159 BKZASCJYOPJFBK-UHFFFAOYSA-N 391.518 2.890 0 40 GFAB CCN(CC)C(=S)NC(=O)c1ccc(OC)c(I)c1 675679 BJEHNPZXTHONHJ-UHFFFAOYSA-N 392.262 2.656 0 40 GFAB CCn1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c(=O)c2ccc(C)nc21 12323220 ROQAYCFRPMWUAB-LJQANCHMSA-N 377.444 2.939 0 40 GFAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl 23080335 VFPKJHIEBONEAT-GOSISDBHSA-N 377.916 2.708 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)no1 54326123 YEMWYVZAZAHIAW-UHFFFAOYSA-N 384.436 2.629 0 40 GFAB O=c1c(Cl)c(N2CCN(CCc3ccccn3)CC2)cnn1-c1ccccc1 12543142 UULAPXQWJVTJCF-UHFFFAOYSA-N 395.894 2.646 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)C[C@@H](C)O1 12531140 QWQXMYSNXXOFKG-OKILXGFUSA-N 392.452 2.876 0 40 GFAB COc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC(F)F 12520927 BTTQCMMKEACGEH-UHFFFAOYSA-N 386.376 2.920 0 40 GFAB CCOc1cccc(CNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1 113944699 MIVXGNIEVIMPRF-UHFFFAOYSA-N 376.478 2.801 0 40 GFAB COCCn1nc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)ccc1=O 25619082 WCZZYHGIZOOYIB-GOSISDBHSA-N 387.436 2.610 0 40 GFAB COc1ccc(OCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3261149 HVWHLFHFURHBCB-UHFFFAOYSA-N 385.203 2.958 0 40 GFAB Cc1cc2occ(CC(=O)N3CCC4(CC3)NC(=O)NC4=O)c2cc1C(C)C 27093587 LDVAENRVTUYYPY-UHFFFAOYSA-N 383.448 2.608 0 40 GFAB CCCC[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2093212 HEEQHJUOIHMCMN-OAHLLOKOSA-N 375.421 2.857 0 40 GFAB biogenic COc1ccccc1S(=O)(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 58201816 XHKHRWLTCKGPMX-NSHDSACASA-N 377.397 2.924 0 40 GFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 20482134 QQZVZMGYNZWKDA-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CN(C(=O)CSc1n[nH]c(N)n1)[C@]1(c2ccccc2Cl)CCCCC1=O 12750221 KIYJZODFWDLXIY-KRWDZBQOSA-N 393.900 2.629 0 40 GFAB CC(C)(CNC(=O)c1cc2cc(Br)ccc2[nH]1)N1CCOCC1 12791353 ABHYMUHWPVGSEJ-UHFFFAOYSA-N 380.286 2.771 0 40 GFAB Cc1cc([C@H]2CCCN2C(=O)Cn2cnc3c(oc4ccccc43)c2=O)no1 29244135 FRRUTUALHIFJPQ-OAHLLOKOSA-N 378.388 2.803 0 40 GFAB Cc1nn(CC(=O)Nc2ccccc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 12928954 GAGQXTITZGOINU-UHFFFAOYSA-N 390.509 2.559 0 40 GFAB Cc1nc(SCC(=O)N(C)Cc2ccccc2F)c(C(N)=O)c(C)c1C 12937469 JTBUDQBXWNWIAL-UHFFFAOYSA-N 375.469 2.996 0 40 GFAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(CCCC)C2=O)c(OC)c1 12916612 FELSGHGLQGTCLY-KVWPREENSA-N 390.480 2.969 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCCNC(=O)c1cccs1)c1cccs1 13006994 VARBQQUDRMRPAD-GFCCVEGCSA-N 380.491 2.740 0 40 GFAB CC(C)Cc1nnc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)s1 49544150 BREBMDGCXHMCMK-UHFFFAOYSA-N 375.479 2.661 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4185869 YIBMUIHHMYIIKU-UXHICEINSA-N 392.521 2.969 0 40 GFAB CN1CCn2c(nc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc32)C1 13723568 XHUJHIZNRBDBTA-UHFFFAOYSA-N 376.869 2.936 0 40 GFAB CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 5245164 SYVDVMCFEGVCHH-JKSUJKDBSA-N 376.453 2.574 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 408556546 JITGAMDXPNGTRB-UHFFFAOYSA-N 380.441 2.922 0 40 GFAB Cc1nn(CCO)c2ncc(C(=O)OCCOc3ccc(Cl)cc3)cc12 65565119 WRSNIRXLLRSCKC-UHFFFAOYSA-N 375.812 2.621 0 40 GFAB Cc1cccc(CN2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 306144812 ZPDCSQJOTVBFEN-JOCHJYFZSA-N 399.502 2.983 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(C)cc1 24491595 SVMYYUWJRQTTQV-QGZVFWFLSA-N 396.443 2.531 0 40 GFAB Cc1c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)oc2cc(O)ccc12 6660870 HUOWXZPFMPDRHE-UHFFFAOYSA-N 396.418 2.837 0 40 GFAB COc1ccc(CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 6624303 IFOWDUKXBPRLIK-UHFFFAOYSA-N 385.416 2.840 0 40 GFAB biogenic C[C@H](NC(=O)CCCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 4739931 SFBJSSWPVOQEGH-SFHVURJKSA-N 380.492 2.778 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(-n2cnnn2)cc1 7183538 FGUGWTPPAYUHPT-ZDUSSCGKSA-N 394.460 2.870 0 40 GFAB COc1cc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cc(OC)c1OC 15598090 PMPLMILYQDBYNT-UHFFFAOYSA-N 379.434 2.677 0 40 GFAB CN(Cc1ccccc1Br)C(=O)CSc1nnnn1C1CC1 8344500 COGYVXXYNZYDDT-UHFFFAOYSA-N 382.287 2.521 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c1 24664405 QSHFBLGHEOFMLM-UHFFFAOYSA-N 399.491 2.809 0 40 GFAB O=S(=O)(N[C@H](c1ccccc1)c1ccncc1)c1ccc2c(c1)OCCO2 8457429 JTICAUWHIZTTQD-HXUWFJFHSA-N 382.441 2.921 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(=O)OCc1ccccc1 17639102 VHBJNKXMMJFUPJ-UHFFFAOYSA-N 391.427 2.531 0 40 GFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2ccc([S@](C)=O)cc2)C[C@@H](C)O1 72309634 RPIAJMJOPXQZEP-UWNWBGMKSA-N 379.526 2.530 0 40 GFAB Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)no1 9537263 YPYPOPLKDMMIKB-UHFFFAOYSA-N 397.456 2.982 0 40 GFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cncc(Br)c2)C[C@@H](C)O1 95975663 SJLGABRHPKOWJI-ZENOOKHLSA-N 397.317 2.950 0 40 GFAB O=C(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1cccnc1N1CCCC1 95998160 XLXXPUNYXUNGKF-KRWDZBQOSA-N 388.475 2.685 0 40 GFAB Cn1cc(CN2CCC[C@H]2c2nc(-c3cncnc3N)no2)c2ccccc21 35426059 MJMCYWYSCMAEQH-KRWDZBQOSA-N 375.436 2.938 0 40 GFAB biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 408550496 CWSGKVSOVFOSAW-GJZGRUSLSA-N 376.478 2.548 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)c1 408555461 XDZCXKGHQJTHRE-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)n(C)c3ccccc13)CC2 524735395 ZWJMHBVHXNBXNS-KRWDZBQOSA-N 378.428 2.973 0 40 GFAB COc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 32603943 CNMNVZNLIVAHIQ-HZPDHXFCSA-N 398.511 2.943 0 40 GFAB COc1cccc(O[C@H](C)C(=O)NCc2nc(-c3cccc(OC)c3)no2)c1 219307727 DLJISZIZGCVVRD-CYBMUJFWSA-N 383.404 2.838 0 40 GFAB Nc1nn(CC(=O)c2ccc(OC(F)F)cc2)c(=S)n1Nc1ccco1 36625682 ANXXFKNKCQDICZ-UHFFFAOYSA-N 381.364 2.949 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc4c(s3)CCCC4)c(Cl)cc21 223350385 LADZPQLVHQUOQF-UHFFFAOYSA-N 399.881 2.921 0 40 GFAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 40159840 SCBSFEYOKTXRFU-LJQANCHMSA-N 384.432 2.983 0 40 GFAB COC(=O)c1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)cc1 225216564 UHQDVMGNPBWMMY-UHFFFAOYSA-N 379.551 2.683 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223062799 HQCBPQCQUSGTPC-AWEZNQCLSA-N 394.468 2.722 0 40 GFAB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226856546 YNIVAULIYHVUNA-UHFFFAOYSA-N 393.417 2.697 0 40 GFAB CS(=O)(=O)N[C@H](CC(=O)N1CCOc2ccccc21)c1ccc(Cl)cc1 225948679 PWALRMORHLIAAL-OAHLLOKOSA-N 394.880 2.746 0 40 GFAB COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 226020561 BMOMSTWMUPSCJW-UHFFFAOYSA-N 382.869 2.632 0 40 GFAB CN1CCCN(C(=O)c2cc(-c3ccn(CC4CC4)n3)n3ccccc23)CC1 96266693 UMVIRZUNXLRJOX-UHFFFAOYSA-N 377.492 2.991 0 40 GFAB Cc1ccc(N2CCC3(CC2)C(=O)N(C[C@H]2CCCO2)c2ccccc23)nn1 96078933 HWDOYNUVKIGCNT-QGZVFWFLSA-N 378.476 2.849 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCCCC1)NC2=O 247912854 AHJAKLFIJVEYSA-HIMJEHTPSA-N 384.476 2.962 0 40 GFAB COc1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)cn1 257221648 DPZWESJCCVHLPH-CBGDNZLLSA-N 396.491 2.899 0 40 GFAB CC1(C)CC[C@H]2C[C@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)c3cccc1c32 540677721 PNIFCIOYZAPUPT-LRDDRELGSA-N 389.459 2.858 0 40 GFAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccc(C(F)(F)F)nc1 252496596 PMQANHDFJMEVGO-UHFFFAOYSA-N 383.349 2.676 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@@H]1CCc1cncc(-c2c(C)noc2C)n1 257322700 WHAFSHSSLDFBCN-MRXNPFEDSA-N 396.451 2.606 0 40 GFAB Cn1ncc(C2CC2)c1CNC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 661810085 UUKJSMNYKHLENX-UHFFFAOYSA-N 399.470 2.997 0 40 GFAB O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)NC1CCNCC1 667100635 QKLILVQOEPNRNF-UHFFFAOYSA-N 379.526 2.808 0 40 GFAB COc1cc(NC(=O)N2CCN(Cc3cnc4ccccn34)CC2)cc(OC)c1 90609433 UNUOIGRDRSHWNY-UHFFFAOYSA-N 395.463 2.701 0 40 GFAB COC(=O)[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(OC)c(O)c1 613833669 ZUUTUUQLXXKYFS-LJQANCHMSA-N 386.379 2.594 0 40 GFAB Cc1noc([C@H]2CN(C(=O)Nc3ccc(OCCC(C)C)nn3)C[C@@H](C)O2)n1 626613989 NTBDCXZKEXDBJW-TZMCWYRMSA-N 390.444 2.587 0 40 GFAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)cc1F 390830968 OQPSQZFYKVGHPR-KBPBESRZSA-N 392.452 2.992 0 40 GFAB CCc1nnc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)s1 5007452 HSUBKBUHYVKWRV-UHFFFAOYSA-N 395.535 2.757 0 40 GFAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c2ccccc12 11691682 FYBMBRPRDFVRDQ-CYBMUJFWSA-N 384.251 2.840 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)C1 12129246 WAQDVENUOOBVEG-DOTOQJQBSA-N 385.464 2.872 0 40 GFAB O=C(c1ncoc1-c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 12145540 DDWAKEBVKGDCQQ-HIFRSBDPSA-N 379.391 2.902 0 40 GFAB Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2)nc(O)c1Cc1ccccc1 13407909 DMHJAGGWJKJHDB-UHFFFAOYSA-N 398.444 2.592 0 40 GFAB CCOc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)cc1 13582887 VTOSSNSOOSFROS-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB CCOc1ccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 13673310 ZRLNPUJCGWDERB-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB O=C(N[C@H]1CCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 14196916 GDYNKIZIEDTGSR-KRWDZBQOSA-N 390.530 2.953 0 40 GFAB CCCc1nn(CC(=O)Nc2ccc(C(=O)OC)cc2)c(=S)n1-n1cccc1 16807000 UDAWHQPDURCQDJ-UHFFFAOYSA-N 399.476 2.905 0 40 GFAB COc1ccc(CN2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)c(C)c1C 19239073 WFLOYDJYDISKBE-UHFFFAOYSA-N 391.475 2.719 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3ccccn3)C2)n1C 19289277 CDJQNYZIDKVLAZ-GJZGRUSLSA-N 386.525 2.512 0 40 GFAB Cc1nc2cc3c(cc2n1CC(=O)Nc1ccc2ncn(C)c2c1)OCCO3 19718222 XTHOHNANCCWSMF-UHFFFAOYSA-N 377.404 2.641 0 40 GFAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)[C@@H]4CCCO4)sc3C)cc21 19796509 YFPMVVMCFHNXBS-HNNXBMFYSA-N 387.461 2.981 0 40 GFAB CCOc1cc(CN2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)ccc1OC 19531904 GHWLTUXBSRXEEV-KRWDZBQOSA-N 398.507 2.767 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 22462100 VIMRGZHQGPKAKI-UHFFFAOYSA-N 385.508 2.800 0 40 GFAB Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1F 4479718 AAEZVFLSEIKXJQ-CQSZACIVSA-N 385.395 2.832 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 207997298 ZHIZQXAVKXZXIH-MRXNPFEDSA-N 382.420 2.899 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)c1 225722441 TZWLCFKICHJIEV-HNNXBMFYSA-N 393.490 2.590 0 40 GFAB O=C(NCCOc1ccccc1)NC[C@@](O)(c1ccccc1)C1CCOCC1 575612359 LZKWKGPTNVXMAZ-JOCHJYFZSA-N 384.476 2.679 0 40 GFAB CNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 31750109 OHJOGKFUFBJLCS-CYBMUJFWSA-N 396.896 2.640 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNc2ncnc3sc(C)cc23)C1 31866332 QDJRYOUMSOMIHR-CYBMUJFWSA-N 376.482 2.603 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 32753998 BBZMQDNHPZCVEC-LBPRGKRZSA-N 399.472 2.805 0 40 GFAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccco1)Nc1cccc2ncccc12 21481390 ZMWIFZWXHUWBKI-KRWDZBQOSA-N 393.399 2.614 0 40 GFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 102471187 KDOGSPTXGALMSY-CECAUBDESA-N 381.476 2.561 0 40 GFAB Cc1ccc(N2C(=O)c3cc(N(C)C)ccc3[P@]2(=O)N2CCOCC2)cc1 3220732 WNENNMOWZKDAND-MHZLTWQESA-N 385.404 2.872 0 40 GFAB CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)c1 4231558 QDDBEOPFGPJDNH-UHFFFAOYSA-N 388.478 2.669 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(Cc4cccs4)CC3)C2=O)c(C)c1 102701039 ZDRVPFBCPQRBMF-IBGZPJMESA-N 383.517 2.815 0 40 GFAB O=C1COc2cc(C(=O)Nc3cccc(I)c3)ccc2N1 21889573 IEOLFYGGAHUKOP-UHFFFAOYSA-N 394.168 2.874 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 4855178 CIGHDMARMUZAJE-UHFFFAOYSA-N 383.477 2.961 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccccc1 7304408 UXNCBQDENMGJIK-UHFFFAOYSA-N 386.267 2.815 0 40 GFAB COc1ccc(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)cc1OC 2794828 OKVXKSACUCGQDT-UHFFFAOYSA-N 392.419 2.708 0 40 GFAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCc1ccncc1 12324972 HJRNRLWVUWPZOT-UHFFFAOYSA-N 391.456 2.528 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 8039530 JWUDTOASQBAZBC-QGZVFWFLSA-N 394.427 2.732 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 8039559 WALQYOCMOBQGNU-QGZVFWFLSA-N 394.427 2.732 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)c(C)c2)cc1 8729487 DNBXAGQBRSQEQG-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB CC(C)c1ccc(C(=O)NCCCNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 22470767 XVBZFVHTXVZFQX-UHFFFAOYSA-N 392.459 2.596 0 40 GFAB biogenic COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C)cc1 940600 FCTRUVZHBZBHNK-GOSISDBHSA-N 376.420 2.918 0 40 GFAB Cc1ccccc1NC(=O)CN1C(=O)C(=O)N([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 104677224 YCURWKYJHUEOCX-FXUDXRNXSA-N 383.448 2.549 0 40 GFAB CCCn1nc(C(=O)Nc2cc(F)cc(Br)c2OC)ccc1=O 23758626 GQEBNTISJHKKOU-UHFFFAOYSA-N 384.205 2.816 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3c3ccnc(-c4ccccc4)n3)no2)cn1 96001714 JBCUIZKTEXTUKW-MRXNPFEDSA-N 389.419 2.505 0 40 GFAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1 24115754 RWBQXCUJOOFDPS-CQSZACIVSA-N 384.505 2.902 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(-n4cnnc4)c3)c(C)n2n1 24703802 QRGBXKMHSITFBZ-UHFFFAOYSA-N 375.436 2.807 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCC1 100444114 DJYKBYCMIDUIAN-IIDMSEBBSA-N 392.521 2.788 0 40 GFAB CC(=O)c1ccccc1OCCOC(=O)CCn1cnc2ccccc2c1=O 26126391 QNCLOIFEBXRGIT-UHFFFAOYSA-N 380.400 2.611 0 40 GFAB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 24990483 OVXLXZPCEXOXCM-UHFFFAOYSA-N 379.309 2.920 0 40 GFAB O=C(c1csc(-c2ccoc2)n1)N1CCN(C[C@@H](O)c2ccccc2)CC1 108278426 IMYVKARUYXMXCP-GOSISDBHSA-N 383.473 2.895 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)OCc3ccccc3)CC2)C1 26895288 DEGDZTPEJCXSMX-SFHVURJKSA-N 389.496 2.950 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)Nc1ccc(F)c(N2CCCC2=O)c1 48233502 JBTLYVIQXOXORI-AWEZNQCLSA-N 385.395 2.914 0 40 GFAB CC(C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2[nH]1 44599512 MWUSMPUTPMYFOY-IBGZPJMESA-N 375.432 2.786 0 40 GFAB O=S(=O)(N1CCCCCC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 48310769 DDVBWFAJFDFNMF-UHFFFAOYSA-N 393.340 2.631 0 40 GFAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c(C)c1 408978967 BFBVUPCSYBKIMV-OAQYLSRUSA-N 399.450 2.978 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)CC2=O)cc1 45388897 QNYNAEWTPXAGIS-HOCLYGCPSA-N 398.459 2.943 0 40 GFAB Cc1nc2cc(C(=O)OCC(=O)NC[C@H]3CCCO3)ccc2n1-c1ccccc1 10992695 LUJJQSHINVLBQZ-GOSISDBHSA-N 393.443 2.786 0 40 GFAB Cc1cc(C(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)n2ncnc2n1 36619281 FFZDZLZLVZRQOS-UHFFFAOYSA-N 385.790 2.722 0 40 GFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1cccs1 11292358 XOLHMRAQBYZADX-YJBOKZPZSA-N 385.489 2.725 0 40 GFAB CCCCn1nnnc1CSc1nc(O)c2cnn(-c3ccccc3)c2n1 12895626 ZWQQOGWOYRRETD-UHFFFAOYSA-N 382.453 2.600 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)ccc1Br 3487626 GZCBGHXETLZJLQ-ZDUSSCGKSA-N 382.258 2.663 0 40 GFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1 12983137 ZFYJKNLYAPDUPC-FMIVXFBMSA-N 382.485 2.924 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 13098103 IJTHPSYHRBTSIS-JOCHJYFZSA-N 378.476 2.542 0 40 GFAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nnc(C2CC2)s1 49547009 OEFXKTVDDYKHDX-UHFFFAOYSA-N 382.445 2.946 0 40 GFAB O=C(Nc1cccc(F)c1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13734679 DAMJYNRLIAXERD-CQSZACIVSA-N 377.441 2.513 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 18129535 REEJOWJHXQOORC-UHFFFAOYSA-N 391.475 2.522 0 40 GFAB Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2C)cc1C 5228988 XLXNDGUBSSVNBA-UHFFFAOYSA-N 377.462 2.512 0 40 GFAB NC(=O)c1ccc(CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 8744857 IDUAHJDSMIDYJX-UHFFFAOYSA-N 377.429 2.912 0 40 GFAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(C(C)(C)CO)cc2n(C)c1=O 5346227 FKSQWEFQCZNODA-UHFFFAOYSA-N 383.492 2.731 0 40 GFAB CC[C@@H](NS(=O)(=O)c1ccc(CNC(C)=O)cc1)c1ccc(OC)cc1 14228835 JJFXRVIAHNBDNQ-LJQANCHMSA-N 376.478 2.761 0 40 GFAB Cc1ccc2nc(CSCC(=O)N3CCC(c4ccccc4)=N3)cc(=O)n2c1 6510151 NZNXCXCIAKDUEJ-UHFFFAOYSA-N 392.484 2.873 0 40 GFAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 4704073 HHQRHAAIZFAQIU-KRWDZBQOSA-N 385.395 2.638 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)cc4C)[C@H]3C2=O)cc1 4877956 QVWZEBGDOSYVPZ-RTBURBONSA-N 391.431 2.544 0 40 GFAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)nn12 8941004 NSMSCEJXRVQNRA-UHFFFAOYSA-N 380.389 2.537 0 40 GFAB COC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1OC 6994085 FFQIQQPDZIKNSU-ZDUSSCGKSA-N 376.482 2.920 0 40 GFAB O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 67386220 IAMMHRUUABHWTQ-CRAIPNDOSA-N 384.423 2.633 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCCSc1ccccc1 15512684 XECNRBRLXGWPES-UHFFFAOYSA-N 397.544 2.743 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(CN2CCCC2=O)cc1 7312531 WOXVUWHCZMPZEF-UHFFFAOYSA-N 379.460 2.740 0 40 GFAB COc1ccc2nc(NC(=O)CCc3c(C)nn4cnnc4c3C)sc2c1 71285438 HMDJPSWOTGWENZ-UHFFFAOYSA-N 382.449 2.931 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 7778482 WKLBYEZORFDSBF-BXKDBHETSA-N 393.793 2.925 0 40 GFAB Cc1ccccc1-n1cnnc1SCC(=O)NCc1ccc2c(c1)OCO2 7988913 CLVHEGWPHVXGFU-UHFFFAOYSA-N 382.445 2.713 0 40 GFAB NC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 9154194 MVYQWQCBWREPFA-UHFFFAOYSA-N 391.193 2.627 0 40 GFAB CCCCc1nc2ccccc2n1CC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 8163423 JNIRXWRUCIMVQR-HXUWFJFHSA-N 390.487 2.818 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1S(N)(=O)=O 8111086 TUHXCAPDSFDNKO-UHFFFAOYSA-N 395.289 2.750 0 40 GFAB C[C@H]1c2ccsc2CCN1C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 25382580 GSMQBYSQWXUGMA-ZDUSSCGKSA-N 375.494 2.839 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(F)c2)C1=O)c1cccs1 9306776 FNXXVSQNYYVWGW-CQSZACIVSA-N 387.314 2.632 0 40 GFAB COc1cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)O)C3)c(C)c2cc1Cl 9341046 IIEBYYVBEXDRHE-NSHDSACASA-N 393.823 2.629 0 40 GFAB CCc1oc2ccccc2c1CN(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 9515521 LXNILFJZEJAMLQ-UHFFFAOYSA-N 383.448 2.818 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCCN1C(=O)c1ccco1 72007381 HLVRYXCBXRUDIL-GOSISDBHSA-N 395.459 2.718 0 40 GFAB C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(N2CCCNC2=O)c1 95456681 LQVYJVHVZDZIPE-QGZVFWFLSA-N 378.476 2.957 0 40 GFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 85210708 AUTCQXVTOIJYOT-VVFHAYQLSA-N 399.488 2.557 0 40 GFAB in-vitro Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cn1 89755160 BWLQHNGXZCKEAF-SFHVURJKSA-N 387.505 2.725 0 40 GFAB O=C(OCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 89814008 NHYSQLLLJHVABC-UHFFFAOYSA-N 395.864 2.718 0 40 GFAB O=C(Nc1ccnn1Cc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 89840907 RKTADJDPXHLUJQ-KRWDZBQOSA-N 376.416 2.510 0 40 GFAB CCN(CC(=O)N(C)Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 177555221 QRDXMEFEPBOKOF-UHFFFAOYSA-N 378.469 2.803 0 40 GFAB CC(=O)OCc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)o1 36740094 DEMAWKZHDZTIFE-MJGOQNOKSA-N 378.375 2.730 0 40 GFAB Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccccc2Cl)CC1 548854484 MJBUPXNJQCVSJT-UHFFFAOYSA-N 389.887 2.752 0 40 GFAB CCCc1nc(S/C(=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)O)n[nH]1 213388596 PRVDXWZKHAQPLS-LFGHMXSPSA-N 385.449 2.857 0 40 GFAB O=S(=O)(c1cn[nH]c1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359856 UBICSKNHTICNHY-UHFFFAOYSA-N 387.440 2.574 0 40 GFAB CC1=C[C@@]2(Nc3cc(C(C)(C)C)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40545222 CPQBTFZJMOKVID-KRWDZBQOSA-N 394.269 2.837 0 40 GFAB CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1Cc2ccccc2CN1 567980044 KORQCMBGPJEKBY-JOCHJYFZSA-N 378.520 2.861 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220466716 VXBJYSDKCFXKKS-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC)c2)ccc1Cl 225411577 VGCYMGJDLAVMES-UHFFFAOYSA-N 396.852 2.677 0 40 GFAB COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224795793 JKODQIZVZIGGNC-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 49550775 LNIPAYGPSNEWNW-CYBMUJFWSA-N 398.444 2.697 0 40 GFAB C[C@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768805 DPCXETSFGBUGOT-MRXNPFEDSA-N 388.895 2.798 0 40 GFAB COCCCNC(=O)C1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 40288241 SGGGFISEVBVKRS-UHFFFAOYSA-N 388.537 2.939 0 40 GFAB CCN1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 225785902 CNPARGMJLYIISI-UHFFFAOYSA-N 381.299 2.745 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ccc21 225679056 DLIQURHOIKIUNN-UHFFFAOYSA-N 378.519 2.847 0 40 GFAB CS(=O)(=O)C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nncs2)cc1 576325556 IYGVCYFNDKYIND-CQSZACIVSA-N 380.495 2.636 0 40 GFAB COc1cccc(C(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)c1 96147031 SYXNVALSQIGZAV-UHFFFAOYSA-N 385.489 2.629 0 40 GFAB CCOC(=O)c1cnc([S@](C)=O)nc1NCc1ccc(OC)c(Cl)c1 95830665 HPWWGZRNBFATPZ-RUZDIDTESA-N 383.857 2.665 0 40 GFAB COCCNC(=O)c1cc(-c2cn(Cc3cccnc3)c(C)n2)n2ccccc12 96266821 HSIUJVNJBISUGH-UHFFFAOYSA-N 389.459 2.931 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227413 BWPDGZXNIDFHSE-KNQAVFIVSA-N 381.451 2.660 0 40 GFAB Cc1cccc(C(=O)N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)n1 257249945 JKJABKSQZYRCDS-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB O=C1[C@@H](O)CCCCN1Cc1nc(-c2cccc(OCc3ccccc3)n2)no1 643967175 CUVNNABEIQTHJR-KRWDZBQOSA-N 394.431 2.584 0 40 GFAB O=C(c1nc2ccccc2s1)N1CCC(n2nnc3ccsc3c2=O)CC1 390831281 QXIUWNQENVCGQU-UHFFFAOYSA-N 397.485 2.940 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1Cc2ccccc2O1 58113158 NJXAZLPVYPSGPO-INIZCTEOSA-N 389.249 2.816 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)nc2n1 5021461 DCDOVSCJRABSJT-UHFFFAOYSA-N 394.218 2.843 0 40 GFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 5218860 CQLYEIBPDIETFE-NRFANRHFSA-N 399.397 2.859 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)cc2F)nc1N 5969585 CODIYYKWOLTXIF-UHFFFAOYSA-N 384.820 2.759 0 40 GFAB COc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(OC)n1 11765191 OVLMBMNUOQENCE-UHFFFAOYSA-N 377.832 2.501 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(S(=O)(=O)C(C)C)C3)cc2n1 12257607 RAVBSLFOWYXINK-LBPRGKRZSA-N 390.431 2.974 0 40 GFAB Cc1cc(C)c2nc(NC(=O)Cc3c(C)nc4nc(N)nn4c3C)sc2c1 12814271 JLHZDPKFIQRMFQ-UHFFFAOYSA-N 381.465 2.731 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H]3CC(=O)c4ccccc4O3)C2)c(F)c1 13267265 MHFFWFZDGPPRAR-JLTOFOAXSA-N 396.418 2.811 0 40 GFAB O=C1C[C@@H](C(=O)N2CCCC[C@H]2CN2CCCCCC2)CN1Cc1cccnc1 19338788 SPQMOLBGUTZBLL-RTWAWAEBSA-N 398.551 2.687 0 40 GFAB O=C(c1c(F)cccc1F)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085226 RKGKAFLRTRRIEW-NSHDSACASA-N 375.404 2.985 0 40 GFAB Cn1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 12365973 CMMOPNKYIKVTLK-GOSISDBHSA-N 388.493 2.611 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1 12984791 GMGVTOGRQJDPRL-UHFFFAOYSA-N 399.838 2.560 0 40 GFAB Cc1ccc(C(=O)NCC(=O)NCCCN2CCc3ccccc3C2)cc1C 29839994 PSBBCLXBXNMMQY-UHFFFAOYSA-N 379.504 2.598 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909067 RCOYDSIHKRTUCF-HXUWFJFHSA-N 375.444 2.531 0 40 GFAB CC(=O)Nc1cc(C(=O)N2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)ccn1 2037912969 HTYVUIRUNHLBFE-JOCHJYFZSA-N 397.475 2.703 0 40 GFAB CO[C@H]1C[C@@H]([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3[C@@H]2CC[C@H](OC)[C@H](OC)C2)CC[C@H]1OC 2061000835 WWYKFTBJMONEJG-WERNIEGISA-N 398.540 2.677 0 40 GFAB COc1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 2976004 JDUDQRUHSHVFKZ-UHFFFAOYSA-N 383.473 2.953 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374222 TVVBYYQCNUJOPR-MRXNPFEDSA-N 380.423 2.954 0 40 GFAB CCc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)s1 8954927 BNFOCHOHLHTPPQ-UHFFFAOYSA-N 395.531 2.574 0 40 GFAB COc1ccc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1 15085044 MHQVXJFMFIRPCT-UHFFFAOYSA-N 377.356 2.616 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)c(C)c1 575614651 ZTODWFJYKLOFOS-INIZCTEOSA-N 377.491 2.830 0 40 GFAB Cc1nccc(OC2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 585146991 FLUQAIFJGUBQIP-INIZCTEOSA-N 390.484 2.554 0 40 GFAB Cc1cnn(-c2cccc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)n2)c1 2298060305 QMKIXDWJJWGBAL-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB COc1ccc(C2=NO[C@](CC(=O)O)(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 15972720 ICFQFTHRDZUGKL-OAQYLSRUSA-N 396.399 2.874 0 40 GFAB O=C([C@H]1C[C@@H](NCc2ccccc2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCCC1 2332241818 NDZNOTYGGKCVIG-UYWIDEMCSA-N 394.519 2.532 0 40 GFAB Cc1cc([C@H](C)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)s1 40074214 NGLSJDLBDQRAGO-HNNXBMFYSA-N 397.500 2.614 0 40 GFAB O=C(CN1CCN(c2ccc(F)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1 51182414 CXDONQBZRIOKBC-LJQANCHMSA-N 396.510 2.590 0 40 GFAB COc1cccc(OCc2nnc(SCC(=O)N3CCC(C)CC3)n2C)c1 904907 FXSCZYCLVPBSDJ-UHFFFAOYSA-N 390.509 2.753 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 1368301 PYNMGQMHHUCQOQ-GJZGRUSLSA-N 388.555 2.573 0 40 GFAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCO)C(=O)NCc3ccccc3)cc12 1371595 VRTNXDSNMJDUBE-UHFFFAOYSA-N 379.460 2.849 0 40 GFAB CCC(=O)N(Cc1cccnc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1377545 QIMNHEVDPYTODQ-UHFFFAOYSA-N 381.432 2.879 0 40 GFAB Cc1ccc(-c2nc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)no2)cc1 32905977 XPQMOSFLZVMAPM-NRFANRHFSA-N 390.399 2.775 0 40 GFAB CC[C@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 4858858 BRBNPDGOYRACDB-WFASDCNBSA-N 375.498 2.830 0 40 GFAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 6327866 FQGZLKPSRFMMKF-UHFFFAOYSA-N 376.478 2.953 0 40 GFAB COc1cc([C@@H](C)c2cc3c(cc2OCCN)OCO3)cc(OC)c1OC 6443255 LIGUTTHNIDGGCQ-GFCCVEGCSA-N 375.421 2.930 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)c1 7940124 RQIDRVGFOFGGRD-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CN(C)C1(CNC(=O)CNC(=O)c2ccccc2Br)CCCCC1 7990043 DHNWQBINGWOJIF-UHFFFAOYSA-N 396.329 2.560 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccco1)NC2=O 100181395 PDUFOBXTUSCOGH-OPBZVQAQSA-N 396.443 2.859 0 40 GFAB CCCn1nc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)ccc1=O 22291182 MPSDMZOLGKRYTO-UHFFFAOYSA-N 375.498 2.594 0 40 GFAB O=C(Cc1cccc2cccnc12)N[C@H](CN1CCOCC1)c1ccccc1 54520062 VKROWZNBJHHSMN-OAQYLSRUSA-N 375.472 2.967 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(c3ccc(Cl)cc3)=NC2=N1 940654 COZPNHGSBVLPRD-INIZCTEOSA-N 383.814 2.916 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)NC)cc1)O[C@@H](C)C2 12556966 QLQHDKPDSDPLBD-LBPRGKRZSA-N 390.461 2.569 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1SCC(N)=O 12522758 AANSKLBJQFZNBE-UHFFFAOYSA-N 379.869 2.977 0 40 GFAB Cc1cc(C)n2ncc(C(=O)N[C@@H](c3ccccc3F)c3nccn3C)c2n1 12535313 AEWVDOFEKVDICU-KRWDZBQOSA-N 378.411 2.738 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc2c(c1)CCC(=O)N2 25472052 KIAPJQUIOMPWBC-UHFFFAOYSA-N 382.416 2.728 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)C2)n1 56131566 WVDMIQQDRGMNBX-JQWIXIFHSA-N 380.857 2.992 0 40 GFAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC[C@@H]1CCCO1 3255111 AHSQPENSJKMJED-NSHDSACASA-N 396.802 2.895 0 40 GFAB COc1ccc(/C=C/c2nc3s/c(=C/c4ccccc4OC)c(=O)n3n2)cc1 27022057 AJIRLUXZNCYEEY-HEMGCLFMSA-N 391.452 2.886 0 40 GFAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(C(=O)c2ccco2)CC1 48299922 KTXWIQGODHATQW-MRXNPFEDSA-N 381.476 2.943 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 48253316 CWKXVYSNTMYXBA-UHFFFAOYSA-N 383.452 2.538 0 40 GFAB CCS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 2197111 SAOHZZCMDSMAGP-ZDUSSCGKSA-N 381.454 2.672 0 40 GFAB CCCn1c(CN2CCC[C@@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 57585086 OGDJZCPURVKHCS-OAHLLOKOSA-N 378.542 2.929 0 40 GFAB CNC(=O)Cc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 58325365 QDZXGKKHSIIECH-GOSISDBHSA-N 380.448 2.610 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CSc3nccn3C)cc2F)C[C@@H](C)O1 58429836 AAJVGXFSLHRDJO-BETUJISGSA-N 378.473 2.904 0 40 GFAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(F)c2)cc1 12781351 SQWRVOXDDNDAOS-UHFFFAOYSA-N 380.416 2.678 0 40 GFAB CCn1nc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c2ccccc2c1=O 12775810 CKPWLENWTRCUNY-UHFFFAOYSA-N 376.420 2.994 0 40 GFAB CCOc1ccc(-c2nnc(NC(=O)CCNC(=O)c3ccccc3)o2)cc1 12732592 BFBSFZUGQORNAD-UHFFFAOYSA-N 380.404 2.894 0 40 GFAB C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O 48331974 QMODLOBIQGPKEI-DIFFPNOSSA-N 399.230 2.793 0 40 GFAB C[C@H](NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 45636545 WPPFOHXLEKJQTI-CGTJXYLNSA-N 387.480 2.530 0 40 GFAB NC(=O)c1cc(NC(=O)COc2ccc(Cl)c3ccccc23)cc(C(N)=O)c1 3477156 YYOHNRVIPNBOMW-UHFFFAOYSA-N 397.818 2.709 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1OC 12912246 ZTNLNSIQWHPENQ-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69977105 VTIDRIAPSHHDBK-UHFFFAOYSA-N 390.491 2.667 0 40 GFAB CCCc1c(-c2ccccc2)nc(N2CCN(c3ncccn3)CC2)[nH]c1=O 13611875 ORCMYIOXRFZWCU-UHFFFAOYSA-N 376.464 2.506 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 4393290 NMPFJWNIAMWBKN-UJHHCITNSA-N 377.437 2.638 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1Cc1cc2c(cc1Br)OCO2 5216006 KKMMZGXNTZDJRJ-UHFFFAOYSA-N 396.218 2.523 0 40 GFAB Cn1c(SCCOc2ccc(Cl)cc2)nnc1[C@H]1CCS(=O)(=O)C1 14199057 YZCDLTWZACLXMS-NSHDSACASA-N 387.914 2.542 0 40 GFAB Cc1nnc(SCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)s1 14240814 BEAHHOHUUXPMDR-UHFFFAOYSA-N 382.942 2.936 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1 6581343 MWYRXJJHXORZQX-UHFFFAOYSA-N 378.837 2.740 0 40 GFAB Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)NC[C@H]1CCCO1 6590384 HTOROICVPMYXKD-GFCCVEGCSA-N 389.502 2.790 0 40 GFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)Cc2ccccc2)CC1 4711701 ILWAWFCBLPWSNH-UHFFFAOYSA-N 381.476 2.796 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NCCC(=O)O)CC2 6760505 FZIOSXBODCLKPF-HXUWFJFHSA-N 384.432 2.836 0 40 GFAB biogenic COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 6746537 KRSXCSISORLPPK-CQSZACIVSA-N 392.452 2.874 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 4834699 IFXNLWGISLOJJV-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9237897 OYLYIIDKNPKCCH-IRXDYDNUSA-N 381.461 2.993 0 40 GFAB Cc1ccc(CCC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c(C)c1 96001774 LCHBNJMXSYASGB-SFHVURJKSA-N 395.463 2.620 0 40 GFAB O=C(COc1ccc(C2SCCS2)cc1)NCc1nnc2ccccn12 7898798 BHBMBZBOBGZUIQ-UHFFFAOYSA-N 386.502 2.903 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccc(F)cc2)C2CC2)c1=O 8132191 CDGDCJFNLYKQIB-UHFFFAOYSA-N 395.434 2.513 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)Nc1ccnn1C1CCCC1 8187155 KYOJCLGVSAXLEN-UHFFFAOYSA-N 389.510 2.825 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc(S(C)(=O)=O)cc1)O[C@@H](C)C2 8271812 NKHQTBQNWWHBHX-ZDUSSCGKSA-N 389.473 2.742 0 40 GFAB O=C(Nc1nncn1Cc1ccccc1)[C@H]1CCCN1C(=O)C1CCCCC1 95398280 AEZSUKJPSSVVLA-GOSISDBHSA-N 381.480 2.836 0 40 GFAB COc1cc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc(OC)c1OC 95464369 XSRJVANTKIOOLU-FQEVSTJZSA-N 375.396 2.585 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 95469845 JNLMUWDUSQXGSH-BFUOFWGJSA-N 379.416 2.500 0 40 GFAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2n[nH]c(CCc3ccccc3)n2)n[nH]1 95476681 AOUFBAWYJWQNHP-UHFFFAOYSA-N 390.451 2.583 0 40 GFAB O=C(N[C@H]1CCN(C2CCCC2)C1)[C@@H]1CCCN(C(=O)c2cccs2)C1 89799908 FIANRUOZJRHWAN-CVEARBPZSA-N 375.538 2.733 0 40 GFAB COc1ccccc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 408619153 MONZDDFDZYMXEH-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB COc1cccc(-n2nnc(C(=O)NCc3cccnc3)c2-c2ccncc2)c1 67261800 LDNKQDQFKVWMGE-UHFFFAOYSA-N 386.415 2.663 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1F 62022853 METUCIJUTLEXHY-HNNXBMFYSA-N 380.427 2.965 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)NC1CCCC1 35313030 UYEGJULUJJYSLP-INIZCTEOSA-N 387.509 2.670 0 40 GFAB CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 72389120 WTNINDLJBJDDLJ-JOCHJYFZSA-N 384.451 2.774 0 40 GFAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)cc1 35312292 NHMVKYQBIZFZAW-UHFFFAOYSA-N 384.436 2.949 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(CN3CCCC3)c2)c1 32445769 HODVXCMQEAAOEJ-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB COc1cccc(CN2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1OC 72395809 DOMFUIHPIUZHIJ-XXBNENTESA-N 394.471 2.863 0 40 GFAB CS(=O)(=O)c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)c(C(=O)O)c1 566807506 CVVQRQAWICJRKS-OAHLLOKOSA-N 376.430 2.761 0 40 GFAB COc1ccc(S(=O)(=O)CCNCc2ccc3c(c2)CC(C)(C)O3)cc1 72391770 KRNRXFMOYISDOI-UHFFFAOYSA-N 375.490 2.972 0 40 GFAB Nc1ncnc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ccc12 72374623 IIIQXAVXJLCESM-MRXNPFEDSA-N 387.440 2.662 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(Br)cc2)n1 32593592 STXPNWCNHZJGBR-UHFFFAOYSA-N 391.630 2.515 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c(F)c1 219437981 PCVOWDRKKCKETM-UHFFFAOYSA-N 380.372 2.528 0 40 GFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)cc2)cc1 224683411 DGZLCLPEZVEQKC-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cccc(Br)c1 40080633 RVLZLZPULKOPAJ-UHFFFAOYSA-N 388.221 2.753 0 40 GFAB C[C@H](NC(=O)C1CCN(Cc2nccn2C)CC1)c1ccc(-n2ccnc2)cc1 43284988 AOBFBOFMCLYKOM-KRWDZBQOSA-N 392.507 2.695 0 40 GFAB COc1cc(NC(=S)N2CCN(C3CCSCC3)CC2)cc(OC)c1 225216085 YDDGTNJGGPIJKB-UHFFFAOYSA-N 381.567 2.914 0 40 GFAB CCCSc1nnc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)s1 224826215 ANIJJNNJALOBTK-UHFFFAOYSA-N 387.508 2.769 0 40 GFAB C[C@H](COc1ccccc1)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224386108 MTXXNYIADHZPDI-MRXNPFEDSA-N 388.489 2.814 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)cc1 222664531 BIHISJDWGXWRNG-UHFFFAOYSA-N 394.468 2.551 0 40 GFAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 224483883 BRSYJPDPUQACDW-QAPCUYQASA-N 382.526 2.855 0 40 GFAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O 96036500 WKLXQKGAHMHYFN-QFIPXVFZSA-N 387.499 2.509 0 40 GFAB O=C(CCc1ccccc1)N1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2C1 96081052 VONZBURFSDSPKI-SFTDATJTSA-N 398.528 2.539 0 40 GFAB CC(C)CC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 96251439 GTMHSKUPSUQKCD-CVDCTZTESA-N 398.551 2.699 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCSCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596558 SRWOMQHWEUBBOO-ZEPOWFQYSA-N 386.517 2.907 0 40 GFAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cnc(C)nc3)CCO2)n1 257243603 IHSSRGXLOVHJET-IBGZPJMESA-N 393.447 2.920 0 40 GFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)cc1 256049123 YGXBJJDYIZWUFV-UHFFFAOYSA-N 377.448 2.596 0 40 GFAB COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 257259806 LACUKZXPOVJESI-QGZVFWFLSA-N 397.523 2.859 0 40 GFAB CCOC[C@H](O)CN1CCN(Cc2nc3ccccc3c(C)c2Cl)CC1 592266470 XPWXKGRDDVGQLR-MRXNPFEDSA-N 377.916 2.712 0 40 GFAB Cn1cc([C@@H]2CCCCN2S(=O)(=O)c2ccnn2CCc2ccccc2)cn1 621284119 JDLBQGBVFZNTOA-IBGZPJMESA-N 399.520 2.775 0 40 GFAB COc1cc2nc(N3C[C@H](CC(F)(F)F)O[C@H](C)C3)nc(N)c2cc1OC 664637498 CXMPEQNHVYJYLB-ZJUUUORDSA-N 386.374 2.775 0 40 GFAB Cc1ccc(-c2nc(C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)cs2)n1C 683577178 AXRJNOGCFQOBEO-CQSZACIVSA-N 384.509 2.589 0 40 GFAB O=C(N1CC2(C[C@H](Oc3cnccn3)CCO2)C1)C12CC3CC(CC(C3)C1)C2 575406132 WLFCTDUHRSTIHS-IGDKPHCXSA-N 383.492 2.832 0 40 GFAB CC(=O)N1CCCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccccc2C)CC1 585282853 INKUWGRQDOLUMC-VXKWHMMOSA-N 385.552 2.802 0 40 GFAB Cc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1 5003407 OGOOAJPJYFTVEY-UHFFFAOYSA-N 396.402 2.508 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 5298841 KQJCGQBRPHEZCS-OAHLLOKOSA-N 378.475 2.743 0 40 GFAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 12499828 SNLXIUJNFULCMI-UHFFFAOYSA-N 385.489 2.975 0 40 GFAB CCN(CC)CCNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 12763733 NUKXJTLKXJSTFM-UHFFFAOYSA-N 398.532 2.891 0 40 GFAB CC[C@H]1CCc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1 12767601 GPWRKMFZEVBAKD-ZDUSSCGKSA-N 392.546 2.883 0 40 GFAB COc1cccc(CN2[C@H]3CCC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1 19131343 ABJIKTQFPVRRND-QIDMFYOTSA-N 383.492 2.509 0 40 GFAB Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)c4cc[nH]n4)CCNC3=O)cc2)c1 19235416 XIFZCSXUEUFKNP-FQEVSTJZSA-N 388.471 2.816 0 40 GFAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)c1cc[nH]n1 19340545 JMGXWUXPWPLQBJ-UHFFFAOYSA-N 376.395 2.904 0 40 GFAB CCOc1cc(CCC(=O)N2CCC(c3cc4ncc(C)nc4[nH]3)CC2)on1 19532322 RFPOJODMRIIGBO-UHFFFAOYSA-N 383.452 2.992 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 19555155 VCSWDTDOUOQIFC-KRWDZBQOSA-N 399.491 2.660 0 40 GFAB Cc1ccccc1OC1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 19664336 HHXOQOITWGQPNT-UHFFFAOYSA-N 380.448 2.647 0 40 GFAB CCc1nccn1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19523485 NRHJDJFQQZVERP-UHFFFAOYSA-N 382.508 2.768 0 40 GFAB O=S(=O)(N[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CC1 1888876043 FXIIUMUHLSRIJG-JTQLQIEISA-N 383.823 2.804 0 40 GFAB CCN1C[C@H](CN(C)CC(=O)Nc2cc(OC)cc(OC)c2)Oc2ccccc21 21672400 WFHKNOBBKDFJGE-IBGZPJMESA-N 399.491 2.862 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)cc3C)CC2=O)cc1 9035905 HDNYOXZJSNOSMR-MRXNPFEDSA-N 388.489 2.643 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2ccccc2F)CN1c1ccc(Cl)cc1 9036756 CCRNNXMMVPDZHJ-GFCCVEGCSA-N 382.844 2.811 0 40 GFAB COc1ccccc1OCC(=O)NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 9100457 JCCLZBNZDUVHSR-OAHLLOKOSA-N 390.823 2.869 0 40 GFAB COc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1 12443174 ZCJTZGNQBURIMV-UHFFFAOYSA-N 389.415 2.609 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 2055718113 QSIPTEAYJAUNFS-DLBZAZTESA-N 395.550 2.591 0 40 GFAB COc1cccc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)c1OC 20950260 BMZQZPQZQUXPSJ-MRXNPFEDSA-N 376.478 2.569 0 40 GFAB Cc1cc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n2nc(C)cc2n1 1775974558 JESMUUYBQGXYOP-UHFFFAOYSA-N 386.463 2.525 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1775969336 LYTFFVMMFGDETM-INIZCTEOSA-N 376.478 2.878 0 40 GFAB CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)Cc3cccs3)o2)cc1 36674886 WLOKZGHCJUXWPH-UHFFFAOYSA-N 377.447 2.773 0 40 GFAB O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)Nc1ccccc1 49008709 QUMIBRKHKLYLLL-UHFFFAOYSA-N 395.806 2.975 0 40 GFAB O=C(O)/C=C/C(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)c1 13576279 JVGKQALPJVBTBS-SCOAYWHSSA-N 396.424 2.690 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)COc3ccccc3Cl)CC2)C[C@H](C)O1 40090540 CZXVRHFVYYRYHL-GJZGRUSLSA-N 394.899 2.593 0 40 GFAB Cc1nn(CC(=O)N(Cc2cccnc2)Cc2ccco2)c(=O)c2ccccc12 40050529 FOVPGKCRRLLBGV-UHFFFAOYSA-N 388.427 2.922 0 40 GFAB O=C(Nc1ccccc1)c1cccc(CNC(=O)c2cccnc2-n2cncn2)c1 40108891 FQEJPBHPJSNUAA-UHFFFAOYSA-N 398.426 2.845 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 21330178 TVHOIRIINNYWQO-UHFFFAOYSA-N 388.537 2.774 0 40 GFAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-n2cncn2)nc1 32769358 DINCBRBEGZNYNG-UHFFFAOYSA-N 393.432 2.995 0 40 GFAB CN(Cc1ccc(Br)cc1)[C@H](C(=O)NC(N)=O)c1ccccc1 21581271 SSFYAEDHZUNHHS-HNNXBMFYSA-N 376.254 2.817 0 40 GFAB Cc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1C 932460 ICLDGOZFKSEEKA-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB CC(C)OCCOC[C@H](O)CN(C)C(=O)CCCc1nc2ccccc2s1 78986946 AJEPNXIJOUWTGT-MRXNPFEDSA-N 394.537 2.880 0 40 GFAB COc1cc(NC(=O)CNc2c(C)cccc2C(N)=O)c(OC)cc1Cl 78999194 FYTKKBRSUCDOCZ-UHFFFAOYSA-N 377.828 2.815 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)cc2OC)n1 1940492 PSKYXMKFPKFHIR-SOFGYWHQSA-N 376.434 2.918 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H](O)COc1cccc(F)c1 32933086 WDTFWEOXOUUEQI-MRXNPFEDSA-N 386.427 2.629 0 40 GFAB CC[C@H](C)NC(=O)CSc1nnc(SCC(=O)N[C@@H](C)CC)s1 3575647 SSQWPHKSDSYBND-UWVGGRQHSA-N 376.573 2.552 0 40 GFAB CC(=O)N1c2ccc(S(=O)(=O)N3CCc4sccc4C3)cc2C[C@H]1C 21890855 UFPFSNSQLHMXJW-GFCCVEGCSA-N 376.503 2.793 0 40 GFAB C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 6560420 CLUYODXPMILMOH-LBPRGKRZSA-N 386.395 2.861 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2ccccc2oc1=O 22465814 MIMHRNSTEVZXAK-INIZCTEOSA-N 384.457 2.658 0 40 GFAB Cc1ccc(-c2csc3ncn(CC/C(O)=N/S(C)(=O)=O)c(=O)c23)cc1 42279520 XYSXPJLYWDIOPU-UHFFFAOYSA-N 391.474 2.740 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(NC3CCCCC3)s2)CC1 23174824 VCUBVWBVOIHUJG-CYBMUJFWSA-N 383.587 2.927 0 40 GFAB CCOCc1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2ccco2)cc1 23149286 NNRSZYADSPOBIL-KRWDZBQOSA-N 390.505 2.984 0 40 GFAB CCNc1nc(NC(C)C)nc(S[C@H](C(C)=O)C(=O)Nc2ccccc2)n1 985036 UBIAHDHDUHBEJS-CQSZACIVSA-N 388.497 2.812 0 40 GFAB COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(c4ccc(Cl)cc4)NN32)cc1 940672 UWYPCWBQOSGQEC-KRWDZBQOSA-N 395.850 2.786 0 40 GFAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1F 24210227 PKMXIYRFWGNOJR-QGZVFWFLSA-N 398.887 2.831 0 40 GFAB COc1cc(NC(=O)c2ccco2)c(C(=O)OC[C@@H]2CCCO2)cc1OC 24536313 IENAKFOOYWMEOG-LBPRGKRZSA-N 375.377 2.885 0 40 GFAB COCCOCc1cccc(NC(=O)N2CCN(c3nccs3)CC2)c1 47591087 MCAXSOMYAPXGSB-UHFFFAOYSA-N 376.482 2.660 0 40 GFAB Fc1ccc([C@@H](CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)N2CCOCC2)cc1 103190469 YEABGOAQHOLJOV-YCEFEEMOSA-N 377.529 2.852 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 22327463 PNUMPOCHPJCUNE-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB Cc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)no1 57486541 JKTFLETWCMTCSH-UHFFFAOYSA-N 392.419 2.641 0 40 GFAB COC(=O)c1cc(NC(=O)c2cccnc2N2CCOCC2)ccc1Cl 26883138 NHYHPBLCAQZDRY-UHFFFAOYSA-N 375.812 2.611 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)C1 3294288 FDWYWWPFGDFIGT-RYUDHWBXSA-N 379.917 2.909 0 40 GFAB CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 27339050 AWSZGOLRZICRDX-QLFBSQMISA-N 382.526 2.890 0 40 GFAB CCN(CC)[C@@H](CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C)c1ccco1 58279103 XQLPFTNSZBQEDK-MAUKXSAKSA-N 375.469 2.826 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 108859133 NJTIPEZDFSWMHQ-PWNZVWSESA-N 392.525 2.877 0 40 GFAB COc1ccc(OC)c(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c1 58315319 UEBUQGQWYJRZPV-MRXNPFEDSA-N 397.475 2.653 0 40 GFAB Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccco1 2369192 QDEPWHYXSGQDLS-UHFFFAOYSA-N 394.254 2.745 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 11144384 GLRPSRPDYWAUBX-GFCCVEGCSA-N 380.853 2.901 0 40 GFAB CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2C1 45874327 JOGVCXVHRBRXEA-ZDUSSCGKSA-N 389.521 2.713 0 40 GFAB O=c1oc2cc(S(=O)(=O)N3CCCCC3)ccc2n1Cc1ccccc1F 11689655 RIVKEZNWYVMGEI-UHFFFAOYSA-N 390.436 2.957 0 40 GFAB CCOC(=O)/C=C1\SCC(=O)N1[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 12734514 IAKMRFRQWAGNKJ-CIKBWMHTSA-N 376.478 2.919 0 40 GFAB CCOc1ccc([C@H](CNC(=O)c2ccsc2)N2CCOCC2)cc1OC 12816090 OVVTUIRWJHJIPF-KRWDZBQOSA-N 390.505 2.959 0 40 GFAB COc1cc(CNCCNC[C@@H](C)O)cc(Cl)c1OCc1ccccc1 22075714 GEBUBDWJNXUDKS-OAHLLOKOSA-N 378.900 2.988 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1 5100357 MPCQATFOQHUAHA-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc2c(c1)OCCO2 19080107 HHFXKKNXJOTELP-JTQLQIEISA-N 377.447 2.502 0 40 GFAB Cc1nn(C(F)F)c(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1 65533081 WSSASTPGPIIULX-UHFFFAOYSA-N 384.471 2.589 0 40 GFAB CCOc1ccc(Cn2c(O)cc(=O)n(Cc3ccc(OCC)cc3)c2=O)cc1 27792824 OKFXTPTXYPGKHO-UHFFFAOYSA-N 396.443 2.610 0 40 GFAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505432 VINOAMSBEGKXQK-INIZCTEOSA-N 387.567 2.962 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 4523407 RJUIPKNWBWNZST-LBPRGKRZSA-N 384.465 2.819 0 40 GFAB Cc1cc(C)n(CCCNC(=O)CSc2nc3ncc(Cl)cc3[nH]2)n1 6582445 JZLHHZOLDKZSAA-UHFFFAOYSA-N 378.889 2.723 0 40 GFAB COc1cc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1 6503666 SXDFRBAMLFDTNA-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB O=C(N1CCCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 14849017 OYBMHEKFLKNRIN-UHFFFAOYSA-N 392.308 2.516 0 40 GFAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1cccc(Cl)c1 4852412 JNXSCWFVBYWXHL-UHFFFAOYSA-N 385.811 2.586 0 40 GFAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)c(C)c1 9089068 CPBQXOMGGKDPCD-UHFFFAOYSA-N 397.508 2.527 0 40 GFAB COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C 7656620 CLKWOAFCCDJBLG-JTQLQIEISA-N 380.832 2.892 0 40 GFAB O=S(=O)(c1ccc(Nc2ccc3c(c2)OCCCO3)nc1)N1CCCC1 8026445 PIKIKZYXKBBPSR-UHFFFAOYSA-N 375.450 2.771 0 40 GFAB CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 72400969 SFCNRSLGOSBPFZ-UHFFFAOYSA-N 395.440 3.000 0 40 GFAB Cc1nn(C)c2c(N3CCN(C(=O)c4cccs4)CC3)nc(C(C)C)nc12 28557693 ZBFQRFYLLKHRSO-UHFFFAOYSA-N 384.509 2.819 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)c(Cl)c1 408555819 GPZROQNGGRPNDF-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB Cc1cc(O)nc(N2CC[C@H](Nc3nc(-c4cccnc4)nc4c3CCC4)C2)n1 1515968221 BMHUDSVEVPHQEZ-HNNXBMFYSA-N 389.463 2.522 0 40 GFAB C[C@@H]1CCn2ncc(C(=O)N(CCC(=O)O)Cc3ccc(F)c(F)c3)c2C1 517377085 GWZAWXUSPOUQIO-GFCCVEGCSA-N 377.391 2.861 0 40 GFAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1n[nH]c2ccccc12 79474579 NXFPMXLUYJBUHW-UHFFFAOYSA-N 376.420 2.867 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@@H](CC(C)C)C(=O)O)cs2)cc1OC 32124024 NFXMYEZYUNFDEX-AWEZNQCLSA-N 392.477 2.985 0 40 GFAB biogenic CCO[C@H]1C[C@H](NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C12CCC2 152497211 VWOMVCPSBZHZLN-ROUUACIJSA-N 385.439 2.758 0 40 GFAB CS(=O)(=O)NCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc12 32760700 QARJWSDGDCPPIO-UHFFFAOYSA-N 382.898 2.973 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](CCc2ccnc(Nc3ccccn3)c2)C1 72378208 YLWMRFFFDFSOHC-KRWDZBQOSA-N 389.525 2.671 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223254754 WHJNHCBANGPUCN-VQTJNVASSA-N 392.532 2.801 0 40 GFAB Cc1ccccc1[C@H](C(=O)O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 569981900 WVGXHKFTJSSOSI-LJQANCHMSA-N 388.489 2.517 0 40 GFAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(=O)c3ccccc3o2)n1 77101089 MWUUGXQUHWUWSY-UHFFFAOYSA-N 377.322 2.883 0 40 GFAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)O 49590452 OJAMRDNMKDIZPM-RDJZCZTQSA-N 384.476 2.780 0 40 GFAB biogenic,in-vitro Cc1noc(-c2csc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)c2)c1C 44919407 QDXWYJRJMUEBNH-UHFFFAOYSA-N 377.447 2.920 0 40 GFAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 224702152 KCFAWLXGNXTLGA-GFCCVEGCSA-N 382.511 2.952 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)c1csc2ccccc12 225696480 OJBFKMOCCSBICK-GFCCVEGCSA-N 397.499 2.761 0 40 GFAB COc1ccc(Cc2nc(NC(=O)c3cn(C)c(=O)c4ccccc34)n[nH]2)cc1 95480781 KRFFZVPWSYNJEZ-UHFFFAOYSA-N 389.415 2.508 0 40 GFAB COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(CC(C)C)CC3)O2)c1 96262967 IAWVFPSNXITHAN-IBGZPJMESA-N 398.507 2.876 0 40 GFAB CC1(C)OC(=O)C[C@@H]1C(=O)NCC1(Cc2nnc3ccccn23)CCCCC1 95477594 LKYFQLSXODSWDH-OAHLLOKOSA-N 384.480 2.680 0 40 GFAB CCCc1cc(C(=O)N2CCO[C@@H](c3ccc(Nc4cnccn4)cn3)C2)no1 257314476 UXDYOQZDZHVSTO-GOSISDBHSA-N 394.435 2.769 0 40 GFAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 604854198 OBOUZHOBDAYYJG-INIZCTEOSA-N 392.521 2.659 0 40 GFAB COc1ccc2ccccc2c1CNC(=O)N1CC(OCc2nc(C)no2)C1 585088623 HMLUBGXXENLLCP-UHFFFAOYSA-N 382.420 2.650 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc(F)c1 5065591 HBNGTLOTIJVEOK-ABAIWWIYSA-N 378.425 2.664 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCc2nc3ccccc3c(=O)n2CC1 12087613 KIRWGJGWTBIGGQ-UHFFFAOYSA-N 391.456 2.547 0 40 GFAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCCN3CCCc4ccccc43)N2C=C1 12148400 NVBCKYUYFGLGEM-HSZRJFAPSA-N 392.503 2.809 0 40 GFAB Cc1cccc(C2(O)CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)c1 12290215 VHGKHKVQSHVIAE-UHFFFAOYSA-N 378.472 2.851 0 40 GFAB CCNC(=O)COc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OC 12887310 YQAYUAHFZUSYJG-BOPFTXTBSA-N 394.427 2.863 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OC)ccc1OC 14291939 VCUGXNBUJRLLLH-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCC(C)CC1 14400922 SUSLKXLDNPKOFY-UHFFFAOYSA-N 394.537 2.988 0 40 GFAB Cc1nc(N)c2ccc([C@@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc2n1 19743326 MFTVHRQUAQZFDV-CQSZACIVSA-N 394.454 2.873 0 40 GFAB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 8371238 SUMOEEISYKGYQN-UVTDQMKNSA-N 381.344 2.811 0 40 GFAB O=c1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)nc2ccccn12 1888903762 SITYTYZQVYNABV-UHFFFAOYSA-N 398.417 2.626 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)c4cncc(F)c4)C[C@H]3C2)nc2ccccc21 1888913885 INPZCIFAUCWWHV-IYBDPMFKSA-N 379.439 2.799 0 40 GFAB CCc1cc2c(=O)n(NC(=O)/C=C/c3cc(OC)cc(OC)c3)cnc2s1 29027523 JGWYMKSANBUSOK-AATRIKPKSA-N 385.445 2.821 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 32995771 HYSXDVHRJOLNSW-QFBILLFUSA-N 383.448 2.789 0 40 GFAB CCc1noc(CCC(=O)N2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)n1 2037913034 MCPBAKPBQAKVBH-OAQYLSRUSA-N 387.480 2.614 0 40 GFAB O=c1cc(N2CCC(COc3cc(C4CC4)ncn3)CC2)nc2ccccn12 1565519338 LTPQMWATNRALGY-UHFFFAOYSA-N 377.448 2.657 0 40 GFAB Cc1cccc(NC[C@H]2CO[C@]3(COCCN(C(=O)C4(F)CCC4)C3)C2)c1 1565548091 QWDJDEMVDPQORU-FXAWDEMLSA-N 376.472 2.933 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2C1=O 9828211 FMWMUBYGOVJGAR-UHFFFAOYSA-N 390.461 2.659 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1F 17120981 VQVQABUXPXGPQQ-HXUWFJFHSA-N 399.466 2.652 0 40 GFAB CCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-n2nc(C)cc2C)n1 22698862 DYUSOMQSPZBITQ-UHFFFAOYSA-N 385.855 2.900 0 40 GFAB O=S(=O)(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccc2c(c1)CCO2 1775969684 GGULCZDYMNDDAC-OAHLLOKOSA-N 391.470 2.955 0 40 GFAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)Nc3cccnc3)cs2)cc1 23136668 UTNSUMDCUHSYML-UHFFFAOYSA-N 388.474 2.866 0 40 GFAB Cc1cc2c(cc1NC(=O)c1cc(-c3ccccc3)[nH]n1)N(C)S(=O)(=O)N2C 575611905 IDVMEHMERKLUJU-UHFFFAOYSA-N 397.460 2.768 0 40 GFAB O=S(=O)(NCCn1cc(-c2ccncc2)cn1)c1ccc2c(c1)CCCC2 575613054 UEQSRLHSXOHTIC-UHFFFAOYSA-N 382.489 2.802 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c1 19235137 UBMFEUBGOUZGSZ-IBGZPJMESA-N 380.492 2.952 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccccc2)cc1 20068773 RTUQKAFUTSYXLN-MSOLQXFVSA-N 395.488 2.671 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCC2)cc1 20068834 GMDTWEADPFJHQL-IRXDYDNUSA-N 387.509 2.757 0 40 GFAB CN1CCN([C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)CC1 20150010 PQXMMIUUDJYQIZ-KIUWMYQTSA-N 376.715 2.760 0 40 GFAB CC/C(NCCCN(CC)CC)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20267008 CHBYPOVXTCRDJE-FBMGVBCBSA-N 386.496 2.563 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)Cc3ccc4c(c3)OCCO4)cn2)n1 46311997 NKZZXRIBOMYFLS-UHFFFAOYSA-N 378.432 2.514 0 40 GFAB COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)/C2=C\N1CCOCC1 32843655 RVZRZPZIEAIXOE-JXAWBTAJSA-N 394.427 2.564 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)NC1CCCC1 905304 WSVWXTNTFMEIKD-AWEZNQCLSA-N 376.482 2.868 0 40 GFAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cnn1-c1ccccc1 12167209 JNNGGXFLIDAUES-UHFFFAOYSA-N 396.472 2.874 0 40 GFAB O=C1N[C@@H](c2ccc(O)cc2)[C@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 4898588 MPEPRMHZBVKOIL-KEYYUXOJSA-N 398.312 2.635 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1 21932470 RHVCEUZTNDSSCG-UHFFFAOYSA-N 383.404 2.604 0 40 GFAB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 6296350 JSMKMOJNLLXVNG-UHFFFAOYSA-N 387.363 2.896 0 40 GFAB CCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2N)ccc1Cl 6630365 WOWNCHMAYYWZGB-UHFFFAOYSA-N 376.796 2.894 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 6818286 UKLLYFRBGZMHTR-UHFFFAOYSA-N 392.437 2.755 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(OC)cc2)cc1 6880251 LZLXIQORGALNSW-UHFFFAOYSA-N 390.505 2.633 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1C 6912271 PZSGLASIXSIXIO-UHFFFAOYSA-N 390.461 2.639 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2ccccc2c1 102272465 YMZYRHLVXIIJER-QZTJIDSGSA-N 379.412 2.741 0 40 GFAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cccc(Cl)c1 17112785 NNPLYAHWNZSVAF-UHFFFAOYSA-N 386.839 2.515 0 40 GFAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1nc2ccccc2[nH]1 22315686 PPPOKFMYWNBWOQ-NSDYXAQKSA-N 394.519 2.943 0 40 GFAB O=C(O)c1cc(NC(=S)NC(=O)c2ccccc2Br)ccc1O 20151759 BNSFEJWFNDZSQQ-UHFFFAOYSA-N 395.234 2.980 0 40 GFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc3c(cc2OCC)OCO3)C1=O 981287 KMXYCFJFTPKVEW-VNCYPQDWSA-N 393.417 2.802 0 40 GFAB CN(c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1)S(C)(=O)=O 9694958 BMODTHGTTHVVQI-UHFFFAOYSA-N 388.898 2.678 0 40 GFAB COCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 12507913 KCJDUPKVYWNSQN-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C 3299426 HTFLFHNBDXCEQG-LALPHHSUSA-N 378.469 2.906 0 40 GFAB CCCCN(C)C(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489674 FLSSDJOXIDZYIO-UHFFFAOYSA-N 385.489 2.781 0 40 GFAB Cc1ccc2c(c1)N(C(=O)Cn1c(-c3ccccc3)nc(C)cc1=O)CCO2 57526502 YBIGVPOYUFUOLC-UHFFFAOYSA-N 375.428 2.953 0 40 GFAB Cc1nc2ccc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc2nc1C 58158536 CGOSOUMNIMUGNT-UHFFFAOYSA-N 378.432 2.966 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cccc(F)c1 2179488 SLNVTMWNXKPIEW-UHFFFAOYSA-N 396.509 2.641 0 40 GFAB O=C(c1cncnc1)N1CCC[C@H](Cn2cc(-c3cc(F)cc(F)c3)nn2)C1 48175385 MGOGVCOYIKONNN-ZDUSSCGKSA-N 384.390 2.566 0 40 GFAB O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(-n2cncn2)nc1 48289005 TXSIIEKMIQEIOM-UHFFFAOYSA-N 388.431 2.956 0 40 GFAB COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O 22362744 UUNMXPBMSBFZNW-INIZCTEOSA-N 390.505 2.955 0 40 GFAB C[C@@H](NC(=O)CCN1CCN(CCOc2ccccc2)CC1)c1ccccc1 28883636 ZETWVPGMMHIPFC-HXUWFJFHSA-N 381.520 2.951 0 40 GFAB COc1ccc(-c2nc(CN(C)S(=O)(=O)c3c(C)noc3C)co2)cc1 12748156 UFIJVERIIIQBRS-UHFFFAOYSA-N 377.422 2.776 0 40 GFAB O=C(OCc1csc(-c2ccccn2)n1)[C@H]1CCCN(c2ncccn2)C1 45994953 POMCPXNDNTXFOG-AWEZNQCLSA-N 381.461 2.955 0 40 GFAB Cc1cc(SCC(=O)N2CCC(C(N)=O)CC2)c(C)cc1Br 12732675 XRNUESNOEPXABL-UHFFFAOYSA-N 385.327 2.882 0 40 GFAB Cc1cc(Br)c(O)c(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c1 62386263 PWCIVRMFFNLXHL-UHFFFAOYSA-N 396.241 2.609 0 40 GFAB O=C(CSc1nnnn1C1CC1)NCCSCc1ccc(Cl)cc1 12857019 RGXAAZOPSMKMMH-UHFFFAOYSA-N 383.930 2.803 0 40 GFAB CCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 3558574 MVRYMEUTGJTZQD-UHFFFAOYSA-N 382.511 2.944 0 40 GFAB COC(=O)CCSCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 12996494 IJBKRHKRHGMTQQ-UHFFFAOYSA-N 379.478 2.640 0 40 GFAB Cn1cc(OCc2ccccc2Cl)c(=O)cc1C(=O)N1CCSCC1 49548207 LWIGMZLUOAHYGZ-UHFFFAOYSA-N 378.881 2.807 0 40 GFAB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCC(C)CC1 4165777 XLCCEMHGZCXMFF-OTMARIDSSA-N 396.578 2.957 0 40 GFAB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(-n2ccnc2)cc1 18049143 BZHADTUAILBVDJ-AWEZNQCLSA-N 384.461 2.735 0 40 GFAB Nn1c(Cc2ccccc2F)nnc1S[C@H](C(=O)NC1CC1)c1ccccc1 8724162 YWADVFICJMWMNM-SFHVURJKSA-N 397.479 2.834 0 40 GFAB CC(=O)c1ccc(C(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1 4746875 JHHZLVMQDJRITG-UHFFFAOYSA-N 379.441 2.992 0 40 GFAB CCOc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@](O)(C(F)(F)F)C2)cc1 4942629 AAVPYLZVYSTNFJ-MRXNPFEDSA-N 381.358 2.631 0 40 GFAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 27799388 HWLZIFKXOLSPLI-UHFFFAOYSA-N 393.321 2.889 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cnc4ccccc4n3)sc2c1 7209542 BVCFMJDIHQACIX-UHFFFAOYSA-N 384.442 2.895 0 40 GFAB CNC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2O1 7252941 RMPYHGUUZKRFME-MRXNPFEDSA-N 394.258 2.946 0 40 GFAB COc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1Br 7471661 DBBKYLKDMUOZFZ-UHFFFAOYSA-N 382.235 2.802 0 40 GFAB COc1cc(Br)c(CSc2n[nH]c(=O)n2C2CC2)cc1OC 7783075 FFUOWMUKQYYDJN-UHFFFAOYSA-N 386.271 2.978 0 40 GFAB NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)Nc2ccc3c(c2)OCCO3)c1 68579070 JJDSCZDJOURSHS-KRWDZBQOSA-N 396.447 2.552 0 40 GFAB Cc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1 8052439 CWSGNXWCYBAFSU-UHFFFAOYSA-N 399.472 2.750 0 40 GFAB COc1ccc2nnc(CCCC(=O)Nc3nc(-c4cccnc4)cs3)n2n1 72404612 MYSRETCAWDFVJL-UHFFFAOYSA-N 395.448 2.613 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc(-c2ccccn2)cs1 9657926 RZLDVDKPPVXCKC-UHFFFAOYSA-N 385.474 2.970 0 40 GFAB COCCCNC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 62001746 HFHPHPSFZNBNEN-AWNIVKPZSA-N 391.464 2.801 0 40 GFAB biogenic O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 89775026 WCKDOVYTZFNDLH-CRAIPNDOSA-N 379.428 2.800 0 40 GFAB CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870402 QLEVUDCHBNTLMD-UHFFFAOYSA-N 390.461 2.712 0 40 GFAB COc1ccc(-c2cnc3n2C[C@]2(CCN(C(=O)c4ccoc4)C2)OC3)cc1 306134309 NIQVHHNJTFFUQT-OAQYLSRUSA-N 379.416 2.967 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 36140816 YCMRVDSXSPKUOV-UHFFFAOYSA-N 378.476 2.818 0 40 GFAB COc1cccc(N2CCN(C(=O)NCc3nc4cc(C)ccc4n3C)CC2)c1 549174071 XMVMQZPTLITZIC-UHFFFAOYSA-N 393.491 2.922 0 40 GFAB C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1 219445589 VFHSNWALZYCFDQ-CYBMUJFWSA-N 390.436 2.628 0 40 GFAB COC(=O)c1cc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl 224842118 NXMYSGQFHYBOAM-UHFFFAOYSA-N 397.836 2.723 0 40 GFAB C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 223857203 PVZHFFSICSMRHT-GFCCVEGCSA-N 387.910 2.924 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 223273308 YDILWXCDTLRTAU-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC 222536521 XIGOCIPYGBFDJJ-CQSZACIVSA-N 390.867 2.891 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3cc(OC)ccc3c2)CC1 41095826 BLNKIRGPOCJMCD-UHFFFAOYSA-N 377.462 2.812 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)COc2ccc(C)cc2)ccc1C 225079985 FUEPTLLPZAXWGY-HNNXBMFYSA-N 377.462 2.836 0 40 GFAB COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225097761 FFAXBXHVBIVJRG-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 225737865 ROAKOBQXPDEMFY-NSHDSACASA-N 385.442 2.738 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)cc1 222813449 VFZKCXHCLHOTBE-INIZCTEOSA-N 384.476 2.800 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344304 AGNZVNGKFKRIFC-HNNXBMFYSA-N 387.443 2.756 0 40 GFAB CCN1CC[C@]2(CN(CCOC)CC23CCN(Cc2ccsc2)CC3)C1=O 97952883 ZVYMVEFKYGZXTA-NRFANRHFSA-N 391.581 2.531 0 40 GFAB CN(C)S(=O)(=O)N1CCC(C)(c2ncc(Cc3cccc(F)c3)o2)CC1 257335949 YMNFASVJLVLHNA-UHFFFAOYSA-N 381.473 2.564 0 40 GFAB CC[C@H]1OC2(CCN(C(=O)CCc3nc(C)c(-c4ccccc4)o3)CC2)NC1=O 1615588225 ADZJKISEWGPZTM-QGZVFWFLSA-N 397.475 2.826 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1 96098823 QCDIEXVILJNEFL-UHFFFAOYSA-N 386.477 2.631 0 40 GFAB O=C(CSCc1ccccc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96121859 JQBLKRVXQXSDGU-UHFFFAOYSA-N 379.478 2.744 0 40 GFAB O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 96378586 GHTVVUZKBYXOGO-UHFFFAOYSA-N 395.905 2.600 0 40 GFAB O=C(NCCCn1ccc2cccnc21)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 96353414 CBVQISIKUFZBTM-INIZCTEOSA-N 380.423 2.735 0 40 GFAB Cc1noc(C)c1CN1CCC[C@@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 585100711 UKRVQQIEBXUZRS-OAQYLSRUSA-N 390.528 2.507 0 40 GFAB O=C(c1cc(S(=O)(=O)N[C@@H]2CCc3c(Cl)cccc32)c[nH]1)N1CCCC1 57021560 PCOIOCIKVSPWFJ-MRXNPFEDSA-N 393.896 2.870 0 40 GFAB CO[C@H]1CCN(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)C1 1565522492 JBJXGEKXJVTVQX-SFHVURJKSA-N 386.471 2.552 0 40 GFAB COc1ccc([C@H](O)CNC(=O)c2ccccc2Br)cc1OC 170186773 MNOSJQILQIGRIA-CQSZACIVSA-N 380.238 2.930 0 40 GFAB Cc1ccc(CCC(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)o1 1615120412 LDZCWLMTKCGBQY-QFIPXVFZSA-N 382.460 2.945 0 40 GFAB CCc1cc(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c(C)cc1OC 1621856140 WYMMKPJJIOCDHA-UHFFFAOYSA-N 382.526 2.586 0 40 GFAB O=C(NC[C](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1 1560405368 OMYFJVOCVVKSTF-UHFFFAOYSA-N 379.484 2.739 0 40 GFAB CC1=NNC(=O)[C@@H]1CCC(=O)Nc1ccc2c(C)cc(C(F)(F)F)nc2n1 141967843 BIDHSDOVJKGLCN-LLVKDONJSA-N 379.342 2.798 0 40 GFAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1=O 12118007 FEQJDHNQVKBTRJ-UHFFFAOYSA-N 393.447 2.715 0 40 GFAB COc1ccccc1C1(NC(=O)Cc2nc3nc(C)cc(C)n3n2)CCCC1 12143069 CFVGECYREHTDBB-UHFFFAOYSA-N 379.464 2.878 0 40 GFAB CO[C@@H](C(=O)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1)c1ccccc1 12144709 JZOGVKVGHGCHKV-LJQANCHMSA-N 375.428 2.709 0 40 GFAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)c12 13012508 RNWVTGGIIWKQLF-LLVKDONJSA-N 381.523 2.523 0 40 GFAB CCOc1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1OC 13547812 SFIFGKWMQIACAR-SFQUDFHCSA-N 379.441 2.773 0 40 GFAB O=c1cccc2n1[C@H]1C[C@@H](C2)CN(Cc2nc(-c3cccnc3Cl)no2)C1 19347414 NCMAVXWCCOAJGL-OCCSQVGLSA-N 383.839 2.566 0 40 GFAB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19502133 KCEVYYSXRGMEHG-LEWJYISDSA-N 398.555 2.901 0 40 GFAB COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 19569964 MWHQLYLABHZCHA-GOSISDBHSA-N 379.460 2.630 0 40 GFAB COc1ccc(CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1F 19588300 TYWSGTVDLRRNBB-UHFFFAOYSA-N 398.482 2.561 0 40 GFAB CCC(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3F)c(N)n2)CC1 19765882 MTYIVSJXPAGWEU-UHFFFAOYSA-N 384.455 2.849 0 40 GFAB COCc1ccc(C(=O)N2CCC(c3cc4nc(C)c(C)c(O)n4n3)CC2)o1 100137343 LCTQYNUPPKRYPR-UHFFFAOYSA-N 384.436 2.811 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)CCC2 7057037 QCSNCDRXBRZCSR-UHFFFAOYSA-N 394.518 2.535 0 40 GFAB CCc1cc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)nc(C2CC2)n1 1888906461 ICNMOKPGYBZFIX-UHFFFAOYSA-N 377.496 2.903 0 40 GFAB CC(C)[C@@H](CNC1=NS(=O)(=O)c2ccccc21)N1CCc2ccccc2C1 24745510 HHBONBORHYQPEH-LJQANCHMSA-N 383.517 2.808 0 40 GFAB Oc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 25721203 NAOFEPNTXGKARV-WMZHIEFXSA-N 382.504 2.969 0 40 GFAB Cc1cc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)ccc1F 5075808 BIVNUCZTDUNJPI-UHFFFAOYSA-N 398.481 2.783 0 40 GFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccccc3)cc21 5442144 QZCFPAUPGFPQRP-UHFFFAOYSA-N 379.460 2.877 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 11025851 BBMUMOHXLBWXSE-UHFFFAOYSA-N 391.474 2.583 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccn2)cc1 15390828 PESOQPAPVDYQPH-SFHVURJKSA-N 387.505 2.640 0 40 GFAB CCOc1ccccc1CNC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O 23125661 YPYCXNJGSVBNQR-UHFFFAOYSA-N 390.443 2.901 0 40 GFAB CO[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 225706193 OVTMKJHDGLDIMN-CYBMUJFWSA-N 389.882 2.839 0 40 GFAB CC(C)CCNC(=O)Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O 49002501 RHLGABDYRMMKPT-UHFFFAOYSA-N 384.411 2.867 0 40 GFAB O=S(=O)(NCc1nccnc1-c1cccs1)c1ccc(-n2cccn2)cc1 575619344 DMHAJYZHGMJMRI-UHFFFAOYSA-N 397.485 2.869 0 40 GFAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 13575545 UNTLHIRLHRTANA-UHFFFAOYSA-N 397.383 2.763 0 40 GFAB COc1ccc(CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1OC 40050010 URJSZHYITSWNTG-UHFFFAOYSA-N 379.416 2.541 0 40 GFAB CCc1nn2c(=O)cc(CNc3ccc(N4CCCC4=O)c(C)c3)nc2s1 40039036 SUHDNPKDGBIHHR-UHFFFAOYSA-N 383.477 2.761 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1nc2ccccc2s1 31099107 HXXMEJUHDHUCHE-UHFFFAOYSA-N 386.477 2.557 0 40 GFAB O[C@@H](COc1ccc(F)cc1)CSc1nnc(N2CCCC2)n1C1CC1 32888265 WHOJFQXECQKAOH-HNNXBMFYSA-N 378.473 2.884 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc12 8538684 DYOBNWWJZMGTES-UHFFFAOYSA-N 380.400 2.927 0 40 GFAB C[C@@H]1CCCC2=C1C(=O)N(CSCN1C(=O)C3=C(C1=O)[C@H](C)CCC3)C2=O 1711779 HHGRDQOYRMWVNL-VXGBXAGGSA-N 388.489 2.605 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2c(C)cc(C)nc2=O)sc2c1CCCC2 1994233 KIAXSMBRZLMNAP-UHFFFAOYSA-N 389.477 2.616 0 40 GFAB CN1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)c2cc(Cl)ccc21 78876590 CYAYDZKWISMVQH-UHFFFAOYSA-N 395.912 2.713 0 40 GFAB COc1ccc(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCC3)cc1 2966355 IQAVKKVUKWFVKZ-QFIPXVFZSA-N 383.468 2.973 0 40 GFAB COCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3465669 UGKHYLQWGBBNGS-UHFFFAOYSA-N 386.452 2.928 0 40 GFAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 6325787 POQXPLJJJBWDMT-UHFFFAOYSA-N 390.933 2.815 0 40 GFAB O=C1COc2cc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)c(Cl)cc2N1 41837928 YABLFDILYAYIMH-INIZCTEOSA-N 389.770 2.942 0 40 GFAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)NC(C)C 8475892 JQIHYRFJKIKRDQ-UHFFFAOYSA-N 384.404 2.912 0 40 GFAB COc1cc(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC 47416287 DZRLJRZKJYVCTD-HZPDHXFCSA-N 378.513 2.739 0 40 GFAB CCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 3071409 KMXFKUOZYSAWSW-UHFFFAOYSA-N 376.478 2.805 0 40 GFAB COc1cc(OC)cc([C@@H](NC(=O)CCc2c(C)noc2C)c2nccn2C)c1 24023007 JXFZORXASXZTCM-HXUWFJFHSA-N 398.463 2.881 0 40 GFAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 12507917 ZXXMYDDIUJLSAG-UHFFFAOYSA-N 387.505 2.702 0 40 GFAB Cc1nc2ccccc2n1CCN[C@@H](C(=O)N1CCOCC1)c1ccccc1 12541026 RFVJHKULARYHMH-OAQYLSRUSA-N 378.476 2.534 0 40 GFAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(CNC(=O)NC(C)C)cc2)CC1 24754700 ISUVSZBQPQPLAH-INIZCTEOSA-N 389.496 2.698 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)c1 25225099 SBFGRHMDEVQWFS-UHFFFAOYSA-N 378.432 2.885 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)[nH]1 51317209 ZPCTYXQCWUWUHX-UHFFFAOYSA-N 375.431 2.502 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H](c1cccs1)N1CCCC1 48090938 VBYOGEYJWYIFCP-INIZCTEOSA-N 384.567 2.749 0 40 GFAB O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1cccc(OC(F)(F)F)c1 26539493 PSMUIETYYFADOH-UHFFFAOYSA-N 384.339 2.967 0 40 GFAB CCc1nnsc1C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 27312873 DVYOMOVCILNHDO-GFCCVEGCSA-N 396.538 2.622 0 40 GFAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)ccc21 58143397 ATYYCCMPLZRTJY-KRWDZBQOSA-N 398.507 2.705 0 40 GFAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)NC)cc2)ccc1Cl 58141528 UBLZDXIHORGJMN-UHFFFAOYSA-N 396.852 2.677 0 40 GFAB CCCCCCn1c(S[C@@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 3376516 GSGSAXYHCHTUDY-ZDUSSCGKSA-N 390.509 2.913 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1 11172156 OOVZOQXJHISSBA-UHFFFAOYSA-N 389.412 2.529 0 40 GFAB Cc1cc(C)n(-c2ccccc2CNS(=O)(=O)c2cnn(C(F)F)c2C)n1 36615110 LDBLJADLQBTIQX-UHFFFAOYSA-N 395.435 2.868 0 40 GFAB CCC(CC)N(CCOC)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 45742299 UWBOPTDSMUYQDE-UHFFFAOYSA-N 390.933 2.770 0 40 GFAB CCCn1nc(C(=O)NCCc2ccc3c(c2)OCCO3)c2ccccc2c1=O 18073348 SYZOUCFQJFCPRN-UHFFFAOYSA-N 393.443 2.550 0 40 GFAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 13002421 MCNHDBBLJAFVQH-CQSZACIVSA-N 376.478 2.714 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38834377 UHBXJGUOYXWVQD-SFHVURJKSA-N 390.461 2.559 0 40 GFAB O=C(Cc1ccco1)N1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306127829 GIQYUPHFBFIEPQ-INIZCTEOSA-N 379.464 2.871 0 40 GFAB O=C(C1=C(Cl)CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8709321 PPOOZECWKMJDEV-UHFFFAOYSA-N 386.876 2.726 0 40 GFAB Nc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 18332286 LQPDQSGQYCYRAZ-UHFFFAOYSA-N 387.465 2.803 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3OC)C2=O)cc1 13653841 IIOPJEOCQPVYCN-KRWDZBQOSA-N 397.431 2.543 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(OC)cc2)cc1 5033884 MTHVVFUKBUMVSH-GFCCVEGCSA-N 385.449 2.799 0 40 GFAB CC(C)OC(=O)c1ccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)cc1 13735174 GZDUHWDPMLNINK-PKOBYXMFSA-N 389.473 2.531 0 40 GFAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 6362309 CBDPZWDVLNOUOX-UHFFFAOYSA-N 381.384 2.624 0 40 GFAB COc1cccc(C(=O)C[C@]2(NC(=O)C(C)C)C(=O)N(C)c3ccccc32)c1 9341352 FIFFQUJJAQCWOT-JOCHJYFZSA-N 380.444 2.912 0 40 GFAB COc1ccc(CN2CCN(C(=O)COc3cccc(C)c3)CC2)cc1OC 19235141 GBQBHVBAHUKIQC-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ncccc2c1=O 14184148 VMWNXRCKTRJQOK-UHFFFAOYSA-N 388.880 2.873 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1NC(C)=O 4742206 JIMNTJAAOMTJHG-UHFFFAOYSA-N 394.449 2.862 0 40 GFAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)NC3CCCC3)c(=O)c2s1 67225700 VUQZEMDTGUWNIW-UHFFFAOYSA-N 397.504 2.548 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 15316513 VROFDQAZERRLBW-CQMUMHJZSA-N 387.530 2.788 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(Cl)cc2Cl)cc1 7398099 AOYPXQCIHIOYMQ-UHFFFAOYSA-N 390.244 2.877 0 40 GFAB Cc1ccc(CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 15843076 QWHWMLZCBRKWOW-UHFFFAOYSA-N 386.473 2.628 0 40 GFAB C[C@H](c1cccs1)N(C)CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 16435287 YZOLQFXLZPFNOJ-HUUCEWRRSA-N 396.534 2.550 0 40 GFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(C)s1 8026819 YIQUAPWMLDWHJV-UHFFFAOYSA-N 382.482 2.651 0 40 GFAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1COc2ccccc2O1 8129868 RVRHMKYWUBPMOY-LJQANCHMSA-N 393.443 2.892 0 40 GFAB COCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cccc2nccnc12 72314714 ZRHPIPVSWDIQKA-QGZVFWFLSA-N 390.399 2.683 0 40 GFAB COC(=O)C[C@@H](c1ccc(OC)c(OC(C)C)c1)c1c(O)cc(C)[nH]c1=O 72403140 PJAAHOORYPBWFL-AWEZNQCLSA-N 375.421 2.880 0 40 GFAB CC(=O)c1ccc(SCc2nc(CN3C(=O)NC(=O)C3(C)C)no2)c(F)c1 97377673 HPXMUQKJGVUIMC-UHFFFAOYSA-N 392.412 2.534 0 40 GFAB Cc1cc(Cl)cc2c1N(C(=O)CN(C)S(=O)(=O)c1cccnc1)CCC2 97576102 FWULEWKEECTYNE-UHFFFAOYSA-N 393.896 2.643 0 40 GFAB CCOC(=O)c1oc(N(C)S(=O)(=O)c2ccc3c(c2)CCCC3)nc1C 95466391 FBGUDPDWKIWZDP-UHFFFAOYSA-N 378.450 2.864 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)n(C)n1 95998577 HCOLBCJYKMDWOF-LJQANCHMSA-N 397.454 2.884 0 40 GFAB CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)[C@@H]1Oc1ccccc1 1556309102 LFIAGDCCMHQBMQ-HUUJSLGLSA-N 380.444 2.602 0 40 GFAB Cc1ccc(NC(=O)C[C@H]2Cc3c(-c4ccccc4)nc(N)n3NC2=O)cc1C 409418435 ZXYWQHDSXBYZJD-MRXNPFEDSA-N 389.459 3.020 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 306124414 BPFFNAUYQKPFNV-SFHVURJKSA-N 399.458 2.910 0 40 GFAB Cc1cc(S(=O)(=O)NCCCO)ccc1NC(=O)c1ccc(Cl)cc1 408601509 BEFRFNHIZDLZKC-UHFFFAOYSA-N 382.869 2.561 0 40 GFAB CN1CCN(S(=O)(=O)c2ccccc2OC(F)F)[C@H](c2ccccc2)C1 507494003 MMAYSSACQPAHGE-HNNXBMFYSA-N 382.432 2.965 0 40 GFAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)c1OC 73257551 CKUCWPTUZQKDGP-DKIOLRDMSA-N 387.432 2.501 0 40 GFAB C[C@@H](OC(=O)c1cccc(N2CCCC2=O)c1)C(=O)NCCc1ccccc1 32776462 GRCMHFXLSYWUEU-MRXNPFEDSA-N 380.444 2.718 0 40 GFAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc2c(c1)CCC2 44782883 LZEOJYYSVXODJJ-OAQYLSRUSA-N 386.517 2.527 0 40 GFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1 224316851 YLHLTILFVCFRSQ-UHFFFAOYSA-N 380.510 2.546 0 40 GFAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 225130704 XJBPCZIMYMWHDE-UHFFFAOYSA-N 395.487 2.757 0 40 GFAB CCOc1cccc(CNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222461337 OHHNWOGKTMTFPM-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 130427189 SGYNYWXMKKYZDQ-RISCZKNCSA-N 399.274 2.900 0 40 GFAB O=C(O)c1cn(C2CCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)nn1 570292436 JQMMPNBXUHZSLA-UHFFFAOYSA-N 393.447 2.814 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1cccc(C)c1 225491165 OLMAPMBAPYGTEA-UHFFFAOYSA-N 390.505 2.503 0 40 GFAB Cc1cc(CSc2ncccc2C(=O)NCCCCN2CCOCC2)no1 48287189 OXVVQPMFPIRKKD-UHFFFAOYSA-N 390.509 2.513 0 40 GFAB CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225947928 ODQYVJVFBCVSBE-OXQOHEQNSA-N 386.473 2.628 0 40 GFAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCc4ccccc4OC3)cc21 585079979 FBGJVIBGDZKYTM-CQSZACIVSA-N 386.473 2.588 0 40 GFAB C[C@H](O)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C(=O)O)[C@@H]1CC3 253529881 ZHDGKAOGMGOSPM-XFWZQPPRSA-N 378.509 2.733 0 40 GFAB biogenic,in-vitro Cn1nnc2c1CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C2 654553212 JOZWXGGJVGRMCU-SCDSUCTJSA-N 380.279 2.835 0 40 GFAB Cn1c([C@@H]2CCCN2C(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 604419730 VINRUBAGOMUMQD-KRWDZBQOSA-N 379.468 2.583 0 40 GFAB CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](O)C(F)(F)C2)N(C)C)cc1 664906959 QNYYNFWZNOHGLG-ZWKOTPCHSA-N 383.483 2.899 0 40 GFAB CCS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21 585103500 GVWPCODIUZDUQP-UHFFFAOYSA-N 398.528 2.959 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Oc2cnccn2)cc1 46723589 QZXXKOINLVSVHH-UHFFFAOYSA-N 379.401 2.679 0 40 GFAB CC(=O)NC1CCN(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)CC1 633409167 QNVCKIWAZFNGLE-OAQYLSRUSA-N 386.540 2.741 0 40 GFAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1CCO2 1534646889 UNKLDBYDNZXGGL-HOTGVXAUSA-N 380.510 2.819 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 5549370 DMVICPDPAWZDKE-QGZVFWFLSA-N 396.443 2.616 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2ccco2)C3)cc1 12114363 ZTKSGEIIQNZLLL-HTZLVSCSSA-N 383.448 2.691 0 40 GFAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccn4)CC3)ccc21 12291577 DVHFCNUBIDWAPD-OAQYLSRUSA-N 394.519 2.626 0 40 GFAB Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)[C@@H](CN(C)C)CO2 12406655 JLTNICRPKMLUAX-KRWDZBQOSA-N 378.469 2.648 0 40 GFAB COc1ccccc1OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 12517094 KZXISBUVKKAENW-UHFFFAOYSA-N 386.423 2.765 0 40 GFAB COc1cccc(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1OC 14371857 DZDTWEMBTPVIRT-UHFFFAOYSA-N 387.461 2.593 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCCC2=O)cc1 18217047 DBXUKJZYMRWMIP-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 19214059 SDJQBWJYZURHBZ-UHFFFAOYSA-N 381.476 2.788 0 40 GFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4ccnn4C)C3)cc2N1 19520799 RTMONLHMXGPXKR-LALPHHSUSA-N 396.417 2.944 0 40 GFAB Cc1ccnn1CCC(=O)N1CCO[C@H](c2nccnc2-c2ccccc2F)C1 19693133 ZEQQPOYVKRMFHF-SFHVURJKSA-N 395.438 2.778 0 40 GFAB Cc1cccc(C)c1OCC(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 19706441 UTWHTMNJPAFSNW-SFHVURJKSA-N 397.523 2.515 0 40 GFAB CC(=O)N1CCc2nnc([C@H]3CCCN3Cc3cn(C)c4ccccc34)n2CC1 19710643 XPYKITAQJQEPNU-HXUWFJFHSA-N 392.507 2.512 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cccc2c1OCCO2 225793700 VPJZZZSOAWDXPR-UHFFFAOYSA-N 394.475 2.525 0 40 GFAB COc1ccc(C[C@H](C)N2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)cc1 12220787 YLNOGSDLDMIIKO-FOMLIJIXSA-N 393.487 2.699 0 40 GFAB COc1ccc(CC(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)cc1OC 12366106 ZRMCCWAJZZPGAQ-SFHVURJKSA-N 384.476 2.598 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CSc2nncn2-c2ccccc2)c1C 4835247 WLMTVVNHKVMRNO-UHFFFAOYSA-N 395.488 2.731 0 40 GFAB O=C(C1CCN(c2ncc(Br)cn2)CC1)N1CCC(F)(F)CC1 1889103105 ORRSIFMXEYDCPX-UHFFFAOYSA-N 389.244 2.713 0 40 GFAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 30316679 XHUUWXXBTOMMTR-BWNDKRECSA-N 396.274 2.624 0 40 GFAB COCCn1cc(C(=O)NCCC(C)C)c2nn(-c3ccccc3)c(=O)c-2c1 10062713 LYBDMUMXZCEDNM-UHFFFAOYSA-N 382.464 2.561 0 40 GFAB O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1cccc(Cl)c1 15884301 SIJYJUHXWPRNNH-UHFFFAOYSA-N 382.807 2.788 0 40 GFAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccc(C)s2)CC1 2055750572 GCVOOCACJVMKBK-UHFFFAOYSA-N 387.505 2.898 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 2055815438 RIDDVIWTZCJHGH-HXUWFJFHSA-N 386.883 2.889 0 40 GFAB O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1cccc(F)c1 23127528 DPOVHPDSEZWBCJ-UHFFFAOYSA-N 375.469 2.854 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21 33170711 NBAZAMRMEWZUQX-HNNXBMFYSA-N 398.484 2.749 0 40 GFAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCCc4ccccc4)cc1c32 101078829 RIVISHCEIGSMKV-OAHLLOKOSA-N 391.471 2.770 0 40 GFAB Cn1cc(CC(=O)N2CCN(C[C@@H](O)c3cccs3)CC2)c2ccccc21 49031225 XMYROHUVNDWFTL-LJQANCHMSA-N 383.517 2.660 0 40 GFAB CN(C)c1nc(CNC(=O)c2ccc(-c3ccccc3)cc2)nc(N(C)C)n1 575606485 IRBIQWGZCZMSJC-UHFFFAOYSA-N 376.464 2.601 0 40 GFAB COc1cccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)c1 36548453 YGFGHFAQTPWSPB-OAQYLSRUSA-N 393.487 2.587 0 40 GFAB NC(=O)c1ccsc1NC(=O)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 40154725 VLPZJLDGSAKSQO-HNNXBMFYSA-N 393.896 2.903 0 40 GFAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1 40288231 UAFPCUDIQXBWAN-GOSISDBHSA-N 395.394 2.910 0 40 GFAB Cn1c(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n(C)c1=S 20759561 LPOLPJTVKPSURU-CQSZACIVSA-N 376.869 2.529 0 40 GFAB biogenic COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)c1 932265 UAQJDHFGXGBWEJ-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 46673572 PXHHOKXLZGLMTP-RDTXWAMCSA-N 395.459 2.909 0 40 GFAB COc1ccccc1C(=O)Cn1cccc(-c2nc(-c3ccncc3)no2)c1=O 77200493 IQYBOQZIVBVCPF-UHFFFAOYSA-N 388.383 2.852 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)=O)C1=O 4305811 SMMOTILOEHSQJI-NRFANRHFSA-N 379.416 2.685 0 40 GFAB COCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1C(C)C 4879232 DICFXDRQNPSNPU-UHFFFAOYSA-N 394.497 2.796 0 40 GFAB CCn1cnc2c(=O)oc3ccc(S(=O)(=O)NCc4ccccc4)cc3c21 6733206 DYTATVONKBSGLR-UHFFFAOYSA-N 383.429 2.641 0 40 GFAB CC[C@@H](C)NC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10370242 ZGMPUDAQCRAKGL-GFCCVEGCSA-N 376.906 2.810 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl 42268366 XUYUOEZAGTUMLQ-UHFFFAOYSA-N 388.228 2.883 0 40 GFAB CCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104676619 VMMDKAAJYORDLQ-RZLSGREXSA-N 386.521 2.844 0 40 GFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1 9262334 SXQBNRNNCLJEPM-RTBURBONSA-N 393.443 2.798 0 40 GFAB COc1ccc(C(=O)N2CCC(NC(=O)Nc3nccs3)CC2)c(OC)c1 43160196 IFCGJTWVYQICDD-UHFFFAOYSA-N 390.465 2.587 0 40 GFAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O)Nc1ccc(F)cc1 1248029 HQMNHOXZTNQOAS-GDNBJRDFSA-N 399.403 2.982 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 57897904 UJOBRMSVPVFLGO-LBPRGKRZSA-N 382.869 2.552 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1N1CCCC1=O 24838603 ADNSXKWNQCAYCS-SFHVURJKSA-N 399.516 2.678 0 40 GFAB C[C@@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)NC1CCCCCC1 26229540 PWJLHNVXZJQBMO-OAHLLOKOSA-N 385.464 2.557 0 40 GFAB CC(C)CN1CCO[C@@H](CSc2nc3sc4c(c3c(=O)n2C)CCC4)C1 22018999 MKEAPVNQSIRLLJ-CYBMUJFWSA-N 393.578 2.933 0 40 GFAB CCOc1ccccc1NC(=O)CN(CC)Cc1nc2ccccc2c(=O)[nH]1 57449913 NVHRFHVUVWXIPI-UHFFFAOYSA-N 380.448 2.782 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@@H]3C2=O)cc1 100033385 ACCQGHIXOMPUAC-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1C 3350393 VSPLEFCZLXNBOT-UHFFFAOYSA-N 394.330 2.951 0 40 GFAB O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1 2183640 OSRQWBNXNBEOSR-IBGZPJMESA-N 388.487 2.545 0 40 GFAB CCN1CCN(CCCNC(=O)c2cc3cc(Br)ccc3o2)CC1 58412126 KPZDFQJWNJSWAT-UHFFFAOYSA-N 394.313 2.953 0 40 GFAB CNC(=O)c1cccc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1 23320574 UYJNISKFCGXILW-UHFFFAOYSA-N 378.432 2.785 0 40 GFAB O=C(NCc1ccncc1)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 21451937 HDOHICLFOGCZAS-UHFFFAOYSA-N 384.346 2.730 0 40 GFAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCSCC1 2364154 IKQKOBGGWLCDJT-UHFFFAOYSA-N 381.885 2.985 0 40 GFAB CN(C)[C@@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl 12730831 WQULTJKIWHNLCX-SFHVURJKSA-N 399.878 2.745 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCc3cccc(OC)c32)cc1C(=O)O 48386374 IRUVTLPPGGJYPO-UHFFFAOYSA-N 377.418 2.544 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 12875789 FJYRMQUUHNNYGN-IEBWSBKVSA-N 375.472 2.892 0 40 GFAB COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(OC)c1OC 12813040 JVXSZKWNEOUWEF-MRXNPFEDSA-N 376.428 2.884 0 40 GFAB COc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1NC(C)=O 12805560 LSSXQKBPCWSMJP-UHFFFAOYSA-N 378.475 2.955 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc3ncsc3c2)cc1OC 3478964 PRAOANHHWLJIMU-UHFFFAOYSA-N 386.429 2.787 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1 13058404 WRMHYQAKEWJFAT-UHFFFAOYSA-N 378.416 2.837 0 40 GFAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1cccc(C(F)(F)F)c1 8739771 HOXKCMGHNYWBMV-UHFFFAOYSA-N 392.337 2.812 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)[C@]1(C)CC1(Cl)Cl 5031146 MIUCLTBWMRGVTC-INIZCTEOSA-N 385.247 2.877 0 40 GFAB Cc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 13750210 PWQVLSPCMFZXFM-YVLHZVERSA-N 395.871 2.612 0 40 GFAB CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCCn3ccnc3)c12 5207822 GWRNTNGAXHRMOO-HNNXBMFYSA-N 383.448 2.834 0 40 GFAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 5261500 ZMWUSVCOWGFJNU-ZDUSSCGKSA-N 380.400 2.769 0 40 GFAB COc1ccc(OCCNC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1 14198380 FIMSAPREDPWQDR-QGZVFWFLSA-N 391.855 2.643 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 4513218 NZDFHTJLGDNFTE-QHRIQVFBSA-N 377.872 2.897 0 40 GFAB O=C(COc1ccc(Br)cc1CO)Nc1ccc2c(c1)OCO2 5468275 UDNBMNZLLRXGCG-UHFFFAOYSA-N 380.194 2.688 0 40 GFAB CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)CC1 19222741 SJNNJXPDCSGPQC-INIZCTEOSA-N 388.464 2.931 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1NC(C)=O 4742174 OFBJWOVDFJHHMR-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(C)ccc1C 4815367 WNIMETZEHVBLIZ-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB Cc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@@H]2CCS(=O)(=O)C2)o1 6810312 AIQKWBXJAPZCNM-QGZVFWFLSA-N 391.489 2.800 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 5871576 KFSFFJZBPSPRRJ-CYBMUJFWSA-N 399.834 2.508 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 28240297 PCJWRFQYEBPTKH-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCCCCC2)=C1C(=O)OC 67287881 OEBXDTSKGLALLT-IBGZPJMESA-N 387.480 2.742 0 40 GFAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccc2c(c1)CCCC2 9193273 CNGOFMKJJLZLLI-KRWDZBQOSA-N 386.521 2.748 0 40 GFAB CCN(CC)C(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 68204490 YCVVWHRPJGRVJQ-LJQANCHMSA-N 379.460 2.704 0 40 GFAB Cc1ccc(C)c(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 16092868 KGEGVNBFIUJZNM-UHFFFAOYSA-N 395.502 2.856 0 40 GFAB CCCNC(=O)[C@H]1CN(C(=O)c2cn3c(C)cccc3n2)c2ccccc2O1 8013511 WYBYSCAZPFNLLA-GOSISDBHSA-N 378.432 2.577 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408656179 HKBZBJXZRMLNPV-QFACEVIFSA-N 382.460 2.839 0 40 GFAB COc1cccc(NC(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)c1 19924163 GJRUCWCZDJWEJS-UHFFFAOYSA-N 381.440 2.521 0 40 GFAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)C3CCOCC3)c2C)c1 95998539 VWRWYELHDSRDGH-FQEVSTJZSA-N 399.491 2.824 0 40 GFAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(Cl)cc1 20012816 AYRBIWSJTCRHSS-CQSZACIVSA-N 380.897 2.979 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)OCc1ccccc1 4760120 SLQMUASKUOLVIO-MOPGFXCFSA-N 396.443 2.600 0 40 GFAB in-vitro CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/CO 36478403 QTIDQWZUENCPMU-AATRIKPKSA-N 379.457 2.807 0 40 GFAB in-vitro O=C(C1CN(c2nc3c(F)cccc3s2)C1)N1CCN(c2ccccn2)CC1 62168354 ZJCXYPOTIFOXAZ-UHFFFAOYSA-N 397.479 2.615 0 40 GFAB CC(=O)N1CCC(N2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 49169795 UYJZGLNGFBOQGV-INIZCTEOSA-N 393.491 2.942 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCC(C)C 222967801 MTHGDSCRVZYLHF-UHFFFAOYSA-N 382.526 2.575 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2nc(C)cc(C(F)(F)F)n2)c(C)c1 77101116 WSMMWCDGDLMMKU-UHFFFAOYSA-N 389.399 2.642 0 40 GFAB Cn1nc(OCCCC(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 226865136 ILNJDNBFXYVMFM-ZDUSSCGKSA-N 396.285 2.790 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)cc1 225929707 CXAXDYXRIWIOAJ-UHFFFAOYSA-N 388.445 2.591 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223588184 BTQPCWLSDKOGPD-OALUTQOASA-N 380.473 2.543 0 40 GFAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)NC2CCCCC2)COC1 96112516 XGKQQXXLDKTCIJ-HNNXBMFYSA-N 386.452 2.526 0 40 GFAB biogenic,in-vitro Cc1cc(=O)c(OCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cn1C 95478408 QFNPHQCFCLSFRX-UHFFFAOYSA-N 399.422 2.759 0 40 GFAB O=C(c1ccc(Cl)cc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240908 YWJBKKRAEMVQPF-KRWDZBQOSA-N 376.884 2.831 0 40 GFAB O=C(CCCc1nnc2ccccn12)NC1CCN(Cc2ccc(F)cc2)CC1 96117822 DEJOVKDYQNMPRY-UHFFFAOYSA-N 395.482 2.972 0 40 GFAB CCOC(=O)c1nc(NS(=O)(=O)c2cncc(F)c2)sc1C(F)(F)F 585138501 WVEKWNQZSNZCIN-UHFFFAOYSA-N 399.347 2.674 0 40 GFAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccc(C)s1)C2 96050142 KTNTXKVXEHAHGF-NRFANRHFSA-N 383.517 2.896 0 40 GFAB CON1CCC(C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 633126136 GQNIIUOSJOGZOB-UHFFFAOYSA-N 398.385 2.731 0 40 GFAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(C)c4)CC3)[C@H]2C1 585106045 HFYLIDTYZYMKKR-DBVUQKKJSA-N 383.536 2.694 0 40 GFAB CCN(CC)C(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 5009872 PXQYPTMDQRHUJK-GFCCVEGCSA-N 376.526 2.872 0 40 GFAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 13057168 ZENQIWTVHWSZQW-CALCHBBNSA-N 393.553 2.778 0 40 GFAB COc1cc(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc(OC)c1 14372191 ZQDRXKUVEYLVOS-UHFFFAOYSA-N 387.461 2.593 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)Nc1ccnn1Cc1ccc(Cl)cc1 15641526 OGRZXQRIIOIDFD-UHFFFAOYSA-N 399.863 2.995 0 40 GFAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)/N=c2/sccn2C)c1 15940883 WDJSCUWRJIPONN-ISLYRVAYSA-N 381.523 2.638 0 40 GFAB COc1cccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1 19020394 GQTMQOGARFLDRQ-QFIPXVFZSA-N 381.476 2.749 0 40 GFAB CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(C)C)CC3 19085648 SNKWUZWDGJBJKO-SFHVURJKSA-N 385.512 2.911 0 40 GFAB COCCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(C)n2)CC1 19236168 SSKWTPNWSFIBPZ-JOCHJYFZSA-N 382.508 2.891 0 40 GFAB COc1cccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)n2)c1 19458912 QHCCRFKEHKICFO-AWEZNQCLSA-N 393.447 2.551 0 40 GFAB CCc1c(C)sc2ncn(C3CCN(CC(=O)N4CCCC4)CC3)c(=O)c12 19521835 PIRKXMALCVTWAR-UHFFFAOYSA-N 388.537 2.588 0 40 GFAB CN(Cc1nc(N(C)C)ncc1-c1ccncc1)C(=O)Cc1ccc(F)cc1 19585362 NOXJEKDASBMRRW-UHFFFAOYSA-N 379.439 2.945 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCN(C(=O)C2[C@H]3CCCC[C@@H]23)CC1 19594968 NHEFEMDADZMEIE-QRTHJKPMSA-N 388.508 2.793 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)Nc1cnn(CC(=O)NC3CCCC3)c1)n2C 19746144 JJDAAFIKTYINCY-UHFFFAOYSA-N 379.464 2.994 0 40 GFAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccc2c(c1)OCO2 19937685 GEBRVFLWZOCTQJ-UHFFFAOYSA-N 397.818 2.678 0 40 GFAB COc1cccc(CNC(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)c1 238880749 PEPSFZBCUFFSQF-UHFFFAOYSA-N 395.507 2.832 0 40 GFAB CC(=O)N1c2ccc(NC(=O)COc3ncnc4ccccc34)cc2C[C@@H]1C 12204384 YUPWYKRFZZVQCR-ZDUSSCGKSA-N 376.416 2.945 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(-c2cnn(C)c2)cn1 19688924 WPLCZESCYOUWBR-QGZVFWFLSA-N 387.465 2.613 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2N2CCOCC2)CC1=O 3448900 RJLCVQRXRSKYAF-INIZCTEOSA-N 395.459 2.523 0 40 GFAB Cc1cc(N2CCN(c3nc4ccccc4nc3C)CC2)nc(N2CCCC2)n1 1889205633 UJPHXJGVHHXOKT-UHFFFAOYSA-N 389.507 2.963 0 40 GFAB COCCN1CCCC2(CCN(C(=O)CCc3ccccc3F)CC2)C1=O 1565554919 KMEDDBNNVOTKMC-UHFFFAOYSA-N 376.472 2.636 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565543030 HIEAVKZBNIKGOB-OFNKIYASSA-N 378.472 2.932 0 40 GFAB CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccccc2OC)s1 4174671 GUALYRBIMJIKHC-GFCCVEGCSA-N 390.494 2.852 0 40 GFAB CCc1nnc(SCC(=O)Nc2ccc(OC)cc2OC)n1-n1cccc1 4518430 TVUHBPTXOCOSIP-UHFFFAOYSA-N 387.465 2.701 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CC[C@@H](N(C)C(C)C)[C@@H]1Cc1cnn(C)c1 2055715959 OIWCVFIESGDQGX-SJORKVTESA-N 396.582 2.505 0 40 GFAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)N1CCCC1)CC2 2055785426 WUZLBTWKDYPNFX-UHFFFAOYSA-N 384.505 2.690 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 211113249 VTGYFCAZCYBGMF-FQEVSTJZSA-N 387.457 2.854 0 40 GFAB O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 36700143 IRNLEKGVPCSYPY-GOSISDBHSA-N 398.887 2.831 0 40 GFAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1 575414369 BNSCPENZNGZHTC-INIZCTEOSA-N 387.443 2.528 0 40 GFAB CCn1cc(C(=O)N[C@H]2CCN(Cc3ccsc3)C2)c(=O)c2ccc(C)nc21 618256095 DDSSILIDSGJPIL-INIZCTEOSA-N 396.516 2.791 0 40 GFAB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cncc(Br)c1 206834114 XENNEERVKGXALP-LLVKDONJSA-N 381.299 2.947 0 40 GFAB Cc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 19210747 PLUDSJRTHPBDAA-LJQANCHMSA-N 380.492 2.952 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccco1)C1CC1)c1ccc(OC(F)(F)F)cc1 77099476 PSDFGKMRWJSTFJ-HNNXBMFYSA-N 391.367 2.754 0 40 GFAB COc1ccc(Br)c(C(=O)NC[C@]2(O)CCOc3ccccc32)c1 77099972 JRZHRTJIDLAQNI-GOSISDBHSA-N 392.249 2.858 0 40 GFAB O=C1C[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c2ccc(F)cc2N1 10403913 FOARONOBBWTZAA-GOSISDBHSA-N 395.434 2.673 0 40 GFAB O=C(c1ccc(F)cc1Br)N1CCC(CN2CCOCC2)CC1 40118914 QWUVGWOYDHMLSS-UHFFFAOYSA-N 385.277 2.773 0 40 GFAB CCc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773700 RFRAPKQRMQALTP-VQTJNVASSA-N 390.549 2.786 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)c1 51357064 MNRCZSUZWJJWHN-UHFFFAOYSA-N 379.771 2.739 0 40 GFAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)CC[C@@H]3CCCO3)ccc2c1=O 102043474 KVFUDCGVNDOCDO-JSGCOSHPSA-N 375.494 2.783 0 40 GFAB C[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102240504 YEKOVALBLFTBDI-OLMNPRSZSA-N 399.491 2.583 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCCCC3)nnc12 1331711 KWRAXDZDRZDLPO-UHFFFAOYSA-N 385.493 2.605 0 40 GFAB Cc1n[nH]c(-c2ccc(C(=O)NCc3ccc(OCCN(C)C)cc3)cc2)n1 78966065 MRZLYERGJGLEIG-UHFFFAOYSA-N 379.464 2.651 0 40 GFAB C[C@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)NCC1CCCCC1 4876715 GNWLBANFNLLLKP-LBPRGKRZSA-N 377.489 2.975 0 40 GFAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccco1 6465485 YEDBZWQHCQBLCW-UHFFFAOYSA-N 381.310 2.508 0 40 GFAB CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)nc2scc(C)n2c1=O 6823685 YHSVSQGARACEMW-HNNXBMFYSA-N 391.518 2.672 0 40 GFAB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 6948784 XASQQJVRIQALHR-YBEGLDIGSA-N 385.445 2.698 0 40 GFAB CCOCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6957758 SJNOZGZHDIVSLV-UHFFFAOYSA-N 396.553 2.773 0 40 GFAB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 6963812 NMVRYULXSVOFTI-XNTDXEJSSA-N 398.346 2.589 0 40 GFAB Cc1cc(C(=O)NCCn2c(C)nc3ccccc32)ccc1N1CCNC1=O 53130612 VQWPLXVJCXYOCA-UHFFFAOYSA-N 377.448 2.613 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)N(C[C@H]2CC=CCC2)C[C@H]2CCCO2)cc1 798929 QSAIKWFLQNXUQZ-DOTOQJQBSA-N 379.478 2.911 0 40 GFAB Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c2cc1C 8584100 AMFRTVINHBMZRK-SFHVURJKSA-N 392.459 2.756 0 40 GFAB Cc1ccc(C)c(OC[C@H](O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 23389444 WQQLEAVVOBVKHY-QGZVFWFLSA-N 381.476 2.720 0 40 GFAB Cc1cccc(N2CCN(C(=O)C[C@H](NC(N)=O)c3ccccc3)CC2)c1C 12562734 RJHMYAVDMSPWSK-IBGZPJMESA-N 380.492 2.752 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nc2ccc(Cl)cc2s1 25065454 FPXLEPHWLLLWSR-UHFFFAOYSA-N 387.856 2.768 0 40 GFAB COc1cc(OC)c2c([C@@H]3NC(N)=Nc4nc5ccccc5n43)cn(C)c2c1 1430243 CFFHEWYRADGREW-GOSISDBHSA-N 376.420 2.642 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 25299907 MGEQWZROKXRZBL-GJZGRUSLSA-N 379.420 2.884 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1OCC(N)=O 56160612 DNMQENFWBRLSBG-NSHDSACASA-N 377.828 2.652 0 40 GFAB COc1cccc(C2=NN(C(=O)[C@@H](O)c3ccccc3)[C@@](O)(C(F)(F)F)C2)c1 20070043 PZVIBSGZAXDCIX-WMZOPIPTSA-N 394.349 2.616 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12604575 YVPIVLUPGDVPNS-CQSZACIVSA-N 396.415 2.674 0 40 GFAB C[C@@H](NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 3378402 QUSJRBMOJXNUGJ-CQSZACIVSA-N 384.407 2.987 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCSc4ccccc43)ccc21 10109624 UDBVBEBYEUVODX-CQSZACIVSA-N 381.457 2.677 0 40 GFAB COc1ccc(F)c(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1 100752873 RKYKRPOBHAGYSP-FOIQADDNSA-N 384.455 2.723 0 40 GFAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2c(C)cccc2C)n1 27743832 XIHILTAQKPERHC-UHFFFAOYSA-N 398.282 2.902 0 40 GFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 58421794 ZBVLSMRUWFFSFB-MLGOLLRUSA-N 378.432 2.724 0 40 GFAB COc1cccc(C(=O)NC2CCN(C(=O)c3cnc4ccccc4n3)CC2)c1 36395778 DSDOZCRNUNJLFN-UHFFFAOYSA-N 390.443 2.673 0 40 GFAB CC(C)c1cccc(O[C@H](C)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 48354758 CVHPJXRTJISWTL-UTKZUKDTSA-N 392.565 2.901 0 40 GFAB CCCc1noc(CCCC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)n1 48363964 AGFRKQYDCMEELL-UHFFFAOYSA-N 382.468 2.859 0 40 GFAB C=C1c2ccccc2C(=O)N1CCC(=O)NC1CCN(C(=O)c2ccco2)CC1 11531045 SMQIEEDOPCRVKW-UHFFFAOYSA-N 393.443 2.517 0 40 GFAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1 3462431 GYEGYHIKWBDCJF-NRFANRHFSA-N 381.432 2.881 0 40 GFAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 8749619 GBYRWLCZANIBHD-INIZCTEOSA-N 389.459 2.881 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c(C)c1C 12951223 ZKULMNPNNXXCKR-LJQANCHMSA-N 386.517 2.830 0 40 GFAB CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 8722791 DRJAHWGDGKTMJH-UHFFFAOYSA-N 387.255 2.983 0 40 GFAB COc1cc2[nH]c3c(=O)n(Cc4ccc5c(c4)OCO5)cnc3c2cc1OC 4029895 JDEBDKKALBDZAE-UHFFFAOYSA-N 379.372 2.672 0 40 GFAB biogenic CC(C)N(CCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C 14183242 TXPKTHIVFBHDQB-UHFFFAOYSA-N 390.553 2.641 0 40 GFAB O=C(/C=C/c1cccc(Cl)c1Cl)N1CCN(CC(=O)N2CCCC2)CC1 14251152 QDZRGUXDMGGKPJ-VOTSOKGWSA-N 396.318 2.773 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1 4694245 OIMJAUCPBZSVMS-WMLDXEAASA-N 378.469 2.754 0 40 GFAB C[C@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1ccc2c(c1)OCCO2 6879972 WTPJFOYVEFIUFU-ZDUSSCGKSA-N 381.388 2.764 0 40 GFAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7054380 GMNJFBVNQAJHAI-UHFFFAOYSA-N 388.445 2.541 0 40 GFAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)OCCCO2 65315023 HEHKIQFUSNEQRO-UHFFFAOYSA-N 398.459 2.811 0 40 GFAB COc1cc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc(OC)c1 7919957 MHUGQYDGXUZYEP-CQSZACIVSA-N 397.431 2.808 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccc1-n1cnnn1 7978776 QBTXARSVKMCITR-CYBMUJFWSA-N 375.388 2.880 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 16821384 WYSKYISSCKVOHS-HUUCEWRRSA-N 382.416 2.679 0 40 GFAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 8491847 QUEWYPMGLUNDCG-QHCPKHFHSA-N 391.471 2.737 0 40 GFAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nnc2ccccn12 96116855 AHCWPALHGZFMDU-SJORKVTESA-N 393.495 2.639 0 40 GFAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8550897 RWHRBXDWTKRCRZ-UHFFFAOYSA-N 398.481 2.719 0 40 GFAB Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccn2C)s1 9468380 JNWDMHPSMWWNGQ-UHFFFAOYSA-N 387.490 2.977 0 40 GFAB COc1cccc([C@@H](CO)NC(=O)Cc2ccc(F)c(Br)c2)c1 95457330 UFFLBUDBQHJIPC-MRXNPFEDSA-N 382.229 2.989 0 40 GFAB O=c1[nH]c(CN2CCN(c3ccccc3O)CC2)nc2sc3c(c12)CCCC3 89814103 ZQDXFZZIPCFKRP-UHFFFAOYSA-N 396.516 2.891 0 40 GFAB CCCc1nnc(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)s1 89960560 QXGQSRPBXONQGT-UHFFFAOYSA-N 383.521 2.859 0 40 GFAB CSc1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230756 GULWABBLFFHGFV-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccc(Br)cc1 408612564 SOZYVXBKXPVWHA-UHFFFAOYSA-N 397.294 2.849 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(C)cc1 20488787 CMCMMMZPHBYRIE-UHFFFAOYSA-N 388.489 2.969 0 40 GFAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408606243 OIXRDBKGTYFCEP-INIZCTEOSA-N 382.526 2.647 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408583318 HJEDVBHXKPOFIN-LBPRGKRZSA-N 388.917 2.854 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38731264 INDWERZJHDJCEU-CABCVRRESA-N 388.464 2.741 0 40 GFAB Cc1nn(CCCC(=O)O)c(=O)c2c(-n3cccc3)n(-c3ccccc3)nc12 32918564 YQJZVLMQNPUIHX-UHFFFAOYSA-N 377.404 2.546 0 40 GFAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71980331 GWKNIXCZOKUNCI-IBGZPJMESA-N 382.460 2.968 0 40 GFAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71980330 RYELBSOCEFOSHC-LJQANCHMSA-N 382.460 2.968 0 40 GFAB COc1ccccc1-c1nc(CC(=O)N[C@H](CCSC)C(=O)O)cs1 80356349 WRMCIUVSAHCJCY-CYBMUJFWSA-N 380.491 2.684 0 40 GFAB COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793353 FVOXBBJSXJKAQT-UHFFFAOYSA-N 393.461 2.689 0 40 GFAB CCCOc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 222622758 LRXDEPNARURXAT-UHFFFAOYSA-N 396.553 2.586 0 40 GFAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)NC1CCCC1 49002503 QQSFFJYOZKSKLK-UHFFFAOYSA-N 382.395 2.763 0 40 GFAB COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225106515 PNRJIYAHGNGQBA-UHFFFAOYSA-N 397.424 2.520 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)s1 222665600 KNQXBFSWBJIEHH-LBPRGKRZSA-N 396.538 2.921 0 40 GFAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)c2ccccc2OC)C3)cc1 96112851 KJGPJTNCIPNVIT-KRWDZBQOSA-N 393.443 2.896 0 40 GFAB biogenic,in-vitro Cn1c2ccccc2c2c1cc(C(=O)NCCN1CCCC1)n2-c1ncccn1 96146318 ZEBSRPHNXNBFJH-UHFFFAOYSA-N 388.475 2.738 0 40 GFAB CCOc1ccc([C@@H](N)c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1OC 95534265 IEVSYBNAVWWSCO-HXUWFJFHSA-N 397.479 2.923 0 40 GFAB CC(=O)NCC(=O)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242456 FSFCCMVGIDQMLV-UHFFFAOYSA-N 383.536 2.689 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c1=O 580622898 KXDZIILXMQUFCR-PBGAUENZSA-N 395.434 2.761 0 40 GFAB COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 243082811 IRTHHFDLQCGKDN-UHFFFAOYSA-N 396.443 2.973 0 40 GFAB CC1(C)CC[C@@H]2C[C@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)c3cccc1c32 540677939 PNIFCIOYZAPUPT-WBMJQRKESA-N 389.459 2.858 0 40 GFAB CN(C)CCOc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 257329147 XISKTSSLYCSBOE-GMAHTHKFSA-N 398.503 2.672 0 40 GFAB CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)COc1ccccc1 257243686 IICXXMHWJUPQTL-LJQANCHMSA-N 381.476 2.871 0 40 GFAB CSCC[C@H](CO)NC(=O)COc1cc2oc(=O)c(C)c(C)c2cc1Cl 606440509 YRJNJVRPKFDQFN-GFCCVEGCSA-N 399.896 2.672 0 40 GFAB biogenic C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]1CCc2cc(F)ccc21 668021076 ZCOYEHRGTRUQID-KPZWWZAWSA-N 376.453 2.723 0 40 GFAB COc1cc([C@@H](NC(=O)NCc2cc[nH]n2)C(F)(F)F)cc(OC)c1OC 681495739 VRQHZLLYJZWYOT-CQSZACIVSA-N 388.346 2.538 0 40 GFAB COc1ccccc1OCC(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96366720 DMHWEOVDOJIGSS-MRXNPFEDSA-N 389.473 2.539 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CC(C)(OC)C1)C2 585104861 URBVHAZDBZUWMX-LJQANCHMSA-N 386.536 2.981 0 40 GFAB Cc1ncsc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615277312 TYSVBQBAXYVRGS-IBGZPJMESA-N 375.469 2.989 0 40 GFAB CCOCCCNC(=S)N1[C@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2 12644087 HMAMSDRUYWHYFN-AYHJJNSGSA-N 396.601 2.915 0 40 GFAB Cc1cc(C)cc(NC(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c1 13701056 NFRISZGLHGALJG-UHFFFAOYSA-N 391.479 2.973 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)C[C@@H](C)O1 14169921 GUENCKKRPLHWKH-OKILXGFUSA-N 392.452 2.876 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc(C)ccc2C)c1 14256882 RYQNOSLHFQZNJS-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB COc1cc2nc(CN(C)CCOc3ccccc3F)[nH]c(=O)c2cc1OC 15046216 KXISYVMTNKBLOF-UHFFFAOYSA-N 387.411 2.590 0 40 GFAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1sccc1C)CC3 19238709 ZGFRQMKIRZUIRZ-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCOC)C1 19591434 OINWNDIBRMINFH-OAQYLSRUSA-N 386.517 2.959 0 40 GFAB CNc1cc([C@H]2CCCNC2)nc(CN(C)C(=O)CCc2ccc(OC)cc2)n1 19709954 NLVTZYXAHOKMKL-KRWDZBQOSA-N 397.523 2.585 0 40 GFAB CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)no1 12276637 HIAHIJNAODDOFZ-INIZCTEOSA-N 378.436 2.928 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1OC 12225169 CXBNKGBJCVEMOM-UHFFFAOYSA-N 396.443 2.501 0 40 GFAB CC(C)c1nccn1CCC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1 19454471 KULSSEGKILYQKP-JOCHJYFZSA-N 396.491 2.580 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 13427495 YYARFUCSCIIGCU-SFHVURJKSA-N 382.416 2.550 0 40 GFAB CS(=O)(=O)c1cccc2sc(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)nc12 1889125254 WRMBNPWUTFLGGN-STQMWFEESA-N 377.535 2.620 0 40 GFAB CCOc1cccc2sc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nc12 1889179253 YDAQEECSBGGXRG-LBPRGKRZSA-N 381.523 2.746 0 40 GFAB Cc1cnc(N(C)[C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)nc1 1889241338 HPKAIPHYMXVPCT-QGZVFWFLSA-N 397.504 2.623 0 40 GFAB O=C([C@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCC(F)(F)CC1 2087128253 RMXJMAWMLHHZCK-GFCCVEGCSA-N 379.329 2.563 0 40 GFAB Cc1cccc(NC[C@H]2CO[C@@]3(COCCN(C(=O)C4(F)CCC4)C3)C2)c1 1565548092 QWDJDEMVDPQORU-PXNSSMCTSA-N 376.472 2.933 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)NC 4585765 QXPHGEDNEMXHGU-UHFFFAOYSA-N 380.491 2.770 0 40 GFAB CCOCCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(OC)c(OC)cc21 12422519 DFTLDLQUNVQKAP-VHEBQXMUSA-N 391.449 2.794 0 40 GFAB CCOc1ccc(N2CCn3c2nn(Cc2ccc(Cl)cc2)c(=O)c3=O)cc1 13010304 IAFZNJVPYASIPV-UHFFFAOYSA-N 398.850 2.657 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)cc1F 13697085 VYLYHEKCUAAVDO-UHFFFAOYSA-N 378.425 2.934 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 56998185 OASMFPSSMUXDAN-RTWAWAEBSA-N 398.528 2.824 0 40 GFAB CC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N(C)C 59499304 XDRUWACXQNQFIW-QGZVFWFLSA-N 381.457 2.524 0 40 GFAB Cc1cc(C)c2nc(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cc(C)c2c1 32776049 NOKTWMQZLAIWMT-CABCVRRESA-N 392.546 2.944 0 40 GFAB COC(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 32865245 SMUVXTZDPSWELT-ZDUSSCGKSA-N 375.446 2.970 0 40 GFAB CSCC[C@H](C(=O)Nc1nc(C)c(C)s1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 32808705 LHFPNBBPTJRWSX-MELADBBJSA-N 395.550 2.995 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)n2N)cc1 2642411 IJJQAMGCVRZLBM-ZDUSSCGKSA-N 395.488 2.737 0 40 GFAB C[C@H](c1nnc(SCCNCCO)n1-c1ccc(F)cc1)N1CCCCC1 2639167 VUJQSMRBEBYUKO-OAHLLOKOSA-N 393.532 2.627 0 40 GFAB CCN(CC)C(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 29960347 HSQDOSFGQBLWBO-UHFFFAOYSA-N 378.519 2.977 0 40 GFAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1=O 8280424 PSVKJNXQRPHVOC-LJQANCHMSA-N 397.460 2.722 0 40 GFAB CC(C)(C)c1nc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)no1 46765975 XLWOAXAUWZOVAT-UHFFFAOYSA-N 386.857 2.907 0 40 GFAB COc1cccc(CNC(=O)CCn2nc(-c3cccc(OC)c3)ccc2=O)c1 41254092 LQZNLZCQOPTUQQ-UHFFFAOYSA-N 393.443 2.634 0 40 GFAB C[C@@H](CS(C)(=O)=O)N(C(=O)COc1ccc(C(F)(F)F)cc1)C1CC1 79093766 XMZZICLPKYZYJA-NSHDSACASA-N 379.400 2.508 0 40 GFAB Cc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 4888733 SRJRLPJRYLQFSP-UHFFFAOYSA-N 376.453 2.717 0 40 GFAB COc1cc(CCC(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 6639172 SGIVRBIIHXWHBE-GOEBONIOSA-N 393.480 2.883 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 8470204 IHFQUXIDEHXIKB-INIZCTEOSA-N 384.432 2.865 0 40 GFAB CN(CC(=O)NCCOc1cccc2ccccc12)S(=O)(=O)c1ccccc1 55775484 IKQGKGCRUPUIQT-UHFFFAOYSA-N 398.484 2.656 0 40 GFAB CC(C)C[C@@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)N1CCOCC1 22970684 INWUOTOCYGSYIS-IBGZPJMESA-N 396.535 2.838 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 104873329 JBKJGQBWJCVMOK-GDBMZVCRSA-N 382.482 2.517 0 40 GFAB CC(C)c1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 23652486 KNEJKBWODXLZAQ-UHFFFAOYSA-N 386.448 2.791 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C)s1 3282540 CHHWRIHHFYWZBY-UHFFFAOYSA-N 396.852 2.630 0 40 GFAB CCOc1ccc(NC(=O)CCc2ccccc2O)cc1S(=O)(=O)N(C)C 12690107 MCCLQPRKCAWUQJ-UHFFFAOYSA-N 392.477 2.613 0 40 GFAB CCN(CC)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 107976297 AIOIDCFSKXIYOK-UHFFFAOYSA-N 394.468 2.898 0 40 GFAB COc1cc2c(cc1OC)CN(Cn1nc(-c3ccccc3)ccc1=O)CC2 57085045 JMPOGLFWYZICMK-UHFFFAOYSA-N 377.444 2.943 0 40 GFAB Cc1ccc(CNC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1 57486042 GWSNKBSHXCUELT-UHFFFAOYSA-N 385.489 2.506 0 40 GFAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1nc2nc(C)cc(C)n2n1 48219770 DTXYZEHWKJZMLE-KRWDZBQOSA-N 395.463 2.571 0 40 GFAB CSc1ccc(CNc2ncc3c(=O)n(C4CCCC4)c(=O)[nH]c3n2)cc1 101462599 HEQCWXIKWLIVSN-UHFFFAOYSA-N 383.477 2.929 0 40 GFAB CCN(CC)CCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCCC4 2222471 OLOJUPGCWFXHRV-UHFFFAOYSA-N 386.525 2.598 0 40 GFAB O=C(N[C@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccc(Cl)cc1Cl 2322189 BDXZWGBMGBITPE-LBPRGKRZSA-N 398.193 2.927 0 40 GFAB Cn1cc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c2ccccc21 48325158 FYZNTJQGMYUGQX-UHFFFAOYSA-N 375.350 2.893 0 40 GFAB CCc1ccccc1OCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 48353787 NYNKAXHYICWJIW-UHFFFAOYSA-N 381.520 2.692 0 40 GFAB O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCCCc1ccccc1 17057229 ZIMVHBFAZRPZDJ-UHFFFAOYSA-N 394.475 2.684 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCn1cnc2ccccc2c1=O 12914091 IAGKPCJOMSQBHL-UHFFFAOYSA-N 398.850 2.503 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)CCOc3ccccc3)CC2)c1C 12903879 GTQUAGOLGIHGDK-UHFFFAOYSA-N 395.503 2.855 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 13313523 LMCGGXZYXIIMNB-UHFFFAOYSA-N 388.489 2.849 0 40 GFAB Cc1nc(C(=O)N[C@@H](C)C(=O)NCc2ccncc2)cc2c1[nH]c1ccccc12 4000370 LJEQISVTUXQRMT-AWEZNQCLSA-N 387.443 2.854 0 40 GFAB biogenic CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 8479526 BPCDBFUQVJJKHP-MRXNPFEDSA-N 392.477 2.887 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(N)s2)sc2c1CCC2 5016458 FGLUDTXZUHHPJB-ZETCQYMHSA-N 398.535 2.967 0 40 GFAB COc1cccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)c1OC 13748718 POTZMDFGUFJQTN-GDNBJRDFSA-N 383.404 2.522 0 40 GFAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 13724734 BDHXAIILABTKQK-KRWDZBQOSA-N 390.487 2.631 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)CCN1C(=O)c2ccccc2C1=O 39995705 BVCVTPLWJVGPAC-UHFFFAOYSA-N 391.471 2.932 0 40 GFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1(C)C 14188838 OZJVSYFWIMGDRE-CRAIPNDOSA-N 394.512 2.897 0 40 GFAB COc1ccc([C@H]2C[C@H](c3ccc(OC)c(OC)c3)n3nnnc3N2)cc1OC 6756396 OKGJKPZQDOUAHU-HUUCEWRRSA-N 397.435 2.854 0 40 GFAB COCCNC(=O)CSc1ccccc1C(=O)N1CCc2ccccc2C1 6881690 FVIBRNNVJIVSKV-UHFFFAOYSA-N 384.501 2.740 0 40 GFAB Cc1cc(C)c(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c(C)c1 6999131 CPZAGRYKJCTWBK-UHFFFAOYSA-N 396.426 2.816 0 40 GFAB O=C(NC1CC1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 7062051 CNXDITMRDWARGM-UHFFFAOYSA-N 382.844 2.850 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)CN2c3ccccc3CC[C@H]2C)ccc1C 7217969 QEPQHPRMYRSXQY-OAHLLOKOSA-N 387.505 2.683 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)c1 7889248 KABGAGAYHTYEMX-UHFFFAOYSA-N 398.528 2.939 0 40 GFAB Cn1c(=O)n(C)c2cc([C@H](O)COc3ccc(CNC(C)(C)C)cc3)ccc21 16322897 OLNUWDLUKOYOKO-HXUWFJFHSA-N 383.492 2.878 0 40 GFAB O=C(COC(=O)Cc1n[nH]c2ccccc12)N[C@@H]1CCCC[C@@H]1C(F)(F)F 95389966 JPWNSSDUCPVZGT-GXTWGEPZSA-N 383.370 2.886 0 40 GFAB CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc(OCC2CC2)nc1 83984697 MORHLYHTQAWEJH-UHFFFAOYSA-N 378.425 2.806 0 40 GFAB CCOc1ccccc1N1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 96888428 UKSJLGIRYGUGOF-QGZVFWFLSA-N 378.480 2.944 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)CC(=O)NCC(F)(F)F 84017174 MBPUREXQXQYTBC-RUZDIDTESA-N 393.818 2.761 0 40 GFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c(OC)c1 95480202 AZYGSWLFSPLNFS-LBPRGKRZSA-N 380.404 2.572 0 40 GFAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 84101476 XHHICWUCMQTKHK-UHFFFAOYSA-N 397.460 2.708 0 40 GFAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C1CCN(Cc2ccccc2)CC1 95983652 YTLGWNAMLKMHGW-NRFANRHFSA-N 396.535 2.849 0 40 GFAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)C(=O)O 95970433 IGKJYUPICDCGFI-HNNXBMFYSA-N 394.424 2.528 0 40 GFAB CCOC(=O)[C@]1(C)CCN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)C1 89978203 PTPOOFHOSVCPFR-OAQYLSRUSA-N 385.464 2.588 0 40 GFAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 408625728 FIPZKZPTACGYCY-UHFFFAOYSA-N 382.917 2.622 0 40 GFAB CSc1ncc(C(=O)N2CCO[C@@]3(CCCC[C@H]3N3CCCC3)C2)c(C)n1 306138436 RXMSSJYEBIQPNZ-XLIONFOSSA-N 390.553 2.757 0 40 GFAB CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 30361217 LZXJWJJPCPKQOY-UHFFFAOYSA-N 382.526 2.711 0 40 GFAB COc1ccc(CNC(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1 670232679 GECFMNFXNCZLHQ-JOCHJYFZSA-N 384.476 2.809 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)c2cnccn2)n1 72360261 OVIQKLAYVVGIOD-KRWDZBQOSA-N 375.436 2.999 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cccc(F)c1 224799057 NMPYYGHBDPTUBI-UHFFFAOYSA-N 394.468 2.567 0 40 GFAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 222540380 UIDMKFPNFWTCDD-INIZCTEOSA-N 388.489 2.759 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 225710804 CFQVMVKZEWSTHX-ZDUSSCGKSA-N 392.477 2.591 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccccc1Cl 225711998 JRVTUEIYFKJBQD-GOSISDBHSA-N 381.881 2.851 0 40 GFAB CCSc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)s1 224576117 XLXQADDFPLZKAB-UHFFFAOYSA-N 392.915 2.927 0 40 GFAB CC(C)Oc1cccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 223666368 SAGRVOPIBQVMNT-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB C[C@@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919293 FHCUTOFYCHGSLU-KRWDZBQOSA-N 386.467 2.674 0 40 GFAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 225785065 KHYKJAGXWMEGEX-OGWHTMIXSA-N 388.895 2.897 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 224005711 WLWARZSVGCPAFH-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB O=C(NCCCc1ccccn1)c1nc(-c2ccc(N3CCCCC3)nc2)no1 98086535 KPCVIXAWJMYFNU-UHFFFAOYSA-N 392.463 2.880 0 40 GFAB Cc1ccccc1NC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C 96037564 HUCUUBRILRTTKM-UHFFFAOYSA-N 377.448 2.879 0 40 GFAB COc1ccc(NC(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1 96237810 HMRVEMDHEVJWOZ-QFIPXVFZSA-N 394.475 2.650 0 40 GFAB CC(C)(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 604382145 HMFMZNOIEXKYSR-XRXFAXGQSA-N 399.535 2.592 0 40 GFAB biogenic,in-vitro CC(=O)N[C@@]12CN(C(C)=O)CC[C@@H]1[C@@H](c1ccccc1)N(Cc1ccccc1)C2 257275841 NREFPMQDBKDQCR-WXFUMESZSA-N 391.515 2.987 0 40 GFAB COc1ccc(CCC(=O)N[C@@H](Cn2nccn2)c2ccccc2)c(OC)c1 253401472 MZWYDCCVAVMZOU-IBGZPJMESA-N 380.448 2.786 0 40 GFAB Cc1nc(C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)cc(C(=O)N(C)C)n1 257254208 KCESRAIVXIHNGK-HNNXBMFYSA-N 384.455 2.721 0 40 GFAB O=C(Cc1cnn2ccccc12)N1CCC(n2ccc(C(F)(F)F)n2)CC1 648349014 YFLOFVYRAVOGRQ-UHFFFAOYSA-N 377.370 2.956 0 40 GFAB CN1CCO[C@H]([C@@H](NC(=O)NC[C@@H]2CCOC2(C)C)c2ccc(Cl)cc2)C1 664562274 PFPORUFYZXTKNH-SZMVWBNQSA-N 395.931 2.826 0 40 GFAB CS(=O)(=O)N1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 43980252 MUPRZRFALTUFKU-UHFFFAOYSA-N 398.956 2.940 0 40 GFAB O=C(C1CC(O)C1)N1CCC[C@@]2(CCCN2c2ncnc3ccsc23)CC1 585101714 AYHXCLPFPXHFRH-NODKNVJMSA-N 386.521 2.814 0 40 GFAB CO[C@H](C)c1nc(CNc2ncnc3ccc(S(C)(=O)=O)cc23)cs1 683392237 XIPOCOMCTPVQHW-SNVBAGLBSA-N 378.479 2.809 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 5192330 SVCPNLYIKQYGPF-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB COc1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc(OC)c1 12121977 SJHDMOPIJPXPPI-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB C/C(Cl)=C\CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 12532178 KEKSUNAHEDTHEU-FMIVXFBMSA-N 390.896 2.717 0 40 GFAB COc1ccc(NC(=O)COC(=O)Cn2c(C)nc3ccccc32)cc1OC 12659182 YQRTZMPDPFJHMM-UHFFFAOYSA-N 383.404 2.544 0 40 GFAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(N2CCCS2(=O)=O)cc1 12822736 HUXGVNXSIFKMKG-UHFFFAOYSA-N 388.474 2.930 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 12981659 JLOUKNGBLMWLBG-CQSZACIVSA-N 378.425 2.535 0 40 GFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)CC1 14429376 OSACBKNTHPRXSQ-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB O=C1NC(=O)[C@H](Cc2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)S1 15057229 WGZCBRZTJAGVGP-QMMMGPOBSA-N 399.379 2.766 0 40 GFAB CCCC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19501491 JNMRBMKPMZMJQJ-HSZRJFAPSA-N 395.503 2.777 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)c4csc(C)c4)C3)ncc2C1 19571775 DWHBKABNKCCAEJ-HNNXBMFYSA-N 384.505 2.771 0 40 GFAB COc1cccc(CN2CCN(C(=O)CCn3nnc4ccccc43)[C@@H](C)C2)c1 19575576 LPAICYDKISVQMB-KRWDZBQOSA-N 393.491 2.563 0 40 GFAB CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C3 19816593 OTLSZHCLYNSNDW-LLVKDONJSA-N 382.420 2.625 0 40 GFAB COc1cc(C(N)=O)cc(I)c1OC(=O)c1ccccc1 226364482 RXMRLVFCPUPOTA-UHFFFAOYSA-N 397.168 2.618 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](c1cccc(Cl)c1)N(C)C 19664852 FHIWMVBMOYZINO-LJQANCHMSA-N 398.894 2.777 0 40 GFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCn3nc(C4CC4)cc3C2)cc1 390829843 GZCWBMCVWFXHOB-UHFFFAOYSA-N 387.505 2.528 0 40 GFAB Cc1nc(C)c(C)c(OCC2CCN(c3c(C)c(C)nc4ncnn34)CC2)n1 1888901300 FSELEJZDAABEJP-UHFFFAOYSA-N 381.484 2.752 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 28729569 OCHCHPPHKCITSH-CQSZACIVSA-N 388.942 2.665 0 40 GFAB Cc1ccc(C)c(OCC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1 1775986049 QZRRAIOPZDXQNP-UHFFFAOYSA-N 381.476 2.980 0 40 GFAB CN([C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1)S(=O)(=O)C1CC1 2087151712 KSQLYZLSAPRVQS-CQSZACIVSA-N 392.443 2.974 0 40 GFAB O=C(Cc1ccccn1)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 1565542418 WSCWJAYWOWOYOM-UHFFFAOYSA-N 381.451 2.805 0 40 GFAB O=C(CSc1ncnc2c1nnn2-c1ccccc1)NCCc1ccccc1 4273736 VDIMMWUKCYOPON-UHFFFAOYSA-N 390.472 2.662 0 40 GFAB O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 4593306 RSGURPYXAJJYPG-QTDGGUCWSA-N 393.414 2.851 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1cc(F)ccc1F 6918578 FQJUXWPYHCNWET-UHFFFAOYSA-N 383.401 2.807 0 40 GFAB COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)cc1 1775968828 MRGKTAYQCXTTBX-CQSZACIVSA-N 386.429 2.805 0 40 GFAB COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1C 23127673 FQSAUBLOVCBQKU-UHFFFAOYSA-N 378.494 2.787 0 40 GFAB O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CC(=O)N(CCOc2ccccc2)C1 30952993 BOYNUCDRSGNEDM-UJXOHREUSA-N 382.504 2.855 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)CCOc2ccc(C)cc2C)ccc1C 40069328 REJPGPVCRGBXFM-UHFFFAOYSA-N 376.478 2.928 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCCC2)cc1 20068804 JQRXTXHCBZKXSY-IAGOWNOFSA-N 387.509 2.757 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NCCCN(C)c2ccccc2)CC1=O 40160086 BPVIOFVMZDSMSM-QGZVFWFLSA-N 381.476 2.691 0 40 GFAB COc1cc2ncnc(N3CCN(c4ccccc4OC)CC3)c2cc1OC 32544286 OTRKBWNAVFQFNL-UHFFFAOYSA-N 380.448 2.982 0 40 GFAB CCOC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OCC)c2c(C)cc(=O)oc2c1 715417 GMPBVNFEZAJVTB-STQMWFEESA-N 392.404 2.762 0 40 GFAB biogenic CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCCC1 910839 LGUHCTZHSAFFIV-GOSISDBHSA-N 396.495 2.854 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)c(OC)c1 1340440 QRRALSULLYVSQR-UHFFFAOYSA-N 377.470 2.926 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 32906405 BWGSNVKHVRIISC-GFCCVEGCSA-N 391.269 2.791 0 40 GFAB Nc1cc(OC(=O)c2ccc(F)cc2)nn1S(=O)(=O)c1ccc(Cl)cc1 4562826 ZTCKYANMQBQPQH-UHFFFAOYSA-N 395.799 2.714 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885745 RJLMGMCXBGHCTN-IAGYGMIVSA-N 398.484 2.828 0 40 GFAB O=S(=O)(NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1)c1ccc(F)cc1 12197408 VQMLTYHAUYCYCT-KRWDZBQOSA-N 392.452 2.670 0 40 GFAB NC(=O)COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 96319000 PVUKIFGMWYAODU-HZPDHXFCSA-N 383.839 2.942 0 40 GFAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)Cc1ccc(OC(F)F)cc1 41815304 ODCVWZQDEGLQJR-ZDUSSCGKSA-N 381.404 2.917 0 40 GFAB O=C1NC(=O)[C@H]2[C@H]1[C@@H]1C=Cc3cc(F)ccc3N1[C@@H]2C(=O)c1ccccc1Cl 103458221 NVPOKVXVPBYCIS-MHORFTMASA-N 396.805 2.835 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)CC1 51318155 SLFMIRTZNUKXNB-UHFFFAOYSA-N 391.859 2.580 0 40 GFAB CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 1003866 UJMZIXLKALSBCW-UHFFFAOYSA-N 377.491 2.735 0 40 GFAB Cc1ccc(C2=NN(C(=O)[C@@H](O)c3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 20070054 HTZMUQDCBPVADW-FUHWJXTLSA-N 378.350 2.916 0 40 GFAB CCc1nc(S[C@H](C)C(=O)NC(N)=O)nc(N)c1-c1ccc(Cl)cc1 25066175 NUKLHGHAPCEGCK-MRVPVSSYSA-N 379.873 2.617 0 40 GFAB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(-n2ccnc2)cc1 12603518 KKZAHPYJTNVTRC-INIZCTEOSA-N 390.443 2.865 0 40 GFAB O=C(N1CCN(c2nnnn2-c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 12688112 LANLFOIRUBAXKX-UHFFFAOYSA-N 392.507 2.527 0 40 GFAB CCS(=O)(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 100755749 MZNPPLXSNIAPOJ-CXAGYDPISA-N 398.488 2.816 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 3333516 ACIZAHQKIUKXPO-OAQYLSRUSA-N 397.862 2.692 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2=NCCS2)cc1 3302537 JTYKHCWHHUUUMU-UHFFFAOYSA-N 389.502 2.734 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cn2cccn2)cc1 11001754 GVOHRYVSCSFQDY-GOSISDBHSA-N 381.457 2.580 0 40 GFAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 11463185 UDUIGBPXQDXCIZ-UHFFFAOYSA-N 389.337 2.812 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cn1 12752921 QHDBFHLPBMLFAS-UHFFFAOYSA-N 382.416 2.597 0 40 GFAB C[C@@H]1CCCC[C@H]1OCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 46056903 IPCLWZQNRUZLNQ-YLJYHZDGSA-N 377.504 2.977 0 40 GFAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 48331800 DYNNRKUQIJHXEW-UHFFFAOYSA-N 379.434 2.746 0 40 GFAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(S(C)(=O)=O)c1 48361623 KJVCTEFRXAWTIP-INIZCTEOSA-N 389.473 2.782 0 40 GFAB Cn1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 12822486 CBWLULIBXQHWOB-GOSISDBHSA-N 378.432 2.896 0 40 GFAB Cc1noc(C)c1CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 62520327 XXPHVDHOXSXHPT-SFHVURJKSA-N 379.416 2.768 0 40 GFAB CC(C)(C)c1cc(NC(=O)COC(=O)C2=COCCO2)n(-c2ccccc2)n1 3514151 FGNHVOPAQLLFHT-UHFFFAOYSA-N 385.420 2.540 0 40 GFAB CCn1nc(C(=O)OCC(=O)Nc2cc(C)ccc2C)c2ccccc2c1=O 8806987 KJVPUQWANVXFQM-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2N)cc1 409196858 ROHHQLMQXVYZSS-UHFFFAOYSA-N 383.477 2.919 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3Cl)C2=O)cc1 4477036 UTWNSJMISGXDGL-HXUWFJFHSA-N 385.851 2.732 0 40 GFAB COc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)N2CCOCC2)cc1 14083574 XOYBTAJDWVVAPG-JOCHJYFZSA-N 393.487 2.909 0 40 GFAB COc1ccccc1N1C(=O)N=C(O)/C(=C2\C[C@H](c3cccs3)NN2)C1=O 8995873 YBSRHLWHGHTMAC-BXSDCGNMSA-N 384.417 2.673 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC1CCCC1 14424078 LMFLNJOHMVZEMQ-UHFFFAOYSA-N 391.427 2.594 0 40 GFAB Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n(C(C)(C)CO)cc2n(C)c1=O 6660997 FIHVRTYCXVYCQG-UHFFFAOYSA-N 396.274 2.740 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)ccc21 6657695 KYBSHEOSZLENGH-UHFFFAOYSA-N 393.230 2.851 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)NC1CCCCC1 408554001 AZJPOZAXUFQRAJ-UHFFFAOYSA-N 387.505 2.931 0 40 GFAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCCO)cc1 4869762 XKVIWHPUESDCIP-ZHZULCJRSA-N 391.471 2.756 0 40 GFAB Cn1cccc1C(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205934 LJNOJTSJEACZSC-UHFFFAOYSA-N 380.404 2.824 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)no1 15513428 XJHBBPPUEYFSCB-LLVKDONJSA-N 391.811 2.947 0 40 GFAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2O1 7275009 QDVQPGAQSWSGSS-OAQYLSRUSA-N 393.487 2.908 0 40 GFAB COC[C@@H](C)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 7737369 VRQFIRIUGYTBMF-GFCCVEGCSA-N 389.502 2.690 0 40 GFAB CCN1C(=O)N[C@@H](c2c(F)cccc2Cl)C(C(=O)N2CCOCC2)=C1C 7987385 MDTYWYABWKQAHS-MRXNPFEDSA-N 381.835 2.698 0 40 GFAB O=C(C[S@@](=O)Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 84403272 QXDYENRSXFFLSI-AREMUKBSSA-N 378.444 2.562 0 40 GFAB COc1ccc(C(=O)COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1F 23298495 LTAMMZJKNNYUQG-UHFFFAOYSA-N 399.374 2.523 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cnccn1 95998573 VTHSPBISWSNKBC-SFHVURJKSA-N 381.411 2.632 0 40 GFAB O=C(NCCc1ccn(-c2ccccc2)n1)c1nn(-c2ccc(F)cc2)cc1O 95964483 KJWYHJVUYPJLGK-UHFFFAOYSA-N 391.406 2.875 0 40 GFAB O=C(CCc1ccccc1Br)NC[C@@H]1CN2CCCC[C@@H]2CO1 89813882 JWEYFBSCHUFBGO-HZPDHXFCSA-N 381.314 2.751 0 40 GFAB CCOc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NC(C)C 408700887 NQJWRSUDKHPODB-UHFFFAOYSA-N 376.478 2.702 0 40 GFAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 68935305 WKTDDJBYQUKGBK-RHSMWYFYSA-N 376.453 2.732 0 40 GFAB O=C(Cc1cc(Cl)cc2c1OCC2)NCC1(N2CCCC2)CCOCC1 544486716 IJYBIKCIQFIXDV-UHFFFAOYSA-N 378.900 2.579 0 40 GFAB COc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409191244 FGLIVVZIEUEVDA-MHWRWJLKSA-N 395.415 2.544 0 40 GFAB O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CC[C@]21CCN(CC2CC2)C1 306130465 JHHDIBHJEJQBPR-DEOSSOPVSA-N 390.531 2.559 0 40 GFAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)NCc1ccccc1 409133743 RFRVXDWJQWFIAN-OAHLLOKOSA-N 386.835 2.553 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 33587772 CCUHBJUTEDYGFM-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)co1 508642097 VGUWMBZSAYAFKH-VBKZILBWSA-N 396.422 2.862 0 40 GFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)no1 36408759 BAWOWLXNNAZIEA-UHFFFAOYSA-N 397.262 2.686 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 32983796 SYVQAIQCDQXFBC-FQEVSTJZSA-N 386.517 2.965 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2cc(C(=O)O)nc(-c3cccs3)c12 73666987 OYJNQKOVLQQMKY-SNVBAGLBSA-N 377.447 2.526 0 40 GFAB CSc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44786578 HFQAKWZPPDMJAW-QGZVFWFLSA-N 392.502 2.964 0 40 GFAB COc1cc2c(cc1S(=O)(=O)NC[C@H]1COc3ccccc3O1)CCCC2 225283034 ITSBSBJGKBEUGG-INIZCTEOSA-N 389.473 2.692 0 40 GFAB O=C(C1CCN(c2ncccn2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1 40132701 AZSQBNNCYCORTN-UHFFFAOYSA-N 390.491 2.976 0 40 GFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-n1cnnc1 222819594 JHBQNIQJVCRZFJ-ROUUACIJSA-N 381.509 2.784 0 40 GFAB CCOc1cccc(Cn2c(=O)[nH]c3c(-c4ccccn4)nsc3c2=O)c1 49409987 QZTGKAOXVPVLRR-UHFFFAOYSA-N 380.429 2.655 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222723635 PBFPSSZTDKXSMM-UHFFFAOYSA-N 394.468 2.946 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N(C)c1ccccc1 222770867 MSMYZAPECQSVDQ-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB CCCCCn1c(Sc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2C 96306470 CBRIVTZJKCOPOR-UHFFFAOYSA-N 384.465 2.641 0 40 GFAB Cc1noc2nc(C(C)C)cc(C(=O)NCCn3cnc4ccccc4c3=O)c12 1081814711 PPVDRPWEFVBGGK-UHFFFAOYSA-N 391.431 2.795 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3C)=NO2)C1 96226131 BESCBNPMSMVBFN-LJQANCHMSA-N 384.461 2.760 0 40 GFAB COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 244017369 SOKRRYLKIFSHMC-UHFFFAOYSA-N 396.443 2.957 0 40 GFAB CC(C)(C)C(=O)N1CCN2[C@H](CN(C(=O)c3ccccc3F)CC2(C)C)C1 253400119 KRJCLTGJQIMZIP-HNNXBMFYSA-N 375.488 2.619 0 40 GFAB biogenic,in-vitro O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 260913063 ZVLSTRCBPUVZAW-HKUYNNGSSA-N 384.451 2.994 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@H]2C)n1 260737528 LPRHHAQFOTWXKD-OAHLLOKOSA-N 392.573 2.779 0 40 GFAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(-c3nncs3)cc2)C1 626549202 CHFCCHRIXPCXJO-IXDOHACOSA-N 387.509 2.968 0 40 GFAB O=C(O)[C@H](c1ccsc1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 656764148 UPHVJKJGYQVNMT-CVEARBPZSA-N 380.491 2.780 0 40 GFAB CC[C@@H](C(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1)c1ccccc1 390830746 NBFUVTWNPWMNOO-QGZVFWFLSA-N 392.459 2.854 0 40 GFAB CCCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 55835376 JWTFSIKIULLUAQ-MRXNPFEDSA-N 395.459 2.827 0 40 GFAB O=C(Nc1cnccn1)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 58146133 VGMWQKJIYPLNOZ-UHFFFAOYSA-N 397.435 2.521 0 40 GFAB CCOc1ncccc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615155675 HGJBQTDPDJCPHK-UHFFFAOYSA-N 395.459 2.519 0 40 GFAB O=C(NCC1CCOCC1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772596027 ZSUIMKZIKUJJCH-DYXWJJEUSA-N 388.483 2.760 0 40 GFAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12 14876986 XBKDVTJRKZUQOR-UHFFFAOYSA-N 392.506 2.962 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2F)c1 18160616 NKJXAZUUHZTVFD-UHFFFAOYSA-N 396.509 2.739 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@H]([C@@H](NC(C)=O)c2ccccn2)C1 19020283 BBMPAIMSEDKACR-PGRDOPGGSA-N 381.476 2.749 0 40 GFAB COc1ccc([C@@H](C)NC(=O)C[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1F 19458628 NOPGOCKHDJIZBZ-MLGOLLRUSA-N 391.443 2.655 0 40 GFAB CCC(=O)N1CCO[C@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC)C1 19498981 JHRHLQGYPKXLPL-QFIPXVFZSA-N 384.451 2.789 0 40 GFAB COc1ccc(CCCC(=O)N2CCC(O)(Cn3ccnc3C)CC2)c(C)c1 19570545 RJGVNACDTLLGEE-UHFFFAOYSA-N 385.508 2.885 0 40 GFAB Cc1ccc(C(C)(C)C(=O)N2CC[C@H](C(=O)NCCN3CCCCC3)C2)cc1 19745424 GDGOAVBJNMAQBA-IBGZPJMESA-N 385.552 2.723 0 40 GFAB NC(=O)[C@@H]1CC[C@H](NC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)C1 650083285 KEJLAUDMIKCGRR-PWSUYJOCSA-N 393.369 2.623 0 40 GFAB COc1cc2cc(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)ncc2cc1C 12188084 ZPIFJDKKJITGCT-SFHVURJKSA-N 381.476 2.736 0 40 GFAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 390825993 WUNHZAQQDICQIF-RDTXWAMCSA-N 386.427 2.583 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)s1 1147237751 SFWFPEMCZAJUKM-UHFFFAOYSA-N 385.489 2.798 0 40 GFAB O=C(CCn1cncn1)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 2037846209 VGCDJTJANPDEDM-UHFFFAOYSA-N 396.881 2.855 0 40 GFAB Cc1cc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n2nc(C)cc2n1 2087045386 ZISYPIKPNGXJSI-UHFFFAOYSA-N 386.463 2.525 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H]3CN(c4ccc(F)cn4)C[C@@H]32)cc1OC 2087144447 BSOHHWKQKJDEQP-RDJZCZTQSA-N 385.439 2.518 0 40 GFAB CCOc1ccc(Cc2nnc(Nc3ccc(OC)cc3OC)[nH]c2=O)cc1 5154328 AHLVXRMSVVZTFM-UHFFFAOYSA-N 382.420 2.915 0 40 GFAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccco1)CSC2 5437770 PPUXNUKCHMYNCI-UHFFFAOYSA-N 382.445 2.775 0 40 GFAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1cc(F)ccc1F 8864258 WQGHDAVCKDHEGI-INIZCTEOSA-N 379.432 2.918 0 40 GFAB CSc1ccccc1C(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 10251704 RRNFPEYTMXWOTI-UHFFFAOYSA-N 391.456 2.996 0 40 GFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(OC)c1OC 5416044 VZZGOFFAASRKFC-SFHVURJKSA-N 397.431 2.979 0 40 GFAB Cc1nc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)cc(C(F)(F)F)n1 225733666 UJHQRTUOKSKDCB-UHFFFAOYSA-N 393.413 2.832 0 40 GFAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC2CC2)o1 40088797 GAFDJLYSBNZHEA-UHFFFAOYSA-N 388.367 2.669 0 40 GFAB C[C@]1(c2cccc(NC(=O)CCc3nc4ccccc4s3)c2)NC(=O)NC1=O 40110924 PEILEVSXIFDGOB-HXUWFJFHSA-N 394.456 2.922 0 40 GFAB CC1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)C1=O 40159989 FDMJQLSLGYVDGU-UHFFFAOYSA-N 384.870 2.794 0 40 GFAB Cc1nc2nc(SCC(=O)N3CCC(c4ccccc4)=N3)nn2c(C)c1C 40119242 RITMRNDUSREFNY-UHFFFAOYSA-N 380.477 2.778 0 40 GFAB CC1(C)Cc2c(sc3nc(SCCN4CCOCC4)nc(N)c23)CO1 20357818 OVQQOEWDIOKGGX-UHFFFAOYSA-N 380.539 2.549 0 40 GFAB CC(=O)NC1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CC1 50992156 WGSDTMBJBJANIM-UHFFFAOYSA-N 397.523 2.709 0 40 GFAB O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc2c(=O)[nH]c(S)nc2c1 51462621 ZGXQGDPZEIEVRN-UHFFFAOYSA-N 382.420 2.805 0 40 GFAB CC(=O)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 32493491 OICRBGODRKYLEQ-ZDUSSCGKSA-N 375.425 2.976 0 40 GFAB CC(=O)N[C@H](CC(=O)NCc1ccccc1Cn1ccnc1)c1ccccc1 32860001 SOOAWHMPQLRPHL-OAQYLSRUSA-N 376.460 2.815 0 40 GFAB CCN1C[C@@H](CN(C)CC(=O)Nc2cc(OC)cc(OC)c2)Oc2ccccc21 21672396 WFHKNOBBKDFJGE-LJQANCHMSA-N 399.491 2.862 0 40 GFAB CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1 60352837 DDQFVDRBNAZWLV-OLZOCXBDSA-N 377.242 2.883 0 40 GFAB CCn1nc(C)c(S(=O)(=O)Nc2ccccc2NC2CCN(C)CC2)c1C 79105402 AWTMTFFGWSHSFE-UHFFFAOYSA-N 391.541 2.827 0 40 GFAB COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@H]1OC(C)=O 4427729 PVEAODUKPHUVRQ-JFIYKMOQSA-N 379.478 2.566 0 40 GFAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2ccc(Cl)cc2)CC1 22087478 KIJLMIGLEKWXAU-UHFFFAOYSA-N 375.900 2.734 0 40 GFAB CCC(C)(C)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 10032019 KUOLNLOLCVJBTI-UHFFFAOYSA-N 381.542 2.886 0 40 GFAB COc1ccc(-n2c(=O)[nH]c(=S)cc(-c3ccc4c(c3)OCO4)c2=O)cc1 8782864 BSALWWPWMXLMRG-UHFFFAOYSA-N 382.397 2.660 0 40 GFAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCCO2 42124881 JDCZOJBYYLIEDK-LBPRGKRZSA-N 385.372 2.761 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)cc1 2917404 HBUFUOUEAGHNJV-UHFFFAOYSA-N 390.399 2.534 0 40 GFAB Cc1ccc(NCC(=O)N2CCCC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 54531006 WWTPREBBRXEPNZ-QGZVFWFLSA-N 393.553 2.983 0 40 GFAB O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCOCC1 980819 BYTZZQQDCBSUMS-JOCHJYFZSA-N 396.512 2.976 0 40 GFAB Cc1ccc(SCCNC(=O)Cn2nc(O)c3ccccc3c2=O)cc1C 23539089 NVEQOXBFHHYPOR-UHFFFAOYSA-N 383.473 2.627 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1 23890191 STCVLSGGXNIWSU-UHFFFAOYSA-N 384.461 2.811 0 40 GFAB Cc1sc2ncnc(NCCCN3CCN(c4ncccn4)CC3)c2c1C 23888279 RKSKFLHNJLVFRZ-UHFFFAOYSA-N 383.525 2.722 0 40 GFAB O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccnc1 1288058 SGDBMPMIZUPABW-UHFFFAOYSA-N 382.379 2.577 0 40 GFAB C[C@H]1CN(C[C@@H](O)CSc2nnc3sc4ccccc4n23)C[C@@H](C)O1 106141286 FXEHGUDJECJREL-FRRDWIJNSA-N 378.523 2.506 0 40 GFAB Cc1ccc(CSCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 25064445 PDPWNTMYSDKPHY-UHFFFAOYSA-N 392.546 2.665 0 40 GFAB CNC(=O)[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2Br)o1 97165610 CJPLVYFBTWOVHJ-OCCSQVGLSA-N 393.285 2.894 0 40 GFAB COC(=O)c1ccc([C@H]2C=C(C(=O)O)Nc3nc(-c4ccccc4)nn32)cc1 102335885 ALUCTQDNOURYGE-MRXNPFEDSA-N 376.372 2.715 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2Cl)c1 25125795 JGWCBKKNSMXLFE-UHFFFAOYSA-N 384.860 2.804 0 40 GFAB CC(C)[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1nc2ccccc2[nH]1 12547371 BRNYPIYMJWOJSS-IBGZPJMESA-N 377.448 2.730 0 40 GFAB O=C(NCc1ccco1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100837828 NTXAEMXTNHARBB-RKGSWTEASA-N 388.423 2.767 0 40 GFAB CCOC(=O)c1sccc1NC(=O)CSc1nc(O)c2[nH]c(C)cc2n1 57522195 ZRLJPNYTJXPAIB-UHFFFAOYSA-N 392.462 2.941 0 40 GFAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2CC(=O)NCc1cccs1 100433683 OJSOFFOTPZWNIC-HZPDHXFCSA-N 377.554 2.912 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O 44840429 BPJTYCLBXIRMSB-QGZVFWFLSA-N 393.487 2.883 0 40 GFAB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cn1 58350340 QBFHYYGNAFMWQV-KRWDZBQOSA-N 384.480 2.832 0 40 GFAB O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1nc2ncccn2n1 36618736 RLWWXKDXHZUGDV-UHFFFAOYSA-N 388.218 2.928 0 40 GFAB Cc1cccc(NC(=S)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 3339365 RNZOLMRLZHQWMN-UHFFFAOYSA-N 393.509 2.837 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)O 3394757 NFYOXOIDASVLEH-VIFPVBQESA-N 391.820 2.843 0 40 GFAB in-vitro CCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1 45812065 VSQBUBWYLUISEX-UHFFFAOYSA-N 385.445 2.528 0 40 GFAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12795543 VXHZDBZPYSZTJU-UHFFFAOYSA-N 375.903 2.513 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)c(C)c1 48363325 IXSIWCUVVQONSC-HDICACEKSA-N 389.496 2.612 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 12809799 NXOQECRLKRUERW-QHSLDKKCSA-N 391.431 2.672 0 40 GFAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3c2C1 12860906 WEQPQVOASQSQNW-ZDUSSCGKSA-N 397.500 2.870 0 40 GFAB COc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 3497777 GIKPSHCCRUFWLC-LLVKDONJSA-N 391.807 2.939 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1F 12978948 LIXGHYPEOLCJRI-GFCCVEGCSA-N 392.452 2.647 0 40 GFAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccc(OCc2ccc(Cl)cc2)cc1 12905607 LFJXQANBSOCGGC-ZDUSSCGKSA-N 375.856 2.934 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3cccc(NC(C)=O)c3C)CC2=O)c1 13023872 OOWBPBPLXMBISB-OAHLLOKOSA-N 381.432 2.954 0 40 GFAB CC[C@@H](C)[C@@H](CO)NC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 13692370 MKUALWFGRMZIIZ-YLJYHZDGSA-N 382.504 2.848 0 40 GFAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(Br)cc1 6055672 AIZFAUPUFAQHQV-OAHLLOKOSA-N 392.205 2.771 0 40 GFAB Cn1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCS(=O)(=O)C1 8939326 BBRBXSPULKPHDM-SECBINFHSA-N 375.878 2.802 0 40 GFAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC)cc1OC 4318615 ICAFUZBSFWGANG-INIZCTEOSA-N 376.434 2.527 0 40 GFAB Nc1nc(COC(=O)CCC(=O)c2ccccc2)nc(Nc2ccccc2)n1 5259920 AEDCTEIJXMYWMP-UHFFFAOYSA-N 377.404 2.904 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3s2)n(C)c1 14015172 XXCQSUFECQKXGX-UHFFFAOYSA-N 392.506 2.918 0 40 GFAB CCCc1nc2c3ccccc3n(CC(=O)Nc3ccccc3F)c(=O)n2n1 65535058 KMSAKHIIGPVLAA-UHFFFAOYSA-N 379.395 2.775 0 40 GFAB O=c1/c(=C/c2ccccc2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 4551049 OAHTXECCLDLAIY-SXGWCWSVSA-N 389.402 2.812 0 40 GFAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccn2)CC1 14283482 PJPVHOOEPYMVRK-DHZHZOJOSA-N 376.460 2.570 0 40 GFAB CCCCNC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 6938169 BTVMDQMJOJSXNF-UHFFFAOYSA-N 381.542 2.736 0 40 GFAB Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc(C(=O)O)cc2)n1C 5935065 RZLZJKOGHLCCOI-UHFFFAOYSA-N 396.472 2.897 0 40 GFAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 15329803 CNBRGLCYWAHFIO-QGZVFWFLSA-N 384.263 2.773 0 40 GFAB CCn1c(C)cc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1C 7078898 SVEUZVIWQSPJAO-UHFFFAOYSA-N 387.455 2.770 0 40 GFAB COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 9227547 ODUWYSGEFOSYOM-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COc1ccc(CCN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 15514062 HPYPRJOPSOUDHV-LDADJPATSA-N 386.517 2.856 0 40 GFAB CC(C)c1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)on1 96000214 BRQRNDCIKAQSPL-QGZVFWFLSA-N 391.493 2.522 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1=O 15842662 OKKVNOVYKPZJTA-AWEZNQCLSA-N 376.478 2.619 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8040774 ASLVMFYZUXAERJ-UHFFFAOYSA-N 384.404 2.687 0 40 GFAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8236981 XFEGXYQKVNRQPI-DAFODLJHSA-N 398.456 2.573 0 40 GFAB O=C(CSc1nnc2ccccn12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8323911 NPECIRHILPUVOA-HNNXBMFYSA-N 396.472 2.956 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 22467783 HPZANWHPNNPPDR-OAQYLSRUSA-N 382.504 2.837 0 40 GFAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(C)C2)sc1-c1ccccc1Cl 72404707 DDESKKXSYYDIAS-SECBINFHSA-N 393.852 2.667 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C(=O)O)cc(-c3cccs3)c12 73666844 RUOAFLASEVQYFF-SNVBAGLBSA-N 377.447 2.526 0 40 GFAB C[C@@H](NC(=O)c1csc(-c2cc3ccccc3o2)n1)C(=O)N1CCOCC1 95956680 YEKZUXCMTWWQFQ-GFCCVEGCSA-N 385.445 2.533 0 40 GFAB CN(Cc1ccc(F)cc1F)C(=O)CNC(=O)c1ccc(Br)o1 22895671 KMVHTHRWSNFUJO-UHFFFAOYSA-N 387.180 2.709 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 408645055 JOIVDDGWXZNXHE-KRWDZBQOSA-N 394.427 2.732 0 40 GFAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(CC3CC3)CC2)C1 306136299 PPDQUNWHMRTXSR-UHFFFAOYSA-N 399.470 2.867 0 40 GFAB CCN1C(=O)CO[C@H](C(=O)NCc2cnc3ccccc3c2)[C@H]1c1ccccc1 564424424 VBANOFLSWVNSKL-YADHBBJMSA-N 389.455 2.840 0 40 GFAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 72347533 QFUFIXARQJUWCZ-NRFANRHFSA-N 381.480 2.505 0 40 GFAB C[C@@H]1CCCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 72341144 CFECCYGMHUMAFX-FOIQADDNSA-N 393.491 2.630 0 40 GFAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861314 DTPSRMNHMJGBRW-GOSISDBHSA-N 381.453 2.913 0 40 GFAB COc1ccccc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)cc1 225162721 XKLHSGNKEPJYKM-OAHLLOKOSA-N 383.853 2.665 0 40 GFAB Cc1ccccc1-c1csc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)n1 40090684 WAWJHBSOOLUZKB-OAHLLOKOSA-N 379.507 2.871 0 40 GFAB NC(=O)c1ccc(NC(=O)c2nnn(Cc3ccccc3)c2-c2ccncc2)cc1 225584708 CSVGBOQJYIGLOL-UHFFFAOYSA-N 398.426 2.740 0 40 GFAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C)c1C 223719268 JSMTUCQIMRFJOS-RBUKOAKNSA-N 386.521 2.963 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 225633884 ATPBNHJEUMARCW-HNNXBMFYSA-N 378.469 2.773 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N(CC)Cc2ccccc2)ccc1OC 223851628 AKFJFHMHNWWJNO-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223128663 WTBSVULHMNFJOQ-VQTJNVASSA-N 399.564 2.769 0 40 GFAB Cc1ccc(N2CCC[C@]3(CCN(S(=O)(=O)Cc4ccccc4)C3)C2)nn1 96217016 PZWHCQYSUQNACI-FQEVSTJZSA-N 386.521 2.607 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3[C@@H]4CCCC[C@@H]34)ncc2C1 247975428 ZVKFOEPPHFFBAQ-LMMKCTJWSA-N 382.508 2.871 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O 248159620 FVKQFELKGIGCNI-QOIOWGMHSA-N 389.883 2.517 0 40 GFAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 244454072 ZDLYFQCPXAQGIW-UHFFFAOYSA-N 396.487 2.915 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)n1 253400577 LJSZAYGDHUIWLP-JTQLQIEISA-N 397.840 2.788 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257303237 SGHXUDUNWNHLLA-GOSISDBHSA-N 393.422 2.897 0 40 GFAB Cc1ccc(-c2csc(NC(=O)CN3CC[C@@]4(CCCO4)[C@@H](O)C3)n2)cc1 257324695 WPSXASLILUKVKS-PXNSSMCTSA-N 387.505 2.673 0 40 GFAB COc1cc(F)c(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1OC 43754535 HYEKZGZGMYSOPU-INIZCTEOSA-N 394.468 2.520 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 260841315 NHHPIORMJYSWSX-KBPBESRZSA-N 394.468 2.866 0 40 GFAB c1cncc(-c2nc3c(c(N4CCCN(C[C@H]5CCCO5)CC4)n2)CCC3)c1 676077012 JOOVPHHWWNEZLE-GOSISDBHSA-N 379.508 2.718 0 40 GFAB COc1ccc(Cn2nccc2NC(=O)c2cnc3c(C)cccn3c2=O)cc1 678619035 FSHCZRNYTJEOPK-UHFFFAOYSA-N 389.415 2.509 0 40 GFAB CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](O)C(F)(F)C2)N(C)C)cc1 664906953 QNYYNFWZNOHGLG-QZTJIDSGSA-N 383.483 2.899 0 40 GFAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1(C(=O)O)CCCCC1 72277008 XBNMHGUTEALCEL-UHFFFAOYSA-N 376.497 2.613 0 40 GFAB CCN1CCC(N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)CC1 1615118430 CFAMLTURQPUKPM-QFIPXVFZSA-N 389.515 2.898 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 5633431 ZLUIFTRDCCGQRV-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB O=C(Nc1cccc(I)c1)C1CCN(C(=O)C2CC2)CC1 13002031 WJRVVTDDYWIQAG-UHFFFAOYSA-N 398.244 2.878 0 40 GFAB CCC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc2c(c1)OCCO2 14001614 BICPPMYFGWLXEF-OAHLLOKOSA-N 381.436 2.784 0 40 GFAB C=Cn1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19554354 VPAHGOQKBANHBD-QGZVFWFLSA-N 382.512 2.745 0 40 GFAB C[C@H](NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1nccn1C 660634899 WMQPVMGCZJAPPE-KBPBESRZSA-N 377.439 2.723 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cc(N)nc3ccccc23)N2CCOCC2)cc1 19718626 UTPIOHSOAAYEPU-OAQYLSRUSA-N 390.487 2.929 0 40 GFAB COc1cccc(C(=O)N2CCN(Cc3nc(C4CC4)cs3)CC2)c1OC 23137173 BEMMIWXWUNEAJU-UHFFFAOYSA-N 387.505 2.996 0 40 GFAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 5392595 KRFUIOJMRAFZTJ-UHFFFAOYSA-N 384.910 2.857 0 40 GFAB Cc1ccn(-c2ccc(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)nn2)n1 1889147551 FQQYXTLKHDNBRP-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)O 4535693 QJJULDSUCQXEDB-OHFALNGGSA-N 378.469 2.943 0 40 GFAB COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1 9419859 LZESNMSVUCGCRU-KRWDZBQOSA-N 399.369 2.568 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1 12440035 QUFYRAXMTWZGDM-LBPRGKRZSA-N 394.456 2.604 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)N3CCCCC3)cs2)cc1 12628169 WKPWYDQRILCKIG-UHFFFAOYSA-N 381.479 2.579 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]2OCC[C@H]21 2055772621 GMCHDSJKEUAAJA-FRQCXROJSA-N 376.403 2.711 0 40 GFAB COc1ncc(NC(=O)Nc2ccc(F)c(Cl)c2)c(N2CCOCC2)n1 206731423 CZGQTXQIULJABM-UHFFFAOYSA-N 381.795 2.758 0 40 GFAB O=S(=O)(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc2c(c1)CCO2 575614920 AIGVGKPMUWUGIZ-UHFFFAOYSA-N 399.419 2.776 0 40 GFAB O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(Br)cn2)CC1 585631819 OQJIXOHNVOFZLH-UHFFFAOYSA-N 390.285 2.590 0 40 GFAB Cn1c(SCC(=O)NCc2ccc(C(=O)O)cc2)nnc1-c1ccccc1 6935752 RBHRTNMALZBKJU-UHFFFAOYSA-N 382.445 2.589 0 40 GFAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccc(Cl)cc1)C2=O 21559248 RDMYNGAXBVJNOD-ZHTDJMBKSA-N 380.872 2.718 0 40 GFAB CN(C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccccc1Cl 40086970 XINRAFIYXQAEFK-QGZVFWFLSA-N 387.867 2.580 0 40 GFAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1 40071938 FDIOUMSYIGNBFV-CQSZACIVSA-N 377.448 2.688 0 40 GFAB C[C@H](Sc1nc(NC2CC2)c2ccccc2n1)c1nc(N)nc(N(C)C)n1 31785368 NKQJQGRWOQUBHG-JTQLQIEISA-N 382.497 2.891 0 40 GFAB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20731123 WDRICCJVNAHBKO-MRXNPFEDSA-N 375.388 2.670 0 40 GFAB O=C([C@@H]1CN(C(=O)c2cc3c(s2)CCC3)c2ccccc2O1)N1CCOCC1 32788095 OGDODRAMEQJEJA-KRWDZBQOSA-N 398.484 2.503 0 40 GFAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N(C)[C@H]1CCCc2ccccc21 52415907 ATNARIBGIDVYPZ-SFHVURJKSA-N 376.478 2.742 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccccc1 32899737 SSMGVOMKIAVVKE-LJQANCHMSA-N 398.413 2.724 0 40 GFAB NC(=O)CCc1nnc(SCc2cccc(Cl)c2)n1C[C@@H]1CCCO1 32895039 NKVJSQFXCAJDLT-AWEZNQCLSA-N 380.901 2.821 0 40 GFAB Cc1nn(CC(C)C)c2sc(C(=O)NCC(C)(C)N3CCOCC3)cc12 60389006 PKHBNJALNBMFFW-UHFFFAOYSA-N 378.542 2.903 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 810128 QICXNURBQWKCFG-UHFFFAOYSA-N 390.461 2.673 0 40 GFAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1379524 AKJRKAXVMYLILB-KRWDZBQOSA-N 396.871 2.949 0 40 GFAB CCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NC2CCCC2)n1 2733160 XBXUYTZLDQMVNH-UHFFFAOYSA-N 380.399 2.728 0 40 GFAB S=C(Nc1ccccc1)N[C@H]1OCCO[C@@H]1NC(=S)Nc1ccccc1 3123021 MFZYZWHTLRFNKW-HOTGVXAUSA-N 388.518 2.659 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)c2c(OC)cccc2OC)c1 3397495 QHFMDIOQGOEMRD-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB CCOC(=O)CSc1nc2c(c(=O)n1-c1cccc(OC)c1)SCC2 4358931 HEKLTBAHIHBBMK-UHFFFAOYSA-N 378.475 2.545 0 40 GFAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O 4849429 HIVAICJTGGCFRA-UHFFFAOYSA-N 384.461 2.521 0 40 GFAB COCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 6159658 POFXCSMISPORLJ-SFHVURJKSA-N 375.469 2.614 0 40 GFAB Cc1sc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCC1 6679731 OGMCTNSBVLPMOI-UHFFFAOYSA-N 378.519 2.814 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N[C@@H](C)c3ccccc3)=C2)cc1 6800273 SFUUNGFMVNEYPD-HNNXBMFYSA-N 383.473 2.736 0 40 GFAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 8277148 BKLURDMPTKHRES-UHFFFAOYSA-N 398.484 2.785 0 40 GFAB CN1C(=O)N(CC(=O)Nc2ccccc2N2CCCC2)C(=O)C12CCCCC2 8720548 SKOVYICZWNCTHO-UHFFFAOYSA-N 384.480 2.822 0 40 GFAB CCOc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1OCC 47167307 ZYVXXOJJRHNNAT-NRFANRHFSA-N 397.431 2.791 0 40 GFAB COc1ccc(F)cc1CN1CCN(CC(=O)N2CCc3ccccc32)CC1 22804540 UUUYZOBVYSNUCC-UHFFFAOYSA-N 383.467 2.541 0 40 GFAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 104324416 UMEZKDIOKHSWNQ-OAQYLSRUSA-N 392.434 2.601 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCc2nc(-c3cccs3)no2)no1 24207675 MUOMTSOWLVUMEH-SNVBAGLBSA-N 376.394 2.598 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(C(=O)c2cccs2)CC1 24672761 BDEPUZQYVYHDTP-KRWDZBQOSA-N 387.505 2.932 0 40 GFAB O=C([C@H]1Cc2ccccc2S1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25139435 MIISWWWMLMAASP-HXUWFJFHSA-N 382.485 2.777 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1401354 LLOJNLQUVQDNHC-MRXNPFEDSA-N 384.379 2.896 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(C)c1 12521400 VUUNVVWNYJFAIX-UHFFFAOYSA-N 380.491 2.545 0 40 GFAB O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 25792916 VXPUZQVSUSSZHK-AWEZNQCLSA-N 391.786 2.595 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(C)s2)c1 3290603 WWHZDDHLRKBWLY-ZDUSSCGKSA-N 388.445 2.559 0 40 GFAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccccc1 51316648 ZNJUKCDPPFNGSR-UHFFFAOYSA-N 377.429 2.840 0 40 GFAB COc1ccc(/C=c2/sc3nc(-c4ccccc4C)nn3c2=O)cc1OC 26533869 ZKBCOUDEOIAIPD-GZTJUZNOSA-N 379.441 2.691 0 40 GFAB CCCOc1ccc(-c2csc(NC(=O)[C@H]3CCS(=O)(=O)C3)n2)cc1 12622838 CZMJQMPQOBGJNH-ZDUSSCGKSA-N 380.491 2.972 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1/C=C\c1ccccc1 102681798 VSLFZEBFPWQYRR-WGCVJFFOSA-N 386.473 2.866 0 40 GFAB CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2094531 CTDJCYDSJKIMLD-WBMJQRKESA-N 375.421 2.882 0 40 GFAB biogenic Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1Cc2ccccc2O1 58113163 NJXAZLPVYPSGPO-MRXNPFEDSA-N 389.249 2.816 0 40 GFAB CCCCCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NC2CCCC2)C1 58166174 KKDLEAUSLUPKIY-DLBZAZTESA-N 394.560 2.552 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 58137304 HVYKZJYSRBKBDL-APWZRJJASA-N 388.489 2.542 0 40 GFAB Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C)c(S(C)(=O)=O)c2)o1 58299532 OTFCWRAEEMOBMQ-UHFFFAOYSA-N 378.494 2.504 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 20489199 XEBNQZNIWSLYLY-ZDUSSCGKSA-N 392.477 2.956 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc2ccccc2c1 20972148 YMZYRHLVXIIJER-ROUUACIJSA-N 379.412 2.741 0 40 GFAB COC(=O)c1cc(NC(=O)CNc2cc(F)cc(F)c2)cc(C(=O)OC)c1 28663278 VEDCXHNRQUCYPJ-UHFFFAOYSA-N 378.331 2.589 0 40 GFAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NCc1cccs1 12789077 CWQPOLCAOMGXDQ-CQSZACIVSA-N 386.473 2.732 0 40 GFAB O=C(CN1CCC(NC(=O)[C@@H]2Cc3ccccc3S2)CC1)Nc1ccccc1 12772520 GYOFXZRFICKFHP-FQEVSTJZSA-N 395.528 2.923 0 40 GFAB Cc1cc2ncn(Cc3cc(C(=O)N(C)C[C@@H]4CCCN4C)n[nH]3)c2cc1C 11663872 HVNQFLQUGNUPRY-KRWDZBQOSA-N 380.496 2.591 0 40 GFAB Cc1ccc(-n2nnc(CC(=O)NC[C@H](c3ccsc3)N(C)C)c2C)cc1 48366156 SAIDEEPOGSAUDA-LJQANCHMSA-N 383.521 2.907 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 12828294 SWXROOXMPFNFFQ-UHFFFAOYSA-N 379.507 2.915 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 12848482 JXULZYPHHQXGQF-UHFFFAOYSA-N 389.814 2.531 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)c1 12847839 NNGGSFCGTFXKDB-UHFFFAOYSA-N 395.411 2.979 0 40 GFAB Cc1cccc(NC(=O)CCCOC(=O)c2nn(C)c(=O)c3ccccc23)c1 3442465 VGTZNVOIPOCUNW-UHFFFAOYSA-N 379.416 2.818 0 40 GFAB O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)nc1 12920999 UQDQEBCJZXDHNJ-UHFFFAOYSA-N 392.253 2.698 0 40 GFAB Cc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)cc1F 12981211 NEVOHZZCTVUKFT-UHFFFAOYSA-N 381.289 2.674 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CN[C@@H](C)c3ccc4c(c3)OCCO4)ccc21 13020113 VZSPGBIXTKMANQ-AWEZNQCLSA-N 395.459 2.656 0 40 GFAB CCOc1ccc(SCC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 8745137 DWQSRMGFDRAZOV-UHFFFAOYSA-N 387.505 2.725 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NCCC1=CCCCC1)O2 64988614 WVNUQIPQEAQLOF-IBGZPJMESA-N 392.521 2.919 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)NCc1ccc2c(c1)OCO2 13895946 VXIXHLRFWAQPGP-MRXNPFEDSA-N 382.460 2.949 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1C 408622988 OLYBQCCIEBYBBZ-CYBMUJFWSA-N 380.441 2.838 0 40 GFAB CCOc1cc(/C=C/C(=O)OCC(=O)NC[C@@H]2CCCO2)cc(Cl)c1OC 5367910 DDOQAPOCOQRWSP-UZYOAWRESA-N 397.855 2.599 0 40 GFAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)no1 4512347 MCFJQXVJNDKJIY-UHFFFAOYSA-N 399.325 2.902 0 40 GFAB COc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)cc(OC)c1OC 6611341 UTOGFOKWQUQGAD-UHFFFAOYSA-N 385.416 2.849 0 40 GFAB CCC1(COC(=O)N[C@](Oc2ccccc2)(C(=O)OC)C(F)(F)F)COC1 4785914 LJERGJXMZGEKFQ-INIZCTEOSA-N 391.342 2.650 0 40 GFAB COc1cc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc(OC)c1O 6727369 KYEKZMZNSTYOPG-INIZCTEOSA-N 375.450 2.888 0 40 GFAB CCOc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1OC 4993778 YGZLGUSATQSVHV-UHFFFAOYSA-N 385.493 2.952 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(F)cc1F 4945765 DUFQPGGPOZKZFH-UHFFFAOYSA-N 396.415 2.546 0 40 GFAB COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3nnc(C)s3)n2C)c1 4993603 BQOLILPMKUJAOR-SECBINFHSA-N 390.494 2.770 0 40 GFAB COc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CC2=O)c1 7452250 RHFCUHYLMVNKSS-MRXNPFEDSA-N 397.450 2.536 0 40 GFAB O=C(CCc1nc(-c2ncccn2)no1)N1CCC(OCc2ccccc2)CC1 67967819 CWMAOCOAXZMLAY-UHFFFAOYSA-N 393.447 2.667 0 40 GFAB Nc1nc(CN2C(=O)CC3(CCCCC3)C2=O)nc(Nc2ccc(F)cc2)n1 8325697 RNXPSLSFGYUTKQ-UHFFFAOYSA-N 384.415 2.546 0 40 GFAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)N1CCCC1 409357827 RNSNILOKAJKLNH-WJDWOHSUSA-N 390.461 2.753 0 40 GFAB O=C(NC1CCCCCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 9882677 XOPOLIQMECPLGQ-UHFFFAOYSA-N 385.555 2.923 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(OC)ccc(OC)c2n1C 72325003 XFXIMCKKJQKMGK-INIZCTEOSA-N 396.443 2.710 0 40 GFAB biogenic COC(=O)c1cc(NC(=O)COc2ccc(C)cc2)ccc1N1CCOCC1 9907752 OWXQEIPUBNTANL-UHFFFAOYSA-N 384.432 2.636 0 40 GFAB CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1c(O)cnc2ccccc12 89490137 VNRCFJQIIPITCH-UHFFFAOYSA-N 382.441 2.937 0 40 GFAB Cc1cccc(C(=O)N2CCSCC2)c1NC(=O)N[C@H]1CCCC[C@@H]1O 89688835 JQHJOQLLAWVDQQ-HOTGVXAUSA-N 377.510 2.609 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/C(=O)N(C)Cc1ccccc1 89962823 HCLKBLLMMYUIKP-VAWYXSNFSA-N 381.432 2.807 0 40 GFAB CC1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 22246220 YIGIBMRDQZLSMF-HXUWFJFHSA-N 386.517 2.835 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 408601711 GPWJJNFFDOBISP-UHFFFAOYSA-N 390.505 2.755 0 40 GFAB CC(C)c1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2C)s1 32579382 NLFZQJRUAOTLJS-UHFFFAOYSA-N 375.483 2.583 0 40 GFAB CCCN(CC1CC1)C(=O)Cc1cc(O)n2nc(C)c(-c3cccnc3)c2n1 306142085 WOXCQCCMXDNYQP-UHFFFAOYSA-N 379.464 2.996 0 40 GFAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408555993 BOZJBALOSOGSLF-ZDUSSCGKSA-N 388.917 2.666 0 40 GFAB CCN1CCC(NC(=O)c2ccc(F)cc2I)CC1 33240815 OEQDAXJEZBSJPD-UHFFFAOYSA-N 376.213 2.644 0 40 GFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218659571 LAVGVDDIQPWLTO-XYJFISCASA-N 379.865 2.624 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619222 XIHUIPCLACMRED-NSHDSACASA-N 393.426 2.772 0 40 GFAB COc1ccccc1NC(=O)Cn1c(=O)c2nnc(C(C)C)n2c2ccccc21 64871660 XOGJGYZXSMQHBJ-UHFFFAOYSA-N 391.431 2.815 0 40 GFAB COc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)c1 72363084 JPCYJIGTUWQSFW-MRXNPFEDSA-N 393.447 2.880 0 40 GFAB CC(=O)N1CCn2c(nnc2[C@@H]2CCCN2C(=O)c2oc3ccccc3c2C)C1 72372851 CUNDQCLUSHPGDI-INIZCTEOSA-N 393.447 2.672 0 40 GFAB Cn1cnc(NCC2(c3cccc(Br)c3)CCOCC2)cc1=O 563421518 YNGWUIUGXSPGRS-UHFFFAOYSA-N 378.270 2.703 0 40 GFAB CC[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC)c(C)c1 223921544 MXFBMXKPWWPBHO-KSZLIROESA-N 384.476 2.912 0 40 GFAB Cc1cc(S(=O)(=O)Nc2c(F)cccc2F)ccc1OCC(=O)N(C)C 223245431 PVNGYASFPHQZJX-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC 44884116 YREQTMIIDPNIEK-GFCCVEGCSA-N 378.450 2.566 0 40 GFAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 225743521 ICYPOJHGHJDETR-UHFFFAOYSA-N 381.519 2.693 0 40 GFAB COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225095147 VVFCWVWNTMGEHF-UHFFFAOYSA-N 381.425 2.819 0 40 GFAB COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(N)(=O)=O 223037578 AETSQNMKNCAOGF-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB COC(=O)c1ccc(OCc2noc(C(=O)N[C@H](C)c3ccccc3)n2)cc1 80358364 XXVBGWXGKLAESC-CYBMUJFWSA-N 381.388 2.926 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(Cc2ccccc2F)CC1 225270108 FFSWGERCVCODND-GOSISDBHSA-N 384.451 2.994 0 40 GFAB O=C(Cc1ccc2c(c1)OCCCO2)NCCCCCc1nnc2ccccn12 95479465 PRGJKDXJTHGARU-UHFFFAOYSA-N 394.475 2.962 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143031 PIHDPBVYAPMGCN-QFIPXVFZSA-N 396.512 2.771 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1nc(-c2cccs2)no1 95470741 RIDGSWICIQCFBH-UHFFFAOYSA-N 383.426 2.767 0 40 GFAB CNC(=O)c1cccnc1N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 585083509 YTCCGKYHCRCIIC-HNNXBMFYSA-N 381.354 2.918 0 40 GFAB NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1 257266492 MDFUFAFYDMGPLM-QHCPKHFHSA-N 392.547 2.849 0 40 GFAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc(O[C@H](C)C(=O)O)c(F)c2)CC1 630258668 QYUPJGCTNVKINO-GFCCVEGCSA-N 380.416 2.511 0 40 GFAB CC(C)(C)n1nnc(CC(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)n1 622862033 RKSUIUMQROEEHL-KRWDZBQOSA-N 381.402 2.833 0 40 GFAB CC(C)n1nccc1[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 637636848 HCVPNIBDNQRANB-MISYRCLQSA-N 396.491 2.715 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@@H](N(CC(=O)O)C(=O)OCc2ccccc2)C1 642881987 PFAZRPVAXDIMFG-OAHLLOKOSA-N 378.425 2.719 0 40 GFAB C[C@@](NCc1cccc2c1CCNC2)(C(N)=O)c1cccc(C(F)(F)F)c1 662281048 HZHKPXBLJZISIG-IBGZPJMESA-N 377.410 2.841 0 40 GFAB O=C(CCc1ccc(F)c(Cl)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122083 KTOXBUOLPSUSSR-UHFFFAOYSA-N 385.844 2.831 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N1CCC(S(=O)(=O)CC(C)C)CC1 96374616 LTHSBEORUYTOMH-UHFFFAOYSA-N 395.550 2.918 0 40 GFAB Cn1cccc(C(=O)N2CCC(COc3cccc(C(F)(F)F)n3)CC2)c1=O 585531496 BQDUHQLKCWASJA-UHFFFAOYSA-N 395.381 2.730 0 40 GFAB CN(C)C/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 585292555 OLSSMGBXBAFKIW-RCMYXZNBSA-N 380.496 2.514 0 40 GFAB CS(=O)(=O)N1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 64487119 VVCOKVKHMOLTEO-UHFFFAOYSA-N 398.528 2.684 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)nn1C1CCCCC1 578609334 DMIOHLNIAAMVCF-RDJZCZTQSA-N 386.500 3.472 0 40 GFAB Cc1cccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCC3)c1 12129764 JXJSVMMSIGHBQE-UHFFFAOYSA-N 389.459 2.811 0 40 GFAB c1cncc(-c2nc(NC[C@@H]3COCCO3)ncc2-c2ccc3c(c2)OCO3)c1 12186460 IFDBRURNOOGCHQ-MRXNPFEDSA-N 392.415 2.762 0 40 GFAB COc1ccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1CO 12328607 JUDTZMMMPUECGZ-UHFFFAOYSA-N 386.467 2.954 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)c1 14068326 JAXUUYCVAPUJRG-LBPRGKRZSA-N 387.465 2.878 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 14153914 JOZJPVHRIOVDET-INIZCTEOSA-N 390.505 2.783 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccn(Cc3ccccc3F)n2)c1 14230031 DWQCPGZOGLGACS-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB NC(=O)c1ccc(-c2ccc(C3CCN(CC(=O)N4CCCC4)CC3)nc2)cc1 19689036 VQEKRPUVZNWFLA-UHFFFAOYSA-N 392.503 2.649 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nc2c1CCC(=O)N2C 19696312 DUCGQQWRHVXVNZ-OAHLLOKOSA-N 382.439 2.853 0 40 GFAB Cc1nc(C)n(CC(=O)N2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)N3C)n1 19712955 VMIPFVSUVWMBKJ-VSKRKVRLSA-N 395.551 2.982 0 40 GFAB COc1cccc(OC)c1C(=O)OCC(=O)c1ccc(CCCNC(C)=O)cc1 6086627 HIKBZFQKTYCQER-UHFFFAOYSA-N 399.443 2.812 0 40 GFAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2F)CC1 1888921869 KMTQXNCNXUFTSN-UHFFFAOYSA-N 387.480 2.871 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889205692 HLDNQRHHFHAXAW-UHFFFAOYSA-N 392.463 2.573 0 40 GFAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3)C2)nc1 238832673 GHEJNYADEYCVDE-CQSZACIVSA-N 397.294 2.995 0 40 GFAB CC(=O)N1CCC2(CC1)C[C@@H](Cc1nccc(Nc3ncc(C)s3)n1)CO2 2037834925 IIZQCKCJYVAQDO-OAHLLOKOSA-N 387.509 2.945 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037988828 KJJJFSSLFOTMDJ-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 1565552764 WQPAVUMYYOQRNG-UHFFFAOYSA-N 379.451 2.568 0 40 GFAB Cn1nccc1C(=O)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O 1565541646 KINCZBFVDJCFGV-UHFFFAOYSA-N 392.503 2.637 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 4326117 YBMGSWWFUNPEBH-UHFFFAOYSA-N 395.390 2.827 0 40 GFAB Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1=O 5625766 INSQTGOSGXPEKX-UHFFFAOYSA-N 378.763 2.876 0 40 GFAB O=C1C[C@H](n2nc(-c3ccccc3Br)oc2=S)[C@H]2CO[C@@H]1O2 6658511 PWQGUYBBFKDPCJ-UFGOTCBOSA-N 383.223 2.890 0 40 GFAB biogenic,in-vitro COC(=O)c1ccc2c(=O)n(CC(=O)c3c(C)n(C)c4ccccc34)cnc2c1 9422128 OWRMVHXVRLIBLT-UHFFFAOYSA-N 389.411 2.866 0 40 GFAB CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCCO3)nn1 13702093 LHAQTVKHEOHMPT-UHFFFAOYSA-N 388.449 2.573 0 40 GFAB COc1ccccc1CCNC(=O)Cn1cnc(-c2ccc(C)cc2)cc1=O 13806914 HTZLJMNOGIUMQC-UHFFFAOYSA-N 377.444 2.586 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2C(=O)OC[C@]2(O)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2O 2048392607 WQPFOWNSHXWLAY-NFWXSOHESA-N 380.481 2.510 0 40 GFAB biogenic COc1ccnc(N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)n1 1775974199 XXBBZMHOEYTSRI-UHFFFAOYSA-N 395.438 2.765 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cc2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)CC1 35592857 OBYFIXISTBSZRA-CQSZACIVSA-N 399.447 2.508 0 40 GFAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 101493373 KWXCJGCGCXLKTH-UHFFFAOYSA-N 399.760 2.970 0 40 GFAB COC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 20102847 JTOKVZZMJJMENU-UHFFFAOYSA-N 378.900 2.964 0 40 GFAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 101261762 PXCIIUWMNFDGHA-AGKHESDQSA-N 378.450 2.907 0 40 GFAB O=C(Cn1cnc2ccsc2c1=O)N1CCS[C@H]1c1ccccc1F 32850510 OLQNCMGTUSPWMH-KRWDZBQOSA-N 375.450 2.871 0 40 GFAB CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)n([C@@H]2CCS(=O)(=O)C2)n1 102787289 UPQYVYVTWHFSTB-XQLPTFJDSA-N 377.510 2.691 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccccc1 3479932 KJSARGRMGFIGLO-INIZCTEOSA-N 388.489 2.507 0 40 GFAB COCCNC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 4967003 LNNFDGGPCYSRFQ-UHFFFAOYSA-N 380.514 2.592 0 40 GFAB COc1ccccc1[C@H]1c2c(-c3cccs3)nnc(O)c2Nc2nnnn21 10297636 JVJQMGPUOBIVOK-HNNXBMFYSA-N 379.405 2.601 0 40 GFAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(Cl)cc3)c(=O)n2n1 632599 ZLRHIXLTPZWQQZ-YBEGLDIGSA-N 397.843 2.944 0 40 GFAB CCN(CC)[C@H](CNC(=O)CN1CCCCCC1=O)c1cccc(OC)c1 42002060 WTUPKHZXUWRTGJ-LJQANCHMSA-N 375.513 2.597 0 40 GFAB O=C([C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccc(Cl)c1)N1CCCCCC1 12207379 SPJQTZYRRDIOIV-MSOLQXFVSA-N 388.903 2.545 0 40 GFAB COc1ccc(O[C@H](C)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 23222413 HUPMDKPTUDVMRB-GFCCVEGCSA-N 388.807 2.867 0 40 GFAB O=C(NCc1csc(-c2ccccc2)n1)[C@@H](Cc1ccccc1)n1cnnn1 25583410 CWVHEMPWZWQUGG-GOSISDBHSA-N 390.472 2.897 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)C2)n1 54660846 FBPDBCSJXKZWFH-AWEZNQCLSA-N 376.844 2.558 0 40 GFAB Cc1cccc2nc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCOc4ccccc43)cn12 24315774 LCHOIPZHUUVAKL-GDBMZVCRSA-N 379.416 2.828 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N3CCCN=C3S2)cc1 2728891 UEIVHNHCDRVWAF-OAHLLOKOSA-N 389.477 2.676 0 40 GFAB O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 55408517 ACMOGKXGKBBCOW-ZWKOTPCHSA-N 396.940 2.877 0 40 GFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CS(=O)(=O)c1nccn1-c1ccccc1 106927878 YXMXQLXLHZNEOM-HLLBOEOZSA-N 375.494 2.587 0 40 GFAB Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1 35349309 UEOPCXPDEJNEPA-NRFANRHFSA-N 377.488 2.887 0 40 GFAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCO3)ccc1OC(F)F 57807310 FXOGZOBONCMBEQ-UHFFFAOYSA-N 385.388 2.710 0 40 GFAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](C(F)(F)F)C1 58044744 GPPPKTDQTXGWDG-DZGCQCFKSA-N 385.365 2.705 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc(Br)cc2)cc1 3247182 JZSZBEHTDYJGLL-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB COc1ccc(NC(C)=O)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 10186095 SXOJWRSKFQKZRA-ZDUSSCGKSA-N 396.447 2.829 0 40 GFAB CC(C)c1cccc(OCC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 58247328 XLBPBPFMSFOXOY-UHFFFAOYSA-N 382.460 2.879 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1ccccc1Br 22524342 XYDUSWVSGTXWQZ-UHFFFAOYSA-N 397.246 2.892 0 40 GFAB COc1cc(OC)c([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2121625 UCESPARULGXJHG-YWZLYKJASA-N 382.416 2.882 0 40 GFAB biogenic,in-vitro COC(=O)c1sc(Cl)cc1S(=O)(=O)NCCc1ccc(OC)cc1 44921363 AVOMAFATSXWXKY-UHFFFAOYSA-N 389.882 2.718 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2C(=O)OC)cc1 44901140 IDANGJVEQFZJGW-UHFFFAOYSA-N 389.838 2.776 0 40 GFAB COc1ccccc1N[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 23416021 IRJYFXAAUDHKAY-SNVBAGLBSA-N 381.354 2.668 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1OC 20458194 SQMZUFONNDTDQQ-UHFFFAOYSA-N 387.461 2.676 0 40 GFAB C[C@H](Nc1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 28358916 FJRGMMCXRJXDGO-INIZCTEOSA-N 396.491 2.980 0 40 GFAB Cc1c(N[C@H](C(=O)NC2CC2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 48290745 ZKYNMVKRVDMTHQ-FQEVSTJZSA-N 376.460 2.916 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCO[C@H](C)C4)c(=O)c23)cc1C 11539067 QCTCAXFRPJOWDU-OAHLLOKOSA-N 397.500 2.989 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)cc1NC(C)=O 12770176 YIJOHFVUBDKRRI-UHFFFAOYSA-N 384.404 2.753 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2nc3ccccc3s2)CC1 12935320 KHMHLWKSCCMCSI-UHFFFAOYSA-N 391.493 2.942 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12902113 MPOUISHGXMNMBV-HNNXBMFYSA-N 398.459 2.852 0 40 GFAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12999447 OGEBLGXGZQLMRL-UHFFFAOYSA-N 399.520 2.804 0 40 GFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 13005015 DKRITOMPKXIVPF-OAHLLOKOSA-N 375.446 2.626 0 40 GFAB Cc1cc(C)cc(OCCSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)c1 13013359 SNFAKKYHTDGAEJ-AWEZNQCLSA-N 381.523 2.505 0 40 GFAB O=C(COc1ccc(Cl)cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 5025636 JMKYIBVUTVEGNV-CQSZACIVSA-N 399.921 2.996 0 40 GFAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N1CCC(O)CC1 13719930 GEQGWZCZAVCIIG-UHFFFAOYSA-N 395.411 2.528 0 40 GFAB biogenic CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OC 8869662 CFVHIKPOVCOHCL-LJQANCHMSA-N 395.411 2.738 0 40 GFAB O=C(CSc1nnc([C@@H]2CCCN2)o1)Nc1ccc(Br)cc1 5160495 QXKVJNDRWJHCEV-NSHDSACASA-N 383.271 2.987 0 40 GFAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 113871396 SKORVDGWULDWRP-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB COCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 14169521 XIAMCNSHBCZCOW-UHFFFAOYSA-N 381.432 2.933 0 40 GFAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 4555462 XJGAVKNMZSFJPU-ZBFHGGJFSA-N 397.427 2.871 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)C1 4687686 BUTDEHXNUXFIPB-IRXDYDNUSA-N 375.488 2.759 0 40 GFAB O=C1N=C(O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(F)cc1 8974685 POEHVJKKULFRRA-UTKZUKDTSA-N 395.390 2.697 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(N)nc(C3CCC3)n2)c1C 6604087 CNOZNLGIKSYCRR-JTQLQIEISA-N 389.481 2.816 0 40 GFAB CNC(=O)c1ccc(NC(=O)COC(=O)CSCc2ccc(F)cc2)cc1 19317215 PUUXCPNCJWSYPO-UHFFFAOYSA-N 390.436 2.600 0 40 GFAB CCCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 9420106 SNBBCGSUAMNWKO-INIZCTEOSA-N 390.871 2.591 0 40 GFAB COc1ccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1OC 96001038 WSBDRECALJLTJQ-INIZCTEOSA-N 395.415 2.968 0 40 GFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)NCc1ccco1 7990800 WXDVXGCVEPOFQS-KRWDZBQOSA-N 399.447 2.604 0 40 GFAB Cc1nc(C)c([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1 70040639 KZADVTXIPCOGFW-MRVPVSSYSA-N 383.376 2.897 0 40 GFAB CCN1C(=O)S[C@@H](N(CCN2C(=O)CSC2=O)c2cccc(C)c2)C1=O 9338832 NYBTYSVHZAOASC-OAHLLOKOSA-N 393.490 2.538 0 40 GFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc2ccccc2n1 23892863 YUNZJUOPJACWTP-UHFFFAOYSA-N 390.443 2.825 0 40 GFAB COc1cccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1O[C@H](C)C(=O)O 409246578 IXSFKBOWJZHPNE-YYTPVVGHSA-N 396.399 2.640 0 40 GFAB O=C(Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1)c1cccc(Cl)c1 71001547 AFKGKQXIDOGIJV-UHFFFAOYSA-N 396.838 2.804 0 40 GFAB COc1ccccc1[C@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)N(C)C 32924423 QQJVWMQXDSMQGB-SFHVURJKSA-N 383.448 2.685 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 16042525 QRDQSTNEKCZZRI-ADLMAVQZSA-N 375.421 2.658 0 40 GFAB biogenic O=C1CCCN1c1ccc(Cn2nc3ccc(-c4ccccc4)nn3c2=O)cc1 49399350 NSVUGQQZYDUEEF-UHFFFAOYSA-N 385.427 2.733 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCc2ccc(OC)cc2)ccc1C 223883473 FPHZYOTWVGSJQM-UHFFFAOYSA-N 377.462 2.701 0 40 GFAB COc1cccc2ccn(CCC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c12 225425825 KZHWIBBWFKDEHM-SJLPKXTDSA-N 391.471 2.848 0 40 GFAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224827802 GYUHXVATWSNYCN-UHFFFAOYSA-N 379.434 2.690 0 40 GFAB CCN(C(=O)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1)c1cccc(C)c1 96395488 SXHHEBCFJKBZOF-KRWDZBQOSA-N 391.479 2.635 0 40 GFAB CCN1C[C@H]2C3(CCN(C(=O)c4ccccc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143875 MJJPSTCUHHEZMC-WMZHIEFXSA-N 383.536 2.729 0 40 GFAB Cc1nc(NCc2ccco2)nc2c1COC[C@]21CCN(C(=O)NCC(C)C)C1 96244640 LJRQXJFWERTPFC-OAQYLSRUSA-N 399.495 2.829 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96085114 FIGTWOUAYATXMT-UHFFFAOYSA-N 399.472 2.845 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242688612 VUUITNNDAYGDSQ-JZXOWHBKSA-N 379.865 2.540 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3CC[C@@]3(Nc3ccc(C(F)(F)F)cn3)C2)n(C)n1 1614423134 FEHVGVLRQDDSAW-CXAGYDPISA-N 379.386 2.859 0 40 GFAB Cc1ccnc(NC[C@H]2CCN([C@@H](C)C(=O)NC(=O)Nc3ccccc3F)C2)c1 609144773 GPICXIDXRDZVEG-JKSUJKDBSA-N 399.470 3.000 0 40 GFAB CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)COc1ccccc1 585262552 RRRFYJGXOQJPCX-HXUWFJFHSA-N 398.503 2.560 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O 823024298 VACBCCKSXYLIGU-UHFFFAOYSA-N 380.379 2.811 0 40 GFAB O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCCC[C@@H]1C1OCCO1 60348870 PHXYSYZURPKTRA-GFCCVEGCSA-N 397.827 2.858 0 40 GFAB C[S@](=O)Cc1c(C(=O)NCCCCN2CCOCC2)sc2ccccc12 89493122 ZDMWQJZFBKUVFP-AREMUKBSSA-N 394.562 2.622 0 40 GFAB CCn1cc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)n1 1615121076 MTFIDFWDQYKMNQ-OAQYLSRUSA-N 386.471 2.749 0 40 GFAB Cn1c(C(=O)N2CC[C@@H](NC(=O)c3onc4c3CCCC4)C2)cc2ccccc21 1615613185 QXJRCYITBPRKRD-OAHLLOKOSA-N 392.459 2.690 0 40 GFAB O=C(O)COc1cccc(C(=O)N2CCC(c3ncc(Cl)cn3)CC2)c1 1616044038 GBGLJHPJBYKHHH-UHFFFAOYSA-N 375.812 2.613 0 40 GFAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 1013014 IKOOASPYBRNZJR-CXUHLZMHSA-N 386.404 2.926 0 40 GFAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 5624905 YRCTXZHFVBKWLT-OAHLLOKOSA-N 394.479 2.727 0 40 GFAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1C 11204281 OPUPNCUYEZIFKB-HNNXBMFYSA-N 387.421 2.665 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2c(C)nn(C)c2Cl)c1C 11979835 OIUZVOFIHCYKLK-VOTSOKGWSA-N 377.828 2.969 0 40 GFAB Cc1nn(CC(=O)NCCc2ccc(F)cc2)c(=O)c2cc3sccc3n12 12115252 VFMMOKKJWIHMHI-UHFFFAOYSA-N 384.436 2.517 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)CN3CC[C@@H]4CCCC[C@@H]4C3)ccc21 12326817 DKQDALSLAVGQMU-MAUKXSAKSA-N 376.522 2.704 0 40 GFAB COc1ccc(CC(=O)NCc2cc(N(C)C)nc(-c3cccnc3)n2)cc1F 19584511 CPZAGTHEWICETF-UHFFFAOYSA-N 395.438 2.611 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 19824001 BWMNZTZFMODKPG-UHFFFAOYSA-N 381.476 2.788 0 40 GFAB COCC(=O)N1CCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643564196 VOPYTTTWPHJQCF-KRWDZBQOSA-N 376.497 2.821 0 40 GFAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1cnccn1)c1ccccc1O2 12275029 NYVAKPFNRGVZCI-IERDGZPVSA-N 380.448 2.501 0 40 GFAB COCC(=O)N1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2cccc(F)c2)C1 19589585 UYYYPADBPRAWQI-SFHVURJKSA-N 384.451 2.598 0 40 GFAB CSc1nc(C(F)F)cc(N2CCN(c3nccn4nc(C)cc34)CC2)n1 1888896961 LTGQPGHQZREBJH-UHFFFAOYSA-N 391.451 2.814 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 244975018 HXZJBPSYYWLLEY-DOMZBBRYSA-N 383.429 2.954 0 40 GFAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1 5075766 NKMDXSBFUOPTLD-UHFFFAOYSA-N 386.882 2.681 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 5191420 LUDNONVXLRQFRS-MRXNPFEDSA-N 382.420 2.581 0 40 GFAB O=C(Cc1ccccc1F)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 13536504 LHMHMFZSZJQYFS-UHFFFAOYSA-N 377.423 2.569 0 40 GFAB CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2cc(C)on2)c1 40066750 NUSBGTMXHVHFSY-LLVKDONJSA-N 386.437 2.641 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(F)cc1F 40051096 GPEKAOXROXORJW-HNNXBMFYSA-N 380.347 2.738 0 40 GFAB CNS(=O)(=O)c1cc(-c2ccc(N(C)Cc3ccccc3)nn2)ccc1C 20718092 WMOHOJIWRVVYGQ-UHFFFAOYSA-N 382.489 2.997 0 40 GFAB CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)s1 21006449 OIQXANQYTIXQBA-UHFFFAOYSA-N 394.474 2.693 0 40 GFAB CNC(=O)c1ccc(CNC(=O)NCCc2ccc(Br)s2)cc1 32795353 QKUUXYNOKZDFLG-UHFFFAOYSA-N 396.310 2.912 0 40 GFAB NS(=O)(=O)Nc1cccc(NC(=O)CCCc2nc3ccccc3s2)c1 32754173 MGQMADNSXUPZMS-UHFFFAOYSA-N 390.490 2.873 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C(=O)N2CCOCC2)c1C 32883585 IYVALJWRLVMNCS-UHFFFAOYSA-N 384.432 2.568 0 40 GFAB COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCCC3)c(=O)[nH]c2c1 782671 ZAWKHNDPQSAGDT-SFHVURJKSA-N 396.495 2.854 0 40 GFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(=O)[nH]c(S)nc2c1 32912194 IKXKHVXVGVUTQD-UHFFFAOYSA-N 377.328 2.786 0 40 GFAB CCOC(=O)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 6594922 JKTJXZLLSLCXPD-UHFFFAOYSA-N 380.388 2.605 0 40 GFAB COc1cc(C(N)=O)cc(I)c1OCc1ccccc1 622374 VDPBKRQRVKTMNJ-UHFFFAOYSA-N 383.185 2.978 0 40 GFAB O=C(Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1)c1cccnc1 796546 ZCXQMZCXRBMFFE-UHFFFAOYSA-N 379.397 2.862 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 8745813 VJQQNUQLVSFZON-UHFFFAOYSA-N 384.841 2.539 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cc(=O)n4c(C)csc4n3)C2)n1 47261111 WGSCQLWCIVDFBS-OAHLLOKOSA-N 397.504 2.619 0 40 GFAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 55546739 QQTDMUTYFKWTCY-UHFFFAOYSA-N 397.294 2.929 0 40 GFAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3cc(F)ccc3N1[C@H]2C(=O)c1ccccc1Cl 101471559 NVPOKVXVPBYCIS-BRSBDYLESA-N 396.805 2.835 0 40 GFAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Br)cc1 58167492 IKPVQAFFIYHPPI-MRXNPFEDSA-N 390.233 2.959 0 40 GFAB CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C(N)=O)c3ccccc3)c2)n1 97117610 ZBALMDXGIIJEEV-QGZVFWFLSA-N 379.420 2.956 0 40 GFAB COc1cc(NC(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc(OC)c1 100463867 MBJPKWOIKGJZAD-QZTJIDSGSA-N 397.475 2.552 0 40 GFAB Cn1cccc1C(=O)NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 35399811 UTFACFVYCNNVAG-HXUWFJFHSA-N 379.485 2.991 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O 57427351 ZKTSEBGBXCRMQV-MRXNPFEDSA-N 397.500 2.829 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc4ncccc34)C2=O)cc1 27080496 HAGUVHVZZXEQLP-QFIPXVFZSA-N 388.427 2.949 0 40 GFAB COc1ccc(-c2csc3nc(CC(=O)N4CCCC4)[nH]c(=O)c23)cc1OC 3293554 COXGLBXESNZBGK-UHFFFAOYSA-N 399.472 2.834 0 40 GFAB c1cncc([C@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)c1 20638692 GYQHJGPCUUPWCW-IBGZPJMESA-N 385.431 2.768 0 40 GFAB CONC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 12630605 NWIUWLFZYJGTHW-UHFFFAOYSA-N 399.266 2.850 0 40 GFAB Cn1c(CN2CCC(C(=O)Nc3nncs3)CC2)nc2cc(Cl)ccc21 58130547 IGNICGHADPODIA-UHFFFAOYSA-N 390.900 2.929 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCc3ccccc32)c1=O 44840687 DNTWLCKRXIDQNQ-HNNXBMFYSA-N 377.444 2.724 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10227792 PBNYQARRNOULMV-IFXJQAMLSA-N 380.444 2.785 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1Cl 2195856 KTHJRFWNHWYCKS-UHFFFAOYSA-N 390.856 2.665 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 10760956 NYSBDICVWOZGIQ-UHFFFAOYSA-N 386.473 2.677 0 40 GFAB O=C(NCCc1ccccc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 12787528 WCJYOEZFTWAOQK-MRXNPFEDSA-N 375.515 2.938 0 40 GFAB COc1ccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)c(OC)c1 2438822 MPNKHTVVYBIDFR-CXUHLZMHSA-N 383.404 2.522 0 40 GFAB CCCCC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2OC)n1N 18410475 KTQZBRGWGILLMT-CYBMUJFWSA-N 377.514 2.845 0 40 GFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4cccnc4)CC3)c2c1 20744455 UBKWLRZOJPNDLN-HXUWFJFHSA-N 380.448 2.515 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc2c(c1)CCO2 12903158 OBYNISAUBYKSMN-UHFFFAOYSA-N 385.217 2.977 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1F)(Nc1ncccc1C)C(F)(F)F 6090728 TXJHDLWULGTOEY-MRXNPFEDSA-N 385.317 2.803 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCC(c2ccccc2)=N1 9050045 WRXCRGRDGYWCBE-UHFFFAOYSA-N 382.464 2.658 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1nc2c(s1)CCC2)c1cccc(Cl)c1 39995698 JSINMPOVATVKTI-UHFFFAOYSA-N 385.898 2.690 0 40 GFAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSC[C@H](O)c3ccccc3)n21 65489787 NEXZRNMDMGDLKI-KRWDZBQOSA-N 380.473 2.856 0 40 GFAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 5557759 UABOKWHODJAIIJ-UHFFFAOYSA-N 390.461 2.996 0 40 GFAB O=C(OC1CCCCC1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654501 HXGZDGLTKDXNIR-AWEZNQCLSA-N 376.478 2.723 0 40 GFAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H](O)c3ccccc3)ccc12 6659973 QGRAJWVZANAWOA-LIRRHRJNSA-N 381.428 2.973 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1nn(C)c(=O)c3ccccc13)O[C@@H](C)C2 6789821 VFKGOCDAULJRLG-ZDUSSCGKSA-N 393.443 2.586 0 40 GFAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 5867624 JWPPKNCSEBOBHY-GFCCVEGCSA-N 381.461 2.998 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)C1(c2ccccc2)CC1 6944526 RQXPOOOVFWHVQB-UHFFFAOYSA-N 394.471 2.921 0 40 GFAB Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1ccc2c(c1)OCCO2 71405510 JZAFEWIVUTUGRE-UHFFFAOYSA-N 389.411 2.608 0 40 GFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3)c2C)cc1 67323517 AHZZYFXQTYYFDV-UHFFFAOYSA-N 379.420 2.795 0 40 GFAB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H](C(=O)c3ccccc3)N2C=C1 16037182 LVWKLDZQKHREEU-PLACYPQZSA-N 395.418 2.705 0 40 GFAB C[C@H](C(=O)N1CCCc2ccccc21)n1c(S(C)(=O)=O)nc2ccccc21 7735692 LTPPSQRHKBZYQR-CQSZACIVSA-N 383.473 2.980 0 40 GFAB Cn1c(SCC(=O)NC2C3CC4CC(C3)CC2C4)nnc1-c1cccnc1 7718686 SNDWFJOWCPSOIL-UHFFFAOYSA-N 383.521 2.910 0 40 GFAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc2c1 8429287 QSRYELKRIDLOIA-UHFFFAOYSA-N 395.459 2.671 0 40 GFAB CC(C)NC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318588 WOSDWFYHKZAMKO-UHFFFAOYSA-N 389.415 2.638 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 9905153 WZGBRFWYMFQXJU-UHFFFAOYSA-N 395.459 2.778 0 40 GFAB CSc1ccc(CNC(=O)c2snc(C(=O)NCC3CC3)c2N)cc1 67335026 ZXKLEQOOUGOAEK-UHFFFAOYSA-N 376.507 2.517 0 40 GFAB CCN(CC)C(=O)CN(C)Cc1nnc(-c2ccccc2Br)o1 32759476 RFKGEPDZPZFGBI-UHFFFAOYSA-N 381.274 2.799 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccccn3)C[C@@H]21 306123934 BAYCPEKGZUAETR-CTNGQTDRSA-N 377.469 2.899 0 40 GFAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@H](CN2CCOCC2)C1 69744908 GLUQACHRVYXCIR-MRXNPFEDSA-N 388.899 2.710 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccccc2F)c2nccn2C)s1 32842334 NKUFAJBVCHZQOQ-KRWDZBQOSA-N 386.452 2.565 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1C 408603504 KMSDLBYWYAPLRS-UHFFFAOYSA-N 389.477 2.894 0 40 GFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 409071314 GPQIMXRTPXUWEW-PKTIUJEHSA-N 386.223 2.753 0 40 GFAB Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)c1 36633959 KDKUHACSARWWML-HXUWFJFHSA-N 381.451 2.897 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc(Br)cc2)cc1OC 72227057 GKKFWSBKQFYQAP-IRXDYDNUSA-N 391.265 2.877 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccccc2)cc1 39986095 RUMOURLBELBBAS-INIZCTEOSA-N 390.505 2.973 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@]3(O)CCCc4occc43)cc2)co1 1565523647 SUAGBCNIRQLKDV-LJQANCHMSA-N 388.445 2.745 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2cccc(C(=O)OC)c2)cc1OCC 223856318 OYLHENKKOSLIQH-UHFFFAOYSA-N 393.461 2.749 0 40 GFAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 226401115 FMKSDXUBMCDTLT-YTQIUSBHSA-N 390.361 2.593 0 40 GFAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-n1cnnc1 222598621 XCFVANWDXMEBMA-KKXDTOCCSA-N 379.493 2.992 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c(C)c1 223621267 GSZMXJAECWAKNA-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 48339958 QQRMRAOYCBSXRC-MBOZVWFJSA-N 383.536 2.792 0 40 GFAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220501492 CXIHPLKULLJKQI-LJQANCHMSA-N 390.505 2.865 0 40 GFAB O=C(Nc1ccccc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 77196664 FMXFXBBEYYTFAE-UHFFFAOYSA-N 375.436 2.842 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1cccc(F)c1 96077428 FVRHMWQXACMKSI-KRWDZBQOSA-N 380.466 2.705 0 40 GFAB CN(C)CCNC(=O)[C@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1 96146742 VXWSGPRJGDNTNH-OAHLLOKOSA-N 376.551 2.691 0 40 GFAB Cc1ncc(C(=O)N2CC[C@@H](Cc3cncc(-c4c(C)noc4C)n3)C2)cn1 257298806 RNJBVNTWFGIPHM-HNNXBMFYSA-N 378.436 2.552 0 40 GFAB CCOC(=O)N1CCN(c2ncncc2-c2nc(-c3ccccc3F)no2)CC1 252492536 MOOCKONVFODCPD-UHFFFAOYSA-N 398.398 2.611 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cnccn3)C2)ncn1 257242684 IDRZPCNLNDTQQU-HNNXBMFYSA-N 378.436 2.633 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 260761995 FTNNHBDFVIRUMS-KDOFPFPSSA-N 376.478 2.505 0 40 GFAB O=C([C@@H]1CCNCC1(F)F)N1CCC(c2nc(-c3ccccc3)no2)CC1 644007831 WNULOGYWXBRFLG-HNNXBMFYSA-N 376.407 2.687 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1cccc(C)n1 575404206 LZLUSJNHYHCBQM-GOSISDBHSA-N 396.553 2.908 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414978 VOIGNAIGLINKPN-ZWKOTPCHSA-N 391.514 2.750 0 40 GFAB C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 69207915 PJJKHFJPTSLZAU-HOTGVXAUSA-N 380.483 2.822 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(C(=O)OC)cc1 796091 WFKUDNISDGQPIO-MRXNPFEDSA-N 388.445 2.687 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)c1nc(-c2ccncc2)n[nH]1 12114832 KDRIXLDMGRFJDU-NSHDSACASA-N 377.857 2.868 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(C)cc1 13056840 MSQKPNCFZNDZHO-UHFFFAOYSA-N 383.448 2.681 0 40 GFAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)N2N1 14607173 VOKIQJBZINYYMT-QGZVFWFLSA-N 391.431 2.734 0 40 GFAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 16455463 SWBSBYJPQDMVSZ-OAQYLSRUSA-N 397.406 2.824 0 40 GFAB CN(C[C@@H]1OCCc2ccccc21)C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 19586003 LBNXCQXSJNMZEE-UZLBHIALSA-N 382.435 2.951 0 40 GFAB Cc1nc(CN(C)C(=O)c2cccnc2)nc2c1CCC(=O)N2CCC(C)C 19703567 OACXRDJEHRJFBY-UHFFFAOYSA-N 381.480 2.778 0 40 GFAB CNc1nc([C@H]2CCCN(C(=O)CC3CCCC3)C2)nc2c1CN(C(C)=O)CC2 19710599 PACKFHFXNCHFTK-KRWDZBQOSA-N 399.539 2.709 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCCc2c(C)nn(C)c2C)cc1C(C)C 19715527 KEZRQEKIEQIRTP-UHFFFAOYSA-N 379.526 2.998 0 40 GFAB CN1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)CC1 6287905 KSRNVMRWOPUAQC-KPKJPENVSA-N 380.517 2.965 0 40 GFAB CN1CCCC[C@@H](CNC(=O)NCc2cc(Cl)ccc2N2CCOCC2)C1 623990955 UMTCNCWTBNIKBE-INIZCTEOSA-N 394.947 2.708 0 40 GFAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)n1 12669256 OSNNTNAQZIFSSV-ZDUSSCGKSA-N 395.467 2.697 0 40 GFAB CC(C)CN(C(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13005650 VGUDNXSEBYNDSS-UHFFFAOYSA-N 398.488 2.531 0 40 GFAB CN(C)c1ccc(NC(=O)C(=O)NCCc2ccc(-c3cnn(C)c3)s2)cc1 1889223281 WFHFTISTBUZFLN-UHFFFAOYSA-N 397.504 2.512 0 40 GFAB COc1ccc([C@H](CNC(=O)CN2CCSC2=O)N2CCCCC2)cc1 27668205 BVSSNCWXXGGLDL-KRWDZBQOSA-N 377.510 2.507 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2CN)C1 953075626 GUIGOAQUCMVWJX-LAUBAEHRSA-N 389.496 2.841 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1 41577129 UXRBLURDLHFZSS-KRWDZBQOSA-N 383.492 2.849 0 40 GFAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)c4nccn4C)CCO3)n2)s1 2037835870 DXZCRQHXXUNEBT-AWEZNQCLSA-N 384.465 2.537 0 40 GFAB CSc1nc(C)cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)n1 2086992548 DFFZXWZDNJFWOZ-UHFFFAOYSA-N 379.493 2.686 0 40 GFAB Cc1nc(C(=O)NCc2nn(C)c3sc(C(=O)NC4CCC4)cc23)cs1 1565544141 OGPBDCQTVOPQIN-UHFFFAOYSA-N 389.506 2.612 0 40 GFAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)NCc1ccco1 2719686 HEHWJBUXEMLUNH-UHFFFAOYSA-N 399.497 2.882 0 40 GFAB COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@H]1c1cccc(OC)c1 5018283 HFNBPPVKYVPEDK-IBGZPJMESA-N 398.415 2.564 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(OC)cc3OC)CC2=O)c1 5189875 ZDJLAYQPQILUCK-ZDUSSCGKSA-N 385.420 2.639 0 40 GFAB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 5373438 XQOTYQHBQDRPKL-UHFFFAOYSA-N 377.447 2.809 0 40 GFAB Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc3c(c2)OCO3)n1 36708134 DFHNCJVYTKNLMF-UHFFFAOYSA-N 398.467 2.738 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19210916 DTJSXBCMEUHDJS-IRXDYDNUSA-N 380.492 2.604 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3csc(-c4cnn(C)c4)n3)c2)n1 40154781 OFDDUBDBXXMURN-UHFFFAOYSA-N 392.444 2.855 0 40 GFAB O=C(Nc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 40156885 LRTHUANMSCISFI-FQEVSTJZSA-N 393.487 2.506 0 40 GFAB C[C@H](/N=c1/scc(-c2cnn(C)c2)n1Cc1ncnn1C)c1cccs1 101353246 KNDKSZXLPPXLOH-VHJQFCBJSA-N 385.522 2.850 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1OC 20734528 BJMFYMUCKWWNGA-DYESRHJHSA-N 382.460 2.582 0 40 GFAB biogenic CC[C@H](C)N(C(=O)CSc1ncnc2ccccc12)[C@H]1CCS(=O)(=O)C1 8429497 YJMYSZNOYLVTBR-KBPBESRZSA-N 393.534 2.536 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC2CCCCC2)c1 2652736 BMPAFTCJJWTWAM-UHFFFAOYSA-N 393.553 2.847 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 806182 FXNBJFDUUWGNFI-UHFFFAOYSA-N 376.434 2.698 0 40 GFAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(-n4cncn4)nc3)o2)cc1 32905735 QKOKPOSAUNFQMG-LBPRGKRZSA-N 392.375 2.639 0 40 GFAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(Br)c1 78965079 AHWMAMPZAUKSMU-UHFFFAOYSA-N 378.175 2.989 0 40 GFAB COc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCC(N)=O 8470012 JVILWFLHZHFUME-UHFFFAOYSA-N 397.244 2.751 0 40 GFAB CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(N[C@@H]2C(C)C)C(=O)Nc2ccc(Cl)cc21 8995815 FVKQFELKGIGCNI-QCBUCWTNSA-N 389.883 2.517 0 40 GFAB CCn1nnc2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)ccc21 24191429 UMYQUGZNOMTSDM-UHFFFAOYSA-N 379.464 2.560 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)ccc2N1 25376179 DXVOGMCCYHMXAI-NEPJUHHUSA-N 376.400 2.971 0 40 GFAB O=C(NCCN1CCOCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 25701940 BWBMAPAZMZZLLE-UHFFFAOYSA-N 396.516 2.917 0 40 GFAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 12526640 TVVGHBXDIZBQBL-KRWDZBQOSA-N 383.517 2.949 0 40 GFAB NC(=O)c1ccc(CNC(=O)CCc2ccc(Br)cc2F)cc1 58215564 UIIMRMLRCCAESO-UHFFFAOYSA-N 379.229 2.936 0 40 GFAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCC(=O)O)ccc12 2153142 ZZYQVDPDIJIGIT-CYBMUJFWSA-N 375.421 2.884 0 40 GFAB biogenic O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccccc2O)CC1 3308058 HLNCMWRUUKAQAU-UHFFFAOYSA-N 386.395 2.922 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)NC2CCCCCCC2)Oc2ccccc21 10009247 ZBQRQWGMJLBVCW-GOSISDBHSA-N 380.510 2.833 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C 58323719 HHOHUEAUFNDSGY-SFHVURJKSA-N 390.505 2.522 0 40 GFAB CSc1n[nH]c(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n1 58356117 FAWGDAQZWXIWJZ-UHFFFAOYSA-N 390.494 2.585 0 40 GFAB COc1cc(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)cc(OC)c1OC 3358139 ZAVCIEGKVRFNPH-UHFFFAOYSA-N 391.395 2.667 0 40 GFAB O=C(c1ccc(F)cc1F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11154444 VHDRQMKVCRWJFZ-UHFFFAOYSA-N 380.416 2.548 0 40 GFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(-n2cc(C(N)=O)nn2)cc1 45855213 CBGSDWGJZNWEHM-OAHLLOKOSA-N 399.454 2.939 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1 12812788 HFYQLXHZBKSLSB-FUHWJXTLSA-N 393.487 2.985 0 40 GFAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1cccc(F)c1 3454930 QVALSIYQZAFDPM-UHFFFAOYSA-N 387.436 2.649 0 40 GFAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587340 MQCMXMJMQWSKNS-UHFFFAOYSA-N 386.517 2.887 0 40 GFAB COc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1OC 14139710 KVGYNBBGZRUWNG-CYBMUJFWSA-N 378.450 2.787 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCOC(C)C 408701662 BXXFUDAGYMULLU-UHFFFAOYSA-N 396.553 2.961 0 40 GFAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113958177 LPIFITKCWDDESW-NSHDSACASA-N 386.395 2.575 0 40 GFAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1OC 4511096 SEYIIJKIIDBMJU-GFCCVEGCSA-N 388.395 2.843 0 40 GFAB CCOc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 5450041 RGOJAGBSTBHVBS-NRFANRHFSA-N 398.415 2.660 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3N3CCCN23)cc1 19166873 RNJVDKSWQXFFLJ-AQNXPRMDSA-N 377.444 2.539 0 40 GFAB COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 4740132 ICHCNARBKJBGSA-SOUVJXGZSA-N 379.844 2.547 0 40 GFAB CC[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)NC(N)=O)n3C)cc2C1 5776353 CPFQKYRAJROQHS-ZJUUUORDSA-N 393.538 2.734 0 40 GFAB CSc1ncccc1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6882284 IWCZFDURORXSCJ-OAHLLOKOSA-N 376.503 2.633 0 40 GFAB CCOc1cc(Cl)c(S(=O)(=O)NCCCn2ccnc2)cc1Cl 4937436 UGWNQKKTBWUWKU-UHFFFAOYSA-N 378.281 2.957 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc2c(c1)OCCO2 4925416 RWPXWHCHHNADCF-UHFFFAOYSA-N 387.388 2.619 0 40 GFAB COc1cc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc(OC)c1OC 15511131 PBNWXUYPKKEWGR-UHFFFAOYSA-N 395.415 2.621 0 40 GFAB biogenic O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc(Br)cc1 20151954 LNAMGKPTQZBYRQ-UHFFFAOYSA-N 395.234 2.980 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C[C@H](C(=O)NC)Oc2ccccc21 7253036 BOUJRHJLVOPYCY-LJQANCHMSA-N 381.476 2.764 0 40 GFAB O=c1c2sccc2n(Cc2ccc3c(c2)OCO3)c(=O)n1-c1ccccc1 67257997 DDHFBTQIRYAJTG-UHFFFAOYSA-N 378.409 2.991 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(NC(=O)C(C)C)c2)cc1 24451278 JBUBBHRCAQZQFA-UHFFFAOYSA-N 389.477 2.718 0 40 GFAB CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)N2CCOCC2)=C1C 7986720 MINOWIVMQMOKRU-INIZCTEOSA-N 397.397 2.924 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)c(OC)c1 8217759 RWXWLOKXSDAPLN-CQSZACIVSA-N 397.431 2.654 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CSc2nc(-c3ccncc3)n[nH]2)n1 9672444 XWQVRJQIYKRCEH-UHFFFAOYSA-N 391.464 2.978 0 40 GFAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)ccc1Cl 97015144 AIGAJEZZXSDMQU-NSHDSACASA-N 391.280 2.545 0 40 GFAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cc(C(C)=O)cn4C)C3)nn2)cc1 95998031 UNEARZNXASIUPB-UHFFFAOYSA-N 393.447 2.582 0 40 GFAB O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@H]1CCCN(C(=O)c2cccs2)C1 89799905 FIANRUOZJRHWAN-JKSUJKDBSA-N 375.538 2.733 0 40 GFAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1OC 408588009 VUSZGVXGQRUSOZ-UHFFFAOYSA-N 394.449 2.751 0 40 GFAB COCCN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409136625 XVXRBUVKVUNIEZ-YRNVUSSQSA-N 388.239 2.846 0 40 GFAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124109 GGDHIGSLKGQSBD-INIZCTEOSA-N 381.388 2.592 0 40 GFAB biogenic CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 38836311 OMNZALSRRKNOKR-QGZVFWFLSA-N 393.915 2.853 0 40 GFAB O=C(O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218184399 DUWBNELAXSPBOM-PMPSAXMXSA-N 380.805 2.709 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)c1 72358240 RXOLJGNFTMTIGX-LJQANCHMSA-N 382.489 2.932 0 40 GFAB CCCn1cc([C@@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)cn1 71785020 WPUGFHSAHUMSNN-AWEZNQCLSA-N 397.460 2.786 0 40 GFAB COc1ccc(C(=O)Cn2nc(N)n(Nc3cccs3)c2=S)cc1OC 36625641 VWRYXLUNOMJSOF-UHFFFAOYSA-N 391.478 2.833 0 40 GFAB COCc1nn2c(ncc3c(=O)n(NC(=O)C(C)C)ccc32)c1-c1ccccc1 40396509 KXDIPQDKMXBCMR-UHFFFAOYSA-N 391.431 2.584 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 224039694 AFRRGFGVNWZJDW-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB O=S(=O)(Cc1cc(F)cc(F)c1)NC[C@@](O)(c1ccco1)c1cccs1 225590291 DARRQGJDJCBJMS-QGZVFWFLSA-N 399.440 2.975 0 40 GFAB Cc1cc(Cn2nnc(C(=O)N3CCn4c(cc5ccccc54)C3)c2C)on1 570707842 WWHRZNHYXOSELI-UHFFFAOYSA-N 376.420 2.542 0 40 GFAB CCOc1ccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220079140 LZGUSAJUHLYTGX-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB Cc1cccc(CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 225866141 FRVMJWJZAZYQLY-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1 46543233 FGAQGWJEZXOCBT-UHFFFAOYSA-N 388.489 2.601 0 40 GFAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccccc1F)S(C)(=O)=O 220296893 UZOKGWGCHSGEJG-AWEZNQCLSA-N 376.453 2.565 0 40 GFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCN1C(=O)[C@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 238881972 BQQVNSIEULXIPZ-ZYKUOIRYSA-N 388.508 2.609 0 40 GFAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(Cc3cccs3)C[C@H]21 514290382 ZRLUNQCOGNLVFP-QUCCMNQESA-N 394.500 2.866 0 40 GFAB biogenic,in-vitro O=C(O)c1coc(NCC2(c3ccc(Br)cc3)CCOCC2)n1 580079932 JRCRPIBDNNLIHG-UHFFFAOYSA-N 381.226 3.296 0 40 GFAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1 96296932 UJZYIWSJCFUIHU-LLVKDONJSA-N 384.392 2.581 0 40 GFAB biogenic,in-vitro O=C(O)c1c(F)cc(I)cc1I 96171739 CSEMASFUYROSBB-UHFFFAOYSA-N 391.905 2.733 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2cccc(OC)c2)cc1 257294174 QSWXIWICTAGCRA-OAQYLSRUSA-N 396.487 2.610 0 40 GFAB CN(C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 90608971 PJIIKWJVLXTQEP-CYBMUJFWSA-N 382.473 2.763 0 40 GFAB CN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(CCC(F)(F)F)CC1 630006959 VLGPVLCLSJGATN-UHFFFAOYSA-N 385.434 2.566 0 40 GFAB O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(Cl)ccc1-n1cncn1 648410364 RZOAUEJEZSKIJU-MAUKXSAKSA-N 383.839 2.966 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@H](Oc2ncc(F)cn2)C1 390827778 KCZSZNIMOLHRKA-NSHDSACASA-N 392.239 2.765 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 585291779 CPSTXWSXIQVJMU-BLGFXRMMSA-N 386.459 3.430 0 40 GFAB COc1ccc(CN2C(=O)CS[C@H](C(=O)O)[C@H]2c2ccccc2)c(OC)c1 824573127 NBARMBZHMKCEBP-MOPGFXCFSA-N 387.457 2.974 0 40 GFAB Cc1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)ccn1 1615122014 OVFPZPQVAAGBLF-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB CNc1ccc(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)c(Cl)c1 1618175506 MUHNVMBELFTEFF-HNNXBMFYSA-N 387.915 2.717 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c(OC)c1 5329595 TXJFWJRQCMGYLP-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)NCc2cccnc2)cc1 5521120 GCFILXCLGFWIHR-UHFFFAOYSA-N 375.494 2.545 0 40 GFAB Cc1sc2nc(C(C)C)n(C3CCN(CC(=O)N(C)C)CC3)c(=O)c2c1C 12145449 IDJFHBSXVGPPJU-UHFFFAOYSA-N 390.553 2.923 0 40 GFAB Cc1ccccc1C1=NO[C@H](CC2(C(=O)N3CCC(O)CC3)CCOCC2)C1 19236946 SQNQPIVKDUQKKD-SFHVURJKSA-N 386.492 2.658 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)c1 19711284 HLLMBIBIWYYOSU-UHFFFAOYSA-N 397.523 2.596 0 40 GFAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cccc(N4CCOCC4)c3C)C2)cc1 19716595 RMSGPTNUJOSNRI-HSZRJFAPSA-N 380.488 2.874 0 40 GFAB O=C(NCC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21)c1ccccc1 19749001 GOVULEJIVROCAJ-GOSISDBHSA-N 391.475 2.633 0 40 GFAB COC(=O)C1[C@@H](c2ccccc2)C(C(=O)N2CCN(C)CC2)[C@H]1c1ccccc1 19893302 HZUPVYCEFDDLAF-FDRBHKFBSA-N 392.499 2.747 0 40 GFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C1CCOCC1)C2 643574858 VYPXRKMQJJIILP-UHFFFAOYSA-N 376.497 2.745 0 40 GFAB COc1ccc(CN2CC3(CCN(C(=O)Cc4ccccn4)CC3)CC2=O)cc1 1565542297 ITIQAIDFVCKQSU-UHFFFAOYSA-N 393.487 2.674 0 40 GFAB COc1ccc(CC(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1OC 4377100 ALGZQGVLGFDWFD-UHFFFAOYSA-N 389.415 2.990 0 40 GFAB C[C@H](NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)c1ccccc1 12440017 CFWDFSCWKLXCCL-LBPRGKRZSA-N 382.445 2.504 0 40 GFAB CCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CCCCC3)nnc12 35528657 KHIAMJXBGCPXLQ-UHFFFAOYSA-N 387.509 2.897 0 40 GFAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)ccc21 252478238 AGBDERJKFYBAFA-QGZVFWFLSA-N 389.814 2.759 0 40 GFAB FC(F)(F)c1nnc2ccc(N3CCC[C@H](COc4nccs4)C3)nn12 2298216366 KQZDGDCFDKVQBR-JTQLQIEISA-N 384.387 2.895 0 40 GFAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)cc12 40062138 DZULEOSUJCRSOH-HNNXBMFYSA-N 393.495 2.614 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)N(Cc3cnn(C)c3)C(C)C)cc2C1=O 40157042 MYXKCBCLVHBVSE-UHFFFAOYSA-N 382.464 2.867 0 40 GFAB COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc(OC)c1OC 100190735 GLMBLAKMEVSUAQ-ZDUSSCGKSA-N 395.415 2.503 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(C)C 20745016 PTTBSFBTTSPVPR-RDJZCZTQSA-N 390.871 2.918 0 40 GFAB C[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)c1c[nH]c2ccccc12 21591484 OHUJYGDCLQTJCD-AWEZNQCLSA-N 379.416 2.828 0 40 GFAB CC(C)[C@@H](C(=O)OCc1nccn1C(F)F)N1C(=O)c2ccccc2C1=O 32853902 HWDRXDOUFRXKBD-AWEZNQCLSA-N 377.347 2.642 0 40 GFAB Cc1sc2ncn(CCC(=O)NCCc3nc4ccccc4[nH]3)c(=O)c2c1C 32895898 BGVPOFBLIWGKPY-UHFFFAOYSA-N 395.488 2.700 0 40 GFAB CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1 1238139 XLECGXWXLVJPQO-UHFFFAOYSA-N 396.476 2.801 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 4387548 YGMQTFAWIBFVRZ-CJXOWJITSA-N 378.350 2.841 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6597159 DNZYYPFGZGMISZ-UHFFFAOYSA-N 382.526 2.983 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 7086184 HQQGSQJXSHMQNS-NSHDSACASA-N 384.354 2.762 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCCC1 8560280 HQEYKWKHMUMZTC-HNNXBMFYSA-N 388.489 2.971 0 40 GFAB Cc1cccc(OCC(=O)Nc2nonc2NC(=O)COc2cccc(C)c2)c1 677042 QUXGDLYRIJTUQA-UHFFFAOYSA-N 396.403 2.721 0 40 GFAB CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 8732548 ZBGPZEUPVQOESP-CQSZACIVSA-N 398.415 2.540 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(Cn2cnc3cc(F)ccc3c2=O)n1 53400526 NIBCIKBJGFNVKZ-UHFFFAOYSA-N 391.410 2.657 0 40 GFAB Cc1ccc2nc(SCC(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 22733666 UCHHZIOSTRZTJI-HUUCEWRRSA-N 376.526 2.579 0 40 GFAB CCOc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 22929976 OQIIQHLXLCJCJN-UHFFFAOYSA-N 378.476 2.640 0 40 GFAB O=C(NC1=NCCS1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 23028070 XRNAVVUJFFTRNW-JLHYYAGUSA-N 387.486 2.932 0 40 GFAB O=C(NCCc1cccs1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 23483665 LVHJSHPJJHGASC-QGZVFWFLSA-N 378.519 2.650 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)C4[C@@H]5CCCC[C@@H]45)CC3)ncc2C1 100748730 CVZMVCJRXMOZEM-QZTJIDSGSA-N 382.508 2.523 0 40 GFAB Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 54679589 RXNPMSLLDOPKKU-NSHDSACASA-N 386.271 2.709 0 40 GFAB C[C@@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 24282856 HKBAGSCGGLUCEM-NSHDSACASA-N 383.791 2.716 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 59471964 MYPFVYPWFLHADM-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB CCn1c(=O)c2ccccc2n2c(CN(C)Cc3ccc(OC)cc3)nnc12 24791343 RGIBPEKBKREOMU-UHFFFAOYSA-N 377.448 2.705 0 40 GFAB COc1ccc(C)cc1NC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 43279833 YAEBSGDGVJZEAX-CYBMUJFWSA-N 377.466 2.876 0 40 GFAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@@H]1C=CS(=O)(=O)C1)CO3 20622480 QBIGGYANQLBTTN-LLVKDONJSA-N 381.837 2.526 0 40 GFAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(=O)O)cc(C)c3C)ccc21 12521455 ASLLFBNQYMPEAD-UHFFFAOYSA-N 388.445 2.711 0 40 GFAB COc1ccc2cc([C@@H](C)C(=O)N3CCN(CC(=O)NC(C)C)CC3)ccc2c1 35306235 GTJAGSFVSLSTPI-QGZVFWFLSA-N 397.519 2.621 0 40 GFAB COC(=O)CSc1sc(C(=O)OC)c(N)c1NC(=O)c1ccccc1 27562667 HSLDVBLLXZHRPI-UHFFFAOYSA-N 380.447 2.634 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)cc1 58180010 ZUZQDCRGIUFLBD-NSHDSACASA-N 377.397 2.924 0 40 GFAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCCC[C@H]1C)OCO3 2238385 VWEIRIBVULLQFJ-GFCCVEGCSA-N 387.436 2.886 0 40 GFAB CC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 3338658 DCBPSBOIRHTLKR-UHFFFAOYSA-N 383.372 2.903 0 40 GFAB O=C([C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCOCC1 12750162 YYCAMFFLCKQWJP-JOCHJYFZSA-N 393.487 2.503 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2[nH]1 12735949 BBKADIVGCOANBU-UHFFFAOYSA-N 378.841 2.523 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)c(OC)c1 11584529 YSWKUTVJCVPDDO-GOSISDBHSA-N 386.423 2.936 0 40 GFAB Cc1cc(N2CCN(Cc3ccc(Br)s3)CC2)n2ncnc2n1 12862253 BKSBVXUCTAJUFC-UHFFFAOYSA-N 393.314 2.579 0 40 GFAB COc1ccc(Oc2cc(NC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2OC)cc1 13006459 AQTWEZBFBUTQKW-CYBMUJFWSA-N 391.445 2.869 0 40 GFAB CN1CCN(c2ccccc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 8720360 UAYXUYBUFDXXKC-UHFFFAOYSA-N 392.503 2.746 0 40 GFAB CCOc1ccc(SCC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1 13181239 SWZDMWWSDNJVQX-UHFFFAOYSA-N 388.445 2.631 0 40 GFAB COc1ccc(-c2noc(COC(=O)[C@@H]3COc4ccccc4O3)n2)cc1OC 8540398 HLVXJIJVPOHMBH-KRWDZBQOSA-N 398.371 2.637 0 40 GFAB COc1c2c(cc3c1[C@H](C[C@H](O)c1ccc4c(c1)OCO4)N(C)CC3)OCO2 4028860 SGLZUWYAYMZTKG-GJZGRUSLSA-N 385.416 2.805 0 40 GFAB biogenic CCOC(=O)Cc1csc(SCC(=O)N2CCc3ccccc3C2)n1 5015098 AIBYWIHGDWRVPT-UHFFFAOYSA-N 376.503 2.926 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C 5086195 KUPBJNKQZSJTLS-LJQANCHMSA-N 387.501 2.898 0 40 GFAB O=C(NCCO)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 6112679 KEGLFNMIZVPSBU-UHFFFAOYSA-N 375.384 2.834 0 40 GFAB biogenic CC(=O)Nc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c1 14085025 ANFYACWVDNWLPQ-UHFFFAOYSA-N 395.506 2.746 0 40 GFAB COc1ccc(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1OC 5347675 TVLMFHCMUGTWFW-IBGZPJMESA-N 384.388 2.607 0 40 GFAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)[nH]c2c1C(=O)CCC2 14255327 AGFSTYWBCBZZSZ-UHFFFAOYSA-N 393.487 2.735 0 40 GFAB O=C1CN(C(=O)CSc2nnc(Cc3ccccc3)o2)c2ccccc2N1 6543868 MJRBWLPXCDNLMB-UHFFFAOYSA-N 380.429 2.738 0 40 GFAB O=C(CSc1nnc(CCCO)n1-c1ccccc1)N1CCc2ccccc21 4694499 MWBOLQIOKZTWBY-UHFFFAOYSA-N 394.500 2.874 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 5677756 OUUNCBJDBVNQPX-HNNXBMFYSA-N 380.400 2.652 0 40 GFAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(OC)c3)CC2)cc1 27228758 IRQWXYVDVWWVGM-FQEVSTJZSA-N 398.503 2.850 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2ccc(F)cc2)C1 29116023 BXKKSLCUKMDHMJ-LJQANCHMSA-N 395.434 2.985 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 24609343 FGZBOIABVWLTBF-UHFFFAOYSA-N 378.538 2.986 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCCc1cc(F)cc2c1OCOC2 67535014 YNYADFJGDBTUOB-NSHDSACASA-N 376.432 2.645 0 40 GFAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1ccco1 9053787 YQRXIBRYGSRZIX-UHFFFAOYSA-N 392.440 2.782 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)NCC(C)(C)N2CCCCC2)cc1 7779024 WVYUWNJZXAAUFY-UHFFFAOYSA-N 375.513 2.584 0 40 GFAB Cc1cc(N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)nc(C(C)C)n1 9338171 OXOSJCOVBFLACH-UHFFFAOYSA-N 384.509 2.509 0 40 GFAB Cn1ccnc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1=O 72307876 WUNXWWXUZCDHDG-UHFFFAOYSA-N 376.254 2.993 0 40 GFAB CC1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)NCc2ccco2)CC1 67870782 BAVBZWWNFSAJQP-GBESFXJTSA-N 390.597 2.686 0 40 GFAB biogenic,in-vitro O=C(C[C@]1(C(=O)O)CCSC1)Nc1ccc(C(=O)NC2CCCC2)cc1 71846851 LNJGSVUNNPYKRZ-LJQANCHMSA-N 376.478 2.896 0 40 GFAB Cc1cc(C(=O)O[C@H](C)c2nc3ncc(Br)cc3[nH]2)cc(=O)[nH]1 95468006 YSWYPZWRUDQWFU-MRVPVSSYSA-N 377.198 2.635 0 40 GFAB NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)cn2)c1 95949399 OYUVNLNUYZDKKT-UHFFFAOYSA-N 394.884 2.625 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 28045800 XPXHMMXSJBZHJL-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408529760 JGROFOCEOYWATE-HNNXBMFYSA-N 388.489 2.732 0 40 GFAB COc1ncccc1CN1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306123239 AIEYGXZHNLKIGI-SFTDATJTSA-N 388.471 2.973 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)C1CN(C(=O)COc2ccccc2F)C1 70637438 INAVWBMHVBIJHQ-MRXNPFEDSA-N 384.451 2.800 0 40 GFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CC1CCCC1)CC2 72372284 MENGATRHRCNOCG-UHFFFAOYSA-N 399.539 2.709 0 40 GFAB CCOc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44911324 QCDUOOYNBDJYFV-SFHVURJKSA-N 390.461 2.559 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1 223888650 PXISZPOWQWXNOC-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB CCc1ccc(-n2c(C)nc3nc(N4CCOCC4)nc(O)c3c2=S)cc1 40386857 UFYBHCYUPAJVRH-UHFFFAOYSA-N 383.477 2.958 0 40 GFAB CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224801639 WMPDWJZHGAGDSD-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB CC(C)(C)c1n[nH]c(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 575101160 YEDLLGFVGNAQJT-IKGGRYGDSA-N 383.496 2.816 0 40 GFAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224009438 CNDDOGZZZWPIBS-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB CCOc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 223652466 SXYWBFTVLSVZDT-MRXNPFEDSA-N 390.505 2.771 0 40 GFAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225949981 XOJJQLWBYURBJR-LJQANCHMSA-N 390.461 2.641 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)/C(=C\c1ccccc1)NC(C)=O 97653891 CGMNWDUNBWZPCD-RAOBZKRQSA-N 382.416 2.743 0 40 GFAB O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCC2(CC1)OCCc1ccccc12 583801049 LGMZTUAAEOBYGD-UHFFFAOYSA-N 399.472 2.521 0 40 GFAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)s1 96225905 KVLIBFKJJRVMBR-HXUWFJFHSA-N 384.505 2.831 0 40 GFAB CN1C[C@H](NC2CCC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113501 PTQNFKCLANZGJV-DNVCBOLYSA-N 393.478 2.740 0 40 GFAB biogenic,in-vitro CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@H](CNc3nccs3)CO2)C1 96075727 HZHSMZGKXVYJSA-BEFAXECRSA-N 389.525 2.791 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCCc1nc(-c2cccs2)cn1C 90606977 ALMZVAYYIYVFJB-UHFFFAOYSA-N 395.481 2.817 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 90612622 TXOQMHLWJUZFPR-CQSZACIVSA-N 383.853 2.779 0 40 GFAB O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccnc2ccnn12 626234305 TVADCJRMSBKLFH-CQSZACIVSA-N 396.451 2.596 0 40 GFAB COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](C(=O)O)[C@H](C)C1)N1CCCC1 626744068 BDACCZGYWNHVSN-NUJGCVRESA-N 389.496 2.584 0 40 GFAB O=C(c1csc(CCc2ccccc2)n1)N1CCNCCC12CCOCC2 1615590674 LYUNVQIQUUHOIY-UHFFFAOYSA-N 385.533 2.913 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CCC(C)C)C[C@@H]23)oc1C 585106038 GULBRPLDOVGKTG-MSOLQXFVSA-N 387.524 2.595 0 40 GFAB CCNC(=O)Nc1cccc(F)c1C(=O)OCC(=O)N1CCCCCCC1 51553366 OFHRUAXUWRFXHN-UHFFFAOYSA-N 379.432 2.917 0 40 GFAB CCCCCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O 5084183 OMKPAHCESTXRRD-UHFFFAOYSA-N 395.507 2.887 0 40 GFAB O=C(Nc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1)c1ccco1 12536064 ASDGTXBWUXQULG-UHFFFAOYSA-N 398.400 2.502 0 40 GFAB CCC(=O)c1ccc(OCC(=O)OCC(=O)NCCCc2ccccc2)cc1 13024234 YEFZBTPAYQBGRD-UHFFFAOYSA-N 383.444 2.950 0 40 GFAB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 19502121 GMHZTUATHNAEMF-RBUKOAKNSA-N 376.549 2.644 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(C)c1C 19556112 KSYQIOFEOQUQPE-AWEZNQCLSA-N 396.539 2.601 0 40 GFAB Cc1cc(C)nc(N2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)n1 19692602 AHJMWCYMRZDQJK-HXUWFJFHSA-N 389.459 2.832 0 40 GFAB COCc1cc(CN2CCC(c3nnc4n3CCNC4)CC2)ccc1OC(C)C 19711286 QCFUAXHOTCJRMY-UHFFFAOYSA-N 399.539 2.695 0 40 GFAB CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)O[C@@H](C)C2)sc2c1CCC2 19791870 MGPMHJCJCPPNSO-STQMWFEESA-N 380.510 2.851 0 40 GFAB Cc1ccn(CCNC(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)n1 13227748 RFUVGWCIPWOROC-UHFFFAOYSA-N 397.504 2.582 0 40 GFAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@@H]1CCCN(c2cnccn2)C1 29956435 KINNNVCCTVZNLL-APWZRJJASA-N 382.464 2.890 0 40 GFAB Cc1ccncc1C(=O)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037989019 RMPUTSZQBLYFNQ-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB Cc1csc(C(=O)N2CCCn3cnc(C(=O)Nc4cccnc4)c3C2)c1 1565546202 VNVPZSXJNWOLLW-UHFFFAOYSA-N 381.461 2.946 0 40 GFAB COC1(CC(=O)N2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)CCC1 1565542936 LDVOLQDCVRIGGN-CTNGQTDRSA-N 388.508 2.955 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)N3CCc4ccccc4C3)CC2=O)cc1 4373640 HKQJXECFWHKAOF-GOSISDBHSA-N 379.460 2.959 0 40 GFAB CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 4303861 QTPQQXXVNQWXCD-UHFFFAOYSA-N 379.464 2.635 0 40 GFAB CCc1ccc(NC(=O)C[C@@H](NCCNc2ccccc2OC)C(=O)O)cc1 5257719 WRDJUBCFEUTEDQ-GOSISDBHSA-N 385.464 2.741 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccco1 10331073 NJAOFDYYLVSQIS-ZDUSSCGKSA-N 385.342 2.536 0 40 GFAB Cc1cc(C)n(-c2cc(OCC3CCN(C(=O)c4ccncc4)CC3)ncn2)n1 1775974477 HJWIBTVPQVKIRV-UHFFFAOYSA-N 392.463 2.605 0 40 GFAB CN(C)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 38946855 HZBHKRUKNGIISR-LEWJYISDSA-N 395.478 2.980 0 40 GFAB O=C(Cn1cnc(-c2cccs2)cc1=O)Nc1cc2ccccc2oc1=O 49028297 WBUOTUSEZUNMMC-UHFFFAOYSA-N 379.397 2.717 0 40 GFAB O=C(c1nccc2ccccc12)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 585502940 YWCLKZDSXMJHMX-UHFFFAOYSA-N 388.471 2.833 0 40 GFAB COc1ccc(OC)c([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)c1 244969047 GVYXQJVKXAKNHC-FASAQXTFSA-N 393.447 2.954 0 40 GFAB Cn1nccc1CN1C[C@H]2C[C@H](O)[C@@H](n3ccnc3-c3ccccc3)C[C@H]2C1 2332242598 CBLHHOBDSOQXCZ-YHELAOLJSA-N 377.492 2.728 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@H]3C2=O)cc1 100033391 ACCQGHIXOMPUAC-DLBZAZTESA-N 397.822 2.580 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2csc(-c3ccco3)n2)C1=O 30521322 XUJWPMQSSXDSCM-LJQANCHMSA-N 396.428 2.905 0 40 GFAB COc1c2c(cc3c1[C@H](C[C@H](O)[C@@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 100755111 TWOLFEWIKVSGFO-PMPSAXMXSA-N 377.481 2.909 0 40 GFAB biogenic Cc1nn(-c2ccccc2)c2sc(C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)cc12 101458327 TXNULSPVYPWICL-GJZGRUSLSA-N 380.473 2.889 0 40 GFAB Cc1nc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)sc1CC(N)=O 32871332 JGMUURLGMGYFHM-GXSJLCMTSA-N 381.498 2.976 0 40 GFAB CC(C)C[C@@H](NC(=O)COC(=O)c1sccc1-n1cnnn1)c1ccccc1 46275117 RIGWUQDZNCJOMK-OAHLLOKOSA-N 399.476 2.784 0 40 GFAB CCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC)=C(C)Nc2ncnn21 959051 HNEKKYQELJIPSF-CQSZACIVSA-N 393.241 2.901 0 40 GFAB Cn1cc(-c2ncc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)s2)cn1 78806400 LGZLDWRZDYLNDR-CYBMUJFWSA-N 393.476 2.606 0 40 GFAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)NC[C@H](C)c3ccccc3)ccc21 21867650 OEQYWOGAXHPKAK-GJZGRUSLSA-N 380.448 2.916 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C)c1C 3482250 QCRRACWQZIWHEZ-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB O=C1N[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269954 BPVKQRQJQSDSDR-HEHGZKQESA-N 399.756 2.839 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 4352013 MQDDJNIJIMIGMH-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB Cn1c(=O)c(Sc2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21 6816934 MVXHNVBQCLRGAF-UHFFFAOYSA-N 380.425 2.953 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1ccccc1 6817918 QOCWDISJINUGFD-UHFFFAOYSA-N 386.458 2.542 0 40 GFAB Cc1cccc2c(=O)nc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)[nH]c12 53517345 HKRMSQUXGAXDSO-UHFFFAOYSA-N 389.459 2.712 0 40 GFAB COC(=O)c1ccc(C(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)cc1 100908898 UVQFDAXZAQNIKP-VXPUYCOJSA-N 386.429 2.785 0 40 GFAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C 104265237 JTYFUNWYLQZNBQ-VWVPQACVSA-N 389.496 2.996 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)s2)s1 23260885 GWMTZMUGASNFBT-UHFFFAOYSA-N 378.928 2.920 0 40 GFAB CCCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC)CCCC4)CC1 12391660 PLGRYDGMKCCXIY-UHFFFAOYSA-N 388.537 2.805 0 40 GFAB CCOc1ccccc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 982834 POFHTPMSFBLKNI-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 24331368 SMAYWEWJBCINCO-OAHLLOKOSA-N 398.488 2.812 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1 22054194 AIOABGMGSDGEGP-MRXNPFEDSA-N 380.444 2.554 0 40 GFAB Cc1cc(C(=O)CSc2nc(O)c3cn[nH]c3n2)c(C)n1C[C@H]1CCCO1 24747817 QWGYFNGQEDFSSS-GFCCVEGCSA-N 387.465 2.631 0 40 GFAB CC(C)(C)c1cc(NC(=O)Cc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 24843067 FJAFIRYWOKHJLM-HNNXBMFYSA-N 375.494 2.721 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 24968398 PIJJPPOKQABQBR-UHFFFAOYSA-N 394.460 2.632 0 40 GFAB COc1ccc(CSc2nnc(-c3ccco3)n2CCC(N)=O)cc1F 24991772 QISHOTYLVIHQHA-UHFFFAOYSA-N 376.413 2.854 0 40 GFAB O=C(CCn1cnc2ccccc21)NCc1ccccc1CN1CCOCC1 12509484 VPUTXKIYVGYBSN-UHFFFAOYSA-N 378.476 2.575 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccccc2F)CC1 12543893 VJKPNBNEASJKQM-UHFFFAOYSA-N 396.466 2.712 0 40 GFAB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102319137 NAYFKERATFMCGJ-HKWCOGSCSA-N 388.489 2.823 0 40 GFAB COc1ccc2nc(C(=O)NCC(=O)N3CCCc4ccccc43)ccc2c1 57270011 OMSMURPRMSBWTC-UHFFFAOYSA-N 375.428 2.953 0 40 GFAB O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cc2c(s1)CCC2 108366935 LWCLVOXZTRTEFA-ROUUACIJSA-N 395.528 2.566 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 55745387 GQGOAFALUGHVHR-UHFFFAOYSA-N 376.453 2.889 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 27100939 BCIMATBBNBQZHH-OAHLLOKOSA-N 385.489 2.767 0 40 GFAB Cc1ccc(-n2nc(C(=O)N3CCC[C@@H](C(=O)N(C)C)C3)c3c2CCC3)cc1 58155878 WOICBJDODCRUPW-MRXNPFEDSA-N 380.492 2.610 0 40 GFAB Cc1ccc(NCC(=O)Nc2cc(F)ccc2F)c(OCC(=O)N(C)C)c1 58178197 IBBMJHJUMUBGBV-UHFFFAOYSA-N 377.391 2.791 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 52412142 ZLLOVCCTFLQAAB-OAHLLOKOSA-N 382.416 2.620 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 48275377 QGUKHXZEYLLCHC-GOSISDBHSA-N 390.491 2.946 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375219 OEQOFPVKTPPLQY-UHFFFAOYSA-N 378.881 2.923 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 58406492 UHXXUZWRVVCSND-AWEZNQCLSA-N 399.472 2.820 0 40 GFAB CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN(C)C 2299854 XVHZIPDAVBZSGY-UHFFFAOYSA-N 382.258 2.997 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c[nH]c12 3322739 VDBFRAUKWNGQIT-FOIQADDNSA-N 386.473 2.910 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H]1COc2ccccc2O1 48353735 YXEUQOIHPVQPEB-PKOBYXMFSA-N 378.428 2.907 0 40 GFAB Cc1sc2nc([C@H](C)N3CCN(Cc4cscn4)CC3)[nH]c(=O)c2c1C 48300135 AWNQXUHJGVLKAQ-LBPRGKRZSA-N 389.550 2.937 0 40 GFAB CCOCc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C)cc1 64587565 HJJDTZNHBWIMBJ-UHFFFAOYSA-N 381.476 2.860 0 40 GFAB Cc1ccc(C)c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 408706243 YLUVGHSGKIGGGM-UHFFFAOYSA-N 376.478 2.712 0 40 GFAB Cn1c(=O)c2c(nc3n(-c4ccccc4F)c(-c4cccs4)cn23)n(C)c1=O 8642855 IYHHXYDYHPCEFF-UHFFFAOYSA-N 395.419 2.543 0 40 GFAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 5230235 WXFIAEYBNJUEGW-HNNXBMFYSA-N 399.447 2.570 0 40 GFAB Cc1nccn1-c1ccccc1Cn1cnc2sc3c(c2c1=O)CCNC3 65460696 VRPULHSXKWUVRH-UHFFFAOYSA-N 377.473 2.646 0 40 GFAB COc1ccc(/C=C2\C(=O)N(C(C)=O)CC(=O)N2Cc2ccc(F)cc2)cc1 5383056 GCBFMLFMOHHNQS-YBFXNURJSA-N 382.391 2.593 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O 21636538 IJRYAXLMZBVDDI-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB O=c1/c(=C/c2ccc(I)o2)sc2nc3ccccc3n12 4550609 ZGTPZXGQXOOAOX-XFFZJAGNSA-N 394.193 2.655 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nn(CN(C)C3CCCC3)c(=S)n2c1 14244936 UCFSTQOCLRYEOC-UHFFFAOYSA-N 397.570 2.728 0 40 GFAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1ccc(Cl)cc1 14245061 KPOFZKPGAUVLHS-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1c2ccccc2C[C@@H]1C 6545648 SMVBGTFDKQZCPS-HNNXBMFYSA-N 387.505 2.635 0 40 GFAB CCn1c(C)nc2cc(C(=O)N3N=C(CCOC)C[C@]3(O)C(F)(F)F)ccc21 5524836 LGUSAYONGHTULV-KRWDZBQOSA-N 398.385 2.854 0 40 GFAB COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccccc1Cl 8987821 RBEBRSRCORWTOF-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB CN1C(=O)[C@]2(N=C(N)NC(Nc3cc(Cl)cc(Cl)c3)=N2)c2ccccc21 19325492 LBYBUHLRQNNVFC-KRWDZBQOSA-N 389.246 2.509 0 40 GFAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](Cc2ccncc2)C1 96007848 ZYGOVBJBRDVVBL-IRXDYDNUSA-N 375.538 2.810 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 7216804 MACGNSXXERFKGD-UHFFFAOYSA-N 385.388 2.880 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2c(NC(=O)C3CC3)sc(C)c2C)no1 7283173 IFKUSUHFXHUHQG-UHFFFAOYSA-N 377.422 2.805 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)N1CCCC1 7268090 WYPHAHWNPQKARD-ZDUSSCGKSA-N 382.302 2.639 0 40 GFAB Cc1nn(Cc2cc(Cl)c3c(c2)OCCCO3)c(C)c1S(=O)(=O)N(C)C 7978412 LPAMSUOROVCZFK-UHFFFAOYSA-N 399.900 2.613 0 40 GFAB CSc1cccc(NC(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)c1 7981888 CMRYVGQNHBTJNZ-UHFFFAOYSA-N 379.459 2.608 0 40 GFAB O=C(CN1C(=O)COc2ccccc21)N1CCC(c2nc3ccccc3o2)CC1 8232004 IIOVMCQKUWICBU-UHFFFAOYSA-N 391.427 2.959 0 40 GFAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(-n2ccnc2)cc1 9378281 KZWSBIHTFHJPIQ-MRXNPFEDSA-N 390.443 2.865 0 40 GFAB CC(C)OC(=O)N1CCC(N[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 95462840 PWABVGHBPLOLEU-INIZCTEOSA-N 384.473 2.643 0 40 GFAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(C)c1)C3 20795992 YHDLAJTXEDZSEO-ZDUSSCGKSA-N 382.445 2.611 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccsc4)C[C@H]2S3(=O)=O)cn1 306124593 BTZKUSIZPJZWOB-IEBWSBKVSA-N 385.514 2.904 0 40 GFAB CC(C)N(CCCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)C(C)C 74337540 COYLUWWIRNRLIA-UHFFFAOYSA-N 375.513 2.769 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 89761811 JLXXVQXRPUVYHU-IBGZPJMESA-N 398.503 2.734 0 40 GFAB O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccn(-c2ccccc2F)n1 89821324 MQWQIFFOHCJKTE-HNNXBMFYSA-N 379.313 2.892 0 40 GFAB COCCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 67245559 LMBUOPIHTDTXQV-UHFFFAOYSA-N 388.898 2.603 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 30757153 RPXPACQZSLKVSC-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB COc1ccc(CSCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 409113648 FEJFJURIEOZGGG-UHFFFAOYSA-N 394.518 2.963 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 408588089 CCPNVTQMKGSKTQ-ZDUSSCGKSA-N 390.461 2.593 0 40 GFAB O=C(CCOc1cccc(Br)c1)NCc1nnc2ccccn12 32524084 YHZKGOUZZACDTH-UHFFFAOYSA-N 375.226 2.577 0 40 GFAB COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 77266212 JPHXYXVPEPNUJV-QGZVFWFLSA-N 383.423 2.597 0 40 GFAB biogenic,in-vitro COc1ccccc1N1C(SCc2ccccc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32640562 ZPHOHYGYLFXGEI-RDJZCZTQSA-N 388.514 2.970 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCC(C)C 225210602 AETHTFUABGDHGR-UHFFFAOYSA-N 385.555 2.812 0 40 GFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 222790036 OLCVRHUVXPCRAS-SFHVURJKSA-N 376.478 2.583 0 40 GFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(-n2ccnc2)nc1 61555807 ZQABBICUEXSOJJ-UHFFFAOYSA-N 378.436 2.599 0 40 GFAB CC(C)(Cc1ccccc1)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225084102 WDKWYKIHAYIUJX-UHFFFAOYSA-N 392.496 2.725 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CSCc2ccccc2F)s1 225318176 JPSKZPDIMOVPCV-UHFFFAOYSA-N 387.483 2.814 0 40 GFAB COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cn(C)nc3C3CC3)C2)c1 581718940 LWXMGACUTYRJAV-CQSZACIVSA-N 384.480 2.571 0 40 GFAB CCCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96263537 UGWBQBHYXSQSEO-UHFFFAOYSA-N 378.538 2.972 0 40 GFAB CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(F)cc2)CN(C)C(=O)C1 96113422 IYDKKCKJNGEEII-IEBWSBKVSA-N 377.504 2.801 0 40 GFAB biogenic,in-vitro Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC(=O)N2C)cc1 96181235 MBPUTTBQAVIFEI-RBBKRZOGSA-N 393.487 2.990 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(N4CCCC4)c(F)c2)[C@H]3C1=O 248182255 ZILOSTZZASHIHE-MDPIYQRISA-N 399.466 2.555 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)Cc1noc2ccccc12 96124201 FTSYQSAGWLNMJZ-UHFFFAOYSA-N 375.406 2.737 0 40 GFAB O=S1(=O)C=C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 575422955 DTOFDIUNAUHVKR-INIZCTEOSA-N 397.905 2.842 0 40 GFAB COc1ccc(CN2CCc3oc(C(=O)N4CCC(F)(F)CC4)nc3C2)nc1 585111404 ABUCBCRDSFTBHW-UHFFFAOYSA-N 392.406 2.508 0 40 GFAB O=c1/c(=C\c2ccco2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 5666119 VQLHHFPYONZRRL-WORNYLJVSA-N 385.448 2.959 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NC[C@@H](c3ccccc3)N3CCCC3)cnc12 13002711 GPYBPMSJDRIDKY-FQEVSTJZSA-N 390.487 2.658 0 40 GFAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3ccco3)c2n1 13010426 SYMFKYNDUBPHCL-UHFFFAOYSA-N 386.481 2.562 0 40 GFAB Cc1c(NC(=O)c2cccc(N3CCCC3=O)c2)c(=O)n(-c2ccccc2)n1C 18076740 BEGPDWDEDDDUMA-UHFFFAOYSA-N 390.443 2.864 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 19020332 QVGWDSBLNPAZPT-JXFKEZNVSA-N 381.432 2.540 0 40 GFAB Cc1nn(C)cc1C(=O)N1CC[C@@H](n2nc(-c3cccs3)ccc2=O)[C@H](C)C1 19583441 LXNKVZOOFFIRTA-CXAGYDPISA-N 397.504 2.737 0 40 GFAB CCn1c(C)nc2cc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)ccc21 19656478 BAZAFFWPNNTRCB-QGZVFWFLSA-N 397.479 2.946 0 40 GFAB CC(C)c1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N(C)C)nn2cnnc12 19662767 JRFVVKNNTUFTGU-KRWDZBQOSA-N 386.887 2.934 0 40 GFAB Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 19706454 DPBNNPFAFAHYTG-HNNXBMFYSA-N 386.500 2.553 0 40 GFAB CC(=O)N(C)Cc1cc(C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)nn1C 19710192 KRYAGJGYOCFVKD-INIZCTEOSA-N 382.508 2.908 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)NCCc2cn(C)c3ccc(F)cc23)n[nH]1 19718772 AUKUUEYIHOAXNA-UHFFFAOYSA-N 380.427 2.722 0 40 GFAB COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 5665654 ZGLXUQQMLLIKAN-SMHULIPUSA-N 398.411 2.918 0 40 GFAB biogenic,in-vitro O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCN(C2CCC2)CC1 238946272 WLRSSBYJWIBPHO-UHFFFAOYSA-N 379.888 2.603 0 40 GFAB Cc1ccc(CC(=O)N2CCC[C@@H](c3cc(O)nc(-c4cnccn4)n3)C2)cc1 13227041 MGKUPUQOLMTVFE-QGZVFWFLSA-N 389.459 2.896 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ccc(C3CC3)nn2)CC1 585149930 CRQFTQGOFBYZCQ-UHFFFAOYSA-N 380.448 2.980 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 5313159 IFXMFBIYBSJMGP-YWZLYKJASA-N 389.521 2.704 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@H]2COc3ccccc3C2)cc1OC 13257269 WFVOYHYASFCENQ-CVEARBPZSA-N 385.416 2.587 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)n(C)n1 1888897115 DQUZPPLKFJHLEJ-CALCHBBNSA-N 392.507 2.868 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)ncn1 1148895449 BQDIHVNAULWWPG-UHFFFAOYSA-N 387.369 2.674 0 40 GFAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1 26101123 WARDHBADKTYKIV-CMDGGOBGSA-N 376.478 2.549 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(c2cnc3ccccc3n2)CC1 26135256 MQWOPNAVBASBIN-XNTDXEJSSA-N 380.473 2.753 0 40 GFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2ccccc2oc1=O 5075540 DRQSLFVQMVBILG-UHFFFAOYSA-N 384.413 2.585 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1 5075899 YODXKUUTRHFIAQ-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB O=c1c(=O)n2c(nn1Cc1ccc(C(F)(F)F)cc1)N(c1ccccc1)CC2 8848747 GGJNVPCYEBVBTA-UHFFFAOYSA-N 388.349 2.624 0 40 GFAB CCOc1ccccc1C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 12443449 KFOTWUUPUJJJEJ-UHFFFAOYSA-N 389.459 2.900 0 40 GFAB C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@]12CCN(CCN1CCCC1)C2=O 2055713307 XVWSTEXBEYMCSH-IIBYNOLFSA-N 389.927 2.746 0 40 GFAB O=C(NC1CCOCC1)N1CCc2nc3ncc(Br)cc3cc2C1 2298061981 JCKOHCHUSXAKJR-UHFFFAOYSA-N 391.269 2.639 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242533 LUOCDCGGMREYTB-WOZUAGRISA-N 390.491 2.907 0 40 GFAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cc(C)on2)c1 40066752 NUSBGTMXHVHFSY-NSHDSACASA-N 386.437 2.641 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1 31754202 UGKOKTUHXHXCIU-UHFFFAOYSA-N 380.466 2.980 0 40 GFAB CN(Cc1ccccc1)c1ccc2nnc(CCC(=O)N3CCCCC3)n2n1 32094531 CRYOEMKHGFUFQO-UHFFFAOYSA-N 378.480 2.706 0 40 GFAB CC(C)(C)C(=O)COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 101231426 GQKLAOLEABBPNI-KLJZDHPGSA-N 387.476 2.511 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 2662942 QINYPQLTDKIRIX-UHFFFAOYSA-N 382.416 2.926 0 40 GFAB Cn1nc(C(=O)NCc2cccc(F)c2)cc1C(=O)NCc1cccc(F)c1 2798368 MPFAPPXVZQDDDY-UHFFFAOYSA-N 384.386 2.558 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 1044768 AGUBCILTCYIYFT-UHFFFAOYSA-N 393.446 2.585 0 40 GFAB COc1cc2nc(C3CC3)n(NC(=O)c3ccc(F)cc3)c(=O)c2cc1OC 1365113 ZKHBECMTFMLSQW-UHFFFAOYSA-N 383.379 2.814 0 40 GFAB Cc1[nH]cnc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 78994979 MAKXUXZLCDJNOW-UHFFFAOYSA-N 388.424 2.588 0 40 GFAB COc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(OC)c1OC 3191972 QJRCIDLMVGONAS-INIZCTEOSA-N 398.415 2.619 0 40 GFAB Cc1ccccc1N(C)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818311 RXTRKQBLVCKZNG-UHFFFAOYSA-N 378.435 2.517 0 40 GFAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 7109265 PGIULXIHINLOCC-UHFFFAOYSA-N 375.494 2.638 0 40 GFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(Cl)cc1Cl 7939662 KSVXGXKXNQXGLT-FKFWPICOSA-N 384.215 2.673 0 40 GFAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1ccc(Br)cc1 22379307 RMGRUICOAJNPQX-JTQLQIEISA-N 399.266 2.551 0 40 GFAB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H]4CCCO4)cc3C2=O)cc1 8471888 YBQJURLBLFOONJ-KRWDZBQOSA-N 392.411 2.599 0 40 GFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 8917506 YUBWBGFTIPUPRL-UHFFFAOYSA-N 392.415 2.842 0 40 GFAB O=C1C[C@H](N(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CC2)C(=O)N1 104111114 ODNKNKPOVMMQHD-ZDUSSCGKSA-N 392.333 2.985 0 40 GFAB Cn1c(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc(Cl)c1Cl 47167773 YOAMLDHVFQPCRP-MRXNPFEDSA-N 381.219 2.639 0 40 GFAB C[C@@H]1C(=O)[C@@]23[C@H]4C[C@@H]5C(C)(C)CC[C@@H](O)[C@@]5(C)[C@H]2[C@@H](O)C[C@H]1[C@H]3OC(C)(C)O4 100359638 MDODVBXGWQIKBY-XZMNNGKFSA-N 392.536 2.916 0 40 GFAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCc1cccnc1 12325155 PGRDGUYSXHODKB-UHFFFAOYSA-N 391.456 2.528 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1nnc(-c2ccccc2)o1 23327775 GPLGNJCFOFSDDG-LLVKDONJSA-N 377.356 2.880 0 40 GFAB O=C(NCCCn1ccnc1)c1ccc(Cn2cc(Br)cn2)cc1 27969934 XLOGTMFOSRXYJH-UHFFFAOYSA-N 388.269 2.711 0 40 GFAB CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 26439003 ZZCPWDKJVGIXIG-IBGZPJMESA-N 395.486 2.874 0 40 GFAB CCC[C@H]1NC(=O)N(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1=O 24835486 ORVVFGYQMWSOMJ-DNVCBOLYSA-N 384.432 2.939 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 101578650 BQQVNSIEULXIPZ-WJWAULOUSA-N 388.508 2.609 0 40 GFAB O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 107148804 DIRZDXUOSTZEIU-BEFAXECRSA-N 375.419 2.969 0 40 GFAB CCSCc1ccc(C(=O)NC2CCN(CC(=O)NC(C)C)CC2)cc1 56796080 UFBSIYUXHAZPEU-UHFFFAOYSA-N 377.554 2.659 0 40 GFAB C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 56822564 GSWXCLXBASKANQ-QGZVFWFLSA-N 376.460 2.985 0 40 GFAB O=C1OC(=O)[C@@H]2[C@H]1[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 107645925 OEWIFPHHFRBCFH-KKUMJFAQSA-N 382.755 2.545 0 40 GFAB CCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(-c2cccc(F)c2)n1 57508251 OPCBOAWQIZHOFW-UHFFFAOYSA-N 395.390 2.979 0 40 GFAB CCOC(=O)CSc1nc(N)c(C(=O)Nc2ccc(N(C)C)cc2)s1 1831912 JFDCKLZOGNHPCU-UHFFFAOYSA-N 380.495 2.699 0 40 GFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1cccc2ncccc12 27080540 HGJRXXZJOVHJFZ-UHFFFAOYSA-N 394.456 2.768 0 40 GFAB CCCn1c(CN2CCC[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 57585084 OGDJZCPURVKHCS-HNNXBMFYSA-N 378.542 2.929 0 40 GFAB CC(C)=CC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 58245444 CJSQLGZSMNVEER-UHFFFAOYSA-N 376.453 2.887 0 40 GFAB CCCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 2179146 CBCNYGLXVIRUQH-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccco2)n2nnnc2N3)cc1 10296022 MEHPSTLNMSDDLY-MRXNPFEDSA-N 377.364 2.522 0 40 GFAB CC(C)C[C@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2312315 UANFAVUKWWTYKV-GOSISDBHSA-N 393.443 2.723 0 40 GFAB CC(C)(C)c1cc(NC(=O)/C=C/c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 12734856 VOQASDNSVNEIPU-YBJDMEARSA-N 377.466 2.785 0 40 GFAB CC(=O)Nc1cccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 45827222 LBLMSIONJZCONC-UHFFFAOYSA-N 378.432 2.765 0 40 GFAB CC(C)[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)N1CCOCC1 48325966 VYKFFYJLSNNNNR-NRFANRHFSA-N 383.492 2.747 0 40 GFAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 3480220 IMVMZBREKLQOBG-NSHDSACASA-N 386.791 2.506 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1 12982389 BDIUDZLJUWUPKD-OAHLLOKOSA-N 395.864 2.778 0 40 GFAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(S)nnnc4c23)CO1 18325231 ONGZSDAYUMKEST-UHFFFAOYSA-N 389.506 2.611 0 40 GFAB COc1cc(/C=C/C(=O)N[C@H](CC(=O)O)[C@H]2CCOC(C)(C)C2)ccc1O 4090735 ANWMARCYGUNBQT-SJKUQHEZSA-N 377.437 2.579 0 40 GFAB biogenic C[C@@H]1Oc2ccccc2N(CCC(=O)NC(C)(C)c2ccc3c(c2)OCO3)C1=O 64314100 GFFIVJRITFGQDN-AWEZNQCLSA-N 396.443 2.971 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 4158634 OESWZKKSSARNOZ-QGZVFWFLSA-N 379.503 2.686 0 40 GFAB COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2)N2CCCC2)cc1 8987386 ZDRBTMDWFIDSOF-NRFANRHFSA-N 395.503 2.768 0 40 GFAB Cc1ccc(C2=NN(C(=O)CN3CCCC[C@H]3C(N)=O)[C@@H](c3ccco3)C2)cc1 14077869 YQECAZIRRDZSKJ-RBUKOAKNSA-N 394.475 2.606 0 40 GFAB CCc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 9112061 YGKSZLIJAYBRSX-INIZCTEOSA-N 377.466 2.646 0 40 GFAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 14201771 FTLDDFOAYJCTKW-UHFFFAOYSA-N 383.448 2.565 0 40 GFAB Cc1cccc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 5435784 WZRFAWLULJHDHP-UHFFFAOYSA-N 398.484 2.899 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1OC 6649515 ZPFKYFRAHHYYCH-UHFFFAOYSA-N 376.360 2.582 0 40 GFAB O=C(CN1CCC(Cc2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1 5825101 TVAARAIZZLXJEB-UHFFFAOYSA-N 383.467 2.835 0 40 GFAB CCN1CCN(C(=O)[C@H](C)N2CC=C(c3cncc4ccccc34)CC2)CC1 96012875 WPTQKTNCUOCAHO-SFHVURJKSA-N 378.520 2.877 0 40 GFAB Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(C(=O)O)cc1 4994668 CVVNLECKZRYEIZ-UHFFFAOYSA-N 383.433 2.708 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccccc2)c1 4985841 GKSBAVFCKAOMAN-SFHVURJKSA-N 392.419 2.618 0 40 GFAB O=C([C@@H]1CSCN1C(=O)c1ccc(OC2CCCC2)nc1)N1CCCC1 96005676 BDYAYNDSBHQELI-INIZCTEOSA-N 375.494 2.541 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 7957338 TXMLNOLHALXZDD-XJKSGUPXSA-N 387.509 2.854 0 40 GFAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1cccnc1 8346032 MVBJCNBEPOHVCK-AWEZNQCLSA-N 386.477 2.917 0 40 GFAB Cc1cc(NCc2c(C(C)C)nn(C)c2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 84102077 VUXIMBQMZMIBGP-GFCCVEGCSA-N 385.921 2.674 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2ccc3c(c2)CCC3)c1 9904294 SUPMPDXHOXKUIN-UHFFFAOYSA-N 379.460 2.892 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 68933352 AAKMOKSZZOIKJH-CYBMUJFWSA-N 381.407 2.710 0 40 GFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H](c1ccccc1F)N1CCOCC1 89813187 XIAHHWPOEHYICU-OAQYLSRUSA-N 397.450 2.965 0 40 GFAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 306130329 JCSLSIUEWSFNRL-UHFFFAOYSA-N 383.477 2.677 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 409171271 ZSOCABYQXAQICU-UHFFFAOYSA-N 383.477 2.849 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)C1(c2ccc(F)cc2)CCC1 32907179 PLDMNSBWUOZMFA-UHFFFAOYSA-N 385.391 2.756 0 40 GFAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCn3nccc3C)c12 36616579 ZAEWJPCYFIAYND-UHFFFAOYSA-N 380.477 2.940 0 40 GFAB Cc1cc2c(o1)c1cnn(CC(=O)NCCc3ccco3)c(=O)c1n2C(C)C 72335361 QYVGNCUGBGYUFW-UHFFFAOYSA-N 382.420 2.785 0 40 GFAB CN(C)C(=O)c1ccc(CNC(=O)c2cnc(Oc3ccccc3)cn2)cc1 536897340 PJAREOFXHSGQGH-UHFFFAOYSA-N 376.416 2.901 0 40 GFAB CCCn1cc([C@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)cn1 71785021 WPUGFHSAHUMSNN-CQSZACIVSA-N 397.460 2.786 0 40 GFAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339059 PTNGMKDWGZALSA-PSHPWPFNSA-N 399.535 2.789 0 40 GFAB NCC1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218473953 KVUJHVCOAZYBNB-HZPDHXFCSA-N 385.316 2.837 0 40 GFAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218619934 AFJSLWNNGFFMOD-RYRKJORJSA-N 379.865 2.618 0 40 GFAB CC(C)(C)c1csc(CCNC(=O)CCN2C(=O)CC3(CCCC3)C2=O)n1 79494098 WQLJTFNKUXXKTB-UHFFFAOYSA-N 391.537 2.809 0 40 GFAB C[C@H]1C[C@H](NC(=O)Cc2noc3ccc(F)cc23)c2ccsc2S1(=O)=O 563516875 WZANPDWTDOOJKS-ZANVPECISA-N 394.449 2.994 0 40 GFAB COc1ccccc1-c1c2c(=O)n(Cc3cccnc3)ccc2nc2nc(C)nn12 40398457 WSARQYGVXBZMSN-UHFFFAOYSA-N 398.426 2.867 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223254699 WHJNHCBANGPUCN-UXHICEINSA-N 392.532 2.801 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCOc1ccc(Cl)cc1 224076145 JQOYHXSZAIVJGB-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1ccccc1F)S(C)(=O)=O 225056191 LGCCNJOCECQPDR-ZDUSSCGKSA-N 388.530 2.772 0 40 GFAB O=C(N[C@@H]1Cc2ccccc2NC1=O)c1ccccc1COC1CCOCC1 529946552 DXBZSWYZLITRES-HXUWFJFHSA-N 380.444 2.675 0 40 GFAB C[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(F)cc1 224738005 WVXPTUQKECHBOR-CYBMUJFWSA-N 382.432 2.604 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2ccccc2C)cc1)S(C)(=O)=O 224217155 MVIQXYDXJWPQCJ-UHFFFAOYSA-N 376.478 2.590 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)NCC1(c2ccc(F)cc2)CCCC1 48332965 MNQZBWMCTRSRFS-UHFFFAOYSA-N 394.450 2.949 0 40 GFAB Cc1c(Cl)cccc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 223681010 PAKMNVSGWXYEML-UHFFFAOYSA-N 398.887 2.912 0 40 GFAB COc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225951342 JLZIWXBMRHSMHC-HNNXBMFYSA-N 382.869 2.968 0 40 GFAB Cn1nc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)c2ccccc21 225764404 QTMWVZCWRPGWGN-UHFFFAOYSA-N 389.444 2.670 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227364 JQOXMEUSFHSOFP-UGKGYDQZSA-N 396.466 2.801 0 40 GFAB CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242547877 KXIVXQSPCJRQCT-PWRODBHTSA-N 389.517 2.925 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)Cn2c(C(C)C)nc3ccccc32)[C@H]1O 257308031 TVDHAZNUKLNBBF-SFHLNBCPSA-N 395.507 2.888 0 40 GFAB O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nc(-c3cccc(Cl)c3)nn12 254440467 QKSWCFVAUHOPGE-UHFFFAOYSA-N 384.804 2.927 0 40 GFAB COc1cc(/C=C/C(=O)NC[C@@]2(O)CCc3ccccc3C2)cc(OC)c1OC 90611509 WOSNVARJBJMRGZ-UPWIVDSGSA-N 397.471 2.762 0 40 GFAB NC(=O)c1ccc(CN2CCN(C(=O)c3cc(C(F)F)ccc3F)CC2)cc1 621589869 HGYCVPAFFPOTLD-UHFFFAOYSA-N 391.393 2.820 0 40 GFAB COC(=O)[C@@H](CNC(=O)[C@]1(c2ccccc2)CCCO1)Oc1ccc(F)cc1 1137961259 YYJLLYAXZRCTLK-WIYYLYMNSA-N 387.407 2.568 0 40 GFAB O=C(N[C@]12CCC[C@H]1N(c1ccc(C(F)(F)F)nn1)CC2)[C@@H]1CCCOCC1 1615611423 LPPIPPHOPLGKKZ-SIIHOXLZSA-N 398.429 2.930 0 40 GFAB COc1cccc2c1OC[C@H](NC(=O)Nc1ccn(-c3ncccc3F)n1)C2 677638949 CRBCYFDDQNASHW-CYBMUJFWSA-N 383.383 2.540 0 40 GFAB CC1(C)CO[C@H](c2cccc(F)c2)CN1S(=O)(=O)c1cc(Cl)cnc1N 657169936 RPTMCBITVBVQOD-AWEZNQCLSA-N 399.875 2.997 0 40 GFAB COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@H]12 585109796 VDCVYPRRYNTXRO-JAXLGGSGSA-N 384.451 2.737 0 40 GFAB NC(=O)[C@@H]1CC[C@H](C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)O1 585123820 ARMJHFDYYGTWIR-ZMSDIMECSA-N 390.892 2.909 0 40 GFAB O=S(=O)(N[C@@H]1CCC[C@H]1Cc1ccccn1)c1ncccc1Br 585091994 ZZSISIIOKGXZJM-SWLSCSKDSA-N 396.310 2.929 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1O 72392914 BXZVUYAAYSJJJW-KRWDZBQOSA-N 392.459 2.926 0 40 GFAB CC1(C)C[C@@H]2CN(C(=O)COc3ncccn3)CC[C@@H]2N1c1cccc(F)c1 1615158396 QHMIYTBLXUVXKN-QAPCUYQASA-N 384.455 2.901 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)N2CCCC2)c1 11613368 SGBZAEBNCOVLHP-HNNXBMFYSA-N 395.488 2.550 0 40 GFAB COc1ccccc1[C@@]1(O)CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 12147525 NVFVCQNMUCTGFR-OAQYLSRUSA-N 378.432 2.604 0 40 GFAB CCOC(=O)C1=NO[C@H](c2cc3c(c(OC)c2Br)OCO3)[C@@H]1C 12412887 ODWJTUZFEIWPAS-KRTXAFLBSA-N 386.198 2.813 0 40 GFAB COc1ccc(CCNC(=O)CCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1OC 12468393 GXOROZWVWQYPEO-IYBDPMFKSA-N 376.497 2.647 0 40 GFAB Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C 19237763 OKXNZUUNMLNIJS-OAQYLSRUSA-N 394.519 2.518 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)[C@H](C)N3C(=O)[C@@H](C)Oc4ccccc43)cc2NC1=O 19462086 QQRXAMPKSVNRPE-RWMBFGLXSA-N 395.415 2.547 0 40 GFAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 19575300 SXYSQLFCCAYPMQ-NSISKUIASA-N 389.927 2.860 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)nc2c1CCC(=O)N2C 19696319 RXVQYYHIFQBAPY-KRWDZBQOSA-N 378.476 2.643 0 40 GFAB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1OCC 6355070 TXGNJYHSUMOXNU-XKZIYDEJSA-N 398.415 2.877 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccccc4F)C[C@H]32)c(OC)n1 247839867 KLYXFBQXSRRBAX-AVBTWRTFSA-N 387.455 2.753 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccccc2o1 4895584 MXAZVSXKONMOKL-UHFFFAOYSA-N 393.443 2.980 0 40 GFAB COC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)o2)n1 13988429 SFOKWVJGDIZTND-UHFFFAOYSA-N 394.434 2.541 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC1=NS(=O)(=O)c2ccccc21 10283986 ICBBAHDKIKGLIP-UHFFFAOYSA-N 380.473 2.787 0 40 GFAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc2c(c1)OCO2 22772522 TUKVNTUYYZLMQV-UHFFFAOYSA-N 393.896 2.887 0 40 GFAB O=C(c1ccncc1F)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775996098 UUVCDDLHZDYIAM-LLVKDONJSA-N 395.232 2.704 0 40 GFAB CCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)n1-n1cccc1 4518519 CYJHYVGAPOQHIN-UHFFFAOYSA-N 387.465 2.701 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)COc2cccc3c2OC(C)(C)C3)n1 7453706 PKERGJQXBIZKIP-UHFFFAOYSA-N 390.461 2.980 0 40 GFAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1C 9660974 AOFPOLZMWIWXMZ-UHFFFAOYSA-N 383.473 2.506 0 40 GFAB Cc1cccc(S(=O)(=O)NCCOc2ccc(-c3cccs3)nn2)c1 9853581 LPNMNJVEICYKOR-UHFFFAOYSA-N 375.475 2.871 0 40 GFAB COCCNC(=O)Cc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1 38489920 FHFYIQWOWIFVMT-UHFFFAOYSA-N 387.436 2.653 0 40 GFAB Cc1ccc(NC(=O)CN2CC(c3nc(-c4ncccn4)no3)C2)cc1Cl 49483110 NMWJYUWAAXYAGF-UHFFFAOYSA-N 384.827 2.526 0 40 GFAB COc1cccc2cc(C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)oc12 49482814 DVPYIDPIRMHRPC-UHFFFAOYSA-N 377.360 2.521 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618990 YQGJUVDVAHGHDW-AWEZNQCLSA-N 391.456 2.879 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)CCc2ccccc2)cc1F 62021485 WOKFMYIIHVFBHH-IBGZPJMESA-N 381.469 2.887 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccccc1F)C2=O 39985689 KSQOIXHPFDLCQB-FXUPRZHBSA-N 378.444 2.594 0 40 GFAB Cn1nc2c(cc1=O)C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2 238876750 OFYHNELCYYJUMR-QGZVFWFLSA-N 385.895 2.919 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccsc1 30061257 WQUPDCBSSXIOTO-UHFFFAOYSA-N 378.519 2.910 0 40 GFAB C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 40067190 BYDUQAJMGCPCGE-GXTWGEPZSA-N 396.559 2.735 0 40 GFAB Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(C)c1Cl 40146573 UNPVJLWXLUXCAF-UHFFFAOYSA-N 398.916 2.869 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NCCCCN3C[C@@H](C)C[C@H](C)C3)cnc12 40146752 ZAKCWKPETFVHKF-IRXDYDNUSA-N 384.524 2.579 0 40 GFAB COc1ccc(CCN(C)C(=O)[C@@H](C)NC(=O)c2cccs2)cc1OC 30866017 DFZYOBZGYPNDKF-CYBMUJFWSA-N 376.478 2.585 0 40 GFAB COC(=O)c1cnc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)s1 32843452 YZRVTVPAAKQSOT-CYBMUJFWSA-N 397.403 2.601 0 40 GFAB C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N1CCOCC1 21738045 NNVAJGWYWDMTQB-NSHDSACASA-N 382.486 2.629 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@@H](c1cccs1)N1CCCC1 52840124 YHNNMVPFLGBTHY-INIZCTEOSA-N 398.488 2.518 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)CN2C(=O)COc3ccccc32)cc1 21904315 RKUNASPEPWGGOG-UHFFFAOYSA-N 382.460 2.905 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3=NCCS3)cc2)c1C 6548480 UDWUOKXWFIQUTP-UHFFFAOYSA-N 389.502 2.937 0 40 GFAB Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8053303 LPLCBWSRJQJQHK-KRWDZBQOSA-N 390.480 2.851 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)NC2CCCCC2)c(=O)[nH]c1=O 8429353 YKRWXTBSGWTEDH-UHFFFAOYSA-N 393.532 2.814 0 40 GFAB CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12541973 IJEMOLQJNPZYBG-UHFFFAOYSA-N 376.434 2.997 0 40 GFAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCc1ccc(F)cc1 22772649 MVFQVLZDHPMZHV-UHFFFAOYSA-N 381.904 2.975 0 40 GFAB CC(C)CN1CCO[C@H](CNC(=O)c2ccc(OCc3cccnc3)cc2)C1 23114378 IJMCZQGVWTXGAS-OAQYLSRUSA-N 383.492 2.747 0 40 GFAB CN(C)c1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 12598006 OZXVUCUUDBPLKU-UHFFFAOYSA-N 397.504 2.822 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccco3)ccc2N1 12528085 XERBFMWSQPUWKO-UHFFFAOYSA-N 397.456 2.950 0 40 GFAB COc1ccccc1OCCNC(=O)Nc1cc(OC)c(OC)c(OC)c1 9874105 QCUYWCKUGGDMBR-UHFFFAOYSA-N 376.409 2.922 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23731028 GVEZMDCCCLNDLF-UHFFFAOYSA-N 395.507 2.821 0 40 GFAB Cc1ccc(CCC2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)CC2)cc1 47933028 XSQKUNPMAAAZSL-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O 20036208 AOFVPZJYCSIVSR-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC(=S)N2CCCC[C@H]2C)cc1 3262431 MTGREGDVANIKQR-CQSZACIVSA-N 397.566 2.606 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 24809400 OBKPHLGCTGVFKP-UHFFFAOYSA-N 395.429 2.732 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)[C@H](C)OC[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 106530231 KUKNUCIRXHTCAJ-IVSAIRAKSA-N 380.460 2.962 0 40 GFAB Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl 1437241 JGTFKFWQEYNBER-UHFFFAOYSA-N 387.292 2.740 0 40 GFAB CCc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(OC)c3)CC2)cc1 1421224 OUWJTOBCGZJYFQ-UHFFFAOYSA-N 378.469 2.908 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)CNC(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 25407853 YFLYCRUYPJHDOS-CALCHBBNSA-N 397.519 2.574 0 40 GFAB Cc1cccc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)n1 56009931 UXSQNYLSOFFJEY-UHFFFAOYSA-N 383.267 2.706 0 40 GFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 107933989 ADKHNAQRRPSDGO-UHFFFAOYSA-N 392.477 2.708 0 40 GFAB NC(=O)N[C@@H](CC(=O)NCCCn1cnc2ccccc21)c1ccccc1Cl 12797362 JYJAKEQXPTWYFE-KRWDZBQOSA-N 399.882 2.996 0 40 GFAB O=C(O)c1ccc(CN2C(=O)S[C@@H](Nc3ccccc3C(=O)O)C2=O)cc1 2231417 LNQKDBPDTQLLRV-CQSZACIVSA-N 386.385 2.717 0 40 GFAB COc1cc(CNCCNCCO)ccc1OCc1c(F)cccc1Cl 22074897 PBPQOQJOSBMTHP-UHFFFAOYSA-N 382.863 2.738 0 40 GFAB O=C(O)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 12806031 XVGJSHWOMCBPLD-CYBMUJFWSA-N 392.502 2.994 0 40 GFAB CC(=O)[C@@H](NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)C(C)C 29028540 HGORRCJJWXZFRE-SFHVURJKSA-N 385.430 2.557 0 40 GFAB O=C(COC(=O)CSCc1ccc(F)cc1)NC(=O)NCc1cccs1 13010996 FKQWVNZRIBAFQQ-UHFFFAOYSA-N 396.465 2.690 0 40 GFAB O=C(Cc1ccc(Cl)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1 18221016 JTYXDHMXWYULDI-UHFFFAOYSA-N 390.842 2.914 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 6052152 RPEMJERXWCIMSU-NHCUHLMSSA-N 398.528 2.957 0 40 GFAB CCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1 5033787 ATNFFUXZSQADKP-JTQLQIEISA-N 389.510 2.758 0 40 GFAB CCOc1cc(CN[C@H](CC)CO)ccc1Oc1nnnn1-c1ccccc1 13729600 WYVPVIDXGYPNAL-MRXNPFEDSA-N 383.452 2.714 0 40 GFAB COc1cccc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)c1 65250864 APEYGASLNAWFHQ-UHFFFAOYSA-N 390.403 2.564 0 40 GFAB COC(=O)c1cccc(N/C(C)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 9014140 IMDXXMQFXRHFMT-LGMDPLHJSA-N 393.399 2.751 0 40 GFAB NC(=O)CCN(C(=O)COC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 14244292 GXIPKCLGDNTSRZ-UHFFFAOYSA-N 394.471 2.950 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@@H]1CCSc2ccc(Cl)cc21 14241558 QNEGFKYDVXHOJW-VNHYZAJKSA-N 390.892 2.944 0 40 GFAB CCC[C@H](C)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 6593635 TXSHXXJTYJTAJS-YOEHRIQHSA-N 388.464 2.545 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(OC)c1 5516125 QMTPYQCQLBVMJJ-UHFFFAOYSA-N 398.506 2.527 0 40 GFAB CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 5613889 ZHYQBEIZWJHOKP-IBGZPJMESA-N 390.480 2.852 0 40 GFAB O=C(O)C[C@@]1(C(=O)NCc2ccccc2)CC(C2=Cc3ccccc3OC2)=NO1 6754781 MTMUBYNLZMGYEN-JOCHJYFZSA-N 392.411 2.769 0 40 GFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CNC(=O)c1ccc2ccccc2c1 6880826 RQIGYAHLMXTLMA-UHFFFAOYSA-N 393.418 2.806 0 40 GFAB Cc1cccnc1-n1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O 5922371 LKFCENZNBXMURI-UHFFFAOYSA-N 380.473 2.804 0 40 GFAB Cc1ccccc1CS(=O)(=O)c1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1 15998877 ZCKJTWDHRSBEEE-GFCCVEGCSA-N 381.454 2.938 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2sccc2C)cc1 7898249 PCTDNSOTBTZJLB-CQSZACIVSA-N 396.534 2.642 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2S(C)(=O)=O)c(C)c1 7856588 FITOJMVZIQUCBL-AWEZNQCLSA-N 375.446 2.891 0 40 GFAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 7878543 GXHPNZAYGHMLPN-SNVBAGLBSA-N 375.519 2.955 0 40 GFAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7837771 GJFUBJDWXLFDHD-HKUYNNGSSA-N 394.471 2.904 0 40 GFAB COc1ccc2c(C)c(CC(=O)Nc3ccc(CCO)cc3)c(=O)oc2c1OC 8490984 ZTYFZVYJAWDBBS-UHFFFAOYSA-N 397.427 2.835 0 40 GFAB biogenic Cc1ccc(C)n1-c1nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2s1 9483582 XGSHSUNZQRUTAY-CQSZACIVSA-N 389.502 2.621 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 18048672 DSBNBHFTNXEOAP-INIZCTEOSA-N 392.459 2.878 0 40 GFAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 71817315 UWIFNVDOKZECJC-UHFFFAOYSA-N 394.855 2.786 0 40 GFAB COC(=O)c1ccc(CN(C)Cn2nnn(Cc3cccs3)c2=S)cc1 95349860 XRGJBRZELIQFTK-UHFFFAOYSA-N 389.506 2.795 0 40 GFAB COC[C@@H](C)N1CCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)N(C)C)CC1 84640356 RJVOQGMGTOYNBQ-DYVFJYSZSA-N 388.339 2.775 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)nc(N2CCOCC2)n1 95944119 RNVFICWDTUGSAB-UHFFFAOYSA-N 396.538 2.781 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 9905359 VTUHXYYHAGYZOH-UHFFFAOYSA-N 392.459 2.765 0 40 GFAB Cc1cc(C)n(CCN2CCN(C(=O)c3ccccc3Br)CC2)n1 62022056 JLJLVWXOJDAROP-UHFFFAOYSA-N 391.313 2.720 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(F)cc2)N2CCC[C@H]32)cc1 35877100 QGOXTTHFVIUWDE-WTGUMLROSA-N 392.430 2.969 0 40 GFAB Cc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)c2c(C)c(C)c(=O)oc2c1 11866805 AKXRNVFUVPUWII-AWEZNQCLSA-N 375.421 2.713 0 40 GFAB biogenic CCC(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 516069537 UOQDMVXOYREFHR-LBPRGKRZSA-N 375.450 2.797 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3ccn(CCc4ccccc4)n3)cn2)CC1 567188076 YWOYWQJTSWZJMB-UHFFFAOYSA-N 390.491 2.525 0 40 GFAB CCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 72350635 JCRHBNHCNWTDNX-QGZVFWFLSA-N 376.464 2.568 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1cccc2ccccc12 70636068 SVKYULAUFXGUAR-FQEVSTJZSA-N 383.469 2.853 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1 36353285 UYSOYTMKDAZVKC-UHFFFAOYSA-N 383.433 2.642 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220452359 SKUJOWMBTIJVNO-NSHDSACASA-N 396.415 2.961 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCC3=CCCCC3)s2)c1 225101885 CNVVNEWAXOSLNX-UHFFFAOYSA-N 392.506 2.878 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 224377406 CAVJCZLDLBEYHM-AWEZNQCLSA-N 386.473 2.661 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223607354 ALMUQAHYZXNWPE-RTBURBONSA-N 379.489 2.622 0 40 GFAB COc1ccc2nnc(CCCC(=O)N3CCCC[C@@H]3c3cccnc3)n2n1 225420080 CAYXCOVPHOXBGH-MRXNPFEDSA-N 380.452 2.604 0 40 GFAB biogenic C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCN(c2ccccn2)CC1 225433651 RYADOHPGIDQZAD-AWEZNQCLSA-N 396.422 2.891 0 40 GFAB biogenic,in-vitro COc1cc(CN2CCN(C(=S)NC3CCCC3)CC2)cc(OC)c1OC 225224328 JGIQSGPOBBXAHZ-UHFFFAOYSA-N 393.553 2.647 0 40 GFAB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 220313281 LIMHLBQPOVBIBD-AWEZNQCLSA-N 396.459 2.868 0 40 GFAB COc1cc(/C=C(\Sc2nc(C)n[nH]2)C(=O)O)cc(Br)c1O 96868634 ULBWTQCWZBBKSQ-YHYXMXQVSA-N 386.227 2.808 0 40 GFAB O=C1NCCN(C(=O)c2c[nH]c3ncccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 534033319 IEMBKUASKXAENB-OAHLLOKOSA-N 388.349 2.895 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)NCCN4CCCCC4)[C@@H]31)O2 248338217 RCBWNGNACAEJIX-QSABTFIQSA-N 382.504 2.957 0 40 GFAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)Cc2cccnc2)C1 257288896 PWDHHHDSMHGZJL-KRWDZBQOSA-N 377.448 2.777 0 40 GFAB CC(C)n1c([C@@H]2CCCN(C(=O)COCc3ncnn3C)C2)nc2ccccc21 585083024 ITBLBCNRRNYRIQ-MRXNPFEDSA-N 396.495 2.669 0 40 GFAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(CCc2cnccn2)CC1 634513076 GOEVROJCCZDNLE-UHFFFAOYSA-N 379.291 2.713 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(-c2noc(Cc3cscn3)n2)cc1 664811906 VDBVMWBUKNHHER-UHFFFAOYSA-N 378.479 2.718 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183613 NOGDNNDHEHPHPF-IBGZPJMESA-N 397.494 2.691 0 40 GFAB Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCC(C)CC4)CC3)n2)n1 49411623 ISBHJHWGULJPSQ-UHFFFAOYSA-N 382.512 2.754 0 40 GFAB Cn1cc([C@H]2CN([C@@H](C(=O)O)c3ccc(Br)cc3F)CCO2)cn1 563541600 NCMHRSQIYUIUAP-HUUCEWRRSA-N 398.232 2.521 0 40 GFAB CN(C(=O)c1ccc(Cn2cccn2)o1)c1nc2c(s1)CCc1c-2cnn1C 12146143 AVGIBUDWCROCLM-UHFFFAOYSA-N 394.460 2.757 0 40 GFAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C2CC2)cc1 13571178 TYJCLJOYFNRMFR-UHFFFAOYSA-N 377.444 2.913 0 40 GFAB CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 16638500 ITURCYGRJOUBGN-UHFFFAOYSA-N 391.331 2.766 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N/C(=C/C=C/c3ccccc3)C2=O)cc1 16778969 SYWQBASVJYIOCZ-HYZSBJHASA-N 377.400 2.783 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)COc3ccccc3)ncc2C1 19018209 LYDKSEVWUBISJG-HXUWFJFHSA-N 394.475 2.514 0 40 GFAB CC(C)(CN1CCOCC1)NC(=O)c1cc(-c2cccnc2)c2cnccc2n1 19084982 LVQQAIHNDYXAQN-UHFFFAOYSA-N 391.475 2.532 0 40 GFAB COCCC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 19235468 VLECMCRBQLCDCQ-QHCPKHFHSA-N 380.488 2.945 0 40 GFAB COc1c(C)cccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19235831 CLWOUHQWJJYUBK-MRXNPFEDSA-N 380.492 2.801 0 40 GFAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(=O)[nH]c(N2CCCC2)n1 19292820 KSUPHDXITJTIJO-UHFFFAOYSA-N 381.263 2.536 0 40 GFAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)c1cc2ccccc2o1 19376277 YHGFJABBENLTRT-HNNXBMFYSA-N 375.432 2.684 0 40 GFAB Cc1nnnn1-c1cccc(C(=O)NCCc2cn(C)c3ccc(F)cc23)c1 19662372 ZJNVJHGKRGGBPS-UHFFFAOYSA-N 378.411 2.574 0 40 GFAB CC(C)Oc1cc(CCC(=O)N2CCC[C@H]2c2cc(CN(C)C)n[nH]2)on1 19709003 GMLNWAKYTMVOPD-KRWDZBQOSA-N 375.473 2.543 0 40 GFAB CC1CCN(S(=O)(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)CC1 19719816 KOCSXEHMGKNMBB-MRXNPFEDSA-N 376.526 2.794 0 40 GFAB Cc1c(C(=O)N2CCC(O)(Cn3ccnc3C)CC2)oc2c1C(=O)CC(C)(C)C2 12143546 VRDJPTNILOTBPM-UHFFFAOYSA-N 399.491 2.915 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13266018 KHWAOLPGHJOMTM-OAHLLOKOSA-N 393.422 2.727 0 40 GFAB CN1CCO[C@H]([C@H](NC(=O)NC[C@@H]2CCOC2(C)C)c2ccc(Cl)cc2)C1 664562271 PFPORUFYZXTKNH-RYQLBKOJSA-N 395.931 2.826 0 40 GFAB CCOc1ncccc1C(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@H]2C1 1888919562 PBKUDKWZGPOOHB-HZPDHXFCSA-N 391.475 2.575 0 40 GFAB Cc1noc(C)c1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984977 UDLNSOPLMIQQJE-OAQYLSRUSA-N 383.448 2.720 0 40 GFAB COC(=O)C1(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)CCCC1 253471528 DASBXZVYGXRIQT-UHFFFAOYSA-N 382.844 2.508 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1 3660412 JFAYYCZVJMFGRZ-UHFFFAOYSA-N 392.481 2.838 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cccc(N2CCCC2=O)c1 10220967 FVBYOACMPDUSDM-UHFFFAOYSA-N 390.443 2.592 0 40 GFAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(N3C(=O)CCC3=O)cc1)n2C 12139820 SPUQCKHOXBHQMQ-QZQOTICOSA-N 395.440 2.643 0 40 GFAB COCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OC)c(OC)c2)cs1 12442237 HLXBMGOOXOWNML-UHFFFAOYSA-N 388.449 2.906 0 40 GFAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705919 OEXHUCUBAXYRGU-UHFFFAOYSA-N 386.459 2.911 0 40 GFAB Cc1ccc(NC(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)cc1Cl 575607865 QNTBAHRMRKCNCP-UHFFFAOYSA-N 389.891 2.821 0 40 GFAB COc1cc(Br)c(CCNC(=O)c2cc(C(C)=O)c[nH]2)cc1OC 10456317 VYRNSOFYVJVIAV-UHFFFAOYSA-N 395.253 2.970 0 40 GFAB CN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)[C@@H]1CCS(=O)(=O)C1 40086560 IKJXIDRGAJNWHQ-MRXNPFEDSA-N 387.505 2.536 0 40 GFAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)NCC)cc2)c1 40150118 ZMFKMLHKHSKSRU-UHFFFAOYSA-N 389.477 2.840 0 40 GFAB Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1C 2627741 QBAGMXCAJNOJTQ-UHFFFAOYSA-N 396.472 2.928 0 40 GFAB O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 793031 OZHSTBAQSVKRKV-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB Cc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 919796 VUHYPYPKZNBIOT-UHFFFAOYSA-N 378.461 2.892 0 40 GFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 8751822 FUZFDTLPEBWPSW-IBGZPJMESA-N 397.544 2.991 0 40 GFAB CC(C)[C@@H](CN1CCOCC1)NC(=O)/C=C/c1ccc(Br)s1 79071115 KCDQLUUXOVJGBF-YVARQFDVSA-N 387.343 2.997 0 40 GFAB COCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 4454427 GWLSNCGQFHVWQS-UHFFFAOYSA-N 383.473 2.631 0 40 GFAB COc1ccccc1C1(CNC(=O)c2cnc3n(c2=O)CCS3)CCCC1 53270928 JQQKUQSGUARFEA-UHFFFAOYSA-N 385.489 2.599 0 40 GFAB C[C@H]1CCCN(C(C)(C)CNC(=O)CN2C(=O)CSc3ccccc32)C1 53392136 FPKZLIDFRCDSJA-HNNXBMFYSA-N 375.538 2.752 0 40 GFAB COc1ccc(CN2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1F 22916558 ODIGDZLZXOFLPZ-HNNXBMFYSA-N 396.466 2.950 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)cc1C 23109816 ISVFGTHBHXUKJR-UHFFFAOYSA-N 384.505 2.617 0 40 GFAB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@@H](C)O1 100135253 ATDHLXQROIJYSZ-INMHGKMJSA-N 398.551 2.878 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)CC1 102241946 REXWDSQOZFSUNO-HNNXBMFYSA-N 399.274 2.900 0 40 GFAB CCC[C@H](c1nnnn1CCOC)N1CCN(c2cc(Cl)ccc2C)CC1 57670014 PDDYNICXSSVTRZ-QGZVFWFLSA-N 392.935 2.945 0 40 GFAB CC(C)Cn1c(SCc2ccc(C(=O)O)cc2)nnc1N1CCOCC1 9500846 CALJSDGEMCALLN-UHFFFAOYSA-N 376.482 2.761 0 40 GFAB O=c1n(CCN(Cc2ccc3c(c2)OCO3)C2CCCC2)nc2ccccn12 26910792 GSPUWFRPQHGZOB-UHFFFAOYSA-N 380.448 2.670 0 40 GFAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1Cl 19819784 BJJSEJZSFOARTG-KRWDZBQOSA-N 388.851 2.872 0 40 GFAB Cc1cc(C(=O)Nc2ccn(CCc3ccncc3)n2)c2c(C)nn(C)c2n1 58245365 RPPHVNQOXBEBGK-UHFFFAOYSA-N 375.436 2.672 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 2132793 UGDAZYNWOJHMFO-RRUGBERISA-N 375.421 2.573 0 40 GFAB biogenic CCOCc1c(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)oc2ccccc12 10926503 URGVOUVKFLUQPL-UHFFFAOYSA-N 379.372 2.751 0 40 GFAB CCCc1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc12 12848166 FTRNTSPUZGKVTK-UHFFFAOYSA-N 398.415 2.516 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 45833995 MJDIHDOBNQTJOK-VBKZILBWSA-N 398.434 2.775 0 40 GFAB O=S(=O)(CCN1CCN(c2ccccc2O)CC1)c1ccc(Cl)cc1 29630860 AUJQFPRIFYXCBB-UHFFFAOYSA-N 380.897 2.642 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)NC)cc1)O[C@H](C)C2 12924743 GCKKGCXVJLXEBX-GFCCVEGCSA-N 390.461 2.569 0 40 GFAB Cc1ccc2c(ccn2CCNC(=O)Cn2nc3c(cc2=O)CCCCC3)c1 96345253 ZYVGZPYVLYLHPY-UHFFFAOYSA-N 378.476 2.592 0 40 GFAB C[C@@H](NC(=O)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2)c1ccccc1 13731680 VJPKFAHSKASGTD-GDBMZVCRSA-N 387.505 2.613 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1)N1CCCCCC1 408593650 MYVLJZAGRJHAHI-UHFFFAOYSA-N 388.493 2.968 0 40 GFAB COC(=O)c1cc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)ccc1OC 14283855 KNOQHWQAKQLWNO-UHFFFAOYSA-N 398.337 2.748 0 40 GFAB COC(=O)c1cc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)ccc1OC 14283843 IVEIFOKIIFBCOB-INIZCTEOSA-N 396.443 2.689 0 40 GFAB COCCn1c(-c2ccc(SC)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 6567022 OWMADXULJXGHFC-UHFFFAOYSA-N 388.493 2.578 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C\c2ccccc2)n2ccccc2=O)C1 4600016 WGVFJUJZXFZXQI-AQRXXJNJSA-N 380.444 2.648 0 40 GFAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C 5585978 JODMDCBWGSEKCN-KBPBESRZSA-N 387.457 2.613 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1C 4778380 MGNJBSVNSHOZEW-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB O=C(NC1CCCCCC1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6851732 TZNQOZHJTOZHJM-OAHLLOKOSA-N 389.521 2.687 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN(C)C)c(Cl)c2)cc1 20456537 HOFQLFNGGMNSAU-UHFFFAOYSA-N 395.912 2.741 0 40 GFAB COc1ccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)cc1Cl 21763318 BOXBRCFWHFYWQW-UHFFFAOYSA-N 386.839 2.656 0 40 GFAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N1CCCCCC1 7298800 IZZHJMTZZREFNB-CZUORRHYSA-N 376.478 2.824 0 40 GFAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(F)c3)c2)C1=O 15858682 ZJZVCIDPOCPXIO-UHFFFAOYSA-N 376.409 2.781 0 40 GFAB CCc1nnc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)s1 7667692 KPYHBLOSEQPZQM-UHFFFAOYSA-N 375.841 2.861 0 40 GFAB CN(CCOc1ccccc1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 7685980 RZLYURSCEAGXQS-UHFFFAOYSA-N 387.505 2.675 0 40 GFAB CCCNC(=O)CN(C)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 7680208 NLANMDQBAPMVJM-UHFFFAOYSA-N 377.504 2.945 0 40 GFAB O=C1CNC(=O)N1CCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 7947880 NLGPUSMQQIDLAJ-QGZVFWFLSA-N 389.502 2.616 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 9502055 PRLWQZCVTNYDLC-AWEZNQCLSA-N 387.867 2.864 0 40 GFAB CCOC(=O)[C@@H]1CCC[C@@H]1N1CCN(C(=O)c2ccccc2OC(F)F)CC1 95457028 PLGZVAHRVFBJIG-ZBFHGGJFSA-N 396.434 2.778 0 40 GFAB Cn1cc(-c2ccc3nnc(C4CCN(Cc5ccsc5)CC4)n3n2)cn1 306122978 ABFUDCLDDPUPIS-UHFFFAOYSA-N 379.493 2.966 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 39985213 LOOGOLLCMWZDSU-OAHLLOKOSA-N 376.478 2.583 0 40 GFAB COc1ccc(CN2Cc3nc(N)ncc3[C@H](NC(=O)c3ccsc3)C2)cc1 306137878 RJAPUCHELSHCIV-QGZVFWFLSA-N 395.488 2.616 0 40 GFAB CNc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 1999817 NLBLGIGBTKMQSA-MRXNPFEDSA-N 398.459 2.905 0 40 GFAB biogenic COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 33575637 KVYLCZJPUDTDAU-SXGWCWSVSA-N 387.823 2.813 0 40 GFAB CC(C)Oc1ccc2nnc(CCC(=O)NCCc3c[nH]c4ccccc34)n2n1 72403225 IISKNADARAOHHW-UHFFFAOYSA-N 392.463 2.684 0 40 GFAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 72228536 HYARWHHTOPSAAT-LJQANCHMSA-N 393.487 2.535 0 40 GFAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)Cc1ccccc1 71980571 IZZRRVAMIBDZMU-HXUWFJFHSA-N 394.471 2.533 0 40 GFAB COC(=O)C1CCN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)CC1 219468597 ZZWDAEFRRRWUJH-UHFFFAOYSA-N 380.444 2.992 0 40 GFAB O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)Nc1ccc(F)cc1 49410788 NQKMWVIGLJNYTB-UHFFFAOYSA-N 396.357 2.552 0 40 GFAB COc1cccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)c4cnn(C)c4)C3)n2)c1 72384306 QKZXWLUZYYMAMT-OAHLLOKOSA-N 393.447 2.949 0 40 GFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(c2ncnc3sccc23)CC1 225440717 OQVMJADRHSWPEA-HLLBOEOZSA-N 387.553 2.754 0 40 GFAB COc1ccc(OC)c(NC(=S)NC2CCN(C3CCOCC3)CC2)c1 225213110 NVENLRGLVLFAAP-UHFFFAOYSA-N 379.526 2.634 0 40 GFAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)nc1 223566381 RIMXLEWUUBHWAR-MOPGFXCFSA-N 379.489 2.541 0 40 GFAB Cc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 224412095 BAPUMOLLPLFZMW-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CCC(CC)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 96251283 YXKJEJLSVXFZTE-AVRDEDQJSA-N 386.540 2.651 0 40 GFAB Cc1csc(CNC(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)c1 580040063 WVENEHSFWKPFKJ-QGZVFWFLSA-N 383.477 2.920 0 40 GFAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4cnccn4)CC3)cc21 96099952 ARAYQZRWNDPATQ-UHFFFAOYSA-N 399.458 2.840 0 40 GFAB O=C(NCCN1Cc2ccccc2OCC1=O)c1cc(Br)cs1 238872875 NIIUYQMHUCZCDO-UHFFFAOYSA-N 395.278 2.662 0 40 GFAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ncc3c(F)cccn23)c1 527775649 YGPHNIDYCDILED-UHFFFAOYSA-N 381.411 2.815 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O 242831773 FQUYFBDCLMOFRO-UHFFFAOYSA-N 380.510 2.776 0 40 GFAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@H](c2nc[nH]n2)C1 584169329 PSNBLPROAIDPST-VIFPVBQESA-N 393.238 2.714 0 40 GFAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)o1 257267044 MFSQDKRKPOUGPV-SFHVURJKSA-N 397.475 2.950 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 260761998 FTNNHBDFVIRUMS-KSSFIOAISA-N 376.478 2.505 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)c1nc(C)c(C)s1 544926326 SWLOVPSTMPXWLX-UHFFFAOYSA-N 384.479 2.680 0 40 GFAB O=C(O)C[C@H](C(=O)N1CCOCC2(CCOCC2)C1)c1c(F)cccc1Cl 634920725 PIHPJCAFCYCKSN-ZDUSSCGKSA-N 399.846 2.693 0 40 GFAB O=C(COc1ccccc1F)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390831013 PCGMQCQQWFZFRO-MRXNPFEDSA-N 383.466 2.654 0 40 GFAB O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 96099423 JPMZHSHLBZUJSN-DTQAZKPQSA-N 391.514 2.925 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(SC)cc1 96103270 ZORAWURKMXMJRT-HNNXBMFYSA-N 394.880 2.859 0 40 GFAB Cc1cccnc1Nc1cc(CC2CCN(C(=O)/C=C/CN(C)C)CC2)ncn1 585292525 OAOZUTJJZVXEOP-FNORWQNLSA-N 394.523 2.823 0 40 GFAB Cc1cc(C(=O)N2CCc3c(F)ccc(C(=O)O)c3C2)c2c(C)nn(C)c2n1 630239012 QFYIDJUDRUTTLI-UHFFFAOYSA-N 382.395 2.621 0 40 GFAB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O 5706600 HHQRCSLQNBJJBX-CVEARBPZSA-N 396.509 2.794 0 40 GFAB CCOC(=O)c1sc(NC(=S)NC(=O)C(C)C)c(C(=O)OCC)c1C 5870560 QQDGBXIASGUYRZ-UHFFFAOYSA-N 386.495 2.879 0 40 GFAB CCCN1C(=S)N[C@H](c2ccc(F)cc2)C(C(=O)N2CCOCC2)=C1C 13063240 KWEVTNHWJVXVMM-QGZVFWFLSA-N 377.485 2.600 0 40 GFAB COc1cc(C(=O)Nc2ccc(C)cc2C)c(N(C)S(C)(=O)=O)cc1OC 13582559 SHQLMTNERJHAPL-UHFFFAOYSA-N 392.477 2.969 0 40 GFAB O=C(NC1CC1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13676823 DUCCAEXTCPACJY-QGZVFWFLSA-N 392.864 2.575 0 40 GFAB C[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 14153482 SZEHVELLJLCJJB-INIZCTEOSA-N 392.546 2.891 0 40 GFAB Cn1nc2c(c1C(=O)NCc1nnc(-c3nccc4ccccc34)o1)CCCC2 19288669 IICZGWOMMQUOGJ-UHFFFAOYSA-N 388.431 2.827 0 40 GFAB CC(C)N(C(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O)C(C)C 19447593 MTQANRDVWNPYOA-UHFFFAOYSA-N 383.496 2.987 0 40 GFAB COc1ccccc1N1C[C@@H](NC(=O)[C@@H](C)Cn2cnc3ccccc32)CC1=O 19457749 ROBIQISYPFMCRV-HOTGVXAUSA-N 392.459 2.603 0 40 GFAB Cc1cc(C)n(CCC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)c(=O)n1 19572493 HRJQSPZFQMXJRF-SFHVURJKSA-N 382.489 2.807 0 40 GFAB COc1cccc(C(=O)NCc2cc(N(C)C)nc(-c3cccnc3)n2)c1OC 19584533 FGCFVXXIWVILLK-UHFFFAOYSA-N 393.447 2.552 0 40 GFAB CN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2CCc2ccccc2)CC1 19589864 CAUZJECYGWOBLA-HXUWFJFHSA-N 396.926 2.906 0 40 GFAB O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ncc(Cc2ccccc2)s1 19657831 XJRWCHGGBMZMMA-UHFFFAOYSA-N 398.532 2.759 0 40 GFAB Cc1cccc(Nc2ccc3c(c2)CN2CCC[C@H]2C(=O)NCCOCCO3)n1 643572470 DFYVBIUJHWQPIT-IBGZPJMESA-N 396.491 2.623 0 40 GFAB CC(C)(C)C(=O)N1CCC(O)(Cn2c(C3CC3)nc3ccccc3c2=O)CC1 19081071 PGGQEZZEBLORFO-UHFFFAOYSA-N 383.492 2.674 0 40 GFAB COc1ccc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1OC 19560977 HAIIFIURCQLSPM-INIZCTEOSA-N 390.505 2.882 0 40 GFAB NC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc(C(F)(F)F)cc1 9685329 LGWDQTLLIPWWSR-UHFFFAOYSA-N 380.366 2.988 0 40 GFAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 25294409 SKEPAKGFPJGMTA-OAHLLOKOSA-N 379.420 2.804 0 40 GFAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)c3cccc(Cl)n3)C2)CC1=O 1565555260 DIMNNXOCICKHJC-LJQANCHMSA-N 388.855 2.605 0 40 GFAB CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(OCC(F)(F)F)C(F)(F)F 5717408 CISRTTKDDOSMJF-LLVKDONJSA-N 393.240 2.505 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3F)n2)cc1 9844289 WXWNLDHEFRMMGN-UHFFFAOYSA-N 381.407 2.878 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1F 11665744 VLXBLVYJSQYETB-UHFFFAOYSA-N 383.770 2.759 0 40 GFAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCN(CCO)CC1 19798395 XLYSDMZAMKIWBN-UHFFFAOYSA-N 383.879 2.963 0 40 GFAB biogenic,in-vitro O=C(Nc1nccs1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 21000318 KPIRFHXEZONVHI-CYBMUJFWSA-N 388.474 2.619 0 40 GFAB COc1nn(C)cc1C(=O)Nc1nnc(SCc2ccccc2F)s1 21011242 VQYKSQIQGURQKC-UHFFFAOYSA-N 379.442 2.964 0 40 GFAB COc1cccc2cc(C(N)=O)/c(=N/c3sc4c(c3C(N)=O)CCCC4)oc12 4177570 BPQCCNHXVYURNA-NMWGTECJSA-N 397.456 2.812 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCC(C)C)cc1 20068870 PBNKJDOSTXEGRM-JKSUJKDBSA-N 375.498 2.517 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCC2)cc1Cl 20068902 YQHLJODUJJFQKF-GJZGRUSLSA-N 393.900 2.630 0 40 GFAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 40133404 MUUWYSQYUGSNMU-LBPRGKRZSA-N 380.876 2.551 0 40 GFAB Cn1ccnc1CN1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 40139074 ALOZSSKGTDFGEL-UHFFFAOYSA-N 380.414 2.967 0 40 GFAB CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20292210 CVSPLXNBJCAUIS-DTQAZKPQSA-N 392.887 2.518 0 40 GFAB O=C(NCc1ccccn1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955244 QSWCJTRQKFYKSV-UHFFFAOYSA-N 377.448 2.660 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCN1CCOCC1 20219674 ADRAKVBBTPCXAK-FQEVSTJZSA-N 390.439 2.670 0 40 GFAB COc1ccccc1Nc1nc(N)nc(COc2ccc(-c3nnco3)cc2)n1 31705422 KNSHYPIBBHZTAP-UHFFFAOYSA-N 391.391 2.835 0 40 GFAB CCCCCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773826 FPCKWMVOYSOAOZ-RBUKOAKNSA-N 378.538 2.814 0 40 GFAB CC[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20477172 YBHNGENHBCNNPJ-LBPRGKRZSA-N 399.520 2.748 0 40 GFAB CO[C@@H](CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1ccccc1 32833871 OMNXWOAVRWPCDW-AWEZNQCLSA-N 383.473 2.830 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1 32841815 YAANWUKNNNTSJF-HXUWFJFHSA-N 376.460 2.754 0 40 GFAB Cc1noc2nc(-c3ccccc3)cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c12 32869690 YXAKAUXDALEPPY-MRXNPFEDSA-N 396.403 2.575 0 40 GFAB COc1ccc(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)cn1 21734985 DCJLGCJOGFOEEK-UHFFFAOYSA-N 390.461 2.854 0 40 GFAB COc1ccc(Cn2nnnc2SCC(=O)c2cc(F)ccc2F)cc1 8707111 AJVVDHBZMKJTOI-UHFFFAOYSA-N 376.388 2.983 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccco2)sc(C(C)=O)c1C 2639693 ZHHMCKFKDYOAKE-UHFFFAOYSA-N 379.390 2.824 0 40 GFAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCCC1 911296 BDOKRPCNFBOYRR-SFHVURJKSA-N 396.495 2.854 0 40 GFAB O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CC1 6437345 OYUHGUNPGZKVRW-UHFFFAOYSA-N 381.251 2.706 0 40 GFAB O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccccc1CN1CCCC1 10213812 OVPRAZNHABSBRQ-UHFFFAOYSA-N 390.487 2.768 0 40 GFAB COc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1Cl 8161584 UCPNHQXEKZUOIG-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)c(OC)c1 2386160 ZBJKOEDIUOWMQX-UHFFFAOYSA-N 385.449 2.625 0 40 GFAB CSc1ncc(C(=O)Nc2ccc(-n3cncn3)nc2)n1-c1ccccc1 23056359 LXPVWJAXNZPHMU-UHFFFAOYSA-N 377.433 2.822 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 23235486 YWQSPVKUPZLOGL-ZDUSSCGKSA-N 392.452 2.574 0 40 GFAB Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 23224453 SCWUNFBMCFDXQQ-UHFFFAOYSA-N 382.445 2.767 0 40 GFAB C[C@@H](c1ccccc1)n1cnn(CN2CCN(c3ncccn3)CC2)c1=S 54422224 KRZOGDAAWMVFSL-INIZCTEOSA-N 381.509 2.593 0 40 GFAB CN1C(=O)N(C[C@@H](O)COCc2ccccc2Cl)C(=O)C12CCCCC2 24098419 ZOWIOWOVJIKKTE-OAHLLOKOSA-N 380.872 2.814 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4C(=O)C[C@H](c5ccccc54)[C@H]3C2=O)c1 100559190 IOSGVIBONFEHJT-YGBSJELFSA-N 377.396 2.663 0 40 GFAB CCC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 26606042 MZNWXSKRCGFJIL-CQSZACIVSA-N 385.430 2.768 0 40 GFAB O=C1COc2cc(NC(=O)N3CCC[C@H](N4CCCC4)C3)c(Cl)cc2N1 58009111 QHYYUJOBAVSGAC-LBPRGKRZSA-N 378.860 2.763 0 40 GFAB O=C(CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1nc2ccccc2s1 2093259 GPGPCHBOJBRVRG-KBPBESRZSA-N 380.473 2.516 0 40 GFAB biogenic Cc1occc1C(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58209118 QYSOLWOFXRULEA-AWEZNQCLSA-N 375.856 2.614 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1cccc(C)c1 36185457 VWXYYMRYJPUSEQ-UHFFFAOYSA-N 384.432 2.632 0 40 GFAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-n3cncn3)cc2)CC1 28007215 ULHCPGMHJIOHOQ-UHFFFAOYSA-N 396.882 2.925 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(OC)c(OC)c1 10737664 SRECKXQSFDSUEK-OAHLLOKOSA-N 383.404 2.614 0 40 GFAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 48353542 QLUZTOQNRJGENS-CQSZACIVSA-N 393.509 2.535 0 40 GFAB Cc1ccc(F)cc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11160156 TWCDXFSIKJUQSU-QGZVFWFLSA-N 376.453 2.766 0 40 GFAB O=S(=O)(c1ccccc1)N1CN(C[C@H]2CCCO2)c2nc3ccccc3nc21 2430984 XZALGZCJLBXAAX-OAHLLOKOSA-N 396.472 2.782 0 40 GFAB CCN(C(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(F)cc1 12804543 VOAVKKPUIDDQPX-UHFFFAOYSA-N 393.484 2.618 0 40 GFAB O=C(/C=C/c1nnc2c3ccccc3cnn12)NCc1cnn(-c2ccccc2)c1 11582007 FWYLPEBVRDZKIS-ZHACJKMWSA-N 395.426 2.793 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 408660725 VDLZMDBTGKOYOL-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Br)c1 4089248 BBXFOWMEZFMFEJ-UHFFFAOYSA-N 391.250 2.746 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)N(Cc1ccn(-c3cccc(F)c3)n1)CCC2 72308361 PVPGGCRVDRVVFD-UHFFFAOYSA-N 386.452 2.612 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 6353780 VBXGULGFECEUIK-UHFFFAOYSA-N 387.244 2.878 0 40 GFAB Cc1nc(-c2cccc(NC(=O)COC(=O)CN(C)c3ncccn3)c2)cs1 23199419 KQRKEEFYNYDIFP-UHFFFAOYSA-N 397.460 2.527 0 40 GFAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c2ccccc2S1 14230166 YVKJNVGMIOVVKK-ZUOKHONESA-N 399.472 2.964 0 40 GFAB CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 6554604 HCKZYAMYTJGZHH-UHFFFAOYSA-N 389.502 2.861 0 40 GFAB CCOc1ccccc1-c1noc(CN(Cc2ccco2)S(C)(=O)=O)n1 6759091 RERONOZOYLCEEY-UHFFFAOYSA-N 377.422 2.690 0 40 GFAB Fc1cccc(-n2c(SC[C@@H]3CCCCO3)nnc2N2CCOCC2)c1 7067991 OZSUXELFGBTHHQ-INIZCTEOSA-N 378.473 2.904 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1Cc2ccccc2O1 15579420 ZAPKKYSAQVOOBU-LJQANCHMSA-N 386.473 2.803 0 40 GFAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccnn1Cc1ccccn1 8392038 UNIXJXFRXKJHFT-UHFFFAOYSA-N 377.404 2.653 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O 8541955 VWQOTDLNLWSSQI-UHFFFAOYSA-N 383.448 2.645 0 40 GFAB O=C(NCCC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)c1ccsc1 71802083 HOAVZIJDXOBNRJ-UHFFFAOYSA-N 391.537 2.509 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2c[nH]c(C)c(Br)c2=O)cc1 84155077 GDVGQWHXNZCOEF-UHFFFAOYSA-N 379.210 2.550 0 40 GFAB COc1cc(CNC(=O)c2ccc(C(=O)O)cc2)ccc1OC[C@@H]1CCCO1 95389796 XJBQIZVVOAUPLR-KRWDZBQOSA-N 385.416 2.881 0 40 GFAB O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@]2(O)CCCC[C@@H]2C1 95421493 VISKTPKFJIXYHX-ACJLOTCBSA-N 396.281 2.988 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccccn3)C[C@H]21 306123937 BAYCPEKGZUAETR-TZIWHRDSSA-N 377.469 2.899 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Br 27156336 ZGOHUSQZHNCIDS-UHFFFAOYSA-N 393.237 2.649 0 40 GFAB CCOC(=O)c1cnn(-c2cc(C)nc3cc(-c4ccccc4OC)nn23)c1N 36631423 IBHWZKSHPATVLN-UHFFFAOYSA-N 392.419 2.658 0 40 GFAB Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)no1 35596897 LUBOGXLPRPSEBH-ZDUSSCGKSA-N 382.376 2.782 0 40 GFAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCn1ccc2ccc(F)cc21 72400719 TVBRCAHLIMFQDX-UHFFFAOYSA-N 390.418 2.821 0 40 GFAB O=C(CN1CCOCC1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349710 DXJRQHLFJLTNKS-UHFFFAOYSA-N 397.494 2.850 0 40 GFAB Cc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773630 TWOMXCKQMORJBL-RBUKOAKNSA-N 376.522 2.532 0 40 GFAB COc1ccccc1C1(C(=O)Nc2ccc3c(c2)C(=O)NCC3)CCOCC1 70934168 WKUJXQXBVKRANK-UHFFFAOYSA-N 380.444 2.668 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(OCC)c2)CC1 31903926 GAPGLCDEGIOBKA-UHFFFAOYSA-N 375.874 2.703 0 40 GFAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccc2c(c1)OCCO2 224146236 CSLGAYKGGWKLOJ-UHFFFAOYSA-N 398.467 2.948 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCN(C)c2ccccc2)ccc1Cl 224172690 FSLHVTMRHFYLQB-UHFFFAOYSA-N 396.896 2.931 0 40 GFAB Cc1cc(C)cc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 223625867 HTVZSIJYJGDAPL-UHFFFAOYSA-N 378.469 2.567 0 40 GFAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 225031245 OJTOVSCSNGKAJQ-LBPRGKRZSA-N 382.511 2.789 0 40 GFAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 222608866 LWIGXXWALRRPQK-UUWFMWQGSA-N 379.489 2.861 0 40 GFAB CN(c1cccc(NC(=S)NCCSCc2ccco2)c1)S(C)(=O)=O 225347841 FPWWABXMBISZNV-UHFFFAOYSA-N 399.563 2.895 0 40 GFAB O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H]1COc2ccccc2O1 225258298 HQZCVCURJGQWRT-CQSZACIVSA-N 398.278 2.709 0 40 GFAB O=C(N[C@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1)c1cccnc1 98211788 CHPDPCOIDIADOX-SFHVURJKSA-N 384.443 2.800 0 40 GFAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 98181754 AUTCQXVTOIJYOT-VNQAHTJGSA-N 399.488 2.557 0 40 GFAB COc1ccc2c(c1)OCCN(C(=O)[C@H](O)Cc1c(F)cccc1Cl)C2 585080569 MJTZVKRNQGLYPL-QGZVFWFLSA-N 379.815 2.812 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cn(C)cn3)CC2)ncn1 257242938 IEUOKXQLQCMGIL-INIZCTEOSA-N 394.479 2.967 0 40 GFAB Cc1nc(-c2nccn2C)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 257305275 SPFYBYNAYOXHSJ-UHFFFAOYSA-N 382.493 2.970 0 40 GFAB CCOCC[C@H]1CCOC12CCN(C(=O)c1cccc3c1OCCO3)CC2 253383667 MFELSLGDDLHHBK-INIZCTEOSA-N 375.465 2.896 0 40 GFAB CN(c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F)C1CCCCC1 42870881 FKPLUJXMXNCLQP-AWEZNQCLSA-N 383.489 2.903 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)NC[C@@H](C)c2ccccc2)Oc2ccccc21 260850854 SEHPDPPRTAUHOH-DNVCBOLYSA-N 388.489 2.524 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 260793447 PQGDMBVABANOSK-HZPDHXFCSA-N 390.505 2.770 0 40 GFAB CC(C)N1CCC(N2C(=O)O[C@H]3CN(C(=O)CC(C4CC4)C4CC4)C[C@H]32)CC1 1615593236 ZIDNTYIWQIXGAU-UXHICEINSA-N 389.540 2.717 0 40 GFAB O=C(O)c1ccc2c(c1)CN(C(=O)c1cccc(NC(=O)[C@H]3CCCO3)c1)C2 621554589 PZWRLFAEIXVYTM-GOSISDBHSA-N 380.400 2.658 0 40 GFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)s1 654640095 ZBBOTJNNIJRTAR-VXGBXAGGSA-N 378.502 2.886 0 40 GFAB O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1CC[C@H](C2CC2)N1 653082116 JTLYGFCHHMRYRO-CABCVRRESA-N 390.285 2.558 0 40 GFAB Cc1ccc2cc(CNC(=O)c3sc4ncn(C)c(=O)c4c3C)c(O)nc2c1 585295198 PNQPIWISQQFJCU-UHFFFAOYSA-N 394.456 2.796 0 40 GFAB Cn1cc(/C=C/C(=O)N2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)cn1 585290217 OVIRIODWIRFAAT-XSRQDNPPSA-N 381.476 2.908 0 40 GFAB CN(Cc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 585100013 ZUZXIRJBGHYJBL-GOSISDBHSA-N 384.455 2.511 0 40 GFAB COCCOc1ccc(CN2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cc1OC 72343317 OUTIHRVOFRWAJN-WIYYLYMNSA-N 382.460 2.955 0 40 GFAB Cc1ccc(C(=O)Nc2cccnc2-c2cnn(C)c2)cc1N1CCOCC1 633136036 CXCGOGFDOIBJCV-UHFFFAOYSA-N 377.448 2.879 0 40 GFAB O=S(=O)(NCC1(c2ccsc2)CCOCC1)c1cccc2nsnc12 952990468 ZQTHPQSOHDXDBA-UHFFFAOYSA-N 395.531 2.780 0 40 GFAB COc1ccc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)s1 12407900 QMRABWHHUPECRO-NWDGAFQWSA-N 397.451 2.891 0 40 GFAB COC(=O)c1cccc(OS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 12969089 OIRVSTLEIDUQPX-GFCCVEGCSA-N 389.429 2.538 0 40 GFAB O=C(NCCCN1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13632560 IAIQBWBLCOMALK-UHFFFAOYSA-N 387.505 2.703 0 40 GFAB O=C(NCCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc2c(c1)OCO2 13800389 OYAXKXXAITXTIF-UHFFFAOYSA-N 392.415 2.851 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 15453078 RZJSTQNQLBFTNR-CABCVRRESA-N 388.489 2.591 0 40 GFAB Cc1ccc(-c2nnc(CNC(=O)c3ccc(N4CCN(C)CC4)cc3)o2)s1 19217932 FCMHAGPRXCBCBS-UHFFFAOYSA-N 397.504 2.788 0 40 GFAB CN(C)[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccc2c(c1)OCO2 19581494 LNMSTCIERDYWNW-SFHVURJKSA-N 396.422 2.773 0 40 GFAB CC(C)(C)C(=O)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700892 WCYRLYQZVCJHBY-QHCPKHFHSA-N 395.503 2.584 0 40 GFAB O=C(NCc1cccnc1N1CCCC1)c1ccnc(O[C@@H]2CCSC2)c1 225724099 VFHRQBRXTSGVKC-QGZVFWFLSA-N 384.505 2.891 0 40 GFAB COC[C@@H](C)NC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226625 QUNVUSMRSSXXIU-RHSMWYFYSA-N 378.444 2.657 0 40 GFAB CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCc1cccc(OC)c1 14033545 ZXYXBKUACOGIEX-MRXNPFEDSA-N 387.505 2.600 0 40 GFAB Cc1ncc(C(=O)N(C)C2CCC3(CC2)CNC(=O)c2ccccc2O3)c(C)n1 19552353 ATVCLXTWRKNMSW-UHFFFAOYSA-N 394.475 2.669 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)NCC3(c4ccccc4)CC3)ccc21 8723465 MJGIEWOZWSZVRZ-UHFFFAOYSA-N 384.501 2.860 0 40 GFAB O=C(Cc1cccnc1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888892699 FJQNPSZWCDGWNQ-UHFFFAOYSA-N 377.423 2.569 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)Cc1cc(F)ccc1F 238883949 PSPKJHYSOANHCN-LJQANCHMSA-N 397.443 2.617 0 40 GFAB O=C(CCC(=O)c1ccc(Cl)cc1)NCCn1cnc2ccsc2c1=O 238941828 WBBYIYDSTYONHY-UHFFFAOYSA-N 389.864 2.891 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 1565544445 LDPJJTYOFUAKRN-UHFFFAOYSA-N 377.435 2.858 0 40 GFAB CCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 2461682 KXWGHHJYEGDFSN-UHFFFAOYSA-N 386.429 2.802 0 40 GFAB COc1cccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 9040660 ATCUUDMCLZXWRN-CYBMUJFWSA-N 383.404 2.599 0 40 GFAB O=C(CCc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)N1CCCC1 16848401 LGFMWKNKZCXSBA-UHFFFAOYSA-N 383.470 2.638 0 40 GFAB CCOC(=O)[C@H](C)Sc1nnc(N2CCN(c3ccccc3)CC2)s1 23140120 XWZFPCLGILFXCN-ZDUSSCGKSA-N 378.523 2.908 0 40 GFAB NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2 100093793 QVMVBPAPBMXUBR-AZHAFVHUSA-N 388.489 2.967 0 40 GFAB Cc1cccc(NC(=O)C2CCN([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)n1 40154609 APZRTHWGKGUXSL-MRXNPFEDSA-N 398.511 2.845 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4cc(C)ccc4C)[C@H]3C2=O)cc1OC 101169128 LJEKQFDDYGNFRU-RTBURBONSA-N 394.431 2.814 0 40 GFAB CC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 32776130 DHRHGKFESOLTBJ-IINYFYTJSA-N 386.420 2.882 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)c2cc3cc(OC)ccc3oc2=O)c1 2689341 AJGHWFNSLPWPRC-UHFFFAOYSA-N 376.386 2.652 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(F)c(F)c1 37108941 GBSSFMMFWATHFH-UHFFFAOYSA-N 376.359 2.837 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 32933112 CVOGSAMEJQPCEA-ZBFHGGJFSA-N 390.509 2.506 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 6362183 FQHISAZSQYPBOE-UHFFFAOYSA-N 382.507 2.808 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C)n1C1CC1 7533647 DFMZLRJWERJPHV-OAHLLOKOSA-N 388.493 2.702 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)[C@H]4C[C@H]4C)nn3c2O)C1 100234291 GUGSAROJMAAULR-QIIPPGSGSA-N 383.496 2.521 0 40 GFAB CCOC(=O)c1s/c(=N/c2ccc(C)cc2)n(CCN2CCOCC2)c1C 100053157 JVJAKFZVIHNNGW-QZQOTICOSA-N 389.521 2.908 0 40 GFAB Cc1ccc(OCCNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 12527358 WPLNQYDURZCUDC-UHFFFAOYSA-N 390.505 2.815 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cc(Cl)ccc1-n1cncn1 24893114 BPRORJJGBUKMEI-UHFFFAOYSA-N 397.744 2.740 0 40 GFAB COc1ccccc1COC[C@H](O)Cn1c(=O)c2ccccc2n2nc(C)cc12 24834812 QXIDOSKKSZCRBO-QGZVFWFLSA-N 393.443 2.544 0 40 GFAB C[C@@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2cccc(OCc3cccnc3)c2)no1 97102688 CNDXZIJMYGNYHY-ACJLOTCBSA-N 394.431 2.659 0 40 GFAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 21555360 BSPQKIXDQJQTPN-FQEVSTJZSA-N 384.432 2.616 0 40 GFAB CCN1C[C@@H](CN(C)C(=O)c2cnn3c(C)cc(C)nc23)Oc2ccccc21 12545084 AMSYNPIBHCOARE-MRXNPFEDSA-N 379.464 2.706 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102088195 BIKOHLLBMQDSFE-UQXKVLDMSA-N 391.265 2.807 0 40 GFAB COCCc1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 100763658 WYCWIFRBVXJXAA-ROUUACIJSA-N 383.492 2.689 0 40 GFAB COc1ccc(CN(C)Cn2cc(S(=O)(=O)N(C)C)ccc2=S)cc1 25469649 CRWLRHXFRQTZLQ-UHFFFAOYSA-N 381.523 2.566 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(O)c(Cl)c1 25685993 UFIJBNPTTBLZQC-KRWDZBQOSA-N 378.831 2.988 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1 25784402 KRLHCTXHQJDPMM-UHFFFAOYSA-N 379.532 2.864 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1OC 26392608 HEUCQHPBKBVUQW-CYBMUJFWSA-N 377.462 2.988 0 40 GFAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccccc1OC(F)F 12660862 DRMQGOOSPINVDI-UHFFFAOYSA-N 375.331 2.820 0 40 GFAB CC(=O)Nc1nc(CS(=O)(=O)Cc2cc(-c3ccccc3)on2)cs1 48286363 NEDYJXKNHJWLPG-UHFFFAOYSA-N 377.447 2.872 0 40 GFAB CCNC(=O)COc1cccc(NC(=O)c2ccc(C(F)(F)F)nc2O)c1 27507835 WKGIARBSFHTMJN-UHFFFAOYSA-N 383.326 2.573 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)N(CC)Cc1ccc2c(c1)OCO2 57897157 XVBJQKMVRLYLJG-UHFFFAOYSA-N 384.432 2.593 0 40 GFAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccc(Cl)cc1 44890061 JMMRLPFMJZTDCN-UHFFFAOYSA-N 394.880 2.860 0 40 GFAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c(C)c1 10233803 WUDKWGATNGXSHA-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C[C@H](C)OC)c1 58208736 AYHIFNAQDFPMHM-HNNXBMFYSA-N 397.541 2.681 0 40 GFAB Cc1cccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)c1 23144602 RBVVOWGCZLVSHT-UHFFFAOYSA-N 391.479 2.942 0 40 GFAB CC(C)N1C[C@@H](C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1=O 48367918 YOQSPDNROKVTEM-KRWDZBQOSA-N 397.450 2.951 0 40 GFAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NC(=O)NCc1ccco1 3451154 AMDOHMTVHWJUQT-VOTSOKGWSA-N 396.321 2.881 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CN(C)CCOc3ccccc3F)ccc21 12986723 ODQRZMPSNNXJPI-UHFFFAOYSA-N 385.439 2.684 0 40 GFAB COc1ccc(CN(C(=O)c2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 4185638 DWIIRHNOSIRTRJ-QGZVFWFLSA-N 389.473 2.533 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4144300 AGBRNNFXUULIMS-GRDNDAEWSA-N 382.313 2.930 0 40 GFAB Cc1cccc(N2N=C(C(=O)Nc3ccccc3SCC(N)=O)CCC2=O)c1 14077100 AINTWMULWGRKGT-UHFFFAOYSA-N 396.472 2.694 0 40 GFAB O=C(NCCCn1ccnc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 65566278 YASYHIDTCUTWEG-UHFFFAOYSA-N 379.468 2.648 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1F 4594511 RZUIUVVVHUDYBL-MRXNPFEDSA-N 399.275 2.710 0 40 GFAB COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 5571444 YOKGALSHUBXTCH-JQWIXIFHSA-N 382.869 2.883 0 40 GFAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 4704072 HHQRHAAIZFAQIU-QGZVFWFLSA-N 385.395 2.638 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)N[C@H](Cc1ccccc1)c1ccccc1 6881843 WIKDKWWYBUPWND-OAQYLSRUSA-N 384.439 2.892 0 40 GFAB COc1ccc(Br)cc1CN(C)C(=O)Cn1nnc2ccccc21 9417738 HKQDLNOHWKXKAN-UHFFFAOYSA-N 389.253 2.861 0 40 GFAB O=C(NC1CCN(CCc2ccccc2)CC1)c1cc2c([nH]c1=O)CCCC2 68089358 GUGQZMRXZAHBCC-UHFFFAOYSA-N 379.504 2.691 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ncnc3sccc23)CC1 7778686 ANNALKXTJXNZOY-NTUHNPAUSA-N 386.502 2.814 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccc(C(N)=O)cc1 8311522 PRJFNDYIUBANOB-UHFFFAOYSA-N 391.475 2.659 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 8496726 KTCJVSFJRYUXII-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB CCOC(=O)c1ccoc1COC(=O)CCS(=O)(=O)c1ccc(C)cc1 8626400 LLVRVJUNICOUQJ-UHFFFAOYSA-N 380.418 2.672 0 40 GFAB C[S@](=O)c1c(Cl)cccc1NC(=O)NCC(=O)NCCc1ccccc1 72309780 WNUHNJMZVYEYAA-AREMUKBSSA-N 393.896 2.558 0 40 GFAB C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9579115 NWVDXUHIHBSBGG-AWEZNQCLSA-N 388.493 2.891 0 40 GFAB COC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1cc(C)ccn1)C(F)(F)F 19944129 RHESORRIASPPJC-QGZVFWFLSA-N 381.354 2.972 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1C 409223684 GYRWXOMQHAYZEY-UHFFFAOYSA-N 378.384 2.528 0 40 GFAB COc1ccc(CCCNC(=O)c2cccc(CN3CCOCC3)c2)cc1OC 110663823 GWAJOAOFARDAEM-UHFFFAOYSA-N 398.503 2.899 0 40 GFAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N2CCN(C)CC2)n1 408554929 GJSHRSBNWCBIBN-UHFFFAOYSA-N 376.913 2.972 0 40 GFAB Cn1cc(-c2ncccc2NC(=O)c2cccn(Cc3ccccc3)c2=O)cn1 530324281 PJKUVPCUWPRARH-UHFFFAOYSA-N 385.427 2.944 0 40 GFAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30872483 MTWGGYBCCNWBLU-IBGZPJMESA-N 380.554 2.967 0 40 GFAB Cc1nnc(Sc2ccc([C@H]3N[C@H](C(=O)O)CS3)cc2[N+](=O)[O-])s1 35339448 KCTOAMPABIEJMO-KWQFWETISA-N 384.464 2.694 0 40 GFAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nc(-c2cccnc2)cs1 71279660 NBBDYQSMQKBJNG-UHFFFAOYSA-N 379.401 2.661 0 40 GFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ncc[nH]2)C1 72352214 VYYNILDIKWPLBK-CQSZACIVSA-N 384.505 2.990 0 40 GFAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 72375096 HDGIUHORTNJEKJ-GFCCVEGCSA-N 385.424 2.887 0 40 GFAB NC[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218535229 SDLAFJXOWAOMLD-IXDOHACOSA-N 386.300 2.871 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)Nc2cccc3c2CCNC3=O)CC1=O 562716000 HYJWLRSOYSZZOZ-OAHLLOKOSA-N 377.444 2.527 0 40 GFAB Cc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc2c(c1)OCO2)CC3 48987876 WCBCIEWJPQENFE-UHFFFAOYSA-N 391.427 2.562 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)s1 225084686 OIXXDHQMYYIYLB-LLVKDONJSA-N 381.479 2.826 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1C 223676624 ASGDNBVUTCRSMN-UHFFFAOYSA-N 379.434 2.990 0 40 GFAB COCc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 223626981 KKVSDMNCAPRGBH-UHFFFAOYSA-N 376.478 2.855 0 40 GFAB Cc1nc(CN2CCOC[C@]3(CN(Cc4ccsc4)CCO3)C2)cs1 96049809 MXZAQBYGDLYJLB-SFHVURJKSA-N 379.551 2.616 0 40 GFAB Cn1c2ccccc2c2c1cc(C(=O)N1CCC[C@H](O)C1)n2-c1ncccn1 96146339 PLGPHSBNLGXOLM-AWEZNQCLSA-N 375.432 2.509 0 40 GFAB CCn1nc(C)cc1C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 247825336 JBOCZRPHSSEMCK-ZDUSSCGKSA-N 376.457 2.525 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@H]1CCCO1)[C@@]1(C2)NC(=O)c2ccccc2O1 253596918 XZNQWQJQXLWDJQ-ZCYBMSBGSA-N 384.476 2.627 0 40 GFAB Cc1c(C(=O)N[C@@H](CO)C2CCCCC2)nnn1-c1cccc2cnccc12 537782305 CMXWSEOIPKNRPI-SFHVURJKSA-N 379.464 2.795 0 40 GFAB CNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 257326494 WXJUBGPLXLBXKU-OXQOHEQNSA-N 392.503 2.697 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)Cn2c(C(C)C)nc3ccccc32)[C@H]1O 257298491 RLXKEFJRAYZRBA-YVWKXTFCSA-N 381.480 2.545 0 40 GFAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C(F)F 257275526 NPTJRXSTKQABII-DZIWXPPMSA-N 394.466 2.910 0 40 GFAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 260508183 PXQMBAISIJERMH-WMZOPIPTSA-N 382.526 2.570 0 40 GFAB CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@H](C)C2)n1 260735137 FRYMERRJBRVVIM-LBPRGKRZSA-N 389.554 2.960 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCCCC[C@@H]3C(=O)O)cc2)co1 629314356 NXBQUIVUJJLYRC-JKSUJKDBSA-N 378.450 2.962 0 40 GFAB O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccn(CCc2ccccc2)n1 649165859 DFUZWNMQODUROM-FQEVSTJZSA-N 380.492 2.789 0 40 GFAB O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc2oc(O)nc2n1 668125968 JMLAPAMXUUZBPX-UHFFFAOYSA-N 381.388 2.899 0 40 GFAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1c(F)c(F)cc(F)c1F 674595889 PWZDWOBQVFBISN-UHFFFAOYSA-N 396.344 2.857 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2C)OCCO)cc1 96338038 LRKWJPGEMUMQCR-QGZVFWFLSA-N 383.897 2.985 0 40 GFAB CS(=O)(=O)c1nccn1-c1cccc(C(=O)NCc2ccccc2Cl)c1 390828345 QNFKBQIJXXMGBO-UHFFFAOYSA-N 389.864 2.859 0 40 GFAB Cc1ccc(C)c(N(C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 54273429 MAQSVEOBLSHUQB-UHFFFAOYSA-N 375.494 2.643 0 40 GFAB O=C(CSc1ccc(F)cc1)N1CCCSC[C@@H]1CN1CCOCC1 90609120 MSUPXKQKNRPKNK-INIZCTEOSA-N 384.542 2.584 0 40 GFAB Cc1cccc(NC(=O)CN(C)C(=O)CCn2cnc3ccccc3c2=O)c1C 12930313 KIUDEURKHWJTFX-UHFFFAOYSA-N 392.459 2.501 0 40 GFAB COc1cc(C(=O)Nc2cccc(C)c2C)c(N(C)S(C)(=O)=O)cc1OC 13582556 LSXJIUIMLCJNTF-UHFFFAOYSA-N 392.477 2.969 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 14200836 JSNHWTHRBCNCBL-DYVFJYSZSA-N 376.478 2.926 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 16321533 FNDPHRFXAJHRDK-UHFFFAOYSA-N 395.868 2.558 0 40 GFAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(-n2ccnc2)cc1 19079197 JNBZBMSTADEMRV-LBPRGKRZSA-N 385.474 2.917 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19499413 XLMPTCJXRPZZNA-ROUUACIJSA-N 384.455 2.783 0 40 GFAB NC(=O)c1ccc(N2CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)cc1 606845942 NOYVBMLGTZDFQO-UHFFFAOYSA-N 396.878 2.812 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccnn2C)c2ncccc12 649977320 PHIUCNUBGCGROT-INIZCTEOSA-N 386.477 2.893 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2[C@@H](CCC[C@]2(O)c2cccnc2)C1 12222738 SGGDQJLWJCNJCX-WEYGHZABSA-N 382.508 2.511 0 40 GFAB Cc1nc([C@H]2CCN(C(=O)Nc3cc(C)n(-c4cccc(Cl)c4)n3)C2)n[nH]1 563544531 GBYAVHGDEWBEQG-ZDUSSCGKSA-N 385.859 3.282 0 40 GFAB CC(C)(C)c1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(C2CC2)n1 1888898039 UVNHNBAEQRGTGT-UHFFFAOYSA-N 378.484 2.644 0 40 GFAB Cc1nc(C(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)ccc1F 1888901024 IOHIUNYCXVGYLN-UHFFFAOYSA-N 393.422 2.654 0 40 GFAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(O)CC2)cc1 21334874 BMUQVHIVOPJEGS-JOCHJYFZSA-N 393.487 2.830 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C)cc1 24493745 UCRNJTPRCMWRHA-OAHLLOKOSA-N 396.365 2.596 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nc2ccccc2[nH]1 28986008 OSWNQVRBSTYDSW-OAHLLOKOSA-N 386.477 2.666 0 40 GFAB O=C(CCC(=O)c1ccc(Cl)cc1)NCCn1cnc2sccc2c1=O 238864190 LJPJXQOMQLVNHY-UHFFFAOYSA-N 389.864 2.891 0 40 GFAB O=C(c1ccccn1)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841092 VYNULHYDYIPRNX-NRFANRHFSA-N 383.423 2.649 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)o1 2720164 AXJVYMBIZHHKNL-BETUJISGSA-N 392.481 2.551 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccco2)cc1 15391185 YLAJOQPIWZOGCM-OAHLLOKOSA-N 392.477 2.538 0 40 GFAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3ncccn3)no2)C1 49483038 SWVAWAGYHBDVEB-UHFFFAOYSA-N 391.309 2.665 0 40 GFAB COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3ncnn32)cc1OC 949745 XMQBWRMUXDNHAT-GOSISDBHSA-N 392.419 2.618 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 32455724 DHBUJEUJPBDRJX-LBPRGKRZSA-N 391.269 2.791 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)C1 40071739 RJCXBRUVVHQICV-MRXNPFEDSA-N 394.537 2.836 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100892390 UMAMHMRHBSSIHY-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB C[C@@H](/N=c1/scc(-c2cnn(C)c2)n1Cc1ncnn1C)c1cccs1 101353247 KNDKSZXLPPXLOH-SCGHJSMSSA-N 385.522 2.850 0 40 GFAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)[C@H]1CCS(=O)(=O)C1 21599207 NVJUGFRZXAOUPQ-NSHDSACASA-N 379.438 2.575 0 40 GFAB O=C(Nc1cc(F)ccc1O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 79014363 BJLCLHQYFSLNKT-INIZCTEOSA-N 378.425 2.713 0 40 GFAB CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1N1CCOCC1 7872751 UVQKKIGTJCLYEZ-OAHLLOKOSA-N 389.525 2.871 0 40 GFAB Cn1/c(=N\C(=O)c2ccc(=O)n(Cc3ccccc3)n2)sc2ccccc21 104991327 GCGURQCJULSMFJ-QZQOTICOSA-N 376.441 2.586 0 40 GFAB C[C@@H](OC(=O)c1cccc(N2CCCC2=O)c1)C(=O)NCc1ccc(F)cc1 24196838 YOOOIAWEQCLQGA-CQSZACIVSA-N 384.407 2.814 0 40 GFAB CCOC(=O)N1CCN(Cn2ccn(-c3ccc(OC)cc3)c2=S)CC1 12565348 SMKCYBUHKQNKTI-UHFFFAOYSA-N 376.482 2.748 0 40 GFAB Cc1ccccc1/C=C/C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 57449637 WXYPSIZLCBDTSY-IZZDOVSWSA-N 381.451 2.930 0 40 GFAB Cc1cc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc(C)c1Cl 102085608 LTDXGLOQYGSKQK-UJARPBSLSA-N 385.847 2.915 0 40 GFAB CC(C)[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)CC(=O)N1CCCC1 58224104 BRDHSIAUHODJJP-QGZVFWFLSA-N 397.313 2.933 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)c3ccc(OCC(N)=O)cc3)cc2)cs1 12615309 HJZJSUDDXUEJBW-UHFFFAOYSA-N 381.457 2.913 0 40 GFAB Cc1nc(N2CCCC2)[nH]c(=O)c1CC(=O)N1CCC[C@@H]1CCc1ccccc1 58310168 JTKBCGRTIJBWPH-LJQANCHMSA-N 394.519 2.845 0 40 GFAB CCc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2cccs2)n1 48289795 LYJMCERDWFPFIL-SFHVURJKSA-N 396.516 2.979 0 40 GFAB CS(=O)(=O)c1cccc(OCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 48227719 OIQAVFVODGBUNK-UHFFFAOYSA-N 389.260 2.997 0 40 GFAB Cc1cccc(C)c1OS(=O)(=O)CCN1C(=O)NC2(CCC(C)CC2)C1=O 3304510 HYWJQKWGBSHOAZ-UHFFFAOYSA-N 394.493 2.513 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(OC)c(OC)c1 3300449 PCFUSYBIODLLEA-UHFFFAOYSA-N 389.404 2.865 0 40 GFAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1O 12777279 LCSMKMWUTIRHTB-WJDWOHSUSA-N 386.404 2.998 0 40 GFAB C[C@@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 12850293 HOSFIWUPRYASDX-CQSZACIVSA-N 375.469 2.657 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)COc3ccccc3F)CC2)c1C 12993458 IQHLYIAVDQYOMY-UHFFFAOYSA-N 399.466 2.604 0 40 GFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 12911486 BXGZBHAAAYCYHC-CQSZACIVSA-N 381.407 2.944 0 40 GFAB Cc1nc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cs1 13360049 ZJFJZQUYQGRNAI-UHFFFAOYSA-N 375.469 2.802 0 40 GFAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 8878684 GHVFAIDHZPDGTD-ONGXEEELSA-N 385.852 2.764 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NCc1ccc(Cn2cccn2)cc1 14244215 OOZKLZOWZPUIAT-UHFFFAOYSA-N 376.416 2.546 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Br)o1 5675214 IBHGUWHEOYIKEQ-UHFFFAOYSA-N 382.166 2.624 0 40 GFAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)N(C)C 5866760 DHHSTKVDKKUOTI-UHFFFAOYSA-N 386.429 2.604 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c1C 7371404 ZHXMQAZCEOUNKI-UHFFFAOYSA-N 380.408 2.702 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCNC[C@H]2COc3ccccc3O2)cc1 28285529 BJZRYWHWAMDGRM-KRWDZBQOSA-N 384.432 2.622 0 40 GFAB Cc1ccc(C)c(OCC(=O)N[C@]2(C(=O)O)CCCN(Cc3ccccc3)C2)c1 95464046 UBNNGSSYNCUHNF-HSZRJFAPSA-N 396.487 2.918 0 40 GFAB O=C(O)C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 95949151 UVKJEEAOADNIFQ-AWEZNQCLSA-N 386.389 2.788 0 40 GFAB O=C(NCCOc1ccccc1)C1(C(=O)NCCOc2ccccc2)CCC1 95966431 SIVKIMQHXJXRQZ-UHFFFAOYSA-N 382.460 2.547 0 40 GFAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 89977204 LBEJWLGPPKHMFZ-KGLIPLIRSA-N 387.452 2.773 0 40 GFAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1Cl 408553153 OHFRGTUBTIFSBB-UHFFFAOYSA-N 389.839 2.659 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)NC1=S 409208956 AZNFHOSXUMCBOV-WQRHYEAKSA-N 396.468 2.805 0 40 GFAB Cc1nnc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)s1 71279503 WJJHHHILSVPKTH-UHFFFAOYSA-N 386.886 2.682 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(Cl)cc1 219431866 OAGYMDOJRWYPOR-UHFFFAOYSA-N 392.864 2.581 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2cccc(Br)c2)n1 32623378 MXNKHHBNOAEBPI-UHFFFAOYSA-N 391.630 2.515 0 40 GFAB CC(=O)N1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)CC1 35315191 QGGMSEFLKBEOMH-UHFFFAOYSA-N 379.439 2.693 0 40 GFAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)Nc5nc6c(s5)CC5(CCOCC5)CC6)[C@H]1[C@@H]3[C@@H]42 562634462 GYDFPQXAHNDCHM-LOYHAXPHSA-N 396.512 2.694 0 40 GFAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)Cc1ccccc1 71980570 IZZRRVAMIBDZMU-FQEVSTJZSA-N 394.471 2.533 0 40 GFAB COC[C@@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218062041 ZBFDNCIXENKZHR-SOLBZPMBSA-N 380.849 2.997 0 40 GFAB CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)COC)C1 72396015 CTDYHWNKHXKVOY-JOCHJYFZSA-N 399.491 2.584 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1 44770418 XHTUYCYBAULJQP-ZDUSSCGKSA-N 393.461 2.838 0 40 GFAB COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224807971 SDXLQIDUXYKOMI-UHFFFAOYSA-N 379.434 2.624 0 40 GFAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 223683300 NZCUHVBLCQDCIX-UHFFFAOYSA-N 398.887 2.912 0 40 GFAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)on2)CC1=O 138915287 LVYOWABOCOKVTQ-MRXNPFEDSA-N 399.447 2.643 0 40 GFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)Nc1ccccc1F 77154993 AIPJHKYABRNYNP-UHFFFAOYSA-N 396.469 2.777 0 40 GFAB CCN(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 226055445 BVDFGUZDSIURBP-UHFFFAOYSA-N 390.505 2.639 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C(C)C 225271914 GUKCXHVUQQFUCP-CQSZACIVSA-N 377.462 2.937 0 40 GFAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cc(F)c(F)c(F)c1 96231427 JPFNLRJCQBADRU-HNNXBMFYSA-N 391.349 2.596 0 40 GFAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)c1ccc(OC)cc1)CC2 96147042 QLRIXYCXEFTVOR-UHFFFAOYSA-N 387.505 2.875 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc(C)c1 96520186 WFPSLFXQLWYNIQ-WDEREUQCSA-N 388.654 2.791 0 40 GFAB COc1ccc(-c2nn([C@H](C)C(=O)Nc3nccs3)c(=O)cc2OC)cc1 96101054 TUEDLJNNGXTEKV-LLVKDONJSA-N 386.433 2.584 0 40 GFAB O=C(c1cccc2cccnc12)N1CCC[C@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075571 FSFLDAVGWKYQHZ-MBSDFSHPSA-N 395.503 2.578 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1F 253471987 HICFRKOWXMQBOL-INIZCTEOSA-N 385.413 2.834 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257309116 TZPMFHHCDJPLPK-ICSRJNTNSA-N 376.428 2.794 0 40 GFAB COc1cccc(Cn2nc3c(=O)n(-c4cccc(Cl)c4C)ccn3c2=O)c1 252508988 YAFRPPUSYWKUTF-UHFFFAOYSA-N 396.834 2.666 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3ccnnc3)C2)ncn1 257337934 YVBQUJVWTCEMSA-HNNXBMFYSA-N 378.436 2.633 0 40 GFAB Cn1ccnc1-c1cnc(C[C@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)cn1 257228861 FVOSNCWGHLXBAN-CYBMUJFWSA-N 383.402 2.860 0 40 GFAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1F 253394377 AZYYFKGKALYNTK-SFHVURJKSA-N 390.461 2.940 0 40 GFAB CCC1(CC)C[C@H](NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 260772495 YVXVBGSNMSLPSW-RDJZCZTQSA-N 394.537 2.857 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)cnc2O)N2CCOCC2)o1 635158610 YJUCOJXOGWQACH-AWEZNQCLSA-N 399.369 2.511 0 40 GFAB CCOc1nc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)co1 681230748 DIVQLTIJNHZPIY-UHFFFAOYSA-N 379.416 2.825 0 40 GFAB COc1ccc(CCNC(=O)c2ccnc(OC3CCOCC3)c2)cc1OC 390827390 GUCMOOMJRFDWKT-UHFFFAOYSA-N 386.448 2.629 0 40 GFAB Cc1c(C(=O)N2CC3(C[C@H](OCC(=O)N(C)C)CS3)C2)oc2ccccc12 575403529 MPCQRYBKALFZKP-AWEZNQCLSA-N 388.489 2.546 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@H](c2nccnc2Nc2ccccn2)C1 585293179 RSKPLZPNPYEAQI-BLGFXRMMSA-N 386.459 3.430 0 40 GFAB CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)c2cc(F)ccc21 585105615 BMLAVPKEDXXUQC-AWEZNQCLSA-N 384.455 2.736 0 40 GFAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)s4)CC3)[C@H]2C1 585106119 NTDLEVDQWJFQFF-UAGQMJEPSA-N 389.565 2.755 0 40 GFAB Cc1cc2c(N3CCN(c4ccc(-c5cccs5)nn4)CC3)nccn2n1 1775977173 GNZJYPOROSZMJA-UHFFFAOYSA-N 377.477 2.883 0 40 GFAB O=C(O)CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 5664241 OASJPWQLYVTQGY-NWQDQBDJSA-N 386.454 2.785 0 40 GFAB CCn1c(=O)n(CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)c2ccccc21 12993479 UWXWLZOQTAIZSA-AWEZNQCLSA-N 383.448 2.718 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cc2csc(-c3cccc(OC)c3)n2)CC1 13729038 YVCJUAYMBHYYSC-UHFFFAOYSA-N 389.477 2.662 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1nc2ccc(Br)cc2s1 14244890 DTUQAYFCZOHIIA-UHFFFAOYSA-N 382.239 2.536 0 40 GFAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCOCC2)CC1 17909068 NREIUJKUVRKSBP-UHFFFAOYSA-N 392.499 2.994 0 40 GFAB CC(C)(C)CC(=O)N[C@H](Cc1cc(O)nc(N2CCOCC2)n1)c1ccccc1 19082775 HYIGEILZLFWSIC-GOSISDBHSA-N 398.507 2.855 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19236990 HPUXACWYEUDBLN-KCXPTXFHSA-N 396.418 2.516 0 40 GFAB CCOc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)ccc1OC 19532125 ZIZCOJSYSHHRJK-BHIFYINESA-N 396.531 2.956 0 40 GFAB Cc1nn([C@H](C)CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(C)c1C 19556340 VMVIAXFKUTYJLE-SNVBAGLBSA-N 399.900 2.772 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)COc3ccccc3)C2)nc2c1CCCN2C 19752639 UPVKPNRPOWRDAK-KRWDZBQOSA-N 380.492 2.952 0 40 GFAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(C)=O)CC2)cc1 19757221 RIEGKTQNNMCDAO-UHFFFAOYSA-N 382.464 2.847 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)CN1C(=O)NC2(CCCCC2)C1=O 23718252 HXWLDBPJIQMOEF-UHFFFAOYSA-N 381.480 2.575 0 40 GFAB Cc1n[nH]c(C)c1CN1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 2037972576 CHNLFLLSJKIPBO-LEWJYISDSA-N 387.524 2.746 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037973536 WSCKIGAXLFCFLL-UHFFFAOYSA-N 390.443 2.601 0 40 GFAB CCC1=NS(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2N1 33249868 MJDMCDHZDWYBGT-UHFFFAOYSA-N 379.463 2.719 0 40 GFAB O=C(NC1CC1)C1CCN(c2ncc3cc(Br)ccc3n2)CC1 2086884771 WYIRPUCAHXEZFD-UHFFFAOYSA-N 375.270 2.887 0 40 GFAB Cc1cccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298117632 CMOWRCPTMXMHCJ-MRXNPFEDSA-N 379.451 2.903 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C)s1 40082099 PMXHSAHFJDAYCG-GFCCVEGCSA-N 380.857 2.752 0 40 GFAB CCN(CCNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1C 40108179 CUZMFRPFMJCPHD-UHFFFAOYSA-N 375.494 2.623 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 32059626 PLOXSAUJIKNVPQ-CYBMUJFWSA-N 383.473 2.988 0 40 GFAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl 20745559 MYOQWQNCKCOLFF-OAHLLOKOSA-N 383.235 2.547 0 40 GFAB NS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 32754840 BWMJYIYYAHSFSZ-RMKNXTFCSA-N 396.266 2.716 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2ncc(C)s2)C(C)C)c1 2661001 GNIYHWBNZVNPIU-OAHLLOKOSA-N 377.466 2.862 0 40 GFAB C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 902295 NSUPOSXSXVIISN-KRWDZBQOSA-N 393.553 2.922 0 40 GFAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 902302 SUHCIUMOUHMLGI-UHFFFAOYSA-N 393.553 2.922 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1 2618302 BZGCIDIFXSOFNA-UHFFFAOYSA-N 394.471 2.846 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)c1cccc(OC[C@@H]2CCCO2)c1 33044095 QXZZZDTXWZMAQX-IBGZPJMESA-N 378.432 2.755 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 3460044 OGWWXXZJTWAZDH-UHFFFAOYSA-N 377.780 2.915 0 40 GFAB COc1cccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)c1OC 33162021 WSMXYOOMRODXGN-WJDWOHSUSA-N 379.441 2.691 0 40 GFAB Cc1ccc2cc(CN(CCCO)C(=S)NCc3ccco3)c(=O)[nH]c2c1C 4132318 SISGSNKCPNSRDO-UHFFFAOYSA-N 399.516 2.997 0 40 GFAB CSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 4944254 ITNAGZNGPRSHEE-MRVPVSSYSA-N 384.230 2.868 0 40 GFAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 6026604 KVIVQGBYXRFHNZ-UHFFFAOYSA-N 398.532 2.964 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2)cc1C 6281285 AMWKCUSSTCONMS-UHFFFAOYSA-N 390.505 2.719 0 40 GFAB CCN(CC)C(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 6430348 UDRZSUPTENXDRU-UHFFFAOYSA-N 386.543 2.786 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccccc21 10009088 JJSAXTSXFIXUOS-MRXNPFEDSA-N 380.853 2.896 0 40 GFAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670321 IHMHLQQTDROYTA-MOPGFXCFSA-N 388.491 2.655 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)cc1 27669083 CLRVYKWWGOPKPD-FQEVSTJZSA-N 383.448 2.803 0 40 GFAB CCOc1cccc2s/c(=N/C(=O)c3cccc(S(C)(=O)=O)c3)n(C)c12 101041891 IMULWRFZZQRQBG-VHEBQXMUSA-N 390.486 2.783 0 40 GFAB COc1ccc(Oc2cc(N[C@@H](C)C(=O)N3CCNC3=O)ccc2OC)cc1 25152441 GEEXZPWUGDPMKZ-ZDUSSCGKSA-N 385.420 2.848 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCN(c2cnccn2)CC1)c1cccs1 25343977 VGQGRSQLICTCHB-UHFFFAOYSA-N 393.472 2.753 0 40 GFAB CCOc1c(Br)cc(CNc2nnnn2C)cc1Br 35287242 DDCMCAPFMDHSPL-UHFFFAOYSA-N 391.067 2.746 0 40 GFAB Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c2c(C)nn(C)c2n1 57275849 KZRDUDYHRKJKMF-HNNXBMFYSA-N 381.455 2.981 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 12554848 QBTQPVMWBPUIDE-CYBMUJFWSA-N 384.436 2.594 0 40 GFAB O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3208432 LSKXIDAEWYDCFO-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB Cc1cc(SCC(=O)NCCN2CCOCC2)c(C)cc1Br 27773392 TWQGXABDEKXUQA-UHFFFAOYSA-N 387.343 2.606 0 40 GFAB CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C)CC(=O)N21 2110950 CONFCMCCTXKQDG-AVRDEDQJSA-N 389.455 2.881 0 40 GFAB biogenic CCCNC(=O)[C@H](C)OC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10817410 SGLFOBKVVGXWKG-HNNXBMFYSA-N 382.464 2.890 0 40 GFAB O=C(Nc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1F)C1CC1 12858341 VCYMIFJIXWZHJB-CYBMUJFWSA-N 385.395 2.754 0 40 GFAB C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520878 HWTCEODDNXABOC-ZDUSSCGKSA-N 398.440 2.671 0 40 GFAB Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1F 8729093 HJIOTVGYFJUOPM-UHFFFAOYSA-N 379.457 2.743 0 40 GFAB O=C(CCc1nnc(-c2ccsc2)o1)NCc1ccc(Cn2cncn2)cc1 13002833 SDGSOGPQISJSNL-UHFFFAOYSA-N 394.460 2.687 0 40 GFAB CCOC(=O)[C@](NCc1ccccn1)(NC(=O)c1ccccc1C)C(F)(F)F 20792401 UTUHHMNJFLLBJU-SFHVURJKSA-N 395.381 2.731 0 40 GFAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)CC(C)C)cc3)nn12 408625812 ZGBUXIVDAVYZBS-UHFFFAOYSA-N 388.522 2.698 0 40 GFAB CC[C@H](C)N(C(=O)CSc1cc(C)nc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 8883798 CUUMYUPPNDUQRV-GJZGRUSLSA-N 399.582 2.815 0 40 GFAB O=C(O)/C=C/C(=O)N1N=C(c2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 13624865 VDVUGOMPHNCACZ-XTXLJPNXSA-N 395.802 2.765 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 113970869 BBUSUUKNGMEJGA-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB CCOC(=O)c1csc(N2N=C(c3ccco3)C[C@]2(O)C(F)(F)F)n1 5243939 XZIOXMAOPVZRRW-ZDUSSCGKSA-N 375.328 2.778 0 40 GFAB COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)c2c1 4487677 XOPOFHYFUCDWKN-UHFFFAOYSA-N 387.461 2.656 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1)c1cccs1 14068723 IYYYCFSHGHJMFD-SFHVURJKSA-N 399.516 2.937 0 40 GFAB COc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1 6743271 MQCGJJQQWATMGD-OAQYLSRUSA-N 393.443 2.945 0 40 GFAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccc1O 6721167 FGSGRZALFBGGJL-UHFFFAOYSA-N 376.467 2.561 0 40 GFAB CSCC[C@@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)c2ccccc2C1=O 5919089 LADXZDSXBOYKEA-INIZCTEOSA-N 398.440 2.741 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 15606938 HYELDHVVNJCPOR-UHFFFAOYSA-N 377.447 2.773 0 40 GFAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc21 15867615 KUQUULPPXSJOTG-UHFFFAOYSA-N 375.450 2.937 0 40 GFAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 9420838 FMNNKQOVDWLILO-HXUWFJFHSA-N 384.501 2.733 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 8011911 GACGUQDGQRPNJK-UHFFFAOYSA-N 385.895 2.982 0 40 GFAB O=S(=O)(c1ccc(CNCc2ccc(Cl)cc2)cc1)N1CCOCC1 17317371 CGRGMACZGUYQHG-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCN(c2ccccc2)C1=O 95465611 OUGGYMUBQWIXFM-LPHOPBHVSA-N 392.377 2.748 0 40 GFAB COc1ccc(CNC(=O)CNC2CCN(CCc3ccc(F)cc3)CC2)cc1 95967493 HKDWICIJSDXIRN-UHFFFAOYSA-N 399.510 2.747 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCn1cccn1 95998493 WWFPSBJFUWZJBN-FQEVSTJZSA-N 393.491 2.735 0 40 GFAB O=C(Nc1cccc(N2CCNC2=O)c1)c1nnn(-c2ccccc2)c1C1CC1 89853241 ILQHCGVZNNTMDL-UHFFFAOYSA-N 388.431 2.927 0 40 GFAB O=C(COc1ccc(Cl)c2cccnc12)NC1CCN(C(=O)C2CC2)CC1 43285784 GZSBVNXEXSIENA-UHFFFAOYSA-N 387.867 2.784 0 40 GFAB Cc1cc2nnc(SCC(=O)Nc3ccc(Br)cn3)n2c(C)n1 32922527 VUNQEJOJNZDEKP-UHFFFAOYSA-N 393.270 2.629 0 40 GFAB COCc1ccccc1/C=C(\C)CN1CCN(CC(=O)Nc2cc(C)on2)CC1 507066614 DBHWFLWGLXWIEE-SFQUDFHCSA-N 398.507 2.789 0 40 GFAB Cc1nc(N2CCN(C(=O)CCCc3ccccc3)CC2)cc(-n2ccnc2)n1 36705763 CPXPDJCETUKWQZ-UHFFFAOYSA-N 390.491 2.642 0 40 GFAB CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C)cc2)CC1 1521145118 MROWPHYYKDKYGT-OAHLLOKOSA-N 389.525 2.510 0 40 GFAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccccn1)CCO2 306128325 GXJLQFZZCQFHTE-XLIONFOSSA-N 386.521 2.790 0 40 GFAB COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccccn2)C[C@H]1C(C)C 30881180 UOWRXUCVBJMAOH-BJLQDIEVSA-N 387.524 2.705 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)c(C)c1 70922154 XFRIFHZRVWVZQK-UHFFFAOYSA-N 375.494 2.594 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnc(N2CCOCC2)nc1 77196623 KLWUAXANWKDEIG-UHFFFAOYSA-N 376.844 2.763 0 40 GFAB CSc1cccc(N2C(=O)C[C@@H](c3c(C)nn(-c4ccccn4)c3N)C2=O)c1 71284068 UPIVXSCLPHXDAY-HNNXBMFYSA-N 393.472 2.927 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)cc2C)ccc1C 225170719 DMYUNRKBJGXRPJ-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB COc1cccc(CNC(=O)CN(C)C(=O)c2ccc(Br)s2)c1 48370632 UVTDRRHWCWGOLK-UHFFFAOYSA-N 397.294 2.908 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccccc1Cl 223948310 SMDPKOYIIKAMMV-UHFFFAOYSA-N 384.860 2.557 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 223043769 UVWDVUDAZLXYAJ-UHFFFAOYSA-N 382.445 2.846 0 40 GFAB CCOc1ccc(C(=O)NC)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224797887 BQZGJUMXRVHASF-UHFFFAOYSA-N 380.441 2.550 0 40 GFAB COc1ccc([C@@H](CC(=O)N2c3ccccc3C[C@@H]2C)NS(C)(=O)=O)cc1 225953050 DQVQQJUSXICAHR-KBXCAEBGSA-N 388.489 2.653 0 40 GFAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96050325 CDAACOSFJVRKHB-FQEVSTJZSA-N 399.882 2.690 0 40 GFAB Cc1nc(CN2CCOC[C@]3(CCCN(C(=O)c4cccnc4)C3)C2)cs1 96229290 LBGXFIXBIXLVSP-HXUWFJFHSA-N 386.521 2.601 0 40 GFAB COc1ccc(CN2C[C@H]3CN(C(=O)c4ccc(C)cc4)CCN3C2=O)cc1 96269078 JODGWYJRHVPYMW-LJQANCHMSA-N 379.460 2.766 0 40 GFAB biogenic,in-vitro CCNC(=O)COc1ccc(CN2CC[C@@H](OCc3c(C)noc3C)C2)cc1 585084618 PVADJLQJJAIDPO-LJQANCHMSA-N 387.480 2.597 0 40 GFAB COc1ccccc1CN(C)[C@H]1[C@H](N)C[C@@H](Oc2ccccc2Cl)[C@@H]1O 257272042 NAVZTBMLGUBBHJ-XCLNPWKQSA-N 376.884 2.689 0 40 GFAB CNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 257326492 WXJUBGPLXLBXKU-JXFKEZNVSA-N 392.503 2.697 0 40 GFAB Cc1ncc(-c2cc(CC3CCN(C(=O)C4CCOCC4)CC3)ccn2)n1C 257265623 LZMXTCDCJOBHSC-UHFFFAOYSA-N 382.508 2.998 0 40 GFAB Cc1ncccc1CNC(=O)N[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1 624286633 ACLQQARCUCMHFP-UYAOXDASSA-N 377.448 2.905 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)N2CCC(C)(N3CCCC3)CC2)CC1=O 633942867 ZVTAMXFXJBRPEF-KRWDZBQOSA-N 385.508 2.525 0 40 GFAB CCN(CC)Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)o1 647231461 BBBWMNHUTNZVLX-IBGZPJMESA-N 383.492 2.695 0 40 GFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OCO)[C@@H]1c1cccc(Cl)c1Cl 390823049 RALOIFMNDGJUPL-CQSZACIVSA-N 386.231 2.894 0 40 GFAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)Nc4cn[nH]c4)CC3)n2)cc1 57029621 PAWUIKDIVVRQOI-AWEZNQCLSA-N 381.440 2.679 0 40 GFAB COC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1615852332 BSANTGKYMJYCDU-INIZCTEOSA-N 392.452 2.665 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)cc1OC 12085229 MHGCPAZTEOJULR-AWEZNQCLSA-N 399.476 2.724 0 40 GFAB O=C(c1cccnc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 12157005 UNDLYTKWGGMFSK-QGZVFWFLSA-N 395.434 2.695 0 40 GFAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)c(C)c1C 13008968 CZBJQEFFRVXYRM-UHFFFAOYSA-N 394.454 2.689 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc2c(c1)OCCO2 14399518 UZDZXGQRUWQCPL-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccn1 16756017 LJJDPVSOGACFJB-UHFFFAOYSA-N 376.445 2.938 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 19559418 XKCVNAKYUNGOBC-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O 19579515 GNKFUVRWSNQCMX-CYBMUJFWSA-N 379.464 2.516 0 40 GFAB CN(C[C@@H]1OCCc2ccccc21)C(=O)COC[C@H]1COc2ccccc2O1 19586054 LVMHINAQNHCGMV-UWJYYQICSA-N 383.444 2.615 0 40 GFAB Cc1c(C(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)oc2ccccc12 19709254 YUMDQKBIPJBUGP-INIZCTEOSA-N 393.491 2.840 0 40 GFAB O=C(CN1CCN(c2ccc3c(Cl)cccc3n2)CC1)Nc1nncs1 526951361 MZHBNWJZJNVINB-UHFFFAOYSA-N 388.884 2.500 0 40 GFAB C[C@@H](NC(=O)C(=O)NCCc1ccc(-c2cnn(C)c2)cc1)c1ccccc1 1889271554 FSQZHJABWQVRJE-MRXNPFEDSA-N 376.460 2.623 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1OC 253474957 MFOJTRGCSTYDBP-SXAWMYDMSA-N 378.432 2.866 0 40 GFAB COc1cnc(O[C@H]2CCN(c3ncc(Br)cc3Cl)C2)nc1 2087065709 HSODBGRAMKFGKJ-JTQLQIEISA-N 385.649 2.954 0 40 GFAB COc1ccc(-c2nnc3ccc(SCC(=O)NC4CCCC4)nn23)cc1 4164957 KBOKIZNQIYVTMS-UHFFFAOYSA-N 383.477 2.951 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373979 JBIHRQITPZDELH-MRXNPFEDSA-N 380.423 2.954 0 40 GFAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4)nc32)c1 4940445 WSFVJZKSIZVTHI-UHFFFAOYSA-N 395.806 2.537 0 40 GFAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc1 8602054 MNFXHPANZJBBQS-UHFFFAOYSA-N 376.416 2.751 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cn1 2055729894 YUTAZIYFLMJBCP-YIFZBPKDSA-N 394.475 2.824 0 40 GFAB CC1=N[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 19933528 ZMCDKRVOHFIGTM-KRWDZBQOSA-N 376.338 2.531 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679727 OKNWBTNROPOPHF-GDBMZVCRSA-N 398.488 2.824 0 40 GFAB CCc1nc(-c2ccc(N3CCN(C(=O)c4sc(C)nc4C)CC3)nc2)no1 44094872 LBZLRHSWBBMVQO-UHFFFAOYSA-N 398.492 2.730 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](n2cnc3ccccc32)C1 575617302 NLVQIHHEYCMGIU-MRXNPFEDSA-N 387.443 2.610 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)n2cccn2)c(C)c1 575614652 ZTODWFJYKLOFOS-MRXNPFEDSA-N 377.491 2.830 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCC(Oc3ccnc(C)n3)CC2)n[nH]1 585334751 XJJBRWIMKPMYNL-UHFFFAOYSA-N 393.447 2.867 0 40 GFAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccc(Cl)cc1 4852276 MDTGFOIZUMOAPT-UHFFFAOYSA-N 385.811 2.586 0 40 GFAB C[C@H]1CCc2nn(CC(=O)Nc3ccc(Br)cc3)c(=O)cc2C1 21110660 GFJKSLFOBCDATF-NSHDSACASA-N 376.254 2.769 0 40 GFAB O=C(NCc1ccc(Cn2ccnc2)cc1)NC[C@@H]1COc2ccccc2O1 40071247 YWGCYUFEZPHLMW-GOSISDBHSA-N 378.432 2.571 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)CC2=O)c1 30660338 SOKCPLLDSRHZGG-AWEZNQCLSA-N 378.432 2.583 0 40 GFAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)[nH]n2)cc1 21752605 IIHPBOIYKDCULL-ZDUSSCGKSA-N 392.415 2.668 0 40 GFAB C[C@H](OC(=O)CCNC(=O)c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 21747168 GIDITEYCFNRYDT-YOEHRIQHSA-N 384.432 2.525 0 40 GFAB Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)oc2c(Cl)cccc12 32966972 SDIPFOJWJMLNST-OAHLLOKOSA-N 376.840 2.858 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnc3nc(O)c(C(C)(C)C)nn23)c1 4251443 STCXQWWQTYBLIZ-UHFFFAOYSA-N 386.481 2.870 0 40 GFAB O=C1N[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269955 BPVKQRQJQSDSDR-DVOMOZLQSA-N 399.756 2.839 0 40 GFAB CCN1CCN(Cc2ccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)cc2)CC1 41617851 INCQQBQDYQQVEG-UHFFFAOYSA-N 390.487 2.918 0 40 GFAB CCCn1nnnc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 6462641 KKTMNECLCYKRHH-UHFFFAOYSA-N 396.476 2.789 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCCCC1)NC2=O 100181310 AHJAKLFIJVEYSA-HIWACDCLSA-N 384.476 2.962 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 8748956 NAZWZOLHWSLRQH-NSHDSACASA-N 384.807 2.600 0 40 GFAB CCN(C(=O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1=CCCC1 22931980 RHVPMPGDIHEQGF-UHFFFAOYSA-N 398.551 2.776 0 40 GFAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 23081308 AFDQOUGZSKKARI-SNVBAGLBSA-N 391.474 2.850 0 40 GFAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nc(-c2ccncc2)cs1 61720308 PYGZTZQQKLYAAQ-UHFFFAOYSA-N 379.401 2.661 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CC1 12597982 NIJNBKKNAORFAE-UHFFFAOYSA-N 398.488 2.636 0 40 GFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 55252393 UOSCLERFAYGGDM-LJQANCHMSA-N 394.427 2.794 0 40 GFAB COc1ccc([C@H](CNC(=O)C2CCCCC2)N2CCOCC2)cc1OC 24842818 PBFLZNOEFRBVGS-SFHVURJKSA-N 376.497 2.774 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](C)CCC(C)C)cc1 34799555 YQVJNJFIVRFHMP-QAPCUYQASA-N 382.526 2.789 0 40 GFAB CCNC(=O)CSc1nnc([C@H](CC)N(C)C)n1-c1ccc(OC)cc1 25756853 PCPKLBQVGHHGMV-HNNXBMFYSA-N 377.514 2.517 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cccc(I)c1 100237353 MHPWIUHQCRHJIL-MBIARJLFSA-N 391.208 2.849 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCCC1=CCCCC1 3261224 CQUKVPKXDIGITK-FQEVSTJZSA-N 386.492 2.991 0 40 GFAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1986380 IOQZQRMBYOPADV-SJLPKXTDSA-N 380.444 2.914 0 40 GFAB OC[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2ccc(O)cc2)C1 100754038 WFWWFFOEEJSPPL-CSODHUTKSA-N 380.492 2.653 0 40 GFAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccoc1 24935882 MXPGNSINXAXSPT-UHFFFAOYSA-N 377.447 2.926 0 40 GFAB CNC(=O)C1CCN(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 28903473 PBJVUVKIWAEADA-FQEVSTJZSA-N 385.533 2.802 0 40 GFAB Cc1cc(=O)c(C(=O)NCCc2cnn(-c3ccccc3)c2)nn1-c1ccccc1 11532337 GPDXJJLLNXBTQE-UHFFFAOYSA-N 399.454 2.699 0 40 GFAB C[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)c1cccc(Cl)c1 12856486 XEDWTJSNTUOYKJ-LBPRGKRZSA-N 384.819 2.944 0 40 GFAB COc1ccccc1C(=O)N[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)C(C)C 12822538 VNHWDOJKBBCFFH-HXUWFJFHSA-N 394.475 2.685 0 40 GFAB COc1ccc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)cc1Cl 12911421 FAVWNYKRXRPEFX-UHFFFAOYSA-N 393.896 2.807 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1 12971995 ZRCUTVNMMKHEKI-CYBMUJFWSA-N 379.888 2.538 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(CN2CCCC2)CC1 49074140 PGFNWMGDSOZUNF-HXUWFJFHSA-N 389.515 2.915 0 40 GFAB COc1ccc(OC)c(-c2cc3ccc(OS(C)(=O)=O)cc3oc2=O)c1 4085435 JSCQJFTYEZUMJR-UHFFFAOYSA-N 376.386 2.816 0 40 GFAB biogenic COc1ccccc1CC(=O)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 6200385 OTUKZCLHBYHZMC-MRXNPFEDSA-N 394.427 2.651 0 40 GFAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(F)c(F)c1F 6649546 HNUUORPCKCPJRK-QMMMGPOBSA-N 391.305 2.524 0 40 GFAB COc1ccc(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 6602778 UKPSFBBKYYZDLB-UHFFFAOYSA-N 382.416 2.545 0 40 GFAB COc1ccc(-c2noc(CN(C)C(=O)COc3cccc(OC)c3)n2)cc1 4943643 ZWHLSHWBEREXME-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 4902286 NGWRWFRPLXZCLD-UHFFFAOYSA-N 379.869 2.774 0 40 GFAB COc1ccccc1-n1ccn(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c1=O 67256450 SEFUBVUNUHVVLL-UHFFFAOYSA-N 393.443 2.770 0 40 GFAB O=C(Nc1cccnc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 7737244 LOEJUIJZNOWRJL-SFHVURJKSA-N 399.447 2.749 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 7951685 NJXIBDCOQJJPHH-HNNXBMFYSA-N 392.502 2.990 0 40 GFAB CCc1ccc(NC(=O)CN(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 7907339 YWSPADJHYJSJOB-UHFFFAOYSA-N 397.475 2.919 0 40 GFAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3cc(OC)ccc3OC)N2C1=O 16735742 XSFUZZRMMUUWCG-ZBFHGGJFSA-N 390.461 2.916 0 40 GFAB CC(C)(C)n1c(NC(=O)CCc2nc(-c3nc[nH]n3)no2)nc2ccccc21 72278386 GVMCPPVEAFWAPV-UHFFFAOYSA-N 380.412 2.531 0 40 GFAB CN(Cc1ccc[nH]1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 89360995 VUAXEQGOFGKESR-UHFFFAOYSA-N 381.885 2.725 0 40 GFAB CCN(CC)[C@@H](CNS(=O)(=O)N1CCCCCC1)c1cccc(OC)c1 23434458 IJQFNHBOBYCLOI-IBGZPJMESA-N 383.558 2.789 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C 20016180 ADTUFZXBBKTEKO-LLVKDONJSA-N 384.404 2.587 0 40 GFAB Cc1cc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)n2ncnc2n1 35310955 FDCBUJCZORBTPI-UHFFFAOYSA-N 384.871 2.619 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1C 36614664 MRCLCYIZHVQASL-UHFFFAOYSA-N 396.944 2.680 0 40 GFAB COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1cc(C)nn1C1CCOCC1 529451147 HGOFEEDIWPYNPS-QGZVFWFLSA-N 393.871 2.668 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)c(C)c1 36633953 YCJXZWJMOISLLC-HXUWFJFHSA-N 381.451 2.897 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1C 36633956 QGUNJTDIWRNOOD-HXUWFJFHSA-N 381.451 2.897 0 40 GFAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 72358034 TYOFISGDUBJBOX-NRFANRHFSA-N 395.503 2.677 0 40 GFAB C[C@](O)(CNS(=O)(=O)c1ccc(Br)s1)c1cccs1 77186784 MCNQVPPELGJWNY-NSHDSACASA-N 382.326 2.758 0 40 GFAB Cc1ncccc1Oc1nccnc1C1CCN(C(=O)c2cnccn2)CC1 72383774 ZZMSIAQBHMYTMA-UHFFFAOYSA-N 376.420 2.782 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)NCc2nnc3ccccn23)c(Br)c1 40143893 PUQUORJEWYCVCC-LBPRGKRZSA-N 389.253 2.884 0 40 GFAB Cc1ccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)c(Cl)c1 224230326 WTLNIKLSAGPORS-UHFFFAOYSA-N 375.860 2.905 0 40 GFAB CSc1ncccc1C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099499 INJANWZZVGWSBW-UHFFFAOYSA-N 380.491 2.616 0 40 GFAB O=c1[nH]c2cc3c(cc2c(-c2cccc(F)c2)c1CN1CCOCC1)OCCO3 98086837 CRLYQAKFXACEIY-UHFFFAOYSA-N 396.418 2.938 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCCC1=CCCCC1 96343615 MROVMVWVDLZKJJ-LJQANCHMSA-N 381.476 2.645 0 40 GFAB C[C@H](NC(=O)c1ccnc2c1ncn2C)c1cc(F)ccc1N1CCC(O)CC1 585083065 MLKKVNBSRLPNCJ-ZDUSSCGKSA-N 397.454 2.560 0 40 GFAB CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc1C 257314880 UYYAPALJHMPSSM-KRWDZBQOSA-N 395.507 2.577 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(Cc3cccnc3)CCN21 253395780 CNASCUJHZAGLDB-SFHVURJKSA-N 382.483 2.642 0 40 GFAB biogenic,in-vitro O=C(Cn1ccnc1)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 257300228 RTOYBNRZILPDBX-IEBWSBKVSA-N 375.856 2.766 0 40 GFAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C3CCOCC3)CC2)nn1C 257238065 HJLGHZBBCJXSRH-IYARVYRRSA-N 376.545 2.783 0 40 GFAB CC(C)Cc1ncc(-c2nccnc2[C@H]2CCCN(S(C)(=O)=O)C2)s1 257226479 FKTNPAPQRMHPIC-ZDUSSCGKSA-N 380.539 2.938 0 40 GFAB CC(=O)N1CC[C@@H](NC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)C1 621466694 CRRFWHPCYVPLEI-OAHLLOKOSA-N 399.413 2.927 0 40 GFAB Cn1cnc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1=O 635686800 IQILXYHGXVCVOE-UHFFFAOYSA-N 396.274 2.909 0 40 GFAB N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3coc(-c4c(F)cccc4F)n3)C2)C1 653182737 WRGOYFXBOVXVKN-AHIWAGSCSA-N 391.418 2.978 0 40 GFAB CCN1CCO[C@@H](CNC(=O)Nc2cnc3c(c2)COCC3)[C@@H]1c1ccccc1 666597676 UFVJHGQKULGFRU-SFTDATJTSA-N 396.491 2.738 0 40 GFAB CCOc1ccccc1NC(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 90607213 SKPUGXKXIRUISJ-UHFFFAOYSA-N 393.447 2.723 0 40 GFAB CCCn1c(=O)c2sccc2n2c(=O)n(CC(=O)c3cc(C)ccc3C)nc12 96321846 KVZISRSXNDKCGO-UHFFFAOYSA-N 396.472 2.782 0 40 GFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn([C@@H]2CCOC2)c1 96123296 QFNFDTACKUWYLC-CQSZACIVSA-N 375.372 2.805 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NC[C@@](O)(c3ccco3)C3CC3)CC2=O)cc1C 77099465 BFNQQFVXYSASRR-ZHRRBRCNSA-N 382.460 2.663 0 40 GFAB CCOc1c(Br)cc(Br)cc1CNn1cnnc1 7541638 ROZACHYIJFLZSY-UHFFFAOYSA-N 376.052 2.946 0 40 GFAB CN(C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1)c1ccccc1 5143882 LCDVWQOQTNCGEZ-UHFFFAOYSA-N 389.506 2.599 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCCN21 5204330 PECOTYWKYPEQDY-OKYOBFRVSA-N 378.403 2.661 0 40 GFAB COC(=O)C[C@H](CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1 5515511 RXURWQNLJWCOMM-QFBILLFUSA-N 398.459 2.764 0 40 GFAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@H](C)C4)ncc32)on1 13225909 LPTLSOANZWMVBV-IIAWOOMASA-N 399.495 2.830 0 40 GFAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)O)cc2oc1=O 16042715 RTLPAGCOGXXQDI-CZUORRHYSA-N 375.421 2.793 0 40 GFAB biogenic COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccccc1 16576810 PIMGFQXJVAHNFI-CYBMUJFWSA-N 396.896 2.847 0 40 GFAB O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19373684 HPQXECGUGBFLGQ-CYBMUJFWSA-N 377.447 2.560 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)ccc2O1 19497984 PHSKCVOYJXGFED-HNNXBMFYSA-N 392.503 2.808 0 40 GFAB Cc1cc2cc(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)ccc2o1 19709261 ZNQKIUGOGPXQRT-QGZVFWFLSA-N 393.491 2.840 0 40 GFAB Cn1cc(-c2nc(C(=O)N3CCC[C@@](CO)(c4ccccc4)C3)cs2)cn1 513109817 GDASYBGFXXVTOU-HXUWFJFHSA-N 382.489 2.710 0 40 GFAB FC(F)(F)c1ccc(N2CCN(C3CCN(C4CCOCC4)CC3)CC2)nc1 245053496 OWUPSGBJXUHBRL-UHFFFAOYSA-N 398.473 2.866 0 40 GFAB COc1cccc(C(=O)N2CC(n3nc(-c4ccccc4OC)ccc3=O)C2)c1 1888944425 NRKJOBBAHKBQCU-UHFFFAOYSA-N 391.427 2.625 0 40 GFAB O=C(c1ccncc1F)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889125149 SDCMCKSTDJJBRP-IAQYHMDHSA-N 380.345 2.985 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889205583 MTUXAYDAOSYNCY-CJNGLKHVSA-N 397.422 3.000 0 40 GFAB CC(=O)Nc1ccc(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 25243392 BRSHBIYZIKLKIX-UHFFFAOYSA-N 394.406 2.568 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)C[S@@](=O)C3)cc1 2724851 NPQKRQXXWKJMDN-NDEPHWFRSA-N 399.447 2.964 0 40 GFAB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 4250838 VMDJGIGHMRWGOD-UHFFFAOYSA-N 397.454 2.941 0 40 GFAB COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)cc1 5168340 LZEHOXWWFGMRNW-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CCCCC1 5201406 MNWKYDQTXUXTOK-OAHLLOKOSA-N 387.480 2.927 0 40 GFAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NC1CC1)c1ccc2c(c1)OCO2 9105003 MMJAQRNMMYHBFF-GFCCVEGCSA-N 385.445 2.823 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 13704832 IPTHKUTTXAHQEG-UHFFFAOYSA-N 398.488 2.840 0 40 GFAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCC(O)CC3)c(O)n2n1 22855208 ZIKJGAPWDIBKDR-INIZCTEOSA-N 388.493 2.614 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1775968367 DFEDTEJESBBNIV-AWEZNQCLSA-N 386.429 2.805 0 40 GFAB CCCCOC(=O)c1ccc(NCN2C(=O)c3ccccc3S2(=O)=O)cc1 27024058 FHGLOZCUGVFVAT-UHFFFAOYSA-N 388.445 2.858 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)c3sc(-n4cccc4)nc3C)C2)cc(=O)o1 206966623 GUMZYWFZZQNVOL-CQSZACIVSA-N 385.445 2.797 0 40 GFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)NCc1cccs1 206804008 NZAGAIULQBJGSC-SWLSCSKDSA-N 378.425 2.792 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(-n2cccn2)nc1 40042875 KDTUNFYJWXFYDS-LJQANCHMSA-N 392.463 2.730 0 40 GFAB Cc1ccc(S(=O)(=O)/N=c2\c3ccccc3[nH]c(=O)n2-c2ccccc2)cc1 100139910 YQWVWHUOOUHLKO-BSYVCWPDSA-N 391.452 2.917 0 40 GFAB CC(C)(C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)c1ccccc1 31244714 HQMUDLUDLVZYIK-UHFFFAOYSA-N 376.460 2.825 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)c1 32764720 YDYDBNMPQJXSNU-UHFFFAOYSA-N 380.444 2.643 0 40 GFAB CC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1 29737346 JZMDUWZXDRPGDH-UHFFFAOYSA-N 391.265 2.672 0 40 GFAB Cc1ccc(OCCCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 32901176 YHLDRAJAWFKHDS-UHFFFAOYSA-N 396.487 2.943 0 40 GFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCCCC1 2938203 VRYIADFHRIGOOG-IBGZPJMESA-N 390.480 2.728 0 40 GFAB CCOCCCn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O 2973351 SASRPRMROKCAHJ-UHFFFAOYSA-N 375.494 2.538 0 40 GFAB CC(=O)Nc1ccc(F)c(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 52976343 BJVPYLYDOVLBLQ-UHFFFAOYSA-N 375.444 2.649 0 40 GFAB CCc1ccc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)cc1 6800383 UIHKCCUHPXZQAA-UHFFFAOYSA-N 375.475 2.812 0 40 GFAB CCCc1cc2c(=O)n(NC(=O)c3c(Cl)c(C)nn3C)c(C)nc2s1 2779537 KOXYPSZYUQUQRI-UHFFFAOYSA-N 379.873 2.798 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2C(N)=O)cc1 8157376 YKNHBQDBFDPYDE-GFCCVEGCSA-N 386.477 2.875 0 40 GFAB COc1ccc(CN(C)C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1F 23296969 VCRFMDVBCKKRPW-UHFFFAOYSA-N 389.452 2.881 0 40 GFAB O=C1C[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2N1 24148948 VFANKRAQCSINSY-LJQANCHMSA-N 381.451 2.638 0 40 GFAB CCC(=O)c1ccc(OCC(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1 24701893 ORQORYPVKKTUOQ-UHFFFAOYSA-N 395.459 2.930 0 40 GFAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 113957332 BAZGPSJDJUUXTJ-OLZOCXBDSA-N 382.432 2.997 0 40 GFAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccco1 57487117 CDPVYBCDNNYKBR-UHFFFAOYSA-N 392.371 2.843 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1 1962004 CFKNONKRKITCAK-UHFFFAOYSA-N 387.388 2.676 0 40 GFAB CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 3210046 VMVXIIYQSJMDRI-UHFFFAOYSA-N 392.502 2.990 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)NCc1nnc2ccccn12)c1ccc(Cl)cc1 48021813 ZZMLDRNCXFQPIZ-KRWDZBQOSA-N 395.854 2.705 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 58135116 FMWGGVRRNSPOCE-XNTDXEJSSA-N 399.516 2.552 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 84200430 VLMQTZMMCDWXQF-AWEZNQCLSA-N 391.493 2.891 0 40 GFAB CC1CCN(C[C@H]2CCCN(C(=O)[C@H](C)NC(=O)c3cccs3)C2)CC1 58330988 XOJZTQDRCZLVLE-DLBZAZTESA-N 377.554 2.837 0 40 GFAB CCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 2273238 FMDUJJSTIPLBKE-UHFFFAOYSA-N 375.444 2.829 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc(F)c(F)c1 25892211 MDHDTHJDCAUWCG-UHFFFAOYSA-N 382.388 2.666 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 45603152 CRPKFFCUQNGYGR-UHFFFAOYSA-N 390.889 2.868 0 40 GFAB CNc1nnc(SCCS(=O)(=O)c2ccc(Br)cc2)s1 11541474 MJZRKCNBVUWOKD-UHFFFAOYSA-N 394.341 2.908 0 40 GFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)C1 48356261 MOTBFXWKWCZGSS-IRXDYDNUSA-N 383.492 2.804 0 40 GFAB CN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 59773638 ZHBCOBNIRADZTR-UHFFFAOYSA-N 395.440 2.908 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1C 12805273 NIFUYQNHOFFPKO-UHFFFAOYSA-N 386.517 2.745 0 40 GFAB O=C(CN1CCC[C@@H]1c1cccs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12927718 ZXGFPHWWYVMIKD-IAGOWNOFSA-N 396.578 2.843 0 40 GFAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(OC(F)F)cc1 12980083 JBQIESYHLYMRCX-JTQLQIEISA-N 393.346 2.963 0 40 GFAB CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 12933052 FQTSRVCPNCVPRP-UHFFFAOYSA-N 393.534 2.715 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 13098104 IJTHPSYHRBTSIS-QFIPXVFZSA-N 378.476 2.542 0 40 GFAB Cc1ccc(N)cc1S(=O)(=O)Nc1ccc(I)cc1 3885516 OFXIXSNOPUZXRP-UHFFFAOYSA-N 388.230 2.983 0 40 GFAB COc1cc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1O 4090873 HWNQLJZAUDPNGG-LKUPDRCFSA-N 380.400 2.707 0 40 GFAB biogenic CCOc1ccccc1/C=c1\sc2nc(-c3ccccc3OC)nn2c1=O 13511802 JAQOIJMHUAVDSK-ATVHPVEESA-N 379.441 2.773 0 40 GFAB CCOC(=O)NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 6087586 SMQLIQMLWKMYNP-UHFFFAOYSA-N 375.381 2.537 0 40 GFAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CCCOC)C1=O 409230661 FCNQYOQJLKTMNL-RVDMUPIBSA-N 379.434 2.701 0 40 GFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCS(=O)(=O)N2CCc3ccccc32)C1(C)C 65496079 KLHZQSKZVUIREO-AEFFLSMTSA-N 376.522 2.734 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)cc1 6563122 SCGQRHGURMXRJU-NVXWUHKLSA-N 384.775 2.558 0 40 GFAB Cc1nc(Cc2nnc(SCC(=O)c3ccc4[nH]c(=O)oc4c3)o2)cs1 6852691 YHZGCTHOMQXOGX-UHFFFAOYSA-N 388.430 2.835 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c(OC)c1 17919851 GSHRHPPONJNMMF-UHFFFAOYSA-N 396.443 2.625 0 40 GFAB O=C1NC(=O)c2cc(NC(=O)N3CCc4cc(Br)ccc43)ccc21 66887952 VTMVKOBWXSLEDE-UHFFFAOYSA-N 386.205 2.927 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 20631956 JZOOHVHTKPRHKQ-UHFFFAOYSA-N 388.445 2.510 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 15603679 YFWDZECWUJYQDP-ZDUSSCGKSA-N 379.420 2.739 0 40 GFAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccncc1 18207238 HJZVVGUFOGSDAM-ZAYGCWILSA-N 395.418 2.619 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 9090150 NFIVBYMHWWZZBB-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB COc1ccc2nnc(CCCC(=O)Nc3ccc(OC)c(Cl)c3)n2n1 71285263 GXLFQVLRXBEMIN-UHFFFAOYSA-N 375.816 2.756 0 40 GFAB Cn1ccnc1[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1F 9115445 AFJLBFZRYQMGTD-INIZCTEOSA-N 381.379 2.905 0 40 GFAB CCc1nc2cc(S(=O)(=O)NCCCCN3C[C@H](C)O[C@H](C)C3)ccc2o1 96007747 PWLSRWOULHZVNZ-GASCZTMLSA-N 395.525 2.558 0 40 GFAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)n1C)C(=O)NC(N)=O 9367276 DPNWXMUTYGPOTI-MRVPVSSYSA-N 383.271 2.525 0 40 GFAB COCc1nc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cs1 65065834 OPUKDVVXAZGXGQ-UHFFFAOYSA-N 377.491 2.984 0 40 GFAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1ccco1 408577129 YPCBHFQAEXSZDZ-UHFFFAOYSA-N 393.443 2.746 0 40 GFAB CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1cc(C3CC3)on1)C2 306128741 HJHHLILKSBRDBB-MRXNPFEDSA-N 396.491 2.700 0 40 GFAB Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(C)n3C)c2c1C 23909218 OJLHNEMYWGGTBT-UHFFFAOYSA-N 390.538 2.728 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CC)C2)cc1C 408559037 VDSSUEHZWGABTC-HZPDHXFCSA-N 382.526 2.709 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccsc4)C[C@H]2S3(=O)=O)cn1 306124595 BTZKUSIZPJZWOB-PKOBYXMFSA-N 385.514 2.904 0 40 GFAB CC(C)c1cc(O)c(I)cc1Oc1cnc(N)nc1N 34809223 QHEAZCABDDLXHC-UHFFFAOYSA-N 386.193 2.867 0 40 GFAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 36395157 XFPVDSLSAGUUEU-WMLDXEAASA-N 397.441 2.512 0 40 GFAB Cc1ccc([C@@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1C 72344551 LBRDXZBYXKZNFQ-NRFANRHFSA-N 383.536 2.767 0 40 GFAB C[C@H]1CN(c2nccc(CN3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@@H](C)O1 72348157 FFVWDYBAQAAGGR-HDICACEKSA-N 399.514 2.547 0 40 GFAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218110131 KXIVXQSPCJRQCT-QHAWAJNXSA-N 389.517 2.925 0 40 GFAB COC(=O)c1cccc(Cn2c(=O)nc3n2C(=O)N(c2ccc(Cl)cc2)C3)c1 40288521 MIAHWXUZVXGQMA-UHFFFAOYSA-N 398.806 2.521 0 40 GFAB Cc1noc(C23CC(CN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)C3)n1 528910747 UYLDVDNOYGHHBE-UHFFFAOYSA-N 383.330 2.867 0 40 GFAB COc1ccc2cc(C(=O)N3CCC[C@@H](Oc4cncc(OC)n4)C3)[nH]c2c1 225498867 YGKULHQBLAXFCS-OAHLLOKOSA-N 382.420 2.659 0 40 GFAB CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(-n3cccn3)cc2)s1 225674787 GPHGCRUYQLXBGV-UHFFFAOYSA-N 375.475 2.657 0 40 GFAB CC1(C)CCc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc2O1 223705079 QHGJITRWNXDXOO-UHFFFAOYSA-N 375.446 2.997 0 40 GFAB CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)n[nH]2)c1C 96125622 OMWBHPIRMTYQED-VQIMIIECSA-N 384.528 2.904 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCc2cccnc2)Oc2ccccc21 247466500 CSOMFKMFUCXVEM-IRMTXWDGSA-N 377.444 2.653 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1[C@H]3CCCC[C@H]31)C2 247918631 GKJDDDHZQNKCGK-BWPNAZKDSA-N 382.508 2.871 0 40 GFAB CCN(C(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1)C1CCN(C)CC1 248147673 SJTCBZRVBOIBSN-OOIKZJQMSA-N 382.504 2.989 0 40 GFAB COC(=O)c1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 254827210 LINGVUJLXQASRV-UHFFFAOYSA-N 397.843 2.806 0 40 GFAB COCCN1C(=O)C[C@H](CNc2ccc3ccccc3n2)[C@H]1c1cnn(C)c1 664113576 BIYMDNJGTUIGHT-IERDGZPVSA-N 379.464 2.616 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)OC 96385221 CPJXSPMLVCYHJN-MRXNPFEDSA-N 380.803 2.930 0 40 GFAB Cc1c(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)cnn1-c1ccccc1 390826459 LVFKMGPEPWLJIV-UHFFFAOYSA-N 397.460 2.564 0 40 GFAB COCCOC(=O)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O 585105932 ZZXSLIGIGCINAW-UHFFFAOYSA-N 386.492 2.847 0 40 GFAB COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc([N+](=O)[O-])c1O 15260399 NVSJWISXPNHBSK-GHXNOFRVSA-N 377.422 2.699 0 40 GFAB CCOC(=O)[C@H]1C[C@]2(C)[C@@H](O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 1547139846 ZJRZYKZLCWIHRO-LXZJYRNTSA-N 395.521 2.631 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C)c(OC)c1 5351445 YEHPZQFZQYLLJC-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 13576189 YYRKTOXXDWIDNM-JJNNYRRPSA-N 389.883 2.515 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1 14673699 WTVIAEPQITWOKK-UHFFFAOYSA-N 392.459 2.907 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCCc1ccc(OC(F)F)cc1 15099133 JKFJYYQMJGXUBD-UHFFFAOYSA-N 390.386 2.762 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15686308 MFQDCAIXNTVMBR-MRXNPFEDSA-N 388.489 2.507 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cc1 19022292 RGJKFHKLIRVOIQ-UHFFFAOYSA-N 392.459 2.662 0 40 GFAB O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ccc(N2CCCCC2)cc1 19716078 RFVHQEMCVBHIKY-QFIPXVFZSA-N 394.519 2.875 0 40 GFAB Cc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1S(=O)(=O)N1CCCC1 19718420 JUDLTUCPEMETSI-UHFFFAOYSA-N 398.488 2.919 0 40 GFAB NC(=O)N1CCC(C(=O)N=c2sccn2Cc2cccc3ccccc23)CC1 606442399 IQHMGAVHIVOSJJ-UHFFFAOYSA-N 394.500 2.969 0 40 GFAB O=C(c1ccccc1F)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 12258540 CNISLDQXNIGZFE-UHFFFAOYSA-N 379.395 2.798 0 40 GFAB Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1C[C@@H]3CCCCN3C1=O)C2 661298285 AXAWJMGAWMYBQX-DZGCQCFKSA-N 392.297 2.936 0 40 GFAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccc(C)s1)CC3 19217254 OVHIDDITJQUYPT-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB Cc1nc(C)c(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)s1 1888876466 UOTXFYPDIHCPLX-ROUUACIJSA-N 391.562 2.654 0 40 GFAB Cc1cc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)nc(C2CC2)n1 1888906322 CTFATOFGPISIGD-UHFFFAOYSA-N 390.495 2.582 0 40 GFAB O=C(NCC1(N2CCOCC2)CCSCC1)C12CC3CC(CC(C3)C1)C2 1888906701 SRYZILBCKZJQCH-UHFFFAOYSA-N 378.582 2.917 0 40 GFAB COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)c(OC)c2c1OCO2 85412105 MYMFGDJKSZNESN-LBPRGKRZSA-N 397.387 2.744 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCO3 4348723 YOQGGDROMYJHCD-UHFFFAOYSA-N 390.442 2.828 0 40 GFAB C[C@H]1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 5087060 IPMHHNBOQSDHJS-INIZCTEOSA-N 381.476 2.847 0 40 GFAB Cc1cc(=O)n2c(-c3ccc(NS(=O)(=O)c4cccnc4)cc3)csc2n1 11696423 CRTFYSBBVLEFMC-UHFFFAOYSA-N 398.469 2.927 0 40 GFAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1OC 11694812 FKIIGMYGMSPYQL-UPRAQXHNSA-N 393.447 2.954 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cc2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)CC1 35592854 OBYFIXISTBSZRA-AWEZNQCLSA-N 399.447 2.508 0 40 GFAB COc1ccc(C)cc1NC(=O)C1CN(c2cc(-n3nc(C)cc3C)ncn2)C1 575609586 NGUGQOPRAPKXLS-UHFFFAOYSA-N 392.463 2.671 0 40 GFAB COc1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)CC(C)C)C2)c(OC)c1 585146945 XNWRIVNEMTUFOG-OAHLLOKOSA-N 384.498 2.771 0 40 GFAB CC(C)CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 585146958 ZRZYNSHQIGBGSR-INIZCTEOSA-N 393.958 2.705 0 40 GFAB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)c(C(=O)O)c1 226857855 DHOZBMQJUKBLCK-UHFFFAOYSA-N 377.418 2.997 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968050 NZWMPGZNFVIBTQ-HXUWFJFHSA-N 375.490 2.888 0 40 GFAB CCOC(=O)c1cccc(NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 16041936 QFRIMFRVCAMVAJ-GOEBONIOSA-N 397.500 2.841 0 40 GFAB biogenic CN(C(=O)C1(c2ccc(Br)cc2)CCC1)[C@@H]1CCS(=O)(=O)C1 40051597 LBQSEKLPOQQWQM-CQSZACIVSA-N 386.311 2.516 0 40 GFAB NC(=O)c1cc(-c2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)c[nH]1 40042949 DFTGXJRQNNAJNK-UHFFFAOYSA-N 384.417 2.537 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCC2)cc1Cl 20068906 YQHLJODUJJFQKF-LSDHHAIUSA-N 393.900 2.630 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116751 WTAYWIKLUMNMJG-GTNSWQLSSA-N 385.386 2.633 0 40 GFAB COc1ccc(Oc2ccc(CNC(=O)[C@H](C)NC(=O)c3ccoc3)cn2)cc1 40154779 MJOHHXBJJVGQIQ-AWEZNQCLSA-N 395.415 2.910 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2F)C1 40154412 NHMQADPLAVDDIB-OAHLLOKOSA-N 390.480 2.894 0 40 GFAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 40149572 YNFLJPWBOCSBJZ-LJQANCHMSA-N 380.492 2.699 0 40 GFAB CCc1nnsc1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 31493289 WJVCWWNQNOTCMX-UHFFFAOYSA-N 385.415 2.867 0 40 GFAB COc1ccc(C)c(NC(=O)Cn2c(C)cc3nc4sc(C)nn4c(=O)c32)c1 51357394 ZBPKQLBFXUHTMR-UHFFFAOYSA-N 397.460 2.678 0 40 GFAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc2ccccc2cc1O 32071261 WZIQVWMKDCUBFI-UHFFFAOYSA-N 396.468 2.668 0 40 GFAB Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 21326516 OTAFAHAMUAMKDZ-ZDUSSCGKSA-N 381.461 2.794 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1 2662306 LASXDSNGHPVERQ-QFIPXVFZSA-N 377.444 2.741 0 40 GFAB O=C(Nc1cccc(I)c1)c1ccc(-n2cnnn2)cc1 873825 BYJZWFFCJKQQJY-UHFFFAOYSA-N 391.172 2.519 0 40 GFAB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC 2487059 AZOBMXNQKHNDMY-ZBEGNZNMSA-N 390.461 2.916 0 40 GFAB CCN(CCc1ccccn1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 69419721 RPVYPKGGTHJBNC-UHFFFAOYSA-N 377.448 2.783 0 40 GFAB COc1cc(NS(=O)(=O)c2cc(C(N)=O)sc2C)c(OC)cc1Cl 6679948 SBTXURJWJYGUDE-UHFFFAOYSA-N 390.870 2.627 0 40 GFAB O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccco1 7939734 LOHJFWVCQNYPQR-UHFFFAOYSA-N 398.337 2.877 0 40 GFAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNn3cn[nH]c3=S)o2)c1 8378167 BZYQSSNTNMQWAN-UHFFFAOYSA-N 388.405 2.518 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1C 53542528 PZKHZNBOYHWLFD-INIZCTEOSA-N 376.478 2.987 0 40 GFAB CCCN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)[nH]2)CC1 9198384 GWTLRUDVMXKAEJ-UHFFFAOYSA-N 379.917 2.771 0 40 GFAB CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C1=O 1147339 CWMRNSRPDORXEG-GHXNOFRVSA-N 385.825 2.957 0 40 GFAB O=C(CCc1ccccc1Br)NC[C@@H]1CN2CCCC[C@H]2CO1 107542407 JWEYFBSCHUFBGO-JKSUJKDBSA-N 381.314 2.751 0 40 GFAB CN(C)CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20460685 SXGCIFLNJOFOMK-UHFFFAOYSA-N 395.912 2.822 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 44840107 IIVUKOCUPGNFDH-CQSZACIVSA-N 381.432 2.782 0 40 GFAB CCCC[C@@H](NC(=O)COc1ccc2c(CCC)cc(=O)oc2c1)C(=O)O 2147697 AFYRLTWTNUGFLK-MRXNPFEDSA-N 375.421 2.884 0 40 GFAB biogenic CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 2151842 LUZBZTTVHIEOPE-BUXKBTBVSA-N 375.421 2.740 0 40 GFAB biogenic Cc1nnsc1C(=O)N1Cc2nc3c(C)c(-c4cccs4)nn3c(O)c2C1 100215517 WRMMQTVWDRJUFK-UHFFFAOYSA-N 398.473 2.788 0 40 GFAB CCN1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cn2)CC1 48289366 UKYBABNXNGUFOS-UHFFFAOYSA-N 390.491 2.544 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(=O)OC)cc1 2253623 WODAYRVMCOXOFV-IAQYHMDHSA-N 388.445 2.685 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 45184887 PZXUOCGGJDRYJP-FQEVSTJZSA-N 396.539 2.787 0 40 GFAB Cc1cc(O)n2nc(CC(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)nc2n1 100166450 ZECJCUZCAXAHQE-IRXDYDNUSA-N 395.438 2.757 0 40 GFAB COC(=O)c1cc(CNC(=O)c2cccnc2OCC(F)(F)F)ccc1OC 45285056 GTVTVJILQZTBFG-UHFFFAOYSA-N 398.337 2.748 0 40 GFAB CCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)C(C)C)ccc3n2C)c1OC 36369846 DREMPMWWWDMZDF-UHFFFAOYSA-N 397.479 2.932 0 40 GFAB biogenic O=C(O)C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 3325319 XJRKYXPKSMXFMZ-NSHDSACASA-N 377.315 2.737 0 40 GFAB Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C 11004078 AGLDTGXYPWYCIV-UHFFFAOYSA-N 390.480 2.979 0 40 GFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1cccc(Br)c1 29157603 KKZSTFCKANGWBL-UHFFFAOYSA-N 394.313 2.722 0 40 GFAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 12734067 JXKMTTZALLNKLW-HXUWFJFHSA-N 378.436 2.594 0 40 GFAB COCCn1cnnc1SCCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 12850605 DFECCZVBOHUWAI-UHFFFAOYSA-N 390.509 2.661 0 40 GFAB C[C@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 12850297 HOSFIWUPRYASDX-AWEZNQCLSA-N 375.469 2.657 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3460320 KLOIVFCCJBIFML-OPAMFIHVSA-N 379.460 2.591 0 40 GFAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)C(=O)Nc1sccc1C(N)=O 8484936 UJOSKZOZCKEOMH-AXFHLTTASA-N 388.445 2.915 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 12978406 YQEFLDXNEJPZQG-UHFFFAOYSA-N 399.299 2.857 0 40 GFAB O=C(NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1Br 12911544 AYHLDERSZMNPIG-JTQLQIEISA-N 393.203 2.980 0 40 GFAB Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)o1 306138874 SJXGZVDGOVNTDI-ROUUACIJSA-N 376.416 2.506 0 40 GFAB Cc1ccccc1OCC(=O)N1CCCN(C(=O)COc2ccccc2C)CC1 8567305 JGRFXEIELHOTLG-UHFFFAOYSA-N 396.487 2.822 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 4308550 ZMLDDDVBEXOGTJ-FQEVSTJZSA-N 375.444 2.679 0 40 GFAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1cccc(Cl)c1 69982258 JUAPHVLMIOSBDX-UHFFFAOYSA-N 384.852 2.734 0 40 GFAB NC(=O)[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 14147827 NHEZHIHNQFGRQK-GOSISDBHSA-N 379.416 2.814 0 40 GFAB CCCn1c(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)nc2ccccc21 8709109 CNYRYZHGMFYVNO-UHFFFAOYSA-N 386.477 2.997 0 40 GFAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 4700097 WCGWTCNZDJCIRT-MSUUIHNZSA-N 393.424 2.992 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 6790607 HNHNZJPDTDTDPW-SFHVURJKSA-N 377.400 2.618 0 40 GFAB COC(=O)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 8845026 SWPBUGNYOGARDB-CQSZACIVSA-N 379.416 2.738 0 40 GFAB O[C@@H](CNc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(Cl)cc1 29997497 VHUXDNVQPUAXQS-INIZCTEOSA-N 388.903 2.871 0 40 GFAB C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc2c(c1)CCC2 7300510 OQOYMRHSMDXSCC-VIFPVBQESA-N 394.547 2.724 0 40 GFAB COc1ccc(CN(C)[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1OC 7729749 RCJOQPQOYAZYRF-AWEZNQCLSA-N 383.448 2.509 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1C 28249420 VWSSDRVXAMUJHK-UHFFFAOYSA-N 392.433 2.549 0 40 GFAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C 71326966 WSPUPRBNOUJJIF-UHFFFAOYSA-N 397.410 2.934 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C\c1ccc(C)s1 96841547 INMUMUQGQHRPNI-YFHOEESVSA-N 380.491 2.967 0 40 GFAB Cn1c(CCNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)nc2cc(Cl)ccc21 72277587 CBSQEWMBHHHJNH-KRWDZBQOSA-N 383.835 2.667 0 40 GFAB Cc1cccc(-c2ccc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)c(=O)[nH]2)c1 72283565 XQAZGTUFAAHBSC-IAGOWNOFSA-N 397.519 2.968 0 40 GFAB CCN1CCN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)CC1 28226601 UWZAEALWXHOHEY-UHFFFAOYSA-N 395.301 2.681 0 40 GFAB CCc1ccc([C@@H](NS(=O)(=O)N2CCC(C(=O)OC)CC2)C(C)C)cc1 95954646 UHDWMPCNRZOGHF-SFHVURJKSA-N 382.526 2.666 0 40 GFAB COc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3OC)n2)c1 21124876 JYQTXKZFJUSARW-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1C 408623702 PMOGNIXNUBUTOC-UHFFFAOYSA-N 392.477 2.953 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1Cl 408597925 WPNPJPNDWPAHEU-GFCCVEGCSA-N 376.906 2.568 0 40 GFAB CCc1ncc(CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1 516910295 RXJNUEHQCUOCBT-UHFFFAOYSA-N 388.443 2.614 0 40 GFAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 31684694 XEROCXVIODRLEC-UHFFFAOYSA-N 384.823 2.921 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3cccnc3)C2)c1 72345963 JXAUFCXKDBZSSB-SFHVURJKSA-N 388.475 2.599 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CCOCC2)cc1 72216232 DEWFFRURMXJCAN-IBGZPJMESA-N 387.505 2.752 0 40 GFAB CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cccnc4)C3)n2)s1 72382489 VEVJMIVOPGURGC-AWEZNQCLSA-N 395.492 2.967 0 40 GFAB CCOC(=O)C1=C(CSC(=S)N(CC)CC)NC(=O)N[C@@H]1c1ccco1 32753302 PKZAUNKTYMPKPC-CQSZACIVSA-N 397.522 2.811 0 40 GFAB CCCSc1ncc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)OC)n1 41156652 TVOBWUWCBINLLG-JTQLQIEISA-N 377.919 2.657 0 40 GFAB C[C@H]1CCCc2nc(S(=O)(=O)Nc3noc(Cc4ccc(F)cc4)n3)cn21 564062310 MTKFLIBMSPPTGK-NSHDSACASA-N 391.428 2.694 0 40 GFAB Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2)nc(N2CCOCC2)n1 224225803 WOPRMRXQFHGBRR-UHFFFAOYSA-N 380.370 2.570 0 40 GFAB CCOC(=O)c1sc(NC(=O)CC2(Cn3cnnn3)CCCCC2)nc1C 44919766 WVYIQXVJIDWZHB-UHFFFAOYSA-N 392.485 2.594 0 40 GFAB COc1cccc(NC(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)c1OC 225637794 HGGMKVVEAAGTPK-HNNXBMFYSA-N 399.403 2.545 0 40 GFAB CC[C@H](C(=O)Nc1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220613617 IZTSXZAKSSOYMQ-QGZVFWFLSA-N 392.477 2.887 0 40 GFAB O=C(/C=C/c1cccnc1)NC1(c2nc(-c3cnccn3)no2)CCCCC1 77197511 UOXVINLZJPRMDQ-VOTSOKGWSA-N 376.420 2.911 0 40 GFAB CCc1ccc(OCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 224317820 NSJLZEVJLWKOSS-UHFFFAOYSA-N 380.444 2.820 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4CNC[C@@H]4c4ccccc43)ccc12 96157021 RYCBEPISICHVOH-KXBFYZLASA-N 390.439 2.830 0 40 GFAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(c2ccccc2)CC1 95478250 GWMSIYNHFRVBTM-LJQANCHMSA-N 399.564 2.976 0 40 GFAB O=S1(=O)NCC2(CCN(Cc3ccc(F)cc3)CC2)COc2ccccc21 96037117 HDOGJDRFHQYQRC-UHFFFAOYSA-N 390.480 2.779 0 40 GFAB COc1ccccc1N1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2F)C1=O 585081102 QWSSNTWUNWIMJP-CYBMUJFWSA-N 398.843 2.572 0 40 GFAB O=C(NCc1nc(C2CCN(C(=O)C3CCC3)CC2)n[nH]1)OCc1ccccc1 585138534 YWZPPWHTECIXAG-UHFFFAOYSA-N 397.479 2.737 0 40 GFAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCN(c3ccccc3)CC2)n1 256047144 KSSMAVKKTOVPPH-UHFFFAOYSA-N 377.448 2.855 0 40 GFAB NS(=O)(=O)c1ccccc1CNC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 665749757 AHSIFWMBASJHGN-GOSISDBHSA-N 399.516 2.813 0 40 GFAB COC1(CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CCOCC1 673031346 FGSSHIJAZYEXQB-UHFFFAOYSA-N 385.342 2.681 0 40 GFAB COc1ccc(C(=O)NCCc2csc(-n3nc(C)cc3C)n2)cc1OC 90609312 GRYHKLXTIZFKCJ-UHFFFAOYSA-N 386.477 2.935 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)c1F 390827786 KDYXUCTVDLGJIA-NSHDSACASA-N 387.440 2.923 0 40 GFAB COC(=O)c1ccc(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cc1 390830177 JGRAAHOMMOSROZ-MRXNPFEDSA-N 393.486 2.537 0 40 GFAB O=C(COCc1ccccc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111492 BTNRYEGCJDGBED-NRFANRHFSA-N 391.471 2.878 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1nc(C2CC2)ccc1=O 585149970 RVQKUHYBHBIDIC-UHFFFAOYSA-N 375.856 2.748 0 40 GFAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)CC2)cc1 585271482 AFIVBAFMTBCALM-DEOSSOPVSA-N 396.531 2.950 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)nc1 1615154203 FPNACUJJNUMOHN-NRFANRHFSA-N 383.423 2.567 0 40 GFAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(Cl)cc3)cc21 5252381 MYPIBBJCDGDTQX-UHFFFAOYSA-N 385.851 2.894 0 40 GFAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 12143136 GOPIUFURVJPNIZ-OZQHCQBDSA-N 384.451 2.513 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(OC)cc3)ccc21 13583965 CNPCAAAPJLDXFV-UHFFFAOYSA-N 388.489 2.728 0 40 GFAB COc1ccccc1-c1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 14608479 FHRCVMFSHQMUFY-UHFFFAOYSA-N 376.460 2.768 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1Cl 16692400 COMMGFMAVNBKAJ-UHFFFAOYSA-N 388.917 2.618 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)c1 19079320 QCHREHBMHBYQFG-QRWLVFNGSA-N 396.491 2.604 0 40 GFAB CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(C)C)CC3 19085650 SNKWUZWDGJBJKO-GOSISDBHSA-N 385.512 2.911 0 40 GFAB CCc1nc(C)cc(N2CCN(C(=O)c3n[nH]c4c3CCCCCC4)CC2)n1 19523139 VUPVCRKDAMDIEX-UHFFFAOYSA-N 382.512 2.692 0 40 GFAB COc1cccc(-n2nnc(C(=O)N3CCC(Oc4cccnc4)CC3)c2C)c1 19557735 ZZTGGJPGWWXEKY-UHFFFAOYSA-N 393.447 2.663 0 40 GFAB COc1cccc(OC)c1CN1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19567012 JZHPXLKVLVRKMY-MRXNPFEDSA-N 392.459 2.839 0 40 GFAB CN1CCc2nc([C@H]3CCCN(C(=O)c4ccc(N(C)C)cc4)C3)ncc2C1 19590445 PNIGIWVIUSZDFU-KRWDZBQOSA-N 379.508 2.550 0 40 GFAB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19835043 YMZJVWBQEMUGBD-UHFFFAOYSA-N 394.880 2.575 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 19886516 HZRBFXPCLZMUFB-UHFFFAOYSA-N 389.477 2.840 0 40 GFAB CN(C)c1cc(C(=O)N2CCN(CCc3ccncc3)CC2)nc2ccccc12 636294731 HFMQZDNPCOTGIV-UHFFFAOYSA-N 389.503 2.696 0 40 GFAB CNC1CCC2(CC1)CN(C(=O)c1cc(C)c(C)[nH]c1=O)Cc1ccccc1O2 19566781 HWKURWSWMNPSQD-UHFFFAOYSA-N 395.503 2.927 0 40 GFAB COc1ccc(S(=O)(=O)CCNC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1 19714642 YLRNCKJULSAWQW-UHFFFAOYSA-N 386.473 2.997 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2ccncc2)Nc2ccccc21 257265837 MAOOWBUNQQQDIP-PDPLOHQNSA-N 390.487 2.728 0 40 GFAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cnnn2)cc1 7183511 CBKDHVCICUEILD-IBGZPJMESA-N 391.431 2.573 0 40 GFAB Cc1nc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)co1 2037839726 BOLPJDGXDPPLGB-FQEVSTJZSA-N 387.411 2.550 0 40 GFAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(n2nccn2)CC1 253471335 BVYFRAHAKSOIFT-UHFFFAOYSA-N 394.806 2.976 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)/C=C/c1ccc2c(c1)OCO2 253474929 LXKFJKZEDWHENT-XPUAEESYSA-N 381.428 2.777 0 40 GFAB Cc1cccc(Cn2c(=O)c3c(nc4oc(-c5ccccc5)cn43)n(C)c2=O)c1 8706141 WCXJRNIBODKVDG-UHFFFAOYSA-N 386.411 2.965 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)N1CCC(Cc2ccccc2)CC1 10326496 DUGHPJWFRWCJMV-UHFFFAOYSA-N 380.444 2.513 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2nccs2)cc1 15391251 OCYHYDXCBMOLOV-CYBMUJFWSA-N 395.506 2.724 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)cc1 22582632 RRODNASSWFFFAW-OAQYLSRUSA-N 387.549 2.570 0 40 GFAB COc1ccc(C)c2s/c(=N/C(=O)c3cccc(S(C)(=O)=O)c3)n(C)c12 101041931 VMQBLUHVISDEKF-VHEBQXMUSA-N 390.486 2.701 0 40 GFAB CCn1cccc1-c1noc(CNC(=O)c2cc(-c3cccs3)nn2C)n1 225769026 AQFHWUWCNVBXNC-UHFFFAOYSA-N 382.449 2.950 0 40 GFAB C[C@@H](CC(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O)c1ccccc1 575611507 FXBSWEBMQSFLJS-AWEZNQCLSA-N 391.468 2.637 0 40 GFAB O=S(=O)(c1cccnc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294309 YFXDMKZRXSMGQV-ZCNNSNEGSA-N 389.496 2.910 0 40 GFAB O[C@H]1C[C@@H]2CN(Cc3cncnc3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242644 FGONLEXQDSPUQU-WOZUAGRISA-N 375.476 2.784 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)NCCNc1nc2ccccc2s1 40087228 WUDDBBFGKRTZSC-UHFFFAOYSA-N 399.501 2.686 0 40 GFAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 100790696 ORKNERHMCZSBPF-VFCRVFHLSA-N 377.444 2.883 0 40 GFAB COC(=O)c1c(SCC(=O)N[C@H](c2cccs2)C(C)C)nc(=O)[nH]c1C 31617954 YCXXBIIZVUFUBO-AWEZNQCLSA-N 395.506 2.532 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102128176 DFCGYZNCSDPLLB-GASCZTMLSA-N 381.432 2.547 0 40 GFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102654538 XZDJTLCFDWBOEW-LRDDRELGSA-N 375.494 2.547 0 40 GFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C1=O 2661180 GLFUDUUAFCUSLQ-QFIPXVFZSA-N 395.459 2.559 0 40 GFAB C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cn2)CCO1 46716814 OLZRGGYSESWPNG-OAHLLOKOSA-N 377.448 2.627 0 40 GFAB CSCC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)c1nc2ccccc2[nH]1 6551749 ANZJAZDLJAWWMZ-OAHLLOKOSA-N 395.492 2.842 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(C)c1 10112367 BYJMJPTVLCKOIV-UHFFFAOYSA-N 379.434 2.990 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10315065 RSSZCNIPTGYBIX-UHFFFAOYSA-N 389.477 2.759 0 40 GFAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 798652 OOXJLWDWZZZQAI-UHFFFAOYSA-N 388.489 2.509 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 8037032 MSMFVTJYPUJUNN-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CC(C)CN1C(=O)/C(=C\Nc2ccc(OC(F)(F)F)cc2)C(=O)NC1=S 9469625 NNGPSTOBQKTJFU-GHXNOFRVSA-N 387.383 2.780 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1 55406911 JFIFVIMJRBVOFI-HOTGVXAUSA-N 387.553 2.779 0 40 GFAB CSCCCNC(=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25777511 VRJFUVWDQNOSOX-UHFFFAOYSA-N 378.489 2.850 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(F)c2)c1=O 57427261 PJXNVIWGBWQVEY-UHFFFAOYSA-N 375.425 2.803 0 40 GFAB CCCCN(C(=O)NC(=O)Nc1ccccc1Br)S(C)(=O)=O 3214983 GKNNWQKTINHGFY-UHFFFAOYSA-N 392.275 2.752 0 40 GFAB CC1CCN([C@H](C)CNS(=O)(=O)c2cccc(Br)c2)CC1 58084322 DQLHXOAXKVIFKX-CYBMUJFWSA-N 375.332 2.848 0 40 GFAB Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1N1CCCS1(=O)=O 36091550 BEYSNBFKKAEZLL-UHFFFAOYSA-N 398.481 2.616 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)CC1 100750149 NVXCKJDLHQRELU-LVCYWYKZSA-N 395.507 2.902 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(N2CCCC2)c(F)c1 100773961 FGISRWSHWNERPX-FEBSWUBLSA-N 399.466 2.786 0 40 GFAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@H]1CCCN1C(=O)C1CCCCC1 58433150 GKIXZLPNOPYXPD-LJQANCHMSA-N 394.475 2.947 0 40 GFAB O=c1cc(CNc2ccc(I)cc2)nc2sccn12 3376891 HCXLFENDBQQTOJ-UHFFFAOYSA-N 383.214 2.973 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 3397812 NDGBATDYCQEHHY-UHFFFAOYSA-N 377.824 2.873 0 40 GFAB Cc1ccsc1C(=O)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306132441 LIVWVBQJDDUOJG-ROUUACIJSA-N 392.484 2.975 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3cc(NC(C)=O)ccc3F)CC2=O)c1 13017277 PJTOLFMSLACVDG-CYBMUJFWSA-N 385.395 2.784 0 40 GFAB CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 13098002 JGUXXYBAWAJQNG-UHFFFAOYSA-N 398.834 2.848 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(CN3CCOCC3)cc2)cc1 39975589 KTYBBPJJYKOFHV-INIZCTEOSA-N 396.491 2.916 0 40 GFAB COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)cc1 5343432 LAXOWBJIWUZVOU-HXUWFJFHSA-N 393.443 2.945 0 40 GFAB Cc1ccc(C2=NN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@H](c3ccco3)C2)cc1 4516761 HPSAAVCUXAKQLZ-INIZCTEOSA-N 394.431 2.596 0 40 GFAB COc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(OC)c1 5439123 JOCNUSRDXWXWGL-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1F 6591372 RNWQCJDVFBYWPJ-MRXNPFEDSA-N 378.425 2.666 0 40 GFAB O=C(COC(=O)CSc1ncnc2sccc12)NCCc1ccccc1 5563988 VNFPHUMBWLIXKD-UHFFFAOYSA-N 387.486 2.686 0 40 GFAB COc1cccc(CNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 6954324 QEGOCPCLAVOROO-UHFFFAOYSA-N 399.466 2.580 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)c1cccs1 4942531 WDPIDEJKDOZOAF-UHFFFAOYSA-N 386.454 2.952 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204775 WJNGTQYJOGGSTB-LJQANCHMSA-N 383.423 2.739 0 40 GFAB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NC1CC1 7872219 RJWNJOSDULMQQN-UHFFFAOYSA-N 382.844 2.953 0 40 GFAB O=C(CSc1nnc(-c2ccccc2)o1)NCC(=O)Nc1ccc(F)cc1 8281741 JUBWWGDBUDPORC-UHFFFAOYSA-N 386.408 2.723 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1C[C@H]1c1ccccc1F 69574010 XKXXUWNIVBDHOF-LSDHHAIUSA-N 391.420 2.596 0 40 GFAB C[C@H](OC(=O)CCS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F 8638841 XGUNQOUCOWELFD-ZDUSSCGKSA-N 379.409 2.560 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3cccc(F)c3)CC2=O)cc1 18006113 IBXHYHMMHDPSQA-MRXNPFEDSA-N 397.450 2.838 0 40 GFAB CCCN(CCNS(=O)(=O)c1ccccc1)C[C@@H]1COc2ccccc2O1 95385671 PBINDOMYALHMMS-QGZVFWFLSA-N 390.505 2.517 0 40 GFAB COc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(C)c(C)c3)C[C@@H]2C)c1 95450372 PUVAVNSFYFKLOS-SFHVURJKSA-N 395.503 2.779 0 40 GFAB O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc2c(n1)CCCC2 89825837 WKHNGNAOLDYCEF-LJQANCHMSA-N 375.432 2.793 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 26607018 DGIKURUGRZDOCP-AWEZNQCLSA-N 385.430 2.624 0 40 GFAB CCOc1ccc(CNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 113944697 MYMOKWDGSWOYRG-UHFFFAOYSA-N 376.478 2.801 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccc(OC)cc2)c1 27935659 ZIASLAWGYVRUEG-UHFFFAOYSA-N 383.853 2.656 0 40 GFAB COc1cccc([C@H]2C[C@@H](O)CN2C(=O)CCCc2ccc3nc(O)[nH]c3c2)c1 504114140 ASWNRVKRKHEOKW-OXQOHEQNSA-N 395.459 2.934 0 40 GFAB COc1cccc(CN2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)c1 1534169722 VCHAPWLUGINYTM-UHFFFAOYSA-N 377.444 2.907 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(OCC)c2)cc1 224604905 CISXLMBBVAOIRV-UHFFFAOYSA-N 379.434 2.764 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1ccccc1Cl 223048665 IRANMPRQCYDFIN-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB O=C(NCc1ccc(-c2cccnc2)cc1)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 570258911 NQXAKICDIUVHIH-NJDAHSKKSA-N 381.476 2.820 0 40 GFAB CCOc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225946392 ZDWZUTGZVHWTLF-INIZCTEOSA-N 380.441 2.844 0 40 GFAB FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225909936 OCFCJXOYEBYWTH-LLVKDONJSA-N 389.447 2.951 0 40 GFAB COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 77184883 LBOVPXSHEQLRDX-IBGZPJMESA-N 394.830 2.536 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223002290 VPEFHGBPGMRCOS-KFKAGJAMSA-N 386.521 2.681 0 40 GFAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(OC)c(OC)c2)CC1 226259720 HLFZQGPOYMFANL-UHFFFAOYSA-N 384.480 2.680 0 40 GFAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 223588009 NBDFTFLVBRQYAF-UXHICEINSA-N 394.500 2.846 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2Cl)c1 225407489 BILLYQHQTUGYSE-UHFFFAOYSA-N 398.937 2.911 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 96903932 FIRCNUMGFTTXGC-NWZZKEMCSA-N 398.846 2.722 0 40 GFAB C[C@@H](C(=O)NCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1)C1CC1 585138314 DPTBKRUTEROQPN-GFCCVEGCSA-N 377.489 2.582 0 40 GFAB CCOC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 42783156 YGQDXBQWPWLMNL-GJZGRUSLSA-N 379.409 2.705 0 40 GFAB in-vitro COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4ccnc4)C3)o2)cc1 257323857 WMCRTKGHNNKZRZ-KRWDZBQOSA-N 380.448 2.877 0 40 GFAB CC(=O)N1[C@@H]2CN(C(=O)Cn3nc(C)cc3C(F)F)[C@@H]3CCC[C@H]1[C@]3(C)C2 257317593 VKKRVUFWIIWMQR-NQUFMGSDSA-N 380.439 2.520 0 40 GFAB NC(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)CN2CCCCC2)C1 257204218 ATOOHGJXDMABLV-CQSZACIVSA-N 386.521 2.587 0 40 GFAB O=C(O)COc1cccc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1 668323908 GJTMZAFAKKOBHA-FQEVSTJZSA-N 381.428 2.974 0 40 GFAB O=C(NCCn1ccc(-c2ccccn2)n1)C1(c2ccccc2)CCOCC1 96098898 BLGMJAXKBKHXHU-UHFFFAOYSA-N 376.460 2.810 0 40 GFAB Cn1c(=O)oc2ccc(S(=O)(=O)NC3(c4cccs4)CCCC3)cc21 390829041 WEFMDUADICLLPI-UHFFFAOYSA-N 378.475 2.941 0 40 GFAB Cc1ccc(NC(=S)N(CCCCCC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1 575419871 ABSACBASTFFDRA-INIZCTEOSA-N 398.550 2.826 0 40 GFAB COc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H]1CS(C)(=O)=O 585094340 LTALSADKDTZBJP-OAHLLOKOSA-N 376.478 2.567 0 40 GFAB O=C(c1nccs1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615120311 KBBZQSFHAHWBET-IBGZPJMESA-N 389.452 2.711 0 40 GFAB COC(=O)c1cc(COC(=O)C[C@H]2Sc3ccccc3NC2=O)oc1C 5289530 AFLJXJLGVYQLTP-OAHLLOKOSA-N 375.402 2.921 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 5439202 UQSNOCDFDMFBTK-UHFFFAOYSA-N 388.445 2.656 0 40 GFAB Cc1cc(-c2cncnc2C2CCN(C(=O)CCn3nccc3C)CC2)on1 12118320 ANSQWAOEJBDUEX-UHFFFAOYSA-N 380.452 2.741 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)NC(C)C 13680254 SAABZLDUNOMYHA-UHFFFAOYSA-N 376.478 2.654 0 40 GFAB COc1ccc(OCC(=O)/N=c2/sc3c(OC)ccc(OC)c3n2C)cc1 14077404 ACJUQYNDEWLUBZ-FMQUCBEESA-N 388.445 2.772 0 40 GFAB Cc1cc2nc(C[C@H](NC(=O)c3cncnc3C)c3ccccc3)cc(O)n2n1 19130073 ALZSDOGFUBZXPL-SFHVURJKSA-N 388.431 2.556 0 40 GFAB Cn1nc(-c2ccccn2)cc1CN1CCC(NC(=O)Cc2ccccc2)CC1 19288959 SHQBEDXROXEXCU-UHFFFAOYSA-N 389.503 2.805 0 40 GFAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 19291279 KNYMDYWDBFXOIA-OAQYLSRUSA-N 380.467 2.963 0 40 GFAB COc1cccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c1 19291345 FSCMQSPEYOJCTH-JOCHJYFZSA-N 392.503 2.833 0 40 GFAB O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CC(=O)N(Cc2ccncc2)C1 19293091 FIKDGWZSYGWPKD-INIZCTEOSA-N 382.439 2.808 0 40 GFAB O=C(Cn1cncn1)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19370978 SLWBWRWMVHTWKB-SFHVURJKSA-N 378.432 2.540 0 40 GFAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2csc(C)c2)C3)C1 19571912 FPBBLNNDRSHLTA-OAHLLOKOSA-N 384.505 2.771 0 40 GFAB COc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1 12188447 BCFCRJKXPFKJAB-OAQYLSRUSA-N 386.467 2.995 0 40 GFAB CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 7398777 XNXQWUCPHFCECK-UHFFFAOYSA-N 398.893 2.595 0 40 GFAB CN1CC2(C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2C(F)(F)F)OCC1=O 1888864197 OGFIRXBVGBBXCK-NCNPBXTDSA-N 382.382 2.700 0 40 GFAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1csc(-c2ccccc2)n1 245170801 XGXYRUHNJJZIOA-UHFFFAOYSA-N 376.445 2.931 0 40 GFAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2037984290 WMMRBHIZCAWFFR-GOSISDBHSA-N 386.414 2.544 0 40 GFAB Cc1ccncc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037988993 QJOJDYVOMVUZMG-NRFANRHFSA-N 383.423 2.567 0 40 GFAB COC(=O)C1CCN([C@@H](c2cccs2)c2sc3nc(C)nn3c2O)CC1 4121048 UBBZKNGJEICBJI-ZDUSSCGKSA-N 392.506 2.841 0 40 GFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C(C)C 4370588 QBPXIDQZUZWBEY-UHFFFAOYSA-N 383.427 2.535 0 40 GFAB COc1ccc(N2C(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4393705 OCLZQFYWBOLKDG-RBUKOAKNSA-N 386.473 2.924 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 5191425 LUDNONVXLRQFRS-INIZCTEOSA-N 382.420 2.581 0 40 GFAB CC(C)NC(=O)CSc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 5107340 IWMQCEAZXPGCLW-UHFFFAOYSA-N 390.509 2.914 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2C)n(C)c1=O 10104891 ZZZBTOKEQTVIBE-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB COc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCCCC4)ccn3n2)cc1 12414458 FNEUQXNZLYEXOP-UHFFFAOYSA-N 380.448 2.621 0 40 GFAB Cn1cccc1[C@@H](CNS(=O)(=O)c1cccc2ccccc12)N1CCOCC1 21154355 PBZGSRNNMPUQHF-HXUWFJFHSA-N 399.516 2.530 0 40 GFAB CCc1nnc(C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)s1 23140839 UGOUAXRHJWAMKN-UHFFFAOYSA-N 397.522 2.686 0 40 GFAB Cn1cc(-c2cc(CNC(=O)C3(c4ccccc4)CCOCC3)ccn2)cn1 575617537 FDNSGGADBXNSHU-UHFFFAOYSA-N 376.460 2.847 0 40 GFAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 944060 UMFNHXMDTFOYNW-CQSZACIVSA-N 384.251 2.943 0 40 GFAB COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3ncnn32)cc1OC 949746 XMQBWRMUXDNHAT-SFHVURJKSA-N 392.419 2.618 0 40 GFAB Cc1cc(C)nc(SCC(=O)NCc2ccccc2CN2CCCC2=O)n1 40072296 HFFFIQJIHIXAEF-UHFFFAOYSA-N 384.505 2.624 0 40 GFAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCc1ccc(Cl)cc1 100434790 UYQXCHTVTHRAKH-AJHHTPGJSA-N 391.895 2.873 0 40 GFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 32080855 VGBXWWYPJUIYSA-CQSZACIVSA-N 388.445 2.542 0 40 GFAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3F)n2)cc1OC 101205015 YLGKBHHPRPXXHJ-UHFFFAOYSA-N 389.362 2.664 0 40 GFAB Cc1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1S(N)(=O)=O 32789156 GHWXKNMDWWSAQX-UHFFFAOYSA-N 388.367 2.679 0 40 GFAB COCc1nc(OC)c2c(C)c(C(=O)NCCC3CCN(C)CC3)sc2n1 102640804 PMXHPLJFRQYXEP-UHFFFAOYSA-N 392.525 2.616 0 40 GFAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2F)cc1 1367554 LQGFOBCSDYBDQQ-SANMLTNESA-N 380.416 2.853 0 40 GFAB CS(=O)(=O)NCc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)o1 79056764 STRPQQKILVGPNZ-UHFFFAOYSA-N 394.474 2.826 0 40 GFAB CCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 6957793 PJRBIKPJSNTTRI-UHFFFAOYSA-N 382.526 2.553 0 40 GFAB NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 7205085 ROKDRQPGZYMUNV-UHFFFAOYSA-N 390.321 2.595 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 23156625 TUIRGTXEYNJLSU-IBGZPJMESA-N 381.501 2.834 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 959594 QXESVXNUNJINQS-UHFFFAOYSA-N 387.388 2.676 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)[nH]1 23391081 DZIOLUOENWPXBP-LJQANCHMSA-N 391.374 2.883 0 40 GFAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)CN1CCOCC1 12520410 KFYFJOPULOWEAZ-ZWKOTPCHSA-N 381.476 2.869 0 40 GFAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 12562861 VHXPHGZGVKUEHC-UHFFFAOYSA-N 375.494 2.931 0 40 GFAB CC(C)OC(=O)[C@H](C)CNC(=O)c1occc1CS(=O)(=O)c1ccccc1 72300956 OTRUYBFNZBAADU-CQSZACIVSA-N 393.461 2.571 0 40 GFAB COCCN(C)C[C@@H]1CCCN1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 106915101 WSBRVSMVKAYGAI-PZJWPPBQSA-N 379.520 2.682 0 40 GFAB CC(C)n1ncc2cc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)cnc21 23874454 RXPWVZQATHDVIA-UHFFFAOYSA-N 381.436 2.640 0 40 GFAB O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 25315687 YMXAWKDEQJBWCG-YFKPBYRVSA-N 378.898 2.501 0 40 GFAB Cc1cccc(CN2CCC(NS(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 56071089 WIRGJEKONRTTCM-QZTJIDSGSA-N 379.570 2.772 0 40 GFAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(CN2C(=O)CNC2=O)cc1 12622257 MITHBJWQLMRRSW-MRXNPFEDSA-N 399.447 2.844 0 40 GFAB CCC(CC)[C@H](CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1 26307642 COEMPKOASKKYJZ-NRFANRHFSA-N 388.556 2.655 0 40 GFAB O=C(NCCCOc1ccccc1F)N[C@@H]1CCS(=O)(=O)c2ccccc21 48254052 JQIJRRZJZLATAA-MRXNPFEDSA-N 392.452 2.813 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1 57432080 FFJFYRLAGULKNE-UHFFFAOYSA-N 381.451 2.711 0 40 GFAB Cc1ccc(CNC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)cc1 57426637 PBSARJCBAQUQKM-UHFFFAOYSA-N 399.516 2.896 0 40 GFAB CC(C)c1nc(C(=O)N[C@@H]2CC(=O)N(C)C2)nn1-c1c(Cl)cccc1Cl 84631051 ILWZDTPOIYTRDV-SNVBAGLBSA-N 396.278 2.658 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2ccccc2O)CC1 12772817 LFYFXWBCRPJUSP-UHFFFAOYSA-N 395.503 2.670 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccc(F)cc1F 23546318 MRIWTYHLRHZRAF-GFCCVEGCSA-N 379.407 2.739 0 40 GFAB CCC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2097037 PYYYPSSZELDUHL-OAHLLOKOSA-N 375.421 2.721 0 40 GFAB biogenic COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(N)=O)cc1Br 12782699 ZLLNGAYMBARNIW-UHFFFAOYSA-N 399.266 2.666 0 40 GFAB COc1ccccc1N1CC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)C1 58209367 BYEMXXCCMRWINL-INIZCTEOSA-N 378.469 2.780 0 40 GFAB CSCC[C@H](NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)O 36366089 JVSCARBNDJNZRH-LBPRGKRZSA-N 385.283 2.726 0 40 GFAB COc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)NC1CCCC1 3429002 XGQABNAUXOOZMC-UHFFFAOYSA-N 375.450 2.563 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 45641270 WVLAVBXRTILOOA-JOCHJYFZSA-N 396.487 2.739 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 29120146 MQGVISWQBYEYBZ-UHFFFAOYSA-N 390.386 2.895 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N[C@H]1CCCc2ccccc21 3594599 MLLKUPNSBYJQMH-CVDCTZTESA-N 389.455 2.574 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)c1 13258977 DVQLCTTWGQXACS-HNNXBMFYSA-N 381.837 2.689 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1 13721813 PERFBJDPTSSFII-UHFFFAOYSA-N 396.878 2.789 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1 5212625 KJPWJDPDXNAFGE-HNNXBMFYSA-N 398.459 2.948 0 40 GFAB Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 306127633 GDYGPPLAUMBINW-HRAATJIYSA-N 398.532 2.658 0 40 GFAB CCNc1nc(N2CCN(CC)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 20801836 FLNJILPGVVMFNL-QGZVFWFLSA-N 379.508 2.963 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)N2CCCCC2)cc1 14161301 SLOKZUVKLWYSAF-VQIMIIECSA-N 399.491 2.750 0 40 GFAB COc1ccc(CN(C)C[C@@H](O)COc2ccccc2C)c(OC)c1OC 6790332 PHPUALBOJDFDPX-QGZVFWFLSA-N 375.465 2.893 0 40 GFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 7426192 UJWVAAGMCVKXRO-QFIPXVFZSA-N 379.460 2.829 0 40 GFAB CCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230932 IJPFHMIIKJDQHO-UHFFFAOYSA-N 390.505 2.948 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 7826108 AKTVOZXVFAEZKT-INIZCTEOSA-N 394.349 2.624 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCc2ccccc2C1 17123962 OSCQFNVWCOVMBW-OAQYLSRUSA-N 383.467 2.967 0 40 GFAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 9586823 GLFKKMISCBIBFZ-MRXNPFEDSA-N 389.459 2.814 0 40 GFAB Cc1cc(C)c(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 22396944 YXTCJAOLDAAFGS-UHFFFAOYSA-N 378.469 2.833 0 40 GFAB COc1ccccc1CN(C)C(=O)COC(=O)C(C)(C)N(C)C1CCCC1 95466533 JJVMPKZMIZLDHD-UHFFFAOYSA-N 376.497 2.850 0 40 GFAB Cc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1O[C@H](C)C(=O)O 95991850 DIQCRPLPJLGUKJ-CYBMUJFWSA-N 396.403 2.863 0 40 GFAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCCN(C(=O)Oc2ccccc2)CC1 95959339 OCRPEKJUIZVECI-LJQANCHMSA-N 395.459 2.906 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 408610022 UJBBCSHDGDDFHE-LLVKDONJSA-N 384.404 2.669 0 40 GFAB COc1ccccc1-c1ccc2c([C@H]3CN(C(=O)C4CC4)CCN3C)nnn2c1 306136974 QHZZBIDYGBLQPV-LJQANCHMSA-N 391.475 2.630 0 40 GFAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@H]1CCO[C@@H]1C)CC2 547697767 USQSPJJVXMYVOU-FHLIZLRMSA-N 376.522 2.903 0 40 GFAB Cn1ccc2ccc(NC(=O)c3ccc(Cl)c(N4CCNC4=O)c3)cc2c1=O 501846646 PRJGNTJTNVYALT-UHFFFAOYSA-N 396.834 2.974 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 31517267 FBXXBWHJTPFMPI-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccccc2)c1 72354621 WZDHTSRDKYJVSW-SFHVURJKSA-N 387.443 2.802 0 40 GFAB Cc1cc(Oc2ccccc2C)nc(C2CCN(C(=O)CCC(N)=O)CC2)n1 72363236 WBBIQDQGJGLUCU-UHFFFAOYSA-N 382.464 2.857 0 40 GFAB COc1cc(OC)cc(OCC(=O)NCc2nc(-c3cccc(C)c3)no2)c1 218899401 BCUIUMQRVUNRAQ-UHFFFAOYSA-N 383.404 2.757 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)NCc4cccs4)C3)ncn2)n1 70656051 RWBIBCYMPCGNCC-MRXNPFEDSA-N 396.520 2.873 0 40 GFAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CCN(c2ccccc2F)CC1 225746456 IMQADVZTMRVWFD-UHFFFAOYSA-N 379.435 2.798 0 40 GFAB COC(=O)c1ccc(NCCCO)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223414733 GIMOHPSRNKFZQB-UHFFFAOYSA-N 398.868 2.722 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1OC 223876823 ZGXIYZCHWYKOBE-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB COCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(C(F)(F)F)n1 225899438 ZBQQSTIDCMTVMT-UHFFFAOYSA-N 377.436 2.665 0 40 GFAB CCOC(=O)N1CCN(c2ncncc2-c2nc(-c3ccsc3)no2)CC1 225579698 CPDCHFZBIXKNHR-UHFFFAOYSA-N 386.437 2.534 0 40 GFAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 247503597 GGCXBVIXFUQBIV-MOPGFXCFSA-N 376.547 2.926 0 40 GFAB COC[C@@H](C)NC(=O)CN1CCC(c2cccc(Nc3ncccc3C)n2)CC1 257342803 ZQFXSCDOUCXRFD-QGZVFWFLSA-N 397.523 2.859 0 40 GFAB COCCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(OC)cc3)o2)C1 257224855 FDRQQYPUJLGTKE-QGZVFWFLSA-N 388.464 2.643 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257307996 TVALKEKNUCUCKK-SFHVURJKSA-N 396.422 2.633 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1 260822822 AVONDCNXXFHBJE-OAHLLOKOSA-N 388.489 2.684 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3c3ccc(O)nn3)c12 530277017 PRGSZGGSZYMICG-MRXNPFEDSA-N 378.436 2.627 0 40 GFAB O=C(O)COc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)cc1Cl 630148434 NUIJYLHVDWESAQ-SUMWQHHRSA-N 376.796 2.915 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 585090816 ONVGQLWHJIOYIP-AAEUAGOBSA-N 380.388 2.712 0 40 GFAB Cc1sc(CNC(=O)NC[C@@H]2COCCO2)nc1-c1ccc(Cl)cc1 56791062 KZOJHVUCIPQSCJ-CQSZACIVSA-N 381.885 2.987 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12145265 QYAIQUCCRDNFBK-OKILXGFUSA-N 379.464 2.711 0 40 GFAB O=C(c1ccco1)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182294 MLUKOECOVLOCPT-HNNXBMFYSA-N 393.399 2.537 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(Cl)cc4)CC3)ccc21 12362041 CENGHMPQCNJJBS-UHFFFAOYSA-N 378.837 2.753 0 40 GFAB O=C(c1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407840 SCDMZRNWWUUXBH-LSDHHAIUSA-N 379.386 2.960 0 40 GFAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711785 GYNZUABTEDSLSK-LJQANCHMSA-N 390.505 2.898 0 40 GFAB CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 18134437 AQTAXCRJNPFKQS-MRXNPFEDSA-N 392.502 2.835 0 40 GFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 19014465 SWAILVFTAAUJJV-FUHWJXTLSA-N 396.535 2.600 0 40 GFAB Cc1cccc(O[C@H](C)c2nnc(NC(=O)[C@@H](C)N3CCOCC3)s2)c1C 19235673 MOUPKQCDJGCYCP-HUUCEWRRSA-N 390.509 2.954 0 40 GFAB CCCN1C(=O)N[C@H](CCC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)C1=O 19502569 LEZIJDXGOFLXMB-AZNNDXHDSA-N 383.492 2.796 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccsc3)o2)cn1 19525054 KGRVUXVVZNYHOA-ZDUSSCGKSA-N 379.467 2.540 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)s1 19559996 FJNXIAJMZYULGO-UHFFFAOYSA-N 379.507 2.578 0 40 GFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 19711431 DXSLDOQVVUHPDG-INIZCTEOSA-N 397.498 2.594 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)cc1OC 12187604 AIQXNDFWZZNSTJ-CQSZACIVSA-N 395.419 2.564 0 40 GFAB COCc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 12225434 MLBOVOZFZIIOJH-UHFFFAOYSA-N 380.444 2.630 0 40 GFAB COC[C@@H](C)NC(=O)C1(C[C@@H]2CC(c3ccccc3OC)=NO2)CCOCC1 12226453 WPFXQSPZXZMKKO-CVEARBPZSA-N 390.480 2.526 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)CC2)n1 253400342 LECFPCNDFMJODW-QGZVFWFLSA-N 383.448 2.636 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1 1343938 UDHIMDSNSOMCIB-UHFFFAOYSA-N 397.504 2.851 0 40 GFAB COc1cccc2cc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)oc12 5506136 ABNDGTSITBHEHV-XJKCOSOUSA-N 387.432 2.899 0 40 GFAB O=C(c1ccnc(O)c1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897045 VSWBAYWMYIWOBH-UHFFFAOYSA-N 393.447 2.639 0 40 GFAB CS(=O)(=O)c1cccc2sc(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)nc12 1889125253 WRMBNPWUTFLGGN-CHWSQXEVSA-N 377.535 2.620 0 40 GFAB CCCc1nnsc1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 238924210 UMIJHVARRKWEOH-UHFFFAOYSA-N 386.525 2.558 0 40 GFAB c1ccc(-c2ccnc(N3CCN(c4ncnc5ccsc45)CC3)n2)nc1 2087045460 RCTNBYWAUCTTPO-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)/C=C/c2cccs2)o1 4585639 RIQKWGAQVDJOKY-CMDGGOBGSA-N 375.431 2.854 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2cccs2)c1 4569687 NUANGOZAKYJVJX-OAHLLOKOSA-N 378.519 2.948 0 40 GFAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Cl 5075767 HFSHCPUAQZILEW-UHFFFAOYSA-N 386.882 2.681 0 40 GFAB CCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 11612993 PLWISPFUCGABPE-UHFFFAOYSA-N 397.494 2.963 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)s1 13848936 UPHRVSUNPRYSFN-UHFFFAOYSA-N 394.518 2.513 0 40 GFAB CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)CC1 22765347 CZEGLEXUUCFGPX-UHFFFAOYSA-N 390.487 2.898 0 40 GFAB O=c1c2cc(-c3cccs3)nn2cnn1Cc1nc(-c2ccccc2)no1 49004358 CIRFNPYONMCVBH-UHFFFAOYSA-N 376.401 2.718 0 40 GFAB Cn1cc(-c2nccnc2CNC(=O)c2ccc(OC(F)(F)F)cc2)cn1 575619863 OXGHPXUKSWQDCU-UHFFFAOYSA-N 377.326 2.706 0 40 GFAB O=S(=O)(NCC[C@H](CCO)c1ccsc1)c1cccc2nsnc12 575619522 GPDDNZQGSFYBSZ-LLVKDONJSA-N 383.520 2.587 0 40 GFAB C[C@@H]1CN(c2ccc(CNC(=O)Cc3noc4ccccc34)cn2)C[C@@H](C)O1 40106838 MJIQTKYDJHBXIS-HUUCEWRRSA-N 380.448 2.695 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccccn1 29713962 SBOPZXIOVPDJFY-OAQYLSRUSA-N 386.459 2.975 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 32909895 PVBJVXWXEAJAJX-QGZVFWFLSA-N 395.525 2.814 0 40 GFAB O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 32928962 OZMFLTBIZLQBOL-HXUWFJFHSA-N 399.516 2.750 0 40 GFAB O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccn2)C3=O)c1 1435464 ISANDFNVGWETQU-UHFFFAOYSA-N 387.351 2.833 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1985825 NJVHTCQZVRDTOD-SFHVURJKSA-N 380.444 2.779 0 40 GFAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)N3CCOCC3)c2)no1 33327375 DDZVPUWMJAXKPH-UHFFFAOYSA-N 395.415 2.650 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccnc1 6962578 PTLOYXLZGZGWQY-VCHYOVAHSA-N 387.399 2.551 0 40 GFAB CN(C)C(=O)CNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8401988 FSVIPSHIPMQRCW-UHFFFAOYSA-N 383.492 2.660 0 40 GFAB CCCC[C@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102979688 ZTNRQRIGEAIPNV-PYBDPKJDSA-N 383.282 2.548 0 40 GFAB O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc2nsnc2c1 57313799 CEGPNZHMAJIDKL-UHFFFAOYSA-N 394.279 2.976 0 40 GFAB COc1ccc(/C=C/C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 23181129 PHYPGQMTSGWXOA-OZVGAOPWSA-N 376.497 2.721 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1 979304 RXIWDPVYWLERQB-UHFFFAOYSA-N 397.456 2.924 0 40 GFAB O=c1/c(=C\c2ccc3c(c2)OCO3)sc2nnc(-c3ccc(Cl)cc3)n12 9189126 OXDVDDMLNUHGRR-OVCLIPMQSA-N 383.816 2.748 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1cc(-c2ccccc2)[nH]n1 23845652 IPZLMBKFGAEUHW-UHFFFAOYSA-N 376.460 2.839 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)cc1F 24284505 FFFAKFVINALPRO-INIZCTEOSA-N 384.498 2.815 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C=C(C3CC3)C3CC3)CC2)cc1 55065138 RRGQABKGNCYWBJ-UHFFFAOYSA-N 388.533 2.964 0 40 GFAB O=C(Nc1ccncc1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24656368 KPWMEPNHEAKPME-UHFFFAOYSA-N 387.486 2.916 0 40 GFAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 24746534 NCWPCKSRZPPUKM-UHFFFAOYSA-N 394.214 2.887 0 40 GFAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CN3CCN(c4nccs4)CC3)[C@@H]1C2 102829315 DASNRJNGYIFZAE-KURKYZTESA-N 377.554 2.635 0 40 GFAB CCOC(=O)N[C@@H]1CCCN(Cn2c(=O)oc3cc(Br)ccc32)C1 48289270 PFGOFNNDMACBDE-GFCCVEGCSA-N 398.257 2.525 0 40 GFAB O=C1CN(C(=O)COC(=O)c2ccccc2Br)c2ccccc2N1 3338329 WQSKBGVPUAMLLM-UHFFFAOYSA-N 389.205 2.591 0 40 GFAB CC(C)CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 12744299 MWYXIJGEEFFXIY-INIZCTEOSA-N 383.558 2.757 0 40 GFAB Cc1ccsc1CNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 58434158 VWDBKSNJEQAWEM-UHFFFAOYSA-N 384.436 2.846 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OC)c(OC)c1 2249239 LLHFXVMRYIBJRS-BDJLRTHQSA-N 390.461 2.916 0 40 GFAB O=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(-c3ccc(F)cc3)nn12 2263643 FILZNHBVPHVZEF-YVLHZVERSA-N 377.400 2.933 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ccccc3F)CC2)cc1 12789142 JLHMXYGKFGADJS-UHFFFAOYSA-N 383.467 2.850 0 40 GFAB CC[C@H](CCNC(=O)c1cc(-c2ccccc2)nc2ncnn12)n1cccn1 36619516 QVDPJKVYMZATMR-MRXNPFEDSA-N 375.436 2.759 0 40 GFAB CCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2ccsc2c1=O 12823020 RYFVFWMYFPAJFG-UHFFFAOYSA-N 385.470 2.866 0 40 GFAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751185 JRESFQXKILTOJV-NSHDSACASA-N 383.429 2.825 0 40 GFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)NCc1ccc(F)cc1 3492798 JSBZIPXAAYGXKR-UHFFFAOYSA-N 377.832 2.863 0 40 GFAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1 12999141 PFPFPWSQJJQFAD-AWEZNQCLSA-N 390.461 2.536 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Oc2cccc(N3CCCC3=O)c2)c1 12921246 DZNCCDIKHHCNOO-UHFFFAOYSA-N 389.429 2.676 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 4157207 LGTCEORWSVLHET-WBVHZDCISA-N 397.818 2.637 0 40 GFAB CCC[C@@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 14015298 KQCAJJQRUSUBFV-RHSMWYFYSA-N 385.489 2.771 0 40 GFAB COc1cc(C(=O)NCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC 14236540 YFHPCRBDKCYBKK-UHFFFAOYSA-N 390.461 2.803 0 40 GFAB O=C(OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1)c1cccnc1 5477686 ONOYTMRGXVZKDX-UHFFFAOYSA-N 385.379 2.851 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1C 20016174 MALQEIBNPMUDLJ-LLVKDONJSA-N 384.404 2.587 0 40 GFAB COc1ccccc1N1C(=O)N=C(O)/C(=C2\C[C@@H](c3cccs3)NN2)C1=O 8995874 YBSRHLWHGHTMAC-NVRAKJRWSA-N 384.417 2.673 0 40 GFAB COc1ccc(C(=O)Cn2c(=O)nc(N)c3c4c(sc32)COC(C)(C)C4)cc1 71283833 KTKXSBBMQPACTQ-UHFFFAOYSA-N 399.472 2.783 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 9117445 FCAKDKZJDZIWSF-GFCCVEGCSA-N 393.896 2.686 0 40 GFAB C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7443601 BPJGARUFXQZXGU-SECBINFHSA-N 383.564 2.777 0 40 GFAB COC(=O)c1sc(S(=O)(=O)N2CCCCCCC2)c(C(=O)OC)c1C 7814487 JFTZSKWJNFSXLU-UHFFFAOYSA-N 389.495 2.585 0 40 GFAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1COc2ccccc2O1 7923151 ZELJGRQRIOAJDD-KRWDZBQOSA-N 375.808 2.958 0 40 GFAB O=C(CSc1nnc(C2CC2)n1C1CC1)NC[C@H]1COc2ccccc2O1 8250279 QBKWSQOLPRZGRB-AWEZNQCLSA-N 386.477 2.539 0 40 GFAB COCCN(C(=O)CSc1nnnn1Cc1cccs1)C1=CCCCC1 8391667 WONSASMDOQJJQJ-UHFFFAOYSA-N 393.538 2.808 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1F 8331354 CTOQNCAPWWZRIQ-UHFFFAOYSA-N 390.480 2.859 0 40 GFAB CC(=O)c1cccc(NC(=O)C[C@H]2SC(NNc3ccccc3)=NC2=O)c1 8324943 HUZUGKCKRASSOG-MRXNPFEDSA-N 382.445 2.833 0 40 GFAB O=C(NCc1cc2ccccc2o1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 84594972 HGMKSVCEGKBXNP-UHFFFAOYSA-N 388.420 2.896 0 40 GFAB C[C@H](OC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1cn(-c2ccccc2)nn1 95964677 SIBYJHBADIZGCB-INIZCTEOSA-N 397.479 2.799 0 40 GFAB COc1ccc(CCN(C)C(=O)CN(CCc2ccccc2)C(C)=O)cc1OC 89930358 IGZRHNFVJRABHI-UHFFFAOYSA-N 398.503 2.796 0 40 GFAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 409137573 YHPPQUJUCOLWPR-UHFFFAOYSA-N 379.434 2.746 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408714520 SQFDMNPAANUOIK-UHFFFAOYSA-N 386.433 2.516 0 40 GFAB Cc1ccsc1CN1CCN(c2nccn3c(-c4cnn(C)c4)cnc23)CC1 306140412 UTADYISQDCHNGX-UHFFFAOYSA-N 393.520 2.822 0 40 GFAB Cc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1S(N)(=O)=O 32407996 FMJSXSDKKJYOHI-UHFFFAOYSA-N 397.456 2.869 0 40 GFAB Cc1cc2nc3s/c(=C\c4ccc(O[C@@H](C)C(=O)O)cc4)c(=O)n3c2cc1C 408848120 PSXYZUSAKWBXAQ-VQIMKDEXSA-N 394.452 2.926 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1 30836347 XEMUBDRRSSRGRC-UHFFFAOYSA-N 385.445 2.551 0 40 GFAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1nnc(-c2ccccc2)o1 31559863 LYFRSNSZLHDFDX-UHFFFAOYSA-N 391.475 2.535 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(c2ccc(-c3ccco3)nn2)CC1 56903859 JTNQHRXLCYFJBP-UHFFFAOYSA-N 388.431 2.890 0 40 GFAB Cc1ccn(C[C@@H](C)CNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619100 CGOFQNGQFUXQLB-LBPRGKRZSA-N 393.451 2.503 0 40 GFAB O=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NCc1ccco1 70641645 VGZBBZCLNMMDKY-UHFFFAOYSA-N 384.411 2.965 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 30938137 VBOACZJVOFLPBD-HNNXBMFYSA-N 378.475 2.574 0 40 GFAB Cc1nn(C)cc1C(=O)N1CC=C(n2c(C)nc(=O)c3cc(Cl)ccc32)CC1 72348288 INZQGWZWBIBSBE-UHFFFAOYSA-N 397.866 2.787 0 40 GFAB CCc1cccc2c1OCC[C@H]2NS(=O)(=O)Cc1ccc(C(=O)O)cc1 566177541 QWELSBJFPYPLMP-QGZVFWFLSA-N 375.446 2.890 0 40 GFAB O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)Nc1ccc(Cl)cc1 49008241 IECABDVEOXKJLD-UHFFFAOYSA-N 395.806 2.975 0 40 GFAB CN1C(=O)C(C)(C)Oc2cc(NS(=O)(=O)CCOc3ccccc3)ccc21 223447397 YZOTUKUBMUZRSW-UHFFFAOYSA-N 390.461 2.641 0 40 GFAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OS(C)(=O)=O 41108844 ZLFPCWOTVCAWKL-XNTDXEJSSA-N 387.413 2.687 0 40 GFAB CN1CCN(c2ncc(NC(=O)Nc3cccc(C(F)(F)F)c3)cn2)CC1 224266856 HYFKCMIWCMAJJO-UHFFFAOYSA-N 380.374 2.891 0 40 GFAB CCOC(=O)c1ccc(OC(=O)c2cnn(-c3ccc(OC)nn3)c2CC)cc1 40070067 NGYNBEUCEQRVIW-UHFFFAOYSA-N 396.403 2.629 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1 77101115 ZYHPEVHMAQDTJY-UHFFFAOYSA-N 389.399 2.724 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 77184833 NDHQHCYQPLMGAA-OAQYLSRUSA-N 389.517 2.846 0 40 GFAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NCCc1ccc(F)cc1 44902079 YCRMNKDTULONHV-UHFFFAOYSA-N 377.846 2.848 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)OC)c3)ccc21 225775691 GCPLWDSWTCJPKT-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB CCc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCN(CC)CC2)cc1 226260190 TYNGGAWWGSOCDQ-UHFFFAOYSA-N 382.508 2.991 0 40 GFAB CCNC(=O)N1CCC2(CC1)c1ncc(-c3ccc(OC)cc3)n1CCN2C 96263340 FYAILZQNKADSCE-UHFFFAOYSA-N 383.496 2.525 0 40 GFAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(C(=O)c3cccs3)CC2)C1 247973088 ZAYDYPOSEQOAGI-QGZVFWFLSA-N 376.522 2.875 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)CC1 257211937 CBEBMLGAMZDZSU-MPGHIAIKSA-N 398.511 2.801 0 40 GFAB CNS(=O)(=O)c1cccc2c1CCN(Cc1ccc3c(c1)CC(C)(C)O3)C2 585081420 CSWYNAFKGYCJTK-UHFFFAOYSA-N 386.517 2.867 0 40 GFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260892728 FCMBYWHVKGVMMF-VXGBXAGGSA-N 376.906 2.664 0 40 GFAB CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CCCN(Cc2ccccc2)C1 363512563 WAQHGLBPLUQCQK-CBPXPLCBSA-N 385.552 2.609 0 40 GFAB O=S(=O)(c1cccc(NCc2cnc(C3CC3)o2)c1)N1CCC(CO)CC1 628271343 WHMIWMZNVSNJPD-UHFFFAOYSA-N 391.493 2.557 0 40 GFAB Cc1ccccc1C1CC(N(C(=O)CC2(n3cnnn3)CCOCC2)C2CC2)C1 669187730 PDJUGSKSZYXGCB-UHFFFAOYSA-N 395.507 2.815 0 40 GFAB COc1ccc(CCNC(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc1 96025159 GAUDBWLISXVGQE-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB Cc1snnc1C(=O)N1Cc2cn(CC3CC3)nc2[C@@H](COCC2CC2)C1 585110944 DSDGSAUFRCPVDO-MRXNPFEDSA-N 387.509 2.619 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 12205189 LGHFYKHEWJFKKA-OKILXGFUSA-N 379.888 2.732 0 40 GFAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 14820059 SZRUDTDIGQVAKC-UHFFFAOYSA-N 396.896 2.628 0 40 GFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCN(CC4CCCCC4)C3)[nH]c(=O)c2C1 19014784 UGFWGVJGEUIZLI-SFHVURJKSA-N 398.551 2.824 0 40 GFAB COc1nn(C)cc1NC(=O)N1CC(Cc2ccccc2Br)C1 626534049 QRKNEGILCRXQDE-UHFFFAOYSA-N 379.258 2.898 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2nn(C)cc2Cl)c1C 12159718 VMYQZJNZTLIITK-AWEZNQCLSA-N 385.921 2.904 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)c1n[nH]c2c1CCCC2 676020386 JYKNWFJXIRQMGB-QGZVFWFLSA-N 396.447 2.620 0 40 GFAB CN(CC1CCN(c2ncnc3[nH]cnc23)CC1)c1ncnc(C2CC2)c1F 1888917927 VIILAIKIDHJNIB-UHFFFAOYSA-N 382.447 2.512 0 40 GFAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CC(Cn4ccnc4C)C3)ncc12 1889149193 ANYHONLLXSICOG-UHFFFAOYSA-N 378.480 2.856 0 40 GFAB COc1ccc(CNC(=O)CN2CCC[C@](O)(COc3ccccc3)CC2)cc1 2037916008 GXTPHOWDBSLOHL-HSZRJFAPSA-N 398.503 2.607 0 40 GFAB O=C(CN1CCC[C@@]2(CCCN(C(=O)c3sccc3F)C2)C1)N1CCCC1 2056224166 FQFRYADPVDPNTR-HXUWFJFHSA-N 393.528 2.828 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3sc(C)nc3C)n2)cc1 9844418 UOZOBAJQCNKUKC-UHFFFAOYSA-N 398.488 2.812 0 40 GFAB Cc1ccc(C(=O)N2CC[C@H]3OC[C@@H](C(=O)NCc4cccs4)C[C@H]3C2)o1 2055731535 BGICDCKKIPNPEQ-YQQAZPJKSA-N 388.489 2.833 0 40 GFAB COC(=O)C1CCN([C@@H](c2ccccc2)c2sc3nc(C)nn3c2O)CC1 23156774 UBPMVMVJBCGFMQ-HNNXBMFYSA-N 386.477 2.779 0 40 GFAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncccc2C(F)(F)F)C1 585606305 UZSNVKGCOHUQQI-UHFFFAOYSA-N 387.365 2.856 0 40 GFAB Cc1cc(NC(=O)c2ccc(N3CCOCC3)nn2)ccc1Br 77099910 BLWSLPMRSOASOX-UHFFFAOYSA-N 377.242 2.636 0 40 GFAB CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 96103261 BRCAHWJKXRQZKX-HNNXBMFYSA-N 382.844 2.989 0 40 GFAB Cc1c(CC(=O)N2CCC[C@@H]2C(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 25108344 QLJJENPTFPHHGW-MRXNPFEDSA-N 399.443 2.823 0 40 GFAB biogenic Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 40088935 UYKNUUKNSTVOQL-UHFFFAOYSA-N 389.408 2.808 0 40 GFAB O=C(NCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccc(Cl)cc1 50009218 CZRJWVQWFJTATR-UHFFFAOYSA-N 377.916 2.937 0 40 GFAB COc1cc([C@@H](C)NC(=O)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC 40111841 BGGKLEOEPSREPD-CYBMUJFWSA-N 396.443 2.974 0 40 GFAB COc1ccc(-n2c(O)cc(=O)nc2SCC(=O)Nc2ccccc2)cc1 100492771 JWUXXOBOBCOGFT-UHFFFAOYSA-N 383.429 2.678 0 40 GFAB C/C(O)=C1/C(=O)N(c2ccccc2)C(=O)[C@]1(NC(=O)CC(C)C)C(F)(F)F 20468483 WVOYTYPBGMWSFJ-WKOYGUFESA-N 384.354 2.855 0 40 GFAB COC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c1 101660715 GKOLRBUJMBAZEK-VKFLQFAXSA-N 380.448 2.999 0 40 GFAB COCCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nc(C)c1C 32893965 AJNNGJZHICUKEU-UHFFFAOYSA-N 393.509 2.572 0 40 GFAB COc1ccc(NC(=O)c2ccc(CN[C@]3(C)CCS(=O)(=O)C3)cc2)cc1 32850976 JFQDCASWEONYEM-HXUWFJFHSA-N 388.489 2.614 0 40 GFAB COc1ccc([C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c2nccn2C)cc1 29987408 XGTFTVWSGXYCLE-QGZVFWFLSA-N 388.468 2.549 0 40 GFAB CN1CCC(OC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 33005405 RBLDOUHMFLWVNF-UHFFFAOYSA-N 380.444 2.853 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 4559356 KMKHRZHBUONUSU-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1OC 12197250 NOYYYJKJECIXSD-KRWDZBQOSA-N 398.459 2.999 0 40 GFAB biogenic O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7709705 KOEHZDYKQZDINA-UHFFFAOYSA-N 399.472 2.741 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10358830 LVPZSWKIFNVWRB-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB COC(=O)CCCCCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 8429732 YJVHBVLHKLRBON-UHFFFAOYSA-N 393.443 2.849 0 40 GFAB Cc1ccc(OCCCCNC(=O)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 58004032 GLGSNKCXUCQJMN-UHFFFAOYSA-N 390.505 2.848 0 40 GFAB CCCn1nc(C(=O)N2CCN(Cc3ccsc3)CC2)c2ccccc2c1=O 23804972 QLEYUNMVADGLBF-UHFFFAOYSA-N 396.516 2.826 0 40 GFAB COc1ccccc1CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 24706662 MHRCBJLWMLKHOU-CQSZACIVSA-N 379.420 2.668 0 40 GFAB COc1ccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1C 12507680 VCCKWWSGLZMLPZ-GOSISDBHSA-N 379.420 2.611 0 40 GFAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102319126 NAYFKERATFMCGJ-TZHPCZLDSA-N 388.489 2.823 0 40 GFAB O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 56046794 ICSRUQWOUHCUTN-SFHVURJKSA-N 380.510 2.593 0 40 GFAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C3 12601444 LTIGFBSJVSJHAG-UHFFFAOYSA-N 376.445 2.862 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 27125478 JUBMDDQRYBXPED-UHFFFAOYSA-N 396.415 2.910 0 40 GFAB COc1ccccc1CNC(=O)CSc1nnnn1-c1cc(C)ccc1C 3349935 LLWCUHXEYICBAX-UHFFFAOYSA-N 383.477 2.696 0 40 GFAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1Cc1ccc2c(c1)OCO2 3378623 LCBOQEGJMUGZDJ-UHFFFAOYSA-N 384.461 2.985 0 40 GFAB O=C1C[C@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccccc1 44918845 PLWATTZYZITOSY-QGZVFWFLSA-N 386.205 2.671 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492104 WKZNYTXIIFRPGP-CQSZACIVSA-N 385.489 2.745 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CN3C(=O)CCOc4ccccc43)cnc21 12762933 NOTICWMOBWYMSI-UHFFFAOYSA-N 379.420 2.766 0 40 GFAB Cc1cc(=O)c(C(=O)N2CCO[C@@H](c3ccccc3)C2)nn1-c1ccccc1 27908556 YWRVJHLUOAYSCC-HXUWFJFHSA-N 375.428 2.755 0 40 GFAB CC1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 28067502 PINUIXDRVKCQFS-MRXNPFEDSA-N 377.916 2.931 0 40 GFAB CC(C)c1nnc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)s1 29029058 TVTHKVILKAAGMX-UHFFFAOYSA-N 388.493 2.918 0 40 GFAB O=C([C@@H]1Cc2ccccc2CN1C(=O)COc1cccc(F)c1)N1CCCC1 12777033 BOQTXZVESCLYPI-FQEVSTJZSA-N 382.435 2.780 0 40 GFAB O=C(NCc1cc(Br)ccc1F)[C@H]1CC(=O)N(Cc2ccco2)C1 45457561 GNCKXIZQFZBSEX-LBPRGKRZSA-N 395.228 2.846 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cncn1-c1ccccc1 48325478 CSYANXOMLOYDJM-KRWDZBQOSA-N 382.489 2.737 0 40 GFAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccc(F)cc1 45970219 RUCWCQXDMCTDOV-UHFFFAOYSA-N 387.440 2.621 0 40 GFAB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12906974 QUYFUIHVVPSXTG-UHFFFAOYSA-N 396.509 2.647 0 40 GFAB CC(C)CN(Cn1nc(-c2ccccc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12924231 VWZMLFJELYAHHM-INIZCTEOSA-N 394.566 2.721 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1nn(-c2ccc(F)cc2)c2c1CCC2 13012288 HNHIWFVRURYZEK-UHFFFAOYSA-N 394.454 2.748 0 40 GFAB CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC(=O)O)cc1 13132523 XRZCNCRRHZQFAJ-XMHGGMMESA-N 396.443 2.836 0 40 GFAB Cc1cc2nnc(SCC(=O)NC(=O)c3cccn3C)n2c2ccccc12 6039412 OJQQDJPTWFYGAV-UHFFFAOYSA-N 379.445 2.578 0 40 GFAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1N1CCCCC1 13732825 HESQPLIUTFWITD-CABCVRRESA-N 385.942 2.984 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl 14085234 JAEBVFCSFWJMPG-INIZCTEOSA-N 395.864 2.778 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)c1nn(-c2ccccc2)c2c1CCC2 14241328 ZAVODKQLGCLSBW-UHFFFAOYSA-N 392.440 2.787 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 71284871 LZBLDEJBRXMYHI-ZWKOTPCHSA-N 380.444 2.954 0 40 GFAB O=c1c(Cl)c(NCc2ccc(Cl)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 6590128 NAHOHOMISOARKG-GFCCVEGCSA-N 388.276 2.522 0 40 GFAB COc1ccc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1F 6646418 KDSAHGISNIAESW-UHFFFAOYSA-N 388.395 2.698 0 40 GFAB O=C1c2ccccc2C(=O)N1CCn1nnc(-c2cccc(C(F)(F)F)c2)n1 6627428 AQCLPXOSMQMFHK-UHFFFAOYSA-N 387.321 2.655 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1F 7025104 OSYGKTXISGWNBD-UHFFFAOYSA-N 395.369 2.808 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)C1CCN(S(=O)(=O)c2ccccc2)CC1 15636744 OQPYYGBMKQRDFM-UHFFFAOYSA-N 391.518 2.671 0 40 GFAB Cc1nc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)ccc2o1 15626227 DIBJILHQISVLNM-UHFFFAOYSA-N 377.397 2.535 0 40 GFAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C(N)=O)cc1 7428277 JRJLJHXEIFAZSH-UHFFFAOYSA-N 390.442 2.588 0 40 GFAB CCc1cccc(NC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 96001739 FLOCKHXUYYTDAN-INIZCTEOSA-N 382.424 2.638 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16025231 FVKQFELKGIGCNI-MFCZKXCZSA-N 389.883 2.517 0 40 GFAB COc1ccccc1N1C(=O)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 7718510 UEDYAEIEYVWGEE-JKSUJKDBSA-N 392.864 2.961 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1 16469243 DEGJKEHUUZCVQB-UHFFFAOYSA-N 379.416 2.910 0 40 GFAB CN(C)C(=O)Cn1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)nn1 70010303 GDGYGJYHNZGQEB-UHFFFAOYSA-N 383.383 2.550 0 40 GFAB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 70173472 RUAQCFIYLGHWAB-NXEZZACHSA-N 381.723 2.850 0 40 GFAB O=C(OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)c1cnccn1 8493838 UVZQCJMMLWENHI-GOSISDBHSA-N 375.384 2.800 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1CCCC21CCN(C(=O)NC2CC2)CC1 306124487 BRCCWMQRWZWRTO-UHFFFAOYSA-N 394.479 2.530 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCc2ccccc2[C@@H]1CO 95461660 IHUJTTFHZSMRHQ-AWEZNQCLSA-N 387.379 2.866 0 40 GFAB CC[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CCN1C[C@@H](C)O 95403647 HLFWMXNDJMKGGN-UTKZUKDTSA-N 386.536 2.832 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2cn[nH]c2-c2ccccn2)cc1Cl 89406805 BXVSFTUMNLIVMO-UHFFFAOYSA-N 392.824 2.713 0 40 GFAB COC(=O)C1CCN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22609650 KXVMQHZPEQMYCN-AWEZNQCLSA-N 390.440 2.610 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1Cl 408558167 IQQVQLZTSNGESB-JTQLQIEISA-N 386.832 2.793 0 40 GFAB CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 35291338 WMYOVJLQFZLTKH-HXUWFJFHSA-N 398.461 2.727 0 40 GFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCc2sccc2C1 32902874 QZZVODDHUNCXRD-UHFFFAOYSA-N 396.559 2.722 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)ccc1F 70636456 QTFNSESXBFVRMZ-OAHLLOKOSA-N 377.359 2.863 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223588331 BTQPCWLSDKOGPD-RTBURBONSA-N 380.473 2.543 0 40 GFAB COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Br)ccc32)cc1 226787337 SLNKWLJQVMBOHD-KRWDZBQOSA-N 376.206 2.870 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NCc2ccco2)s1)c1ccccc1Cl 222878870 IGZDUQHPUQBBQW-UHFFFAOYSA-N 398.853 2.515 0 40 GFAB Cn1nnc2c1C[C@H](c1nc(-c3ccc(OC4CCOCC4)cc3)no1)CC2 573170724 JGHJPHHAFXPBHW-CQSZACIVSA-N 381.436 2.695 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2cccc(C)c2)cc1 224000706 PYBHTAYXIWRCQI-UHFFFAOYSA-N 376.478 2.590 0 40 GFAB COC(=O)C[C@@H]1Oc2cc(C)ccc2N(Cc2cccc(C(=O)OC)c2)C1=O 49597399 HHDGAIOTNPZRGM-SFHVURJKSA-N 383.400 2.639 0 40 GFAB COc1cccc2nc(C[C@H]3CN(C(=O)NC(C)C)CC[C@H]3CC(=O)O)[nH]c12 514289096 OIBGKKNBXJUHDF-KBPBESRZSA-N 388.468 2.645 0 40 GFAB biogenic,in-vitro CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220655014 XEXDCBYIKSWHGX-IBGZPJMESA-N 390.505 2.865 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cc(Br)cs1)C2 618254200 ORHRNCHDFXZWEW-NSHDSACASA-N 381.299 2.654 0 40 GFAB CCCc1noc(CN2CCC(OC)(c3nc(-c4ccccn4)no3)CC2)n1 578210570 ONLFBBCVSKDIAE-UHFFFAOYSA-N 384.440 2.605 0 40 GFAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OCC)c(C)cc2OCC)C1 95946174 QJLTXJQXQKJIIW-HNNXBMFYSA-N 399.509 2.756 0 40 GFAB CC(=O)N[C@](F)(Cc1ccccc1)C(=O)N1CCC(c2cncc(C)n2)CC1 257270658 MVDGDJFHDUFMOW-OAQYLSRUSA-N 384.455 2.536 0 40 GFAB CCc1ccc(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)cc1 256046314 FFICYYLTVQONKZ-UHFFFAOYSA-N 391.475 2.850 0 40 GFAB CC(C)(C)n1cc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)nn1 364575648 FYCNTTGKPXOIGA-UHFFFAOYSA-N 389.451 2.616 0 40 GFAB Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2Cc2ccccc2)cc1 1121906665 LGYWIJMUDAHVKP-NRFANRHFSA-N 389.503 2.823 0 40 GFAB Cc1nn(C)cc1-c1ccnc(N2CCC[C@@H]2c2nc(-c3ccncc3)no2)n1 48435810 PEIRIVHSKVTKKA-QGZVFWFLSA-N 388.435 2.972 0 40 GFAB CC1(C)Oc2cc(-c3cccc(CN4CCCS4(=O)=O)c3)ccc2NC1=O 665197981 NKPSYKMBSCIYBV-UHFFFAOYSA-N 386.473 2.999 0 40 GFAB Cc1nnc2c3ccccc3c(NCCS(=O)(=O)c3ccc(F)cc3)nn12 672239182 GLBMNYROOBILAN-UHFFFAOYSA-N 385.424 2.611 0 40 GFAB COC(=O)c1ccccc1C(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099408 YJBRYACYRQIYEO-UHFFFAOYSA-N 387.457 2.552 0 40 GFAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 664721552 SJWGHWLSOYHWDC-MISYRCLQSA-N 395.413 2.742 0 40 GFAB CCN(C(=O)C(=O)NCCCN1CCc2ccccc2C1)c1cccc(F)c1 52680135 HSMYJVYEHUZQHE-UHFFFAOYSA-N 383.467 2.743 0 40 GFAB CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)c1c(F)c(F)cc(F)c1F)C2 598150641 NYNCHUFDTLDLEU-DYBLOJMWSA-N 389.345 2.673 0 40 GFAB CN1CCC[C@@]2(CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)C2)C1 655144776 ZKJZRHFSCMZTHX-HSZRJFAPSA-N 394.519 2.524 0 40 GFAB CC[C@@H]1OC2(CCN(c3ncnc4cc(Br)ccc34)CC2)NC1=O 1615589828 LEXLCEKDOWCDFV-AWEZNQCLSA-N 391.269 2.614 0 40 GFAB COc1ccc([C@@H](CC(=O)NCc2cccnc2)c2oc(C)cc(=O)c2O)cc1 1547139423 PUTXDVAVTSXCOF-GOSISDBHSA-N 394.427 2.896 0 40 GFAB biogenic COc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(OC)c1 5279258 SPVMWSFDLSLBAE-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB O=S1(=O)CC[C@@H](Nc2ncc(-c3cccs3)c(-c3nccs3)n2)C1 13266531 LHWUWBCGBAGOIK-SNVBAGLBSA-N 378.504 2.928 0 40 GFAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCCc1c[nH]c2ccccc12 14001112 YEOJBWILUJNIPK-UHFFFAOYSA-N 385.427 2.718 0 40 GFAB CCc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1ccc(Cl)cc1 14607690 YJCPPMMTIAGXMW-UHFFFAOYSA-N 398.898 2.703 0 40 GFAB C[C@H](NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)c1ccccc1 15858218 NKURKSWWQUEPQJ-LBPRGKRZSA-N 392.864 2.898 0 40 GFAB CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 19020021 CNFHZOOCOZCMJO-LEWJYISDSA-N 383.467 2.908 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(C)cc2)N2CCCN32)cc1 19169374 IVURGWXIBVBMFH-AQNXPRMDSA-N 377.444 2.539 0 40 GFAB CCn1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 19711019 MFKQJTZALIJZEK-HNNXBMFYSA-N 382.487 2.875 0 40 GFAB Cc1nc2ccccn2c1CC(=O)N1CCc2nc(-c3cncnc3)sc2C1 19719865 CWPXVPPWOMAOPW-UHFFFAOYSA-N 390.472 2.684 0 40 GFAB COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(CO)o3)C2)CC1 19758038 XCWWEZRTNWDFCN-GOSISDBHSA-N 385.508 2.567 0 40 GFAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)NCc1ccccc1 19819201 IICQKUSBNTVJJG-SFHVURJKSA-N 396.418 2.942 0 40 GFAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 6326874 IQAFMPIZPBOZJA-RIYZIHGNSA-N 377.418 2.709 0 40 GFAB O=C(NCc1nnnn1-c1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)cc1 528170532 CVUQWXZCNILYDN-GOSISDBHSA-N 396.882 2.597 0 40 GFAB CC[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)O 649261474 JDNAVVIMRADVLM-QMTHXVAHSA-N 387.263 2.825 0 40 GFAB C[C@@H]1CCc2noc(C3CCN(C(=O)CN(C)C(=O)c4ccco4)CC3)c2C1 12119890 NEBSGNMTCGVPAO-CQSZACIVSA-N 385.464 2.871 0 40 GFAB C[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 13057367 RPVGLZIQKPTUNO-CQSZACIVSA-N 399.944 2.795 0 40 GFAB Cc1cc2c(N3CCC(Cn4cnc5cc(F)ccc5c4=O)CC3)nccn2n1 1888922174 PMTSQQJMFMQTJI-UHFFFAOYSA-N 392.438 2.803 0 40 GFAB COc1ccc(OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 20836915 UBLLNKWZPKOWSO-UHFFFAOYSA-N 391.445 2.708 0 40 GFAB COc1cccc(COC[C@H](O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1 23389289 FSTCRTIGHGAZOD-JOCHJYFZSA-N 398.503 2.598 0 40 GFAB O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 25460796 UDRAQRVIKXTMNC-LJQANCHMSA-N 383.879 2.790 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 36413000 GVCMCHHZDJLEDC-DLBZAZTESA-N 394.493 2.713 0 40 GFAB CCCCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)OCC 2724030 KYPNVYBXGZYKCW-UHFFFAOYSA-N 382.511 2.725 0 40 GFAB Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccccc1)C[S@@](=O)C2 4224699 QKFWSSCLIYHDRQ-MHZLTWQESA-N 381.457 2.961 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1ccccc1F 4686476 BNVBQOKWNFBXFY-INIZCTEOSA-N 387.333 2.699 0 40 GFAB O=C(NCCOc1ccc(-c2ccco2)nn1)c1ccc(Br)o1 10324672 WFGSPSLGNFPAHM-UHFFFAOYSA-N 378.182 2.901 0 40 GFAB COc1cccc(CN2C[C@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)c1 2055796013 KCRQWWKIJARELD-HXUWFJFHSA-N 381.476 2.958 0 40 GFAB CN1CCN([C@@H](CNC(=O)NCc2ccc(F)cc2)c2ccsc2)CC1 22767032 WHGMGYOQRCQKJI-SFHVURJKSA-N 376.501 2.675 0 40 GFAB C[C@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23182017 YKXKBSHDWBQMRC-KBXCAEBGSA-N 397.541 2.688 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@@H](O)COC[C@@H]1C[C@H]3CC[C@H]1C3)CC2 106219879 CYWXNJFSKDHIKG-CPLUKWAASA-N 375.509 2.876 0 40 GFAB biogenic CCc1nc2ccc(C(=O)N3CC(Oc4cc(C)nc5ncnn45)C3)cc2s1 618255718 IIUVPUWMIHRJNS-UHFFFAOYSA-N 394.460 2.508 0 40 GFAB COc1cc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)ccc1O 244933191 CGEDRCKHRONNKJ-UYHISHBKSA-N 379.420 2.651 0 40 GFAB O=S(=O)(NC[C@H](OCCO)c1cccs1)c1ccc(C(F)(F)F)cc1 575620428 KIKZJZHCHDDHIV-ZDUSSCGKSA-N 395.424 2.795 0 40 GFAB CCn1c(C)cc(O)c(C(c2cccnc2)c2c(O)cc(C)n(CC)c2=O)c1=O 7570818 LZLPYFTXOKSDQI-UHFFFAOYSA-N 395.459 2.653 0 40 GFAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10404584 XXVYKRMYUSBHNZ-UHFFFAOYSA-N 390.852 2.990 0 40 GFAB COc1cc(/C=C/C(=O)NCC2(c3ccccc3)CCC2)ccc1OCC(N)=O 40039029 XFTWSPDGKYAHMA-PKNBQFBNSA-N 394.471 2.811 0 40 GFAB O=C(CS(=O)(=O)Cc1c(F)cccc1Cl)N1CCc2ccccc2C1 40106080 KZAHOKIBWXEXIF-UHFFFAOYSA-N 381.856 2.979 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 30861773 PFHLPLUDQFGFKO-MRXNPFEDSA-N 383.448 2.537 0 40 GFAB Cc1ccc(-n2nc(C)c(C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)n2)c(C)c1 31298965 NICNUIKRDJNRDN-GOSISDBHSA-N 386.402 2.934 0 40 GFAB COc1ccc(N2C(=O)[C@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)cc1 101377221 VHDWCHJWNSAJTG-MRXNPFEDSA-N 384.457 2.771 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccnn1Cc1ccccc1 32738444 PVGYYPSDKIYOBF-UHFFFAOYSA-N 395.463 2.515 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1 32796281 MEIAZRXXTGWDQD-SFHVURJKSA-N 391.471 2.869 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32906374 QZBPNRGBAYLMPP-GOSISDBHSA-N 395.484 2.515 0 40 GFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cn2cncn2)cc1 21895618 IWXHJSZJEUDOMW-UHFFFAOYSA-N 379.811 2.813 0 40 GFAB O=C(CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccco1)C2)NCc1ccc(F)cc1 4908212 CESDEEBXCSJADE-YQQQUEKLSA-N 399.466 2.850 0 40 GFAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 4927505 GSZSUTKRXOHHCF-UHFFFAOYSA-N 392.314 2.762 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCc2ccccc21 6112242 YDHUUNQCSRYDAV-UHFFFAOYSA-N 384.233 2.748 0 40 GFAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1c(F)cccc1Cl 6922263 NIVDCOBGQXXLOZ-MDBPOYHNSA-N 389.814 2.699 0 40 GFAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1C 8330588 VIWIHTSOJFSYMG-CQSZACIVSA-N 390.461 2.575 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 8518969 AOERGXOWXRWAGU-UHFFFAOYSA-N 394.496 2.902 0 40 GFAB Cc1cc(C)c(C)c(OC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)c1 54191671 JVRJEXKYKZADGT-UHFFFAOYSA-N 380.448 2.909 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@@H](C)O[C@H](C)C1 104617067 JYQRAOVQVWWAHK-IOASZLSFSA-N 384.929 2.827 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CCS(=O)(=O)C1CCCC1 47793929 VGPWDMNVELNHEI-UHFFFAOYSA-N 375.437 2.994 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20041601 TZINQFIGSNUXIN-CQSZACIVSA-N 394.468 2.868 0 40 GFAB O=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)NC2CC2)c1 12535847 MQOHYHGKFQJKJX-UHFFFAOYSA-N 384.461 2.506 0 40 GFAB Cc1nc(C)c(C(=O)NCc2cc(O)n3nc(-c4cccnc4)cc3n2)s1 100744367 FNOXJVZNEDUAOV-UHFFFAOYSA-N 380.433 2.500 0 40 GFAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1 12536889 IWUPRTGTFQCTGD-UHFFFAOYSA-N 399.520 2.899 0 40 GFAB CCc1ccc([C@H](CNS(=O)(=O)c2cccc(C(=O)OC)c2)N(C)C)cc1 24357711 GGLCHLUTEFKCBY-IBGZPJMESA-N 390.505 2.617 0 40 GFAB CC(C)[C@H](CNC1=NS(=O)(=O)c2ccccc21)N1CCc2ccccc2C1 24745514 HHBONBORHYQPEH-IBGZPJMESA-N 383.517 2.808 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C2[C@H]4CCCC[C@H]24)C3)CC1 100748919 YHPQWKUBOZHWSY-ROUUACIJSA-N 382.508 2.523 0 40 GFAB O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CCN(C(=O)c2ccco2)CC1 28575632 HBBAHBBFGJUPEB-UHFFFAOYSA-N 398.850 2.776 0 40 GFAB Cc1noc(COC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)n1 25448198 ZKWVGBDNLWCPKV-UHFFFAOYSA-N 387.465 2.959 0 40 GFAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 25456582 KLYYHEBHMUWVPX-UHFFFAOYSA-N 392.459 2.981 0 40 GFAB COc1ccc(CCNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 44206096 LRZMPBHCUQEJPS-UHFFFAOYSA-N 381.432 2.708 0 40 GFAB C[C@H](C(=O)NCCSc1ccccc1)N(c1ccccc1)S(C)(=O)=O 57411683 ITYNUIJNQPGXRR-OAHLLOKOSA-N 378.519 2.750 0 40 GFAB COC(=O)Cc1csc(NC(=O)CSCc2nc3ccccc3[nH]2)n1 58208444 URTCYDBXOJNOHR-UHFFFAOYSA-N 376.463 2.607 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3388775 RQFIFTJPCUCHEW-SFHVURJKSA-N 379.460 2.510 0 40 GFAB COc1ccccc1CN1CC(=O)N2[C@@H](CCc3ccccc3)SC[C@H]2C1=O 2110064 KKXBKRJLAZNDPM-GHTZIAJQSA-N 396.512 2.940 0 40 GFAB biogenic Cn1cc([C@H](C(=O)O)N2CCN(c3ccccc3)CC2)c2cc(C(=O)O)ccc21 36360433 DFEVJGJBDOKMGK-HXUWFJFHSA-N 393.443 2.824 0 40 GFAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NCc1cccs1 12789082 CWQPOLCAOMGXDQ-AWEZNQCLSA-N 386.473 2.732 0 40 GFAB CC(C)OCc1cccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)c1 48341909 IKLUMGSOBUPEOD-UHFFFAOYSA-N 381.476 2.972 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)ccn1 48326598 AVBLVISGQQCTHH-INIZCTEOSA-N 395.488 2.558 0 40 GFAB Clc1ccc(-c2nc(CSc3nnnn3C[C@@H]3CCCO3)no2)cc1 29394380 GXYBXRNLYOZWCQ-LBPRGKRZSA-N 378.845 2.848 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C[C@@H]1COc2ccccc2O1 12921712 OPBSCUMSGVPVTO-JKSUJKDBSA-N 395.459 2.522 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)OC)c(F)cc2F)c1 13012550 QHEVEYOVJFEHHP-UHFFFAOYSA-N 399.371 2.647 0 40 GFAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207958 ZEOBYTKLCKZZPI-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB CCc1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)O)cs2)N(C)C)cc1 13309922 LXAYWFJXOAZETI-HNNXBMFYSA-N 382.507 2.590 0 40 GFAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCNC(=O)c1ccccc1 8751293 CUDZKFDHBWZESM-CTNGQTDRSA-N 377.488 2.949 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 6129734 DGOJNNQRJNQRHG-CYBMUJFWSA-N 387.509 2.648 0 40 GFAB C[C@@]1(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CCS(=O)(=O)C1 49959176 SWEWXYOYKACIEE-QGZVFWFLSA-N 376.459 2.863 0 40 GFAB CCCN1C(=O)[C@@](O)([C@@H]2COC(C)(C)CC2=O)c2cc(Br)ccc21 5274378 MSPZCHQDXXVZOI-ACJLOTCBSA-N 396.281 2.778 0 40 GFAB C[C@H]1C(=O)N(CC(=O)N2CCSc3ccccc32)C(=O)N1c1ccccc1 14170860 AHJXWXYFALABOC-AWEZNQCLSA-N 381.457 2.983 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1 5538502 JORIYSHBXHBYDB-UHFFFAOYSA-N 383.360 2.549 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(C)oc2C)c(=O)[nH]c1=O 6653879 ZKQYIJROYVLVIP-UHFFFAOYSA-N 390.484 2.822 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 6779474 KBUDHXSBEIVQQM-VSUXGOSMSA-N 383.488 2.908 0 40 GFAB NC(=O)COc1ccc(/C=C2\SC(=O)N=C2Nc2ccc3c(c2)OCO3)cc1 72402094 FXLIPAHPIYIBPS-APSNUPSMSA-N 397.412 2.998 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(C)c1 20636884 XOOXWDQEPNQMHK-VQTJNVASSA-N 391.471 2.760 0 40 GFAB COc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 9387614 YDJQXHMZNNBUHW-UHFFFAOYSA-N 386.473 2.683 0 40 GFAB CN1CCC(N(C)C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 7168305 ZIHPGWAQOOGXQJ-UHFFFAOYSA-N 390.487 2.611 0 40 GFAB Cc1noc(C)c1COc1cccc(C(=O)NCc2nnc3ccccn23)c1 7898689 UMKHPWSSKZJEKA-UHFFFAOYSA-N 377.404 2.843 0 40 GFAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccccc2)cc1 9238799 GWJYBYCEVLOHLE-MSOLQXFVSA-N 379.489 2.970 0 40 GFAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCOc1ccc(Br)cc1 8192626 PFJFADBCKRUMSM-INIZCTEOSA-N 389.249 2.991 0 40 GFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CC1 8183745 UQJAHHHAIGAFHV-UHFFFAOYSA-N 388.445 2.997 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 95966252 CVXZTIAATMTVFV-QGZVFWFLSA-N 379.932 2.737 0 40 GFAB NC(=O)CC[C@H]1CCCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)C1 95958819 BJJVDSOEKDEENH-MRXNPFEDSA-N 378.476 2.766 0 40 GFAB CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(OC)cc1 39985206 FEFAURNWPVCQJY-UHFFFAOYSA-N 380.510 2.713 0 40 GFAB CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 72363056 GTMIRHFQSQOGEQ-HNNXBMFYSA-N 397.479 2.671 0 40 GFAB O=C(O)[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 218184158 DUWBNELAXSPBOM-XHSDSOJGSA-N 380.805 2.709 0 40 GFAB CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241282 BVBHUACEVGIIEV-SJORKVTESA-N 378.881 2.958 0 40 GFAB Cc1cnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)s1 40283816 ZXRIGMVAAADNRH-LJQANCHMSA-N 384.461 2.778 0 40 GFAB COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 226037766 QUMXNHXDORCARQ-UHFFFAOYSA-N 390.505 2.904 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC1CCCCC1 225602951 VTVZGDMFXWTYPP-UHFFFAOYSA-N 394.537 2.861 0 40 GFAB COCCNC(=S)Nc1nc(C)c(Br)cc1Br 223884382 AVDGZQXYCZSTLF-UHFFFAOYSA-N 383.109 2.848 0 40 GFAB COc1ccc([C@H](CC(=O)NCCC2=CCCCC2)NS(C)(=O)=O)cc1 225954720 NABXDQHESUCZHP-SFHVURJKSA-N 380.510 2.682 0 40 GFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 85332861 JFVOCWZGXLCLCR-PBHICJAKSA-N 376.453 2.684 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 224994684 VYXVUCOOAJGFRV-UHFFFAOYSA-N 380.491 2.854 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1C 226045254 WPXDTRLBXXVKND-UHFFFAOYSA-N 390.505 2.904 0 40 GFAB Cc1cc(Br)c(S(=O)(=O)N2CCOCC2)cc1Br 96305691 HAHSAAAMHDNZIV-UHFFFAOYSA-N 399.104 2.541 0 40 GFAB CCn1ccc(NC(=O)C[C@@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)n1 257259943 LASRMZXPLAHMQB-INIZCTEOSA-N 394.479 2.740 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514468 CNYKRINOIQDUIT-NUJGCVRESA-N 380.849 2.997 0 40 GFAB Cc1ccccc1-n1nc(C(=O)O)c(N2CCN(c3ccccc3F)CC2)n1 256046148 DBIRZTLDYJDNIY-UHFFFAOYSA-N 381.411 2.740 0 40 GFAB CO[C@@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@]12CCCO2 257215290 CPMCCBSXOJXFFU-WBVHZDCISA-N 383.286 2.658 0 40 GFAB Nc1nnc(C2CCN(CCC(=O)Nc3ccccc3C(F)(F)F)CC2)o1 639739308 MTIXURKNAZCNSE-UHFFFAOYSA-N 383.374 2.879 0 40 GFAB CCC(=O)c1cccc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 660150869 MKDKIINVOTVNKP-KRWDZBQOSA-N 394.537 2.543 0 40 GFAB COc1ccc([C@H](NC(=O)CNC(N)=O)c2ccc(C(F)(F)F)cc2)cc1 679368243 CAYDOGUQXBSYJG-MRXNPFEDSA-N 381.354 2.588 0 40 GFAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1 575404159 MOUXULXOAAIIPW-GOSISDBHSA-N 392.459 2.729 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O)N1CCCC1 5006877 VRECHPJNNUYWCZ-NTCAYCPXSA-N 389.477 2.929 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 5192046 LUSFOTBMENBMHJ-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nn(C)c4ncccc34)C2)cc1 12219625 HXNURIOFYPHBLU-INIZCTEOSA-N 398.488 2.739 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 12365159 KWPAFDAVXBBACX-KGLIPLIRSA-N 383.427 2.676 0 40 GFAB O=S1(=O)CC[C@H](Nc2ncc(-c3cccs3)c(-c3nccs3)n2)C1 13266533 LHWUWBCGBAGOIK-JTQLQIEISA-N 378.504 2.928 0 40 GFAB Cc1ccc2[nH]cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c2c1 13565941 AMCVFQUNKDVJFV-UHFFFAOYSA-N 386.452 2.921 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 13580538 YHKFUNIIOBNDIE-AWEZNQCLSA-N 398.500 2.684 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1C 13632450 GTKDADBRMPUTLE-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 15674650 GEBNKKHSISYLNY-UXHICEINSA-N 392.459 2.927 0 40 GFAB biogenic,in-vitro O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1 16028067 XKASNZBRQZPZOD-OKILXGFUSA-N 377.238 2.729 0 40 GFAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19448289 GBECETCYTDXDQS-SFHVURJKSA-N 384.455 2.653 0 40 GFAB COc1cccc(Nc2noc3c2CN(C(=O)COc2ccccn2)CC3)c1 19565915 BTTADMLFWUCTHV-UHFFFAOYSA-N 380.404 2.786 0 40 GFAB Cc1cccn2cc(C(=O)N[C@H](CCN3CCOCC3)c3ccccc3)nc12 19718780 KSVNSCQOZVYVLV-LJQANCHMSA-N 378.476 2.836 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nnc(C)[nH]3)c(=O)c2c1-c1ccccc1 19962858 WIUVMUIPQAYTIJ-UHFFFAOYSA-N 375.388 2.574 0 40 GFAB COC[C@@H](C)NC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 12087250 GAAGKRNXSRUSRQ-BYKITBGFSA-N 380.872 2.542 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](n4cc(C5CC5)nn4)C3)CC2=O)cc1C 244986239 JMFIWFLORZJTAZ-MJGOQNOKSA-N 393.491 2.599 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)CCn2c(C)cc3ccccc32)CC1 19126796 XZCQAPFVNNIYCN-UHFFFAOYSA-N 380.492 2.898 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)s1 253405160 RXIKCQUIZMJKPU-OAHLLOKOSA-N 386.564 2.972 0 40 GFAB Cc1ccc(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(C)c1 5267945 NIKBGPHBYSILFE-UHFFFAOYSA-N 375.475 2.742 0 40 GFAB O=C(Cn1c(CO)cnc1SCc1cccc(C(F)(F)F)c1)NC1CC1 9827502 ALCLBKJBQNGMIG-UHFFFAOYSA-N 385.411 2.965 0 40 GFAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1cccs1 11027635 VERXQHMMAIJOFU-HNNXBMFYSA-N 378.519 2.998 0 40 GFAB COc1ccc(NC(=O)Cn2cnc(-c3ccc(F)cc3)cc2=O)cc1OC 13808042 IDFVNPUIZRQUEY-UHFFFAOYSA-N 383.379 2.705 0 40 GFAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850567 BSLGNRIDTLTPSF-AWEZNQCLSA-N 385.445 2.553 0 40 GFAB O=C(Cn1cnc2ccccc21)NC[C@H]1CCCN1c1nc2ccccc2o1 206774662 CUUZOAXIEWTKPY-OAHLLOKOSA-N 375.432 2.963 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2oc(C)nc2c1 22973457 KVZLXINRVALIKI-SFHVURJKSA-N 399.472 2.851 0 40 GFAB CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O 40090732 HLJUPVJOVSCIKK-MRXNPFEDSA-N 384.498 2.627 0 40 GFAB O=C(CSCc1nc2ccccc2c(=O)[nH]1)NCCc1c[nH]c2ccccc12 40264337 BFMRFJSZVPRRAQ-UHFFFAOYSA-N 392.484 2.997 0 40 GFAB COc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c1 20274514 JFTWGVWPIATALV-UHFFFAOYSA-N 391.471 2.972 0 40 GFAB CN(C)C(=O)CSc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 20893077 WYYIMPNALOBKRK-UHFFFAOYSA-N 397.544 2.825 0 40 GFAB O=C(CNC(=O)c1cccc(Cl)c1)NCCCN1CCc2ccccc2C1 29840044 DAQLOJCKQLMQKN-UHFFFAOYSA-N 385.895 2.634 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)C1 698848 BGGICLLFAFKUGP-IRXDYDNUSA-N 390.480 2.550 0 40 GFAB Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)oc2c(Cl)cccc12 32966970 SDIPFOJWJMLNST-HNNXBMFYSA-N 376.840 2.858 0 40 GFAB O=C(COc1ccc(C(F)(F)F)cc1)NCc1nc(-c2cccnc2)no1 78597111 ZYGABSAVVUFALY-UHFFFAOYSA-N 378.310 2.846 0 40 GFAB COC(=O)c1cccn1C1CCN(C(=O)c2ccccc2Cn2cccn2)CC1 78869723 RTHRVYYWEAGZTL-UHFFFAOYSA-N 392.459 2.997 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H]1C[C@@H](O)c1cccs1 79045453 RVJRVNHARVAPLR-RHSMWYFYSA-N 383.473 2.573 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 6022566 SFMXEDHIGSXFLA-UHFFFAOYSA-N 384.417 2.922 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2CC)cc1 6880499 ZWNAOWNWDVSNJV-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(OCC)c1O 6630740 RIIJPOGBQNHXDV-MHWRWJLKSA-N 393.399 2.581 0 40 GFAB CCN(CC(=O)NCCc1c[nH]c2ccccc12)CC(=O)NCc1cccs1 7682189 IZEHNNOTPPHJBA-UHFFFAOYSA-N 398.532 2.526 0 40 GFAB CCCCCNC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)NCCC)c1 10009924 ZYUGDHDBGXCHPK-UHFFFAOYSA-N 381.542 2.895 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2ccnc(Cl)c2)n([C@@H]2CCS(=O)(=O)C2)n1 22615068 GXGKLZILFXLONM-GFCCVEGCSA-N 396.900 2.841 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1 23640188 HZTJSIDJEZEUEY-UHFFFAOYSA-N 391.880 2.654 0 40 GFAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 116222778 ZFRSQSKEBDLCBG-LBPRGKRZSA-N 385.532 2.852 0 40 GFAB COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(OC)c1 24210231 VCYXOIXQOXAIKM-UHFFFAOYSA-N 382.460 2.597 0 40 GFAB Cn1nc(CC(=O)N[C@H](c2ccccc2)C(F)(F)F)c2ccccc2c1=O 84297787 GLRNYYCREXYAAW-QGZVFWFLSA-N 375.350 2.896 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCS(=O)(=O)C1CCCC1 47903143 SCRUDJPCNHZMQH-UHFFFAOYSA-N 389.521 2.637 0 40 GFAB CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)ccc1O 1291915 WWXSGXCVMLKFJZ-GOSISDBHSA-N 399.451 2.942 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1COc2ccccc2C1 24632427 OVUMAUNKWZITMY-AZUAARDMSA-N 384.451 2.567 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 56082544 NIJHTNFIFJRAKL-INIZCTEOSA-N 381.432 2.539 0 40 GFAB O=C(NC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1)c1cccs1 56440360 ROQWQWHUUBJQQB-UHFFFAOYSA-N 381.457 2.624 0 40 GFAB CC[C@@]1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CCC(=O)NC1=O 57121538 BJYOURSLMWEANE-KRWDZBQOSA-N 378.475 2.633 0 40 GFAB O=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 3319266 FUBVJRUNZZVZDL-UHFFFAOYSA-N 392.205 2.902 0 40 GFAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C(N)=O)c2ccccc2)c1 10268226 LJPZUVHDRGEZMG-KRWDZBQOSA-N 395.488 2.649 0 40 GFAB CCc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1S(N)(=O)=O 58047910 JSPPBKWLHPJUSM-UHFFFAOYSA-N 384.461 2.643 0 40 GFAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 2106261 VTUBHADBCXCYLY-IWCLSRSZSA-N 385.460 2.737 0 40 GFAB aggregator,biogenic Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)COc2ccccc2C)cc1 55693373 PMMJSDKWGGYGHJ-KRWDZBQOSA-N 390.505 2.508 0 40 GFAB Cc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)c1 2257896 XCTKZJZICGUBCJ-UHFFFAOYSA-N 383.411 2.981 0 40 GFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)N[C@@H]1CCCc2ccccc21 36384781 JADOLUODDUDZJO-GOSISDBHSA-N 383.517 2.700 0 40 GFAB CCN(C(=O)[C@@H](C)OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 11318250 VRVUNJNMNMDXES-CQSZACIVSA-N 375.446 2.689 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)CCn1c(=O)n(C)c2ccccc21 45738597 NDDLANARZAFRKC-UHFFFAOYSA-N 376.416 2.725 0 40 GFAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 12895868 ADMPVKQKYZHVFC-UHFFFAOYSA-N 380.187 2.541 0 40 GFAB Cc1cccc([C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)N2CCOCC2)c1 29420496 VRUNOZZYCZPCJU-NRFANRHFSA-N 393.487 2.683 0 40 GFAB COc1cccc(COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 11833397 FMCHGLZTQZOCRI-HNNXBMFYSA-N 385.416 2.809 0 40 GFAB CCN(CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1OC 13058120 WYNDYBAVCSMMKZ-UHFFFAOYSA-N 377.391 2.873 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)NCCOc1ccc(Cl)cc1 18151061 GOOIPIRCFZCMGU-UHFFFAOYSA-N 376.840 2.664 0 40 GFAB CCn1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 8709902 RRFOHVIORHPUOC-CQSZACIVSA-N 386.477 2.670 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 6150518 UVHIHOCMPCFMSX-LJQANCHMSA-N 394.471 2.822 0 40 GFAB C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)NC[C@H]1CCCO1 8920385 XDRZZEMJKUQMAS-SJLPKXTDSA-N 382.460 2.679 0 40 GFAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 14241092 SFUBCFWTVFBGNG-UHFFFAOYSA-N 377.485 2.874 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Br 9426948 RDVNJQOOSBOBSL-NSHDSACASA-N 383.267 2.755 0 40 GFAB COc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)c1 6743348 PNFRVFPSWOBHCP-LJQANCHMSA-N 379.412 2.956 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 4891027 VTXFUOFOVMCEBS-OAHLLOKOSA-N 378.428 2.948 0 40 GFAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)NC(=O)NCc1ccccc1 4895227 LTJAVMYRIOOPSB-OUKQBFOZSA-N 389.411 2.817 0 40 GFAB Cn1c(SCC(=O)N2CCN(c3ccccc3Cl)CC2)nnc1C1CC1 7229978 SCNKYMQJBKFTJT-UHFFFAOYSA-N 391.928 2.787 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)n[nH]1 7472712 XMSAITIRUNJMRA-KRWDZBQOSA-N 380.473 2.880 0 40 GFAB Cc1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 9254986 SVFYDTALXHWXDO-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB O=C(c1cncc(Br)c1)N1CCN(C(=O)c2cccs2)CC1 7899725 JOGLBAULGZTLAT-UHFFFAOYSA-N 380.267 2.504 0 40 GFAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1cccs1 22976141 DICCRJOVTZMZNK-SECBINFHSA-N 378.928 2.961 0 40 GFAB Nn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccco1 16633014 UIVZXHVBWODEOZ-UHFFFAOYSA-N 385.236 2.685 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@]2(CNCCN2C(=O)OCc2ccccc2)C1 91302726 WBVPUSRPXQVDJC-FQEVSTJZSA-N 375.469 2.608 0 40 GFAB in-vitro C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCC3)C1=O 9336888 GGOIAEAJIPFCPB-FQEVSTJZSA-N 383.473 2.825 0 40 GFAB COC(=O)c1ccc(NC(=O)COc2cc(C(C)=O)ccc2NC(C)=O)cc1 9691881 OTEXSSPLHZNVLS-UHFFFAOYSA-N 384.388 2.652 0 40 GFAB COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCCC1 9622063 OTGJCSUBMYKGNV-UHFFFAOYSA-N 399.491 2.880 0 40 GFAB c1cncc(-c2nnc3n2C[C@@H](CSc2nnc4n2CCCCC4)S3)c1 95465684 IQJUAVFADKWOKF-ZDUSSCGKSA-N 385.522 2.925 0 40 GFAB CCC(=O)Nc1ccc(C)c(NC(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)c1 95408114 FTAITUWCQMUFSF-MRXNPFEDSA-N 390.528 2.900 0 40 GFAB C[C@@H]1CN(C(=O)C2CCN(C(=O)NCCC3=CCCCC3)CC2)C[C@@H](C)O1 42836909 SIQDJNSFKIAABB-IAGOWNOFSA-N 377.529 2.934 0 40 GFAB CC1CCN(C(=O)Cn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)CC1 408575675 WUNCSGQSMNPOGS-UHFFFAOYSA-N 381.476 2.705 0 40 GFAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]cn1 36435114 SPBRZDCZNVSBTI-GOSISDBHSA-N 397.479 2.686 0 40 GFAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 33714708 NTLGEBKONYGIQW-LWYYNNOASA-N 395.455 3.000 0 40 GFAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)n2)c1 72349693 GUBATYSKIWKTKR-IBGZPJMESA-N 395.503 2.795 0 40 GFAB COC[C@@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218124689 PKVFIFUSPJJAJM-FGTMMUONSA-N 381.881 2.632 0 40 GFAB CCCC(=O)NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 48287845 ZPCNOYJIISUVRZ-UHFFFAOYSA-N 378.416 2.865 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccc(S(C)(=O)=O)cc1 46923718 NHLVIQIUEOJGHF-UHFFFAOYSA-N 390.461 2.551 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2nc3cc(-c4ccccn4)nc(C)n3c2=O)c1 49407248 KPMVCOHKCJYNAW-UHFFFAOYSA-N 388.431 2.517 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2OC)ccc1Cl 223897381 GVQXMBAMWXBJQT-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB CCOc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 243549635 OJNJUMXTKGYSPW-UHFFFAOYSA-N 380.441 2.625 0 40 GFAB COc1ccc(-c2n[nH]cc2C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 253408847 LDGNSWUYSRTOMX-GOEBONIOSA-N 390.443 2.507 0 40 GFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1)c1ccno1 257325095 WRKXRDGFSZHYPZ-IPJJNNNSSA-N 383.492 2.742 0 40 GFAB O=C(N1CCO[C@@H](c2cnccn2)C1)C1(Cc2ccccc2F)CCOCC1 257256625 KMGKRBRFGRREEV-LJQANCHMSA-N 385.439 2.555 0 40 GFAB CC[C@@H](CNC(=O)N1CCC(=O)N(C)CC1)Oc1ccccc1C(F)(F)F 664362692 AYBXYACYWJOMIH-ZDUSSCGKSA-N 387.402 2.737 0 40 GFAB COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 57270816 RIKMEPKFIHWQCA-CQSZACIVSA-N 397.475 2.885 0 40 GFAB Cc1cc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)no1 1549163113 ZCSIEFXGSKLWHW-HXUWFJFHSA-N 396.491 2.654 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)Cc1c[nH]c3ccccc13)OCO2 5401854 QFUZEOCMJMDYRY-UHFFFAOYSA-N 394.383 2.824 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 5510796 QWXSIWCETSVVGR-OAHLLOKOSA-N 388.489 2.971 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)s1 12443544 GGQYHOQQFSBCPY-UHFFFAOYSA-N 390.490 2.617 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1 15434280 USLJTRKOTJIURW-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB COc1ncccc1-c1cc(=O)[nH]c([C@@H]2CCN(C(=O)c3ccccc3F)C2)n1 19594693 JBHADNKXXASQQB-CYBMUJFWSA-N 394.406 2.609 0 40 GFAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CS(N)(=O)=O)cc1 10707204 FFQRYHZCEMVMLS-LBPRGKRZSA-N 398.937 2.926 0 40 GFAB O=C(CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)N1CCCCC1 19346011 LCSGNXMJFBTUNE-UHFFFAOYSA-N 377.872 2.897 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccnc1O[C@@H]1CCOC1 253400882 MBZCGTVIRXGZHJ-LJQANCHMSA-N 381.476 2.644 0 40 GFAB CSc1nc(C(F)F)cc(N2CCN(Cc3nc(C(C)C)no3)CC2)n1 1888869650 FSRVYXQSMLRFHT-UHFFFAOYSA-N 384.456 2.965 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)ncc1F 1888890960 WAWMQBVLBCFIEL-HUUCEWRRSA-N 379.439 2.624 0 40 GFAB Cc1ncnc(OC[C@]23CCC[C@H]2CN(c2ccc4nnc(C)n4n2)C3)c1C 1888906489 RICTYMDCQNOPRB-OXJNMPFZSA-N 379.468 2.525 0 40 GFAB O=C(NCC(F)(F)F)C1=NO[C@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056226542 UIGNLTGGLJTOPP-MRXNPFEDSA-N 391.340 2.754 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@@H]4[C@@]2(O)[C@@H]1O)[C@H]1[C@@H](C[C@@H]3C)C1(C)C 2060999904 ONMDPPVVEFWDOD-YFNDTMRASA-N 388.504 2.614 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)C[S@](=O)C3)cc1 4224692 JIJGNVQOXFVTIN-MUUNZHRXSA-N 397.456 2.661 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)c1cccn(OCc2ccc(F)cc2)c1=O 4325968 QCDFRFJPJQLTDN-UHFFFAOYSA-N 396.374 2.640 0 40 GFAB COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)c1 4518763 DZNGXFMQXDGBLF-UHFFFAOYSA-N 389.415 2.500 0 40 GFAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1F 6591347 RNWQCJDVFBYWPJ-INIZCTEOSA-N 378.425 2.666 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23127510 RKKAZLNHQYZXIE-UHFFFAOYSA-N 387.505 2.724 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 38728769 WXFBXUQWINNVBR-NHCUHLMSSA-N 391.471 2.733 0 40 GFAB CCCNC(=O)Cn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2ccc(C)nc21 49002151 XBVSIYVMUCHVBF-UHFFFAOYSA-N 396.422 2.623 0 40 GFAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(Cc5csc(C)n5)C[C@@H]4C3)ncn2)n1 585614760 IOQSRUMSRDOYJP-IAGOWNOFSA-N 395.536 2.612 0 40 GFAB Cn1c(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)nc2ccccc21 2298092152 KDTVMSAARTZXTF-UHFFFAOYSA-N 376.464 2.643 0 40 GFAB CC1(C)CC(=O)C(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C(=O)C1 100687420 JSWGHDKLVHUHMF-UHFFFAOYSA-N 391.489 2.916 0 40 GFAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1ccc(Cl)cc1 51316866 OJPXLRZEOPVCGY-UHFFFAOYSA-N 385.836 2.912 0 40 GFAB Cc1nc2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)ccc2o1 32795883 KICSJOVKIWJJLP-QGZVFWFLSA-N 385.445 2.928 0 40 GFAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2nncs2)c2ccccc2N1 21443716 HZZKNJOSYYQXMZ-JTQLQIEISA-N 388.396 2.937 0 40 GFAB Cc1nc(COc2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)no1 21475746 YCDBFASYWBUSHC-LLVKDONJSA-N 394.387 2.929 0 40 GFAB CSCC[C@@H](C(=O)Nc1nc(C)c(C)s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32808706 LHFPNBBPTJRWSX-MJBXVCDLSA-N 395.550 2.995 0 40 GFAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 32879864 JRHJWEDXZAWMJE-UHFFFAOYSA-N 396.472 2.624 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3N3CCCN23)cc1 102682550 ZNHQAQNZJHWOBI-NJDAHSKKSA-N 391.471 2.848 0 40 GFAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(c2ccccc2)CC1 869820 LIAUZCMUYFSFAZ-UHFFFAOYSA-N 378.398 2.739 0 40 GFAB CCn1nc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccccc2c1=O 2656059 BBOYMLTUYIXCOR-UHFFFAOYSA-N 390.487 2.996 0 40 GFAB CCCCNC(=S)N(CCCO)Cc1cc2cc(CC)ccc2[nH]c1=O 4132599 VONPNVKMAKYSHU-UHFFFAOYSA-N 375.538 2.950 0 40 GFAB CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)c2ccccc2c1=O 4326071 VWJJNODWUAAEMH-LBPRGKRZSA-N 383.379 2.740 0 40 GFAB O[C@]12C[C@@H](C(Cl)(Cl)Cl)O[C@]1(O)C[C@@H](C(Cl)(Cl)Cl)O2 4416922 ILZPXCIRVHHHJM-OMMKOOBNSA-N 380.866 2.682 0 40 GFAB CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2cc(C)on2)CC1 4580354 COQALBCHIFJTBO-UHFFFAOYSA-N 385.464 2.909 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(N(CC)CC)cc2)o1 22004076 RZTCTNGGXZFIBC-LBPRGKRZSA-N 391.497 2.909 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O 6679033 UIGKPZODUYONLM-UHFFFAOYSA-N 377.853 2.845 0 40 GFAB CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1 7881259 SOGTXWNVFDVMJG-UHFFFAOYSA-N 376.906 2.666 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)c1ccccc1SC[C@@H]1CCCO1 47122188 SOKBCYXIOFNEFH-INIZCTEOSA-N 395.488 2.863 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1F 51319309 UKPLDNMHNUDFRM-UHFFFAOYSA-N 391.403 2.677 0 40 GFAB C[C@@H](NC(=O)COC(=O)CCC(=O)c1ccccc1)c1ccc2c(c1)OCO2 23567171 KJSYEBTWTIIELM-CQSZACIVSA-N 383.400 2.799 0 40 GFAB Cc1nc(C2(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)CCCCC2)no1 54531364 MSENNDDYDMWLKH-UHFFFAOYSA-N 393.447 2.572 0 40 GFAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC[C@H]2CCCO2)cc1 42249283 MEHLXPPTKQVUMW-MRXNPFEDSA-N 379.409 2.502 0 40 GFAB O=S1(=O)C=C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 1280987 VIQUOVWGDSKBFI-OAHLLOKOSA-N 383.878 2.846 0 40 GFAB O=C(O[C@@H]1CCCCC1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3263728 XBINXVXVLKRVNM-LJQANCHMSA-N 387.457 2.834 0 40 GFAB O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@H](c1ccc(F)cc1)N1CCOCC1 25638958 ODOKWKZEBVVQBW-KUPRMMGYSA-N 396.462 2.964 0 40 GFAB C[C@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N1CCCCC1 57163419 GNQHHPABBMQMSW-QGZVFWFLSA-N 376.520 2.964 0 40 GFAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@@H](O)CN1CCCCC1 48285671 QELPCAXCKXLHPS-GOSISDBHSA-N 394.922 2.969 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 58197703 IYAMDWNPORHECZ-SJORKVTESA-N 379.298 2.927 0 40 GFAB CCOc1ccc(C[C@H](CNC(=O)Nc2ccc(F)cc2F)C(N)=O)cc1 58166051 UGYAHHODHHDULF-CYBMUJFWSA-N 377.391 2.829 0 40 GFAB CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)C[C@@H](C)C2 10157645 ZVEKIUZPHVOTAT-AWEZNQCLSA-N 381.480 2.619 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 27234601 SNNQBPCMVBCBIR-CQSZACIVSA-N 383.423 2.956 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 20245704 QBNSYDQOTNGAEK-UHFFFAOYSA-N 385.848 2.974 0 40 GFAB O=C(NCc1ccco1)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 58367065 SXBYPTLIUVAMAZ-UHFFFAOYSA-N 390.823 2.830 0 40 GFAB Cc1sc2nc(COC(=O)CCn3c(C)csc3=O)nc(N)c2c1C 10536157 WDUXSXFTYWUTHC-UHFFFAOYSA-N 378.479 2.555 0 40 GFAB COc1cc(CC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC 3317338 ZJQBYVXXDGLUSM-AWEZNQCLSA-N 399.443 2.776 0 40 GFAB Cc1csc(=O)n1CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 27573833 HQMLSBCOOJRPFP-HNNXBMFYSA-N 379.551 2.869 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20489393 XNHAQSQFLUTHCN-UHFFFAOYSA-N 382.869 2.992 0 40 GFAB O=C(NCCn1c(=O)[nH]c2ccccc21)c1cc(F)cc(Br)c1 62260588 PUFPSWXNKRSTBQ-UHFFFAOYSA-N 378.201 2.661 0 40 GFAB COC(=O)COc1cccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 48326446 YQWYCJXIRFOUNJ-UHFFFAOYSA-N 379.434 2.665 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)CSCc2ccc(Cl)s2)CC1 13005056 SEAJFYLMRAAZLG-UHFFFAOYSA-N 396.987 2.565 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 69633267 VQWMFCHHJWHGSN-SFHVURJKSA-N 394.435 2.542 0 40 GFAB CCCCC[C@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 49574788 RZYDMQDCRCMWJW-KBXCAEBGSA-N 384.480 2.716 0 40 GFAB COc1cc2c(cc1OC)CN(Cn1nc(-c3ccc(F)cc3)oc1=O)CC2 8704376 STXINZRRJXVONC-UHFFFAOYSA-N 385.395 2.675 0 40 GFAB CCN(CC)C(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 5009873 PXQYPTMDQRHUJK-LBPRGKRZSA-N 376.526 2.872 0 40 GFAB O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCOCC1 20108918 OBDIDRJZJOZAHD-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB CSCC[C@@H](NC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2[nH]1 14086168 LGNFXYQTJCIBRY-CQSZACIVSA-N 399.501 2.857 0 40 GFAB COc1ccccc1C(=O)C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21 5450952 XKSWOCJLRVQGFQ-QHCPKHFHSA-N 394.471 2.946 0 40 GFAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCCCn1ccnc1 6660188 KWKBLMLDJLRSAO-HNNXBMFYSA-N 395.459 2.842 0 40 GFAB CC[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)NC(N)=O)n3C)cc2C1 5776350 CPFQKYRAJROQHS-UWVGGRQHSA-N 393.538 2.734 0 40 GFAB NC(=O)CC1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 66616991 CBBCQTUUVLYDTO-UHFFFAOYSA-N 386.521 2.627 0 40 GFAB COCCCn1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 6814486 BKPYBNXPPXNEFY-UHFFFAOYSA-N 382.464 2.748 0 40 GFAB COc1ccccc1CN/C(C)=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 5800587 LLBMXFLEKSNLNJ-XDJHFCHBSA-N 393.443 2.959 0 40 GFAB Cc1cc(C)n(Cc2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)cc2)n1 6922182 NFTPESYCODVBNX-GOSISDBHSA-N 398.360 2.969 0 40 GFAB COC(=O)c1cc(Br)ccc1NC(=O)CCNC(=O)c1ccco1 5938084 KQRRWYYPPUCTHN-UHFFFAOYSA-N 395.209 2.587 0 40 GFAB C[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 5991441 SUNZRFOHOPIQIF-NSHDSACASA-N 387.263 2.667 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCCCCC2)cc1 7140919 RNMLXFXAHUGXKX-UHFFFAOYSA-N 392.459 2.709 0 40 GFAB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/C1=Cc2ccccc2OC1 15517379 GSSDBCMAACXTMM-JJIBRWJFSA-N 390.487 2.777 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c1 9053531 BZRLOKSBWLODJC-UHFFFAOYSA-N 388.855 2.807 0 40 GFAB Cc1sc2nc(N3CCN(C(=O)c4ccco4)CC3)n3ncnc3c2c1C 9135072 GXNQPXDSOAWIBL-UHFFFAOYSA-N 382.449 2.511 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)N2CCCC2)nn1-c1ccccc1 8076482 MOUDWUWHAZFHDC-GOSISDBHSA-N 392.459 2.701 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 408997757 HQWMJRADISWJTF-AEFFLSMTSA-N 384.432 2.714 0 40 GFAB C[C@@H]1CN2c3cc(Cl)ccc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2[C@@H](C)O1 16957436 MXUWHMHCDMMPKV-HFAKWTLXSA-N 379.840 2.701 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 8392824 NIOXUGJTXAIARN-UHFFFAOYSA-N 392.820 2.999 0 40 GFAB CCCCN(C(=O)c1ccc(Cl)s1)c1c(N)n(CCC)c(=O)[nH]c1=O 9450705 FWLFCLRDWDKYFI-UHFFFAOYSA-N 384.889 2.691 0 40 GFAB Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(CC1CC1)C2 71890448 AIPBNSZLUZQPCZ-UHFFFAOYSA-N 379.508 2.970 0 40 GFAB COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)c2cc3c(s2)CCC3)nn1 83897555 PCSXVJRCSLJVEJ-ZIAGYGMSSA-N 375.450 2.956 0 40 GFAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 9647448 HWJMEGVEDJFNLQ-QFIPXVFZSA-N 398.426 2.783 0 40 GFAB COc1cccc(CN(C)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1OC 9689675 AOXWFZKCVNONJD-UHFFFAOYSA-N 397.475 2.667 0 40 GFAB Cc1ccc(C[C@H](C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)s1 97592809 MAXUZPMEEFRPJK-LBPRGKRZSA-N 378.519 2.740 0 40 GFAB CN(C)CCN1CCC[C@@]2(CN(CC3CCCC3)C[C@H]2c2cccnc2)C1=O 306126556 DYXZHMBAGQZHLE-GMAHTHKFSA-N 384.568 2.841 0 40 GFAB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc2c(c1)OCO2 20152462 VSCOBMDWSUCGSY-UHFFFAOYSA-N 378.793 2.894 0 40 GFAB CC(C)n1nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c2ccccc2c1=O 95969912 NBNFUMURPXYVHK-SFHVURJKSA-N 391.427 2.629 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)n(C)n1 95998578 HCOLBCJYKMDWOF-IBGZPJMESA-N 397.454 2.884 0 40 GFAB Cc1cc(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n2ncnc2n1 95999562 UJBWUUGAACACIP-OAHLLOKOSA-N 394.483 2.669 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 95998755 JZPUFDJNLTVQHV-AWEZNQCLSA-N 390.871 2.976 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)c(F)c1 9979389 IIYJFECFQASVQW-KRWDZBQOSA-N 395.434 2.803 0 40 GFAB Cn1cnnc1-c1ccnc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 89761964 IEGFXKDJWPFWKF-UHFFFAOYSA-N 393.382 2.638 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)CCc1nc(-c3ccncc3)no1)CC2 524732712 WKNWXHMBBBUMNH-MRXNPFEDSA-N 394.431 2.885 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(=O)[nH]c1=O 32843211 ZRYCOPGMQBAICV-LSDHHAIUSA-N 390.528 2.900 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 36812072 CIGWHDYDNOJOLP-SNVBAGLBSA-N 382.511 2.592 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2sc3nc[nH]c(=O)c3c2C)c1 72402237 WBJXRLWKUURDOP-UHFFFAOYSA-N 382.445 2.686 0 40 GFAB COc1nc(C)c(CC(=O)N2CCN([C@H](C)c3ccc(C)cc3)CC2)c(OC)n1 36741146 LQBKIXRPOBKPLS-QGZVFWFLSA-N 398.507 2.559 0 40 GFAB COc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1OC 32808944 RNHFRSRRHHWFLQ-JWAFFJSPSA-N 389.473 2.998 0 40 GFAB COC[C@@]1(CNC(=O)c2ccncc2N2CCCC2)OCCc2ccccc21 568578714 CNIRBHDUECBDGF-JOCHJYFZSA-N 381.476 2.526 0 40 GFAB CCCSc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)s1 223945261 PKOHEZNKIUIDIU-UHFFFAOYSA-N 386.524 2.688 0 40 GFAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)[C@@H]1CCNCC1(F)F 573953708 KPRIMYZSDWPDPP-JTQLQIEISA-N 376.194 2.757 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c(c3)NC(=O)CC4)c2c1 96231486 HJQRIVQJZFAONA-UHFFFAOYSA-N 393.443 2.799 0 40 GFAB CCc1cccc(NC(=O)N2CCn3nnc(COc4cccnc4)c3C2)c1 96256026 QTNZJKICKDBKBJ-UHFFFAOYSA-N 378.436 2.862 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 257283813 OZYHWVUZBJZJTB-OAHLLOKOSA-N 378.411 2.708 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)n1 257228718 FUYNJVIYVRDIAI-SFHVURJKSA-N 392.459 2.537 0 40 GFAB Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)s1 275275083 KHLVBXXGKBVSOF-SECBINFHSA-N 382.301 2.694 0 40 GFAB O=C(NCc1ccccc1CC(F)(F)F)N1CCC(N2CCCNC2=O)CC1 624991948 INVVBZHNJOADIK-UHFFFAOYSA-N 398.429 2.881 0 40 GFAB Cc1ccnc(CNC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 637173837 MNGNHPAKFOBQEP-UHFFFAOYSA-N 399.495 2.831 0 40 GFAB CN1CCO[C@H]([C@@H](NC(=O)NC[C@H]2CCOC2(C)C)c2ccc(Cl)cc2)C1 664561963 PFPORUFYZXTKNH-NJAFHUGGSA-N 395.931 2.826 0 40 GFAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 5184421 WBPIXLZSSHZKSZ-UHFFFAOYSA-N 393.399 2.701 0 40 GFAB COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694797 FZECIAXZDKRWLL-ZNOIYHFQSA-N 393.447 2.954 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2Br)no1 12028858 WOMLAEBODNQXOX-ZDUSSCGKSA-N 378.226 2.989 0 40 GFAB CN(C)[C@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 12203749 BBJZACQAJAKYRJ-DNVCBOLYSA-N 388.851 2.791 0 40 GFAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccccc1)S(C)(=O)=O 13711097 WNZGTURWZXVFQZ-KRWDZBQOSA-N 392.477 2.887 0 40 GFAB CCn1nnc2cc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)ccc21 14595015 DDQMXCQOXYABPS-UHFFFAOYSA-N 384.392 2.507 0 40 GFAB Cc1ccc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C 15718135 SJZRIXIKMZISRP-UHFFFAOYSA-N 388.489 2.522 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](C)C1)CC1(CCN(C)CC1)O2 19218504 QLHMGBZXZRZHAA-GOSISDBHSA-N 399.535 2.553 0 40 GFAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@@H]2CCOC2)C1)c1ccccn1 19400501 KURHUPKLZRHODK-UEXGIBASSA-N 380.492 2.696 0 40 GFAB Cc1cc(C)n(CCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(=O)n1 19572499 UTDKRFQFRKVIAS-OAQYLSRUSA-N 399.491 2.925 0 40 GFAB CN(C)Cc1cc([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)nn1C 19709044 KKTYGVXDZLNOSU-KRWDZBQOSA-N 394.523 2.628 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](c2nc3ccccc3n2C)C1 19715543 IQHQSMBMVKZEJT-MRXNPFEDSA-N 380.496 2.742 0 40 GFAB Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1C[C@H]3CCCCN3C1=O)C2 661298288 AXAWJMGAWMYBQX-UKRRQHHQSA-N 392.297 2.936 0 40 GFAB O=C(N1CCc2nnc(C3CCNCC3)n2CC1)C1(c2ccccc2)CCCC1 19708903 OWXKEEBQMLBADW-UHFFFAOYSA-N 393.535 2.642 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CC[C@H](n2cc(C3CC3)nn2)C1 253473635 WVNMZLLPSQFEEY-LBPRGKRZSA-N 397.298 2.554 0 40 GFAB O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(Br)o1 371247125 KHVOBKWNCZCBNP-SSDOTTSWSA-N 393.163 2.688 0 40 GFAB Cc1ccc(OC[C@@H]2CCN(S(=O)(=O)Cc3ccccc3Cl)C2)nn1 1888888247 VROJHFNVDGHBPS-CQSZACIVSA-N 381.885 2.669 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCc2ccccc2F)N2CCOCC2)cc1 23718897 HYTKDHBLWSXANH-OAQYLSRUSA-N 386.467 2.957 0 40 GFAB Cc1csc(C(=O)N2CCC[C@@]3(CCCN(CC(=O)N4CCCC4)C3)C2)c1 2056224135 DTQIPGCFIYYEDA-OAQYLSRUSA-N 389.565 2.997 0 40 GFAB CC(C)CCNC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S)nc2c1 2970816 VWFLOGYEFUBSPP-CQSZACIVSA-N 375.494 2.640 0 40 GFAB COc1cccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)c1 4032795 VREDOXXHJZZYEU-UHFFFAOYSA-N 382.416 2.526 0 40 GFAB O=C1O[C@H](CNS(=O)(=O)c2ccccc2F)CN1c1cccc(Cl)c1 8838406 RAPQPBMFUKYCFQ-CYBMUJFWSA-N 384.816 2.783 0 40 GFAB O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCc1ccccc1 23145374 MKUHJTLJGPCFQP-UHFFFAOYSA-N 396.516 2.837 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1 206751163 LRDYRJCOPVGVBP-UHFFFAOYSA-N 384.461 2.991 0 40 GFAB O=C([C@H]1C[C@@H](NC2CCCCC2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCCC1 2332241872 YEFIOKJYGPTDSG-ONCXSQPRSA-N 386.540 2.665 0 40 GFAB CSc1nccn1-c1cccc(C(=O)NCCNC(=O)c2ccccc2)c1 40135774 FKRPCMCZUSKYMJ-UHFFFAOYSA-N 380.473 2.754 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)CCn2cnc3ccccc3c2=O)c1 30894292 NWBFGHZPCTUJJX-UHFFFAOYSA-N 379.460 2.941 0 40 GFAB C[C@@H](C(=O)Nc1ccc(NC(=O)COc2ccc(F)cc2)cc1)n1cncn1 31139444 FLPYFOBMUAEBQS-ZDUSSCGKSA-N 383.383 2.634 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 20720112 CQGJYSSQLULRPA-UHFFFAOYSA-N 391.471 2.714 0 40 GFAB COc1cccc([C@@H](NC(=O)C(=O)Nc2ccc(C)cc2F)c2nccn2C)c1 41195445 RBXOUGYZDOSUOA-GOSISDBHSA-N 396.422 2.721 0 40 GFAB COc1ccc(-c2nc(CN3C(=O)N[C@H](C(C)C)C3=O)cs2)cc1OC 32889036 AOEUZZQMTXNDOL-OAHLLOKOSA-N 375.450 2.904 0 40 GFAB O=C(c1ccc(F)cc1F)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 21710365 RSWRKVANEBAZCB-UHFFFAOYSA-N 398.406 2.641 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(C)n1C[C@@H]1CCCO1 2657793 MNRGNVHIDNPVRC-KKSFZXQISA-N 399.443 2.850 0 40 GFAB COc1ccc(CC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 32909880 QPIVBFKEZRHEGP-UHFFFAOYSA-N 380.366 2.803 0 40 GFAB Cc1cc(=O)oc2c(C)c(OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc12 32983120 RBZZOHFBENEBLI-UHFFFAOYSA-N 398.415 2.570 0 40 GFAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@@]4(C)CCCO4)CC3)n2)cc1 79069373 NGVUQOOYEXFFPL-IIBYNOLFSA-N 384.480 2.819 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)[C@H](C)N1Cc2ccccc2C1=O 79487095 MBUQAUQKPQYGFT-HNNXBMFYSA-N 377.444 2.811 0 40 GFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 101670080 BTKKATXWCSPENV-QRQLOZEOSA-N 376.522 2.533 0 40 GFAB CC(=O)Nc1cccc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c1 7371126 GMSNWFNOQCZFCU-UHFFFAOYSA-N 378.392 2.513 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 7940684 LRJPKRWBSFWIFG-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CCN(c1ccc(OCC(=O)Nc2cc(C)ccc2OC)cc1)S(C)(=O)=O 10010017 GGEOYOSXRYJFBZ-UHFFFAOYSA-N 392.477 2.807 0 40 GFAB CS(=O)(=O)Cc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 104029303 SNPZLXDJEFQUSV-JZFKGDSASA-N 377.506 2.891 0 40 GFAB CSc1ncc(Cl)c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1 22991793 DOINLPWWWNHHBP-UHFFFAOYSA-N 390.896 2.887 0 40 GFAB COc1cc(C(=O)NCC(=O)Nc2cccc3cccnc23)cc(OC)c1OC 10913962 SXPNTQLMTYEWFQ-UHFFFAOYSA-N 395.415 2.629 0 40 GFAB CCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1ncc(Cl)c(Cl)c1=O 8524531 OHNJUNZTEQHLLU-UHFFFAOYSA-N 388.226 2.747 0 40 GFAB COc1ccc([C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)c2nccn2C)cc1 24026323 NMRJCRNZOWVCKK-SFHVURJKSA-N 390.447 2.538 0 40 GFAB FC(F)(F)Oc1ccc(Cc2nnc3sc(Cn4cccn4)nn23)cc1 61718026 HHUWIVHVOSMPJT-UHFFFAOYSA-N 380.355 2.920 0 40 GFAB Cc1nc(-c2ncccn2)sc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 55098055 KTUDESKPXGFXPH-BETUJISGSA-N 389.525 2.526 0 40 GFAB Cc1nc(-c2ncccn2)sc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 55098057 KTUDESKPXGFXPH-STQMWFEESA-N 389.525 2.526 0 40 GFAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1N1CCOCC1 9388834 NNJUSVWTPMMJRD-JKSUJKDBSA-N 395.573 2.558 0 40 GFAB C[C@@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]2C[C@H]1C2(C)C 102806198 QNHJMTKJDFGIIU-NHIYQJMISA-N 397.493 2.528 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)N(C)Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 57594004 ARDPHSUUCLBTEB-CYBMUJFWSA-N 387.386 2.781 0 40 GFAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCCSc1ccc(Cl)cc1 8504285 WAJMRGNFCXIVMV-UHFFFAOYSA-N 384.914 2.560 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492490 QCKRCQHLZSWBAF-AWEZNQCLSA-N 385.489 2.745 0 40 GFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O 1910798 ZWHZZWJYHDBQQD-SFHVURJKSA-N 398.390 2.628 0 40 GFAB O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccco1)C2)NCc1ccc(F)cc1 100433714 CESDEEBXCSJADE-RTBURBONSA-N 399.466 2.850 0 40 GFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2C1 59418399 FEEPVKQSSXGTDA-BOPFTXTBSA-N 384.501 2.506 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)n2ncc(-c3ccc(OC)cc3)nc2=O)cc1 44804258 QBQLWFASYSXJCV-CYBMUJFWSA-N 380.404 2.522 0 40 GFAB CCS(=O)(=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 58391517 LEJLTOKVLHICRH-UHFFFAOYSA-N 386.517 2.658 0 40 GFAB CCC(CC)[C@H](CNC(=O)Nc1ccc(-n2cccn2)nc1)N1CCOCC1 48262785 UGQDUJFFCJYXEE-SFHVURJKSA-N 386.500 2.526 0 40 GFAB C[C@@H](C(=O)N1CCCC1)S(=O)(=O)c1nc2c(n1-c1ccccc1)CCCC2 48230307 FXEDMWAPGHDMDA-HNNXBMFYSA-N 387.505 2.536 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1OC 3317105 HTNOVPDUTONKCT-CYBMUJFWSA-N 385.416 2.847 0 40 GFAB O=C1N[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 110549518 FVUGRJYVDVXNIE-WOSRLPQWSA-N 399.756 2.839 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCCC2)c1 22229608 BNZRLHGMSYLZRD-SFHVURJKSA-N 394.537 2.996 0 40 GFAB CCCOc1ccc(OCC(=O)NCc2ccc(OC)c(C(=O)OC)c2)cc1 12790250 QYZUEVUVLLQSBI-UHFFFAOYSA-N 387.432 2.966 0 40 GFAB COc1cccc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c1 12770862 WLQMUTWSIARIGG-UHFFFAOYSA-N 381.476 2.662 0 40 GFAB Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)CSc3nncn3C)cc2)o1 12767888 PJMQYBDIRGSONE-UHFFFAOYSA-N 399.476 2.720 0 40 GFAB CCCCc1ccc(NC(=O)CN2CCC(C(=O)N3CCOCC3)CC2)cc1 12762853 TYQRBJIYJKCOMX-UHFFFAOYSA-N 387.524 2.539 0 40 GFAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 12812979 RGECDVGRSTUTDO-LBPRGKRZSA-N 386.477 2.958 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3459648 UUNRYPUVFDHGCL-IBGZPJMESA-N 389.358 2.694 0 40 GFAB COc1ccccc1/C=C/C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 3422176 AFUIJLVIIIOJRC-QSYFUGGGSA-N 383.400 2.685 0 40 GFAB CCC[C@H](C)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3572862 OHGWALCVYVTIFA-INIZCTEOSA-N 379.460 2.787 0 40 GFAB CC(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 3536608 SMLAEJDAAPOBLU-CYBMUJFWSA-N 383.448 2.751 0 40 GFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 12902627 PFBRADLIEALQLV-PGRDOPGGSA-N 398.434 2.521 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1ccccc1C 18094637 WBLLNZRWRSRIIU-UHFFFAOYSA-N 384.432 2.632 0 40 GFAB CC1=C(C)C[C@@H]2C(=O)N(NC(=O)COc3ccc(Cl)cc3C)C(=O)[C@H]2C1 18152632 OHDLKMZGQHHEHM-GJZGRUSLSA-N 376.840 2.790 0 40 GFAB COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)c1 18191268 YRBVCRPOHGFYSV-UHFFFAOYSA-N 376.434 2.848 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nc3ccccc3s2)CC1 4088576 XJSCWBGIXCFKKU-QGZVFWFLSA-N 381.457 2.785 0 40 GFAB COCCCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 4085107 AKAKSQGDIARQSE-FPOVZHCZSA-N 389.455 2.791 0 40 GFAB biogenic CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NC12CC3CC(CC(C3)C1)C2 8709093 SCLOYXQMOQDEJL-VFFMXWPCSA-N 393.487 2.680 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1 5586057 VBPCWMCCJAMLNH-UHFFFAOYSA-N 382.821 2.967 0 40 GFAB CCOc1cc(OC)ccc1C(=O)CN1C(=O)c2ccccc2O[C@H](C)C1=O 6755218 ZJDGFWFABXVVNY-CYBMUJFWSA-N 383.400 2.727 0 40 GFAB CC(C)(C)c1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5873861 KAAJTFWZWMPDKO-UHFFFAOYSA-N 386.448 2.575 0 40 GFAB COc1ccc([C@H](C)NC(=O)COC(=O)c2cncc(Br)c2)cc1 67208196 KRDHLFWCQPRREZ-NSHDSACASA-N 393.237 2.887 0 40 GFAB CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(OC)cc(OC)c1 68239985 XFAUCXDPIWLJFM-QGZVFWFLSA-N 392.496 2.584 0 40 GFAB COc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1 9237914 BCUSSUXGADLAQI-IAGOWNOFSA-N 381.461 2.993 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1 7966791 BWYBLAUJILSFGB-PKNBQFBNSA-N 390.461 2.606 0 40 GFAB O=C1CN(C(=O)CSc2nncc(-c3ccccc3)n2)c2ccccc2N1 16493298 RATFNVMFZTYRIB-UHFFFAOYSA-N 377.429 2.616 0 40 GFAB O=C(NCc1ccccc1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 9668702 WBHWYBPZICVMDL-JUSBFGHESA-N 390.439 2.753 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 95481490 QQEGIWFIPAGCEK-DLBZAZTESA-N 397.822 2.580 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 97014028 REWMDLXCKMBJOM-SWLSCSKDSA-N 376.482 2.538 0 40 GFAB O=C(C[C@@H]1COCCN1CC(=O)N(C1CCCC1)C1CC1)c1cccs1 95945690 SIDNIEGVPHHNSC-QGZVFWFLSA-N 376.522 2.955 0 40 GFAB C[C@@H]1CN(C(=O)C2CCC(C(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)CC(C)(C)O1 95955658 TTWOMYXMSWXJOH-MRLCAUJQSA-N 394.556 2.845 0 40 GFAB O=C(Nc1ncccc1O)[C@H]1CCN(c2cccc(Br)c2)C1=O 95938996 GETCXKADAVEEDF-GFCCVEGCSA-N 376.210 2.541 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)CC2)n1 85877135 NFDKTFHFPOGECM-VQTJNVASSA-N 385.556 2.691 0 40 GFAB biogenic CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)(C)C2 20478162 MZVRLZSUICFTKF-UHFFFAOYSA-N 379.508 2.996 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(C)cc1 35877001 QXXLHODIWNSIJU-VOQZNFBZSA-N 393.531 2.857 0 40 GFAB C[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cccc2ccccc12 36389688 RINJUSYYZCNHPC-KRWDZBQOSA-N 375.476 2.629 0 40 GFAB COc1cccc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1OC 72395031 LUCAMIBXILMJGP-GCJKJVERSA-N 380.444 2.521 0 40 GFAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980214 OXQPHGLINMCAFV-AWEZNQCLSA-N 387.263 2.731 0 40 GFAB CC(C)N1CCc2nc(C3CCN(C(=O)C4[C@H]5CCCC[C@@H]45)CC3)[nH]c(=O)c2C1 72398712 CEZGFZZIOVKERE-XEWABKELSA-N 398.551 2.679 0 40 GFAB CCCCOCc1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1OC 224441624 AHYLGPQRUVZTGK-UHFFFAOYSA-N 378.469 2.926 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)cc1C 223696072 LUUBKWBTHUFJKP-UHFFFAOYSA-N 381.450 2.508 0 40 GFAB C[C@@H](C(=O)N1CCCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220311819 ACZQPAPOICEXFF-AWEZNQCLSA-N 376.453 2.960 0 40 GFAB COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c(OC)c1 222469054 JMHCIMCQLUDNEO-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CCCN(C2CCC2)CC1 179586698 BTHWEHFRFMPMCB-UHFFFAOYSA-N 379.345 2.760 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)o1 96051664 XSEZAYWGRJLYQW-SFHVURJKSA-N 388.489 2.951 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242649307 SAMHDTTZRKOMFC-NUJGCVRESA-N 379.865 2.540 0 40 GFAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc3c[nH]nc3c2)CC1 585094295 DTZTURZNIMZMGJ-LJQANCHMSA-N 383.883 2.561 0 40 GFAB Cc1cc(C)n(CC(=O)N2[C@@H](c3ccccc3)C[C@@]3(C)[C@@H](O)[C@H](O)CCC[C@@H]23)n1 257294616 QUXYOPHOMDZKJL-VOUHSTLWSA-N 397.519 2.754 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@H](Cc3cncc(-c4cnc(C)n4C)n3)C2)n1 257264077 LSUSKZLRZBOCCU-QGZVFWFLSA-N 390.491 2.984 0 40 GFAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1cc3ccccc3oc1=O)CS2 90609746 LNNNUHNXTJHZQY-CYBMUJFWSA-N 397.456 2.581 0 40 GFAB Cc1ccc(-c2nc(C(=O)N(C)Cc3nnc4n3CCOCC4)cs2)cc1 1615548354 NUGQADCFHQBRBJ-UHFFFAOYSA-N 383.477 2.555 0 40 GFAB COc1ccc(CNC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1 96099421 UMETXAVEQSYFBJ-UHFFFAOYSA-N 388.489 2.843 0 40 GFAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN2C(=O)/C=C/c2cnc[nH]2)s1 585292165 XLZDDRDUGHWKAK-NNTXTVRGSA-N 381.465 3.085 0 40 GFAB Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Br)C2)cn1 681290584 QYTYQFXJIHCDSS-GFCCVEGCSA-N 384.299 2.751 0 40 GFAB CCN1CCN(c2ccc(-c3noc(-c4cnn(CC5CC5)c4)n3)cn2)CC1 632058472 JSZHNTGSTQUYPD-UHFFFAOYSA-N 379.468 2.547 0 40 GFAB CCCn1cc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)n1 1615158514 MPQJJTVJPBAUAA-UHFFFAOYSA-N 396.491 2.640 0 40 GFAB CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595045 RTAOHMQNBHSLFA-LMFCIFFHSA-N 396.478 2.535 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 12088642 JDDOYNALYDWLRT-QGZVFWFLSA-N 399.458 2.910 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 12621941 MIXMNPLORLYKBN-CYBMUJFWSA-N 387.823 2.578 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13668428 SSOHGIRWUAPAGI-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCN3C)ncc2C1 19079337 PCLAPBBDRZLSPW-MAUKXSAKSA-N 396.491 2.604 0 40 GFAB C[C@@H]1Cc2cc(C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)ccc2O1 19497999 JUAASXXFACKPAE-CQSZACIVSA-N 389.459 2.858 0 40 GFAB CCn1cc(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c(C)n1 19719829 MVNHBXSGMNVMFE-INIZCTEOSA-N 380.496 2.981 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3ccccc3C2)c1C 3365488 VCLTYOUWMXGVBY-UHFFFAOYSA-N 384.432 2.550 0 40 GFAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)Nc1cccc(F)c1 2037915910 AMSPWUYBDHJNME-FQEVSTJZSA-N 376.403 2.809 0 40 GFAB Cc1ccccc1C(=O)N1CCC[C@]2(CCN(CC3CCN(C)CC3)C2=O)C1 1615101257 HPTCGNKPAFQSQL-QHCPKHFHSA-N 383.536 2.792 0 40 GFAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1 2952008 GPZKTXXBLLFCIA-UHFFFAOYSA-N 379.460 2.609 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)C(C)C)s2)c1 4328174 HWUQABKZYUXZKZ-UHFFFAOYSA-N 396.494 2.881 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4c(F)cccc4F)cnc32)cc1 10251465 ZNWAQTKZJNHSQK-UHFFFAOYSA-N 381.342 2.553 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(C)c(F)c3)c2C)n1 16849695 ZAQGRIGLUMONOB-UHFFFAOYSA-N 383.427 2.900 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CCCCC1 22907301 ZJNFHNJSOVGDBZ-FQEVSTJZSA-N 395.503 2.944 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1 4852267 AZBGKLPIEFQJOM-UHFFFAOYSA-N 385.811 2.601 0 40 GFAB CCn1cc(Cl)c(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)n1 225737910 RADJVJHDZCBBAZ-UHFFFAOYSA-N 388.903 2.624 0 40 GFAB Cc1[nH]c2ccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2c1C 10424865 ZTEDORAUBJFMPT-UHFFFAOYSA-N 382.464 2.769 0 40 GFAB C[C@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCCCC1 40156945 CMYBFRORSJTBOS-MRXNPFEDSA-N 393.553 2.512 0 40 GFAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@H]1C=CS(=O)(=O)C1)CO3 20622477 QBIGGYANQLBTTN-NSHDSACASA-N 381.837 2.526 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c(OC)c1 101342505 WLYMOGHIHHZROX-IEBWSBKVSA-N 380.400 2.613 0 40 GFAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(Cc2ccccc2C)CC1 60439999 MDAVDGGMVVUDTB-HSZRJFAPSA-N 391.515 2.613 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C(F)(F)F)c1 102898033 OOUAAMBIIJSCJA-ZMPPFODHSA-N 392.377 2.690 0 40 GFAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(Br)o1 683306 QNCISGIHSJVIRJ-QMMMGPOBSA-N 394.019 2.606 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccccc2C)NC(=O)N3)cc1 12346106 NQKQMTSYBMZQGM-FQEVSTJZSA-N 377.444 2.697 0 40 GFAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC(=O)c4cccn4C)cc3c2C1 8852837 UOPAMUFIDIAFHY-ZDUSSCGKSA-N 393.443 2.745 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C)c1 41985780 LMNCCHORRFZXCL-UHFFFAOYSA-N 377.383 2.856 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 794303 DTHJVJPTOVTFCO-INIZCTEOSA-N 396.443 2.792 0 40 GFAB COc1ccc(N2C(=O)C(Cl)=C(N(CCO)Cc3ccccc3)C2=O)cc1 812664 KVFBKWRDQRLYDW-UHFFFAOYSA-N 386.835 2.513 0 40 GFAB Cc1ccc(-n2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nn2)cc1 23127083 DEINZINDWAOSNB-UHFFFAOYSA-N 375.476 2.970 0 40 GFAB O=C(CCNC(=O)NCc1ccccc1)NCCCc1nc2ccccc2[nH]1 8752077 HKTSOAGCYWLIPF-UHFFFAOYSA-N 379.464 2.501 0 40 GFAB COc1ccc2cc(CN(C)C(=O)COC(=O)c3cccnc3N)ccc2c1 23989864 KXDQFXYBOXIYIF-UHFFFAOYSA-N 379.416 2.641 0 40 GFAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)/N=c1/sccn1C 105763866 SBGXCZHTQYIXMF-STAMRPSLSA-N 375.538 2.871 0 40 GFAB CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 12508112 SIJQSABMQKIHEY-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB CC[C@H](NC(=O)CSC(F)(F)F)c1ccccc1OCC(=O)N(C)C 55598601 AOGTWPUBXZEIRR-LBPRGKRZSA-N 378.416 2.974 0 40 GFAB C[C@@H]1C[C@H](OC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C(=O)O1 34892226 PKNXKRFILRCMEG-INNHCVQGSA-N 389.351 2.756 0 40 GFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)OCCOc2ccc(F)cc2)c1 22613734 PRAFYUBZRLIEAW-UHFFFAOYSA-N 381.425 2.668 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)NCCc1ccccn1)c1cccs1 12550762 OBKXNFANWNVVAV-GOSISDBHSA-N 379.485 2.843 0 40 GFAB OC1CCC(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 25515786 ZTHWYJQCLHGBAP-UHFFFAOYSA-N 388.537 2.728 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 12530563 QOUONMMYEVXBHJ-YIONKMFJSA-N 389.448 2.930 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 54362891 JMSIYFRJJJBRGZ-UHFFFAOYSA-N 376.434 2.668 0 40 GFAB CC(C)Oc1nnc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)s1 58045897 LBZQPHZLSDVPNQ-NSHDSACASA-N 395.506 2.615 0 40 GFAB COc1cc(CCC(=O)NC2CCN(C(=O)CC(C)C)CC2)cc(OC)c1 58173583 SSFSMMOMQDQXNF-UHFFFAOYSA-N 376.497 2.790 0 40 GFAB O=C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@H]2c3ccccc3CCN12 36071075 JOMNCGGNGJDCKP-NRFANRHFSA-N 396.512 2.696 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2C)c1 26099167 ACORPZFCRASIED-UHFFFAOYSA-N 391.474 2.743 0 40 GFAB CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O 20673224 VDRIDKZYEZLWHE-UHFFFAOYSA-N 381.436 2.878 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2cccc(OC)c2)CC1 36403523 LZFNUWCNKXYQOX-UHFFFAOYSA-N 395.503 2.583 0 40 GFAB CN(C)[C@H](CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 48340769 IYJUJXBTYQUYRS-ZTLYHTANSA-N 383.536 2.738 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)Nc2ccc(CC(=O)N(C)C)cc2)ccn1 48314471 AJTGBMOIXGOJAF-UHFFFAOYSA-N 392.463 2.528 0 40 GFAB COc1cc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)cc(OC)c1OC 12884687 MMCJBIREJKGPEZ-UHFFFAOYSA-N 384.436 2.968 0 40 GFAB Cc1ccc2c(COC(=O)c3nn(C)c(=O)c4ccccc34)cc(=O)oc2c1 3435714 MMOUILBDVLFLRF-UHFFFAOYSA-N 376.368 2.705 0 40 GFAB COc1cc(CCNC(=O)CNC(=O)Nc2ccccc2)ccc1OC(F)F 12916485 YCPMHMLEGZQZTH-UHFFFAOYSA-N 393.390 2.777 0 40 GFAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)sc2c1 12932296 IUQUJNCVSZJYKV-UHFFFAOYSA-N 394.412 2.733 0 40 GFAB COCC(=O)N1CCCCC[C@H]1C1CCN(Cc2nnc(C(C)(C)C)o2)CC1 71890533 VOVMRSRNKQHKTI-KRWDZBQOSA-N 392.544 2.997 0 40 GFAB COc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc(OC)c1OC 14250458 BQEXWVSHDIUKPB-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB COc1ccc(NC(=O)CCCSc2ccccc2)cc1S(N)(=O)=O 6860248 RSNHYBDLKMQSOK-UHFFFAOYSA-N 380.491 2.854 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 4968844 FAMLCKIBUZGGRP-UHFFFAOYSA-N 397.884 2.984 0 40 GFAB CC(C)CN1CCC(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 96002527 YHYLGRFOGUHDKR-LJQANCHMSA-N 399.514 2.883 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c(C)c1 7779704 DILXJHWWHGVAPY-UHFFFAOYSA-N 383.448 2.855 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 8265643 PVPNMZCZYXHJQZ-UHFFFAOYSA-N 389.502 2.867 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C 20016377 UEPKQZBFUKODEG-GFCCVEGCSA-N 398.431 2.977 0 40 GFAB COC(=O)c1ccc(F)c(S(=O)(=O)NC2(c3nc(C)cs3)CCC2)c1 72307427 ANFHIGZPDIUWAU-UHFFFAOYSA-N 384.454 2.735 0 40 GFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1 72307356 RBCFUPRXPZBXLF-GASCZTMLSA-N 389.562 2.540 0 40 GFAB O=C(CN1CCCc2sccc2C1=O)N(Cc1cccnc1)C[C@H]1CCCO1 84425016 STDGXQYSXYKVCO-QGZVFWFLSA-N 399.516 2.739 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2O)cc1 95394597 OUYJOSZUKNBGOT-UHFFFAOYSA-N 383.429 2.865 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1NC(=O)c1ccccc1 408597199 UCXYNYRKZJKHLE-AWEZNQCLSA-N 392.477 2.651 0 40 GFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1cccs1 36708360 WJRKKXFLOJGMAP-UHFFFAOYSA-N 390.939 2.652 0 40 GFAB O=C(NCc1cccnc1)c1sc(N2CCOCC2)nc1-c1ccccc1 517069403 WZKOAFWFALIEHB-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB Cc1ccc(OCC(=O)OCC(=O)NCc2ccccc2Br)cc1 72331104 YYVGSYFVUOVCQP-UHFFFAOYSA-N 392.249 2.996 0 40 GFAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC)cc1 217484768 GQVGKUOYEHXZQV-UHFFFAOYSA-N 392.477 2.736 0 40 GFAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)c1 72390951 MRCBNJSGXHQYFB-SJORKVTESA-N 380.492 2.523 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(=O)OC)cc3)c(C)cc21 223356891 YCDDEGSEXMRZMZ-UHFFFAOYSA-N 390.417 2.510 0 40 GFAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225477157 VKZMSPJFFSBLAH-SNVBAGLBSA-N 398.510 2.571 0 40 GFAB COc1cccc(O[C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)c1 224738716 WJMDARGWOTWRCF-QGZVFWFLSA-N 384.476 2.611 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1 225916116 DVVSYHBTNOUJGL-UHFFFAOYSA-N 377.437 2.890 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224255990 VASLUDLFICJRKK-GFCCVEGCSA-N 398.431 2.617 0 40 GFAB O=C(CCSc1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101290 BJXXHEKOQHUWBG-UHFFFAOYSA-N 394.500 2.801 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CC(c3nc(Cc4ccccc4)no3)C2)c1 77190775 MOZHNZJSBWXNTA-UHFFFAOYSA-N 383.473 2.898 0 40 GFAB CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nc2ccccc2[nH]1 96231848 CYUBDDSJVXCRKZ-FQEVSTJZSA-N 379.464 2.512 0 40 GFAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(Br)cc2)o1 95478214 MHABZMGRXDQPOS-CYBMUJFWSA-N 397.221 2.949 0 40 GFAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1cccc(F)c1)C2 257327769 XCPYMPRGVOWMTP-SJBKTWHCSA-N 381.451 2.507 0 40 GFAB COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](c3nc4ccccc4o3)C1)CCC2 253403002 PGQAVLJKZYMENZ-AWEZNQCLSA-N 393.443 2.964 0 40 GFAB O=C1CS(=O)(=O)c2cc(NC(=O)c3cc(F)c(Cl)cc3F)ccc2N1 1133114652 OGJOWYKBAJFFKA-UHFFFAOYSA-N 386.763 2.596 0 40 GFAB COCc1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 648936856 QCQVQIGCZKKPGZ-ZDUSSCGKSA-N 382.386 2.594 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccc2nnc(O)n2c1 670416507 UDVURRWNVITVES-INIZCTEOSA-N 377.404 2.732 0 40 GFAB CCc1ccccc1CNC[C@@H]1CC(=O)N(CCOC)[C@H]1c1cnn(C)c1C 1615588744 DFOOUSTXFIAEEJ-SIKLNZKXSA-N 384.524 2.617 0 40 GFAB Cc1cc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)ccc1C(=O)O 562982074 FSIJPPIOHQSCHC-LIRRHRJNSA-N 379.478 2.508 0 40 GFAB COC[C@@H]1CN(C(=O)c2ccsc2)CC12CCN(C1CCOCC1)CC2 585103897 SYWURNPGTMLVFE-KRWDZBQOSA-N 378.538 2.728 0 40 GFAB CN(CC(=O)N1CCC[C@@H]1C1CCCCC1)C1=NS(=O)(=O)c2ccccc21 55599896 GBWWROPBAIOWMG-QGZVFWFLSA-N 389.521 2.639 0 40 GFAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cc(Br)cs1 52847918 DCPUTEKWDHVLRZ-SECBINFHSA-N 376.320 2.955 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711116 KEEFAOQJRGLCSS-KRWDZBQOSA-N 390.461 2.657 0 40 GFAB Cc1cc(C)n2nc(C3=CCN(CC(=O)Nc4cccc(O)c4)CC3)cc2n1 19116669 QLMFZDAKWWRKSE-UHFFFAOYSA-N 377.448 2.780 0 40 GFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCCC[C@@H]1CN1CCCCCC1 19403677 AUGZJHDIXDSRCY-HXUWFJFHSA-N 386.540 2.789 0 40 GFAB COc1ccc(OC)c(CN2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1 19576397 QZOHFNVYAMFOQV-OFNKIYASSA-N 394.471 2.863 0 40 GFAB Cc1sc2ncn(CC3(O)CCN(C(=O)C4CCCC4)CC3)c(=O)c2c1C 19561326 QQHWMGZLDRAHFU-UHFFFAOYSA-N 389.521 2.619 0 40 GFAB CCn1c(N2C[C@@H]3CN(C(=O)c4ncccc4F)C[C@H]3C2)nc2ccccc21 1888913889 JOAFOJRNTQFIFY-GJZGRUSLSA-N 379.439 2.799 0 40 GFAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)C1(c2ccccc2)CCOCC1 1888930672 RBSKTIHZCQXESP-NRFANRHFSA-N 391.471 2.770 0 40 GFAB CCC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 26606044 MZNWXSKRCGFJIL-AWEZNQCLSA-N 385.430 2.768 0 40 GFAB CC(=O)Nc1cccc(NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl)c1 2696717 HXMVNOSIJQBXBB-NSHDSACASA-N 397.715 2.764 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)o1 2720165 AXJVYMBIZHHKNL-STQMWFEESA-N 392.481 2.551 0 40 GFAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)cc1 4105984 LAVLGUCCLXMTQT-MHZLTWQESA-N 381.457 2.824 0 40 GFAB Cc1csc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n23)n1 4250064 AHMYYMVCPXVVPJ-UHFFFAOYSA-N 398.473 2.580 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)c1 4852036 NKNOUWDUZQKYQB-GFCCVEGCSA-N 393.399 2.532 0 40 GFAB COc1cc(CSc2nnc(-c3cn(C)nc3OC)n2C)cc(OC)c1 12422596 CYBXNXVZDNJHBC-UHFFFAOYSA-N 375.454 2.534 0 40 GFAB Cc1ccc(Oc2cccc(C(=O)NCc3ccnc(N4CCCC4)n3)c2)nn1 206725151 OCGZIWMYWHMREU-UHFFFAOYSA-N 390.447 2.898 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@](O)(c1ccccc1)C1CCOCC1 575610916 CFSRPTYXMLNQFQ-ISGGHPHESA-N 395.455 2.859 0 40 GFAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(OC)c1OC 5416148 VZZGOFFAASRKFC-GOSISDBHSA-N 397.431 2.979 0 40 GFAB O=C(CSc1ncccc1C(=O)O)Nc1nnc(Cc2ccccc2)s1 12376602 VTJVTADWKWNHLK-UHFFFAOYSA-N 386.458 2.953 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 40096693 UGLWIPJUYODVKP-UHFFFAOYSA-N 380.297 2.929 0 40 GFAB CCOC(=O)c1nc(CN2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)cs1 40154116 NKSIMQRWPOVGKX-INIZCTEOSA-N 389.477 2.932 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)C2 101031845 VYPMSMQOKWIUFB-QRWLVFNGSA-N 394.512 2.673 0 40 GFAB C[C@H]1C(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccc(F)cc1 21267101 LNGMZTQBLDINPG-JTQLQIEISA-N 377.322 2.900 0 40 GFAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 32758108 NCHFDYCNWRLRFG-GOSISDBHSA-N 378.513 2.806 0 40 GFAB COc1ccc(CNS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1OC 641168 ZWRXMUKUJAIOEJ-AUUYWEPGSA-N 381.494 2.519 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CCN(c2ccccc2)CC1 12069895 FNBWGMQLVYIXST-UHFFFAOYSA-N 389.455 2.916 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)c(OC)c1 932181 RGNPJSACGNTZMI-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 1268357 MJRWCCHCROFYDI-UHFFFAOYSA-N 390.553 2.850 0 40 GFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cccc(F)c1 32999600 YSBNRQRRCLVPDC-UHFFFAOYSA-N 385.395 2.742 0 40 GFAB Cc1cc(OCC(=O)N[C@H](CC(C)C)C(=O)O)c2c(C)c(C)c(=O)oc2c1 2096396 AKXRNVFUVPUWII-CQSZACIVSA-N 375.421 2.713 0 40 GFAB biogenic COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)cc1OC 102896115 MNLFDKMPGGSOKV-PKOBYXMFSA-N 380.400 2.613 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)nn2)cc1 53775656 MBECCPWTQYKMFR-UHFFFAOYSA-N 385.468 2.705 0 40 GFAB COC(=O)c1cc(CNC(=O)CSCc2c(C)noc2C)ccc1OC 23038460 IDBYZOKWZUZZIA-UHFFFAOYSA-N 378.450 2.636 0 40 GFAB Cc1ccc(N(Cc2ccco2)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 23270949 QDDLQCOOHJFMRW-UHFFFAOYSA-N 397.456 2.619 0 40 GFAB Cc1ccc(C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 10731323 UAHCULSFKKLSBP-SFHVURJKSA-N 393.505 2.500 0 40 GFAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 53163149 QASOERGHISOSLW-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB C[C@@H](NC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cc2ccccc2o1 23718498 SVYAPTYUGSWCTM-RHSMWYFYSA-N 390.505 2.509 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)c2ccccc2O1 24857523 MPXLJTYONYPFCE-AWEZNQCLSA-N 379.338 2.563 0 40 GFAB COc1ccc2c(c1)[C@@](O)(CC(=O)c1cccc(Br)c1)C(=O)N2 1320669 CEBBZDUWSQNPTN-KRWDZBQOSA-N 376.206 2.870 0 40 GFAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1 3264832 OAAIVBHUNJTRDI-UHFFFAOYSA-N 375.388 2.946 0 40 GFAB CC(C)Oc1ccc(NCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1Cl 55835984 JPJJZHOAGUIGEY-UHFFFAOYSA-N 379.888 2.620 0 40 GFAB FC(F)(F)c1ccc(-c2noc(CN3CCN(c4ncccn4)CC3)n2)cc1 25312337 GNJNFFQAHWZNRN-UHFFFAOYSA-N 390.369 2.868 0 40 GFAB CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC2(C)Cc3ccccc3C2)cc1 92194443 IGMMIVXPMNVPRU-AWEZNQCLSA-N 387.505 2.512 0 40 GFAB O=C1CN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cn2)CCN1 48280188 JSOOXUDSDZLHQE-UHFFFAOYSA-N 380.379 2.669 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1 58086174 CKLDZTRWOCIUPK-LBPRGKRZSA-N 380.853 2.869 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 113947349 LKSOQPWWEGSDRM-MISYRCLQSA-N 390.549 2.842 0 40 GFAB CCc1ccc(NC(=O)CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1 58209888 MDOLNUPQGZDZGP-GOSISDBHSA-N 381.476 2.897 0 40 GFAB Cc1ccc(OCCN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 24389021 QRRZCIJFZJIOJM-UHFFFAOYSA-N 377.444 2.751 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 3333273 KYKNAJXINOVNML-KUHUBIRLSA-N 390.443 2.508 0 40 GFAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 68935304 WKTDDJBYQUKGBK-WMLDXEAASA-N 376.453 2.732 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1F 3347079 PULBBWMJGZSPTN-MRXNPFEDSA-N 384.407 2.665 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 12799350 HQMVUSJJOONQAT-INIZCTEOSA-N 394.880 2.973 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 12856161 VHYJBQOCMKPZSE-UHFFFAOYSA-N 397.866 2.861 0 40 GFAB CN(Cc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8780528 CYEHXAHFGMIKNY-UHFFFAOYSA-N 387.910 2.783 0 40 GFAB CC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1 8751027 YEHSZCUZKUJQTG-UHFFFAOYSA-N 380.491 2.990 0 40 GFAB COc1ccc(CCNC(=O)CSc2nc(C3CCCC3)n[nH]2)cc1OC 8707808 MKYLWBBVEDNGDL-UHFFFAOYSA-N 390.509 2.931 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc(F)cc1 3592566 OTJRQWKOIAVHHJ-JLCFBVMHSA-N 395.434 2.787 0 40 GFAB O=c1n(CN2CCC(c3nc4ccccc4s3)CC2)nnn1-c1cccs1 12908291 JJPAVFVSQJZYII-UHFFFAOYSA-N 398.517 2.937 0 40 GFAB O=C(c1ccccn1)N1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306123345 AKPPMCPEMVICPF-INIZCTEOSA-N 376.464 2.744 0 40 GFAB COc1ccc(-c2n[nH]cc2CN2CCN(Cc3ccccn3)CC2)c(F)c1 20166071 VOOKUBVKDKCXFG-UHFFFAOYSA-N 381.455 2.937 0 40 GFAB CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2nccs2)cc1 5034111 KWOMPFAVIBVTIJ-SNVBAGLBSA-N 376.467 2.637 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cncc(Br)c2)c1 9530677 GBUIOQAZZDKMMZ-UHFFFAOYSA-N 393.193 2.670 0 40 GFAB Cn1c(CSc2nc(N)cc(N)n2)nnc1SC/C=C/c1ccccc1 4335107 CLUNFIYWTAPTSB-VMPITWQZSA-N 385.522 2.867 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 13957995 ORQFGHOGKYZHFZ-FZKCQIBNSA-N 392.242 2.905 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1F 14093455 AIDINQDOVVXKPX-UHFFFAOYSA-N 391.472 2.628 0 40 GFAB Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2n1 5355348 BZLSFZRCSZFUDG-UHFFFAOYSA-N 375.384 2.685 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)COc2ccc(Br)cc2)cc1 14171347 XUDTZQYHXZQORG-UHFFFAOYSA-N 391.265 2.846 0 40 GFAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(-n2cncn2)cc1 14231485 QZPUNWCTHHPNIB-HNNXBMFYSA-N 375.432 2.885 0 40 GFAB CN(C)C(=O)[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccccc1 5506306 RMBCWDDHPQJJON-KRWDZBQOSA-N 382.489 2.736 0 40 GFAB CCOC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CC(C)(C)OC2 6662960 OAHAYJQAOGVRSH-UHFFFAOYSA-N 381.498 2.555 0 40 GFAB COc1cccc([C@@]2(C)NC(=O)N(NC(=S)Nc3cccc(C)c3)C2=O)c1 5688917 BYMYTLGFCPKFJY-LJQANCHMSA-N 384.461 2.672 0 40 GFAB O=S1(=O)CCN(CCc2ccccc2)[C@H]2CCN(Cc3ccccc3)C[C@@H]21 306130764 JOUOESSZYOVJJW-VXKWHMMOSA-N 384.545 2.603 0 40 GFAB CCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 7268134 MMFJWOWVSRMQGA-CQSZACIVSA-N 383.448 2.875 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)C1=O 15858305 GBPQYSXJLXDKJB-LLVKDONJSA-N 384.885 2.715 0 40 GFAB COc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7972073 IYQSHKFSPJRJMH-UHFFFAOYSA-N 397.884 2.650 0 40 GFAB COc1ccc(CNC(=O)CCN2C(=O)CSc3ccccc32)cc1OC 8134179 RYLBPADFUVMJCG-UHFFFAOYSA-N 386.473 2.849 0 40 GFAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 69419377 AGHSZHYGAFSQKJ-PXNSSMCTSA-N 391.471 2.875 0 40 GFAB Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)NC4CCCCC4)n3n2)n1 72402390 LMVIKRRIRICGKI-UHFFFAOYSA-N 381.484 2.698 0 40 GFAB Cc1cc(C(=O)COc2cccnc2Cl)c(C)n1[C@H]1CCS(=O)(=O)C1 84079577 GLUQKJPXJCQHJD-ZDUSSCGKSA-N 382.869 2.775 0 40 GFAB CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)nn1 84199766 BFKRYEBVJNUZNR-DZGCQCFKSA-N 393.390 2.745 0 40 GFAB C[C@]1(NC(=O)Nc2ccc(Br)cc2Cl)CCS(=O)(=O)C1 84673554 NVCRVZPAKDWCSB-LBPRGKRZSA-N 381.679 2.801 0 40 GFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1cncc(F)c1 95465091 BAZBHOJYBGBTAZ-CYBMUJFWSA-N 391.468 2.933 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cn1 95455486 YOFCMWZNMPWHKD-UHFFFAOYSA-N 386.433 2.813 0 40 GFAB O=C(CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)NC(C1CC1)C1CC1 95955994 JVYNWGANELUMTF-UHFFFAOYSA-N 391.519 2.570 0 40 GFAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(C)sc2ccccc12 95995688 MHYTYQARTHMIKV-UHFFFAOYSA-N 396.515 2.919 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)ccc21 23294917 NCMRSBODPKHALO-QGZVFWFLSA-N 377.444 2.896 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1 20023642 GSVMRWQCFOIBKG-UHFFFAOYSA-N 378.469 2.761 0 40 GFAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccccc2)cc1 67896628 VCNYDNKATJJGOJ-TZIWHRDSSA-N 382.460 2.856 0 40 GFAB biogenic,in-vitro CCn1cc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)c(C)n1 36619178 YVKSWOYEAQSKLM-CYBMUJFWSA-N 375.436 2.807 0 40 GFAB CCn1cc(CCC(=O)N2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c(C)n1 72390015 JJSLHTJUGFSRMV-KRWDZBQOSA-N 394.479 2.995 0 40 GFAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2CC(=O)N2CCCC2)c1 72376836 GDWCUFXIFMFYGE-LJQANCHMSA-N 395.507 2.884 0 40 GFAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(CN2CCCC2=O)cc1 219233731 APZKVSZFVRKBBY-UHFFFAOYSA-N 382.445 2.851 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1OC 32659053 NCKSQZHGLWIRPU-UHFFFAOYSA-N 380.448 2.874 0 40 GFAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc2c(c1)OCCO2 70636147 WCTSDZIPIDMJDE-GOSISDBHSA-N 385.441 2.623 0 40 GFAB O=C(O)C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 567603265 MBHDTVMDEXTYJN-SECBINFHSA-N 383.800 2.817 0 40 GFAB COc1cc2c(=O)n(C(C)C)c(=O)n(CC(=O)c3ccccc3)c2cc1OC 71282692 OZBPBNYBVJVYLB-UHFFFAOYSA-N 382.416 2.644 0 40 GFAB Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 48354203 KHKRRBZKVGPJGS-UHFFFAOYSA-N 393.852 2.501 0 40 GFAB CC(C)Oc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 223632868 RFEQFTHBWWRBTM-UHFFFAOYSA-N 384.483 2.721 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2ccc(F)cc2)cc1 226046982 QMZOEIOHFKREQY-UHFFFAOYSA-N 394.468 2.898 0 40 GFAB CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1cccc(Cl)c1 224343904 UDKVYBMVPIQQEU-UHFFFAOYSA-N 381.889 2.597 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)cc1 224609133 BVIVYGPFHZOKQV-UHFFFAOYSA-N 387.505 2.719 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 222629818 WJHSXIKRHYQEHX-CQSZACIVSA-N 386.423 2.650 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1 48344147 NKRUFNHZNUGNKY-UHFFFAOYSA-N 387.379 2.961 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)[C@H](C)c3cc(F)ccc3F)ccc21 45259836 RGVZOEPHBRRAPB-LLVKDONJSA-N 387.386 2.821 0 40 GFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCC(Cn2cnnn2)CC1 40285091 RCZUTYRJCUURID-UHFFFAOYSA-N 386.887 2.973 0 40 GFAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 222910948 LWUWNEPLBUCUSA-KRWDZBQOSA-N 398.503 2.842 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 225875144 JZIRZTWAIQGVHQ-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)s1 582353944 DKMMJPXRYBEHPW-UHFFFAOYSA-N 391.514 2.856 0 40 GFAB COCC(C)(C)N1CCN([C@@H](C(=O)O)c2cccc(Br)c2)CC1 580898423 YEDABFAIAYCUNW-OAHLLOKOSA-N 385.302 2.617 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)c1F 239846256 LAEJIRDFMIWOTI-INIZCTEOSA-N 395.438 2.966 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242574884 NHVPZIMWEBWGRF-QWFCFKBJSA-N 391.464 2.582 0 40 GFAB O=C([C@H](CO)c1ccc(F)cc1)N1CCc2c(ncn2CCc2ccccc2)C1 585080836 LHMMRVQSZSCKJO-HXUWFJFHSA-N 393.462 2.926 0 40 GFAB O=C(COc1ccc(F)cc1)NCc1nnc2ccc(-c3ccsc3)nn12 253398161 GQCYNKBSAHUBTD-UHFFFAOYSA-N 383.408 2.687 0 40 GFAB COc1ccc(-c2nc3sc(=Cc4cccc(F)c4)c(=O)n3n2)cc1OC 254824279 LQSKHLNPRLMVLJ-UHFFFAOYSA-N 383.404 2.522 0 40 GFAB O=C(N[C@H]1C[C@@H]1c1cccnc1)C1CCN(C(=O)CCc2ccccc2)CC1 684824562 IJLUGWXHSXOJJD-RTWAWAEBSA-N 377.488 2.925 0 40 GFAB O=C(NCCn1ccc(-c2ccncc2)n1)C1(c2ccccc2)CCOCC1 96098803 COZTWHPZGJEPAY-UHFFFAOYSA-N 376.460 2.810 0 40 GFAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(=O)[nH]c1 55453134 OXBMIMKWPBLSCQ-UHFFFAOYSA-N 380.366 2.872 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 5934030 IXXFDFGZKDAMEV-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2SC)nc1N 5969596 GVRWWSJBCWQNQZ-UHFFFAOYSA-N 378.479 2.688 0 40 GFAB COc1ccc(C(=O)N[C@H]2CCCc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)cc1 12241188 NNPJOAOMIBBSNZ-KHYOSLBOSA-N 396.491 2.906 0 40 GFAB COc1cc(-c2cnc(N3CCC[C@@H](O)C3)nc2-c2cccs2)nc(OC)n1 12327917 UCPGYWYNHAUCQY-GFCCVEGCSA-N 399.476 2.640 0 40 GFAB Cc1cccn2cc(COC(=O)CCCN3C(=O)c4ccccc4C3=O)nc12 12548169 YCKQAXMAOZNSFY-UHFFFAOYSA-N 377.400 2.762 0 40 GFAB Cc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c(Br)c1 19174130 QHIUTDBSAZVIMB-UHFFFAOYSA-N 397.294 2.976 0 40 GFAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19556792 OQLDYGGEGQEGRY-XOBRGWDASA-N 396.539 2.586 0 40 GFAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)N1CCCCC1 19765635 XPGLHBFCAKSPLX-LJQANCHMSA-N 399.539 2.561 0 40 GFAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccncc1 19869025 BJPLFXTVZCQCJP-UHFFFAOYSA-N 397.431 2.713 0 40 GFAB C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1nccn1C 660634902 WMQPVMGCZJAPPE-ZIAGYGMSSA-N 377.439 2.723 0 40 GFAB Cn1cc(CN2CCCN(C(=O)c3ccc(Cl)c4ncccc34)CC2)cn1 669896019 HDNVWJSTXLWDEB-UHFFFAOYSA-N 383.883 2.970 0 40 GFAB CCC(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19498759 GCASEPLAGRQEHD-CQSZACIVSA-N 386.521 2.918 0 40 GFAB CCSc1ncc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cn1 19520524 ZZYBMVSVPQXJNV-HNNXBMFYSA-N 392.550 2.767 0 40 GFAB O=C(Nc1cnc2c(c1)COCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 679119492 LMDKFUWZNSRUND-UHFFFAOYSA-N 392.864 2.753 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1Cl 6861068 BOKCEYZAGZTZET-UHFFFAOYSA-N 382.825 2.571 0 40 GFAB O=C(Cn1nnc(COc2ccccc2)n1)N1CC=C(c2ccccc2)CC1 31110297 IURTYTANHXRMEB-UHFFFAOYSA-N 375.432 2.568 0 40 GFAB O=C1COC[C@@]2(CN(Cc3ccccc3Cl)CCO2)CN1c1ccccc1 2037984172 SAUZSLOBXUIKSU-OAQYLSRUSA-N 386.879 2.974 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037989060 SWOGADFEYQKFEE-NRFANRHFSA-N 383.423 2.567 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)OCCn2c(CN(C)CC4CC4)cnc23)o1 1565556203 PSGZKSKBSAACDG-UHFFFAOYSA-N 398.507 2.788 0 40 GFAB O=C(CN1C(=O)CCC1=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 4078722 KTKHHZBYZWZGOR-UHFFFAOYSA-N 381.413 2.756 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3ccccc3)nn2)CC1 4355404 YLEXSMFDLLESHA-UHFFFAOYSA-N 386.477 2.536 0 40 GFAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 9570891 LUHLVOIEDBUQDP-UHFFFAOYSA-N 383.280 2.889 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1C 9844439 RBCRFOALHFHDBK-UHFFFAOYSA-N 397.500 2.814 0 40 GFAB C/C=C/Cn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 10233692 FAIZPIQCIPVRPW-MOEXGYKKSA-N 391.475 2.952 0 40 GFAB CN([C@@H]1CCCN(Cc2cccc(Br)c2)C1)S(=O)(=O)C1CC1 2086889664 JRZAYIBTMDOCJJ-OAHLLOKOSA-N 387.343 2.838 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)CCC(=O)c3ccccc3)n2)cc1 44227188 IBCMMJBMTHEZDX-UHFFFAOYSA-N 395.415 2.937 0 40 GFAB COc1ccccc1S(=O)(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 575618267 GEDZGTZZNXLEED-GOSISDBHSA-N 383.473 2.765 0 40 GFAB CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(C)c1 17112361 ADULOBBAOOBCHI-WOJBJXKFSA-N 397.544 2.886 0 40 GFAB O=C(CSCc1ccccc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225789942 NEXCIZTXCQTCDV-UHFFFAOYSA-N 382.533 2.937 0 40 GFAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20025300 QGXQCTSNYIUTPY-GHMZBOCLSA-N 379.844 2.656 0 40 GFAB CCn1c(SCc2nc3ccccc3c(=O)n2C)nc2ccccc2c1=O 31689997 LJMQSIBUJXSHCB-UHFFFAOYSA-N 378.457 2.956 0 40 GFAB Cc1nnc(COC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)o1 32638791 URTRIPWGYLYMRZ-UHFFFAOYSA-N 391.383 2.574 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3ccc(F)cc3s2)cc1 32745467 QIFLCZVKHPOJON-UHFFFAOYSA-N 395.433 2.924 0 40 GFAB COC(=O)CCCCCNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 21439854 YENQKFZEWRATTQ-UHFFFAOYSA-N 389.448 2.892 0 40 GFAB COc1cc(C(=O)NCC2(c3ccccc3)CCCC2)ccc1OCC(N)=O 32879977 SUTXGZMMKUORND-UHFFFAOYSA-N 382.460 2.801 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(S(N)(=O)=O)ccc1Br 32904746 OJMWBPOUBNBXOB-SNVBAGLBSA-N 395.278 2.688 0 40 GFAB O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1cnn(-c2ccccc2Cl)c1 78820752 XAMUTEDZLTXJHC-OAHLLOKOSA-N 387.848 2.784 0 40 GFAB O=c1c2cnn(-c3ccccc3)c2nnn1Cc1coc(-c2ccc(F)cc2)n1 79058208 ANEJNKNQPFUKTK-UHFFFAOYSA-N 388.362 2.820 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 6213686 LQRGTBFLVJPJHL-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB COc1ccc([C@@H]2c3c(-c4ccc(C)cc4)nnc(O)c3Nc3nnnn32)cc1 10232573 JGVLHVKTTQTENZ-GOSISDBHSA-N 387.403 2.847 0 40 GFAB COc1ccc(CCC(=O)Nc2nc(CN3CCOCC3)cs2)cc1OC 22701398 FZXDKZZUIPWQAL-UHFFFAOYSA-N 391.493 2.564 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(Cc3ccsc3)CC2)c1 22935242 ZZNTUROCYRUBRD-HNNXBMFYSA-N 389.521 2.910 0 40 GFAB C/C=C/c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)nc2)c(OC)c1 22994882 MULAPBCJYJNQBG-ONEGZZNKSA-N 383.448 2.977 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCc2ccccc2C1 22959053 OFXRPYLVSLATDV-INIZCTEOSA-N 397.504 2.563 0 40 GFAB O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc3c(cc2o1)OCO3 54220036 XZJBVXSZJGEIMJ-UHFFFAOYSA-N 382.391 2.983 0 40 GFAB biogenic COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 24136130 AUGVCTZKWREKLQ-UHFFFAOYSA-N 382.460 2.597 0 40 GFAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(F)c1 12543603 KBOZGMGGKYKDKX-UHFFFAOYSA-N 380.416 2.678 0 40 GFAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1noc2c1CCCCC2 9227035 QEYQKHKICQQSAQ-UHFFFAOYSA-N 382.508 2.886 0 40 GFAB Cc1cccc2c(=O)nc(CN3CCC(C(=O)N4CCCCCC4)CC3)[nH]c12 57369300 RQKKLQLNSCIVCP-UHFFFAOYSA-N 382.508 2.846 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN1CCN(c2nccs2)CC1 57463403 XEAUFLYSTCSZQT-UHFFFAOYSA-N 395.326 2.975 0 40 GFAB COc1ccc(OC)c(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)c1 27021631 GNNOWCNWQKHQNP-XASRFGTQSA-N 391.452 2.886 0 40 GFAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)NC[C@@H](c1cccs1)N(C)C)(C3)C2 101725579 KSJNSCXLBZJEMT-QGGNESHTSA-N 389.565 2.942 0 40 GFAB C[C@@H]1CCN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C 22588531 DXHCKJUCLLXPRL-HXUWFJFHSA-N 396.531 2.882 0 40 GFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)cc1 12797244 PDADLUCUHQNRBK-OQHXTRMZSA-N 376.503 2.815 0 40 GFAB COc1ccc([C@H]2Nc3ccccc3-c3c(O)nc(SC)n[n+]32)cc1OC 27233048 SWQHCHNNCXZSFB-KRWDZBQOSA-O 383.453 2.848 0 40 GFAB Cc1cnc(NC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)s1 10556205 MIAFNLLHHUDTTD-ZDUSSCGKSA-N 392.506 2.543 0 40 GFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)ccc1OC 12768072 MYYKFIBSQYJVFV-CQSZACIVSA-N 383.242 2.991 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)sc1C(=O)O 48340613 QMKTUZZXBHDNJA-UHFFFAOYSA-N 382.463 2.694 0 40 GFAB c1cc(CSc2nnnn2C2CC2)ccc1CSc1nnnn1C1CC1 12811801 MFXOQNSQKHUSAS-UHFFFAOYSA-N 386.510 2.914 0 40 GFAB COc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1S(N)(=O)=O 12918290 SOWHPCXIHYYZFR-UHFFFAOYSA-N 389.351 2.718 0 40 GFAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)N1CCc2sccc2C1 12933440 JNTREMKGBDBUAL-QPJJXVBHSA-N 388.514 2.886 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 24032181 MLXUXPOSFWCEFN-UHFFFAOYSA-N 387.379 2.961 0 40 GFAB Cn1ncc2c(N3CCCCC3)nc(N3CCN(c4ccccc4)CC3)nc21 4272781 FWZCHAVQBFRIOK-UHFFFAOYSA-N 377.496 2.680 0 40 GFAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O 64987581 LKOLQOVZXWGFMV-UHFFFAOYSA-N 378.432 2.716 0 40 GFAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1NCCO 5279137 VRFXYVLOKHVPNV-UHFFFAOYSA-N 396.487 2.729 0 40 GFAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 18250316 IJESFENOBMRBHF-HXUWFJFHSA-N 391.427 2.836 0 40 GFAB CN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)N(C)C1=S 4472465 CCLJCTYMUUSUKV-WQRHYEAKSA-N 396.516 2.730 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c1C 14069185 HRLVQYIHWPHDAV-UHFFFAOYSA-N 399.447 2.615 0 40 GFAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCN(Cc2ccccc2)CC1 18366032 YPKDAYLOCXKPIQ-HNNXBMFYSA-N 397.504 2.890 0 40 GFAB Cc1csc([C@H]2CCCCN2C(=O)Cc2csc(N3CCNC3=O)n2)n1 65577565 WWBXDXAXJZNGSJ-CYBMUJFWSA-N 391.522 2.734 0 40 GFAB COCCCn1c(C(=O)N2CCCCCC2)cc2c(=O)n3ccccc3nc21 5324613 NOZUHMDBVPKGFZ-UHFFFAOYSA-N 382.464 2.702 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C[C@@H](C)O1 14139838 QILZLNZRUWPYQN-BETUJISGSA-N 392.550 2.993 0 40 GFAB CCn1c(SCc2nc(C(C)C)no2)nc2cc(S(N)(=O)=O)ccc21 29141891 GJTSKRVADPDPCO-UHFFFAOYSA-N 381.483 2.502 0 40 GFAB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc2c(c1)OCCO2 6505834 CVDIPHUTKBFURL-UHFFFAOYSA-N 379.315 2.855 0 40 GFAB COc1cc2c(cc1OC)CN1C(=S)N(c3cccc(C(C)=O)c3)C(=O)[C@H]1C2 4761298 PELNLIHBJRJLFD-QGZVFWFLSA-N 396.468 2.965 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14909801 LZRKMNZLWSBWEH-SJLPKXTDSA-N 394.471 2.948 0 40 GFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 5881466 SHIBSTMRCDJXLN-KLFBRAJWSA-N 390.520 2.575 0 40 GFAB biogenic CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1nnc(-c2ccc(Cl)cc2)n1 15190157 ZVNCPXQIJBIDLJ-OAHLLOKOSA-N 399.838 2.990 0 40 GFAB COCCN(C(=O)CSc1nnnn1-c1ccccc1C)C1=CCCCC1 8937647 YDHMCAIZASEABB-UHFFFAOYSA-N 387.509 2.996 0 40 GFAB Cc1cc(C)n(-c2cncc(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n2)n1 67711616 KZBXGHVQSCDOGA-UHFFFAOYSA-N 389.463 2.764 0 40 GFAB NC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 408749357 GCURYRFORSZNNA-MNOVXSKESA-N 393.490 2.703 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 7808993 FLWVZLYZTJRREW-UHFFFAOYSA-N 384.360 2.511 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)c(C)c1 7982726 KTUUGFCURXVBKO-UHFFFAOYSA-N 388.518 2.819 0 40 GFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)o1 8379558 PWASBPBIZHTPGD-UHFFFAOYSA-N 384.457 2.888 0 40 GFAB C[C@@H](O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)C1 95972458 WPPWGFLPSZVBJU-NEPJUHHUSA-N 383.370 2.830 0 40 GFAB Cc1c(C(=O)NCCCCCCC(=O)O)nnn1-c1ccc(OC(F)F)cc1 95970458 TWKCLSKQZUZHMA-UHFFFAOYSA-N 396.394 2.942 0 40 GFAB NC(=O)CCC1CCN(C(=O)c2cc(-c3c[nH]c4nccc-4c3)ccn2)CC1 1556067402 XIFQPHQAPBHVAY-UHFFFAOYSA-N 377.448 2.694 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1ccc(F)cc1 408705239 ACTWWFPKJZFFDD-UHFFFAOYSA-N 378.469 2.731 0 40 GFAB CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)[C@](CN)(c2ccccc2)S1 36488438 ZRLQKEHEOWGFAF-IBGZPJMESA-N 376.526 2.853 0 40 GFAB Cc1csc2ncc(C(=O)NC[C@@H]3CCO[C@H]3c3ccc(F)cc3)c(=O)n12 548348557 WXDXQDOISRPBBT-BBRMVZONSA-N 387.436 2.711 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72349700 FOFQNSRUSJXESH-FQEVSTJZSA-N 379.504 2.711 0 40 GFAB Cc1c(OCC(=O)N2CCN(c3ccccc3)CC2)c(=O)ccn1CCC(C)C 524733272 CPLANEZNEOMLOQ-UHFFFAOYSA-N 397.519 2.930 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cc2s1 32071896 SHJCPSSUUXMZIY-NTZNESFSSA-N 377.491 2.610 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(F)c(F)c2)C(=O)N3)cc1 31816335 GPWDFHIGKRBCDX-HNNXBMFYSA-N 399.357 2.754 0 40 GFAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2nccc3ccccc23)C1 225505830 MHVOPMMWYNCLCP-INIZCTEOSA-N 377.448 2.774 0 40 GFAB CCCc1nnsc1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197728 JGKGYCMGCQRDLT-UHFFFAOYSA-N 375.376 2.912 0 40 GFAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1 225127680 POLWYZPKQZHEFJ-UHFFFAOYSA-N 385.463 2.524 0 40 GFAB NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(O)c2)cc1 199152696 YMVRMYZEYUEFRM-UHFFFAOYSA-N 383.351 2.911 0 40 GFAB CCOCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224294361 SZQPVCMPLJLFFZ-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB Cc1cc(O)c(C2=Nc3ncnn3[C@@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 227173329 XJXOSYSZHONSFB-CYBMUJFWSA-N 388.330 2.961 0 40 GFAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96052721 SGRWAZMBCPRAQL-MRXNPFEDSA-N 378.476 2.616 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242463604 DFNOHQDZDNWXQD-YQVWRLOYSA-N 393.892 2.788 0 40 GFAB CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2cccc(OC)c2)on1 257207098 BGIHJVDSWVGWFA-QUCCMNQESA-N 385.464 2.862 0 40 GFAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)CN(C)C)CCO2)n1 257290240 QCDBWLWNDFNTJP-KRWDZBQOSA-N 389.525 2.668 0 40 GFAB CN([C@H](C(=O)NCCSCc1ccccc1)c1ccccc1)S(C)(=O)=O 260743497 JFTRKTVQOZARQA-SFHVURJKSA-N 392.546 2.669 0 40 GFAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1onc2c1CCCC2 613135532 MRHUTRSVAPPANX-HNNXBMFYSA-N 377.803 2.881 0 40 GFAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(-n3cccn3)ccc2C)C1 626534317 FZJQWGVECLBMFH-CMKODMSKSA-N 383.496 2.944 0 40 GFAB COc1ccccc1-c1noc([C@H](C)NC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)n1 626753805 ADWFPIRXCNGIIW-AGIUHOORSA-N 388.424 2.558 0 40 GFAB Cc1nnnn1-c1cc(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)ccc1F 665961475 VMZLEDZJYQGNSD-RDJZCZTQSA-N 396.426 2.804 0 40 GFAB CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 666456730 UPNYWZXNWDKGHT-UHFFFAOYSA-N 379.460 2.620 0 40 GFAB CCOc1ccccc1CN1CCN(C(=O)c2ccc(C(=O)O)nc2)[C@@H](C)C1 669453245 AMVYZFIOPDYNRC-HNNXBMFYSA-N 383.448 2.525 0 40 GFAB O=C(COc1ccc(F)cc1)NC1CCN(c2nc3cccnc3s2)CC1 390829446 YVDCIQRZSXAJQX-UHFFFAOYSA-N 386.452 2.994 0 40 GFAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(F)ccc3OC)cc2C1 96096304 ASRHGZDIJANEDE-UHFFFAOYSA-N 394.424 2.760 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CCC2=O)c1 56952800 AQTNAQXIECBDLC-KRWDZBQOSA-N 395.463 2.800 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@H](Cc2ccccc2-c2cccc(F)c2)C1 72391052 LILQWILYKGHTJX-LJQANCHMSA-N 398.478 2.989 0 40 GFAB Cn1cc([C@@H]2OCC[C@H]2NC(=O)N[C@@H](Cc2ccccc2)c2ncco2)cn1 654599053 PDHLSDWRIOHFRK-SQNIBIBYSA-N 381.436 2.521 0 40 GFAB O=S(=O)(c1cnc(N2CCC[C@@H](F)C2)c(C(F)(F)F)c1)N1CCCC1 1615053431 SPVNEXVWXDIOCZ-LLVKDONJSA-N 381.395 2.823 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)Nc3ccccc3C(N)=O)c(C)c2oc1=O 5346064 INENKCZYISQFHG-UHFFFAOYSA-N 380.400 2.835 0 40 GFAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 12374002 AVFBZZQSSKXRFN-UHFFFAOYSA-N 381.480 2.657 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)Cc2cccc(C)c2)C3)C1 19234792 AADAMBQNOGHELU-IBGZPJMESA-N 392.503 2.638 0 40 GFAB COc1ccc2c(c1)C[C@@H]([C@H]1CCCCN1C(=O)Cc1ccccn1)C(=O)N2 19562318 GYYNNNVJHBJHOE-AZUAARDMSA-N 379.460 2.825 0 40 GFAB Cc1oc2c(c1C(=O)N1CC[C@@H](c3nc(-c4ncccn4)no3)C1)CCCC2 19581185 FHSANNLAIQICEI-CYBMUJFWSA-N 379.420 2.937 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590431 CQACSZQEPFLLJC-HNNXBMFYSA-N 396.491 2.502 0 40 GFAB Cn1cc(-c2cc(NCC3(c4cccc(F)c4)CCOCC3)nc(N)n2)cn1 19717898 BRHVAHWJMPKLFV-UHFFFAOYSA-N 382.443 2.759 0 40 GFAB CC1(C)CCCN(C(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 19751532 MDTBNSRJWLBQQN-UHFFFAOYSA-N 399.466 2.566 0 40 GFAB Cc1cccc(CN2CCC[C@](O)(CN3CCN(c4ccccc4)CC3)C2=O)c1 19773509 QBVYLUBEXKSTTC-DEOSSOPVSA-N 393.531 2.671 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@@H]1c1cnn(C)c1 500728360 ZNQWYYMCGPCKCT-NQIIRXRSSA-N 398.482 2.752 0 40 GFAB CC1(C)O[C@@](C)([C@H]2CC3(CCN(Cc4cnccn4)CC3)CO2)CC[C@@H]1O 643250976 JZXXSUOXCLKMBB-NLWGTHIKSA-N 375.513 2.556 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CCC[C@@H](O)C2)nc1-c1cnc(C)cn1 12156525 ATOZFHYEKWDIBF-CQSZACIVSA-N 380.452 2.729 0 40 GFAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 12228467 HSOJRXKCGLJJLA-HNNXBMFYSA-N 395.463 2.925 0 40 GFAB O=C(CNCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 4501799 PGIFXFJLWKUSAR-UHFFFAOYSA-N 393.534 2.651 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 5654136 HMDKGEYTNKXFAE-ZDUSSCGKSA-N 390.395 2.887 0 40 GFAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)NC(=O)NC)s1 6786344 OQVMFVAZGLIJKG-SECBINFHSA-N 381.483 2.617 0 40 GFAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)Nc5ccccc5Cl)C[C@H]4C3)nn12 1888909626 PYTBFQJIPXQLBB-ZIAGYGMSSA-N 397.870 2.686 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 1889128372 CJXOVDXMAMHCDW-XJKSGUPXSA-N 394.397 2.985 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2ccncc2F)CC1 1848618176 NDZNQWRDYALIAJ-UHFFFAOYSA-N 380.423 2.791 0 40 GFAB O=C1COC2(CCN(C(=O)C3(C(F)(F)F)CC3)CC2)CN1c1ccccc1 2037988535 SLOXXLKURTYULN-UHFFFAOYSA-N 382.382 2.754 0 40 GFAB Cc1cccc(CN2CCC[C@@]3(CCCN(C(=O)CCn4cccn4)C3)C2)n1 2056223772 FNIJUBSNGSQKAR-JOCHJYFZSA-N 381.524 2.881 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccccc2)n(C)c1=O 4249299 WRNRVTBKEGLNBX-MRXNPFEDSA-N 395.507 2.743 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1 5329644 ZBYLUCNSCCRYCF-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB O=C(COc1ccccc1F)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 13695710 RHFSSYRLVKLZLF-LJQANCHMSA-N 384.407 2.911 0 40 GFAB Cc1nc(N2CCC(COc3ccc(C4CC4)nn3)CC2)c2cnn(C)c2n1 1775969439 RLRUVMXRGYIWDQ-UHFFFAOYSA-N 379.468 2.635 0 40 GFAB O=C(c1cncc(F)c1)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775971478 PHNCLNNNPDGONB-UHFFFAOYSA-N 378.407 2.922 0 40 GFAB CCOc1ccc2nc(NC(=O)[C@@H](C)n3nc4c(cc3=O)CCC4)sc2c1 575620490 RMHXBJYMMLPBEE-LLVKDONJSA-N 384.461 2.940 0 40 GFAB CC(C)CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 585146959 ZRZYNSHQIGBGSR-MRXNPFEDSA-N 393.958 2.705 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575613409 QKBNKKCUQQTLRO-OAHLLOKOSA-N 392.253 2.688 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 30034381 FMTSMMOEPXZZBC-HOTGVXAUSA-N 393.491 2.783 0 40 GFAB CC(C)CCNC(=O)NC(=O)COc1ccccc1I 31656555 WPRHINQNWHEMRT-UHFFFAOYSA-N 390.221 2.542 0 40 GFAB C/C(O)=C1/C(=O)N(c2ccccc2)C(=O)[C@@]1(NC(=O)CC(C)C)C(F)(F)F 20468481 WVOYTYPBGMWSFJ-GWKQRERASA-N 384.354 2.855 0 40 GFAB O=C1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c2ccccc2N1 32426685 CNCDBNAVMNOFFB-MRXNPFEDSA-N 375.428 2.514 0 40 GFAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32841122 CCFHUHQDLAJIKT-ZETCQYMHSA-N 386.462 2.562 0 40 GFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1OC 8768310 OXVBVOPHRBDTMV-UHFFFAOYSA-N 392.477 2.823 0 40 GFAB CCC(CC)C(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914259 GYANOYDHXWWWOJ-GFCCVEGCSA-N 392.315 2.994 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)c1ccc(F)cc1 3596663 VYFAPTQOKJNWCX-KSSFIOAISA-N 383.423 2.556 0 40 GFAB COc1ccccc1CNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C 12165941 SHQIZFJLOVKFLA-UHFFFAOYSA-N 378.428 2.903 0 40 GFAB COc1ccc(OCCN2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 103349109 UXGQLPXJZZCQBY-ABSDTBQOSA-N 389.565 2.755 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 6138957 AQFIQDOOPDWNFT-LBPRGKRZSA-N 376.906 2.710 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 6328520 QDZHZNJVEZTKKY-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OC(F)(F)O4)ccc21 7325433 UEEXPLZJDLVLCJ-UHFFFAOYSA-N 396.371 2.718 0 40 GFAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 8476127 XMMUEZRJNGPLLV-OAHLLOKOSA-N 388.489 2.971 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 108859126 NJTIPEZDFSWMHQ-OSFYFWSMSA-N 392.525 2.877 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1ccc2c(c1)OCCO2 24613077 YBFYCJAPJBSLCU-UHFFFAOYSA-N 375.808 2.741 0 40 GFAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 22241612 ZYUCEZCGLLRMJV-HXUWFJFHSA-N 399.535 2.692 0 40 GFAB O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1431606 DTVHLZYTZZCTEN-KAPMFFAGSA-N 388.533 2.781 0 40 GFAB O=C(O)CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 103867525 OASJPWQLYVTQGY-WDQYXFPCSA-N 386.454 2.785 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 25361363 HWOYFLYCSGTGRR-HXUWFJFHSA-N 399.466 2.880 0 40 GFAB O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2cccc3cn[nH]c23)c1 55581202 NQKIYAIWFTUPFW-UHFFFAOYSA-N 398.366 2.656 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCc2ccc(F)cc21 57118461 XXXURFSVUUAZAD-UHFFFAOYSA-N 379.409 2.603 0 40 GFAB COc1cc(NC(=O)Cn2c(SC)nc3ccsc3c2=O)cc(OC)c1 57505043 NCYUCVDROWVUDG-UHFFFAOYSA-N 391.474 2.836 0 40 GFAB NC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CCCC2 3201116 HPBPTGMPZCROFZ-UHFFFAOYSA-N 397.456 2.632 0 40 GFAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCn1c(=O)oc2ccccc21 58195905 PCJYTFAPHDPCOG-UHFFFAOYSA-N 375.331 2.860 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1C 2107692 MVKNCJSTPHJRAC-KRWDZBQOSA-N 375.421 2.576 0 40 GFAB biogenic CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 10312712 LFNGZHDPMRRSLI-UHFFFAOYSA-N 380.242 2.586 0 40 GFAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1 28891910 UTVNRJIBZRHRAE-NRFANRHFSA-N 391.471 2.916 0 40 GFAB Cc1nn(C)c2c(N3CCN(C(=O)c4cccc(F)c4)CC3)nc(C(C)C)nc12 28557729 UKTMZQNQFHGHRG-UHFFFAOYSA-N 396.470 2.897 0 40 GFAB Cc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1NC(=O)c1ccco1 3302283 OBEVPRMBEWPBCB-UHFFFAOYSA-N 382.372 2.907 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)o1 29371501 YZVKALCHPWQTLU-RISCZKNCSA-N 376.434 2.555 0 40 GFAB COc1ccc(Cl)cc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 3497677 ZEEFAELPZPZFGU-UHFFFAOYSA-N 376.796 2.531 0 40 GFAB CCOc1ccc2oc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2c1 3412727 RIVHVIHFYJLDHA-STQMWFEESA-N 375.421 2.933 0 40 GFAB Cc1cccc(N2N=C(C(=O)NCCc3ccc4c(c3)OCO4)CCC2=O)c1 12996844 GCQXXLUVURGQJR-UHFFFAOYSA-N 379.416 2.565 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)CCC(C)C)cc1 12982244 YQVJNJFIVRFHMP-MAUKXSAKSA-N 382.526 2.789 0 40 GFAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 113967654 DCYJEXAIEGZZOW-MRXNPFEDSA-N 382.432 2.826 0 40 GFAB CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)CC1 19222738 SJNNJXPDCSGPQC-MRXNPFEDSA-N 388.464 2.931 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc1=O 6232605 XPYCCVAUQDRZDB-KSFYIVLOSA-N 385.460 2.942 0 40 GFAB biogenic COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCc2ccccc2)cc1 5215942 ATEZPHPZYZUUMQ-UHFFFAOYSA-N 389.455 2.957 0 40 GFAB CCn1cc(Br)c(C(=O)N2CCN(c3ccccc3F)CC2)n1 27971351 LTKBGAQCBUKUMT-UHFFFAOYSA-N 381.249 2.767 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 4512741 BLBMKJDLEVWAEC-ZDUSSCGKSA-N 383.404 2.838 0 40 GFAB O=C(COC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1c[nH]c2ccccc12 14202137 COOXSPNTTPGVKL-UHFFFAOYSA-N 398.459 2.703 0 40 GFAB CC(C)(C)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 9690131 OPONHELPMRHJAR-UHFFFAOYSA-N 387.933 2.841 0 40 GFAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007573 ZHOBKZBSADYTRI-KRWDZBQOSA-N 378.469 2.630 0 40 GFAB O=C([C@@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1)N1CCOCC1 7112331 ZGZKXTVIGFAJRO-INIZCTEOSA-N 382.445 2.824 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3s2)ccc1Cl 7161348 JDPOHAIXFISGTE-UHFFFAOYSA-N 382.850 2.954 0 40 GFAB O=C(Nc1c(F)cccc1F)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005031 LHZFQBCXERTOET-CYBMUJFWSA-N 387.452 2.823 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)c(Br)c1 7203238 JYGAIPXZCDXWSU-QMMMGPOBSA-N 382.287 2.831 0 40 GFAB CC(=O)N1CCC(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)CC1 7778066 YHLSSMYCGXPKJP-UHFFFAOYSA-N 393.241 2.696 0 40 GFAB CNc1snc(C)c1C(=O)OCC(=O)N[C@H](C)c1cc(OC)ccc1OC 16553622 IEETYUKYZFCJTB-SNVBAGLBSA-N 393.465 2.545 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)NC(=O)NC(C)(C)C)cc1 8186015 KYEVSICUAQRVMW-UHFFFAOYSA-N 399.447 2.951 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 69921183 XOAJQINNZCOPNK-IRXDYDNUSA-N 376.522 2.628 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nc2ccccc2s1 84579514 RQBFPBGMULWDBS-HNNXBMFYSA-N 383.498 2.827 0 40 GFAB Cn1c(=O)n(C)c2cc(NC(=O)CN3C(=O)c4cccc5cccc3c45)ccc21 408629420 AWZUQVQFSDNIFQ-UHFFFAOYSA-N 386.411 2.629 0 40 GFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCn2cncc2C1 95972715 LOOKIWLOTCFQRG-GFCCVEGCSA-N 394.397 2.740 0 40 GFAB COCCn1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 95993161 GQDXULJTZJUCJC-INIZCTEOSA-N 395.467 2.726 0 40 GFAB CNC(=O)[C@H](NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccccc1 89391680 JCWKDZCOHZYHII-QGZVFWFLSA-N 395.440 2.756 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)cc1 408975417 JWLMDHPUVUSFQC-UHFFFAOYSA-N 388.383 2.928 0 40 GFAB O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 306139433 SXARQAAFSMUKRO-UHFFFAOYSA-N 397.498 2.928 0 40 GFAB Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cc(C2CC2)nc2c1cnn2C 36616905 HOQYIWFVOKHJEU-UHFFFAOYSA-N 392.385 2.799 0 40 GFAB COC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1C 39010447 AJZNFBFZEGHAHX-HNNXBMFYSA-N 394.468 2.954 0 40 GFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(F)c(F)c1F 32718942 WFLSFFWJVIVOIX-UHFFFAOYSA-N 383.395 2.562 0 40 GFAB CCOC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(CO)cc(=O)c1O 71284488 UTFZJOKKOLWKHH-CYBMUJFWSA-N 384.331 2.524 0 40 GFAB CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(Br)cc1 39985196 HOOLIFCORFBNNK-UHFFFAOYSA-N 391.331 2.622 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NC1CCCCC1 217631328 CCGUOCAAGFICIR-CQSZACIVSA-N 382.482 2.587 0 40 GFAB CCc1ccc([C@@H]2CNCCN2C(=O)c2csc(S(C)(=O)=O)c2)cc1 562977719 LLSPYDYBYQBULY-INIZCTEOSA-N 378.519 2.501 0 40 GFAB COc1cccc(CN2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)c1 72390900 MJGFBIDKKDAPTQ-SFHVURJKSA-N 380.492 2.769 0 40 GFAB Cc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)c1C 49008166 HJLCUNOZPGKRQQ-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1C 224166407 KUHOGVMZVXQLJM-UHFFFAOYSA-N 390.509 2.571 0 40 GFAB Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCCC2)n1 49410905 BWPFDBKRNIMJHG-UHFFFAOYSA-N 391.269 2.553 0 40 GFAB Cc1ccc(CN(C)C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 225405457 NDGDUHSFOZHWEZ-UHFFFAOYSA-N 378.469 2.554 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 48314220 FTMKCZCYDWQVBK-QGZVFWFLSA-N 392.477 2.572 0 40 GFAB CC(C)C(=O)N1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 225426775 RVCCWTWMZYOIAJ-UHFFFAOYSA-N 388.537 2.636 0 40 GFAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)CCc2ncc(-c3cccc(OC)c3)o2)CC1 224849495 UWWIVPHTRPMTCY-UHFFFAOYSA-N 387.436 2.584 0 40 GFAB Cc1ccc(N2CCN(C(=O)CCc3nc(-c4ccsc4)no3)CC2=O)cc1 585082274 VGFOKCCJBJBIFO-UHFFFAOYSA-N 396.472 2.915 0 40 GFAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 236919831 KJPMRWCWYFWKOU-CQSZACIVSA-N 386.370 2.648 0 40 GFAB O=C(c1c(F)cccc1Cl)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618256587 UOZRKLITJVXDBK-UHFFFAOYSA-N 379.819 2.510 0 40 GFAB C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCc1ccc2ccccc2n1 579849442 XHUQVOZRNFKZBT-KRWDZBQOSA-N 382.508 2.672 0 40 GFAB Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1cccc(Br)c1)CS2 90609562 OVOWXCPYNLNXTH-JTQLQIEISA-N 380.267 2.675 0 40 GFAB COc1ccc2cc(NC(=O)[C@H](C)n3nnc4ccccc4c3=O)cnc2c1 95480524 RTNDLGUOHHSRQA-LBPRGKRZSA-N 375.388 2.548 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242592329 OPRHAAALUFSPQH-SCTDSRPQSA-N 393.892 2.849 0 40 GFAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)COc1ccc(F)cc1F 257292013 QJPREUQWAASKDU-XBQLCILLSA-N 378.419 2.734 0 40 GFAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(C(=O)CCN3CCCCC3)C2)n1 257268991 MOCRTALJEIBDIF-QGZVFWFLSA-N 382.512 2.757 0 40 GFAB O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCN[C@H](Cc2ccc(F)cc2)C1 1630801462 GPZUHWVTWGQANG-GOSISDBHSA-N 382.414 2.807 0 40 GFAB O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(F)c(Cl)c1 96098820 LXYKRYRNSMXULS-UHFFFAOYSA-N 380.832 2.716 0 40 GFAB COc1cc2c(cc1F)CC[C@H]2NC(=O)Cn1c(C)nc2ccccc2c1=O 512330210 JLWYNRQNBXLZSK-GOSISDBHSA-N 381.407 2.656 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2cccc(I)c2)CC1 5592140 QFDOPXVBAHPGLS-UHFFFAOYSA-N 387.217 2.707 0 40 GFAB O=C(CSc1nc(=O)cc(-c2ccccc2)[nH]1)Nc1ccc(C(=O)O)cc1 5928784 GZEDYOMCLIIYMQ-UHFFFAOYSA-N 381.413 2.866 0 40 GFAB C[C@H](C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)n1nnc2ccccc21 12184645 STYCGMWHOXAPRG-CQSZACIVSA-N 391.431 2.764 0 40 GFAB CC[C@@H](C(=O)NCCCOC(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714728 CUFPFBGHKXFODW-INIZCTEOSA-N 390.933 2.816 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 16248464 NLFTVLRBCIGRRD-UHFFFAOYSA-N 384.807 2.969 0 40 GFAB O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19014791 MIKYVXCBNWPGCD-IBGZPJMESA-N 384.524 2.782 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)c4ccc(C)s4)C3)ncc2C1 19216906 WTSHTBPXTGJAJA-OAHLLOKOSA-N 384.505 2.771 0 40 GFAB Cc1ccccc1-c1cccc(C[C@@H]2CN(C(=O)[C@H]3CCCO3)CCNC2=O)c1 19237456 WXMIDVCARZNZLN-IFMALSPDSA-N 392.499 2.958 0 40 GFAB Cc1cc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)ccc1N1CCOCC1 648896900 AQLGFWARVBAFCB-IBGZPJMESA-N 395.507 2.605 0 40 GFAB COC(=O)[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2O1 9739907 YJFAJHQSJSUWEW-MRXNPFEDSA-N 392.358 2.667 0 40 GFAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)n1 257222392 DTCQEIILMIXCIZ-INIZCTEOSA-N 386.843 2.962 0 40 GFAB Cc1cc2c(N3CCN(c4ncnc(-c5ccccc5)c4F)CC3)nccn2n1 1888918217 XGSUABCCHWENGJ-UHFFFAOYSA-N 389.438 2.960 0 40 GFAB Cc1nc(C(=O)NCc2nn(C)c3sc(C(=O)NCC(C)C)cc23)cs1 1565553215 ONMJKXHUNFCEGT-UHFFFAOYSA-N 391.522 2.716 0 40 GFAB Cc1c(Cl)cccc1C(=O)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 1565555102 RREBPXBPARFWBK-OXQOHEQNSA-N 392.927 2.990 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1cc(C)on1)C(F)(F)F 4336764 MRHIQZBVMPXNCZ-INIZCTEOSA-N 385.342 2.955 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)NC3CCCCCC3)CC2=O)cc1OC 5202069 YQTQGISMIZGLPA-HNNXBMFYSA-N 375.469 2.831 0 40 GFAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 10233718 GDPUQNLUKVXSSH-CQSZACIVSA-N 393.491 2.980 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)c1 16848184 BAOMBUXJUBMCPY-UHFFFAOYSA-N 383.379 2.700 0 40 GFAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)NC1CCCC1 22767890 ABNGTFYSHQISLY-UHFFFAOYSA-N 377.448 2.518 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CC(COc2cccnc2)C1 1775972109 BDZVZXHNXZOPHT-UHFFFAOYSA-N 383.267 2.544 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2nc3ccccc3[nH]2)CC1 38556452 QJKSQCVSAPOPEE-UHFFFAOYSA-N 396.516 2.953 0 40 GFAB CCn1cc(-c2noc(CNS(=O)(=O)c3cccc4ccccc34)n2)cn1 575616743 MKDPMRCDKXQWLD-UHFFFAOYSA-N 383.433 2.585 0 40 GFAB C[C@H](NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148174 QHWXFNGLTDYWPM-KXBFYZLASA-N 378.428 2.974 0 40 GFAB CCS(=O)(=O)c1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 8479221 SAOHZZCMDSMAGP-CYBMUJFWSA-N 381.454 2.672 0 40 GFAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)nn12 32091117 BELGBESGJBPCHP-HNNXBMFYSA-N 384.871 2.619 0 40 GFAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCN(C)C)cc3)n2)cc1 32579013 MDWPFHNIXDNZSE-UHFFFAOYSA-N 380.448 2.769 0 40 GFAB COCCn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)nc(C)c1C 32894002 DMLMCAKTBWUIDR-ZDUSSCGKSA-N 391.493 2.845 0 40 GFAB CCOc1cc2c(cc1COC(=O)Cc1n[nH]c(=O)c3ccccc13)O[C@H](C)C2 32848659 YOPMWIJFPFVASW-CYBMUJFWSA-N 394.427 2.931 0 40 GFAB NC(=O)c1c(NC(=O)CN(C(=O)C2CC2)C2CCCC2)sc2c1CCCC2 1368318 DLRWDPLAVCQMMO-UHFFFAOYSA-N 389.521 2.846 0 40 GFAB NC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)cc1 2793533 GBQUAUCLIDLHBV-UHFFFAOYSA-N 375.363 2.887 0 40 GFAB CCOc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1 4965367 ZWXZFCRRFQRJPF-UHFFFAOYSA-N 392.463 2.916 0 40 GFAB N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)cc1)C(=O)O 6092925 RUIUIJSMLKJUDC-ZDUSSCGKSA-N 399.184 2.744 0 40 GFAB in-vitro CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 6728931 WSZACSIYGNVHQB-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)NC1CC1 22568251 BCJCQTHSRWCCNV-OAHLLOKOSA-N 385.537 2.681 0 40 GFAB O=C(NCc1ccccn1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 8289968 UBSZEIUYEGFBES-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB CCN(CC)CCNC(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C 22704626 SJDKYIPFOODEMH-UHFFFAOYSA-N 398.532 2.955 0 40 GFAB c1ccc(-n2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cn2)cc1 22846438 MNRDVOSGTLDMML-UHFFFAOYSA-N 376.460 2.919 0 40 GFAB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810631 OEGLZSKQXZOGAM-UHFFFAOYSA-N 384.404 2.532 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CC(c2ccccc2Cl)=NO1 1035598 IWHIITSNGOHTAG-NSHDSACASA-N 376.821 2.678 0 40 GFAB CCc1nc2ccccc2n1CC(=O)NCc1ccccc1CN1CCOCC1 23956207 IHVVVTQZPNUCML-UHFFFAOYSA-N 392.503 2.747 0 40 GFAB O=S(=O)(c1ccccc1F)N1CCN(Cc2cccc3cccnc23)CC1 24259458 VKDUAKDEWIPXPN-UHFFFAOYSA-N 385.464 2.880 0 40 GFAB C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2 54910498 PBOAUSMBLVJOQS-NSHDSACASA-N 376.359 2.691 0 40 GFAB COc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1OC 24634215 NRVLKFDQQDJMDP-IBGZPJMESA-N 384.476 2.816 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCn1c(C)csc1=O 24969117 OZDVWOBZTAJTDW-UHFFFAOYSA-N 384.505 2.786 0 40 GFAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccc(=O)[nH]n1 55762381 YMRBXWYGDPPCGN-UHFFFAOYSA-N 382.247 2.555 0 40 GFAB CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCO3)CC1 56341601 PTVAGUKADKNKHL-UHFFFAOYSA-N 375.469 2.642 0 40 GFAB CCOc1cc(Br)c(COC(=O)c2nccnc2N)cc1OCC 26355891 XZLDBCCXHCVALE-UHFFFAOYSA-N 396.241 2.976 0 40 GFAB Cc1c(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)oc2ccccc12 35351259 SNHDIYPJVURUEI-UHFFFAOYSA-N 383.492 2.902 0 40 GFAB Cc1c(C(=O)OCCN2C(=O)c3ccccc3C2=O)cnn1-c1ccccc1F 26483322 IRIQLRDBTJIMOF-UHFFFAOYSA-N 393.374 2.773 0 40 GFAB O=C(c1cscn1)N1C[C@@H]2CN(C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 107249492 DZGUPYCGOPTRNK-YLJYHZDGSA-N 382.533 2.564 0 40 GFAB Cc1ccc(-n2ncc(C(=O)N(C)CC(=O)N3CCCC3)c2C(F)(F)F)cc1 44868198 DUABDOAPPBXAIT-UHFFFAOYSA-N 394.397 2.894 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2NS(C)(=O)=O)c1 57997634 LQYWWUNRRUNCPO-GFCCVEGCSA-N 378.450 2.566 0 40 GFAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 48290696 XXDATOACHIBTRG-KRWDZBQOSA-N 384.549 2.772 0 40 GFAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc21 36393826 SRFIPAFOTHIDIU-UHFFFAOYSA-N 393.443 2.772 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc1 3365636 VUXRIJLQAQEPCV-UHFFFAOYSA-N 399.516 2.665 0 40 GFAB COc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 28874985 XPGKQCZIEZUZOL-INIZCTEOSA-N 398.459 2.742 0 40 GFAB C[C@H](NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1 28904291 TYVMPVNSDMJOII-HNNXBMFYSA-N 378.469 2.697 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 12768889 ZPBOBXLEFOVQIJ-INIZCTEOSA-N 384.407 2.642 0 40 GFAB COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 12787343 QLZZEVOWQFHOPB-QLFBSQMISA-N 394.537 2.890 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(OC)c1 12882734 LFZJJAULMICVSR-UHFFFAOYSA-N 393.443 2.632 0 40 GFAB CC(C)Cc1noc(CSc2nnc(-c3cccs3)n2CCC(N)=O)n1 12820959 USRMUUBZJYHWCZ-UHFFFAOYSA-N 392.510 2.756 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ncsc3=S)CC2)cc1 12819370 ZFOJQDCNJXALPG-UHFFFAOYSA-N 398.579 2.761 0 40 GFAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(=O)n(C)n1 3407634 ZYVJNQTZSPICLI-UHFFFAOYSA-N 387.827 2.535 0 40 GFAB CC[C@H](C)N(C(=O)CSc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 3435291 IOWHIZXDEYANGE-BBRMVZONSA-N 398.550 2.551 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 12928474 MNXCNDNHSDCBCZ-UHFFFAOYSA-N 395.308 2.546 0 40 GFAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H](c2ccccc2)N(C)C)c1 12995626 GBIMILIITBQWIG-GOSISDBHSA-N 395.532 2.961 0 40 GFAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)Cc1ccccc1C(=O)O 70666261 WKFDHQGKOFCKOR-UHFFFAOYSA-N 382.372 2.843 0 40 GFAB biogenic Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3cccs3)ccc21 13693736 JNIQAXPLEFXKQF-INIZCTEOSA-N 398.488 2.725 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)c2ccc(Cl)cc2)cc1 6206772 XTDQECFTTRCZGZ-UHFFFAOYSA-N 381.837 2.678 0 40 GFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1nc2ccsc2c(=O)[nH]1 5263242 GCANEARDNHTWAC-UHFFFAOYSA-N 377.447 2.978 0 40 GFAB Cc1cc(NC(=O)[C@H](Oc2ccc(-n3cnnn3)cc2)c2ccccc2)no1 14197875 GVJHQJWKWUXUTC-GOSISDBHSA-N 376.376 2.718 0 40 GFAB C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(S(C)(=O)=O)cc1 14123064 BOTOIBZVYRMFEJ-APPDUMDISA-N 379.865 2.924 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4)cc2C1=O 65623758 BZNAFVXZIWTWGZ-UHFFFAOYSA-N 377.400 2.578 0 40 GFAB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccccc2C(F)(F)F)c1 14245480 HQDVLQGPLZVETN-UHFFFAOYSA-N 377.315 2.849 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)ccc1F 6587759 PVLJKBAZZDBSNE-IBGZPJMESA-N 387.798 2.811 0 40 GFAB CC(C)(C)NC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 14314235 UYGJBKUADOIGNK-UHFFFAOYSA-N 386.471 2.925 0 40 GFAB COc1ccc2nc(NC(=O)CCn3c(=O)n(C)c4ccccc43)sc2c1 14343142 SIJGSCFVVIHZDI-UHFFFAOYSA-N 382.445 2.987 0 40 GFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2O1 7252939 RMPYHGUUZKRFME-INIZCTEOSA-N 394.258 2.946 0 40 GFAB CCCn1nnnc1CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 7256933 KLDGOSZDWHVTTI-UHFFFAOYSA-N 384.513 2.865 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)N(C)C)S(=O)(=O)c1ccccc1 22274663 OOAGGIFGFCLVSG-UHFFFAOYSA-N 382.869 2.632 0 40 GFAB O=C1CCCc2nc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)sc21 68002308 GVAVIJDQHSLWPF-HNNXBMFYSA-N 383.473 2.834 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCCc1cccs1 7914738 FUAXOMFNQMVFHT-UHFFFAOYSA-N 395.912 2.639 0 40 GFAB COc1ccc(NC(=O)COc2c(C)cccc2C)cc1S(=O)(=O)N(C)C 7978169 SPBAMHMGUGQGBX-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB COC(=O)CCc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(C)cc2)o1 7960880 YXOBUERCBBSCSN-ZRDIBKRKSA-N 384.432 2.804 0 40 GFAB CN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1Cl 8262370 XPJXGQKCXHWHOO-QGZVFWFLSA-N 384.867 2.620 0 40 GFAB COc1ccc(CCNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)cc1OC 71765016 XLAZXUIEOGBIGI-UHFFFAOYSA-N 380.448 2.874 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(OC(F)(F)F)cc1 84403043 KBVIZTDWWRAXSU-HUUCEWRRSA-N 398.381 2.767 0 40 GFAB CCN(CC)c1ncc(Cl)c(C(=O)Nc2cccc(OCC(=O)O)c2)n1 95425127 ORGPBZAGTJAUQS-UHFFFAOYSA-N 378.816 2.692 0 40 GFAB CC(C)OCCS(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 95993077 MDVJZMQDROARNZ-INIZCTEOSA-N 384.546 2.787 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 95999572 WZFWYVWDKGONTI-SECBINFHSA-N 389.403 2.854 0 40 GFAB CC(C)N1C[C@H](Nc2nc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)CC1=O 89936786 NPGYZSSTAONNLL-OWCLPIDISA-N 383.496 2.665 0 40 GFAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22788429 OJMOSZFVTMGEMY-PBHICJAKSA-N 385.430 2.829 0 40 GFAB C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CS 66331687 YWDBSCORAARPPF-BULBTXNYSA-N 378.534 2.719 0 40 GFAB CC[C@@H](CCNS(=O)(=O)c1cn(CC)nc1C)n1ccc(C(F)(F)F)n1 36614893 ZPVNZHZSXORTGV-LBPRGKRZSA-N 393.435 2.746 0 40 GFAB Cc1ccc(NC(=O)c2ccnc3ccncc23)cc1C(=O)N1CCOCC1 509211413 ZKISWZKRWUBWJG-UHFFFAOYSA-N 376.416 2.663 0 40 GFAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCCc1ccccc1 32752950 JSINAGWUSPBJKZ-UHFFFAOYSA-N 385.489 2.900 0 40 GFAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CC2)CCO1 72389304 KCAQDVHZXIYMKI-HSZRJFAPSA-N 396.462 2.789 0 40 GFAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(Br)o1 70925977 VVAIXHBHOLMBBE-UHFFFAOYSA-N 392.253 2.719 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 44883427 WGTMULJSUNWQSY-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(F)cc1 40158731 OZWYWEUSSJARLL-SFHVURJKSA-N 384.407 2.769 0 40 GFAB C[C@@H](NC(=O)[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@@H]2CC[C@@H]1C2 195570912 ZARGVBGIFOXWHK-DAFBBYGASA-N 390.524 2.909 0 40 GFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)c1 44904042 CIFLRZAHCGVMPJ-UHFFFAOYSA-N 391.445 2.900 0 40 GFAB O=C(O)c1[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)c(=O)c1CN1CCCCC1 222669962 BQXHIULZQXTIPH-UHFFFAOYSA-N 398.246 2.517 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(SCC(=O)OC)s1 223204997 IXWCTBYDSKNMFQ-JTQLQIEISA-N 385.442 2.738 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1ccc2c(c1)OCO2 224117370 BAEFJPROCNOWIV-UHFFFAOYSA-N 396.509 2.658 0 40 GFAB COc1ccc(CN2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)cc1 96244071 XVVYLVXFSBIPGI-QFIPXVFZSA-N 380.492 2.981 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)c2c1 95473381 HJZAQUVPXAERIJ-UHFFFAOYSA-N 392.463 2.889 0 40 GFAB O=C(O)c1nn(-c2ccc(F)cc2)nc1N1CCN(c2ccccc2F)CC1 256046121 CWKRIURDDXXPQB-UHFFFAOYSA-N 385.374 2.570 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 250655660 BFPLSOZROXFXCI-WFASDCNBSA-N 398.381 2.612 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc(C)c1CC(=O)NC(C)C 257250776 JNYSGLGHJDUCBU-GOSISDBHSA-N 395.507 2.575 0 40 GFAB NC(=O)c1sc2ncccc2c1[C@H]1CCCN(C(=O)CN2CCCCC2)C1 257204217 ATOOHGJXDMABLV-AWEZNQCLSA-N 386.521 2.587 0 40 GFAB CC(C)c1ccc(OCC(=O)N2CCCSC[C@@H]2CN2CCOCC2)cc1 90609084 GBVUOWXDZZGNSH-IBGZPJMESA-N 392.565 2.855 0 40 GFAB Cc1cn2nc(N[C@H]3CCN(c4cc(-c5cccnc5)nc(C)n4)C3)ccc2n1 681918465 GUDJLUDNNNSAFA-KRWDZBQOSA-N 386.463 2.889 0 40 GFAB O=C(CSc1ccncc1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390832398 ZGDKHBJUJMQJHJ-HNNXBMFYSA-N 382.532 2.624 0 40 GFAB COCCOc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OC 585262510 HJBIKJFSRFNXRK-SFHVURJKSA-N 381.513 2.862 0 40 GFAB CCc1noc(C)c1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154263 FBBIGFPHBRJCGZ-OAQYLSRUSA-N 383.448 2.584 0 40 GFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 7071035 OKACBVQRBUGLBL-MRACZJACSA-N 380.378 2.678 0 40 GFAB COc1ccc(-c2nc(C)sc2CC(=O)N[C@@H]2CCCOC2)cc1OC 12194525 KWSKGOZCRHKECD-CQSZACIVSA-N 376.478 2.973 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 15421802 ZDORMYZXGZGKAH-UHFFFAOYSA-N 387.461 2.682 0 40 GFAB Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4c(F)cccc4Cl)nc32)c1 15778628 YWCBDPMNXSLOEG-UHFFFAOYSA-N 397.797 2.976 0 40 GFAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 19500330 XKDIQYPPIWPVTJ-QGZVFWFLSA-N 390.528 2.634 0 40 GFAB CCc1nc(-c2cncnc2[C@H]2CCN(CC(=O)Nc3ccccc3F)C2)no1 19693813 CQPVQWRBVBIHGE-ZDUSSCGKSA-N 396.426 2.656 0 40 GFAB Cc1[nH]nc(NC(=O)[C@@H]2CCn3cncc3C2)c1-c1ccc2c(c1)OCCO2 534276416 XNTRQKXAQNUXIX-CQSZACIVSA-N 379.420 2.554 0 40 GFAB O=C1NC[C@@]2(CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)Oc2ccccc21 19376002 AWYYMGPZBDWDFS-HSZRJFAPSA-N 389.455 2.894 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037978024 JRHZLNABFFGSFS-SFHVURJKSA-N 382.382 2.595 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1 2086992607 WBTNXGZUFDAMPJ-UHFFFAOYSA-N 389.374 2.750 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1F 5329124 OVHUPHHPUZZUKX-UHFFFAOYSA-N 398.481 2.647 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342495 ADWKRWJGBVWPEN-UHFFFAOYSA-N 397.862 2.820 0 40 GFAB O=C(c1ccno1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 12443828 XKUPMQBYZSOHQL-UHFFFAOYSA-N 390.440 2.793 0 40 GFAB Cc1cc(C)c2s/c(=N\C(=O)CN3C(=O)c4ccccc4C3=O)n(C)c2c1 100892331 IGPGOWICWCNZKH-MRCUWXFGSA-N 379.441 2.580 0 40 GFAB NC1=Nc2nc3cc4c(cc3n2[C@H](C2=Cc3ccccc3OC2)N1)OCCCO4 8778845 RGAAPBSTQLPEOI-LJQANCHMSA-N 389.415 2.722 0 40 GFAB O=C(COC(=O)/C=C/c1cnc2ccccc2n1)Nc1ccc2c(c1)OCCO2 2663653 GUKXYNQCYKHEMX-SOFGYWHQSA-N 391.383 2.596 0 40 GFAB COc1ccc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)cc1 12004107 UJDKUOJYMRHDSV-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 1324972 VYCALUQCELXDRB-UHFFFAOYSA-N 394.522 2.918 0 40 GFAB CSc1nc(=O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)n1C 102707383 MGZIZKHUNYFCNQ-CQSZACIVSA-N 376.869 2.578 0 40 GFAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2c(Cl)cccc2Cl)n1 2731272 NOOZLSAWAGEZOY-SDSIWUNFSA-N 392.242 2.905 0 40 GFAB CN(C)[C@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 12196311 CDAKVZMQOGDELO-MRXNPFEDSA-N 376.840 2.867 0 40 GFAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)C1=O 53127318 GEZBEDZLAJAGCA-QGZVFWFLSA-N 398.290 2.717 0 40 GFAB OC1(c2ccccc2F)CCN(Cc2nnnn2CCc2ccccc2)CC1 4400185 BNXTWZQKZUZUCJ-UHFFFAOYSA-N 381.455 2.539 0 40 GFAB Cc1noc(C(C)C)c1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccn1C 22282592 BHNKYJXAPRLXSM-SFHVURJKSA-N 396.447 2.903 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccn1 47012385 RDVDFFLQDPEGRV-INIZCTEOSA-N 385.468 2.591 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 6679087 KRWBXQXMLSMNQU-UHFFFAOYSA-N 381.816 2.676 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 7070807 UVBDAPLEAUFQNK-CQSZACIVSA-N 392.477 2.790 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(NC3CCCCC3)s2)CC1 23174826 VCUBVWBVOIHUJG-ZDUSSCGKSA-N 383.587 2.927 0 40 GFAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NC(C)(C)C)C3=O)ccc2c1 8744781 ZVJPRVNKLACAPT-OAQYLSRUSA-N 383.448 2.530 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CN2CCCc3cc(F)c(F)cc32)cc1 26344680 HRFZAOALLCWVKE-UHFFFAOYSA-N 380.416 2.760 0 40 GFAB COc1ccc(CC(=O)NO[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1OC 72281167 RQRWEMLDODIJIC-AWEZNQCLSA-N 398.459 2.810 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(F)c2)c1 22229772 IWZIUMKCPXXSNK-KRWDZBQOSA-N 392.452 2.935 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl 57750227 CMRLVIALOCZMGO-HNNXBMFYSA-N 382.869 2.650 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCc1c[nH]c2ccccc12 27065637 MJTRWOSTKQZLOV-LNLFQRSKSA-N 386.521 2.552 0 40 GFAB biogenic O=C(CN1CCC(NC(=O)c2cccs2)CC1)Nc1cc(F)ccc1F 58180912 NUFILPCLJMUBLE-UHFFFAOYSA-N 379.432 2.859 0 40 GFAB CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12768162 AXGOPJNAQZNEDH-UHFFFAOYSA-N 376.453 2.810 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)C1CCCCC1)n2CCC 10627552 AEGAYCVLVHUBCB-UHFFFAOYSA-N 390.484 2.720 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 2384377 SPFQBIRNJAKMKP-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB C[C@@H](C(=O)N1CCCCCC1)n1cnc2c(cnn2-c2ccc(F)cc2)c1=O 12747885 WUACISXRDZAZQS-AWEZNQCLSA-N 383.427 2.685 0 40 GFAB CCOC(=O)Cn1c(C)nc2c(c1=O)[C@@H](CC)c1c(c3ccccc3oc1=O)O2 36646023 KKSDUWDIZSYFGE-LBPRGKRZSA-N 396.399 2.869 0 40 GFAB COCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2417636 NPLMDAHZTABXQO-UHFFFAOYSA-N 388.474 2.707 0 40 GFAB Cc1c(C)c(C)c(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)c(C)c1C 12883866 ZEFFGNCWDLPJTI-UHFFFAOYSA-N 396.491 2.524 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)sc(C(=O)NC)c1C 13056161 QFSHMGUSTBSRIY-VXGBXAGGSA-N 395.525 2.509 0 40 GFAB CCc1cccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 13005265 LRMYKOYIIWSSMG-SFHVURJKSA-N 385.489 2.951 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CS[C@H]3c4ccccc4C(=O)N32)cc1OC 4081593 JIBFKRAHUJVIAB-KKSFZXQISA-N 398.484 2.633 0 40 GFAB biogenic CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O 64987566 RUTZATRBUHTNMO-UHFFFAOYSA-N 382.395 2.547 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 5135047 ILYLCLQEFKBMBW-UHFFFAOYSA-N 377.418 2.600 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)c2cccs2)cc1S(=O)(=O)NC1CC1 9646417 WVCHPWCSMXORHV-NSHDSACASA-N 380.491 2.688 0 40 GFAB COc1cc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)cc(OC)c1O 4519951 YHDHQIFQCZLMHJ-AWEZNQCLSA-N 381.384 2.741 0 40 GFAB CC(C)(C)C(=O)NCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14251184 DOLMNVLTHGQXCD-UHFFFAOYSA-N 375.450 2.682 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 9154501 ADHXXHQQEQKKHA-AWEZNQCLSA-N 378.494 2.563 0 40 GFAB Cc1cccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 22509344 TWFBEDLJRBCOPG-UHFFFAOYSA-N 389.521 2.541 0 40 GFAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C(=O)O)c(O)c1 20152576 PULQYUCZZSNAID-UHFFFAOYSA-N 380.809 2.879 0 40 GFAB COc1ccccc1-n1c(SCC(=O)NC(C)C)nnc1N1CCCCC1 6994105 MAJAZELWGOHVPL-UHFFFAOYSA-N 389.525 2.883 0 40 GFAB COC(=O)c1cc(COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)oc1C 7796896 BSHNWBQMRKKLCF-UHFFFAOYSA-N 388.420 2.939 0 40 GFAB CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2 83984702 FMQABXWLYJXHJZ-UHFFFAOYSA-N 390.436 2.897 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)COc2cccc(Cl)c2)c1 9445554 DWVFLZAXKWUIQU-UHFFFAOYSA-N 379.796 2.918 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCc2cccs2)C(C)C)cc1 17909523 QTBCYNGVLBMTCW-KRWDZBQOSA-N 380.535 2.718 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 18029907 RPORGJFGEQPYFQ-KRWDZBQOSA-N 389.415 2.978 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4cccc(F)c4)C[C@H]2S3(=O)=O)cn1 306127200 FRLDURIMZUNAAW-PZJWPPBQSA-N 397.475 2.982 0 40 GFAB Cc1cc(C[C@@H](C)NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n[nH]1 89599202 GRDFTTXMQMHMEZ-LLVKDONJSA-N 399.520 2.885 0 40 GFAB COc1ccccc1CSc1nnc(Nc2ccc(C(C)=O)cc2)c(=O)n1N 28536448 QMZADDITWMPPNI-UHFFFAOYSA-N 397.460 2.599 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccccc1 22326344 VJSHTVRXGRKFMC-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 32714747 SSNXBKAFCQKDKF-UHFFFAOYSA-N 375.446 2.675 0 40 GFAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408614769 HPFYXLLEOGMWGK-ZDUSSCGKSA-N 385.851 3.000 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C2CC2)[C@H](C)C2CC2)cc1 31654037 GTZAZBOPPKQQDF-OAHLLOKOSA-N 393.553 2.919 0 40 GFAB Nc1ncnc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ccc12 72374624 IIIQXAVXJLCESM-INIZCTEOSA-N 387.440 2.662 0 40 GFAB CCN1CCN(c2ncc3c(=O)n(Cc4ccccc4Cl)ccc3n2)CC1 39404015 INJFSCLXEBHWBH-UHFFFAOYSA-N 383.883 2.635 0 40 GFAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 562602617 RNPHCGVUHRRLAT-XJKSGUPXSA-N 386.481 2.924 0 40 GFAB CC(C)CCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)O)c1 217654727 BGOCSMHQZUYEHV-UHFFFAOYSA-N 386.514 2.936 0 40 GFAB CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225095016 LIMJGZXAKBZPNZ-UHFFFAOYSA-N 381.425 2.901 0 40 GFAB COc1ccc(N(CCCC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 222604787 KPJFHWNRRQGYCT-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 41085528 LNUIPDFPILPYLP-UHFFFAOYSA-N 392.462 2.594 0 40 GFAB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 223613012 VTHYBDPEPFJISO-GFCCVEGCSA-N 388.474 2.830 0 40 GFAB CCOC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)cc1 224866567 BEGPCVZFEHZDLS-UHFFFAOYSA-N 385.388 2.732 0 40 GFAB COc1cccc(CC(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)c1 96254667 KEZFCPCCNDYOMY-UHFFFAOYSA-N 380.492 2.564 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(C(F)(F)F)c1 96121417 YYLOONBFYWIABS-UHFFFAOYSA-N 395.385 2.650 0 40 GFAB O=C(Cn1ccc2c(Br)cccc21)NCc1nnc2ccccn12 95477150 SRVZARQWWXDUFR-UHFFFAOYSA-N 384.237 2.763 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)c1F 253472131 JSBLCFOJFSDCLV-YVZNUBBCSA-N 385.395 2.600 0 40 GFAB Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)c4ccn(C)n4)C3)cn2)n1C 257289991 QBAHPSWQFQCXIK-QGZVFWFLSA-N 378.480 2.619 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1 260790433 AWMGQOXRZYMYOZ-OBJOEFQTSA-N 392.506 2.566 0 40 GFAB CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cnc4c(c3)CNC4=O)n[nH]2)c1C 1606919484 KACSGWAWSQWRDC-JTQLQIEISA-N 393.451 2.752 0 40 GFAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cnc(O)c2ccccc12 1634707768 CBBOKRAVHJVWGR-SNVBAGLBSA-N 391.353 2.587 0 40 GFAB FC(F)(F)c1nnc(N2CCCN(Cc3cc4n(n3)CCCC4)CC2)s1 649591859 MJQRFOJXIINFAD-UHFFFAOYSA-N 386.447 2.802 0 40 GFAB COc1ccc(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)c(OC)c1OC 96096461 RRHOLUPWRQPQND-KRWDZBQOSA-N 384.432 2.668 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)[C@H](c2ccccc2)C1 55221567 KIABDLIGCTZPGT-FQEVSTJZSA-N 399.516 2.639 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nnc(C)[nH]2)sc(C(C)=O)c1C 11658965 XMBGAVALAOXVHJ-UHFFFAOYSA-N 382.467 2.593 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccc(F)cc1Cl 13960265 JROCTOCCUYECGG-FSDCSDTHSA-N 389.814 2.699 0 40 GFAB CCc1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 14397058 QEAYVPXOKZTZIG-UHFFFAOYSA-N 376.478 2.658 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)CCc3ccccc3O)CC2)c1C 15513312 DKCKCPVNJTYHKV-UHFFFAOYSA-N 395.503 2.725 0 40 GFAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C)CC4)C2)cc1 19135915 SCTPXFWAHVPNQQ-AEFFLSMTSA-N 394.519 2.576 0 40 GFAB CCCC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19501492 JNMRBMKPMZMJQJ-QHCPKHFHSA-N 395.503 2.777 0 40 GFAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccnn2C)CC1 19530756 NVSHGJOMODXZMM-UHFFFAOYSA-N 376.844 2.665 0 40 GFAB COc1ccc(CN2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1OC 19588676 WXQCPDGJSUVQJL-KRWDZBQOSA-N 382.508 2.861 0 40 GFAB CNc1cc(C2CCNCC2)nc(CN(C)C(=O)c2cccc3ncccc23)n1 19710060 NVJAKXFCQRRDNX-UHFFFAOYSA-N 390.491 2.806 0 40 GFAB Cc1cc(C)nc(N2CCC(CC(=O)N[C@@H](c3nccn3C)C3CC3)CC2)n1 19748759 BLDFXGKTZXVNPH-LJQANCHMSA-N 382.512 2.701 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)cc1 12219552 IIETZIKHGYQFAR-UHFFFAOYSA-N 377.448 2.829 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4sccc4C)C[C@H]32)c(OC)n1 253599932 YHLICBBCJHVUCT-YYFZDKIDSA-N 389.521 2.983 0 40 GFAB Fc1cnc(OC[C@]23CCC[C@@H]2CN(Cc2nnc(C(F)(F)F)o2)C3)nc1 1888866997 SQUJJXVYJVLQCI-MEBBXXQBSA-N 387.337 2.699 0 40 GFAB CCn1ccnc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037989027 RUBGDSGJZVKOOO-OAQYLSRUSA-N 386.471 2.830 0 40 GFAB c1cc2c(N3CCC(COc4cc5c(nn4)CCCC5)CC3)ncnc2cn1 1565523727 YULWECWZFPPFDU-UHFFFAOYSA-N 376.464 2.989 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)N3CCc4ccccc4C3)CC2=O)cc1OC 4374567 LXSKOWDZTYZYCM-QGZVFWFLSA-N 395.459 2.577 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(C3CCCCC3)n2N)c1 4854971 CXOXZNKRZKNLPK-UHFFFAOYSA-N 391.497 2.788 0 40 GFAB CCOCCCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304904 QYTGPSMDAMQDCN-UHFFFAOYSA-N 383.423 2.740 0 40 GFAB CCOc1ccc(C(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1 11697339 JSJFDGGAMOXEED-UHFFFAOYSA-N 378.436 2.856 0 40 GFAB CCC(CC)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 12072072 QVVREGVDWNETAB-UHFFFAOYSA-N 381.480 2.502 0 40 GFAB CN1CCN([C@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577425 KLACMLBEQTVDBV-CQSZACIVSA-N 385.449 2.686 0 40 GFAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(n2ccnn2)CC1 206941678 VQXORIHWKPTQQM-UHFFFAOYSA-N 394.806 2.976 0 40 GFAB C[C@@H](C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1)c1ccccc1 575414181 IXKZZWPFWLKWJA-MRXNPFEDSA-N 399.516 2.982 0 40 GFAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(OC)c(OC)c(OC)c2)N1 36025424 COBLTLPBNAVOBY-APWZRJJASA-N 396.443 2.970 0 40 GFAB biogenic CCS(=O)(=O)c1ccc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1 40145674 AEDSBJVXJACPJG-MRXNPFEDSA-N 378.498 2.913 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(F)ccc1-n1cnnn1 20738070 WQHQZMXSWIFOJF-UHFFFAOYSA-N 394.410 2.680 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 32753003 KKYYTWMCXJTEPC-UHFFFAOYSA-N 386.415 2.891 0 40 GFAB C[C@@H](OC(=O)CCNC(=O)c1ccco1)C(=O)N[C@@H]1CCCc2ccccc21 21747162 GIDITEYCFNRYDT-RHSMWYFYSA-N 384.432 2.525 0 40 GFAB O=C(NOCc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 32986342 GRBSGVZPHPNYOQ-UHFFFAOYSA-N 387.395 2.739 0 40 GFAB CC(C)(C)c1cn2nc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)sc2n1 46484046 MYHFLLAXHAPCLV-SECBINFHSA-N 375.420 2.736 0 40 GFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1F 8724699 LIVAPUMEJJSUBM-UHFFFAOYSA-N 397.378 2.637 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)C2CCCCC2)cc1 780663 SFTORBZLLCWFMY-SFHVURJKSA-N 394.537 2.614 0 40 GFAB CCC(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 78413820 BEZMYLMYQVZWJI-QGZVFWFLSA-N 382.526 2.637 0 40 GFAB Cc1ccc2c(O)c(C(=O)NC[C@H](CO)Cc3cc(F)ccc3F)cnc2n1 78994412 APPIOUDKDVEENM-GFCCVEGCSA-N 387.386 2.503 0 40 GFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)NC[C@H](C)c3ccccc3)ccc21 21867654 OEQYWOGAXHPKAK-LSDHHAIUSA-N 380.448 2.916 0 40 GFAB COc1ccc([C@H](CNC(=O)CCc2nc3ncccc3[nH]2)N2CCCC2)cc1 79495477 YLODQDPQLWCIFH-IBGZPJMESA-N 393.491 2.852 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccccc2F)c(=O)[nH]c1=O 7007455 BYWUSIDPHXAVRQ-UHFFFAOYSA-N 390.459 2.751 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1sccc1C 7886273 GZYOOTXOLRFIKT-UHFFFAOYSA-N 379.434 2.556 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)NCC2(c3ccccc3)CCCC2)cc1 12101305 WSXPFUIDACFPRG-UHFFFAOYSA-N 386.517 2.895 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc(Cl)c1Cl 10425881 PYIHNQQNOGAAHX-UHFFFAOYSA-N 384.263 2.978 0 40 GFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 8059175 SEVACLVGSIBVDN-GFCCVEGCSA-N 381.450 2.761 0 40 GFAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccccn2)C3)c(OCC)n1 100149673 ZRQLLEXZCAPFMM-IRXDYDNUSA-N 398.507 2.789 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 23078888 FKBQIFSORLMPED-UHFFFAOYSA-N 383.429 2.865 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 23108598 AEUGTFHSXHKQOO-SFHVURJKSA-N 376.453 2.637 0 40 GFAB C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2 57672849 AUEFQDYMMTXNQK-GFCCVEGCSA-N 390.386 2.733 0 40 GFAB CSc1ncc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1-c1ccccc1 23762057 HKEBYLZFTINVOE-KRWDZBQOSA-N 386.521 2.531 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nnc(Cc2ccccc2)s1 61721812 PIAHOUFLUNILAM-UHFFFAOYSA-N 395.488 2.593 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c(c1=O)SCC2 9560264 FSEQXMCFQDUYMS-UHFFFAOYSA-N 383.445 2.920 0 40 GFAB COc1ccc(CN(C(=O)[C@H](C)NC(=O)COc2ccccc2)C2CC2)cc1 23925370 IFCPSWFMMJAVHF-INIZCTEOSA-N 382.460 2.770 0 40 GFAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN1CCCCC1 24182422 NPHIZTQAZOZHEX-UHFFFAOYSA-N 387.553 2.822 0 40 GFAB O=C(CCn1cccn1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 24462112 AWXNCSBOQGTTRC-UHFFFAOYSA-N 387.443 2.739 0 40 GFAB O=C(NCc1cccc(Cn2cncn2)c1)[C@H]1CCCN1Cc1ccccc1 57174845 JCTZQMPIPOTWFS-OAQYLSRUSA-N 375.476 2.607 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cccs1)C[C@@H]1CCCO1 26358568 ZLZUHAZBHKDYFM-AWEZNQCLSA-N 395.502 2.889 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 20489201 XEBNQZNIWSLYLY-CYBMUJFWSA-N 392.477 2.956 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 100738291 IFABXGHSNJZFHP-OALUTQOASA-N 383.467 2.818 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1C[C@H]2CCC[C@H](C1)C2(O)c1cccnc1F 100769482 QDGMJJVVOBVCDB-ZIAGYGMSSA-N 394.443 2.668 0 40 GFAB CCCCN(Cc1c(C)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12789120 OIAHHNPIPHANCS-UHFFFAOYSA-N 397.479 2.579 0 40 GFAB CCN(CC)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 2326282 WLLCJQTTWZNJNR-GFCCVEGCSA-N 386.525 2.535 0 40 GFAB O=C(O)[C@H]1C[C@@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 2571196 PXOSMUYMWYOVPI-QWRGUYRKSA-N 391.777 2.513 0 40 GFAB COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 3491677 ZITZACCRUGQFFI-MJBXVCDLSA-N 399.329 2.914 0 40 GFAB Cc1ccc(-c2noc(CN(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)n2)cc1 12976888 NVTQEARSMUROTB-MRXNPFEDSA-N 387.461 2.827 0 40 GFAB CNC(=O)c1ccc(CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 12980654 ZIGIEIPHCOGRJK-UHFFFAOYSA-N 392.459 2.720 0 40 GFAB O=C(NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1Br 12911540 AYHLDERSZMNPIG-SNVBAGLBSA-N 393.203 2.980 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Cl)c1Cl 18179213 GECCKMOXTQEGGM-CYBMUJFWSA-N 375.277 2.976 0 40 GFAB Cc1c(NS(=O)(=O)c2cc(N)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3885642 SOJYHCHZCRXCBQ-UHFFFAOYSA-N 392.868 2.521 0 40 GFAB C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cn1 5053637 FGPMUUURYRZYRB-VIFPVBQESA-N 376.829 2.536 0 40 GFAB CCCn1nc(C)c2c(-c3nnc(S)n3C)cc(-c3cnn(C)c3C)nc21 8782678 XONIDGPKKIXEJM-UHFFFAOYSA-N 382.497 2.943 0 40 GFAB CCCCn1c(C)cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 4250988 MYNUFEUZJOZJFU-FMIVXFBMSA-N 391.475 2.971 0 40 GFAB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc(N2CCCC2=O)cc1 8777505 QQDINDUGCLRRBP-UHFFFAOYSA-N 394.460 2.724 0 40 GFAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CCC)CC2)cc1 20974705 FSTKBKLQLAALSU-UHFFFAOYSA-N 376.526 2.748 0 40 GFAB COC(=O)Cn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 8845027 SWPBUGNYOGARDB-AWEZNQCLSA-N 379.416 2.738 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 7016239 HBTNOMAXCLCVPA-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB CCCNC(=O)[C@@H]1CN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc2O1 8395719 ICSOMRSWJLUXHS-KRWDZBQOSA-N 383.448 2.768 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C 17078233 PUMKHFOSJNPHHR-UHFFFAOYSA-N 382.917 2.684 0 40 GFAB COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc(OC)c1O 17045231 COHCIZCZJLYJAJ-CYBMUJFWSA-N 393.399 2.634 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 9645988 KRINJZTUCWDOEN-CQSZACIVSA-N 389.463 2.737 0 40 GFAB COc1cccc(NC(=O)Cn2nc(Br)c(=O)c3ccccc32)c1 83973650 LFGXTKKZHAKQCW-UHFFFAOYSA-N 388.221 2.806 0 40 GFAB O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@@H]1CC(=O)N(CC2CC2)C1 95957429 HCGCTCLGVFHSMW-OAHLLOKOSA-N 396.447 2.723 0 40 GFAB Nc1nc(Cl)cc(NNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)n1 95996792 KMLCWSNFYJHSFS-UHFFFAOYSA-N 379.207 2.706 0 40 GFAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 20458106 MVNXHXIWPSHNCP-SFHVURJKSA-N 375.494 2.810 0 40 GFAB CS(=O)(=O)[C@H]1CCCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 500665283 PPGAWDDYBXUISV-HNNXBMFYSA-N 396.509 2.912 0 40 GFAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccnc(NC(=O)C2CC2)c1 505220444 ROYYDNXCPFSVTB-UHFFFAOYSA-N 375.432 2.605 0 40 GFAB Cc1ccc(NC(=O)CNC(=O)c2ccoc2)cc1I 30721682 ZLUGBPSQINYZQN-UHFFFAOYSA-N 384.173 2.561 0 40 GFAB CC(C)Oc1ccc(NC(=O)NC(c2nccn2C)c2nccn2C)c(F)c1 528950814 DLMOYIMLDZACHM-UHFFFAOYSA-N 386.431 2.991 0 40 GFAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@H]5C)CC4)nn3c(O)c2C1 72398759 UYEQSLYSJIMRQG-ZBFHGGJFSA-N 397.523 2.563 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)CCc2ccccc2)C3)C1 72390904 AZOXGQQABKDUTD-IBGZPJMESA-N 392.503 2.720 0 40 GFAB CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2s1 70973038 LRHVTMOOZFVLOH-UHFFFAOYSA-N 375.475 2.775 0 40 GFAB Cc1ccc(-c2nc(N3CCC(C(N)=O)CC3)ncc2-c2cnccn2)s1 72340290 OJIKINMJPIJBRO-UHFFFAOYSA-N 380.477 2.672 0 40 GFAB CN1C(=O)C[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 72242236 HXAXCZCPURFOHM-PZJWPPBQSA-N 381.451 2.694 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)cc(C)cc2C)cc1OC 224810055 CSNUSQDCNVFRKY-UHFFFAOYSA-N 393.461 2.909 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101251 PDJMJEPOYCMJBT-UHFFFAOYSA-N 391.456 2.542 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)C)C2)cc1C 226049886 YUVMIUQCLXGIAJ-MRXNPFEDSA-N 396.553 2.957 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225568145 DYORZPDTHIJYNM-HNNXBMFYSA-N 388.489 2.971 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H](C)c1ccccc1 225135563 JZYGXRJOKQGLTL-JKSUJKDBSA-N 390.505 2.770 0 40 GFAB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637851 JNSQTTRHHRXQIG-GOSISDBHSA-N 392.477 2.887 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)c1 224184804 ZWIGMAZHIXXXBG-UHFFFAOYSA-N 383.853 2.792 0 40 GFAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 223514365 HMVZOFKMGCAMGE-GFCCVEGCSA-N 381.479 2.908 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 222490084 VMPWHVSUBFMZKR-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB COc1ccc2nc(C[C@H]3CN(C(=O)NC(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 514288360 AYDUXYKTANCQHF-KBPBESRZSA-N 388.468 2.645 0 40 GFAB biogenic,in-vitro COC(=O)CSc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 224113028 ALJGVQDJBXAEDO-UHFFFAOYSA-N 381.479 2.909 0 40 GFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCc2onc(COCC3CC3)c2C1 96085091 DVOKWPSQZOWURX-UHFFFAOYSA-N 384.404 2.626 0 40 GFAB CCOC(=O)N1CCc2nn(CC(=O)Nc3cccc(C(C)C)c3)c(=O)cc2C1 96105728 BVUZDTWHJCLMNQ-UHFFFAOYSA-N 398.463 2.520 0 40 GFAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]21 96251544 HRODBPJVEDFYBF-ZWKOTPCHSA-N 398.956 2.700 0 40 GFAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257314386 UWSKOBHVWQWYJZ-MRXNPFEDSA-N 385.449 2.669 0 40 GFAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)n2)[nH]n1 257314694 UYBWAEMCDPGCQS-SFHVURJKSA-N 393.447 2.836 0 40 GFAB CC(C)c1cccc(O[C@@H](C(=O)NC[C@H](C)S(N)(=O)=O)c2ccccc2)c1 542919519 AKOATBZUXUKFEE-HNAYVOBHSA-N 390.505 2.723 0 40 GFAB Cn1nccc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 257306271 STOMVEQFCCCXSA-AUUYWEPGSA-N 375.856 2.916 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(N(C)C)cc2)cc1Cl 90611910 VPJSRCLBTJKNHI-KRWDZBQOSA-N 375.856 2.503 0 40 GFAB Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3)cn2)C1 630727677 WCJUYNTUCOHGMH-KRWDZBQOSA-N 377.448 2.809 0 40 GFAB Cc1nnc2n1C[C@@H](NC(=O)c1nn(-c3cccc(F)c3)c3c1CCCC3)CC2 643303827 VBPLMQWUDJBPAQ-HNNXBMFYSA-N 394.454 2.535 0 40 GFAB O=C(NCc1cn(-c2ccncc2)nn1)Nc1nc(-c2ccccn2)cs1 390830097 IRXZIZDVTOWBCZ-UHFFFAOYSA-N 378.421 2.503 0 40 GFAB CC(C)N(Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O 585285595 QVGMQCHRALFEAG-GMAHTHKFSA-N 382.504 2.535 0 40 GFAB C[C@@H](NC1(CN=c2cc(Br)cn[nH]2)CCOCC1)c1ccccc1 585098407 RUMZWDOWNLKBOX-CQSZACIVSA-N 391.313 2.973 0 40 GFAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)on1 12118408 QASCWBIGXCXKGQ-AWEZNQCLSA-N 382.424 2.555 0 40 GFAB CCn1cc([C@@H](O)CN2CCN(c3cc(C)nc(C)n3)CC2)c2ccccc21 12222312 SWKCLWVICFVSTP-NRFANRHFSA-N 379.508 2.924 0 40 GFAB O=C(CCc1ccccc1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 12258549 CUJXSJXXHNDQRR-UHFFFAOYSA-N 389.459 2.978 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 13688669 JSQYGSVOIAEDSP-UHFFFAOYSA-N 376.522 2.701 0 40 GFAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCOCC2)cc1)OCO3 19335606 RUOUVYKEBDYMBR-UHFFFAOYSA-N 379.416 2.706 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 19341425 JJBVUABABZGWQM-ZDUSSCGKSA-N 390.852 2.963 0 40 GFAB c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19369608 RCRASJLIYQLENX-SFTDATJTSA-N 396.539 2.502 0 40 GFAB COc1ccc(CC(=O)NCc2nnc(-c3cnccn3)o2)c2ccccc12 19552976 NUWGGGZSQYENCJ-UHFFFAOYSA-N 375.388 2.547 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccnn3C)cc2N1 19574822 YCVIDLNSAGCXRI-MPKXVKKWSA-N 382.390 2.901 0 40 GFAB CCN(C)[C@@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C2(CCCCC2)C1 19704006 JODYUUMDZLYGAU-SFHVURJKSA-N 392.565 2.888 0 40 GFAB CNC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 648758946 NHAJPASXWPHULH-MRXNPFEDSA-N 390.846 2.504 0 40 GFAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc2[nH]nnc2c1 9749568 JDPNNQVPAYOFCG-UHFFFAOYSA-N 396.838 2.900 0 40 GFAB CCOc1cccc2sc(N3CCO[C@H](C(=O)N4CCCCC4)C3)nc12 1888866283 QWBIUYNBZIZBHE-HNNXBMFYSA-N 375.494 2.913 0 40 GFAB Cn1ccc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 1888883445 YQQHBYWSFXNGJK-UHFFFAOYSA-N 396.495 2.692 0 40 GFAB O=C([C@H]1CN(Cc2csc(-c3ccccc3)n2)CCO1)N1CCSCC1 1889149433 BBLDUIVUBAVMAZ-QGZVFWFLSA-N 389.546 2.586 0 40 GFAB O=C(c1ccc(F)cc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 15590238 AKUCNCNLPQBFKR-UHFFFAOYSA-N 386.445 2.609 0 40 GFAB C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1C 26748207 BUMDPNBFATUOAP-JTNHKYCSSA-N 381.466 2.786 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840588 OBOZKWDUIDXYAF-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)NCc1ccc(F)cc1 4376941 ZURCDMRRCIRZMR-UHFFFAOYSA-N 394.435 2.734 0 40 GFAB CCCCCNC(=O)c1ccc2c(=O)n(Cc3ccc(OC)cc3)c(=O)[nH]c2c1 4791432 MKLJPRBGAIWHEP-UHFFFAOYSA-N 395.459 2.667 0 40 GFAB O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccco1 7386978 LLRXXDULKJYDPZ-UHFFFAOYSA-N 392.437 2.931 0 40 GFAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccccc1C(F)(F)F 8954614 DSNTUDFFDDEHQC-UHFFFAOYSA-N 377.322 2.952 0 40 GFAB COc1ccc(-c2cnc([S@@](=O)CC(=O)NCCc3ccccc3)n2C)cc1 9828766 CKVQOWSOIKAVNP-MUUNZHRXSA-N 397.500 2.562 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21 21756746 RGTLTYZCACAHEF-UHFFFAOYSA-N 378.425 2.552 0 40 GFAB O=C1C[C@H](c2ccccc2)N(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCN1 40146206 GMNHCVKACPZPDS-RJRNSMGGSA-N 386.455 2.975 0 40 GFAB CC(C)c1nnc2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn12 20729814 DBCUQJYBSXNNGH-UHFFFAOYSA-N 396.470 2.920 0 40 GFAB Cn1c(C(=O)NCCn2ncc3ccccc3c2=O)c(Cl)c2ccccc21 40818867 PHKLHNNRRBVNEM-UHFFFAOYSA-N 380.835 2.972 0 40 GFAB CCn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N1CCCCC1 1325497 AFZCDPQXAOQSNM-UHFFFAOYSA-N 388.493 2.722 0 40 GFAB COc1ccc2c(c1)c(C(=O)N1CCN(CCc3ccccn3)CC1)cn2C 79494389 UGZWYXVJIZGJPV-UHFFFAOYSA-N 378.476 2.582 0 40 GFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2N)c1 2195845 XNXZMFJTVBXDGN-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1C(N)=O 2739739 LRKPYDZVBOBEDJ-GHMZBOCLSA-N 396.465 2.550 0 40 GFAB C[C@H](NC(=O)c1ccco1)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 21918119 OZXIMAYUXJCQQN-NSHDSACASA-N 397.353 2.514 0 40 GFAB COc1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cn1 22283152 IOFBXVVSOICTBV-UHFFFAOYSA-N 386.429 2.587 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccnc(OCc3ccccc3)c1)CS2 46851854 KYNZRGMNEBKCCM-UTKZUKDTSA-N 397.500 2.731 0 40 GFAB CCCn1nnnc1NC(=O)c1cc(I)ccc1Cl 6462551 CQAUTFSLJQAMTR-UHFFFAOYSA-N 391.600 2.593 0 40 GFAB O=C(Cc1ccccc1)NCC(=O)OCc1cc(Cl)cc2c1OCOC2 7428694 LSKJZEBXLMTFQN-UHFFFAOYSA-N 375.808 2.609 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)on1 7939932 GATXAXVJLPYWPC-UHFFFAOYSA-N 395.799 2.546 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(NC(N)=O)cc1 22616899 IPKBGLDOZNVQNF-UHFFFAOYSA-N 393.802 2.785 0 40 GFAB Fc1ccc(-c2nnn(CN3CCN(Cc4cccc(Cl)c4)CC3)n2)cc1 22789425 NOQPDEVSVGIJMD-UHFFFAOYSA-N 386.862 2.908 0 40 GFAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1ccc(Cl)cc1 8732508 AIDOMEYLQHNIHH-GFCCVEGCSA-N 388.807 2.795 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 10542532 SWRDLJPUSITLHF-ZDUSSCGKSA-N 375.421 2.918 0 40 GFAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccccc1Br 22195198 XMFNGTAUZYKIGZ-GFCCVEGCSA-N 382.283 2.872 0 40 GFAB CC(C)CC[C@]1(C)NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 25777729 MLIKQZRUGAYZHI-FQEVSTJZSA-N 376.476 2.652 0 40 GFAB CCc1ccccc1N(CC(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O 22329825 LFPQYYKOHQQCEF-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 57427171 KXWXTLXLUZCSEI-UHFFFAOYSA-N 385.489 2.650 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl 100924270 ZHIKENOIXWFNSP-WTTBSCSTSA-N 385.773 2.973 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(CN2CCCC2)cc1 102912998 JQLZTZXZYACGOQ-KDURUIRLSA-N 381.476 2.562 0 40 GFAB COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)oc2c1C 2106345 CESWSMFUABTAQM-LJQANCHMSA-N 395.411 2.903 0 40 GFAB biogenic O=C1N[C@@H](c2cc(F)ccc2F)C(=O)N1c1cccc(-c2nnnn2C2CC2)c1 58378684 GRKUFTJOPSXHMT-INIZCTEOSA-N 396.357 2.751 0 40 GFAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(C(C)=O)cc1)CC2 2240953 ROLURDBGASWMPM-UHFFFAOYSA-N 375.446 2.653 0 40 GFAB COc1ccc(OC)c(C(=O)COC(=O)c2cccc(CN3CCCC3=O)c2)c1 10607919 HHZUVRZVWPRLGL-UHFFFAOYSA-N 397.427 2.866 0 40 GFAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 29100573 BIVNDSCFDGNBSC-UHFFFAOYSA-N 378.407 2.814 0 40 GFAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2C)cc1 12876532 BHDONNOACJXKKX-UHFFFAOYSA-N 397.518 2.968 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)c1cncc(Br)c1 3488705 ANBLJHAMYXJQBK-UHFFFAOYSA-N 379.210 2.957 0 40 GFAB CCCn1nc(C(=O)OCC(=O)Nc2ccccc2OC)c2ccccc2c1=O 3485509 GHDVFXDDFKXUMH-UHFFFAOYSA-N 395.415 2.611 0 40 GFAB O=C(C[C@H]1NC(NCc2ccco2)=NC1=O)Nc1ccc(Cl)cc1Cl 13686317 DTPXJAKQMSEQBT-CYBMUJFWSA-N 381.219 2.559 0 40 GFAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1OC 29112286 OPVVEKNDCPRMDC-HNNXBMFYSA-N 386.423 2.873 0 40 GFAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)nc21 39970321 HPXXOUNALQFYQJ-UHFFFAOYSA-N 393.428 2.946 0 40 GFAB CC(C)=C[C@H]1[C@H](C(=O)NCCS(=O)(=O)N2CCc3ccccc32)C1(C)C 65496074 KLHZQSKZVUIREO-FUHWJXTLSA-N 376.522 2.734 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C)cc1 408613207 ZSEFMPYNQXRKAU-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CCN1C[C@@H](CN(C)C(=O)c2ccc(-n3cncn3)cc2)Oc2ccccc21 65533369 MMUKNKQZJCPTDR-GOSISDBHSA-N 377.448 2.627 0 40 GFAB CCCNC(=O)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 14135685 ZVJQFRKOIPHZRT-UHFFFAOYSA-N 379.869 2.910 0 40 GFAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-c2nnn[nH]2)cc1 14168422 HXOVHQZSBYCQLT-UHFFFAOYSA-N 385.811 2.611 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)no1 65901075 VUXAGGRITBXPKB-UHFFFAOYSA-N 385.439 2.965 0 40 GFAB O=C(COc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5636527 SPSWXVBOGWFYLB-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 4863165 QMSRKXOPQMMKMS-DOTOQJQBSA-N 397.818 2.637 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(F)cc1F)CC(O)=N2 71282495 FUAPLDZRVVXTDQ-YPMHNXCESA-N 381.404 2.953 0 40 GFAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)C1=O 6880204 SPYFUFYISZCYAB-HXUWFJFHSA-N 398.488 2.958 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C 15226699 RMIVTMPPQRASGW-UHFFFAOYSA-N 385.449 2.793 0 40 GFAB CCc1ccc(CNC(=O)COC(=O)c2cncc(Br)c2)cc1 67208177 HJIQZIMRNQYLLB-UHFFFAOYSA-N 377.238 2.880 0 40 GFAB Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 9251773 PENDLLXMNALJLE-UHFFFAOYSA-N 399.501 2.974 0 40 GFAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](NC(C)=O)C(C)C)n2)cc1 7734922 PRAKOCOJLHFRKV-KRWDZBQOSA-N 388.493 2.545 0 40 GFAB O=C(Cc1noc2ccccc12)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7941174 TVZPJVSODDLAFW-UHFFFAOYSA-N 385.445 2.794 0 40 GFAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 7987413 AEAHOIARDNCNEZ-UHFFFAOYSA-N 397.456 2.982 0 40 GFAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(c2ccccc2)CC1 7902489 RSASBNCRCJZLPT-UHFFFAOYSA-N 383.521 2.931 0 40 GFAB CCOc1cccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 22385133 CJSSAVKVFRFOMW-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 16401766 JEZKBYCIJZRQOK-HXUWFJFHSA-N 383.404 2.524 0 40 GFAB CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 19897838 XSXNCSWULXYDIJ-OAQYLSRUSA-N 384.476 2.897 0 40 GFAB biogenic CCOc1ccc(OCCNC(=O)CN2CCN(C)c3cc(F)ccc32)cc1 72305273 IXRBYUURKXGTIX-UHFFFAOYSA-N 387.455 2.676 0 40 GFAB COc1ccc(-c2c3sc(=O)[nH]c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1 72403306 XKLSCOOROCNIOB-UHFFFAOYSA-N 386.433 2.893 0 40 GFAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1 84147678 JCGAEUBAKVVZHD-CZUORRHYSA-N 383.370 2.717 0 40 GFAB C[C@@H]1CCCCN1C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 95373508 MSOFEZOZTRHCCO-MRXNPFEDSA-N 379.526 2.820 0 40 GFAB CCCCc1nc(CS(=O)(=O)[C@H](C)C(=O)N2CCCc3ccccc32)no1 98151839 SKDIRHBDVLASQZ-CQSZACIVSA-N 391.493 2.695 0 40 GFAB CC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccnn2-c2ccccc2C)cc1 95942803 QZCGQEZTZGWMJC-UHFFFAOYSA-N 377.404 2.716 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 20245544 DFVDIEJWNFQZQQ-UHFFFAOYSA-N 377.466 2.580 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(C)cc2)cc1C 408603833 HFEWLJAXYDYAHM-MRXNPFEDSA-N 390.505 2.685 0 40 GFAB Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCc2ccccc21 35313127 SOTIIYYHFZIXNH-UHFFFAOYSA-N 398.517 2.579 0 40 GFAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)c1 72390948 MRCBNJSGXHQYFB-DLBZAZTESA-N 380.492 2.523 0 40 GFAB CC[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1OCC(=O)N(C)C 559146732 CGMHKBZISBZJEE-AZUAARDMSA-N 388.483 2.937 0 40 GFAB CN1CCc2nnc([C@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)n2CC1 72370944 NLGNGJCSZHVKDC-INIZCTEOSA-N 399.514 2.589 0 40 GFAB COC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218109942 JHEDPLCZGSRVMN-SLFFLAALSA-N 375.490 2.535 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 48314218 FTMKCZCYDWQVBK-KRWDZBQOSA-N 392.477 2.572 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)cc1 40104150 FQBVVURJYISBPM-HNNXBMFYSA-N 383.448 2.732 0 40 GFAB CC[C@@H](C(=O)NCCOCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 224298200 HXLBVEGNBDGMRZ-IBGZPJMESA-N 390.505 2.564 0 40 GFAB CCn1c(=O)[nH]c2cc(C(=O)Nc3ccccc3OC(F)(F)F)ccc2c1=O 47208884 XLBAZIUALWDRMD-UHFFFAOYSA-N 393.321 2.861 0 40 GFAB Cn1c(=O)cc(C(=O)NCCCCCc2nnc3ccccn23)c2ccccc21 95478897 GIMWLWJTWCFSAU-UHFFFAOYSA-N 389.459 2.724 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1OC 257216024 CSTMBOCUGVUCEF-BEFAXECRSA-N 387.505 2.810 0 40 GFAB CNC(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1 257318516 VOGWHOQVVGCELN-JOCHJYFZSA-N 389.459 2.901 0 40 GFAB O=C(O)COc1ccc(CN2CCC[C@@H](c3nccnc3-c3ncc[nH]3)C2)cc1 257299184 RPATUUBHLKALEM-MRXNPFEDSA-N 393.447 2.710 0 40 GFAB CCc1nc(C2CCN(C(=O)c3ccc4c(c3)nc(O)n4C3CC3)CC2)n[nH]1 613930360 GBYZTLZTYFBGEM-UHFFFAOYSA-N 380.452 2.777 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1c(-n3cnnn3)sc(C)c1C)CC2 604419422 NEKXVSIUKJPHMG-AWEZNQCLSA-N 399.476 2.775 0 40 GFAB OCCN1CCCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 663548826 DGFVCRBDVOLPNN-UHFFFAOYSA-N 377.492 2.746 0 40 GFAB Cc1nn(CC(=O)NCCCc2ccccc2)c(=O)c2cc3sccc3n12 5108730 MTRIUYSGPASNBH-UHFFFAOYSA-N 380.473 2.768 0 40 GFAB COc1cccc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)c1 5168339 IAQSRKZVAFOCCW-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nnc(CC)[nH]2)sc(C(C)=O)c1C 11713180 DRXCPWGVWMNHML-UHFFFAOYSA-N 396.494 2.847 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)Oc2ccccc21 12145792 LQVWFXMHUDNVNB-PKOBYXMFSA-N 397.519 2.782 0 40 GFAB CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1nnc2ccccc2c1=O 17917376 XDRDXLHTRIKGAI-UHFFFAOYSA-N 377.231 2.757 0 40 GFAB Cc1nc(CN(C)C(=O)C(C)C)nc2c1CCC(=O)N2CCc1ccccc1 19698611 QQZYRSSCRTXMEV-UHFFFAOYSA-N 380.492 2.921 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2cc(C3CCNCC3)nn2C)cc1C 19710190 GDTVRJWVDSWKKC-KRWDZBQOSA-N 384.524 2.930 0 40 GFAB CC(=O)N1CCC[C@H]1c1nc(CN(C)Cc2cnc(C)s2)cc(N(C)C)n1 19760118 KJNILPHVMLRUCQ-KRWDZBQOSA-N 388.541 2.623 0 40 GFAB Cc1nc([C@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 19763211 UIHKILQLQVEVHI-SFHVURJKSA-N 382.512 2.524 0 40 GFAB CCn1cncc1CN1CCC2(CC1)CN(C(C)=O)Cc1cc(C)ccc1O2 12127613 VANCUSZFEQYOHQ-UHFFFAOYSA-N 382.508 2.987 0 40 GFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7085092 XGQXXBHALJTOHK-NSPYISDASA-N 386.477 2.536 0 40 GFAB Cn1cnc(C(=O)N2CC[C@H](COc3ccc(-c4cccc(F)c4)nn3)C2)c1 1888897444 JRBHQGIFLQACMB-AWEZNQCLSA-N 381.411 2.557 0 40 GFAB O=C1CN(c2cnnc(O)c2Cl)CCN1Cc1ccccc1C(F)(F)F 1857524027 MITRKIWBJVJRAM-UHFFFAOYSA-N 386.761 2.703 0 40 GFAB Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)sc1-c1nccn1C 32894976 CLMSUOZWZZKPFR-GFCCVEGCSA-N 385.449 2.688 0 40 GFAB Cc1nccc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037840662 PYFBVULOEHYNJA-OAQYLSRUSA-N 384.455 2.712 0 40 GFAB COc1ccc2c(C)cc(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)nc2c1 2087151713 NUMKXTJEYUIFAN-UHFFFAOYSA-N 389.521 2.945 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CCCOc1ccccc1 4317966 JIYMMPHEMYFTPR-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1cccn(OCc2ccc(F)cc2)c1=O 4325962 BUIUZRGKXDIVFE-UHFFFAOYSA-N 382.347 2.597 0 40 GFAB COc1ccccc1C(=O)N[C@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O 9418696 RKVMJAFWHOIPRD-KRWDZBQOSA-N 399.369 2.568 0 40 GFAB CSc1ccccc1C(=O)NCCS(=O)(=O)N1CCc2ccccc2C1 10705008 QUVJVMOZTXLNDX-UHFFFAOYSA-N 390.530 2.526 0 40 GFAB O=C(c1cccs1)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 11694125 XTSQQFIWSOLTKB-UHFFFAOYSA-N 383.473 2.517 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N 12348662 ZNJHSLVXDMDDGU-UHFFFAOYSA-N 397.460 2.566 0 40 GFAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 17011542 MEMOHDIVHNHVLC-INIZCTEOSA-N 391.493 2.692 0 40 GFAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cc2ccccc2oc1=O 17178558 LHFSNUPJAVPMME-OAQYLSRUSA-N 392.455 2.986 0 40 GFAB Cc1cc(N2CCC(COc3cc(-n4nc(C)cc4C)ncn3)CC2)ncn1 1775970110 BRHIDBDSBKGFPZ-UHFFFAOYSA-N 379.468 2.673 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)N2CCC(N3CCCc4ccccc43)CC2)C1 40149749 KDQXOHHCFIHLIS-KRWDZBQOSA-N 377.554 2.880 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100395046 YVPPPSSLWAFOTN-DSIZOQBWSA-N 383.444 2.994 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)CCc3ccc4ccccc4n3)cc2N1 21431982 MYPSDSUUQZCQKU-UHFFFAOYSA-N 390.395 2.924 0 40 GFAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c(O)c1 102310330 OPFIZCGXIZHLLW-UHFFFAOYSA-N 380.404 2.866 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 52590169 DXOURBSFLAGCDY-CYBMUJFWSA-N 378.388 2.684 0 40 GFAB COc1cccc(C(=O)NCCNC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 32909846 IRIYNSAUPGODJJ-UHFFFAOYSA-N 392.459 2.658 0 40 GFAB CCc1ccc(-n2nnnc2SCC(=O)NCc2ccc(OC)cc2)cc1 1353551 MKQCPMUBLWQTHF-UHFFFAOYSA-N 383.477 2.642 0 40 GFAB C[C@@H]1CN(CCCCNC(=O)Nc2nncc(-c3ccccc3)n2)C[C@@H](C)O1 79064371 PETRIQHVCFBIEN-HZPDHXFCSA-N 384.484 2.550 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)C1=NN(c2ccccc2)C(=O)CC1 33026961 CGRCIAPRSOWLAE-UHFFFAOYSA-N 390.487 2.950 0 40 GFAB Cc1cc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)no1 2717780 NHQAANLTPXVIHE-UHFFFAOYSA-N 382.405 2.548 0 40 GFAB CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)ccc21 7813942 VLHCULUADWUKKV-UHFFFAOYSA-N 380.376 2.700 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8036777 QCOIXXAQSYBUBH-OAHLLOKOSA-N 398.390 2.563 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3c(C)cc(=O)oc3C)ccc21 26017075 VUFHWRFUWYGZSY-CYBMUJFWSA-N 383.400 2.594 0 40 GFAB CCOC(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 26023976 KXNQFRKBFCEQGV-UHFFFAOYSA-N 381.270 2.781 0 40 GFAB C[C@H](Sc1nccn1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12525493 FPHRXSNVUVXYJN-VIFPVBQESA-N 384.383 2.905 0 40 GFAB COCCn1c(SCc2ccc3ccccc3c2)nc2c1c(=O)[nH]c(=O)n2C 1820729 TYQXGFAQMIJOOS-UHFFFAOYSA-N 396.472 2.515 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 35684688 CRXQBKCBIXKABH-MRXNPFEDSA-N 375.388 2.821 0 40 GFAB COc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244638 RAYUJHNJILWXJC-UHFFFAOYSA-N 391.493 2.564 0 40 GFAB Cn1c(-c2ccccc2)cn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1=S 27530449 KYMHQRFMYIJEGY-MRXNPFEDSA-N 377.535 2.832 0 40 GFAB CCOC(=O)[C@@H](C)NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 58181454 QITYRTWIFQNILM-LLVKDONJSA-N 377.359 2.637 0 40 GFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1cc(Cl)ccc1F 12621489 HBUJKOFPUQWJMZ-UHFFFAOYSA-N 381.860 2.937 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 10896977 PHHZPIGVRLZSOV-UHFFFAOYSA-N 377.447 2.705 0 40 GFAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 11517223 FYYPOHOIDVUQFZ-UHFFFAOYSA-N 396.415 2.659 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3cccnc3N3CCCC3)CC2)cc1F 12752065 MQMASUSUZGGNDY-UHFFFAOYSA-N 398.482 2.788 0 40 GFAB Cc1cc(NCC(=O)Nc2ccc(N3CCCC3)cc2)ccc1-n1cnnn1 48374953 LQDHMRCLWWOFLJ-UHFFFAOYSA-N 377.452 2.622 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 13058880 ADXHFBAUECGHEJ-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c2ccccc2S1 14230160 YVKJNVGMIOVVKK-XCLFUZPHSA-N 399.472 2.964 0 40 GFAB COC(=O)c1sc(NC(=O)c2cccc(Br)c2)c(C(N)=O)c1C 5531629 GSKVPHCLLPCCFD-UHFFFAOYSA-N 397.250 2.957 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC1CC1 5550462 TZLVFLCBJXIYBE-UHFFFAOYSA-N 391.427 2.594 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 6746539 KRSXCSISORLPPK-AWEZNQCLSA-N 392.452 2.874 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)o1 5795576 WNWLFAHYKYDPSC-MJVIPROJSA-N 390.408 2.918 0 40 GFAB O=C(Cc1ccccc1)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306138954 SLPRZXCSTYQAPA-SFTDATJTSA-N 386.455 2.534 0 40 GFAB COc1ccc(F)cc1C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7345922 NPYJEJNVOLRVBK-UHFFFAOYSA-N 387.436 2.937 0 40 GFAB O=C(CN1CCN(c2ccccn2)CC1)NCCc1ccc(Cl)cc1Cl 7449496 MKYOWOOGYRYWHC-UHFFFAOYSA-N 393.318 2.869 0 40 GFAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2)cc1 7562832 WUVTVFNZVNEYBW-HXUWFJFHSA-N 397.427 2.731 0 40 GFAB COc1ccc([C@H]2CCCN2CC(=O)NC(=O)NC2CCCC2)c(OC)c1 7739795 WTZIRRVHRWQUOO-QGZVFWFLSA-N 375.469 2.609 0 40 GFAB Cc1cc(C)c2nc(NC(=O)COc3ccc(-n4cnnn4)cc3)sc2c1 27794233 BNMZYPBIYBXBPE-UHFFFAOYSA-N 380.433 2.906 0 40 GFAB COC(=O)c1sc(S(=O)(=O)N(C)C2CCCCC2)c(C(=O)OC)c1C 8343933 YEYBHJFEQIFZFL-UHFFFAOYSA-N 389.495 2.583 0 40 GFAB Nc1nc(CSc2nnc3n2CCCCC3)nc(Nc2ccc(F)cc2)n1 8325203 SAMSQPPTTRZWPQ-UHFFFAOYSA-N 386.460 2.947 0 40 GFAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(C(=O)NC2CC2)c1 8341799 UFOLUGMWMJTLKW-UHFFFAOYSA-N 379.416 2.906 0 40 GFAB Cn1ccc(C(=O)N2Cc3ccccc3[C@H](c3nccn3Cc3cccnc3)C2)n1 306125777 DBXVIDCTTZYBGT-HXUWFJFHSA-N 398.470 2.848 0 40 GFAB COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCNC(=O)c2c[nH]c3ccccc23)C1 95983485 ZQHLNENINGUVKP-OAHLLOKOSA-N 399.491 2.726 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1C 21137373 RHTVBSVJDRSYLK-MRXNPFEDSA-N 384.432 2.769 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 409378093 NGUJYXKXIZZRBO-OAHLLOKOSA-N 382.526 2.900 0 40 GFAB CCCOc1ccc(C(F)(F)F)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@H]21 32912790 YZSPBHPLQTWPHP-ZWNOBZJWSA-N 377.384 2.644 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C)CC2)cc1Cl 408616925 BPKQEFLQYCGFOR-CYBMUJFWSA-N 388.917 2.664 0 40 GFAB CN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@H]1c1ccc(Cl)cc1 72241286 KRUIAJNOTYULPT-MSOLQXFVSA-N 376.815 2.694 0 40 GFAB Cc1cccc(Nc2ccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)n1 72353302 TVZXFTORGUAAPJ-OAHLLOKOSA-N 375.498 2.514 0 40 GFAB COc1cccc(-c2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 72349287 QOKXEQNEYOGTPC-INIZCTEOSA-N 375.494 2.743 0 40 GFAB COc1ccc(OC)c(NC(=O)CSCc2cc(=O)n3ccccc3n2)c1 33026670 DFZDORYIBCUDTQ-UHFFFAOYSA-N 385.445 2.584 0 40 GFAB CCO[C@H]1C[C@H]1c1nnc(N2CCN(c3cccc4[nH]ccc34)CC2)n1CC 1554072008 RKVXEFALDGLNND-APWZRJJASA-N 380.496 2.998 0 40 GFAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72353657 MOGYTGCDUQYTMY-MRXNPFEDSA-N 378.480 2.852 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)ccc21 32722082 YDKBLIXBPUXPGV-QGZVFWFLSA-N 383.473 2.900 0 40 GFAB CCOc1ccc(CNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 219169285 QUPIHNIFZUKEKE-UHFFFAOYSA-N 390.505 2.948 0 40 GFAB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2Cl)C3)C[C@@H](C)O1 72347254 AHUSHPGMICLJSZ-ZIAGYGMSSA-N 388.899 2.595 0 40 GFAB Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Br)cc2)no1 46843383 YUIJWKCBABIPAG-LLVKDONJSA-N 396.241 2.610 0 40 GFAB COc1ccc(OC)c(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)c1 40266664 MXFXMGNNHDBSEZ-UHFFFAOYSA-N 385.449 2.872 0 40 GFAB Cc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 224141879 XRDYBJNWCRPPHQ-UHFFFAOYSA-N 383.853 2.777 0 40 GFAB CN1CCC(C(=O)NC(C)(C)C)(N(C=O)CCc2c[nH]c3ccccc23)CC1 575443893 SSYCSLPPIFUYSP-UHFFFAOYSA-N 384.524 2.548 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 223237512 MBIUZGGZRVREOZ-SFHVURJKSA-N 376.403 2.897 0 40 GFAB COc1ccc([C@H](CC(=O)N[C@H](C)c2ccc(F)cc2)NS(C)(=O)=O)cc1 225954271 JHENIYYHYBAIPT-ACJLOTCBSA-N 394.468 2.692 0 40 GFAB CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(c1ncc(F)cn1)CC2 96260475 ADVAYMKQGCYJNU-UHFFFAOYSA-N 398.486 2.672 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2cc(O)nc(N3CCC(C)CC3)n2)C1 247814718 CEHREBUNWFJGTN-BZUAXINKSA-N 376.501 2.801 0 40 GFAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4ccncn4)C3)ccc2c1N 257296002 RAUODEKEGKQFEA-IBGZPJMESA-N 382.493 2.586 0 40 GFAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)CN(C)Cc1ccccc1F 257271530 MYRMXYAYCNAVAW-FPOVZHCZSA-N 375.488 2.650 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N[C@H](C)CN4CCN(C)CC4)ccc32)c1 668395081 BIDITCQBFFVCIU-GOSISDBHSA-N 391.519 2.700 0 40 GFAB COC(=O)c1cc(CNc2ccc3c(c2)N(CC(F)F)C(=O)CS3)on1 602655512 VPKGSXDWIPUOBW-UHFFFAOYSA-N 383.376 2.777 0 40 GFAB CC(=O)N(CC(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1)c1ccccc1 640259143 OCYOVXCZISKUIU-SFHVURJKSA-N 379.460 2.551 0 40 GFAB Cc1cncc(C(=O)N2CC3(C[C@H](CCOc4cncc(C)n4)CCO3)C2)c1 575404382 NGSSMOOCOLGRKN-QGZVFWFLSA-N 382.464 2.579 0 40 GFAB Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3S(C)(=O)=O)CC2)cc1 585113267 ZSSYMDDOXQNKDJ-IBGZPJMESA-N 378.538 2.590 0 40 GFAB CC[C@@H](NS(=O)(=O)c1cccc(C)c1)c1ccccc1OCC(=O)NC 56115018 XWUUONQZEHNGGI-QGZVFWFLSA-N 376.478 2.549 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)CN2CCC(=O)Nc3cc(F)ccc32)[C@@H]1C 72308956 KQRKLCCHPGYTMZ-NFAWXSAZSA-N 390.459 2.625 0 40 GFAB CCN(C1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1)S(C)(=O)=O 89960925 DGNBOMAHIKDLCB-KRWDZBQOSA-N 399.944 2.579 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc(OC)c1O 5007479 SMKRZWSARIIZLA-MDWZMJQESA-N 395.433 2.787 0 40 GFAB Cc1c(I)cc(I)cc1C(=O)O 5724459 KGXDDJVMNGOJQB-UHFFFAOYSA-N 387.942 2.902 0 40 GFAB COC[C@H](C)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 12558276 LKMJQSWBEWSTKL-ZJUUUORDSA-N 380.539 2.642 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 15717908 CUFDJUMWIROKHK-IZZDOVSWSA-N 386.473 2.548 0 40 GFAB COc1ccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1OC 15733999 KTPZIRAVPPGBQZ-UHFFFAOYSA-N 389.433 2.649 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)c4ccc(C)s4)C3)ncc2C1 19216909 WTSHTBPXTGJAJA-HNNXBMFYSA-N 384.505 2.771 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1CN(C)C 19583405 CCMXXNQSHNQRIP-SFHVURJKSA-N 396.535 2.639 0 40 GFAB CCn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)cn1 634273721 ACSFHXDAGNASND-GOSISDBHSA-N 378.480 2.606 0 40 GFAB CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(CC(C)=O)CC1 12157100 VIDQFRWIFAJGGN-SFHVURJKSA-N 390.455 2.943 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1 12186730 PENSVKXIQTVNBP-UHFFFAOYSA-N 378.432 2.775 0 40 GFAB CN(C(=O)c1n[nH]c(C2CC2)c1Br)[C@H]1CCCc2c1cnn2C 676676104 RLGVVJSOOBQLSN-NSHDSACASA-N 378.274 2.933 0 40 GFAB COCc1nsc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1 1888866911 XSXLWUAGIGHEGV-UHFFFAOYSA-N 382.440 2.616 0 40 GFAB COc1ccc2c(C)cc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nc2c1 1889151953 WTWVGJCTKXHEFB-AWEZNQCLSA-N 375.494 2.602 0 40 GFAB O=C(NCCN1Cc2ccccc2OCC1=O)c1cc(-c2ccc(F)cc2)c[nH]1 238863773 LHASIFVLDBMBKM-UHFFFAOYSA-N 393.418 2.972 0 40 GFAB O=C(CCSc1ccccc1)NCc1nnc2ccc(N3CCCC3)nn12 238810277 ADCRFUIPLAEDGA-UHFFFAOYSA-N 382.493 2.523 0 40 GFAB CCCCOC(=O)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21 3667860 ZORULYQIBKFPSA-UHFFFAOYSA-N 382.438 2.554 0 40 GFAB COc1cc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2cc1OC 4517983 JYHZNASSSFAYAO-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB Cc1ccc(N2C[C@@H](NC(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C 5187961 GPBFCRHQVSXVEC-INIZCTEOSA-N 381.432 2.637 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(OC)cc3C)cc2C1=O 8961634 PCLGSHKCCAANRT-UHFFFAOYSA-N 390.461 2.659 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C1=O 8961603 AUVXHQMTAANOPY-UHFFFAOYSA-N 380.853 2.995 0 40 GFAB COc1ccccc1NC(=O)CSc1nccn(-c2ccccc2OC)c1=O 9761465 SYVRCADQBPBEQA-UHFFFAOYSA-N 397.456 2.981 0 40 GFAB COC(=O)c1ccc(Cn2nc(C)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)o1 12228856 SABQSUXDESWZKB-UHFFFAOYSA-N 392.415 2.935 0 40 GFAB CCn1/c(=N/C(=O)CSCC(=O)Nc2nccs2)sc2ccccc21 100825481 JPDMUHBVMTVDPV-MNDPQUGUSA-N 392.531 2.978 0 40 GFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1c(C)noc1C 206799929 OHFLNUZTZUUEQX-RHSMWYFYSA-N 390.411 2.585 0 40 GFAB O=C(NCc1ccccc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575613769 TVDKJRMZZOSGQE-OAHLLOKOSA-N 391.269 2.992 0 40 GFAB O=S(=O)(NCC[C@@H](O)c1cccs1)c1ccccc1Br 77115094 BAGXUUYPRIACCD-LLVKDONJSA-N 376.297 2.913 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)N2CCC(N3CCCc4ccccc43)CC2)C1 40149748 KDQXOHHCFIHLIS-QGZVFWFLSA-N 377.554 2.880 0 40 GFAB COc1cc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc(OC)c1 21587094 GINIZFVNIZFMIV-UHFFFAOYSA-N 383.379 2.950 0 40 GFAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cc1 21624499 MULUJSXDIBRSKR-GXTWGEPZSA-N 394.518 2.973 0 40 GFAB Cc1ccccc1-c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1C 2644968 FDHKXSQXJXANKV-UHFFFAOYSA-N 393.472 2.868 0 40 GFAB COc1ccc(C(=O)Nc2ccncc2)cc1S(=O)(=O)N1CCCCCC1 17585201 KCKLLGKQHKCNOY-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB CN1CN(c2ccccc2)C2(CCN(CCC3Oc4ccccc4O3)CC2)C1=O 1668980 HZFXAHWXSCQDKG-UHFFFAOYSA-N 393.487 2.945 0 40 GFAB CC(C)C[C@H](CNC(=O)NCc1nnc2n1CCC2)N[C@H](C)c1ccccc1 78974069 FBIFOPNODQQNCO-SJLPKXTDSA-N 384.528 2.789 0 40 GFAB C[C@]1(c2cccnc2)NC(=O)N(CCOc2cccc(Br)c2)C1=O 79015342 SJNONSOZHSYJDL-QGZVFWFLSA-N 390.237 2.690 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@@H]1c1ccc(OC)cc1 4426358 DOZHTPDPUNSDHB-GOSISDBHSA-N 377.404 2.671 0 40 GFAB CCOc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCC 7541512 UJLBEUIXPRVBCN-UHFFFAOYSA-N 385.921 2.933 0 40 GFAB COCCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1Br 7552273 MILQDQQKKSUZCY-AWEZNQCLSA-N 399.310 2.774 0 40 GFAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NC[C@@H]1CCN(c2ccccc2)C1 46952431 VERXALFPWOYLTN-HOTGVXAUSA-N 384.446 2.696 0 40 GFAB C[C@H](NCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 8488943 AWVSEHWUXPRPKR-KXBFYZLASA-N 396.528 2.825 0 40 GFAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCOCC1 23105644 IKGBEUGVRLDVOL-INIZCTEOSA-N 380.897 2.970 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104677250 YYHNDTIBWWZPRM-QAETUUGQSA-N 397.475 2.857 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101370364 FIYSNFKLNQPDMP-CEXWTWQISA-N 396.535 2.803 0 40 GFAB Cc1ccn2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)nc2c1 23561684 OYHMCFRVHYIINC-IBGZPJMESA-N 382.439 2.585 0 40 GFAB O=C(NCCc1ccccn1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23690261 SWRLVNRHYYQNPF-UHFFFAOYSA-N 385.423 2.850 0 40 GFAB COc1cc(/C=C/CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)ccc1O 105268258 KHIONHKZXZNJOE-GNAXCBTBSA-N 386.492 2.884 0 40 GFAB Cc1ccc(-n2ncc(C(=O)N3CCC(C(N)=O)CC3)c2C(F)(F)F)cc1 24838023 NGCYUJNFGVFBDZ-UHFFFAOYSA-N 380.370 2.537 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 22530771 NOXFNJBDJQCMDT-OAHLLOKOSA-N 378.469 2.947 0 40 GFAB Cc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc[nH]c4n3)cc2)c1 102621555 JUQQIXYMQKXXPT-UHFFFAOYSA-N 375.388 2.557 0 40 GFAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)Nc1ccccc1 57506979 YCOTUUOBJUABBV-UHFFFAOYSA-N 387.490 2.654 0 40 GFAB CCn1c(S)nnc1CNC(=O)C1(c2ccccc2Cl)CCOCC1 109054998 IKFFTXQHOJCNFM-UHFFFAOYSA-N 380.901 2.605 0 40 GFAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc2c(c1)OCCCO2 44893987 RYHVIHRZSQZAOB-OAHLLOKOSA-N 381.388 2.577 0 40 GFAB CCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2106796 USWXBQDIDZVWOE-KRWDZBQOSA-N 387.432 2.810 0 40 GFAB biogenic O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1OC(F)(F)F 27826191 RBEQHZIWMFYHRW-UHFFFAOYSA-N 393.321 2.617 0 40 GFAB CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 3358512 ILFYKBAZGZYWHQ-CYBMUJFWSA-N 376.507 2.946 0 40 GFAB CCCC[C@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2340106 PAAKVALAHQMBGN-GOSISDBHSA-N 393.443 2.867 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1ccccc1F 12786517 YPIXUQBCAGAFAY-LJQANCHMSA-N 394.450 2.713 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cn3ccccc3=O)o1)OCO2 23749987 ZSFUCLJRMRTZOD-UHFFFAOYSA-N 380.356 2.673 0 40 GFAB COc1ccc(COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 12867278 ROUFORMCJOLHSX-SZNDQCEHSA-N 388.464 2.875 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1 3484587 GZXCKNRZJNLNHM-UHFFFAOYSA-N 390.395 2.954 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc(C)cc2)cc(OC)c1OC 3415230 ZVQIVKKBCWKMJX-MDZDMXLPSA-N 399.443 2.894 0 40 GFAB CCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=S)Nc2ccccc2)cc1 8684776 GGKVIUFFDYCIIY-SFHVURJKSA-N 396.516 2.775 0 40 GFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1Cc2cc(Cl)ccc2O1 13296724 FTMJEBMLXBKSHP-QGZVFWFLSA-N 392.864 2.822 0 40 GFAB COc1ccc(OC)c(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)c1 13511595 IQWUNPFBJQYMBH-YBEGLDIGSA-N 383.404 2.522 0 40 GFAB Cc1cc(C)c(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c(C)c1 22383930 CWIHWLYOMVFPOY-UHFFFAOYSA-N 386.517 2.963 0 40 GFAB O=C(COc1ccc(Cl)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 5025637 JMKYIBVUTVEGNV-AWEZNQCLSA-N 399.921 2.996 0 40 GFAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 4250682 BDPWLMNSUNLNDM-GFCCVEGCSA-N 383.379 2.565 0 40 GFAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCc1ccc2c(c1)OCO2 4251877 VOYKGFWUWQEZOV-ZDUSSCGKSA-N 396.472 2.790 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)C[C@H](C)O1 4351282 ZOGQMZHQYRDIIT-HOTGVXAUSA-N 381.428 2.710 0 40 GFAB O=C(CCc1nc(-c2ccsc2)no1)NCCc1ccc2c(c1)OCCO2 39994162 VUYDHYXQXGLOAX-UHFFFAOYSA-N 385.445 2.861 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCc2cccnc2)c1 5200922 VIQCCBKBRYHSSR-UHFFFAOYSA-N 382.869 2.775 0 40 GFAB COc1cc(CN2CCN(c3ncccn3)CC2)c(OC)cc1Br 14124612 FLYBEOUXOOJHDR-UHFFFAOYSA-N 393.285 2.579 0 40 GFAB COc1cc(C)c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OC 5423019 GPGSOXRNHVFCLV-UHFFFAOYSA-N 389.452 2.548 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c(Cl)c1 28208084 HEUDBNFCQMFAOO-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB Cc1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC(C)(C)OC4)c1 5552663 LTIOXXHJUBMIAE-UHFFFAOYSA-N 384.461 2.651 0 40 GFAB CCCn1c(=O)c2c(C(=O)OCC)cc(-c3ccccn3)nc2n(CCC)c1=O 5699237 SCSVJLPZWPVXPQ-UHFFFAOYSA-N 396.447 2.617 0 40 GFAB COc1cccc(CN(C)CC(=O)NCC(=O)Nc2c(C)cccc2C)c1OC 6882085 BIEPWADSYAAIDN-UHFFFAOYSA-N 399.491 2.507 0 40 GFAB Cc1ccc2c(CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)cc(=O)oc2c1C 5871110 OZRGMZZPNLJEQJ-UHFFFAOYSA-N 390.395 2.901 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7130449 NRQAQQVPSQGCGR-DTWKUNHWSA-N 380.495 2.859 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 15739973 KNNIPRXCRKHWOH-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB NC(=O)Cn1cc2c(n1)[C@@H](NC(=O)C1CCC(c3ccccc3)CC1)CCC2 96002881 OCTMVRQKQOAUEP-TVPLGVNVSA-N 380.492 2.836 0 40 GFAB COc1ccc(C(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)cc1 16322145 SAUUVIXIOXYMFJ-UHFFFAOYSA-N 380.429 2.565 0 40 GFAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7931421 RQLVFRWXKZRWCK-LBPRGKRZSA-N 385.420 2.855 0 40 GFAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCCOc1ccccc1)N2c1ccccc1 9344718 PWGWESJXJCMJFY-ZWKOTPCHSA-N 388.514 2.840 0 40 GFAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1nc2ccccc2s1 8277078 ATIPEIRKCUQSLD-INIZCTEOSA-N 384.457 2.835 0 40 GFAB C[C@](O)(CNS(=O)(=O)N1CCCCC1)C(c1ccccc1)c1ccccc1 95461897 PXMUQLXLJZNBNJ-NRFANRHFSA-N 388.533 2.890 0 40 GFAB CSCC[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 95962856 WIADFFISKPHHTK-BBWFWOEESA-N 392.496 2.739 0 40 GFAB CC(C)C[C@H]1C[C@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCO1 95991605 VCZHMXZVFDQWKT-CABCVRRESA-N 383.448 2.853 0 40 GFAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)c1 20450014 AUEYNPVZFFIHGD-MDZDMXLPSA-N 376.434 2.526 0 40 GFAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 36389767 AWSZGOLRZICRDX-KKUMJFAQSA-N 382.526 2.890 0 40 GFAB COc1cc2c(cc1OC)[C@H]1[C@H](CO)c3ccc(OC)c(OC)c3CN1CC2 31760156 OTJKLCYKZHTVBL-UTKZUKDTSA-N 385.460 2.910 0 40 GFAB NC(=O)CCc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CC1 32895024 XGJOIXYNFRZPIG-UHFFFAOYSA-N 388.537 2.909 0 40 GFAB COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc2cccnc12 523792833 USOJNQCVVMAQFU-UHFFFAOYSA-N 385.445 2.746 0 40 GFAB Cn1ncc2c(=O)n(CCOc3ccc(Cl)cc3Br)cnc21 32739622 KDGOSHUUHVKBCG-UHFFFAOYSA-N 383.633 2.625 0 40 GFAB Cc1ccccc1N1CCN(CC(=O)N2CCN(c3ccccc3C)CC2)CC1 55211529 NOHFOUARAOQNMI-UHFFFAOYSA-N 392.547 2.774 0 40 GFAB O=C(CCc1ccccc1Br)N1CC[C@@H](Oc2cnsn2)C1 675008381 VFYSMFANIKRBAL-GFCCVEGCSA-N 382.283 2.913 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3ccc(C(=O)OC)cc3)ccc21 30208569 PNQORMWYRMNUQC-UHFFFAOYSA-N 393.443 2.784 0 40 GFAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 31108278 DKCLZHGHFUVZOZ-UHFFFAOYSA-N 390.480 2.851 0 40 GFAB CCCc1nnc(S)n1CC(=O)NCc1cccc(OCC(F)(F)F)c1 36391172 XJNABDVUWPNJBQ-UHFFFAOYSA-N 388.415 2.777 0 40 GFAB O=C(CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1)N1CCOCC1 72348735 OMHSKDUZISPPNR-UHFFFAOYSA-N 397.494 2.850 0 40 GFAB NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 223296817 UZUDNSGGNSNOTI-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB CC[C@H](C(=O)NCCOc1ccccc1C)N(c1ccccc1)S(C)(=O)=O 224297847 KEBNOYMXZAMLAM-GOSISDBHSA-N 390.505 2.735 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1cn(C[C@@H](O)c2ccccc2F)nn1 225580358 YMHKSDFKSWRVGR-GOSISDBHSA-N 398.394 2.580 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1OC 222936906 DKWLDFDHDMXOHI-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB C[C@@H](CN1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1 91355764 HCHREKUQNBLKKM-INIZCTEOSA-N 377.485 2.854 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96238163 NBXZBQIQHSSZAT-LJQANCHMSA-N 388.468 2.842 0 40 GFAB Cc1ccc(NC[C@H]2CO[C@]3(COCCN(Cc4ccc(C)s4)C3)C2)nn1 96240541 WTKUHAUXRWMBPI-FXAWDEMLSA-N 388.537 2.875 0 40 GFAB CN1c2ccccc2N(CCNC(=O)/C=C/c2ccccc2Cl)S1(=O)=O 253472749 OVNUZCSNHZDLAU-ZHACJKMWSA-N 391.880 2.671 0 40 GFAB CCOc1nccn2c(CNC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)nnc12 253470932 AGAXNYHZKUUDMC-UHFFFAOYSA-N 380.383 2.587 0 40 GFAB COc1ccc(CC(=O)NCCNc2cc(Nc3cc(C)ccn3)ncn2)cc1 90607907 YWFOPRDJNHVZMZ-UHFFFAOYSA-N 392.463 2.703 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)OCCO)cc1 96338055 MREVORLWZRLECN-KRWDZBQOSA-N 387.860 2.816 0 40 GFAB CCCO[C@@H]1CCCN(S(=O)(=O)c2cccc3c(C(=O)O)nccc23)CC1 567796424 BHBVVGMPLRSJLF-CQSZACIVSA-N 392.477 2.903 0 40 GFAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CCC2CCCC2)CCO1 585282289 CSVAUEYJGCBJTL-NRFANRHFSA-N 392.471 2.648 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cnccn1)C2 585107441 VXYAJRPCSIUNHL-JOCHJYFZSA-N 388.475 2.880 0 40 GFAB Cc1c(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cnn1C 1615126895 AQFJTIYROLUITJ-OAQYLSRUSA-N 386.471 2.656 0 40 GFAB C[C@@H](Cc1cccnc1)NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 1685651057 BCYSZSDFHDYJOP-HNNXBMFYSA-N 386.883 2.720 0 40 GFAB Cc1cc(-c2cncnc2C2CCN(CC(=O)NCc3ccco3)CC2)on1 12118305 XNZFUIBIONRZEW-UHFFFAOYSA-N 381.436 2.529 0 40 GFAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)n1cnc2ccccc21 12145377 ABHPIIMFOZKUBJ-RDJZCZTQSA-N 389.459 2.902 0 40 GFAB O=C(CC[C@H]1CCCO1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12407054 LNEXGHQYLMZUOM-QWHCGFSZSA-N 379.411 2.727 0 40 GFAB CCN(CC)C(=O)CSc1nnc(-c2ccc(O)cc2)n1C[C@@H]1CCCO1 13123826 IXPGYXCLSAFMMB-INIZCTEOSA-N 390.509 2.790 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Nc1cc2c(cc1Br)OCCO2 16120878 CLUSTDPVNXFKSP-UHFFFAOYSA-N 389.227 2.626 0 40 GFAB O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 17115421 JTRUAIBPYZWWHB-UHFFFAOYSA-N 393.896 2.556 0 40 GFAB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19502135 KCEVYYSXRGMEHG-NHCUHLMSSA-N 398.555 2.901 0 40 GFAB CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)nn1C 19709094 UPNZZSFRGVQGBF-HXUWFJFHSA-N 396.470 2.988 0 40 GFAB COc1cccc([C@@H]2CN(C(=O)Cc3cccnc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712829 UJBVYNPAZNPOGC-MZKRTTBSSA-N 393.487 2.686 0 40 GFAB Cn1nc(C(=O)NCc2nnc3n2CCCCC3)cc1-c1ccc(Cl)cc1 19717183 VRIVKMXWJSDICH-UHFFFAOYSA-N 384.871 2.988 0 40 GFAB CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930304 DZBHJIXWRYLZBH-GFCCVEGCSA-N 376.906 2.664 0 40 GFAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccco1 8180772 CIICPRSPTIPAEK-JXMROGBWSA-N 386.429 2.681 0 40 GFAB CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 100737753 XMVWRXNNNBXDNE-OALUTQOASA-N 383.492 2.509 0 40 GFAB CCCCn1cc(CN2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)c(C)n1 643586927 KXSJTBRDDBTQGO-AZUAARDMSA-N 398.507 2.524 0 40 GFAB CCN(CC)C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)c3ccco3)cc21 12242295 IIYGFRSRTCBOFC-UHFFFAOYSA-N 384.432 2.883 0 40 GFAB Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 35170632 TXKSJGICSCQMLH-UHFFFAOYSA-N 398.484 2.921 0 40 GFAB O=C([C@H]1COc2ccccc2C1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888876434 MFQFWKUULSSWEG-CRAIPNDOSA-N 379.460 2.833 0 40 GFAB Cn1cnc(C(=O)N2CC[C@@H](COc3ccc(-c4cccc(F)c4)nn3)C2)c1 1888897445 JRBHQGIFLQACMB-CQSZACIVSA-N 381.411 2.557 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(c4nc(C)cc(C)n4)CC3)cnc2c1 1889179528 HKVXZJUHLBIOHY-UHFFFAOYSA-N 379.464 2.729 0 40 GFAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)nc1 1889214619 UXEQNDIRCTZZIA-IBGZPJMESA-N 376.464 2.712 0 40 GFAB CCn1nc(C)c(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)c1C 2037978280 MYHFWXLZAJABPB-UHFFFAOYSA-N 381.524 2.986 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985722 TXBMCYXMZWUVAW-QFIPXVFZSA-N 382.435 2.650 0 40 GFAB O=C(CCC(F)(F)F)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037988382 CFDWSHYJAPXEFZ-QGZVFWFLSA-N 388.361 2.893 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCCC4)cnc32)cc1C 4166067 BQOSPMVTHIXFKE-UHFFFAOYSA-N 379.464 2.602 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3ccc(F)c(Cl)c3)c(=O)c2=O)cc1 4569978 SZBPVYHLIVJIDL-UHFFFAOYSA-N 387.798 2.739 0 40 GFAB Cn1/c(=N\C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(F)ccc21 11853049 SXRHPCRCDPYOGY-XUTLUUPISA-N 383.404 2.773 0 40 GFAB CCC(=O)N1CCCc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc21 17247679 CKUDJXOGKZWGRS-UHFFFAOYSA-N 391.427 2.611 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCCCc2cnc3cc(C)nn3c2)[nH]n1 206823733 JNGFSDBMUIDISL-UHFFFAOYSA-N 390.447 2.799 0 40 GFAB O=C(Cn1cnc(-c2cccs2)cc1=O)NCCc1c[nH]c2ccccc12 49028270 GLGUBGAEFFVGPM-UHFFFAOYSA-N 378.457 2.812 0 40 GFAB Cc1nc(C(=O)O)c2n1-c1ncccc1N[C@]21CCN(C(=O)OC(C)(C)C)C1 642882053 ZDSAXFHYTMEECX-IBGZPJMESA-N 385.424 2.536 0 40 GFAB COc1ccc(-c2noc(-c3nnn(-c4cc(C)ccc4OC)c3N)n2)cc1 5043191 JUNPANXZDUJLQK-UHFFFAOYSA-N 378.392 2.892 0 40 GFAB CCSc1nnc(NC(=O)[C@@H](CC)Sc2ncnc3nc[nH]c23)s1 13572970 LMEFARUUIZEBIK-SSDOTTSWSA-N 381.512 2.826 0 40 GFAB O=C(CNC(=O)c1ccccc1F)NCCCNc1ccc(C(F)(F)F)cn1 32911972 WBPBNDDTGBYWMN-UHFFFAOYSA-N 398.360 2.588 0 40 GFAB COc1ccc(CN2C(=O)CO[C@H]3CN(CCCc4ccccc4)C[C@H]32)cc1 67897216 KVWANGBBLRNTSU-YADHBBJMSA-N 380.488 2.740 0 40 GFAB biogenic,in-vitro Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCC(Cc2ccccc2)CC1 40143063 JVZGYDVBQFJDNW-UHFFFAOYSA-N 376.478 2.639 0 40 GFAB O=C([C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1)N1CCCC1 40149794 RCYKGIKNKBKGSP-KRWDZBQOSA-N 380.416 2.607 0 40 GFAB Cc1ccc(NC(=O)CCCNC(=O)C2CC2)cc1I 30721669 NBPDXHIVZAGTQU-UHFFFAOYSA-N 386.233 2.845 0 40 GFAB C[C@@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)c1ccc2c(c1)OCO2 32889260 IESMBJGLOSTFCX-LLVKDONJSA-N 387.417 2.561 0 40 GFAB Cc1cc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2ccccc12 1100436 ZKHJORBCRDGCKH-UHFFFAOYSA-N 387.486 2.921 0 40 GFAB COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1OC 2725147 BQCPRJAFOSBEJC-SANMLTNESA-N 377.466 2.670 0 40 GFAB Cc1ccc(C(=O)NCCCCN2CCC(C)CC2)cc1NS(C)(=O)=O 47015071 TVCMYWKKFVBKIS-UHFFFAOYSA-N 381.542 2.608 0 40 GFAB CCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 6168809 QPYZHGXKHOXJNI-AWEZNQCLSA-N 376.478 2.872 0 40 GFAB COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 6169351 XAEZNELKEWQWLU-UHFFFAOYSA-N 382.869 2.541 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1 6677974 LBDAFUHKPZGBSO-UHFFFAOYSA-N 393.852 2.920 0 40 GFAB O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc(Cl)cc1 7777948 SXLXZLXNXKNXEF-UHFFFAOYSA-N 397.818 2.741 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 47101869 WBBGOXZTQHXUCU-IBGZPJMESA-N 394.523 2.887 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccccc2C)NC(=O)N3)cc1 12346101 NQKQMTSYBMZQGM-HXUWFJFHSA-N 377.444 2.697 0 40 GFAB COc1cccc(CN(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 22436737 HNUBJBYRVZBPQM-UHFFFAOYSA-N 383.492 2.869 0 40 GFAB COc1ccc(CNC2=N[C@@H](c3ccc(C)cc3)n3c(nc(C)cc3=O)N2)cc1 101983071 YEHPMXPUVMGYJC-HXUWFJFHSA-N 389.459 2.987 0 40 GFAB Cc1ncsc1C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145744 FDMQZJGSRGTXHN-HOTGVXAUSA-N 382.489 3.000 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 8476015 OVUSWCVTAYFIDM-UHFFFAOYSA-N 399.266 2.618 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccc(Cl)cc1 61718843 GCNNJPJJGRMYQH-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB O=C(c1cc(Cl)sc1Cl)N1CCC[C@H](C(=O)N2CCOCC2)C1 23315900 VBXALCKVWYMAGV-JTQLQIEISA-N 377.293 2.766 0 40 GFAB COc1c(Br)cc(Br)cc1C(=O)N1CCOCC1 59843530 FFMWCTOOQJLRKF-UHFFFAOYSA-N 379.048 2.693 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 24833692 FJMQEADVBKSWHI-SECBINFHSA-N 382.816 2.552 0 40 GFAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 20799921 LZJPQZZAALHJMS-CQSZACIVSA-N 394.479 2.676 0 40 GFAB Cc1cc(C)cc([C@@H](C)NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 107394117 SNZZVNUXVLUKFK-MRXNPFEDSA-N 393.495 2.573 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2Cl)cc1 20245762 LXJVKHNJWOCFHI-UHFFFAOYSA-N 381.885 2.513 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1CCc2ccccc21 3262127 NDQXAPOZLUDCFG-FQEVSTJZSA-N 398.434 2.713 0 40 GFAB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)NCc1ccc2c(c1)OCO2 3224551 SSVSIVUJHRJXPG-UHFFFAOYSA-N 383.187 2.590 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc[nH]c4n3)cc2)cc1 102621538 BSTSCIRTOWVECI-UHFFFAOYSA-N 375.388 2.557 0 40 GFAB CCC(CC)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C)c1)N1CCCC1 58161466 JYTKENMFKCBTNZ-GOSISDBHSA-N 385.516 2.899 0 40 GFAB O=C(COC(=O)c1ccccc1Br)NC(=O)NCc1ccccc1 3351785 YBAWIGHPKXWOEI-UHFFFAOYSA-N 391.221 2.632 0 40 GFAB Cc1c(CC(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)oc2c(C)c(O)ccc12 2101584 ZGWLUQXBQKFZEQ-SFHVURJKSA-N 381.384 2.600 0 40 GFAB biogenic O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)NC(=O)NC1CCCC1 3363509 BCXXRDHYSPPQCA-UHFFFAOYSA-N 383.448 2.972 0 40 GFAB CNC(=O)c1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)oc2C)cc1 58439097 WOLLSNHIXBCEGH-UHFFFAOYSA-N 399.472 2.531 0 40 GFAB COc1ccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1Cl 20449996 OFPBVGFWXAWTBN-VQHVLOKHSA-N 398.868 2.985 0 40 GFAB CCc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)c1 12736342 LSPZTZSSYJRDGQ-UHFFFAOYSA-N 399.476 2.707 0 40 GFAB O=C(CN1C(=O)CCC1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 11637577 KNDSWTJQKHENRU-UHFFFAOYSA-N 397.378 2.840 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)Nc1ccc(Cl)cc1 12817595 OYZKNMCHXYXDSM-JTQLQIEISA-N 393.900 2.804 0 40 GFAB COCCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1C 3463176 PFMHGYCONHKAQZ-UHFFFAOYSA-N 389.496 2.969 0 40 GFAB CCOc1ccc(C(C)=O)cc1COC(=O)c1nn(C)c(=O)c2ccccc12 3516550 CZBGTYUGBFMGML-UHFFFAOYSA-N 380.400 2.892 0 40 GFAB COC(=O)c1ccc(CNC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 13014198 XFUCFYDTMQKVOE-UHFFFAOYSA-N 381.432 2.821 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(N)(=O)=O 13110168 VRUQNTFTUOUCDW-PGBBXINNSA-N 392.521 2.677 0 40 GFAB CSc1nnc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)s1 8738200 MWHFHTIXBQUXNO-UHFFFAOYSA-N 379.854 2.712 0 40 GFAB O=C1NC(=O)[C@@]2(Cc3cccc(F)c3N3CCC[C@H]32)C(=O)N1c1ccccc1 13591555 VGPPNMJOTXACEX-KKSFZXQISA-N 379.391 2.620 0 40 GFAB CC(C)OC(=O)c1ccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)cc1 13735171 GZDUHWDPMLNINK-IEBWSBKVSA-N 389.473 2.531 0 40 GFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCc2ccccc21 14199700 LUXNUCXMLQABPX-MRXNPFEDSA-N 388.464 2.816 0 40 GFAB CCc1ccc(OCC(=O)NCCCNC(=O)COc2ccc(CC)cc2)cc1 4657169 RCQOLBWJHVXVAV-UHFFFAOYSA-N 398.503 2.892 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 4690496 BXYNCBXUIPZPJT-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB O=C(Oc1ccccc1F)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654508 NFOYCJLNGWGQGI-CYBMUJFWSA-N 388.420 2.592 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCC1=CCCCC1 4704308 BSTJPTUDQPPDHJ-LJQANCHMSA-N 386.492 2.674 0 40 GFAB Nn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1C1CCCCC1 6785551 INCBSYDAUGCRFV-UHFFFAOYSA-N 377.489 2.630 0 40 GFAB CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/C)NCc2cccc(F)c2)C1=O 5799702 YTDZZIRTQNWMQO-QGOAFFKASA-N 397.406 2.871 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1nnc(NC2CCCCC2)s1 5786906 BKCBRMOZGMANRQ-UHFFFAOYSA-N 386.543 2.834 0 40 GFAB COc1ccc(/C=C2\SC(=N)NC2=O)cc1OS(=O)(=O)c1ccccc1 408896703 ZDIDBOAPPRIEQT-GDNBJRDFSA-N 390.442 2.602 0 40 GFAB CCCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)nc(O)c2C1 67291772 NYXQNTJIKINYDB-UHFFFAOYSA-N 394.447 2.959 0 40 GFAB C[C@@H](SCc1cc(=O)n2cc(Br)ccc2n1)C(=O)NC(C)(C)C 15490694 IPTKEKURIDHDNO-SNVBAGLBSA-N 398.326 2.993 0 40 GFAB CCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccccc1OC 7238298 UNIAKMPQDMLWTK-UHFFFAOYSA-N 385.416 2.770 0 40 GFAB CCN1C(=O)S[C@H](N(CCN2C(=O)CSC2=O)c2cccc(C)c2)C1=O 9338833 NYBTYSVHZAOASC-HNNXBMFYSA-N 393.490 2.538 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H]2C=CCC2)cc1 7938107 KKNZPEWLKQCKDT-LSDHHAIUSA-N 394.493 2.600 0 40 GFAB CN(C)[C@H](CNC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1 16599539 WWODHBPMINMDRC-MRXNPFEDSA-N 398.488 2.950 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)NCc2ccccc2F)cc1 9384916 VNHXCRCZOZORCV-UHFFFAOYSA-N 390.480 2.543 0 40 GFAB COc1ccc(Cn2nnnc2SCC(=O)Nc2ccc3c(c2)CCC3)cc1 8329072 XOYGUOONYOTYFY-UHFFFAOYSA-N 395.488 2.950 0 40 GFAB CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(OC)ccc2OC)C1=O 8471737 WBINZTXJEJJVAO-HXUWFJFHSA-N 391.468 2.923 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2Cc1cccc2nsnc12 83852264 DFYACSYPGHVXPL-UHFFFAOYSA-N 388.518 2.894 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3cc(C)nn3C)o2)cc1 21585770 BDGFAAFTEDHLKR-UHFFFAOYSA-N 382.420 2.806 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 24116088 FODOXMJZVLLNQN-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc4c(c1)OCCO4)N(C)CC3)OCO2 20112459 DERUCMQVJDASGT-OAHLLOKOSA-N 397.427 2.997 0 40 GFAB biogenic O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCCCCC1 408586604 AQOANBKDINAOFI-MRXNPFEDSA-N 381.498 2.552 0 40 GFAB COCCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)c2ccccc21 524729776 JDCZNWGVVUQZIK-UWVAXJGDSA-N 395.503 2.761 0 40 GFAB biogenic O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2occc2n1Cc1ccc(Cl)cc1 36357710 JAGZSODEVYQPCW-AWEZNQCLSA-N 392.864 2.853 0 40 GFAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1F 70640208 SAXQCRAYKKAVPU-CQSZACIVSA-N 388.292 2.772 0 40 GFAB Cc1ccc(OCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219721777 NJHMAFGJRJSCGT-UHFFFAOYSA-N 390.505 2.591 0 40 GFAB Cc1nc(C)n(CCC(=O)N2CC[C@@H](c3c(C(N)=O)sc4ccccc34)C2)n1 72352481 JDUOOHXOPAEQAN-CQSZACIVSA-N 397.504 2.615 0 40 GFAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2ccccn2)nc1C 72345507 RZBPHOVHSONHCV-IBGZPJMESA-N 395.507 2.958 0 40 GFAB C[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1)OC(=O)[C@H](C)[C@H]1CC[C@H](C[C@@H](C)O)O1 35456123 VIHRKOVEWCGJQP-VSOZASSBSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C 222870270 UTEZPOUPDLYXRH-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222882089 YGCLRLGIMDUKKU-AWEZNQCLSA-N 388.439 2.549 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 44905044 PTHLXEIOBMMQDA-UHFFFAOYSA-N 382.869 2.693 0 40 GFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225531482 BBUDIBPANCBICU-ADAWSYLGSA-N 380.485 2.531 0 40 GFAB Cn1c(CN2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21 42380833 VKGHXQNYQCPDKD-UHFFFAOYSA-N 399.445 2.608 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccccc1 223590703 BHXZTAIQOAPCQE-UHFFFAOYSA-N 398.484 2.801 0 40 GFAB CC(C)[C@@H]1N(C(=O)NCc2ccccc2S(N)(=O)=O)CC12CCCCC2 572118766 ASHQZRIKGZYTEE-KRWDZBQOSA-N 379.526 2.834 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 223766148 HFPOWQDECRUERR-UHFFFAOYSA-N 389.433 2.575 0 40 GFAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)cc1 40478445 NVCJBUBYRBMFJU-UHFFFAOYSA-N 391.471 2.579 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 77100558 XIFFOGFXCZXULJ-INIZCTEOSA-N 392.459 2.599 0 40 GFAB O=S(=O)(NCC[C@@H](O)c1cccc(Cl)c1)c1cccc2nsnc12 225612324 JFXKAFNWWGQNFU-CYBMUJFWSA-N 383.882 2.747 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)Nc1ccccc1)C2 96237958 YMZUGIRJFDDBCZ-NRFANRHFSA-N 382.439 2.781 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)COCCN(Cc2cccn2C)C3)c1 96239873 RUUOGTABHOVWTP-UHFFFAOYSA-N 397.519 2.789 0 40 GFAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)Cc2ccccc2)C3)cc1 96112847 JZBMJTBLPBLXHP-IBGZPJMESA-N 377.444 2.816 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(c1ncccn1)C2 96056052 PGZIJXVLHZJGMJ-JXFKEZNVSA-N 386.521 2.820 0 40 GFAB CCc1nc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccn23)cs1 96154814 UYTRLLOHYPLXGP-UHFFFAOYSA-N 384.505 2.687 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257277180 NWTRRZRLZBVDBT-GOSISDBHSA-N 396.422 2.633 0 40 GFAB Cc1cc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)ccc1NC(=O)CC(C)C 585082493 YRWRRDQDPJZFCU-CQSZACIVSA-N 380.510 2.675 0 40 GFAB CS(=O)(=O)N1CCC[C@H](c2ccnc(N3CC4(CCCCC4)OC3=O)c2)C1 257334479 YGBWLVVDDBFXAD-INIZCTEOSA-N 393.509 2.880 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCC(N2CCc3ccccc3C2=O)CC1 257311418 UJINACXBEPNGEM-UHFFFAOYSA-N 378.428 2.718 0 40 GFAB CCc1noc(COC2CN(C(=O)N[C@@H]3CCc4ccc(F)c(F)c43)C2)n1 1616031345 NZZHSDZVRIUMSL-CYBMUJFWSA-N 378.379 2.508 0 40 GFAB Cc1snnc1C(=O)N1Cc2cn(CC3CC3)nc2[C@H](COCC2CC2)C1 585110943 DSDGSAUFRCPVDO-INIZCTEOSA-N 387.509 2.619 0 40 GFAB COc1ccccc1N1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 58018500 BSEFBDDNHWMKLF-UHFFFAOYSA-N 383.496 2.768 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC[C@@H]2CCCO2)c1 58168661 LMJHWILMALKNSM-RDJZCZTQSA-N 382.526 2.795 0 40 GFAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656040 RUKMKTKLXXKIDY-SFHVURJKSA-N 380.496 2.885 0 40 GFAB C[C@@H]1C(=O)Nc2cc(C(=O)N3CC[C@H](Oc4cccc(F)c4)C3)ccc2N1C 680117908 IHJVBTVNUQOKIG-DYVFJYSZSA-N 383.423 2.896 0 40 GFAB COc1ccc(F)cc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615158277 LKJNZODPJOPXSI-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB CCc1nn2c(=O)cc(COC(=O)CCc3c[nH]c4ccccc34)nc2s1 5297829 PIPZIFOJSGEYEN-UHFFFAOYSA-N 382.445 2.871 0 40 GFAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 13676452 ZZVRRAMYLYDUIG-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB C[C@]12CN(CCCOc3ccccc3F)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 12337845 LSWFZSADMCLKBC-AOMKIAJQSA-N 397.450 2.667 0 40 GFAB CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCc3ccccc3-c3ccccc32)nn1 571981066 ZLEZNUOXQUYCJC-NHCUHLMSSA-N 390.443 2.734 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@]1(O)CCCc2sccc21 1889151961 BDCHTQLKQXRLEY-SFHVURJKSA-N 394.880 2.689 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 4373606 IPWONUIPPWHIML-INIZCTEOSA-N 392.459 2.824 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)c(OC)c1 7456865 MUCRNIOPNLGYEN-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB COc1cc(OC)cc(-n2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)c1 10273062 IEKPUDSBHGQWBD-UHFFFAOYSA-N 382.355 2.723 0 40 GFAB CCCc1cc(O)nc(-n2nc(C)cc2NC(=O)c2cnc3ccccc3n2)n1 38741201 FFEVRKLYSOZKBS-UHFFFAOYSA-N 389.419 2.824 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1F 70968144 WEXYGFUKYGMAHQ-LJQANCHMSA-N 379.453 2.801 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1CCN(CCOc2ccccc2Cl)CC1 40024969 NLESPJODRKTPFO-QGZVFWFLSA-N 379.932 2.737 0 40 GFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@H]21 102471184 KDOGSPTXGALMSY-CDMIOBSGSA-N 381.476 2.561 0 40 GFAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 32987854 KHVFRKMANRQPNW-INIZCTEOSA-N 388.489 2.541 0 40 GFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)NC[C@@H](C)c3ccccc3)ccc21 21867646 OEQYWOGAXHPKAK-HUUCEWRRSA-N 380.448 2.916 0 40 GFAB C[C@@H]1CCc2c(sc3ncnc(N4CCN([C@H](C)C(=O)NC5CC5)CC4)c23)C1 22195925 PVTDDPDEVNSPMZ-ZIAGYGMSSA-N 399.564 2.605 0 40 GFAB CC1(C)C(=O)NCCN1C(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 4967886 BUPPRZRBYTZVOZ-UHFFFAOYSA-N 390.896 2.626 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)OC)n2CC 6465821 QFTWZPAHLAJVDW-LBPRGKRZSA-N 399.538 2.740 0 40 GFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 6593578 SZWYUBRCAQCLJM-CVEARBPZSA-N 382.526 2.709 0 40 GFAB COc1ccc(CCNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 6624521 HFMFAKFFMCRLRG-UHFFFAOYSA-N 399.443 2.882 0 40 GFAB biogenic O=C(NCc1cccnc1-n1cncn1)c1cc(-c2cccc(Cl)c2)[nH]n1 47122431 ZDJDCSVFMCDFGG-UHFFFAOYSA-N 379.811 2.636 0 40 GFAB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NCCC1=CCCCC1 8723467 KVSYXQRMHPHZMW-AWEZNQCLSA-N 379.478 2.642 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CSc2nnc(SCC(N)=O)s2)cc1C 8754057 YHOYQNSVPLZGIH-LLVKDONJSA-N 396.563 2.702 0 40 GFAB CN(C)c1ccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)cc1 12321850 HLLSZIATMZKMHG-UHFFFAOYSA-N 392.434 2.900 0 40 GFAB CCc1noc(C)c1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 23268437 DQODWYDIYQUIOP-CQSZACIVSA-N 396.447 2.603 0 40 GFAB O=C(O)c1ccc2c(=O)[nH]c3c(C(=O)NC4CCCC4)sc(=S)n3c2c1 2956548 YWFRVTJEYPGPFM-UHFFFAOYSA-N 389.458 2.942 0 40 GFAB CSc1nnc(C)n1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 107877684 NLYKHTXCTHRSAO-UHFFFAOYSA-N 379.511 2.602 0 40 GFAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccccc2)CCCC3)n1 9828787 XZFUQGQSBDYSBT-UHFFFAOYSA-N 377.448 2.563 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 12559929 CDLQIVDZGOUKAH-LJQANCHMSA-N 380.423 2.503 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(-c2cccc(F)c2)nn1 57511746 XVFKMNSDBFGWBU-UHFFFAOYSA-N 379.439 2.801 0 40 GFAB O=C1NC(=O)[C@H]2[C@H]1[C@@H]1C=Cc3cc(Cl)ccc3N1[C@@H]2C(=O)c1cccs1 103462224 RRKMLLGXBGFJBG-UKMLZYKCSA-N 384.844 2.757 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cc1 26962909 SNUURJOKQVUUPY-CYBMUJFWSA-N 396.456 2.552 0 40 GFAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(F)cc3)c(C)nn12 20633587 WODOSXDZYJRHDD-UHFFFAOYSA-N 386.383 2.521 0 40 GFAB CCOc1nnc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)s1 58163027 AYWMBNAHNWHGEA-UHFFFAOYSA-N 376.482 2.796 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 12601481 LDPIGVAJESAQAW-LJQANCHMSA-N 380.423 2.503 0 40 GFAB CCOc1ccccc1NC(=O)CN1CCCc2c1cccc2S(C)(=O)=O 58264833 CYRISPYCUPQPOO-UHFFFAOYSA-N 388.489 2.880 0 40 GFAB COC(=O)[C@]1(CC(=O)N2CCCCC2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100753591 FMLHSLSAPFAWEE-PWHSHALESA-N 398.503 2.554 0 40 GFAB Cc1nc(CN2CCN(C(=O)[C@H](c3ccccc3)n3cccn3)CC2)cs1 58266795 VXRLVWJOQSKMHH-IBGZPJMESA-N 381.505 2.582 0 40 GFAB CC(C)C(=O)NCCNC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 48117446 IXBNVFGANFUGMM-UHFFFAOYSA-N 396.491 2.786 0 40 GFAB CC(=O)c1ccc(OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 23077483 MLTGOTFPCJRXBE-GOSISDBHSA-N 393.505 2.616 0 40 GFAB C[C@H](NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 3378399 QUSJRBMOJXNUGJ-AWEZNQCLSA-N 384.407 2.987 0 40 GFAB CCC[C@](C)(NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)C(=O)OC 58434366 AVMSTHADEYZKBW-IBGZPJMESA-N 394.468 2.872 0 40 GFAB CCN(CC)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2206216 RSMRJYOJHQETFY-UHFFFAOYSA-N 386.525 2.680 0 40 GFAB Cn1cc([C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)c2cc(C(=O)O)ccc21 36360432 DFEVJGJBDOKMGK-FQEVSTJZSA-N 393.443 2.824 0 40 GFAB O=C(Cc1noc(C(=O)NC2CCCCCC2)n1)Nc1ccc(F)cc1F 36367316 KHWDEVYMISNMQR-UHFFFAOYSA-N 378.379 2.982 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1 2394867 BJTJCCKCYAMTBW-UHFFFAOYSA-N 396.476 2.657 0 40 GFAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccoc2)CC1 45432998 JOQNKFUOZBRRHA-INIZCTEOSA-N 393.484 2.503 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 170595632 DJGDSNJZNRODIA-HUBLWGQQSA-N 388.342 2.991 0 40 GFAB C[C@@H]1CN(Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)C[C@@H](C)O1 48374674 CQYUHNDCLJUTLO-HUUCEWRRSA-N 380.535 2.836 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)c1cccs1 12888822 RTMRTMJZWIXEHL-LLVKDONJSA-N 375.406 2.744 0 40 GFAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl)c1ccccc1 28207863 WVFLBWHRQVZQDF-CYBMUJFWSA-N 396.896 2.847 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 70801426 VVAHDKYAUOTYKP-HNNXBMFYSA-N 382.464 2.815 0 40 GFAB Cc1cc(SCC(=O)NCC(=O)Nc2cn[nH]c2)c(C)cc1Br 63533407 UGISSWUATUISRE-UHFFFAOYSA-N 397.298 2.636 0 40 GFAB CN(C)S(=O)(=O)n1cc(/C=C2\N=C(c3ccccc3)OC2=O)c2ccccc21 13685780 ZWAOAKSUWOKDEQ-ATVHPVEESA-N 395.440 2.640 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1ccc2c(c1)OCO2 409175087 PSDMPDOEVBMHLX-FRKPEAEDSA-N 398.396 2.796 0 40 GFAB O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8993177 OLUBNVVXUDHSEA-UHFFFAOYSA-N 379.869 2.774 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 22432166 KHHNMSQJCGGEQX-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 14182467 WVSUWMOSWVHPPT-QGZVFWFLSA-N 380.897 2.959 0 40 GFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)n1cccc/c1=N\C1CCCCC1 14119560 AJLRHQPOLVDXKC-JBBCBPGOSA-N 383.492 2.927 0 40 GFAB COc1ccc(CCN(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 14309712 HGGZUGDOSJLPGW-MRXNPFEDSA-N 386.423 2.970 0 40 GFAB Cc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccsc3c2=O)cc1 4793266 FMUATIITFVISNR-UHFFFAOYSA-N 385.489 2.589 0 40 GFAB Cc1ccccc1OCC(=O)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 6810964 FJTPPWXSBHVVQM-GOSISDBHSA-N 391.464 2.729 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 67482292 PMFPIZKGFQRNRD-FOIQADDNSA-N 391.471 2.592 0 40 GFAB CCCCN(C(=O)/C=C/c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7191901 DTJKZUMZDJLMCG-CMDGGOBGSA-N 390.509 2.683 0 40 GFAB CCN(CC(=O)NCC1CCCCC1)CC(=O)Nc1ccc(NC(C)=O)cc1 7669835 LHGZNSLSPZXTNF-UHFFFAOYSA-N 388.512 2.602 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2F)c1 22229767 IXDGICNAOFSFHP-KRWDZBQOSA-N 392.452 2.935 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 16103942 OOONHSXZXQIYOH-UHFFFAOYSA-N 378.331 2.775 0 40 GFAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cn1 8017479 PITDVNPPZXGREA-UHFFFAOYSA-N 385.445 2.551 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)COc1ccc2c(c1)OCO2 8428311 QPORYVBIVKFZBD-UHFFFAOYSA-N 376.796 2.545 0 40 GFAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 8516591 LIHHKWOQYULYBJ-UHFFFAOYSA-N 386.517 2.836 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1C 8520889 KZHVNPINTPEIMJ-HNNXBMFYSA-N 399.559 2.743 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCSc3ccccc32)C1=O 8644561 CBFCSWGDMJKGDD-OAQYLSRUSA-N 395.484 2.983 0 40 GFAB CCCCCOC1CN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C1 72311950 UKGKODSVWZLNJN-UHFFFAOYSA-N 392.500 2.998 0 40 GFAB Cc1ccc(SCCNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 9889173 COJKYBCQNMZBIL-UHFFFAOYSA-N 390.530 2.958 0 40 GFAB Cc1c(C(=O)N2CC(C)(C)C2(C)C)cc(Br)cc1S(N)(=O)=O 95964243 XICDPVAEPWIICV-UHFFFAOYSA-N 389.315 2.666 0 40 GFAB Cc1ccc(NC(=O)C[C@@H]2Cc3c(-c4ccccc4)nc(N)n3NC2=O)cc1C 409418434 ZXYWQHDSXBYZJD-INIZCTEOSA-N 389.459 3.020 0 40 GFAB NC(=O)COc1ccc(Br)cc1CNc1cccc(C(=O)O)c1 408607357 KDPUAKKYBZALHS-UHFFFAOYSA-N 379.210 2.624 0 40 GFAB COc1cc(/C=N/N=C(N)N)cc(Br)c1OCc1ccccc1 33961096 SNVKLXROQKUIHF-AWQFTUOYSA-N 377.242 2.644 0 40 GFAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408606245 OIXRDBKGTYFCEP-MRXNPFEDSA-N 382.526 2.647 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)cc1 408552275 LAVWXWSGZSKRTJ-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB O=C(c1ccc(CN2CCCCC2)o1)N1CCC(O)(c2cccnc2F)CC1 72340025 KFTZFIBSKSGPRJ-UHFFFAOYSA-N 387.455 2.923 0 40 GFAB COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(C)=O)cc1 35311152 VJVOTZFKLQGNSZ-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB COc1ccc(-c2c3sc(=O)[nH]c3nc3c2c(=O)[nH]n3C(C)C)cc1OC 72406182 DFBOIEMHOLVXHM-UHFFFAOYSA-N 386.433 2.893 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222431210 HJHUBTMEFNNECB-UHFFFAOYSA-N 390.461 2.738 0 40 GFAB O=C(Cn1cc2ccccc2n1)N1CCC(c2nc(-c3ccccn3)no2)CC1 531123386 CFIXFGXOGXKKSQ-UHFFFAOYSA-N 388.431 2.888 0 40 GFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3F)n2)cc1 223651487 AYYBNQCMKNXZTF-UHFFFAOYSA-N 391.424 2.846 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 220332811 AHYFKXYFHVPODF-OAHLLOKOSA-N 384.542 2.955 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCC3=CCCCC3)s2)cc1 225101833 BXMJAVHMAQZJSY-UHFFFAOYSA-N 392.506 2.878 0 40 GFAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223569299 KEWFSYBOQQVOQO-PMACEKPBSA-N 394.500 2.846 0 40 GFAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)/C=C/c4ccccc4)C3)n2)c1 77191169 DYQOSBZKHNQBOW-ZHACJKMWSA-N 388.427 2.735 0 40 GFAB CC(C)Sc1ccc(CC(=O)NCCn2nnc3ccccc3c2=O)cc1 225797354 SBALMXSJYIYTES-UHFFFAOYSA-N 382.489 2.651 0 40 GFAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)o3)CC2)O1 96036868 LHORDNFFOGMVDS-GOSISDBHSA-N 386.496 2.543 0 40 GFAB Cc1cc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)ccc1Br 145193403 CHCCMIKKXXRORR-UHFFFAOYSA-N 391.331 2.686 0 40 GFAB Cc1ccsc1C(=O)N1CCC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225092 CFUJOVQLCHJEDN-FQEVSTJZSA-N 398.488 2.519 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1 243080562 IQMODMGVYHALMW-UHFFFAOYSA-N 382.526 2.567 0 40 GFAB CC(C)(C)C(=O)N1CCC[C@H]1c1cnc(N2CC3(CCOCC3)OC2=O)cn1 257288383 PTZURSFGOZKFEN-HNNXBMFYSA-N 388.468 2.692 0 40 GFAB Nc1nc(O)cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257283087 OWSMGDOWVPNNJX-MRXNPFEDSA-N 397.410 2.850 0 40 GFAB C[C@@H](NC(=O)Cn1ccn(Cc2ccc(Cl)cc2)c(=O)c1=O)c1ccccc1 90610125 NSYTUVQGMHPQQL-OAHLLOKOSA-N 397.862 2.589 0 40 GFAB CNS(=O)(=O)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)s1 619295957 PUJBJCHAFCZEIX-INIZCTEOSA-N 393.534 2.949 0 40 GFAB CC(C)[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)c1nnc2ccccn12 623545487 OVDZLDZIDAVTED-NXHRZFHOSA-N 380.452 2.651 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(C(F)(F)F)cnc1O 635348222 UNGJREBKTDGOBV-UHFFFAOYSA-N 395.337 2.531 0 40 GFAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653538666 CFMWIIATVLXDJU-VHDGCEQUSA-N 396.509 2.797 0 40 GFAB N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 666963160 YZDBKLXOIIOTRM-WOJBJXKFSA-N 383.496 2.682 0 40 GFAB C[C@@H](NC(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)c1c(F)cncc1F 672581149 HJPGURJJEKJHKE-CYBMUJFWSA-N 388.418 2.650 0 40 GFAB O=C([C@H]1CCc2ccccc2O1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831220 QMNJNLKMJUEYCK-UXHICEINSA-N 385.485 2.769 0 40 GFAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1cn(C)c3ccccc13)CC2 585096473 PCWHYOFIKSKGQY-CQSZACIVSA-N 379.464 2.730 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1 12526434 VVUZUGZHTGKQQM-UHFFFAOYSA-N 388.489 2.829 0 40 GFAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 13562843 SNYBQIIVGREIAE-DRMAHVMPSA-N 382.840 2.506 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N[C@H](C)CCC(C)C)n1N 18410484 HTLLENWUXOBAPL-CYBMUJFWSA-N 377.514 2.701 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3C)ncc2C1 19079330 PCLAPBBDRZLSPW-YJBOKZPZSA-N 396.491 2.604 0 40 GFAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)COc3ccccc3)CC2)on1 19121199 JKEJOONVISBNFM-UHFFFAOYSA-N 394.431 2.931 0 40 GFAB Cc1cccc(N2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)c1C 19235643 KOXODPKAQKHKCI-UHFFFAOYSA-N 380.471 2.800 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19331610 KPRJGWZSIKHRLY-UWJYYQICSA-N 384.501 2.841 0 40 GFAB c1cnc(N2CCN(c3ncc(-c4ccncc4)c([C@@H]4CCCO4)n3)CC2)nc1 19403922 PHIINGFDVTVKDT-SFHVURJKSA-N 389.463 2.507 0 40 GFAB COCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(N)=O)CC1 19700527 GHBSTZWFMRAINB-UHFFFAOYSA-N 380.488 2.945 0 40 GFAB CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)NCC(F)F)C1 19703483 HABIRNMSRXKZRZ-IBGZPJMESA-N 377.391 2.504 0 40 GFAB CCCn1c(CN2CCC3(CC2)C[C@@H](NC(C)=O)CN3C)nc2ccccc21 19704177 UCZRGCJAGLCQMG-GOSISDBHSA-N 383.540 2.621 0 40 GFAB CN(Cc1cc(C2CCNCC2)nn1C)S(=O)(=O)Cc1ccccc1Cl 19710199 JYJIHUOQGKNPBT-UHFFFAOYSA-N 396.944 2.502 0 40 GFAB Cc1ccc(NC(=O)[C@H](OC(=O)CCN2C(=O)CCC2=O)c2ccccc2)cc1 29895337 DLRCADYDMZSRIC-OAQYLSRUSA-N 394.427 2.757 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)CC1 2456967 ZXPCSLJLDNVNNY-UHFFFAOYSA-N 390.465 2.620 0 40 GFAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccccc1Cl 8954933 YSPDFSOTJSCDAQ-UHFFFAOYSA-N 395.893 2.604 0 40 GFAB COc1ccc(OC)c(-n2c(N)c(C(=O)NC[C@H]3CCCO3)sc2=S)c1 16944989 IHYSDHYBUYTQIQ-LLVKDONJSA-N 395.506 2.776 0 40 GFAB COc1cccc(CN2CCC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 2055835335 BPRUPNKFMKBDTC-NRFANRHFSA-N 380.448 2.840 0 40 GFAB CC(C)n1cnc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)c1 1775969107 XVPZUOZEOCOMOS-LBPRGKRZSA-N 381.479 2.797 0 40 GFAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ccc(C3CC3)nn2)CC1 575619704 KPFPLMMXASGYRW-UHFFFAOYSA-N 380.477 2.768 0 40 GFAB CSc1nc(C)cc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298050249 WVADNSZKUFLOOQ-UHFFFAOYSA-N 384.509 2.577 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5223266 MCKQWORXWZNWQO-UHFFFAOYSA-N 392.502 2.772 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cccs1 40040572 VIOXUJWWNAPLSD-CQSZACIVSA-N 375.450 2.680 0 40 GFAB O=C(CCn1ncc(=O)c2ccccc21)NCCc1nc2ccccc2s1 40009590 XLMGHNHIECUHCT-UHFFFAOYSA-N 378.457 2.755 0 40 GFAB CC(C)CN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 40158159 CZRPRZMMPMKOBP-IBGZPJMESA-N 393.478 2.760 0 40 GFAB O=C(NCCSCc1ccccc1)c1nc(N2CCOCC2)ncc1Cl 40123124 YKVRJTGOLKEPCX-UHFFFAOYSA-N 392.912 2.630 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2F)C(=O)N3)cc1 20730603 GISBNYDKOZOQRB-OAHLLOKOSA-N 381.367 2.615 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cccc(C(F)(F)F)c1=O 32905955 XGKWDQSRFUOBHI-LLVKDONJSA-N 379.338 2.631 0 40 GFAB CC(C)COc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 878243 IEZWRKCADSQRML-UHFFFAOYSA-N 395.419 2.742 0 40 GFAB O=C1NCC2(CCN(C[C@H]3COc4ccccc4O3)CC2)N1c1ccccc1 1640521 LDOBJJZKPRYYIQ-SFHVURJKSA-N 379.460 2.891 0 40 GFAB O=C1CCCN1CCCn1cnc2c([nH]c3ccc(Br)cc32)c1=O 2107320 CGYYXLPHILHEGM-UHFFFAOYSA-N 389.253 2.653 0 40 GFAB biogenic C[C@H](SC1=Nc2ccccc2CS1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 22022543 RUEQRGSQWKXCCA-WCQYABFASA-N 384.548 2.688 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(CCOc2ccccc2)CC1 22069653 YVKMBVKKFRZQJU-GOSISDBHSA-N 383.492 2.719 0 40 GFAB COc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1 3607598 FHKPZCIOKAPRRC-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCC(C)CC3)s2)cc1 6817788 ORSGVTVQFYTSLT-UHFFFAOYSA-N 380.495 2.519 0 40 GFAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100767746 GCWSGQPKIODBTC-KFWWJZLASA-N 387.432 2.876 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1 8335675 RHIGLRKMFMDWAX-UHFFFAOYSA-N 378.384 2.528 0 40 GFAB COc1ccccc1C(=O)NCC(=O)OCc1cccc(Br)c1 22839301 RYXOQLGGHQMAJB-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 827954 XVOTWNGFBFPKMV-XFXZXTDPSA-N 390.896 2.901 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 23042346 JBKJGQBWJCVMOK-ZBFHGGJFSA-N 382.482 2.517 0 40 GFAB NC(=O)C1CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 24166478 RAEMXFXICQVAGX-UHFFFAOYSA-N 379.504 2.522 0 40 GFAB O=c1c2ccsc2ncn1C[C@H](O)COc1ccc(Br)cc1 24991295 XKUGKFWBTCEATC-NSHDSACASA-N 381.251 2.660 0 40 GFAB CCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 12508362 YGAGBFKTFLAVQN-UHFFFAOYSA-N 389.433 2.557 0 40 GFAB COc1ccc(CNC(=O)Nc2cccc(CN3CCOC3=O)c2)cc1OC 47958491 ODGJCJOABVTLSB-UHFFFAOYSA-N 385.420 2.978 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O 3294444 NKMCGCYKMBOLCS-BBATYDOGSA-N 381.379 2.727 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(F)cc1 57563388 CMYYNRDHOTWIET-IBGZPJMESA-N 376.391 2.920 0 40 GFAB O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1cc(F)ccc1F 57507416 BOVQEBWRPJWDHD-UHFFFAOYSA-N 396.357 2.552 0 40 GFAB COCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)cn1 58143025 ZFPOAZUNTJOHPE-QGZVFWFLSA-N 375.469 2.617 0 40 GFAB CN(C)CC(=O)N1[C@H]2CC[C@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 100753416 XHKDLNGKYJKCCU-YJBOKZPZSA-N 379.439 2.685 0 40 GFAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2n[nH]c3nccnc32)CC1 100213871 RTUJOKQPTSQHAG-GASCZTMLSA-N 379.464 2.994 0 40 GFAB O=C(NO[C@@H]1CCCCO1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 58412805 UYNIALWQFUCOSU-GOSISDBHSA-N 380.400 2.671 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c1C 10340371 ZXTXXYLMGGALLE-LJQANCHMSA-N 387.505 2.726 0 40 GFAB O=C(NC1CC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10691798 HXTCWMYYFNGQHV-UHFFFAOYSA-N 391.320 2.814 0 40 GFAB CCOc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc32)cc1OCC 3360364 GNVZDOKDDYKARO-UHFFFAOYSA-N 384.432 2.751 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(-n2ccnc2)cc1 29755381 YKFMPGLAJIWRDE-FUHWJXTLSA-N 376.464 2.756 0 40 GFAB CCOc1ccc(OCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 3327054 ZDLFTKMPDMQTSJ-OAQYLSRUSA-N 382.416 2.694 0 40 GFAB Cc1ccccc1OCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 36451979 ZVTKQYKYWQJEAA-UHFFFAOYSA-N 395.503 2.774 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccc(NS(C)(=O)=O)c1 11359679 CFZJAZSSSBOULJ-UHFFFAOYSA-N 398.488 2.791 0 40 GFAB O=C(NC1CCCCCCC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 48384434 VRIDIMAKGRUNED-UHFFFAOYSA-N 376.478 2.836 0 40 GFAB COc1ccc(CN(C(=O)Cn2cc(Br)ccc2=O)C2CC2)cc1 12805721 VMHOYMBEZFYEJN-UHFFFAOYSA-N 391.265 2.811 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)c1 3594937 RXZJSFLSZNZFTI-QFIPXVFZSA-N 377.444 2.944 0 40 GFAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C(C)C)cc1)C1=C(COC1=O)N2 4495991 AWYNGUSFUGSQRF-MRXNPFEDSA-N 395.459 2.828 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 409004021 WFCRYZDZVDHHQE-INIZCTEOSA-N 389.839 2.757 0 40 GFAB Cc1nc2ccccc2c(C)c1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 6589027 PFXYMCPJMQMATJ-UHFFFAOYSA-N 380.448 2.680 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)N1CCN(c2ccccc2)CC1 4747623 OHSBDPAQZPHMOP-GHRIWEEISA-N 397.456 2.665 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 71329945 JDDOUXCRIPROPQ-UHFFFAOYSA-N 376.460 2.972 0 40 GFAB CN(CC(=O)Nc1nc2c(s1)CCC2)S(=O)(=O)c1ccc(Cl)cc1 15636496 ODFKBBAPGPGGAO-UHFFFAOYSA-N 385.898 2.544 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(NC(C)C)s1 9256982 RFDIXDYDYGSQHJ-UHFFFAOYSA-N 393.538 2.822 0 40 GFAB O=C(OCC1CCCCC1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547635 OCXWYMSXRQOXRW-INIZCTEOSA-N 390.505 2.971 0 40 GFAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 7676112 BNJPPUXVRJUGKG-LJQANCHMSA-N 391.427 2.834 0 40 GFAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 7652891 WYTYBTHKCZKPPE-MRVPVSSYSA-N 396.230 2.597 0 40 GFAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1 16109477 GSKCFISSOWQUPW-ZDUSSCGKSA-N 377.462 2.527 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 8164834 HETKHLQXEDOSDO-CQSZACIVSA-N 384.461 2.870 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1 17480635 HQOSLWWVMSUYQK-UHFFFAOYSA-N 391.371 2.569 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)n(C)c3ccccc13)CC2 72325778 MJZVUVXZHDEHEH-UHFFFAOYSA-N 378.428 2.754 0 40 GFAB biogenic CCOc1ccc(C2=N/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C(=O)O2)cc1 96892173 KWERJKGHPWBPOM-MHWRWJLKSA-N 397.383 2.902 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1c[nH]c2ccccc12 9833949 CEEJVWDTUBEWFE-OAQYLSRUSA-N 375.384 2.580 0 40 GFAB Nc1nc2nc3c(c(-c4cccc(Br)c4)c2c(=O)[nH]1)C(=O)CCC3 20673628 SVEQPSZIFRBYIS-UHFFFAOYSA-N 385.221 2.849 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)c1C 95993169 HFWBDOKHBKYZQX-GFCCVEGCSA-N 382.386 2.801 0 40 GFAB CCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 409072173 MFGUBVGZROFFMR-IZZDOVSWSA-N 386.223 2.969 0 40 GFAB CN(CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1 219287798 UZKXIJNLKHKXGC-UHFFFAOYSA-N 395.912 2.968 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)CC1(Cn3cnnn3)CCCCC1)CC2 524733487 NEFCNSBCYRBSBC-QGZVFWFLSA-N 399.495 2.835 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OCO3)cc1 7912849 WKONINLEJDCQAD-PKNBQFBNSA-N 388.445 2.643 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 31682877 RSRUPBQTDQGMOZ-UHFFFAOYSA-N 392.246 2.991 0 40 GFAB COC[C@H](NC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1)c1ccc(C)o1 558891590 GJVFQFOURFEUJI-KRWDZBQOSA-N 391.443 2.955 0 40 GFAB C[C@H]1CCCN(CCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)C1 32931452 HQXIQWLZENMHOI-KRWDZBQOSA-N 390.487 2.847 0 40 GFAB O=C(NCc1nc2ncccn2n1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 562730423 PPHMICFXZRPTGO-UHFFFAOYSA-N 393.426 2.834 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935066 FYPVKJKFSVWYGD-KXBFYZLASA-N 388.489 2.708 0 40 GFAB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(SC)cc1 224976004 CPPBVKWJJNJBKK-UHFFFAOYSA-N 381.475 2.785 0 40 GFAB CCCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 224416320 WSJIWJVAMPQAQW-UHFFFAOYSA-N 378.450 2.522 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c(C)c1 223793583 UIRXKMGAUVQBKK-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB O=S(=O)(c1cccc(-c2nnco2)c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 585081776 ZTHPYTZKIJMICX-MJGOQNOKSA-N 399.472 2.523 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 257259823 LAFGNZJOYVDACT-KRWDZBQOSA-N 380.452 2.719 0 40 GFAB CCc1nccn1-c1ccc(C(=O)N2CCC[C@@H]3N(C(C)=O)CCC[C@@]32C)cn1 257328661 XGPOOEUXMPEWOM-AVRDEDQJSA-N 395.507 2.835 0 40 GFAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1nc(-c2ccc(F)cc2)cs1 257263985 LSJHUESPURKGDU-LPHOPBHVSA-N 391.468 2.504 0 40 GFAB O=C1CN(c2ccc(C(F)(F)F)cc2NC(=O)N2C[C@H]3CC[C@H]2C3)CCN1 654114746 ROHOBMAPBJLMMV-AAEUAGOBSA-N 382.386 2.658 0 40 GFAB CO[C@@H](C)c1nc(CNC(=O)c2ccc(N3CCOCC3)c(F)c2)cs1 674598491 RBBGIGWAMMVADU-LBPRGKRZSA-N 379.457 2.756 0 40 GFAB CCCc1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)no1 1615158398 MMGXPKHLZZZRGX-NRFANRHFSA-N 383.448 2.665 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)cc1 1617797717 BBKYSYYSGWCGND-LJQANCHMSA-N 398.484 2.813 0 40 GFAB C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 1648707300 INHURNOSCRUNPS-AZUAARDMSA-N 385.851 2.561 0 40 GFAB O=C(NN1CC(=O)N(CCc2ccccc2)C1=O)c1cc2c(s1)CCCC2 5018983 VTEOUODGKFTENY-UHFFFAOYSA-N 383.473 2.779 0 40 GFAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OC 5007064 XFYKOCIFGNHZBW-UHFFFAOYSA-N 390.417 2.597 0 40 GFAB COCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccncc1 5027245 UQIQSNVTZRGHFG-HOCLYGCPSA-N 389.525 2.774 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 5746092 POTOQTQGUVOPTR-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1nc(-c2ccccc2)no1 12202760 JSGLIJKCPHVYGA-UHFFFAOYSA-N 384.779 2.614 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1ccc(Cl)cc1 14274207 FLDHWNUQHLAFIU-DYVFJYSZSA-N 385.851 2.680 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cc(-c3ccco3)on2)c1 19039637 STJGTIAGLJGGOG-UHFFFAOYSA-N 390.417 2.978 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19085498 KLHYINAYEFVPMI-OAHLLOKOSA-N 385.512 2.563 0 40 GFAB COc1cccc(CN2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC 19239185 SLPMWGBHFGUDMX-OAHLLOKOSA-N 381.436 2.842 0 40 GFAB Cc1noc(-c2ccccc2OCC(=O)N2CCCN(c3ccccn3)CC2)n1 19286100 IIVAOWFZFNAPSP-UHFFFAOYSA-N 393.447 2.558 0 40 GFAB O=C(C1CC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343590 URYFFRUGANFMJG-HNNXBMFYSA-N 398.532 2.506 0 40 GFAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 19448285 ZQAUUWPCEWCFQF-KRWDZBQOSA-N 386.521 2.504 0 40 GFAB COc1cc(C(=O)NCc2cccc(CN3CCCCCC3)c2)nc(OC)n1 19550355 ISWRCDJNGFUMKX-UHFFFAOYSA-N 384.480 2.800 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19693586 QMAWTWYMFLAGMI-HXUWFJFHSA-N 394.406 2.657 0 40 GFAB NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CCc1ccc(F)cc1 19697195 GLQWKLQLMBTJAK-UHFFFAOYSA-N 392.434 2.673 0 40 GFAB O=C(NCc1cccc(N2CCCCC2)c1)c1ccc(Cn2cnnn2)cc1 19714868 QAUJCPDFOLQEQG-UHFFFAOYSA-N 376.464 2.642 0 40 GFAB O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)NCCC1CCCC1 19751651 MYYDMGLFFLTFPU-UHFFFAOYSA-N 385.439 2.936 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)cc1 12328460 GRFIDFPFHOWDBG-UHFFFAOYSA-N 394.431 2.795 0 40 GFAB Cc1cccc(OCCCN2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)c1 12366457 XDCOYQYESLSTLR-CVDCTZTESA-N 393.487 2.837 0 40 GFAB O=C(COC(=O)COc1ccc(Br)cc1)NCc1ccc(F)cc1 3483965 QRSPJWJCVIOEBY-UHFFFAOYSA-N 396.212 2.827 0 40 GFAB O=C(CCC(F)(F)F)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888857044 VWJLFOILAHSEHQ-UHFFFAOYSA-N 380.370 2.840 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)CCc5ccccc5)C[C@H]4C3)n1)CCC2 1888890458 WOEWRJJOIJAVRY-OALUTQOASA-N 376.504 2.801 0 40 GFAB Cc1ccnc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)c1 23440744 WADDKRGJOUAYEV-UHFFFAOYSA-N 387.237 2.891 0 40 GFAB COc1ccc(C[C@H]2CN3CCN(C(=O)OCc4ccccc4)C[C@H]3CO2)cc1 2037569109 ZJOJFQWSWAYZDV-UNMCSNQZSA-N 396.487 2.960 0 40 GFAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1ccccc1C(F)(F)F)CCO2 2037983844 IDNMZVQWAZDLNP-SFHVURJKSA-N 386.414 2.544 0 40 GFAB Cc1nc(C)c(CN2CCO[C@@]3(CO[C@@H](C(=O)NC4CCCCC4)C3)C2)s1 2056226609 WEESFXZYZYLPAW-YLJYHZDGSA-N 393.553 2.569 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(Cl)nc3)n2)cc1 9844429 NZMAWUXEXLVSSB-UHFFFAOYSA-N 398.850 2.787 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccn1C 11897879 GKJNHPZJFHRORF-AWEZNQCLSA-N 376.309 2.913 0 40 GFAB COc1ccc(C2=NO[C@@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 100204782 HCESIQRAMXQCCX-INBRIMBHSA-N 388.423 2.870 0 40 GFAB COc1cccc(C(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)c1OC 35597875 GRPIGSGWNNMJSD-LBPRGKRZSA-N 396.403 2.757 0 40 GFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575608046 DEQRRYFVSCYZIN-CYBMUJFWSA-N 389.811 2.640 0 40 GFAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 2423908 AJYDXIPSQULZLA-CROMWVBPSA-N 375.424 2.731 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1OC 40068775 DOSHKLRNRFWQGK-GOSISDBHSA-N 394.471 2.862 0 40 GFAB COc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cn1 32740621 IIFXHGWNFJIQHM-UHFFFAOYSA-N 379.210 2.805 0 40 GFAB CC1(C)CC2=Nc3nc(N)[nH]c(=O)c3[C@@H](c3ccc4c(c3)OCO4)C2=C(O)C1 102453280 LUMKFUNEVHFCPO-AWEZNQCLSA-N 380.404 2.931 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1N1CCOCC1 8780171 MMVOBWYJNUCHEJ-UHFFFAOYSA-N 383.473 2.601 0 40 GFAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 21848341 WUBCKFVZUVLJGY-XHSDSOJGSA-N 399.457 2.852 0 40 GFAB CCc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 1353591 UXBKUYBDNKACOZ-UHFFFAOYSA-N 383.433 2.684 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2ccccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 22534309 RUMGGQSRCBTMJL-GFCCVEGCSA-N 379.457 2.932 0 40 GFAB CCCn1c(=O)n(CC(=O)Nc2cccc(C(=O)N(C)C)c2)c2ccccc21 22510389 PSKGRXYZAHFFGU-UHFFFAOYSA-N 380.448 2.554 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C(C)C 4879306 FOFXUNCAYQHFJZ-UHFFFAOYSA-N 392.481 2.550 0 40 GFAB O=C(COC(=O)CSc1ccc(Br)cc1)NCc1ccco1 6163707 ZEPXJDJWOJSFJX-UHFFFAOYSA-N 384.251 2.994 0 40 GFAB CCOC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(OC)c(OC)c1 949443 JZNSIOXRZDFFFV-MFKMUULPSA-N 381.475 2.871 0 40 GFAB COc1ccc(OCCN(C)C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1 23648687 APNZFRLOPQGFIV-MRXNPFEDSA-N 398.459 2.737 0 40 GFAB COc1ccc(NC(=O)[C@@H](NCCNC(C)=O)c2ccccc2)cc1Cl 23866156 MZIIGBLOHQIBJE-SFHVURJKSA-N 375.856 2.754 0 40 GFAB COc1cc(OC)cc([C@H](NC(=O)CCc2c(C)noc2C)c2nccn2C)c1 24023011 JXFZORXASXZTCM-FQEVSTJZSA-N 398.463 2.881 0 40 GFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccn2)CC1 23762668 IEZPYWKBIBTGBC-UHFFFAOYSA-N 385.411 2.607 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100737075 UBJDQTIAFFESPR-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 24773012 ZRHINWRIEPIJRA-UHFFFAOYSA-N 383.429 2.518 0 40 GFAB COc1ccc(-c2nnn3c2nc(N)c2ncc(C(F)(F)F)cc23)cc1OC 1388058 PHUPKZXPXSVDRD-UHFFFAOYSA-N 390.325 2.958 0 40 GFAB COC(=O)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccc(OC)cc2)c(C)c1 24986928 ZOURNEQYPLDTCU-IZZDOVSWSA-N 396.443 2.948 0 40 GFAB Cc1cc(C(=O)CCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)s1 9835279 MJDHRIGRSPUYQF-GFCCVEGCSA-N 394.518 2.853 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 106541135 BTIXHIAHTXHLNC-DWRORGKVSA-N 378.538 2.913 0 40 GFAB CCN1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2Br)CC1 54363121 RQZVHCISPWLYJI-UHFFFAOYSA-N 381.723 2.737 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Oc1cccc(C(=O)NCc2ccccc2)c1 25652689 NUUWIIXJJVEHEL-UHFFFAOYSA-N 386.429 2.989 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 25956841 DGXBFZDORSSRSJ-VOTSOKGWSA-N 390.427 2.649 0 40 GFAB COc1cc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc(OC)c1OC 9888390 NTYFKTRGPHXAFT-UHFFFAOYSA-N 392.496 2.613 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Br)cn2)C1=O 57807174 GSRGZXRMWGKYBZ-NSHDSACASA-N 390.237 2.987 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)cc1 58140603 ZQPXNZJXTKZLER-SFHVURJKSA-N 378.432 2.895 0 40 GFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(C)=O)N1c3c(ccc4cccnc34)C=C[C@H]21 103461277 FMMIIWJTGVIPNO-IFPLRMGXSA-N 389.455 2.808 0 40 GFAB O=C(NCCOc1cccc(Cl)c1)Nc1ccc(N2CCOCC2)nc1 48070311 JILJFNFTGILCFU-UHFFFAOYSA-N 376.844 2.772 0 40 GFAB O=C(Cc1cccs1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768390 HVOQTGWLPNIXMV-UHFFFAOYSA-N 378.519 2.782 0 40 GFAB COc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 10884188 NQISTQRBMPLUQU-BFHYXJOUSA-N 375.498 2.704 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1OCC 3359712 POQUEAULEKOCNE-UHFFFAOYSA-N 376.409 2.562 0 40 GFAB CN(C)CCNC(=O)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 62373287 KZIDNGFAHOONMA-UHFFFAOYSA-N 386.418 2.627 0 40 GFAB CN(C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 12925365 YPDKHKKWLAHERT-DLENHJPASA-N 385.485 2.924 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(=O)[nH]1 12915213 NGEACXPVNFYXNW-UHFFFAOYSA-N 377.828 2.773 0 40 GFAB CC(C)n1ncc2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cnc21 12971658 VRHUBXIILIMPJZ-QGZVFWFLSA-N 399.520 2.877 0 40 GFAB COCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9668389 IWSMTQWWTFTWQW-JLTOFOAXSA-N 377.444 2.864 0 40 GFAB Cc1oc2[nH]c(CSc3nnc(NC(C)(C)C)s3)nc(=O)c2c1C(=O)O 13407323 CFHKRBGUCKIWKP-UHFFFAOYSA-N 395.466 2.877 0 40 GFAB O=C(/C=C/c1ccco1)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 8994548 GLPLWQKDKQSNHX-BQYQJAHWSA-N 393.421 2.896 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(/C=C/c2ccccc2)CC1 49705706 SCHGNXFILXAQQT-IWGBCORSSA-N 393.487 2.769 0 40 GFAB CCOC(=O)[C@H]1[C@@H](C(=O)N2CCCC2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 5473358 QVTZKRLAUGQJPH-QLFBSQMISA-N 398.381 2.692 0 40 GFAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)cc1F 71327403 QYGXXJKQVIOSAW-UHFFFAOYSA-N 399.401 2.742 0 40 GFAB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2c(=O)[nH]1 6976273 JCCQTKBXBFWCSC-OLZOCXBDSA-N 395.390 2.720 0 40 GFAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cccc(F)c1 17521959 RAPTUBZIRJFRLW-HNNXBMFYSA-N 380.832 2.676 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 18149766 HMKLACVMKXLODH-HNNXBMFYSA-N 380.448 2.558 0 40 GFAB O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@H](CN2CCOCC2)C1 69971277 ZSWAKPNDHMKGKN-OAHLLOKOSA-N 385.430 2.688 0 40 GFAB Cc1noc2ncc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)cc12 95465531 LFJFQQHGIVOTHP-CQSZACIVSA-N 394.431 2.628 0 40 GFAB COCCNc1ccc(CNC(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)cc1 95955875 WZOLYXCYEJNCOG-UHFFFAOYSA-N 398.511 2.830 0 40 GFAB Cc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1O[C@@H](C)C(=O)O 95991849 DIQCRPLPJLGUKJ-ZDUSSCGKSA-N 396.403 2.863 0 40 GFAB C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C 95962756 NEJGBIQYQQGYPU-RYUDHWBXSA-N 380.416 2.591 0 40 GFAB O=C(O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1 113876545 HQMQNKAETSFPHX-UHFFFAOYSA-N 388.214 2.868 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248426 YKSOFADQOIWHAS-LBPRGKRZSA-N 376.906 2.664 0 40 GFAB COc1cccc(CN2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)[C@@H](C)C2)c1 72324099 OQKUJOUIZMQYRZ-KRWDZBQOSA-N 393.491 2.701 0 40 GFAB Cc1ccc([C@@H](CNC(=O)C[C@H](C)n2nc(C)cc2C)N2CCN(C)CC2)cc1 22888217 RDAZQZRCLWKNEX-RBBKRZOGSA-N 397.567 2.864 0 40 GFAB O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 500516313 IBVNRGJPYAZMGB-AWEZNQCLSA-N 388.826 2.878 0 40 GFAB O=C(O)[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1cnc2onc(C3CC3)c2c1 514599619 HSBVTQFPCGVDAT-HIFRSBDPSA-N 393.465 2.802 0 40 GFAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1nc2ccccc2[nH]1 524733302 FHFXMKVQECIZAW-OALUTQOASA-N 389.463 2.847 0 40 GFAB COc1cc(CN2CCC(O)(c3cccnc3F)CC2)cc(OC)c1OC 72339996 HVQMBSPTUKWZDU-UHFFFAOYSA-N 376.428 2.730 0 40 GFAB CCc1cccc2c(CN3CCc4c(O)nc(N5CCOCC5)nc4C3)c[nH]c12 72335523 OEVQPMLIPWQZCR-UHFFFAOYSA-N 393.491 2.621 0 40 GFAB CN([C@@H](C(=O)NCCSC1CCCCC1)c1ccccc1)S(C)(=O)=O 225595056 HOAZFDFNSNCKFJ-QGZVFWFLSA-N 384.567 2.801 0 40 GFAB COCc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 223629228 HWBJIWMHVMBJQJ-UHFFFAOYSA-N 376.478 2.855 0 40 GFAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cnc2c(cnn2C(C)C)c1 40150817 JEWZIZRNEBRXAW-MRXNPFEDSA-N 393.513 2.545 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1 222972996 VLVZNZZGMWOUQN-UHFFFAOYSA-N 388.902 2.655 0 40 GFAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224827001 AQBHWYAVWAYTKZ-UHFFFAOYSA-N 379.434 2.690 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1C(=O)N1CCCCC1 223873841 WLZOYSYJIMAFQB-UHFFFAOYSA-N 392.477 2.735 0 40 GFAB CCOC(=O)[C@H](CC(C)C)N[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104820 NRRVVWXWMFPPSD-SJORKVTESA-N 391.512 2.597 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 224757746 JQOMVDUYCDMVEV-GFCCVEGCSA-N 398.431 2.617 0 40 GFAB COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224215136 CDOVCQXWSDZDDT-UHFFFAOYSA-N 396.896 2.850 0 40 GFAB CC(C)Cn1c(CNC(=O)c2cnc3sccn3c2=O)nc2ccccc21 96231674 KUZIPQLVQPLDMH-UHFFFAOYSA-N 381.461 2.692 0 40 GFAB CC(C)n1cnc2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)cc2c1=O 95473139 HVVRGRHHEYOXIK-SFHVURJKSA-N 376.416 2.791 0 40 GFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(CC(C)=O)C1 96315620 SESBAAPAZCLYJO-RXVVDRJESA-N 390.455 2.943 0 40 GFAB O=C(NCc1cccc(Cn2cnc3ccccc32)c1)NC[C@H]1CCCNC1 584102441 GHGLFQBUUIGNSF-IBGZPJMESA-N 377.492 2.883 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242547846 KWDDTXHGUJXPFX-QWFCFKBJSA-N 391.464 2.582 0 40 GFAB COc1cccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c1OC 257255630 KIGDBJAZSGSPAU-SHTZXODSSA-N 395.463 2.845 0 40 GFAB CC(C)c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)NC3=O)on1 257269719 MRCBKPHOTRNQQZ-MJGOQNOKSA-N 397.475 2.643 0 40 GFAB COc1cccc(O[C@H]2CCN(C(=O)c3n[nH]c4ccccc34)CC[C@@H]2O)c1 257230111 GAWFUIPOGFOWCH-OALUTQOASA-N 381.432 2.616 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 250655657 BFPLSOZROXFXCI-DOMZBBRYSA-N 398.381 2.612 0 40 GFAB O=S(=O)(C1CC1)N1CCCN(c2ncc(Cl)cc2Br)CC1 374625533 KKAMFEDMDQAEOE-UHFFFAOYSA-N 394.722 2.502 0 40 GFAB COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 626485156 HQRIFKPVBWSYHH-SGIREYDYSA-N 399.285 2.851 0 40 GFAB O=C(Cn1cc(C2CC2)cn1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 665868170 ABGKWLQWPZLSIW-UHFFFAOYSA-N 398.776 2.792 0 40 GFAB CC(C)S(=O)(=O)c1ccc(C2=CCN(C(=O)[C@H]3CCCOC3)CC2)cc1 1614972610 MINHIKGIJBTIEJ-SFHVURJKSA-N 377.506 2.911 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 575421203 IMFMDJNPNJSPGL-GOSISDBHSA-N 393.530 2.681 0 40 GFAB O=C(N[C@@H]1CCC1(F)F)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1ccccn1)C2 585107314 PRUVZRLXUYEGGA-FCEWJHQRSA-N 377.435 2.557 0 40 GFAB CCN1CCc2c(cccc2-n2nnc(C(=O)NCc3ccccc3)c2C)C1 69582282 ULYQGBVHZJHARY-UHFFFAOYSA-N 375.476 2.884 0 40 GFAB O=C(COC(=O)C1(O)CCCCC1)Nc1ccnn1Cc1ccccc1Cl 44950214 CZSDXTIKBNVWAT-UHFFFAOYSA-N 391.855 2.762 0 40 GFAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCCc2ccccc21 45593788 QKMJGWHRQDXVQO-GFCCVEGCSA-N 391.393 3.000 0 40 GFAB COc1ccc(C(=O)Nc2ccc(C)c(O)c2C)cc1S(=O)(=O)NC1CC1 48374543 ALIKIVIFCFNHSN-UHFFFAOYSA-N 390.461 2.711 0 40 GFAB CN(C)C(=O)[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)c2ccccc2O1 52771310 CLCYWBGMVVXQRG-FQEVSTJZSA-N 377.444 2.983 0 40 GFAB c1cncc(-c2ccc(N3CCN(c4ncnc5ccsc45)CC3)nn2)c1 1775974306 FSPDOPOQSYEWCP-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB CCOc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 5221564 UIGDDWWWXNUFPB-AWEZNQCLSA-N 384.432 2.638 0 40 GFAB CCCC(=O)N1CCO[C@](Cc2ccccc2-c2ccncc2)(C(=O)N(C)C)C1 19501522 JJJZTQOFOQGESS-QHCPKHFHSA-N 395.503 2.777 0 40 GFAB CCOc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19520048 GBTKZCKAIHXMND-UHFFFAOYSA-N 380.492 2.883 0 40 GFAB CCOc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2nccn2C)cc1OC 19533698 OAAVBCNEPSPULD-VSOVRNOCSA-N 385.508 2.947 0 40 GFAB Cc1nccn1C[C@H](C)C(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1 12126505 ROQZDQMFSQLWPF-AWEZNQCLSA-N 380.452 2.679 0 40 GFAB CCOC(=O)C(C(=O)OCC)[C@H](O)c1nc2ccccc2n1Cc1ccccc1 5235792 LOEUETHKUFKDNP-IBGZPJMESA-N 396.443 2.860 0 40 GFAB Clc1cnc(N2CCC(COc3ncc(Br)cn3)CC2)nc1 1888849985 GESLCTMCHPLDSI-UHFFFAOYSA-N 384.665 2.978 0 40 GFAB CC(C)n1c(N2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)nc2ccccc21 1888890895 SCATZLABKJXHDO-HOTGVXAUSA-N 378.480 2.559 0 40 GFAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3cn(C)cn3)CC[C@H]21 2037988679 DGCOZHWROOHSLX-PZJWPPBQSA-N 396.535 2.874 0 40 GFAB Cc1csc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037988719 FXZGUPCTGZHXOP-IBGZPJMESA-N 375.469 2.989 0 40 GFAB Cc1cccc(CN2CCCCOCCNC(=O)c3ccccc3OCC2)n1 2037988912 NGPBCDRMQCKPFL-UHFFFAOYSA-N 383.492 2.811 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4cc(C)on4)CC3)c2F)cc1 1775974819 RPVTWMYVVGMEKS-UHFFFAOYSA-N 397.410 2.550 0 40 GFAB Cc1c(C(=O)N[C@H](C)Cn2ccnc2)cnn1-c1ccc(C(F)(F)F)cn1 40092468 PCLSXFCFWYOIFP-LLVKDONJSA-N 378.358 2.610 0 40 GFAB CCN(C(=O)CN1CCC(NC(=O)c2scnc2C)CC1)C1CCCCC1 51099912 BDXAJTAFNGCKAA-UHFFFAOYSA-N 392.569 2.827 0 40 GFAB O=C(NCc1ccc(N2CCCC2)nc1)NCc1ccccc1Cn1cccn1 32803340 FWDGGXXHDDKMGU-UHFFFAOYSA-N 390.491 2.926 0 40 GFAB CN(C)C(=O)CN(Cn1nc(-c2cccs2)oc1=S)CC(F)(F)F 32926910 XAKTVXIAJILHER-UHFFFAOYSA-N 380.417 2.844 0 40 GFAB O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1)c1ccccc1 1404371 VHEDMLKCXIGRSK-UHFFFAOYSA-N 395.484 2.954 0 40 GFAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 2720260 IHXCOJBHGZILBW-UHFFFAOYSA-N 398.444 2.772 0 40 GFAB CCSc1nnc(SCC(=O)NCc2ccc(OC)c(C(=O)O)c2)s1 3325215 YJCWHWGRIISMGA-UHFFFAOYSA-N 399.519 2.765 0 40 GFAB OCCNc1nc2ccccc2n1CN1CCN(c2cccc(Cl)c2)CC1 3357222 OWLPKDJGRUVGHX-UHFFFAOYSA-N 385.899 2.874 0 40 GFAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 3561315 KRZLUFOZIBQMIA-UHFFFAOYSA-N 388.420 2.719 0 40 GFAB Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 4251114 JCBQSKPKLSJKGY-UHFFFAOYSA-N 385.427 2.949 0 40 GFAB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C1CCCC1 4945194 XRCOOGZAESKGAN-UHFFFAOYSA-N 395.438 2.760 0 40 GFAB COCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 4995169 XNSOVWNMCNBHRY-UHFFFAOYSA-N 396.896 2.688 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1ccncc1 5352131 YRLXGNADFATSLV-IBGZPJMESA-N 393.443 2.694 0 40 GFAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccccc1 5825452 XRCHEHARLCSTBK-UHFFFAOYSA-N 387.505 2.542 0 40 GFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2c(OC)cc(OC)cc2OC)C1=O 6497485 YDSWNZRFBGGFDN-XBDQXEDDSA-N 395.433 2.700 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2[nH]1 6657468 YAGWHULRRQDJPP-MRXNPFEDSA-N 381.461 2.848 0 40 GFAB Cc1cc(C)c2c(n1)oc1c(N3CCN(C(=O)c4ccco4)CC3)ncnc12 6759033 NNUCRTGSPGBWBN-UHFFFAOYSA-N 377.404 2.943 0 40 GFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c(OC)c1 7307244 UDWCBOXXDBWHNT-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCSc3ccccc3)C2=O)cc1 7827213 XKIMQYLEJSXWHX-OAQYLSRUSA-N 397.500 2.671 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)c1 8267946 TXHYPEWASSPUKA-CQSZACIVSA-N 397.431 2.654 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc3ccccc23)n2ncnc2N1 9049042 UZSBBSKJUWBHOV-IBGZPJMESA-N 375.432 2.579 0 40 GFAB O=C(CN1CCC(C(=O)NCCc2ccccc2)CC1)Nc1ccc(F)cc1 9067950 AIVMETXGICPMFC-UHFFFAOYSA-N 383.467 2.835 0 40 GFAB COC(=O)[C@](NC(C)=O)(Nc1nc2c(C)cc(C)cc2s1)C(F)(F)F 9090094 OKUNNLOTXMAFNP-AWEZNQCLSA-N 375.372 2.893 0 40 GFAB COc1ccccc1NC(=O)Cc1noc(CSc2nc(C(C)C)n[nH]2)n1 9155557 ONTMXCPMOTXQBD-UHFFFAOYSA-N 388.453 2.793 0 40 GFAB CCSc1ccccc1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9570982 JZZIYBPIAHLPPD-UHFFFAOYSA-N 375.404 2.983 0 40 GFAB Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 10111635 YDVLVYVRANWJPA-UHFFFAOYSA-N 389.521 2.704 0 40 GFAB NC(=O)[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1 10269259 GXJMSBMMYPYNEX-IBGZPJMESA-N 385.370 2.895 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCCC2)cc1C 11574762 CKODZFHSFLQXGR-UHFFFAOYSA-N 389.477 2.504 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n(C(C)C)n1 11695199 MDKVBOBWWGQEKZ-ZDUSSCGKSA-N 382.511 2.626 0 40 GFAB COc1ccc(OC)c(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1 12121972 OTHMCIUPMIVZAK-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2n[nH]c3nccnc23)CC1 12228355 RGUWETMRZUDNID-UHFFFAOYSA-N 377.857 2.575 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@@H](C)O1 12521310 LXEBPWXOLZQXAT-OKILXGFUSA-N 392.452 2.876 0 40 GFAB COc1ccc(OCCN2CCN(C(=S)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 12700059 UXGQLPXJZZCQBY-QKLQHJQFSA-N 389.565 2.755 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)COc2cccc3ccccc23)c2ccccc2O1 15617110 PNSXFJMHGROZSV-FQEVSTJZSA-N 376.412 2.759 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 16146808 AUHLCPBHHUAYKD-UHFFFAOYSA-N 382.507 2.663 0 40 GFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(CN2CCOCC2)cc1 18092288 IXMKSAJQHTZLDF-UHFFFAOYSA-N 379.460 2.898 0 40 GFAB C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C)N1CCCC1=O 19079556 ZILLYOVZSCCCKW-KMQSCTNJSA-N 383.536 2.866 0 40 GFAB COc1ccccc1[C@@]1(O)CCCN(C(=O)COc2ccc3nsnc3c2)C1 19569234 GWGNGGORPGBBGE-HXUWFJFHSA-N 399.472 2.589 0 40 GFAB CCn1cncc1C(=O)N1CCC[C@@H](c2ccc(C(=O)NC3CCCC3)cn2)C1 19754739 JJVAGIHNZXAOKB-QGZVFWFLSA-N 395.507 2.990 0 40 GFAB Cn1c(C(=O)NCCNC(=O)c2ccc(Br)o2)cc2ccccc21 20733684 VXLHDUMSVMOGDY-UHFFFAOYSA-N 390.237 2.694 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)s1 21934857 INPKRRZSVXTPMI-UHFFFAOYSA-N 396.509 2.784 0 40 GFAB O=C(C[C@H](NCCNCc1ccccc1)C(=O)O)Nc1cccc(Cl)c1 22592403 YAELKNUBNSQHAA-KRWDZBQOSA-N 375.856 2.501 0 40 GFAB Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c(O)n2n1 22627640 FDXZJNNMRLECFE-AWEZNQCLSA-N 380.420 2.629 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 23156626 TUIRGTXEYNJLSU-LJQANCHMSA-N 381.501 2.834 0 40 GFAB O=C(CSc1ncccc1Cl)NCC1(N2CCOCC2)CCCCC1 23186795 SGUUCBHDHKJZII-UHFFFAOYSA-N 383.945 2.978 0 40 GFAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2CCC(N)=O)c(C)n1C1CC1 23365257 CJTFUOKDGIGNIS-UHFFFAOYSA-N 387.509 2.759 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 24460433 HGZDJTRTCPUGJR-KPKJPENVSA-N 395.478 2.933 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1 24522736 FWJWCMLVNXOSLY-UHFFFAOYSA-N 381.432 2.853 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC12CC3CC(CC(C3)C1)C2 27026073 YDFMZJWYNSRFGX-DNAPKZKISA-N 377.554 2.797 0 40 GFAB CCC(C)(C)NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C 27187341 ZJLTUROTAKNDQN-CQSZACIVSA-N 376.482 2.725 0 40 GFAB CN(C)[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 27587524 FUWBRGJWPIIYKN-QFBILLFUSA-N 383.517 2.779 0 40 GFAB Cc1nn(CCCNC(=O)c2cc(C(F)(F)F)n[nH]2)c(C)c1Br 28231407 JJMXJYDKTGRYFH-UHFFFAOYSA-N 394.195 2.824 0 40 GFAB CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 30868043 VZEWCKJEVDLUCY-INIZCTEOSA-N 380.853 2.530 0 40 GFAB COc1ccc(Nc2nc(C(=O)NCc3nc(C)no3)cs2)c(OC)c1 38582140 SXRTVOHLQMONDK-UHFFFAOYSA-N 375.410 2.525 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccs3)CC2)cc1 38730845 WSCGPRIAEBBAOU-ZWKOTPCHSA-N 397.500 2.795 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 40106277 KKSIVDQZMRINQR-TXEJJXNPSA-N 383.495 2.502 0 40 GFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cccc(Cl)c2)CC1 43986559 VYNUSKLGGBTDRN-UHFFFAOYSA-N 378.885 2.782 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 45810894 DUKNVPOHFGRDDB-AWEZNQCLSA-N 385.489 2.555 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)ccn1 47013856 KUZJUYSXRPMQOW-UHFFFAOYSA-N 391.410 2.534 0 40 GFAB NC(=O)C1(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCOCC1 47930936 TXZKNRQCVDVLFP-UHFFFAOYSA-N 398.303 2.736 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nnc2ccccn12 52769474 HUKSUQBNQDJJFV-HZPDHXFCSA-N 392.463 2.851 0 40 GFAB CC(C)CCC(=O)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 53576964 AFDJBHFOVOCKFS-UHFFFAOYSA-N 378.480 2.876 0 40 GFAB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCn1ccnc1 56396592 QRAJOCIVHDGIGO-OAQYLSRUSA-N 378.476 2.536 0 40 GFAB CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 58226026 AUZJJYXCQCBJPN-KRWDZBQOSA-N 388.489 2.928 0 40 GFAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 58250432 QPAMTOXNFYSDPS-NWDGAFQWSA-N 376.316 2.708 0 40 GFAB CSCc1nc2ccccc2n1CC(=O)N1CCN(Cc2cc(C)no2)CC1 69442793 VXHIGQZVYSWTDO-UHFFFAOYSA-N 399.520 2.540 0 40 GFAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641291 WAQODGKSHBIDFK-HNNXBMFYSA-N 383.429 2.769 0 40 GFAB CC(C)C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325470 WXKBIGURPZWDHK-LJQANCHMSA-N 377.872 2.629 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCC(Nc2nc(C)c(C)c(=O)[nH]2)CC1 72341823 UDDZMJYFEUIDFJ-UHFFFAOYSA-N 383.496 2.519 0 40 GFAB C[C@@](O)(CNS(=O)(=O)c1ccc(Br)s1)c1cccs1 77186782 MCNQVPPELGJWNY-LLVKDONJSA-N 382.326 2.758 0 40 GFAB COc1c(F)cc(-c2nccn2[C@H]2COC[C@@H]2N2CCOCC2)cc1Cl 77423814 NYGZSWQQJDZRTN-HOTGVXAUSA-N 381.835 2.623 0 40 GFAB CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(O)cc1 79501969 LKNYYDDSVLPADN-FQEVSTJZSA-N 396.491 2.887 0 40 GFAB Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(Cc3ccccc3)CC1)CS2 90609558 JJKFJGRSYQHQOY-GOSISDBHSA-N 383.517 2.755 0 40 GFAB NC(=O)COC1CCN(C(=O)c2csc(-c3cc4ccccc4o3)n2)CC1 95957386 ZTUDAFOCCGHJIV-UHFFFAOYSA-N 385.445 2.663 0 40 GFAB Cc1nc([C@H]2CCCN(CC(=O)NCc3ccccc3OC3CCCC3)C2)n[nH]1 95966302 ZWXGOSUYMQATEO-SFHVURJKSA-N 397.523 2.930 0 40 GFAB CC(C)(C)OC(=O)N1CCO[C@H](COC(=O)/C=C/c2ccc3c(c2)OCO3)C1 96013326 MCVHGRJPMYKQHL-ZKKXHLJNSA-N 391.420 2.608 0 40 GFAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2 105714016 GNFZMFHNEMLWHW-UHFFFAOYSA-N 384.443 2.576 0 40 GFAB CC(C)(C)c1n[nH]cc1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 108420970 OQAZZXOWHMBMHG-GOSISDBHSA-N 383.540 2.694 0 40 GFAB CN(C)[C@H]1CCN(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)C1 108525010 HJEPPJYNMJICBH-KRWDZBQOSA-N 387.505 2.828 0 40 GFAB NC(=S)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218186707 MXTLARLGSJBSQP-OAGGEKHMSA-N 395.889 2.911 0 40 GFAB Cc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1OCC(=O)N(C)C 223241942 DRYIBLALBKLBMK-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223614321 BCFNLZKCHRSUCW-RBUKOAKNSA-N 388.537 2.501 0 40 GFAB CCC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223936073 CBPFYUFYFBEHRO-UHFFFAOYSA-N 388.902 2.911 0 40 GFAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)cc2)c1 224696609 BKYKOJGYGHTURP-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 224702198 KCFAWLXGNXTLGA-LBPRGKRZSA-N 382.511 2.952 0 40 GFAB CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)c1 225116032 CRRWTFGKNVTPEC-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB CCOc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1 225956204 QCZGMTNQSIUKHA-GOSISDBHSA-N 392.477 2.713 0 40 GFAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1C 243195237 KBTOXILWBOVBGB-UHFFFAOYSA-N 397.294 2.983 0 40 GFAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(OCc2ccccc2)cc1 257292047 QJSXUBIHMONYRK-GMAHTHKFSA-N 396.487 2.820 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408630274 QWUXRAXUCOFXGX-QGZVFWFLSA-N 390.505 2.650 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc2c(c1)OCO2 408705316 BYUOUIKOVZEGAP-UHFFFAOYSA-N 376.434 2.519 0 40 GFAB COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(OCC(=O)O)c3)n2)c1 540676864 YFEBFXMLJZWSFK-GFCCVEGCSA-N 397.387 2.700 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1cccc(C)n1 575404216 LZLUSJNHYHCBQM-SFHVURJKSA-N 396.553 2.908 0 40 GFAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575405139 SJOQUOQIYHYUCD-IEBWSBKVSA-N 382.485 2.688 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615124970 YMUPJCVOPABJIL-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB OC1(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCC1 1615188731 NRXUWEDDQCUOLT-IBGZPJMESA-N 387.879 2.616 0 40 GFAB CC(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CCC12CCOCC2 1615547108 JLKNPDMOBYLYGO-UHFFFAOYSA-N 388.483 2.877 0 40 GFAB CC[C@@H]1CCO[C@@H]1C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 1616044723 XMYRNEFMCOBOQD-APWZRJJASA-N 389.473 2.886 0 40 GFAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888856726 GZOLLMJHOGHITN-VXGBXAGGSA-N 393.369 2.569 0 40 GFAB COc1ncccc1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840467 NHNGWGBHDMBEBM-QFIPXVFZSA-N 395.459 2.519 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 983589 SQSSBGATDHQUDQ-UHFFFAOYSA-N 380.441 2.778 0 40 GFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1Br 1438295 RXBNIYSQIDYHOQ-AWEZNQCLSA-N 399.241 2.657 0 40 GFAB COC(=O)c1ccc(N2C(=O)C[C@H](n3cnc4cc(C)c(C)cc43)C2=O)cc1 1441066 AULFYADTTHCAON-SFHVURJKSA-N 377.400 2.944 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 2129713 ZLVLCDILEFVYCR-LRXVAGHRSA-N 380.444 2.667 0 40 GFAB biogenic Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCC[C@H]43)C2=O)cc1 2347791 PTKLITULSWPWCX-AVRDEDQJSA-N 375.428 2.789 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 2656536 HAUFQGFNQFPQMZ-UHFFFAOYSA-N 379.372 2.544 0 40 GFAB O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1CCN2CCC[C@@H]2C1 2766812 RNKTUUDXBRIIJB-LLVKDONJSA-N 376.810 2.739 0 40 GFAB C[C@@H](C(=O)OCC(=O)c1ccc(Cl)s1)N1C(=O)c2ccccc2C1=O 3256891 XPPKMDAJUTYLKD-VIFPVBQESA-N 377.805 2.812 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)N[C@H]2CCCc3ccccc32)cc1 3500763 DCNKJCSWOZMNSN-SFHVURJKSA-N 395.488 2.957 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1OC)CC(=O)N2 4944431 SMKBQCJIJGDOTG-LBPRGKRZSA-N 375.450 2.763 0 40 GFAB Nc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N)cc2N)c(N)c1 5022386 VFKJYEPKNRIXFU-UHFFFAOYSA-N 376.420 2.520 0 40 GFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 5136794 FFIGHYONPSSNSE-UHFFFAOYSA-N 378.425 2.555 0 40 GFAB O=C(CSc1nnnn1-c1cccc(F)c1)NCCSc1ccccc1 5355543 FXRJJEZHUOAPKR-UHFFFAOYSA-N 389.481 2.802 0 40 GFAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc2c(c1)OCCO2 5863288 VTWWBGWHQFHQML-NSHDSACASA-N 386.433 2.966 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1Br 6315996 QYRFRUYEFVFJOF-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB O=c1c2ccccc2nnn1CSc1nc(C2CC2)n(-c2ccccc2)n1 6550001 IBTSFQHWLXEUAF-UHFFFAOYSA-N 376.445 2.999 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 6650301 GTDVKXALABAUCJ-GXDHUFHOSA-N 377.418 2.853 0 40 GFAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(OC)cc3)c(C)nc21 6669398 KKOPSYDAZGMJKW-UHFFFAOYSA-N 390.490 2.965 0 40 GFAB Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1 6749046 FSYFJARLPBSBPA-DHZHZOJOSA-N 399.454 2.762 0 40 GFAB COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 7985224 LEHCFSSYZABHMO-UHFFFAOYSA-N 388.917 2.671 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC2CC2)s1 8133505 DSDSCUMLJXGLHW-JTQLQIEISA-N 389.506 2.968 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)cc2)cc1 8352582 CNAJXMPTJVOUGY-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB Cc1oc2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2c1C 8706210 BGZHUKQPTDPOFI-UHFFFAOYSA-N 393.230 2.913 0 40 GFAB COc1ccc(CCNC(=O)NC[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 9067051 ONGBJXILNFWDAM-GOSISDBHSA-N 399.466 2.725 0 40 GFAB COc1ccc(C)cc1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 9134916 CKYMLQRIFPWPGF-INIZCTEOSA-N 381.432 2.843 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377781 LBTJAIHWPDIMLS-XJKSGUPXSA-N 397.504 2.896 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10434387 CIZMORDOCHJWBN-AWEZNQCLSA-N 394.468 2.557 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC(=O)c1cccc(F)c1 10904819 OIXCCXAHZMJOFQ-UHFFFAOYSA-N 394.450 2.734 0 40 GFAB C[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11071423 WJAKSJFBGSGLSM-HOTGVXAUSA-N 394.475 2.709 0 40 GFAB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 11325217 PBZFJPPNXNFTON-UHFFFAOYSA-N 376.434 2.853 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(CC(=O)NCc3ccco3)C2)n1 12117211 OVWPCCOQSJLSKL-SFHVURJKSA-N 391.475 2.936 0 40 GFAB COc1coc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c1OC 12188777 WYIWUSHPBDMUAW-CYBMUJFWSA-N 384.392 2.762 0 40 GFAB O=C(N1CCOCC1)N1CCN(Cn2c(=S)oc3cc(Cl)ccc32)CC1 12563421 IQHQISSRLICZCD-UHFFFAOYSA-N 396.900 2.644 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 12741878 VWWFIWBGRORDEJ-UHFFFAOYSA-N 381.411 2.700 0 40 GFAB C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-n2cncn2)cc1 12817356 ZFATZOOEZIAVMX-UGSOOPFHSA-N 393.472 2.948 0 40 GFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cc(OC)c(OC)c(OC)c1 12946289 SCPNQMKOAYAKCM-INIZCTEOSA-N 378.425 2.588 0 40 GFAB COc1cccc(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c1 12971750 LVBLVFYUQLGXFZ-ZDUSSCGKSA-N 380.495 2.868 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 12987115 MANHSSUUMVMWGE-UHFFFAOYSA-N 380.400 2.821 0 40 GFAB COc1cccc(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 13001060 BIIWRGFSIWFPGQ-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1 13003113 LZBYGGIIWHZQJY-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB COc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c(OC)c1OC 13715899 GCGOXNDZTDJWSU-UHFFFAOYSA-N 384.432 2.786 0 40 GFAB COC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 14020013 LHJRUULMCGADAQ-LBPRGKRZSA-N 389.502 2.690 0 40 GFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(F)c1 14871856 MQBNOEAGWUNIFI-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CCN(CC)C(=O)CN(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 15484855 NLUQTYPYZWFYKT-UHFFFAOYSA-N 384.505 2.952 0 40 GFAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 15679254 HQRFGSMBNPVXGI-UHFFFAOYSA-N 396.472 2.825 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 17401669 UDNUPNCZICRAHY-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB COc1ccc(OC)c(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 19551442 MESQWJMDPUOWOV-MRXNPFEDSA-N 392.459 2.839 0 40 GFAB Cc1nc(C)n(CC(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)n1 19560678 WREUCJUBDCFDRV-UHFFFAOYSA-N 397.508 2.523 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1F 19590415 VVSMSEBAEVZHPD-INIZCTEOSA-N 398.482 2.561 0 40 GFAB Cc1ccc([C@]2(O)CCN(C(=O)c3ccc(C)c(N4CCOCC4)c3)C2)cc1 19716629 PHLXGOYQJLNBGL-QHCPKHFHSA-N 380.488 2.874 0 40 GFAB CCCOc1ccc(N(CC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1 22383024 HHLYQTNYNFBFBV-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1 22521501 OTLMAABVUDBGKE-CYBMUJFWSA-N 379.457 2.559 0 40 GFAB COC(=O)C1CCN([C@@H](c2ccc(C)cc2)c2sc3ncnn3c2O)CC1 22609242 MQLUSDMCBIPKGW-HNNXBMFYSA-N 386.477 2.779 0 40 GFAB C[C@]1(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1(Cl)Cl 22687618 IZFFZRYRLZPAAE-GDBMZVCRSA-N 375.271 2.899 0 40 GFAB O=C(CSc1nnc(NC2CC2)s1)N1CCN(Cc2ccccc2)CC1 23732830 WTYARWLCNJXXAP-UHFFFAOYSA-N 389.550 2.549 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 24226335 RIWXJILHUHTVFP-DLBZAZTESA-N 386.521 2.893 0 40 GFAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 24840596 RDOHWKHDPJWKJH-HNNXBMFYSA-N 376.478 2.869 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 27681873 CNXFVKOOAATVBW-UHFFFAOYSA-N 394.537 2.889 0 40 GFAB CCn1cc(Cl)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 28222841 LJOLSPGOZZPUQU-UHFFFAOYSA-N 384.870 2.822 0 40 GFAB COCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 28492539 RTXYVJJPLYCVAB-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCOCC3)cc2)cc1OC 30752850 SQLIJWUWGOVOBX-UHFFFAOYSA-N 384.476 2.808 0 40 GFAB COCCNc1nc(SCc2cc(=O)n3ccccc3n2)nc2ccccc12 33874780 IAPDPOJVPRNOCM-UHFFFAOYSA-N 393.472 2.988 0 40 GFAB O=C(c1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 36171545 LKEITHVVNPXFJX-UHFFFAOYSA-N 377.488 2.888 0 40 GFAB CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)CC(C)C)ccc3n2C)c1OC 36369861 BYXBANGBUGBKGS-UHFFFAOYSA-N 397.479 2.932 0 40 GFAB biogenic CC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 36416314 BLMHTKQHTDGODA-DZGCQCFKSA-N 387.457 2.961 0 40 GFAB O=C(CSCc1ccccc1)NCCN1CCN(c2ccccc2F)CC1 38590683 ALEPGFDPJSWLLG-UHFFFAOYSA-N 387.524 2.997 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 40074178 NKJFVLLBYFPIBO-MRXNPFEDSA-N 377.444 2.914 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2cnccn2)cc1 40112523 UVCKLHQTPKWJGN-UHFFFAOYSA-N 388.383 2.894 0 40 GFAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1 40400355 YPRIGCYNZMNRPL-HNNXBMFYSA-N 389.415 2.886 0 40 GFAB O=C(NCCN1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccsc1 42382989 HGWAJSZLOTYQHV-UHFFFAOYSA-N 395.887 2.728 0 40 GFAB O=C(NCc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1COc2ccccc2O1 43047358 HKXHXRVQLLHHPM-FQEVSTJZSA-N 380.444 2.769 0 40 GFAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1cccc2cnccc12 47543106 ILYCYYFHZUMRMQ-UHFFFAOYSA-N 389.521 2.548 0 40 GFAB CN1C(=O)c2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2C1=O 48274305 KJUHBHRBSWWHTE-UHFFFAOYSA-N 379.416 2.559 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)cc1 49401626 CENGZIRUVTZVBX-UHFFFAOYSA-N 377.429 2.862 0 40 GFAB Cc1cc2nc(SCC(=O)N(C)c3cccc(Cl)c3)n(C)c(=O)c2[nH]1 57521628 HBIGEMFBZGFXRW-UHFFFAOYSA-N 376.869 2.979 0 40 GFAB Fc1ccccc1-c1nnc2ccc(N[C@@H]3CCN(CC(F)(F)F)C3)nn12 57855140 XYAHWUQINIPMNR-LLVKDONJSA-N 380.349 2.979 0 40 GFAB CC[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 58026214 XUZMTWUKRFWPQO-SFHVURJKSA-N 399.557 2.927 0 40 GFAB CC[C@H](CCNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)N1CCCC1=O 58298535 LFPYRMUMNZYIKJ-MRXNPFEDSA-N 397.483 2.588 0 40 GFAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(O)c1 61720783 SRUDGGGLPOHNIN-UHFFFAOYSA-N 388.855 2.516 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)cc3-n3cnnn3)c2c1 71285734 ZOHHKWZQGBBIOZ-UHFFFAOYSA-N 396.838 2.778 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 71288682 MJLRIFZRTSPKQX-ZWKOTPCHSA-N 382.416 2.999 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1 72304272 HJSRNBRXAYQTAE-APWZRJJASA-N 378.472 2.923 0 40 GFAB CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)NCc3ccccc3)cc2)[C@H]1CO 72321169 JIAMIWVREBTMDC-TZIWHRDSSA-N 397.475 2.678 0 40 GFAB biogenic,in-vitro COCCn1ccc2c(NC(=O)c3cnc4scc(C)n4c3=O)cccc21 72401574 PEWABNBBSQRYJK-UHFFFAOYSA-N 382.445 2.918 0 40 GFAB Cc1cccc(C(=O)N2CCSCC2)c1NC(=O)N[C@@H]1CCCC[C@H]1O 89688836 JQHJOQLLAWVDQQ-HZPDHXFCSA-N 377.510 2.609 0 40 GFAB O=S(=O)(c1ccc(Br)cc1)N1CCC(Cn2cccn2)CC1 90560588 MMLJOGMKGKLMAJ-UHFFFAOYSA-N 384.299 2.747 0 40 GFAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(Cl)cc2)o1 96117804 RILCXTUJHUDOBZ-HNNXBMFYSA-N 377.824 2.688 0 40 GFAB CCN(CCO)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 98075307 ZLRHMONWDUHLEN-UHFFFAOYSA-N 376.478 2.559 0 40 GFAB COC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(C)no1)n2CCSC 101315391 HUMVLZKXSGVMGQ-ISLYRVAYSA-N 391.474 2.890 0 40 GFAB C[C@H](C(=O)N1CCCc2ccccc21)N(C)C1CCN(CCn2cccn2)CC1 106130813 NOGSKFYPUVIHNF-LJQANCHMSA-N 395.551 2.647 0 40 GFAB COc1cc(CNC[C@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O 108880408 WPULDPMTLOXXQT-CQSZACIVSA-N 390.867 2.869 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)c2ccco2)s1 206679805 QHIDOZZWJJYNOG-UHFFFAOYSA-N 386.404 2.644 0 40 GFAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218110305 KXIVXQSPCJRQCT-PCCBWWKXSA-N 389.517 2.925 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220124025 IRKRSJXJFPLCIU-INIZCTEOSA-N 390.505 2.517 0 40 GFAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1)S(=O)(=O)CC 222390634 BBIYFJYGFRNZGX-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224792941 LSCSFOAUSOPKAS-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB COc1ccc(-c2noc(CNC(=S)Nc3ccc4c(c3)OCO4)n2)cc1 225823715 FOLBWVREPAEFMF-UHFFFAOYSA-N 384.417 2.961 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 238927611 UTXZHSRQMIRKOU-UHFFFAOYSA-N 380.404 2.642 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2ccco2)Oc2ccccc21 247475336 GXWPVYLBYOLOKN-OLMRKFRDSA-N 380.444 2.893 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)C1 260504121 CUQNYQWGBFHGQX-HKUYNNGSSA-N 396.553 2.960 0 40 GFAB O=C(c1ccco1)N1C[C@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 306144917 ZSCJDDWTPUIONU-ZWKOTPCHSA-N 379.391 2.942 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cn1 390830548 LSJMDFPOEBPSSU-INIZCTEOSA-N 394.518 2.932 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1NC(C)=O 408562334 ZBCOJSNTVLYKFF-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C)cc1 408613210 ZSEFMPYNQXRKAU-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CN(C)c1nccc(N2CCN(Cc3cccc(Br)c3)CC2)n1 533072030 QFHXXZGAQHXWGG-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB COc1ccn2c(C(=O)N3CCC[C@@H](c4ncc5n4CCCC5)C3)cnc2c1 570082558 NDOCBJXWJJVBJD-OAHLLOKOSA-N 379.464 2.896 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)c(F)c1 570946785 KGTWNXOKEGNSAW-LBPRGKRZSA-N 388.873 2.995 0 40 GFAB Cn1cc([C@@H]2CN(C(=O)c3cnn(-c4ccccc4)n3)Cc3ccccc32)cn1 575618031 DGNQEPXGKQJEOI-FQEVSTJZSA-N 384.443 2.789 0 40 GFAB COc1ccccc1C1(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)CC1 575619798 LXCCTCBAXAFXTR-UHFFFAOYSA-N 378.476 2.743 0 40 GFAB O=C(O)c1cccc(OCCN2CCN(c3ncnc4sccc34)CC2)c1 580205882 GYHWPUNUDLHYCB-UHFFFAOYSA-N 384.461 2.591 0 40 GFAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 604382152 HVCGTDMXMKDEAB-UAFMIMERSA-N 387.911 2.698 0 40 GFAB biogenic,in-vitro Cn1c(NCc2ccc(Cl)c(C(F)(F)F)c2)nc2c1c(O)nc(=O)n2C 631505480 PWQKILNEJGUWRM-UHFFFAOYSA-N 387.749 2.657 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](c4cccs4)C3)cc3c2N1CC3 828283868 WUDJWLKYIKEXBU-OAHLLOKOSA-N 388.514 2.762 0 40 GFAB CCCn1cc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615118115 AMHMCMLIQNFYFD-OAQYLSRUSA-N 386.471 2.830 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(Cc4nnc(C5CC5)o4)CC3)cnc2c1 1848747922 YSPLFHUFVQRWFY-UHFFFAOYSA-N 395.463 2.578 0 40 GFAB Brc1cnc(OC2CCN(c3cc(C4CC4)ncn3)CC2)nc1 1888844456 KLOOXDFYVAHWFG-UHFFFAOYSA-N 376.258 2.954 0 40 GFAB Cc1ccsc1CN1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771797 ZMMIJMODTMRVFX-INIZCTEOSA-N 386.443 2.923 0 40 GFAB CCS(=O)(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C)CC1 2056226656 WXRMIYIIIWNGGL-HNNXBMFYSA-N 385.555 2.508 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccs2)CC1 1463522 RNTXYSYGTCBJPC-UHFFFAOYSA-N 394.474 2.516 0 40 GFAB aggregator CCOC(=O)c1sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C(N)=O)c1C 2103116 IVJGZBNCANMHKQ-CYBMUJFWSA-N 379.265 2.855 0 40 GFAB CCc1nnc(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)s1 2662490 OUGDOPGAJPTRGM-HNNXBMFYSA-N 392.481 2.511 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccccc2NCCO)cc1Cl 3270107 NVLHNFWWNSVESX-UHFFFAOYSA-N 378.812 2.548 0 40 GFAB CC(C)CCNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3466748 MKMHMYWGKWVNPL-UHFFFAOYSA-N 379.460 2.644 0 40 GFAB O=C(NCCc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4587817 HIDJJFFTWAKZTL-FQEVSTJZSA-N 378.403 2.770 0 40 GFAB COCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 4741101 ISTBYRFCJOGTQY-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)sc1C 4983242 PNOKQDHSTLZISZ-UHFFFAOYSA-N 379.507 2.799 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 4992497 MWPJGZIMRRIFHU-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB O=C(COC(=O)CCNC(=O)c1ccco1)Nc1ccc(N2CCCCC2)cc1 6552641 UVTGZNLSWOMROT-UHFFFAOYSA-N 399.447 2.572 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 6706746 RJQWLVYBPVCZNQ-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N[C@H](C)c3ccccc3)=C2)cc1 6800274 SFUUNGFMVNEYPD-OAHLLOKOSA-N 383.473 2.736 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 7295803 VNXKXRIIYYCURO-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB O=C(Nc1cccnc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 7737246 LOEJUIJZNOWRJL-GOSISDBHSA-N 399.447 2.749 0 40 GFAB COc1ccc(N/C(C)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 9009978 YNDRRXWRUWVFCQ-AQTBWJFISA-N 395.415 2.981 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(F)c(F)c3)n2)cc1 9660846 CNWBDZFCRAPTCQ-UHFFFAOYSA-N 385.370 2.627 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCc3coc(-c4cccs4)n3)ccc2N1 10683768 WASYCAJWSNFAHB-UHFFFAOYSA-N 389.458 2.766 0 40 GFAB Cc1cc(=O)c(C(=O)NCCCc2nc3ccccc3[nH]2)nn1-c1ccccc1 11486300 VATCXMXJLVSPRP-UHFFFAOYSA-N 387.443 2.780 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(C(F)(F)F)n1C 11867719 CWDWNLQLYCZCBK-UHFFFAOYSA-N 386.399 2.914 0 40 GFAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)c3cnc(C)cn3)nn2c1O 12161765 YVEFUWLWJQTJHD-QGZVFWFLSA-N 380.452 2.772 0 40 GFAB CS(=O)(=O)c1snnc1[C@H]1CCCN(C(=O)c2occ3ccccc23)C1 12253326 NJPQJHLDKKUIPM-NSHDSACASA-N 391.474 2.708 0 40 GFAB CCOC(=O)[C@@H](OC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccccc1 12412352 DVTZOWBFORENDG-IBGZPJMESA-N 380.400 2.703 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2c(=O)[nH]cnc21 12413715 LGVSMVRZTMSFFI-UHFFFAOYSA-N 377.857 2.832 0 40 GFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCc1cccnc1 12528357 LODJTRNOXZBWMB-UHFFFAOYSA-N 395.484 2.799 0 40 GFAB Cc1ccc2c(C)cc(S[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1C 12536768 HBMVILZQPDLSKD-GJZGRUSLSA-N 392.546 2.944 0 40 GFAB CC(C)(C)C(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1cccc(F)c1 12560842 XRCDCGOGZMIJRB-UHFFFAOYSA-N 392.452 2.972 0 40 GFAB Cc1cc(N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)nc(C(C)C)n1 12783982 AYCMYLKIADTHSQ-SFHVURJKSA-N 381.524 2.735 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(C(=O)O)cc1 13166857 WVLRUDPUMRKLPP-UHFFFAOYSA-N 388.445 2.730 0 40 GFAB Cc1cccc(OCC(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 13801947 HCPWUJMQIQRDFI-UHFFFAOYSA-N 395.434 2.943 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)NCc1ccc2c(c1)OCO2 13895942 VXIXHLRFWAQPGP-INIZCTEOSA-N 382.460 2.949 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)c1C 14234519 LVJHOIHXSFGGCA-AWEZNQCLSA-N 376.453 2.970 0 40 GFAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(c2ccccn2)CC1 14241762 UINJRGRXNJPUJA-SFHVURJKSA-N 379.382 2.570 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 14784779 OBNGLLUBEOBKQB-UHFFFAOYSA-N 394.880 2.892 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)NCc3cccs3)CC2)c(F)c1 15040031 GDCOTNSUKIQODD-UHFFFAOYSA-N 375.469 2.528 0 40 GFAB CCN(CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C(=O)OC)cc1 15362009 USWURBKFTZOOBX-UHFFFAOYSA-N 390.505 2.794 0 40 GFAB C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 15497061 WFZIJGUAXRZBBI-LBPRGKRZSA-N 388.395 2.652 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)NC)c1)O[C@H](C)C2 16302709 SUQZUXIAANXYEF-GFCCVEGCSA-N 390.461 2.569 0 40 GFAB COc1ccc(CN2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 19021811 PDGYQJLCGXUTSE-SFHVURJKSA-N 393.491 2.566 0 40 GFAB COc1ccc(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 19239239 MVSBOZLTZSRSGU-UHFFFAOYSA-N 379.420 2.863 0 40 GFAB OC1C2(c3ccccc3)CN3CC1(c1ccccc1)CN(C2)C3c1cccnc1 19332152 IEPASGPMCANGSB-UHFFFAOYSA-N 383.495 2.962 0 40 GFAB O=C(CCc1ccno1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344292 SVGIIEXOABDBHH-ZDUSSCGKSA-N 384.461 2.825 0 40 GFAB CC(C)NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19450083 WTFVINFSPJBBGZ-PMACEKPBSA-N 393.535 2.817 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F)C(C)C 20719892 QJSPLSJELCNWKJ-DOTOQJQBSA-N 392.406 2.543 0 40 GFAB COc1cc(C(=O)NCC(=O)N2CCc3ccccc32)ccc1OC(F)F 21278481 SWKOCCUTQLDNSN-UHFFFAOYSA-N 376.359 2.616 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22273042 CKKNUPGATJFLDP-AWEZNQCLSA-N 394.468 2.722 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C[C@H]2CCCO2)CC1 22788328 SSHHFAUPTKILGS-RHSMWYFYSA-N 396.329 2.573 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C[C@@H](C)O1 23682439 YRIAUFZQHINFCJ-OKILXGFUSA-N 394.518 2.727 0 40 GFAB COc1ccc(CCn2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1OC 24252638 YFJHOJBVWQQBGO-UHFFFAOYSA-N 386.492 2.880 0 40 GFAB Cc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 26025253 ZZODNROXDFSWFG-MRXNPFEDSA-N 378.519 2.834 0 40 GFAB C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)NCc1cccs1 26426964 UPZFULMMCFDVOA-SNVBAGLBSA-N 388.367 2.946 0 40 GFAB COC(=O)c1ccc(CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1 30205844 OPQUWFUBWFUXFO-UHFFFAOYSA-N 393.443 2.540 0 40 GFAB CN(Cc1cccs1)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 31529361 UWJMNDWSTRKYEX-HZPDHXFCSA-N 378.494 2.689 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 32753999 BBZMQDNHPZCVEC-GFCCVEGCSA-N 399.472 2.805 0 40 GFAB COc1ccc(CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1F 32835957 FCDOINKVQKJFFX-UHFFFAOYSA-N 382.317 2.755 0 40 GFAB O=C(NCCNC(=O)c1ccccc1Cl)c1cncc(Br)c1 32914857 VTPPBOBXZSSURP-UHFFFAOYSA-N 382.645 2.657 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C(=O)OCc2cc(=O)n3ccsc3n2)C(C)C)cc1 33764367 XFCLKNCUSNCYRP-QGZVFWFLSA-N 399.472 2.562 0 40 GFAB COc1ccccc1CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 34870378 ABZFAIWLVOSLQM-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(F)cc2)NC(=O)N3C)cc1 36678929 AROMDGJNUTZQIE-FQEVSTJZSA-N 395.434 2.869 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 36700531 XOQNEWXGNLRARV-UHFFFAOYSA-N 392.444 2.704 0 40 GFAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1n[nH]c(=O)c2ccccc12 40081792 JCHLAJJQAUFANX-LJQANCHMSA-N 399.454 2.975 0 40 GFAB CCSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44938710 NZIVLTMEWXKIAT-MRXNPFEDSA-N 392.502 2.964 0 40 GFAB CN(CC(=O)Nc1ccc(SC2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 45906937 GSUUDYLMLLDTQB-HNNXBMFYSA-N 382.551 2.779 0 40 GFAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCc1cccc2cccnc12 48268320 DRIOERSOWBOMMK-UHFFFAOYSA-N 399.454 2.590 0 40 GFAB CC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51134060 PUZPWLVRRKGQGH-UHFFFAOYSA-N 394.836 2.501 0 40 GFAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 58004695 SLJOHEYHXDLAHR-LBPRGKRZSA-N 378.416 2.584 0 40 GFAB CCCCn1nc(C(=O)Nc2ccc(N3CCN(C4CC4)CC3)cc2)ccc1=O 58305337 KCPIISSBHINQGZ-UHFFFAOYSA-N 395.507 2.580 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCSCC1)[C@]1(C2)NC(=O)c2ccccc2N1 72326507 LPURDHRZANAVDU-LJQHDNKASA-N 385.533 2.940 0 40 GFAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 89689360 MICIAVGCGHOFFP-UHFFFAOYSA-N 389.883 2.844 0 40 GFAB CCOC(=O)c1cc2c(-c3ccccc3)n3nc(SC)nc3nc2n(C)c1=O 95946509 XZVGMEPWIFJKFT-UHFFFAOYSA-N 395.444 2.542 0 40 GFAB COCCN1CCCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 95993157 HLLAVBQYEWLFAG-LJQANCHMSA-N 388.556 2.674 0 40 GFAB Cc1cc(N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)n2ncnc2n1 95999467 UOFXWASZLYAPNN-GOSISDBHSA-N 389.463 2.813 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1cnc(N(C)C)nc1 96003209 LJQQZXBITMANKT-UHFFFAOYSA-N 384.871 2.962 0 40 GFAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccsc3)C[C@H]12 96058471 FXEJWHSMKKIATG-RBUKOAKNSA-N 376.547 2.926 0 40 GFAB COc1ccc(C(=O)NC[C@H]2Cn3cc(-c4ccccc4OC)nc3CO2)cc1 96112875 URKQDSREBIDJKG-KRWDZBQOSA-N 393.443 2.896 0 40 GFAB biogenic,in-vitro CN(c1ccc(F)cc1)c1ccc2ccc(C(=O)NCCN3CCOCC3)cn12 96146191 JOXWBLZNXSLXSC-UHFFFAOYSA-N 396.466 2.908 0 40 GFAB Fc1ccc(OCc2noc(CN3CCN(c4nccs4)CC3)n2)cc1 96988757 TVHZGBKXJLFTEB-UHFFFAOYSA-N 375.429 2.566 0 40 GFAB CNC(=O)[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2Br)o1 97165612 CJPLVYFBTWOVHJ-TZMCWYRMSA-N 393.285 2.894 0 40 GFAB CCNC(=O)c1cccc(CNC(=O)C2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1 101333522 IRDWQVKMOWYDJD-SFTDATJTSA-N 391.515 2.821 0 40 GFAB O=c1c(NCc2ccc(Cl)cc2)c(N2CCN(c3ccccc3)CC2)c1=O 101711309 VNACRYMDXJVLPO-UHFFFAOYSA-N 381.863 2.875 0 40 GFAB CCCC[Sn]1(CCCC)OC[C@H](CN2CCOCC2)O1 195998299 ZGBONOUZBPJZFF-QTPLPEIMSA-N 392.128 2.776 0 40 GFAB Cc1cccc(CNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220111166 ZRFREMAVWSRXDW-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 224040980 RBTOCPLGEFCUII-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(SC)cc2)c1 224978997 WMRDAVCFIRPZGD-UHFFFAOYSA-N 397.474 2.706 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N[C@H]1C[C@H]2C(=O)Nc3ccccc3N2C1 225628835 AWARQKKFKPSNKY-BBRMVZONSA-N 393.472 2.572 0 40 GFAB COc1ncccc1CN1CC2(C[C@@H](OCc3csc(C)n3)CCO2)C1 248002859 CTSVZYOZMRNBDU-KRWDZBQOSA-N 375.494 2.805 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@H](OC)c1cc2ccccc2o1 253471967 HFKBKRQLURCZSV-AWEZNQCLSA-N 395.458 2.947 0 40 GFAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)cc1 257235530 GYFMRBIAXJFTCD-QAQDUYKDSA-N 379.464 2.766 0 40 GFAB Cc1ccc(C(=O)N[C@H]2CCN(c3ncc(C)cn3)C[C@@H]2c2cnn(C)c2)cc1 306124027 BDKWKNVRIBFNJF-UXHICEINSA-N 390.491 2.619 0 40 GFAB O=C(Cc1cccs1)NC[C@H]1CCc2ncc(C(=O)NCc3ccccc3)n21 306125098 CGXLAZSIFXXBAT-MRXNPFEDSA-N 394.500 2.721 0 40 GFAB Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3cccnc3)CC2)cc1 306130892 JSCVDBYVNKJYJW-UHFFFAOYSA-N 387.487 2.946 0 40 GFAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 306134794 NYGNJMBTRGPDDZ-UHFFFAOYSA-N 395.438 2.754 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nccnc2-c2ccco2)cc1Cl 390830822 NRWRKVCIOMWLHX-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCO2 408705394 DWAMLRWQWCXJFN-UHFFFAOYSA-N 396.852 2.864 0 40 GFAB NC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 408749358 GCURYRFORSZNNA-QWRGUYRKSA-N 393.490 2.703 0 40 GFAB CCc1ccc([C@H]2CN(C(=O)Cn3cc(-c4ccccc4)nn3)CCN2)cc1 505460332 MRSVHSKPPRVDES-HXUWFJFHSA-N 375.476 2.681 0 40 GFAB O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cnn2c1CCC2 574010111 AOTOXILVENCKLT-NSHDSACASA-N 399.804 2.905 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cc2ccccc2o1 575621759 SYWIGHQKFREJCQ-QGZVFWFLSA-N 386.473 2.949 0 40 GFAB CN1CCN(c2ccnc(-c3noc(COC(C)(C)C(F)(F)F)n3)c2)CC1 585084189 GRYPCURKGCIWIG-UHFFFAOYSA-N 385.390 2.741 0 40 GFAB O=C(N1CCO[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1)C1(F)CCC1 585113218 JLPHJSXSALMFHF-MRXNPFEDSA-N 381.411 2.583 0 40 GFAB COC(=O)CCN(Cc1ccncc1)C(=O)Cn1ccc2cc(OC)ccc21 610654167 PIDMUKVOVWPJAJ-UHFFFAOYSA-N 381.432 2.637 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CN)C2)n1 627001768 JPEPUTAVCQSPHE-CVEARBPZSA-N 395.429 2.849 0 40 GFAB CO[C@]1(C(=O)O)CCN(C(=O)c2cc3c(C)c(Br)ccc3[nH]2)C1 630256110 QMZVYBTYVITIEW-MRXNPFEDSA-N 381.226 2.555 0 40 GFAB O=C(c1cccc(C(F)(F)F)c1)N1CCCc2cnc(N3CCOCC3)nc21 675007593 SDSJSZOYDWMEOB-UHFFFAOYSA-N 392.381 2.925 0 40 GFAB CC(C)N1CCC(N2C(=O)O[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]32)CC1 1615592787 VAAFLXBRHZHDGW-MOPGFXCFSA-N 379.451 2.843 0 40 GFAB CN(Cc1nnc(C2CC2)o1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775970325 BOGJSZAYWFXUTM-UHFFFAOYSA-N 380.427 2.864 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775996161 YBWQAINLROQXNC-LBPRGKRZSA-N 395.257 2.775 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1 1888873319 AKIMPIGMUHOFAM-UHFFFAOYSA-N 390.413 2.978 0 40 GFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccccc2Cl)nn1 1888879631 SHMQNYOJBFQVRG-YIONKMFJSA-N 396.900 2.635 0 40 GFAB CCn1cc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037989112 WAHIWKYLROQDCV-OAQYLSRUSA-N 386.471 2.830 0 40 GFAB O=C(COc1cccc(Br)c1)N[C@@H](O)C(Cl)(Cl)Cl 11917672 YHFMCHDGGUQNDO-VIFPVBQESA-N 377.449 2.633 0 40 GFAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(OC)c(Cl)c2)c1 2640977 XMCYKOIJTMTVFR-UHFFFAOYSA-N 378.812 2.734 0 40 GFAB C[C@@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 97102680 DRAJZGYLUVQRGO-RDTXWAMCSA-N 384.480 2.671 0 40 GFAB CCCOc1ccc(C(=O)CCC(=O)NCC(C)(C)N2CCOCC2)cc1 21910991 HEVUYFJVZRQDHL-UHFFFAOYSA-N 376.497 2.665 0 40 GFAB CO[C@@H](C)c1noc(CCC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 79016243 FUCUOWAZKCCCDG-WFASDCNBSA-N 379.844 2.963 0 40 GFAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 33233559 WSDVGCBBPIBCOG-CQSZACIVSA-N 375.444 2.990 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)c1C 3400904 GKTDLGJANOUESI-QMMMGPOBSA-N 390.387 2.929 0 40 GFAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 3529403 FKZNLMAIPUUYNV-UHFFFAOYSA-N 395.390 2.535 0 40 GFAB COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=NNN32)cc1OCc1ccccc1 4177060 SWDFCZMTKLVJED-SFHVURJKSA-N 392.419 2.632 0 40 GFAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505284 CRMBCEGVRICICD-KRWDZBQOSA-N 381.519 2.674 0 40 GFAB O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)OCc1cccc2c1OCO2 4538670 RSZMZRCQYCCFEF-UHFFFAOYSA-N 389.363 2.908 0 40 GFAB Cc1sc2ncn(CC(=O)O[C@@H](C(=O)NC(C)(C)C)C(C)C)c(=O)c2c1C 4982336 GAQXSRPICFOKBV-OAHLLOKOSA-N 393.509 2.557 0 40 GFAB CCOc1cc(Br)c([C@H]2CC(=O)Nc3ncnn32)cc1OCC 6207162 KNTIPBJKQVFCFF-LLVKDONJSA-N 381.230 2.770 0 40 GFAB CCCn1c(=O)n(CCC(=O)Nc2cnc3c(c2)c(C)nn3C)c2ccccc21 22473076 MQBXISSTIFUCAL-UHFFFAOYSA-N 392.463 2.832 0 40 GFAB CCCN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 22745262 AHXQPINBGSIBDT-HNNXBMFYSA-N 378.469 2.931 0 40 GFAB CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(C(=O)OC)Nc3nnnn32)cc1 10232417 MOXPKVUKIQRVCZ-MRXNPFEDSA-N 395.444 2.622 0 40 GFAB O=C(NC1CC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693396 CGFMWMPRZMLEAR-UHFFFAOYSA-N 391.320 2.814 0 40 GFAB COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)NCc1ccccc1 8476236 NDMHSYCRCHENJP-UHFFFAOYSA-N 390.505 2.950 0 40 GFAB CCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104676615 VMMDKAAJYORDLQ-ORIJERBGSA-N 386.521 2.844 0 40 GFAB COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]c2nc4ccccc4n32)c(OC)c1 12323984 BUDYWEBGQJETKH-ZDUSSCGKSA-N 390.399 2.667 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCc2c(NS(C)(=O)=O)cccc21 52992721 ZGNNUFDDFCPVOG-GDBMZVCRSA-N 379.526 2.506 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cc1cc(C(C)=O)ccc1OC)c1cccs1 25083340 MOODTOZZSXYOOY-OAHLLOKOSA-N 375.446 2.922 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1nc(-c2ccsc2)no1 12557166 CCLLQPKPQGITDG-UHFFFAOYSA-N 379.419 2.527 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1 12563557 LDUBTQIFVBGAMK-CYBMUJFWSA-N 380.448 2.993 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 12547297 FKZQGEXUMHNGPM-KRWDZBQOSA-N 375.425 2.636 0 40 GFAB Cc1c(C(=O)NCc2cccnc2N(C)C)nnn1-c1ccc(F)c(Cl)c1 108776365 AOENUSASJXFZSG-UHFFFAOYSA-N 388.834 2.759 0 40 GFAB O=C(CSc1nccn1C1CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 12506541 ZJBJOCBINBPQLV-UHFFFAOYSA-N 387.433 2.945 0 40 GFAB Cc1nn(Cn2ccc(C(=O)N3CCC(C)CC3)n2)c(C)c1Br 27973700 SRHLIRFOXIBLOI-UHFFFAOYSA-N 380.290 2.837 0 40 GFAB Cc1ccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1-n1cnnn1 25147867 ZGPZCEBQYMHZLH-UHFFFAOYSA-N 377.408 2.507 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC(=S)N2CCCC[C@@H]2C)cc1 3262433 MTGREGDVANIKQR-AWEZNQCLSA-N 397.566 2.606 0 40 GFAB COc1cc(NC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)ccc1N1CCCC1=O 72311429 XKWMOIAVXHCZKD-CVEARBPZSA-N 383.452 2.934 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 12630772 DEFJUNJSAPPVJP-UHFFFAOYSA-N 376.463 2.776 0 40 GFAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2cccnc2)OC(N2CCCCC2)=N1 2317044 LPIWIHWQKBLURN-MRXNPFEDSA-N 384.358 2.522 0 40 GFAB C[C@@H](Sc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)c1cccc(F)c1 48364751 GMXYFLDDLYEQML-IUODEOHRSA-N 378.473 2.867 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 12800756 PCJKVFLHXXJUCZ-UHFFFAOYSA-N 380.400 2.683 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 12878718 LNEFUUJVDABRPZ-UHFFFAOYSA-N 382.485 2.748 0 40 GFAB CCCCn1c(S[C@H](C)C(=O)NC(=O)NCC)nc2ccccc2c1=O 3521689 XORBOJLBQYJZPM-GFCCVEGCSA-N 376.482 2.523 0 40 GFAB NC(=O)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCCC4)c1=O 8992196 KCPHLUIQQBVOBK-UHFFFAOYSA-N 380.429 2.630 0 40 GFAB CC1(C)CN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1(C)C 72311968 NTKCFFRYCVXUOA-UHFFFAOYSA-N 375.538 2.935 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2ccc(Br)cc2)c1 5061430 UVXQTMSZWDIXTF-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB CSc1ncc(Cl)c(C(=O)NCc2ccccc2CN2CCOCC2)n1 39555798 MEDWLBPTTLFZDR-UHFFFAOYSA-N 392.912 2.614 0 40 GFAB O=C(Cc1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2)CC1 5173291 YCYAJWLXTWFWHF-UHFFFAOYSA-N 387.277 2.976 0 40 GFAB CCC(CC)NC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 14085004 IILJHJRUECRLFF-INIZCTEOSA-N 395.573 2.844 0 40 GFAB CCOc1cc(/C=C/C(=O)OCC(=O)NC[C@H]2CCCO2)cc(Cl)c1OC 5367911 DDOQAPOCOQRWSP-PSKZRQQASA-N 397.855 2.599 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccccc1)OCC3 5346595 JZRHSJKXOHJEHO-NRFANRHFSA-N 387.439 2.825 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 6651552 UVEFKBXHYNOFSA-HXUWFJFHSA-N 398.422 2.958 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 20459342 MMUCPWIPPUCNIH-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccn3C)cc2)CC1 9220367 CBIZLLQIRZIZMA-JOCHJYFZSA-N 395.551 2.943 0 40 GFAB COc1ccc(-c2nc([C@H]3CN(C(=O)Cc4ccc(C)nc4)CCO3)no2)cc1 96000884 RAJAZHCRVLBHMN-GOSISDBHSA-N 394.431 2.591 0 40 GFAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 16695092 YCSAADCBDVVPCD-IBGZPJMESA-N 393.487 2.977 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2c[nH]c3ccccc23)C1=O 8158152 WRSJAFNXVUNOGP-OAQYLSRUSA-N 376.416 2.599 0 40 GFAB Cc1nc(SCC(N)=O)nc(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 8118141 LGFGMXSVBXGZTK-UHFFFAOYSA-N 384.505 2.731 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc2c(c1)OCC(=O)N2 16777979 HPEWGAAAGIAIAU-UHFFFAOYSA-N 390.443 2.809 0 40 GFAB O=C(c1ccc(N2C(=O)c3cnncc3C2=O)cc1)N1CC[C@@H](c2ccccc2)C1 408976483 RNRULUMVTFECRM-QGZVFWFLSA-N 398.422 2.907 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N[C@@H]1CCCc2ccccc21 9588405 LLERFNFPZICZDC-GOSISDBHSA-N 394.500 2.906 0 40 GFAB Cn1c(CCC(=O)Nc2ccc3c(c2)OCCCO3)nc2ccccc2c1=O 9712307 BDZQWIGSLYRKGV-UHFFFAOYSA-N 379.416 2.666 0 40 GFAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 95349762 HMAOSAKWFKAAGI-JCGIZDLHSA-N 387.480 2.647 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 95458409 ZQTIFFGHIGDMNJ-DLBZAZTESA-N 399.499 2.749 0 40 GFAB CNC(=O)c1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 95451753 OHKOAUSNPUQTCC-UXHICEINSA-N 387.911 2.861 0 40 GFAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408550198 BGFIUVPOECERIK-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB C[C@H]1CN(Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C[C@@H](C)O1 25512007 ZBFLMORNTCRUDU-BETUJISGSA-N 398.488 2.846 0 40 GFAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCN2CCOCC2)cc1 408679317 VWZMWGVIWMORDN-UHFFFAOYSA-N 391.471 2.546 0 40 GFAB COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)CCCc2ccc3nc(O)[nH]c3c2)c1 504114141 ASWNRVKRKHEOKW-UZLBHIALSA-N 395.459 2.934 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 504268149 SQJFPBQPHGBKIT-BULFRSBZSA-N 388.508 3.000 0 40 GFAB biogenic CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c2C1 556773782 SAMZDVAOFITZJN-CXAGYDPISA-N 394.397 2.615 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1Cl 32472137 QRGCJLAZPOLOKG-UHFFFAOYSA-N 388.917 2.664 0 40 GFAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2 35315655 PMSVJCFHGSMZLK-VSOVRNOCSA-N 380.444 2.868 0 40 GFAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CN(C(=O)c2cnccn2)C1 70808804 RGBXSWHVVKTOOZ-UHFFFAOYSA-N 384.745 2.860 0 40 GFAB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N=C2O)cc1)Nc1ccc(F)cc1 33599858 HAAZBFZLRSIFNP-UHFFFAOYSA-N 399.403 2.598 0 40 GFAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Br)cc2)cc1OC 72227275 CHECZOLRODREAC-HOTGVXAUSA-N 377.238 2.882 0 40 GFAB CC[C@H](C(=O)NCCOCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 224298251 HXLBVEGNBDGMRZ-LJQANCHMSA-N 390.505 2.564 0 40 GFAB O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CCN(c2ccc(F)cc2)CC1 225752052 NLZXLHREYLHLLZ-UHFFFAOYSA-N 383.398 2.629 0 40 GFAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 223922893 IAJRTKKIDLYRCY-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 225560789 XGJNDYYERJBEFH-IBGZPJMESA-N 388.489 2.589 0 40 GFAB O=C(CCc1ccc(C(F)(F)F)cc1)NCCCc1cnc2ncnn2c1 225643623 AKTHSXUONNTWSD-UHFFFAOYSA-N 377.370 2.825 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(Cl)cc2)ccc1C 225113308 IPYZKQHLVXVOTI-UHFFFAOYSA-N 383.853 2.792 0 40 GFAB CC(=O)Nc1ccc(CN2C[C@H](OCc3nc4cnccc4[nH]3)[C@H](F)C2)cc1 96112127 PXKKCFDQPGUEOB-APWZRJJASA-N 383.427 2.655 0 40 GFAB biogenic,in-vitro Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@H](c1ccc[nH]c1=O)SCC(O)=N2 95473693 KRYYPSYICWWYND-MRXNPFEDSA-N 396.428 2.991 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)N1CC[C@H](c2nc[nH]n2)C1 581485242 FAZMLDFTUATIDI-ZETCQYMHSA-N 394.363 2.757 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCCN2CCCC2)[C@@H]1c1ccccc1F 257240808 HVGZLRANTQETJB-XLIONFOSSA-N 375.488 2.727 0 40 GFAB CCOc1cccc([C@@H](O)CN(C)C(=O)c2sc3ncnc(O)c3c2C)c1 257287110 POOMDOHKOAEGIT-AWEZNQCLSA-N 387.461 2.910 0 40 GFAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(Cc3ccccn3)CCN21 253401491 NBENSUYQJGUUAQ-SFHVURJKSA-N 382.483 2.642 0 40 GFAB biogenic,in-vitro Cc1cc(C(=O)Nc2c(C)nn(CCC(=O)O)c2C)c2cnn(C(C)C)c2n1 630332487 ZOHWIQKAPADIOI-UHFFFAOYSA-N 384.440 2.861 0 40 GFAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 635741089 BIVZTTDHRHXLDY-KRWDZBQOSA-N 396.495 2.621 0 40 GFAB O=C(Cn1cc(C2CCNCC2)nn1)Nc1ccc2c(c1)OC1(CCCCC1)O2 640854928 QCVLVYRIRJMPQX-UHFFFAOYSA-N 397.479 2.815 0 40 GFAB CC(C)O[C@]1(Cn2nnc(Cc3cccc(Br)c3)n2)CCOC1 657254440 AVOHJHIACZHBJW-INIZCTEOSA-N 381.274 2.611 0 40 GFAB O=S(=O)([C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nnc3n2CCCC3)CC1 1616028935 MDHXJWVXWWZKRW-MSOLQXFVSA-N 386.521 2.680 0 40 GFAB FC(F)(F)c1cnc(N2CCN(c3ccncn3)CC2)c(Br)c1 1150784681 ALGUICHIGAZTDF-UHFFFAOYSA-N 388.191 2.980 0 40 GFAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 36741194 DQYBXDIXNQUYHG-QHCPKHFHSA-N 397.494 2.980 0 40 GFAB CCC(C)(C)C1CCC(NC(=O)CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 72311153 NQUKYHRHFGWDLZ-WSNMIEGMSA-N 380.554 2.980 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 14607411 VJMHLJULSQVBJT-XHDPSFHLSA-N 399.274 2.900 0 40 GFAB CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16035146 PMXNPLWTXQBJAZ-FUMNGEBKSA-N 376.387 2.930 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)[C@@H]3CCCO3)CC2)C1 19019877 ADRNTUJXKSHVGU-JGBTYHIZSA-N 386.492 2.746 0 40 GFAB CN(C(=O)c1nnc(O)c2ccccc12)c1nc2c(s1)CCc1c-2cnn1C 19289550 IKADEOXQMQXLMW-UHFFFAOYSA-N 392.444 2.568 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 19705765 DKYAIAFQZWRUKJ-UHFFFAOYSA-N 395.507 2.816 0 40 GFAB Cc1c(NC(=O)c2ccc(Cn3cnnn3)cc2)cccc1C(=O)N1CCCC1 19714818 HRFDVFSLCWOOIW-UHFFFAOYSA-N 390.447 2.518 0 40 GFAB CC(C)Cc1nc2ccccc2n1CC(=O)NCc1nnc2n1CCCCC2 19719126 RUVZEUDMFSDZHM-UHFFFAOYSA-N 380.496 2.869 0 40 GFAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)NCc1ccccc1 19819203 IICQKUSBNTVJJG-GOSISDBHSA-N 396.418 2.942 0 40 GFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)ccc1O 8267989 HUXQWDHRRAEQKN-KPENOIPVSA-N 390.461 2.838 0 40 GFAB CC(C)C[C@H](NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1)c1cccs1 644327081 FWNUDWWNUANMAV-KXBFYZLASA-N 381.542 2.850 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(C)noc2C)c1 5512752 DNZBQOFNSTZZLG-UHFFFAOYSA-N 381.454 2.583 0 40 GFAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3ccc(F)cc3F)cnc21 4479023 PIVMADSPHNAPCB-UHFFFAOYSA-N 395.369 2.808 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCc2ccccc2C1 7458773 RZVZBASGSRQOML-UHFFFAOYSA-N 379.391 2.579 0 40 GFAB COc1cccc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 10251980 WWKNGSPVSCCDLE-UHFFFAOYSA-N 389.415 2.592 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1)c1cccnc1 2055781418 BZGNOELYMCBBAV-INIZCTEOSA-N 397.429 2.618 0 40 GFAB O=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCN(C2CCCCC2)CC1 49026148 BMXBEOFLTURQKM-UHFFFAOYSA-N 388.487 2.545 0 40 GFAB O=C(NCCn1nc(C2CC2)cc1C1CC1)[C@H]1CC(=O)N(c2ccccc2)C1 585300048 IDHCKTZGJQENDY-KRWDZBQOSA-N 378.476 2.807 0 40 GFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(F)cc3)ccc12 2712217 GZEVMZKXDBTXRP-UHFFFAOYSA-N 398.390 2.721 0 40 GFAB Cc1ccccc1OCCC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19237392 VBZJSPXIARWELM-QGZVFWFLSA-N 380.492 2.606 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 23530521 AECFXJPUKZUYRJ-CQSZACIVSA-N 381.432 2.638 0 40 GFAB CC(=O)N1CCCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 24710695 DXZPCLOCHKYAAX-UHFFFAOYSA-N 379.309 2.853 0 40 GFAB c1ccc2c(N3CCN(C[C@@H]4CCCO4)CC3)nc(-c3ccncc3)nc2c1 40040262 VQTLPVMXVGFPTM-SFHVURJKSA-N 375.476 2.993 0 40 GFAB CSc1nn(CCN(C)C)c2nc3sc4c(c3c(=O)n12)CCCCC4 40266641 HPUBPFSAYIGWFO-UHFFFAOYSA-N 377.539 2.658 0 40 GFAB COc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)CN(C)CC4 20566903 HSHPERDARRBTGN-UHFFFAOYSA-N 381.461 2.915 0 40 GFAB Cc1noc(C)c1COc1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1 32971737 PEATUMASJHNBCN-UHFFFAOYSA-N 387.480 2.711 0 40 GFAB O=C(CN1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1)Nc1ccccc1 32904627 YODZIGLFTLEKOK-UHFFFAOYSA-N 391.515 2.937 0 40 GFAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 71892828 LWKQOYKQNAJTCN-LBPRGKRZSA-N 394.855 2.605 0 40 GFAB Cc1ccc(C)c(NC(=O)COc2cccc([C@H]3CC(=O)Nc4ncnn43)c2)c1 6282011 JAPHOSFYANFWSB-GOSISDBHSA-N 391.431 2.844 0 40 GFAB COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 6599895 FCMLHEIJXQRQHW-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S 6963663 CSCUOMOTZWCCLN-GDNBJRDFSA-N 376.503 2.969 0 40 GFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cc(C)cc(C)c2)c1 7389238 RUCNSJJXXAGOQQ-UHFFFAOYSA-N 398.459 2.944 0 40 GFAB CCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 12374045 WQQHKTKLESTPQZ-OAHLLOKOSA-N 395.507 2.903 0 40 GFAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2ccccc2Cl)NC(=O)N3)cc1 12345548 WTEDNZCFFPFXLC-SFHVURJKSA-N 383.835 2.999 0 40 GFAB CCC[C@H](C)NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10325344 PTOPKWSVTXXUJP-RYUDHWBXSA-N 376.906 2.808 0 40 GFAB Cc1cc(O)c(-c2ccnc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c23)c(=O)o1 102273543 HKIDXLUQTCHARQ-QWRGUYRKSA-N 382.420 2.720 0 40 GFAB COc1ccc(CN(C)C(=O)CSc2nnnn2C2CCCC2)cc1OC 8544744 SIYBKFONYXDMJK-UHFFFAOYSA-N 391.497 2.556 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCc2ccccc2C1 22959050 OFXRPYLVSLATDV-MRXNPFEDSA-N 397.504 2.563 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@H]3Cc3ccccc3)ccc21 23198176 CMPKXYPUAULAHA-KRWDZBQOSA-N 377.444 2.557 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccccc2F)N2NC(c3ccccc3Cl)=NC2=N1 940687 NBKCKEWOTFHHIY-MRXNPFEDSA-N 383.814 2.916 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3=NCCS3)cc2)c1 12552121 DQVAJXKZRWCPPX-UHFFFAOYSA-N 389.502 2.937 0 40 GFAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccc(O)cc2C1 54506958 BPCLENVHUHETBV-UHFFFAOYSA-N 394.880 2.587 0 40 GFAB COc1ccccc1[C@H]1c2c(-c3ccc(F)cc3)nnc(O)c2Nc2nnnn21 9202036 WSUAIUMSEAVYJU-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB O=c1/c(=C\c2cccnc2)sc2nc(-c3ccc(Br)cc3)nn12 1135713 CEPOPXCADDSITC-MDWZMJQESA-N 385.246 2.523 0 40 GFAB COc1cc(NC(=O)N2CCN(Cc3ccco3)CC2)cc(OC)c1OC 43170289 DHBZDNMDBJKZDT-UHFFFAOYSA-N 375.425 2.655 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 106088442 MWMJLELXHZSIGT-FUHIMQAGSA-N 387.524 2.902 0 40 GFAB CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc2ccccc2c1)C1CC1 72054910 JNYHRRCFEKSVBK-QGZVFWFLSA-N 376.503 2.524 0 40 GFAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)C[C@@H](C)O1 100180440 PEKCVDRHCOETBZ-JWKADXJFSA-N 384.476 2.577 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc3c(c1)OCCO3)C2=O 12568140 KVYSCHZEAFPJKL-UHFFFAOYSA-N 387.480 2.738 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 25225830 SPKPOIIYFSIADW-GFCCVEGCSA-N 385.449 2.989 0 40 GFAB COc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc2c1OCO2 100148984 VFDMEHRACQXZFG-IRXDYDNUSA-N 382.460 2.939 0 40 GFAB CCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2ccccc2c(=O)[nH]1 25499899 XQOFSJJIOLDCIA-UHFFFAOYSA-N 390.365 2.801 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 20025191 ZGONKFPWVXTNKN-GFCCVEGCSA-N 378.450 2.702 0 40 GFAB O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 108358523 BRKODXKTUZABBD-FPMFFAJLSA-N 375.812 2.817 0 40 GFAB CCOc1ncccc1NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 48202196 AFGXPJJQNKZYBA-INIZCTEOSA-N 389.525 2.652 0 40 GFAB CN(C)CCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 3378624 OCBCIUJQZGVOSD-UHFFFAOYSA-N 395.912 2.822 0 40 GFAB CCCCNC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 36386381 LCNRWAOAJXILFI-UHFFFAOYSA-N 377.554 2.691 0 40 GFAB COc1cccc(Cn2cc(NC(=O)c3cc(C(F)(F)F)nn3C)cn2)c1 28239313 MUGFMKIXHMWMRM-UHFFFAOYSA-N 379.342 2.945 0 40 GFAB Nn1c(SC[C@H](O)COc2ccc3ccccc3c2)nnc1C(F)(F)F 11239819 JFAWQGLDLILSGL-GFCCVEGCSA-N 384.383 2.696 0 40 GFAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)ccc1N1CCCC1 11325874 PGBXCBRMUCGVGY-UHFFFAOYSA-N 393.534 2.916 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113956631 BTYYDZLNRFPVHG-CYBMUJFWSA-N 382.432 2.744 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2=NCCS2)ccc1F 12766666 GTIQYJHYVRPPHA-UHFFFAOYSA-N 393.465 2.768 0 40 GFAB O=C(NCCCn1ccc2ccccc21)[C@@H]1CC(=O)N(Cc2ccccn2)C1 46025147 VCUWVPATUAKDIR-GOSISDBHSA-N 376.460 2.591 0 40 GFAB CCOC(=O)CCN(CC1CC1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 60215293 OFGGTKKVAYIGAY-OAHLLOKOSA-N 392.883 2.885 0 40 GFAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1cccc2nsnc12 19078126 KKTYBJKONXQLIW-UHFFFAOYSA-N 381.446 2.946 0 40 GFAB O=C(CN1CCCc2ccccc21)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 13061868 GPVHHXDSUVLOSC-IBGZPJMESA-N 390.549 2.788 0 40 GFAB CC1(C)OC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)O1 4000042 JVJHSMWQAIAXHW-LJQANCHMSA-N 392.455 2.760 0 40 GFAB biogenic CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 4329001 OCOJMNWPZSFHNH-CYBMUJFWSA-N 385.420 2.977 0 40 GFAB COc1ccc([C@H]2N=C(N3CCc4ccccc43)Nc3nc(C)cc(=O)n32)cc1 4412637 NJBOEMAVGHZSAP-FQEVSTJZSA-N 387.443 2.951 0 40 GFAB COc1ccc(S(=O)(=O)CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4546456 OASWNFIEFPYKMO-UHFFFAOYSA-N 377.506 2.944 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 6558278 BHKBRMXPIXIFPN-BQYQJAHWSA-N 381.413 2.590 0 40 GFAB COc1cccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1 6650737 IHVHQNJFINPMGP-UHFFFAOYSA-N 383.473 2.993 0 40 GFAB COC(=O)CNC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 5624451 UDUGYCSITNVSLB-UHFFFAOYSA-N 380.495 2.786 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1cccc2cccnc12 14811618 RONPMNDBODDCMW-VOTSOKGWSA-N 381.413 2.590 0 40 GFAB Cc1cccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1C 6810403 MCZCKWQHPWVGRH-IAGOWNOFSA-N 391.489 2.880 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)CCc1nnc(-c2ccccc2)o1 9336772 DEKFGBBQERGISG-UHFFFAOYSA-N 378.432 2.987 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccncc2)N1Cc1ccccc1 9422050 YBIPUPJGXZPJHT-PZJWPPBQSA-N 380.469 2.931 0 40 GFAB C[C@H](OC(=O)c1cnn(-c2ccccc2)n1)C(=O)NC[C@H](C)c1ccccc1 7786367 KSYCATYXPXWAOL-HOTGVXAUSA-N 378.432 2.733 0 40 GFAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 8058214 CKRRKOISRNJQKQ-UHFFFAOYSA-N 386.473 2.933 0 40 GFAB COc1cc(C(=O)Nc2ccc(Cl)cc2C)cc(OC)c1OCC(N)=O 8113437 UONBHBPWPJMROC-UHFFFAOYSA-N 378.812 2.782 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c(C)c1C 18013528 APKIIHGYAAWYFJ-KPZWWZAWSA-N 378.538 2.718 0 40 GFAB COCCn1ncc2ccc(NC(=O)c3cc(OC)c(OC)cc3OC)cc21 69926025 GHXMLTQHQZXZFJ-UHFFFAOYSA-N 385.420 2.961 0 40 GFAB COc1ccc(-c2cc3ncnc(N(C)[C@H]4CCS(=O)(=O)C4)c3s2)cc1 9576179 FAOBKDOTSYEFBD-ZDUSSCGKSA-N 389.502 2.990 0 40 GFAB CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 26438980 BAGBUJVOVVZUBA-LJQANCHMSA-N 377.496 2.735 0 40 GFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1 56907572 JEKDTULQDHIYOI-UHFFFAOYSA-N 397.500 2.914 0 40 GFAB CC(=O)O[C@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1 22047288 OKAAPNNOKHRHLI-IPMKNSEASA-N 384.384 2.747 0 40 GFAB in-vitro CC1(N2CCOCC2)CCC(NC(=O)c2cccnc2N2CCCCC2)CC1 1551156358 UNOHWAKEDFAPDM-UHFFFAOYSA-N 386.540 2.835 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)O2 38853508 FWUCKTJBSMQXQR-INIZCTEOSA-N 398.843 2.953 0 40 GFAB NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21 512220685 FCMOFXLOQCWSRA-UHFFFAOYSA-N 399.838 2.563 0 40 GFAB CC(=O)N1CC[C@H](NC(=O)Nc2cccc3c2CCNC3=O)c2ccccc21 515521720 JDMHEEIJJJYYGO-SFHVURJKSA-N 378.432 2.592 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347955 NKLXJKPKDPHRDV-CYBMUJFWSA-N 392.385 2.969 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 223618737 ORWKKKMKBNMOJI-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB O=C1CC[C@@H](c2cccc(NC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)c2)N1 568608634 QGIIVCINPOAGTC-ZWKOTPCHSA-N 378.432 2.565 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)s1 225711963 LLKGHSGXNMBAQV-GOSISDBHSA-N 381.519 2.822 0 40 GFAB COc1ccc2c(Cn3ncc4ccc(OC)c(OC)c4c3=O)cc(=O)oc2c1 40312822 JYMTYDBGEDILNT-UHFFFAOYSA-N 394.383 2.577 0 40 GFAB biogenic COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1 225017699 VAZMATLJEJGSDL-UHFFFAOYSA-N 382.869 2.986 0 40 GFAB CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225099235 YSIZUQHCRZUVEQ-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCC(=O)O)c1ccc(OCc2ccccc2)cc1 199412717 TYVFIUSSPNTCLB-GOSISDBHSA-N 385.416 2.851 0 40 GFAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96242357 DGHZBCROZJBITL-MRXNPFEDSA-N 378.538 2.726 0 40 GFAB CN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cnn(C)c1)CC2 96036980 LYFFPKXXIIDHMV-UHFFFAOYSA-N 376.508 2.720 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)c1 96243496 ABWFZEFOMLXXPS-UHFFFAOYSA-N 391.475 2.870 0 40 GFAB COC(=O)c1ccc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)cc1 253399399 JBAXQYVFJIVMRJ-UHFFFAOYSA-N 393.428 2.569 0 40 GFAB CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)on1 257338357 YXACHKOYLAPQNG-YJBOKZPZSA-N 385.464 2.658 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1ccccc1C 257260472 LCZQNBPAIPZTQK-NQIIRXRSSA-N 380.492 2.918 0 40 GFAB CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(c4ccncn4)C3)ccc2c1N 257211375 BYQCUAYDGLQRCG-HXUWFJFHSA-N 396.520 2.928 0 40 GFAB CC1(C)[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1c1ccccc1 625351251 FCKGQBGCSKHMII-IRXDYDNUSA-N 379.503 2.561 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](O)(c1ccoc1)c1ccco1 390827016 SEFOOCMFVJIZPN-IBGZPJMESA-N 391.445 2.712 0 40 GFAB O=C1CCCN1c1cncc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 585150241 HVVJJVGEMBRIPI-UHFFFAOYSA-N 385.489 2.566 0 40 GFAB COCCNC(=O)c1c(C(F)(F)F)nn([C@@H]2CCCN(C(C)C)C2)c1C 36704514 CKKIDAPKGZIMNW-CYBMUJFWSA-N 376.423 2.632 0 40 GFAB CC(C)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 48324969 RKHALQQWGTYVAA-SFHVURJKSA-N 379.416 2.821 0 40 GFAB COc1ccc(C2(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)CC2)cc1 72347917 KYHNTYKMSYXXRO-UHFFFAOYSA-N 389.455 2.522 0 40 GFAB CSc1ccc(/C=c2/s/c(=C\C(=O)c3ccccc3C)n(C)c2=O)cc1 96766046 LGIREJKDLSENQN-JFUXKBHTSA-N 381.522 2.969 0 40 GFAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccccn2)CC1 89396284 OBZDKJMWXMCYGP-KRWDZBQOSA-N 388.855 2.799 0 40 GFAB O=C(Cc1cccs1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615120072 KCZVCSXLOMSCIQ-UHFFFAOYSA-N 388.464 2.854 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615161690 ZZLOUJRDMIKGTQ-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB Oc1nc(-c2ccccn2)nc2c1CN(Cc1cccn1-c1ccccn1)CC2 12122789 HCBKWVGDMLJBIR-UHFFFAOYSA-N 384.443 2.988 0 40 GFAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1ccc(Cn2cccn2)o1 12183244 ZPUHSFWXOOANPO-KRWDZBQOSA-N 378.436 2.724 0 40 GFAB O=C(c1cnc(N2CCCCC2)nc1)N(CCO)[C@@H]1CCCc2ccccc21 19375307 IJACIQCAQUTHBQ-HXUWFJFHSA-N 380.492 2.979 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)n1 19572834 OHJCCJNDANRXCJ-MSOLQXFVSA-N 396.539 2.635 0 40 GFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)c1cccc(OC)c1)CC2 19711446 HFAYJWWKWYVXQX-MRXNPFEDSA-N 395.507 2.535 0 40 GFAB COc1ccc(OC[C@@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1 19931763 XTTBBGCRMWGMOA-QGZVFWFLSA-N 384.476 2.725 0 40 GFAB C=CCOc1ccccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 6228893 XIVUOBVUKSTSSA-PTNGSMBKSA-N 382.372 2.724 0 40 GFAB CCn1ncc(C(=O)N2CCC(c3cc4nc(C)c(C)c(O)n4n3)CC2)c1C 12134038 ATYXUSYAUOIWKF-UHFFFAOYSA-N 382.468 2.596 0 40 GFAB CN(C)c1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ncn1 1889125236 JNCRHWKOPJALDE-UHFFFAOYSA-N 386.809 2.936 0 40 GFAB O=C([C@H]1CN(c2ccc3ccc(Br)cc3n2)CCO1)N1CCCC1 1889148724 HRHCMEGYBOMVME-MRXNPFEDSA-N 390.281 2.825 0 40 GFAB Fc1ccccc1-c1noc(-c2cncnc2N2CCC3(CC2)OCCO3)n1 244983743 IPFQJOOOJSSQFA-UHFFFAOYSA-N 383.383 2.676 0 40 GFAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)Nc1cccc(F)c1 2037915911 AMSPWUYBDHJNME-HXUWFJFHSA-N 376.403 2.809 0 40 GFAB O=C([C@@H]1CN(c2cnc3cc(Cl)ccc3n2)CCO1)N1CCC(F)(F)CC1 2087141427 ZVUSAWNYAJVXEU-HNNXBMFYSA-N 396.825 2.746 0 40 GFAB O=C([C@H]1CN(c2cnc3cc(Cl)ccc3n2)CCO1)N1CCC(F)(F)CC1 2087141428 ZVUSAWNYAJVXEU-OAHLLOKOSA-N 396.825 2.746 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(N2C(=O)CCC2=O)cc1 4325789 LCDZYFXHKKUFAR-UHFFFAOYSA-N 395.396 2.931 0 40 GFAB O=C(COc1ccc(F)cc1)Oc1coc(CSc2ncccn2)cc1=O 4377332 JXALSWDMUDYMNL-UHFFFAOYSA-N 388.376 2.846 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1C 5075744 AZYREOSOVNYIKR-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 10253441 NLTBZKQQYFPEFA-UHFFFAOYSA-N 386.429 2.966 0 40 GFAB CN(Cc1ccsc1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 40073799 RXZFAIDNGVWIFF-HXUWFJFHSA-N 383.473 2.706 0 40 GFAB NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccccc1F 40068676 IGUYATVBCSRYBL-QGZVFWFLSA-N 385.443 2.949 0 40 GFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1NC(=O)N(C)C 40146672 NRJYVJBWVNIJRC-UHFFFAOYSA-N 377.422 2.588 0 40 GFAB O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccncc2)CC1 20123672 ANTBFVQNFHSECY-UHFFFAOYSA-N 390.281 2.567 0 40 GFAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)ccc1OCC(N)=O 31820049 DICIAINMXSBMMW-HNNXBMFYSA-N 392.415 2.869 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)c(OC)c1 51356574 WCJQPBJGYZYQFP-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c1 101304861 JAHKXFZEUYFHQI-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB CCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)CC1 20737174 YCDLDOAUTYRCNE-UHFFFAOYSA-N 388.537 2.976 0 40 GFAB COc1ccc(OC)c(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 32933540 CYYBVXSBTVYJBQ-UHFFFAOYSA-N 380.397 2.528 0 40 GFAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC[C@H]1CCCO1 1067070 IILQGLAKGBMSTK-QGZVFWFLSA-N 396.516 2.946 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 3074726 OESWZKKSSARNOZ-KRWDZBQOSA-N 379.503 2.686 0 40 GFAB CSCC[C@@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)c2ccccc2C1=O 3325984 QKJQPPRPDZIUCI-AWEZNQCLSA-N 377.462 2.563 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2cccs2)c1 3393788 VMFUHHBHZDPRNT-UHFFFAOYSA-N 393.534 2.529 0 40 GFAB Cc1sc2nc(SCC(=O)N3CCCC3=O)n(CC(C)C)c(=O)c2c1C 3542949 IAKOROQQUASRHW-UHFFFAOYSA-N 393.534 2.972 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 4166890 DQZJTVYWHHCSGU-UHFFFAOYSA-N 375.475 2.735 0 40 GFAB O=C1N[C@@H](c2ccc(O)cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4279744 JIAMXIWSZJUDBV-TYNCELHUSA-N 386.351 2.558 0 40 GFAB CCCOc1ccc(Br)cc1[C@@H]1C(C(N)=O)=C(C)N=C2N=NNN21 4368799 BSYGPVYYLGLWGF-CYBMUJFWSA-N 393.245 2.595 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1 4476853 MRBCMIQSCZUUDG-JOCHJYFZSA-N 377.444 2.889 0 40 GFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(F)cc1 4814618 LFPFGERIHSKTOC-UHFFFAOYSA-N 388.424 2.935 0 40 GFAB O=C(COC(=O)Cc1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 5017549 LAOAJYPDJNDAJH-GOSISDBHSA-N 381.428 2.737 0 40 GFAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1 5163120 JTIGYNGYYNJGLI-UHFFFAOYSA-N 387.509 2.558 0 40 GFAB O=C(/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1)N1CCOCC1 5268828 LQSAIMCZGLXMMA-RVDMUPIBSA-N 377.400 2.691 0 40 GFAB O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 6025954 NAXMLNWGKRTPIP-UHFFFAOYSA-N 387.505 2.619 0 40 GFAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1cccc(Cl)c1 6354066 MQZYEKSMFFOVLZ-LLVKDONJSA-N 386.791 2.506 0 40 GFAB CCCSc1nsc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1 6606598 CZIZTGINOPJJHO-UHFFFAOYSA-N 375.479 2.848 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(Cl)c1 6789927 FHSGXSIHQGOPOM-MRXNPFEDSA-N 395.912 2.785 0 40 GFAB CCCNC(=O)[C@@H]1CN(C(=O)c2cn3c(C)cccc3n2)c2ccccc2O1 8013510 WYBYSCAZPFNLLA-SFHVURJKSA-N 378.432 2.577 0 40 GFAB CN(Cc1ccc(Cl)cc1)Cn1nc([C@H]2CCS(=O)(=O)C2)oc1=S 8146881 FIPGKQCHELMOPU-LBPRGKRZSA-N 387.914 2.851 0 40 GFAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 8231358 MJAMUMXPYBLFPD-GFCCVEGCSA-N 385.445 2.788 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cn4cncn4)cc3)ccc12 9184550 ZHBGGBIZZPXTSA-UHFFFAOYSA-N 390.399 2.759 0 40 GFAB biogenic COc1ccc(CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1F 9593097 IRMWGDONRQEOBU-UHFFFAOYSA-N 381.454 2.661 0 40 GFAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9740264 MYQLFBLAAPAYCI-OAHLLOKOSA-N 383.448 2.888 0 40 GFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1ccc(Cl)cc1 9787790 LPTYMBAIENBODQ-UHFFFAOYSA-N 392.864 2.902 0 40 GFAB COC(=O)c1sccc1NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 10450693 JKMHRYMNIQVNEF-UHFFFAOYSA-N 385.449 2.950 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)CSc2nc(O)nnc2C)cc1 11990601 HFSHXXHPNONYSQ-UHFFFAOYSA-N 376.438 2.573 0 40 GFAB Cc1ncc(CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)cn1 12086122 UTYMGLYQIIQIJP-UHFFFAOYSA-N 382.899 2.918 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2cccnc2)C1 12222736 SGGDQJLWJCNJCX-UCNVEGJOSA-N 382.508 2.511 0 40 GFAB Cc1ccc(CC(=O)N2CCC(n3nnc4c(O)nc(C5CC5)nc43)CC2)cc1 12337055 XTTQUEOMXVHCPW-UHFFFAOYSA-N 392.463 2.519 0 40 GFAB O=C1CN(C(=O)CN2CCC(c3nc4ccccc4o3)CC2)c2ccccc2N1 12814912 VXSXFAUINDHPCG-UHFFFAOYSA-N 390.443 2.993 0 40 GFAB CC(=O)Nc1cccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)n1 12990748 YGQPSUKPZCDRDY-UHFFFAOYSA-N 395.488 2.608 0 40 GFAB CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1ccccc1 13549767 KSQRLWNDSKUAPL-INIZCTEOSA-N 398.488 2.915 0 40 GFAB CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O)c1ccccc1 13843383 FYOGODRHQMCRDY-OAHLLOKOSA-N 380.400 2.890 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O 14068472 CSCKNYSRLJKTRZ-XLIONFOSSA-N 383.473 2.674 0 40 GFAB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)NCc1cccs1 14918681 NDFRCAMOUYYQNX-GFCCVEGCSA-N 389.506 2.920 0 40 GFAB COc1cc2nc(NN)n(-c3ccc(C(F)(F)F)cc3)c(=O)c2cc1OC 15424585 UCNPERVMQFAUKB-UHFFFAOYSA-N 380.326 2.707 0 40 GFAB COc1ccccc1N1C[C@@H](NC(=O)[C@@H](C)n2c(C)nc3ccccc32)CC1=O 19286674 LFIBFAABBNVWTF-ZBFHGGJFSA-N 392.459 2.836 0 40 GFAB CCc1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19363087 KVLOLOSNFVZCAI-HXUWFJFHSA-N 398.503 2.535 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc4c(c3)CCC4)c(=O)c12 19432347 IUEVINPESAECHY-UHFFFAOYSA-N 380.400 2.846 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](C)Cn2nc(C)c(C)c2C)n1C 19556807 XBIOFYBMAODACM-NHYWBVRUSA-N 376.530 2.659 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c1 19564276 PXXVCHBSKFPINT-IBGZPJMESA-N 390.443 2.747 0 40 GFAB CN(C)C[C@H]1CCCN(C(=O)Cn2c(-c3ccccn3)nc3ccccc32)C1 19582057 APKRXBJXSYGDNW-QGZVFWFLSA-N 377.492 2.899 0 40 GFAB Cn1cc(-c2csc(NC(=O)Cn3c(=O)oc4ccc(Cl)cc43)n2)cn1 19659853 AGKUTRAPBHMYDG-UHFFFAOYSA-N 389.824 2.744 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)NCc2cccc(CN3CCCC3)c2)n[nH]1 19718738 YRYJRBVCYYVURZ-UHFFFAOYSA-N 378.480 2.644 0 40 GFAB C[C@H](NC(=O)c1cccn(CC(=O)N(C)C2CCCCC2)c1=O)c1ccccn1 19751410 FEHZSDPPWWSONF-INIZCTEOSA-N 396.491 2.525 0 40 GFAB Cc1nc(-c2cccs2)c(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 19819655 JVKZNVOQASCNSE-LBPRGKRZSA-N 384.548 2.758 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCC[C@@H]2CCCC[C@H]21 22805368 YJKVTAQZLORGBO-VQTJNVASSA-N 399.535 2.714 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)NCc3nc4ccccc4n3C)CC2=O)cc1 24180072 LIHKDAYQSHQEOM-HNNXBMFYSA-N 392.459 2.641 0 40 GFAB Nc1nc(N)nc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)n1 25035249 XYIWSYLJSMTAGQ-UHFFFAOYSA-N 375.889 2.679 0 40 GFAB O=C(NCCCSc1ccccc1)NCc1cccnc1N1CCOCC1 26385852 NXNAZLAMVKJPHW-UHFFFAOYSA-N 386.521 2.900 0 40 GFAB CCn1c(CNS(=O)(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 28249237 MVYXEVULYOPRET-UHFFFAOYSA-N 375.450 2.552 0 40 GFAB Cc1cc(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c2c(C)noc2n1 32726200 LNKSGECZYQWPDL-MRXNPFEDSA-N 393.491 2.780 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1ccc(N2CCCC2=O)cc1 32747914 DCNSTMAJONFFEX-SFHVURJKSA-N 380.444 2.654 0 40 GFAB O=C(C[C@@H]1C=CS(=O)(=O)C1)OCc1ccc(C(=O)Nc2ccccc2)cc1 32828952 JQFBKATTXICPAD-INIZCTEOSA-N 385.441 2.931 0 40 GFAB COCCNC(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 33106616 APZVPHOHNQZCGI-UHFFFAOYSA-N 393.491 2.563 0 40 GFAB Cn1nc(C2CC2)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36618897 FEJVPAZJENSGEL-UHFFFAOYSA-N 377.383 2.794 0 40 GFAB COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701542 FZECIAXZDKRWLL-AGRHKRQWSA-N 393.447 2.954 0 40 GFAB CCOC(=O)c1c(CN2CCN(C(=O)OCC)CC2)nc2ccccc2c1C 36722504 DBDVFKYEPVRDED-UHFFFAOYSA-N 385.464 2.994 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@H](CO)C2)nc1 38581916 OBBXSCUYNJYJBR-INIZCTEOSA-N 375.494 2.506 0 40 GFAB CN1C(=O)c2ccc(C(=O)NCc3cccc(OCC(F)(F)F)c3)cc2C1=O 40111882 DJQQMJOANUJLEW-UHFFFAOYSA-N 392.333 2.784 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCCC(=O)N1CCCc2ccccc21)c1cccs1 40122551 RJEQTKUMXVULSY-KRWDZBQOSA-N 399.516 2.801 0 40 GFAB Cc1oc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1S(=O)(=O)N1CCCC1 40142316 VMBDXNQEIGPMCY-GDBMZVCRSA-N 398.525 2.698 0 40 GFAB COc1cc(Br)ccc1S(=O)(=O)Nc1cccc(C(=O)O)c1 41091794 DEMDJIHMCIXFRB-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1cccc(Cl)c1 44782801 CSRWTPPIBSAGQF-SFHVURJKSA-N 380.897 2.692 0 40 GFAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1 45953481 OJRYUANELRBUAU-NSHDSACASA-N 384.276 2.868 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H]1Cc2ccccc2O1 46653334 BPPQBRBCRMGXJX-GOSISDBHSA-N 375.428 2.792 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(F)ccc1F 47637642 CPJFUARUNMSFFB-SNVBAGLBSA-N 383.372 2.537 0 40 GFAB CCOC(=O)c1cc2cc(NC(=O)NC[C@H](C)N3CCOCC3)ccc2s1 48325102 OYRITXCBJIZAEX-ZDUSSCGKSA-N 391.493 2.920 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 48332793 JIHMAPQQYLBXSI-GJZGRUSLSA-N 376.453 2.590 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCc2cc(C)ccc21 57116402 OUFHMHKFVQBDIA-UHFFFAOYSA-N 375.446 2.772 0 40 GFAB CC(C)(C)N1CCCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 58078099 ILHKZFXZLPFNGE-UHFFFAOYSA-N 384.524 2.736 0 40 GFAB Cc1ccc([C@@H](CNCc2csc(-c3ncccn3)n2)N2CCOCC2)o1 58108218 HLUZZSUPXQEDGA-MRXNPFEDSA-N 385.493 2.665 0 40 GFAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 58408597 KGHXXXXXKQLICM-AWEZNQCLSA-N 375.444 2.990 0 40 GFAB CC1(C)[C@@H](C(=O)Nc2ccc(-c3nc(-c4cccnc4)n[nH]3)cc2)[C@H]1C(=O)O 71284318 LIKCKADIHDKXNY-CABCVRRESA-N 377.404 2.829 0 40 GFAB COc1ccc(-c2noc(CCc3nnc4ccc(Cl)nn34)n2)cc1OC 71328706 PLTPTBNWWZGKAY-UHFFFAOYSA-N 386.799 2.630 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 77101259 KXUZCOYXYUYYFK-UHFFFAOYSA-N 392.459 2.720 0 40 GFAB O=C(Nc1cc(F)cc(F)c1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 90607868 XMRUTLNBZXZYRE-UHFFFAOYSA-N 384.390 2.900 0 40 GFAB CCOC(=O)CC[C@H]1CCCCN1C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 95437653 SNKJLJFLIBVWAN-MRXNPFEDSA-N 396.509 2.705 0 40 GFAB CO[C@@H](CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccsc1 96120628 VCIBEMSMYJPFBP-LBPRGKRZSA-N 375.418 2.862 0 40 GFAB Cc1ccc(N2CCC[C@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)nn1 96217049 JGSXPNBIXYGQQM-IBGZPJMESA-N 390.484 2.605 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 96241007 QFCYRYNRJCRQJA-GOSISDBHSA-N 380.448 2.981 0 40 GFAB Cc1ccc(-c2nc(C)c(C(=O)NCCN3CCCS3(=O)=O)s2)c(C)c1 97000124 QYBNHBOHNNOLEP-UHFFFAOYSA-N 393.534 2.501 0 40 GFAB CCN(CC)CCCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100180313 PTNGMKDWGZALSA-XPDMDZMYSA-N 399.535 2.789 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 103244315 AMRJONWTBHUORF-WYZBVHOTSA-N 396.462 2.980 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1cccc(Cl)c1 224146621 SWTGZGKXGJCBQW-UHFFFAOYSA-N 376.848 2.677 0 40 GFAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CCN4CCCC4=O)[C@@H]3C[C@H]21 257288521 PULYZIXIAPRCSB-VRVBVOGLSA-N 398.503 2.917 0 40 GFAB O=C(Cn1cccnc1=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257311820 ULDOPOWOUSSSOX-KRWDZBQOSA-N 398.850 2.839 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c(C)o1 306143415 YBVDNCNYVMOWNM-UXHICEINSA-N 390.443 2.815 0 40 GFAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1 408697063 GWIMFPOXPHDOTA-UHFFFAOYSA-N 380.510 2.742 0 40 GFAB O=C(Cc1ccsc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575612017 IFUYLYJLNQQFRC-ZDUSSCGKSA-N 382.283 2.913 0 40 GFAB O=S(=O)(Cc1cccc(Cl)c1)N1CCN(c2ccc(C3CC3)nn2)CC1 575621563 YPYHUMCUXBWPPL-UHFFFAOYSA-N 392.912 2.659 0 40 GFAB CS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2)c(C(F)(F)F)c1 584357624 XHYQFLQBKCPZCT-UHFFFAOYSA-N 386.395 2.951 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 585107285 JPBMLYCKKYUBGV-APWZRJJASA-N 380.410 2.865 0 40 GFAB O=C(Cc1ccc(O)cc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585110999 AIYOVOXTQRDGLS-FQEVSTJZSA-N 377.444 2.610 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](Oc2cc(C)nc(C)n2)C1 585147419 PCTHVYMYYDGJMW-AWEZNQCLSA-N 397.884 2.597 0 40 GFAB COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCCF)cc3)C[C@H]2O)cc1 585269636 FCDINDUPUVRUCJ-FGZHOGPDSA-N 388.483 2.721 0 40 GFAB COC(=O)c1ccc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1 585407086 DZTFRQZWTMTUER-HXUWFJFHSA-N 375.428 2.995 0 40 GFAB O=C1NCC[C@@]1(C(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCC1 624048742 UQRRUYPYRCKMEV-HSZRJFAPSA-N 383.536 2.506 0 40 GFAB COc1ccc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)cc1Cl 641047631 MUHUGZDKTAZOSM-UHFFFAOYSA-N 391.903 2.596 0 40 GFAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@H]1CCc2nncn2C1 655255044 VWRKKCXRFVIHIF-ZDUSSCGKSA-N 394.397 2.977 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](C(=O)O)c1ccccc1Br 659192501 XFBORANVPNKHLS-VFZGTOFNSA-N 394.269 2.845 0 40 GFAB Cc1c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)nnn1[C@@H]1CCNC1 662443639 VBWORWIWVSVMDF-SNVBAGLBSA-N 389.872 2.545 0 40 GFAB Cc1cc(S(=O)(=O)NCC2(OCCO)CCCC2)c(Cl)cc1Cl 952964531 GCNXCUFEPOLOOJ-UHFFFAOYSA-N 382.309 2.902 0 40 GFAB CN(C)c1nc(CNC(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)cs1 1229419987 GXIGVSDYXFEBFU-UHFFFAOYSA-N 382.493 2.769 0 40 GFAB CCC(CC)CC(=O)N1CCOC2(CCN(C(=O)c3nccn3CC)CC2)C1 1615611601 NNUWBLGYCSMBKX-UHFFFAOYSA-N 390.528 2.563 0 40 GFAB Cc1cnc(NC(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)CC2)s1 2037912320 JPYDTOUZPBENBR-IBGZPJMESA-N 393.484 2.825 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)COc3cccc(F)c3)sc2c1 2621489 FMMOHCVELWDCOM-UHFFFAOYSA-N 380.422 2.856 0 40 GFAB CC(C)(C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1F 78557160 YXXJISXUCFZCMB-UHFFFAOYSA-N 379.453 2.702 0 40 GFAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(OC3CCCC3)cc2)cn1 78724153 ROXAWSAJRDKQPN-UHFFFAOYSA-N 382.464 2.724 0 40 GFAB CN1C(=O)C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1 79479395 QKOMJWJWQGIBIT-FYYLOGMGSA-N 391.515 2.987 0 40 GFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12 2712216 LPTBRKXICUJSFP-UHFFFAOYSA-N 398.390 2.721 0 40 GFAB CCCCNC(=S)N(CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O 4133060 XWRHVMXKGWOJLI-UHFFFAOYSA-N 391.537 2.786 0 40 GFAB CN(Cc1ccccc1Br)C(=O)CNC(=O)Cc1ccccc1 22412377 JXFSVOVCXAHGBA-UHFFFAOYSA-N 375.266 2.766 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1csc(Cl)n1 97162880 SRAPTQAMBKMCAX-UHFFFAOYSA-N 399.925 2.901 0 40 GFAB CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCN(CC)CC3)c2c1 938817 ZFYIDXXCHWTYAI-UHFFFAOYSA-N 382.386 2.967 0 40 GFAB CCCc1ccc(NC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)cc1 24988271 KVUATQVNCYWYDQ-UHFFFAOYSA-N 379.464 2.969 0 40 GFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c12 24969539 FNGHWDQPYNYTCP-UHFFFAOYSA-N 379.420 2.983 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCCOc3ccc(F)cc31)C2=O 56192713 HZAUEMZIZIBYCI-KRWDZBQOSA-N 382.391 2.760 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113957756 PEWKSPIEYPSOOA-NSHDSACASA-N 384.404 2.767 0 40 GFAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O 57525744 AYTKUJAIWOKIHA-UHFFFAOYSA-N 378.215 2.646 0 40 GFAB COc1ccc(-c2noc(CCC(=O)Nc3ccnn3C[C@@H]3CCOC3)n2)cc1 58007170 OUXUKBCIBSYVTC-AWEZNQCLSA-N 397.435 2.550 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cncc(Br)c1 20836476 AAYOBMCSBHKKKA-UHFFFAOYSA-N 395.209 2.900 0 40 GFAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc3c(c2)OCO3)C1 58201318 XZBQJRHFUSKNMC-ZBFHGGJFSA-N 375.469 2.642 0 40 GFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 58208589 ZYCNODCZAAIFQN-CHWSQXEVSA-N 378.519 2.534 0 40 GFAB CN1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cn2)CC1 24193269 OGXSBEOUBZYRHA-UHFFFAOYSA-N 378.398 2.782 0 40 GFAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1cccs1 48278645 YNRDEXPBCPAPPE-LPHOPBHVSA-N 382.489 2.955 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)n2C)c1 3389336 FPUYWWBQZFCGGN-UHFFFAOYSA-N 393.472 2.868 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccc(F)cc1 22335504 HTIZNNFSCMSGPI-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB COc1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C(=O)N(C)C)cc1OC 25214230 VINYCKOJSFTXIG-UHFFFAOYSA-N 387.436 2.805 0 40 GFAB COc1ccc(CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 2350392 ALSCMYUVBUNEPW-UHFFFAOYSA-N 383.400 2.814 0 40 GFAB biogenic Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c(F)c1 67300434 RQQUJPONVWLJFC-UHFFFAOYSA-N 395.434 2.840 0 40 GFAB COc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1OC 45536273 XJSZGCAKKBJILN-UHFFFAOYSA-N 381.432 2.824 0 40 GFAB Cc1nnc(SCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 3333069 NYHLVPPWLINBRX-UHFFFAOYSA-N 383.520 2.606 0 40 GFAB CCOc1ccc(OC[C@@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)cc1 12793308 JUJSZLXETHDZHQ-HNNXBMFYSA-N 384.432 2.955 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 12824310 YEGCSJPRDICMCH-TXEJJXNPSA-N 393.281 2.940 0 40 GFAB Cc1cc(=O)n2nc(NCc3ccc(C(=O)N4CCCCC4)cc3)sc2n1 12815079 ZPWPDRFUKLRBLN-UHFFFAOYSA-N 383.477 2.698 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1 49547527 PGIXDNFBCBZCRS-UHFFFAOYSA-N 399.447 2.602 0 40 GFAB CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 4269865 BDOPAXJBLZPCLB-GRDNDAEWSA-N 398.406 2.789 0 40 GFAB C[C@@H](CO)NC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 13732639 XLKKLFRGUILRMO-NSHDSACASA-N 389.354 2.614 0 40 GFAB COc1cccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 6583791 ODBNLIQESJWBMJ-UHFFFAOYSA-N 382.869 2.780 0 40 GFAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 4741096 VCTMPYGXITYXNZ-UHFFFAOYSA-N 396.896 2.931 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 15581216 CYYCQUBAQGQPPX-QGZVFWFLSA-N 394.880 2.841 0 40 GFAB CCc1ccc2c(CN3C[C@@H](C(=O)NC)Oc4ccccc43)cc(=O)oc2c1 7253733 IMKCABLUJPMDTH-FQEVSTJZSA-N 378.428 2.869 0 40 GFAB CC[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CCO1 68079280 SWFKLAWDUNLDNU-ZFWWWQNUSA-N 382.407 2.530 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 16001141 RZMYXLXZAPSZJK-UHFFFAOYSA-N 379.416 2.647 0 40 GFAB COc1ccc(COC[C@@H](O)CNCCOc2ccc(C)cc2)cc1OC 7737960 PEWSCWQZTFTKHI-SFHVURJKSA-N 375.465 2.558 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 96247035 LGTCEORWSVLHET-NVXWUHKLSA-N 397.818 2.637 0 40 GFAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 16638867 SMDODYUAUFXDBF-UHFFFAOYSA-N 389.477 2.840 0 40 GFAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)c1ccc(F)cc1 8279315 DUOUURLFCPJHJX-LBPRGKRZSA-N 378.473 2.855 0 40 GFAB CCCCN1C[C@@H](C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)CC1=O 9698847 DFFJUAWROGECTA-AWEZNQCLSA-N 388.493 2.725 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)Cn1c(=O)cnc2ccccc21 9737965 VKGLXWZINLRNDF-UHFFFAOYSA-N 376.460 2.655 0 40 GFAB CCN(C(=O)c1ccc(Cl)o1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 95435806 WNDZVBZOJVONFE-UHFFFAOYSA-N 390.871 2.659 0 40 GFAB COCCN(CCNC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)OC(C)(C)C 95453554 WPTKRFXMFORYPT-AWEZNQCLSA-N 384.448 2.593 0 40 GFAB O=C(N1CCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 306131813 KQEFEXOBVDZKMH-HXUWFJFHSA-N 382.489 2.963 0 40 GFAB O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(F)ccc1-n1cccn1 526983538 ORCWNTBFRLHFJC-UHFFFAOYSA-N 379.439 2.801 0 40 GFAB Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc(Cc2ccccc2)[nH]n1 555885587 LSKZYVJWYQMODE-UHFFFAOYSA-N 377.448 2.793 0 40 GFAB CCOC(=O)C[C@H](c1cccc(OCC(C)C)c1)c1oc(CO)cc(=O)c1O 72324605 SIFIPLXTHBUXAL-QGZVFWFLSA-N 390.432 2.958 0 40 GFAB biogenic CC(=O)Nc1ccc(CN2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)cc1 72389573 LKVLJUUEFGGIMM-OAHLLOKOSA-N 395.507 2.523 0 40 GFAB COc1cc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(OC)c1 32902634 PHOWYJQUTHCCIV-BQYQJAHWSA-N 396.487 2.866 0 40 GFAB O=C(Nc1ccc(F)cc1F)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314589 YCHZIPYRSJITSZ-UHFFFAOYSA-N 398.417 2.746 0 40 GFAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)[C@H]1CCNCC1(F)F 573953709 KPRIMYZSDWPDPP-SNVBAGLBSA-N 376.194 2.757 0 40 GFAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN3CCCCC3)ccc21 225710044 DLEGMEIJPLYYAU-UHFFFAOYSA-N 397.566 2.798 0 40 GFAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220141485 SOTCYAAEKWRXIX-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)cc12 40080350 QIGYHWNYFUTNAK-INIZCTEOSA-N 379.468 2.572 0 40 GFAB CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 46971205 BIPQFHJTCMDEIY-UHFFFAOYSA-N 384.307 2.620 0 40 GFAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2ccccc2Cl)CC1 225707247 ZQBRCLXTHKTEDC-MRXNPFEDSA-N 387.867 2.865 0 40 GFAB CC(C)CSc1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 225666534 HJGMCRPGZBGVCE-TXEJJXNPSA-N 394.522 2.566 0 40 GFAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccc3ccccc3n1)CCC2 96259364 ZAQWSHMWXGNSCJ-UHFFFAOYSA-N 389.459 2.600 0 40 GFAB C[C@H]1N=C(O)c2ccccc2N(CC(=O)NCCSc2ccccc2)C1=O 97531507 ABABOXQPXPOQTO-CQSZACIVSA-N 383.473 2.635 0 40 GFAB Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237792 BZDQSPMFDSVJSG-JOCHJYFZSA-N 378.476 2.950 0 40 GFAB Cc1cc(C(=O)N2CC[C@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)c(C)o1 96226128 VHVYKHOTESZZFZ-FQEVSTJZSA-N 382.420 2.600 0 40 GFAB CCc1cccc2c(C3CCN(C(=O)COCc4ncnn4C)CC3)c[nH]c12 585082978 FEPNPAZPDUDBTM-UHFFFAOYSA-N 381.480 2.782 0 40 GFAB NC[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516348 SDLAFJXOWAOMLD-ZACQAIPSSA-N 386.300 2.871 0 40 GFAB CO[C@H]1CC[C@@H](C(=O)NS(=O)(=O)c2cc(F)c(Br)cc2C)C1 1616042577 FXNIPSPZEDIPSF-ZJUUUORDSA-N 394.262 2.517 0 40 GFAB Cc1ccc(CC2CN(C(=O)Nc3ccccc3CN3C(=O)CNC3=O)C2)cc1 664389031 NORVICRYWWXTFE-UHFFFAOYSA-N 392.459 2.753 0 40 GFAB Cn1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cn1 96098388 RRVRQOPRTQEZTE-UHFFFAOYSA-N 396.472 2.814 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](Oc2nccs2)C1 585320673 NLUWSEQMMYVLDR-MRVPVSSYSA-N 395.325 2.809 0 40 GFAB COC(=O)C1(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)CCCCC1 83884380 WEKNCVCBKQUAJE-UHFFFAOYSA-N 383.420 2.925 0 40 GFAB CC(=O)CCCC(=O)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615129874 NJKGWDMFICAVBF-OAQYLSRUSA-N 390.455 2.700 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CNC(=O)c1cccc(Cl)c1 11083907 AMIJCWUPBOPHLA-UHFFFAOYSA-N 396.878 2.973 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CCC(n3cnc4cccnc43)CC2)c1 12114692 YKEJDZRIKKMYKZ-UHFFFAOYSA-N 380.448 2.855 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(Cl)cc2)Oc2ccccc21 13679962 ASLXZELEHHQEON-KRWDZBQOSA-N 394.880 2.574 0 40 GFAB CC(=O)N[C@H]1CN(Cc2oc3ccccc3c2C)C2(CCN(C(C)=O)CC2)C1 19704106 OQQKPPWMVJLBCL-GOSISDBHSA-N 383.492 2.833 0 40 GFAB COc1cc([C@@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)cc(OC)c1OC 19784113 UJKABYDRSWSOFE-CQSZACIVSA-N 385.372 2.524 0 40 GFAB CCCNC(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935753 OXQLBADOESGVQM-IBGZPJMESA-N 390.505 2.973 0 40 GFAB COc1cccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1OC(C)C 6049751 PYZZNBNADBMEDR-XNTDXEJSSA-N 384.388 2.737 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O 7077965 FXLIWFWYPCFHJG-CEITULEQSA-N 394.405 2.981 0 40 GFAB COC[C@H](C)NC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 12087251 GAAGKRNXSRUSRQ-GLIABKTBSA-N 380.872 2.542 0 40 GFAB COCCN(C)c1cnn([C@@H]2CCCN(Cc3cccc(Cl)c3)C2)c(=O)c1 583618326 OHPOVNIJOARWKC-GOSISDBHSA-N 390.915 2.816 0 40 GFAB CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 2648598 WAUXETCQOLPPFD-UHFFFAOYSA-N 382.416 2.903 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1cccc(C(F)(F)F)c1 5752438 OBQKBCSWEUIMCM-UHFFFAOYSA-N 398.312 2.756 0 40 GFAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 4945189 VDINLNXIBWROIA-UHFFFAOYSA-N 377.448 2.621 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCCS2(=O)=O)cc1 12653166 MECNEHHSNKKEBV-SDNWHVSQSA-N 378.475 2.639 0 40 GFAB Cc1c(C(=O)N2CCN(C[C@@H](O)c3cccs3)CC2)cnn1-c1ccccc1 49031262 OFKPUZXCIZEIHH-LJQANCHMSA-N 396.516 2.734 0 40 GFAB COc1nn(C)cc1C(=O)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575614807 IYAAMOXWAWCWKY-UHFFFAOYSA-N 394.479 2.772 0 40 GFAB CSc1nc(C)c(C)c(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298053761 SMDMBKCSVQDSNR-UHFFFAOYSA-N 398.536 2.885 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 13364407 LTUMTMVGIDLLNL-UHFFFAOYSA-N 382.445 2.835 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(-n2cccn2)cc1 40129040 VQMHBKOWKNGLGN-UHFFFAOYSA-N 395.415 2.857 0 40 GFAB CC(=O)N1CCc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21 31333900 ZQQCBTANFKBIBA-UHFFFAOYSA-N 377.488 2.990 0 40 GFAB CNC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 51798189 MAUGIWIWHMRBGI-KBPBESRZSA-N 386.370 2.897 0 40 GFAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2cccc(Cl)c2)c2ccccc21 101679921 GJPJONDZODAKFM-QGZVFWFLSA-N 385.851 2.569 0 40 GFAB COc1ccc(CNC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)cc1 21360797 BMINPBIZVVGKTR-OAHLLOKOSA-N 384.480 2.725 0 40 GFAB CCCCNC(=O)CN1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 32795649 OPZWJSFOAZDKSC-UHFFFAOYSA-N 396.535 2.721 0 40 GFAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)N1CCOCC1 779129 KPZAWVIBPDRWFN-UHFFFAOYSA-N 384.461 2.537 0 40 GFAB CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 1178321 OXHDNPYGVFURJG-UHFFFAOYSA-N 389.315 2.519 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)s1 1223567 PYDUZNREWZMAJW-UHFFFAOYSA-N 390.494 2.729 0 40 GFAB COc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 1379213 IERHBDJKZZJBOL-KRWDZBQOSA-N 378.425 2.626 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1943668 HUTSWFNKHVZZKF-UHFFFAOYSA-N 389.404 2.907 0 40 GFAB COc1cc(S(=O)(=O)NCCOc2ccc(F)cc2)c(OC)cc1Cl 2170549 VIGJCEDAOIUYIU-UHFFFAOYSA-N 389.832 2.854 0 40 GFAB CN(C(=O)CSc1nc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1 3332736 IKABTDQRCILVIN-CYBMUJFWSA-N 382.532 2.548 0 40 GFAB C[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 3440482 CTJXNQMCGHSWTB-CYBMUJFWSA-N 380.366 2.905 0 40 GFAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2nncs2)n1C 4816328 WLIKIERSDRKSPK-JTQLQIEISA-N 376.467 2.537 0 40 GFAB Cc1cccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)c1 4853608 KIUOMSZUOMDXDL-UHFFFAOYSA-N 379.438 2.976 0 40 GFAB CCOC(=O)N1CCN2c3ccccc3CC3(C(=O)CC(C)(C)CC3=O)[C@H]2C1 4915060 LUNLTNRLIQLPIV-QGZVFWFLSA-N 384.476 2.834 0 40 GFAB O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCS2(=O)=O)cc1 5075521 TWOKPRQZOWQULL-UHFFFAOYSA-N 380.853 2.897 0 40 GFAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1c(F)cccc1F 6189049 JYGINNXJDNVAOS-NTEUORMPSA-N 389.383 2.826 0 40 GFAB CCOC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccccc1Cl 6818548 CKZSLMBNXFAXJY-UHFFFAOYSA-N 390.852 2.543 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 6832389 FWTCPRCPDGLVMZ-UHFFFAOYSA-N 394.522 2.773 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(-n2cnnn2)c1 6881106 UGEPCFOBNGNNOB-KRWDZBQOSA-N 398.854 2.709 0 40 GFAB CN(C)S(=O)(=O)c1cccc(CSCC(=O)NCc2cccs2)c1 6940712 CTOZQEWACYUYBZ-UHFFFAOYSA-N 384.548 2.548 0 40 GFAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC1CCCCCC1 7190608 BDKDGDZLKNLDIQ-CYBMUJFWSA-N 385.555 2.652 0 40 GFAB Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 7267907 QFXVEGDWWVOARZ-OAHLLOKOSA-N 383.448 2.930 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccc(F)c(F)c1)C2=O 7989474 IJZWEIDMOLNWAF-DKXWOSEQSA-N 379.407 2.643 0 40 GFAB COc1ccc(CCNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1OC 8136083 RFUHOUSTBUSROC-UHFFFAOYSA-N 382.460 2.732 0 40 GFAB Cc1ccc(CNC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)cc1 8326516 FJMCUGCPHQPYEC-AWEZNQCLSA-N 378.523 2.846 0 40 GFAB O=C(Cn1ccccc1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8403636 WKOZECVDMXLHQF-UHFFFAOYSA-N 382.441 2.914 0 40 GFAB CC(=O)NCCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8707767 XLXKINRLXUDSAT-UHFFFAOYSA-N 396.878 2.988 0 40 GFAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccco1 9156062 SIAJAJBONDKVPW-MRXNPFEDSA-N 384.432 2.925 0 40 GFAB CCc1ccc(/C=c2/sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1 9189106 RWUHADCAIYYUMQ-WOJGMQOQSA-N 393.468 2.945 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12254552 WNKXRSDLRRMPSU-UHFFFAOYSA-N 378.432 2.958 0 40 GFAB Cc1c(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cnn1C 12255657 DKFBIKXVWZBTAZ-ZDUSSCGKSA-N 395.438 2.535 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 12460358 WNFHMNCJWXCEIZ-UHFFFAOYSA-N 377.322 2.737 0 40 GFAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)nn12 12779707 POHDNHMGBIPPTD-SNVBAGLBSA-N 393.325 2.636 0 40 GFAB CCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)s1 12782065 NPAOSZDVKFRUMU-UHFFFAOYSA-N 382.511 2.740 0 40 GFAB Cc1ccc(F)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 12805588 OFPINEHORNABCB-UHFFFAOYSA-N 379.409 2.708 0 40 GFAB O=C(c1ccccc1)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 12982174 LYLXQHTZRMCSHP-UHFFFAOYSA-N 382.851 2.947 0 40 GFAB C[C@H](CNC(=O)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F)c1ccccc1 12986535 RHAAVFCIMZIRBI-LLVKDONJSA-N 391.353 2.920 0 40 GFAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1ccccc1 15391262 MBIQLZWAISJPPY-INIZCTEOSA-N 378.519 2.998 0 40 GFAB COc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 15858273 WMCHVENZLYACMJ-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 16108902 IMLZDCXXNWUAEB-AWEZNQCLSA-N 386.473 2.708 0 40 GFAB Cc1csc2ncc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c(=O)n12 19240347 UOEAVFLJGZPMCT-UHFFFAOYSA-N 387.436 2.887 0 40 GFAB COc1ccc2nc(C)c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc2c1 19582571 YOIWPEDAPJRDCG-UHFFFAOYSA-N 394.475 2.724 0 40 GFAB CCN(C(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C1CCN(C)CC1 19666925 ZGAPMBKHAHOPEV-SFHVURJKSA-N 396.535 2.502 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)cn1 19713194 PNKLMXBBFOZJEU-UXHICEINSA-N 378.476 2.971 0 40 GFAB C[C@H](NC(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1)c1nc2ccccc2[nH]1 19747540 NVBUFDNNDDKCSW-ZDUSSCGKSA-N 380.423 2.580 0 40 GFAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C3CCCC3)CC2)cc1 20141367 MBOWGOUNUCZJNP-NRFANRHFSA-N 398.555 2.987 0 40 GFAB CCn1c(=O)n(CCC(=O)NCc2ccccc2CN(C)C)c2ccccc21 21938565 ZVZFRARQGURLIQ-UHFFFAOYSA-N 380.492 2.591 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2ccc(N3CCCC3)nc2)nn1-c1ccccc1 22390998 IJYPPECELLFVDL-UHFFFAOYSA-N 375.432 2.788 0 40 GFAB COc1cccc(OC)c1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 23105649 IUNIWRXLMZGQKE-AWEZNQCLSA-N 376.478 2.569 0 40 GFAB CCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 23160921 OBWLWDMIUXMLCB-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB C[C@H]1CN(CCCNc2cnn(-c3ccccc3)c(=O)c2Cl)C[C@@H](C)O1 23619227 XBQYZTUJCLNQCC-GASCZTMLSA-N 376.888 2.797 0 40 GFAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1nc2nc(C)cc(C)n2n1 24653974 VPRSVXOGSVDKSZ-UHFFFAOYSA-N 380.452 2.540 0 40 GFAB Cc1cccc(N2CCN(CCNC(=O)[C@H](C)OCc3ccccc3)CC2)c1 25015788 IISZYCMVCJVVCY-FQEVSTJZSA-N 381.520 2.839 0 40 GFAB Cc1cccc2c(=O)n(CCCC(=O)N[C@@H](CN(C)C)c3ccccc3)cnc12 27150618 AMUQMCLKMCVSKE-FQEVSTJZSA-N 392.503 2.904 0 40 GFAB Cc1nc(C2(NC(=O)COc3ccc(N4CCCC4=O)cc3)CCCCC2)no1 29059344 GVMPUULCUDTCJI-UHFFFAOYSA-N 398.463 2.859 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H]1COc2ccccc2O1 31042437 MOXYCBMXSPBKAB-QGZVFWFLSA-N 391.427 2.628 0 40 GFAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(O)c(OC)c2)nn1 32074339 JZBXYPNTMMMRRZ-LBPRGKRZSA-N 381.392 2.817 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 32776633 JBUOYCNJPWDCGH-INIZCTEOSA-N 375.446 2.900 0 40 GFAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(-c2ccco2)on1 38679605 DHBVGTLXMALFQG-ZYHUDNBSSA-N 375.406 2.671 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCCO3)CC2)cc1 40108592 GMGBQEGMIGYPLJ-WMZOPIPTSA-N 394.537 2.602 0 40 GFAB O=C(Nc1cccc(N2CCNC2=O)c1)N1CCN(Cc2ccccc2)CC1 40120470 FOHOFSHFUPCPJW-UHFFFAOYSA-N 379.464 2.566 0 40 GFAB CCOC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(OC)cc3)nc12 40484631 HBTOEFCAZYAQQI-UHFFFAOYSA-N 377.400 2.888 0 40 GFAB O=C(Nc1nc2ccccc2[nH]1)[C@H](Cc1ccccc1)NC(=O)N1CCCC1 44891288 CYXIZNGQQUCATA-SFHVURJKSA-N 377.448 2.918 0 40 GFAB NC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)s2)CCO1 50854491 TXLLPXDEZNOCEN-KEDPEKRHSA-N 376.865 2.794 0 40 GFAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 51232992 DJDRBDYPIWGOHK-LJQANCHMSA-N 398.422 2.812 0 40 GFAB CCOC(=O)N1CCN(Cn2ncn([C@@H](C)c3ccccc3)c2=S)CC1 54421718 ZOYMPPOPXHYFIO-HNNXBMFYSA-N 375.498 2.755 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412697 NMZQMNPFUSMIJU-UHFFFAOYSA-N 376.825 2.630 0 40 GFAB COc1cccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)c1 57486021 HWRIRNKSVPAZBG-UHFFFAOYSA-N 387.461 2.528 0 40 GFAB COC(=O)c1cc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc(C)c1C 58173487 LEQQXSYVEWAPJR-UHFFFAOYSA-N 387.411 2.667 0 40 GFAB CCOC1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 58201704 DFEHBOGVZJIFDY-CALCHBBNSA-N 375.513 2.740 0 40 GFAB Cc1ccccc1C[C@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O 58227276 YUTBYTWRKGJYLA-HNNXBMFYSA-N 376.460 2.739 0 40 GFAB C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc2c(c1)OCCO2 61984056 UCQOAGORZROXPE-ZDUSSCGKSA-N 381.388 2.549 0 40 GFAB Cc1cc(C)c(NC(=O)Cn2c(=O)c3nnc(C)n3c3ccccc32)c(C)c1 64871449 NMJGXUNHPBGCQL-UHFFFAOYSA-N 375.432 2.917 0 40 GFAB O=C1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CCN1 65902685 BXGXUUGZEHBNFZ-UHFFFAOYSA-N 384.823 2.748 0 40 GFAB C[C@@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 66831740 OBZJYDMJYCAKDH-OAHLLOKOSA-N 395.459 2.809 0 40 GFAB O=C(Cn1ncc2c(c1=O)CCCCC2)NCCn1ccc2ccc(Cl)cc21 71280585 YBRUKJFJNPHNNZ-UHFFFAOYSA-N 398.894 2.937 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 72353627 VKTXJHBEEZOVKS-INIZCTEOSA-N 391.541 2.557 0 40 GFAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)ccc1OCC(N)=O 72404184 CYTZCESWWBZUTE-AWEZNQCLSA-N 396.403 2.521 0 40 GFAB O=C(Cc1ccccc1Cl)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77197984 IBWBKRGQZOCWRB-UHFFFAOYSA-N 396.878 2.924 0 40 GFAB O[C@H](CN(c1cc(C(F)(F)F)nc2ncnn12)C1CC1)c1ccc(F)cc1 79063893 GOCBPQKJZJGQBL-CYBMUJFWSA-N 381.333 2.985 0 40 GFAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)n1 84147676 JCGAEUBAKVVZHD-BBRMVZONSA-N 383.370 2.717 0 40 GFAB C[C@H](NC(=O)Cn1ccn(Cc2ccc(Cl)cc2)c(=O)c1=O)c1ccccc1 90610124 NSYTUVQGMHPQQL-HNNXBMFYSA-N 397.862 2.589 0 40 GFAB COc1ccccc1[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCOCC1 95473860 ODISVBOCKUWWLA-MRXNPFEDSA-N 375.450 2.961 0 40 GFAB Clc1ncc(NCc2cnc(N3CCOCC3)nc2)cc1Br 95990283 QIUWYFIZXWEJJJ-UHFFFAOYSA-N 384.665 2.736 0 40 GFAB CN(C)CC(=O)N1CCC2(CC1)CC(=O)N(c1cccnc1)c1ccccc12 96243933 FEKIHPVZBLUGPQ-UHFFFAOYSA-N 378.476 2.572 0 40 GFAB CC(C)CCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96263474 YZXYRXDQNWCPNK-UHFFFAOYSA-N 394.537 2.745 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccccc2OC)cc1 96385073 IVODFZRZSBAEQN-QGZVFWFLSA-N 394.449 2.540 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)sc2c1 103015912 SGBWHQPGOWULDS-CHWSQXEVSA-N 385.445 2.585 0 40 GFAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 116222780 ZFRSQSKEBDLCBG-GFCCVEGCSA-N 385.532 2.852 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3ccc(Cn4ccnc4)cc3)n2)cc1 223073836 UVUZUVHZRSNIPP-UHFFFAOYSA-N 389.415 2.920 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 224105639 BGNBSQSWTFNXCP-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CC[C@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224309638 OGUCVZCVDBEQRQ-GOSISDBHSA-N 396.459 2.868 0 40 GFAB C[C@H](COc1ccccc1)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224394515 VWZYKSMXSINGNO-MRXNPFEDSA-N 388.489 2.814 0 40 GFAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccccc1F)S(C)(=O)=O 224465239 VVDCVCDELNQOTF-UHFFFAOYSA-N 378.469 2.729 0 40 GFAB CCNC(=O)c1ccc(OCC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224819828 DRRXHOJAMODUJG-UHFFFAOYSA-N 390.505 2.964 0 40 GFAB COc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225163470 BPKSEURQYIRFDF-INIZCTEOSA-N 383.853 2.665 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NC1CCCC1 225209098 ZLWPELPKCIOYJT-UHFFFAOYSA-N 383.539 2.709 0 40 GFAB O=C(Cc1ccc(F)cc1F)NC1CCN(c2ncnc3c2CCCC3)CC1 238848727 IYJDJSMLYAPERL-UHFFFAOYSA-N 386.446 2.961 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@H]1CCCC[C@H]1C 245228158 HNXODKMWKDVLFE-KEYYUXOJSA-N 397.475 2.583 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)NCC1CCN(c2ncc(F)cn2)CC1 252494667 OBMBKFLWSWMRPX-UHFFFAOYSA-N 398.891 2.605 0 40 GFAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254612351 QJPCKAJTLHDNCS-XKPCLEHVSA-N 390.520 2.719 0 40 GFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2cccc(OC)c2)CC1 257230413 GCEXLPSMGJHBJF-CTNGQTDRSA-N 387.524 2.549 0 40 GFAB Cc1nc2cc([C@H]3CCCN3CC3CC3)nn2c(O)c1CCC(=O)N1CCCC1 257254845 KEXNKOZASDJFQP-LJQANCHMSA-N 397.523 2.845 0 40 GFAB Cn1ccnc1C(=O)N1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 257334628 YGSGQWNNFNRGDW-FIKGOQFSSA-N 384.455 2.964 0 40 GFAB CN1C(=O)N(c2cccc(N3CCCNC3=O)c2)C(=O)[C@H]1Cc1ccccc1 278109688 KWHZVTVZBPHAKT-GOSISDBHSA-N 378.432 2.616 0 40 GFAB NC(=O)[C@@H]1CC[C@H](C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)O1 285834206 ATYZCYKFOXBJKU-DLKVLKDVSA-N 393.281 2.855 0 40 GFAB Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 306141137 VMBBJOQEMQLSOX-RTWAWAEBSA-N 386.455 2.913 0 40 GFAB COc1ccc(CNC(=O)NC[C@](O)(c2ccoc2)c2ccco2)cc1OC 390826170 DNNOPDINXHEZRD-FQEVSTJZSA-N 386.404 2.625 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1C 390831926 WAKIACJMJVASQI-LJQANCHMSA-N 393.530 2.854 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 409149172 YMGUCJRDZJYIIL-MRXNPFEDSA-N 390.505 2.973 0 40 GFAB COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncc3Cl)C2)cc1C 575605605 LOESHVDRJLWMKF-ZDUSSCGKSA-N 382.869 2.894 0 40 GFAB Cc1cc(C)n([C@@H](CNS(=O)(=O)c2cn(C(C)C)cn2)c2cccs2)n1 575611808 XPQOSFUZSYXPMQ-HNNXBMFYSA-N 393.538 2.907 0 40 GFAB COc1ccccc1C1(CNC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)CCC1 623133772 LSQPEDYACMCDIY-SJLPKXTDSA-N 384.480 2.680 0 40 GFAB O=C(CCSc1ncnc2[nH]cnc12)N(Cc1cccc(O)c1)CC1CC1 635683716 KIGLJPNVKXOUEY-UHFFFAOYSA-N 383.477 2.980 0 40 GFAB Cc1c(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)nnn1[C@@H]1CCNC1 662810952 VEFNDJJGKWZNEY-LJQANCHMSA-N 391.475 2.977 0 40 GFAB O=C(NCc1ccccc1N1CCNCC1)c1cc(-c2ccccc2F)[nH]n1 1220654309 NFLGLINZSCLSFS-UHFFFAOYSA-N 379.439 2.555 0 40 GFAB O=C1CC2(CCN(C(=O)Cc3ccccc3F)CC2)Nc2ccccc2CN1 1615529446 JUJDPUCBEFQXFA-UHFFFAOYSA-N 381.451 2.861 0 40 GFAB CN(CC1CCN(c2ncnc3n[nH]cc23)CC1)c1ncnc(C2CC2)c1F 1888918120 YGGMNVPPPHBPDQ-UHFFFAOYSA-N 382.447 2.512 0 40 GFAB COc1ccc(-c2nc(CCNC(=O)c3ccc4nnc(C)n4n3)cs2)cc1 1888920837 LXFAKTQXIKALGR-UHFFFAOYSA-N 394.460 2.537 0 40 GFAB CC(C)(C)C(=O)NC1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 2087131345 UTYAEZKRHDMJRP-UHFFFAOYSA-N 395.550 2.831 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 29965028 ZQHYAIXZNNHKMP-KRWDZBQOSA-N 380.489 2.748 0 40 GFAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23652256 ZUTGZBUZGCQQJA-VQTJNVASSA-N 399.535 2.572 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N 687584 CCSQXOZIINETCI-UHFFFAOYSA-N 399.476 2.619 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 22645649 PATHMWSBKBJTGV-CYBMUJFWSA-N 384.461 2.748 0 40 GFAB C[C@H](C(=O)NCCSc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 7872004 MVKDJKYPOBDHHF-CQSZACIVSA-N 396.509 2.889 0 40 GFAB C[C@H]1c2ccsc2CCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 7878994 YUNWZEQRHAXYAR-NSHDSACASA-N 379.432 2.700 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 23113717 JGAQCSDBMUVIJY-UHFFFAOYSA-N 386.473 2.855 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 23108601 AEUGTFHSXHKQOO-GOSISDBHSA-N 376.453 2.637 0 40 GFAB COc1c(Cl)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 1092711 OAZFHZMLHCYEFS-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 24953708 GVILKBPGVOBHDL-UHFFFAOYSA-N 378.407 2.814 0 40 GFAB O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)OCCCO2 55663738 KYLDOPREWGGBFJ-UHFFFAOYSA-N 385.445 2.894 0 40 GFAB Cc1ccc([C@H](C)N(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 56077454 ZHGDFHZUXDSKRQ-HNNXBMFYSA-N 375.494 2.941 0 40 GFAB CCN(CC)C(=O)C1CCN(C(=O)N[C@@H](C)COc2cccc(F)c2)CC1 58291406 NYLDRAGRDSXVSH-HNNXBMFYSA-N 379.476 2.883 0 40 GFAB Cc1cccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 12564096 IJSGPOKXHALLSA-UHFFFAOYSA-N 393.539 2.707 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)ccc1OC 44250173 MDYMGKGZBNGNMZ-KRWDZBQOSA-N 388.489 2.753 0 40 GFAB O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccc2c(c1)OCCO2 72304789 APKYAFUISYQQLD-UHFFFAOYSA-N 397.475 2.736 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)cc1 3276047 VRSROEQQOQWWRP-LBPRGKRZSA-N 382.449 2.740 0 40 GFAB CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 12607588 JMMWQECCVWCDNF-HNNXBMFYSA-N 397.541 2.538 0 40 GFAB Cc1cn2nc(N3CCN(C(=O)Cc4ccccc4Cl)CC3)sc2n1 58208645 FVVRXKKYMOFESW-UHFFFAOYSA-N 375.885 2.644 0 40 GFAB COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 113872061 FRQVFPWZWZQSOR-UHFFFAOYSA-N 384.251 2.817 0 40 GFAB Cc1cn2c(=O)cc(CSc3nnc(NC(=O)C(C)C)s3)nc2s1 20984382 QJJMZDALHNQTQG-UHFFFAOYSA-N 381.508 2.803 0 40 GFAB CCOc1ccccc1N1CCN(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 36384828 JCMIUUGDAKUVPG-UHFFFAOYSA-N 399.491 2.822 0 40 GFAB COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O 36358235 NXWXSFKKMPMTAO-ZDUSSCGKSA-N 388.493 2.831 0 40 GFAB COCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2308592 WRFMAKQYDZUZHG-UHFFFAOYSA-N 389.459 2.981 0 40 GFAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCS(=O)(=O)C3)c2cc1C(C)C 10993923 TVWVHUQGGRRRQP-CYBMUJFWSA-N 378.446 2.703 0 40 GFAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)[C@H]1CCCO1 36758229 JETPOHNGABOVNG-DNVCBOLYSA-N 394.537 2.937 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(CN2CCCC2=O)c1 29291627 JALUBTZNPPESIV-IBGZPJMESA-N 383.448 2.795 0 40 GFAB O=C(O)CNC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 2560907 YINDOSYVRZADBY-LJQANCHMSA-N 394.427 2.601 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN[C@H](C)CCc1ccccc1 12809556 VCFNHZKZVPPYCA-BEFAXECRSA-N 375.538 2.970 0 40 GFAB Cc1occc1C(=O)OCC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12819579 ITWFESRHPFYUII-UHFFFAOYSA-N 382.294 2.749 0 40 GFAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ncc(Cc2ccccc2)s1 12981149 IDFGUUBZVVHUAC-UHFFFAOYSA-N 393.516 2.890 0 40 GFAB CN(C)[C@@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 12997709 PMDRGJSMAJIUCH-FQEVSTJZSA-N 381.476 2.611 0 40 GFAB Cc1ccccc1NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 38292146 FOENIXGDRPFBHM-LFIBNONCSA-N 399.516 2.552 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(F)cc1)O2 64988564 JPWHSDXIMNLJCU-KRWDZBQOSA-N 378.425 2.690 0 40 GFAB Cc1cc(C)c(C(N)=O)c(SCc2nc(N)nc(Nc3ccccc3C)n2)n1 9206888 LISHPHHRZGOEPJ-UHFFFAOYSA-N 395.492 2.909 0 40 GFAB COC(=O)c1c(CC(=O)NCCCOC2CCCCC2)[nH]c(C(C)=O)c1C 14236001 DCIFWENVMCAZCV-UHFFFAOYSA-N 378.469 2.710 0 40 GFAB Cc1ccc(NC(=O)NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)c1 6546128 MGSGRFJVDBYIPI-UHFFFAOYSA-N 384.827 2.959 0 40 GFAB COc1ccccc1CC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002504 BCHJRYIEEIPSFU-KRWDZBQOSA-N 380.423 2.767 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc(Cl)cc2c1=O 6649018 ANKCMWZPSPBVSD-GFCCVEGCSA-N 396.834 2.814 0 40 GFAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N([C@@H](C)c2ccccc2)C1=O 9360340 XDGXVRUBBCIVRT-NYHFZMIOSA-N 377.444 2.813 0 40 GFAB biogenic COc1ccc(CCNC(=O)C(=O)Nc2cccc3ncccc23)cc1OC 6760031 JNAMTQLPLHFKQK-UHFFFAOYSA-N 379.416 2.549 0 40 GFAB COc1ccc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6811021 ZMBWRRUBTRCZIO-INIZCTEOSA-N 377.437 2.664 0 40 GFAB COc1ccc(Cn2nnnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 15047461 KTWZXFNYPQKFBH-GOSISDBHSA-N 395.488 2.842 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842571 LQTJIJDXCTVGFU-UHFFFAOYSA-N 382.800 2.798 0 40 GFAB CC1(C)CC(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC(C)(C)N1 7770984 WFAIKCKJZWHJRH-UHFFFAOYSA-N 393.553 2.510 0 40 GFAB C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NCc1ccccc1Cl 7856688 VLWXLTAWTYYYGP-LBPRGKRZSA-N 395.864 2.605 0 40 GFAB O=C(c1cc2c(F)cccc2s1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9582094 UMUHCWUMAZCYCE-QWHCGFSZSA-N 397.493 2.849 0 40 GFAB COc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1Cl 8346706 PFHUWRCMEDZWAS-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB O=C(Nc1nncn1Cc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1 95398279 AEZSUKJPSSVVLA-SFHVURJKSA-N 381.480 2.836 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCC(=O)N3)N2CCOCC2)o1 84195169 SQLLLOFEUDZYOS-LJQANCHMSA-N 397.475 2.666 0 40 GFAB CCCc1noc(CCCC(=O)Nc2ccc(CCN3CCOCC3)cc2)n1 72272848 MWNLVSPLZCRXII-UHFFFAOYSA-N 386.496 2.858 0 40 GFAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12CN(Cc1ccccn1)CCO2 306128324 GXJLQFZZCQFHTE-PXNSSMCTSA-N 386.521 2.790 0 40 GFAB O=C(O)CNC(=O)Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 89774831 MXMHPXYDPBEUKZ-UHFFFAOYSA-N 384.407 2.629 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCC(N)=O)=N1 408986494 CPGILBHBQJFOGZ-GOSISDBHSA-N 380.473 2.818 0 40 GFAB COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 409382871 WTIBEQSGTDKHRN-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB NC(=O)c1ccc(CN(C(=O)c2cnc(-c3ncccn3)s2)C2CC2)c(F)c1 557423322 QUJMKBISDDCZHK-UHFFFAOYSA-N 397.435 2.643 0 40 GFAB COc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 32800649 RWXYKQPWQHQFFZ-UHFFFAOYSA-N 388.414 2.891 0 40 GFAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 514642270 SUKKVHLDABOUQL-UHFFFAOYSA-N 395.507 2.831 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)o1 540208350 VTYFFMMBFOJWFZ-INIZCTEOSA-N 384.885 2.593 0 40 GFAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3ccno3)CC2)n[nH]1 225560990 AMKPYWDFNSVODE-UHFFFAOYSA-N 383.383 2.809 0 40 GFAB CN(c1cc(C(=O)N2CCOc3ccccc32)ccc1Cl)S(C)(=O)=O 225971692 ZUNCTZUFKDLUQG-UHFFFAOYSA-N 380.853 2.775 0 40 GFAB Cn1nc(OCCC(=O)N2CCSCC2)c2cc(Br)ccc21 226865461 OYYOFRUHMKLMKC-UHFFFAOYSA-N 384.299 2.680 0 40 GFAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1)C(=O)OC 43735310 JEHJXCVOKBAXCT-ULFGMLNVSA-N 388.443 2.794 0 40 GFAB Cn1c(=O)c(CNC(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)cc2ccccc21 570410520 UAXLMMZGQOAVPN-ROUUACIJSA-N 397.500 2.518 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)ccc1C 223896465 NZRSFMGZTFBMTK-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB Oc1ncnc2c1CCN(c1nc(C(F)(F)F)c(Br)s1)C2 572347987 SNNPLVCFUWWGDI-UHFFFAOYSA-N 381.177 2.983 0 40 GFAB COc1ccc(N2C(=O)C[C@@]3(CC(c4cc(OC)ccc4OC)=NO3)C2=O)cc1 40287590 PRNLSKGPGWXAQC-NRFANRHFSA-N 396.399 2.539 0 40 GFAB COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957437 NNBLVQNENTWLMJ-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 224771747 QSXCXDYJMXVBLV-UHFFFAOYSA-N 388.445 2.712 0 40 GFAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1C 225440718 GKPNXRWHALWNMI-LBPRGKRZSA-N 382.511 2.789 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1 96344920 VKOMPORCFXCSQM-LBPRGKRZSA-N 380.404 2.572 0 40 GFAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccn1 527534483 ODXKCNOZASCSCP-UHFFFAOYSA-N 383.876 2.689 0 40 GFAB Cc1ncc2c(n1)CC[C@H](NC(=O)N[C@H](Cc1ccccc1)c1ncco1)C2 654364977 OJEQCSVOXJMQSF-PKOBYXMFSA-N 377.448 2.914 0 40 GFAB CO[C@@](C)(C(=O)O)C(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 663156037 GYPZBJSCRJSQTC-PGRDOPGGSA-N 388.508 2.625 0 40 GFAB CC(=O)N1CC2(CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)[C@H]2COC[C@H]21 1615589162 JFQQSBBUMBUCEO-DLBZAZTESA-N 380.847 2.579 0 40 GFAB COc1ccc(-c2cc(CNC(=O)C3CCN(c4cnccn4)CC3)on2)cc1 618253898 GHISIIFSIQLXAN-UHFFFAOYSA-N 393.447 2.673 0 40 GFAB O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCN(c2ccc(Cl)cc2Cl)CC1 662636298 PRTDDFUYBAARTH-GFCCVEGCSA-N 394.306 2.756 0 40 GFAB CC(C)c1nccn1CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 62130059 YFOUMELMFJGHDF-UHFFFAOYSA-N 394.475 2.541 0 40 GFAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)cc4)CC3)[C@H]2C1 585105995 BCPIHPIOBLUGAV-DBVUQKKJSA-N 383.536 2.694 0 40 GFAB COc1cccc(OCC(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)c1 1775995363 QHSFTZFXUJCCHH-UHFFFAOYSA-N 399.491 2.792 0 40 GFAB CC(=O)N(C)C1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 101783195 PVHSNNOKITUAJX-UHFFFAOYSA-N 386.540 2.612 0 40 GFAB Cn1c(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc(Cl)c1Cl 89741059 ZTMHOSVQEZMKJI-UONOGXRCSA-N 382.291 2.697 0 40 GFAB O=C1OC2(CN(Cc3ccc(F)cc3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549162987 XMNMHLLSHYMGEV-HXUWFJFHSA-N 381.451 2.717 0 40 GFAB COc1cc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c2cccnc2c1 5550055 UIHXISYXYCZWQB-UHFFFAOYSA-N 388.474 2.700 0 40 GFAB Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=N[C@@H]2c1cccnc1 14607532 XFXCCGYVXZYDBK-KRWDZBQOSA-N 380.839 2.718 0 40 GFAB CCOc1ccc(CCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1OCC 15941028 JZPVTBOKFQHVLO-YWZLYKJASA-N 392.521 2.597 0 40 GFAB Cc1cccc(CN2CCCN(C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 19236271 DTWCOPPXTNFCFM-GOSISDBHSA-N 379.504 2.990 0 40 GFAB Cc1nc(C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccc(F)cc2)cc(=O)[nH]1 19285378 APIKXOGZVNSJFF-INIZCTEOSA-N 397.454 2.952 0 40 GFAB Cc1nc(CC(=O)N2CCC[C@H](c3ccc(C(=O)NCC4CC4)cn3)C2)cs1 19705555 COUBSOAOYKGEFW-KRWDZBQOSA-N 398.532 2.935 0 40 GFAB Cc1ccc([C@]2(O)CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)C2)cc1 19718933 GFMQBVRGGQWKRB-QFIPXVFZSA-N 380.492 2.817 0 40 GFAB CN(C)C[C@@H]1CCCN(C(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)C1 19748230 HIBIINCWHHBWIG-NRFANRHFSA-N 385.552 2.658 0 40 GFAB COc1ccc([C@H](CC(=O)NC2CC2)N(C)S(=O)(=O)c2ccccc2)cc1 19935777 BVJZBTSQJJKPTD-IBGZPJMESA-N 388.489 2.726 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccc(F)c1 35289015 HYTHHKXYOHUZQS-UHFFFAOYSA-N 380.416 2.548 0 40 GFAB COc1ccc(-c2nccc3ccn(CC(=O)N[C@@H]4CCC[C@@H]4O)c23)cc1OC 12135471 SOAAQPTUMVNBOS-SJORKVTESA-N 395.459 2.750 0 40 GFAB CN(C)C(=O)c1cnc(C2CC2)nc1-c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 12325411 YTOVCVJSIMOKFT-SFHVURJKSA-N 394.475 2.518 0 40 GFAB Cc1ccn(-c2ccc(N3CCN(c4ncccc4C(F)(F)F)CC3)nn2)n1 1889147508 AASJWLPGYNOKIE-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB COc1cc(C)ccc1CN1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984084 PNHIYWJATRGHPR-QHCPKHFHSA-N 396.487 2.638 0 40 GFAB O=C([C@H]1CN(Cc2c(F)cccc2Cl)CCO1)N1CCC(F)(F)CC1 2087138886 ISGUQTFLWLYMCF-OAHLLOKOSA-N 376.806 2.938 0 40 GFAB CCOc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 5075994 HAFPSUDLYKRMBX-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 9037073 OGWRQFZOMIHTJT-CQSZACIVSA-N 378.881 2.980 0 40 GFAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)Cc2ccsc2)CC1 2055750563 DJHSXAIHLJLTFI-UHFFFAOYSA-N 387.505 2.519 0 40 GFAB O=C(c1cc(F)ccc1Br)N1CCC(CN2CCOCC2)CC1 40118563 SGVQUHVBZAIBEM-UHFFFAOYSA-N 385.277 2.773 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOC 40129508 KOXQHCYOSCCVDG-UHFFFAOYSA-N 384.498 2.625 0 40 GFAB COc1c2c(cc3c1[C@@H](c1c(O)c4ccccc4oc1=O)N(C)CC3)OCO2 20113691 VJLLAJFALOGHNM-KRWDZBQOSA-N 381.384 2.813 0 40 GFAB biogenic O=C(O)[C@H](c1c[nH]c2ccc(CO)cc12)N1CCN(Cc2cccs2)CC1 32094761 DFFCKFCZKZIKSH-IBGZPJMESA-N 385.489 2.665 0 40 GFAB O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccc(F)cc1 20811533 CBJCVOYPASUNJH-UHFFFAOYSA-N 395.438 2.632 0 40 GFAB Cc1ccc(S(=O)(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)cc1 32327272 SQZZIXJVHNTWKS-UHFFFAOYSA-N 391.452 2.981 0 40 GFAB Cn1ccnc1Sc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 21323883 GPDAVNXKAJGPPU-UHFFFAOYSA-N 387.534 2.897 0 40 GFAB CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(Cn2cncn2)cc1 32889759 PSSHEBWMSNHZJG-UHFFFAOYSA-N 383.427 2.686 0 40 GFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]1CC(=O)N(C(C)C)C1 32816066 JPBPFWBOMKXZNH-LBPRGKRZSA-N 399.413 2.538 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 32983794 SYVQAIQCDQXFBC-HXUWFJFHSA-N 386.517 2.965 0 40 GFAB Cn1cc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1C(N)=O 103061661 KDHZQAURUPFHML-UHFFFAOYSA-N 391.399 2.870 0 40 GFAB CC[C@@]1(C)NC(=O)N(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)C1=O 22017801 BKNSQFPLTUEDFE-CQSZACIVSA-N 392.765 2.522 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)NCCc2c[nH]c3cccc(C)c23)no1 103130009 BYKMLCGFTCRELD-UHFFFAOYSA-N 386.477 2.803 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 103120464 MFVFGPIAIHRKBZ-OKILXGFUSA-N 383.473 2.596 0 40 GFAB CCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 6168803 QPYZHGXKHOXJNI-CQSZACIVSA-N 376.478 2.872 0 40 GFAB CC[C@H](C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 7557705 ZNTMFOBUCLVFCU-AWEZNQCLSA-N 397.427 2.760 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 7871817 JMTMNRJPAZLESG-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 25448159 GSXFDRYUTUYZTN-UHFFFAOYSA-N 377.853 2.726 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1OC 23741747 HIOSMMKCJGGUBL-UHFFFAOYSA-N 380.448 2.538 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 106541133 BTIXHIAHTXHLNC-DFEOGRTESA-N 378.538 2.913 0 40 GFAB CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(-c2ccccc2)n1 57527309 JFRHMMIADLNNLP-UHFFFAOYSA-N 377.444 2.798 0 40 GFAB COc1cccc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)c1 57522610 XPNXCRIXSPXVTG-UHFFFAOYSA-N 391.431 2.815 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccco1)NC2=O 100181401 PDUFOBXTUSCOGH-ZDAGVSNUSA-N 396.443 2.859 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1N1CCCC1=O)OCO2 12610381 IJBWSJNQEYGIPT-UHFFFAOYSA-N 395.415 2.795 0 40 GFAB CC(C)[C@H](NC(=O)CNC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 58225081 JHIJYHLHBMHVDS-SFHVURJKSA-N 378.432 2.980 0 40 GFAB CC(C)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)[C@H]1C[C@@H]1C)CC3 100233748 PGMLGMNKSOIYRD-DOXZYTNZSA-N 397.523 2.911 0 40 GFAB COc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)c(OC)c1 27022007 QUKBYMAOAUCZMM-SPFIUAHJSA-N 397.481 2.948 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1[nH]nc(C2CC2)c1Br 58394184 HBKLRWKBHFRMNN-LLVKDONJSA-N 392.253 2.962 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccccc1F 22335149 WBWAXUFAPVEEQY-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 10449783 HOVGMUJFXGCTOH-OAHLLOKOSA-N 388.489 2.747 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 10946495 MCZRWMPVMGXAHS-FMIVXFBMSA-N 377.400 2.612 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 12795850 GXIWTZNKCRVVNV-UHFFFAOYSA-N 399.878 2.855 0 40 GFAB NC(=O)N[C@@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 11272815 IFELVUBIKDHBEL-SFHVURJKSA-N 386.883 2.788 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCN(C(=O)N2CCCCC2)CC1 48303293 ZSWGTRJXCXXBLW-UHFFFAOYSA-N 388.468 2.603 0 40 GFAB NC(=O)Cc1ccc(C(=O)CSc2nnc(NCc3ccco3)s2)s1 12984052 ZIYJLNWCDHYWJY-UHFFFAOYSA-N 394.503 2.808 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 12928294 LPMNZVDPVRHKEG-UHFFFAOYSA-N 381.476 2.829 0 40 GFAB COc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)NC2CC2)cc1OC 8982778 NWCJRAPWNGZYDL-UHFFFAOYSA-N 396.490 2.767 0 40 GFAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059965 GINKRXTURSMZJN-AWEZNQCLSA-N 384.871 2.582 0 40 GFAB COCCCn1c(C(=O)Nc2ccccc2)cc2c(=O)n3ccccc3nc21 5240616 SWACEFCXSAFGLQ-UHFFFAOYSA-N 376.416 2.938 0 40 GFAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc[nH]c1=O 65523490 QOGGBNXSKDLANY-GFCCVEGCSA-N 383.351 2.835 0 40 GFAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CCN(CC2CC2)CC1 65523053 KUTFUHMWAUJVBN-QGZVFWFLSA-N 376.932 2.904 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCNCC2)cc1 6595773 AKSHGIDLVZOMDI-OAQYLSRUSA-N 395.503 2.751 0 40 GFAB O=C1C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(=O)N1Cc1ccccc1 6646436 BIBBYUHDPWBDAL-UHFFFAOYSA-N 396.790 2.881 0 40 GFAB CCc1ccc2c(COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc(=O)oc2c1 5876650 IQAZBBSNNZZUTK-YWZLYKJASA-N 387.457 2.853 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C)ccc1C 7505376 QWPADYDSHPVJOR-UHFFFAOYSA-N 379.434 2.908 0 40 GFAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 9319671 PSEHYIONJFWKSV-UHFFFAOYSA-N 383.355 2.697 0 40 GFAB CCc1nnc(SCC(=O)Nc2c(C)cc(Br)cc2C)n1N 409005463 DQCWMZYETBFARB-UHFFFAOYSA-N 384.303 2.664 0 40 GFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)c1ccc(F)c(F)c1 16208082 WWYSRNOPPINGQR-LLVKDONJSA-N 397.399 2.643 0 40 GFAB CCN(c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1)C(C)C 16400267 DMOCORUFBHKACF-OAQYLSRUSA-N 398.463 2.920 0 40 GFAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1 8485267 HBLSVPFDEMNUBS-UHFFFAOYSA-N 379.526 2.674 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCc1nc2ccccc2c(=O)[nH]1 17793461 MNHWSWGNNMKPGJ-UHFFFAOYSA-N 392.459 2.570 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 18120476 FVKQFELKGIGCNI-ZFCANOHDSA-N 389.883 2.517 0 40 GFAB CC(C)n1ncc2cc(NC(=O)NC[C@H]([C@H]3CCOC3)N3CCCC3)cnc21 69922912 XETNWMFXHOFFCA-MAUKXSAKSA-N 386.500 2.635 0 40 GFAB Cc1c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)[nH]c2c1C(=O)CCC2 84066616 ACRGAJMAMJTWDR-UHFFFAOYSA-N 379.460 2.895 0 40 GFAB Cc1ccccc1[C@H](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)NC(N)=O 27843566 DHZYYBCOVSDWRK-XLIONFOSSA-N 380.492 2.737 0 40 GFAB O=C1OCCN1c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 84387644 OGJHFGXWILWIND-IAGOWNOFSA-N 376.478 2.770 0 40 GFAB COC(=O)[C@@H](c1ccccc1)N(C)C(=O)CCCc1ccc2c(c1)CC(=O)N2 95398788 ZGRHURDJTZPTEC-OAQYLSRUSA-N 380.444 2.877 0 40 GFAB CCS[C@@H](C)c1noc(CN2C[C@H](C(=O)N(C)C)Oc3ccccc32)n1 84811760 ROUITSMQDHAZPD-SWLSCSKDSA-N 376.482 2.740 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 9952069 NUOUPMOYIMWDNK-LGMDPLHJSA-N 382.449 2.684 0 40 GFAB Cc1nc(NC[C@@H](Cc2cnn(C)c2)C(N)=O)c2c(CC(C)C)csc2n1 89708949 BOPIEVUEKGOAEA-CQSZACIVSA-N 386.525 2.688 0 40 GFAB O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC(c2ccncc2)CC1 514660145 UWXNGJIZTLSXEG-LJQANCHMSA-N 382.439 2.915 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)s1 36700286 GNNVJVTVBJLNIJ-KRWDZBQOSA-N 380.535 2.798 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1ccc(F)c(F)c1F 32908069 HBPHFPYKRZXALN-UHFFFAOYSA-N 395.356 2.640 0 40 GFAB COc1ccc2c(c1OC)CN(C)CCc1cc3c(c(OC)c1C(=O)C2)OCO3 31829742 LLTCRRPEZHDFFY-UHFFFAOYSA-N 399.443 2.854 0 40 GFAB biogenic COc1ccc(N2C[C@@H](c3noc(-c4ccc5c(c4)OCO5)n3)CC2=O)cc1 44417567 WWONMXMNFVYXTO-ZDUSSCGKSA-N 379.372 2.994 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c1 225412782 BZTDLVRPIHJWOF-UHFFFAOYSA-N 390.505 2.745 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(F)c3)no2)c1=O 73679265 UZUGYPDDRFEQII-UHFFFAOYSA-N 380.379 2.811 0 40 GFAB CC(C)Sc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)s1 223197158 FWDHPWQYPKSHAA-UHFFFAOYSA-N 386.524 2.687 0 40 GFAB CN(c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(C)(=O)=O 223860477 HOPQIRKOFZJHND-UHFFFAOYSA-N 382.869 2.545 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCOc1ccc2ccccc2c1 223615702 QVMKZMRBVJXTRY-BGYRXZFFSA-N 392.455 2.676 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(F)cc1 223746533 QOBQPZZXYCHWFT-UHFFFAOYSA-N 380.441 2.656 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224160181 SYCJRDOVNWRSAR-UHFFFAOYSA-N 397.880 2.933 0 40 GFAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc[nH]2)c2ccccc21 575444464 DDOPHDHTHFSDHK-OAHLLOKOSA-N 383.452 2.976 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)Cc1ccccc1 222765252 MWBKHFICPLNMED-UHFFFAOYSA-N 394.924 2.851 0 40 GFAB CC1=NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2N1CC(C)C 223121687 AZRFVEAKNQWZMW-UHFFFAOYSA-N 395.525 2.815 0 40 GFAB COCCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cn1 225919793 OINWTHIKPMVPPM-UHFFFAOYSA-N 390.411 2.936 0 40 GFAB O=C(CCN1C(=O)c2ccncc2C1=O)NCCc1c[nH]c2ccc(Cl)cc12 95477574 TVGSBNTXYUSGII-UHFFFAOYSA-N 396.834 2.561 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccccc1F 96520148 INGYHKOWESSLIW-ZJUUUORDSA-N 392.617 2.621 0 40 GFAB Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@H](c1ccc[nH]c1=O)SCC(O)=N2 95473694 KRYYPSYICWWYND-INIZCTEOSA-N 396.428 2.991 0 40 GFAB Cn1cc(N2CCN(Cc3ccccc3)C3(CCN(CC4CC4)CC3)C2=O)cn1 96230353 XOEABGGVUOWZRS-UHFFFAOYSA-N 393.535 2.514 0 40 GFAB CCc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1 96237731 HWMGOJKJMCCNOX-QHCPKHFHSA-N 377.488 2.812 0 40 GFAB Cc1noc(C[C@@H](NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2)n1 580988447 FJRKBZAVKZSBSO-QGZVFWFLSA-N 379.416 2.792 0 40 GFAB COc1ccc(C(=O)CNC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1 96114607 DPJGOBJIANTBKQ-FQEVSTJZSA-N 380.444 2.675 0 40 GFAB biogenic Cn1cc2c(n1)CCC[C@H]2NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 585080056 ZFRFCZMQTODRJQ-GOSISDBHSA-N 384.455 2.605 0 40 GFAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1cc(=O)c2ccccc2o1 252537525 LNDABOILYDNTNX-HDJSIYSDSA-N 383.379 2.842 0 40 GFAB CCn1c(CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)nc2ccccc21 24537641 WJNNZRZSWHOBMI-OAHLLOKOSA-N 392.459 2.877 0 40 GFAB COCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 257319831 VUFLIXBAAHSKPW-GOSISDBHSA-N 380.492 2.700 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1ccc(Br)cc1 630196077 XPJUYOQNVJFKFU-JKSUJKDBSA-N 389.249 2.713 0 40 GFAB CS(=O)(=O)CCc1noc(CCc2nc3ccccc3n2-c2ccccc2)n1 632235284 MPHFDFNSSNRNDT-UHFFFAOYSA-N 396.472 2.781 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCOC[C@@H]1c1cccc(F)c1 657169247 MRYBJRQQJBKBCW-QGZVFWFLSA-N 393.436 2.749 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](OC)c1ccccc1OC 96385249 NSOBUUQARYPDKS-QGZVFWFLSA-N 392.839 2.800 0 40 GFAB O[C@@H]1CCN(C2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)C1 1776001451 UDWXOTHJLVEUDN-GFCCVEGCSA-N 394.235 2.898 0 40 GFAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89385920 VDBYWVGYPVEBOA-LSDHHAIUSA-N 384.263 2.614 0 40 GFAB CC1=CC2=NC(=O)C[C@](C)(C(=O)N3CCC(O)(c4ccccc4C)CC3)N2C=C1 12290339 JWXQNJYLAFTFMW-JOCHJYFZSA-N 393.487 2.668 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497294 JWHVOBLPPCZCFU-RTXPOLOASA-N 392.455 2.685 0 40 GFAB Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 12983636 RIDTYVAHRLMTPJ-OAHLLOKOSA-N 376.478 2.679 0 40 GFAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 16255423 KGFYTPSMWBGLNH-KRWDZBQOSA-N 396.230 2.670 0 40 GFAB O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19014526 IFKPUVIUSVTEBX-MRXNPFEDSA-N 384.524 2.577 0 40 GFAB CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N3CCN(Cc4ccccn4)CC3)c2C1 19082386 HQFDTJQBQIMLNP-MRXNPFEDSA-N 381.524 2.914 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCC(=O)Nc1nccs1 19130336 QENVYXKBUYTAHY-GXTWGEPZSA-N 396.476 2.501 0 40 GFAB Cc1noc(C)c1-c1ccc2c(c1)CN1CCC[C@@H](C1)C(=O)NCCOCCO2 643571954 UFQHZEKMZMLRQW-SFHVURJKSA-N 399.491 2.696 0 40 GFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCC3CC3)ccc21 643584548 QDCOMADJZRWWRI-UHFFFAOYSA-N 387.524 2.860 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)ccc3c(=O)n2CC1 12187080 BQJHXMXWGROEFC-QFBILLFUSA-N 396.535 2.972 0 40 GFAB COC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12220049 NSPDNXJFAQRJPL-UHFFFAOYSA-N 387.461 2.857 0 40 GFAB COc1cccc(-c2noc([C@H](C)NC(=O)C3(C(=O)O)CC4(CCC4)C3)n2)c1 659123334 OKLREQFUWHEEPH-LBPRGKRZSA-N 385.420 2.958 0 40 GFAB O=C(NCc1nnnn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 593438071 CCDBOIJOTSQWKK-UHFFFAOYSA-N 378.314 2.883 0 40 GFAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cc(Cl)ccc1-n1cncn1 6370713 YCOWEWOBPFLXDC-UHFFFAOYSA-N 396.794 2.593 0 40 GFAB FC(F)(F)c1cccc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 1888899272 DKUBSIQHTDIYAC-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB CN([C@@H]1CCN(c2cnc3ccccc3n2)C1)S(=O)(=O)Cc1ccccc1 1888967208 IRCLSIOQACLMEL-QGZVFWFLSA-N 382.489 2.670 0 40 GFAB CC(C)Cc1cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)n(C)n1 2037909221 DZSZCOAWYGGBCC-OAQYLSRUSA-N 389.471 2.804 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)c1 5329120 WHDAJEMMJHKOON-UHFFFAOYSA-N 394.518 2.816 0 40 GFAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)c1ccccc1 12422924 HQYODQZNZQYGEQ-GFCCVEGCSA-N 382.445 2.504 0 40 GFAB Cc1ccc(-c2noc(-c3cccn(CC(=O)NC4CCCC4)c3=O)n2)cc1 16843497 HECNOHFUOSDCOK-UHFFFAOYSA-N 378.432 2.933 0 40 GFAB COc1ccc(OC)c(N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)c1 49391855 NBNZASVPLKPBSW-UHFFFAOYSA-N 397.431 2.787 0 40 GFAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19499443 RDDWIBNAJPGLLH-ROUUACIJSA-N 396.491 2.652 0 40 GFAB CC[C@@H](C)NC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@@H]2SC1(C)C 4081092 FNAYHWOEEFYCAK-TZOQJCELSA-N 378.494 2.967 0 40 GFAB biogenic CCOC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40312455 DRIXRGOFTAVZKS-NRFANRHFSA-N 393.399 2.643 0 40 GFAB biogenic CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 31903929 OUOWOYHOTLYQRY-UHFFFAOYSA-N 396.292 2.966 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc2c(cc1Cl)OCCO2 102424467 MLAKXWCQRMDTKN-TXEJJXNPSA-N 392.839 2.615 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C[C@H](C)O1 32824489 BOKJZJXSRVRLER-HOTGVXAUSA-N 382.460 2.955 0 40 GFAB O=C1CN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Cl)CCN1 32915403 QDVSDWQQPPNGSR-UHFFFAOYSA-N 394.258 2.947 0 40 GFAB COC(=O)[C@@](NNc1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F 2050394 CNWIDLMXJJUTGO-INIZCTEOSA-N 385.317 2.604 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CCC)C(=O)O)ccc12 2104190 FUZDNNDXMUGHAC-LRDDRELGSA-N 375.421 2.882 0 40 GFAB biogenic NC(=O)c1ccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc1 2633702 WMZIHDBIESAQBV-UHFFFAOYSA-N 384.407 2.918 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 4059116 RVOGAVIUTSCQMF-UHFFFAOYSA-N 388.474 2.708 0 40 GFAB CCOC(=O)[C@H]1CCCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)C1 4101994 YNDYNCRMHVPMBB-AWEZNQCLSA-N 381.436 2.604 0 40 GFAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 4890122 PTPMXMXWPZBLMO-UHFFFAOYSA-N 398.459 2.615 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2N)cc1 5047361 OVVAZCASODBGMM-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB Cc1cccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1 5075777 NSYQVRCCCKPARX-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB CCCc1cc(=O)n(CC(=O)NCc2ccc(C)cc2)c(-n2nc(C)cc2C)n1 5254788 HZJMHFZTCWVUNR-UHFFFAOYSA-N 393.491 2.623 0 40 GFAB Cc1ccc(SCCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 6126546 VQBPLWSUXLEBAZ-UHFFFAOYSA-N 378.519 2.734 0 40 GFAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6306804 JRQAFHZKYUCCGD-UHFFFAOYSA-N 390.505 2.658 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 6432673 RMYYLPHCAAGWHI-UHFFFAOYSA-N 383.492 2.948 0 40 GFAB COc1ccc(C(=O)OCc2ccc(C)cc2)cc1S(=O)(=O)NC1CC1 6536947 RPPNIDFUVPXTAU-UHFFFAOYSA-N 375.446 2.801 0 40 GFAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnnn1C 6643499 VUMGIXDVKVZYNQ-UHFFFAOYSA-N 375.376 2.749 0 40 GFAB CC(=O)NCc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)o1 6649972 KAQRZNXGDFXKJA-UHFFFAOYSA-N 384.461 2.839 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 6680600 AQRSFCDGDQOQLW-UHFFFAOYSA-N 394.474 2.572 0 40 GFAB C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)c1c[nH]c2ccccc12 7720427 XIJNCHFBJJYONP-CYBMUJFWSA-N 391.383 2.799 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(N2CCCC2=O)cc1 8243035 GFKLHOSHRIUNFT-UHFFFAOYSA-N 379.416 2.568 0 40 GFAB CC[C@H](C)c1ccc(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 8395767 TYGQGUSRFKYVOB-ZDUSSCGKSA-N 378.432 2.648 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1OC 8476013 DPYXYVRIUALYEY-UHFFFAOYSA-N 399.266 2.618 0 40 GFAB CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)NC1=S 8997356 FJMLSUBLPZDWFA-CQOVVYFZSA-N 391.924 2.893 0 40 GFAB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10232479 ZUPXZDKGPNDVBT-QGZVFWFLSA-N 393.403 2.714 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NCC1CCCCC1 10402168 UUXAVEJEOUAOBO-AWEZNQCLSA-N 381.494 2.640 0 40 GFAB O=C(c1ccc(Br)s1)N1CCC[C@@H](c2ccnc3ncnn23)C1 12118847 XMESUTKYWJHMLF-SNVBAGLBSA-N 392.282 2.968 0 40 GFAB O=C(COc1ccc(F)c(Cl)c1)N1CCC(c2n[nH]c3nccnc23)CC1 12228502 MUMDCVYZTHHZKM-UHFFFAOYSA-N 389.818 2.930 0 40 GFAB CC(C)(C)C(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12560840 QEZQGMKNHNPRSK-UHFFFAOYSA-N 392.452 2.972 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 12621938 MIXMNPLORLYKBN-ZDUSSCGKSA-N 387.823 2.578 0 40 GFAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C(N)=O)CC1 12736020 MYVOTYGGWXVVMI-UHFFFAOYSA-N 377.441 2.507 0 40 GFAB COC(=O)c1cc(NC(=O)Cc2sc(SC)nc2C)cc(C(=O)OC)c1 12786860 PHDXFEBLFBMEBL-UHFFFAOYSA-N 394.474 2.928 0 40 GFAB COc1cc(C(=O)Nc2nc(C)c3c(n2)C[C@H](C)CC3=O)cc(OC)c1OC 13636142 UODKQGRDSKVLTM-JTQLQIEISA-N 385.420 2.828 0 40 GFAB O=C(Nc1ccnc(Cl)c1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 13718717 KODBPQYMJYJVCE-UHFFFAOYSA-N 394.258 2.837 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccc2O)N1Cc1cccnc1 13725899 RLCLRDFXSYKCAR-RXVVDRJESA-N 396.468 2.636 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCCc2ccccc21 14020320 PRDSKGPGWLETTR-LJQANCHMSA-N 387.505 2.613 0 40 GFAB C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)NC(=O)NC1CC1 14898054 OOFHRCKKFVODPJ-WXLQGSQKSA-N 375.429 2.583 0 40 GFAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858250 RXHMRUAXNYYBHT-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB CCCc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=S)n1-n1cccc1 16777863 XJXRTXVAICDSID-UHFFFAOYSA-N 385.449 2.847 0 40 GFAB Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2cc3ncccc3c(=O)[nH]2)C1 19236030 GIBJRWWRFAKASV-MRXNPFEDSA-N 377.444 2.935 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 19288963 ZSMCXDUSUGHLTC-QGZVFWFLSA-N 379.508 2.919 0 40 GFAB COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)ccn1 19550285 SNPOYMVYTPMYGE-CQSZACIVSA-N 396.472 2.922 0 40 GFAB CCn1cncc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19578364 OZLDMXGSUJFULO-UHFFFAOYSA-N 383.477 2.735 0 40 GFAB CC(=O)NCc1ccc(-c2ccc(C(=O)N[C@@H]3CCCN(C)C3)c(C)n2)cc1 19700540 PIFQEAANGJBABN-LJQANCHMSA-N 380.492 2.517 0 40 GFAB CC(=O)N1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19754088 KPKQVMMGTCRQNJ-KRWDZBQOSA-N 382.445 2.863 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 22329128 GRDJAJNLDYKOAH-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1S(N)(=O)=O 29518729 LWTIDUGHCQERLE-UHFFFAOYSA-N 399.266 2.666 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(Cl)cc2)c1 32341435 OKOAWPPXVUNOLC-UHFFFAOYSA-N 398.937 2.911 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2CC(N)=O)c1 32741945 LRSOKBUQIUNCLN-UHFFFAOYSA-N 399.451 2.609 0 40 GFAB CCCN(CCC)C(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 33550268 KODKDMYVRMAYFZ-UHFFFAOYSA-N 384.480 2.948 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)c1 33627961 AHIICYDYKUHRBB-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB CC[C@@H](CCNC(=O)c1cc(-c2ccccc2)nc2ncnn12)n1cccn1 36619515 QVDPJKVYMZATMR-INIZCTEOSA-N 375.436 2.759 0 40 GFAB C[C@@H](Cc1ccccc1Cl)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 40111999 OKFTWZRYNQSKQQ-AWEZNQCLSA-N 398.898 2.742 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(Cc2ccsc2)CC1 43940956 HDVBTNDSIWJWOX-UHFFFAOYSA-N 389.496 2.532 0 40 GFAB O=C(Cc1ccc(F)cc1)NCC1CCN(C(=O)COc2ccccc2)CC1 43980950 BAZSMDGKWWAEPK-UHFFFAOYSA-N 384.451 2.802 0 40 GFAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c(C)c12 44723581 POSOETMGGITMLU-GFCCVEGCSA-N 395.550 2.770 0 40 GFAB CC(C)Cn1nc(C(=O)Nc2nc3c(s2)CN(C)CC3)c2ccccc2c1=O 45050156 HFOVXOUQYAPNNI-UHFFFAOYSA-N 397.504 2.749 0 40 GFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 55252389 UOSCLERFAYGGDM-IBGZPJMESA-N 394.427 2.794 0 40 GFAB CC(C)c1nnc2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3ccccc3n12 57522605 MTLRKVDEISREFR-UHFFFAOYSA-N 379.395 2.945 0 40 GFAB O=C(CN1CC[C@H](c2ccccc2)C1)NCc1cccc(N2CCCC2=O)c1 69879456 KZKDAYRSOJEQFC-FQEVSTJZSA-N 377.488 2.919 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 72391802 URCRXHAGJINJIN-UHFFFAOYSA-N 382.855 2.695 0 40 GFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 89919954 MPKBVGFPVAUORT-QVKFZJNVSA-N 380.444 2.654 0 40 GFAB Cc1ccsc1[C@H](O)CNS(=O)(=O)c1ccccc1Br 90583448 SSDUQIXEFJRBIA-LLVKDONJSA-N 376.297 2.831 0 40 GFAB CC[C@@]1(C(=O)NCc2ccc(C(=O)NC)cc2)CCCN1C(=O)OC(C)(C)C 95459117 KDTOZIONJJBKQH-NRFANRHFSA-N 389.496 2.842 0 40 GFAB COc1ccc2nnc(CCCC(=O)N3CCC(Cc4ccccc4)CC3)n2n1 95475935 ULGRWSDJSJLZIR-UHFFFAOYSA-N 393.491 2.937 0 40 GFAB Cc1ccc(-c2nc(NC(=O)c3ccnc4c(C(N)=O)cnn34)sc2C)cc1 95978112 JVXONRWMCBBEHC-UHFFFAOYSA-N 392.444 2.821 0 40 GFAB COCCOc1ccc(S(=O)(=O)N2CCCOc3ccc(C)cc32)cc1 95995693 OGMSZQSKQDXZTO-UHFFFAOYSA-N 377.462 2.998 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100395040 RMQCCKLLPIYWAU-USJZOSNVSA-N 383.444 2.994 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 102331991 DMPCEGOONBUGJA-GOSISDBHSA-N 380.444 2.702 0 40 GFAB Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)c1 107234215 WLNBFPYKBDAKME-HKUYNNGSSA-N 390.530 2.774 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 111882657 BOIJHDHEKLBEQH-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3)n2)c(OC)c1 219492036 XDSCUSRDSSWOMJ-CYBMUJFWSA-N 383.404 2.838 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 223414439 KGLLMGZEVPNBIR-LJQANCHMSA-N 388.439 2.767 0 40 GFAB Cc1cc(Cl)ccc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 223676530 VTQWNYXKZSVABP-UHFFFAOYSA-N 398.887 2.912 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224047464 XTTSDOUNNMCSOD-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 224050399 KUCYBMFYDHHUFF-QGZVFWFLSA-N 384.476 2.670 0 40 GFAB COCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC 224403012 CLBVVDFIZHJTIQ-UHFFFAOYSA-N 387.388 2.667 0 40 GFAB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224706166 BJYWZYMYZKEGNT-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224903627 KIOKCJGDRRQHJB-UHFFFAOYSA-N 390.461 2.955 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCc3ccc(OC)cc3)ccc21 225358021 RGUMYAXBYHKZNU-UHFFFAOYSA-N 388.489 2.515 0 40 GFAB CCOc1ccccc1CNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225442335 BCEYGHBKBIAAGA-UHFFFAOYSA-N 393.534 2.968 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225478630 APBZJYBZTAYKDV-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1ccc(F)c(Cl)c1 225564502 PJYXINMTKWOUNS-UHFFFAOYSA-N 390.908 2.648 0 40 GFAB CCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c1 225693161 HLSANTFLMWPUMN-UHFFFAOYSA-N 392.502 2.960 0 40 GFAB Cc1ccc(C(=O)N2CC3(C2)OCC[C@H]3COCC2CCOCC2)cc1F 248136343 ZUBVGXUEMLQTRT-SFHVURJKSA-N 377.456 2.808 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1F 253472035 IKXQCXJRDTVNTL-QGZVFWFLSA-N 390.440 2.536 0 40 GFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3ccnn3C)C2)cc1 257327647 XCESXKJUMPDSNW-KRWDZBQOSA-N 392.507 2.941 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)c(C)o1 306141375 VTIZQJLYIDLYRX-UHFFFAOYSA-N 395.463 2.825 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)COC)cc1NC(=O)c1ccccc1 408597201 UCXYNYRKZJKHLE-CQSZACIVSA-N 392.477 2.651 0 40 GFAB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1cc(O)nc(O)n1 408718128 KYUYXSAHVODWOE-UHFFFAOYSA-N 375.344 2.857 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 518916340 ADIAZWITMRADEJ-HNNXBMFYSA-N 399.445 2.852 0 40 GFAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Oc2cccc(F)c2)cn1 562647172 ZUZXJUOOMQGEPM-OAHLLOKOSA-N 397.328 2.906 0 40 GFAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCC(F)(F)CC2)C1 575406816 UTYYEWGTQHCIJL-MRXNPFEDSA-N 382.455 2.850 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccnc1-c1cnccn1 575610835 YWSDOMGIBACHSG-UHFFFAOYSA-N 385.855 2.967 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCc2cncc(-c3ccoc3)c2)cc1 575620210 KZDCQIPYMCNVGI-UHFFFAOYSA-N 384.457 2.994 0 40 GFAB Cc1c(CC(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(C(C)(C)C)c2)cnn1C 585093511 QJUNLDFBJGJWHP-IBGZPJMESA-N 385.512 2.603 0 40 GFAB CO[C@@H](C(=O)N1CCOc2c(Cl)cc(Br)cc21)[C@@H]1CCOC1 622873430 OBMCVWDMIBEMRZ-NOZJJQNGSA-N 390.661 2.879 0 40 GFAB CCN(CC)C(=O)COc1ccc(N2C(=O)N3CC4CC3(C4)C2=O)cc1Cl 656571325 VORSMVQZOLQZRK-UHFFFAOYSA-N 391.855 2.518 0 40 GFAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)/C=C/c1cccs1)C2 1565554261 WFDQCSRQDSEWLL-AATRIKPKSA-N 386.521 2.913 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155428 HUGYXVSWBDKMIX-QFIPXVFZSA-N 380.444 2.733 0 40 GFAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(c2ccccc2)CC1 2722874 APHJSYFCUAJPMJ-UHFFFAOYSA-N 390.468 2.872 0 40 GFAB Cc1c(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(=O)[nH]c2ccccc12 79018136 NDXUARWPNZPAPZ-HNNXBMFYSA-N 395.503 2.947 0 40 GFAB COc1ccc(CN(C)C(=O)COC(=O)c2ccc(C)cc2OC(C)=O)cc1 79104129 VTWPAAJUVOSQLU-UHFFFAOYSA-N 385.416 2.744 0 40 GFAB CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCC1 41778389 CTPBICSOGRPSEN-MRXNPFEDSA-N 377.510 2.589 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCCN1CCCc3ccccc31)C(=O)C2 103652826 YRPYFZNVDJGNQG-LAUBAEHRSA-N 390.549 2.754 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cc(C)cc(C)c1 7723502 IUVHXLMDYOPYBP-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(-n2cnnn2)c1 7735260 ORZONDMCBIJPBU-UHFFFAOYSA-N 392.371 2.942 0 40 GFAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)CCC1=O 7928538 PGSUEWFXSQLKSS-HNNXBMFYSA-N 392.411 2.607 0 40 GFAB CS(=O)(=O)N(Cc1nnc(S)n1-c1ccccc1)c1ccc(F)cc1 12324912 XWUAPMGOKSIGLG-UHFFFAOYSA-N 378.454 2.661 0 40 GFAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 101047681 FMJOKPRBXJEFND-OEMYIYORSA-N 376.449 2.630 0 40 GFAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1C 8732532 BFTQFEBIVZKLME-OAHLLOKOSA-N 382.416 2.758 0 40 GFAB NC(=O)c1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 47438455 RHESWOAPYPAKDH-XMMPIXPASA-N 399.450 2.976 0 40 GFAB O=C(CN1CCSc2ccccc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 23707257 RTOGBLGUOFRFCZ-MRXNPFEDSA-N 394.562 2.557 0 40 GFAB Cc1noc(C2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)n1 54663841 YDGXZQUGJYVSST-UHFFFAOYSA-N 376.844 2.558 0 40 GFAB C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(-n2ccnc2)cc1 12549540 YNBSYBKFCCZDMH-INIZCTEOSA-N 377.448 2.595 0 40 GFAB C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(-n2ccnc2)cc1 12520775 LXBBZEXCYMOCMI-OAHLLOKOSA-N 383.473 2.908 0 40 GFAB O=C(c1cc(F)c(F)c(F)c1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25515374 ZJIXTAYCYNGZSL-UHFFFAOYSA-N 396.340 2.930 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 25765347 CFHRDMBQRTZMBT-QHCPKHFHSA-N 392.503 2.709 0 40 GFAB Cc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1ccc(Cl)cc1 25835248 LNMKUBQLAJOEMI-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1NS(C)(=O)=O 44036625 ASORTFQXMMQUOT-CABCVRRESA-N 378.425 2.948 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 12677621 SPYRBNDUKRCOJB-INIZCTEOSA-N 380.853 2.533 0 40 GFAB O=C(Nc1ccccc1)C1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 58160782 GFJPFBSIDUOWOJ-UHFFFAOYSA-N 384.480 2.549 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2c(Cl)cccc2Cl)n1 101590854 NOOZLSAWAGEZOY-SDADXPQNSA-N 392.242 2.905 0 40 GFAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 58329400 QVEYIXQDXWPGIK-UHFFFAOYSA-N 388.491 2.753 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3329502 IFMOAWIJKZFDFL-UHFFFAOYSA-N 390.461 2.501 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)CCN2CCC[C@@H]2c2cccs2)cc1 22199281 IVKAOXGJVSDQKG-OAHLLOKOSA-N 379.507 2.561 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 24980770 XVFQEYDVLHEQNI-UHFFFAOYSA-N 392.246 2.991 0 40 GFAB COc1cc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc(OC)c1 2343340 UGDFMIMQMWJJHV-UHFFFAOYSA-N 385.449 2.625 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1 2349552 FIBOBESXZMWOAE-UHFFFAOYSA-N 396.476 2.657 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)C1=NN(c3ccccc3)C(=O)CC1)OCO2 12818449 GBXUBMNACKXYJN-UHFFFAOYSA-N 379.372 2.739 0 40 GFAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC 3530343 MCVKWUQQZMDXQE-UHFFFAOYSA-N 391.807 2.513 0 40 GFAB Cc1ccc2oc(C(=O)NS(=O)(=O)N3CCc4sccc4C3)cc2c1 69561906 ZSAQKTTUSYUUMG-UHFFFAOYSA-N 376.459 2.836 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 13101848 IOFUTKGFKRAKST-UHFFFAOYSA-N 390.461 2.802 0 40 GFAB CCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 22276538 KTIRROOZINXHQO-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1cccc2nonc12 13691367 ZAYACCBUFGXBQX-UHFFFAOYSA-N 383.795 2.655 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](CN4CCOCC4)C3)cc2)n1 69744354 PNELAFKSRSGRDV-LJQANCHMSA-N 382.508 2.674 0 40 GFAB Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccco2)c(=O)n(-c2ccccc2)n1C 5113130 GSPHQXRMXUJVIU-AYJWMTRPSA-N 395.415 2.661 0 40 GFAB CCc1nnc(NC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)s1 18080031 JHWNDJGHQQXUMS-UHFFFAOYSA-N 396.538 2.702 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(-c2nnco2)cc1 5216698 WHAFMTMPERULHT-CYBMUJFWSA-N 378.388 2.879 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 4476391 OQIGVDABIMRWDU-SFHVURJKSA-N 375.787 2.885 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 111673455 WAUAWXNZSIRUPT-OKILXGFUSA-N 382.338 2.865 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1c1cccs1 14198269 IWYUINNIXAXUHJ-INIZCTEOSA-N 387.505 2.802 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)CN3C(=O)NC(CC)(CC)C3=O)c[nH]c12 5449299 OYWMZOZUDCCCFG-UHFFFAOYSA-N 399.447 2.567 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 4667020 FYBSMQFIIJNKNR-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB Cc1c(NS(=O)(=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 6919634 FHNRVEJPNRKCNX-UHFFFAOYSA-N 377.853 2.939 0 40 GFAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)NC1CCCC1 67208412 RAHVSXRMAINPKU-UHFFFAOYSA-N 387.443 2.770 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC[C@@H]4CC)ncn3n2)cc1 67208754 URCCQPCSDPGFCT-SFHVURJKSA-N 393.491 2.912 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1F 178781463 FOXVGAWZVPKVDH-UHFFFAOYSA-N 391.468 2.831 0 40 GFAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2c(F)cccc2F)c2ccccc2O1 7275926 KRFGXXQHVAQXFW-QGZVFWFLSA-N 389.402 2.697 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)Nc3ccc(Cl)cc3)no2)cn1 96001736 BIEWJRKRTGVERR-AWEZNQCLSA-N 388.815 2.729 0 40 GFAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCCc1c[nH]c2ccc(F)cc12 71287379 PWLOIBOBOFNGPR-UHFFFAOYSA-N 396.447 2.951 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)COc1ccc(-c2nnco2)cc1 7773941 RRXQYNURPWWFOM-QGZVFWFLSA-N 395.415 2.804 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(C3CC3)n2C)n1 8189414 MIFMZKUGDLOAKA-UHFFFAOYSA-N 384.469 2.504 0 40 GFAB CCOc1cc2c(cc1OCC)CN(Cn1nnc3ccccc3c1=O)CC2 8185595 HEZRYDKJFPIRQR-UHFFFAOYSA-N 380.448 2.605 0 40 GFAB CCCN1C(=O)/C(=c2\sc3nc(-c4cccs4)nn3c2=O)c2ccccc21 16733963 OFUJADHOXOVDIZ-PFONDFGASA-N 394.481 2.554 0 40 GFAB Cc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)n1 9426663 FAYCAQBZWIQTJT-MRXNPFEDSA-N 380.448 2.838 0 40 GFAB CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)C1=Nn2c(C)nnc2SC1 96792690 DOGCTLDKMISMFR-MDWZMJQESA-N 388.449 2.560 0 40 GFAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1 9800956 WOCAYBPXPXYEFN-UHFFFAOYSA-N 385.424 2.731 0 40 GFAB CC1CCN(C[C@@H](O)CNC(=O)c2csc(-c3ccc(F)cc3)n2)CC1 84699884 HCBMWUIYXSYHNI-INIZCTEOSA-N 377.485 2.772 0 40 GFAB O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306144181 YYCRLPCVRVYQQC-WBVHZDCISA-N 398.532 2.597 0 40 GFAB CS(=O)(=O)CC1(CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CCC1 95993129 VLDZWNCNTQJKGJ-KRWDZBQOSA-N 388.537 2.866 0 40 GFAB Fc1ccc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 306131809 KQAVRXRYFIRLOA-QGZVFWFLSA-N 381.455 2.695 0 40 GFAB Cc1cccnc1OC1CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 548718125 ARKORXYKRQLAJH-UHFFFAOYSA-N 381.461 2.987 0 40 GFAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1cccc(N2CCOCC2)c1 548772228 OJCFECPNHJWCDO-WSUXWNOTSA-N 384.520 2.861 0 40 GFAB CNC(=O)c1cc(NC(=O)CC2(Cn3cnnn3)CCCCC2)ccc1Cl 524732453 DWVVYDSPXCMNHD-UHFFFAOYSA-N 390.875 2.665 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217641070 SVPWGLJRZGXIHC-UHFFFAOYSA-N 384.498 2.834 0 40 GFAB O=C(CN(CCc1ccccc1)C(=O)c1csnn1)NCc1ccccc1 35292258 DNVBULWZLMPWJZ-UHFFFAOYSA-N 380.473 2.539 0 40 GFAB C[C@]1(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C(=O)N=C2C=CC=CN21 72346716 RHYKWIUJWVYOSK-KKSFZXQISA-N 375.432 2.699 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NCC(c2ccco2)c2ccco2)cc1 669895717 KXWVMGMYEHJTAR-UHFFFAOYSA-N 375.402 2.770 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 35982190 KVANZRNHIDIMQZ-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2 31810539 ZZHDQEUXKQHZFI-HNNXBMFYSA-N 395.423 2.761 0 40 GFAB NC[C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218529611 NSDWPWFPWWQESM-IXDOHACOSA-N 386.300 2.871 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](CC)c2ccccc2)ccc1OC 44883500 NCVRBYVIEDDUGZ-QGZVFWFLSA-N 376.478 2.875 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856416 JYIXNLGTZQLGTN-KXBFYZLASA-N 388.489 2.708 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 225593972 WBZAQYSKUPFXPG-UHFFFAOYSA-N 398.481 2.719 0 40 GFAB CN(CC(=O)NCc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1 226036379 LUTGAGHMPRHXES-UHFFFAOYSA-N 386.448 2.916 0 40 GFAB C[C@]1(c2cccc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2)NC(=O)NC1=O 47167327 JEGLQJMVZPVYAW-QGZVFWFLSA-N 393.321 2.892 0 40 GFAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc(C)c1)S(C)(=O)=O 220502057 ZTYUZORAHNOFSP-INIZCTEOSA-N 390.461 2.907 0 40 GFAB Cc1cccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 223989757 ZDSMAVMKVGHHFO-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB O=C(O)c1cnn(-c2cccc(NC(=O)[C@H]3CCCOC3)c2)c1C(F)(F)F 237959527 DLWOLRLCJBCVEY-JTQLQIEISA-N 383.326 2.954 0 40 GFAB C[C@@H]1CN(C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)CC[S@@]1=O 577235541 BQHQOUODCKDMNC-RYZVSIALSA-N 395.912 2.677 0 40 GFAB CN1C[C@H](NCC2CC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113509 DSSCLTIVLAXSQG-VQIMIIECSA-N 393.478 2.598 0 40 GFAB biogenic,in-vitro C=Cc1ccc(S(=O)(=O)N2CCCN(C3CCN(CC)CC3)CC2)cc1 580440267 RSARXICHXTZJRB-UHFFFAOYSA-N 377.554 2.510 0 40 GFAB COc1ccccc1CS(=O)(=O)NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 528986491 ALXUSUZRAIEONX-MRXNPFEDSA-N 397.399 2.741 0 40 GFAB Cc1cccc(C(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)n1 257338315 YWWGVAASXPWXRO-ZDUSSCGKSA-N 395.488 2.726 0 40 GFAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1nc2ccc(Cl)cc2s1 257290257 QCENWPIFIUWLKF-YOEHRIQHSA-N 381.885 2.504 0 40 GFAB CCOC1CC2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(OC)cc3)C2)C1 585082094 CEKHSMGUHBXGGT-GSVIPDFHSA-N 386.492 2.717 0 40 GFAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N[C@H](C)CC)c(C)n3n2)C1 257275061 NNTLWCIFFBKAOW-PBHICJAKSA-N 399.539 2.919 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)n1 257259960 LAUBESGEZFMPCK-TZIWHRDSSA-N 387.455 2.868 0 40 GFAB Cc1nccc(C(=O)N2CC[C@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)n1 257270131 MSXMRMQNLBTLDD-OAHLLOKOSA-N 378.436 2.552 0 40 GFAB COc1ccc(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1 36594930 ZCUPWBNEQHAAEY-GOSISDBHSA-N 381.432 2.534 0 40 GFAB biogenic Cn1cc(CCNC(=O)Cn2cc(-c3ccccc3)ncc2=O)c2ccccc21 604419553 CBWHIIGFYCEOPX-UHFFFAOYSA-N 386.455 2.761 0 40 GFAB Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 626927508 QGWPGBONFKQUFC-UHFFFAOYSA-N 393.447 2.610 0 40 GFAB CN(CCN(C)C(=O)c1cnc(C2CC2)s1)Cc1ccc2c(c1)OCCO2 1615611774 QJONYMJMHCXAEB-UHFFFAOYSA-N 387.505 2.996 0 40 GFAB Cc1cccc(CN2CC[C@@H](NC(=O)c3cccnc3-c3cnn(C)c3)C2)c1 634277440 NNNWVABLJBLAIG-LJQANCHMSA-N 375.476 2.795 0 40 GFAB CN1C(=O)C[C@@H](CN[C@@H]2CCOC2(C)C)[C@@H]1c1cnn(Cc2ccccc2)c1 645457922 DLYBIHQUVHUMAZ-FBBABVLZSA-N 382.508 2.608 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585172790 YUPNAFKDPWQJAM-HXUWFJFHSA-N 380.488 2.585 0 40 GFAB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)N=C1S 664731 DRFVADQCHASMJB-WJDWOHSUSA-N 382.489 2.753 0 40 GFAB COc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc2c1OCO2 12089075 VFDMEHRACQXZFG-AQKKSAQBSA-N 382.460 2.939 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)cc1 12366328 BBHHPFQEFMGBND-QIDMFYOTSA-N 383.467 2.818 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC)ccc1OC 13581399 NNBIPPVFSTVRSO-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715382 ZPEJDHUNAWCBOY-SFHVURJKSA-N 394.468 2.695 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCc1ccccc1 14197479 HZBVETPNEKWHQP-KRWDZBQOSA-N 380.897 2.959 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1c(F)cccc1F 16291330 IGYHPGYEZHZPCV-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1cnn(C)c1)Cc1ccccc1O2 19016351 JMLYGQKPXQUWLQ-UHFFFAOYSA-N 396.491 2.615 0 40 GFAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 19448287 ZQAUUWPCEWCFQF-QGZVFWFLSA-N 386.521 2.504 0 40 GFAB Cc1nn(CC(C)C)cc1S(=O)(=O)NCCc1nc2cc(Cl)ccc2[nH]1 19584276 MTFPANNMPLOWTA-UHFFFAOYSA-N 395.916 2.898 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)cc1 6880448 OPTZLSCMTZLEJN-UHFFFAOYSA-N 392.477 2.709 0 40 GFAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccnc(O[C@@H]2CCSC2)c1 225724169 OOUQSEVCNIHDSH-QGZVFWFLSA-N 384.505 2.891 0 40 GFAB Cc1ccncc1Nc1ccc2c(c1)CN1CCC[C@H]1C(=O)NCCOCCO2 643572391 BBTYSXDZLJFFBY-FQEVSTJZSA-N 396.491 2.623 0 40 GFAB O=C1NC[C@@]2(CCCN(C(=O)CCc3ccccc3F)C2)Oc2ccccc21 12086763 BVTHMDJUOYCMPF-JOCHJYFZSA-N 382.435 2.942 0 40 GFAB Cc1cc(C(F)F)n2ncc(C(=O)N3C[C@H]4CCc5cnc(C)nc5[C@H]4C3)c2n1 12120156 QEXQNIHFZNZHEQ-HIFRSBDPSA-N 398.417 2.876 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12735915 MNMHMCOWLPOHFF-MRXNPFEDSA-N 391.475 2.622 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(COCC(F)(F)F)cc1 11254548 PKHCSTASNLJSQY-UHFFFAOYSA-N 398.356 2.951 0 40 GFAB Cc1ccc(OC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nn1 1888866868 LTJGVJIBXSLPMU-GOSISDBHSA-N 381.476 2.761 0 40 GFAB FC(F)(F)c1ccc(N2C[C@@H]3CN(Cc4n[nH]c5c4CCC5)C[C@@H]3C2)nc1 1888867093 NVMGJNBKCONCNH-BETUJISGSA-N 377.414 2.880 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14909798 LZRKMNZLWSBWEH-WMZOPIPTSA-N 394.471 2.948 0 40 GFAB COC1(CC(=O)N2CCC[C@]3(COCCN(c4nccs4)C3)C2)CCC1 1565548060 WXNFEAOTLUHAKX-SFHVURJKSA-N 379.526 2.548 0 40 GFAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3ccccc3F)cnc21 4479020 MBVDEDLJKUOJSO-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB COc1cccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 4560582 DITDSSPDVBJNDR-IRXDYDNUSA-N 392.864 2.961 0 40 GFAB O=C(/C=C/c1cccs1)N1CCn2c(COCc3cccnc3)nnc2C1 2055718064 BLWIVAJHIJPGBX-AATRIKPKSA-N 381.461 2.507 0 40 GFAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)Nc1ccc2c(c1)OCO2 22679276 LTJLDTGWTARGEZ-HNNXBMFYSA-N 375.450 2.672 0 40 GFAB Cc1cc(C)n(-c2cc(OCC3CCN(C(=O)c4ccccn4)CC3)ncn2)n1 1775973992 ACKRVUJUTYLFFS-UHFFFAOYSA-N 392.463 2.605 0 40 GFAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cccc(SC)c4)C(=O)[C@@H]32)c1 101277757 XLAXDXANAMJCNV-IAGOWNOFSA-N 398.444 2.924 0 40 GFAB Cc1nccc(O[C@@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)n1 575610883 ZKNMLBUVXUAMGQ-LJQANCHMSA-N 377.448 2.713 0 40 GFAB CC(C)CCN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 8718093 MMENYLGLIGDETI-OAHLLOKOSA-N 378.270 2.945 0 40 GFAB COc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)c(OC)c1 13513075 MPNKHTVVYBIDFR-SXGWCWSVSA-N 383.404 2.522 0 40 GFAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)nc1 40086541 WUCQJXKDZXCUAN-OAQYLSRUSA-N 378.432 2.718 0 40 GFAB CC[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 30223696 KEGPXZVNBKPRJT-INIZCTEOSA-N 387.505 2.635 0 40 GFAB CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@@]23C=C[C@H]1O3 100833611 XKSAJNGWGQWNCX-ADAWSYLGSA-N 392.249 2.689 0 40 GFAB C[C@@H]1CCCc2sc3nc(NCCCN4CCOCC4)n4ncnc4c3c21 20479346 XOZZDAYOVXWEEP-CYBMUJFWSA-N 386.525 2.913 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 32907613 GQUYEKUXQWSZFL-UHFFFAOYSA-N 390.958 2.753 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 32909896 PVBJVXWXEAJAJX-KRWDZBQOSA-N 395.525 2.814 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CCCn1c(=O)oc3ccccc31)OCO2 32994740 HDAUJYHWEQJUNH-UHFFFAOYSA-N 382.372 2.945 0 40 GFAB CC(C)Cn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nc(O)cc1=O 32957983 VPZRDJFKHIFEKC-UHFFFAOYSA-N 399.419 2.937 0 40 GFAB COC(=O)c1cc(NC(=O)CN[C@@H]2CCCc3ccccc32)cc(C(=O)OC)c1 3289403 IRMQPJSPNBPEGX-LJQANCHMSA-N 396.443 2.866 0 40 GFAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 3430502 DSWDZMCNYWBTNF-QFIPXVFZSA-N 377.444 2.613 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1C 4778360 RXNAGCMPLYYDQN-LLVKDONJSA-N 384.404 2.587 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@@H]2[C@H]3O[C@H]3[C@H]1C2(c1ccccc1)c1ccccc1 5031597 OOORWVVNBZMNAB-FGYAAKKASA-N 376.408 2.642 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 5351522 RKJZNKOUCZLKJL-KBMXLJTQSA-N 384.542 2.703 0 40 GFAB CCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 5634710 ISPAWYHNPRFLBN-UHFFFAOYSA-N 385.555 2.653 0 40 GFAB Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 5927837 BHSVNQZGRLEXJO-LLVKDONJSA-N 390.490 2.638 0 40 GFAB Cc1c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6075898 BYZHIYDJQGXYJS-LLVKDONJSA-N 383.400 2.858 0 40 GFAB biogenic COc1ccc(NC(=O)CN2C(=O)C(c3ccc(OC)cc3)=NC2(C)C)cc1 6808742 FAOMUVXCNHCKRW-UHFFFAOYSA-N 381.432 2.710 0 40 GFAB CN(C)S(=O)(=O)c1cc(C(=O)NCCCc2ccccc2)ccc1Cl 8312708 SJKAEUXHSFPQEY-UHFFFAOYSA-N 380.897 2.953 0 40 GFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1Cl 10833725 FPTHEJBSXCVMPS-ZDUSSCGKSA-N 382.869 2.561 0 40 GFAB CCN(CC)C(=O)COC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 11062103 ZJFPGAOMIPYSNW-UHFFFAOYSA-N 391.493 2.518 0 40 GFAB Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2 11913927 SFWKTYGTBMLMJH-JTQLQIEISA-N 392.506 2.558 0 40 GFAB COc1cccc(Cn2c3cc(C)sc3c3cnn(CCC(N)=O)c(=O)c32)c1 12113570 GLOVLIKLBAHKFM-UHFFFAOYSA-N 396.472 2.653 0 40 GFAB NS(=O)(=O)c1ccc(NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)cc1 12143900 FFJKWFCLCISJRN-UHFFFAOYSA-N 389.864 2.955 0 40 GFAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)Nc1ccc(F)cc1 12184415 AITXCOVKXQHQTK-UHFFFAOYSA-N 377.379 2.699 0 40 GFAB CCC[C@H](C(=O)Nc1cc(C)on1)N(CC)CC(=O)NCc1cccs1 12599046 BIPMQLFGMNZDAO-OAHLLOKOSA-N 378.498 2.790 0 40 GFAB O=C(CN1CCN(C(=O)c2sccc2-c2ccccc2)CC1)N1CCCC1 12751982 DBUZCHXMQALIHL-UHFFFAOYSA-N 383.517 2.795 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 12865384 JZBXCIJXARNSTO-LBPRGKRZSA-N 393.399 2.671 0 40 GFAB NC(=O)[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 12900859 VSQJSWOELZWNNJ-HNNXBMFYSA-N 377.429 2.840 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12917728 PVBGECOTGYARRE-UHFFFAOYSA-N 392.864 2.888 0 40 GFAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)S(=O)(=O)c1cccs1 12985132 ORYIVRSGDJEXNB-UHFFFAOYSA-N 392.424 2.861 0 40 GFAB Cc1cc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccccc4)c3c2=O)no1 13971267 TZQJSLJWJYSHMB-UHFFFAOYSA-N 392.419 2.641 0 40 GFAB CN(c1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1)S(C)(=O)=O 14185503 UEPLGYHCIWOFNL-UHFFFAOYSA-N 388.474 2.853 0 40 GFAB C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCO2 14483992 APZHKWMIDLTAAC-ZDUSSCGKSA-N 380.400 2.555 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 15243260 MHGULHIMZOTLCI-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB COc1ccc(C)cc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842956 AHLOJZWVGYXQRI-ZDUSSCGKSA-N 388.445 2.568 0 40 GFAB COc1ccc(OC[C@@H](O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 16839744 CSWSKRMFVCALNN-KRWDZBQOSA-N 393.505 2.826 0 40 GFAB Cc1cccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3ccsc3n2)C(C)C)c1 18252423 MNKMIXZYHBJGMK-KRWDZBQOSA-N 399.472 2.562 0 40 GFAB Cc1ccc2cc(C(=O)N3CC[C@H](c4nn(CCN)c5ncccc45)C3)[nH]c2c1 19221761 CRZRLLBHOINBCZ-INIZCTEOSA-N 388.475 2.809 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(CCOc4cccc(C)c4)CC3)ncc2C1 19235188 RFQXTISZYRNPGS-UHFFFAOYSA-N 394.519 2.948 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 19569589 PGWMGULXPGHMOH-GOSISDBHSA-N 390.443 2.747 0 40 GFAB CCOC(=O)c1cc(OS(=O)(=O)c2ccc(F)cc2)cc(C(=O)OCC)c1 21130404 ZLFKYCRSZNTXMB-UHFFFAOYSA-N 396.392 2.947 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N(C(C)C)C(C)C)(C3)C2 21159860 MGBNRSRBHQQUPB-AGXSTUJCSA-N 378.513 2.650 0 40 GFAB O=C(CNc1ccc(Cl)c(Cl)c1)NN1C(=O)NC2(CCCCC2)C1=O 22017701 YBHNJCZLYQOHQI-UHFFFAOYSA-N 385.251 2.691 0 40 GFAB Cc1cc(Oc2ccc(CS(=O)(=O)c3ccccc3)nn2)nc(Cl)n1 26504787 ASLUAFIBLSYOLE-UHFFFAOYSA-N 376.825 2.995 0 40 GFAB Cc1ccc(CNC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1 28444096 LWAWOFVWKHEDKL-UHFFFAOYSA-N 383.444 2.947 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 28609438 CDPWSHQHOPLHMH-SFHVURJKSA-N 380.444 2.834 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 30848813 LYSWJXAOCQVBLY-KBPBESRZSA-N 394.468 2.866 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)c1C 31776984 DBZONKVGZODASF-UHFFFAOYSA-N 386.433 2.598 0 40 GFAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(C(=O)O)cc2)nn1 32102544 HGRZVHZLFFINCB-ZDUSSCGKSA-N 379.376 2.801 0 40 GFAB CC(C)NC(=O)Cn1c(=O)nc(-c2ccccc2)c2nc(N3CCCC3)sc21 32615302 BFWCOUGKAHYIHB-UHFFFAOYSA-N 397.504 2.645 0 40 GFAB CC(=O)c1ccccc1OCC[S@](=O)CC(=O)N1c2ccccc2C[C@@H]1C 32800942 KTUNSHUKGWUZIS-KUNJGFBQSA-N 385.485 2.995 0 40 GFAB CCn1ccc(-c2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c3c(C)noc3n2)n1 36617995 PBLIWKXZDRHYRF-NSHDSACASA-N 393.451 2.948 0 40 GFAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 36700099 QBXXOVNUMLQWBE-OAQYLSRUSA-N 382.460 2.999 0 40 GFAB Cc1nc(S)sc1CC(=O)N(C)Cc1ccccc1N1CCOCC1 40017238 XEJFSKABOMQEGA-UHFFFAOYSA-N 377.535 2.778 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](c1cccs1)N1CCOCC1 40047247 CTAGINVWUNCLBZ-NBUZRDOWSA-N 386.473 2.680 0 40 GFAB Cc1nc(C)c(CC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)c(=O)[nH]1 40112364 XMTYEPHQTUGZEQ-HNNXBMFYSA-N 382.508 2.620 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 40144017 BQRLFJCTEVKJDM-JTQLQIEISA-N 394.324 2.966 0 40 GFAB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 44841211 LJMQGERTHSQFFW-HNNXBMFYSA-N 375.494 2.729 0 40 GFAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(F)c1 46699545 KVZFGSPNOPATKV-DNVCBOLYSA-N 387.430 2.737 0 40 GFAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 47190177 YVLXYRLOAXWGLO-JKSUJKDBSA-N 398.525 2.779 0 40 GFAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccc(C(N)=O)cc2)C1 48311948 LDYNOQGAHYTUGE-KRWDZBQOSA-N 395.503 2.713 0 40 GFAB Cc1cc(C(=O)N[C@@H](C)CN2CCOCC2)c2ccc(Br)cc2n1 48342956 DQCGJHXALMXNNH-ZDUSSCGKSA-N 392.297 2.756 0 40 GFAB Cc1cccc(CN2CCC(NS(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 56071088 WIRGJEKONRTTCM-ROUUACIJSA-N 379.570 2.772 0 40 GFAB Cn1ncc(-c2nc(C3CC3)no2)c1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 58161625 DVCKZVRCZCFPTE-AWEZNQCLSA-N 385.811 2.943 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NC(C)(C)c2ccc3c(c2)OCO3)CC1=O 60241405 DLMFMXSKVKRSCF-CQSZACIVSA-N 396.443 2.828 0 40 GFAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ncccn5)CC4)[C@H]3C=C12 61999454 QMXFHCWSZYVELT-DKAJDXDZSA-N 396.535 2.913 0 40 GFAB biogenic COCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 72362287 UUKFGSYUDRTHOW-OAHLLOKOSA-N 384.436 2.580 0 40 GFAB COc1cc(NC(=O)[C@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)ncn1 77200585 KRRBDNQDCVVLPA-ZDUSSCGKSA-N 396.476 2.859 0 40 GFAB COc1ccc(C(C)=O)cc1C[S@](=O)CC(=O)NCCCc1ccccc1 89292054 FYAJDGLEVMHDKW-HHHXNRCGSA-N 387.501 2.896 0 40 GFAB Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)c3cc4ccccc4[nH]3)C2)n1 90592014 YRYCEDKCPDDZQT-HNNXBMFYSA-N 388.431 2.930 0 40 GFAB CCCNC(=O)CN(C)C(=O)CN(C)[C@@H](C)c1cccc(-c2ccncc2)c1 95459790 GLQDTSLERMUIJD-KRWDZBQOSA-N 382.508 2.726 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H]3CCS(=O)(=O)C3)cc12 95957185 AIECKTPPLHDIBJ-ZDUSSCGKSA-N 376.459 2.739 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C1 95995467 GFUFTZOZLZRNAJ-CABCVRRESA-N 386.496 2.669 0 40 GFAB FC(F)(F)c1cccc(C2(c3nc([C@H]4COCCN4)no3)CCOCC2)c1 96001463 ILPWLPJSPRETRD-CQSZACIVSA-N 383.370 2.846 0 40 GFAB COc1ccc(-c2noc(-c3cc(C)c(C)c(S(N)(=O)=O)c3)n2)cc1OC 96006880 PNWROZYHFHWINT-UHFFFAOYSA-N 389.433 2.685 0 40 GFAB CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccccn1)CC2 96260571 YGRRCZPODCEAKN-UHFFFAOYSA-N 379.508 2.601 0 40 GFAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]32)N=C1C 96261517 XKJCQHILIYXTLW-IMFGXOCKSA-N 375.900 2.828 0 40 GFAB CC[C@@H](CO)NC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96266866 ZKPOMBXMUINJHH-KRWDZBQOSA-N 389.459 2.747 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccncc3)C2=O)cc1 96551210 MKKZBIKTLWFQKJ-FOWTUZBSSA-N 383.429 2.557 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 100032943 QVWZEBGDOSYVPZ-MOPGFXCFSA-N 391.431 2.544 0 40 GFAB CC(C)[C@H](C(=O)Nc1cccc(N2CCOCC2)c1)N1C[C@@H](C)O[C@H](C)C1 106153921 GDITXNYTDJZPEC-MBOZVWFJSA-N 375.513 2.596 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)cc1 107673249 ACPBDGJHLDACKY-UHFFFAOYSA-N 379.434 2.746 0 40 GFAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 113936531 OOYZKESXLYDDBG-KRWDZBQOSA-N 389.521 2.794 0 40 GFAB COc1ccc([C@H](O)CNC(=O)c2cccc(Br)c2)cc1OC 170188560 LCSHXKMAWPADFG-CQSZACIVSA-N 380.238 2.930 0 40 GFAB O=C1N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170620731 ONSSMENOOLOIFH-ZQIUZPCESA-N 382.313 2.930 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3OC)c(Cl)cc21 223365861 JJJHYJKHCIVLCT-UHFFFAOYSA-N 396.852 2.755 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3F)n2)cc1 223650724 CTPVVISWFOZING-UHFFFAOYSA-N 377.397 2.504 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 225019602 GHTPGPVEOJBIHR-AWEZNQCLSA-N 376.478 2.890 0 40 GFAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225084067 YPVOPPDTDMVNIC-OAHLLOKOSA-N 386.473 2.640 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCC(C)(C)C 226053792 QPTWUPNWDXRZCM-UHFFFAOYSA-N 382.526 2.711 0 40 GFAB COc1ccc(CNC(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)cc1OC 245053462 OVQUERSEKWXGTD-WKILWMFISA-N 386.452 2.683 0 40 GFAB Cc1ncc(C(=O)N2CCO[C@H](c3cccc(-c4c(C)noc4C)n3)C2)cn1 257224871 FDTNTSRKODUASM-SFHVURJKSA-N 379.420 2.666 0 40 GFAB COc1cc(C)ccc1CN1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 257254327 KCPMPMKHOZZTAM-IBGZPJMESA-N 392.463 2.901 0 40 GFAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C(F)F 257336353 YOAYMOKHRFQXPY-NQUFMGSDSA-N 380.439 2.520 0 40 GFAB Cc1ccc(C)c(CN2C[C@H]3OC[C@@H](CNC(=O)C4CC(F)(F)C4)[C@H]3C2)c1 306138551 SAMJANJDEUKEMS-GUDVDZBRSA-N 378.463 2.912 0 40 GFAB COC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 408613203 VUVDHHUPFGYEHU-AWEZNQCLSA-N 396.896 2.686 0 40 GFAB COc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(OC)c1 408625965 JWAUBWFWOFFWNV-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1 409245437 SWXRWADNMHOJEN-UHFFFAOYSA-N 386.517 2.763 0 40 GFAB CC(C)(COCC(F)F)C(=O)Nc1ccc(-n2ncc3c(O)ncnc32)cc1 527294459 OAOZVULZLAEDLC-UHFFFAOYSA-N 391.378 2.768 0 40 GFAB Cc1cc(C)n(-c2ccc(CC(=O)N[C@@]3(CO)COc4ccccc4C3)cc2)n1 529823991 WMAWAPLZGNSFAG-QHCPKHFHSA-N 391.471 2.514 0 40 GFAB COc1cccc(-c2cc(C(=O)N3CC[C@@H](Oc4ncc(Cl)cn4)C3)n[nH]2)c1 575612208 JHQUGRJINQEYFZ-OAHLLOKOSA-N 399.838 2.822 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)[C@@H]1Cc2ccccc2CO1 575616356 KDSVXWZAJGAONI-NRFANRHFSA-N 392.503 2.582 0 40 GFAB Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 576168282 CUTVIOPSWOLCAS-INIZCTEOSA-N 393.427 2.972 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCNC[C@@H]1c1cccc(Cl)c1 585088562 SFJXQSOISSJMOI-OAHLLOKOSA-N 399.800 2.694 0 40 GFAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]12)C1CC(O)C1 585109775 SILPZSIJFIPYBB-PCBHJHNVSA-N 380.463 2.983 0 40 GFAB Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)O)NC2)nn1-c1ccc(Cl)c(Cl)c1 657216070 VQMOCPULUSTOHO-HZMBPMFUSA-N 397.262 2.879 0 40 GFAB CC1(C)[C@@H](CNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1(F)F 666156965 MXLRHXRQCCHMMT-CQSZACIVSA-N 398.435 2.689 0 40 GFAB O=C1COC2(CCN(Cc3ccc4c(c3)OCCO4)CC2)CN1c1ccccc1 1141036833 BIAPKKRBJFLOLD-UHFFFAOYSA-N 394.471 2.856 0 40 GFAB Cn1cc(C(=O)NCC2CCN(c3cc(Cl)c4cccnc4n3)CC2)cn1 1515426358 KKKYOOONAXWZOS-UHFFFAOYSA-N 384.871 2.663 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615118763 DDZNYPRRKLQXMM-QFIPXVFZSA-N 395.459 2.980 0 40 GFAB O=C(NCC1(N2CCOCC2)CCSCC1)C1(c2ccc(F)cc2)CC1 1776009153 WOGDQQLHRKOCKY-UHFFFAOYSA-N 378.513 2.572 0 40 GFAB C[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCc5ccccc54)c(=O)c23)C1 1331997 KZDCYWLBXOSNGK-GFCCVEGCSA-N 380.473 2.567 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 2652518 DJPKLPBXZBIKHS-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(OC)cc(OC)c1 3244969 CLJOVSYOWSWAAO-UHFFFAOYSA-N 389.404 2.865 0 40 GFAB Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3554150 NFRGVRASQPQSTB-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3cccc(Cl)c3)[C@@H]2C1=O 4281886 FCJFHNOJWPKEHE-AEFFLSMTSA-N 397.818 2.672 0 40 GFAB COc1ccc(N(C(=O)c2ccccc2C)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 5080709 XNOWYSOEGZQUSR-HNNXBMFYSA-N 387.457 2.970 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc1 5257298 AYKWPWQDVINTSQ-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccn1 5338465 HQSLGOKONZAITQ-UHFFFAOYSA-N 399.447 2.732 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)NCc2cccc(OC)c2)cc1OCC 5739446 VRVYHNGZRYIVHO-UHFFFAOYSA-N 387.432 2.966 0 40 GFAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 6345785 NTMPLEBWHNDIJY-HNNXBMFYSA-N 395.459 2.825 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1C 6566333 ZLTSJQICVVBOIA-INIZCTEOSA-N 381.432 2.570 0 40 GFAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(C)cc1 6590061 PBWJCXOGGKYECX-JOCHJYFZSA-N 393.443 2.559 0 40 GFAB COc1ccc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)cc1 6844327 FFOHIUNXNYDQJR-INIZCTEOSA-N 384.310 2.950 0 40 GFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O 6879588 QOOKACUPFFRNMG-DHDCSXOGSA-N 378.450 2.575 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccncc1 6962596 FXISUYWISSBPFL-WOJGMQOQSA-N 387.399 2.551 0 40 GFAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 7325573 PVDBORAZVMCPSF-UHFFFAOYSA-N 399.472 2.506 0 40 GFAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc2ccccc2c1 7500508 OUKWGLKSWGFVCK-UHFFFAOYSA-N 394.475 2.558 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(C3CC3)n2C2CC2)c1C 7904549 UNUDIZPANPCDJG-UHFFFAOYSA-N 399.520 2.954 0 40 GFAB CCNC(=O)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8094858 PYMWWEJTNIICDS-UHFFFAOYSA-N 396.878 2.988 0 40 GFAB Cc1cc(C(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)nn1C 9001901 QOIJLJLAOYKXCZ-UHFFFAOYSA-N 375.885 2.954 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10361265 SBDCFKRCQBUSDY-INIZCTEOSA-N 390.505 2.783 0 40 GFAB Cc1ccc2nc(NC(=O)c3ccccc3CN3C(=O)CNC3=O)sc2c1 11684167 DITJAMIQQVAIPG-UHFFFAOYSA-N 380.429 2.909 0 40 GFAB O=C(CSc1cccc[n+]1[O-])NC1(c2ccc3c(c2)OCCO3)CCCC1 12453253 KPWHNRXKWMOHEH-UHFFFAOYSA-N 386.473 2.769 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)c(OC)c1 12913568 GPSYMERQMDECMF-GOSISDBHSA-N 379.420 2.657 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)cc1 12974534 QMRZVGGZJCYDCV-IBGZPJMESA-N 395.503 2.854 0 40 GFAB COCCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 13655531 DNXTTYHYNSHNBE-UHFFFAOYSA-N 383.400 2.697 0 40 GFAB biogenic CC[C@@H](C(=O)NCc1cccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714451 NNZQSOQOOZJKGZ-INIZCTEOSA-N 381.885 2.596 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)ccc12 14054050 GTJAXOCDUCNDKC-UHFFFAOYSA-N 398.440 2.894 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1ccco1 14251760 RRHZHGZERRHKQQ-CYBMUJFWSA-N 375.384 2.763 0 40 GFAB CCn1c(-c2ccco2)nn(CN(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1=S 14263233 HJONOKFNLOBZIS-CQSZACIVSA-N 398.554 2.797 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1 15359019 BYRWVLZNLPXCJL-VIFPVBQESA-N 379.912 2.845 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CN1CCN(c2ccc(F)cc2)CC1 15512693 MGMMDVVLXAKIGP-UHFFFAOYSA-N 383.467 2.936 0 40 GFAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1OC 15638318 MROCBNBNCAXUGT-MRXNPFEDSA-N 398.459 2.794 0 40 GFAB Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C)CC4)C2)cc1 19135920 SCTPXFWAHVPNQQ-WMZOPIPTSA-N 394.519 2.576 0 40 GFAB Cc1nccn1CCC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 19288058 AVLWEOOUUBKIGO-GCJKJVERSA-N 396.491 2.603 0 40 GFAB O=C(C1CCC1)N1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19404071 DZFGZHVHKCDNFW-INIZCTEOSA-N 380.496 2.973 0 40 GFAB CN(C)C(=O)CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1 19703622 FOVXLFCKGAAPGR-GOSISDBHSA-N 376.888 2.910 0 40 GFAB Cc1ccc([C@]2(O)CCN(C(=O)c3cnc(N4CCCCC4)nc3C)C2)cc1 19714783 WRYCQZIUFGQQBO-QFIPXVFZSA-N 380.492 2.817 0 40 GFAB COc1nn(Cc2cc(=O)[nH]c(NCC3CCCCC3)n2)c(=O)c2ccccc12 19717518 HIOKCWCIKJWWII-UHFFFAOYSA-N 395.463 2.529 0 40 GFAB COc1c2c(cc3c1[C@@H](CNC(=S)Nc1ccccc1)N(C)CC3)OCO2 20611321 PBGQHUICHKESED-OAHLLOKOSA-N 385.489 2.940 0 40 GFAB biogenic Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)ccc1N1CCCC1=O 21597769 PQEYBCZXHUBZBL-KRWDZBQOSA-N 381.432 2.958 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(F)cc(F)c2)cc1 22227333 PLWYXSXVOLXRLG-UHFFFAOYSA-N 396.459 2.968 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 22273091 CSFKGCPSRMQYGR-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB CN1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)[C@@H](c2ccccc2)C1 22840537 MTHFXJYNZSPXDZ-GOSISDBHSA-N 399.878 2.581 0 40 GFAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCN3CCOCC3)cccc2c1=O 23108056 KFELYXKVWAYNMX-UHFFFAOYSA-N 392.455 2.830 0 40 GFAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 24987033 DQOKEIQGPHYHEL-MRXNPFEDSA-N 388.537 2.990 0 40 GFAB COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1 31666906 NBVXTFYXVRQVQB-MRXNPFEDSA-N 376.884 2.911 0 40 GFAB O=C(Cn1nc(-c2cccs2)oc1=O)NCCSCc1cccs1 32829126 XOZCFMHMWOIFPN-UHFFFAOYSA-N 381.504 2.676 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1cccs1 32900553 MIHMDWOHFPOKBL-CQSZACIVSA-N 388.424 2.811 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 36689232 JKSOCWDIYKJXPR-KXBFYZLASA-N 379.460 2.589 0 40 GFAB COc1cc(OC)cc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c1 36699912 VYCPYRDIVCAOJB-OAQYLSRUSA-N 384.476 2.897 0 40 GFAB CCc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)s1 56997683 TXURVMWYAWDVCV-UHFFFAOYSA-N 397.541 2.550 0 40 GFAB Cc1ccc(C)c(OC[C@@H](O)Cn2nc(N3CCOCC3)sc2=S)c1 58081088 XHVRQXZPECMPRZ-AWEZNQCLSA-N 381.523 2.567 0 40 GFAB CCCCOc1ncccc1CNC(=O)c1cc(S(C)(=O)=O)ccc1C 58174661 PVSIMNHRUGDQTN-UHFFFAOYSA-N 376.478 2.902 0 40 GFAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 58225082 JHIJYHLHBMHVDS-GOSISDBHSA-N 378.432 2.980 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)NCc1sccc1Br 58766425 LSZMSCVVUIEHFM-UHFFFAOYSA-N 378.251 2.537 0 40 GFAB COc1ccc(-n2c(O)nc3nc(NCc4ccccc4F)ncc3c2=O)cc1 67263521 JPCJJPIDCBEUMH-UHFFFAOYSA-N 393.378 2.641 0 40 GFAB Cc1cc(C)n2ncc(C(=O)N3CCC(c4n[nH]c(=S)n4C4CC4)CC3)c2n1 68424554 ZNPCWRWRUPQBOP-UHFFFAOYSA-N 397.508 2.955 0 40 GFAB O=C(NCCc1nc2ccccc2n1C(F)F)c1nc2ccccc2c(=O)[nH]1 72314093 KKWYCQPKIQZVTN-UHFFFAOYSA-N 383.358 2.640 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347954 NKLXJKPKDPHRDV-ZDUSSCGKSA-N 392.385 2.969 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349711 SYMAWRKMJODALT-LJQANCHMSA-N 397.494 2.850 0 40 GFAB CCc1nccn1-c1nccnc1C1CCN(C(=O)Cc2cccnc2)CC1 72350634 UMSNGWJAWYRADZ-UHFFFAOYSA-N 376.464 2.568 0 40 GFAB CC(C)NC(=O)CN1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 72396586 PGUDJTXJKHERHF-UHFFFAOYSA-N 395.463 2.643 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C[C@@H]1OCCc2ccsc21 89346576 ADBXTJHCFBKPNH-LBPRGKRZSA-N 375.475 2.709 0 40 GFAB C[C@H]1CCc2c(sc3ncnc(N4CCN(CCC(=O)NC5CC5)CC4)c23)C1 89930131 NZJKVKRKPWKCLH-AWEZNQCLSA-N 399.564 2.607 0 40 GFAB CNC(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 95430810 QYLCHPBNFPHVAL-UHFFFAOYSA-N 380.294 2.543 0 40 GFAB Cc1ccc(F)cc1S(=O)(=O)NC1CCN(CC2(O)CCCCC2)CC1 95454423 QOIJGZKWTOMSAE-UHFFFAOYSA-N 384.517 2.572 0 40 GFAB CC1(C)[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC[C@@]1(C)C(=O)O 96118986 HFUAESWMTIGHCA-UWJYYQICSA-N 376.472 2.997 0 40 GFAB O=C(Nc1ccc(F)cc1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96260917 UTGDHLJUZFPESR-QGZVFWFLSA-N 375.444 2.994 0 40 GFAB COC(=O)/C=C1\N=C(Nc2nc(C)cc(C)n2)N(c2ccc(C)c(C)c2)C1=O 100750684 OWMRWDGXQKFWPW-YBEGLDIGSA-N 379.420 2.582 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1 101851934 JRODWOVQITUEJD-KBPBESRZSA-N 387.432 2.659 0 40 GFAB COC(=O)c1ccc(C)c(N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1 102402911 UZLJTJBDAKJQDZ-MRXNPFEDSA-N 398.415 2.543 0 40 GFAB O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCC2 102623459 FICJFSKNWWWKGM-OWLDWWDNSA-N 386.473 2.590 0 40 GFAB CN(C)C(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 149792279 RSMCAOKIIZQPSD-IBGZPJMESA-N 396.443 2.847 0 40 GFAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149722 OJXYCXAAXXSPCN-VQTJNVASSA-N 399.564 2.769 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c(C)c1 223243080 UNBGCJPRJNMENM-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223604407 FVZCZYOHDGJNDY-MOPGFXCFSA-N 379.489 2.622 0 40 GFAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c(C)c1 224142664 HBHQSAZDJHZXRE-LBPRGKRZSA-N 382.511 2.789 0 40 GFAB CCc1ccc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 224232556 YFONXEAOVFJCHY-UHFFFAOYSA-N 384.567 2.807 0 40 GFAB Cc1ccccc1-n1c(CC2CCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3C4)CC2)n[nH]c1=O 225549418 BWWGFWQQRURGSL-FHWLQOOXSA-N 392.503 2.862 0 40 GFAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225681237 LGDTUNAUQDZSPN-CYBMUJFWSA-N 392.502 2.654 0 40 GFAB COc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2cccc3cccnc23)CC1 238888565 QJGWSJOQUMZRER-UHFFFAOYSA-N 393.443 2.626 0 40 GFAB CC(C)N1CCOC[C@@]2(CC[C@H](CNCc3c(Cl)cnc4[nH]ccc34)O2)C1 248168178 PWBFMKYYXXPIRE-FOIQADDNSA-N 392.931 2.964 0 40 GFAB CCn1cc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@H]3CCCN4C(C)=O)on2)cn1 257314095 UVHFEXHNXZGILO-QUCCMNQESA-N 385.468 2.564 0 40 GFAB O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2c(n1)CCCC2 533087449 LPYNFJWPOKLVID-LJQANCHMSA-N 377.488 2.924 0 40 GFAB COc1ccc(CCS(=O)(=O)N2CC[C@H](c3ccc4c(c3)CCO4)C2)cc1 585148968 NMEIVRHELQUXLB-IBGZPJMESA-N 387.501 2.992 0 40 GFAB COC(=O)C[C@H](c1ccsc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419786 XTUZYGRZCGLDDT-OAHLLOKOSA-N 387.461 2.585 0 40 GFAB CCC(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)C1 652466399 QCFQZOQBPZXHGJ-UHFFFAOYSA-N 393.369 2.891 0 40 GFAB COc1cc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c2ccccc2n1 666846306 JPAGIZNDEJNACG-UHFFFAOYSA-N 381.457 2.903 0 40 GFAB O=C1[C@@H]2CN(c3ncc(C(F)(F)F)cc3F)C[C@@H]2C(=O)N1c1ccccc1 1888870036 ASUDHMHOMBLABP-BETUJISGSA-N 379.313 2.865 0 40 GFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2nccn3nccc23)CC1 1888926471 VBCGQSSNVDEUGC-UHFFFAOYSA-N 392.438 2.803 0 40 GFAB COc1cc(N2CCN(c3ncc(Cl)cc3Br)CC2=O)ccn1 1888928834 BXYXPVMBEKUQDA-UHFFFAOYSA-N 397.660 2.754 0 40 GFAB COc1ccc(CN2CCC[C@@]3(CC(C(=O)NC4CC(F)(F)C4)=NO3)C2)cc1 2056225934 FRORRVMUEIOSFS-LJQANCHMSA-N 393.434 2.720 0 40 GFAB CCS(=O)(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C)CC1 2056226657 WXRMIYIIIWNGGL-OAHLLOKOSA-N 385.555 2.508 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1C 1289449 CKSZDBFXYVPBSK-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NCCCN1CCCC1=O 2782204 NZKATAHTSDCWRS-SNVBAGLBSA-N 380.798 2.553 0 40 GFAB Fc1cnc(NN=Cc2cccc(Br)c2)nc1N1CCOCC1 4871487 SUVRZTWWGDWPKJ-UHFFFAOYSA-N 380.221 2.661 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 4909487 WNLKBBDUDXBGOM-IRXDYDNUSA-N 387.524 2.679 0 40 GFAB COc1ccc([C@@H](CNCc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 22789472 QQNJOTIYXHBNHG-HXUWFJFHSA-N 384.476 2.630 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8647174 JQCRCIVIFKWHMM-LJQANCHMSA-N 386.791 2.719 0 40 GFAB CCCCN1C(=O)C[C@@H](C(=O)/N=c2\sccn2C)[C@H]1c1ccc(OC)cc1 105662148 PUNBTRWTKOQMSJ-MGVNEBLISA-N 387.505 2.912 0 40 GFAB C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)Nc1ccccc1F 24993085 CQTUALWNJBVWSZ-CYBMUJFWSA-N 377.441 2.805 0 40 GFAB CC(C)(C)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849440 KDDUUFCXFAZKIS-UHFFFAOYSA-N 399.886 2.559 0 40 GFAB CSc1ccc(CN(C)C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 17972359 UGJHTRVWBWYTLI-UHFFFAOYSA-N 383.473 2.733 0 40 GFAB CC(C)(CN1CCOCC1)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100765378 FXIIEILIRAJEMW-WOJBJXKFSA-N 376.516 2.999 0 40 GFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)c(F)c1 57008187 WKMCGWZUDASLJR-XBXARRHUSA-N 383.372 2.896 0 40 GFAB Cc1[nH]c(C(=O)N2CCN(c3ccccc3O)CC2)c(C)c1C(=O)OC(C)C 26527123 RRQPAVKBWUWNKV-UHFFFAOYSA-N 385.464 2.865 0 40 GFAB Cc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccco4)c3=O)n2)cc1 35562097 NHQPOIWIRDMHQD-UHFFFAOYSA-N 390.399 2.783 0 40 GFAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CC(=O)N(C)C)c(C)c1 12517410 ORPIZZDJXFCXKV-LJQANCHMSA-N 394.475 2.548 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCCC2)C1=O 58169435 FMWACGLBYWIRCC-UHFFFAOYSA-N 392.887 2.813 0 40 GFAB Cc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)c2c3c(c(=O)oc2c1)CCC3 2137122 FEPFNEAPQRSIDK-HNNXBMFYSA-N 387.432 2.584 0 40 GFAB biogenic CN1CCN(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 20460402 YJMYPTYWBSGWTN-UHFFFAOYSA-N 392.547 2.617 0 40 GFAB COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 113885503 VFRBSXDXAQEKLN-UHFFFAOYSA-N 375.780 2.987 0 40 GFAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3sccc23)CC1 36386049 YQKNSKSOJVZJCZ-OAHLLOKOSA-N 387.896 2.693 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl 36397507 CMYOHKAQQPLSLR-UHFFFAOYSA-N 389.843 2.950 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 2396760 YOHNUFDHROBXCM-UHFFFAOYSA-N 387.440 2.846 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(F)cc1 3353566 XVLQLFLBDUPWID-UHFFFAOYSA-N 393.436 2.512 0 40 GFAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 12745209 NHHXHGHZYYTFOL-QGZVFWFLSA-N 388.489 2.959 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 12747182 CKUNITRRNVCIFC-UHFFFAOYSA-N 389.477 2.537 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCn1c(=O)oc2ccccc21 12863684 JJARZCLMFCIHKJ-UHFFFAOYSA-N 387.823 2.735 0 40 GFAB COc1ccccc1OCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 3404119 MVWYUVGYOQDHIB-IBGZPJMESA-N 388.439 2.784 0 40 GFAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(OC[C@@H]2CCCO2)cc1 3508988 XNCXGUWICDPUHY-KRWDZBQOSA-N 395.411 2.697 0 40 GFAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 8762566 YWWNPBBVXCVHBH-UHFFFAOYSA-N 383.835 2.611 0 40 GFAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nn2cnnc2s1 6085018 LWICKDJDCRKKPA-HNNXBMFYSA-N 392.444 2.686 0 40 GFAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(C(=O)OC2CCCCC2)cc1 4392717 LKMZNAQDQCANFC-CQSZACIVSA-N 379.478 2.939 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c1 24611763 XXGBMZJSZOSZBI-UHFFFAOYSA-N 378.538 2.986 0 40 GFAB Cc1ccccc1S(=O)(=O)N[C@@H]1OC(=O)C(Oc2ccccc2)=C1Cl 13945396 DNHWMMRJGHPAQS-MRXNPFEDSA-N 379.821 2.686 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 4477148 SNHJBACTPZXMBJ-FQEVSTJZSA-N 385.851 2.814 0 40 GFAB CN(NS(=O)(=O)c1ccccc1)c1nc2ccccc2nc1C(F)(F)F 5342993 ODGXKGUZVOOMTL-UHFFFAOYSA-N 382.367 2.978 0 40 GFAB O=C(NCc1ccccn1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5381139 BLQSPIMESVADKJ-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB COC(=O)c1ccc(COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 5435253 UHZXWZXHNZHUEZ-UHFFFAOYSA-N 394.427 2.933 0 40 GFAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1O 4739359 FMWNFGIXQJFWBP-GOSISDBHSA-N 377.404 2.920 0 40 GFAB COc1ccc(Cc2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)n2N)cc1 6847340 UXTUSRGGYPDCFE-SFHVURJKSA-N 397.504 2.513 0 40 GFAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2N)c(C)c1 6999431 GKKJVUXMATYKIB-UHFFFAOYSA-N 392.463 2.985 0 40 GFAB Cc1ccc2nc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 6908866 YDJAWYQEBRWZHA-AWEZNQCLSA-N 395.550 2.635 0 40 GFAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(C)ccc3C)c2N)c(C)c1 6999425 FLADFJMIHKWIOI-UHFFFAOYSA-N 392.463 2.985 0 40 GFAB CCN(CC)CCCC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 96007911 IBYXXRSSSYGOKM-SFTDATJTSA-N 379.589 2.990 0 40 GFAB COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7420413 STMCKAVXPMXZQF-UHFFFAOYSA-N 394.836 2.812 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnnn1C1CCCC1 9387188 DLZNCNOXHFNCLZ-UHFFFAOYSA-N 397.508 2.725 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)CCC2=O)c1 9397584 UQRFCYQQHWSVGN-QGZVFWFLSA-N 399.491 2.976 0 40 GFAB CCc1ccc([C@H](CNC(=O)c2sc3ncn(C)c(=O)c3c2C)N(C)C)cc1 27597356 KTQGENLLOYPLAU-INIZCTEOSA-N 398.532 2.899 0 40 GFAB O=C(NCc1ccccc1)c1ccccc1OCn1nnc2ccccc2c1=O 8252951 UHAKMZFZBBUYBC-UHFFFAOYSA-N 386.411 2.758 0 40 GFAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 19897824 YHBABQVSPYUZIJ-JOCHJYFZSA-N 398.503 2.826 0 40 GFAB CCSc1nnc(SCC(=O)N[C@H](Cc2ccccc2)C(=O)OC)s1 8506060 QLNYCOYBCFJDHG-GFCCVEGCSA-N 397.547 2.643 0 40 GFAB C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(-n2ccnc2)cc1 9836808 GRFFWJXPAADPMM-CQSZACIVSA-N 395.488 2.876 0 40 GFAB CN(C)C(=O)NCCN(C)c1nc(-c2cccnc2)nc2sc3c(c12)CCC3 95456946 AYHBXTNZHCUOKX-UHFFFAOYSA-N 396.520 2.949 0 40 GFAB CNC(=O)c1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 95451754 OHKOAUSNPUQTCC-WOJBJXKFSA-N 387.911 2.861 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)NCCNc3ccccn3)s2)cs1 89712609 KZMUOURZOCINHG-UHFFFAOYSA-N 380.520 2.965 0 40 GFAB CC(C)Cn1nnc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)n1 408620898 KNLKTGQHCUZGEI-UHFFFAOYSA-N 388.884 3.263 0 40 GFAB CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1 28207429 KLFRGGWBGOKKGZ-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCCC2)c1 30536187 WALHEAQPBGBNJU-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB CCOCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 502052854 PKCUBZUZCTVPIA-UHFFFAOYSA-N 396.553 2.635 0 40 GFAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408707820 FMIXQCXLYRINPB-UHFFFAOYSA-N 395.459 2.621 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCn1cnc3ccccc3c1=O)CC2 524735362 XQGUJJNIAARFMV-SFHVURJKSA-N 393.443 2.608 0 40 GFAB CSc1ccc(-c2ccc(=O)n(CN3CCN(c4ccccn4)CC3)n2)cc1 72403975 XJDJMUKLADLHPD-UHFFFAOYSA-N 393.516 2.807 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219661447 HJOXORZOGUILFW-UHFFFAOYSA-N 378.837 2.822 0 40 GFAB O=C1NCCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc21 70638293 KPLIYKFJPCYIDK-CYBMUJFWSA-N 383.835 2.618 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CCn2cccn2)CC1 62021986 JVCAGBVACLUABA-UHFFFAOYSA-N 376.888 2.538 0 40 GFAB O=C(NCCSCc1cccs1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32768797 JZXUCXRKELSZMM-UHFFFAOYSA-N 399.563 2.524 0 40 GFAB Cn1c(SCc2ccc(F)cc2Br)nnc1N1CCOCC1 32922649 RRVLHFPBTAFBHG-UHFFFAOYSA-N 387.278 2.846 0 40 GFAB Cc1ccc(C(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)cc1 32616605 HTYZHKNXILVZNK-UHFFFAOYSA-N 391.452 2.811 0 40 GFAB O=C1NC2(CCN(C(=O)c3cc(-c4ccco4)on3)CC2)Nc2ccccc21 72347620 UCBPJPKFFYAQAS-UHFFFAOYSA-N 378.388 2.722 0 40 GFAB COc1ccc(C)cc1C1(CNC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)CCOCC1 566051706 VLXVABVOLATRKM-RAUXBKROSA-N 398.503 2.647 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)cc1 72339810 GRLLADXIVIYLMG-UHFFFAOYSA-N 375.432 2.761 0 40 GFAB COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3F)n2)c1 223651399 VBXARGKYNHJVMD-UHFFFAOYSA-N 391.424 2.846 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc1 40286395 OEYWWXHXTKMAQE-UHFFFAOYSA-N 382.449 2.813 0 40 GFAB O=C(O)Cn1cc(CCN2CCC[C@H]2c2ccc(Br)cc2)nn1 570522256 YLJGAWRRNLDNHQ-HNNXBMFYSA-N 379.258 2.505 0 40 GFAB O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 572094087 IXIYCAJWDBKMCP-DDHJSBNISA-N 380.429 3.368 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)ccc1Cl 223897527 NPACTUPGQPHRNB-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB CC(C)C(NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)C(C)C 225525545 GLZRHKPKCIMHGQ-UHFFFAOYSA-N 382.511 2.749 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC 222490179 WBEKTNMVICHUIY-CQSZACIVSA-N 390.867 2.891 0 40 GFAB C#CCN1CC[C@@H](CCC(=O)c2ccnc3ccc(OC)cc23)[C@@H](C(=O)OC)C1 95698926 FVVUTWFORVBLCE-UZLBHIALSA-N 394.471 2.951 0 40 GFAB CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 144343358 OFBWEKAXCICDEG-UHFFFAOYSA-N 390.530 2.945 0 40 GFAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4C)C[C@@H]32)N=C1C 96261508 SNXSKFAIBXZBIQ-LLGFUMIMSA-N 384.480 2.515 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257226289 FJZUBSJKWLZXOM-INIZCTEOSA-N 385.439 2.733 0 40 GFAB COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNC1([C@@H](C)O)CC1 597235036 RTJUXOKZINPUQL-SNVBAGLBSA-N 384.263 2.969 0 40 GFAB Cc1cccc([C@H]2C(=O)NCCN2C(=O)CCCc2ccc3c(c2)CC(=O)N3)c1 620356582 YRYPYIKBYGQFPB-QFIPXVFZSA-N 391.471 2.512 0 40 GFAB O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1ccc(-c2ccccc2F)o1 1615549891 SJJINXCDMMIALN-BXWFABGCSA-N 384.407 2.736 0 40 GFAB CC(=O)N1CC2(CCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)[C@H]2COC[C@H]21 1615591213 RPJXXKXLLOFGER-LSDHHAIUSA-N 391.537 2.540 0 40 GFAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[C@@H](C(=O)O)c3ccccc3)CC2)C1 634866354 VAJDXYUPVITSLQ-VQIMIIECSA-N 386.492 2.742 0 40 GFAB COc1cncc(N2CCN(C(=O)c3c(OC)cnc4ccccc34)CC2)c1 636273363 WJLPUGMLNPRRMM-UHFFFAOYSA-N 378.432 2.609 0 40 GFAB O=C(CN1CCN(Cc2nc3c(s2)CCCC3)CC1)Nc1ccccc1F 678992393 HNWMVWDUQKROPF-UHFFFAOYSA-N 388.512 2.917 0 40 GFAB Cc1nc(NCCNS(=O)(=O)c2cccc(Cl)c2)cc(-n2cccc2)n1 90607849 ZYYZXHDLWKUFOE-UHFFFAOYSA-N 391.884 2.620 0 40 GFAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O 24715345 CFYFCAFTRVSOEU-UHFFFAOYSA-N 392.864 2.879 0 40 GFAB O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1cccs1 96121514 HRZUMOSMIKPHGD-UHFFFAOYSA-N 388.518 2.864 0 40 GFAB O=C(c1cc(-c2ccco2)on1)N1CCC(n2nnc3ccsc3c2=O)CC1 390829846 GZRJKMOIXDCRQC-UHFFFAOYSA-N 397.416 2.578 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 575403706 MVWAAKPHYONQAB-FQEVSTJZSA-N 394.471 2.950 0 40 GFAB COc1ccc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)nc3C2)nc1 585113031 XNOILNAQZNKEOP-GASCZTMLSA-N 384.480 2.755 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CC[C@@H](C)[C@H](O)C2)C3)c1 585103669 IAJKDPGQRAJEKT-HLAWJBBLSA-N 386.536 2.709 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1F 29322226 PLAIHSLPNOKMCZ-KUHUBIRLSA-N 396.422 2.788 0 40 GFAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1O 72393191 JLCINGDWSQEVKK-MRXNPFEDSA-N 392.459 2.926 0 40 GFAB CO[C@@H](C)c1noc(CN(C)C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)n1 72311409 CZBIDQKXXWZJAY-YEZKRMTDSA-N 379.800 2.831 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Br)cc1 1751701 WVBYGORFCACMMK-MRXNPFEDSA-N 392.249 2.728 0 40 GFAB biogenic CC(C)n1cnc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 655641627 LREZBBPZLVEHMU-UHFFFAOYSA-N 385.493 2.976 0 40 GFAB Cc1ncc(CN2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)cn1 1615161207 MEFFHWGRQSFIHJ-LEWJYISDSA-N 385.508 2.504 0 40 GFAB CSCC[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)O 2200932 JQOCZYXSNHPMAR-OLCHLOJWSA-N 398.484 2.780 0 40 GFAB CN(C)C1CCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595927 SYTXKRVGVYTCSP-URVUXULASA-N 383.536 2.631 0 40 GFAB COCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 5015802 ZHPSGVBNZDFLCP-HOCLYGCPSA-N 389.521 2.830 0 40 GFAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCCN1CCCC1=O 12118263 YORWZXPTWVJHNL-UHFFFAOYSA-N 382.489 2.894 0 40 GFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCCN(C(C)=O)C1 12157264 PVULUUZFHBISCV-PXNSSMCTSA-N 376.428 2.901 0 40 GFAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)s1 16047753 UYMIOZVISRJBMU-UHFFFAOYSA-N 393.402 2.554 0 40 GFAB C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc2ccccc2c1 17962697 OCECUVIUZTZATO-CQSZACIVSA-N 381.457 2.515 0 40 GFAB COc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc1 19291336 WJGFBUXKBPZADL-JOCHJYFZSA-N 392.503 2.833 0 40 GFAB O=C(c1cccnc1)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19337373 VQQYTQMUPPHFAD-UHFFFAOYSA-N 380.473 2.988 0 40 GFAB CN(C)c1cc(CNC(=O)[C@@H]2OCCc3ccccc32)nc(-c2ccncc2)n1 19584626 YOGZJJPDDRCUMZ-HXUWFJFHSA-N 389.459 2.535 0 40 GFAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nc(CC(N)=O)cs3)c2)n1 19718354 LDUUWGGDMNNDKD-UHFFFAOYSA-N 389.868 2.879 0 40 GFAB C[C@H](CN(C)C(=O)c1cccn(CC(=O)NC2CCCC2)c1=O)c1ccccc1 19751422 KOHOOYKXXCKWJN-QGZVFWFLSA-N 395.503 2.783 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c(C)c1 19931278 RKKKOIIDUMVDAR-LJQANCHMSA-N 386.517 2.780 0 40 GFAB COCc1ncc2c(n1)CCN([C@H](C(=O)O)c1cccc(Br)c1)C2 634693598 GQUZREBTJNJOMM-INIZCTEOSA-N 392.253 2.570 0 40 GFAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)[C@@H]1COc2ccccc2O1 575605383 FAMHYMMTOUKULO-AWEZNQCLSA-N 379.363 2.819 0 40 GFAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N1CCCC1 905405 SXHLBYWWLUKFAR-ZDUSSCGKSA-N 378.523 2.900 0 40 GFAB CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 3353054 UQFNGZGWIWMLJI-GFCCVEGCSA-N 389.424 2.566 0 40 GFAB CCc1ccc2c(COC(=O)c3ccc(-n4cnnn4)cc3)cc(=O)oc2c1 7250357 YEHLBRFDBVFIOX-UHFFFAOYSA-N 376.372 2.688 0 40 GFAB CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 9155007 PUHABDVVRYUNLV-UHFFFAOYSA-N 389.477 2.515 0 40 GFAB Cc1ccc(C)c(CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1 1889128387 VETVFTUTANILJH-UHFFFAOYSA-N 381.524 2.561 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc(F)c(F)c2)cc1 4569347 BDVKQXIPLKSHKD-HNNXBMFYSA-N 394.443 2.856 0 40 GFAB O=c1c(=O)n2c(nn1Cc1cccc(C(F)(F)F)c1)N(c1ccccc1)CC2 8848745 RCDWQVPMHRQZBW-UHFFFAOYSA-N 388.349 2.624 0 40 GFAB Cc1nc2c(=O)n(CC(=O)NCc3ccco3)nc(-c3cccs3)c2s1 8956017 NVFQPNYXKDLLEM-UHFFFAOYSA-N 386.458 2.799 0 40 GFAB COc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(OC)n1 11765055 SUBULUGPNNMITE-UHFFFAOYSA-N 397.262 2.763 0 40 GFAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1cccc(Cl)c1 19853427 GHHVBYOWKBFBQP-UHFFFAOYSA-N 389.824 2.745 0 40 GFAB Brc1cnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)nc1 1775978563 UFWDAPBCKZNOPU-UHFFFAOYSA-N 387.241 2.616 0 40 GFAB COc1ccccc1NC(=O)/N=c1\c2ccccc2[nH]c(=O)n1C[C@H]1CCCO1 101113805 PBNOXFMQPTULHO-MRJUWWRZSA-N 394.431 2.650 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38730649 YYFFKOGTMGTPGE-JKSUJKDBSA-N 394.500 2.572 0 40 GFAB O=S(=O)(Cc1noc2ccccc12)N1CC[C@H](Oc2ccncc2Cl)C1 575611357 VRMCXJKXJWXOOG-LBPRGKRZSA-N 393.852 2.859 0 40 GFAB Cc1nn(CCNS(=O)(=O)c2ccc3c(c2)CCO3)c(C)c1-c1ccco1 575614708 BXOXQTXEKXMUME-UHFFFAOYSA-N 387.461 2.673 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575618767 WGCQYJRCQSCLDS-HNAYVOBHSA-N 391.464 2.981 0 40 GFAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 16916544 YIEKROSTBORMTF-UHFFFAOYSA-N 381.251 2.769 0 40 GFAB O=C(CNc1cccc(C(=O)NCC(F)(F)F)c1)NCc1ccc(F)cc1 40039165 ZIYMEZIYCLYVOG-UHFFFAOYSA-N 383.345 2.846 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc(C)c4C)C(=O)[C@H]23)c1OC 101270286 ZHGJMQWIANSPFN-APWZRJJASA-N 380.400 2.613 0 40 GFAB COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(F)F 32873841 GPGRAZFSBQWNJA-UHFFFAOYSA-N 386.395 2.990 0 40 GFAB CC1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccco2)CC1 11999477 FUXHDFFYAHIOAT-MRXNPFEDSA-N 392.477 2.760 0 40 GFAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cc(C)on3)n2)n1 2653457 FAEARSHVTLGUGP-UHFFFAOYSA-N 389.799 2.629 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c2c(c1)OCCCO2 22012878 BURNKWDWRVOBRZ-UHFFFAOYSA-N 394.880 2.711 0 40 GFAB O=C(NCc1ccccc1)[C@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 4858800 PKIJOMVFPQFHSP-SFHVURJKSA-N 393.472 2.595 0 40 GFAB COCCNC(=O)[C@H](OC(=O)c1cc2sc(C)cc2n1C)c1ccncc1 4924339 NVLFGEPLVLDAST-QGZVFWFLSA-N 387.461 2.604 0 40 GFAB Cc1cccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)c1 4966922 NXDDWFAPTWKDDQ-UHFFFAOYSA-N 387.457 2.977 0 40 GFAB Cc1cc2ncc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(C)n2n1 22690614 HRLMTUQIUWQNDU-INIZCTEOSA-N 377.448 2.837 0 40 GFAB CCCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 6629493 VXJYJOCOWKRRKK-PTNGSMBKSA-N 377.422 2.878 0 40 GFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 6879578 KIIINPCSRSGLKJ-GHXNOFRVSA-N 384.841 2.617 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 103969775 YEJSNMFEAPICLZ-ZIAGYGMSSA-N 385.489 2.820 0 40 GFAB COc1ccccc1CNC(=O)c1ccc2nc(NS(C)(=O)=O)sc2c1 12323086 CGIDKNGOIIHKBP-UHFFFAOYSA-N 391.474 2.606 0 40 GFAB COc1ccc(F)cc1CN1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 22802251 YXIFXCPJHLRRCJ-OAHLLOKOSA-N 396.466 2.950 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C(=O)NC(C)C 10009040 YYGDXQQHCHIHAN-UHFFFAOYSA-N 384.404 2.912 0 40 GFAB Cc1c(Br)c2ccccc2n1CC(=O)NCCc1cnn(C)c1 54009885 ONIXZIRBYFLQBI-UHFFFAOYSA-N 375.270 2.805 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 55526802 CVFGHAIDPHDBSP-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(OCC)cc2)CC1 24064453 PAPAPBOLZAQDKA-UHFFFAOYSA-N 376.453 2.785 0 40 GFAB C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 56533961 JORFSVHACLIUOQ-QGZVFWFLSA-N 387.505 2.854 0 40 GFAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCCNC(=O)c1ccccc1F 50116428 IUNYJQSXCKXDDJ-GFCCVEGCSA-N 377.391 2.764 0 40 GFAB O=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@@H]1[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc(F)cc1 106091099 YANFNRSMJXESCV-BJUHDVKYSA-N 391.398 2.975 0 40 GFAB biogenic,in-vitro Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(F)cc3)c(=O)n12 27022757 BDNVRUNTYLYCCJ-PDGQHHTCSA-N 378.428 2.702 0 40 GFAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc2ccc(OC(F)(F)F)cc2s1 57851415 UWAPMIWZJXFBCU-MRVPVSSYSA-N 394.396 2.958 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)c1 3343590 SAJGGIYXRUCFJP-JOCHJYFZSA-N 393.443 2.780 0 40 GFAB CCOC(=O)C1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 58161341 LLBPZUXVUDMHQY-UHFFFAOYSA-N 375.494 2.639 0 40 GFAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 28936889 TYYBHDKENXYYRY-UHFFFAOYSA-N 384.248 2.985 0 40 GFAB COc1ccc(CN2CCN(C(=O)NCc3ccccc3F)CC2)cc1OC 12821903 HELKHSAFIOTDMO-UHFFFAOYSA-N 387.455 2.870 0 40 GFAB COc1ccc(CC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(OC)c1OC 12873298 NFJRARHDUFLZML-HNNXBMFYSA-N 379.840 2.758 0 40 GFAB COc1cccc(N2C(=O)C(=O)N(CC(=O)c3c(C)[nH]c4ccccc34)C2=O)c1 12890251 JMSOSTJZNZVIBP-UHFFFAOYSA-N 391.383 2.663 0 40 GFAB C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)c(F)c1 12885958 GDMIXXKXPGWPJT-GFCCVEGCSA-N 380.416 2.996 0 40 GFAB O=C(OCC(=O)N1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12 3530097 LJKSSFYLLDWPDR-UHFFFAOYSA-N 376.412 2.917 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(Cl)c1 3594879 DYRCLMOFUCYLKN-FQEVSTJZSA-N 383.835 2.980 0 40 GFAB Cc1cc(N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)nc(C(C)C)n1 12978976 OSLGYVHMSFUISR-SFHVURJKSA-N 381.524 2.908 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 12984247 DVQABTXBKFRSBW-UHFFFAOYSA-N 381.363 2.521 0 40 GFAB CC1CCN(C(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38835733 SBLFJUNQKAQRQJ-INIZCTEOSA-N 386.901 2.516 0 40 GFAB CN(Cc1ccccc1)C[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O 71286268 OMZWWAKMAHITER-MRXNPFEDSA-N 384.432 2.619 0 40 GFAB COc1ccc2nnc(CCCC(=O)Nc3cc(Cl)ccc3OC)n2n1 71285775 DSXDOTXIGAVVEF-UHFFFAOYSA-N 375.816 2.756 0 40 GFAB O=C(C[C@H]1NC(NCc2ccco2)=NC1=O)Nc1ccc(Cl)c(Cl)c1 13723952 JVXVZWLOABGWQP-CYBMUJFWSA-N 381.219 2.559 0 40 GFAB CC(C)OCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 13945112 YQCXFGJRIHPCGX-UHFFFAOYSA-N 388.917 2.669 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccccc2)c(C)c1 14242011 CYGJQISXLRODJS-QGZVFWFLSA-N 381.476 2.827 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 6579820 YJFGLCPGRDMCRU-GOSISDBHSA-N 381.388 2.691 0 40 GFAB CN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2C 5561828 GWRYSFHVVBRLEU-FQEVSTJZSA-N 380.787 2.752 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCO2 5635942 MQXQBLGXTVTGJN-UHFFFAOYSA-N 388.445 2.842 0 40 GFAB C[C@H]1CCc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CCc2ccccc2)C1 6759909 VOXDTHWZGDHJAA-ZDUSSCGKSA-N 398.484 2.677 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408591371 LQCFDKVGNGIHHV-OAHLLOKOSA-N 382.526 2.837 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1 6947844 CINCOQXVUASCBC-CYBMUJFWSA-N 388.370 2.808 0 40 GFAB CN1c2ccccc2C(=O)N[C@H]1c1ccc(OCCO)cc1Br 15517251 BKBQZAGBGSKHGR-MRXNPFEDSA-N 377.238 2.699 0 40 GFAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 409370948 VRAQCZWADIFDPU-HNNXBMFYSA-N 382.526 2.709 0 40 GFAB O=c1c2ccccc2nnn1CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7777330 WWQMTWASOIVRIE-SFHVURJKSA-N 378.432 2.747 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 7904305 MCFWPNHAIIKYRG-IXDOHACOSA-N 375.513 2.849 0 40 GFAB CN(CC(=O)Nc1nc(-c2ccccn2)cs1)S(=O)(=O)c1cccs1 7989902 ZTXAOQAMNNDWMC-UHFFFAOYSA-N 394.503 2.526 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3n2)cc1 17636396 PQJGPTFNRSDPJF-OAHLLOKOSA-N 396.468 2.827 0 40 GFAB COc1cccc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 8708413 ZRHKVHOGDQGGHR-SFHVURJKSA-N 377.400 2.522 0 40 GFAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCNC(=O)c1ccccc1 8751287 CUDZKFDHBWZESM-FPOVZHCZSA-N 377.488 2.949 0 40 GFAB CN1N=C(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CCC1=O 95956482 IGBQNCOCNFLDHG-UHFFFAOYSA-N 383.477 2.519 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc2ccccc2[nH]1 89274382 ISVVPOBBTIXSRA-HXUWFJFHSA-N 397.500 2.561 0 40 GFAB Cc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc(-n2ccnc2)n1 35598065 MFQQATLUBVNUNW-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)CC1(Cn3cnnn3)CCCCC1)CC2 524733486 NEFCNSBCYRBSBC-KRWDZBQOSA-N 399.495 2.835 0 40 GFAB O=C(COc1ccc(I)cc1)c1c(O)cc(O)cc1O 34132438 PETIQFBXDCWSNL-UHFFFAOYSA-N 386.141 2.670 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2ccccn2)Oc2ccccc21 72339075 RZRXQZIPABIJGK-CZFFTMAUSA-N 377.444 2.653 0 40 GFAB O=C1S/C(=C\c2ccccc2Br)C(=O)N1CN1CCOCC1 33744142 ONDMQYJZVYMYDB-LCYFTJDESA-N 383.267 2.775 0 40 GFAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc(F)cc1 71328304 SHZIQBJVUITEJV-UHFFFAOYSA-N 393.378 2.841 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 45866085 DADDXUROVAIWLF-UHFFFAOYSA-N 375.855 2.553 0 40 GFAB O=C(Cn1ccc(=O)c2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 225721256 CVVSTJRDPFSKGP-RMKNXTFCSA-N 387.483 2.859 0 40 GFAB O=C(NCCN1CCOCC1)c1ccc(CN2CCCc3ccccc32)cc1 44885141 YLMHYFVQRNRNEI-UHFFFAOYSA-N 379.504 2.701 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223771444 DXPABYSAKRRJCJ-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(F)cc2C)c1 225593723 ZCWGKGBNCPKLNZ-UHFFFAOYSA-N 381.381 2.508 0 40 GFAB O=C(Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)N1[C@H]2CC[C@H]1COC2 571147946 CEDVXJBNYVVWJP-STQMWFEESA-N 398.410 3.543 0 40 GFAB O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccc(O[C@@H]2CC2(F)F)cc1 529198780 KTWRLMLDXAOCFH-ZQLFXSSWSA-N 387.426 2.712 0 40 GFAB Cc1noc(-c2cccn3c(CNC(=O)c4ccc(-n5cccc5)cc4)nnc23)n1 225747064 SEZZJNYZGICOCA-UHFFFAOYSA-N 399.414 2.808 0 40 GFAB CCOc1ccc([C@@H]2CCCN2C(=O)c2nnn(-c3ccn(C)n3)c2C)cc1 573050587 BOSAUSZQFFMRBS-KRWDZBQOSA-N 380.452 2.685 0 40 GFAB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)C(C)(C)CN(C)C 96008081 SHMPDRZCLODHAL-LLVKDONJSA-N 395.447 2.654 0 40 GFAB CC(C)(C)OC(=O)N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 96231809 NJNCCNKBZSFHJY-MRXNPFEDSA-N 387.358 2.564 0 40 GFAB Cc1ccc(N2CCC[C@@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)nn1 96217027 ZAEJXQUALOOJLO-LJQANCHMSA-N 390.484 2.605 0 40 GFAB O=C([C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCc2ccccc2C1 96345408 KEURZAHYODCNEZ-HNNXBMFYSA-N 378.407 2.640 0 40 GFAB COc1ccc2c(c1)[C@H]1OCC3(CCN(S(C)(=O)=O)CC3)C[C@@H]1C(C)(C)O2 257241978 IAMBEMCOWNJXRP-FUHWJXTLSA-N 395.521 2.986 0 40 GFAB CC(=O)NCc1ccc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 617157949 ORNKOICKDOMFIK-UHFFFAOYSA-N 395.503 2.666 0 40 GFAB NC(=O)c1c[nH]c2ncnc(N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)c12 621287444 NQJRNMXCMMMWQQ-ZDUSSCGKSA-N 394.483 2.607 0 40 GFAB COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ncn[nH]2)cc1 28846287 WUBJHEGVZZMYML-UHFFFAOYSA-N 383.433 2.796 0 40 GFAB COc1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1O 72327126 HOSJJMOEKIXOQS-UHFFFAOYSA-N 378.476 2.881 0 40 GFAB COc1cccc(OC)c1CN1C[C@H]2N(C)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 72395822 SKBHDLUCVXFNHB-OFNKIYASSA-N 394.471 2.863 0 40 GFAB CCN1CCN(C(=O)c2cc(Br)ccc2Br)CC1 85423435 ZASHYJPTIAVZEA-UHFFFAOYSA-N 376.092 2.989 0 40 GFAB CO[C@@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H](OC)[C@@H]1O 5063448 BUDDROUPGITIJO-LXHROKJGSA-N 388.460 2.536 0 40 GFAB CCCCC(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914262 QSYDUPGEBJZONU-NSHDSACASA-N 378.288 2.748 0 40 GFAB O=C(c1cscn1)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 12134754 SPWAUQVHFKIJRM-LBPRGKRZSA-N 383.477 2.790 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 12143269 AADHFUKLYJMPHH-QGZVFWFLSA-N 392.521 2.611 0 40 GFAB Cn1c(=O)c2c(NC(=O)c3ccc(-c4ccccc4)cc3)ccnc2n(C)c1=O 13011028 RHMTXGSVBQWXCG-UHFFFAOYSA-N 386.411 2.552 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCNCC2)C1 19331623 MBLLWNGOQBJFFL-JOCHJYFZSA-N 397.544 2.661 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@@H](c2nnc(-c3cccnc3)o2)C1 19375442 NMJIXCRPRKUOIN-AEFFLSMTSA-N 376.416 2.762 0 40 GFAB CNc1nc(C2CCN(CCc3ccccc3)CC2)nc2c1CN(C(C)=O)CC2 19711057 JUHQFXYURAJVJY-UHFFFAOYSA-N 393.535 2.845 0 40 GFAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 307019442 VEHUTBBIMHYPBR-GJZGRUSLSA-N 378.425 2.766 0 40 GFAB COCCOc1ccc(CN2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)cc1OC 12252035 OUTIHRVOFRWAJN-NQIIRXRSSA-N 382.460 2.955 0 40 GFAB CC(C)N1C[C@@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1=O 19447644 QHCPDTGNTGAIFW-HGCBZUSOSA-N 399.535 2.565 0 40 GFAB O=C(CCc1ccccc1F)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888879345 XRUGZTNPBVAOQQ-UHFFFAOYSA-N 388.418 2.619 0 40 GFAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)COc4ccc(F)cc4)C[C@H]3C2)nn1 1888888108 KFCMFCHNSKNIHY-HZPDHXFCSA-N 398.482 2.887 0 40 GFAB COc1c(F)c(F)cc(C(=O)NCc2nc(-c3cc(C4CC4)on3)no2)c1F 238938570 VTVQEXRVQIZZAS-UHFFFAOYSA-N 394.309 2.958 0 40 GFAB O=C1COc2ccccc2CC=CCC2(CCN(c3ncccn3)CC2)CN1 2037844009 KTOHWHOQLCJSAH-UHFFFAOYSA-N 378.476 2.761 0 40 GFAB CC(C)N(C)CC(=O)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 1565554397 QCZIGZIEJGOHMU-UHFFFAOYSA-N 375.488 2.650 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(OC)cc3)C(=O)O2)s1 8838585 VZKQERWYMZBGPE-AWEZNQCLSA-N 396.490 2.623 0 40 GFAB Cc1ccc(N2C[C@H](CNC(=O)c3cc4ccccc4oc3=O)OC2=O)cc1 9069485 DPXDZCGMGQJTSH-INIZCTEOSA-N 378.384 2.857 0 40 GFAB CCOc1ccc(N2CCn3c(SCC(=O)NCc4ccco4)nnc32)cc1 9651534 DVZDEJMNCVFHNT-UHFFFAOYSA-N 399.476 2.830 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2cccnc2)o1 10250718 HASRYHGISOBWBZ-UHFFFAOYSA-N 392.824 2.588 0 40 GFAB Cc1cccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10233753 DYAJCVLCUFQUFM-UHFFFAOYSA-N 389.390 2.780 0 40 GFAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc(OC)c(OC)c1 10256058 DFDRDJGSARCEGW-ANGAQGJPSA-N 380.444 2.811 0 40 GFAB CCOc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22794648 TUNBJGQOLUCQRT-OAQYLSRUSA-N 385.483 2.943 0 40 GFAB O=S(=O)(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccc2c(c1)CCO2 1775969683 GGULCZDYMNDDAC-HNNXBMFYSA-N 391.470 2.955 0 40 GFAB Cn1cc(CC(=O)N2CC[C@@H](S(=O)(=O)Cc3ccco3)C2)c2ccccc21 206693031 ONNDNNZZOQFRIL-QGZVFWFLSA-N 386.473 2.530 0 40 GFAB Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc12 49008616 LPXVWLVCYNDLHX-UHFFFAOYSA-N 393.378 2.770 0 40 GFAB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cncc(Br)c1 206834162 XENNEERVKGXALP-NSHDSACASA-N 381.299 2.947 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cccnc2O[C@@H]2CCSC2)n1 225727200 HIKMBRGGJHWIAC-GFCCVEGCSA-N 393.490 2.780 0 40 GFAB O=C(NCCc1ccccc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147126 LPKXZLYLXBYSEV-HNNXBMFYSA-N 391.269 2.645 0 40 GFAB CC(C)N1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 43151847 MUAUVYBIRKUZQG-UHFFFAOYSA-N 382.508 2.726 0 40 GFAB CC(C)(CNC(=O)CCc1ncc(-c2ccccc2F)o1)N1CCOCC1 40043201 WQLUWCMXFNCUQJ-UHFFFAOYSA-N 375.444 2.640 0 40 GFAB COc1ccc(C)cc1NC(=O)CNc1ccccc1C(=O)N1CCC[C@@H](O)C1 40135375 UTSFDOQWSZTAJY-MRXNPFEDSA-N 397.475 2.651 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 31736150 QLLLJZLYSRMPAM-CYBMUJFWSA-N 392.415 2.703 0 40 GFAB CC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)C3CCCCC3)CC1)n2C 20591801 KFZAFIAKYFBQSE-UHFFFAOYSA-N 397.523 2.756 0 40 GFAB CCc1cccc(NC(=O)Cn2nc(C)c(S(=O)(=O)NC(C)(C)C)c2C)c1 32958312 XRUFMXHAKBEXTG-UHFFFAOYSA-N 392.525 2.778 0 40 GFAB CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)NC(C)(C)C 904898 SUUUSLHYMKVOOL-UHFFFAOYSA-N 378.498 2.892 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C)CC1 2653575 ZRVKXCOXDYJOJU-QGZVFWFLSA-N 384.567 2.654 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=S)NC)cc2c1 4134164 ZLNSQFSBUVDGBH-UHFFFAOYSA-N 390.553 2.575 0 40 GFAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCn1nnc2ccccc2c1=O 12389359 WTPAZAGXGCYEGX-HNNXBMFYSA-N 389.459 2.800 0 40 GFAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)OCCc1c[nH]nc1C(F)(F)F 104266155 QLCRBEMNLLFVBZ-YCGNWBHESA-N 391.415 2.772 0 40 GFAB CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)s1 23053425 SXBSBVFKSXNJTL-UHFFFAOYSA-N 398.916 2.509 0 40 GFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@H](C)CCc1ccccc1 47327789 MKKHCKSWDWUEOV-OAHLLOKOSA-N 376.460 2.820 0 40 GFAB COC(=O)[C@@H](OC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)c1ccccc1 23222682 MNJMNEFSOVWJRC-SFHVURJKSA-N 384.388 2.675 0 40 GFAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OC(F)F 23386202 JLDKBFSHJHFITH-UHFFFAOYSA-N 376.315 2.775 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1 61719964 BOECVSHMKNKLFX-UHFFFAOYSA-N 397.500 2.892 0 40 GFAB COc1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)cc(C(=O)O)c1OC 55601097 REKPRMDREGRVQD-UHFFFAOYSA-N 395.408 2.683 0 40 GFAB O=C(NCCc1ccc(OC(F)F)cc1)NC1CCN(CC(F)F)CC1 57989816 TUFKDTRVEFEZSK-UHFFFAOYSA-N 377.382 2.859 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102819349 ZARGVBGIFOXWHK-YWVFQSSISA-N 390.524 2.909 0 40 GFAB CC(C)[C@@H](C(=O)NCc1noc(-c2cccs2)n1)N1C[C@H](C)O[C@H](C)C1 58292456 RJTRHIBYZOGFNI-ZENOOKHLSA-N 378.498 2.548 0 40 GFAB Cn1c(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)nc2ccccc21 12627937 ROIXPNNKLDTVAA-UHFFFAOYSA-N 395.444 2.734 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccc(C)nc2O)CC1 100750105 TWHVTKKJYRTGGP-QKLQHJQFSA-N 396.491 2.904 0 40 GFAB CCN(CC)CCn1c(NC(=O)Cn2c(C)csc2=O)nc2ccccc21 11556168 UMHLVWHCHREGBL-UHFFFAOYSA-N 387.509 2.548 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1C 117227273 ZHFYGTUPUAWWDX-UHFFFAOYSA-N 376.478 2.949 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3O)C2)s1 12756095 FTEUFFMSRCURCN-ZDUSSCGKSA-N 380.491 2.802 0 40 GFAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(C(=O)c2ccccc2)CC1 8767618 URUAXAHXGOHWNX-UHFFFAOYSA-N 398.484 2.535 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1Cl 3595869 WUVOAARHJGALDG-ZMZPIMSZSA-N 379.844 2.788 0 40 GFAB O=C(COC(=O)COc1cccc(Cl)c1)Nc1cccc2nsnc12 19110427 NLEPRHXGPNTHSZ-UHFFFAOYSA-N 377.809 2.905 0 40 GFAB Cc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1 64838439 PMAYVVUZFYAZGH-UHFFFAOYSA-N 396.468 2.937 0 40 GFAB COc1ccc(CCc2nnc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)s2)cc1 71288145 PONUFCKSIQBZKF-KBPBESRZSA-N 375.450 2.627 0 40 GFAB COc1ccc(Br)cc1C(=O)CCC(=O)O[C@@H](C)C(=O)NC1CC1 39514840 RIFMRGRBIYASQA-JTQLQIEISA-N 398.253 2.631 0 40 GFAB CN1CCN(C(=O)CCNC(=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 39982726 NJHDCLZFYUGCIT-LJQANCHMSA-N 385.895 2.975 0 40 GFAB CSc1nc(N)nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N 4358400 AQXIIHAFFOOBMQ-UHFFFAOYSA-N 389.550 2.829 0 40 GFAB NC(=O)CCN(C(=O)COc1cccc(Br)c1)c1ccccc1 9113296 MMVDFKDUJMMQBE-UHFFFAOYSA-N 377.238 2.737 0 40 GFAB CCOCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 13942569 FTJIVJWIYOFJMH-AWEZNQCLSA-N 388.493 2.986 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NCCc1ccc(O)cc1 5349062 YVUQFBDGLKQYIO-ATVHPVEESA-N 382.441 2.787 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC 5329183 KCVJOJVSCOLDRM-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CC(C)[C@H](NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 22065218 CBSPIUHBFLWOQX-QFIPXVFZSA-N 384.499 2.852 0 40 GFAB CCOc1cc2c(cc1/C=C/C(=O)N1CCN(C(=O)C3CC3)CC1)O[C@@H](C)C2 14229821 LPKYFUOTRILYBO-LFAOLKIESA-N 384.476 2.503 0 40 GFAB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 5517820 PKUVBKQBUFCDNX-SFHVURJKSA-N 395.415 2.748 0 40 GFAB CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O 4777164 DXJUFYQMJSBUDO-UHFFFAOYSA-N 380.539 2.930 0 40 GFAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3nnc(C)s3)n2C)c1 4993604 BQOLILPMKUJAOR-VIFPVBQESA-N 390.494 2.770 0 40 GFAB CCCOc1c(Br)cc(C(=O)N[C@H](C)C(=O)NCC)cc1OC 7644308 VAILEHWUQCPIGI-SNVBAGLBSA-N 387.274 2.501 0 40 GFAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 84147674 JCGAEUBAKVVZHD-CJNGLKHVSA-N 383.370 2.717 0 40 GFAB COc1ccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1OC 19880207 JOJJZZMAZUYQSK-UHFFFAOYSA-N 376.403 2.940 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 8429723 BWSLCQRERBMFQL-IBGZPJMESA-N 393.443 2.703 0 40 GFAB COCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408626748 WKOMCJXLKDVVFC-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB Cc1cc(=O)c(OCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c[nH]1 95473033 VTFBDLVFACTRRM-UHFFFAOYSA-N 385.395 2.749 0 40 GFAB Cc1cc(C)cc(C2=CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1 95455959 HDCPFPZVUIUSOF-UHFFFAOYSA-N 381.476 2.784 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(=O)O)cc(-c3cccs3)c12 73666848 RUOAFLASEVQYFF-JTQLQIEISA-N 377.447 2.526 0 40 GFAB CCOc1cc(CN2CCOc3ccccc3C2)nc2nc(C(F)(F)F)nn12 95969662 JYTNMLPMSSRBHC-UHFFFAOYSA-N 393.369 2.936 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 20492905 XLRSAASKEZSEKK-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 408559144 VSYYUJDCILKZMY-INIZCTEOSA-N 382.526 2.792 0 40 GFAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 409210195 IPLXDRJIJPUEGO-SFQUDFHCSA-N 382.441 2.830 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CC)CC2)cc1C 408556378 IDHPMOSTWPKABT-HNNXBMFYSA-N 382.526 2.709 0 40 GFAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O 409103869 ZJYLZMDKCDLCQQ-KPKJPENVSA-N 385.825 2.957 0 40 GFAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccc3)CC1)cn2C 22237314 NFENSTLGNXSXBM-UHFFFAOYSA-N 391.471 2.900 0 40 GFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)cc1 408630317 RPNFGBJGVKFXOC-UHFFFAOYSA-N 394.518 2.976 0 40 GFAB Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)/C=C\C(=O)O)CC1 33330715 ZXHIAIJVXHONLE-KHPPLWFESA-N 393.443 2.537 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccc(F)cc4)C[C@@H]2S3(=O)=O)cn1 306131171 JYCNHOQULPSQJQ-FPOVZHCZSA-N 397.475 2.982 0 40 GFAB COc1cccc(/C=C/C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1OC 32808942 RNHFRSRRHHWFLQ-UELRPHRMSA-N 389.473 2.998 0 40 GFAB CCCn1c(N)c(-c2csc(Nc3ccc(F)cc3)n2)c(=O)n(C)c1=O 8042168 ITYAEIDXYQNULI-UHFFFAOYSA-N 375.429 2.545 0 40 GFAB biogenic CCn1cc(S(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cn1 152454407 SDAMFRCLVRJUKS-CYBMUJFWSA-N 380.539 2.807 0 40 GFAB Cc1ccc2nc(CSCC(=O)Nc3nnc(C(C)C)s3)cc(=O)n2c1 33026777 OPEWLYQGNOHLJG-UHFFFAOYSA-N 389.506 2.850 0 40 GFAB CCCOc1ccccc1CCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 219018415 WNDPKBUMSXMRLI-KDURUIRLSA-N 398.503 2.866 0 40 GFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCCc1ccc2c(c1)OCO2 32747590 BCRWIQXBNZURHM-UHFFFAOYSA-N 388.807 2.726 0 40 GFAB Fc1ccc(-c2cc(CNC[C@H]3COc4ccccc4O3)c3nnnn3c2)cc1 72392374 ZGVFUJBFSUKNCD-SFHVURJKSA-N 391.406 2.860 0 40 GFAB O=C(O)CCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392464 YPMIYIWPLCNWRQ-UHFFFAOYSA-N 383.795 2.624 0 40 GFAB C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)OCO2 48304040 FMLKUJSWBBWMMX-ZDUSSCGKSA-N 379.416 2.852 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225276844 REYJNISOGWHKQS-UHFFFAOYSA-N 398.850 2.973 0 40 GFAB COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Br)ccc32)cc1 226787342 SLNKWLJQVMBOHD-QGZVFWFLSA-N 376.206 2.870 0 40 GFAB Cc1cccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c1Cl 225217862 YTXZQQHWSQROMX-UHFFFAOYSA-N 390.944 2.547 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)s1 225018548 GTUPWCHVVDESIU-UHFFFAOYSA-N 396.538 2.921 0 40 GFAB CCC(CC)NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225694339 DKLRYGGTUHUTDI-UHFFFAOYSA-N 382.526 2.717 0 40 GFAB O=C1C[C@H](c2ccc[nH]c2=O)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96118028 DTNIVPNKBVTAPK-CQSZACIVSA-N 375.363 2.722 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@H]3C1=O 248142572 CJFNYVWELBPKSN-CROMWVBPSA-N 398.478 2.902 0 40 GFAB Nc1ccc(-c2cccc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)n2)cn1 257330940 XQSDWVAWUVBJCG-FQEVSTJZSA-N 390.443 2.705 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(N)=O)C1 257229734 FZHAYXGYMXIMKF-NRFANRHFSA-N 385.439 2.706 0 40 GFAB Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@@H]3Cc2ccccc2)nc(N)n1 257328759 XHACQNVRVHUWNF-NXOMJONSSA-N 391.519 2.724 0 40 GFAB C[C@@]1(c2ccc(CNC(=O)Nc3ccc4occc4c3)cc2)NC(=O)NC1=O 1626936465 VVXRKWACJHGUIZ-FQEVSTJZSA-N 378.388 2.809 0 40 GFAB O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)s1 96119902 PWXFWDAYPJORMU-UHFFFAOYSA-N 389.454 2.986 0 40 GFAB CC(C)c1ccc(-c2csc(N3C(=O)N[C@@H]4CS(=O)(=O)C[C@H]43)n2)cc1 575424455 AKSKHJYFZRRVMG-HUUCEWRRSA-N 377.491 2.629 0 40 GFAB CC(=O)N1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 24838775 VJPCIOBFYIAQAQ-UHFFFAOYSA-N 396.104 2.577 0 40 GFAB Cc1ccc([C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c2cccs2)cc1 29940546 OATNJZDVZGTKNW-QGZVFWFLSA-N 389.502 2.562 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 45744016 QTEYOSSRILDDEH-MRXNPFEDSA-N 378.473 2.811 0 40 GFAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cc2c(F)cccc2s1 46051591 JYKIUBNTGNKBEH-XJKSGUPXSA-N 378.469 2.508 0 40 GFAB CCOc1ccc(C(C)=O)cc1COC(=O)Cc1n[nH]c(=O)c2ccccc12 5754677 MWVKIEZDCCFZFN-UHFFFAOYSA-N 380.400 2.810 0 40 GFAB O=c1c(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)coc2ccccc12 12122396 LLXGRFWAEZYHHT-UHFFFAOYSA-N 386.411 2.909 0 40 GFAB COc1ccc(CC(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)cc1OC 12146125 LNIDMFQRGALKOH-UHFFFAOYSA-N 398.488 2.865 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NC3C4CC5CC(C4)CC3C5)n2)c(C)o1 12183834 ZUUGRJUQAPENIH-UHFFFAOYSA-N 396.491 2.643 0 40 GFAB C[C@@H](O)CN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 12185765 YWAQLHWCUUBRFF-MRXNPFEDSA-N 382.460 2.925 0 40 GFAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(S(C)(=O)=O)C3)cc2n1 12220437 YTEQDHSNTZGYDW-JTQLQIEISA-N 376.404 2.620 0 40 GFAB Cc1ccc(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 13673649 VRLLZALPYOEOOP-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCCc2ccccc21 13693354 GFKUAZREFINXRO-UHFFFAOYSA-N 375.428 2.701 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc2c(c1)OCO2 15267268 WRCKJFUIURQELA-UHFFFAOYSA-N 388.445 2.761 0 40 GFAB Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCCCC1 16976157 OIDGFGBUTGPAKQ-UHFFFAOYSA-N 379.457 2.892 0 40 GFAB COc1ccc2c(c1)C=C(CN1CCc3nc([C@H]4CCCN4)ncc3C1)CO2 19562266 LNMFEQOVCGWJOU-HXUWFJFHSA-N 378.476 2.744 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2OC)cc1C 6426320 OIYJUENUMCDILA-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1cnn(C)c1 500728362 ZNQWYYMCGPCKCT-WIYYLYMNSA-N 398.482 2.752 0 40 GFAB CC(=O)N1CCCCc2ccccc2OC[C@H](Cc2ccccc2)NC(=O)C1 643584214 XRZIAUPAUWWQLM-NRFANRHFSA-N 380.488 2.978 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C[C@H](C)n3ccnc3)C2)C1 12087153 QMCLNBZRWYHXKQ-HTAPYJJXSA-N 396.491 2.637 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(c2onc3c2CCCC3)CC1 12119807 QWVNMQGVPZMCEW-UHFFFAOYSA-N 392.459 2.739 0 40 GFAB CC(=O)Nc1nc(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cs1 12219595 MYMUNHPYTKCMSV-UHFFFAOYSA-N 398.448 2.566 0 40 GFAB Cc1nc(C)c(CC(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)s1 12408023 TYDAFEYSSOVDOZ-UHFFFAOYSA-N 399.476 2.859 0 40 GFAB CCOc1cc(CN2CCc3c(O)nc(-c4cnccn4)nc3C2)ccc1OC 19532113 CRZGXPUDUABMFX-UHFFFAOYSA-N 393.447 2.605 0 40 GFAB CSc1nc(C)c(C)c(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1 1888866357 KYKHVKKCIDFGQQ-UHFFFAOYSA-N 388.419 2.539 0 40 GFAB COc1ccc2ccccc2c1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1 245174492 YPELSQKZUOQOFX-UHFFFAOYSA-N 396.443 2.751 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988955 OXOWUNQYMREJJK-UHFFFAOYSA-N 382.382 2.595 0 40 GFAB Cc1csc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 1565551893 WYCALDRVTYLRCZ-LJQANCHMSA-N 384.461 2.841 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 6646109 FFBISRRZTPMMHX-TYSVBCRUSA-N 391.398 2.849 0 40 GFAB CC(C)(C)n1ncc2c(=O)n(NC(=O)COc3ccc4ccccc4c3)cnc21 10250866 OSRLRVQLXJHVED-UHFFFAOYSA-N 391.431 2.650 0 40 GFAB CCc1ccc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)cc1 10272840 PYHPBUFKBZBOMF-UHFFFAOYSA-N 377.444 2.817 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(C)no3)n2)cc1OC 11693370 MHSORGSPPVCBCB-UHFFFAOYSA-N 398.419 2.643 0 40 GFAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)no1 11737960 UHFPLVVHPZVNSO-UHFFFAOYSA-N 387.396 2.895 0 40 GFAB COc1ccc(CCNC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)cc1 35592734 MLZFZIBDJHCHMS-UHFFFAOYSA-N 380.400 2.980 0 40 GFAB CC(=O)c1sc(NC(=O)[C@H]2CCCN(c3cc4c(nn3)CCC4)C2)nc1C 585150577 UDDVPRCTJAARSP-AWEZNQCLSA-N 385.493 2.788 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C 19556165 DZQMUBHFEAZSIZ-BFUOFWGJSA-N 382.512 2.559 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 40082922 XPJVIJWZHYIXGM-UHFFFAOYSA-N 387.461 2.827 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)c1csc(Cc2ccccc2)n1 40107049 HTMQHGQZWWMFJV-UHFFFAOYSA-N 376.445 2.640 0 40 GFAB COc1ccc(Oc2ccc(CNC(=O)[C@@H](C)NC(=O)c3ccoc3)cn2)cc1 40154780 MJOHHXBJJVGQIQ-CQSZACIVSA-N 395.415 2.910 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCCO3)CC2)cc1 40108593 GMGBQEGMIGYPLJ-SJLPKXTDSA-N 394.537 2.602 0 40 GFAB CCn1c(=O)n(Cc2ccccc2Cl)c2cc(S(=O)(=O)N(C)C)ccc21 32776985 FSSVURDQUKFSSM-UHFFFAOYSA-N 393.896 2.775 0 40 GFAB COc1cc(C)c(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC 32915775 IEJHVYNFZREOOF-OAHLLOKOSA-N 375.469 2.879 0 40 GFAB CC(C)n1nnnc1SCC(=O)c1ccc(CNC(=O)C(C)(C)C)s1 8878712 MDRZTCBVTLYGPT-UHFFFAOYSA-N 381.527 2.953 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C2CC2)cc1 12068186 UOMZGUYVNXZEFL-UHFFFAOYSA-N 399.472 2.745 0 40 GFAB Cc1ccc(-c2ccc3nnc(C)n3n2)cc1S(=O)(=O)N1CCCCCC1 33269714 XOEPKPWCYOOEAL-UHFFFAOYSA-N 385.493 2.973 0 40 GFAB Fc1ccc(OCCN2CCC(Nc3cc(-n4ccnc4)ncn3)CC2)cc1 79064072 ZEEJNDNJAGDPGA-UHFFFAOYSA-N 382.443 2.757 0 40 GFAB CN1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 2377039 FFXQZPNQCIUTQO-JOCHJYFZSA-N 395.528 2.848 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(C(=O)COC3CCCC3)CC2)cc1F 53414781 FJZJWXHOZMUTTM-UHFFFAOYSA-N 376.472 2.948 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)nn1 6441760 POLFTXYTKYPHLD-TZWRJOPASA-N 383.407 2.882 0 40 GFAB Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)cc1 6730542 GXYPGTWSNDMLJO-UHFFFAOYSA-N 383.411 2.981 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCCOc2ccc(C)cc2)C1=O 7780223 DLRYEHJQLOOUMY-JOCHJYFZSA-N 396.443 2.774 0 40 GFAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 7803722 OYKFWSQFQOSJRJ-FMIVXFBMSA-N 384.501 2.850 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)c1 7881547 JONGHRCYRBABEZ-MRXNPFEDSA-N 397.427 2.791 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102084653 VDKOGNUUZLMWFL-LBTBCDHLSA-N 381.428 2.770 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 12374056 CSZRWPXQCIDIHT-OAHLLOKOSA-N 381.480 2.711 0 40 GFAB C[C@@H](SCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8937174 GQIQJBWZGUPZKV-ZWNOBZJWSA-N 381.441 2.630 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408713 HFUQIEPRJSUBLL-RBUKOAKNSA-N 376.522 2.567 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c1C 34870360 SNMWYMVJOMHCIG-UHFFFAOYSA-N 387.430 2.978 0 40 GFAB NC(=O)C1CCN([C@@H](c2ccccc2F)c2nnnn2C2CCCCC2)CC1 57669526 ZCUKVPHNRUPRLG-SFHVURJKSA-N 386.475 2.604 0 40 GFAB COc1cccc(CN(C)C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1OC 25452883 GPYWWNCUWUVHBH-UHFFFAOYSA-N 396.443 2.625 0 40 GFAB N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1 12505637 ASEHVVLKXTZFBY-OAQYLSRUSA-N 376.504 2.819 0 40 GFAB Cc1cccc(N2CCN(C(=O)Nc3ccc(C)c(-n4cnnn4)c3)CC2)c1 44246424 PGXHSQCEFAOHIA-UHFFFAOYSA-N 377.452 2.633 0 40 GFAB O=S(=O)(O)c1c(Cl)c(Cl)c(S(=O)(=O)O)c(Cl)c1Cl 1816838 DAIYARPVESTZCJ-UHFFFAOYSA-N 376.022 2.794 0 40 GFAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC[C@H]1CCCO1 3255109 AHSQPENSJKMJED-LLVKDONJSA-N 396.802 2.895 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)Cn3ccnc3)CCCC2)cc1C 48128941 NAOQQRQLUUWGOA-QGZVFWFLSA-N 389.521 2.791 0 40 GFAB CCOC(=O)c1sc2ncn([C@@H](C(=O)N(C)C)c3ccccc3)c(=O)c2c1C 48264741 RCVQVAYCKINFFQ-OAHLLOKOSA-N 399.472 2.621 0 40 GFAB CCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2122083 ASTVQIYCKUTUJK-UHFFFAOYSA-N 387.432 2.756 0 40 GFAB biogenic COc1ccc(CNC2=N[C@H](c3ccc(C)cc3)n3c(nc(C)cc3=O)N2)cc1 101983072 YEHPMXPUVMGYJC-FQEVSTJZSA-N 389.459 2.987 0 40 GFAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 108343961 FCLZRQJWBSZGNS-OXQOHEQNSA-N 386.517 2.797 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2OC)n1 11169461 NNVXEVWIJZTQCN-UHFFFAOYSA-N 380.422 2.527 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 100398447 YEFCTMCIJSAHED-BRFGJLLKSA-N 377.227 2.691 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 10153450 ZMPGKJFLEHBQSA-INIZCTEOSA-N 377.404 2.784 0 40 GFAB Cc1cccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20490164 SZURIPYPSNTCHS-UHFFFAOYSA-N 389.521 2.600 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 12802362 XNKOUPYCIXBHFB-CYBMUJFWSA-N 396.896 2.894 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1F 3438930 RDPOSYVJDGGGIY-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB Cc1ccc(SCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1 12920053 CATZTGUCVNELGZ-UHFFFAOYSA-N 392.546 2.609 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CN3CC=C(c4ccccc4)CC3)nc2c1 12918117 BXQVVSJJNVPWFK-UHFFFAOYSA-N 375.428 2.999 0 40 GFAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1Cc1cccs1 12906876 LDEIPEDZHMTJRD-UHFFFAOYSA-N 381.461 2.541 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(F)c1 12911353 QOXFYUPFVUBMFI-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(F)c(F)c1)CC(O)=N2 71282851 AAKTTWBIVJEDMV-RYUDHWBXSA-N 381.404 2.953 0 40 GFAB COCCCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 4085106 AKAKSQGDIARQSE-PZJWPPBQSA-N 389.455 2.791 0 40 GFAB biogenic COc1ccc(-c2nc(CC(=O)OCC(=O)N3CCCC3)cs2)cc1OC 39576496 NDCLURRPTQSFPP-UHFFFAOYSA-N 390.461 2.535 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(NC[C@@H]2CCCO2)s1 14241945 OKJXXEYCJCMURM-NEPJUHHUSA-N 396.542 2.599 0 40 GFAB Cc1cccc(Nc2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1 72376006 KEWYXBXBMOUOPK-HNNXBMFYSA-N 375.498 2.514 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(N2CCCC2=O)c1 6988603 OLXYOHCPLYWRHW-UHFFFAOYSA-N 379.416 2.568 0 40 GFAB Cc1sc(NC(=O)[C@@H](C)Sc2nc(N)cc(=O)[nH]2)nc1-c1ccccc1 4911122 CPQLERJPSHACJL-SNVBAGLBSA-N 387.490 2.903 0 40 GFAB COCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OC 7006817 UJWIENAZJYSEGX-UHFFFAOYSA-N 384.841 2.734 0 40 GFAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72374846 CKBTULRNXJXFLD-KRWDZBQOSA-N 380.496 2.725 0 40 GFAB COc1cc(C(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1Br 7948936 AIZDZNCGRBNNTR-UHFFFAOYSA-N 379.210 2.818 0 40 GFAB CCN1C[C@@H](CN(C)Cc2cc(=O)n3ccc(C)cc3n2)Oc2ccccc21 16423596 MCCQPSDAWJXRBQ-GOSISDBHSA-N 378.476 2.722 0 40 GFAB COC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1ccc(C)cn1)C(F)(F)F 19944454 MNYWUUBALOUMKE-KRWDZBQOSA-N 381.354 2.972 0 40 GFAB Cc1cccc(-n2nnnc2SCC(=O)NCCc2ccccc2F)c1C 8745257 PQBVTLIYPJOYHQ-UHFFFAOYSA-N 385.468 2.869 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 9682047 NLEXCRMKNCVTJH-UHFFFAOYSA-N 375.881 2.920 0 40 GFAB O=C(NCc1ccnc(N2CCCCC2)c1)c1ccc(Cc2nc[nH]n2)cc1 95452062 TULJMUNEPOFUAE-UHFFFAOYSA-N 376.464 2.711 0 40 GFAB Cc1noc(C)c1[C@@H](C)NC(=O)N1CCCN(C(=O)c2ccsc2)CC1 95959518 FIXOESCLJUEAMA-GFCCVEGCSA-N 376.482 2.972 0 40 GFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20038488 MHKOMYDUWYJVBB-PKOBYXMFSA-N 380.554 2.966 0 40 GFAB CCc1ccc(NC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)cc1 20192462 DEJYECDKTVAQRQ-UHFFFAOYSA-N 387.436 2.890 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(OC)ccc2OC)c1 26529097 HSZZLDKYQXIWNY-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB COc1ccc(OC)c(C(=O)Cn2nc(N)n(Nc3cccs3)c2=S)c1 36625652 RHGGOMZQTIUFEM-UHFFFAOYSA-N 391.478 2.833 0 40 GFAB CN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)C1CCCC1 38754736 WNZZFGXTNBRGMM-UHFFFAOYSA-N 389.315 2.616 0 40 GFAB Cc1cc(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccn1 527535065 QMYQKZFGUUZDCR-UHFFFAOYSA-N 399.438 2.915 0 40 GFAB CNc1cc([C@@H]2CCCN(CCc3ccccc3)C2)nc(CN(C)C(C)=O)n1 72370155 FWWXEMZEECSGAQ-LJQANCHMSA-N 381.524 2.919 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1C 30322548 ZVBUPTWQCNKQSB-UHFFFAOYSA-N 394.537 2.807 0 40 GFAB O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2cccs2)n[nH]1 70655830 VGNHRAPGVYUIJZ-UHFFFAOYSA-N 391.456 2.792 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 72376009 CUVPEHYYIWWRLQ-INIZCTEOSA-N 389.525 2.986 0 40 GFAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)ccc1O 31860821 VJXYCGBOCOGNJF-QYDGOFIISA-N 399.443 2.948 0 40 GFAB CN(CC(=O)NCCCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 219694982 YRRAZUOKRIKCNM-UHFFFAOYSA-N 398.887 2.849 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218599744 KNSPEFDVYGFDKP-SOLBZPMBSA-N 397.855 2.679 0 40 GFAB COCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224430485 XCUKRADVEULOOB-UHFFFAOYSA-N 396.896 2.537 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 225007105 GCBVGFIWTXIVEK-QMMMGPOBSA-N 387.870 2.863 0 40 GFAB CN(C)C(=O)c1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1 225827781 SSUOVELQIIFVHR-UHFFFAOYSA-N 387.490 2.987 0 40 GFAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c1 222850267 AFURWVIYOKDXTD-UHFFFAOYSA-N 390.505 2.978 0 40 GFAB O=C(c1cncc(Br)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 225662676 JUMASTLQAJMUDG-UHFFFAOYSA-N 384.237 2.800 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)CCc1ccccc1)C2 96238124 UQCSXKLCLCTRBF-NRFANRHFSA-N 383.517 2.630 0 40 GFAB Cc1cc2cc(NC(=O)N3C[C@@H](C(=O)O)[C@H](C(F)(F)F)C3)ccc2n(C)c1=O 580300398 GPCWUJXVRZXLOB-CHWSQXEVSA-N 397.353 2.574 0 40 GFAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)cs1 248056299 UNYHYBVWLKJIAJ-AWEZNQCLSA-N 379.507 2.807 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2c1=O 245228321 QBGATFOBPAMMAA-CPUCHLNUSA-N 385.464 2.657 0 40 GFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4F)CC3)n2)c1 256048298 SAARJGMKWSXMJI-UHFFFAOYSA-N 381.411 2.740 0 40 GFAB COc1ccc(C(=O)NC[C@H]2CC[C@H]([C@H](NC(C)=O)c3ccccn3)CC2)cn1 257326407 WXCYYCLLMXWUSE-FIKGOQFSSA-N 396.491 2.899 0 40 GFAB O=C(CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CC1 257326557 WXQHLNIHCNSXNR-GFCCVEGCSA-N 380.370 2.823 0 40 GFAB CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cnn(-c2ccccc2F)c1 620915159 CXCINSYAJDNUAW-KRWDZBQOSA-N 386.471 2.727 0 40 GFAB C[C@H]1NC(c2nc(C3(c4ccncc4)CCC3)no2)=NN(c2ccccc2)C1=O 656032915 WHUHSRVOYMDMHN-CQSZACIVSA-N 388.431 2.621 0 40 GFAB O=C(Cc1noc2ccccc12)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099409 FOAOZNNUCKJMCZ-UHFFFAOYSA-N 384.457 2.835 0 40 GFAB O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)N[C@@H]1CCCC12CCCCC2 664591318 NZYHUUVWEOVSHF-MDZRGWNJSA-N 384.542 2.525 0 40 GFAB COc1nc(CNC(=O)Nc2ccccc2C(F)(F)F)nc(N2CCCC2)n1 575603300 CROBLEJIJCRIJN-UHFFFAOYSA-N 396.373 2.821 0 40 GFAB CCc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 575421329 OOCOGFWVAOZTJK-QGZVFWFLSA-N 379.503 2.631 0 40 GFAB O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)N[C@H](C1CC1)[C@@H]1CCCCO1 585090956 FCUJSFZXOYWUMM-GOEBONIOSA-N 391.434 2.577 0 40 GFAB CN(c1ccccc1)C1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 68110452 GZSUQBFTCAMFPN-UHFFFAOYSA-N 392.463 2.587 0 40 GFAB CC(C)(C)OC(=O)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 865457732 QADQKTIRWBTAOP-UHFFFAOYSA-N 395.467 2.634 0 40 GFAB CCOC(=O)COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 685971 RTTUYKSJLSVMIZ-WJDWOHSUSA-N 381.384 2.982 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615119342 FSYRGRHCERDYIE-JOCHJYFZSA-N 398.434 2.629 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615118122 AOGZIDWNTFTWKY-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB Cc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)no2)cc1F 11916798 JYDOEMPEHAOAFE-UHFFFAOYSA-N 375.381 2.689 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 12365184 LHEIGZRRMPIKNW-JKSUJKDBSA-N 379.464 2.845 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(C)c1 13131680 LPMYVOFXBJTOLE-SFHVURJKSA-N 376.420 2.918 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3CCCCC3)CC1)N2 19128728 YKHYJOBAPZYDKK-DLBZAZTESA-N 395.498 2.906 0 40 GFAB C[C@@H](Cc1ccc(F)cc1)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220782 ZAJFZISAUXEJHM-SDYXESRWSA-N 381.451 2.829 0 40 GFAB O=C([C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)N1CCSCC1 1888913795 ACQPOYRNLSBZMZ-HNNXBMFYSA-N 375.321 2.770 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037840216 JHGVKAOVANXFHD-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB Cc1nc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)co1 2037840423 MIKXOSIBVOMEHV-HXUWFJFHSA-N 387.411 2.550 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)c(C)c1 253472614 NWWUSGBHOCVOKK-GOSISDBHSA-N 393.486 2.873 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1F 4594512 RZUIUVVVHUDYBL-INIZCTEOSA-N 399.275 2.710 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1OC 5329286 WQBCBUGORMJNDZ-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB Cc1ccc(-n2ccnc2N2CCN(C(=O)COc3ccccc3)CC2)cc1 11695658 UDDDNZUXMCXJJP-UHFFFAOYSA-N 376.460 2.908 0 40 GFAB COc1cccc(C2=NC3(CCN(C(=O)c4ccccc4C)CC3)NC2=O)c1 15865133 QFDZJOSZAJWDQP-UHFFFAOYSA-N 377.444 2.555 0 40 GFAB COc1cccc(CN2CC[C@]3(CCC[C@H](CNC(=O)c4cccn4C)O3)C2)c1 2055824370 JLMKNRFZYFHPLC-NFBKMPQASA-N 397.519 2.977 0 40 GFAB CC(C)(C)OC(=O)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775978011 MMVBSFZTYUJRBL-UHFFFAOYSA-N 395.467 2.634 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1 23181815 OESLHSHWMJLNRQ-QAPCUYQASA-N 380.535 2.797 0 40 GFAB O=C(Cc1cc(=O)[nH]c(SCc2ccccc2)n1)Nc1ccc2c(c1)OCO2 23242088 FFUDFGKMUMAOSS-UHFFFAOYSA-N 395.440 2.972 0 40 GFAB CCOc1ccc2nc(NC(=O)[C@H](C)n3nc4c(cc3=O)CCC4)sc2c1 575620491 RMHXBJYMMLPBEE-NSHDSACASA-N 384.461 2.940 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1cccs1)C1CC1 77099519 KPMXLIKYWZOBIX-SFHVURJKSA-N 381.519 2.950 0 40 GFAB Cc1ccccc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 45970185 ZZQDRUKRCWWASE-UHFFFAOYSA-N 383.477 2.790 0 40 GFAB C[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)c1nc(-c2cccnc2)no1 40042704 CFPVHLDPHGVMJR-GFCCVEGCSA-N 380.433 2.918 0 40 GFAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc2nc(O)[nH]c(=O)c2c1 40118687 WFRAOLBAXOUULX-UHFFFAOYSA-N 388.383 2.855 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(Cc3noc(-c4ccc(F)cc4)n3)c(=O)c12 31758521 OIHKHIHFWLXQQT-UHFFFAOYSA-N 398.350 2.712 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F 31812095 MXBFGIRVUMACIA-QGZVFWFLSA-N 394.834 2.813 0 40 GFAB COc1ccc2c(ccn2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 20762030 FLSRXHAKOWBIRZ-IBGZPJMESA-N 391.427 2.943 0 40 GFAB biogenic COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)N4CCCCC4)CC3)c2c1 32444624 IFOGEHPVMDBLLJ-UHFFFAOYSA-N 375.494 2.996 0 40 GFAB CC(C)n1cnn(CN2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1=S 32803795 SHWROEIGZPUTRY-UHFFFAOYSA-N 395.554 2.656 0 40 GFAB C[C@]1(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCS(=O)(=O)C1 32942134 WVUSXKHYJNSIGJ-FQEVSTJZSA-N 387.505 2.584 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc[nH]2)c1 2640551 NGBVIFUQIKLYDZ-UHFFFAOYSA-N 398.868 2.738 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccncc2)n1C 2643854 GFWPTBWWRKBSBS-UHFFFAOYSA-N 399.476 2.974 0 40 GFAB S=C(NC[C@@H]1CCCO1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 1349618 ACSLIDFTZZIDFE-INIZCTEOSA-N 388.562 2.986 0 40 GFAB CCOc1ccc(/C=C/C(=O)Oc2ccc3cc(C(N)=O)c(=O)oc3c2)cc1 1810937 HIRCTGJPMUIKFH-BJMVGYQFSA-N 379.368 2.909 0 40 GFAB COc1ccc2[nH]cc(C3=CCN(CCN4C(=O)NC(C)(C)C4=O)CC3)c2c1 53074275 UGVOQFCKYHOCJO-UHFFFAOYSA-N 382.464 2.596 0 40 GFAB O=C(Oc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680495 DTSJPGSNKANOOS-UHFFFAOYSA-N 395.458 2.871 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OCC)cc1 6880503 UEPNUAAJXXVVQD-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)c(Br)cc1OC 6950787 GPBRJAHYNIHPPG-WDZFZDKYSA-N 385.283 2.934 0 40 GFAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1oc(C(C)(C)C)cn12 8725135 APDOPPZIHMJODK-UHFFFAOYSA-N 386.839 2.940 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1=O 22726256 FWTRPTILXQBWPZ-UHFFFAOYSA-N 399.834 2.690 0 40 GFAB Cc1ccccc1CN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 22818231 VYLUJWMYXGONSK-QGZVFWFLSA-N 381.476 2.869 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c(F)cc1F 22889734 HKJHSZCEDPVDQL-AWEZNQCLSA-N 378.331 2.588 0 40 GFAB Cc1noc(-c2ccc(C(=O)OCC(=O)N[C@@H]3CCOc4ccccc43)cc2)n1 22977907 CGLVPOVIFXOPEZ-QGZVFWFLSA-N 393.399 2.842 0 40 GFAB Cc1ccccc1N1C(=O)[C@@](NC(=O)Cc2ccccc2)(C(F)(F)F)N=C1O 12322320 YMXQKWRUVLSQMQ-SFHVURJKSA-N 391.349 2.873 0 40 GFAB Cc1nn2c3c(sc2nc1=O)C(=O)N(c1ccc(Cl)c(Cl)c1)C3=O 954375 USYRDZHJEAISNZ-UHFFFAOYSA-N 381.200 2.567 0 40 GFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)sc1C 25346303 CKBWKKUGCBQQCF-UHFFFAOYSA-N 378.519 2.653 0 40 GFAB CCOc1cc(CN(C)Cn2nnc3ccccc3c2=O)ccc1OC(F)F 25483039 PAYMYRJHBIACFK-UHFFFAOYSA-N 390.390 2.881 0 40 GFAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 22801372 HQDBMYPQUIFIMK-KRWDZBQOSA-N 398.482 2.717 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 26053462 ZJZBVFIBQLLFFE-UZLBHIALSA-N 376.522 2.933 0 40 GFAB CC(C)NC(=O)CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1 23139884 VXUTUXRTQYLTEN-UHFFFAOYSA-N 395.529 2.621 0 40 GFAB COC(=O)c1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c1 58010994 RATZNTCDOVNJCV-GASCZTMLSA-N 398.463 2.804 0 40 GFAB NC(=O)[C@@H](NC(=O)c1cccc(-n2cc(Br)cn2)c1)c1ccccc1 58054504 MMXYPSPENDJJNT-INIZCTEOSA-N 399.248 2.591 0 40 GFAB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 58192767 XSCXWUOLUIFDNS-XMSQKQJNSA-N 397.496 2.976 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 48263054 ODJSIDOJGOERAR-ZDUSSCGKSA-N 390.461 2.753 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(F)cc1 2257634 FHJFUXNHBYZHST-ABAIWWIYSA-N 378.425 2.664 0 40 GFAB O=C(CN1C(=O)[C@]2(CC(O)=Nc3[nH]ncc32)c2ccccc21)Nc1ccccc1 20714480 QPCPUOOMDCSGHJ-OAQYLSRUSA-N 387.399 2.673 0 40 GFAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 10707193 WDUULBGCUSFWKJ-UHFFFAOYSA-N 395.484 2.776 0 40 GFAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 113957884 WYKDJAKCJXWIAQ-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB COc1ccccc1C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(O)nn2)c1C 58984069 LSIWWDFCTXIQOM-MRXNPFEDSA-N 393.447 2.532 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3COc4ccccc4O3)c2C)no1 3497937 SWEIVALEPVNESK-LJQANCHMSA-N 396.399 2.956 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1 12982681 UENZSMUBFVHUSO-UHFFFAOYSA-N 376.453 2.881 0 40 GFAB O=C([C@@H]1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 12972979 FDRPUGWRANESSJ-HXUWFJFHSA-N 384.501 2.640 0 40 GFAB COc1ccc(NC(=O)[C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1 5030857 MFUCTDHQMBXEHF-GOSISDBHSA-N 386.404 2.853 0 40 GFAB COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)c1ccccc1 5286901 SEWCXJYJKFZDBK-UHFFFAOYSA-N 387.457 2.581 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C 24812472 NVWVLOVLBOVGJN-OAQYLSRUSA-N 395.503 2.742 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)c(C)c1 14140303 JPPPKZLNJSZUML-UHFFFAOYSA-N 382.489 2.758 0 40 GFAB COc1cc([C@]2(C(F)(F)F)C(=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O 66089256 GEXAGNTVYBSMIA-QGZVFWFLSA-N 398.289 2.906 0 40 GFAB COc1ccc(Cn2nnc(C(=O)O)c2-c2ccncc2)cc1Br 71327498 AFQMHGPIJXKKSC-UHFFFAOYSA-N 389.209 2.858 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CCCCCC1 408597669 ZYCGONZJDQPNIK-UHFFFAOYSA-N 394.537 2.951 0 40 GFAB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NCc1ccco1 5970727 KDNXUXXSRNPEKB-HNNXBMFYSA-N 399.447 2.772 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1C 7005519 PCULUKPXVPMUGB-UHFFFAOYSA-N 389.415 2.613 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)C 7671202 GNDXIWSNTVUZIH-MRXNPFEDSA-N 388.464 2.754 0 40 GFAB biogenic COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)c3ccccc3C2=O)c1 7895057 ZBWLRLCOAZXWJL-SFHVURJKSA-N 394.427 2.664 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccccc2OC)cc1 7985564 FTUCVJIWRYOIRV-ZDUSSCGKSA-N 385.420 2.561 0 40 GFAB CN(Cc1ccccc1Cl)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 17918354 IJIHIPPNHDODNG-UHFFFAOYSA-N 399.878 2.855 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 409375406 KJDBLYNCKSRURG-UHFFFAOYSA-N 382.526 2.901 0 40 GFAB O=S(=O)(CCc1ccccn1)NC1(c2ccc(Br)cc2)CC1 95955596 RNCJWGZHCOIODD-UHFFFAOYSA-N 381.295 2.995 0 40 GFAB CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)NCCN(C)C 89856454 PIWNMCGBBBDIII-KRWDZBQOSA-N 392.931 2.503 0 40 GFAB COCC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccccc3)C(=O)C[C@@H]12 306127844 GIWBUVGXFJVOHT-QPPBQGQZSA-N 392.499 2.994 0 40 GFAB COc1cccc(OCc2ccc(C(=O)N3CCN(c4ncccn4)CC3)o2)c1 28227778 CVISQTGRAXLJDI-UHFFFAOYSA-N 394.431 2.620 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1C 20016350 LAZKCVIRSVHFOL-AWEZNQCLSA-N 394.468 2.516 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 32094373 YAVPUXXVYBKRFO-SFHVURJKSA-N 379.420 2.662 0 40 GFAB CC(=O)N1CCCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc23)CC1 36646270 CNEXSLJERAPMOB-UHFFFAOYSA-N 378.480 2.799 0 40 GFAB COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1C1=CC(=O)O[C@H]1CC(=O)O 31161074 LZDLOICWXKFSMI-AWEZNQCLSA-N 386.356 2.566 0 40 GFAB biogenic,in-vitro COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc(C)c(C)c1-n1cnnn1)CC2 524734923 JLPDWUBBHKFLHU-QGZVFWFLSA-N 393.447 2.714 0 40 GFAB CC(=O)NCCCCCCNC(=O)CCCCNC(=O)OCc1ccccc1 526059751 IOPVJEVMMHXPPL-UHFFFAOYSA-N 391.512 2.896 0 40 GFAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)C)CCO1 72389220 QZXPVUJGIOJPOX-NRFANRHFSA-N 386.517 2.957 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc3ccccc3c(O)n2)cc1OC 532251830 KWIUZUSIPKYCAI-OAHLLOKOSA-N 396.399 2.903 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)cc1 32123851 KGFHJWXSSKAWHF-GOSISDBHSA-N 377.404 2.771 0 40 GFAB biogenic CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 72374955 XMZCERFANUKXGR-QGZVFWFLSA-N 381.480 2.679 0 40 GFAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 222540311 UIDMKFPNFWTCDD-MRXNPFEDSA-N 388.489 2.759 0 40 GFAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935919 DZQDVMXNXSDGHZ-APWZRJJASA-N 388.489 2.790 0 40 GFAB O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc2n(n1)CCO2 564509695 GCJZQXIOHDXQPA-GFCCVEGCSA-N 381.263 2.981 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 223869084 JWKJJMTWDBMURC-KGLIPLIRSA-N 377.462 2.743 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 44949591 HKODMPJPFWQXPR-LBPRGKRZSA-N 380.441 2.624 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1 223246199 ZCZTXAHRTADCJR-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB COc1cccc(N(CCCC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 222594060 VHVPAGSXICDVGW-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB C[C@H](CC(=O)NCCCN1CCOCC1)CC(=O)Nc1ccc(Cl)cc1 199422164 NKVRLDDLGBLOFE-OAHLLOKOSA-N 381.904 2.533 0 40 GFAB CCOc1cc([C@@H](N)c2n[nH]c(CCNc3cccc(OC)c3)n2)ccc1OC 95534409 QGJMWSAVRMRJKF-HXUWFJFHSA-N 397.479 2.923 0 40 GFAB COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c(O)nc2ccccn2c1=O 96117547 NRRUORWZMJWNTI-NSHDSACASA-N 376.771 2.888 0 40 GFAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)C(=O)N1CC1CC1 96261476 CMTLBKMLRXYXMH-ZRCGQRJVSA-N 394.519 2.690 0 40 GFAB O=C(COc1ccccc1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 96113155 AZBFAVUDNBOAJK-MRXNPFEDSA-N 396.365 2.786 0 40 GFAB biogenic,in-vitro Cc1ccc(C(=O)N2Cc3cncn3[C@@H](COCC3CCOCC3)C2)s1 247814516 BTCYWEJITNZMEP-QGZVFWFLSA-N 375.494 2.893 0 40 GFAB CCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596701 VDVSVDCAVITWMQ-DBJBMQMSSA-N 386.492 2.874 0 40 GFAB CN(c1ccccc1)c1nc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cs1 623480561 YVELZTYNRSZVRT-KRWDZBQOSA-N 386.521 2.848 0 40 GFAB CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)c3ccccc32)cn1 630421638 SBWWMXRCLAKXSR-HNNXBMFYSA-N 376.434 2.636 0 40 GFAB COC[C@@]1(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)CCCN1 638465055 QIAQHVGUTLBWDH-OAQYLSRUSA-N 390.528 2.667 0 40 GFAB O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(Cl)ccc1-n1cncn1 648410363 RZOAUEJEZSKIJU-CRAIPNDOSA-N 383.839 2.966 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653534304 GMNDWUFAHGBAFG-FPMFFAJLSA-N 382.482 2.655 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NCCc3cccs3)C2)c1 575404490 NFSJKMHGQCMBHU-LJQANCHMSA-N 394.500 2.809 0 40 GFAB CC(C)[C@@H](C)N(C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C1CC1 55306252 WAPYOMJPNYGSTE-CYBMUJFWSA-N 378.494 2.889 0 40 GFAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(OC)c1 5482461 HKBSZUBAQVPMIG-IBGZPJMESA-N 397.431 2.979 0 40 GFAB O=C1S/C(=C/c2cccnc2)C(=O)N1CCNC(=O)C1(c2ccccc2)CC1 5932369 QWUGQHRAAGGFJT-GHRIWEEISA-N 393.468 2.966 0 40 GFAB COc1ccc([C@@H]2CCN(C(=O)Cc3cc(OC)ccc3OC)C[C@H]2O)cc1 12143293 IEOXLUMICNRRDP-VQTJNVASSA-N 385.460 2.632 0 40 GFAB COc1ccc(-c2nc(C)sc2CC(=O)N[C@H]2CCCOC2)cc1OC 12194531 KWSKGOZCRHKECD-AWEZNQCLSA-N 376.478 2.973 0 40 GFAB Cc1cc(S(=O)(=O)NCCC(C)C)c(C)n1S(=O)(=O)c1ccccc1 13586017 ZKFMTWJZNODDBP-UHFFFAOYSA-N 384.523 2.666 0 40 GFAB CC(C)[C@@H](CO)NC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 13731064 LELHIMOUSBROIX-LJQANCHMSA-N 381.428 2.972 0 40 GFAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)Cc2ccccc2F)CC1 19289056 SLODCLXFQMJTPG-UHFFFAOYSA-N 393.466 2.508 0 40 GFAB CC(C)CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19447195 OVIIRBADKTYCMM-LJQANCHMSA-N 384.528 2.726 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 19662803 DULKQKWKEOGEES-SFHVURJKSA-N 376.526 2.778 0 40 GFAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)C(=O)c3cnccn3)cc2)C1 19711960 BCXSFZKUGNTHGI-CTNGQTDRSA-N 396.491 2.837 0 40 GFAB Cc1cc(N2CCN(CCOc3ccc(F)cc3)CC2)cc([C@@H]2CCNC2)n1 19739022 MQOGEQIUTDRMFI-GOSISDBHSA-N 384.499 2.807 0 40 GFAB COc1cccc(CCNC(=O)CC2CCN(Cc3cn(C)nc3C)CC2)c1 19748399 ZINKFBKHUSKBRB-UHFFFAOYSA-N 384.524 2.698 0 40 GFAB O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccc(Cl)s1 225572880 GSZTWBZFFMIRHZ-LBPRGKRZSA-N 380.988 2.897 0 40 GFAB CCc1cc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)on1 12276643 YETNAMCOALJBCJ-UHFFFAOYSA-N 378.432 2.904 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1C 7056802 PJZHPWTZFJHMRY-UHFFFAOYSA-N 388.536 2.888 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](Cn1nccn1)c1ccccc1 240178511 YYCQCQUGSVOWLV-INIZCTEOSA-N 376.869 2.960 0 40 GFAB COCCn1ccc2c(OCC(=O)NCc3ccc(C)cc3)cccc2c1=O 4584320 RFFANVOEOPOLAR-UHFFFAOYSA-N 380.444 2.652 0 40 GFAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)Nc1ccccc1 12231052 WIRYGUVSNKVTPY-UHFFFAOYSA-N 382.391 2.697 0 40 GFAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)CCCC2)cc1 21691496 WYKJYUARRMHGBW-UHFFFAOYSA-N 396.443 2.991 0 40 GFAB CCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 22732672 FPNVLLYKQJHYHA-UHFFFAOYSA-N 383.467 2.573 0 40 GFAB CCOCC(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891153850 WBRLPYMHGYYDLR-UHFFFAOYSA-N 377.448 2.829 0 40 GFAB CCCOc1ccc(CNC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)cc1 35423727 QADHPOTWMUTYCI-UHFFFAOYSA-N 390.443 2.983 0 40 GFAB CCOc1cc(=O)c(C(=O)Nc2ccc3c(c2)OCO3)nn1-c1ccccc1 49407624 LTOGOHRVADIEIZ-UHFFFAOYSA-N 379.372 2.612 0 40 GFAB CN1c2cc(F)c(NC(=O)COc3ccc(Cl)cc3)cc2N(C)S1(=O)=O 575613385 RKUQQDXYOYEMFQ-UHFFFAOYSA-N 399.831 2.627 0 40 GFAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N2CCCC2)CC1 40049846 PEPYVZOCGILGAT-HNNXBMFYSA-N 391.466 2.732 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20130896 LKYSAUYVUVQAAC-WEVVVXLNSA-N 380.444 2.782 0 40 GFAB COc1cc([C@H]2CC(=O)NC3=NC(=O)N(c4ccccc4)[C@@H]32)cc(OC)c1OC 100251086 BDBILAUCZYGTAO-RDTXWAMCSA-N 395.415 2.723 0 40 GFAB CCOc1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 31201384 WJHYFZVBGOOLJY-UHFFFAOYSA-N 382.416 2.592 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)Cn1c(CC)nc2ccccc2c1=O 40478668 PAONPLSYTJYFAP-UHFFFAOYSA-N 379.416 2.774 0 40 GFAB C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccncc1 32841428 XGLJWIIEZPCUSZ-ZDUSSCGKSA-N 382.489 2.999 0 40 GFAB CCCCNC(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccccc1)C2 32810104 KLVSAXWFIYYAEW-UHFFFAOYSA-N 386.521 2.749 0 40 GFAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC)cc1 32904808 HXSNSOWLFYAYSI-UHFFFAOYSA-N 380.491 2.586 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 32995773 HYSXDVHRJOLNSW-LPHOPBHVSA-N 383.448 2.789 0 40 GFAB COc1ccccc1OCc1nnc(SCC(N)=O)n1CCc1ccccc1 933948 PEIYUOCVLIQCMF-UHFFFAOYSA-N 398.488 2.686 0 40 GFAB COc1cc(COC[C@@H](O)CN[C@@H](C)c2ccccc2)cc(OC)c1OC 2686924 WXONXIJDSQKEMJ-YJBOKZPZSA-N 375.465 2.941 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)OC)ccc21 4884445 MYNWTXUPXZKEMD-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1 6949129 PKLVAVYLEHVWPG-AWEZNQCLSA-N 383.857 2.737 0 40 GFAB C=CCOc1cc(Br)c(/C=C2/NC(=O)N(C)C2=O)cc1OCC 6958554 ZYNNNILQICIUDE-KPKJPENVSA-N 381.226 2.935 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 7323160 JUSFAHBFAMSKSK-UHFFFAOYSA-N 388.445 2.558 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 10314277 RKHGIFBMXHVKOR-UHFFFAOYSA-N 376.434 2.714 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2cccc(OC)c2)cc1 8291521 CGDDXIBHCNOKQZ-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB CN(Cc1cnn(C)c1)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 24471904 IWXRIJAZSUOGAC-UHFFFAOYSA-N 390.443 2.608 0 40 GFAB CC(=O)c1ccc(N2CCN(Cn3nc(C)c4ccccc4c3=O)CC2)c(F)c1 12588071 CVUDIPFOFWAWGF-UHFFFAOYSA-N 394.450 2.826 0 40 GFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 34870361 CRVVXJSTPUVRKA-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB CC(=O)N[C@@H](C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(C)C 72268461 DGGSYHPTTFXQKC-QGZVFWFLSA-N 399.472 2.856 0 40 GFAB O=C(C[C@@H]1C=CCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 25868982 XLAFQIHEALDQRJ-CYBMUJFWSA-N 384.885 2.656 0 40 GFAB O=[S@](O)[C@@H]1CC[C@H](SCC2=C(Br)N3C=CS[C@@H]3N2)C1 103529697 NISKMMUDNZQNJR-VAOFZXAKSA-N 383.358 2.833 0 40 GFAB Cc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)n1 47947374 SACFUFLBICKEOG-FQEVSTJZSA-N 394.450 2.803 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC(c1ccccc1)c1ccccc1 3350693 HMBKXFHKWIWZQL-UHFFFAOYSA-N 385.423 2.596 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3C)C2=O)cc1C 101169344 RCENVAMDHBFNCK-MOPGFXCFSA-N 391.431 2.544 0 40 GFAB Cc1cccc(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1C 102941580 KCNWPFOQXJHXCB-UHFFFAOYSA-N 378.409 2.708 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2F)cc1 3332893 CUXUEHAWUAODCD-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1F 58304377 HGEOSDUJCDHQKH-UHFFFAOYSA-N 392.452 2.646 0 40 GFAB O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cccc[n+]1[O-] 58366605 FBPRSQNYSNXVTM-GOSISDBHSA-N 376.391 2.980 0 40 GFAB COc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cn1 10991145 WLHHUPFNCDTVBX-CSKARUKUSA-N 379.460 2.658 0 40 GFAB Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3ccnn3C)c12 36618346 ULZCRXOWQNZFND-UHFFFAOYSA-N 377.360 2.913 0 40 GFAB COc1cccc([C@@H]2CN(S(=O)(=O)c3ccc(N(C)C)cc3)CCO2)c1 97117772 GVEFOZFXSCCRAC-IBGZPJMESA-N 376.478 2.523 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1F 12786656 ZCXDUAQTZBOHST-INIZCTEOSA-N 392.452 2.844 0 40 GFAB Cc1noc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n1 48368330 GIXXSACVOKTWSG-UHFFFAOYSA-N 376.467 2.688 0 40 GFAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCCc2ccccc21 12811215 HVMYMASHSQRBSK-WBVHZDCISA-N 396.443 2.539 0 40 GFAB CN(C[C@@H]1CCCN1C(=O)CCn1c(=O)n(C)c2ccccc21)c1ccccc1 62580316 BDADGQYFUJPDDL-IBGZPJMESA-N 392.503 2.858 0 40 GFAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)n1 12915160 YRJQRQUAMSJDTQ-UHFFFAOYSA-N 396.472 2.814 0 40 GFAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1 19357509 LLLCTSFSWDELQK-JTQLQIEISA-N 392.462 2.800 0 40 GFAB CN(Cc1ccccc1)C[C@H](CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O 71286271 OMZWWAKMAHITER-INIZCTEOSA-N 384.432 2.619 0 40 GFAB CCCCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 4251463 OHAGFVXUQHBIMY-CQSZACIVSA-N 381.480 2.564 0 40 GFAB COCc1nc(C(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)cs1 65041749 JDCMRWUHXWFFQN-UHFFFAOYSA-N 381.262 2.715 0 40 GFAB CCOc1ncccc1C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 9217133 WDTQJEDUXGQNGP-UHFFFAOYSA-N 378.406 2.676 0 40 GFAB COc1ccc(C2=NN(c3nc(C(=O)O)cs3)[C@@](O)(C(F)(F)F)C2)cc1 5244318 UPMXIGWXQKVXHL-AWEZNQCLSA-N 387.339 2.715 0 40 GFAB Cc1ccccc1-n1c(Sc2ccc3nnnn3n2)nc2ccccc2c1=O 14018871 AANYLGNFFWMCHR-UHFFFAOYSA-N 387.428 2.678 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1C(C)=O 6606784 ZLBKJCXIWCEGJA-UHFFFAOYSA-N 385.439 2.605 0 40 GFAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1NC(=O)c1ccccc1 9387387 BPQTZCUSECHMPH-UHFFFAOYSA-N 387.490 2.898 0 40 GFAB O=c1c(Cl)c(NCCN2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 15116949 XSHHXMLHAMFCHH-UHFFFAOYSA-N 387.793 2.807 0 40 GFAB COc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 6977323 LLNTXHSQNAYUFT-UHFFFAOYSA-N 379.460 2.784 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)nc1C 4998709 IMDXRKRGPSHEQS-ZDUSSCGKSA-N 387.461 2.928 0 40 GFAB CCc1ccc(CNC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 67197538 UTNALEXZOVONGF-UHFFFAOYSA-N 387.432 2.748 0 40 GFAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCCC(C)C)c(=O)c1CCO 67300503 UOGRJWJPBFMLBA-UHFFFAOYSA-N 391.899 2.569 0 40 GFAB COCCCNC(=O)CN1CCN(c2cc(C)c3cccc(C(C)C)c3n2)CC1 7735883 RYPZGNKZNSHOQM-UHFFFAOYSA-N 398.551 2.941 0 40 GFAB O=C(c1ccco1)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306125232 CJZCJVJSXLTPFK-SFHVURJKSA-N 375.388 2.598 0 40 GFAB Cc1cc(C(=O)COC(=O)Cn2c(C)csc2=O)c(C)n1Cc1ccco1 7985640 GDGOPVMCWVUYDB-UHFFFAOYSA-N 388.445 2.704 0 40 GFAB Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2c(F)cccc12 7953407 MRGRFNHXZYNDNQ-UHFFFAOYSA-N 376.409 2.500 0 40 GFAB O=c1cc(CN2CCN(c3ccccc3)CC2)nc2ccc(Br)cn12 8127921 OOGZBJZAGVWFOV-UHFFFAOYSA-N 399.292 2.779 0 40 GFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(OC)cc3OC)N2C1=O 16734987 UJWWRNFCTBSFNU-GOEBONIOSA-N 390.461 2.916 0 40 GFAB O=C(COc1cccc(F)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8290421 LMOYNIXAPCUPOY-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB O=c1[nH]c(CSc2nnnn2Cc2cccs2)nc2cc(Cl)ccc12 8307684 JOCFNFYSTHNIAT-UHFFFAOYSA-N 390.881 2.965 0 40 GFAB COc1ncncc1NC(=O)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 95461412 NXUUMGQTWRUINZ-CQSZACIVSA-N 376.844 2.981 0 40 GFAB COc1ccc(CCc2nc(NC(=O)c3cc(-c4ccco4)[nH]n3)n[nH]2)cc1 95475446 QNKSXCJRAQWOOI-UHFFFAOYSA-N 378.392 2.834 0 40 GFAB Cc1cccc(OS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1C 24842822 SHVJSWBOUZSEBL-UHFFFAOYSA-N 381.475 2.512 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20110747 VJTIAERMVFGLQM-UHFFFAOYSA-N 398.488 2.588 0 40 GFAB Cc1nn(C)c2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(C(C)C)nc12 28557703 IUIPCMUMQUICDN-UHFFFAOYSA-N 392.507 2.686 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccco2)N1CCCN1CCOCC1 20392728 SXRBURUDEIAGAE-LJQANCHMSA-N 394.427 2.654 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCC(=O)O)cc2)NC(=S)N1 408985773 NFKWPZGQDZVPDG-SFHVURJKSA-N 397.456 2.582 0 40 GFAB Cc1cc(NC(=O)CCN2CCN(Cc3ccc(F)cc3Cl)CC2)no1 30154911 XAUZXZGRWLERGL-UHFFFAOYSA-N 380.851 2.922 0 40 GFAB Cc1c(-c2cc(-c3cnn(C)c3C)n(CC(=O)NC3CCCCC3)n2)cnn1C 36611580 HVUWCEUPPCUONK-UHFFFAOYSA-N 395.511 2.750 0 40 GFAB Cc1nc(COc2ccccc2C(=O)NC[Si](C)(C)c2ccccc2)no1 195565246 YGMWSNCQYUBXBW-UHFFFAOYSA-N 381.508 2.842 0 40 GFAB COCc1nn2c(=O)cc(COC(=O)c3ccc(C(C)(C)C)cc3)nc2s1 41077317 YFFZSDPEXMUVIX-UHFFFAOYSA-N 387.461 2.952 0 40 GFAB C[C@H](C(=O)NCCSc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220297417 FQMKAVBHEMPSHB-CQSZACIVSA-N 396.509 2.889 0 40 GFAB CS(=O)(=O)c1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 49169724 NNPQTQRVOKVSIX-INIZCTEOSA-N 384.461 2.525 0 40 GFAB biogenic,in-vitro COc1ccc(F)cc1S(=O)(=O)NC[C@@](O)(c1ccco1)c1cccs1 225589600 XKQOKHOOOQFZBU-QGZVFWFLSA-N 397.449 2.703 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccccc1C)S(C)(=O)=O 220331796 OXRRHDZNRLSXGV-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1coc(NC(=O)c2cnccn2)n1 77196573 YJUVYQBTMCXMKN-UHFFFAOYSA-N 393.281 2.868 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc(C)c1 96520182 WFPSLFXQLWYNIQ-GHMZBOCLSA-N 388.654 2.791 0 40 GFAB COc1cccc(-c2nc3c(s2)N(C(C)C)[C@@H](C(=O)NCCN(C)C)C3)c1 96264492 MQPZZFFLOOXGST-QGZVFWFLSA-N 388.537 2.636 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257274283 NKJCRDOTCLGDFY-INIZCTEOSA-N 398.394 2.973 0 40 GFAB COC(=O)C[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 253570143 NFQOYGSKVUFULD-AWWSKVOZSA-N 392.455 2.767 0 40 GFAB Cc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257285754 PIQMRQVHGOQWFH-SFHLNBCPSA-N 381.480 2.544 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 260565780 USSFLBGSIOIAQV-QGZVFWFLSA-N 392.452 2.560 0 40 GFAB COC(=O)[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccn1 610256751 IAPIZJYONJYLAT-NRFANRHFSA-N 380.444 2.954 0 40 GFAB CCc1c(NC(=O)[C@H](C)n2cnc3c(N)ncnc32)cnn1-c1cccc(C)c1 613941412 HZJJEQBCJKLZPU-ZDUSSCGKSA-N 390.451 2.665 0 40 GFAB CN(Cc1oc(-c2ccccc2)nc1C(=O)O)[C@H]1CCCC[C@H]1S(C)(=O)=O 652426019 BJMUKKLEMVSCGL-GOEBONIOSA-N 392.477 2.827 0 40 GFAB C[C@@H](NC(=O)Cn1cnc2c1CCNC21CCOCC1)c1ccc(Cl)cc1 1615587945 APSSSYCWTZMOIO-CQSZACIVSA-N 388.899 2.565 0 40 GFAB O=C(CCC(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1)c1ccccc1 96104137 XEUSNPLWDUZVLL-UHFFFAOYSA-N 389.473 2.849 0 40 GFAB C[C@]1(O)CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1Oc1cccc(F)c1 585262244 SEXMVORNLPPWSY-PMACEKPBSA-N 393.480 2.634 0 40 GFAB CCN1C(=O)C[C@H](C(=O)Nc2cccc(-c3cnco3)c2)[C@H]1c1cnn(C)c1C 585101380 FGVOLJLCPAKWDA-JXFKEZNVSA-N 393.447 2.932 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 46053179 VBPKFVUVZJIIPT-UHFFFAOYSA-N 399.925 2.608 0 40 GFAB COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)C3CCOCC3)c2C)c1 95998540 VWRWYELHDSRDGH-HXUWFJFHSA-N 399.491 2.824 0 40 GFAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4ccnc(N)n4)C3)cs2)n1C 671825576 LHCPTOLYMPWRBY-CYBMUJFWSA-N 382.493 2.849 0 40 GFAB COc1c2c(c(Br)c3c1[C@H](CC(=O)NC(C)C)N(C)CC3)OCO2 1547139737 ZDUGEWSREBHWKP-NSHDSACASA-N 399.285 2.630 0 40 GFAB biogenic CSc1nnc([C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)CCC4)C2)n1C 5001497 KPRMKXZLYFOCRL-MRXNPFEDSA-N 385.537 2.844 0 40 GFAB COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)CCc4c(C)noc4C)C[C@@H]32)c1 12121135 BUYYAAHSJVTPCH-BUVFEPMLSA-N 384.476 2.989 0 40 GFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 13100777 MAKACHCUTMMGQU-CQSZACIVSA-N 383.901 2.715 0 40 GFAB Cc1cccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccco2)c1 13856433 YHVQUFHTUQQOGA-BZSNNMDCSA-N 395.459 2.869 0 40 GFAB COc1ccccc1CN1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 19018898 LJJYLDMBAUJXDH-UHFFFAOYSA-N 380.492 2.769 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 19020335 QVGWDSBLNPAZPT-OXJNMPFZSA-N 381.432 2.540 0 40 GFAB CCN1CCN([C@H](c2ccccc2F)c2nnnn2CCc2ccccc2)CC1 19528085 OINVIKLRPJPNGQ-OAQYLSRUSA-N 394.498 2.782 0 40 GFAB Cc1nn(C)cc1-c1csc(NC(=O)CCn2cnc3ccccc3c2=O)n1 19661787 HHMCBISMASPZRN-UHFFFAOYSA-N 394.460 2.591 0 40 GFAB CCS(=O)(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CC1)CCC2 19706864 KAKZOQCSZSAPCT-KRWDZBQOSA-N 378.542 2.824 0 40 GFAB C[C@@H](NC(=O)CC1CCN(C(=O)CN2CCCCCC2=O)CC1)c1ccccc1 19748550 IPRRKCMUHGEANW-GOSISDBHSA-N 399.535 2.895 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 19796064 JZUTXVTYJDCMDU-RTBURBONSA-N 383.400 2.873 0 40 GFAB biogenic,in-vitro O=C1NCC2(CCC(C(=O)N[C@@H]3CCCOC3)CC2)Oc2ccc(Cl)cc21 12087245 QGLLBTIQOLVKNB-KLSXAPCHSA-N 392.883 2.686 0 40 GFAB CC(C)N1C[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1=O 12087821 XMVDTQDAJYLOSB-KRWDZBQOSA-N 380.492 2.780 0 40 GFAB NC(=O)CNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231704 GSLYGAILOIJDPK-UHFFFAOYSA-N 388.414 2.573 0 40 GFAB Cc1ccc2c(c1)CN(C(=O)c1c(C)cc(C)[nH]c1=O)CC1(CCN(C)CC1)O2 12365220 YLCUKGOLPVZKFL-UHFFFAOYSA-N 395.503 2.799 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](n4cc(C5CC5)nn4)C3)CC2=O)cc1C 244986240 JMFIWFLORZJTAZ-PKOBYXMFSA-N 393.491 2.599 0 40 GFAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)NC1CCCCCC1 16851206 TYWIJMLAJMYHPO-UHFFFAOYSA-N 388.493 2.855 0 40 GFAB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 5927811 BHSVNQZGRLEXJO-NSHDSACASA-N 390.490 2.638 0 40 GFAB COc1ccccc1S(=O)(=O)N1C[C@@H](c2nc(C)no2)[C@H](c2ccccc2)C1 238924168 UMCXUMIOMNUZSP-DLBZAZTESA-N 399.472 2.959 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1 1565549502 YHKOHHBRWOUYOM-IBGZPJMESA-N 388.493 2.768 0 40 GFAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(Cl)cc1 2952326 WEUPERNMVYPAHC-UHFFFAOYSA-N 385.851 2.830 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)cn1 2055819432 QEEPKWHWTRDKLU-UHFFFAOYSA-N 378.476 2.891 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccccc1 22506159 VLNAZBLLKBLJSL-UHFFFAOYSA-N 375.450 2.557 0 40 GFAB CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 43955793 JTWDTGBGRUZNDR-UHFFFAOYSA-N 387.933 2.838 0 40 GFAB COCCOCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 49028950 RDMJOFCLWLKKGM-UHFFFAOYSA-N 381.416 2.769 0 40 GFAB O=c1n(Cc2nc(-c3ccc(F)cc3)no2)nc2ccc(-c3ccccc3)nn12 49399468 DIHQAXOYXPUPAX-UHFFFAOYSA-N 388.362 2.795 0 40 GFAB Cc1cc(C)nc(Nc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)n1 49029470 VGSSPHGTWNWJHV-UHFFFAOYSA-N 397.460 2.881 0 40 GFAB COC(=O)c1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1C 30148186 WKCZDTMKDCWBQS-UHFFFAOYSA-N 393.443 2.881 0 40 GFAB CN(C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1)C1CCCCC1 40120467 GGTURNQRSSQCQZ-UHFFFAOYSA-N 385.552 2.991 0 40 GFAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)no1 31658235 RWMZIDMDCISOPL-LBPRGKRZSA-N 392.253 2.757 0 40 GFAB CCCN1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441773 IQXJVRJAURXOOR-OALUTQOASA-N 399.988 2.957 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32094800 TZZKLLWBSIXMSZ-GFCCVEGCSA-N 390.369 2.998 0 40 GFAB CS(=O)(=O)Cc1cccc(C(=O)NCCNc2nc3ccccc3s2)c1 32828055 FUOCJLNLKODZPS-UHFFFAOYSA-N 389.502 2.683 0 40 GFAB CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)CC)cc1 2652579 OPMGULHWNHTUCM-LJQANCHMSA-N 388.489 2.800 0 40 GFAB C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 902297 NSUPOSXSXVIISN-QGZVFWFLSA-N 393.553 2.922 0 40 GFAB Nc1c(C(=O)NC[C@@H]2CCCO2)sc2nc3cc4c(cc3cc12)OCCO4 4848858 LSVVJOPFGAVROE-NSHDSACASA-N 385.445 2.712 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2)CC1 22773282 NJOPWHRKIKWXTR-SFHVURJKSA-N 392.503 2.568 0 40 GFAB CC(=O)O[C@@H]1O[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4899989 HOKIFLYHNPKFGY-ILLDPMRGSA-N 384.384 2.746 0 40 GFAB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1OC 12197244 NOYYYJKJECIXSD-QGZVFWFLSA-N 398.459 2.999 0 40 GFAB biogenic C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 7232386 WVDIUCIKTINJFY-GDBMZVCRSA-N 384.407 2.917 0 40 GFAB CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 52842065 HIYTVJYIPXABKB-OAHLLOKOSA-N 392.459 2.734 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccsc2c1=O 57425740 FKVOXZIZFQKRBI-UHFFFAOYSA-N 393.465 2.974 0 40 GFAB CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1 854166 XJYPMNKKSNTOIL-UHFFFAOYSA-N 394.522 2.918 0 40 GFAB CN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc3c(c2)OCO3)=N1 57401840 AREBZFCDSSVGRP-UHFFFAOYSA-N 398.444 2.781 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCSc2ccc(F)cc21 10965340 ZBSXLFCZMVZLAB-AWEZNQCLSA-N 388.420 2.638 0 40 GFAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1ccccc1Cl 8732505 LXQIZMGNPSCUMQ-LBPRGKRZSA-N 388.807 2.795 0 40 GFAB O=C(CN1CCSc2ccccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 23707259 RTOGBLGUOFRFCZ-INIZCTEOSA-N 394.562 2.557 0 40 GFAB CCc1ccc(C(=O)N2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)cc1 24621004 IULVOGMBMADHBY-UHFFFAOYSA-N 389.455 2.689 0 40 GFAB COC(=O)[C@@H]1SC[C@@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)c(Cl)c1 1397734 PEHRYNCHMWUNMS-QWRGUYRKSA-N 393.248 2.615 0 40 GFAB Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1 72301821 NRAPXFVQYSDDKY-HNNXBMFYSA-N 382.399 2.980 0 40 GFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)/C=C/c2ccccc2)c1 57312856 BOCUYFIDFHVUQQ-DHZHZOJOSA-N 379.460 2.877 0 40 GFAB COc1ccc(CCNC(=O)CN2CCN(c3ccccc3Cl)CC2)cc1 57364019 CGDMYYHDMHYJCU-UHFFFAOYSA-N 387.911 2.830 0 40 GFAB COc1cc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 3289429 DZNXABLWCCAONI-UHFFFAOYSA-N 386.448 2.730 0 40 GFAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1CCN(CC(F)(F)F)C1 57995192 KBEHLFOPQVPXOI-UKRRQHHQSA-N 388.409 2.588 0 40 GFAB O=C(Cn1cc(NC(=O)Nc2ccc(F)cc2Br)cn1)NC1CC1 58030959 AMRSNFDTSZRRIE-UHFFFAOYSA-N 396.220 2.707 0 40 GFAB COCCn1ccc2cc(C(=O)NCCCc3nnc4ccccn34)ccc21 95479796 DSEPBNJBIXSGKE-UHFFFAOYSA-N 377.448 2.693 0 40 GFAB CCC[C@H](C)NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063984 SJOVEGQEMQXOHS-NSHDSACASA-N 382.482 2.519 0 40 GFAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C12CC3CC(CC(C3)C1)C2 48230148 RSTNJFYLAMJHRS-XUXNNNHQSA-N 380.510 2.865 0 40 GFAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 3329977 HPASHMAKSUPJQU-JOCHJYFZSA-N 385.508 2.607 0 40 GFAB O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCSCC1 58366766 NFSVBOHDUDUPQT-UHFFFAOYSA-N 396.465 2.878 0 40 GFAB O=C(CCN1C(=O)CCC1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12794513 OIHLHUOPTQTHBD-OXMBAJLKSA-N 388.467 2.939 0 40 GFAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCNC(=O)C1CC1 103540052 NZFQEXZWVSZESM-LGBHXNNWSA-N 383.330 2.753 0 40 GFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)N(C)C1CCCCC1 48309173 QXFYNTMTYVAXOB-CQSZACIVSA-N 388.555 2.592 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)cc1 12848977 KCCZSFUIKQJPKP-SFHVURJKSA-N 398.459 2.964 0 40 GFAB O=c1cc(CSc2nnnn2-c2ccc(Cl)cc2)nc2sccn12 3492913 WPYDOQJWYHNUNK-UHFFFAOYSA-N 376.854 2.677 0 40 GFAB COc1cccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c1 3452002 WXOOGZRIFUMBOJ-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB Cc1nc(COc2ccc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc2)no1 12973280 YFESMBLSNSPATQ-NSHDSACASA-N 394.387 2.929 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 13847273 WQWJNNVVXRIISA-AWEZNQCLSA-N 396.459 2.868 0 40 GFAB Cc1ncsc1CN1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 306132734 LQORPFSXRMOYIO-CABCVRRESA-N 394.504 2.600 0 40 GFAB CCOc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1 113946220 CZZODJLJJCHNAK-GOSISDBHSA-N 390.461 2.641 0 40 GFAB CCCCOc1ccc(C(=O)NO[C@H](C)C(=O)NCC(F)(F)F)cc1OC 14016957 NYUYWGFOHYDCRA-LLVKDONJSA-N 392.374 2.603 0 40 GFAB COc1cc2c(cc1OC)CN(Cc1nc(N)nc(Nc3ccccc3)n1)CC2 5350781 FVWXQZXANTYTAQ-UHFFFAOYSA-N 392.463 2.773 0 40 GFAB CC(=O)N[C@H]1C(=O)N(Cc2cc3c(cc2Cl)OCO3)c2ccc(F)cc21 6662494 PQJNPPZJDXVWGP-QGZVFWFLSA-N 376.771 2.932 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 6847013 FMUKEOMIQAJECF-LBPRGKRZSA-N 382.869 2.996 0 40 GFAB CN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(Br)cc1 6910328 HZVOEODGWVMOCQ-UHFFFAOYSA-N 391.265 2.926 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccccc1F 5938933 ASDWLZGTRRWAHR-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCCCC4)ncn3n2)cc1 67208693 UPGSDJKZTUBRHT-UHFFFAOYSA-N 379.464 2.569 0 40 GFAB O=C(COc1ccc(Cl)cc1Br)NCc1nnc2ccccn12 7898709 KPHJWFODVJDYMF-UHFFFAOYSA-N 395.644 2.840 0 40 GFAB CCCCN(C)C(=O)C1CCN(c2ccc(-c3nc(CC)cc(=O)[nH]3)cn2)CC1 68668740 MNZKWKVIPORDBA-UHFFFAOYSA-N 397.523 2.869 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cccnc34)CC2)cc1 8073883 GGQWLSAGWASUJO-UHFFFAOYSA-N 395.484 2.690 0 40 GFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NC(=O)NC1CCCCC1 8318428 ILMMIKJZGYMFAW-QGZVFWFLSA-N 387.480 2.753 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1nc(C)c(C)s1 8744643 WRQAJOXZNCVDJN-UHFFFAOYSA-N 396.900 2.931 0 40 GFAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3oc4ccccc4c3c2)CC1 8718127 UJMXFTOHQGAWRW-UHFFFAOYSA-N 393.443 2.995 0 40 GFAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 84718650 ORFLIAGRMRDCMA-IBGZPJMESA-N 385.508 2.507 0 40 GFAB CC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 95982764 ZCJIZNZMPODYRN-HNNXBMFYSA-N 395.573 2.864 0 40 GFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 53684044 SHIBSTMRCDJXLN-VXSBHOQESA-N 390.520 2.575 0 40 GFAB biogenic,in-vivo CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408609723 RSYVOEHXOZQEEX-UHFFFAOYSA-N 382.526 2.648 0 40 GFAB CCOc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC1 408698659 QZMBRYLTQQAUPE-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB CN(C)C(=O)C[C@H]1CN(CC2(CS(C)(=O)=O)CC2)c2ccc(Cl)cc21 503081479 QJZXJXQWXYNDAD-ZDUSSCGKSA-N 384.929 2.547 0 40 GFAB Cc1nc(Cn2cc(C(=O)N3CCCc4c3cccc4C(F)(F)F)nn2)no1 518761707 DTRCXZWPOCSONR-UHFFFAOYSA-N 392.341 2.630 0 40 GFAB COC(=O)C[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 216598299 NFQOYGSKVUFULD-ISHFTEKXSA-N 392.455 2.767 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 408555772 GEWCXFJVPLGFCX-UHFFFAOYSA-N 392.477 2.652 0 40 GFAB CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)N1CCC(Cc2ccccc2)CC1 538514277 UHAMEJSFDMTPBB-UHFFFAOYSA-N 397.563 2.801 0 40 GFAB Cc1cccc(CN2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1 72390407 NMLOGSWLXNZHDC-UHFFFAOYSA-N 377.485 2.734 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(Cl)c4)C[C@H]32)c(OC)n1 72392587 HKHGAQLKFOXYMO-JNAXZKDPSA-N 389.883 2.877 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 224039852 ULHKPYRVNRTXKT-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(C(F)(F)F)n1 225902242 XRYCLYFJCFWREQ-UHFFFAOYSA-N 377.436 2.809 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238849251 JBLBOZJIXQLVRW-SECBINFHSA-N 379.335 2.714 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)CCn1cnc3ccccc3c1=O)CC2 583652697 XQGUJJNIAARFMV-GOSISDBHSA-N 393.443 2.608 0 40 GFAB C[C@@H]1CCCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)C1 248006121 CFECCYGMHUMAFX-QRWLVFNGSA-N 393.491 2.630 0 40 GFAB NC(=O)c1cc(O[C@H]2CCN(C(=O)c3csc(-c4ccccc4)n3)C2)ccn1 253472824 PRTMPJXVOCHYCT-HNNXBMFYSA-N 394.456 2.598 0 40 GFAB COc1cc(CCC(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc(OC)c1 24702531 VRBBVVAGLUQYBW-UHFFFAOYSA-N 397.475 2.909 0 40 GFAB O=C(NCCn1nnn(-c2cccs2)c1=O)C1(c2ccccc2)CCCCC1 257267902 MJJMGDBTOHQSKN-UHFFFAOYSA-N 397.504 2.509 0 40 GFAB O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2ncnn12 541567232 FVWWNTIVJDEWOU-UHFFFAOYSA-N 386.337 2.864 0 40 GFAB O=C(NCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)C1CCCCC1 588230131 VSHKRCKRWIRXAZ-UHFFFAOYSA-N 397.479 2.534 0 40 GFAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cnc(O)c2ccccc12 1634707767 CBBOKRAVHJVWGR-JTQLQIEISA-N 391.353 2.587 0 40 GFAB CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCC(C)(C)CC(C)(C)C1)C2 664884161 VWYGMZOMYFAXJC-ROUUACIJSA-N 392.588 2.928 0 40 GFAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097228 GRAVORDUHZMYAF-OAHLLOKOSA-N 389.459 2.522 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3S(C)(=O)=O)CC2)c1 585113227 MVOKBHSTDCNQCD-IBGZPJMESA-N 378.538 2.970 0 40 GFAB O=C1OC2(CCN(Cc3nccs3)CC2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162502 RDAZDZUCXWYMIM-SFHVURJKSA-N 398.532 2.814 0 40 GFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 7071059 KPTMOQXZJUXKMS-ZECSTPGPSA-N 377.418 2.851 0 40 GFAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)c1 5346090 ILONLGWGXYZRCO-UHFFFAOYSA-N 384.413 2.937 0 40 GFAB Cc1nn(CC(=O)N(Cc2ccccn2)C2CC2)c(=O)c2cc3sccc3n12 12088518 PENXCPGRGNUMJO-UHFFFAOYSA-N 393.472 2.605 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccc4c(c3)CCC4)n2)c(C)o1 12146790 DGQSFBGKEJQUNA-UHFFFAOYSA-N 378.432 2.830 0 40 GFAB CCOCc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)ccc1OC 12147613 CUTVSSYHTUOOGY-QIDMFYOTSA-N 385.508 2.980 0 40 GFAB O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1c(F)cccc1F 12290870 GGINQVHYCFBOSJ-UHFFFAOYSA-N 378.394 2.817 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1Cl 13019618 KMSVFOVVAZTWFL-HNNXBMFYSA-N 388.807 2.705 0 40 GFAB O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccc(F)cc1 13453941 AMVSBTFYVXYVIG-UHFFFAOYSA-N 385.420 2.936 0 40 GFAB COc1cc2nc(NN)n(-c3cc(Cl)cc(Cl)c3)c(=O)c2cc1OC 15424603 TXEJMAHAZUFYJH-UHFFFAOYSA-N 381.219 2.995 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4ccccc4F)[C@H]3C2)cc1 19211864 BYKXEFIIFBXBAU-LJHODMEESA-N 388.464 2.573 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c2ncccc2c1 19655994 WBXBPSCKPDXTRP-CYBMUJFWSA-N 395.440 2.715 0 40 GFAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc(-n3cnnn3)cc1)cn2C 19662176 JDIKEIBMLWPQEH-AWEZNQCLSA-N 390.447 2.524 0 40 GFAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1 19716900 DYYAVVCDBLIRRT-MRXNPFEDSA-N 390.509 2.793 0 40 GFAB Cn1cnc2cc(C(=O)Nc3cnn(CC(=O)Nc4ccc(F)cc4)c3)ccc21 19746094 XDSPGPMBCBBIFB-UHFFFAOYSA-N 392.394 2.800 0 40 GFAB CCOc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)cc1OC 19533717 ZVYZGMKMLMCJDN-QGZVFWFLSA-N 398.507 2.767 0 40 GFAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3)C2=O)cc1 5798012 ODGIMKRZRHUARJ-HSZRJFAPSA-N 393.487 2.936 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(C(C)=O)cc1 7734896 HKAWNFLQSDAQNJ-FQEVSTJZSA-N 383.444 2.949 0 40 GFAB COc1ncccc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037988695 FDTWKLIOLSQPGH-NRFANRHFSA-N 385.439 2.627 0 40 GFAB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(C(C)=O)=NN2c1ccc(Cl)cc1 100072875 OKRXCIMJRILWME-WMZOPIPTSA-N 397.818 2.672 0 40 GFAB COc1ncccc1C(=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087139732 WJPBUKLRXPOSDK-WFASDCNBSA-N 392.381 2.855 0 40 GFAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccccc1C(F)(F)F 4499748 YSEGFESIINLDTA-UHFFFAOYSA-N 380.351 2.839 0 40 GFAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccc(Cl)c1 8954930 IXDMYVFGHYWOOI-UHFFFAOYSA-N 395.893 2.604 0 40 GFAB COc1cccc(-n2nnc3c(SCC(=O)NC4CCCCC4)ncnc32)c1 11758644 ZJETYXBXXMPJHI-UHFFFAOYSA-N 398.492 2.760 0 40 GFAB COc1cccc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H]2Cc2ccncc2)c1 2055714720 NQXQCXNOCSEQTQ-PKTZIBPZSA-N 380.536 2.523 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cc(-c2cccnc2)cn1 585148403 YFXYKMKIFVPRNG-UHFFFAOYSA-N 390.422 2.915 0 40 GFAB O=C(c1ccc2ccccc2n1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 585501506 HFBYKDXMCONPRY-UHFFFAOYSA-N 388.471 2.833 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 225712342 AWIIOIQATUDERE-GOSISDBHSA-N 399.871 2.990 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 40478707 KYBMUKUVGOCYPN-UHFFFAOYSA-N 397.431 2.623 0 40 GFAB Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCCN3CCOCC3)c2c1 20407719 NCPMJNCBYQMLSM-UHFFFAOYSA-N 376.460 2.667 0 40 GFAB COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1 20763288 ZHDZNVSTKXZYNA-GOSISDBHSA-N 377.404 2.771 0 40 GFAB biogenic C[C@@H](Sc1nnc2ccccn12)C(=O)N1CCN(Cc2ccccc2)CC1 20980164 DMTPAPSODBIFCK-MRXNPFEDSA-N 381.505 2.554 0 40 GFAB CSc1ncccc1C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 32778257 YPVXEOFEELYJSI-UHFFFAOYSA-N 395.488 2.812 0 40 GFAB O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1cnn(-c2ccccc2Cl)c1 78820758 XAMUTEDZLTXJHC-HNNXBMFYSA-N 387.848 2.784 0 40 GFAB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1 79112441 LRGDBAWZDXLYOB-GOSISDBHSA-N 385.489 2.767 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)s1 4130245 LIBWGMPCSKLSMZ-UHFFFAOYSA-N 394.457 2.966 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 640040 XTCGHODADVWNMJ-CYBMUJFWSA-N 389.477 2.974 0 40 GFAB COC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccccc3)cc(=O)n12 624465 HVBOWDSPKSXFFM-UHFFFAOYSA-N 380.791 2.987 0 40 GFAB C[S@@](=O)Cc1cccc(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 60936890 LMIXMHWOLNOWHL-RXBISOJRSA-N 391.411 2.523 0 40 GFAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 6531616 WIEGZQBLYHZQQH-UHFFFAOYSA-N 399.451 2.680 0 40 GFAB CCC[C@H](C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 6946655 NHIWMCXFXIYISU-NSHDSACASA-N 377.304 2.520 0 40 GFAB Cc1nn(C(C)(C)C)c(C)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 46917670 QTWOHWBZHPCHTA-LJQANCHMSA-N 384.524 2.886 0 40 GFAB CCn1nnc2cc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)ccc21 23151388 ZTDTVGVRVXQPBH-GOSISDBHSA-N 379.420 2.821 0 40 GFAB Cc1c(Br)c2ccccc2n1CC(=O)NCCCN1CCOCC1 47302445 GZMNUXRIRNOHME-UHFFFAOYSA-N 394.313 2.551 0 40 GFAB CN(C)CCCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 3041283 SZYJBOQAJZUYEE-UHFFFAOYSA-N 382.291 2.885 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@@H]1Cc3ccccc3C(=O)O1)O[C@H](C)C2 9054154 FPMMVHZGIGGETH-XCLFUZPHSA-N 381.428 2.807 0 40 GFAB CC(C)CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 12592459 KFCPTLNGGUJEEC-XGACYXMMSA-N 399.896 2.754 0 40 GFAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O 12522869 ZYAMCIUKPCYCLB-OYHNWAKOSA-N 377.444 2.876 0 40 GFAB Cc1ccc(S(=O)(=O)CC(=O)CC(=O)C(=O)Nc2cc(C)ccc2C)cc1 104273445 BYTLDGIGKNSJHM-UHFFFAOYSA-N 387.457 2.553 0 40 GFAB CCOc1ncccc1C(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C 12547349 WIURQUHUPUOYGW-SFHVURJKSA-N 396.447 2.750 0 40 GFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC(F)F)c(OC)c1 1460571 MAMOUINQFDYYCP-AWEZNQCLSA-N 380.351 2.740 0 40 GFAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N[C@@H]1CCCCNC1=O 95365112 DHDKCMAFOHAMAW-ZWKOTPCHSA-N 375.469 2.563 0 40 GFAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCc3ccccc3Cl)C2=O)cc1 1407422 VFEAXASGZRQNIU-SFQUDFHCSA-N 399.834 2.995 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1Cc1ccccc1 25359704 YCXULDUFNPMAJQ-IBGZPJMESA-N 395.503 2.611 0 40 GFAB Cc1cccc(C)c1NC(=O)COc1cccc([C@H]2CC(=O)Nc3ncnn32)c1 105941698 COLDNTZSKPUXQH-QGZVFWFLSA-N 391.431 2.844 0 40 GFAB CCOC(=O)c1sc2nc(Cc3nc4ccccc4n3C)[nH]c(=O)c2c1C 12582289 GOTAORHQYCIFHU-UHFFFAOYSA-N 382.445 2.947 0 40 GFAB COc1ccc(Cl)cc1CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25818883 UBEFHTUTJPIYCY-OAHLLOKOSA-N 397.880 2.700 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC(C(N)=O)CC1 57466875 ZPHWRWLZWNZBDL-HXUWFJFHSA-N 381.476 2.881 0 40 GFAB COc1cccc([C@@H](C)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 108455681 BZHZTMHKFVBXPI-QMMLZNLJSA-N 379.504 2.945 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1N 3250081 AGEUJGNHTLSEQO-CHWSQXEVSA-N 375.498 2.549 0 40 GFAB CS(=O)(=O)CCNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 58224544 GTQNOBODKDXFJN-CQSZACIVSA-N 389.315 2.634 0 40 GFAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 58209548 PAWZAFOTUXZRAP-XHDPSFHLSA-N 376.407 2.619 0 40 GFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c12 101552663 WDIBGRGANOGQPC-GJZGRUSLSA-N 379.464 2.892 0 40 GFAB CC[C@@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399737 YBPGLWHWHWZEQX-CQSZACIVSA-N 385.555 2.653 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](C)n2nc(C)cc2C)cc1 36614990 GPQJMWQDNCKEIA-ZDUSSCGKSA-N 380.470 2.608 0 40 GFAB CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccccc1 20105662 OFVHINBZDIQJFY-KRWDZBQOSA-N 393.484 2.706 0 40 GFAB Cc1cc(C(=O)COc2ccc(C=O)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 36849617 LSWBBTFICOPDHC-INIZCTEOSA-N 375.446 2.539 0 40 GFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1SC(F)F 12888451 JOXQYGOIROEOCY-UHFFFAOYSA-N 395.431 2.991 0 40 GFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2c(F)cccc2F)c1OC 12806027 IHBSICVSMUETAT-VOTSOKGWSA-N 399.371 2.881 0 40 GFAB O=C(CN1CC=C(c2ccccc2)CC1)NCC1(N2CCOCC2)CCCCC1 9884396 AEJSQBNMGLQPBJ-UHFFFAOYSA-N 397.563 2.927 0 40 GFAB CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1 3417016 SSTSFDGJELMDQK-UHFFFAOYSA-N 379.435 2.899 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4)nc3)CC2=O)c1 12986561 UUJGPTGYPVFFBJ-HNNXBMFYSA-N 380.448 2.682 0 40 GFAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2CC(=O)OC)n1 13023690 JLHQYWOCEUUTMX-LLVKDONJSA-N 388.449 2.758 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1nccnc1C(=O)O 71288794 SXEHWIOIUYFLQB-UHFFFAOYSA-N 385.811 2.942 0 40 GFAB COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 9236430 VMFPANLEKBVJOC-SJORKVTESA-N 381.461 2.993 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)Nc3ccc(Cl)cc3)no2)cn1 96001737 BIEWJRKRTGVERR-CQSZACIVSA-N 388.815 2.729 0 40 GFAB COC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 14020010 LHJRUULMCGADAQ-GFCCVEGCSA-N 389.502 2.690 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(C(C)=O)cc1 14141854 BAOATZGIFYEFMG-UHFFFAOYSA-N 385.439 2.605 0 40 GFAB O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2c1OCCO2 65647579 ZJZYJPVMLKDPKS-UHFFFAOYSA-N 387.335 2.595 0 40 GFAB COc1cc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc(Cl)c1OCC(N)=O 65813858 HGYBKEVKDIADKA-DOOHLRMFSA-N 392.883 2.863 0 40 GFAB O=C([C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccccc1)N1CCCC1 5505432 OKVNNXLOPKVJDA-QGZVFWFLSA-N 381.461 2.824 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(N)nc(C3CCC3)n2)c1C 6604080 CNOZNLGIKSYCRR-SNVBAGLBSA-N 389.481 2.816 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)o1 6653684 WKFNIVDASJHDOF-LBPRGKRZSA-N 395.444 2.988 0 40 GFAB COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 4735525 IVTYBCKFAVDXRZ-OAQYLSRUSA-N 377.444 2.784 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 4863407 BJIOUPATLLMXLJ-ZJJGVRJWSA-N 392.521 2.510 0 40 GFAB CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1 7808519 YCBRIWDLTQAJFI-SFHVURJKSA-N 376.416 2.672 0 40 GFAB CN1CCN(c2ccc(NC(=O)CCNC(=O)Nc3ccccc3)cc2)CC1 8163433 MMVDKYJMSIDFFI-UHFFFAOYSA-N 381.480 2.589 0 40 GFAB Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCCO2)S(C)(=O)=O 8729171 QZUXNLCPIJWAGS-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB CC(C)COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 8776020 NCVQEEAHJRHIOC-UHFFFAOYSA-N 383.404 2.687 0 40 GFAB C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 8777335 RTPWCGBKSYUQNX-KSSFIOAISA-N 384.501 2.704 0 40 GFAB COc1ccc([C@H](O)CNC(=O)Nc2ccc(OC)nc2Br)cc1 83937972 WXAKMNKOEHMSEJ-CYBMUJFWSA-N 396.241 2.716 0 40 GFAB COc1ccc2nnc(CCCC(=O)Nc3nc(-c4ccccn4)cs3)n2n1 72402861 IJBYQIULHHMYFM-UHFFFAOYSA-N 395.448 2.613 0 40 GFAB COc1ccc(CN2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 306129219 HXUHJPOHYJCNCI-HSZRJFAPSA-N 388.471 2.861 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)c1 408551699 IGXBVDCJQVUMCU-UHFFFAOYSA-N 379.338 2.707 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20022683 SIORKNNYGAJFCD-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409198250 AWEREBRVDCOWCD-UHFFFAOYSA-N 392.477 2.647 0 40 GFAB CC1(C)CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)CC[S@]1=O 515607015 JIVPEMCYIFKXMZ-AREMUKBSSA-N 397.972 2.641 0 40 GFAB COc1ccccc1[C@@]1(O)CCC[C@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]21 72340986 YYVYQVXDOZCAFN-KPLVRAHFSA-N 382.508 2.671 0 40 GFAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1cnsc1 72324139 BNJVYRABBQGVNY-CYBMUJFWSA-N 390.415 2.854 0 40 GFAB O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 78654528 GECVRRIBCCNEPS-QUCCMNQESA-N 385.485 2.652 0 40 GFAB COc1ccc2nnc(CCC(=O)Nc3ccc4c(c3)nc(C(C)C)n4C)n2n1 72403515 BRZFPYGUWZOHII-UHFFFAOYSA-N 393.451 2.714 0 40 GFAB OCCNc1nc(N2CCN(C/C=C/c3ccccc3)CC2)nc2ccccc12 41150079 PVMPVLHJSLLDSK-RMKNXTFCSA-N 389.503 2.869 0 40 GFAB C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1 41270126 LBAYKWYFIIEQFZ-CQSZACIVSA-N 392.452 2.629 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)COc2ccccc2C)ccc1C 224382941 LCZHDMQAQMYDDD-OAHLLOKOSA-N 377.462 2.836 0 40 GFAB O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)[C@@H]1CC(=O)N(C2CCCCC2)C1 530644853 LXUXTKNTXRVGBH-LLVKDONJSA-N 389.406 2.870 0 40 GFAB O=C(NCc1nccs1)[C@@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223417531 ZMJHLDRTXONILS-ZDUSSCGKSA-N 381.404 2.552 0 40 GFAB COc1ccc(-c2n[nH]cc2C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)cc1 583652740 LBVBZOJPRGAEFB-ALKREAHSSA-N 394.475 2.558 0 40 GFAB biogenic O=C(CCc1ccccc1)N1CCC(NC(=O)N2CC[C@@H](O)C23CCCC3)CC1 580613093 IHKTYGZCYIPPJR-HXUWFJFHSA-N 399.535 2.699 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccc3[nH]ccc3c1)C2 96237760 KRJYNGLMFHRNOM-QHCPKHFHSA-N 388.471 2.731 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)c1 245377184 IOSGVIBONFEHJT-NDSDBLNTSA-N 377.396 2.663 0 40 GFAB Cc1cnc(C(=O)N2CCC(Cc3cc(-c4c(C)noc4C)ncn3)CC2)cn1 257310948 UHHOSGUQHYPFPT-UHFFFAOYSA-N 392.463 2.942 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cncnc3)C2)ncn1 257223320 DWVOKPXUDBYZLX-OAHLLOKOSA-N 378.436 2.633 0 40 GFAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)CCC(=O)O)C[C@H]3C[C@@H]21 257251934 JSWSMBGUSLTTKO-BDOZRKEQSA-N 389.448 2.723 0 40 GFAB Cc1c[nH]c(-c2cc(C[C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ncn2)n1 257326934 WZDQBEWROPCCFA-MRXNPFEDSA-N 379.439 2.948 0 40 GFAB CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 257299464 RQDTXIHHSJWHAE-JOCHJYFZSA-N 399.539 2.807 0 40 GFAB CC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](F)C2)CCS1 1611791030 TXMUNLOWCAIVPW-LSDHHAIUSA-N 395.548 2.984 0 40 GFAB COCC1(C(=O)N(C)CCN(C)C(=O)Cc2ccc(C)c(OC)c2)CCCC1 1615610393 BCRCXNSSEFKMST-UHFFFAOYSA-N 390.524 2.670 0 40 GFAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C 1137848788 RRNFSDKHFUYZMX-AUSJPIAWSA-N 382.501 2.918 0 40 GFAB Cc1nnc([C@@H]2CN(C(=O)N[C@H]3CCCOc4ccc(F)cc43)CCO2)o1 683824281 UJRGPGQLPRKUFT-HOCLYGCPSA-N 376.388 2.514 0 40 GFAB Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N1CC(OCc2nc(C)no2)C1)CC3 585088718 LHVDAMCKSCNGMJ-CQSZACIVSA-N 395.463 2.636 0 40 GFAB CCc1c(NC(=O)N[C@@H]2CCc3c(nnn3C)C2)cnn1-c1ccc(Cl)cc1 585090796 KDZCEFNFQCHIFG-CYBMUJFWSA-N 399.886 2.896 0 40 GFAB CCNC(=O)COc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC 96635029 FWFMQLODJRJVTM-CXUHLZMHSA-N 398.390 2.694 0 40 GFAB C[C@@H](O)CNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 97296650 YUWRAMXOSLJRJP-GFCCVEGCSA-N 391.265 2.741 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(Cc4nc(C)no4)CC3)nn2)cc1 1775974544 JAJBDTBNKVEHBX-UHFFFAOYSA-N 380.452 2.556 0 40 GFAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 5864291 QFPMYZOWFXTLRX-INIZCTEOSA-N 395.459 2.583 0 40 GFAB O=C(CNC(=O)[C@H]1COc2ccc(Cl)cc2C1)Nc1ccc(F)c(F)c1 17914975 COXCWYOFZDDTOQ-LLVKDONJSA-N 380.778 2.924 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19135313 XLXJUTPZKLCHGO-LJQANCHMSA-N 380.492 2.822 0 40 GFAB CCn1c(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)nc2ccccc21 19524314 XAMYNDQQEFFEDA-XXBNENTESA-N 388.471 2.873 0 40 GFAB COc1ccccc1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19568640 IHXUVILFPYEHBV-UHFFFAOYSA-N 396.472 2.922 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O 19579518 GNKFUVRWSNQCMX-ZDUSSCGKSA-N 379.464 2.516 0 40 GFAB CCN(C(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C1CCN(C)CC1 19666929 ZGAPMBKHAHOPEV-GOSISDBHSA-N 396.535 2.502 0 40 GFAB CN(C)c1ncc(CN2CCC(CC(=O)NCCc3ccccc3F)CC2)cn1 19748493 PBOMQDOCGFLBET-UHFFFAOYSA-N 399.514 2.643 0 40 GFAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1cn(C)nn1)C2 643578284 NGHNNLYFEZIUIN-MSOLQXFVSA-N 382.512 2.515 0 40 GFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1 2627661 JEDFCFLJCHTKEW-QFIPXVFZSA-N 379.460 2.555 0 40 GFAB Cc1cc2n(CC(=O)Nc3cccc4nsnc34)c(=O)c3ccccc3n2n1 19080027 NCQWBABGBNCEHB-UHFFFAOYSA-N 390.428 2.601 0 40 GFAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1ccc(C(F)(F)F)cc1)CCO2 2037984047 OJSQXJMRDSEHGM-SFHVURJKSA-N 386.414 2.544 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037989184 YPUJZPOLRUDJLL-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB Cc1cccc(CN2CCC[C@]3(CCCN(C(=O)CCn4cccn4)C3)C2)n1 2056223773 FNIJUBSNGSQKAR-QFIPXVFZSA-N 381.524 2.881 0 40 GFAB CN(Cc1ccccc1)C(=O)C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12 1565550340 ZOPQYOYJPXMDTQ-VSKRKVRLSA-N 379.504 2.967 0 40 GFAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 4165689 LEHSGWXHCXQCNT-UHFFFAOYSA-N 389.415 2.620 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1N 4586007 QHVAZHBWOOCOKG-UHFFFAOYSA-N 375.479 2.768 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(F)cc3)n2)cc1 9844293 XKTRNVSZKDWMGV-UHFFFAOYSA-N 381.407 2.878 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCOCC3)c(O)n2n1 22854302 BVEKBEDQUPXVOW-CQSZACIVSA-N 380.420 2.759 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100395038 RMQCCKLLPIYWAU-DFEHZGFQSA-N 383.444 2.994 0 40 GFAB COc1ccc(OC)c(-n2nnnc2S[C@H]2CCc3ccccc3NC2=O)c1 32106231 IGRFUWQFBCJUEB-KRWDZBQOSA-N 397.460 2.725 0 40 GFAB O=C(NCc1cccc(C(F)(F)F)c1)NCc1cccnc1N1CCOCC1 32794767 DDOVOQVPLBDOIX-UHFFFAOYSA-N 394.397 2.936 0 40 GFAB COc1ccc(CSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F 32825942 XYFAKLWAHIIDJR-UHFFFAOYSA-N 398.481 2.744 0 40 GFAB CNC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1 32903368 FSRBJLCDLCSOBO-QGZVFWFLSA-N 386.427 2.970 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nncn2-c2cccnc2)cc1 890108 TWWPSELHVMFBRB-UHFFFAOYSA-N 383.433 2.570 0 40 GFAB CCOC(=O)CCCC(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515264 XJRNKEIYSNRCBI-UHFFFAOYSA-N 375.465 2.942 0 40 GFAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)cc1F 2655987 NBFDZFUWEBIOEU-KRWDZBQOSA-N 398.369 2.548 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N 2686626 OZPAYMACAAJXGE-UHFFFAOYSA-N 375.791 2.962 0 40 GFAB COc1ccccc1N1C[C@](O)(c2ccc3c(c2)OCCO3)[N+]2=C1CCCC2 2966240 TUUMIVYBIOSJRJ-QFIPXVFZSA-N 381.452 2.727 0 40 GFAB COC(=O)c1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 3269010 SHZHDFGSNXJOIN-AWEZNQCLSA-N 395.415 2.577 0 40 GFAB CC(C)(C)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 3379153 FTAXFEGIOFNOSG-UHFFFAOYSA-N 390.461 2.705 0 40 GFAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccccn1 3529065 OZATVXCVQCUUPJ-UHFFFAOYSA-N 398.337 2.921 0 40 GFAB O=C1CN(C(=O)COc2ccc(Br)cc2F)c2ccccc2N1 3533675 UCSPQCMTKBJZHD-UHFFFAOYSA-N 379.185 2.952 0 40 GFAB Cc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1 4158628 KEGFABWESCPQTI-QGZVFWFLSA-N 379.503 2.686 0 40 GFAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 4911362 KFSHKMFQOGMSMN-AWEZNQCLSA-N 392.868 2.647 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940809 FMGOJPXLQGQGRA-JTQLQIEISA-N 394.836 2.520 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 4943350 GJOWINYDOGONRJ-AWEZNQCLSA-N 382.416 2.848 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CCc4ccccc4)nc32)cc1C 5143544 ROPGALZTJQBYJO-UHFFFAOYSA-N 387.443 2.610 0 40 GFAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5441099 CPNMZRAHNAHOOP-DOTOQJQBSA-N 378.476 2.831 0 40 GFAB biogenic,in-vitro COc1ccc(F)cc1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5679404 GCQDXOWVPPUSHM-IBGZPJMESA-N 388.420 2.862 0 40 GFAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC3CCCCC3)n2N)cc1 6100654 OMQSYSNYINUHRS-GFCCVEGCSA-N 375.498 2.597 0 40 GFAB O=C(CCNC(=O)c1ccc(Br)cc1)Oc1ccc2c(c1)OCO2 6212792 ZVQURKNHVSCMBX-UHFFFAOYSA-N 392.205 2.903 0 40 GFAB O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 6348516 GHXISLNPDUWIAR-UHFFFAOYSA-N 393.896 2.840 0 40 GFAB O=C(OCn1nnc2ccccc2c1=O)c1csc(NCc2ccccc2)n1 6373857 ZCINXUJMTSXMAJ-UHFFFAOYSA-N 393.428 2.675 0 40 GFAB CCCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 6649552 WLSPFGBGYNVGFV-UHFFFAOYSA-N 382.511 2.773 0 40 GFAB CCCc1cc(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)ccc12 6658780 LRLCCRLKXROECE-IBGZPJMESA-N 381.428 2.974 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)NC[C@H](O)c3ccccc3)c(C)c2oc1=O 6659787 SNLNMWOLAZDPEW-SFHVURJKSA-N 381.428 2.947 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(NCc2ccco2)s1 7162026 VLYRMQRNRZGTQQ-UHFFFAOYSA-N 378.483 2.824 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CC[C@H](C)C2 7603513 XONFQPMRIZBJRK-VIFPVBQESA-N 380.495 2.899 0 40 GFAB O=C(OCC(=O)N1CCOCC1)/C(=C/c1ccc(F)cc1)c1cccs1 7977380 PTVRYRWKDUXVDZ-FOWTUZBSSA-N 375.421 2.830 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)n2cnc3sc(C(N)=O)c(C)c3c2=O)c(C)c1 7994971 LJLJIXDCPOFRCN-LBPRGKRZSA-N 384.461 2.682 0 40 GFAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 8430065 SLNPMQMTBTZSJL-UHFFFAOYSA-N 379.504 2.945 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 8476029 KKHYRHGWTNKCFT-UHFFFAOYSA-N 388.367 2.874 0 40 GFAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 8883005 GRTVXQUNLVVTSK-HXUWFJFHSA-N 378.363 2.769 0 40 GFAB CC(C)[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 8883827 DLEACGPARBOCEE-HUUCEWRRSA-N 379.461 2.747 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1ccc(F)cc1Cl 8923962 FMDCTUYSKKQOSQ-UHFFFAOYSA-N 396.827 2.651 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 9748110 MCBVXHNLLFNJHK-FKIZINRSSA-N 399.472 2.867 0 40 GFAB CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 10449773 JVQIBFULZPIJTR-OAHLLOKOSA-N 388.489 2.829 0 40 GFAB COc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 11161363 PGQCALYLYUOBRC-UHFFFAOYSA-N 399.399 2.611 0 40 GFAB CCn1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21 11472785 UYPNMQALLKHSHE-AWEZNQCLSA-N 385.464 2.719 0 40 GFAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O 12005864 GLIGRHRAWYEEOL-UHFFFAOYSA-N 376.409 2.781 0 40 GFAB COc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3C2)c2nccn2C)cc1 12549725 VBANXNWSQNSAOE-XLIONFOSSA-N 377.444 2.886 0 40 GFAB COc1ccc(COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1OC 12862980 GEPACGMMDHESEY-HNNXBMFYSA-N 385.416 2.809 0 40 GFAB COc1c2c(c(CNC(=O)NC3CCCCC3)c3c1OCO3)CCN(C)C2 12898058 QEWNHRIFQWUWGF-UHFFFAOYSA-N 375.469 2.544 0 40 GFAB biogenic O=C(CC1CCCC1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 12907100 HSPLSSAKUPGMNX-UHFFFAOYSA-N 388.899 2.801 0 40 GFAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)cc1 12996624 UUIYVUYPRJZEHA-UHFFFAOYSA-N 396.896 2.965 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)c(C(=O)O)cc1OC 13263163 ZMAQJKVSRPRVCV-UHFFFAOYSA-N 391.323 2.620 0 40 GFAB CCc1c(O)nc(S[C@@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O 13565069 NAQMBGJIKOMESA-AWEZNQCLSA-N 375.450 2.750 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccs2)N1Cc1ccncc1 13691024 XAQAWWYPSZJMHM-IEBWSBKVSA-N 386.498 2.992 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)C[C@@H](C)O1 14066700 FQFZDKCEELBFHC-IYBDPMFKSA-N 394.537 2.937 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)c3nn(C)c(=O)c4ccccc34)o2)cs1 14679002 SBPOZBRUFHNRNR-UHFFFAOYSA-N 380.429 2.888 0 40 GFAB CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 16187564 AOYVKWLJDAFORU-UHFFFAOYSA-N 386.517 2.788 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)c1 16848276 BUEQRBZMAQCFRG-UHFFFAOYSA-N 380.379 2.641 0 40 GFAB CCCCc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4ccccc43)c2=O)cc1 17056651 OPPXDMLCUASQAR-FQEVSTJZSA-N 391.471 2.809 0 40 GFAB biogenic COc1cccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)c1 18244414 PZSPJUCRSISKDJ-HXUWFJFHSA-N 377.444 2.949 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1Cl 18266128 KGYMMTHSOQBQLR-LLVKDONJSA-N 381.215 2.858 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3N3CCCN23)cc1 19166875 RNJVDKSWQXFFLJ-AABGKKOBSA-N 377.444 2.539 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19210910 DTJSXBCMEUHDJS-DLBZAZTESA-N 380.492 2.604 0 40 GFAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2 19234798 DLRJSPQPCFSNHZ-FQEVSTJZSA-N 378.476 2.596 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n1 19572731 WKWUZCRYGOZGCC-QGZVFWFLSA-N 396.539 2.635 0 40 GFAB CN1CCc2nc([C@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 19590511 BMMVTEYVDHJAMA-HXUWFJFHSA-N 390.491 2.568 0 40 GFAB CC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738961 WUALRVFGNFRQAQ-IBGZPJMESA-N 392.503 2.951 0 40 GFAB Cc1cnc2c(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)cnn2c1 19748956 PAYDRMUZRAWZAR-SFHVURJKSA-N 391.475 2.853 0 40 GFAB CCc1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 22329808 GWCLQYSXINRBDK-UHFFFAOYSA-N 392.496 2.903 0 40 GFAB CCN1CCN([C@H](c2ccccc2F)c2sc3nc(C)nn3c2O)CC1 22468451 YISDIGUQXORXKK-OAHLLOKOSA-N 375.473 2.671 0 40 GFAB CNC(=O)C1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)CC1 23180759 CKLJGUKUULUQMW-UHFFFAOYSA-N 394.562 2.919 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 24576415 PPUOQOPOMOSMRJ-AWEZNQCLSA-N 385.449 2.587 0 40 GFAB CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(OC)c(Cl)c2)c1 25425373 SCRNFHPQZVWOJO-UHFFFAOYSA-N 385.873 2.960 0 40 GFAB O=C(NCCN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1)c1ccco1 26142927 BZCHLDKTXOJFMJ-UHFFFAOYSA-N 396.274 2.774 0 40 GFAB O=C1NC2(CCCCC2)C(=O)N1CCC(=O)N(Cc1ccccc1F)C1CC1 27251549 KLLNUORNYLXBTC-UHFFFAOYSA-N 387.455 2.962 0 40 GFAB COc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1 28208382 NPMYCXKQYBQGIZ-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(-n2cncn2)c(F)c1 32903108 ZHXJUSKPNWJIBN-QGZVFWFLSA-N 387.415 2.576 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)c2ccc(F)cc2)cc1 32957568 FHMWMYVYCPYJNH-IMBBRHANSA-N 385.391 2.778 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1 33620729 NJFVLOYUGNFFNN-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CC[C@@H](CCNS(=O)(=O)c1cn(C)nc1C)n1nc(C(F)(F)F)cc1C 36615084 WQUICSVTIIQVNV-LBPRGKRZSA-N 393.435 2.572 0 40 GFAB COc1ccc(OC)c(CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 43642237 BHUYZDXDMHOHIW-UHFFFAOYSA-N 386.448 2.989 0 40 GFAB CCOC(=O)c1cccc(N(CC)C(=O)C2CCN(c3ncccn3)CC2)c1 48355797 XKXHKIXLNDGTAK-UHFFFAOYSA-N 382.464 2.923 0 40 GFAB CCOc1cc(C(=O)OCC(=O)Nc2cc(C)n[nH]2)cc(OCC)c1OCC 51356519 OLBMREGUDUYGJW-UHFFFAOYSA-N 391.424 2.710 0 40 GFAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCCS(C)(=O)=O)cc1 56015418 YBXBZSHRJOWWHB-UHFFFAOYSA-N 394.518 2.898 0 40 GFAB COc1ccc(OC)c(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1 58315317 UEBUQGQWYJRZPV-INIZCTEOSA-N 397.475 2.653 0 40 GFAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)n1nc(-c2ccco2)ccc1=O 62012636 LKQKTIBVUNOFID-OAHLLOKOSA-N 394.431 2.540 0 40 GFAB C[C@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCCC4)c(=O)c3s2)C1 67226013 IIIRRMUFNAMIOC-ZDUSSCGKSA-N 389.525 2.538 0 40 GFAB CC(C)Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc1 72054871 ZSMZCDNQKMYAIZ-QGZVFWFLSA-N 382.551 2.570 0 40 GFAB O=C(CN1CCCC1=O)N1CCC(c2nccnc2Oc2ccccc2)CC1 72362675 FKHYJQMZXXKTHE-UHFFFAOYSA-N 380.448 2.597 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NCCn1ccc2ccc(F)cc21 72401657 ROEMCYKWIKFJJB-UHFFFAOYSA-N 378.407 2.697 0 40 GFAB COc1nn(C)cc1C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200369 OYLVYKDBQDXMFS-HUUCEWRRSA-N 390.415 2.858 0 40 GFAB CCc1ccc([C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C(C)C)cc1 79023712 XXGKSJLPNJQHEN-GOSISDBHSA-N 392.463 2.677 0 40 GFAB COc1cc(-c2c3cnn(C(C)C)c3nc3[nH]c(=O)n(C)c23)cc2c1OCO2 85412558 PCEABQLQWIHERA-UHFFFAOYSA-N 381.392 2.597 0 40 GFAB CCCCNC(=O)N1CC[C@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 96225790 RPWUIMAVMLJDMY-KKSFZXQISA-N 386.496 2.637 0 40 GFAB Cn1c([C@@H]2CCCN2C(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21 96232481 QWHUOVAJZTXOQT-IBGZPJMESA-N 387.443 2.716 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2 96241043 WLUSIQCZHJKKCL-IBGZPJMESA-N 397.450 2.657 0 40 GFAB Cc1cc(Br)ccc1NC(=O)Cn1nc2c(cc1=O)CCCC2 96345591 MDELERCNEJQWPX-UHFFFAOYSA-N 376.254 2.832 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 102241968 OJGMLHHMKWWIRJ-AWEZNQCLSA-N 399.274 2.900 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C[C@@H](C)O1 108981163 NKMHXWGDJORQIH-MZZPOWALSA-N 392.521 2.859 0 40 GFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccccc1)S(C)(=O)=O 113941462 PHIMLIFXMMWYOD-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB COC(=O)/C=C1\CC[C@H]2[C@@H]3C[C@@H](F)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118917863 AHLOUXATKVXJKD-KCDIACFNSA-N 392.467 2.940 0 40 GFAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc(I)c1 222246349 MHPWIUHQCRHJIL-PLJUSGQGSA-N 391.208 2.849 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2F)ccc1OC 222920491 FDXZXSJSXOHDNZ-UHFFFAOYSA-N 394.468 2.795 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(Cc2ccc(F)cc2)CC1 225270194 OIXYPIICSNIHBB-LJQANCHMSA-N 384.451 2.994 0 40 GFAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 225601290 UGOOZHOJKWFMAP-UHFFFAOYSA-N 390.846 2.610 0 40 GFAB Cc1noc(-c2cccn3c(CNC(=O)c4c(F)cccc4Cl)nnc23)n1 225749544 QQWGCUCMJDLSID-UHFFFAOYSA-N 386.774 2.810 0 40 GFAB CCOc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225946410 GXDMDNTWAFBGTI-QGZVFWFLSA-N 380.441 2.844 0 40 GFAB Cc1cncc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)c1 257213964 CJWKPFWKRGYTKO-YJBOKZPZSA-N 387.867 2.829 0 40 GFAB COCC(=O)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257250524 JMXAJLOYGRMROE-LLVKDONJSA-N 381.358 2.596 0 40 GFAB C[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCC2 260926746 JLXSWDZAIOSZFV-YWZLYKJASA-N 386.517 2.985 0 40 GFAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 306125898 DFDLGRGLDMYOGS-FYYLOGMGSA-N 395.478 2.828 0 40 GFAB Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)c1 306126208 DPPMHWJIKQLJKP-UHFFFAOYSA-N 381.524 2.953 0 40 GFAB O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1CN(Cc3cccs3)C[C@H]1C2 306140048 UIFQRKLAPBZBPY-WMLDXEAASA-N 398.532 2.597 0 40 GFAB COc1ccc(NC(=O)C[C@H]2C(=O)OCN2C(=O)OCc2ccccc2)cc1 408736550 CJNSBQAYFVXVDW-KRWDZBQOSA-N 384.388 2.546 0 40 GFAB CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@@H]1C[C@@H](O)C=C2CO 504660237 XXSSNTKMBVTREV-KFPWLUIXSA-N 392.492 2.535 0 40 GFAB biogenic CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1 552351152 RSCAHGQJJVRHGQ-KRWDZBQOSA-N 376.460 2.932 0 40 GFAB O=C(c1cc(N2CCNC2=O)ccc1F)N1CCC(F)(c2ccccn2)CC1 560480455 PMQLFGXIVSXJIF-UHFFFAOYSA-N 386.402 2.851 0 40 GFAB O=C(Cn1cc(Br)cn1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 572770368 QQZXQZHWUVFKQW-MRXNPFEDSA-N 398.688 2.817 0 40 GFAB COc1cccc(CC(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111423 TXMBVRMUGBZTDO-NRFANRHFSA-N 391.471 2.913 0 40 GFAB Nc1ncc2c(n1)CN(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)CC2 623295664 PBBSWJJKHKFTRD-UHFFFAOYSA-N 397.498 2.918 0 40 GFAB O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cn(C2CCC2)nn1 648410044 HDCJNGJLCIWWAQ-CYBMUJFWSA-N 398.417 2.890 0 40 GFAB O=C(O)c1cccc2c1CN(C(=O)[C@@H]1C[C@@H]1c1ccc3c(c1)OCCO3)CC2 649258085 HKHMDHXWRSYGNW-IAGOWNOFSA-N 379.412 2.844 0 40 GFAB COc1cccc(NC(=O)CN2CCC(N(C)c3ncc(Cl)cn3)CC2)c1 1849473590 ADXHXEQQSSNPJV-UHFFFAOYSA-N 389.887 2.678 0 40 GFAB CN(C)c1ccnc(N2CCN(Cc3cccc(Br)c3)CC2)n1 1889131819 WARUETFZCGTRNZ-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4nc(C5CC5)ns4)CC3)nc(C)n2)n1 1889186673 JEKQEJLJBFVQRI-UHFFFAOYSA-N 396.524 2.643 0 40 GFAB CC(C)CNC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 18798633 JMVJWUFNNDHHRH-HNNXBMFYSA-N 399.491 2.831 0 40 GFAB Cc1cc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1Cl 2763303 GPVZERZJPDWIGQ-CQSZACIVSA-N 376.840 2.993 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1 22766749 WTAKZYLUYUAIOW-INIZCTEOSA-N 390.505 2.771 0 40 GFAB Cn1nnc2cc(C(=O)N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)ccc21 104318312 QUPBQPRMGCWFLV-UHFFFAOYSA-N 397.866 2.610 0 40 GFAB COc1cccc(CCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1OC 23054607 CNIKILNBVPZLSZ-UHFFFAOYSA-N 396.443 2.924 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc3cccnc23)cc1 8036992 JTYZEKCKEAJLEZ-ZDUSSCGKSA-N 397.456 2.743 0 40 GFAB COC(=O)c1sc2nc(CN(C)Cc3ccc(F)cc3)[nH]c(=O)c2c1C 24631161 KMGUASKJLUEXGU-UHFFFAOYSA-N 375.425 2.851 0 40 GFAB CCOC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1OC 57731187 CFUBRAONLUWDQV-IFXJQAMLSA-N 387.480 2.598 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(=O)O)cc2)n2ncnc2N1 8609950 BMBANUISZIOHRB-KRWDZBQOSA-N 375.388 2.904 0 40 GFAB Cc1cc(C(=O)CSc2nc(O)c3cn[nH]c3n2)c(C)n1C[C@@H]1CCCO1 24747812 QWGYFNGQEDFSSS-LBPRGKRZSA-N 387.465 2.631 0 40 GFAB COc1cccc(NC(=O)C[C@@H](CN2CCN(c3ccccc3)CC2)C(=O)O)c1 61721235 DBPUNFZRGVDLMT-KRWDZBQOSA-N 397.475 2.547 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)c1 25240444 YDMAWSCPWLBRDU-UHFFFAOYSA-N 383.473 2.708 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(COC)cc1 18094665 FSBJGLCNOMXUDE-UHFFFAOYSA-N 384.432 2.705 0 40 GFAB CCNC(=O)CSc1nnc([C@@H](CC)N(C)C)n1-c1ccc(OC)cc1 25756849 PCPKLBQVGHHGMV-OAHLLOKOSA-N 377.514 2.517 0 40 GFAB COC(=O)c1c(C)cccc1NCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 12592231 NCEKSMBDPXFFKK-UHFFFAOYSA-N 381.432 2.741 0 40 GFAB O=c1cccc2n1[C@H]1C[C@H](C2)CN(Cc2nc(-c3cccnc3Cl)no2)C1 100726413 NCMAVXWCCOAJGL-JSGCOSHPSA-N 383.839 2.566 0 40 GFAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 104450432 PXCIIUWMNFDGHA-RVPKQNPDSA-N 378.450 2.907 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1F 22335404 HIBXVDFNHMWIDG-QGZVFWFLSA-N 376.453 2.786 0 40 GFAB Cc1nn(Cc2ccccc2)c(Cl)c1CNCC1CCN(CCO)CC1 109071580 QZBKRRMQEGWVAY-UHFFFAOYSA-N 376.932 2.687 0 40 GFAB CCCCOC(=O)c1ccc([C@@H]2N=c3ccc(N)c(Br)c3=N2)cc1 103533936 VBBCETJGUGYDAT-QGZVFWFLSA-N 388.265 2.940 0 40 GFAB CC[C@@]1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnnn32)CO1 2254633 WUWLEXONFKJHMX-IBGZPJMESA-N 381.461 2.790 0 40 GFAB O=C(CCCCCNC(=O)c1ccccc1)OCN1C(=O)c2ccccc2C1=O 2324185 JCBZLTSHLDMMQZ-UHFFFAOYSA-N 394.427 2.774 0 40 GFAB CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@H](c2ccccc2)C1 36437947 HZJBUGBPVGRTHN-LEWJYISDSA-N 393.487 2.933 0 40 GFAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1ccc(Cl)cc1 22075094 IPHJFHXJEDOLIZ-OAHLLOKOSA-N 378.900 2.988 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F)C(C)C 36585384 YNQHUAADWODWLL-WBVHZDCISA-N 392.406 2.543 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cnc4ccccn4c3=O)n2)C1 12757407 HNPSHRHGKAIJML-OKILXGFUSA-N 397.504 2.881 0 40 GFAB CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccccc3)c(C)c2)CC1 29376019 SCXOFOSRTBJRQR-UHFFFAOYSA-N 380.492 2.505 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1 18231920 AMSDUOLSCLZQAR-UHFFFAOYSA-N 382.821 2.872 0 40 GFAB NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 3572758 PHIHHKWTZKLSDA-UHFFFAOYSA-N 377.445 2.876 0 40 GFAB CCOc1cc(C(=O)N2CCC(C(=O)O)CC2)cc(Br)c1OC 13167295 VXYCKPQBRALZEL-UHFFFAOYSA-N 386.242 2.793 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(C)c1 408616812 BEFVRJBAJZGIOZ-MRXNPFEDSA-N 390.505 2.940 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc1 28207887 SGFSZFLGGLQMQL-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CC(C)CC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@@H]1CCCO1)n2C 13690846 ZZGZVCXSNOHCBI-SFHVURJKSA-N 386.496 2.786 0 40 GFAB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 13726826 LLFMWIZCWQYKMC-QGZVFWFLSA-N 389.415 2.978 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1 4385075 NIYSNDXREZUQFW-INIZCTEOSA-N 397.427 2.873 0 40 GFAB O=C(NCCCN1CCOCC1)c1ccc(COc2cccc(Cl)c2)o1 27970001 UXSIXSNAMPJHHU-UHFFFAOYSA-N 378.856 2.964 0 40 GFAB COc1cc(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc(OC)c1OC 14075517 GLFMGPQJMJTJDK-UHFFFAOYSA-N 384.432 2.786 0 40 GFAB Cc1cc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)no1 9535184 RDWASQSPXXUELF-MRXNPFEDSA-N 393.827 2.573 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 14247708 KCBVXEYZULEZKK-OAHLLOKOSA-N 392.521 2.548 0 40 GFAB COc1ccc([C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)N(C)C)cc1 14237953 SQOBMVYJXFXTSA-OAQYLSRUSA-N 395.503 2.784 0 40 GFAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1 9089689 PKDMPKKQKSVHJU-XXBNENTESA-N 389.455 2.519 0 40 GFAB biogenic CNC(=O)NC(=O)[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 6612066 DUGBGELHSYIDQX-MRXNPFEDSA-N 394.349 2.988 0 40 GFAB O=C(Nc1cccnc1)c1ccc(Cl)c(NC(=O)c2nccnc2C(=O)O)c1 71284516 VNRYIJJERXDRHL-UHFFFAOYSA-N 397.778 2.728 0 40 GFAB O=C(Cc1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 4728538 QBEPQLAQRHBUSE-UHFFFAOYSA-N 386.444 2.933 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 4811394 MCXCMJUZCCQTSH-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB COC(=O)c1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc(C(=O)OC)c1 6948191 MOYRGPGFLBIBJW-LJQANCHMSA-N 397.427 2.832 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(SC)c2)ccc1C 408622886 NXAMRRNBGBKWHY-UHFFFAOYSA-N 394.518 2.894 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7703833 RSCQZDSOEDLIIZ-UHFFFAOYSA-N 388.445 2.511 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)cc(F)c2)C1 16305786 MSQXNQTWWDQQDA-GFCCVEGCSA-N 399.419 2.609 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)nn1-c1ccccc1 8076479 MOUDWUWHAZFHDC-SFHVURJKSA-N 392.459 2.701 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc2ccccc2c1 8288116 LBYYGODREZMFBG-UHFFFAOYSA-N 379.441 2.907 0 40 GFAB CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccccc1 22522822 GFQOVAPMFMZNCK-GOSISDBHSA-N 376.478 2.729 0 40 GFAB CN(Cc1ccnn1C)C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28236748 IOUNRSDBUUFIJM-UHFFFAOYSA-N 393.369 2.944 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc3[nH]ccc3c2)cc1 95462893 ULJIFZSSRKAFAC-UHFFFAOYSA-N 385.489 2.504 0 40 GFAB COc1cc(OC)c2cc(CCCNC(=O)[C@H]3CCn4cncc4C3)[nH]c2c1 95972841 LQENWXWDEORLGI-AWEZNQCLSA-N 382.464 2.693 0 40 GFAB Cc1ccc(OCc2cccc(C(=O)N3CCOC[C@@H]3c3ncon3)c2)cn1 95981476 AYRQWKXKANFWLW-GOSISDBHSA-N 380.404 2.566 0 40 GFAB CCN(CC)C(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248825 PXXKVSLNFZJHNS-UHFFFAOYSA-N 376.906 2.618 0 40 GFAB CCc1nc(N2CCN(C(=O)Nc3ccccc3C)CC2)c2c(n1)c(C)nn2C 28557619 JXGQNEQETTYVBF-UHFFFAOYSA-N 393.495 2.897 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)ccc2OC)cc1 409391363 NQDMIWFDZQYUBW-UHFFFAOYSA-N 392.477 2.573 0 40 GFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 29674959 CLZIMGHPWPUAPY-UHFFFAOYSA-N 388.420 2.972 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)ccc1S(C)(=O)=O 504635001 JBNHMGGUPNULJM-FUHWJXTLSA-N 389.477 2.835 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc(Cl)c2)Oc2ccccc21 38833857 GSCJITWPUQCUCM-INIZCTEOSA-N 380.853 2.896 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)c1cn(C)c(=O)c2ccccc12 70666220 OITPOEQHEDUPMV-UHFFFAOYSA-N 375.428 2.932 0 40 GFAB biogenic O=C(CCc1c[nH]c2ccccc12)NCCn1nc(-c2ccco2)ccc1=O 42384098 IKXNILKEEYRBSZ-UHFFFAOYSA-N 376.416 2.734 0 40 GFAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1cccs1 41224367 NSYXSDPWFNSWTD-CQSZACIVSA-N 384.910 2.871 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222461823 GNFDZSWMUMCASM-CQSZACIVSA-N 376.478 2.890 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(N2CCCCC2)cc1 136643863 DZEFYLOTFPPZLE-KDURUIRLSA-N 381.476 2.957 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(F)cc2)ccc1Cl 225192321 SEZNGNBYHMNJSL-UHFFFAOYSA-N 387.816 2.623 0 40 GFAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 223587810 QUTYVZCQTFHLPY-VQTJNVASSA-N 394.500 2.846 0 40 GFAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220442058 MHIUUCBRVIQCHF-OLZOCXBDSA-N 382.432 2.997 0 40 GFAB O=C(N[C@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1)c1ccccn1 98211793 OODFZZOJXCDIEK-KRWDZBQOSA-N 384.443 2.800 0 40 GFAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 96079503 CHUZRFGBJGOXLI-LJQANCHMSA-N 397.563 2.902 0 40 GFAB Cc1cc(C)c2[nH]c(C(=O)N3CC[C@H](O)[C@@H](NC(=O)C(C)C)CC3)c(C)c2c1 257236582 HCVRRRZLHVQLQZ-ROUUACIJSA-N 385.508 2.831 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)NCCC[C@@H]34)[nH]n2)c(OC)c1 257326390 WXAYLTMAMOWBFC-CTNGQTDRSA-N 384.480 2.841 0 40 GFAB CC(C)Oc1ccc(CN2CCC[C@]3(CC2)Cc2c(N)nc(N)nc2O3)cc1 257246487 IUHNSSAYCMUEEV-NRFANRHFSA-N 383.496 2.788 0 40 GFAB O=C(COc1cccnc1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67817100 JGQYBCUGRIOKTK-UHFFFAOYSA-N 377.400 2.649 0 40 GFAB O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CCN(c2ccccn2)CC1 96122608 GAXYQKSBQRMQNV-KRWDZBQOSA-N 377.448 2.540 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1=O 626566056 NNNBQKWHVWLNIY-GDIGMMSISA-N 385.439 2.721 0 40 GFAB Cc1c(C(=O)Nc2ccc(O[C@H](C)C(=O)O)c(F)c2)cnn1C1CCOCC1 630259356 YYSQDHDXIADJAI-GFCCVEGCSA-N 391.399 2.786 0 40 GFAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390830648 MJJBEDPVTAUEBF-INIZCTEOSA-N 393.486 2.537 0 40 GFAB O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 54152076 LXXQZQNJPWCQTR-OAQYLSRUSA-N 380.488 2.870 0 40 GFAB Cc1ccncc1C1=CCN([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 95462497 FVQKUWQNIVBCBM-QGZVFWFLSA-N 378.476 2.894 0 40 GFAB Cc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 5330841 AGWROCIKEVCSAB-UHFFFAOYSA-N 393.896 2.869 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)N(CC)c3ccccc3)c(=O)c2c1C 5556815 UNYFIAVMOIGWDU-UHFFFAOYSA-N 399.472 2.996 0 40 GFAB COc1ncc(C2(O)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)n1 12186350 KXQMJJOLNCPYLC-UHFFFAOYSA-N 397.397 2.996 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(OC)cc4)CC3)ccc21 12238789 XRKRZYYLOMMHKG-UHFFFAOYSA-N 388.445 2.591 0 40 GFAB CNC(=S)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 13658193 LPQXDVHVDMLDIL-UHFFFAOYSA-N 375.494 2.794 0 40 GFAB Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@H]2c1ccc(Cl)cc1 14607539 QHUBTILWVXELMD-QGZVFWFLSA-N 380.839 2.718 0 40 GFAB S=C(NCc1ccccc1CN1CCOCC1)Nc1ccc2c(c1)OCCO2 17452152 JXRCFWDRZYSOSM-UHFFFAOYSA-N 399.516 2.777 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 19572905 IWZCHNXLAKDKNH-XLIONFOSSA-N 396.539 2.983 0 40 GFAB Cc1nc2sc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(C)c2c(=O)[nH]1 19665331 LOXIYTMDYQBSBK-SNVBAGLBSA-N 385.445 2.864 0 40 GFAB Cc1nonc1C(=O)N1CCO[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19692905 UPEPTNPULMHPOM-SFHVURJKSA-N 382.395 2.717 0 40 GFAB C[C@H](c1cc(O)nc(NCC(C)(C)CN(C)C)n1)n1ncc2ccccc2c1=O 19717574 IFRRIYJCALANCN-CQSZACIVSA-N 396.495 2.501 0 40 GFAB CSc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 8169573 NSURUCJAJUZAGC-MLJKTZRHSA-N 392.502 2.740 0 40 GFAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc2c(c1)OCO2 4890598 MFRILBPDQZVGFM-ZDUSSCGKSA-N 396.399 2.726 0 40 GFAB COc1cccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 2037988504 OVTUVWHHKAAXRI-QFIPXVFZSA-N 395.459 2.519 0 40 GFAB CN(C)CCCN1CNC2=N[C@@H](c3cccs3)n3c(nc4ccccc43)N2C1 20102203 HRENEARRCJVIRH-GOSISDBHSA-N 395.536 2.593 0 40 GFAB CC1(C)CC(=O)c2sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)nc2C1 4496400 WPKUZTLBKWTBJT-UHFFFAOYSA-N 396.465 2.850 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)NCCC3=CCCCC3)CC2=O)cc1OC 4479811 VOYQPWMZZSXAFL-INIZCTEOSA-N 387.480 2.999 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4cccs4)cnc32)cc1C 10252155 UOKACRQJUREHMR-UHFFFAOYSA-N 379.445 2.573 0 40 GFAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)Nc3ccccc3F)c(=O)c21 12228473 XOHVQOXXGPHYTJ-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB COc1ccc(CCNC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 38489425 XTVHXJGOLKRXOQ-UHFFFAOYSA-N 393.491 2.641 0 40 GFAB Cc1ccc(-c2cc(CNC(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)no2)cc1 38752708 SLDHSWSKZUNJLZ-MRXNPFEDSA-N 396.472 2.868 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NCCc1cnc(-c2ccccc2)nc1 225592845 GTGFEFYQDVKDRT-UHFFFAOYSA-N 395.484 2.666 0 40 GFAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncccc2C(F)(F)F)C1 585604411 ANZVOSBZPZIBDD-UHFFFAOYSA-N 387.365 2.856 0 40 GFAB CN(C)c1ncccc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40134418 MCNPPQWNMHCPBB-UHFFFAOYSA-N 393.413 2.960 0 40 GFAB O=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31702280 PSEYWHKJLWQZAB-UHFFFAOYSA-N 393.896 2.916 0 40 GFAB CCN1C[C@H](C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1=O 32816320 OJHJEBQHLVRPKN-NQIIRXRSSA-N 396.487 2.972 0 40 GFAB O[C@H](COc1ccc(F)cc1)CSc1nnc(N2CCCC2)n1C1CC1 32888266 WHOJFQXECQKAOH-OAHLLOKOSA-N 378.473 2.884 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 800510 NGAGEKAWFMRQEO-OAHLLOKOSA-N 382.416 2.620 0 40 GFAB COc1cccc(-n2c(COc3cccc(C)c3)nnc2SCC(N)=O)c1 1329438 HGRHMAFYAGRCBY-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)CCSc2ccc(Cl)cc2)cc1 2621591 YSKJNKYRMBLKJX-UHFFFAOYSA-N 398.937 2.829 0 40 GFAB COCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O 3493626 AIKSOYGGZNKKDG-UHFFFAOYSA-N 399.472 2.782 0 40 GFAB CC(C)NC(=O)CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 12322390 LXVUZWFLNYIPSC-UHFFFAOYSA-N 382.493 2.584 0 40 GFAB N#Cc1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 6971578 UQQKGAYZASWHGQ-LICLKQGHSA-N 384.351 2.880 0 40 GFAB O=c1[nH]c(CN2CCN(Cc3ccccc3)CC2)nc2sc3c(c12)CCC3 22795612 AUSQMPTZTFKWGF-UHFFFAOYSA-N 380.517 2.791 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1C 10301255 DRSMWAOMRFSXAP-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB CCOc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 10449774 RKFGTDXTFNKSOY-HNNXBMFYSA-N 388.489 2.829 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c(C)c1 8732535 PBYKZCNBVIZCIL-HNNXBMFYSA-N 382.416 2.758 0 40 GFAB Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2nc3ccccc3s2)n1 1059137 CRQKIONCLNLQDE-UHFFFAOYSA-N 388.474 2.977 0 40 GFAB C[C@@H](OC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)C(=O)NC(N)=O 12549163 JLMWZYNYYOCHQK-SNVBAGLBSA-N 393.346 2.772 0 40 GFAB COc1cc([C@H]2NC(=O)c3ccccc3N2)cc(I)c1O 12545977 QQXPLIWAANDWKV-CQSZACIVSA-N 396.184 2.860 0 40 GFAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2nc3ccccc3s2)CC1 23865476 MDJRZGJJHCAIBR-GOSISDBHSA-N 379.485 2.944 0 40 GFAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(c3ccccc3O)CC2)CC1 12528044 IHIJKKQULHKZAM-UHFFFAOYSA-N 399.516 2.655 0 40 GFAB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 57316555 SSQXRKQWNWBLRR-UHFFFAOYSA-N 397.247 2.904 0 40 GFAB COCCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccncc1 3222147 LSKPFJQYWLTOFT-UHFFFAOYSA-N 384.461 2.970 0 40 GFAB Cc1cc2occ(CC(=O)NCc3ccc(S(N)(=O)=O)s3)c2cc1C 43948881 KGELGLNZNVAJOX-UHFFFAOYSA-N 378.475 2.617 0 40 GFAB O=C(CN1CCN(C(=O)C2CC2)CC1)N[C@@H](c1ccccc1)c1cccs1 35307827 YCMDHZDRLUVYDU-FQEVSTJZSA-N 383.517 2.508 0 40 GFAB Cc1ccc2c(CN3C(=O)N[C@@](C)(c4ccccn4)C3=O)cc(=O)oc2c1C 84209916 MXSLSVNHBFSECV-NRFANRHFSA-N 377.400 2.772 0 40 GFAB O=C(NCc1ccc(-n2cccc2)cc1)c1nc(Cn2cc(Cl)cn2)no1 21451629 WKDDRFUBEUFRCD-UHFFFAOYSA-N 382.811 2.689 0 40 GFAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CCN(S(C)(=O)=O)CC1 12799220 ADWOMEOYQVBLFV-UHFFFAOYSA-N 394.581 2.931 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)c1C 12746302 ZUSMQUBXCWUPEH-AWEZNQCLSA-N 384.307 2.580 0 40 GFAB CCN(CC)CCNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 37077630 FTDZEOPIYMCDPN-RQJZOYDLSA-N 377.573 2.802 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3ccc(Cl)cc3)c2c1 60386445 NISHHZQGPAHZDX-UHFFFAOYSA-N 394.884 2.744 0 40 GFAB Cc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 3448662 XBFXWUWAMLHDKU-UHFFFAOYSA-N 389.473 2.681 0 40 GFAB NC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 12933182 GCLXDJAZYXKATR-UHFFFAOYSA-N 391.265 2.732 0 40 GFAB CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1N1CCOCC1 8942632 XEZIORFVBRQGIP-UHFFFAOYSA-N 386.477 2.842 0 40 GFAB O=c1[nH]nc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)[nH]1 92869955 GBOVHLRDYAVHSY-UHFFFAOYSA-N 388.840 2.944 0 40 GFAB CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC 13150399 OVDRODOYHTZPRU-WJDWOHSUSA-N 383.429 2.756 0 40 GFAB CN(C)C(=O)Cn1ccc2cc(NC(=O)c3cc(=O)[nH]c4ccccc34)ccc21 63828580 OTIQQXPAUCJQJV-UHFFFAOYSA-N 388.427 2.823 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCCC1=CCCCC1 39266273 MROVMVWVDLZKJJ-IBGZPJMESA-N 381.476 2.645 0 40 GFAB biogenic CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(-c3cccnc3)o1)OCO2 6100506 PCJUCYARYAWWKT-UHFFFAOYSA-N 398.400 2.794 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 6405837 BNBNWAULASEPQN-AWEZNQCLSA-N 392.452 2.874 0 40 GFAB C[C@H](C(=O)N1CCCCC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 14165911 XVUGYTPYCKUJNA-CYBMUJFWSA-N 387.402 2.857 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 14183156 DBUMRWWLXIVGSM-CALCHBBNSA-N 378.538 2.900 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H](O)c1ccccc1 6658670 HEFHOGOTHFXRTD-IBGZPJMESA-N 379.412 2.510 0 40 GFAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3C)C2=O)cc1 9420274 RIVPSHABOOSKKY-IBGZPJMESA-N 395.459 2.885 0 40 GFAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCN2CCCCCC2)c1 20459558 MNAYZDXUFJEFHC-UHFFFAOYSA-N 387.933 2.707 0 40 GFAB Fc1ccc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 306131808 KQAVRXRYFIRLOA-KRWDZBQOSA-N 381.455 2.695 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccccc1Cl 9419225 KQSVIXGQFPJMIP-SFHVURJKSA-N 399.878 2.900 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1OC 408697104 HLMCAZWLYXCYJA-UHFFFAOYSA-N 394.449 2.862 0 40 GFAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 7735763 DOLPLWKDLGVGAF-AWEZNQCLSA-N 383.400 2.991 0 40 GFAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 8124467 FJMHMQUGHTYXCQ-HXUWFJFHSA-N 386.423 2.840 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8168587 CHUXAUADDYMSMX-RMKNXTFCSA-N 392.427 2.511 0 40 GFAB CCCn1c(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)n[nH]c1=O 9608355 PZLOWLAKUJXKGR-UHFFFAOYSA-N 389.462 2.832 0 40 GFAB O=C(NN1Cc2ccccc2C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 95444092 SJDLYMUJZZQLCS-QGZVFWFLSA-N 387.892 2.902 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)Cc1cnn(C)c1 95998603 YDCGSRWNQHTIOA-IBGZPJMESA-N 397.454 2.504 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl 28208088 UPGXCSQSKLWNHG-LBPRGKRZSA-N 376.906 2.664 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccc(F)cc2)cc1 22352194 LNFLBZVEDOHMAB-UHFFFAOYSA-N 378.469 2.850 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)CCc1c(C)nc2ncnn2c1C 21476422 OOOFDQZHOMWGMR-UHFFFAOYSA-N 382.420 2.628 0 40 GFAB C[C@]1(C(=O)Nc2cccc(CN3CCOCC3)c2)Oc2ccccc2N=C1O 36358838 DBIIACVZXNQXNW-OAQYLSRUSA-N 381.432 2.897 0 40 GFAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cncc(Br)c1 38679742 MOXYTZURDGZATN-NWDGAFQWSA-N 398.282 2.581 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 306143351 XZZJACVFRWWJGY-FYYLOGMGSA-N 395.503 2.790 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 73257868 CGPNWVMBMDTTMA-SFTDATJTSA-N 398.503 2.839 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306134360 NKZLIQMGEZVEBH-QGZVFWFLSA-N 385.493 2.711 0 40 GFAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nc(-c2cccnc2)cs1 71285076 PYUYPSREBOKBHN-UHFFFAOYSA-N 379.449 2.831 0 40 GFAB Cn1nnc(-c2ccc(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)cc2)n1 36752519 UUHYDNFVJOLXKK-FQEVSTJZSA-N 390.491 2.834 0 40 GFAB CC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 36353851 QFOHYZGMXLDZRU-GFCCVEGCSA-N 376.457 2.962 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cccc(C(C)C)c3)C2=O)cc1 32858340 WSYNNUOATVPNEP-UHFFFAOYSA-N 395.415 2.753 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccco3)C2)cc1 72343132 JLMLRTBMMMMPRS-POZUXBRTSA-N 377.462 2.597 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@@H](O)c2ccccc2F)nn1 225580275 MUXWWGORKLSQRQ-HXUWFJFHSA-N 393.422 2.605 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)ccc1-n1cccn1 569566373 SSLDIGKHPBACRE-QGZVFWFLSA-N 381.436 2.901 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 223862608 FIWYMMYUYCXWGH-AWEZNQCLSA-N 376.478 2.890 0 40 GFAB COC(=O)CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 48623199 GHULGCPYLOPNRQ-HOTGVXAUSA-N 377.437 2.778 0 40 GFAB COc1cccc(CC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 40081457 OAMHXDUUBAQFBX-QFIPXVFZSA-N 381.520 2.733 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)ccc21 225690780 GPHQQEGVWUBBFG-UHFFFAOYSA-N 391.474 2.842 0 40 GFAB CC(C)(C)C(=O)c1cc(C(=O)O)c(=O)n(-c2ccc(Br)cc2)n1 225968157 XBASMQWSEABZQI-UHFFFAOYSA-N 379.210 2.922 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220476437 CRPDWFHAMFZRNS-LBPRGKRZSA-N 378.425 2.822 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCc3onc(COc4cccnc4)c3C2)c1 96260080 PVTOFSAWMNBVPW-UHFFFAOYSA-N 385.445 2.704 0 40 GFAB O=C(O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 514289370 RKFPDYPKQWBDRM-GJZGRUSLSA-N 399.495 2.956 0 40 GFAB biogenic,in-vitro CC(C)(C)OC(=O)N1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCCO2)C1 585079880 TWZCSSPUJXQPAL-MSOLQXFVSA-N 389.496 2.846 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257270984 MWKLGXIYKMVMCU-WMQCIHAUSA-N 389.455 2.713 0 40 GFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCc2ccncc2)cc1OC 253395760 CLLIGKHXKKHQOH-LBPRGKRZSA-N 383.404 2.737 0 40 GFAB biogenic,in-vitro COC[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514467 CNYKRINOIQDUIT-JZXOWHBKSA-N 380.849 2.997 0 40 GFAB COC[C@@]1(C(=O)O)CCN(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 635513737 CSISHGIVDZZUNE-GHTZIAJQSA-N 383.448 2.612 0 40 GFAB Cc1ccc2c(c1)CN(C(=O)NCc1cc3ccccc3n(C)c1=O)CCO2 644493479 UOCXRIQHXBVNBP-UHFFFAOYSA-N 377.444 2.951 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@H](OCCO)c2ccc(C)cc2)cc1F 96338088 PDDVONFYTNZAHU-IBGZPJMESA-N 397.468 2.561 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](OCc4ccncc4)CS3)C2)cc1 575405232 XKXTWPIXTNNNJS-KRWDZBQOSA-N 390.530 2.855 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)c1ccccc1 1775963931 KKADPXBRSPVPLI-SFHVURJKSA-N 390.443 2.906 0 40 GFAB biogenic,in-vitro CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(Br)c2)CC1 96374527 YDHKUUJLVSFFKJ-UHFFFAOYSA-N 389.315 2.520 0 40 GFAB COc1ccc(CN2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1F 301059565 DAMJAGAEYIKYAM-UHFFFAOYSA-N 396.470 2.749 0 40 GFAB CN(Cc1ccc2ncccc2c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12222443 DAGLCYZUXNQBMV-UHFFFAOYSA-N 381.457 2.940 0 40 GFAB COc1ccc2cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1 12390510 NEMHGAKXJWZTKM-UHFFFAOYSA-N 395.415 2.706 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 12977412 KZKKMOPUCKEMKM-IBGZPJMESA-N 393.487 2.715 0 40 GFAB CC(C)Oc1ccccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858555 QAORALOBJFMTET-UHFFFAOYSA-N 388.445 2.793 0 40 GFAB CN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 16023020 WIIBLHOBHVOICS-UHFFFAOYSA-N 378.881 2.940 0 40 GFAB COc1ccccc1N1C[C@H](NC(=O)[C@H](C)n2c(C)nc3ccccc32)CC1=O 19286679 LFIBFAABBNVWTF-GOEBONIOSA-N 392.459 2.836 0 40 GFAB CC[C@@H](C)NC(=O)CN1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 19499965 JGHDYMRVBUMKKQ-RGCMKSIDSA-N 387.450 2.895 0 40 GFAB CCCCN(C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 19502223 GJEIKUYNKBYDET-IBGZPJMESA-N 381.480 2.630 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2=O)cc1 19586400 HEDVRNRONADNRE-INIZCTEOSA-N 398.459 2.724 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(CN(C)C)n(C)n2)cc1F 19709175 XLKJQRDZAVCHHN-IBGZPJMESA-N 388.487 2.926 0 40 GFAB COc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4392166 WNZVVBYSRRXDFK-RGFVMQALSA-N 399.512 2.967 0 40 GFAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)NCc2ccncc2)CC1 102674298 FHMCHJDKTWAQOW-HDICACEKSA-N 376.460 2.914 0 40 GFAB CCOc1cc2c(cc1CN1CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C1)OCO2 19532471 BTFFTXSAMUMYNP-HNNXBMFYSA-N 385.464 2.894 0 40 GFAB CC1CCC(C(=O)N2CC[C@H]3C[C@H](C(=O)N(C)Cc4ccccn4)O[C@H]3C2)CC1 1565548646 GSOSHKPRSIFSRV-ADILABOOSA-N 399.535 2.872 0 40 GFAB CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCC2 5189773 CTBYBFRWWPNQHD-UHFFFAOYSA-N 393.486 2.826 0 40 GFAB COc1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCCO4)cc1OC 12080594 LPPNMDNKMGBHNJ-FMQUCBEESA-N 386.429 2.769 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1cccs1 22506229 IVPVEYCDDZZUTI-UHFFFAOYSA-N 381.479 2.618 0 40 GFAB COc1ccccc1NC(=O)/N=c1\c2ccccc2[nH]c(=O)n1C[C@@H]1CCCO1 101113802 PBNOXFMQPTULHO-FEWXFKJYSA-N 394.431 2.650 0 40 GFAB CCOc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)CC)cc1 35595035 IGTCPJJKZJVPEC-UHFFFAOYSA-N 398.463 2.985 0 40 GFAB CCc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1 49410337 ITXLFUQJCMRGEQ-UHFFFAOYSA-N 392.394 2.949 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 575619464 FPHXDMGDMQFAEO-KRWDZBQOSA-N 383.423 2.607 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1cnn(Cc2ccccc2Cl)c1 40015813 OOLSPHURWFWKCV-UHFFFAOYSA-N 384.871 2.833 0 40 GFAB CNC(=O)c1cccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1C 40120262 JTSNYICZXKVQEC-UHFFFAOYSA-N 387.411 2.724 0 40 GFAB CSc1nc(NCCCN2CCOCC2)c2c3c(sc2n1)CN(C)CC3 20443445 KVJBXJIBJVRDLY-UHFFFAOYSA-N 393.582 2.535 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N3)cc1 20721089 OWKWPGQUEZDBMJ-MRXNPFEDSA-N 377.404 2.784 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccc(OC)cc2)C1 52133381 RNXYBNNVFFFFMD-RBUKOAKNSA-N 388.508 2.504 0 40 GFAB C[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1nc2ccccc2[nH]1 102309664 LFBXTHZXKLLHRG-JTQLQIEISA-N 379.445 2.590 0 40 GFAB CC(C)CN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)NC1=S 687282 CWXPOGUFRNNEEE-JYOAFUTRSA-N 383.267 2.891 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 957777 FGNDXDPERVRYFS-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB COc1cc(C(=O)Nc2nnc(N3CCCCC3)s2)cc(OC)c1OC 1418514 QEKIHTCEFZCBPK-UHFFFAOYSA-N 378.454 2.807 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)NCCCCCC(=O)O)c(C)c2oc1=O 2093715 GHTHWEHZNXQSEU-UHFFFAOYSA-N 375.421 2.858 0 40 GFAB biogenic CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2095354 SVYHFIUVFJSAER-PZROIBLQSA-N 387.432 2.665 0 40 GFAB biogenic COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)c1 2207746 OJCAGNBJXZFRRF-UHFFFAOYSA-N 391.403 2.677 0 40 GFAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3278901 OGNYZCYDOCMRAZ-SNVBAGLBSA-N 392.333 2.867 0 40 GFAB CCOC(=O)Nc1ccc2c(CN3CCC(C(=O)OC)CC3)cc(=O)oc2c1 3344043 LCBBHWYPEVWWNC-UHFFFAOYSA-N 388.420 2.746 0 40 GFAB COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 4061871 TWOLFEWIKVSGFO-BZUAXINKSA-N 377.481 2.909 0 40 GFAB COc1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccccc4O3)o2)c(OC)c1 4276116 BZYJPECLKYTKPI-INIZCTEOSA-N 383.360 2.532 0 40 GFAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 4569576 JGRXHVNEOYMSSP-AWEZNQCLSA-N 384.910 2.985 0 40 GFAB Cc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc32)c1 5057003 QCOLBSBMGKLTEN-UHFFFAOYSA-N 394.822 2.578 0 40 GFAB CCn1c(SCC(=O)NCc2ccccc2OC)nnc1-c1ccncc1 5312408 AAMQFDYFARQISJ-UHFFFAOYSA-N 383.477 2.777 0 40 GFAB CSc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 5560270 KIBXHIZEYIBJHW-UHFFFAOYSA-N 392.502 2.682 0 40 GFAB CCOC(=O)CCN(C(=O)OCC)[C@H](COCc1ccccc1)C(=O)OCC 5574623 DMRURLVHQOQKEC-QGZVFWFLSA-N 395.452 2.547 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(C(=O)OC)cc3)CC2=O)cc1 5638266 QHGQACNRSMOZPU-OAHLLOKOSA-N 383.400 2.830 0 40 GFAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCC)s1 6751887 KGAAHEVPZKUCFC-UHFFFAOYSA-N 388.536 2.900 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc1OC 7458860 HBIIPEUGFQSOJW-UHFFFAOYSA-N 399.378 2.650 0 40 GFAB Cc1cc(C)c(C(=O)COC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1C 7652563 SOAMHGCLNJJMDQ-UHFFFAOYSA-N 380.400 2.855 0 40 GFAB CCCCS(=O)(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 8038078 BXJKRTSRWNYSAI-HNNXBMFYSA-N 387.548 2.983 0 40 GFAB CCOc1cc2c(cc1/C=C/C(=O)N1CCN(c3ncccn3)CC1)O[C@H](C)C2 8112579 GRNRPIXWPAOTMJ-SQRWCISFSA-N 394.475 2.561 0 40 GFAB COCCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccncc1 8372492 WDYKAFASRBQRTQ-UHFFFAOYSA-N 397.504 2.703 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)NCCCn3nc(C)cc3C)n2C)cc1 8704867 QQQWNPFBTWWVHM-UHFFFAOYSA-N 398.536 2.902 0 40 GFAB COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 8729429 NBTCFMDWLQGGEH-UHFFFAOYSA-N 396.852 2.667 0 40 GFAB O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)NC1CC1 8852236 LBIAZRMPTCQREL-UHFFFAOYSA-N 385.537 2.683 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)N2N=CC=C[C@H]32)cc1 9088353 HDJVVYZNPLXMGE-WTGUMLROSA-N 385.423 2.592 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1 9154341 HRDNVDWIIFNIGZ-UHFFFAOYSA-N 387.823 2.653 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)C1 9154932 ZFDPSBUMXCYFJJ-RYUDHWBXSA-N 376.881 2.750 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O)N1CCCCC1 9972464 SXXKPBHKEYKQOM-WJDWOHSUSA-N 388.445 2.507 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(c2ccccc2F)CC1 10327596 KENYOPQNCZHUNA-UHFFFAOYSA-N 391.830 2.775 0 40 GFAB Cc1nn2c(=O)cc(CSc3nnc(N)s3)[nH]c2c1-c1ccc(F)cc1 10338934 GUJHYKNIAATAER-UHFFFAOYSA-N 388.453 2.863 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 10444733 IKLGEXRJAPFVSI-UHFFFAOYSA-N 386.473 2.581 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10927868 DWPVJDBLGJRQPT-UHFFFAOYSA-N 380.187 2.541 0 40 GFAB COc1cccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 10970982 ABIHZJGELAKHDA-AWEZNQCLSA-N 381.432 2.531 0 40 GFAB COc1cc(Cl)c(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1OC 11101937 XFYMQZQEERWSRR-UHFFFAOYSA-N 399.838 2.864 0 40 GFAB CCc1nc(O)c2nnn([C@H]3CCCN(C(=O)[C@@H](C)c4ccc(C)cc4)C3)c2n1 12119487 OSDAJFAFCITAQG-HOCLYGCPSA-N 394.479 2.765 0 40 GFAB COc1cc(C(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)ccn1 12161654 RJDKSZAKLWDUCD-MRXNPFEDSA-N 381.436 2.823 0 40 GFAB COc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(OC)c1OC 12428192 SIJAESGGSVQKIX-UHFFFAOYSA-N 395.415 2.929 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O 12532165 KTNKQSNKLHZYMR-UHFFFAOYSA-N 387.871 2.810 0 40 GFAB CN(Cc1ccccc1N1CCCCC1)S(=O)(=O)c1ccc(C(N)=O)cc1 12554117 CCNWSBSMYNSVJA-UHFFFAOYSA-N 387.505 2.597 0 40 GFAB O=C1Cc2cc(S(=O)(=O)N(Cc3cccs3)C[C@H]3CCCO3)ccc2N1 12945922 CUKNWTBHURFJIH-CQSZACIVSA-N 392.502 2.613 0 40 GFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1 12998985 AHPKMJJSNXUJFM-OAHLLOKOSA-N 382.869 2.561 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)cc1 13098982 FDCMWKIEGBOSMO-UHFFFAOYSA-N 387.411 2.511 0 40 GFAB CN1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)CC1 13562996 OODMPAKHPSLNTJ-UHFFFAOYSA-N 392.459 2.621 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]4C2=O)no1 13629653 VJQRWGXSYACNSR-NVQRDWNXSA-N 385.807 2.562 0 40 GFAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Oc2ccccc2)cc1 14019117 VOJKWVMLIQRYKZ-UHFFFAOYSA-N 379.460 2.972 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1Cl 16692489 JQRJUDPMJVIHDY-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc1 16849678 JEKCYBDSMNLQKE-UHFFFAOYSA-N 395.463 2.851 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC1CCCC1)CC1(CCN(C)CC1)O2 19218416 RLXNOCMDVMBPEF-QGZVFWFLSA-N 399.535 2.741 0 40 GFAB Cc1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(C2CC2)o1 19567797 JSCVMVMQPZDVGG-MRXNPFEDSA-N 382.464 2.727 0 40 GFAB C[C@@H](NC(=O)C1CCN(CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2 19654769 PZDXCAIHQZDHRB-QGZVFWFLSA-N 395.503 2.985 0 40 GFAB CC(=O)N[C@@H]1CN(C)C2(CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)C1 19704169 OJXDYXLUCZSGRP-IBGZPJMESA-N 379.508 2.631 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)NCCCc1nc2ccccc2n1C(C)C 19715958 JBJRSMXTGNCZDC-UHFFFAOYSA-N 375.498 2.868 0 40 GFAB Cc1nn(C)cc1-c1csc(NC(=O)c2ccc(N3CCOCC3)cc2)n1 19717334 SQFAWBZKTHSYGD-UHFFFAOYSA-N 383.477 2.941 0 40 GFAB C[C@@H](c1cc(=O)[nH]c(N[C@H](C)c2cccnc2)n1)n1ncc2ccccc2c1=O 19717542 CWLBIJXLDWJTNB-KGLIPLIRSA-N 388.431 2.657 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)nc2c1CCCN2C 19752637 UPVKPNRPOWRDAK-QGZVFWFLSA-N 380.492 2.952 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 20017654 ZTLISXNYJBRFHB-SNVBAGLBSA-N 382.379 2.845 0 40 GFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N1CCCCCC1)=C2C 20063908 OQDNZKSVOVQCBQ-UHFFFAOYSA-N 394.493 2.617 0 40 GFAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1CN(Cc1ccccc1Cl)CN2 20572572 QJEBSZHXVCNFAF-UHFFFAOYSA-N 396.878 2.818 0 40 GFAB COc1cccc(C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)c1OC 20950263 BMZQZPQZQUXPSJ-INIZCTEOSA-N 376.478 2.569 0 40 GFAB Cc1ccc(C)c(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 21707534 IQMNMCXSLYQTRT-UHFFFAOYSA-N 388.489 2.522 0 40 GFAB CC(=O)Nc1ccc(OC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 22572619 DTZJWJKXARYPAS-UHFFFAOYSA-N 380.400 2.935 0 40 GFAB CN1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccsc2)CC1 22765431 GFCWKLMVXCVOTA-SFHVURJKSA-N 393.940 2.885 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CCn3nc(-c4cccs4)oc3=O)ccc21 23055200 HALCRSCIHQHQNH-UHFFFAOYSA-N 398.444 2.503 0 40 GFAB COc1ccc(N2N=N[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]32)cc1OC 23125741 HAAMMCZJCZLDNF-QZTJIDSGSA-N 380.404 2.818 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1)[C@H]1CCCO1 25462996 KGHCPVHMNSVLTQ-LJQANCHMSA-N 399.516 2.824 0 40 GFAB COc1ccccc1C(=O)NCC(=O)NCc1ccc(OCC(F)(F)F)cc1 27184056 BZKXBDIJHHTSKT-UHFFFAOYSA-N 396.365 2.683 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 32841832 QWSDOUXDPJFZAO-DNVCBOLYSA-N 384.455 2.556 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N[C@@H](C)c1ccccc1 32876638 MINKDSCWSAILED-NYHFZMIOSA-N 377.444 2.863 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)nc1n2CCN(C)C1 36354415 BAZPEPNYURDXSZ-HXUWFJFHSA-N 394.431 2.780 0 40 GFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619221 XIHUIPCLACMRED-LLVKDONJSA-N 393.426 2.772 0 40 GFAB CCOC(=O)Nc1cccc(OC(=O)CCc2c(C)nc3ncnn3c2C)c1 39969512 VEBQGWBCASJMBO-UHFFFAOYSA-N 383.408 2.848 0 40 GFAB COc1ccc(OCCNC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1 39995642 GGGSZMTZZUGSHM-IBGZPJMESA-N 388.439 2.784 0 40 GFAB Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)s1 42316629 BLOUVFZZPHPNLC-ONEGZZNKSA-N 385.850 2.957 0 40 GFAB CN1N=C(C(=O)Nc2ccc(Br)cc2Br)CCC1=O 48387826 QAFMQIGYESSILW-UHFFFAOYSA-N 389.047 2.758 0 40 GFAB CCOCc1ccccc1CNC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O 54366595 TYTRUXRDALMJIR-UHFFFAOYSA-N 392.459 2.536 0 40 GFAB O=C(NCCSCc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1 54541628 LJABNYUTLIDYGI-INIZCTEOSA-N 378.519 2.559 0 40 GFAB CCN(CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1)Cc1ccccc1 57414186 LHSVTRBGEPLGPO-HXUWFJFHSA-N 379.460 2.990 0 40 GFAB CCOC(=O)c1cc(NC(=O)c2ccc3nccn3c2)cc(C(=O)OCC)c1 57780391 DEKFJYUIHQEBMV-UHFFFAOYSA-N 381.388 2.940 0 40 GFAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1cccc(Cl)c1 58245876 FCPWUZGQIDDFCH-UHFFFAOYSA-N 378.881 2.770 0 40 GFAB NC(=O)[C@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccc1 58269175 JZIVASMOYVVAPN-MRXNPFEDSA-N 379.229 2.864 0 40 GFAB CCN(C(=O)c1sc2nc(C3CC3)nc(C)c2c1C)[C@H]1CCS(=O)(=O)C1 58405827 NYZRZZZNHCFHAS-ZDUSSCGKSA-N 393.534 2.835 0 40 GFAB Cc1cccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1 67316743 YQRUTNUIZAFJIH-UHFFFAOYSA-N 395.434 2.840 0 40 GFAB CC(C)c1nccc(C(=O)N2CCn3nc(-c4nc5ccccc5[nH]4)cc3C2)n1 67515305 LUNYYHDEUVACGJ-UHFFFAOYSA-N 387.447 2.996 0 40 GFAB C[C@H]1CN(c2nccc(CN3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@H](C)O1 72348158 FFVWDYBAQAAGGR-ROUUACIJSA-N 399.514 2.547 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 72390766 RUBDUIZSCNFHGY-JXFKEZNVSA-N 380.492 2.952 0 40 GFAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1OCC(N)=O 72405982 HGAVHBIYCQJZIU-MRXNPFEDSA-N 390.465 2.928 0 40 GFAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)NCc4c(C)noc4C)C3)nc2)n1 77100768 NVPSXPMGFZDAHY-INIZCTEOSA-N 396.451 2.578 0 40 GFAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccnc2)C1 77200265 RVZUVIJZVOXILN-HZPDHXFCSA-N 375.450 2.920 0 40 GFAB C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 78534396 NRYHIONIPONFPW-PBHICJAKSA-N 375.538 2.501 0 40 GFAB O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 84501893 OMEKZOHMKYJEEU-VHDGCEQUSA-N 387.423 2.987 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2cc(OCC(F)F)ccn2)N(C)C)cc1 95465720 XRPQCEURVBRAKG-QGZVFWFLSA-N 379.407 2.767 0 40 GFAB COCCn1ccc2ccc(C(=O)Nc3cccc(-c4nnn(C)n4)c3)cc21 95475412 DEJCRTHSMJDBEI-UHFFFAOYSA-N 376.420 2.731 0 40 GFAB NC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)n1 95972201 HIPAHGQIFASWDD-UHFFFAOYSA-N 390.378 2.548 0 40 GFAB CC(C)c1nc(S(=O)(=O)N[C@H]2CCCc3cn(CC(F)(F)F)nc32)c[nH]1 96002789 QJRZAOLYEYCUHQ-NSHDSACASA-N 391.419 2.648 0 40 GFAB Cc1cc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)c(C)o1 96096329 ULDKVMJCLCIHSW-UHFFFAOYSA-N 394.475 2.632 0 40 GFAB Cc1ccc(OC2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)nn1 96119393 QGLNHYZOGIVXNI-UHFFFAOYSA-N 377.448 2.963 0 40 GFAB Cc1cc(C(=O)N2CC[C@@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)c(C)o1 96226129 VHVYKHOTESZZFZ-HXUWFJFHSA-N 382.420 2.600 0 40 GFAB O=C(c1ccn(C(F)F)n1)N1[C@H]2CC[C@H]1CC(O)(c1ccc3c(c1)OCO3)C2 100773887 JEWOWJUDTOCDRT-STQMWFEESA-N 391.374 2.662 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102768585 GAZBRVICKGDTDV-CALCHBBNSA-N 398.459 2.551 0 40 GFAB CN1CCCc2ccc(S(=O)(=O)N3C[C@@H](N(C)C)Cc4ccccc43)cc21 107076238 XDDBKILIJNWMLS-SFHVURJKSA-N 385.533 2.751 0 40 GFAB CCN1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 107889891 ZZMVKWNVKIZLKV-MJGOQNOKSA-N 383.458 2.899 0 40 GFAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC(C)C 217513499 MSVBLMMJKMPEIT-UHFFFAOYSA-N 386.514 2.936 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCC(C)(C)C 225230211 WQXIEZHWJLEGLP-UHFFFAOYSA-N 385.555 2.812 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1[C@H]2CC[C@H]1c1cncnc1C2 239808024 KESLHLGWQPIQID-KWQFWETISA-N 386.296 2.751 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257282833 OVMKWJMXIAJFLY-INIZCTEOSA-N 385.439 2.733 0 40 GFAB CCn1cc(NC(=O)CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C)c(C)n1 257334017 YEEATEMIBWRYIV-SFHLNBCPSA-N 381.524 2.570 0 40 GFAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408555377 WXCFRKAENVDMJR-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB CCn1ncc(NS(=O)(=O)c2ccc(C(=O)O)c(C)c2)c1C(F)(F)F 507986619 UVJVCZKRANXABM-UHFFFAOYSA-N 377.344 2.729 0 40 GFAB CC(C)Oc1ccc(CNC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1 521297009 JPSJPYOCUNQBGY-UHFFFAOYSA-N 383.492 2.685 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)N2CCC(C)(N3CCOCC3)CC2)n1 527823704 WTKRQNWRLOLVFZ-UHFFFAOYSA-N 397.523 2.577 0 40 GFAB Cc1c(Cl)cccc1N1CCCN(c2ccnc(N3CCOCC3)n2)CC1 570352332 WXCUZYAIRTWFKT-UHFFFAOYSA-N 387.915 2.992 0 40 GFAB Cn1cc2c(n1)CCC[C@@H]2NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 585080057 ZFRFCZMQTODRJQ-SFHVURJKSA-N 384.455 2.605 0 40 GFAB CCOc1cc(CNc2ccc(C(=O)NCCC(N)=O)cc2)c2c(c1)C[C@H](C)O2 585085690 AIGDRWIVZCAXSS-AWEZNQCLSA-N 397.475 2.626 0 40 GFAB CN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3cn(C)nc3C(F)F)ccc21 585106365 FFJFGNFFCYJANW-UHFFFAOYSA-N 390.390 2.635 0 40 GFAB O=C(C1CC(O)C1)N1CC[C@@H](OCC2CCOCC2)[C@H](Cc2ccccc2)C1 585113422 DWNPZRCWHQYCHZ-JYAXOCDNSA-N 387.520 2.660 0 40 GFAB O=C(NCCc1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H]1CN1CCOCC1 608657215 HMBFWKOCNZALBH-QGZVFWFLSA-N 390.915 2.870 0 40 GFAB Cc1sc(NC(=O)[C@@H]2CC[C@@H](C(=O)O)NC2)nc1-c1c(F)cc(F)cc1F 657210239 CMRLLPINDFPCNJ-PELKAZGASA-N 399.394 2.927 0 40 GFAB O=S(=O)(NC[C@H]1CCCN(c2cc(Nc3ccccc3)ncn2)C1)C1CC1 663912432 LVHQFZJDXRTOTR-OAHLLOKOSA-N 387.509 2.518 0 40 GFAB C[C@@H](NC(=O)NCc1nnn(C(C)(C)C)n1)c1ccc(N2CCCCC2=O)cc1 685938883 UXSVCQSJZHDSHU-CQSZACIVSA-N 399.499 2.505 0 40 GFAB CCc1ncnc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)c1F 1888897181 FAYJJXRNNBMTPG-UHFFFAOYSA-N 383.475 2.845 0 40 GFAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 2037916188 UBPHOLGVQDESCA-SFHVURJKSA-N 397.397 2.989 0 40 GFAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CC2(C[C@H](N3CCOCC3)CS2)C1 2056225200 HIWJXLYWMRZDGK-AZRLCKCBSA-N 391.581 2.557 0 40 GFAB CCOC(=O)CC(=O)Nc1cc2ccc(OC)c(OC)c2cc1C(=O)OCC 1563926 YFTRRGDHKCKQMD-UHFFFAOYSA-N 389.404 2.925 0 40 GFAB COC(=O)[C@@](NNc1ccccc1)(NC(=O)c1ccc(F)cc1)C(F)(F)F 2050527 GHKYGLGCLWTXTK-INIZCTEOSA-N 385.317 2.604 0 40 GFAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 2118552 BNPFRVJBHBPBCJ-IBGZPJMESA-N 391.471 2.683 0 40 GFAB biogenic COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 2205930 KFRCRHKTJRJHRD-GOSISDBHSA-N 381.384 2.699 0 40 GFAB CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 2634948 AHZTWONASXLBFC-UHFFFAOYSA-N 383.835 2.528 0 40 GFAB Cc1cc(Br)cc(C)c1NC(=O)c1cnc2n(c1=O)CCS2 4089046 KBHBPVLOZZBJPI-UHFFFAOYSA-N 380.267 2.981 0 40 GFAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2 4112822 QVMVBPAPBMXUBR-BVIHXZOGSA-N 388.489 2.967 0 40 GFAB CC(C)(C)c1ccc(OC[C@H](O)CNS(=O)(=O)Cc2ccccc2)cc1 4700380 SHJYERCVBCWPBT-GOSISDBHSA-N 377.506 2.843 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)NC1CCCCC1 4704345 XTWVEXMUEJYYOW-APWZRJJASA-N 388.508 2.752 0 40 GFAB CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OC)cc1 4717283 SJFXVNVASQFRFP-GHMZBOCLSA-N 388.371 2.628 0 40 GFAB COc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1 4995605 BLXHXAFCMQLXQP-UHFFFAOYSA-N 376.478 2.663 0 40 GFAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)NC12CC3CC(CC(C3)C1)C2 5342259 NZFYOSRVXDHWOI-GYVBGXKYSA-N 395.503 2.625 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CSCCS2)ccc1C 5938902 SSMBYSWHYZQKLG-CQSZACIVSA-N 388.580 2.813 0 40 GFAB Cc1cnc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cn1 6083239 BUBLCRSQAKALRX-UHFFFAOYSA-N 390.399 2.696 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)nc2n1 6281426 GHUZSYFOJXFUAS-UHFFFAOYSA-N 394.218 2.843 0 40 GFAB CCn1cc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(=O)c2ccc(C)nc21 6635187 NHETWUDNASELCC-UHFFFAOYSA-N 383.379 2.659 0 40 GFAB O=C(CCNC(=O)c1ccc(Br)cc1)OCC(=O)c1ccccc1 6645972 OUNDOACHTQHELI-UHFFFAOYSA-N 390.233 2.995 0 40 GFAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)s1 6679609 FYCSQPSKMRHGTE-UHFFFAOYSA-N 386.524 2.507 0 40 GFAB COc1cc(OC)cc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2N)c1 6868227 UFFJWCRCMDSSTN-UHFFFAOYSA-N 378.392 2.892 0 40 GFAB O=C(NC1CCCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 7653896 YJETUNDAFJRJPG-QGZVFWFLSA-N 390.530 2.923 0 40 GFAB C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NCc1ccccc1Cl 7856692 VLWXLTAWTYYYGP-GFCCVEGCSA-N 395.864 2.605 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7969582 BSGQXJOOEJSKMN-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB COc1ccc(CNC(=O)COC(=O)CCOc2ccc(C)cc2)cc1OC 8008417 VYTQMWCEIQVKIU-UHFFFAOYSA-N 387.432 2.641 0 40 GFAB COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc(C(C)=O)c1 8415570 DYVQLBQQMVBBHP-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB C/C(Nc1cccc(N(C)C)c1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 8974519 YSEOSMMNHLCLCP-NBVRZTHBSA-N 378.432 2.717 0 40 GFAB Cc1cccc2nc(CNc3ccccc3C(=O)NC[C@H]3CCCO3)cc(=O)n12 9603472 QGKDHISVBOWBMO-QGZVFWFLSA-N 392.459 2.524 0 40 GFAB O=C(Cn1c(CO)cnc1SCc1ccc(C(F)(F)F)cc1)NC1CC1 9827503 AXJAWFUDTIRYSH-UHFFFAOYSA-N 385.411 2.965 0 40 GFAB CCc1cc2c(=O)n(CCCOC)c(S[C@@H](C)C(=O)N(C)C)nc2s1 11774428 CWCYSERTWUYJEC-NSHDSACASA-N 383.539 2.626 0 40 GFAB CC(C)n1c(=O)n(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c2cccnc21 12117492 DDZWTVXAHQQKAE-UHFFFAOYSA-N 382.420 2.925 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2cc(F)ccc2F)n1 12160913 OFWNTOTYPDBNLO-HTZLVSCSSA-N 389.446 2.778 0 40 GFAB CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)c4ccccc4F)C3)c2n1 12220507 RUXWJKLVAVFKLS-CYBMUJFWSA-N 398.442 2.742 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)COc3ccccc3F)CC1)O2 12225808 KOOBYTSASJKJHW-UHFFFAOYSA-N 398.434 2.697 0 40 GFAB COCCOc1cc(CN2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)ccc1OC 12252024 LHTSPDYUIIYRMI-NQIIRXRSSA-N 382.460 2.955 0 40 GFAB CCc1nc(N2CCOCC2)ncc1C(=O)N1CCn2c(C)ccc2[C@H]1C(C)C 12290516 VKAOQFKECJKKGQ-HXUWFJFHSA-N 397.523 2.839 0 40 GFAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)N1CCNC1=O 12777164 SFBMISFCXBESNW-SSDOTTSWSA-N 392.047 2.531 0 40 GFAB CC(C)C(=O)Nc1cccc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)c1 13011966 SWZWCCOWPDUUDK-UHFFFAOYSA-N 395.381 2.778 0 40 GFAB COc1cc(C)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 13042440 HTHJXHHVIYPLGM-UHFFFAOYSA-N 392.477 2.708 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)c3nonc3C)c2-c2cccs2)on1 13226745 MOGIPFLRANUAFI-UHFFFAOYSA-N 384.421 2.696 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 14138723 HYTAMKJKILAEJO-ZIAGYGMSSA-N 385.489 2.553 0 40 GFAB CCC(CC)NC(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 14198831 IOVRYNKZLUEOJY-UHFFFAOYSA-N 385.493 2.814 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)nc2)cc1 16206562 PDWGDFRPDTYTPD-UHFFFAOYSA-N 377.466 2.763 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 18149017 UUHJGHWEPWMUAE-ZDUSSCGKSA-N 389.452 2.524 0 40 GFAB COc1cc(C(=O)N2CCC[C@@H](c3nc(C)cc(O)n3)C2)cc(OC)c1OC 19117759 OKQSYZTWYFZEIE-CYBMUJFWSA-N 387.436 2.536 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19234572 NKPHVJAVUYSGSZ-ORGXJRBJSA-N 396.418 2.516 0 40 GFAB CCOc1ncccc1C(=O)N1CCc2nc([C@H]3CCCCN3C)ncc2C1 19531519 FWCGOUJBIDMCIQ-GOSISDBHSA-N 381.480 2.626 0 40 GFAB COc1ccc(CN(Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)cc1 19554824 FNRUVFAZGGOKCC-NRFANRHFSA-N 398.507 2.503 0 40 GFAB COc1ccccc1N1CCN(C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 19571209 LEPNJXLFGQSOEE-IBGZPJMESA-N 384.476 2.712 0 40 GFAB COc1cc(C)ccc1CN1CCO[C@@H](c2ncncc2-c2noc(C)n2)C1 19693776 QGXXFJSADFIYBI-GOSISDBHSA-N 381.436 2.726 0 40 GFAB Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)ccc1F 19711124 OVPKBGKVRXYYFF-GOSISDBHSA-N 399.514 2.900 0 40 GFAB CC(=O)N[C@@H]1CCO[C@H](c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 19711879 MRZMUFBLQUJLML-MJGOQNOKSA-N 392.452 2.983 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1ccn(-c2ccc(OC)cc2)c(=O)c1=O 20488965 OLGIKMMMLXRSJL-UHFFFAOYSA-N 393.443 2.517 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@H]1c1ccc(C(=O)OC)cc1 20719995 HXXLJHIJTRRXGM-GOSISDBHSA-N 381.388 2.648 0 40 GFAB C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 22287258 HPUJSSJSFWYASP-CHWSQXEVSA-N 394.459 2.872 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccsc3)ccc21 22538722 MMKKMUFYOAUDEI-UHFFFAOYSA-N 379.459 2.500 0 40 GFAB CCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(C)c(C)c3)c2c1=O 22768190 ISQFDALTUFJCCY-UHFFFAOYSA-N 379.464 2.603 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2cccs2)N2CCOCC2)cc1 23181812 OESLHSHWMJLNRQ-MAUKXSAKSA-N 380.535 2.797 0 40 GFAB COc1cc(NC(=O)COC(=O)Cc2coc3cc(O)ccc23)cc(OC)c1 23636108 GUIOWTFQEOMNLY-UHFFFAOYSA-N 385.372 2.880 0 40 GFAB CCOc1ccc(-n2ncc(C(=O)N[C@@H]3CCOc4ccccc43)c2C)nn1 23693797 BYZVJXFCZIWYFO-MRXNPFEDSA-N 379.420 2.623 0 40 GFAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NC[C@@H]1CCCO1 27937287 YOKVOMVGVFTNFZ-VIFPVBQESA-N 396.207 2.837 0 40 GFAB Cc1cccc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)n1 27973415 MHAMHDGAVOIGAY-UHFFFAOYSA-N 389.257 2.920 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nc3ccccc3s2)CC1 30002629 FPGGVOBMZDMRKD-UHFFFAOYSA-N 381.457 2.983 0 40 GFAB CCOC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nc1 31565652 AEPQYYYNTZMGFF-UHFFFAOYSA-N 397.475 2.548 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2Cl)C1 32609961 JNQAHZOLDYGIGH-SECBINFHSA-N 395.706 2.713 0 40 GFAB O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c1 32885512 IRKOJDKNTKNBJO-UHFFFAOYSA-N 387.413 2.561 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32909324 YRXMEDKBIAHNHL-PXNSSMCTSA-N 396.443 2.716 0 40 GFAB O=C(Nc1cccc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)c1)NC1CC1 32939809 GHVGDLGUXXJMOK-UHFFFAOYSA-N 397.826 2.852 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 39995611 CGZNGZUNAGCKKP-ROUUACIJSA-N 394.475 2.608 0 40 GFAB CC(C)CC[C@H](C)NC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 40159410 JXIOIQDITSIULY-ORAYPTAESA-N 377.510 2.931 0 40 GFAB NC(=O)Cc1ccccc1NC(=O)c1ccccc1I 42372780 DYPLBJYQVPIGQY-UHFFFAOYSA-N 380.185 2.571 0 40 GFAB CCOc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44911344 HZGHZUDEPHHXPO-GOSISDBHSA-N 390.461 2.641 0 40 GFAB COc1cc(CNC(=O)Nc2ccccc2SCC(N)=O)cc(OC)c1 47516562 WTDGQQINZWZHAL-UHFFFAOYSA-N 375.450 2.603 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)COc1cccc(S(C)(=O)=O)c1 48270570 XETOSOMDMDKOCH-AWEZNQCLSA-N 377.462 2.663 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(NC(N)=O)ccc2Cl)cc1 48324458 OYWKFURLMBTDCU-UHFFFAOYSA-N 397.840 2.808 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2CCCCCCC2)c1C 50509091 ZXQABRSDECWEEG-UHFFFAOYSA-N 381.542 2.758 0 40 GFAB COc1ccc(-c2noc(CN3CCN(c4nccs4)CC3)n2)cc1OC 57364734 IOPGKJNCKQIZPK-UHFFFAOYSA-N 387.465 2.533 0 40 GFAB CCOC(=O)c1cc2cc(NC(=O)N3CCN(C(C)=O)CC3)ccc2s1 58157167 KXXAUWVBBSMWOH-UHFFFAOYSA-N 375.450 2.774 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NC(C)(C)c2ccc3c(c2)OCO3)CC1=O 60241406 DLMFMXSKVKRSCF-AWEZNQCLSA-N 396.443 2.828 0 40 GFAB Cn1nc(Br)c2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 60363096 BNWDNEMDKCCGEJ-JTQLQIEISA-N 382.649 2.925 0 40 GFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 67081212 GSEBYPACXOOUJX-SQWLQELKSA-N 375.469 2.608 0 40 GFAB O=C(NCC1CCN(c2cnccn2)CC1)c1ccccc1Br 70930523 LLDHFSPBIDSECJ-UHFFFAOYSA-N 375.270 2.886 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)c(C)c1 70968226 BBUSFGQURJCUDR-HXUWFJFHSA-N 388.489 2.530 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(F)cc1F)CC(O)=N2 71282494 FUAPLDZRVVXTDQ-WCQYABFASA-N 381.404 2.953 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380678 UJKCFXATQZCIIT-HNNXBMFYSA-N 399.495 2.636 0 40 GFAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Oc2ccc(F)cc2)n1 72384132 JFHFJNLAHIVHRN-QGZVFWFLSA-N 386.427 2.906 0 40 GFAB O=C(CCc1ccccc1Br)NC[C@H]1CN2CCCC[C@@H]2CO1 89813883 JWEYFBSCHUFBGO-CVEARBPZSA-N 381.314 2.751 0 40 GFAB Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CS2 90609568 FFRFVERLEALSIK-SNVBAGLBSA-N 385.367 2.811 0 40 GFAB CC(C)(C)OC(=O)N1CC(CNC(=O)OCc2ccccc2)(CC(=O)O)C1 95627028 KSLHOXMJJWGNLY-UHFFFAOYSA-N 378.425 2.625 0 40 GFAB Cn1ccnc1-c1sc(NC(=O)c2cc(C(N)=O)c[nH]2)nc1-c1ccccc1 95963981 JSHFOLFLTPRFDE-UHFFFAOYSA-N 392.444 2.890 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(OC)c1ccccc1F 96123591 YLOMCDPZMXQJED-MRXNPFEDSA-N 387.454 2.514 0 40 GFAB Cc1cccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)c1 96243603 YMZOCPALGMDXEP-HXUWFJFHSA-N 394.519 2.608 0 40 GFAB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(Cl)cc1 96518233 FQRZDIPXIWKQEE-VIFPVBQESA-N 393.029 2.895 0 40 GFAB CCc1nc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)sc1C 97531505 HOHZXVOBQMBJQV-MRXNPFEDSA-N 398.488 2.604 0 40 GFAB Cc1cnc(C(=O)N2Cc3nc4c(-c5ccccc5)c(C)nn4c(O)c3C2)cn1 100215272 JJKROJVQYKDKCC-UHFFFAOYSA-N 386.415 2.665 0 40 GFAB O=C(N[C@@]12CC[C@@H](OC(=O)c3ccccc3)[C@H](SC1)[C@H]2O)c1ccccc1 100468922 KTLCCBNUTRMVBR-IIMDRIAPSA-N 383.469 2.651 0 40 GFAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccccc3C)C1=O)CC2 102332000 UYRMVBLHWVYWCF-SFHVURJKSA-N 380.444 2.702 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 103129662 TZMUYNJNDKHEHK-TXEJJXNPSA-N 380.347 2.512 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N(CCO)CCO 118915693 IEQZBQLFRAVFHT-MHYDGWTMSA-N 377.569 2.965 0 40 GFAB in-vitro COC[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218464515 JOKFNCKTRSNNSX-RYRKJORJSA-N 380.849 2.997 0 40 GFAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(OC)cc1 222421014 ARTAREMWEPXEJP-SFHVURJKSA-N 376.478 2.972 0 40 GFAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224050515 RBOQROCVDPZFGT-QGZVFWFLSA-N 384.476 2.670 0 40 GFAB Cc1cc(O)c(C2=Nc3ncnn3[C@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 227173334 XJXOSYSZHONSFB-ZDUSSCGKSA-N 388.330 2.961 0 40 GFAB CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408597298 UTIRIMXHRHKWBF-LBPRGKRZSA-N 376.906 2.712 0 40 GFAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N1 408613681 ZHTHOHXZROOVRT-MRXNPFEDSA-N 394.493 2.849 0 40 GFAB COC(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2cc(Br)ccc21 409137703 YIXWDSOYCUTJMZ-QCDXTXTGSA-N 395.234 2.901 0 40 GFAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)N2NC=NC2=N1 409378464 PPDLKVSSETYXFY-INIZCTEOSA-N 397.822 2.533 0 40 GFAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CCN(C2CCC2)C1 515114762 ATGQMZZTMYCYNQ-SFHVURJKSA-N 385.556 2.817 0 40 GFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOC[C@@H]2c2cccc(F)c2)c1 585091885 AQAJCNWOCDZLAH-GOSISDBHSA-N 392.452 2.855 0 40 GFAB C[C@@]1(C(=O)N2CCN(c3ncnc4ccsc34)CC2)COc2ccccc2O1 625786572 KLTDBIOHOCVSNS-FQEVSTJZSA-N 396.472 2.570 0 40 GFAB Cc1cc2c(N3CCN(Cc4ccc5oc(=O)n(C)c5c4)CC3)ncnc2s1 639085467 XPWKSUGABJMHKD-UHFFFAOYSA-N 395.488 2.767 0 40 GFAB C[C@@H](c1ccccc1)n1cc(NC(=O)N2CCC3(CCN(C)C3=O)CC2)cn1 646448291 WLJKDWRAHVFLNO-INIZCTEOSA-N 381.480 2.969 0 40 GFAB Cn1cc(C(=O)NCCN2CCOC(C)(C)C2)c(-c2ccc(Cl)s2)n1 682806294 YEQRHCAGRKDIFD-UHFFFAOYSA-N 382.917 2.643 0 40 GFAB O=C(CCOc1ccccc1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156659 JRBGFICWGTVMCS-QHCPKHFHSA-N 394.471 2.880 0 40 GFAB O=C(Cc1cccs1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615159891 QGGMSEBPALOQTN-FQEVSTJZSA-N 388.464 2.854 0 40 GFAB CC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595023 QLHMSKCPYYROHG-ZHHKINOHSA-N 388.552 2.873 0 40 GFAB O=C(CCc1ccccc1Br)N[C@@H]1CCN(C2CCOCC2)C1 1888864169 FIYZPRNQEYAATG-OAHLLOKOSA-N 381.314 2.751 0 40 GFAB Cc1nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)c2ccncc2n1 1888882147 JENRXTYPJCMIGT-UHFFFAOYSA-N 375.480 2.944 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cccc(N(C)C)c5)C[C@@H]4C3)n1)CCC2 1888890235 OWWYHGKQOVNEJS-ROUUACIJSA-N 391.519 2.548 0 40 GFAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCc3ccccc3)CC2)cc1 2037928461 JOWOXMTVVYYWPE-QHCPKHFHSA-N 382.504 2.907 0 40 GFAB C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCc5ccccc54)c(=O)c23)C1 1331995 KZDCYWLBXOSNGK-LBPRGKRZSA-N 380.473 2.567 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H]1C[C@H](O)c1cccs1 79045428 RVJRVNHARVAPLR-PBHICJAKSA-N 383.473 2.573 0 40 GFAB C[C@H]1CCCN(C(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)C1 4973405 DIIAUYYRLXBGJU-ZDUSSCGKSA-N 382.489 2.715 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)c(OC)c1 6367504 MZSXXWNUBMZFNE-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 7986686 ZCOACJLHTBASNY-UHFFFAOYSA-N 398.484 2.886 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C)CC1 23242115 NRQVQKUCPGXVAG-INIZCTEOSA-N 386.323 2.958 0 40 GFAB CC(C)(CNC(=O)c1cccc(NC(=O)c2cccs2)c1)N1CCOCC1 23994906 DEEQWGJOZJFHAN-UHFFFAOYSA-N 387.505 2.841 0 40 GFAB COc1ccc(Cc2cnc(NC(=O)CSc3nncn3C)s2)cc1 24826597 IWTCYHCOASWTAL-UHFFFAOYSA-N 375.479 2.602 0 40 GFAB CN(C)[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 106364123 HXXZBXUGIQUDGY-UONOGXRCSA-N 384.307 2.899 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1F 61720094 QFNPLQRSIOGABP-AWEZNQCLSA-N 388.418 2.824 0 40 GFAB C[C@@H](NC(=O)CCn1cncn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 55941720 KCDIDIPTLLRGLR-CQSZACIVSA-N 381.411 2.937 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22539429 UNYRTGPTRYOLQV-KBPBESRZSA-N 394.468 2.769 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(C2CC2)cs1 25562828 ZXIHLXIUMPXTND-UHFFFAOYSA-N 385.898 2.981 0 40 GFAB COc1ccc(-c2noc(COC(=O)c3c(C)cc(=O)oc3C)n2)cc1OC 26014375 AETJWJSVKPHMIU-UHFFFAOYSA-N 386.360 2.681 0 40 GFAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 12536275 RGKQLGVMWCZDCV-UHFFFAOYSA-N 394.518 2.664 0 40 GFAB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 100563753 HWABDGNIOJVAKM-IEBWSBKVSA-N 391.427 2.601 0 40 GFAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc2cn[nH]c12 44226527 ZJMLKYNPTNUHTM-UHFFFAOYSA-N 398.488 2.668 0 40 GFAB CC(C)Cn1c(-c2ccc(O)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 12525535 HGUTXCHHCRINPF-UHFFFAOYSA-N 390.443 2.963 0 40 GFAB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102319130 NAYFKERATFMCGJ-YMYJPDDMSA-N 388.489 2.823 0 40 GFAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCC(=O)N1CCCC1 57621726 PUDQGXCVMLZBLQ-FQEVSTJZSA-N 393.487 2.677 0 40 GFAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1nnc2ccccn12 26504777 UNEQFIWDGDZIMQ-UHFFFAOYSA-N 388.403 2.710 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1S(C)(=O)=O 58392125 KESRQGCGYUXXLF-UHFFFAOYSA-N 397.456 2.615 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC[C@@H]1CCCO1 3249473 LWCIYQJTWAHXOY-KRWDZBQOSA-N 395.488 2.717 0 40 GFAB CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C(C)C)C3 100234041 TXBYNQBBDJPUQI-GOSISDBHSA-N 385.512 2.911 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1nnc(-c2ccco2)s1 48261138 VTSJTSUPCSQTKW-UHFFFAOYSA-N 375.435 2.563 0 40 GFAB C[C@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(F)cc1 113957330 BAZGPSJDJUUXTJ-STQMWFEESA-N 382.432 2.997 0 40 GFAB Cn1nc(Br)c2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 60363097 BNWDNEMDKCCGEJ-SNVBAGLBSA-N 382.649 2.925 0 40 GFAB Cc1cc(C)n2nc(SCc3nc(N)nc(Nc4ccccc4C)n3)nc2n1 3332527 JLEXQIUIZOKDHX-UHFFFAOYSA-N 393.480 2.853 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 48332792 JIHMAPQQYLBXSI-HUUCEWRRSA-N 376.453 2.590 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c1 3403208 LUCXXOBUUQGPKX-KRWDZBQOSA-N 390.436 2.820 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3cccc4ncccc34)CC2)cc1 12986936 NCFXIGHWRSXXSQ-UHFFFAOYSA-N 375.428 2.842 0 40 GFAB CCOC(=O)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCC3 13692367 IXIGHBCUDYSRHH-UHFFFAOYSA-N 394.456 2.825 0 40 GFAB C[C@H](NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3)c1ccccc1 5009840 RMEKNIYTVIZPIF-OLZOCXBDSA-N 382.489 2.855 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ncccc2c1=O 14114054 JCSIMPRGPPWMOO-UHFFFAOYSA-N 382.445 2.745 0 40 GFAB COc1ccc(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1OC 14189178 OVRUDNAAHLVJGU-UHFFFAOYSA-N 395.459 2.753 0 40 GFAB CC(C)n1cnnc1SCC(=O)N(C)CC(=O)Nc1ccccc1Cl 9212805 ITZLDAYMWFJLBR-UHFFFAOYSA-N 381.889 2.702 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O)NCc1ccco1 409201695 NOIVWOCOJZZNMC-AUWJEWJLSA-N 392.820 2.991 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3ccc4c(c3)CCCC4)no2)cn1 96001753 XSRNJZBWZABAMH-SFHVURJKSA-N 393.447 2.563 0 40 GFAB Cn1cnnc1-c1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 67480743 PKLXYXRQTCDLLQ-IBGZPJMESA-N 389.459 2.654 0 40 GFAB CSc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1 23235756 MEMNIFDLGCABKO-UHFFFAOYSA-N 392.502 2.918 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCSc3ccccc32)C1=O 7719268 VCRBCDGCIKCORT-OAQYLSRUSA-N 395.484 2.983 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccccc1 8186977 CIKRTLFWXAVBLK-WMLDXEAASA-N 378.428 2.953 0 40 GFAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCc1nc2ccccc2[nH]1 96345206 IUXCDCSRDIPBKQ-UHFFFAOYSA-N 393.834 2.756 0 40 GFAB COc1cc(NC(=O)N2CCC[C@@H]2c2nncn2C)ccc1Br 95453513 RHWSJBIKPDBNQC-GFCCVEGCSA-N 380.246 2.955 0 40 GFAB COC(=O)c1cc(CNC(=O)c2cncn2-c2ccc(F)cc2)ccc1OC 18061578 LMYPQGDPQUFJQP-UHFFFAOYSA-N 383.379 2.737 0 40 GFAB O=C(CN1CC[C@@H](Nc2ccccc2)C1)Nc1ccc(N2CCOCC2)cc1 69950921 IGFGMHYGZWZLGC-HXUWFJFHSA-N 380.492 2.648 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2cccc(C)c2)s1 8748892 RMZODZAPHLGTKQ-UHFFFAOYSA-N 396.534 2.782 0 40 GFAB COc1c2c(c(CNC(=O)c3ccc(Cl)cc3)c3c1OCO3)CCN(C)C2 8765007 VBWPAUQJDCSZPY-UHFFFAOYSA-N 388.851 2.995 0 40 GFAB biogenic C[C@@H](OC(=O)c1cc(Cl)cc(Cl)n1)C(=O)Nc1ccc(C(N)=O)cc1 95466540 XHBQCNHSHXBIND-MRVPVSSYSA-N 382.203 2.671 0 40 GFAB CS[C@H]1CN(c2ncnc3c2cnn3-c2ccccc2)C[C@@H]1N1CCCC1 95946027 ZHMJKCIAZFWUBK-ROUUACIJSA-N 380.521 2.832 0 40 GFAB C[C@@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)n1c(=O)oc2ccccc21 9958993 GYWQHXAQFARBCF-LBPRGKRZSA-N 390.403 2.783 0 40 GFAB CN(Cc1ccccc1Br)C(=O)c1ccc(OCC(N)=O)cc1 23572844 NQIYJZRCIACVMR-UHFFFAOYSA-N 377.238 2.585 0 40 GFAB O=C(NCCCN1CCc2ccccc21)c1cccc(CN2CCOCC2)c1 110622559 IKOJGGWXCPCEPD-UHFFFAOYSA-N 379.504 2.701 0 40 GFAB CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)Nc1ccc(F)c(-n4nnnc4C4CC4)c1)C[C@@H]3C2 554266910 YMMPZQSATCWUPM-VCMWWZGJSA-N 398.442 2.566 0 40 GFAB O=C(Nc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)s1)c1ccco1 23701539 OFNHSYNMTSXIBD-UHFFFAOYSA-N 380.389 2.821 0 40 GFAB COc1ccccc1-n1c2nc(=O)[nH]c(=O)c-2cc2c(C)nn(-c3ccccc3)c21 41076625 UCSVLPSPXNGJDV-UHFFFAOYSA-N 399.410 2.682 0 40 GFAB O=C1C[C@H](c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)N2NC=NC2=N1 409378465 PPDLKVSSETYXFY-MRXNPFEDSA-N 397.822 2.533 0 40 GFAB CCOC[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CCO1 529056932 BQOXOJSFKCIXTO-NSHDSACASA-N 382.873 2.550 0 40 GFAB CN(C)c1cccc(C(=O)N[C@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)c1 77100814 WCOKJEUGAOZVKU-SFHVURJKSA-N 391.475 2.807 0 40 GFAB Cc1cn(-c2ncccc2F)nc1NC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 568384885 USNYTYHSFLIJBR-QGZVFWFLSA-N 399.470 3.528 0 40 GFAB O=C(COC(=O)Cc1ccc(F)cc1)NCc1ccccc1Br 72331080 STIUPIXGTSOLFR-UHFFFAOYSA-N 380.213 2.990 0 40 GFAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(F)c(F)c2)CC3)C[C@@H](C)O1 72347273 JSERPIVVJCDGFQ-CHWSQXEVSA-N 390.434 2.632 0 40 GFAB CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 40145553 KHRNUQSHROVJIO-OAHLLOKOSA-N 385.489 2.989 0 40 GFAB CO[C@@]1(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)CCC[C@H](C)C1 225635291 OSBUCMGWVPKRSY-UWJYYQICSA-N 376.497 2.931 0 40 GFAB CN(c1cccc(NC(=S)NCCCOC2CCCC2)c1)S(C)(=O)=O 225619683 OEXDHWFMGXBEIU-UHFFFAOYSA-N 385.555 2.718 0 40 GFAB COc1ccc(CCNC(=O)CCn2sc3ccccc3c2=O)cc1OC 40283947 OVDPRXPMQMYOMO-UHFFFAOYSA-N 386.473 2.829 0 40 GFAB Cc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 224406237 BWQKINDLACVWEN-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cn(C(C)(C)C)nn1 191504969 ZHTSTWIQDRLOBW-UHFFFAOYSA-N 391.541 2.626 0 40 GFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCSC3CCCC3)ccc21 225663481 NNAKZYDIVZURPN-UHFFFAOYSA-N 394.562 2.940 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCCN12 95483439 GJIOGOHEZHMFOV-HCXYKTFWSA-N 396.393 2.800 0 40 GFAB O=C(c1cnccn1)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 96243934 OKNLPVNWQWAQBO-UHFFFAOYSA-N 376.460 2.797 0 40 GFAB Cn1c2ccccc2c2c1cc(C(=O)NCC(C)(C)CO)n2-c1ncccn1 96146343 ORUVNHODCQBFQD-UHFFFAOYSA-N 377.448 2.661 0 40 GFAB O=C(c1cnccn1)N1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96242468 XJZHCYWWYZPJTN-UHFFFAOYSA-N 392.503 2.645 0 40 GFAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)CC[C@@]1(C)O 604382136 HEZAHMKVGGNLON-JAXLGGSGSA-N 381.476 2.599 0 40 GFAB biogenic,in-vitro O=S(=O)(/C=C/c1ccccc1)NCc1nnc2ccc(-c3ccsc3)nn12 253475227 QCQNOULJNYHLEY-PKNBQFBNSA-N 397.485 2.943 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390831238 QPKVBFPYDLHCLX-GJZGRUSLSA-N 392.452 2.992 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 391777608 KUOKYKACLJIXOG-UHFFFAOYSA-N 389.205 2.626 0 40 GFAB O=C(COc1ccccc1F)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390831012 PCGMQCQQWFZFRO-INIZCTEOSA-N 383.466 2.654 0 40 GFAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)[C@H]2Cc4ccccc4O2)C3)n1 575402573 CMBUCTMZOGLJNM-UYAOXDASSA-N 396.512 2.997 0 40 GFAB COc1ccc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)cc1 585105038 OCIDHICPYKUGAH-SFHVURJKSA-N 377.506 2.839 0 40 GFAB O=C(CN1CCN(C(=O)/C=C/c2ccccc2F)CC1)Nc1cccc(F)c1 57446551 SWVWLBLOECONLK-CMDGGOBGSA-N 385.414 2.761 0 40 GFAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cn(C)nc2-c2cnn(C)c2)C1 548367835 UIOQPHITRKNKFZ-KRWDZBQOSA-N 396.470 2.667 0 40 GFAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 5206369 VZWOAZGWAMPLAZ-IRXDYDNUSA-N 390.480 2.964 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 5264105 CFTYOZMBCVJRGR-UHFFFAOYSA-N 387.443 2.998 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n1 12118598 MJJBVGXJAOZUKN-QGZVFWFLSA-N 392.463 2.962 0 40 GFAB CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)c1 12323026 ZWEUBFORPITVJT-UHFFFAOYSA-N 386.209 2.880 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)cc1 16691807 VFXJBFRDIXUGFW-UHFFFAOYSA-N 382.526 2.935 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)c3cc(C(C)(C)C)n4ncnc4n3)ccc21 19019220 ZBAJCNLPXUEWIC-UHFFFAOYSA-N 378.436 2.583 0 40 GFAB Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c(=O)n1C 19131864 PHSJNGLPYKUPNQ-UHFFFAOYSA-N 393.491 2.819 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@@H](C)c4ccc(C)cc4)C3)ncc2C1 19135738 GTNAPSNPIILBSH-LPHOPBHVSA-N 392.503 2.809 0 40 GFAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19448277 PJRTXSDZABUZAG-IBGZPJMESA-N 398.482 2.582 0 40 GFAB COc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CCN(C)CC2)cc1C 19571401 VSQUHPKTCMZBRR-UHFFFAOYSA-N 389.521 2.684 0 40 GFAB Cc1nccn1CCC1CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 19657098 KTWXPXYTXXFKCO-LJQANCHMSA-N 382.464 2.610 0 40 GFAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1CN(Cc1cccc(OC3CCCC3)c1)C2 19713612 QJQQGGQADTVNHI-NZQKXSOJSA-N 399.535 2.567 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cc(C)nc3onc(C)c23)N2CCOCC2)cc1 19715847 ZTRALJWSBFHKCI-IBGZPJMESA-N 394.475 2.951 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccc(N)c1 4865434 NYCMHDBOZUAJRC-UHFFFAOYSA-N 390.461 2.842 0 40 GFAB CC(=O)N1CCN(c2cccc(C)n2)C[C@H](Cc2ccnc3cccnc23)C1 2037838454 HRANFEXQVCKSLJ-GOSISDBHSA-N 375.476 2.861 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC(COc3cc(C)ncn3)CC2)s1 1565519365 NEGRYTQKTUMJAF-UHFFFAOYSA-N 381.523 2.889 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)cc1 4315940 JLOCEDPJJHVJJN-UHFFFAOYSA-N 380.448 2.551 0 40 GFAB Cc1[nH]c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2c1C 10233751 BXYXIRIOYAVCFL-UHFFFAOYSA-N 392.246 2.648 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccc2c(c1)CCO2 1775969021 SZOMYCPBMBNBSS-AWEZNQCLSA-N 391.470 2.955 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)N2CCOCC2)cc1 23107980 CIXPMHAIUMMZKS-OAQYLSRUSA-N 388.533 2.530 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1C 19214174 QSVMBVZXATYKIJ-ZWKOTPCHSA-N 394.519 2.913 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc2c(c1)OCC(=O)N2 40005388 LXXNDHJVRIZMHN-UHFFFAOYSA-N 376.416 2.535 0 40 GFAB Cc1ccc(CNC(=O)NCC(=O)Nc2ccccc2N2CCCC2=O)cc1 40038931 JTQKSJJHJWCRNF-UHFFFAOYSA-N 380.448 2.560 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 40159506 YWNIIYJWBHYHFJ-VMPITWQZSA-N 384.501 2.561 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 40161991 MVGCLMAXJBNUTR-MAUKXSAKSA-N 385.439 2.725 0 40 GFAB CC(C)n1nnnc1SCc1nnc(C(=O)Nc2ccc(F)cc2)s1 30796289 AOVNIKGNDRJQIG-UHFFFAOYSA-N 379.446 2.789 0 40 GFAB CCc1[nH]c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1C(=O)OC 31497663 UIRYCJJZFHAXEU-GFCCVEGCSA-N 392.477 2.567 0 40 GFAB O=C1C[C@@H](C(=O)Nc2cccc(C(=O)O)c2)n2ncc(-c3ccccc3)c2N1 20725032 QJWWWIKOQZMQFA-INIZCTEOSA-N 376.372 2.770 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)nn1-c1ccccc1 32729531 LMUINSUOFOMJHJ-LJQANCHMSA-N 394.450 2.713 0 40 GFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H]1CCOc2ccccc21 32724470 KJPQQBUORRFFHZ-INIZCTEOSA-N 390.461 2.846 0 40 GFAB COc1ccc(CCNC(=O)CCCN2Cc3ccccc3C2=O)cc1OC 41128117 VBARUEXLAXCJNX-UHFFFAOYSA-N 382.460 2.799 0 40 GFAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 4352385 ZLLHEIUKFNVARW-UHFFFAOYSA-N 380.400 2.698 0 40 GFAB COc1cc(CNC(=O)[C@H]2CCCN(C(C)=O)C2)ccc1OCCC(C)C 46998774 YGPZTRBYOJWZQY-SFHVURJKSA-N 376.497 2.995 0 40 GFAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Br)cc1 58167491 IKPVQAFFIYHPPI-INIZCTEOSA-N 390.233 2.959 0 40 GFAB O=C1C[C@H](c2ccccc2)N(C(=O)c2ccc(OCC(F)(F)F)nc2)CCN1 47175204 MYSCDACGCQQKCM-OAHLLOKOSA-N 393.365 2.726 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cc(OC)ccc1OC 994393 HEFZJOLZPDVFJQ-KRWDZBQOSA-N 390.461 2.917 0 40 GFAB Cn1c(=O)c2c(nc3n(CCc4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 12436666 QJAHYIRDNSWQQX-UHFFFAOYSA-N 399.454 2.596 0 40 GFAB COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)c1 915042 HNVOPFHBEVSTNK-SFHVURJKSA-N 392.419 2.618 0 40 GFAB O=C(COc1ccc(F)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 26421443 BCWUHHMCIHHEDA-CQSZACIVSA-N 389.876 2.816 0 40 GFAB CCN(CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 58013896 CCWXHSUQUIWIPA-INIZCTEOSA-N 378.476 2.965 0 40 GFAB CCc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1OC 113969782 MWFSKTUHXVELTI-UHFFFAOYSA-N 389.521 2.810 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)O)ccc12 2093176 ZPYRZXMWIFVLIQ-UHFFFAOYSA-N 375.421 2.804 0 40 GFAB biogenic CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2094532 CTDJCYDSJKIMLD-MLGOLLRUSA-N 375.421 2.882 0 40 GFAB biogenic Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 10288763 FRIQOPCSSOLWOF-UHFFFAOYSA-N 386.517 2.769 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)c1 58249235 ZUOWCSPCDAREMV-UHFFFAOYSA-N 393.461 2.689 0 40 GFAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H](Sc2ccccc2)C(C)C)CC1 58297836 QJZNXRXGZAMMJR-YLJYHZDGSA-N 391.581 2.862 0 40 GFAB CN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 10612755 JDKODUADCBARKN-UHFFFAOYSA-N 391.456 2.864 0 40 GFAB Cc1cc(C(=O)COc2ccc(-n3cnnn3)cc2)c(C)n1C[C@H]1CCCO1 3376877 GHKPJKGTQCTNJV-GOSISDBHSA-N 381.436 2.521 0 40 GFAB Cc1cc(S(=O)(=O)NCCCn2ccnc2)ccc1NC(=O)c1ccccc1 408627302 ZGCNPNVGJMCLLE-UHFFFAOYSA-N 398.488 2.812 0 40 GFAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)N1CCCC1 408588431 CSCIUABGRMLBCT-UHFFFAOYSA-N 386.901 2.562 0 40 GFAB CNC(=O)c1nn(CN(C)Cc2ccc(C(C)C)cc2)c(=O)c2ccccc12 12935519 JVAADWYYAGCPRI-UHFFFAOYSA-N 378.476 2.969 0 40 GFAB COCCNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 8727390 UPQPYCMWHDLQRQ-UHFFFAOYSA-N 381.432 2.933 0 40 GFAB O=c1[nH]c2ccccc2n1C1CCN(C[C@@H](O)COCc2ccccc2F)CC1 70869202 ILKHSKYEHWSSON-GOSISDBHSA-N 399.466 2.683 0 40 GFAB CC[C@H](C)NC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@@H]2SC1(C)C 4081095 FNAYHWOEEFYCAK-VDYXNGCNSA-N 378.494 2.967 0 40 GFAB biogenic Cc1nc2c3ccccc3n(CC(=O)c3ccc(Br)cc3)c(=O)n2n1 5035629 LVLALYCMKATKLN-UHFFFAOYSA-N 397.232 2.998 0 40 GFAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccccc2C)c1=O 64987580 ABIKXMAWCPFXDG-UHFFFAOYSA-N 378.432 2.716 0 40 GFAB CC(C)(C)OC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 14022587 HVCMFRWMASCTGL-UHFFFAOYSA-N 385.372 2.574 0 40 GFAB CN(c1ccc(C(=O)NCCSCc2ccccc2)cc1)S(C)(=O)=O 4689020 IPGGNKYLEGYISE-UHFFFAOYSA-N 378.519 2.746 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)n1 4778522 MQZWBLMRFPEUTO-INIZCTEOSA-N 395.525 2.908 0 40 GFAB C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Br)c1 15399882 PZEVDOGAKFRLAT-LLVKDONJSA-N 388.225 2.831 0 40 GFAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)cc(=O)c2c1 15859913 WQJSEYRUJMURBN-KRWDZBQOSA-N 396.443 2.806 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 7779105 DFHQHPAGOGAFRE-UHFFFAOYSA-N 393.447 2.623 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408589762 FKHSXDMRPLZAEP-CQSZACIVSA-N 392.477 2.569 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 408552735 NJYRWDWOMOBWOU-ZDUSSCGKSA-N 390.461 2.512 0 40 GFAB O=C(COc1ccc(F)cc1)Nc1nc2ccccc2n1CCN1CCOCC1 28227484 NSXBZLBPTQZASX-UHFFFAOYSA-N 398.438 2.525 0 40 GFAB CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1(C)C 95987282 ZINGYGACSXPTDW-UYHISHBKSA-N 396.443 2.865 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306144377 ZDPGKOQBJWTKBY-HNNXBMFYSA-N 397.504 2.566 0 40 GFAB COc1cc([C@@H]2C3=CNNC3=Nc3c2c(=O)oc2ccccc32)cc2c1OCO2 524731960 QQHYGJAFQJHJQL-MRXNPFEDSA-N 389.367 2.698 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2Cl)cc1 30867013 HFFKKDFABCOQBE-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CNS(=O)(=O)c1ccc(-c2nc(-c3ccc(OC(C)C)c(OC)c3)no2)o1 36364960 ABSQHJNHTZIQCS-UHFFFAOYSA-N 393.421 2.701 0 40 GFAB COC(=O)c1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 42316005 CBGYMORPZONJMC-UHFFFAOYSA-N 393.365 2.849 0 40 GFAB CC(C)Oc1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 220099381 KWNFGNWVCRMVFN-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCCO)c2ccccc2)cc1 223554218 RRNXZVKXAJUXGV-NRFANRHFSA-N 398.503 2.920 0 40 GFAB CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224642843 XBVBHOXMUGAQKR-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB Cc1nc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)sc1C(=O)N(C)C 225722376 OXVFYLZFSGZYPO-LBPRGKRZSA-N 392.506 2.685 0 40 GFAB O=C(NCc1cccc2cc[nH]c12)C1(S(=O)(=O)c2ccccc2)CCOCC1 572077782 OFQJTHMSHMEQOO-UHFFFAOYSA-N 398.484 2.807 0 40 GFAB COc1ccccc1OCCNC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 42230361 JYOBKVPZIMOWQS-CQSZACIVSA-N 390.871 2.550 0 40 GFAB Cc1ocnc1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 576937749 NLEICWLQVVRKGD-OLZOCXBDSA-N 379.210 2.686 0 40 GFAB O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1 96036828 KKVOVGNAJUPGHT-IBGZPJMESA-N 398.482 2.535 0 40 GFAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4C)C[C@@H]32)C(=O)N1CCOC 96261662 NZYLCERBLMOQOA-HYFFOGBASA-N 398.507 2.905 0 40 GFAB Cc1cnc(N)c(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1 580922224 IYAYLPLWUZPMJV-UHFFFAOYSA-N 390.440 2.821 0 40 GFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257238478 HLDQBCFPGWKEDS-XMEMRUQMSA-N 379.455 2.943 0 40 GFAB CC(=O)Nc1nc(C)c(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C)s1 257280776 OMKFNFCKZDJJFY-KZNAEPCWSA-N 398.532 2.970 0 40 GFAB O=C(CN1CCN(c2ccc(F)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 51182415 CXDONQBZRIOKBC-IBGZPJMESA-N 396.510 2.590 0 40 GFAB CN(CC(=O)O)C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCO1 263493498 PSZHYUCNBIYQPT-IBGZPJMESA-N 383.448 2.603 0 40 GFAB CC(C)(C)n1nnc(CNC(=O)N[C@@H]2CCc3c(Br)cccc32)n1 654424333 KAEKRYHUQBVPSZ-CYBMUJFWSA-N 393.289 2.677 0 40 GFAB Cc1ccc(NC(=O)c2nc3cnccc3s2)cc1C(=O)N1CCOCC1 614132409 LEMIBMDCNVSVQP-UHFFFAOYSA-N 382.445 2.724 0 40 GFAB COc1ncc(Br)cc1CNC(=O)Nc1cn(C)nc1C1CC1 626570443 BWOUBHGDVJFYBE-UHFFFAOYSA-N 380.246 2.785 0 40 GFAB C[C@H](NC(=O)NCc1nnn(C(C)(C)C)n1)c1ccc(N2CCCCC2=O)cc1 685938882 UXSVCQSJZHDSHU-AWEZNQCLSA-N 399.499 2.505 0 40 GFAB C[C@H]1CN(C(=O)C2CCC(C(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)CC(C)(C)O1 95955657 TTWOMYXMSWXJOH-OQSMONGASA-N 394.556 2.845 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100099835 BPCFUVRYEQITMW-HDICACEKSA-N 398.459 2.923 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615157540 KVMPOJUKVJWBCK-HSZRJFAPSA-N 394.471 2.662 0 40 GFAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@@H](C[C@H]21)[C@@](O)(C(C)C)[C@H]3O 5104527 HRQUJKIMIXCOBO-HOMGOPOBSA-N 380.525 2.919 0 40 GFAB COc1cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1OC(C)=O 5712349 BKHOASBTILGREP-IBGZPJMESA-N 396.351 2.684 0 40 GFAB COc1ccc(OC)c(CN(Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)c1 12187488 LNFWUSMYJWUEIK-LJQANCHMSA-N 386.496 2.741 0 40 GFAB O=C1CCCN1c1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 12327634 JWFBNGAGEKTXOP-OAQYLSRUSA-N 398.478 2.970 0 40 GFAB Nc1nc(=O)c(CCCNc2nc(Cl)nc(Cl)n2)c(-c2ccccc2)[nH]1 17380760 JSIXYTIGROTHMV-UHFFFAOYSA-N 392.250 2.556 0 40 GFAB C[C@H](Cn1cncn1)C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19457850 VSABPDBOKWILET-VQIMIIECSA-N 392.459 2.786 0 40 GFAB C[C@H]1CC(=O)N(c2cccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)c2)C1=O 19462368 QEISVLGGPLUDCX-OXJNMPFZSA-N 391.471 2.715 0 40 GFAB COCCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 19694285 PGWHFMGYLCLMDI-QGZVFWFLSA-N 398.507 2.961 0 40 GFAB CNC(=O)c1cnc(C)nc1CCNC(=O)C1(c2ccc(C)cc2)CCCC1 19697306 BSCUIZRWYITBAG-UHFFFAOYSA-N 380.492 2.624 0 40 GFAB Cc1cc(C)cc(OCCN(C)S(=O)(=O)CCn2cnc3ccccc32)c1 10517711 UNTPSNFXOFGDRZ-UHFFFAOYSA-N 387.505 2.994 0 40 GFAB CN(CC1CCN(c2nccn(C)c2=O)CC1)c1cc(C(F)(F)F)ccn1 1888897705 ODIUBXOEZOYCRN-UHFFFAOYSA-N 381.402 2.547 0 40 GFAB O=C(c1ccccc1I)N1CCN(c2nccs2)CC1 10269878 WGIRPLBCFVJIJQ-UHFFFAOYSA-N 399.257 2.710 0 40 GFAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)N1CCc2ccccc21 2037916182 TYEFRBZCKYTAQB-QFIPXVFZSA-N 384.451 2.621 0 40 GFAB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)s1 253405155 RXIKCQUIZMJKPU-HNNXBMFYSA-N 386.564 2.972 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 4107144 XZQUBZYYMBDHKO-UHFFFAOYSA-N 381.344 2.547 0 40 GFAB COc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1OC 4479352 DYKKVDYLYDCVJW-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB CCOc1ccc(N2C(=O)N(c3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 8768132 LNJGXJHRBQPBEJ-ZWKOTPCHSA-N 390.436 2.837 0 40 GFAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2cccs2)o1 13653536 ABJRKCLIBNEOFA-UHFFFAOYSA-N 391.474 2.915 0 40 GFAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cc(C)cs2)CC1 2055747897 YJVCRTCTFVSXDJ-UHFFFAOYSA-N 387.505 2.898 0 40 GFAB O=C(Cn1cnc2c(sc3ncccc32)c1=O)NCc1ccc(Cl)cc1 35510932 KCFRQBJDCBPECC-UHFFFAOYSA-N 384.848 2.976 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38728540 LYWNOZJKHCQZKL-OALUTQOASA-N 388.471 2.511 0 40 GFAB C=CCn1c(O)c(C(=O)Nc2ccc(C(=O)OC)cc2)c(=O)c2ccccc21 5910238 YJTVSZFMSIHIRE-UHFFFAOYSA-N 378.384 2.932 0 40 GFAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 217536732 ORKNERHMCZSBPF-WIEQDCTASA-N 377.444 2.883 0 40 GFAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCCc1cccs1 40071961 RPCXGKGHKNXJOM-NRFANRHFSA-N 397.500 2.796 0 40 GFAB Cc1ccc(O)c(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)c1 50177771 ACHAWAVLYOOPHQ-NRFANRHFSA-N 379.416 2.638 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 31736148 QLLLJZLYSRMPAM-ZDUSSCGKSA-N 392.415 2.703 0 40 GFAB COC(=O)C1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20723196 OHTWLLPKCQLEHD-OAHLLOKOSA-N 395.253 2.941 0 40 GFAB CCc1ccc(-n2nc(CO)c(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1 21173165 LIQFVBKADTUULE-UHFFFAOYSA-N 389.459 2.776 0 40 GFAB CCn1c(C)cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1C 29812894 HNUWEDVSEQZBRQ-UHFFFAOYSA-N 384.480 2.648 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2630128 ACYWUNKMEGHFNB-UHFFFAOYSA-N 379.434 2.530 0 40 GFAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1c(C)csc1=O 52853726 ICKMHLDJEJKPIR-OAHLLOKOSA-N 376.478 2.687 0 40 GFAB O=C(Cc1ccccc1)NC(NC1=NCCS1)(C(F)(F)F)C(F)(F)F 721331 WNVTVVHZJNVLJP-UHFFFAOYSA-N 385.333 2.859 0 40 GFAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(OC)c(OC)c1 904669 VXFFVRMVTSTHBE-UHFFFAOYSA-N 376.482 2.697 0 40 GFAB COc1ccc(OC)c(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)c1 33162033 XIIVZSGRXWCUIW-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB Cn1cnn(CN2CCN(Cc3csc(-c4ccsc4)n3)CC2)c1=S 22086192 AYJUFXCIOJXUMW-UHFFFAOYSA-N 392.579 2.911 0 40 GFAB CC(C)C[C@H](CNC(=O)NCc1nnc2n1CCC2)N[C@@H](C)c1ccccc1 78974054 FBIFOPNODQQNCO-FUHWJXTLSA-N 384.528 2.789 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 42268132 DEXSBYMAEUZWIH-UHFFFAOYSA-N 387.335 2.595 0 40 GFAB CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)ccc1OC 7553510 YJYAXZKXYBMJQI-KRWDZBQOSA-N 377.510 2.755 0 40 GFAB C[C@H](Oc1cccc(F)c1)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 24862604 DSCZHFBKSNPHTA-MAUKXSAKSA-N 391.464 2.809 0 40 GFAB COC(=O)c1sccc1NC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 25100121 QYVLQCBRIPZTOL-GFCCVEGCSA-N 392.433 2.633 0 40 GFAB CCCOc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 22378060 PBSXGRNHOPHNPH-UHFFFAOYSA-N 390.505 2.900 0 40 GFAB Cc1c(C(=O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc2n1C 1826582 HJQQSNSCGVGIRI-IAGOWNOFSA-N 375.472 2.950 0 40 GFAB biogenic COC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 12521767 VTTUREDDGLOMKN-UHFFFAOYSA-N 383.448 2.669 0 40 GFAB Cc1ccc(-n2c(S[C@H]3CCCCNC3=O)nc3ccccc3c2=O)nc1 10193484 XSQOVMNHNXDXGI-INIZCTEOSA-N 380.473 2.850 0 40 GFAB Cc1csc(N2CCC(C(=O)NC[C@@H](CC(C)C)N3CCOCC3)CC2)n1 58130916 HVYYPKGRCQMMQX-GOSISDBHSA-N 394.585 2.531 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 20014554 GKMLFAZXHFIGGQ-OAHLLOKOSA-N 376.478 2.583 0 40 GFAB CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870537 BHDSZSHAOVSXLS-UHFFFAOYSA-N 390.461 2.712 0 40 GFAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 58331385 HCQXQFVEDJJNDR-INIZCTEOSA-N 394.541 2.613 0 40 GFAB COc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1OCC(=O)NC1CC1 48232317 RNAJAQMKGFAQEF-MRXNPFEDSA-N 387.263 2.875 0 40 GFAB CN(C)CCn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3 2354000 CYWNIHMXSVQWBU-UHFFFAOYSA-N 387.505 2.697 0 40 GFAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnc21 11461778 BYWMKJNKFGTCNV-UHFFFAOYSA-N 399.760 2.831 0 40 GFAB COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1S(N)(=O)=O 12763934 NCEGFMDNBOVEPX-UHFFFAOYSA-N 395.487 2.780 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(C(F)(F)F)c2)cc1 26105736 BIKUPEDMLNDAPO-UHFFFAOYSA-N 386.395 2.722 0 40 GFAB Cc1nnc(N2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)o1 62260219 IWPNGJWWIVDHIJ-UHFFFAOYSA-N 385.649 2.756 0 40 GFAB CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 48354755 CVHPJXRTJISWTL-LAUBAEHRSA-N 392.565 2.901 0 40 GFAB Cc1cccc(Cn2cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c3ccccc32)c1 408596263 RWLWIAVLQGXVAA-VCHYOVAHSA-N 389.411 2.975 0 40 GFAB Nn1cc(-c2ccccc2)nc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 6649927 MUVDJCLKDZALPI-LJQANCHMSA-N 394.500 2.956 0 40 GFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 6850980 HYZCVIQPRDIOGR-UHFFFAOYSA-N 378.860 2.692 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 67361570 CWVXKFXBNGFGHX-GOSISDBHSA-N 386.517 2.732 0 40 GFAB O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Cl 22972107 VFQZKLFWSXNIKG-LJQANCHMSA-N 383.879 2.790 0 40 GFAB CSc1ncccc1C(=O)NCC(=O)Nc1ccccc1Br 15533823 HHDALTDJKSLGIX-UHFFFAOYSA-N 380.267 2.935 0 40 GFAB O=C(COc1cccc(Br)c1)N1CCN(c2nccs2)CC1 15590243 CQEAMMPKJZIOQK-UHFFFAOYSA-N 382.283 2.633 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 7651458 GYBFSNUZYKTGSX-UHFFFAOYSA-N 380.441 2.872 0 40 GFAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c1 8037957 VAMJKXDQBBXTKR-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB Cc1cccc(CNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22395962 UUEGSHLLPHEISJ-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1cccc(S(C)(=O)=O)c1)O[C@@H](C)C2 8703901 NYYKDWNUNRUCEV-ZDUSSCGKSA-N 389.473 2.742 0 40 GFAB NC(=O)COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8751461 RWZXEFBMAAOVCZ-SFHVURJKSA-N 396.443 2.689 0 40 GFAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 95954434 RLQOEMQMIIPOMB-UHFFFAOYSA-N 388.424 2.739 0 40 GFAB Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1CCC(C)C 20993355 AAVBRKWRGJEWAQ-UHFFFAOYSA-N 383.452 2.937 0 40 GFAB COc1cccc(CN2C[C@@]3(F)CN(C(=O)c4ccsc4)C[C@@]3(F)C2=O)c1 306132539 LLPXHEXXRDQUEA-RTBURBONSA-N 392.427 2.672 0 40 GFAB COCCn1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)cccc21 524729090 CEUAGIWYOYMJFT-FUHIMQAGSA-N 395.503 2.761 0 40 GFAB biogenic Cc1cc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2C2CC2)on1 72340340 AKDWPBMKXPLIFQ-UHFFFAOYSA-N 379.420 2.873 0 40 GFAB CSc1c(F)cc(NC(=O)C(=O)N[C@H](CCO)c2ccccc2)cc1F 541363659 VCPNEPCEAUIDNW-OAHLLOKOSA-N 380.416 2.865 0 40 GFAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)N[C@H]1CC(=O)N(C2CC2)C1 1565524143 BNGHKPMWQBFWCR-KRWDZBQOSA-N 395.503 2.615 0 40 GFAB O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2cc(O)ccc21 225819653 DYIZZEVREABRDZ-UHFFFAOYSA-N 379.459 2.642 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1 225974626 OWCGBRZMCSUARI-UHFFFAOYSA-N 395.868 2.947 0 40 GFAB CCC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223112653 GAWRVRPBXDILTQ-VIFPVBQESA-N 388.902 2.911 0 40 GFAB O=C(NC1CCCC1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143025 COOAXVWHYHWKSF-HXUWFJFHSA-N 389.521 2.654 0 40 GFAB CC(C)n1nnc(-c2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2)n1 96116621 SUERIZKYOIQPMH-UHFFFAOYSA-N 375.436 2.770 0 40 GFAB CCC(CC)NC(=O)c1ccc2nnc([C@@H]3CCN(c4ccc(C)nn4)C3)n2c1 96267552 QCUARXSZVUKMJQ-OAHLLOKOSA-N 393.495 2.740 0 40 GFAB O=C(N=c1ccnc(OCC(F)(F)F)[nH]1)Nc1ccc([C@H]2CCOC2)cc1 579921072 AFEVDVSUTVWDJA-LBPRGKRZSA-N 382.342 2.988 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 96347386 NTVZMJWVPVBXEJ-UHFFFAOYSA-N 390.399 2.534 0 40 GFAB COCCN(C)c1cnn([C@H]2CCCN(Cc3cccc(Cl)c3)C2)c(=O)c1 583618328 OHPOVNIJOARWKC-SFHVURJKSA-N 390.915 2.816 0 40 GFAB C[C@]1(CNc2ncnc3ccc(S(C)(=O)=O)cc23)COc2ccccc2O1 528079869 QEJRARRGZMXDTK-IBGZPJMESA-N 385.445 2.675 0 40 GFAB Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)c3ccncn3)C2)ccc1CO 257298554 RMFOIDPMSAVUOX-HNNXBMFYSA-N 393.447 2.656 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1C 260790614 IFVZYRBNGNZYCA-MRXNPFEDSA-N 392.496 2.956 0 40 GFAB CN(C)CCOc1cc(-c2noc([C@@]3(C)COc4ccccc4O3)n2)ccn1 624540024 ARGGRQXNIOVNOA-HXUWFJFHSA-N 382.420 2.759 0 40 GFAB Cc1nn(C)cc1-c1ccnc(N2CCC[C@H]2c2nc(-c3ccncc3)no2)n1 48435813 PEIRIVHSKVTKKA-KRWDZBQOSA-N 388.435 2.972 0 40 GFAB C[C@@H](CCCc1cccnc1)NC(=O)N1CCc2nnc(N3CCCC3)cc2C1 665110542 BGRWXKRYUNEHEY-KRWDZBQOSA-N 394.523 2.951 0 40 GFAB C[C@@H](NC(=O)N1CCc2c(ncn2C)C1)c1noc(-c2ccc(Cl)cc2)n1 674642574 QTMYSZXPSGFASV-LLVKDONJSA-N 386.843 2.952 0 40 GFAB CCC(CC)(CC)C(=O)NC[C@H]1COCCN1Cc1ccc2c(c1)OCCO2 1615611097 JTAXLZRNOKDWBR-SFHVURJKSA-N 390.524 2.991 0 40 GFAB COc1ccc(S(=O)(=O)NCC2(OC)C3CC4CC(C3)CC2C4)cc1OC 96123893 RYHRLMUBOTVJLT-UHFFFAOYSA-N 395.521 2.823 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575405044 QWGVIFULOFFYFS-KRWDZBQOSA-N 385.464 2.921 0 40 GFAB O=C1NCCN(Cc2cc3n(n2)CCCC3)[C@@H]1c1ccc(OC(F)(F)F)cc1 585090068 JHYMLTGRKHAVJY-QGZVFWFLSA-N 394.397 2.791 0 40 GFAB C[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1 32440552 JQGLRWGDPCIWIT-WPNIOXTASA-N 385.533 2.787 0 40 GFAB COc1ccc(-c2ncnc(N3CC(N(C)C(=O)NC(C)(C)C)C3)c2F)cc1 1775974047 ATJBNLIJMGWSFY-UHFFFAOYSA-N 387.459 2.920 0 40 GFAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 5470888 XRSRNAUETCDNFV-MRXNPFEDSA-N 397.266 2.747 0 40 GFAB CNC(=O)c1c(NC(=O)c2sc(=S)n(C)c2N)sc2c1CCCC2 5562340 DUPJNAFMSFDMOV-UHFFFAOYSA-N 382.536 2.950 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccccc1C 13010196 UXNIGEBEHZGOEG-UHFFFAOYSA-N 377.400 2.970 0 40 GFAB COc1ccc(/C=C/C(=O)NCCCN2CCC(C)CC2)c(OC)c1OC 13669626 MGCXGWXTDQODNC-VQHVLOKHSA-N 376.497 2.964 0 40 GFAB O=C([C@H]1CCCO1)N1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17079074 SIYJMJVGBOAACW-CQSZACIVSA-N 387.427 2.725 0 40 GFAB CCOc1cc2c(cc1CN1CCC[C@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2 19522499 YOFFNQBCEUMRIS-AWEZNQCLSA-N 385.464 2.839 0 40 GFAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 19527168 KXVMXQXPWOBIJM-NRFANRHFSA-N 380.540 2.958 0 40 GFAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 19589020 HTFJYYMRQCIOGV-LJQANCHMSA-N 380.492 2.963 0 40 GFAB Cn1c([C@H]2CCCN(C(=O)CCCNc3ncccn3)C2)nc2ccccc21 19716370 NRRKXZYOXDWSER-INIZCTEOSA-N 378.480 2.962 0 40 GFAB CCn1cc(C(=O)N2CCC3(CC2)CN(C(C)=O)c2ccccc2N3)c(C)n1 12086136 COAJIBRUEVMZSB-UHFFFAOYSA-N 381.480 2.665 0 40 GFAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324738 NXRCPBCWHVVKGP-MRXNPFEDSA-N 378.425 2.535 0 40 GFAB Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)nc(C2CC2)n1 1888913672 RNHLCYZJOUTAKH-UHFFFAOYSA-N 388.474 2.928 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c1C 19603003 IRXGQNRLWHKCDI-UHFFFAOYSA-N 391.475 2.576 0 40 GFAB CCN(CC)S(=O)(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 21397620 SQAFCHGSOHZHMF-UHFFFAOYSA-N 394.566 2.514 0 40 GFAB COCCN1Cc2ccccc2CC2(CCN(c3nc(C)cc(C)n3)CC2)C1=O 1565552441 UIFPBFOHIUORJF-UHFFFAOYSA-N 394.519 2.911 0 40 GFAB COc1ccc(C(=O)N(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1OC 4165329 RHJLLTUJDMHOOT-QGZVFWFLSA-N 387.457 2.970 0 40 GFAB COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 5018274 DAMZGDLRWJEGHT-LJQANCHMSA-N 398.415 2.564 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)CCCc4ccccc4)cnc32)cc1 10251666 MQKFUASRDYFEBC-UHFFFAOYSA-N 387.443 2.984 0 40 GFAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 13789938 JTHMSAWIVDRVSY-CQSZACIVSA-N 379.507 2.729 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@H]2O1 2055731614 LQHRVIYYDBVAQS-CEWLAPEOSA-N 397.519 2.937 0 40 GFAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)no1 22768242 JEXXABYUJITYAB-UHFFFAOYSA-N 396.472 2.954 0 40 GFAB O=C1Nc2c(Br)cc(S(=O)(=O)N3CCCC3)c3cccc1c23 35686183 MIQAOMVNJUGKHM-UHFFFAOYSA-N 381.251 2.953 0 40 GFAB CN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)[C@H]1CCS(=O)(=O)C1 40086561 IKJXIDRGAJNWHQ-INIZCTEOSA-N 387.505 2.536 0 40 GFAB CCOCc1ccccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 30509045 QHUOKHKVBOOHRP-UHFFFAOYSA-N 377.444 2.809 0 40 GFAB COC(=O)c1sc(N2CCCCC2)c(S(=O)(=O)c2ccccc2)c1N 40478938 CTFUWWXYTIVZFB-UHFFFAOYSA-N 380.491 2.940 0 40 GFAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c1 31818181 MESBJMRMABBAOY-CYBMUJFWSA-N 381.392 2.817 0 40 GFAB CC(C)(C)c1nnc2sc(SCC(=O)Nc3ccccc3)nn2c1=O 20605123 WFSARXZPHTYMMV-UHFFFAOYSA-N 375.479 2.574 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 101416305 QQEGIWFIPAGCEK-SJORKVTESA-N 397.822 2.580 0 40 GFAB COc1ccc(S(=O)(=O)NCCN2c3ccccc3CC[C@@H]2C)cc1OC 32934541 UALWGYNMWUBBDP-HNNXBMFYSA-N 390.505 2.823 0 40 GFAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc2ccccc2c(=O)[nH]1 46587459 ZKNFBMLKZRVPGD-UHFFFAOYSA-N 381.476 2.829 0 40 GFAB CC(C)n1ncc2cc(NC(=O)NC[C@@H]([C@H]3CCOC3)N3CCCC3)cnc21 69922909 XETNWMFXHOFFCA-YJBOKZPZSA-N 386.500 2.635 0 40 GFAB COc1cccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)c1 18223030 LNPGETLWPJAHAS-FQEVSTJZSA-N 393.443 2.649 0 40 GFAB biogenic CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CNCc2cccs2)cc1 4895827 VMTAIDIELWHPLB-CYBMUJFWSA-N 381.523 2.553 0 40 GFAB COc1cc(CNC(=S)Nc2ccc3c(c2)OCO3)cc(OC)c1OC 6247761 HYTIOOXSEIUWKK-UHFFFAOYSA-N 376.434 2.928 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1C 7052287 FWCAXQAUJHMYEW-UHFFFAOYSA-N 382.507 2.677 0 40 GFAB CCCCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 22703720 OONJGDWUJBXMCR-DOTOQJQBSA-N 382.526 2.843 0 40 GFAB Cc1cccc(Cn2cnc(NS(=O)(=O)c3c(C)nn(C(F)F)c3C)n2)c1 2804053 YGGPJIOYHQDDPB-UHFFFAOYSA-N 396.423 2.644 0 40 GFAB COc1cc(OC)c(NC(=O)CN2CCN(Cc3ccco3)CC2)cc1Cl 22912631 UZGCKVWHMQCJNK-UHFFFAOYSA-N 393.871 2.707 0 40 GFAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103045787 IUNKCFMPPVLNDS-OYUDYFSCSA-N 382.460 2.738 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 23272922 HGCYEVKXSKNXES-MRXNPFEDSA-N 398.434 2.999 0 40 GFAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCc2ccccc2C1 953239 NIXLYRCYMPXIJC-UHFFFAOYSA-N 390.530 2.734 0 40 GFAB CCOC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 24755197 SZQJSNZLWHSYKX-UHFFFAOYSA-N 382.416 2.790 0 40 GFAB COC(=O)C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)OC 24971001 HVKXDHXZHAQZDE-WMZOPIPTSA-N 387.457 2.741 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2N2CCN(C)CC2)c1 12558194 DUQJXKMWZRTLKQ-UHFFFAOYSA-N 380.492 2.505 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(c2ccccc2)CCCCC1 25251481 GPGWILJYOYGCEY-GOSISDBHSA-N 378.538 2.819 0 40 GFAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4[C@@H](C)CCC[C@H]4C)cnc32)c1 25440541 XCLIIGWXOTXBJK-CALCHBBNSA-N 393.491 2.989 0 40 GFAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(CN2C(=O)CNC2=O)cc1 12555378 PUPXETRIKWLKAJ-UHFFFAOYSA-N 393.428 2.509 0 40 GFAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccn(C)n3)CC2)on1 100744071 KKXOWPLHVKMFHV-GASCZTMLSA-N 382.468 2.821 0 40 GFAB C[C@@H](NC(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 22536048 ZONYRFQBKARRKI-OAHLLOKOSA-N 378.469 2.507 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 27398362 YORZHPQTBPKRSO-UHFFFAOYSA-N 379.488 2.700 0 40 GFAB Cc1c(CCC(=O)NC[C@H](O)c2ccccc2)c(=O)oc2c(C)c(O)ccc12 8790615 HIBBMGNMHQITIE-IBGZPJMESA-N 381.428 2.898 0 40 GFAB biogenic CCOc1ccccc1N1C(=O)C[C@H](Sc2nnc3nc(C)cc(C)n23)C1=O 102242846 FZSYXJVQAWSIHZ-HNNXBMFYSA-N 397.460 2.564 0 40 GFAB NC(=O)COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1 72403199 KJAKJOYAFYLAJV-OAHLLOKOSA-N 382.445 2.981 0 40 GFAB O=S(=O)(NCC1(N2CCSCC2)CCCC1)c1c(F)cccc1F 42169417 OCINCCYIVFBSMX-UHFFFAOYSA-N 376.494 2.605 0 40 GFAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1 62107121 LOMCDMDZVJSCDE-UHFFFAOYSA-N 377.366 2.744 0 40 GFAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccc2O)CC1 22243008 RMSCMUUOIXYWFR-HXUWFJFHSA-N 387.524 2.762 0 40 GFAB O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 36723211 DINIXSRSXXFTIW-UHFFFAOYSA-N 398.278 2.741 0 40 GFAB COc1ccc(OC)c(CNC(=O)Nc2cccc(CN3CCOC3=O)c2)c1 48332985 CKXZZSDZNJFAHZ-UHFFFAOYSA-N 385.420 2.978 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(C2CCCCC2)s1 12993118 SQZHPWVGDYPGDW-UHFFFAOYSA-N 391.497 2.779 0 40 GFAB COC(=O)CCS[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12983045 FMLNSVFXIUJZQV-SECBINFHSA-N 390.383 2.675 0 40 GFAB CC(C)c1ccc(NC(=O)COCC(=O)NCc2ccc3c(c2)OCO3)cc1 13942195 GOZBTNZDJNPBCX-UHFFFAOYSA-N 384.432 2.810 0 40 GFAB Cc1cc(O[C@H](C)C(=O)NCCCn2ccnc2)c2c3c(c(=O)oc2c1)CCC3 5208081 PCKJLJLHKPBDRG-OAHLLOKOSA-N 395.459 2.760 0 40 GFAB COc1cc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)ccc1N1CCCC1=O 14119055 XJUDYYGSUCBCDB-CYBMUJFWSA-N 395.415 2.930 0 40 GFAB COc1ccc2c(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)cc(=O)oc2c1 6553016 WKEUGUPOQXTBSP-QFIPXVFZSA-N 390.395 2.695 0 40 GFAB C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc2c(c1)OCO2 97231118 NCNLSKFGCUTTIO-ZIAGYGMSSA-N 391.468 2.955 0 40 GFAB O=C(Cn1nnc2ccccc21)Nc1cc2c(cc1Br)OCCO2 9154493 WVFKWCVOKAGASH-UHFFFAOYSA-N 389.209 2.604 0 40 GFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(OC)c1OC 6785171 FVTGILXXZFLKMA-UHFFFAOYSA-N 380.784 2.556 0 40 GFAB CC(C)[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NC(N)=O 4843563 IQNFCWQPOUPOHN-AWEZNQCLSA-N 385.449 2.839 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 15136083 NTTZTBCBOXDLQV-UHFFFAOYSA-N 391.880 2.832 0 40 GFAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9245599 FRVYUQRIKOBCEA-FQEVSTJZSA-N 383.835 2.910 0 40 GFAB COc1ccc(OC)c(C(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1 67206207 SSXRZWNIWJPPLR-UHFFFAOYSA-N 382.460 2.911 0 40 GFAB COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c2c1 9221130 SXAKHPRAJAJULI-CYBMUJFWSA-N 386.477 2.539 0 40 GFAB CCNC(=O)c1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 7735328 MBCARQXNFOMJGA-UHFFFAOYSA-N 378.432 2.634 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 8020614 ALEASWYHBXGAFZ-UHFFFAOYSA-N 399.472 2.591 0 40 GFAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C(=O)NC(C)(C)C 16867902 UKOWPDIJBQFGOL-LBPRGKRZSA-N 396.434 2.663 0 40 GFAB CC(=O)Nc1nc(COC(=O)C[C@H]2Sc3ccccc3NC2=O)cs1 8280032 HZMYDQXQLVDNAZ-CYBMUJFWSA-N 377.447 2.648 0 40 GFAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)c1c[nH]c2ccccc12 97412099 XQCBVNBARHXIGS-BMFZPTHFSA-N 396.443 2.848 0 40 GFAB CC[C@@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CCN1C[C@@H](C)O 95403646 HLFWMXNDJMKGGN-DYESRHJHSA-N 386.536 2.832 0 40 GFAB CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCc2csc(C)n2)cc1 95958354 OAYUBLPENUEGBZ-INIZCTEOSA-N 391.518 2.682 0 40 GFAB COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C23CCCC3)cn1 89356248 ASKVGYHLSXZTSV-UHFFFAOYSA-N 394.475 2.820 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ncc(Cc2ccccc2)s1 89840346 RRCLGOOUBHBAEP-UHFFFAOYSA-N 398.488 2.927 0 40 GFAB COC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408626127 LZTBLMYNXFHIFM-UHFFFAOYSA-N 390.461 2.658 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 219138229 IVMBIERVAXVCDS-INIZCTEOSA-N 380.444 2.955 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1F)SCC(=O)N2 31809684 GWOLJZHOVDSBON-OAHLLOKOSA-N 395.423 2.761 0 40 GFAB CCOC(=O)C[C@H](c1ccc(Br)cc1)c1oc(CO)cc(=O)c1O 71283768 GDAPCZALHOSPLN-CYBMUJFWSA-N 397.221 2.685 0 40 GFAB CN1CC[C@H](N2CCC(NC(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)C1=O 565386865 RVUNUVXRWWZALW-SFHVURJKSA-N 391.943 2.720 0 40 GFAB CC(C)C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C(=O)N(C)C 36392031 PGCHXNVNACGQFC-QGZVFWFLSA-N 386.471 2.733 0 40 GFAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223253181 AACWEJRWXCZFDT-MRXNPFEDSA-N 386.517 2.814 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 225083287 TXCOYZYPDOVFGM-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB COCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224329086 GEABULFDYQSJRH-UHFFFAOYSA-N 382.869 2.541 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(F)cc1 44934306 WVFCPKVCWJHAGY-UGSOOPFHSA-N 392.452 2.620 0 40 GFAB CC(C)Oc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 225082991 FSIAARGISZVFLD-UHFFFAOYSA-N 388.445 2.928 0 40 GFAB O=C(NCc1ccccc1OC1CCC1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 580406286 ZRDJZHMSDVAWDQ-FQEVSTJZSA-N 392.521 2.728 0 40 GFAB O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344204 RHDYZGDHIBVTAR-ZDUSSCGKSA-N 384.386 2.553 0 40 GFAB Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)ccc21 252478237 AGBDERJKFYBAFA-KRWDZBQOSA-N 389.814 2.759 0 40 GFAB Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2C(=O)c2cnn(C)c2)cn1 257330617 XPCVASXHAHDWSE-KRWDZBQOSA-N 380.452 2.719 0 40 GFAB Cc1nn(C)c2nc([C@H]3CCCN(C(=O)CNC(=O)OC(C)(C)C)C3)ccc12 257281942 ORQAPYKXRHPNGT-AWEZNQCLSA-N 387.484 2.507 0 40 GFAB COc1ccccc1CCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1 257330354 XNZYDNXDOPRBJK-UHFFFAOYSA-N 378.476 2.915 0 40 GFAB Cn1ccnc1-c1nccnc1C1CCN(Cc2ccc(O)c(C(=O)O)c2)CC1 257335982 YMQRJIJMMJXMDZ-UHFFFAOYSA-N 393.447 2.661 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1C 257205460 AZDXZGUTTNZVJL-CTNGQTDRSA-N 381.476 2.633 0 40 GFAB CCOCC[C@H]1CCOC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 253381879 GFBRUPNIXJWCSW-KRWDZBQOSA-N 375.465 2.782 0 40 GFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)c2cnn(C)c2)c1 257294843 QVYJTEDXCAXYHS-IPJJNNNSSA-N 396.491 2.833 0 40 GFAB CCN1CCN(C(=O)Cc2ccc(NC(=O)NC[C@@]3(C)CC3(F)F)cc2)CC1 666284781 FFHLWTDGLKQMQO-LJQANCHMSA-N 394.466 2.560 0 40 GFAB CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cccc(OC3CC3)c2F)cn1 597131848 XZBFSARJJFCGFM-KRWDZBQOSA-N 393.484 2.555 0 40 GFAB O=C(c1c[nH]c2ccccc12)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095748 IABFFARSKVNOSB-INIZCTEOSA-N 393.447 2.506 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N[C@@H]2COc3ccc(F)cc3C2)cn1 664917163 UNMXQXDUNBLFDK-SCTDSRPQSA-N 388.443 2.736 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 5549374 DMVICPDPAWZDKE-KRWDZBQOSA-N 396.443 2.616 0 40 GFAB Cc1cnc(-c2nc(NCCCn3ccnc3)ncc2-c2cc(C)no2)cn1 12221527 DHGOQKNCNVINIO-UHFFFAOYSA-N 376.424 2.904 0 40 GFAB Cc1cccc(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 13669443 OVZSVKQPZHVXKK-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 14404666 NYTOFWSQTCCCGQ-UHFFFAOYSA-N 390.403 2.701 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3F)ccc21 15836632 ZUERXDDFQOVQBC-OAHLLOKOSA-N 376.409 2.796 0 40 GFAB CCCC(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19501301 NFJLBWUMWDHASC-HNNXBMFYSA-N 385.512 2.708 0 40 GFAB Cc1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c2c(C)nn(C)c2n1 19716111 BBUCEFUHUVHXOY-UHFFFAOYSA-N 391.475 2.638 0 40 GFAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)N1CCCCC1 19765634 XPGLHBFCAKSPLX-IBGZPJMESA-N 399.539 2.561 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)c1nn(CC)c(=O)c2ccccc12 8806969 QWJNEIOKTKADGE-UHFFFAOYSA-N 379.416 2.774 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 12187673 IRFUPGDHIHRSKU-KBPBESRZSA-N 397.410 2.839 0 40 GFAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCc1ccccc1S(N)(=O)=O 664908751 ZZKILBRNBBAFOF-QGZVFWFLSA-N 387.505 2.998 0 40 GFAB COC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 5571448 YOKGALSHUBXTCH-ZYHUDNBSSA-N 382.869 2.883 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888890501 ODOAGNSGKHAPKX-AWEZNQCLSA-N 391.468 2.891 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@@H]4CN(c5ccccn5)C[C@@H]43)c2O1 1889197923 LMNSCCVISNEIKF-MSOLQXFVSA-N 393.487 2.911 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)c1 2037985818 XFJIZMKGXFDMDQ-XLIONFOSSA-N 380.444 2.589 0 40 GFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCC[C@@H](C)C2)c2ccccc21 3007537 KMUBQAAEWUPFGT-MRXNPFEDSA-N 383.492 2.951 0 40 GFAB CCOC(=O)CC(=O)CSc1nnc(NC(=O)Nc2ccccc2)s1 4851592 WZSGXGPHNUGZFK-UHFFFAOYSA-N 380.451 2.797 0 40 GFAB COc1cccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccnc32)c1 6805148 HORWHGWVYMLDCC-UHFFFAOYSA-N 387.439 2.858 0 40 GFAB O=C(c1ccc2nccnc2c1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775972849 YQLXCIPLPKCKBA-UHFFFAOYSA-N 399.454 2.892 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccccc3Cl)CC2)C[C@H](C)O1 40090546 VFMDCMXHVBGQKW-GJZGRUSLSA-N 378.900 2.757 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1OC 100831187 DBHUNXCHVNIDFO-WBVHZDCISA-N 386.791 2.650 0 40 GFAB C[C@H]1CCc2sc3nc(SCCN4CCOCC4)n4ncnc4c3c2C1 20479782 PIDLORCHTPKESE-LBPRGKRZSA-N 389.550 2.888 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1c(F)cccc1F)CC(=O)N2 31810221 ADUQYWSJVKHAKN-VIFPVBQESA-N 381.346 2.599 0 40 GFAB Cn1cc(C(=O)NCCNC(=O)c2ccc(Br)o2)c2ccccc21 32070131 FREIXBWFACJPJI-UHFFFAOYSA-N 390.237 2.694 0 40 GFAB COc1ccc(CCC(=O)NCCNC(=O)c2cc3ccccc3n2C)cc1 32097416 UYUIBXHUPGXJTA-UHFFFAOYSA-N 379.460 2.666 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(Cl)c2)n(C)c1 32193131 PMOLKRSIOICPRW-UHFFFAOYSA-N 397.928 2.981 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)C1 698850 BGGICLLFAFKUGP-SJORKVTESA-N 390.480 2.550 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)c2ccc(NC(=O)CC)cc2)nc1N 908253 CDWFCMOHGMHRKC-UHFFFAOYSA-N 388.449 2.559 0 40 GFAB COc1ccc(NC[C@H](O)Cn2c3c(c4ccccc42)CCN(C)C3=O)cc1 2140673 WNMVDAQLDRPFPB-INIZCTEOSA-N 379.460 2.751 0 40 GFAB biogenic COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3249945 JUNGGRAXWWYFFQ-UHFFFAOYSA-N 377.780 2.742 0 40 GFAB CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCCC2)s1 4087973 UIIQKVURJCGUNS-UHFFFAOYSA-N 392.506 2.904 0 40 GFAB CCc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1 4250592 QYTYHMHYMVRHPP-UHFFFAOYSA-N 379.464 2.665 0 40 GFAB C[C@@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 4341479 ZGQRVVITNSUPJT-ZIAGYGMSSA-N 383.477 2.543 0 40 GFAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)C(=O)N1CCCC1 4941808 WIUDZZLBWWIYCY-UHFFFAOYSA-N 376.869 2.833 0 40 GFAB O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 5278096 VNQRMKOLDDYPTA-MDAIXWLXSA-N 389.451 2.755 0 40 GFAB COc1cccc(CNC(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1 5438305 OVKXSDBLEANVSZ-UHFFFAOYSA-N 388.493 2.648 0 40 GFAB C[C@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 5871574 KFSFFJZBPSPRRJ-ZDUSSCGKSA-N 399.834 2.508 0 40 GFAB CC(C)[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC(N)=O 5890546 BZQVXJCVFKOZOC-QGZVFWFLSA-N 381.388 2.871 0 40 GFAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 6430545 CPNJUSGILNTIRU-MRXNPFEDSA-N 393.443 2.977 0 40 GFAB COc1cc(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc(OC)c1OC 6627774 CCVFNBZKUHNLCH-UHFFFAOYSA-N 378.388 2.802 0 40 GFAB biogenic Cc1nnc(NC(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 6633064 UBKKJNUJZWOCTM-UHFFFAOYSA-N 393.900 2.567 0 40 GFAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1F 6657625 JZBONQOWLQEGGO-UHFFFAOYSA-N 375.743 2.511 0 40 GFAB Cc1csc(SCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)n1 7195562 HHIROYSNZAUCKX-CQSZACIVSA-N 380.516 2.888 0 40 GFAB CCNc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)s1 7248030 MNSNWDJJCSAWLC-UHFFFAOYSA-N 377.495 2.593 0 40 GFAB O=C(NCc1cn2ccccc2n1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 7775791 JXGYGBKXGNEWBO-MRXNPFEDSA-N 377.448 2.895 0 40 GFAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)CCC2 7859257 LXSBRXZHDCDJSX-ZDUSSCGKSA-N 387.457 2.763 0 40 GFAB O=C(NC1CCCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 8033327 PRUAVQNWWBRFHV-UHFFFAOYSA-N 388.445 2.889 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCC2 8186625 YNBZBDKBOHPWHT-JOCHJYFZSA-N 376.412 2.588 0 40 GFAB Cc1ccnn1-c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2)cc1 8254853 XLFRINMTKUWIOT-UHFFFAOYSA-N 378.388 2.686 0 40 GFAB COc1cccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 8312133 FRADDVRMISEDBC-INIZCTEOSA-N 398.459 2.724 0 40 GFAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(N2CCOCC2)cc1 8709288 FISURZCXXWMGEU-UHFFFAOYSA-N 379.420 2.540 0 40 GFAB C[C@@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)ccc2O1 10298817 KZYPBBFWOVYUHA-WIWNTQSISA-N 393.355 2.585 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10446414 RMVJQVPDQHYPKD-UHFFFAOYSA-N 379.460 2.602 0 40 GFAB NC(=O)Cc1csc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)n1 11000570 GHEGFPYPVNUIFL-UHFFFAOYSA-N 392.387 2.675 0 40 GFAB CCOC(=O)c1cc(NC(=O)Cc2c(C)nn(C)c2C)cc(C(=O)OCC)c1 11210426 GSLFGYQVVZYRNF-UHFFFAOYSA-N 387.436 2.572 0 40 GFAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)COc2ccccc2F)[nH]c(=O)c1C 12127169 CDGLEPAECDKSBQ-UHFFFAOYSA-N 397.410 2.606 0 40 GFAB COc1ccccc1CC(=O)N1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 12225598 OLOKRJLTINNFBL-UHFFFAOYSA-N 394.471 2.730 0 40 GFAB COc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1OC 12327782 SZFZTOQXZOGUSL-GOSISDBHSA-N 375.440 2.860 0 40 GFAB Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1F)[C@H](CN(C)C)CO2 12406646 LCMBQPPTXNFUIF-MRXNPFEDSA-N 378.469 2.648 0 40 GFAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 12667463 SCVNCEKSMWBJQX-KRWDZBQOSA-N 378.480 2.958 0 40 GFAB CC(C)c1noc2ncc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc12 12929396 RSDNLHFLHPONTF-UHFFFAOYSA-N 377.404 2.855 0 40 GFAB CC(C)[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 12942629 IVXCYXYIWRIEAJ-FQEVSTJZSA-N 386.423 2.840 0 40 GFAB CC(C)Cc1noc(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)n1 12971410 XFFVUFXFQQMNSM-UHFFFAOYSA-N 396.494 2.952 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc2c(c1)OCCO2 12995644 CKEWPRDHUQXPAJ-UHFFFAOYSA-N 395.242 2.811 0 40 GFAB CC(C)Oc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 13999435 MSRJCHIGZSTTBD-MRXNPFEDSA-N 396.443 2.872 0 40 GFAB CCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C)s2)cc1 14129034 STPDELQMARTTKV-UHFFFAOYSA-N 388.445 2.561 0 40 GFAB O=C(N[C@@H]1CCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 14196915 GDYNKIZIEDTGSR-QGZVFWFLSA-N 390.530 2.953 0 40 GFAB Cc1cccc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1C 14240356 CZTRFJWTMKRPJL-IBGZPJMESA-N 385.895 2.941 0 40 GFAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@@H](C(F)(F)F)C1 14924240 RGAVDKGZPNDWIC-NXEZZACHSA-N 389.443 2.937 0 40 GFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1 15616050 VOXGBTXJVGZHNV-UHFFFAOYSA-N 391.880 2.702 0 40 GFAB CCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 15771974 WKIJZVVFCOQLCX-UHFFFAOYSA-N 398.444 2.734 0 40 GFAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cc4ccccc4Cl)c(=O)c3c2=O)n1 18063671 GTOFXEYVXAWCSR-UHFFFAOYSA-N 395.850 2.967 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCCN(c4ccccn4)CC1)(C3)C2 19021192 FMHJZUBBABWOPQ-MGAZVUHYSA-N 396.535 2.595 0 40 GFAB O=C(COc1ccccc1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19373414 UAHNBBSLMBSTRJ-UHFFFAOYSA-N 396.472 2.678 0 40 GFAB C[C@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)c2C1 19497126 IDEOWRDIRPUADZ-GUYCJALGSA-N 381.480 2.555 0 40 GFAB CCCn1cc(S(=O)(=O)N2CCC(Oc3cccc(F)c3)CC2)c(C)n1 19526050 FEFFDYFNBZEXHS-UHFFFAOYSA-N 381.473 2.973 0 40 GFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)COC)C1 19591108 HEMOIJMLRXEVQV-OAQYLSRUSA-N 386.517 2.959 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867555 BTKKATXWCSPENV-UHOSZYNNSA-N 376.522 2.533 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20461059 YMJCBVIBLIWRHL-KRWDZBQOSA-N 394.880 2.526 0 40 GFAB Cc1ccc(Oc2ccc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)cc2)cc1 22185806 QJFAUYGCUMRWHH-AWNIVKPZSA-N 391.427 2.837 0 40 GFAB c1ccc(-c2nnc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)cc1 22877431 NGKJNZXRRDOGLD-UHFFFAOYSA-N 378.432 2.783 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 23761313 RSUOLEOLJXXUTP-NRFANRHFSA-N 388.533 2.850 0 40 GFAB COc1ccc(OC[C@@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 24085554 IMFDMSVGRUVQJM-HNNXBMFYSA-N 385.441 2.797 0 40 GFAB CCc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)cc1 25470193 ATNSRYKPVRCUPF-UHFFFAOYSA-N 378.432 2.830 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1F 26359489 BMRDQPHLGHNLEX-OLZOCXBDSA-N 397.406 2.845 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)n(C)c1 28643816 CHLYCVMRNCYQAU-GOSISDBHSA-N 389.521 2.863 0 40 GFAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 29329867 NSXPMDHJWYHKSC-UHFFFAOYSA-N 398.488 2.620 0 40 GFAB CC(C)C(=O)N1CCC(NCc2ccc(OCCO)cc2Br)CC1 30670987 DMTARLIDLMIQEV-UHFFFAOYSA-N 399.329 2.557 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 30755976 UPJKRGWWNGHONG-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB O=c1c(N2CCOCC2)nc2ccccc2n1CCOc1ccccc1Cl 32682290 ISZMCUPZQVOIDB-UHFFFAOYSA-N 385.851 2.966 0 40 GFAB NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804158 OHUXVNGYXBTGHN-OAQYLSRUSA-N 377.488 2.510 0 40 GFAB COc1cccc(COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1OC 32990843 SYCGKXBBUWTPEH-GOSISDBHSA-N 383.444 2.838 0 40 GFAB COc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)CCC2 33167883 GGRQRJMLFQOTBR-UHFFFAOYSA-N 392.477 2.958 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCC(n2nnc3cc(F)ccc32)CC1 35315218 PHLJAHOOISEOMD-UHFFFAOYSA-N 378.404 2.735 0 40 GFAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1cccc(F)c1 36383614 RQBMYLDDBGTARQ-UHFFFAOYSA-N 387.480 2.772 0 40 GFAB CCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1c(C)nn(CC)c1C 36614920 LYSFFEFRYAAKRJ-UHFFFAOYSA-N 389.481 2.781 0 40 GFAB Cc1cc(C)n(CCNC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 36616265 YNURORXQNAJWKB-UHFFFAOYSA-N 378.436 2.780 0 40 GFAB Cn1nc(NC(=O)c2ccc3c(c2)OCO3)c2c1NC(=O)C[C@@H]2c1cccs1 36705581 KJPBOIWVHLTPQK-LLVKDONJSA-N 396.428 2.937 0 40 GFAB Cc1nc2nc(SCc3cccc(S(=O)(=O)N(C)C)c3)nn2c(C)c1C 40119183 BGBPVYQGLRXFFX-UHFFFAOYSA-N 391.522 2.592 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)COc2ccc(Br)cc2)c1 41984248 QIMMDAHQQMYJPF-UHFFFAOYSA-N 388.225 2.751 0 40 GFAB Cc1cccc(C(=O)O[C@H](C(=O)N2CC(=O)Nc3ccccc32)C(C)C)c1O 42941727 KJOSOHOHGUILOH-IBGZPJMESA-N 382.416 2.867 0 40 GFAB C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc(N3CCOCC3)nc2)C1 48069595 QMYOBFJCTVKSDA-QGZVFWFLSA-N 375.517 2.552 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(OCc3nccn3C)cc2)n1 48235147 SHOGLXQQXGRYLG-OAHLLOKOSA-N 381.480 2.879 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)NCCNc1ccc(Nc2ccncc2)nn1 49343653 PLLVRQJTAMMRRN-UHFFFAOYSA-N 387.447 2.867 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C1 49592639 OSUBLGPYTBCSRC-GFCCVEGCSA-N 383.370 2.857 0 40 GFAB Cc1noc(C2CCN(C(=O)[C@@H](NC(=O)c3cccs3)C(C)C)CC2)n1 54665227 PHVPPFWPOANJAB-HNNXBMFYSA-N 376.482 2.600 0 40 GFAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1 55750131 XNHDGIKERDSFAE-OAHLLOKOSA-N 376.453 2.889 0 40 GFAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O 57525713 VJJIHQMFWYDJBO-UHFFFAOYSA-N 378.215 2.646 0 40 GFAB Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1 57670363 XTDGOZLJCMHBSN-PZJWPPBQSA-N 398.555 2.988 0 40 GFAB CC(C)c1nnc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)s1 58417496 LWZJOUQFIPCENA-CHWSQXEVSA-N 394.497 2.582 0 40 GFAB Cn1nc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2c1=O 58462615 LGYAHVPBSXPZLP-UHFFFAOYSA-N 382.851 2.549 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 58894116 JVIXJJIPARUNND-CYBMUJFWSA-N 382.424 2.871 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(N2CCCC2)n1 67257015 LYEPGPKFDMDHBP-UHFFFAOYSA-N 384.480 2.752 0 40 GFAB Cn1cccc(C(=O)NCC2CCN(c3nc4ccccc4s3)CC2)c1=O 70931492 HFYJLPMXLJRREH-UHFFFAOYSA-N 382.489 2.641 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)nc1)N(CCO)[C@H]1CCCc2ccccc21 72285548 DQBYJCGTZPUKOH-FQEVSTJZSA-N 396.491 2.822 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3nccs3)CC2)c(OC(F)F)c1 78942449 PQWLFIGKLMPQLA-UHFFFAOYSA-N 398.435 2.785 0 40 GFAB O=C(NCCCOC[C@H]1CCCO1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 84452047 MVASIVSIXLEMJZ-QGZVFWFLSA-N 387.480 2.760 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1C[C@H]1c1ccccc1Cl 84501999 BYVFPJSAZPOTQV-LSDHHAIUSA-N 389.883 2.814 0 40 GFAB CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1 95424978 MKORJBMVBJHVNJ-QGZVFWFLSA-N 386.473 2.804 0 40 GFAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCC1(CO)CCCCC1)CC2 95966769 HRJIMWDWPMURAD-CYBMUJFWSA-N 385.430 2.968 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccc(CCc2ccccc2)cc1)P(=O)(O)O 96125836 FHZGYMLWCVBBPM-SFHVURJKSA-N 397.433 2.910 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(C)cc2)cc1 100758406 IVURGWXIBVBMFH-ZCNNSNEGSA-N 377.444 2.539 0 40 GFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 108733204 BBCPRPMIHLAYPG-SFHVURJKSA-N 390.447 2.702 0 40 GFAB CC(C)c1ccccc1OCCNC(=O)c1ccccc1NS(C)(=O)=O 111120876 JFZSIFJFZISMBH-UHFFFAOYSA-N 376.478 2.990 0 40 GFAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223303885 WLMNTEDTIMRDHW-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccccc1Cl 223634818 JQTFGLOYENVCND-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 225425529 VUVPSTIOLZENAU-MRXNPFEDSA-N 390.505 2.751 0 40 GFAB O=C(CO[C@@H]1CCOC2(C1)CN(Cc1cccc(Cl)c1)C2)N1CCCC1 247723688 BDMVUMJVMJRXLA-GOSISDBHSA-N 378.900 2.712 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1 253605395 FRYYXTHIEXXRHV-AZUAARDMSA-N 385.489 2.683 0 40 GFAB Cc1c(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2c2nc(-c3ccccc3)no2)cnn1C 257299239 RPFYYMTYKPTRMQ-YQQAZPJKSA-N 399.476 2.693 0 40 GFAB Cn1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)cn1 306124931 CCNFSACTTOBDFD-PKOBYXMFSA-N 385.514 2.904 0 40 GFAB CN1c2ccc(NC(=O)CSc3ccc(F)cc3)cc2N(C)S1(=O)=O 390826143 CTIICOBMIPJAMZ-UHFFFAOYSA-N 381.454 2.687 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 409382926 YETIFJHCYIIPIH-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCO[C@@H](c2cccc(F)c2)C1 516932625 WTXXQYJDCFQLSM-AUUYWEPGSA-N 386.423 2.602 0 40 GFAB CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 578752950 XBFIYIPPGNSADB-ZCNNSNEGSA-N 393.549 2.855 0 40 GFAB CN(C)c1nc(O)cc(CN(C)[C@@H]2CCN(C/C=C/c3ccc(F)cc3)C2)n1 583622023 ZMGXDWOQFMZWSS-VZSQWMKGSA-N 385.487 2.607 0 40 GFAB COc1ccc(Cl)cc1[C@@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 585110568 HQQZRISANMZCMR-PVAVHDDUSA-N 394.899 2.679 0 40 GFAB COc1ccc(COCC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cn1 585123718 WIOMCLVBMHJACF-KRWDZBQOSA-N 384.480 2.546 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)n1 585147267 LLAXRPBBJGNTLF-JKNJVXJCSA-N 381.432 2.905 0 40 GFAB CC(C)(C)OC(=O)N1CCC(O)([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)CC1 601012564 NBKAMRXIAWQINC-AWEZNQCLSA-N 398.500 2.575 0 40 GFAB O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 618455250 HIJXBURSPGIMIR-IRFCIJBXSA-N 384.520 2.792 0 40 GFAB Cc1nc(C)n(CC(=O)N2Cc3cccc(C)c3NCC[C@H]3CC[C@@H](C2)N3C)n1 643574107 CAOSHJWDCFSXRX-UXHICEINSA-N 396.539 2.511 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)cc1 647623188 XJZWBNXDHKYRKJ-ZFWWWQNUSA-N 392.481 2.516 0 40 GFAB Cn1c(=O)sc2cc(CN3Cc4ccccc4C[C@H]3C(=O)NC3CC3)ccc21 648055814 ZOVDALOQPCGTBC-IBGZPJMESA-N 393.512 2.806 0 40 GFAB O=C(O)c1ccc(OC[C@H](O)CN2CCC3(CCc4ccccc4O3)CC2)cc1 659802297 QNNSVLYTMQTJQQ-LJQANCHMSA-N 397.471 2.984 0 40 GFAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(C2CC2)on1 1565542568 OWDGAPOLIGICIZ-IBGZPJMESA-N 378.432 2.841 0 40 GFAB FC(F)(F)c1nnc2ccc(N3CCC[C@@H](COc4ccncc4)C3)nn12 1776001634 DAVIASRMXJAAEN-GFCCVEGCSA-N 378.358 2.834 0 40 GFAB O=C(CCc1ccccc1Br)N1CCCN([C@H]2CCOC2)CC1 1848645534 FZDWVXVJFDKRMT-INIZCTEOSA-N 381.314 2.705 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(CC(=O)Nc2ccccc2F)CC1 1849182304 XOYIDRSVMKOCFU-UHFFFAOYSA-N 377.851 2.808 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5c(F)cccc5F)C[C@@H]4C3)n1)CCC2 1888885521 YEVRCQQOJYRENL-KBPBESRZSA-N 384.430 2.760 0 40 GFAB O=C(c1cncs1)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841160 YSICDERNWLCJSM-IBGZPJMESA-N 389.452 2.711 0 40 GFAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)c2ccc(OC)nc2)C3)cc1 2056224799 WIZITBPCIKNFSI-INIZCTEOSA-N 385.489 2.911 0 40 GFAB COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N(C)C)cc1 2645135 AYXKIYMOWIDONS-KRWDZBQOSA-N 388.464 2.754 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1 2620729 LQXXAYVTSBKCEQ-UHFFFAOYSA-N 381.406 2.602 0 40 GFAB CC(C)(C)c1cnc(CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)o1 46503533 AKNJFSCWILCRRY-KRWDZBQOSA-N 385.464 2.599 0 40 GFAB CCOC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc1N 917466 QKOFPROIHVCEOQ-LLVKDONJSA-N 388.449 2.557 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)cc1OC 77100522 MIPDSEBJNCBRFQ-RDTXWAMCSA-N 396.447 2.520 0 40 GFAB CC(C)(C)C(=O)Cn1cc(C(=O)NCc2ccccc2CN2CCCCC2)nn1 78964419 MIQBQEIFIRJVRB-UHFFFAOYSA-N 397.523 2.809 0 40 GFAB Cc1nc(/C=C/C(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)cs1 12230339 JBCHKAACUUZUQH-RMKNXTFCSA-N 391.518 2.694 0 40 GFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCCc1ccccc1 4932853 JZSMOLRARYNWKN-UHFFFAOYSA-N 375.354 2.718 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2OC)C1=O 6648377 FLFQXBVTKAZGJG-UVTDQMKNSA-N 378.450 2.656 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1Cl 12323831 VQDXYVANFAMEOY-NSHDSACASA-N 384.823 2.638 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 800954 OXZJZDWZEMQVRE-UHFFFAOYSA-N 384.417 2.538 0 40 GFAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)NC(C)C 8475856 RHNIYSSQCQHSGG-CQSZACIVSA-N 376.478 2.873 0 40 GFAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2ccccn2)CC1 23763432 WUZJNABLLHLUAK-UHFFFAOYSA-N 386.304 2.895 0 40 GFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1 42792421 IHTAYPVUGARFDA-UHFFFAOYSA-N 390.339 2.830 0 40 GFAB CC(=O)N1CCC(CNC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)CC1 105312810 CLAQUBIWSUDSTQ-UHFFFAOYSA-N 385.508 2.858 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2c(F)cccc2Cl)CC1 24002365 TYNONZWVMMRKDH-LJQANCHMSA-N 390.842 2.963 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 28209502 GIKVTTBJCNNUHX-MRXNPFEDSA-N 392.864 2.967 0 40 GFAB Cc1csc(=O)n1CCCC(=O)Nc1cc(Cl)ccc1-n1cncn1 26368673 IAKVINILEASSQF-UHFFFAOYSA-N 377.857 2.871 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc(Cl)cc2)ccc1O 3286124 DWMFHGOTRSPAEN-WEVVVXLNSA-N 375.808 2.927 0 40 GFAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 57991892 FSLPFYJZGXMYRC-HUUCEWRRSA-N 397.479 2.716 0 40 GFAB Cc1nc2sc(C(=O)O[C@@H](C)C(=O)NCC3CCCCC3)c(C)c2c(=O)[nH]1 10146716 RRKKOCAQXDRKFO-NSHDSACASA-N 391.493 2.843 0 40 GFAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 27594540 LENBNVUKJOMHGX-SJLPKXTDSA-N 387.455 2.690 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)[C@H](C)Oc3ccc(C)cc3)C(=O)[C@@H]21 102217366 DFFRHIGGYFKYAY-GGLGGFLESA-N 382.460 2.771 0 40 GFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3N3CCCN23)cc1 100776893 ZNHQAQNZJHWOBI-ACRUOGEOSA-N 391.471 2.848 0 40 GFAB Cc1ccc(C)c(-n2ccnc2S(=O)(=O)CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 48333897 BFJFXNKKVMOZAQ-HOTGVXAUSA-N 389.521 2.767 0 40 GFAB COc1cc(CC(=O)NC[C@H](C)Cn2nc(C)cc2C)cc(OC)c1OC 48333407 NHFZIHFNCKOJFI-ZDUSSCGKSA-N 375.469 2.521 0 40 GFAB CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 48354757 CVHPJXRTJISWTL-UWJYYQICSA-N 392.565 2.901 0 40 GFAB COc1ccc(OC)c(-n2cc(C(=O)c3ccccc3O)cc(C(C)=O)c2=O)c1 12986786 JRISWGQSTUGRHL-UHFFFAOYSA-N 393.395 2.994 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc2c3c(cccc13)CC2)C(=O)OC 12901962 YEWSMSVBJWDVEY-XCLFUZPHSA-N 383.444 2.799 0 40 GFAB CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CCCCC1 12936475 MYUWQCRKCJWRTP-UHFFFAOYSA-N 389.521 2.639 0 40 GFAB COc1c2c(cc3c1[C@H](C1=C(O)OC4(CCCC4)OC1=O)N(C)CC3)OCO2 4090467 NSDHFOMTAUWKSU-OAHLLOKOSA-N 389.404 2.566 0 40 GFAB biogenic CCCNC(=O)[C@@H](C)NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 9112635 OYQZGZHXOPVVHZ-CYBMUJFWSA-N 386.521 2.512 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)c1ccccc1 5791792 JFHYSXZSNBYVIQ-FKIZINRSSA-N 387.386 2.609 0 40 GFAB CCc1ccc([C@H]2COCCN2C(=O)CN2CCCc3sccc3C2=O)o1 83825449 XQQPNQZSKKRCSB-MRXNPFEDSA-N 388.489 2.892 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 15182924 UBRYUCOAHVKPBK-LURJTMIESA-N 386.248 2.725 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccccc1Cl 5937474 WIBHMSOZJWAIEA-GFCCVEGCSA-N 389.839 2.966 0 40 GFAB C[C@@H]1CN(Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C[C@@H](C)O1 25512004 ZBFLMORNTCRUDU-CHWSQXEVSA-N 398.488 2.846 0 40 GFAB CNC(=O)c1cccc(NC(=O)CSc2nncn2-c2ccc(C)cc2C)c1 7098144 GKQUVNSRUSKPAP-UHFFFAOYSA-N 395.488 2.975 0 40 GFAB COC(=O)c1cc(OCC(=O)N[C@H](C)CCCC(C)C)cc(C(=O)OC)c1 7771428 HVEVXXHYGDYODW-CQSZACIVSA-N 379.453 2.970 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1C 8338088 FVWUGVUFVCUFGJ-OAHLLOKOSA-N 383.423 2.550 0 40 GFAB O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8367483 WJYRNHKNEHWWKS-ZIAGYGMSSA-N 376.503 2.951 0 40 GFAB COC(=O)c1cc(CNC(=O)CCc2ccc(OC)c(OC)c2)ccc1OC 18059607 GIBZKJPOBYHPJW-UHFFFAOYSA-N 387.432 2.748 0 40 GFAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3occc3COc3ccccc3)CCO2)n1 72303619 FCEVGMDGHTYVPL-LJQANCHMSA-N 396.447 2.608 0 40 GFAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@H]1CCc2ncnn2C1 97002471 NBLICYUZTXJVTK-LBPRGKRZSA-N 391.357 2.619 0 40 GFAB COc1cccc([C@H](C)CC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 95459285 WCRGEURGCVWEMS-OAHLLOKOSA-N 397.475 2.753 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1cccc(Br)c1 67197522 NSVAQJRMTZPDDE-UHFFFAOYSA-N 392.205 2.651 0 40 GFAB CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCc1cccs1 12279843 VZQMUPSPXBRFNT-UHFFFAOYSA-N 382.489 2.962 0 40 GFAB COc1ccc(OC(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)cc1 408976685 SHCKXMRXNUEJCR-UHFFFAOYSA-N 375.340 2.505 0 40 GFAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(Cl)cc2)cc2c(O)nnc1-2 524735145 YZBFNAKLFJQNPF-ZDUSSCGKSA-N 375.768 2.593 0 40 GFAB COCCOc1ncccc1CNC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527680762 HFQNLPLMSYRUOT-GJZGRUSLSA-N 381.423 2.969 0 40 GFAB COc1cc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)cc(OC)c1 32643000 JZPFRBZWXRWSIY-UHFFFAOYSA-N 394.431 2.736 0 40 GFAB Cn1cc(NC(=O)c2ccc3c(Br)cnn3c2)c(Br)n1 1538657970 VEYUZLZVRYCHOG-UHFFFAOYSA-N 399.046 2.845 0 40 GFAB CC(C)CN1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 35424689 SLYLSGBTVIYPPM-KRWDZBQOSA-N 398.511 2.626 0 40 GFAB biogenic,in-vitro Cc1c(C(=O)NC[C@H]2CCCO[C@@H]2c2cn[nH]c2)cnn1-c1ccc(F)cc1 1553834230 CXZXHDLOJXYYIH-KUHUBIRLSA-N 383.427 2.941 0 40 GFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 225846911 ZSLBYFOKZKAMQX-SFHVURJKSA-N 390.505 2.892 0 40 GFAB COc1ccccc1Oc1ccc(NC(=S)NCCN2CCOCC2)cn1 223894432 QFLMJODKIXYMOB-UHFFFAOYSA-N 388.493 2.501 0 40 GFAB CCC(=O)c1ccc(OCC(=O)N2CCCN(C(=O)C3CCCC3)CC2)cc1 40072451 MNYQYXOYUSGJMB-UHFFFAOYSA-N 386.492 2.909 0 40 GFAB CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224348135 MRYBMIGLLIIYBD-UHFFFAOYSA-N 382.869 2.923 0 40 GFAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225187101 ARVJRSHZPZXGAC-CQSZACIVSA-N 392.477 2.635 0 40 GFAB CCn1cccc1-c1noc(CNC(=O)c2cncc(Br)c2)n1 225769723 BOLQVRNIJQPZJO-UHFFFAOYSA-N 376.214 2.646 0 40 GFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(N2CCCC2)nc1 96402281 ZHPJFQBMOUBPCS-UHFFFAOYSA-N 380.448 2.826 0 40 GFAB CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1 96088577 PGHWXWOYMBGRDE-FDFHNCONSA-N 386.455 2.919 0 40 GFAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2c(Cl)cccc21 96345005 XSZKMGCETZFUNB-UHFFFAOYSA-N 384.867 2.547 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3ccccc3Cl)[C@@H]2C1 96080565 LTIICTDNKUPHIX-PKOBYXMFSA-N 376.909 2.986 0 40 GFAB O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1cccnc1 96146778 USKXUNGDDYDFBZ-UHFFFAOYSA-N 378.457 2.714 0 40 GFAB Cn1nc(C(=O)N2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c2c1CCCC2 585140286 BDLKAYJYNKQNPD-OAHLLOKOSA-N 393.451 2.506 0 40 GFAB CN(Cc1ccc(OCCn2cccn2)cc1)C[C@@H](O)COc1ccccc1 257266367 MCRJGJOFKFEQBW-HXUWFJFHSA-N 381.476 2.834 0 40 GFAB O=C1N(CCc2ccccc2)CC=CC[C@@]12CN(Cc1ccccn1)CCO2 257251223 JPYFMSDMEAEMKE-HSZRJFAPSA-N 377.488 2.684 0 40 GFAB Cc1cnc2c(S(=O)(=O)Nc3ccc4[nH]nc(C(=O)O)c4c3)cccc2c1 1600624540 HSIYRXGHFANVPW-UHFFFAOYSA-N 382.401 2.919 0 40 GFAB COC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516404 SJBRWGDXJVFINB-LMMKCTJWSA-N 375.515 2.854 0 40 GFAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CCN(c2ccccc2)CC1 256047061 KASURAXXNVMNGV-UHFFFAOYSA-N 383.839 2.946 0 40 GFAB CCN1CCN([C@H]2CCN(C(=O)Nc3cc(F)cc(OC(F)F)c3)C2)CC1 603161565 OZDAGOUMQXSBNK-HNNXBMFYSA-N 386.418 2.671 0 40 GFAB O=C(COc1ccccc1F)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 90593571 BKUPSASKNHIDEQ-UHFFFAOYSA-N 397.362 2.941 0 40 GFAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CCO[C@H]2CC2(F)F)C1=O 663938324 CASFEWGHYKEPKH-SMDDNHRTSA-N 389.196 2.640 0 40 GFAB COc1ccc(C(=O)O)cc1CN1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 1704307626 CSYITVIVNBROPV-JOCHJYFZSA-N 396.491 2.729 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575614156 XCIPJRXNZPNIRO-AWEZNQCLSA-N 385.848 2.810 0 40 GFAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585290772 FBPQURFMPZJQCJ-DKRLNXSXSA-N 389.463 2.686 0 40 GFAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)n2)s1 585262531 DBAZUKUQLVEYCE-HNNXBMFYSA-N 385.493 2.575 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 66347150 IRJKDXJIKIHMBL-HNNXBMFYSA-N 395.442 2.758 0 40 GFAB O=C(c1cc(S(=O)(=O)N[C@H]2CCc3c(Cl)cccc32)c[nH]1)N1CCCC1 57021559 PCOIOCIKVSPWFJ-INIZCTEOSA-N 393.896 2.870 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccccc3)cn2)CCO1 57172150 NJEQFOVTBTUYPL-RXVVDRJESA-N 394.519 2.588 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCC(=O)N1CCCc2ccccc21 57270929 ZAPCWLQXIDBFLX-MRXNPFEDSA-N 389.455 2.597 0 40 GFAB O=C(CCOc1ccccc1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156653 JRBGFICWGTVMCS-HSZRJFAPSA-N 394.471 2.880 0 40 GFAB O=C(Nc1nccs1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 5298895 MWMZADWXEONCLE-MRVPVSSYSA-N 377.900 2.650 0 40 GFAB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5706615 JXLRIEAELYWLGD-MOPGFXCFSA-N 398.459 2.894 0 40 GFAB O=C(N1CC[C@@H](CO)C1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088973 MTIXIUPKRYOONW-GOSISDBHSA-N 380.488 2.929 0 40 GFAB CCn1c(N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)nc2ccccc21 12145840 QLKFUACXFAGEJH-KRWDZBQOSA-N 380.496 2.676 0 40 GFAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)N2CCC(C)CC2)c2ccccc12 14136041 XVQLWXOKCCVXGZ-UHFFFAOYSA-N 383.492 2.951 0 40 GFAB Cc1cccc(N2N=C(C(=O)NCC(=O)Nc3cccc(C)c3C)CCC2=O)c1 14232553 SCYATPSRLQSUSW-UHFFFAOYSA-N 392.459 2.850 0 40 GFAB CC(C)n1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cn1 19454859 ACXSHHVQSKDVPQ-UHFFFAOYSA-N 396.447 2.530 0 40 GFAB CCOc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 19532823 YIFGGZYBIJEEME-UHFFFAOYSA-N 394.519 2.812 0 40 GFAB CCOc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@H](C)C4)nc3C2)cc1 19533378 FSSBVWAYPXUUGT-IYBDPMFKSA-N 398.507 2.753 0 40 GFAB CN(C(=O)CCc1cccnc1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586682 GGAMAYDPUWLXFB-UHFFFAOYSA-N 393.487 2.976 0 40 GFAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2OC)c(OC)n1 105717144 OQFAKUUEHKZPNS-GWTOYCKXSA-N 385.464 2.517 0 40 GFAB O=C(c1cscn1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12226951 WFQZXWRTDBWCOA-VIFPVBQESA-N 382.371 2.619 0 40 GFAB CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257269335 MPNLUWMCCBXUSM-SAOALYKGSA-N 396.535 2.575 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCc2ccncc2)Nc2ccccc21 257300620 RVCHXYZHCKAIMA-UNMKOGDSSA-N 376.460 2.686 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888878931 BXUSFMZHXQGMSC-VFNWGFHPSA-N 379.460 2.895 0 40 GFAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CC[C@H](C(=O)NC(C)(C)C)C3)ncc12 1889096871 NZZHMODDZVZMKU-HNNXBMFYSA-N 397.523 2.956 0 40 GFAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cccn(C)c2=O)C1 1889130412 BSDHKOYFIJLVLX-ZDUSSCGKSA-N 394.397 2.540 0 40 GFAB COc1ccc(CCN2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1 1889138833 UJCCRSFXMUUKAH-UHFFFAOYSA-N 381.524 2.759 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 15605145 OJPUMSAJXLBBAH-INIZCTEOSA-N 380.853 2.533 0 40 GFAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCCO2)Nc1cccc2nsnc12 19077608 DKSWSLCDSFJTQK-FNORWQNLSA-N 397.412 2.658 0 40 GFAB Cc1cccc(NC(=O)CSCC(=O)NC[C@H](c2ccco2)N(C)C)c1 22381098 HTOOKRYDJFDLMU-MRXNPFEDSA-N 375.494 2.679 0 40 GFAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)c4nccn4C)CCO3)n2)s1 2037835871 DXZCRQHXXUNEBT-CQSZACIVSA-N 384.465 2.537 0 40 GFAB O=C1COC[C@]2(CCN(Cc3ccc4c(c3)OCCO4)C2)CN1c1ccccc1 2037978436 WDGKDOFONJUBIS-QHCPKHFHSA-N 394.471 2.713 0 40 GFAB COc1cc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)ccc1OC(C)C 2037984076 PHHINFXEFDNFJH-OAQYLSRUSA-N 376.497 2.696 0 40 GFAB CC(C)(C)c1cn2nc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2n1 2087045497 SSFPUURZIGOGPQ-UHFFFAOYSA-N 377.492 2.985 0 40 GFAB O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccc(Br)cc1 4033675 WYZDUHGZWVVPDF-UHFFFAOYSA-N 384.233 2.983 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(F)cc3F)n2)cc1 9660865 NUIMMIFZQQFAJZ-UHFFFAOYSA-N 385.370 2.627 0 40 GFAB Cc1cc(N2C[C@@H]3CN(c4ccc(Br)cn4)C[C@@H]3C2)n2nccc2n1 2298223895 YLHCJLASYOMUSK-OKILXGFUSA-N 399.296 2.768 0 40 GFAB CCc1ccc(NC(=O)Cn2ccc3c(OCC(=O)OC)cccc3c2=O)cc1 2712379 VJJJCODBJBZPEM-UHFFFAOYSA-N 394.427 2.754 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 3363862 LZGMTRHJVPZBFE-APWZRJJASA-N 387.480 2.970 0 40 GFAB aggregator C[C@H](c1ccccc1)N(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 30120937 HZDUIGVSEWRFCK-OAHLLOKOSA-N 389.473 2.841 0 40 GFAB CCOc1ccc(CCNC(=O)CNC(=O)NC2CCCCC2)cc1OCC 40157107 UXFDJMXELXEVKB-UHFFFAOYSA-N 391.512 2.775 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3F)CC1)C(=O)C2 100862682 BPXNLJUCFQEUQC-QRWLVFNGSA-N 394.512 2.673 0 40 GFAB Cc1ccccc1OCCN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 32810637 RJYLOVPXEKTSBR-UHFFFAOYSA-N 388.489 2.686 0 40 GFAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 627583 GCWSGQPKIODBTC-NFOMZHRRSA-N 387.432 2.876 0 40 GFAB biogenic CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(C)cc2)cc1 817117 RQYLUHJOUBORJP-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2150766 SVCBOTIKJUIHHB-SWLSCSKDSA-N 375.421 2.801 0 40 GFAB biogenic Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)no1 2619302 QKZYESOAWQAZSO-MRXNPFEDSA-N 397.218 2.696 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 3479417 SMGQINIVEPAJFU-LBPRGKRZSA-N 381.384 2.626 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 4001666 QAZFXYYWNOADND-UHFFFAOYSA-N 388.445 2.558 0 40 GFAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4086249 GFQDWFQULTXWLV-VBQJREDUSA-N 376.478 2.651 0 40 GFAB biogenic CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 4087884 LKSSGYMDERFHJF-LBPRGKRZSA-N 395.462 2.953 0 40 GFAB COc1ccc([C@@H]2c3cc4c(c(OC)c3C[C@H]3OCC(=O)[C@@H]32)OCO4)cc1OC 5081464 XPWTYDWZZDAXDF-RLLQIKCJSA-N 398.411 2.713 0 40 GFAB COc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1F 5190945 LYOWIARHIZQEDH-UHFFFAOYSA-N 378.363 2.613 0 40 GFAB CCc1nn2c(=O)cc(CSc3nnc(Cc4ccccc4)o3)nc2s1 5321337 WCRPMTWUMYJSJL-UHFFFAOYSA-N 385.474 2.980 0 40 GFAB COc1ccc(NC(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)cc1 6800259 GBEFAVKHNWVEQK-UHFFFAOYSA-N 385.445 2.506 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2)n1 6933150 CGQSXKIMKQNLDE-HNNXBMFYSA-N 398.488 2.628 0 40 GFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 7071040 HJHVQLHWDUFOJR-WWNSAXIVSA-N 394.405 2.981 0 40 GFAB CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C(F)(F)F)cc1 7106932 CPGVHEOSLSXZSK-UHFFFAOYSA-N 387.383 2.671 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7130425 NRQAQQVPSQGCGR-BDAKNGLRSA-N 380.495 2.859 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)OCc2c(F)cccc2Cl)nc1N 7147626 CUDQEBMOJIVUAV-UHFFFAOYSA-N 399.831 2.864 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2)cc1 8413568 JWSQGTJNVCVZOQ-UHFFFAOYSA-N 397.431 2.854 0 40 GFAB O=C(Nn1cnc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 8746263 JZZPARXYWQTDPC-UHFFFAOYSA-N 390.852 2.514 0 40 GFAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)Nc1ccccc1C(=O)NC1CC1 9157791 LXZZCIYNTVRKGQ-UHFFFAOYSA-N 389.358 2.951 0 40 GFAB COc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(C)=O 9260408 ATVAKDFFVVEPEK-GOSISDBHSA-N 387.461 2.764 0 40 GFAB CCN1CCN(c2nc(C)c(Cc3ccc(Br)cc3)c(=O)[nH]2)CC1 9614619 MFJXCLZHNAPZJS-UHFFFAOYSA-N 391.313 2.574 0 40 GFAB Cn1ncc2c(SCc3nc(N)nc(Nc4ccc(Cl)cc4)n3)ncnc21 11685708 WVKGGTJNJAUKFB-UHFFFAOYSA-N 399.871 2.820 0 40 GFAB Oc1nc(-c2ccccn2)nc2c1CN(Cc1cccn1-c1cccnc1)CC2 12089510 LVCXATUVJGCVCI-UHFFFAOYSA-N 384.443 2.988 0 40 GFAB COC[C@H](C)NC(=O)C1(C[C@@H]2CC(c3ccccc3OC)=NO2)CCOCC1 12226460 WPFXQSPZXZMKKO-HOTGVXAUSA-N 390.480 2.526 0 40 GFAB COC[C@@H](C)NC(=O)C1(C[C@H]2CC(c3ccccc3OC)=NO2)CCOCC1 12226465 WPFXQSPZXZMKKO-HZPDHXFCSA-N 390.480 2.526 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc3c(c2)OCO3)c1C 12624018 BJADCCRBSZGVAX-UHFFFAOYSA-N 376.434 2.535 0 40 GFAB COc1ccccc1OCC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669282 SYLPHDBVAIEYBM-UHFFFAOYSA-N 394.431 2.925 0 40 GFAB Cc1cc(N2CCN(CC(=O)NCc3ccc(C)c(F)c3)CC2)nc(C(C)C)n1 12788312 VNIIBSMBIDZFRD-UHFFFAOYSA-N 399.514 2.794 0 40 GFAB COC(=O)c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1 12898512 UHAYUTCECMZNCL-MRXNPFEDSA-N 389.839 2.543 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 12915826 SJZXWOJZUTUDKL-KRWDZBQOSA-N 393.443 2.753 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 12983356 WRYISISDFKKXQH-UHFFFAOYSA-N 377.853 2.716 0 40 GFAB O=C(CNC(=O)c1cccc(Br)c1)NCCCc1ccccc1 13135201 AXHSCBGUPZLHBS-UHFFFAOYSA-N 375.266 2.928 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)no1 13625769 XCLJIXXMLYMVTE-DHALZPNHSA-N 387.480 2.600 0 40 GFAB COC(=O)c1ccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1 14245426 CQBYKSGVPOUMJB-UHFFFAOYSA-N 388.464 2.611 0 40 GFAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 14361550 HGZAWDIVNTUUFU-NILFDRSVSA-N 382.382 2.885 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1[C@@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15105969 HTMIVWKRALTAAE-LRXVAGHRSA-N 393.443 2.823 0 40 GFAB Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(-c3ccccc3)nc2n1 15780407 BYKXRYZFTMMJGH-UHFFFAOYSA-N 388.431 2.655 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O 15842699 VCRGIFSJVFQUKL-GFCCVEGCSA-N 392.864 2.583 0 40 GFAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCC(=O)Nc1ccc(F)c(F)c1 16060205 WHPRWWKWCHIVPP-RMKNXTFCSA-N 382.370 2.919 0 40 GFAB COc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 16202899 PGWKEDNPHNKEHA-UHFFFAOYSA-N 387.395 2.940 0 40 GFAB O=C(Nc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 16305551 KPTAOMQVOZJNJR-MRXNPFEDSA-N 396.415 2.674 0 40 GFAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCCN1CCN(c3ccccn3)CC1)C2=O 18275955 NCMIPRCQUMYAEC-JPYJTQIMSA-N 398.551 2.795 0 40 GFAB CN(C)C1CCC2(CC1)CN(C(=O)CCCn1cncn1)Cc1ccccc1O2 19583987 IGOUJYBXTKJHRC-UHFFFAOYSA-N 397.523 2.723 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H]1c1cc(CCOc2ccccc2Cl)[nH]n1 19703615 ZTLAQIAWEWFFHQ-INIZCTEOSA-N 398.916 2.628 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCCc3ccccn3)n1)CCN(C)C2 19708655 KPZLGLYORJWFNB-HXUWFJFHSA-N 394.523 2.588 0 40 GFAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2Cc1ccc(OCCN2CCCC2=O)cc1 19713177 SGJQNIJROYPRIC-LEWJYISDSA-N 399.535 2.663 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N(C)C3CCCC3)CC2)c1 20038916 IVZUUMRYHHCAFC-UHFFFAOYSA-N 378.538 2.938 0 40 GFAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(C=O)CC3)cccc2c1=O 20723613 DVDMYWSPCXMSHL-UHFFFAOYSA-N 376.412 2.683 0 40 GFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCCc1ccccc1 21329561 DSPOCEFGESEOCO-IBGZPJMESA-N 386.517 2.662 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 21756839 ODXCPJOJSXKBMO-UHFFFAOYSA-N 388.489 2.597 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)ccc2F)cc1 22227418 SHULJLCQYRJUBM-UHFFFAOYSA-N 382.432 2.624 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(-c3c(C)nc4sccn34)n2C)no1 23141436 KXBJRBVQJHBEGO-UHFFFAOYSA-N 389.466 2.527 0 40 GFAB COc1ccccc1N[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 23416019 IRJYFXAAUDHKAY-JTQLQIEISA-N 381.354 2.668 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)NC[C@@H](c1ccccc1)N1CCCC1 23742346 JVEZIDSQYQXLCS-SFHVURJKSA-N 396.516 2.801 0 40 GFAB COc1cccc(N2CCN(C(=O)Cc3csc(-n4cccc4)n3)CC2)c1 30819438 CMZWBATWIVZRHN-UHFFFAOYSA-N 382.489 2.834 0 40 GFAB CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(C)(=O)=O 30848492 ANSRXBDZWPZQMG-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB Cc1c(NC(=O)NCc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 30984550 ZNFUFOMZCHXFAH-UHFFFAOYSA-N 380.404 2.535 0 40 GFAB CCn1c(=O)c2ccccc2n2c(COc3ccc(NC(C)=O)cc3)nnc12 31556779 ZSHJWHWMLBKNPM-UHFFFAOYSA-N 377.404 2.602 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc3c2OC(C)(C)C3)s1 32548991 MJFBRITTWJVISE-UHFFFAOYSA-N 381.475 2.865 0 40 GFAB CN1CCCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 32578983 BKGVURGRYTZYTE-UHFFFAOYSA-N 392.459 2.947 0 40 GFAB C[C@@H](CNC(=O)c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 32724100 LKIZREATXFFINA-SFHVURJKSA-N 395.503 2.788 0 40 GFAB CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccn1 35291585 VJDYLVMHZQHUMK-DOMZBBRYSA-N 375.498 2.830 0 40 GFAB CCN1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 35310867 RHNTXWMAOWIHMY-SFHVURJKSA-N 386.500 2.649 0 40 GFAB COc1ccc(CNCC2=NO[C@@H](Cc3cc(OC)c4c(c3)OCO4)C2)cc1 35327615 CVFBJRSNXBLNBR-SFHVURJKSA-N 384.432 2.910 0 40 GFAB CS(=O)(=O)Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCC2)cc1 44661764 SPRADAXCIKPYRX-UHFFFAOYSA-N 376.453 2.935 0 40 GFAB O=C(CCc1ccccc1Br)NCC(=O)NCc1ccccc1 48363500 UUYHTNZUPKFZKQ-UHFFFAOYSA-N 375.266 2.814 0 40 GFAB Cc1cc(-n2nnc(C(=O)NCc3ccccn3)c2C)ccc1Br 51317930 PFIRSQRRVGNQKS-UHFFFAOYSA-N 386.253 2.972 0 40 GFAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)N[C@@H]2CCCCNC2=O)CC1 52522680 JKPFIFBXKRHPSJ-MRXNPFEDSA-N 377.872 2.613 0 40 GFAB COC(=O)c1sc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nc1Cl 53553323 BQNULWFYTSMZAC-SECBINFHSA-N 384.841 2.654 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@H]1c1cccc(F)c1 55862160 NWEHVUQCSMNBDP-SFHVURJKSA-N 376.453 2.858 0 40 GFAB CCc1cc2c(=O)n(CC(=O)NCCOc3ccc(Cl)cc3)cnc2s1 57954387 DXVDEKCWWMMKNF-UHFFFAOYSA-N 391.880 2.869 0 40 GFAB Cc1ccc(C)c(OC[C@H](O)Cn2nc(N3CCOCC3)sc2=S)c1 58081084 XHVRQXZPECMPRZ-CQSZACIVSA-N 381.523 2.567 0 40 GFAB COc1cc(NS(=O)(=O)c2cc(C)ccc2O)ccc1N1CCCC1=O 65625652 YALPCPZPIMGQEZ-UHFFFAOYSA-N 376.434 2.637 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccccc1OCC 67286793 LKAGDRPTMZOJOC-IBGZPJMESA-N 387.480 2.742 0 40 GFAB COc1ccccc1N1CCN(C[C@@H](CC(=O)Nc2ccccc2)C(=O)O)CC1 71280907 SAJYTCXUEMWUKC-QGZVFWFLSA-N 397.475 2.547 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(OCCCOc2ccccc2)C1 72311803 NBWOUFGQOGHKGC-OAHLLOKOSA-N 378.469 2.596 0 40 GFAB O=C1N[C@]2(COC3(CCN(C(=O)C4CCCCC4)CC3)C2)Nc2ccccc21 72325191 VVHFVDXBVHRERB-JOCHJYFZSA-N 383.492 2.900 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(N4CCCCC4)nc3C2)c(OC)c1 72347209 ABBIILKLFGKTLS-UHFFFAOYSA-N 384.480 2.748 0 40 GFAB COc1cc(CNC2CCCCCC2)ccc1OCC(=O)N1CCOCC1 72659229 CMCJSQJQBCOAIQ-UHFFFAOYSA-N 376.497 2.745 0 40 GFAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C2)CC1 78718447 NTMFIMZXUBLACN-OALUTQOASA-N 377.573 2.994 0 40 GFAB Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CS2 90609565 FFRFVERLEALSIK-JTQLQIEISA-N 385.367 2.811 0 40 GFAB CN(C)CCC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 95365111 DDBVJCOLMRCQOP-UHFFFAOYSA-N 375.332 2.802 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cnn(-c2ccccc2)n1 95456530 YYBCUTFHUPVGMB-UHFFFAOYSA-N 378.388 2.640 0 40 GFAB O=C(Nc1ccc(CN2CCOCC2)cn1)c1ccc(C(=O)c2cc[nH]c2)cc1 95976319 XOEUCWXJMTYTJV-UHFFFAOYSA-N 390.443 2.725 0 40 GFAB O=C(c1ccccc1Br)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104300 HRJUNBBYKZXAKW-UHFFFAOYSA-N 398.253 2.887 0 40 GFAB CO[C@](C)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 96393116 DCJWJJSWEFCAPV-LJQANCHMSA-N 390.823 2.685 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 100889768 FQJXTMSMRXNBOF-SJORKVTESA-N 397.822 2.580 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 101021617 UZTJJCITPDODGP-BGHFTGAHSA-N 391.254 2.985 0 40 GFAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CCN(c2nccs2)CC1 102829319 DASNRJNGYIFZAE-RCCFBDPRSA-N 377.554 2.635 0 40 GFAB CCCc1noc(CN2CCCN(Cc3csc([C@H](C)OC)n3)CC2)n1 107074665 RSMGGCKCGNDPOK-AWEZNQCLSA-N 379.530 2.894 0 40 GFAB C[C@@H]1CN(CC2CCN(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)C[C@@H](C)O1 107349958 FUZIDKSXUOOURP-DHNHVGITSA-N 391.600 2.749 0 40 GFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)no1 108234224 XCLJIXXMLYMVTE-IDRAQACASA-N 387.480 2.600 0 40 GFAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 108929003 NBEAZLYVFAXYRK-IAGOWNOFSA-N 393.553 2.920 0 40 GFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@@]12O 118912560 PVAMXWLZJKTXFW-UUSCKQFISA-N 390.520 2.575 0 40 GFAB in-vitro C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 123341638 BIEADAHRODWPEW-NYHYSJHRSA-N 388.504 2.783 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)cc1 145535223 FZWUNXSFFVWWGQ-UHFFFAOYSA-N 381.381 2.590 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169293775 HPUXACWYEUDBLN-OZQHCQBDSA-N 396.418 2.516 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218057265 RYHGUKGEQGOVDM-AOIWGVFYSA-N 393.892 2.788 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CO)CO)cc1 218503172 JRQMMWISXPPMGY-MSOLQXFVSA-N 380.893 2.813 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCCO)cc1 223421750 CBHVJDHVTUEJAM-UHFFFAOYSA-N 392.477 2.765 0 40 GFAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 223621197 SWJRZAQNPDBARW-UHFFFAOYSA-N 378.469 2.567 0 40 GFAB Cc1nc(COCC[C@H]2CN(C(=O)N3CCCC3)Cc3ccnn32)cs1 306124359 BNLKREVRZAJOAA-KRWDZBQOSA-N 375.498 2.827 0 40 GFAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 408585235 XYMPELKHVRPPBT-UHFFFAOYSA-N 375.494 2.985 0 40 GFAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCc2c([nH]c3ccccc23)C1 563282717 LIFLHUHXCIMQFS-CQSZACIVSA-N 377.444 2.929 0 40 GFAB Cn1ncc2ccc(CNC(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)cc21 585085290 MMVANEWKJQCWQK-NSHDSACASA-N 377.370 2.737 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c1F 585091177 VMDDRNVLERIJOW-UHFFFAOYSA-N 393.436 2.641 0 40 GFAB CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1sccc1Cl 585094365 PUTWVHSHLCCPKC-LBPRGKRZSA-N 378.947 2.665 0 40 GFAB C[C@@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)c1cscn1 585114115 XAOXVVCLUSXXBT-SNVBAGLBSA-N 382.283 2.880 0 40 GFAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cscc1C(F)(F)F 622120814 DXIHHOLKSABBCX-SECBINFHSA-N 391.392 2.732 0 40 GFAB O=C(O)c1ccc2scc(-c3ccc(S(=O)(=O)NCCO)cc3)c2c1 623329292 KWRFWPFLOIUSMW-UHFFFAOYSA-N 377.443 2.537 0 40 GFAB C[C@H]1C(=O)Nc2cc(C(=O)N3CC[C@H](Oc4cccc(F)c4)C3)ccc2N1C 680117909 IHJVBTVNUQOKIG-GUYCJALGSA-N 383.423 2.896 0 40 GFAB Cc1cc(CN2CC[C@H]3[C@H](CC(=O)N(C)Cc4ccccc4)OC[C@H]3C2)n[nH]1 1565552712 UDBPBMWHHUDUFE-NRSPTQNISA-N 382.508 2.604 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cc3sc(=O)n(C)c3cc2C)c1 1632550743 BEOVTTJUWAZVRJ-UHFFFAOYSA-N 383.429 2.991 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4ccccn4)CC3)c2F)cc1 1775974482 HLIJVVRPMVIBPB-UHFFFAOYSA-N 393.422 2.649 0 40 GFAB O=C(NC1CCCC1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1776001065 XVMNJFQRUAILKL-GFCCVEGCSA-N 383.290 2.982 0 40 GFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(C)cc2C)nn1 1888879542 OEGRELHWUOSXKO-JWTNVVGKSA-N 390.509 2.598 0 40 GFAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3ccc4c(c3)CCO4)s2)cn1 1889226146 KDXQCJRGGYHQHG-UHFFFAOYSA-N 389.502 2.605 0 40 GFAB Cn1ncc(I)c1C(=O)Nc1nc2ccccc2s1 994392 UFSBWSNRAXECRH-UHFFFAOYSA-N 384.202 2.887 0 40 GFAB COC(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 33317583 OOVRUMAUFUJHMG-OAHLLOKOSA-N 381.407 2.865 0 40 GFAB CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O 684063 DHSQYFUMGHBRNV-CYBMUJFWSA-N 399.241 2.697 0 40 GFAB O=C(c1ccc(O)cc1)C1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 42299228 CTPCWYKYXCGVGP-UHFFFAOYSA-N 382.416 2.925 0 40 GFAB COc1ccc(NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1OC 859013 FARJSVGVEFHJEG-UHFFFAOYSA-N 385.420 2.820 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2csc(C)n2)cc1 24041243 DKJWQRFFKQGCMR-ZDUSSCGKSA-N 395.550 2.902 0 40 GFAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 10515266 JAZTTWZJHQJYQB-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccc(F)c(F)c1 24630595 GLYYJRRTMDVTPJ-MNOVXSKESA-N 386.395 2.648 0 40 GFAB CC(C)CCNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 8982526 QNCVBXHHFRRFHZ-UHFFFAOYSA-N 385.251 2.575 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1 9262337 SXQBNRNNCLJEPM-RBUKOAKNSA-N 393.443 2.798 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)Nc1ccc(-n2cccn2)c(F)c1 47767949 NBXNIQXPPMAVSU-UHFFFAOYSA-N 377.383 2.914 0 40 GFAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc(-n2cccn2)nc1 170593200 HGXBWRFSIQFZDP-IBGZPJMESA-N 375.432 2.742 0 40 GFAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 100738944 DSQPILGCXVGEAU-WOVMCDHWSA-N 383.496 2.641 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1 23078117 GNEBAWUCHFIQDG-WMLDXEAASA-N 378.469 2.757 0 40 GFAB C[C@@]12CC[C@H](C[C@@H]1C(=O)N1CCSCC1)[C@]1(C2)NC(=O)c2ccccc2N1 100116087 LPURDHRZANAVDU-GNBIQWSPSA-N 385.533 2.940 0 40 GFAB O=C1[C@@H](n2cnnn2)[C@@H](c2ccc3c(c2)CCO3)N1Cc1ccc(Cl)cc1 58152008 RTFBWEKOIGZHJJ-MSOLQXFVSA-N 381.823 2.586 0 40 GFAB CCCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc3c2OCCO3)c1 58226306 YSKLWCPMXIMEKG-UHFFFAOYSA-N 390.461 2.540 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 20553696 BFKMAYCAWMVLEG-KRWDZBQOSA-N 377.487 2.809 0 40 GFAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635642 NHZDRNCLNCPNKO-HNNXBMFYSA-N 394.479 2.676 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)N1CCC([C@H](O)c2ccccc2)CC1 48261132 GBSXQXVLPCAOAG-GHTZIAJQSA-N 382.460 2.982 0 40 GFAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1nc2c(s1)CCCC2 12798985 QHBCWQKYKHCUGE-UHFFFAOYSA-N 376.463 2.929 0 40 GFAB CCOC(=O)[C@@]1(C)C=C(Nc2ccc(C(=O)O)c(O)c2)C(=O)N1c1ccccc1 2372799 ZMADAYLPTXPYSD-OAQYLSRUSA-N 396.399 2.755 0 40 GFAB CC(C)N(C)Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 58885196 LUIYIUHNIKGPGR-XLIONFOSSA-N 375.538 2.597 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCc3nc(N)c4ccccc4n3)CC2=O)cc1 11425191 XILPEQGBKZCRGA-HNNXBMFYSA-N 390.443 2.871 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc21 12751868 DLDVDXIRTLIMFJ-CQSZACIVSA-N 381.432 2.849 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1 12802972 JHKZKIRPYCGQSA-HXUWFJFHSA-N 380.469 2.701 0 40 GFAB CCCNC(=O)NC(=O)COC(=O)CSc1c(Cl)cccc1Cl 3445673 XVZXIIMGPZOWCH-UHFFFAOYSA-N 379.265 2.865 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1CN1CCCC1=O 26832728 YDLKVGSZHWOKKV-UHFFFAOYSA-N 376.453 2.735 0 40 GFAB O=C1O[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)Cc2ccccc21 12908270 URXDNEMKGZMXGM-LJQANCHMSA-N 390.395 2.930 0 40 GFAB O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 12998332 SVTZFXDZILDOPW-HNNXBMFYSA-N 390.530 2.990 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2ccccc2O)CC1 12978446 YVCVOTHAKKKBCU-UHFFFAOYSA-N 395.503 2.725 0 40 GFAB CCN(CC)C(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 13012294 QNVAEXSUDKRRBW-AWEZNQCLSA-N 391.331 2.620 0 40 GFAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 64987568 IEGBSNQHVHYPFH-UHFFFAOYSA-N 382.395 2.547 0 40 GFAB CC[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O 6112212 HEJHIXKHBLRXFR-CYBMUJFWSA-N 378.270 2.950 0 40 GFAB O=c1c2ccccc2ncn1CCNS(=O)(=O)c1cc(Cl)ccc1Cl 61718047 GHVPZDUBUMQRBT-UHFFFAOYSA-N 398.271 2.682 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)CCc2ccccc2)cc1 29319610 CISCFVMJJDGENN-KRWDZBQOSA-N 389.521 2.594 0 40 GFAB Cc1nc2cc(C(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)ccc2n1C 65474953 WBGJKGJBOQZFTF-IBGZPJMESA-N 376.460 2.975 0 40 GFAB CCOc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 14249216 BGXCZVBLKWKQFG-CYBMUJFWSA-N 386.473 2.785 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 5401649 PYOKDSYSZRUUPS-UHFFFAOYSA-N 391.427 2.952 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4cccc(F)c4)C[C@H]2S3(=O)=O)cn1 306127201 FRLDURIMZUNAAW-TZIWHRDSSA-N 397.475 2.982 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 4690432 MICKMDYAMQGWEK-UHFFFAOYSA-N 398.444 2.920 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)NCCc1ccc(O)cc1 6660941 NDEVESJAHOZVCE-GDNBJRDFSA-N 388.470 2.849 0 40 GFAB CCOC(=O)CNC(=O)[C@@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc(C)cc1 6756256 UWQFDDQZHMMAOX-YAOQVBECSA-N 392.455 2.863 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c(C)n1C 5792301 CDLXTUDRDBRLLX-IBGZPJMESA-N 375.375 2.570 0 40 GFAB C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 15193092 QMNYTDZXULYTNM-JTQLQIEISA-N 377.231 2.976 0 40 GFAB COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 4996193 QBCVUMXEHWOVIV-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB COc1ccccc1NC(=O)COc1ccc(C(=O)N2CCCC2)cc1OC 15344350 NIPCVBVVAHZFRL-UHFFFAOYSA-N 384.432 2.957 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)Cn1ccn(-c2ccccc2C)c(=O)c1=O 67320612 SBGBLJWMCLHRBK-UHFFFAOYSA-N 383.835 2.908 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO 67300243 VXMFLFIMOCVDTB-UHFFFAOYSA-N 381.407 2.531 0 40 GFAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 72402717 JFVKNCJMEZTDSI-UHFFFAOYSA-N 392.390 2.709 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(OC)cc2C)c1 15948796 DITHKDZUWXMLEQ-UHFFFAOYSA-N 378.450 2.563 0 40 GFAB O=S(=O)(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 16085906 KZUWFACCOKSUNL-UHFFFAOYSA-N 384.251 2.699 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 7951683 NJXIBDCOQJJPHH-OAHLLOKOSA-N 392.502 2.990 0 40 GFAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 9586821 GLFKKMISCBIBFZ-INIZCTEOSA-N 389.459 2.814 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CCSc4ccccc43)ccc21 18134256 CJRJRCZWCALCGS-INIZCTEOSA-N 388.514 2.976 0 40 GFAB Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc(=O)oc2c1 89665783 GTNPBNUEOCJCAJ-UHFFFAOYSA-N 398.484 2.608 0 40 GFAB Cc1cc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)ccc1Br 68406763 KVGDCCGXFFHVSP-GFCCVEGCSA-N 391.331 2.684 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccc(Cl)cc1Cl 32850759 AGZRDIQVGFFAPG-UHFFFAOYSA-N 389.260 2.831 0 40 GFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)CCOC)C3)c2)cn1 72353638 DZDIEARCYXEQNT-KRWDZBQOSA-N 396.491 2.554 0 40 GFAB COc1cc2c(cc1CN1CCc3nnc([C@@H]4CCCNC4)n3CC1)CCCC2 72370900 NWVIHVDQOUHBOW-LJQANCHMSA-N 395.551 2.691 0 40 GFAB Cc1cc(O)c(-c2ccc3c(O)nc(=O)n(-c4ccc(Cl)cc4)c3n2)c(=O)o1 1547208960 VQHWISJCFGVHKD-UHFFFAOYSA-N 397.774 2.774 0 40 GFAB biogenic O=C(NCc1cccc(-c2ccccn2)c1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 564179565 ZNSPQCCGNZWGFY-NRFANRHFSA-N 399.516 2.859 0 40 GFAB C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 223857345 OTEZGVXHFBWHLC-GFCCVEGCSA-N 387.910 2.924 0 40 GFAB FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NCc2ccccc2)n1 225929251 VRQADHZBLGOQQA-UHFFFAOYSA-N 397.426 2.819 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 223272015 SJFZTTAKJFNEIZ-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 224062570 PXNOULHXOBPMRP-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB NC(=O)c1ccc(CN(CC(=O)Nc2ccccc2OC(F)F)C2CC2)cc1 40059785 HFGUGJZMTFWYDP-UHFFFAOYSA-N 389.402 2.990 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 222869512 UOAWUNALAYMEJR-CQSZACIVSA-N 390.867 2.891 0 40 GFAB CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)c(C)c1 224224887 OMAYWWOPFWDNPL-UHFFFAOYSA-N 376.478 2.969 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1OC 220119871 JBYSGJPVOMASLG-CQSZACIVSA-N 392.477 2.805 0 40 GFAB CC[C@@H](C(=O)NCCOc1ccccc1C)N(c1ccccc1)S(C)(=O)=O 224297796 KEBNOYMXZAMLAM-SFHVURJKSA-N 390.505 2.735 0 40 GFAB CCCCOc1ccc(C(=O)N2CCN(c3cnnc(N(C)C)c3)CC2)cc1 96098687 ZNSRHVCPXLXBAC-UHFFFAOYSA-N 383.496 2.684 0 40 GFAB O=C(COc1ccccc1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 90584102 LUFSJUJKROVXDD-UHFFFAOYSA-N 389.459 2.821 0 40 GFAB COc1ccc(Cc2nc(NC(=O)c3cc(=O)n(C)c4ccccc34)n[nH]2)cc1 95474136 VZMPAWSHLWVZTM-UHFFFAOYSA-N 389.415 2.508 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2[C@H](CN2Cc2cccc(Cl)c2)C1 96090605 AKWXQHJNYDUQSE-IEBWSBKVSA-N 376.909 2.986 0 40 GFAB CN(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 244340282 XTDJWWPILUBDRE-UHFFFAOYSA-N 384.860 2.904 0 40 GFAB Cn1cnc2cc(C(=O)N(Cc3ccsc3)[C@@H]3CC34CCNCC4)cnc21 585140183 NWMZCWBESPCPFN-QGZVFWFLSA-N 381.505 2.814 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4Cl)CC[C@H]3C2)n1 257204391 AUJJAIJWWNZCJJ-UXLLHSPISA-N 387.867 2.521 0 40 GFAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(OC)c(C)c1 260841242 KXLHNNBTXMVLBS-DLBZAZTESA-N 382.526 2.633 0 40 GFAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[C@H](C(=O)O)c3ccccc3)CC2)C1 634866352 VAJDXYUPVITSLQ-LPHOPBHVSA-N 386.492 2.742 0 40 GFAB COc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)N2CCCC2)cc1 626745310 SIODRYUFJLQXSR-LZQZEXGQSA-N 389.496 2.584 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390827018 SEFOOCMFVJIZPN-LJQANCHMSA-N 391.445 2.712 0 40 GFAB O=C(O)CN1CCCC[C@H](N2CCC[C@H](COc3ccccc3Cl)C2)C1=O 643876034 ISXCBILWZPHAPD-RDJZCZTQSA-N 394.899 2.897 0 40 GFAB O=C(Cc1cccc(F)c1F)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 585100922 GJNMBPAXRPRHAT-NRFANRHFSA-N 385.414 2.948 0 40 GFAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1 72304273 HJSRNBRXAYQTAE-LPHOPBHVSA-N 378.472 2.923 0 40 GFAB O=C(Cc1cccs1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2 12129789 DCWNOIINWYCCBW-UHFFFAOYSA-N 381.461 2.564 0 40 GFAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cnccn1 19017585 ZNDOMTLWCPMXGN-HMXCVIKNSA-N 378.476 2.876 0 40 GFAB O=C(N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1)C1(c2cccc(F)c2)CC1 19293616 OENXCZNGJUZRNM-GOSISDBHSA-N 396.466 2.505 0 40 GFAB COCCc1ncc(CN2CCC(c3ccc(-c4cncnc4)cn3)CC2)cn1 19688073 RXNBBTZUKZKCNW-UHFFFAOYSA-N 390.491 2.897 0 40 GFAB O=C(CSc1ncnc2ccccc12)NC(=O)Nc1ccc2c(c1)OCCO2 6604868 OKAKZPYFRKAVRU-UHFFFAOYSA-N 396.428 2.841 0 40 GFAB Cc1ccc(-c2noc(COC(=O)c3cccc(NS(C)(=O)=O)c3)n2)cc1 15279060 MQKIXRHXRTTXNJ-UHFFFAOYSA-N 387.417 2.774 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840631 PAKGGYZSSQXRMK-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB O=C(c1ccsc1)N1CCOC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565554219 MMHIBRKVAIPKAV-UHFFFAOYSA-N 384.448 2.627 0 40 GFAB COc1cccc(N2C[C@@H](CNS(=O)(=O)c3cccc(Cl)c3)OC2=O)c1 8838813 SDKBWUZJVZTJLW-OAHLLOKOSA-N 396.852 2.652 0 40 GFAB CCCNC(=O)Cc1csc(SCC(=O)Nc2cccc(OC)c2)n1 8850843 CPASRSIANLZENT-UHFFFAOYSA-N 379.507 2.951 0 40 GFAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccncc3)cs2)cc1 10219326 JUFGYGBFBHYBDH-UHFFFAOYSA-N 389.458 2.626 0 40 GFAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1c(F)cccc1F 12443178 AMUNFSLFHPTPEI-UHFFFAOYSA-N 395.369 2.878 0 40 GFAB CCn1nnc2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)ncnc21 13532156 HUKOQBQHPOWUJI-UHFFFAOYSA-N 382.371 2.991 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)cn3)C2)cc(=O)o1 206965818 QDIOZTCOEJZDMT-SFHVURJKSA-N 397.406 2.631 0 40 GFAB O=C1CN(C2CCN(Cc3ccc(F)c(F)c3)CC2)C(=O)N1CC(F)(F)F 585148489 JWBLKKQTZRCPED-UHFFFAOYSA-N 391.340 2.756 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1CCN(c2ccc(F)c(F)c2)C1=O 49026301 CZNPTQRXYAVZCE-UHFFFAOYSA-N 389.358 2.632 0 40 GFAB CC(C)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cc3ccccc3[nH]2)cc1 20722913 OGVSFBVFAXRPAH-UHFFFAOYSA-N 392.459 2.776 0 40 GFAB CCc1c(C(=O)N(C)CCN(C)C2CCN(C)CC2)cnn1Cc1ccccc1 101691486 XGVHIGMUZCGXFA-UHFFFAOYSA-N 397.567 2.592 0 40 GFAB COc1ccc(NC2=NC(=O)C[C@H](C(=O)NCCc3ccccc3)S2)cc1 795136 JMVVZTCKPPLLBR-QGZVFWFLSA-N 383.473 2.854 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccccc1)SCC(O)=N2 79487570 XJZUVCPMCQEWIU-BBRMVZONSA-N 377.491 2.975 0 40 GFAB CCOC(=O)C1=C(C(F)(F)F)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 3197115 YWFALAFDVVVRGF-GFCCVEGCSA-N 390.383 2.602 0 40 GFAB COc1ccccc1CNC(=O)CNC(=O)N1CCc2c([nH]c3ccccc23)C1 12297052 RGCSIZQVWZSKID-UHFFFAOYSA-N 392.459 2.561 0 40 GFAB biogenic COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC[C@@H](C)C1 4161297 UIXMTPHUIAGVEB-MRXNPFEDSA-N 388.537 2.866 0 40 GFAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 53793508 VFFCTFHIYUQLOC-UHFFFAOYSA-N 376.412 2.969 0 40 GFAB COC(=O)c1nc(=S)[nH]c(C(=O)OC)c1C(=O)c1c(C)[nH]c2ccccc12 6469958 XLJAOTRGDDHPTM-UHFFFAOYSA-N 385.401 2.733 0 40 GFAB CCn1ncc(Cl)c1CN(C)C(=O)c1cc2ncc(Br)cn2n1 2808849 PIMNVYPBRKLJAZ-UHFFFAOYSA-N 397.664 2.634 0 40 GFAB CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCc2ccccc2C1 7977876 CKUKMZGAIRKJHJ-UHFFFAOYSA-N 383.517 2.864 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C 10543861 WGRNZHKFPKVEKS-UHFFFAOYSA-N 381.450 2.508 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2cccs2)C1 23018655 WTOXZMIWWOWBHL-GJZGRUSLSA-N 386.473 2.557 0 40 GFAB O=C(NCc1ccnc(N2CCCC2)c1)NCc1ccnc(N2CCCC2)c1 23043282 PXFDJVFPOIPEBE-UHFFFAOYSA-N 380.496 2.676 0 40 GFAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 54251875 KUMACMKCIKNUIP-UHFFFAOYSA-N 377.331 2.730 0 40 GFAB COc1ccc(-n2ncc(C(=O)Nc3cccc(C)n3)c2C(F)(F)F)nn1 24050239 XERXQELTENAXCU-UHFFFAOYSA-N 378.314 2.645 0 40 GFAB COc1ccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1OCC(C)C 105741334 KIIKKIWONZADFJ-ALAONZSNSA-N 389.517 2.704 0 40 GFAB O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9422466 HRVAASQZTFYVEF-ZDUSSCGKSA-N 379.869 2.774 0 40 GFAB CCCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)n[nH]c1=O 8571893 PBTQIXHTWRMLIX-LBPRGKRZSA-N 376.482 2.939 0 40 GFAB COc1cc(OC)c(NC(=O)NCCNC(=O)c2ccccc2)cc1Cl 43413545 PLLOSLGGZBGXCA-UHFFFAOYSA-N 377.828 2.909 0 40 GFAB CC(C)N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 100164254 CJFNYVWELBPKSN-PABYOWBDSA-N 398.478 2.902 0 40 GFAB Oc1ccccc1N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 25721210 NAOFEPNTXGKARV-XXBNENTESA-N 382.504 2.969 0 40 GFAB O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)N1CCCCC1 102155432 ZMTXTZVBIWXYBD-RKGSWTEASA-N 376.456 2.870 0 40 GFAB O=C(CN1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1-n1cncn1 57439421 CQLOWQSMSDPMNM-UHFFFAOYSA-N 396.882 2.681 0 40 GFAB O=C(c1cccc(F)c1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556201 JAIWBNCFKJEWGM-UHFFFAOYSA-N 394.406 2.503 0 40 GFAB CC(C)Cc1ccc([C@H](NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 58069277 GBFIFHNBGBWTHU-PZJWPPBQSA-N 394.581 2.817 0 40 GFAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)c2c(C)c(C)c(=O)oc2c1 2096585 JJCIEEOIMMODHY-GUYCJALGSA-N 375.421 2.711 0 40 GFAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccn3)n2C)c1C 3295729 FXDLODZWBMOMAM-UHFFFAOYSA-N 399.476 2.974 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 22537406 QPUCCVOWWQITOM-AWEZNQCLSA-N 394.468 2.641 0 40 GFAB Cc1c(CC(=O)NCC(=O)O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 2107452 HGUMYHBRSZJMAB-UHFFFAOYSA-N 383.400 2.778 0 40 GFAB biogenic C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 58406491 UHXXUZWRVVCSND-CQSZACIVSA-N 399.472 2.820 0 40 GFAB Cc1ccc(N2C(=O)c3sc4nnc(-c5ccccc5)c(=O)n4c3C2=O)cc1 2348776 FFHMVVOMZJOOFU-UHFFFAOYSA-N 388.408 2.927 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)OC(=O)CCNC(=O)Nc1ccccc1 12796367 ODOHMMNLBCUYKJ-OWCLPIDISA-N 375.469 2.919 0 40 GFAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(-n2cc(C(N)=O)nn2)cc1 45855452 HCGCPUBLEVDGJE-HNNXBMFYSA-N 399.454 2.939 0 40 GFAB CCn1nnc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)ccc21 11722046 GLZGJYZYWFLBGF-UHFFFAOYSA-N 378.480 2.764 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(C)c1 12818284 CCCLXCQLWNMPNA-INIZCTEOSA-N 376.478 2.524 0 40 GFAB CCOc1ccc2oc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)c2c1 3412725 RIVHVIHFYJLDHA-CHWSQXEVSA-N 375.421 2.933 0 40 GFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CC(=O)N(CCc2ccccc2)C1 12942482 SXGMZQMLDFTCOX-SFHVURJKSA-N 391.471 2.843 0 40 GFAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 12936642 HOXHKTNDMDLARM-UHFFFAOYSA-N 388.489 2.881 0 40 GFAB O=C(NCc1nnc2ccccn12)c1csc(COc2ccc(F)cc2)n1 13019912 GDIROHNSUOWWHP-UHFFFAOYSA-N 383.408 2.834 0 40 GFAB CC(C)COc1cccc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 69932071 PDANEMXGFZMIIE-HXUWFJFHSA-N 389.540 2.975 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1 68116181 KJROWVZZOPVJFW-UHFFFAOYSA-N 388.489 2.536 0 40 GFAB CC(C)N1C[C@]2(CCN(Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O 306128866 HNAFCHVOAVCMTJ-HXUWFJFHSA-N 387.505 2.518 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3onc(C)c3C)cs2)CC1 49544403 VJGYCKCHZTYBDX-UHFFFAOYSA-N 398.506 2.984 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 4183412 HJKWJLMWKGYODA-OAHLLOKOSA-N 379.503 2.651 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1cccs1 6112363 SYSNULXXPNAPPE-UHFFFAOYSA-N 378.251 2.537 0 40 GFAB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)n[nH]c2=O)cc1 8829617 HVUFFUHVUGMPTB-UHFFFAOYSA-N 384.461 2.999 0 40 GFAB Cc1c(NC(=O)[C@H](C)OC(=O)Cc2ccsc2)c(=O)n(-c2ccccc2)n1C 5657592 DUFHOBZZRKOWSV-AWEZNQCLSA-N 399.472 2.659 0 40 GFAB COc1ccc(CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC 14933127 WBMLRMIPLHEYGM-UHFFFAOYSA-N 381.432 2.532 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 5960539 BDMXKYBDGZKQLW-LLVKDONJSA-N 379.315 2.957 0 40 GFAB COC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(OC)c1 7293733 DXPJKJABKLJVBX-ZDUSSCGKSA-N 398.415 2.625 0 40 GFAB CCN(CC(=O)NC(C)C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 7285681 AKFUYQJNGFLAJS-UHFFFAOYSA-N 384.505 2.998 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)CCOc1ccc(Cl)cc1 8074482 OHFKQKQNGFULGP-UHFFFAOYSA-N 387.871 2.865 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850184 YRQFIWISVXXJFW-AWEZNQCLSA-N 384.910 2.871 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1 9710428 LEKPQBOFZSQCSW-UHFFFAOYSA-N 390.403 2.612 0 40 GFAB O=C(CNC(=O)COc1ccc2oc3ccccc3c2c1)NCc1ccco1 9722687 IRSIHGYULPXAMW-UHFFFAOYSA-N 378.384 2.990 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)CC2)cc1 72296543 HLDYDBCBAUUBST-HNNXBMFYSA-N 382.508 2.767 0 40 GFAB O=C(Nc1ccc2nccnc2c1)c1ccc(OC(=S)N2CCOCC2)cc1 408975849 OFBIRZDAIYXWCD-UHFFFAOYSA-N 394.456 2.878 0 40 GFAB COc1ccc(C(=O)[C@@H](NCCc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1547139616 VLMWGAGKVOYXOK-LJQANCHMSA-N 394.427 2.814 0 40 GFAB biogenic COc1ccc(CC(=O)Nc2ccc(NC(C)=O)cc2N2CCOCC2)cc1 22636633 BTWUXQAQLRXNFF-UHFFFAOYSA-N 383.448 2.671 0 40 GFAB C[C@@H](C(=O)NCc1nc2ccccc2[nH]1)n1nc(-c2cccs2)ccc1=O 56905934 BWNRYYQWMSDSHN-LBPRGKRZSA-N 379.445 2.726 0 40 GFAB CSc1cccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1 509426245 QXRIGPWZVHZIKC-UHFFFAOYSA-N 392.546 2.719 0 40 GFAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 36359356 HMUZHIACPWHYCM-FOFFECOMSA-N 399.447 2.851 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 36584456 RMRBEIDBKGWIFA-MRXNPFEDSA-N 390.509 2.747 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)C[C@H]1C(F)(F)F 417764208 WQHVDKABHYSPCW-ZIAGYGMSSA-N 382.342 2.658 0 40 GFAB COCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(F)cc1 40397068 UWQNNVGPSSNWCU-UHFFFAOYSA-N 396.422 2.724 0 40 GFAB Cn1nc(N2CCC[C@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)ccc1=O 77100943 WTDYFNPCQDTXET-NSHDSACASA-N 398.360 2.793 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1 40009871 GOOWJBDYDOVMQW-IBGZPJMESA-N 396.443 2.856 0 40 GFAB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220615783 ZMSCMZOZRJTLHJ-LJQANCHMSA-N 390.505 2.865 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222657527 FKFKAYLCPZHFDK-UHFFFAOYSA-N 394.468 2.802 0 40 GFAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1CO 80351222 WVVFLXLYMPNREC-IRLDBZIGSA-N 394.515 2.943 0 40 GFAB O=C(NCCN1CCCCC1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 40930158 MHPUZJOUOYCFLP-UHFFFAOYSA-N 397.523 2.551 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 225537337 WTGUPBMBYHNUMU-MRXNPFEDSA-N 390.505 2.643 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cccc(OC)c2)CC[C@@]1(C)O 604382661 XTCWWAGIZYHYJO-RJGXRXQPSA-N 398.503 2.524 0 40 GFAB biogenic,in-vitro CCc1nnsc1C(=O)N1CC[C@@H](Cc2cnc(-c3c(C)noc3C)cn2)C1 257218640 DDYBJPUUQKQJPP-ZDUSSCGKSA-N 398.492 2.867 0 40 GFAB C[C@@H]1CN(c2ccncc2)CCN1C(=O)NCCc1ccnn1-c1ccccc1 1684201951 SSPXZBLKDZCDBZ-GOSISDBHSA-N 390.491 2.730 0 40 GFAB COc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@](C)(CO)C2)N2CCCCC2)cc1 663435941 SYZNRYLEPXWXPN-AGHHOFFYSA-N 389.540 2.882 0 40 GFAB CCN(C(=O)c1cc(NC(=O)N2CCO[C@H](C(=O)O)C2)ccc1Cl)C(C)C 669504985 LYXDRBKPXOPGTK-HNNXBMFYSA-N 397.859 2.528 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccc(-c2ccccn2)n1 96098913 ODHJYQRLKPPOAX-UHFFFAOYSA-N 390.422 2.915 0 40 GFAB CN(C)C/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 585292564 OPOVEZFDXPAQKN-CSPWOOARSA-N 386.525 2.576 0 40 GFAB COc1ccc(COCC(=O)N2CCN(c3nc4ccccc4s3)CC2)cn1 585123283 VUPMAHOEDIQWMQ-UHFFFAOYSA-N 398.488 2.565 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)C1 72397133 YPSGRCMPUCELHJ-FGTMMUONSA-N 396.491 2.743 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC1CCC2(CC1)OCCO2 53952528 IDZZSWNAMSCDJG-UHFFFAOYSA-N 387.263 2.525 0 40 GFAB CN(C)Cc1ccc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)cc1 12121812 GLUVJIKEUFNRSF-UHFFFAOYSA-N 375.476 2.864 0 40 GFAB COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)c4ccccc4)CN3C)n2)cc1 12529909 BAUFBBFYIFUVSZ-WMZOPIPTSA-N 378.432 2.920 0 40 GFAB biogenic,in-vitro CCOc1ccccc1N1C[C@H](C(=O)NCCOc2ccccc2OC)CC1=O 12877445 RJNOGBINHPKLQG-MRXNPFEDSA-N 398.459 2.642 0 40 GFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cc(OC)ccc2OC)c1 14233975 HNPHIWKCOJQARI-GFCCVEGCSA-N 381.450 2.761 0 40 GFAB COCc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 19291343 GNVPQGISOHOAQN-OAQYLSRUSA-N 396.491 2.563 0 40 GFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CC2)C1 19528391 SOQKCPYMJHCVOQ-QHCPKHFHSA-N 392.503 2.841 0 40 GFAB COc1ccc(Cc2ccc([C@H]3CN(Cc4ccnn4C)CCO3)nc2)cc1 19692380 RIMKSTIAKMVYDQ-JOCHJYFZSA-N 378.476 2.988 0 40 GFAB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1 8114231 DJKYRGIYZFPGEB-SDNWHVSQSA-N 398.440 2.544 0 40 GFAB Cc1cccc(Nc2ccc3c(c2)CN2CCC[C@@H]2C(=O)NCCOCCO3)n1 643572472 DFYVBIUJHWQPIT-LJQANCHMSA-N 396.491 2.623 0 40 GFAB NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 10635397 JZCJKERWFQCXEB-JKSUJKDBSA-N 378.881 2.548 0 40 GFAB Nc1nc(COC(=O)[C@H]2Cc3ccccc3S2)nc(Nc2ccccc2)n1 10723624 XWARGRLZLFDSDQ-OAHLLOKOSA-N 379.445 2.958 0 40 GFAB Cc1sc2nc([C@H](C)Sc3nnnn3C[C@H]3CCCO3)[nH]c(=O)c2c1C 9548470 HBIZGSWYRCTRDO-WDEREUQCSA-N 392.510 2.620 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)CCC(F)(F)F)C2)n1 1888860524 SYVGLQZQUIOEQP-UHFFFAOYSA-N 381.354 2.645 0 40 GFAB CCOc1ccccc1S(=O)(=O)N1CCC(N(C)c2ccccn2)CC1 1889205654 FILYAQAZYQWKAZ-UHFFFAOYSA-N 375.494 2.770 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 1889205694 IUEBGGLIWJEIIY-HXUWFJFHSA-N 390.443 2.565 0 40 GFAB CCOC(=O)c1cccc2c1S(=O)(=O)c1c(cccc1C(=O)OCC)O2 19864963 RUBPVPNRGCNIJU-UHFFFAOYSA-N 376.386 2.979 0 40 GFAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1cc(-c2ccco2)n[nH]1 239846324 LBSSFYUYUSLQPE-UHFFFAOYSA-N 391.416 2.766 0 40 GFAB CCc1n[nH]c(=Nc2cc(C)nc([C@@H]3CCCCN3Cc3cc[nH]n3)n2)s1 2037846418 QXYKFBWWLUKEKR-AWEZNQCLSA-N 384.513 2.815 0 40 GFAB COc1ccc(OC)c(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)c1 2037983929 LCQMKZJWRJFPJD-OAQYLSRUSA-N 376.497 2.696 0 40 GFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3)ccc12 2712372 SPEAKGKERVAMDA-UHFFFAOYSA-N 380.400 2.500 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1c[nH]c(=O)n(-c2ccc(C)cc2)c1=O 2973025 XZNIMQCDMQEZFF-UHFFFAOYSA-N 385.807 2.749 0 40 GFAB C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 3061471 KVAVXZOHBLBWEN-GFCCVEGCSA-N 390.233 2.994 0 40 GFAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)C[S@@](=O)C3)cc1 4105983 LAVLGUCCLXMTQT-HHHXNRCGSA-N 381.457 2.824 0 40 GFAB O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1Cc1ccc(F)cc1 9660727 KTAFWHOQRQBZMX-UHFFFAOYSA-N 379.366 2.933 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccsc1)N1CCOCC1 22767377 UXKSJMBUKXFHLJ-INIZCTEOSA-N 384.498 2.547 0 40 GFAB CN1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 30029307 KQCVVDCJVQHHSV-LJQANCHMSA-N 385.895 2.975 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 40146658 IXFFHGNHDZJCCW-UHFFFAOYSA-N 375.429 2.900 0 40 GFAB COc1cc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)ccc1OCCC(C)C 40112721 UXIWVMYIJOZZDO-UHFFFAOYSA-N 387.480 2.679 0 40 GFAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)c1 40478613 VJXLZVUULYKMKX-UHFFFAOYSA-N 379.460 2.791 0 40 GFAB CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C)cs1 32722020 VGRGHGKBEWXXQH-QMTHXVAHSA-N 392.506 2.543 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1OC 32810968 WNSQFGOHIAOQSY-VXGBXAGGSA-N 385.420 2.862 0 40 GFAB O=C(Cn1nc(-c2cccs2)oc1=O)N(Cc1ccco1)CC(F)(F)F 52796599 GUEGTJDMKFSQTK-UHFFFAOYSA-N 387.339 2.749 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)no1 2619301 QKZYESOAWQAZSO-INIZCTEOSA-N 397.218 2.696 0 40 GFAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)no1 12028776 YJEHTINESRFLDF-KRWDZBQOSA-N 385.445 2.511 0 40 GFAB Cc1ccc(OCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 904787 CRQUNQQOSVFBRF-UHFFFAOYSA-N 390.494 2.593 0 40 GFAB COc1ccc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)c(OC)c1 79474527 RYBGHZQQQPFFJM-UHFFFAOYSA-N 376.829 2.924 0 40 GFAB CCC(CC)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC)cc2)s1 6778465 CCXSNKRQNORXQX-UHFFFAOYSA-N 384.483 2.722 0 40 GFAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1O 6964944 IBQGZLLSDVFNNR-PTNGSMBKSA-N 390.461 2.840 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCCc2ccccc21 22804990 XIQNYNCOKJVJJL-UHFFFAOYSA-N 391.515 2.719 0 40 GFAB CCOc1ccc(CC2(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C2=O)cc1 59417325 QYRNUUIPLVPCJA-UHFFFAOYSA-N 395.459 2.692 0 40 GFAB CCOc1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(C)n3)CC2)cc1 22911912 DLXMRMRUFRQWKB-HNNXBMFYSA-N 388.537 2.995 0 40 GFAB CNC(=O)c1ccc(CN(CC(=O)NCCOc2cccc(C)c2)C2CC2)cc1 23040200 NRAJXCNQDBXGLW-UHFFFAOYSA-N 395.503 2.514 0 40 GFAB COc1cccc(OC)c1CN1[C@H]2CC[C@@H]1Cc1nc3cc(C)nn3c(O)c1C2 100219523 HVHYGIMIEKWTLI-LSDHHAIUSA-N 394.475 2.892 0 40 GFAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)cc1Cl 12408435 RSEQBJGWAACDEQ-LBPRGKRZSA-N 388.276 2.652 0 40 GFAB COc1ccc(C2(CNC(=O)N3CCN4CCCC[C@@H]4C3)CCOCC2)cc1 105187174 MZMQXQRFNRCPKP-LJQANCHMSA-N 387.524 2.623 0 40 GFAB Cc1ccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c(C)c1 24061057 OOQCIKRPSRQCNR-LJQANCHMSA-N 385.895 2.941 0 40 GFAB O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1ccc2c(c1)OCO2 57710996 YHFYHXPYOYPYPO-UHFFFAOYSA-N 396.472 2.786 0 40 GFAB CCN(CC)Cc1nnc2sc(-c3cc(OC)c(OC)c(OC)c3)nn12 61722170 MQLCQJAQHNSJBD-UHFFFAOYSA-N 377.470 2.720 0 40 GFAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(F)cc(F)c1 12585454 QBXZCYZTRZWJEN-UHFFFAOYSA-N 377.376 2.754 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)N1CCOCC1 25499833 FHJSIKWDHYTQDN-IBGZPJMESA-N 386.517 2.805 0 40 GFAB COCCn1c(SCC(=O)Nc2ccccc2)nc2ccsc2c1=O 57425780 IWJCGZJJBAVUST-UHFFFAOYSA-N 375.475 2.835 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1Cc2cc(Cl)ccc2O1 29845392 LMCFPFDUTVJBBR-NVXWUHKLSA-N 392.908 2.895 0 40 GFAB COc1ccc(-c2c(C)s/c(=N\C(C)=O)n2CCCN2CCOCC2)cc1 102970659 GWEFOPBCJZZCBE-MRCUWXFGSA-N 389.521 2.703 0 40 GFAB CCOc1ccc(OCC(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 26148964 YCRJWDXPOWQQBG-JOCHJYFZSA-N 397.519 2.569 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](c1ccccc1)C(C)C)C2=O 58074273 NSGMULKVFHNBGK-GFBDMGBSSA-N 386.496 2.505 0 40 GFAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccccn1 20989191 BWCADUXAYKWFFK-UHFFFAOYSA-N 375.384 2.993 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)c(OC)c1 10141746 VZHDBAIFRIEUFA-UHFFFAOYSA-N 397.475 2.901 0 40 GFAB COc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)c(OC)cc1Br 72414661 ROOCXCGFNIQHFA-SNVBAGLBSA-N 378.288 2.887 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccccc2)CC1 10216209 NYLRRBFXAZYTKX-UHFFFAOYSA-N 382.416 2.671 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(F)cc2)n2nnnc2N3)cc1 10295394 AKVZGBBTQCUMCD-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 113893258 BUIXCJMMESTBTP-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCCC1 3303955 WZCFUOFEQBWZEX-UHFFFAOYSA-N 377.444 2.541 0 40 GFAB CCN(CC)[C@@H](CNC(=O)CSc1nccn1C)c1cccc(OC)c1 48311149 LKRRYNNECGJWKO-KRWDZBQOSA-N 376.526 2.720 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)O 11691680 UPPCUABLISBUCD-AWEZNQCLSA-N 386.267 2.990 0 40 GFAB CCOc1ccc(C(=O)N[C@@H](C(=O)NCCCN2CCCCC2)C(C)C)cc1 11713360 MCVNDRNOAHNAIZ-HXUWFJFHSA-N 389.540 2.832 0 40 GFAB Cc1ccc(NC(=O)N2CCOC[C@H]2C)cc1NC(=O)N1CCOC[C@@H]1C 46063705 VRUKOGUCXFTNGK-CABCVRRESA-N 376.457 2.500 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 29611590 BQLZCAKIHXMKDE-GOSISDBHSA-N 390.461 2.868 0 40 GFAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCC(n2cncn2)CC1 62581797 RGUFTUYUTWGWEA-OAHLLOKOSA-N 391.884 2.598 0 40 GFAB O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(Br)o2)CC1 29708656 QXOZJKCSPXURKJ-UHFFFAOYSA-N 392.253 2.606 0 40 GFAB CCCC[C@@H](CC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 12999987 PIKDBQCGAHDNTD-OAHLLOKOSA-N 398.525 2.871 0 40 GFAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc2c(c1)OCCCO2 19298124 SCZVRZLVUZBSEJ-FQEVSTJZSA-N 397.427 2.605 0 40 GFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1 3620486 GFUSHMFQMJGGBN-UHFFFAOYSA-N 391.420 2.650 0 40 GFAB CC(C)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13069531 DFZRJHVKNGUOPF-HNNXBMFYSA-N 384.432 2.933 0 40 GFAB CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1cc(C3CC3)on1)C2 306128740 HJHHLILKSBRDBB-INIZCTEOSA-N 396.491 2.700 0 40 GFAB CCN1CCN(C2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 19358619 MVAIPGHCARHALZ-UHFFFAOYSA-N 387.789 2.667 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)o1)NC(=O)NCCC1=CCCCC1 6100078 HFDZIPPPKRSYOS-UHFFFAOYSA-N 387.465 2.940 0 40 GFAB CC[C@]1(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CCC(=O)NC1=O 9184557 LGKCTTCLWYGMNQ-OAQYLSRUSA-N 380.400 2.752 0 40 GFAB COC(=O)CSc1nnc2n(-c3c(C)cccc3C)c(=O)c3ccccc3n12 6559325 MIAOTSHQYBUERJ-UHFFFAOYSA-N 394.456 2.915 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)c1 6561694 MTJZQBADBGAOMB-LBPRGKRZSA-N 383.379 2.824 0 40 GFAB Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)c1 28207423 RVKWNUBACQEEBI-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)C13CC4CC(CC(C4)C1)C3)CS2 5875793 KEXVIZUUVIJBSQ-WGVCUFLKSA-N 377.506 2.769 0 40 GFAB O=S(=O)(c1c(F)cccc1Cl)c1nnn2c1nc(O)c1ccccc12 67240298 JLNCTZYDPDCXHO-UHFFFAOYSA-N 378.772 2.608 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCOc1ccccc1 7007712 RAKWUIHXACTTHA-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 7131334 KBIAJHVQAOETSZ-ORAYPTAESA-N 379.407 2.523 0 40 GFAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15574861 YRFCQDACWQVWNU-SFHVURJKSA-N 380.448 2.948 0 40 GFAB COc1ccc(Cl)cc1C1(CNC(=O)N2CCC[C@H](O)C2)CCOCC1 67774232 JYEIOWWCGCWJOZ-HNNXBMFYSA-N 382.888 2.563 0 40 GFAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 9418963 QMIDVXTWZINTMO-NEPJUHHUSA-N 375.313 2.544 0 40 GFAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)c1 9419955 FLEXNHXYMYWRKR-QGZVFWFLSA-N 399.369 2.568 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)CSc3ncnc4ccccc34)ccc21 8038347 ROGDVRKKRJMGJK-UHFFFAOYSA-N 399.497 2.927 0 40 GFAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(CCN(C)C)C3=O 16749918 WFXYLYSBCCXISF-LJQANCHMSA-N 378.428 2.914 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)sc1Cl 72071433 ZLLSJTBPTCJMOQ-VIFPVBQESA-N 377.274 2.660 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)NCc1ccc(CN2CCCC2)cc1 8430463 YOOKKRCBFLFJCT-UHFFFAOYSA-N 393.487 2.714 0 40 GFAB Cc1ccccc1CN(C)C(=O)COC(=O)[C@@H]1CCCCN1Cc1cccnc1 97164515 NYHBEWNEEDWBBQ-NRFANRHFSA-N 395.503 2.946 0 40 GFAB CN(C)c1nc2cc(C(=O)NCCCc3nnc4n3CCCCC4)ccc2o1 89326909 HHOCAJYUFWTDJI-UHFFFAOYSA-N 382.468 2.574 0 40 GFAB Cc1ccc(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c1 408987469 QGQARKMRKKYCKF-NRFANRHFSA-N 399.450 2.978 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cccc(C(F)(F)F)c1=O 42650538 CMDRCDORLRMEQQ-UHFFFAOYSA-N 398.381 2.933 0 40 GFAB CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC 408618039 CFFKJQXUUXQXKV-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 36618093 UQCJJISIRLAMEM-UHFFFAOYSA-N 394.537 2.745 0 40 GFAB COC(=O)c1cc2c(cc1NC(=O)c1cc3ccccc3oc1=O)OCCO2 35311244 APBUKJMEOSXYHK-UHFFFAOYSA-N 381.340 2.603 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccc(C)c(C)c1-n1cnnn1)CC2 524734922 JLPDWUBBHKFLHU-KRWDZBQOSA-N 393.447 2.714 0 40 GFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCCC1 408535845 XGHAOQQHGHFKGC-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB Cc1nonc1NC(=O)CN1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362426 KLWMCUJRUCDTCG-HNNXBMFYSA-N 394.435 2.778 0 40 GFAB O=C(NCCn1cc(Br)cn1)c1ccc(Cn2cc(Cl)cn2)o1 36610930 PODTXOVHPWVWOP-UHFFFAOYSA-N 398.648 2.567 0 40 GFAB Cc1cc(N2CCC(NC(=O)Nc3ncc(C4CCOCC4)s3)CC2)n[nH]1 567696626 XDMVGCZONOETJC-UHFFFAOYSA-N 390.513 2.859 0 40 GFAB COC[C@H](C)NC(=O)c1cc(Cl)c(I)cc1OC 40073504 ROEZWVRZSHCFHM-ZETCQYMHSA-N 383.613 2.718 0 40 GFAB CCOC(=O)c1c(Cn2c(-c3ccc(F)c(Cl)c3)noc2=O)n[nH]c1C 564667632 NPIYRHUSDHUUSU-UHFFFAOYSA-N 380.763 2.552 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)c1ccccc1 223913322 PNVRPVRGHJLKMN-SFHVURJKSA-N 376.478 2.903 0 40 GFAB C[C@H](NC(=O)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)c1ccccc1 41253867 DAQCADMZPXWZMA-HNNXBMFYSA-N 391.427 2.907 0 40 GFAB CCCSc1nnc(NS(=O)(=O)c2cc(OC)ccc2OC)s1 225731964 QHXYTCVXLQBVHB-UHFFFAOYSA-N 375.497 2.858 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)NC1CCCCC1)C2 96238030 JHFLSOVQNPGQHD-NRFANRHFSA-N 388.487 2.591 0 40 GFAB Cc1cc(CN2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)oc1C 96254150 QRMKIHUTJIKWNC-UHFFFAOYSA-N 383.496 2.656 0 40 GFAB O=C(CCCNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96117844 BNLNZJGDPMIYOB-QGZVFWFLSA-N 395.438 2.801 0 40 GFAB CCCN(CC)C(=O)c1ccc2nnc([C@@H]3CCN(C(=O)NC(C)C)C3)n2c1 96156235 RYEKHMHDXKTBIL-OAHLLOKOSA-N 386.500 2.509 0 40 GFAB O=C(c1cccc(F)n1)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 585138284 BFHRRRDNOHSDCG-UHFFFAOYSA-N 396.344 2.816 0 40 GFAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1O 257270226 MTGHLUSVISBMPX-BFDYTVALSA-N 389.492 2.782 0 40 GFAB O=C(CSc1nnc(COc2ccccc2F)[nH]1)N[C@@H]1C[C@H]2CC[C@H]1C2 250229802 DBUBGJSOCMHDCK-SGMGOOAPSA-N 376.457 2.920 0 40 GFAB Cc1c(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)cnn1C 257299240 RPFYYMTYKPTRMQ-ZOBUZTSGSA-N 399.476 2.693 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c1 253569853 MWJHGOWEDZWSTH-UKRRQHHQSA-N 395.463 2.934 0 40 GFAB O=C(c1ccc(OCC2CC2)nc1)N1CCC(c2nnc3n2CCCC3)CC1 1255207818 PFOMYLQATGMDFD-UHFFFAOYSA-N 381.480 2.818 0 40 GFAB CO[C@H]1C[C@@H](Cn2ccc(NC(=O)OC(C)(C)C)n2)N(Cc2cncs2)C1 1616030878 GYHQOYVRYUGQKK-KBPBESRZSA-N 393.513 2.976 0 40 GFAB COC[C@]1(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)CCCN1 638465053 QIAQHVGUTLBWDH-NRFANRHFSA-N 390.528 2.667 0 40 GFAB C[C@H]1CN(Cc2cccc3c2OC(F)(F)O3)CCN1C(=O)c1cscn1 580408574 DSZJNUZHAQRIGY-NSHDSACASA-N 381.404 2.811 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 585183608 MNLYPVVGMZKWMC-LJQANCHMSA-N 397.494 2.691 0 40 GFAB O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@H]3CCCN3)ncc2C1 19368332 SEYKWYVLCVFFMS-QGZVFWFLSA-N 393.422 2.894 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccco3)CC2)cc1 84726783 NMCAYWMMWHFDOP-MRXNPFEDSA-N 390.505 2.869 0 40 GFAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)[C@H]1CCCO1 78597048 YBQFZZMUBCLJQN-XHDPSFHLSA-N 396.490 2.552 0 40 GFAB Cc1ccc([S@](=O)NOCCCCON[S@@](=O)c2ccc(C)cc2)cc1 5329846 IKQIHMWGKSEWFX-CLJLJLNGSA-N 396.534 2.871 0 40 GFAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccco2)CSC3)c1 5437508 FBVMUVZGAZRIMH-UHFFFAOYSA-N 382.445 2.775 0 40 GFAB Cc1cc(C)n2nc(CC(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)nc2n1 12116137 SZDBTPBGDVDUJK-QGZVFWFLSA-N 389.463 2.914 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc([C@H](O)c2nccn2C)cc1 12147678 BMMBMUFFNCZPMM-SFHVURJKSA-N 387.461 2.620 0 40 GFAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)c1 12651674 VFQVAWGYRRXWMF-UHFFFAOYSA-N 395.444 2.800 0 40 GFAB Cc1cccc(C(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 13009044 HELUUFHUYUMIRV-UHFFFAOYSA-N 376.464 2.550 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(OC)c(OC)c1 13012127 PZGQXPICDJNVOP-CSKARUKUSA-N 388.489 2.943 0 40 GFAB COc1ccc(CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)cc1 19554835 GCKGNDQGALRPMH-NRFANRHFSA-N 398.507 2.503 0 40 GFAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)C(C)C)n1 19700852 YNFXABKEKLNEFD-CQSZACIVSA-N 399.470 2.792 0 40 GFAB Cc1cccnc1CN1CCCN(C(=O)c2ccccc2Cn2cccn2)CC1 19713979 HMBPSKGQDCGTQL-UHFFFAOYSA-N 389.503 2.983 0 40 GFAB CS(=O)(=O)N1Cc2ccccc2O[C@@]2(CCCN(Cc3ccccc3)C2)C1 12365385 ICXAKZSFSBNRFR-OAQYLSRUSA-N 386.517 2.875 0 40 GFAB C[C@H](CC(=O)Nc1ccccc1CN1CCN(C)CC1)n1nnc2ccccc21 19455533 CWOHWRKNASCNOY-QGZVFWFLSA-N 392.507 2.769 0 40 GFAB Cc1ccc(-c2csc(NC(=O)Cn3nnn(-c4cccs4)c3=O)n2)cc1 10679790 BBDWLVONLVKYBN-UHFFFAOYSA-N 398.473 2.561 0 40 GFAB COc1nccnc1N1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1 1889186976 KBWAGNMFOJVVOJ-UHFFFAOYSA-N 383.427 2.559 0 40 GFAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCc3cnn(C)c3C)C2)cc1C 2037913036 MEPWXYSGAQGJCT-QFIPXVFZSA-N 385.508 2.710 0 40 GFAB C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 1903847853 QJPCKAJTLHDNCS-TZTMQAGZSA-N 390.520 2.719 0 40 GFAB CCN(CC)C(=O)Cn1nc(-c2cccc(OC)c2)c2sc(C)nc2c1=O 8955916 CQPROPOMXIQUMN-UHFFFAOYSA-N 386.477 2.705 0 40 GFAB O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1cccnc1 9001461 WJFSYOHPNPXVNZ-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB COc1ccc(CNC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 9661326 CZOWLDOFUHQLQA-UHFFFAOYSA-N 388.427 2.614 0 40 GFAB Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccnn3C)nc12 12444205 SCIICWORZQLPGB-UHFFFAOYSA-N 399.520 2.707 0 40 GFAB O=C(CC1=CCCCC1)N1CCC2(CC1)CN(Cc1ccccn1)C(=O)CO2 2055824432 UWZTWDBXXODQFP-UHFFFAOYSA-N 383.492 2.692 0 40 GFAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)Nc1ccc(F)cc1 585147614 GURIRMUNNFLBEF-UHFFFAOYSA-N 390.440 2.681 0 40 GFAB CS(=O)(=O)c1cccc2sc(N3CCC(NC(=O)C4CCC4)CC3)nc12 2298196406 CHSKRDOZWYDIMG-UHFFFAOYSA-N 393.534 2.585 0 40 GFAB COc1ccc(N2C(=O)[C@H](C)S[C@@]23C(=O)N(C(C)=O)c2ccccc23)cc1 12416902 WSJNHNSFWHJOLK-YUNKPMOVSA-N 382.441 2.910 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)c1ccc2nnnn2n1 40025160 CCOIYLSXCVLSNL-UHFFFAOYSA-N 382.859 2.671 0 40 GFAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1 40161073 XYBLZPUQKLJJNR-UHFFFAOYSA-N 377.444 2.833 0 40 GFAB O=C([C@@H]1CCCN(c2ncccc2Cl)C1)N1CCN(c2ccccn2)CC1 40134943 ZIIRWQDHPSQPMQ-MRXNPFEDSA-N 385.899 2.695 0 40 GFAB COc1ccc(CNC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 40139370 RAGBIFNNWTXCCE-CYBMUJFWSA-N 377.466 2.627 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)C1=NN(c3ccccc3)C(=O)CC1)CC2 31206371 NKQZAPBTCDBDTD-UHFFFAOYSA-N 393.443 2.772 0 40 GFAB O=C1OCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 31720012 QULZTXXCQOMNFU-UHFFFAOYSA-N 390.417 2.605 0 40 GFAB CC(C)c1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4)[C@H]3C2=O)cc1 101168365 PYIZVOIBLJUBDA-RTBURBONSA-N 391.431 2.742 0 40 GFAB CN(CCCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 32795491 USBXGYGHJNPGHB-UHFFFAOYSA-N 376.407 2.729 0 40 GFAB COc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c(OC)c1 652404 RGKHJQLYYFZTIB-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2cccc(F)c2)c1 1353611 RLICALFFKJKNQA-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB COCCn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc21 2298614 GXCBZOXSQCNTTP-UHFFFAOYSA-N 375.432 2.743 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1C 2333271 MGCVWFGGNHVIBS-DLBZAZTESA-N 391.489 2.880 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 2809199 OLXBKELCWNVUGG-WNKDZCFJSA-N 385.851 2.868 0 40 GFAB CCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 3015820 OJRMTTUQVKUTAK-UHFFFAOYSA-N 381.480 2.937 0 40 GFAB COc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 3412222 IDUVMBCNGHVHRQ-UHFFFAOYSA-N 384.860 2.999 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1ccccc1 3600461 MCEGAKCHTGUSGY-XCLFUZPHSA-N 385.851 2.984 0 40 GFAB COc1ccccc1[C@@H]1CN2C(=O)CN(C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 4082311 YFRZXQKRWIEPMR-HJPURHCSSA-N 389.455 2.838 0 40 GFAB biogenic COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 4143995 FGCRNGIMEMHLIU-VLVHOKLOSA-N 391.423 2.725 0 40 GFAB biogenic O=C(Nc1ccc2c(c1)OCO2)c1cccn(OCc2ccccc2F)c1=O 4326171 DNRNMDTWQNYSLM-UHFFFAOYSA-N 382.347 2.597 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccccc1 4330035 YVQACJIZSXANFO-UHFFFAOYSA-N 392.484 2.906 0 40 GFAB Cc1ccc(N2C[C@@H](NC(=O)NCCN(C)Cc3ccccc3)CC2=O)cc1 4373172 GCNSUMLLYYQHPH-IBGZPJMESA-N 380.492 2.532 0 40 GFAB C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 4962727 QWXDOPPWBAQDGV-MRXNPFEDSA-N 379.526 2.532 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](Cc2ccc(OC)c(OC)c2)c2nnn[nH]2)cc1 5444526 GKFHGPPAIVTLSW-INIZCTEOSA-N 397.435 2.581 0 40 GFAB O=C(CSc1ncnc2sccc12)OCC(=O)N1CCc2ccccc2C1 5563878 DLOWXYWZZNRQBM-UHFFFAOYSA-N 399.497 2.912 0 40 GFAB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)nc1)c1ccccc1 6013587 MDOKOPFDPDTUBU-UHFFFAOYSA-N 389.458 2.683 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 6810216 YGRGYXIBRVEZML-MRXNPFEDSA-N 393.530 2.960 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 6810963 DOJZTFFWPNYIRM-SFHVURJKSA-N 391.464 2.729 0 40 GFAB COC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 7166416 FLPJRUKMRQMHRX-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1 7604515 UQBLCHGTKQRVFG-UHFFFAOYSA-N 388.917 2.810 0 40 GFAB CCCCN(C(=O)CC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7814026 YUMCPIMAJBHAMY-UHFFFAOYSA-N 398.507 2.881 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 8039342 QIOUUZGBUNFGFZ-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(N)=O 8112929 KLRZJFXFWDFRJL-MDWZMJQESA-N 385.807 2.758 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc3ccccc23)n2ncnc2N1 9049045 UZSBBSKJUWBHOV-LJQANCHMSA-N 375.432 2.579 0 40 GFAB CCOc1ccc(-c2noc(-c3nnn(-c4ccc(OC)cc4)c3N)n2)cc1 10273103 IKYQEDVOLURXAA-UHFFFAOYSA-N 378.392 2.974 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)C2=Cc3cc(Cl)ccc3OC2)c1 10548920 NZXRHBCAJDPFSW-UHFFFAOYSA-N 392.864 2.804 0 40 GFAB COc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc(Cl)c1OC 11112842 VGYQFKVDURIGRR-UHFFFAOYSA-N 391.855 2.519 0 40 GFAB NC(=O)N[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 11331507 PAGFHMCDKJXBLI-IBGZPJMESA-N 394.475 2.663 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)C2CC2)s1 11507954 AIONLUUQKHGWAH-UHFFFAOYSA-N 396.472 2.995 0 40 GFAB Cc1cc2ncn(Cc3cc(C(=O)N(C)C[C@H]4CCCN4C)n[nH]3)c2cc1C 11663873 HVNQFLQUGNUPRY-QGZVFWFLSA-N 380.496 2.591 0 40 GFAB NC(=O)[C@H]1CN(C(=O)COc2c(Cl)cccc2Cl)c2ccccc2O1 11763597 YPBQVDJHYHPNCF-CQSZACIVSA-N 381.215 2.652 0 40 GFAB CC(=O)c1cnc2c(C(=O)NCCCN3CCCc4ccccc43)cnn2c1C 12148391 MYTIYJBBFSXVDC-UHFFFAOYSA-N 391.475 2.813 0 40 GFAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cc(C(C)C)no3)CC1)O2 12227098 MNLSRZAOWUONKJ-UHFFFAOYSA-N 399.447 2.604 0 40 GFAB COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4cccnc4)no3)N(C)C2)cc1 12529878 KTZRIEFABQVFJG-RDJZCZTQSA-N 394.435 2.707 0 40 GFAB biogenic,in-vitro CS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Cl 12781836 LWDQDOKGCWGRAR-UHFFFAOYSA-N 392.864 2.888 0 40 GFAB CC(=O)c1csc(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)n1 12904491 VMTUOVQRLZBWGP-UHFFFAOYSA-N 376.463 2.763 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2ccsc2C(=O)OC)ccc1Cl 12943785 ITJOCAKUBFJCSW-UHFFFAOYSA-N 389.838 2.776 0 40 GFAB COCCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 12992366 OWQLWAGFOGWYJK-UHFFFAOYSA-N 388.489 2.594 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1F 13012489 MENGABJFMSPWTA-GFCCVEGCSA-N 386.379 2.613 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 13098131 VLXSQSINDQBIOU-QRWLVFNGSA-N 390.915 2.920 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)nn2C(C)C)cc1 13657072 XYLNGWBLQKLZNY-KRWDZBQOSA-N 390.509 2.873 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 14167396 QVKNRSGWKDAHDN-OUKQBFOZSA-N 376.453 2.717 0 40 GFAB CC(C)Cc1nn2c(=O)cc(COC(=O)[C@H](C)Oc3ccccc3)nc2s1 15734051 RVFUTXVOLCDSMV-ZDUSSCGKSA-N 387.461 2.860 0 40 GFAB Cc1cccc(OCCN(C)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 16148465 KMVXIGHAJRVRDB-UHFFFAOYSA-N 391.427 2.989 0 40 GFAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16695729 KCNYGSSHLFTDMT-KBXCAEBGSA-N 384.480 2.572 0 40 GFAB CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1N 17076902 QRKQGAFSVOKMAF-UHFFFAOYSA-N 376.214 2.621 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccc(C)c3)ncc2C1 19234768 AXARFWZEVYTQAS-NRFANRHFSA-N 392.503 2.986 0 40 GFAB COc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1 19291337 WJGFBUXKBPZADL-QFIPXVFZSA-N 392.503 2.833 0 40 GFAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccc(F)cc1)CC3 19550835 KHDYDSDCQKLYCY-UHFFFAOYSA-N 383.423 2.611 0 40 GFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19581447 XWSGQKKUKXVFSU-HXUWFJFHSA-N 393.466 2.957 0 40 GFAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 19590295 IPQAPFWTLWADSL-FQEVSTJZSA-N 380.492 2.769 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 20017657 ZTLISXNYJBRFHB-JTQLQIEISA-N 382.379 2.845 0 40 GFAB CSc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20490281 JPAOILAUZIYBCM-UHFFFAOYSA-N 397.497 2.799 0 40 GFAB Cc1c(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)oc2ccccc12 22038020 ICGKXKVZEOWZCU-UHFFFAOYSA-N 388.383 2.993 0 40 GFAB CCOc1ccc(CCNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1OCC 22634844 HEQIBRMAIIJRMQ-UHFFFAOYSA-N 384.432 2.787 0 40 GFAB CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)Cc1ccc(Cl)cc1 23038266 WFFJCYUISYXZAM-UHFFFAOYSA-N 393.959 2.923 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)ccc1F 23107866 IUTCJHQRQBAHLL-MRXNPFEDSA-N 384.498 2.547 0 40 GFAB C[C@@H](NC(=O)COC(=O)CN(C)c1ncccn1)c1ccc(Cl)cc1Cl 23173419 XSOYKCGJARBEJJ-LLVKDONJSA-N 397.262 2.640 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)cc1F 25052684 WYCPBMTWTABYKF-LLVKDONJSA-N 391.472 2.598 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1N1CCCC1 28924619 MIUWHSYHRFPOEH-NRFANRHFSA-N 378.476 2.624 0 40 GFAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccc(C(N)=O)cc1 31165655 MBQMJUWNEGCDTN-HNNXBMFYSA-N 395.503 2.860 0 40 GFAB CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 32592552 ZPSMFQMUXNBITP-UHFFFAOYSA-N 388.854 2.602 0 40 GFAB COc1ccc(CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1OC 32835905 JKLFTCARUHILFF-UHFFFAOYSA-N 394.353 2.624 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)N1CCN(Cc2ccccc2)CC1 32946908 KGDMBAZMZDAWAU-OAHLLOKOSA-N 385.537 2.518 0 40 GFAB CCOC(=O)C1=C(CSc2nccn2Cc2ccccc2)NC(=O)N[C@H]1C 32954494 FEFLMKNWRXQUTG-ZDUSSCGKSA-N 386.477 2.542 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)no2)C1 35314311 YBHZUHIYACVISD-QGZVFWFLSA-N 384.461 2.841 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)NC[C@H](c3cccs3)N(C)C)CC2=O)cc1 35982378 XSSZHBNMOCMNLT-ZWKOTPCHSA-N 385.533 2.824 0 40 GFAB COc1cc(CNC(=O)CCCc2cccs2)ccc1OCC(=O)N(C)C 36394763 BJQKUJZRIPMCLW-UHFFFAOYSA-N 390.505 2.863 0 40 GFAB O=C([C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1)N1CCCCC1 36395454 YENXXCOAUWBEGB-FQEVSTJZSA-N 380.444 2.872 0 40 GFAB COc1cccc(NC(=O)CCn2c(=O)cc(C(F)(F)F)c3cn(C)nc32)c1 36621578 ABNANDNPPOSHMX-UHFFFAOYSA-N 394.353 2.791 0 40 GFAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)[C@@H]1CCCO1 36758226 JETPOHNGABOVNG-KXBFYZLASA-N 394.537 2.937 0 40 GFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCN(Cc2ccncc2)CC1 40104173 YQSSMIASVTXRJW-UHFFFAOYSA-N 376.363 2.753 0 40 GFAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc2ccccc2c(=O)[nH]1 45931327 LYHRZDPDMRZGSY-SFHVURJKSA-N 377.400 2.898 0 40 GFAB C[C@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)[C@@H]1CCCO1 46972662 UVALEYCOGGVZMK-JXFKEZNVSA-N 381.476 2.875 0 40 GFAB O=C(NCc1nc(C2CC2)no1)c1cccc(NS(=O)(=O)c2ccccc2)c1 48375119 YTNJZPLOOJOGAB-UHFFFAOYSA-N 398.444 2.678 0 40 GFAB CCOc1ccc(CC(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1 49372125 AJVMWJALFHWVQV-UHFFFAOYSA-N 392.503 2.859 0 40 GFAB COc1ccc(CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 49999623 UGOJDSQDUNUFTG-UHFFFAOYSA-N 378.469 2.762 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCCC3)c2=O)c1 57490201 LJANLYPGHVUDFG-UHFFFAOYSA-N 383.473 2.535 0 40 GFAB CCC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 57669949 FSAJWXQZFCPHEF-INIZCTEOSA-N 390.919 2.758 0 40 GFAB Cc1ccccc1C(C)(C)CNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 60354702 LXDGJVZFXPGZMV-MRXNPFEDSA-N 378.476 2.727 0 40 GFAB COC(=O)/C(=C\Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 67340491 RYIZBIDSWAFVQV-LDADJPATSA-N 389.429 2.666 0 40 GFAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)c(CO)c3)cc2c1 72396190 YXXPVYWATAVRLW-HXUWFJFHSA-N 393.487 2.902 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1OC 79483875 XDJXBZLEVKNXMN-CQSZACIVSA-N 390.871 2.680 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c1 80338398 XDPSDWYDCUJTAW-OAHLLOKOSA-N 377.444 2.811 0 40 GFAB CCc1cc(=O)c2cc(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)ccc2[nH]1 95465055 QWOZOWRGHJOMKF-JOCHJYFZSA-N 391.471 2.930 0 40 GFAB O=S(=O)(C[C@@H]1CCCCO1)Oc1cccc(I)c1 95948174 NOLFAUFQBRTLDO-LBPRGKRZSA-N 382.219 2.569 0 40 GFAB COc1ccc(OC)c(COC(=O)[C@H](c2ccccc2F)N2CCOCC2)c1 95962630 YRRULFKIXMDIKG-FQEVSTJZSA-N 389.423 2.960 0 40 GFAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(Cc2cccs2)CC3)C1=O 96036417 VQIRFBDKDJQUIR-OAQYLSRUSA-N 391.581 2.531 0 40 GFAB COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)c1ccccc12 96080234 ZEZHEDJKNGQWTA-UHFFFAOYSA-N 379.460 2.525 0 40 GFAB O=C(NCCCCCc1nnc2ccccn12)c1cc(-c2ccncc2)n[nH]1 96117934 ZMSKLXQYNRDBTL-UHFFFAOYSA-N 375.436 2.657 0 40 GFAB CC(C)CS(=O)(=O)C1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1 96122006 QELBKWRKMKKLSA-UHFFFAOYSA-N 377.428 2.920 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)OCCO)cc1 96338005 OYSRNGOUJSFEBM-ZDUSSCGKSA-N 375.899 2.738 0 40 GFAB CCOc1cccc2s/c(=N/C(=O)CS(=O)(=O)c3ccccc3)n(C)c12 101037360 QTCAKVZLZCYJDR-VHEBQXMUSA-N 390.486 2.540 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc(C)c3)C1=O)CC2 102331996 JDCZBUXLGZUYSW-GOSISDBHSA-N 380.444 2.702 0 40 GFAB Cc1ccc(NC(=O)CCCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 103506658 HCXIBHNRUMXIET-QZTJIDSGSA-N 393.487 2.911 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4c5ccccc5[C@@H]([C@@H]3C2=O)[n+]2ccccc24)cc1 104117301 HSVUYOOLMQTDSC-YSFYHYPLSA-N 383.427 2.837 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2)cc1 113870576 UPWITRQHNUMHNQ-UHFFFAOYSA-N 382.825 2.578 0 40 GFAB COc1c(I)ccc(I)c1OC 114767904 FNVJASGIWTYZRX-UHFFFAOYSA-N 389.958 2.913 0 40 GFAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccccc1 139106874 XROVXQMFZWLXGL-HUUCEWRRSA-N 395.463 2.603 0 40 GFAB C[C@@H]1CN(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 195729267 VSRQTQASZMJZBW-VXGBXAGGSA-N 397.324 2.706 0 40 GFAB O=C(O)[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 218184249 DUWBNELAXSPBOM-JYJNAYRXSA-N 380.805 2.709 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218433649 IVOMYWUFIFBWNR-LNLFQRSKSA-N 393.892 2.849 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)NC[C@@H](C)c2ccccc2)Oc2ccccc21 224227559 SEHPDPPRTAUHOH-BEFAXECRSA-N 388.489 2.524 0 40 GFAB COCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224287864 WBLWPXMIANZUTP-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(Cc2ccc(F)cc2)CC1 225270229 OIXYPIICSNIHBB-IBGZPJMESA-N 384.451 2.994 0 40 GFAB CSCC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 225406137 UBSXSDGSSIBUEF-PKOBYXMFSA-N 384.501 2.614 0 40 GFAB biogenic O=S(=O)(c1ccc(F)c(F)c1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238821305 CSANRUWWUMXBSZ-GJZGRUSLSA-N 391.399 2.920 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242649305 SAMHDTTZRKOMFC-JZXOWHBKSA-N 379.865 2.540 0 40 GFAB C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1)[C@H]1C[C@H]2CC[C@H]1C2 245237842 ZARGVBGIFOXWHK-BNFNPCLUSA-N 390.524 2.909 0 40 GFAB Cc1nonc1CC(=O)N1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 257220515 DLCCYSVBWYNNRW-FQEVSTJZSA-N 396.422 2.646 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN3CCCC3)cc2)[C@H]1O 257227324 FOTKGWZKGKNXKL-NJDAHSKKSA-N 382.508 2.672 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2ncc[nH]2)C1 257260249 LBZMZWNNSIHKHL-OAHLLOKOSA-N 381.484 2.917 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCCC2)cn1 257274327 NKMWUINEJYGHLO-CZYKHXBRSA-N 395.503 2.555 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)c1 390829812 GUENGJDABXKQRM-MRXNPFEDSA-N 399.559 2.915 0 40 GFAB CCc1c(C)nc2s/c(=C\c3c(C)n(C)c4ccc(C)cc34)c(=O)n2c1=O 409042646 XHBWNGNPZICJKI-ZDLGFXPLSA-N 379.485 2.643 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCCCCC1 409389580 HNDIXNSNBZAJCL-UHFFFAOYSA-N 382.526 2.900 0 40 GFAB O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 500668324 GWPIETZUDQXEMI-GVDBMIGSSA-N 392.425 2.694 0 40 GFAB O=C(C1CC1)N1CCN(C(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1 522879381 JITMMKSZOOLIOS-QFIPXVFZSA-N 389.499 2.871 0 40 GFAB O=C1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)c2cccc(F)c2N1 541587899 WVYJQWGDLACGSG-UHFFFAOYSA-N 386.351 2.617 0 40 GFAB O=C(NCc1cccc(N2CCOCC2)n1)c1cnn(-c2ccccc2Cl)c1 547846258 PYCZXJJLIQAFRE-UHFFFAOYSA-N 397.866 2.687 0 40 GFAB CCOc1ccc(C(C)(C)C(=O)N[C@H]2CCC(=O)NC2(C)C)cc1OCC 585080406 IDPXPAAYWJGYLQ-KRWDZBQOSA-N 376.497 2.935 0 40 GFAB O=C1CN(C(=O)c2ccnc(OC3CCCCC3)c2)CCN1CC(F)(F)F 585082186 XXGCOQFIFVSPPW-UHFFFAOYSA-N 385.386 2.640 0 40 GFAB CCc1cccc(Oc2cc(-c3noc(Cn4nc(C)n(C)c4=O)n3)ccn2)c1 585091223 NTAUAXDBOLAUMF-UHFFFAOYSA-N 392.419 2.738 0 40 GFAB CC[C@@H](CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)C(=O)OC 592864981 SCMDKAIBRFCLKH-NSHDSACASA-N 380.242 2.564 0 40 GFAB COc1cc(OC)c2c(c1)N(C(=O)c1cccc(Cn3cncn3)c1)CCC2 628701911 IQFQWNHXDQEMFZ-UHFFFAOYSA-N 378.432 2.937 0 40 GFAB Cn1ccnc1[C@H](NC(=O)NCc1ccccc1C(F)(F)F)C(C)(C)CO 663857370 XOVVMTLYMQMMTJ-AWEZNQCLSA-N 384.402 2.998 0 40 GFAB CC(C)Nc1nc(NCCO)nc(N[C@@H](Cc2ccccn2)c2ccccc2)n1 672253845 UFBMWXWCPQQGJL-SFHVURJKSA-N 393.495 2.887 0 40 GFAB O=C(NC1(CN2CCN(c3ccc(F)cc3)CC2)CC1)c1ccc2nc[nH]c2c1 685939038 RLLHFCVGLWCKCR-UHFFFAOYSA-N 393.466 2.787 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NCC1(c2ccsc2)CCOCC1 952990393 ZDUQTEBTDYMHOJ-UHFFFAOYSA-N 388.489 2.868 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)cc1 1505839962 UXKGMFJKGGTMRH-CYBMUJFWSA-N 385.474 2.691 0 40 GFAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC3CC(c4ccncc4)C3)c2)C1 1616030926 HOLYRYXGYPQFQN-HWELCPFYSA-N 378.520 2.815 0 40 GFAB O=C([C@H]1CN(c2ncc(Cl)cc2Br)CCO1)N1CCCCC1 1888913804 FTMDTXWOUGIWRL-CYBMUJFWSA-N 388.693 2.715 0 40 GFAB COc1cccc2sc(N3CCN(c4ccc5nc(C)cn5n4)CC3)nc12 1888930396 DCBQEKHPOYZQAL-UHFFFAOYSA-N 380.477 2.983 0 40 GFAB O=C(COc1ccc(Br)cc1)OCC(=O)N1CCc2ccccc21 2635231 RVPVWCSSXNXDGC-UHFFFAOYSA-N 390.233 2.960 0 40 GFAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 2656641 SHJZFUFTTPVSLP-GFCCVEGCSA-N 379.382 2.852 0 40 GFAB COc1ccc(C2=NN(C(=O)c3ccccc3O)[C@@](O)(C(F)(F)F)C2)cc1 910701 ZPADGBOHJJEDJV-KRWDZBQOSA-N 380.322 2.902 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)S(C)(=O)=O)CC2 3635553 SBNAZRKADOUSFT-GOSISDBHSA-N 375.446 2.816 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 3957746 IDDYFCSPGBJCLZ-HNNXBMFYSA-N 377.466 2.639 0 40 GFAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]3Cc1ccccc1 4044108 FFCSIQDHUAMNEF-ISKJSYKVSA-N 375.424 2.665 0 40 GFAB biogenic Cc1nccn1-c1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cn1 53546367 LWDQVYKHOGONEL-GJZGRUSLSA-N 392.463 2.837 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 4514445 PPJIXFYMPILTPK-NRFANRHFSA-N 397.406 2.824 0 40 GFAB O=S(=O)(c1ccccc1Br)N1CCN(c2ccccc2)CC1 6314726 YRFKJCQNBPEHJI-UHFFFAOYSA-N 381.295 2.960 0 40 GFAB Cc1ccc(CN(C)C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)c1 7682512 ZKHCWQRBSGIBNE-UHFFFAOYSA-N 383.477 2.735 0 40 GFAB COC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)cc1 100863126 XZKVHGVWRXUNMN-VKFLQFAXSA-N 380.448 2.999 0 40 GFAB CCn1nccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 9477285 PDIAXSWLIQRRLS-UHFFFAOYSA-N 384.461 2.980 0 40 GFAB O=C(CN1CCOCC1)Nc1nc(-c2ccc(Br)cc2)cs1 3151400 GZTBCSWSEHWLTK-UHFFFAOYSA-N 382.283 2.843 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 12526244 QQTFFWCIDYLQNC-GFCCVEGCSA-N 376.434 2.714 0 40 GFAB CCOc1ccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12506441 HYLCOQNJKJIIBH-GOSISDBHSA-N 379.420 2.693 0 40 GFAB CCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 1603349 LFEZTSMGXQEDPU-UHFFFAOYSA-N 384.388 2.617 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)O)c2)cc1Cl 20152920 ZYNMVXDQNGRNRW-UHFFFAOYSA-N 380.809 2.879 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(Cl)cc1 22251484 FNDCNGMNWCHSDN-UHFFFAOYSA-N 382.869 2.674 0 40 GFAB COc1cc(CCC(=O)OCC(=O)NCc2ccccc2)cc(OC)c1OC 3285992 UXHQKCZSMDTSOR-UHFFFAOYSA-N 387.432 2.505 0 40 GFAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C[C@H](O)c3ccccc3)CC(=O)N21 2105217 PNJBYUKBHJXKKR-GKCIPKSASA-N 389.455 2.558 0 40 GFAB biogenic COc1ccc(-c2nnc3c4cnn(-c5ccc(F)cc5)c4ncn23)c(O)c1 2342634 CKWBXFSXBNUAQT-UHFFFAOYSA-N 376.351 2.984 0 40 GFAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 11251418 PWYCSVUFZFUUJJ-GFCCVEGCSA-N 384.354 2.793 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1 29620005 DIROVUKPTHFLLV-AWEZNQCLSA-N 388.518 2.876 0 40 GFAB COc1cc(CC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC 3319462 ABVMJUROECPKDE-AWEZNQCLSA-N 387.432 2.676 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)Cn1ccc(=O)c2ccccc21 48373903 IVPPAQLZCCAPIH-HNNXBMFYSA-N 394.427 2.889 0 40 GFAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)OCc1cc2ccccc2nc1Cl 12886185 JWHVIJVJEVIABU-UHFFFAOYSA-N 395.802 2.635 0 40 GFAB C[C@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)CCCC2 12804269 DAWRMMHVQSBSQR-HNNXBMFYSA-N 398.507 2.502 0 40 GFAB CCOc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)cc1 12986721 FGXCKBGAMNIJIH-UHFFFAOYSA-N 393.325 2.625 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 71285361 UAEZIAPMEXQAKZ-IAGOWNOFSA-N 379.416 2.580 0 40 GFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 113966762 VXXSIVCPWCKKME-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB COc1ccc(/C=C/C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5219187 ROKUXZNKNKGJNB-FSNWXROXSA-N 375.446 2.517 0 40 GFAB COc1cc(OC)cc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 20493616 PIXHAEQLWYNULN-ZDUSSCGKSA-N 375.421 2.977 0 40 GFAB CC(=O)N1CCC2(CC1)CN(C(=O)C1CCNCC1)c1ccc(Cl)cc12 63528039 NMMPFEWBOHVGIQ-UHFFFAOYSA-N 375.900 2.566 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 14246463 PTMFEMHIVJGVQB-GOSISDBHSA-N 379.420 2.657 0 40 GFAB O=c1c(Cl)c(NCc2ccc(Cl)cc2)cnn1[C@H]1CCS(=O)(=O)C1 6590129 NAHOHOMISOARKG-LBPRGKRZSA-N 388.276 2.522 0 40 GFAB COCCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@H]1CC(=O)Nc1ccccc1 4699924 UGQWCTNOLKENKZ-GOSISDBHSA-N 397.431 2.508 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1cccs1 4676920 SYJRQINBVWTCCZ-UHFFFAOYSA-N 375.469 2.632 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1ncnc2sc3c(c12)CCC3 5519400 JNEUJJZKSTZPAE-UHFFFAOYSA-N 379.507 2.732 0 40 GFAB COCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 4741102 DCTLTBCOEYVGCM-UHFFFAOYSA-N 396.896 2.606 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3ccccc3)c2=O)n1 4940323 BVECOIPFJNABMO-UHFFFAOYSA-N 397.456 2.711 0 40 GFAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccccc1F 9366704 VFGDNSAMNBRMHT-UHFFFAOYSA-N 388.439 2.935 0 40 GFAB CS(=O)(=O)Cc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 8077086 KYNMOIQFRJJAAC-UHFFFAOYSA-N 392.908 2.847 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8401238 CHAHTCXEZBCYSJ-UHFFFAOYSA-N 377.466 2.647 0 40 GFAB CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(C)c(C)c2)CC1 9518699 OVTAYVVPYNMRRT-UHFFFAOYSA-N 380.452 2.711 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 408608748 SBYNSCLFWSNMAQ-GFCCVEGCSA-N 380.491 2.723 0 40 GFAB COc1ccc2c(ccn2CC(=O)NC2CCC(O)(c3cccnc3)CC2)c1 97095832 NBEYDRUGPZENOZ-UHFFFAOYSA-N 379.460 2.992 0 40 GFAB Cc1cc(C(=O)NCCCN2CCOC2=O)c2cc(Br)ccc2n1 95947415 UZDJRQWNGDUEHN-UHFFFAOYSA-N 392.253 2.878 0 40 GFAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408620891 KDMTXUXYLKJCPD-CYBMUJFWSA-N 388.917 2.666 0 40 GFAB O=C(Nc1ccccc1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556146 VESIXZIQAXRRSP-UHFFFAOYSA-N 391.431 2.755 0 40 GFAB O=C(COC(=O)c1cnc(-c2ccccc2)nc1)c1ccc2c(c1)OCCO2 408531441 LYVWJEYEPJCXJA-UHFFFAOYSA-N 376.368 2.955 0 40 GFAB O=C(COc1ccc(F)cc1)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997391 IPRNHVFOBXFLPY-UHFFFAOYSA-N 391.874 2.796 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c(C)c1 70762739 OVYMSKAFZFYCPJ-MRXNPFEDSA-N 389.395 2.732 0 40 GFAB O=C(C[C@]1(C(=O)O)CC(c2ccc(F)cc2)=NO1)Nc1cccc(C(=O)O)c1 72406141 NKNLCAYRWVXZLU-IBGZPJMESA-N 386.335 2.501 0 40 GFAB C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 223857271 PVZHFFSICSMRHT-LBPRGKRZSA-N 387.910 2.924 0 40 GFAB COc1ccc(Cl)cc1NC(=O)N1CC(c2nc(-c3cnccn3)no2)C1 49486100 PSNLPQDWSLYYBD-UHFFFAOYSA-N 386.799 2.820 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CSCc2ccc(OC)cc2)s1 224976851 GPKFKPSENSKTME-UHFFFAOYSA-N 399.519 2.684 0 40 GFAB CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(OC)cc2)cc1 225957877 QOULCWXMMYBWCI-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccnc1-c1ccncc1 225750040 PYXJYTUSAYSIGL-CQSZACIVSA-N 377.400 2.956 0 40 GFAB O=C1C[C@@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1Cl 96663064 LZBGNAXDTZDZBS-QGZVFWFLSA-N 385.851 2.921 0 40 GFAB Cc1cc(C)cc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)c1 96237734 CAVZSSGCPABAIM-HSZRJFAPSA-N 377.488 2.867 0 40 GFAB Cc1ccc(CCNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1 97943956 XERPZWXAFQVGRH-IBGZPJMESA-N 380.423 2.970 0 40 GFAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2ccc[nH]c2=O)cc1 95473310 IEPAMYFJESTZEK-HNNXBMFYSA-N 382.401 2.683 0 40 GFAB CS(=O)(=O)N1CCc2cc([C@H](O)CN3CC[C@H]4CCCC[C@@H]4C3)ccc21 247542479 SQFQHBRYJDGHQJ-XFQXTVEOSA-N 378.538 2.554 0 40 GFAB O=C(O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242464068 DUWBNELAXSPBOM-ARFHVFGLSA-N 380.805 2.709 0 40 GFAB Cc1cnc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)cn1 257325519 WTHROIWIKDBVTQ-QAQDUYKDSA-N 384.528 2.626 0 40 GFAB C[C@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1 24767380 WGJPVIIJIAJIHN-HNNXBMFYSA-N 394.475 2.776 0 40 GFAB CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)C2(C(=O)O)CC3(CCC3)C2)cc1 630297327 FCQPDMKBHXDWIV-CYBMUJFWSA-N 379.478 2.693 0 40 GFAB O=C(CCNC1CCN([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1 655704525 DYCQDTKVXBFYMR-KRWDZBQOSA-N 396.329 2.621 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccccc2C)cc1 96105119 RFCXICUCPMHJAU-KRWDZBQOSA-N 378.450 2.839 0 40 GFAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 585088652 UPSONHKYMSFJSI-OAQYLSRUSA-N 389.496 2.845 0 40 GFAB COC[C@@H]1CC2(CCN(C(=O)c3ccnc(F)c3)CC2)CN1Cc1cccnc1 585103277 BHJPOOBGRBCKAV-IBGZPJMESA-N 398.482 2.759 0 40 GFAB COc1ccc([C@H](CNC(=O)NC2CCCCC2)N2CCOCC2)cc1OC 46704028 VNNRIAYNLWIDAX-SFHVURJKSA-N 391.512 2.709 0 40 GFAB COc1ccc(CN2CC[C@H](Nc3cccc(N4CCOCC4)c3)C2=O)cc1 663299492 LSXIQXBYIYCFAV-NRFANRHFSA-N 381.476 2.745 0 40 GFAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 5240353 JSGJWSQWPBGCKP-CYBMUJFWSA-N 390.823 2.772 0 40 GFAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)n1 12154023 HZNBKRUINVHMPL-QGZVFWFLSA-N 382.468 2.619 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407860 USSLUVMVFPZSFO-JKSUJKDBSA-N 393.413 2.889 0 40 GFAB O=C(Nc1ccccc1OCCn1cccn1)c1nn2cccnc2c1Cl 19350037 CGLLXXAHWBLBRA-UHFFFAOYSA-N 382.811 2.911 0 40 GFAB CC1CCN(CCNC(=O)C2CCN(c3ncnc4ccccc34)CC2)CC1 19496900 SXUYSAKVCBOXOW-UHFFFAOYSA-N 381.524 2.694 0 40 GFAB CCCCCC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C 19502208 SJCDQTPOLMUHCA-NJNPRVFISA-N 398.507 2.816 0 40 GFAB COc1cccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC 19567625 IKZWTARTLYTMFW-QGZVFWFLSA-N 392.459 2.839 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3CN3CCCC3)n2)cc1 19661719 PUJMMYOAKJIIDA-UHFFFAOYSA-N 376.464 2.883 0 40 GFAB COc1ccc(C(=O)NCC2CCCCC2)cc1S(=O)(=O)N1CCCC1 3537201 AOZDAOGAYDMGTA-UHFFFAOYSA-N 380.510 2.790 0 40 GFAB Cc1nc(C(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)cs1 1888888511 QMRWFGARKFVCAV-UHFFFAOYSA-N 381.461 2.577 0 40 GFAB C[C@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1ccc2c(c1)OCO2 16295054 SRPBTGFWCHIUQV-LBPRGKRZSA-N 389.481 2.704 0 40 GFAB COc1ccc(CC(=O)N2CCCN(C3CCSCC3)CC2)cc1OC 1849665292 KAQLTIHSIHEPMY-UHFFFAOYSA-N 378.538 2.676 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037989139 WXJSSXFXFOIDQN-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB Cc1cccc(NC[C@@H]2CO[C@@]3(COCCN(C(=O)C4(F)CCC4)C3)C2)c1 1565548093 QWDJDEMVDPQORU-XLIONFOSSA-N 376.472 2.933 0 40 GFAB CCN1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 4087239 SOUNOXYZPHBXPB-UHFFFAOYSA-N 393.896 2.896 0 40 GFAB CCCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O 4249383 IHZAXDUDCHVBBM-UHFFFAOYSA-N 387.871 2.810 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCCc2ccccc2)s1 4328755 NWKGDLWNOGSRNB-UHFFFAOYSA-N 378.523 2.974 0 40 GFAB O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccc2c(c1)OCO2 5097632 UIZLIBTXRPRZMT-UHFFFAOYSA-N 394.836 2.861 0 40 GFAB CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 8961837 OKLDLBCTMDZNRB-UHFFFAOYSA-N 390.461 2.644 0 40 GFAB COc1cc(C(=O)NC[C@H](c2cccn2C)N2CCCC2)cc(OC)c1OC 11845534 WPSYFINROFUWEG-QGZVFWFLSA-N 387.480 2.618 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 13791360 BXFKJTWGOUOEFF-FQEVSTJZSA-N 386.517 2.887 0 40 GFAB COc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2C)c(N2CCCC2)n1 206731066 OQGUMXRMPVLPRA-UHFFFAOYSA-N 392.481 2.512 0 40 GFAB COc1cccc(-c2cc(C(=O)NCCn3cc(-c4ccco4)cn3)n(C)n2)c1 575615488 PDLHHJLQMAEJHU-UHFFFAOYSA-N 391.431 2.982 0 40 GFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Br)o1 5075543 VFQDRFROHVDPRU-UHFFFAOYSA-N 385.239 2.834 0 40 GFAB CSc1nc(C2CC2)nc(C)c1C(=O)OCN1C(=O)c2ccccc2C1=O 31246887 LWOADAWVYVBLMO-UHFFFAOYSA-N 383.429 2.795 0 40 GFAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCN(Cc2ccccc2)CC1 101373038 PZWIVMWTVOODOK-UHFFFAOYSA-N 397.519 2.649 0 40 GFAB COc1ccc(CNC(=O)c2nc(-c3ccc(N(C)C)cc3)no2)cc1OC 20744543 ZWVBWUMHQBHYES-UHFFFAOYSA-N 382.420 2.750 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1 32843036 FUHWFUBDWHXIPQ-UHFFFAOYSA-N 393.487 2.536 0 40 GFAB COc1ccc(OC)c(-n2nnnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)c1 932148 GRVXMVWFQJJKIT-CHWSQXEVSA-N 391.497 2.561 0 40 GFAB COc1ccc(CC(=O)N2N=C(C)C[C@@]2(O)C(F)(F)OC(F)(F)F)cc1 4200065 HSONZIAULHMWBQ-CYBMUJFWSA-N 382.285 2.664 0 40 GFAB Cc1nnc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 4541076 UMOLGLMBNMBHQO-UHFFFAOYSA-N 393.519 2.754 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4553908 RMQCCKLLPIYWAU-DACLVMHWSA-N 383.444 2.994 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885753 JWHVOBLPPCZCFU-GKAYAJSDSA-N 392.455 2.685 0 40 GFAB COc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)c1 22534337 HIVRBYVVADHMLJ-CQSZACIVSA-N 391.493 2.801 0 40 GFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6817969 KIFKCWKOYBFSQH-SNVBAGLBSA-N 390.446 2.523 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23866515 USJWZVFARGATAZ-UHFFFAOYSA-N 381.457 2.983 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 54294111 VPXLHAAJTHDHGE-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB C[C@@H]1N=C(O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O 72326221 VNAPRRWSCGCQEY-NSHDSACASA-N 380.429 2.975 0 40 GFAB biogenic C[C@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 105709496 SCKSQEPVVFHCLJ-NBOOPKSLSA-N 399.491 2.659 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 28609456 KSZDHLVABCALOK-SFHVURJKSA-N 380.444 2.834 0 40 GFAB CC(=O)Nc1ccc2nc(NC(=O)CCNC(=O)Cc3ccccc3)sc2c1 24975972 JQMVLFUHOOSMLK-UHFFFAOYSA-N 396.472 2.942 0 40 GFAB COC(=O)c1c(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCCC2 100642962 JDLSIIZPYMLWOH-APYUEPQZSA-N 389.473 2.861 0 40 GFAB Cc1cc(C)cc(COCn2cc(NCCc3ccccc3)c(=O)[nH]c2=O)c1 1429982 WFLIRQBYFFWPAQ-UHFFFAOYSA-N 379.460 2.982 0 40 GFAB CCn1c(SCC(=O)NCCCc2ccccc2)nc2cc(C)[nH]c2c1=O 57521986 PRNFYBZTERRLLV-UHFFFAOYSA-N 384.505 2.894 0 40 GFAB CCS(=O)(=O)N(C)C(=O)/C=C/c1ccccc1OCc1csc(C)n1 58174193 BPCNGXZJOQINKQ-MDZDMXLPSA-N 380.491 2.852 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22329485 VLOWZFGZEKULFU-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 44840463 RQTZAEBXYWHYEC-AWEZNQCLSA-N 393.443 2.976 0 40 GFAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccn1)CO3 57142909 APPPVAAGZLVMJP-UHFFFAOYSA-N 380.400 2.564 0 40 GFAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C)C(=O)O 12664388 XBTFOTKXOMULDL-MMPTUQATSA-N 393.871 2.566 0 40 GFAB biogenic CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(F)cc1 101176176 XJTOZJAEUQGOBW-TWFHAPMSSA-N 394.439 2.769 0 40 GFAB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(C)C1=O 26593295 SSIGUEQTMCQROT-IZZDOVSWSA-N 386.223 2.667 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2ccc(N3CCCC3)nc2)nn1-c1ccccc1F 23995279 XCVHYJKGTPVSMH-UHFFFAOYSA-N 393.422 2.928 0 40 GFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCN(c2nccs2)CC1 11187030 KWNMZCWJTJTLAX-OWOJBTEDSA-N 391.880 2.930 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)OCC(C)C)c12 12763003 UNOWADCUFVFQPA-AWEZNQCLSA-N 391.493 2.790 0 40 GFAB CCOC(=O)c1cc(C)sc1NC(=O)Cn1cnc2sccc2c1=O 69926830 ODXOVEKZIDTKPT-UHFFFAOYSA-N 377.447 2.643 0 40 GFAB C[C@H](OC(=O)[C@@H]1COCCO1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 46313374 VBDUIIQJMKDQPF-CPCISQLKSA-N 382.627 2.932 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1OC(F)F 12802789 ZMJJSKRPSQJHFH-UHFFFAOYSA-N 378.331 2.661 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 3462350 NRIQANWNOXKDDG-LJQANCHMSA-N 391.349 2.900 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cc(C(F)(F)F)ccc1=O 3534269 SJJYQDWGTZPPSC-UHFFFAOYSA-N 379.338 2.631 0 40 GFAB Cc1cccc(CNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113957972 LCRSTFNBWBIRLL-ZDUSSCGKSA-N 382.432 2.744 0 40 GFAB CCOc1ncccc1C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 8980932 JQAOSEOTFNLXCV-UHFFFAOYSA-N 395.415 2.951 0 40 GFAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2)CC1 4123071 WVHRZGKWRMMUPT-UHFFFAOYSA-N 398.532 2.964 0 40 GFAB COC(=O)c1ccc(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 5191820 GWPBQONOTOAYEB-MRXNPFEDSA-N 383.400 2.578 0 40 GFAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCCC[C@H]2C(N)=O)c1 9112494 NUBZWWBOGFKCAJ-IBGZPJMESA-N 394.475 2.526 0 40 GFAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(COc2ccccc2)o1 6358620 ZVDGVZHAIGIOBG-UHFFFAOYSA-N 377.356 2.778 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 5354945 UWFDEINGMKIUPQ-UHFFFAOYSA-N 386.765 2.600 0 40 GFAB COc1ccccc1C(=O)C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21 5450953 XKSWOCJLRVQGFQ-HSZRJFAPSA-N 394.471 2.946 0 40 GFAB COc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 9236424 DCZGLJTXPWMBEH-MSOLQXFVSA-N 395.488 2.671 0 40 GFAB CC(C)n1cc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)cn1 66387995 GYJMHDRZWBRMJP-NRFANRHFSA-N 395.463 2.792 0 40 GFAB Cn1nc(C(=O)Nc2nnc(Cc3ccccc3)s2)c2ccccc2c1=O 6790685 SRMBDQGOSPHVIS-UHFFFAOYSA-N 377.429 2.628 0 40 GFAB Cc1cc(=O)c(C(=O)N2CCCC2)c(CCc2ccccc2)n1CCN(C)C 14992414 LYTSGJVDVCFCLG-UHFFFAOYSA-N 381.520 2.740 0 40 GFAB Cn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1C(F)(F)F 6861560 VNOOFIYRZFDDMI-UHFFFAOYSA-N 378.807 2.938 0 40 GFAB COC(=O)c1cc(OCC(=O)N[C@H]2CCCc3ccccc32)cc(C(=O)OC)c1 6948195 MOYRGPGFLBIBJW-IBGZPJMESA-N 397.427 2.832 0 40 GFAB CCCc1cc(=O)[nH]c(SCC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)n1 7654093 VJVOOECHDIYIPG-UHFFFAOYSA-N 377.466 2.819 0 40 GFAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)C(=O)Nc1sccc1C(N)=O 8484940 UJOSKZOZCKEOMH-DCAQKATOSA-N 388.445 2.915 0 40 GFAB NC1CCN(CC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 97229018 BCSSZAJQAJLWLX-UHFFFAOYSA-N 376.888 2.610 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1 84200108 BEVCPMJSRKAGBI-QGZVFWFLSA-N 375.469 2.708 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)c2nc(Br)cs2)C[C@@H](C)O1 97165719 KTKIHQCLPNADIU-AOOOYVTPSA-N 376.320 2.523 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 95949334 YCVGDUCKOPZGIQ-UHFFFAOYSA-N 392.525 2.572 0 40 GFAB CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89385924 VDBYWVGYPVEBOA-HUUCEWRRSA-N 384.263 2.614 0 40 GFAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1)c1ccc(C)cc1 20111785 XRGNMNPXAJIHIU-QGZVFWFLSA-N 376.478 2.793 0 40 GFAB Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCN(CC2CCC2)CC1 1506396328 GRVZXKGBHSFBSB-UHFFFAOYSA-N 381.523 2.818 0 40 GFAB CC(C)c1ccc([C@H](C)NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)cc1 36612409 BNLYREREZBRNQP-HNNXBMFYSA-N 384.480 2.507 0 40 GFAB O=C(NCCSC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31236412 SKCMADBMTIIFFF-INIZCTEOSA-N 396.578 2.879 0 40 GFAB CNc1nc([C@H]2CCCN2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 72345870 MYVCQTGAKRBVLJ-HXUWFJFHSA-N 379.508 2.803 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1Cl 219428475 SMESOOQHEMFBBO-UHFFFAOYSA-N 378.837 2.903 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219445392 XGBMWKJXVXUERW-OAHLLOKOSA-N 386.473 2.797 0 40 GFAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)C2=O 39544508 CXHJGYJHZWYTQK-MIGDOEGOSA-N 393.528 2.539 0 40 GFAB COCCOc1cc(CN2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)ccc1OC 72343316 LHTSPDYUIIYRMI-GHTZIAJQSA-N 382.460 2.955 0 40 GFAB Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1F 41091239 MGZUSHSWAXPZPB-QGZVFWFLSA-N 376.409 2.590 0 40 GFAB Cc1ccc(C(=O)NCCSCc2ccco2)cc1N(C)S(C)(=O)=O 222452207 LSGRBONNNZWHLQ-UHFFFAOYSA-N 382.507 2.647 0 40 GFAB CSc1ncc(Cl)c(C(=O)NCCC(=O)NCc2ccc(C)cc2)n1 41156294 PZFYUSZJQRTLNP-UHFFFAOYSA-N 378.885 2.597 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1snnc1-c1ccc(OC)cc1 94992924 PIUJUNVLYQQMDL-MRXNPFEDSA-N 397.456 2.728 0 40 GFAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)[C@H]1COc2ccccc2O1 96103736 HISMOJGFCGNCQS-OAHLLOKOSA-N 381.354 2.736 0 40 GFAB CC(C)C[C@]1(O)CCN(C(=O)CCc2cnn(C)c2)C[C@@H]1Oc1ccccc1 257299972 RSIXRJPUZDJFNR-RBBKRZOGSA-N 385.508 2.810 0 40 GFAB CNC(=O)c1sc2nc(C3(C)CCN(c4ccncn4)CC3)ccc2c1N 257211400 BYSCLBBFYGWLFD-UHFFFAOYSA-N 382.493 2.586 0 40 GFAB COc1cc2nc(N3C[C@H](C)O[C@H](CC(F)(F)F)C3)nc(N)c2cc1OC 664637497 CXMPEQNHVYJYLB-VHSXEESVSA-N 386.374 2.775 0 40 GFAB Cc1cc(S(=O)(=O)N[C@](C)(C(=O)O)[C@@H]2C[C@H]3CC[C@H]2C3)cc(C(=O)O)c1C 1615586607 POTFYWAGIVRASV-MCBIMKKHSA-N 395.477 2.559 0 40 GFAB Cc1noc(C)c1CN1CCC[C@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 585100710 UKRVQQIEBXUZRS-NRFANRHFSA-N 390.528 2.507 0 40 GFAB O=C(C1CC(O)C1)N1CCC[C@]2(CCCN2c2ncnc3ccccc23)CC1 585099973 BRLWGHNJYPGFAR-XWTGJVNOSA-N 380.492 2.752 0 40 GFAB COc1cccc2nc(NC(=O)NC3(c4nc(C)no4)CCOCC3)sc12 952852338 XYDFUKLOTSMPBG-UHFFFAOYSA-N 389.437 2.824 0 40 GFAB CC(=O)N1CCC(NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3Cc2ccccc2)CC1 1775963927 KGDASCWHDWCTJE-FBEWHJACSA-N 383.536 2.660 0 40 GFAB biogenic,in-vitro Cn1c(CCNS(=O)(=O)c2ccccc2)nnc1SCc1ccccc1 5001761 XZZZJGTVQDEHQK-UHFFFAOYSA-N 388.518 2.628 0 40 GFAB COCCNC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 5017798 DMDLHAHTZLYAIP-HUUCEWRRSA-N 398.385 2.928 0 40 GFAB COc1ccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 12583504 KLAPGJZPSZNPRC-UHFFFAOYSA-N 381.432 2.581 0 40 GFAB Cc1cc(C)cc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1 16740628 UVFWGEYPTNBTRV-MRXNPFEDSA-N 377.487 2.809 0 40 GFAB Cc1cc2nc(C[C@H](NC(=O)[C@H]3CCCCO3)c3ccc(F)cc3)cc(O)n2n1 19129852 GGLLRHJSSADCSL-ZWKOTPCHSA-N 398.438 2.852 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@@H](C)Cn2cnc3ccccc32)n1C 19457732 WSSCCLNEPJXLDW-XJKSGUPXSA-N 384.509 2.887 0 40 GFAB CCOc1ccccc1C(=O)N1C[C@H]2N(C)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 19520141 COOCEWKXTPGFCZ-XXBNENTESA-N 392.455 2.885 0 40 GFAB CCOc1ccc(CC(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)cc1 371247291 LVFCTFYYXHOAGA-ZDUSSCGKSA-N 382.386 2.660 0 40 GFAB Cc1nc(CC2CCN(S(=O)(=O)c3ccc(-n4cccc4)cc3)CC2)no1 1657089765 AVUOIOUJIWRGNP-UHFFFAOYSA-N 386.477 2.812 0 40 GFAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(OC(F)(F)F)cc1 245020868 MKXANEXLMZRQBF-UHFFFAOYSA-N 377.326 2.706 0 40 GFAB COc1ccc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCO4)o2)c(OC)c1 9521647 CEYAFYGHHQEXDI-UHFFFAOYSA-N 383.360 2.664 0 40 GFAB Cc1nc(CN2CC3(CCN(C(=O)c4ncnc(C)c4C)CC3)CC2=O)cs1 2055795996 HCYQJGXCWOKMMW-UHFFFAOYSA-N 399.520 2.513 0 40 GFAB CN1CCN([C@H](CNC(=O)c2c(F)cccc2F)c2ccc(F)cc2)CC1 22579566 IXBBLPBGIZUDAG-GOSISDBHSA-N 377.410 2.822 0 40 GFAB O=C(Cn1nc2c(c1NC(=O)c1ccco1)CSC2)NCc1ccccc1 23139451 SAACMTRTVRWPND-UHFFFAOYSA-N 382.445 2.792 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149090 VFLRFUKTJJGSIJ-HNNXBMFYSA-N 377.437 2.947 0 40 GFAB Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 6286116 LJKSTTGGNYMPSG-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CCCCCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(C)C 40072630 QRRZSZPEWDZKBB-UHFFFAOYSA-N 399.557 2.785 0 40 GFAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CC1 40034343 ZRLFXAOBDKPPOI-CQSZACIVSA-N 392.908 2.855 0 40 GFAB Cc1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1S(N)(=O)=O 40069656 IUYLETJPCAWDIF-UHFFFAOYSA-N 397.456 2.869 0 40 GFAB Cc1oc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCC1 40142311 VMBDXNQEIGPMCY-GOEBONIOSA-N 398.525 2.698 0 40 GFAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 40116850 UXCSWTOKWGYKRF-KRWDZBQOSA-N 383.370 2.531 0 40 GFAB O=C(CNC(=O)c1ccc2ccccc2c1)NCCN1CCc2ccccc2C1 31338726 SPKLWOUKYNBTSX-UHFFFAOYSA-N 387.483 2.744 0 40 GFAB Cn1cc(-c2nc(C(=O)NCCNc3nc4ccccc4s3)cs2)cn1 52564504 FQYVSZNBXJFRJQ-UHFFFAOYSA-N 384.490 2.995 0 40 GFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc2c1CCCC2 32901708 QIIXJJLRPSJCNJ-CYBMUJFWSA-N 383.473 2.631 0 40 GFAB COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 827560 OTBQKKPKYONDMJ-UHFFFAOYSA-N 388.489 2.821 0 40 GFAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccc1N 1364474 BFXHPFFOONUANG-UHFFFAOYSA-N 397.460 2.566 0 40 GFAB CC(=O)Oc1cccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)c1 2376191 MVFWLUIQSFEGSS-BOPFTXTBSA-N 377.425 2.599 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 3244748 OOKFHUKSIOEQNQ-KRWDZBQOSA-N 381.428 2.678 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccc(OC)cc2)c1C 3326975 QLHCTIBAJMKZSG-UHFFFAOYSA-N 389.404 2.622 0 40 GFAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cc2C1 3382291 LNINSJVHPFKIAT-VIFPVBQESA-N 378.475 2.829 0 40 GFAB Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(OC(F)F)cc1 3534658 ZXLAJTGQGVSMMS-UHFFFAOYSA-N 397.451 2.801 0 40 GFAB O=C(CO[S@](=O)c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1 4054135 VLCQEFPQZGHLHL-AREMUKBSSA-N 394.880 2.855 0 40 GFAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCCCCC1 4166649 FSMPRXFAGCRBAV-UHFFFAOYSA-N 386.456 2.844 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccccc4CC)c(C)c(C)n23)n(C)c1=O 4250798 VBAZPPAWQZVNDT-UHFFFAOYSA-N 379.464 2.728 0 40 GFAB COc1ccc(C)c2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12 4331151 XZSBGLGLJPTAJE-UHFFFAOYSA-N 381.413 2.848 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479701 DOHHPLLKNCANQY-HOCLYGCPSA-N 393.443 2.724 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)c1 4488711 AOWIXFQNVGMGPM-FDPKGLCPSA-N 377.437 2.638 0 40 GFAB Nc1c(C(=O)c2ccc(Br)cc2)sc2[nH]c(=O)c(C(=O)O)cc12 4597379 SOICVZGLWBXDDA-UHFFFAOYSA-N 393.218 2.864 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)NC3=O)cc2Cl)cc1 4696492 ZNAKHPDUYZWKTJ-OQLLNIDSSA-N 385.807 2.846 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 4740418 JQKUSDPRBRSSPP-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB COc1ccc(OCCCN2C(=O)[C@@](O)(CC(C)=O)c3cccc(C)c32)cc1 4988018 LFPRVQHNOPUQAJ-JOCHJYFZSA-N 383.444 2.986 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)COc1cccc(C)c1 5076011 FHCWRJRSNGGOSK-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 5192959 NYBUWSDWBBJABS-QGZVFWFLSA-N 396.447 2.971 0 40 GFAB COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)cc1 5343433 LAXOWBJIWUZVOU-FQEVSTJZSA-N 393.443 2.945 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)cc1 5345391 HCKYQSMSEANPJV-UHFFFAOYSA-N 389.473 2.994 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)c(C)c1 5401234 UXMCMYVBVUXFLA-UHFFFAOYSA-N 377.400 2.895 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 6763163 ISGKUAFYIORCLO-NSHDSACASA-N 383.267 2.755 0 40 GFAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1n[nH]c2ccccc12 6975524 ARJXIMYTWLITJI-UHFFFAOYSA-N 380.429 2.868 0 40 GFAB COC(=O)c1sc(S(=O)(=O)Oc2cccc(F)c2)c(C(=O)OC)c1C 7813855 NGTJTSHKHSTLCN-UHFFFAOYSA-N 388.394 2.537 0 40 GFAB Cc1cc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)ccc1Br 7920378 SXZRAQVKFRPAEH-NSHDSACASA-N 378.313 2.616 0 40 GFAB Cc1nc2ccccn2c1/C=C(/C(=O)N1CCOCC1)c1nc2ccccc2[nH]1 7985540 AOFUQPCWUCVWRS-JQIJEIRASA-N 387.443 2.918 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 8130357 JIDUSECZHIWFAY-CQSZACIVSA-N 392.477 2.677 0 40 GFAB CCCNC(=O)CSc1nnc(SCC(=O)N2CCC[C@@H](C)C2)s1 8247865 BWFRDAWDRBDPSK-LLVKDONJSA-N 388.584 2.507 0 40 GFAB CCOc1ccc(N2C[C@@H](CNC(=O)NCc3ccc(OC)cc3)CC2=O)cc1 9039667 FKMHQHDKXBABAH-QGZVFWFLSA-N 397.475 2.946 0 40 GFAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1 9626864 YLPGHTZUZAZWJJ-UHFFFAOYSA-N 397.456 2.955 0 40 GFAB CC(=O)NCc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1 9690738 LOPFMCXXJDLFJP-UHFFFAOYSA-N 396.472 2.648 0 40 GFAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCC)CC2)cc1 9885634 HBIKYCLFJAMPBC-INIZCTEOSA-N 381.542 2.844 0 40 GFAB COc1cn(CC(=O)Nc2ccccc2C)c(CSc2ncccn2)cc1=O 10254926 PTWMIIYAUZLYJT-UHFFFAOYSA-N 396.472 2.886 0 40 GFAB O=C1C[C@@H](C(=O)NCc2ccccc2Cn2cccn2)c2ccc(F)cc2N1 10572882 KBADZRPTPPDCNM-GOSISDBHSA-N 378.407 2.813 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCSc2ccc(F)cc21 10965334 ZBSXLFCZMVZLAB-CQSZACIVSA-N 388.420 2.638 0 40 GFAB O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccncc1 11794373 JFZWWWWKYBXVNM-UHFFFAOYSA-N 397.460 2.906 0 40 GFAB C[C@H]1CCc2noc(C3CCN(C(=O)CN(C)C(=O)c4ccco4)CC3)c2C1 12119893 NEBSGNMTCGVPAO-AWEZNQCLSA-N 385.464 2.871 0 40 GFAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2)CC1 12443993 MHUJJMGYOOFJIJ-UHFFFAOYSA-N 380.423 2.982 0 40 GFAB Cc1ccc(OC[C@@H](O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(C)c1 12825227 LOAQPMISMOQTOJ-SFHVURJKSA-N 390.443 2.639 0 40 GFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1cccc(Cl)c1 12890851 WPOBWQIFHGEJCS-FQEVSTJZSA-N 383.835 2.565 0 40 GFAB CCOC(=O)c1sc2nc(CC(=O)Nc3ccc(F)cc3)[nH]c(=O)c2c1C 12892992 JWLOEBPSTHNSIA-UHFFFAOYSA-N 389.408 2.790 0 40 GFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1 12999138 PFPFPWSQJJQFAD-CQSZACIVSA-N 390.461 2.536 0 40 GFAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)on1 13225908 LPTLSOANZWMVBV-LZWOXQAQSA-N 399.495 2.830 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)cc1 14239462 CNPKHRCNQAMTKI-GOSISDBHSA-N 399.516 2.765 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cccnc1SC)c1ccc(OC)c(OC)c1 14380215 QEKGDEBUJWEJHU-CQSZACIVSA-N 390.461 2.855 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(N3CCCC3=O)c(Cl)c1)CS2 14802635 BCIHGPFIRUMVHT-KDOFPFPSSA-N 393.896 2.859 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 15245930 YMSWDVGFLWWQMY-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(I)cc1 17083366 DMMDDOOIGXKYQU-MRXNPFEDSA-N 393.180 2.704 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 17298027 ZWBCLCAMSZFNAH-UHFFFAOYSA-N 383.514 2.531 0 40 GFAB Cc1cccc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 19104424 GEMVSBREAYRQCI-UHFFFAOYSA-N 388.518 2.506 0 40 GFAB Cc1nc(C)n(CC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)n1 19285752 HMRKXDWNLDFNDT-KCZVDYSFSA-N 381.524 2.764 0 40 GFAB COc1ccc(OCCn2cccc2C2=Nc3ccccc3S(=O)(=O)N2)cc1 19556886 AKSVKLSNWKVDCR-UHFFFAOYSA-N 397.456 2.946 0 40 GFAB COc1cccc(CN2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)c1 19564920 XWHVZBCVYUIJLR-SFHVURJKSA-N 399.491 2.972 0 40 GFAB Cn1cnc2cc(C(=O)N[C@@H](CCN3CCOCC3)c3ccccc3)ccc21 19718649 MVLJNDVOGRVLEW-IBGZPJMESA-N 378.476 2.767 0 40 GFAB Cc1nc(-c2cccs2)c(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)s1 19819653 JVKZNVOQASCNSE-GFCCVEGCSA-N 384.548 2.758 0 40 GFAB COc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 22230632 LMXZQQMPWTUZDR-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 25285867 JAERAGDLGPXGCD-FQEVSTJZSA-N 386.517 2.758 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 26110904 RIYJGSLPXWRLGJ-UHFFFAOYSA-N 381.281 2.597 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CCn3cnc4c(C)cccc4c3=O)ccc21 27109055 XPKYGGKGHMAJCR-UHFFFAOYSA-N 390.443 2.643 0 40 GFAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1Cl 29273433 ZBZHQTFJLFXXGS-UHFFFAOYSA-N 393.779 2.881 0 40 GFAB Oc1ccc(C2=CCN(C[C@H](O)COCc3ccc4c(c3)OCO4)CC2)cc1 32854349 RQQITUGYUOOUIZ-FQEVSTJZSA-N 383.444 2.788 0 40 GFAB Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)CN2CCOCC2)c1Cl 32929503 DKIQGGJWLHZYIO-NSHDSACASA-N 381.325 2.609 0 40 GFAB COc1cccc([C@@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCC2)c1 40068830 SDHXYJOLKHGCLM-HXUWFJFHSA-N 393.491 2.922 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCOC1)c1ccc(Cl)cc1 40089172 WRPAFHPQCHPXMQ-LPHOPBHVSA-N 386.879 2.834 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2CCN(C(=O)c3cccs3)CC2)n1 40121501 YTNHCVBLKWMZOP-AWEZNQCLSA-N 388.537 2.866 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1nc2ccccc2n1C(F)F 40153444 LTFSYSBZJVNLEN-LLVKDONJSA-N 376.363 2.801 0 40 GFAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 44337043 MCEXKTQDUNPUEP-NSHDSACASA-N 393.490 2.872 0 40 GFAB Cc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 47250446 WZXWEJODXCLDJF-NRFANRHFSA-N 378.476 2.534 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cccnc1OCc1ccccc1)CS2 48231790 PWUZVOMCFSQLBL-DYESRHJHSA-N 397.500 2.731 0 40 GFAB COc1cccc(C[C@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)n2nnnc2C)c1 48287516 OPHREFYBUXHJFQ-GDBMZVCRSA-N 397.401 2.575 0 40 GFAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 58155368 IOYYKQVHCCMNPL-LJQANCHMSA-N 386.517 2.897 0 40 GFAB O=C(CN1CCN(c2ccccc2Cl)CC1)N1CCN(c2ccccc2)CC1 58175399 VEWGTEKEXDXHQP-UHFFFAOYSA-N 398.938 2.811 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 58191581 JYSZENVDZUVXNV-NVXWUHKLSA-N 379.865 2.763 0 40 GFAB COc1ccc(N(C)C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1OC 58324418 VUPDUPJRXWJDHY-UHFFFAOYSA-N 379.416 2.591 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1cccnc1 61717673 INOIXNHLHSADNM-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 62107156 OFAPGUUJXJGPBB-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB C[C@@H]([C@H](O)c1ccccc1)N(C)CC(=O)Nc1ccc(Br)cn1 66087821 XVWDEHLVPDHPLZ-SJCJKPOMSA-N 378.270 2.837 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N1CC[C@H](N2CCCC2)C1 66190131 KHCSRXFCEAJKGP-RDJZCZTQSA-N 378.467 2.671 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 67198130 GECGLHVFUVBTLR-UHFFFAOYSA-N 375.808 2.642 0 40 GFAB Cc1ccc2oc(C(=O)N3CCC(O)(c4cccnc4F)CC3)cc(=O)c2c1 72340036 OYTSTHPJEYTHAP-UHFFFAOYSA-N 382.391 2.759 0 40 GFAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCc2ccc(F)cc2)C3)cc1 72346477 GSSICNAFPIDFBL-IBGZPJMESA-N 381.407 2.527 0 40 GFAB COc1cc2cc(CNc3ccc(N4CCOCC4)cc3)c(=O)[nH]c2cc1OC 72396089 YGUJLPWGCZJIAJ-UHFFFAOYSA-N 395.459 2.994 0 40 GFAB NS(=O)(=O)c1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cs1 79110708 WCMQNJHDTPYYMX-UHFFFAOYSA-N 394.518 2.586 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)C(=O)Cc2ccccc2)CC1=O 89271979 SLQCMSARPLVTMK-SJLPKXTDSA-N 394.471 2.755 0 40 GFAB COC(=O)[C@H](Sc1nnc(-c2cccc(Br)c2)n1N)C(C)C 89791140 NKHMVNHRYWSXBK-LLVKDONJSA-N 385.287 2.711 0 40 GFAB Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)Cc3cccc(F)c3)C2)n1 90592204 HIKJVIFYCRJHDQ-INIZCTEOSA-N 381.411 2.517 0 40 GFAB COc1ncccc1C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 96001894 YIFZLCIMBLHTAP-OAHLLOKOSA-N 382.424 2.631 0 40 GFAB Cn1cc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)cn1 96053423 DKNOERAYLLUZQH-GOSISDBHSA-N 394.519 2.990 0 40 GFAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3c(C)nn(C(C)C)c3C)OCC(=O)N2C)cc1 96181425 MFBOJMIDGQQCFA-WOJBJXKFSA-N 384.480 2.926 0 40 GFAB Cc1ccc(CN2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)s1 96225904 KVLIBFKJJRVMBR-FQEVSTJZSA-N 384.505 2.831 0 40 GFAB CCc1ccc(/C=C2/N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)cc1 96814898 MTMKLLCENOGPIX-LDADJPATSA-N 384.457 2.844 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O 97994339 WNJIKIIITVXMBN-KPKJPENVSA-N 376.463 2.773 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 101265258 GECRJNLQEGVRKB-WBVHZDCISA-N 384.775 2.558 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1coc(-c2ccccc2)n1 102127583 HETWYDIQDJUYQT-IAGOWNOFSA-N 382.416 2.950 0 40 GFAB COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)c1 102682533 UNMMMMJFQWOLTJ-CEXWTWQISA-N 397.862 2.884 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)N2N=CC=C[C@H]32)c(C)c1 104126161 IPZGPHQTJJWIDX-TVFCKZIOSA-N 379.460 2.633 0 40 GFAB O=C1C[C@@H](Cc2ccc(NC(=O)N3CC[C@H](Cc4ccccc4)C3)cc2)C(=O)N1 175975444 BMHNSPNYLCUTLE-RTBURBONSA-N 391.471 2.988 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 216425867 RJSPTLNEMJIXGR-KBPBESRZSA-N 394.468 2.866 0 40 GFAB CCOc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222480997 DZYLMKOJDWRUKZ-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB O=C(c1nc2ccccc2s1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225790122 WDUOZAGXYISDAI-UHFFFAOYSA-N 379.489 2.928 0 40 GFAB CCN(CC(=O)N(C)c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 226055864 ZJVXZXGCAWIDNK-UHFFFAOYSA-N 394.468 2.816 0 40 GFAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)=O)O4 230121190 WRYWOZVGRJAOJE-YSGRDPCXSA-N 396.395 2.716 0 40 GFAB Cc1nc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)nn1-c1ccccc1 257237160 HFJZVSDKCROMAH-UGKGYDQZSA-N 392.459 2.620 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCCCN2CCCC2)[C@@H]1c1ccccc1Cl 257343459 ZTDBMTKPKCFNTO-APWZRJJASA-N 377.916 2.852 0 40 GFAB COc1ccc(CN2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)cc1 306138351 RVTHTVDMFQMYPG-UHFFFAOYSA-N 397.523 2.654 0 40 GFAB O=S(=O)(c1cccnc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830338 KHBYEZUIEBUTNZ-UHFFFAOYSA-N 388.415 2.930 0 40 GFAB COc1cccc(NC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)c1 408535112 XYGODTPBFUQZQS-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 408613205 VUVDHHUPFGYEHU-CQSZACIVSA-N 396.896 2.686 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 408630461 UXXYNEDQCVUZON-MRXNPFEDSA-N 390.505 2.726 0 40 GFAB CN1CCN(CC2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)CC1 548828205 YNMFKWSGSPTKOA-UHFFFAOYSA-N 394.519 2.974 0 40 GFAB Cn1cc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 567293879 XKNHLXKPJIVONX-HNNXBMFYSA-N 396.430 2.611 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)nn1-c1cccc(F)c1 574649539 SYFFZAZRHMFFMX-NVXWUHKLSA-N 398.442 3.095 0 40 GFAB O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 585094641 CVGWCLBHABSOKR-IBGZPJMESA-N 377.448 2.620 0 40 GFAB O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CCO[C@@H](C(F)F)CC1 634164002 IMMXLLSNAIYMJQ-GFCCVEGCSA-N 393.312 2.800 0 40 GFAB CC1(C)CN(c2nccn3nnnc23)C[C@@H](c2cccc(C(F)(F)F)c2)O1 644944252 FDTXPGFBQUKECF-ZDUSSCGKSA-N 378.358 2.895 0 40 GFAB CC(C)OC1CC(NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 1615582265 HCPDERQBTKLNEO-CPCZMJQVSA-N 391.295 2.988 0 40 GFAB COc1cc2ncnc(N3CCC(COc4cnccn4)CC3)c2cc1OC 1889208393 ALSDVTAICWYRCA-UHFFFAOYSA-N 381.436 2.732 0 40 GFAB COc1ccccc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985288 DTZFKTYMLJDGPY-APWZRJJASA-N 380.444 2.589 0 40 GFAB Cn1c(=O)c2c(-c3cccc(F)c3)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O 780616 LAOOHNQKYSQYKU-LJQANCHMSA-N 389.386 2.500 0 40 GFAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccccc2c1=O 872654 WXJJHXPKHAIJNO-UHFFFAOYSA-N 397.456 2.934 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2S1(=O)=O 1623961 JBDCHLDQUYNEHW-HNNXBMFYSA-N 378.837 2.772 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303690 XINPLTKQOKCZLO-YTBGYOSVSA-N 383.828 2.675 0 40 GFAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 6966506 HAEZHOMTEIEUAX-UHFFFAOYSA-N 397.504 2.883 0 40 GFAB Nc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1 7534326 LIDKFKWEZXNPIR-UHFFFAOYSA-N 377.495 2.524 0 40 GFAB CN(CCCNC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 7689990 MBBIFKGGHDAPOH-UHFFFAOYSA-N 379.460 2.706 0 40 GFAB CCn1ccc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)n1 100687601 JETXJRVQIJXFNF-CALCHBBNSA-N 386.544 2.744 0 40 GFAB CCCCc1nnc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)s1 23364147 IOHACXRUGBKAHV-ACCUITESSA-N 394.522 2.800 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1 8412268 NRKBKDQXXWOVSI-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB COc1ccc(CN(C)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1 24148774 DMVLLLSARATALP-UHFFFAOYSA-N 385.464 2.766 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1 12408133 LRMGVICWTGZHCM-LBPRGKRZSA-N 397.431 2.951 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)c1cnn(Cc2ccccc2Cl)c1 9609453 DRVHQZBJSVVWHQ-OAHLLOKOSA-N 381.885 2.609 0 40 GFAB COc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c(Cl)cc1O 100765631 BYXFKNDXERTLFW-ZIAGYGMSSA-N 377.872 2.802 0 40 GFAB CC1CCN(C(=S)SCC(=O)OCC(=O)NCc2cccs2)CC1 26575139 YHMCJPIUCFSMJZ-UHFFFAOYSA-N 386.564 2.658 0 40 GFAB COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(-n4cccn4)nc3)C2)cc1 58227478 RIISTQFGJOMVQU-GOSISDBHSA-N 377.448 2.975 0 40 GFAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccccc2C)n1 27743084 DZEILFMQTSZGQF-UHFFFAOYSA-N 384.255 2.593 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CCC)C(=O)O)ccc12 2104191 FUZDNNDXMUGHAC-WBMJQRKESA-N 375.421 2.882 0 40 GFAB biogenic Cc1ccccc1[C@@H](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)NC(N)=O 27843555 DHZYYBCOVSDWRK-YLJYHZDGSA-N 380.492 2.737 0 40 GFAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccco2)cc1 2225009 KIZHNYCOEGVSPP-INIZCTEOSA-N 387.461 2.635 0 40 GFAB CCOC(=O)/C=C1\C[C@@H]2[C@H]3C4C5[C@H]([C@@H]13)[C@@H]1O[C@@H]1[C@H]5[C@H]1/C(=C/C(=O)OCC)C[C@H]2[C@@H]41 104293327 PQZHGKNYSHTADS-FHXLCYEZSA-N 396.483 2.757 0 40 GFAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 2436266 ZOZNHPUOQPVUBT-IAGOWNOFSA-N 391.489 2.880 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 59918799 YJQYDJJGYORJCW-UHFFFAOYSA-N 380.853 2.746 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3cccnc3)o2)cc1 3386691 PPBRGAPQJYEGEJ-UHFFFAOYSA-N 397.460 2.629 0 40 GFAB CCOCCOCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 48332754 HQDPSIWHPIYTOV-UHFFFAOYSA-N 392.477 2.503 0 40 GFAB CC(C)CN(C(=O)c1cc2ccccc2o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3408075 SLLQUQXXPIAMEB-UHFFFAOYSA-N 398.463 2.824 0 40 GFAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N 3534979 ZMSMPNZCYYBLNH-SNVBAGLBSA-N 385.440 2.513 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 13570736 NZMQNBSUXOEYMK-UHFFFAOYSA-N 397.862 2.629 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2oc1=O 6237789 URSMONNLWDXIJZ-UHFFFAOYSA-N 398.440 2.830 0 40 GFAB O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)c1ccccc1 13964081 WIMJPMWQHXKEDC-UHFFFAOYSA-N 377.425 2.551 0 40 GFAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(Cl)ccc1Cl 65568438 RGQZTLRHVSIPKE-LBPRGKRZSA-N 397.349 2.924 0 40 GFAB COc1ccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c(OC)c1 5350848 GGBIGDHXKYLBQW-UHFFFAOYSA-N 391.427 2.712 0 40 GFAB CC(C)OCCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14185302 VCANHNSMTKUPSJ-UHFFFAOYSA-N 377.510 2.727 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 14241268 QSYBUJHUSGOFJI-MRXNPFEDSA-N 377.448 2.573 0 40 GFAB O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1ccc2c(c1)OCO2 4673004 XDVPTOVLAWEXJD-UHFFFAOYSA-N 384.476 2.897 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 4996815 INTNSMUBVZAGAL-UHFFFAOYSA-N 391.489 2.537 0 40 GFAB COCCN(C(=O)CN1CCc2sccc2C1)c1ccc(OC)c(OC)c1 83902781 VZCBQRJPNPNOPR-UHFFFAOYSA-N 390.505 2.803 0 40 GFAB CC(C)(Oc1ccc(F)cc1)C(=O)OCC(=O)c1ccc(S(C)(=O)=O)cc1 7973870 WDVSHSHABGVWJW-UHFFFAOYSA-N 394.420 2.813 0 40 GFAB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1CCc1ccccc1 7983465 QSSJRZWOTXQGCK-UHFFFAOYSA-N 378.432 2.760 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 16681198 WDWKZBOHHRWCEK-IBGZPJMESA-N 386.839 2.617 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)COc1ccc(C2SCCCS2)cc1 18149563 YNDFDDMQAPLRHR-CYBMUJFWSA-N 382.551 2.965 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccccc1)CC2 8764721 CTRZLLMNFVRWPV-UHFFFAOYSA-N 383.448 2.800 0 40 GFAB biogenic COc1ccccc1N1CCN(C[C@H](O)COC[C@H](C)c2ccccc2)CC1 22608963 KIFPRKKBHVXVKI-FPOVZHCZSA-N 384.520 2.998 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC(=O)N4)C2)n[nH]1 95966374 KAYXSZGHNCYAJN-MRXNPFEDSA-N 397.479 2.563 0 40 GFAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc4c(n3)CCCC4)cc21 89319374 IIYBVWACURNDNB-UHFFFAOYSA-N 380.448 2.682 0 40 GFAB Cc1nonc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 89556409 UJXNKOYVVJBZHV-UHFFFAOYSA-N 377.448 2.953 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957959 IDHJBSJYXFTLTG-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)n2ncnc2N1CCC(C)C 20674199 MIUAVSPZKVVEDJ-HXUWFJFHSA-N 395.507 2.866 0 40 GFAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 216464887 QMSRZCBCJFPGDH-UHFFFAOYSA-N 398.488 2.507 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 219012351 NFKCSZLRUKUFFH-QGZVFWFLSA-N 390.505 2.508 0 40 GFAB Cc1nc2ccccn2c1CN1C[C@H]2N(C)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 72395826 ZLTULSGIQZDSNY-XXBNENTESA-N 388.471 2.802 0 40 GFAB COc1ccc(C2=NN(C(=O)c3ccc(O)cc3)[C@@](O)(C(F)(F)F)C2)cc1 32100925 YKUANONBBGSORL-KRWDZBQOSA-N 380.322 2.902 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(O)=Nc2nnc(-c3cccs3)n21 72402981 CEOLJEDLGXWBMH-GFCCVEGCSA-N 397.416 2.965 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3S(C)(=O)=O)CC2=O)c(F)c1 40073946 LKRVHULDFKJNKW-CYBMUJFWSA-N 390.436 2.529 0 40 GFAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225679688 YFLBRXYQSODQQR-CYBMUJFWSA-N 376.503 2.900 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)N2CCN(Cc3cccnc3)CC2)cc1 45182077 AANLSGPKEPTXJV-UHFFFAOYSA-N 395.551 2.951 0 40 GFAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 224903404 AJMNEGNDSCNCMP-UHFFFAOYSA-N 390.461 2.955 0 40 GFAB CSc1ncccc1C(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 225733318 JKWUWQJSVNOQTA-UHFFFAOYSA-N 397.426 2.883 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1C 77099746 SAGDKCFOAQZIHF-UHFFFAOYSA-N 383.448 2.504 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 96224983 MUMOWAILCBYFSY-HXUWFJFHSA-N 382.395 2.611 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 98212474 JSNCTMPYZZLIKS-DLBZAZTESA-N 397.822 2.580 0 40 GFAB CCOC[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242614938 PMPUVYPRDGMXCM-ZCNNSNEGSA-N 375.490 2.677 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2ccco2)Oc2ccccc21 247475343 GXWPVYLBYOLOKN-ORENWSFKSA-N 380.444 2.893 0 40 GFAB O=C(c1cc(N2CCOCC2)ccn1)N1CCC(Oc2ccccc2F)CC1 633932808 LPECGJXWAJIOAR-UHFFFAOYSA-N 385.439 2.741 0 40 GFAB CCNCc1ccn(Cc2cn([C@@H](CC3CCCCC3)c3ncccn3)nn2)n1 656441112 SWGRHIGIWTWSFP-FQEVSTJZSA-N 394.527 2.982 0 40 GFAB C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC 59721436 QBHALCZZZWCCLV-XIPRXZKPSA-N 394.471 2.787 0 40 GFAB CCn1ncc(C(=O)N2CCC[C@@H](c3ncncc3-c3cc(C)no3)C2)c1C 12118451 YZJLSPGXMKIFOJ-OAHLLOKOSA-N 380.452 2.985 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C 14244772 UZJMFSWULNQADS-AWEZNQCLSA-N 399.310 2.774 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 15674591 QTNWADAYSPTZQI-UHFFFAOYSA-N 388.474 2.924 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)cc(C)c2)cc1OC 16269190 DJMHLCGHPNPVKJ-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CN(C)Cc1cc(-c2ccc(CNC(=O)c3n[nH]c4c3CCCC4)cc2)nn1C 19288883 GWHJHHGQUISWLL-UHFFFAOYSA-N 392.507 2.681 0 40 GFAB O=C(N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1)C1(c2cccc(F)c2)CC1 19293617 OENXCZNGJUZRNM-SFHVURJKSA-N 396.466 2.505 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccn(C)n3)cc2N1 19574800 CWTLXPLGQCHNRW-DDTOSNHZSA-N 382.390 2.901 0 40 GFAB O=C(NCC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21)C1CCCC1 19746241 IYAXRNKYRRHZNK-QGZVFWFLSA-N 383.496 2.509 0 40 GFAB CN(CC1CCCC1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 539234282 YINGVACSCSCZIX-UHFFFAOYSA-N 379.931 2.695 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccccn2)CC1 6609706 IPJVSQYAFWGHBE-CQSZACIVSA-N 389.297 2.993 0 40 GFAB Cn1ncc2c(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)ncnc21 1888882206 HWEYEMUHCCLDJE-UHFFFAOYSA-N 392.511 2.655 0 40 GFAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 32671819 NQLACIIQYJQNBR-JTQLQIEISA-N 382.463 2.560 0 40 GFAB O=C(NC1CCC1)C1=NOC2(CCN(C(=O)CCc3ccccc3F)CC2)C1 1565556131 NVLNBBYOJNWHPK-UHFFFAOYSA-N 387.455 2.565 0 40 GFAB COc1ccc(Cl)c(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c1 1565551872 WUWOCBMYPVOCCX-UHFFFAOYSA-N 393.896 2.748 0 40 GFAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 5223251 LWZSXLNLBCLJGB-SNVBAGLBSA-N 392.502 2.628 0 40 GFAB COc1cc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc(OC)c1 13702001 DXILMUNPVQGEEW-UHFFFAOYSA-N 388.449 2.573 0 40 GFAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc1 1775971751 UIZZMCSPCLUWIH-CYBMUJFWSA-N 383.420 2.543 0 40 GFAB O=C(Cn1nc2c(c1NC(=O)c1ccco1)CSC2)NCCc1ccccc1 23139670 OMOSAACWCMJRGW-UHFFFAOYSA-N 396.472 2.834 0 40 GFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 40113192 DOUISUZXZPCCPF-BEFAXECRSA-N 394.537 2.700 0 40 GFAB CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)n1 40159768 VBECEWOEFVKSFQ-CYBMUJFWSA-N 387.461 2.928 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 31810994 WOLUASGIHLJFKF-GFCCVEGCSA-N 379.811 2.975 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(CCc2ccncc2)CC1 20677999 NIPMJAFWZFWFSL-HXUWFJFHSA-N 382.439 2.688 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 32453865 XITDAWLTIGGOQL-UHFFFAOYSA-N 382.416 2.592 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)NCCc1ccc3c(c1)OCCO3)CC2 32843787 TZEGDUSZUUVLAB-UHFFFAOYSA-N 398.459 2.785 0 40 GFAB CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2094534 CTDJCYDSJKIMLD-LRDDRELGSA-N 375.421 2.882 0 40 GFAB biogenic CCCCCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 2601896 QLQUBOMMPPLXSX-UHFFFAOYSA-N 396.285 2.539 0 40 GFAB CCNC(=O)NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3513723 WXEMMFUFEWXJAB-UHFFFAOYSA-N 383.429 2.966 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)c2ccccc2c1=O 4325947 RZLUXHPSFIPLTL-GFCCVEGCSA-N 383.379 2.740 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(I)c1)[C@H]1C=C[C@@H]2C12CC2 4664361 GVCLEJYIORRMRZ-CRWXNKLISA-N 391.208 2.993 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccccc2)CC1 4992957 HCENFOHDJWOEIT-UHFFFAOYSA-N 386.517 2.954 0 40 GFAB Cc1cc(C)n2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nc2n1 5168191 VNKWUBHWDPCANC-GFCCVEGCSA-N 396.476 2.597 0 40 GFAB CCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5706802 GAXCZUJCTFFZLL-RTBURBONSA-N 398.459 2.894 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1C 6281282 WTNOMBRMINVZLP-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB O=C(Nc1nonc1-c1ccccc1)c1nn(-c2ccc(F)cc2)ccc1=O 6756458 MSXWJPUPCLUEDM-UHFFFAOYSA-N 377.335 2.674 0 40 GFAB COCCNC(=O)COc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O 7995021 PYWJYHYXFPSPLM-UHFFFAOYSA-N 383.400 2.610 0 40 GFAB O=C(CSc1nnnn1Cc1ccccc1)c1ccc(N2CCCC2=O)cc1 8325326 YDVPPNWGRCTDFY-UHFFFAOYSA-N 393.472 2.823 0 40 GFAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(C2CCCCC2)c1=O 9109812 ZBLJAWYRFUBQCP-IBGZPJMESA-N 394.475 2.806 0 40 GFAB biogenic Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCCC[C@@H]2C(N)=O)c1 9112493 NUBZWWBOGFKCAJ-LJQANCHMSA-N 394.475 2.526 0 40 GFAB COC(=O)CSc1nc2nc(C)c(Cc3ccc(Cl)cc3)c(O)n2n1 9418833 ZOIIBGOMKWHGQZ-UHFFFAOYSA-N 378.841 2.648 0 40 GFAB C[C@@H](OC(=O)CCNC(=O)Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1 9622633 SGJKKDLLNPIHQZ-CYBMUJFWSA-N 380.404 2.739 0 40 GFAB COc1ccc(OC)c([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)c1 11694824 GVYXQJVKXAKNHC-UPRAQXHNSA-N 393.447 2.954 0 40 GFAB c1csc(-c2nc(NC[C@@H]3COCCO3)ncc2-c2ccc3c(c2)OCO3)n1 12186441 NRUFNDQJJPISEN-CYBMUJFWSA-N 398.444 2.823 0 40 GFAB CCn1ncc(Cl)c1C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 12276772 SDAYWMAXSZYRJS-UHFFFAOYSA-N 395.854 2.634 0 40 GFAB COc1ccc(OCCN2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 12700055 UXGQLPXJZZCQBY-SQGPQFPESA-N 389.565 2.755 0 40 GFAB CC[C@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)Nc1ccc(F)cc1 12733196 KICJQKRTIBALQJ-AWEZNQCLSA-N 391.472 2.679 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)OCc1nc(-c2ccsc2)no1 12819491 GMMUVMNWJLXZNW-UHFFFAOYSA-N 385.401 2.657 0 40 GFAB CCCCCNS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13586015 PWIIPCPWQXWYEX-UHFFFAOYSA-N 384.523 2.810 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 13668666 XTEXCKRCPSUJGV-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccccc1)S(C)(=O)=O 13711701 DNTPNTBRTJSCCE-SFHVURJKSA-N 389.477 2.828 0 40 GFAB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCCO4)c2C(N)=O)C1 14115539 NFHNTBPNHLDXKY-LLVKDONJSA-N 386.473 2.924 0 40 GFAB Cc1cc(NC(=O)[C@@H](Oc2ccc(-n3cnnn3)cc2)c2ccccc2)no1 14197874 GVJHQJWKWUXUTC-SFHVURJKSA-N 376.376 2.718 0 40 GFAB Cc1cccc(C)c1NC(=S)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 16314361 TYIVLUGKCARJDZ-HOTGVXAUSA-N 382.551 2.668 0 40 GFAB CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(C)cc3)cc2C1 17316601 UWDSIMVPOLOEPW-UHFFFAOYSA-N 388.489 2.720 0 40 GFAB C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C)N1CCCC1=O 19079553 ZILLYOVZSCCCKW-KHHDVDEJSA-N 383.536 2.866 0 40 GFAB Cc1ccccc1C1=NO[C@@H](CC2(C(=O)N3CCC(O)CC3)CCOCC2)C1 19236945 SQNQPIVKDUQKKD-GOSISDBHSA-N 386.492 2.658 0 40 GFAB Cn1c([C@H]2CCCN2Cc2ccnc(N3CCOCC3)n2)nc2ccccc21 19289905 CCJONEMNJPGAPT-LJQANCHMSA-N 378.480 2.537 0 40 GFAB CCOc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 19533596 NGFSBRDTKUOEIG-FOIQADDNSA-N 396.491 2.652 0 40 GFAB COc1ccc(CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)cc1 19554838 GCKGNDQGALRPMH-OAQYLSRUSA-N 398.507 2.503 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)c1 19564217 IWYPADDUUNHCKI-INIZCTEOSA-N 390.443 2.808 0 40 GFAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CCOC)C1 19591084 UOVLYKPUUVQTRI-HSZRJFAPSA-N 395.503 2.682 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@H](c2ccc(-c3cnn(C)c3)cn2)C1 19693797 IXTISJIAOFFMFU-FQEVSTJZSA-N 378.480 2.517 0 40 GFAB COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 19719754 CISDBPZIUGVCJL-SFHVURJKSA-N 386.473 2.740 0 40 GFAB Cn1cc(C(=O)N2CCC3(CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cn1 19742687 HGKWRUVPVFTCQX-UHFFFAOYSA-N 396.466 2.770 0 40 GFAB Cc1noc(CCC(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)n1 19748562 CTYOTIBBADAALI-OAHLLOKOSA-N 384.480 2.817 0 40 GFAB CCCN1CCN([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441780 IQXJVRJAURXOOR-MOPGFXCFSA-N 399.988 2.957 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 20568085 IHZAWADLOOBHMY-UHFFFAOYSA-N 385.848 2.731 0 40 GFAB COc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)c1 22534340 HIVRBYVVADHMLJ-AWEZNQCLSA-N 391.493 2.801 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)CC1 22579539 CQABVHMYWYQMTD-IBGZPJMESA-N 377.410 2.822 0 40 GFAB COc1ccccc1NC(=O)Cc1noc(COC(=O)Cc2ccsc2)n1 22658527 DARSVANAZPHKJE-UHFFFAOYSA-N 387.417 2.607 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1F 22805671 SISPXAFBPFVTLU-UHFFFAOYSA-N 383.467 2.825 0 40 GFAB Cc1cc(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)nn1-c1ccccc1C(F)(F)F 22836069 CYWGLKUGOJCWQS-BETUJISGSA-N 395.381 2.809 0 40 GFAB CC(C)(C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908310 KEITYDJLOLCNTO-KRWDZBQOSA-N 385.533 2.878 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2cccs2)N2CCOCC2)cc1 23181809 OESLHSHWMJLNRQ-CRAIPNDOSA-N 380.535 2.797 0 40 GFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 23763591 IHUQXRBUWLWCNS-OAQYLSRUSA-N 393.487 2.617 0 40 GFAB Cc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)cc1F 24284500 FFFAKFVINALPRO-MRXNPFEDSA-N 384.498 2.815 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCCCOc1ccc(Cl)cc1 24415714 DTSWZOZHRWQKRV-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610479 PAABDIRCDRUJGK-UHFFFAOYSA-N 396.896 2.791 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c(OC)c1 32800658 ZDKLPWNPFYZOKU-UHFFFAOYSA-N 390.386 2.580 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 35144945 NMGOVUSWQPVCMX-WCIQWLHISA-N 390.439 2.530 0 40 GFAB Cc1c(O)ccc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)oc12 36585069 WAODNQLSDGFDDI-ZBFHGGJFSA-N 378.428 2.588 0 40 GFAB biogenic CSc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 38852587 XMSZXXDZVHJRLZ-KRWDZBQOSA-N 392.502 2.883 0 40 GFAB CCCCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 39976689 ZAIMFQIOIQLBSP-MNDMWVCDSA-N 381.494 2.533 0 40 GFAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3OC(F)F)cn2)CCO1 40112407 DIIZYNNUCAXVOP-CYBMUJFWSA-N 377.391 2.838 0 40 GFAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(-n2cncn2)cc1 40122094 UFVOKASUHAATIR-UHFFFAOYSA-N 376.464 2.973 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 44672884 HBVFTHGVLZUPNH-QGZVFWFLSA-N 375.446 2.900 0 40 GFAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N(Cc1nccn1C(F)F)C1CC1 47120249 QMAKDEUPVASYLU-UHFFFAOYSA-N 399.401 2.688 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 48264095 FEDUUUKRQWVIOT-MRXNPFEDSA-N 394.475 2.742 0 40 GFAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccnn1Cc1cccc(Cl)c1 48325103 CPMRZWFUTDXMTC-UHFFFAOYSA-N 393.838 2.877 0 40 GFAB O=C(NC[C@@H](O)COc1ccccc1)c1cnn2c(-c3ccccc3)ccnc12 48355173 JTEZDDKQDNSKTR-QGZVFWFLSA-N 388.427 2.566 0 40 GFAB NC(=O)[C@@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCO1 50859071 WOGBNYDGEAXCFQ-INIZCTEOSA-N 378.350 2.699 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2cccc(F)c2)n1 56851624 AHMNPUHGOIZFGI-UHFFFAOYSA-N 395.442 2.715 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492061 VZHRJRDNFIDXJA-UHFFFAOYSA-N 385.489 2.699 0 40 GFAB Cc1noc(C2CCN(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 61795599 XFQJOOWIUVVTMK-KRWDZBQOSA-N 375.448 2.709 0 40 GFAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)o1 69334089 CSLRCKASRMJZHF-QGZVFWFLSA-N 376.416 2.720 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70762656 ATJCZTNOVYZSKO-HNNXBMFYSA-N 377.359 2.863 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1C 70762725 CBIUKYWSFQWECM-MRXNPFEDSA-N 389.395 2.732 0 40 GFAB COc1ccccc1CCNC(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1 70812068 RFPGRZNCZMBMJU-UHFFFAOYSA-N 377.444 2.607 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1C 72040521 OPDAZPDSLJGPGC-UHFFFAOYSA-N 379.507 2.621 0 40 GFAB C[C@@H](Sc1ccccc1Cl)C(=O)NCC1(O)CCC2(CC1)OCCO2 72308028 YYEHMSURGDLKFF-CYBMUJFWSA-N 385.913 2.985 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCCCC1)NC2=O 72339143 AHJAKLFIJVEYSA-CZFFTMAUSA-N 384.476 2.962 0 40 GFAB CCC(CC)[C@H](O)CN[C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013626 YNNAZNGYQSVJDW-AHRSYUTCSA-N 378.513 2.799 0 40 GFAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1C 96237732 DMWUBIFRWCAZBA-HSZRJFAPSA-N 377.488 2.867 0 40 GFAB CC[C@](CNC(=O)CCS(=O)(=O)c1ccccc1)(OC)c1ccccc1 96391756 UEXILJWVFIYPLU-HXUWFJFHSA-N 375.490 2.919 0 40 GFAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N[C@H](C)c1ccccc1 223051881 LAGPZLNJWSZHCY-OAHLLOKOSA-N 388.489 2.692 0 40 GFAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223167561 FCCXBLSRWNGKAX-MOPGFXCFSA-N 386.521 2.678 0 40 GFAB C[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223169701 BGGMUKVFHVQALO-AWEZNQCLSA-N 390.480 2.958 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 224169092 USSFLBGSIOIAQV-KRWDZBQOSA-N 392.452 2.560 0 40 GFAB CCCNC(=O)c1ccc(OC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224754605 JKMGBOJCKYHWLT-UHFFFAOYSA-N 394.468 2.940 0 40 GFAB COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224897636 CGNQPVVANNFRFU-UHFFFAOYSA-N 376.434 2.565 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccccc1C 225415813 CDAHYAHYATYTHR-UHFFFAOYSA-N 390.505 2.503 0 40 GFAB COc1ccc(NC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)cc1Cl 225882147 RJJNNKXLUJCYJM-UHFFFAOYSA-N 389.886 2.762 0 40 GFAB NC(=O)CNC(=O)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 257312511 UOHYKYIXEIXTJY-UHFFFAOYSA-N 388.414 2.573 0 40 GFAB COCCOCC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257338063 YVQJKGHVMVAMDW-MKQKURRLSA-N 386.536 2.734 0 40 GFAB O=C(c1cscn1)N1CC[C@@]2(C1)OCc1cnc(NCc3ccccc3)nc12 306144747 ZNPOGFJEAVMUAU-FQEVSTJZSA-N 393.472 2.817 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 408602838 JJULDXFDGIWBRO-AWEZNQCLSA-N 392.477 2.788 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)C1CCCCC1 408636232 MGLOQUVWLREIAU-UHFFFAOYSA-N 394.537 2.949 0 40 GFAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 565063872 IJAAXVPUXYIXBQ-QFIPXVFZSA-N 375.476 2.970 0 40 GFAB O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CCc2sc(Cl)cc21 574656427 RFICWRQGTNLYLG-AWEZNQCLSA-N 399.944 2.569 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccco1)n1nc(C)cc1C 575613656 JNECSZRVAOTFBO-QGZVFWFLSA-N 396.447 2.754 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2cnn(C)c2)nc1 575617180 SZHDLMJRRSSZAB-UHFFFAOYSA-N 376.869 2.922 0 40 GFAB CN1CCC(N2CC[C@H](N(C)C(=O)c3ccc4nc(C(F)F)[nH]c4c3)C2)CC1 601479002 RGSSOBMYNHEZAC-HNNXBMFYSA-N 391.466 2.741 0 40 GFAB CCn1c(O)nc2cc(C(=O)N(C)Cc3cn(C)nc3C(F)(F)F)ccc21 612798131 UHRDZUIMPZKEAE-UHFFFAOYSA-N 381.358 2.786 0 40 GFAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2[C@@H]2CCN(CC(=O)O)C2=O)c1 662212403 WRWOOBVVJPHHBF-KCZVDYSFSA-N 394.471 2.911 0 40 GFAB O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1cnc2c(c1)COCC2 683709018 KIPNJVJIPLSIKW-UHFFFAOYSA-N 388.367 2.995 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC[C@H](c3cccs3)C2)cc1 828251621 VFEWOXPEZDMPSQ-ZDUSSCGKSA-N 390.486 2.580 0 40 GFAB Cc1cccc2c1CCN(S(=O)(=O)c1cnc(C3CC3)s1)[C@H]2C(=O)O 1548449265 BFPCUWIVZRQGIW-OAHLLOKOSA-N 378.475 2.702 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565541751 XFLGAVRLXYTODD-WIYYLYMNSA-N 384.501 2.994 0 40 GFAB Cc1ncnc(OC[C@@]23CCC[C@@H]2CN(c2ccc4nnc(C)n4n2)C3)c1C 1888906491 RICTYMDCQNOPRB-UZLBHIALSA-N 379.468 2.525 0 40 GFAB CCN=c1nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cc(C)[nH]1 1889133847 FHVSTGSOERIOFP-UHFFFAOYSA-N 384.381 2.518 0 40 GFAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4ncnc5[nH]cnc45)C3)ccc2n1 2087065692 PTZYATUUDPMDBT-ZDUSSCGKSA-N 392.467 2.598 0 40 GFAB Cc1nc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c2ccncc2n1 2298048271 AIFLGGHASPFMGM-AWEZNQCLSA-N 375.423 2.807 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)cc1C 2637476 QSGBFYSTRJNUND-UHFFFAOYSA-N 388.518 2.819 0 40 GFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCc2ccccc21 2629024 GDYMYAZVUBGGNO-INIZCTEOSA-N 399.516 2.861 0 40 GFAB COc1cc(-c2cc(C(F)(F)F)n3ncc(C(N)=O)c3n2)cc(OC)c1OC 862888 MLLZSNZLFWHWRZ-UHFFFAOYSA-N 396.325 2.540 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 103337340 BGUKJTTZTWXSBK-ZWKOTPCHSA-N 392.908 2.970 0 40 GFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccccc3C)ccc12 2712370 MGPUCBQRFSLSOA-UHFFFAOYSA-N 380.400 2.500 0 40 GFAB CCN(CC(=O)Nc1ccc(F)cc1F)CC(=O)Nc1ccccc1OC 3346819 JHHPYXOEEILNBF-UHFFFAOYSA-N 377.391 2.873 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 22304685 PXCPNOHQFSRZSO-TXEJJXNPSA-N 378.498 2.928 0 40 GFAB COc1cc(C(=O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 6403587 JIDNYUKRPUJZAL-KRWDZBQOSA-N 392.404 2.655 0 40 GFAB O=C([C@@H]1CCCCN1C(=O)c1ccc(OCC(F)(F)F)nc1)N1CCCC1 72276942 JSUQGKUNZPNNPZ-AWEZNQCLSA-N 385.386 2.640 0 40 GFAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N[C@@H](C)CC(C)(C)OC 72297559 RUENAOMMTVIQGW-GOEBONIOSA-N 396.553 2.867 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 8343188 BLOIYAKGHXDXOX-JTSKRJEESA-N 386.492 2.695 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C 104873015 ZZFGPSUZTGCBPF-VUHPKUFZSA-N 386.492 2.517 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 102798036 TZIBGXHRZRKRQL-ATJXCDBQSA-N 392.488 2.631 0 40 GFAB CN(Cc1nc2ccccc2s1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 23851240 DMKBYBATKGNMES-UHFFFAOYSA-N 395.440 2.686 0 40 GFAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)c1 42792416 FEXKGDVCGOZCFU-UHFFFAOYSA-N 376.312 2.522 0 40 GFAB CCN(Cc1ccc(Cl)s1)C(=O)CCn1nnc2ccccc2c1=O 58381275 XGJJBPLUQVTYCI-UHFFFAOYSA-N 376.869 2.945 0 40 GFAB COc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccc4C)CC3)CC2=O)c1 24843173 ZSJJYIXAGUDYLK-GOSISDBHSA-N 393.487 2.705 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 34857531 BRAMTXURKGICPV-PBHICJAKSA-N 390.480 2.765 0 40 GFAB CC(C)N(CCN(C(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1)C(C)C 12569115 STCGHBAVVZZCDW-SFHVURJKSA-N 381.542 2.826 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)CC1 27973991 HBPZLJXUFKEKMY-CYBMUJFWSA-N 382.386 2.820 0 40 GFAB COc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(OC)c1OC 3247510 WJBZJRQLNAUXHJ-CYBMUJFWSA-N 385.416 2.847 0 40 GFAB CN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1 3238156 KHOZSGDSNJSHJF-UHFFFAOYSA-N 394.518 2.965 0 40 GFAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 10037679 FFKXWIFHPVPWPJ-UHFFFAOYSA-N 385.439 2.620 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492109 WKZNYTXIIFRPGP-AWEZNQCLSA-N 385.489 2.745 0 40 GFAB CC(C)OCc1ccccc1CNC(=O)CNC(=O)c1cc(F)cc(F)c1 58181046 NVSCEEISKDTILY-UHFFFAOYSA-N 376.403 2.936 0 40 GFAB O=C(CCc1nc(-c2cccnc2)no1)NCc1ccc(OCC2CC2)nc1 58195615 GKEZNNPAVVYLLV-UHFFFAOYSA-N 379.420 2.564 0 40 GFAB Cn1nnc2c1CCN(C(=O)CCCCc1ccc(Br)cc1)C2 72311370 WYQJYOFHEGBHEW-UHFFFAOYSA-N 377.286 2.875 0 40 GFAB CCOc1cc(C(=O)NC2CCN(C(C)=O)CC2)ccc1OCc1cccnc1 23110370 IQQSGHRSKQJXBZ-UHFFFAOYSA-N 397.475 2.800 0 40 GFAB Cc1nnc2ccc(SCC(=O)Nc3ccc(Br)cc3)nn12 44903164 LHWJIMMTTKIEFT-UHFFFAOYSA-N 378.255 2.926 0 40 GFAB O=C(NCc1ccnc(N2CCCCC2)c1)[C@@H]1CCCCN1C(=O)c1ccco1 58414922 BKQKNNKOJWMNAY-SFHVURJKSA-N 396.491 2.976 0 40 GFAB COc1ccc(-c2nnc(S)n2CC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 58438868 YBRCWKCUJUTSRQ-HNNXBMFYSA-N 398.492 2.719 0 40 GFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(c3ccccc3)CC2)c2ccccc21 36360964 XACDJJJZONNMEW-OAQYLSRUSA-N 393.443 2.674 0 40 GFAB Cc1nc(-c2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)cs1 28432202 NTGGEAIGXIQLMM-UHFFFAOYSA-N 379.489 2.800 0 40 GFAB NC(=O)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 2461089 INUIZDIUNODVLY-UHFFFAOYSA-N 398.849 2.998 0 40 GFAB Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Cl)cc2Cl)cc1 409124777 LONMFSOJNJJWSD-UHFFFAOYSA-N 387.288 2.897 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(Cl)c1 408552731 NIQCQXGECBZIHL-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB Cc1csc(Sc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)n1 60036669 MJNUMZJFMGSKSW-GFCCVEGCSA-N 383.520 2.911 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C[C@@H](C)O1 12918926 LAUTXOHBLBGJLT-GASCZTMLSA-N 386.521 2.932 0 40 GFAB C[C@@H](NC(=O)C[C@@](C)(C(=O)O)c1ccccc1)c1ccc(-n2cncn2)cc1 13468247 FBCCBTGBPOTPSX-QVKFZJNVSA-N 378.432 2.877 0 40 GFAB C[C@@H]1CCCN(C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)C1 19424590 WOGLTDCXCMPARD-CQSZACIVSA-N 379.507 2.597 0 40 GFAB Cc1cccc(OCCCNC(=O)CNC(=O)c2ccc(Br)o2)c1 14015296 DUEKBSDZGZFBMY-UHFFFAOYSA-N 395.253 2.666 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCc2sccc2[C@@H]1c1ccccc1 65547798 KNEODMVBFGFIOY-YOEHRIQHSA-N 376.503 2.592 0 40 GFAB CCCCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 14251553 AXEQBTKVWAVPMX-UHFFFAOYSA-N 388.917 2.717 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1nnc2ccccn12 5483247 WUUXNVMDMJAKAC-LBPRGKRZSA-N 397.913 2.550 0 40 GFAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCNC(=O)c1ccccc1)CC2 5451801 BAZKKBGCQYCOKY-HNNXBMFYSA-N 382.460 2.970 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccccc1 5681092 JFOXJCWBTGJMRY-XCLFUZPHSA-N 383.473 2.709 0 40 GFAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1Cl 4986953 KBHJZGQQTVXZBX-MRXNPFEDSA-N 382.844 2.945 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)CCN(C)Cc2ccc3c(c2)OCCO3)c1 15304867 HAWCEVBGDMIFKC-UHFFFAOYSA-N 375.490 2.980 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CC[C@@H](C)C2 7603511 XONFQPMRIZBJRK-SECBINFHSA-N 380.495 2.899 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncnc2sccc12 7783883 KGIFVMBPFIKTPF-ZDUSSCGKSA-N 391.522 2.501 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCn1c(=O)oc2ccccc21 7843645 HJHGKGPUCBRGIS-UHFFFAOYSA-N 376.416 2.829 0 40 GFAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc2c(c1)OCCCO2 16736777 LKVHEJRTGYEHDP-UHFFFAOYSA-N 399.472 2.571 0 40 GFAB COc1ccccc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 18147942 OFIPGMLJHMHJIA-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB COc1cc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc(OC)c1 22462573 PKZDADYTUQPVHK-UHFFFAOYSA-N 390.524 2.788 0 40 GFAB COc1cc(Br)c(CNC(=O)c2cc(N(C)C)ccn2)cc1OC 95989742 JOSVRDWFAIAHOQ-UHFFFAOYSA-N 394.269 2.857 0 40 GFAB CC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 95982765 ZCJIZNZMPODYRN-OAHLLOKOSA-N 395.573 2.864 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1sc(C2CCCC2)nc1C 95992825 VMKCGOJHLFZABS-AWEZNQCLSA-N 395.525 2.543 0 40 GFAB CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(C)C1 20464112 AVGDIXLTTFRFKY-AAEUAGOBSA-N 399.373 2.700 0 40 GFAB biogenic,in-vitro Cc1nn(C)cc1C(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 95998412 DDAIZUCYMXEGLC-IBGZPJMESA-N 379.464 2.745 0 40 GFAB CCc1ccccc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209486 IKZFNTCAFHVZEG-SFHVURJKSA-N 386.473 2.876 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 28305728 FQWHMVXIRBCISW-QGZVFWFLSA-N 394.475 2.775 0 40 GFAB Cc1ccc(-n2cnnc2)c(C(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1 549207428 QDBSDNZODPBPDF-IRXDYDNUSA-N 376.464 2.860 0 40 GFAB COCCNC(=O)Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 38489918 KPBYUUGUHDJRGT-UHFFFAOYSA-N 375.856 2.967 0 40 GFAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 123303146 FJBWHVBUGYXMLX-UHFFFAOYSA-N 386.517 2.755 0 40 GFAB CN(CCCC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccccc1 219710396 ZRYWCGKHLSHGLI-UHFFFAOYSA-N 392.546 2.996 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816375 RTPKZGFIUIVNGG-UHFFFAOYSA-N 388.807 2.788 0 40 GFAB COC(=O)c1ccc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)cc1 85878506 ZKNLNZFMGWBQGM-UHFFFAOYSA-N 398.367 2.588 0 40 GFAB biogenic CN(c1ccccc1C(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 223862584 ITGSGSWEQIWCCY-UHFFFAOYSA-N 382.869 2.545 0 40 GFAB CCc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 220265970 BLMUZIURSIHSRA-INIZCTEOSA-N 386.517 2.988 0 40 GFAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CCOCC1 44845598 AYOGTCUDBAWUPD-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB O=C(N[C@H](CSCCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 40433985 VDIVFUTVJUGBOW-GOSISDBHSA-N 387.457 2.704 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c(C)c1 224087652 GASDHKCCHZSBMD-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB COc1cccc([C@H]2C[C@H](N(C)C(=O)Cn3nnc(-c4ccccc4)n3)C2)c1 574653383 VYRPMEMEXWXEAM-IYARVYRRSA-N 377.448 2.753 0 40 GFAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4cccc(C)n4)C3)C2=O)n1 96048819 HMENLMCVNSAEGU-JOCHJYFZSA-N 378.476 2.748 0 40 GFAB O=C(c1cccc2ncccc12)N1CCC[C@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075567 QVELOOZWONSYLM-MBSDFSHPSA-N 395.503 2.578 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(C)cc1 96520897 TYQYRQSPQLPSID-JTQLQIEISA-N 386.105 2.907 0 40 GFAB COc1ccccc1OCC(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257202654 AMTHSLIZIWPGHI-QRXQEZHUSA-N 386.492 2.855 0 40 GFAB CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)COC1CCCCC1 257336214 YNOTWEWSPUEKDE-NRFANRHFSA-N 376.541 2.661 0 40 GFAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 260588068 FRXQWJKXYAKWIC-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB O=C(N[C@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 653331852 XCFTXBNUFCBZJF-XDNAFOTISA-N 379.412 2.991 0 40 GFAB CC(C)O[C@]1(CS(=O)(=O)N2CCC[C@H]2Cc2cccc(F)c2)CCOC1 659891688 INQBJEDYJVSTBG-RBUKOAKNSA-N 385.501 2.747 0 40 GFAB O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 585101709 AOKZISPLNXBFRT-MAUKXSAKSA-N 383.414 2.960 0 40 GFAB Cc1c(C(=O)NCCOc2ccc3c(c2)CCC3)sc2ncn(C)c(=O)c12 56008946 RCHNSXGKSMCAST-UHFFFAOYSA-N 383.473 2.601 0 40 GFAB Cc1ccccc1OCC(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775995435 VTZDDMCDLSOHGL-UHFFFAOYSA-N 395.503 2.748 0 40 GFAB COc1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)cc1 1549162898 WVXOJUNAGDWRAC-NRFANRHFSA-N 393.487 2.586 0 40 GFAB CSc1nnc([C@H]2CCCN(CC(=O)Nc3ccc4c(c3)CCC4)C2)n1C 5001498 KPRMKXZLYFOCRL-INIZCTEOSA-N 385.537 2.844 0 40 GFAB COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2ccccc2C)n1C 5859958 QMDUWUHKGIKYPT-UHFFFAOYSA-N 396.472 2.848 0 40 GFAB CCN1C(=O)[C@@H](c2ccc(F)cc2)C2(CCN(C(=O)c3ccco3)CC2)C1=O 12115851 WGZNHFMGCXZUIW-QGZVFWFLSA-N 384.407 2.814 0 40 GFAB O=C1NC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)Nc2ccccc21 12117912 CTDPOCDQHZKBPR-UHFFFAOYSA-N 389.459 2.601 0 40 GFAB COc1ccc([C@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)c(OC)c1OC 16956967 GYMKDLWNFYXCLV-SNVBAGLBSA-N 391.449 2.652 0 40 GFAB COc1cccc([C@H]2NC(=S)N3[C@H](c4cccc(OC)c4)NC(=S)N23)c1 17004199 APZIPCVXHHIXIW-IYBDPMFKSA-N 386.502 2.696 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 19020880 KVNAQYYOTPNCNK-QAPCUYQASA-N 375.469 2.941 0 40 GFAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1O2 19588447 AWFJVZITKCWKFM-KUHUBIRLSA-N 388.855 2.698 0 40 GFAB O=C(O)c1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)cc1 101079553 KSJOGERPJOWGAE-AWEZNQCLSA-N 389.205 2.891 0 40 GFAB COc1cccc(CCC(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 370691089 SYVLJBCMDIQFIU-ZDUSSCGKSA-N 382.386 2.660 0 40 GFAB Cc1ccc(N2CC(N(C)C(=O)c3cc(Br)ccc3C)C2)nn1 1888864342 QEVJIRIJWBYAPY-UHFFFAOYSA-N 375.270 2.817 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(Cc4c(C)noc4C)CC3)cnc2c1 1849485302 CVVPGNXFHMKLTB-UHFFFAOYSA-N 382.464 2.922 0 40 GFAB O=C(NCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1cccs1 21236598 WUXPVBCEIGQWKB-UHFFFAOYSA-N 396.516 2.722 0 40 GFAB C[C@@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccccc1F 21642655 SRSCBLPPZOIHAW-OAHLLOKOSA-N 381.407 2.952 0 40 GFAB CC(=O)N1CCCC[C@@]2(CCCN2C)CN(C)C(=O)c2ccccc2OCC1 2037988606 AEFGEEHEZIXGSW-JOCHJYFZSA-N 387.524 2.634 0 40 GFAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2cc(C(F)(F)F)ncn2)cs1 1565541888 JNVHECQJLCQPSD-RYUDHWBXSA-N 383.399 2.640 0 40 GFAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)o2)c1 4313552 HSUBKVBSABLWJN-UHFFFAOYSA-N 383.360 2.777 0 40 GFAB CCOc1ccc(CC(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 9660905 HAMZEXUFOIBGNN-UHFFFAOYSA-N 395.434 2.807 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCCC2)cc1C 11846948 VROGDRLFTOQXND-LJQANCHMSA-N 391.537 2.848 0 40 GFAB CN1CCN(c2c(C(=O)c3ccccc3)cnc3cc4c(cc23)OCO4)CC1 21522503 VCNJFVQIGYQZOS-UHFFFAOYSA-N 375.428 2.946 0 40 GFAB COc1c2ccc(C(=O)N3CCC[C@H](COc4ncc(C)cn4)C3)cc2nn1C 1775970287 KOYILKWAHQFVRJ-HNNXBMFYSA-N 395.463 2.612 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cc1 575618408 BGXBJVHQKGCOFK-UHFFFAOYSA-N 396.472 2.786 0 40 GFAB Cc1ccnc(-n2cccc2CN2CCc3c(N)nc(N4CCCC4)nc3C2)c1 12142846 XZPOVIQCNKULBL-UHFFFAOYSA-N 389.507 2.711 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)c3ccccn3)c2N)cc1 19213128 UOQKQIOXFNGGQA-SFHVURJKSA-N 375.432 2.645 0 40 GFAB O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)NCC12CC3CC(CC(C3)C1)C2 12363181 UPJHXMNBDZQCOR-CONPEVPGSA-N 387.524 2.962 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1cc(C2CC2)nn1-c1ccccc1 40012917 RVMPXKCQPDBUKG-UHFFFAOYSA-N 376.464 2.998 0 40 GFAB c1ccc([C@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)nc1 20567800 WKBUDTOSABZKAJ-FQEVSTJZSA-N 396.458 2.570 0 40 GFAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 32799991 UOOXNZFIEZISDU-LBPRGKRZSA-N 388.445 2.842 0 40 GFAB CC(C)CN1CCO[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 32763585 AREDRZPJBZJMNT-IBGZPJMESA-N 387.549 2.749 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814422 WEYFKYGVNGAPJR-UHFFFAOYSA-N 391.836 2.639 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCCOc1ccccc1F 32810979 SRQSZHCNBZBWPA-UHFFFAOYSA-N 381.473 2.999 0 40 GFAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 32904058 LGFXVGQHDYSIDD-UHFFFAOYSA-N 397.306 2.872 0 40 GFAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4ccc(C)cc4n3)C(=O)[C@H]2C)cc1 32957683 IOFOHAGWWOWDEG-OAHLLOKOSA-N 376.416 2.669 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1 1274299 NGQPDYMWUYRQOL-UHFFFAOYSA-N 389.415 2.757 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2)C[S@@](=O)C3)cc1 2725003 KKZLFDYZIDYLKE-NDEPHWFRSA-N 397.456 2.904 0 40 GFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1 3268473 YLPZYQLDYVCOSH-UHFFFAOYSA-N 396.852 2.676 0 40 GFAB COC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 4281897 DQJCYEDLMBWMFG-WBVHZDCISA-N 397.818 2.556 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 4477301 DZJJEYFKIAGEPJ-FPJYJELGSA-N 395.503 2.929 0 40 GFAB COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 4554430 FKODQUGQSVQYAV-UHFFFAOYSA-N 380.441 2.554 0 40 GFAB COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 4731715 CYPNPJMIVYFYSF-GFCCVEGCSA-N 392.506 2.577 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)cc1 5347210 CFHCFLORYJPGOF-UHFFFAOYSA-N 387.457 2.798 0 40 GFAB O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 5465988 QTRYGBQNAUIZST-UHFFFAOYSA-N 396.509 2.647 0 40 GFAB COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(N)=O)cc1OC 5580419 NENVKJGHAWKSSW-UHFFFAOYSA-N 383.400 2.958 0 40 GFAB N=C1S/C(=C/c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)N1c1nonc1N 5728918 GOWLSAODTZBVFZ-OUDUAQFDSA-N 387.812 2.751 0 40 GFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 6108219 BOAAODSQUVXQKZ-QFIPXVFZSA-N 392.411 2.554 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 6199771 RGHZRXMAAGBOOI-SNVBAGLBSA-N 385.417 2.768 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)s1 6352410 FOOUKIQORRZFQJ-UHFFFAOYSA-N 394.927 2.761 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1C(=O)NC1CCCC1 6652055 SWPRAFDYNPCOIT-UHFFFAOYSA-N 390.443 2.777 0 40 GFAB CCCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 6751856 GIEFVYUDDOGXRD-UHFFFAOYSA-N 394.927 2.855 0 40 GFAB Cc1ccc(SCCNC(=O)Cn2cc(Br)ccc2=O)cc1 7016375 TVAKATDPTBRNPS-UHFFFAOYSA-N 381.295 2.828 0 40 GFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCCCC2)c(=O)[nH]c1=O 7799398 ZTCYKTBHWWMQDK-UHFFFAOYSA-N 388.468 2.625 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 7831233 XHKJPZWPAPQHQD-UHFFFAOYSA-N 392.459 2.659 0 40 GFAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(O)cc1O 7982044 YTLRTELBQSOXHH-UHFFFAOYSA-N 399.472 2.902 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N[C@H](CC(C)C)C(=O)O)c(C)c2oc1=O 8738690 PINOXGKCXRLIHW-OAHLLOKOSA-N 375.421 2.713 0 40 GFAB biogenic CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 8993899 IEANNQFYYAACMY-UHFFFAOYSA-N 392.242 2.655 0 40 GFAB COc1ccc(C(=O)NCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 9314621 LEMJMNVIHMKUOK-UHFFFAOYSA-N 380.366 2.803 0 40 GFAB Cn1cc(C(=O)N2CCc3ccccc3C2)c2nn(-c3ccccc3)c(=O)c-2c1 9661305 JJIMFTINMJBMFJ-UHFFFAOYSA-N 384.439 2.874 0 40 GFAB CSc1cccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 9875368 GTSQRUVVQLFILZ-UHFFFAOYSA-N 376.526 2.746 0 40 GFAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1cnccn1)c1ccccc1O2 12275037 NYVAKPFNRGVZCI-HRAATJIYSA-N 380.448 2.501 0 40 GFAB Cc1ccc(C2(O)CCN(CCNC(=O)c3cccc(N(C)C)c3)CC2)cc1 12291091 OGIWJWTZGRACNW-UHFFFAOYSA-N 381.520 2.774 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 12377929 DJGDSNJZNRODIA-XUJVJEKNSA-N 388.342 2.991 0 40 GFAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(N2CCOCC2)cc1 12596816 DOWOIDZVEQNKDX-UHFFFAOYSA-N 394.475 2.701 0 40 GFAB COc1ccc(C(=O)C2CCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 12773891 QIJNNFZQXJTHBI-HZPDHXFCSA-N 394.537 2.813 0 40 GFAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)cc1 12874892 DCWCUQPXBWSJSM-PGRDOPGGSA-N 382.460 2.846 0 40 GFAB COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)cc1 13944305 QJLGCFMMFIFXLX-LLVKDONJSA-N 384.417 2.913 0 40 GFAB COc1ccc(C(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)NC(C)C 15564256 IBOVOEYWXNTZGS-UHFFFAOYSA-N 384.404 2.912 0 40 GFAB Cc1ccccc1OCCC(=O)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1 19237377 BSJZJMUXKNFYME-HNNXBMFYSA-N 379.420 2.620 0 40 GFAB COCc1ccc(C(=O)N2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1 19239166 ZVSSNCOFCHRRNH-MRXNPFEDSA-N 379.420 2.611 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)c(OC)c1 19552481 GNQUXKPTKQQCGJ-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)c1OC 19567820 DOKRXHTWHRXIQR-CQSZACIVSA-N 385.464 2.964 0 40 GFAB COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)cc12 19590543 GADKYYBKGXNWNW-IBGZPJMESA-N 391.475 2.932 0 40 GFAB Cc1c(-c2ccnc3cc(C(=O)N[C@@H]4CCOc5ccccc54)nn23)cnn1C 19665060 ZDSYIHXQKGBTCZ-MRXNPFEDSA-N 388.431 2.692 0 40 GFAB COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 19935647 RKFYIRQFFHLNJP-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB COc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12 20734594 ZCJMOIDSENZIQC-LBPRGKRZSA-N 375.392 2.979 0 40 GFAB Cc1noc(C(C)C)c1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 22699124 YMOGEIMTVJDYRA-UHFFFAOYSA-N 393.509 2.864 0 40 GFAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 23125734 AKVYBWSAHWGHLN-CVEARBPZSA-N 386.795 2.855 0 40 GFAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 23994081 AZSOVBIUXSMUQC-UHFFFAOYSA-N 379.438 2.938 0 40 GFAB C[C@H](Sc1nc2ncc(Br)cc2[nH]1)C(=O)NCC(F)(F)F 24752323 KIGSEWFRHYIBAJ-YFKPBYRVSA-N 383.193 2.880 0 40 GFAB Cc1nc(C2CC2)nc2sc(C(=O)NCCNC(=O)c3ccco3)c(C)c12 24834760 HSZRCBSERYHJMI-UHFFFAOYSA-N 384.461 2.938 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)cc1 24841739 IRQRAVLGKOCPPC-UHFFFAOYSA-N 376.409 2.830 0 40 GFAB COCCN(Cc1ccco1)C(=O)Cn1c(S)nnc1-c1cccs1 25095720 VCYFUFFONXOMRD-UHFFFAOYSA-N 378.479 2.564 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 25119571 SCKXZJSUHLZRIF-UHFFFAOYSA-N 387.461 2.961 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 26053470 ZJZBVFIBQLLFFE-OXQOHEQNSA-N 376.522 2.933 0 40 GFAB Cc1cc(OCc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)ccc1Cl 27935680 KVSHWHLIVVEEOV-LBPRGKRZSA-N 383.853 2.737 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 29965033 ZQHYAIXZNNHKMP-QGZVFWFLSA-N 380.489 2.748 0 40 GFAB O=C(Nc1ccc(-n2cncn2)nc1)C1(c2ccc3c(c2)OCCO3)CCCC1 30248812 VDNXWGUMRKMVOX-UHFFFAOYSA-N 391.431 2.884 0 40 GFAB CCn1c(CNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)nc2ccccc21 32604190 BSNDFRKEKCWINX-UHFFFAOYSA-N 393.852 2.886 0 40 GFAB CCCNC(=O)CN(C)C(=O)COc1ccc2ccccc2c1Br 32719033 MOTYVUXVFDBSAY-UHFFFAOYSA-N 393.281 2.966 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 33767457 KZNAOYCDTMQXBM-UHFFFAOYSA-N 382.526 2.983 0 40 GFAB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648967 VMJSDWNYENWXNE-YNYSXPKMSA-N 389.813 2.608 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)CCOc2cccc(C)c2C)cc1 40070155 YGOBNQDMVQOXMU-UHFFFAOYSA-N 392.477 2.893 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNCc1cccc(Br)c1 45089550 IDVHTCHLZRSUAR-UHFFFAOYSA-N 383.311 2.788 0 40 GFAB O=C(NCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccs1 46200751 DSDMVTJFUIAGFQ-UHFFFAOYSA-N 380.473 2.971 0 40 GFAB Cc1c(C(=O)NC2CCN(c3ncccn3)CC2)cnn1-c1ccc(F)cc1F 46611341 CDDGXYMIEVVKLA-UHFFFAOYSA-N 398.417 2.648 0 40 GFAB CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3oc(C)nc3c2)c1 47245920 HSXVTFLKKKKMAI-UHFFFAOYSA-N 377.397 2.826 0 40 GFAB COc1ccc(Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)cc1F 49410388 PGEUTMRDEFMOAN-UHFFFAOYSA-N 394.468 2.609 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnn(C[C@H]2CCCO2)c1 56951673 NNVQMNLWKBPRRU-QUCCMNQESA-N 380.448 2.965 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)c1 57489984 CQHUDNCXDYLKQX-UHFFFAOYSA-N 385.489 2.685 0 40 GFAB O=C(NCc1nc(-c2ccsc2)no1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 58130195 ICFSHMGRUBDQHI-MRXNPFEDSA-N 396.472 2.506 0 40 GFAB CN(C)Cc1ccc(CN(C)S(=O)(=O)c2cccc3nsnc23)cc1 58175115 JPXCLMPSJCWZNB-UHFFFAOYSA-N 376.507 2.574 0 40 GFAB C[C@H](C(=O)NC1CCCC1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 58180505 NRQSXTPFVBOPSU-OAHLLOKOSA-N 377.916 2.935 0 40 GFAB CSc1ccc(CNC(=O)c2snc(C(=O)N3CCCC3)c2N)cc1 62006792 HEYVUPCOWQJTTP-UHFFFAOYSA-N 376.507 2.613 0 40 GFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccs1)CC2)c1ccco1 70638598 TYTPTEURIMIPKB-UHFFFAOYSA-N 395.487 2.797 0 40 GFAB O=C(NCCc1nc2c(s1)CCCC2)C1CCN(C(=O)c2ccoc2)CC1 72313439 FILMESRFPLVFDC-UHFFFAOYSA-N 387.505 2.826 0 40 GFAB COc1cc(NC(=O)COc2coc(C)cc2=O)ccc1-n1nc(C)cc1C 72403733 UVKWGCDIJDVPEK-UHFFFAOYSA-N 383.404 2.777 0 40 GFAB COc1cccc(C(=O)NCCNC(=O)CSc2ccc(F)cc2F)c1 78254060 UHTKOXYOVUERBB-UHFFFAOYSA-N 380.416 2.612 0 40 GFAB COc1ccc(C2(CNC(=O)CCNc3nc(C)cc(C)n3)CCOCC2)cc1 79476585 CIGMRWCJPCSLOJ-UHFFFAOYSA-N 398.507 2.769 0 40 GFAB C[C@@](O)(CNC(=O)[C@@H]1CCCN1c1ncnc2ccccc12)c1ccsc1 89900600 DPQLIQOCDWRHAQ-FXAWDEMLSA-N 382.489 2.684 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)(C)CCC(C)=O)cc1 89969068 VAWDMEBDRFVOFG-UHFFFAOYSA-N 382.526 2.729 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)c2cccs2)c(C)c1 90602010 KZOVUAVCGGBRHH-KRWDZBQOSA-N 382.507 2.591 0 40 GFAB CC(=O)c1c(C)cc(C)c(CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1C 95962953 YTSASOCIBPZGRZ-LJQANCHMSA-N 392.565 2.556 0 40 GFAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4CC4CC4)nn3c(O)c2C1 100233845 ZSEMHWHTLCIVGF-IBGZPJMESA-N 397.523 2.913 0 40 GFAB COc1cccc(N(CCCC(=O)NCc2ccccc2)S(C)(=O)=O)c1 113967725 TYEXVEBXVNDLBS-UHFFFAOYSA-N 376.478 2.558 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218598454 NHVPZIMWEBWGRF-BJLQDIEVSA-N 391.464 2.582 0 40 GFAB CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220628766 RTONWVOVFYDHDV-LJQANCHMSA-N 390.505 2.865 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)c(C)c1 222791841 DBKHUKGOFOQFLA-UHFFFAOYSA-N 394.468 2.864 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 223457009 ODPAPGBPTDEJNY-FQEVSTJZSA-N 384.476 2.936 0 40 GFAB CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224819672 JTOZYZFXLWWJBB-UHFFFAOYSA-N 391.445 2.525 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225413826 QHRFDYSJGSWBBJ-QGZVFWFLSA-N 388.489 2.935 0 40 GFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cccs3)CC2)n[nH]1 225563924 NXWHJILSZDOVNS-UHFFFAOYSA-N 386.399 2.783 0 40 GFAB CCN1CCN(C(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 225805524 IFDHHXGAUPEEBK-UHFFFAOYSA-N 382.386 2.852 0 40 GFAB Cc1cccc(CS(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1 240122359 VXBSJWJSMYTAKR-GOSISDBHSA-N 380.535 2.798 0 40 GFAB CCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 253596654 UNHQNJAZFOTXBR-YAPKBZITSA-N 396.535 2.529 0 40 GFAB Cc1ncsc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(N)=O)C1 257244128 IJYSSCLGLCHNRO-WFASDCNBSA-N 393.896 2.890 0 40 GFAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)C5CC5)CCN4C)nnn3c2)cc1 306130242 IZVGCSSWXPPULV-HXUWFJFHSA-N 375.476 2.930 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(NC(C)=O)c2)cc1 408584423 PPOFWGGXHUEMDM-UHFFFAOYSA-N 389.477 2.515 0 40 GFAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408907214 MVOPBAMJQJKBIR-UHFFFAOYSA-N 394.396 2.878 0 40 GFAB Cc1noc(C)c1CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 514289939 PBZMUKILPABGMT-JAXLGGSGSA-N 383.492 2.884 0 40 GFAB biogenic,in-vitro CN(CCCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12)c1ccccc1 524729366 QHJLXIKEMIKXSQ-JXHRLWIKSA-N 393.487 2.739 0 40 GFAB biogenic C[C@@H]1CCN(S(=O)(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)C1 537558880 PJXWXLPZMJKNOW-GOSISDBHSA-N 377.554 2.561 0 40 GFAB Cc1nn(CCNS(=O)(=O)CCOc2ccccc2)c(C)c1-c1ccco1 575614739 DOKNCZCJXORTGB-UHFFFAOYSA-N 389.477 2.758 0 40 GFAB O=S(=O)(NCc1ccncc1OC[C@H]1CCOC1)c1cc2ccccc2o1 585083818 XJYYYZRVUOYZDY-AWEZNQCLSA-N 388.445 2.722 0 40 GFAB C[C@@H]1CN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CCS1(=O)=O 585091116 YXKLOTNRDQWKGN-GFCCVEGCSA-N 391.411 2.652 0 40 GFAB O=C(c1ccnc(F)c1)N1CC[C@@]2(C1)CN(Cc1ccccn1)c1cccnc12 585106376 MDJZHQAPMZXKRH-JOCHJYFZSA-N 389.434 2.815 0 40 GFAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1=O 585106896 KUBNXZCEOFYFPN-JTSKRJEESA-N 384.426 2.982 0 40 GFAB CC(C)CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 585146954 ZKNSHTYCLROLSW-CYBMUJFWSA-N 379.931 2.564 0 40 GFAB Cc1csc(Nc2cc([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 585291782 FZXLDMMOCQOOCX-NFAHFFEMSA-N 386.525 2.727 0 40 GFAB COc1cc(CC(=O)N2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)ccc1O 1848357453 UCKVHRUPQPHLOU-FPOVZHCZSA-N 389.423 2.513 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840587 OBOZKWDUIDXYAF-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037989138 WXJSSXFXFOIDQN-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccc(C(F)(F)F)c1 102942084 VKFDCEFVERHDGM-HUUCEWRRSA-N 382.382 2.887 0 40 GFAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290540 NECISVRANGHHJQ-HUUCEWRRSA-N 380.448 2.888 0 40 GFAB O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 22263506 GMQBNARTYNFYJZ-UHFFFAOYSA-N 375.450 2.604 0 40 GFAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC)CC2=O)cc1 4497865 KFRYSJGZOQZNAQ-HNNXBMFYSA-N 395.459 2.827 0 40 GFAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O 4849431 KFCBPNJTKWBFQY-UHFFFAOYSA-N 398.488 2.830 0 40 GFAB CCC(CC)C(=O)Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1 6817943 OFWPXUYVPZWKMT-UHFFFAOYSA-N 380.495 2.664 0 40 GFAB CCc1ccc(-c2noc(CSc3nc(O)cc(CC(=O)OC)n3)n2)cc1 7029899 WLHVMMARDZKLKQ-UHFFFAOYSA-N 386.433 2.802 0 40 GFAB O=C(NCCCN1CCOCC1)c1cc(-c2ccccn2)nc2ccccc12 24171689 JSHMIHYFEGJODP-UHFFFAOYSA-N 376.460 2.749 0 40 GFAB COc1ccc(-c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1 1394993 CMFIWKCNIQMHCH-UHFFFAOYSA-N 380.429 2.820 0 40 GFAB aggregator COC(=O)c1ccc(NCC(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 25623574 RVVZXSJAECOTOT-UHFFFAOYSA-N 383.448 2.970 0 40 GFAB CC(C)C(=O)N1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1 57456817 BWTSEFWAWKVEOI-UHFFFAOYSA-N 396.516 2.952 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426914 CYLMENDPWHRBSB-UHFFFAOYSA-N 399.516 2.758 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc(-c3cccnc3)cs1)C2=O 12516785 JDHAFYVJSKBLOF-BLVKFPJESA-N 399.476 2.644 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1C 26061172 YDUNZOYPUPAECL-UHFFFAOYSA-N 375.450 2.527 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)C1 12655691 FDWYWWPFGDFIGT-TXEJJXNPSA-N 379.917 2.909 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)C2)n1 58239488 ASJOVEBRPMSHIX-OAHLLOKOSA-N 384.415 2.792 0 40 GFAB CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)c1nccn1C)c1cccs1 48278649 YNRDEXPBCPAPPE-QFBILLFUSA-N 382.489 2.955 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccs1 58312672 PCAGCRVVWDXXPQ-LBPRGKRZSA-N 377.418 2.562 0 40 GFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)CCn2cnc3ccccc32)c1 10516127 GOYWASGOQHLELD-AWEZNQCLSA-N 389.477 2.734 0 40 GFAB COc1cc(CC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)ccc1C 12764102 GRWBMUPRNNGESS-UHFFFAOYSA-N 395.503 2.637 0 40 GFAB O=C(COC(=O)c1ccccc1I)NCc1ccccc1 3391512 QWSAMAGIFWBGIA-UHFFFAOYSA-N 395.196 2.764 0 40 GFAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCCC1=O 11190079 NGOWEZIUXIQWOZ-UHFFFAOYSA-N 387.823 2.583 0 40 GFAB CCC(=O)Nc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 29075418 QNJGOHMMNMZXSY-UHFFFAOYSA-N 376.416 2.944 0 40 GFAB CCN1CCN(Cc2ccc(CNC(=O)[C@H]3COc4ccccc4C3)cc2)CC1 48354440 IDOOLYRGWJOXIU-JOCHJYFZSA-N 393.531 2.692 0 40 GFAB CS(=O)(=O)N1CCCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 29713938 UJTXLNXWPZZRBY-UHFFFAOYSA-N 399.969 2.855 0 40 GFAB CC(C)(C)c1nc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cs1 29723777 IZNTYCMAFKFZAQ-UHFFFAOYSA-N 383.525 2.739 0 40 GFAB CN(C(=O)CCCSc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 12819423 LYVDMERBPLESGM-GFCCVEGCSA-N 384.548 2.814 0 40 GFAB COc1cccc(CN(C)CC(=O)Nc2ccccc2N2CCOCC2)c1OC 3439355 LKPJICJAHFEZHH-UHFFFAOYSA-N 399.491 2.611 0 40 GFAB O=C(CCN1CCC(c2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 12904453 ZDKFRWPBTJFSQZ-UHFFFAOYSA-N 398.507 2.542 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(Cl)c1 12918581 QVAHZWDAPIABQD-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)c1cc(F)ccc1F)C2=O 25084776 IMSLIPBOQFVKON-UHFFFAOYSA-N 387.338 2.685 0 40 GFAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)CCn1cnc2ccccc2c1=O 14076177 SZFPTQIDCWGTCM-UHFFFAOYSA-N 391.880 2.512 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCNC(=O)c1ccc(Cl)cc1 14119261 JSGIUTNGZQSWFD-MRXNPFEDSA-N 388.851 2.758 0 40 GFAB COCCOc1ccc(S(=O)(=O)Nc2c(C)cnn2CC2CC2)cc1C 66254740 KOASFIRFVAQWHL-UHFFFAOYSA-N 379.482 2.736 0 40 GFAB O=C(O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 113876079 KSCQRGGRKNHCHN-UHFFFAOYSA-N 388.214 2.868 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccccc1F 5703974 CBVOARTUNQQNIY-UHFFFAOYSA-N 395.481 2.736 0 40 GFAB COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)c1 7105110 JLNLFNLWDCVKNH-MRXNPFEDSA-N 397.450 2.536 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1=O 15842900 AHTUWZKHLVACCR-NSHDSACASA-N 378.837 2.905 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9356004 HWAMXTGBBROAQY-DZZUKKPASA-N 394.427 2.976 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1cccs1 7990124 VSJSNTOBJAMNFJ-CQSZACIVSA-N 389.502 2.540 0 40 GFAB COc1ccc(NC(=O)[C@H](C)n2nnc3sc4c(c3c2=O)CCCC4)cc1 7995150 BVGUNNTXQRBKCN-NSHDSACASA-N 384.461 2.940 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)ccc1N1CCCC1 8025510 NCHSWXKCZAXHFP-UHFFFAOYSA-N 384.480 2.788 0 40 GFAB CCCCN(C(=O)c1ccccc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O 8393628 XDSREBCGHSEVNA-UHFFFAOYSA-N 376.432 2.505 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)c(C)c1 8380774 ZGHNGDMBLZYKIA-UHFFFAOYSA-N 376.478 2.660 0 40 GFAB COc1ccc(-c2cc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)n[nH]2)cc1 8492819 BDBJWIJLOZFIPN-INIZCTEOSA-N 386.305 2.506 0 40 GFAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1nc2c(s1)CCCCC2 72405219 HTYNMKBMNQZHGP-UHFFFAOYSA-N 384.461 2.775 0 40 GFAB CC[C@](C)(NC(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)c1ccccc1 72271544 DGQCIHNSLJHJQF-QFIPXVFZSA-N 397.475 2.965 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 84622371 GBQJHYCVWVDCRZ-NRFANRHFSA-N 379.504 2.785 0 40 GFAB C[C@@H](C(=O)Nc1cc(NC(=O)[C@@H](C)n2cccn2)c(F)cc1F)n1cccn1 95965887 VIXPQYFLEXAFDZ-TXEJJXNPSA-N 388.378 2.757 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@]12CN(CC1CC1)C[C@H]2c1cccnc1 306140244 UNVDHILINJPFTH-FPOVZHCZSA-N 383.517 2.750 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22539432 UNYRTGPTRYOLQV-UONOGXRCSA-N 394.468 2.769 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)c(Cl)c1 408619734 ITIHCBCNAQWIRJ-UHFFFAOYSA-N 390.933 2.960 0 40 GFAB Cc1ccc(NC(=O)Cn2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)cc1 36611649 OXYPHDCHUUNMSR-UHFFFAOYSA-N 375.436 2.631 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)sc1C 548007791 PNBFYXLVDBNMTF-OLZOCXBDSA-N 383.495 2.824 0 40 GFAB COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CO)c3c1[C@H](C2)N(C)CC3 1068989 FRSRMZNTUGSNRW-INIZCTEOSA-N 385.460 2.965 0 40 GFAB biogenic O=C(Nc1ccc(N2CCOCC2)c2ccncc12)N1CC[C@H](n2cccn2)C1 514766540 UUSVEMLEGAVNFW-INIZCTEOSA-N 392.463 2.747 0 40 GFAB C[C@@H]1Cc2cc(-c3cc(CNC(=O)CSc4ncccn4)no3)ccc2O1 36662321 GBPWZTDMXYKYLY-GFCCVEGCSA-N 382.445 2.864 0 40 GFAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(OC3CCCC3)nc2)C1 524923642 CVZRNGFTISDPEM-DOTOQJQBSA-N 395.525 2.558 0 40 GFAB C=CC(=O)N(C)CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 1543027339 XVKFPAOIINOYEU-UHFFFAOYSA-N 392.459 2.860 0 40 GFAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)nc(N2CCOCC2)n1 72391750 WYQYDCRGIOOUIW-QGZVFWFLSA-N 382.464 2.654 0 40 GFAB Cn1cc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 567293884 XKNHLXKPJIVONX-OAHLLOKOSA-N 396.430 2.611 0 40 GFAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(C(C)=O)cc2C)n1 32623541 QINSNWUZQJRLLE-UHFFFAOYSA-N 382.825 2.654 0 40 GFAB C[C@@H](NC(=O)N1CCn2c(cc3ccccc32)C1)c1cccc(S(N)(=O)=O)c1 566536270 JBYGZXDVRBNDOO-CQSZACIVSA-N 398.488 2.575 0 40 GFAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 40390429 XROVXQMFZWLXGL-CABCVRRESA-N 395.463 2.603 0 40 GFAB CCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 225427225 GFJXOVXFDATSAE-UHFFFAOYSA-N 386.524 2.543 0 40 GFAB CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223829812 UOLOYIDVFUHAPI-UHFFFAOYSA-N 397.518 2.571 0 40 GFAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 225618519 FCUDICJRXRDPNG-MRXNPFEDSA-N 382.526 2.715 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1C 223893333 BHUQFXPTCHYSST-CQSZACIVSA-N 397.518 2.755 0 40 GFAB COc1cc(CNC(=O)c2ccc(Cn3ccnc3)cc2)cc(OC)c1OC 44442418 QYYAGOCDKFDJMI-UHFFFAOYSA-N 381.432 2.887 0 40 GFAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 223883709 SFKQNZBZVYMNIG-UHFFFAOYSA-N 392.477 2.873 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1OC 223763794 OKMFCMRXCHZSGP-UHFFFAOYSA-N 389.433 2.575 0 40 GFAB O=C(Nc1cc(-c2cccc(F)c2)on1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 576918084 UAIXKQRSJZZRHI-DZGCQCFKSA-N 394.406 3.294 0 40 GFAB Cn1ccc2cc(NC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)ccc21 96114603 KLCRIFMNNSASSD-SFHVURJKSA-N 390.443 2.670 0 40 GFAB biogenic CCC(CC)NC(=O)c1ccc2nnc([C@@H]3CCN(C(=O)NC(C)C)C3)n2c1 96267614 ALIUJURCFJRFTL-CQSZACIVSA-N 386.500 2.555 0 40 GFAB COCCn1cc(CC(=O)NCC(=O)c2ccc(OC)cc2)c2ccccc21 95477917 MXEMEFWVUZGPBQ-UHFFFAOYSA-N 380.444 2.838 0 40 GFAB CCc1c(C(=O)N2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)[nH]c2ccc(C)cc12 257306843 SWFYWVCRAHSBNS-OALUTQOASA-N 385.508 2.776 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCC2(O)CCCC2)[C@@H]1c1cccc(OC)c1 257313958 UUVITFHKSBTVRI-QUCCMNQESA-N 388.508 2.806 0 40 GFAB Fc1ccccc1OCCc1cc([C@H]2CN(C3CCOCC3)CCO2)n[nH]1 257269000 MODMSEXIDJUDDU-HXUWFJFHSA-N 375.444 2.723 0 40 GFAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cncc(C(=O)O)c2)c1 630119882 XCRBGGAITCYBLO-UHFFFAOYSA-N 376.434 2.745 0 40 GFAB Cc1ncnc(OCC2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)c1C 1775995047 RGYVOLLMSAZQAR-IBGZPJMESA-N 381.476 2.962 0 40 GFAB Cc1ccccc1CC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154554 FYXQXEYFQJSQFC-HSZRJFAPSA-N 378.472 2.962 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 13646348 QZGRVPSQIBJOLA-LSDHHAIUSA-N 388.489 2.828 0 40 GFAB CCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 15771994 ZUZKGRLYAXEFQP-UHFFFAOYSA-N 398.444 2.734 0 40 GFAB Cc1cccn2c(=O)cc(CSCC(=O)Nc3nnc(C(C)C)s3)nc12 15864049 HUHHIBPWDJWMAU-UHFFFAOYSA-N 389.506 2.850 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)CCC(=O)c1cc(C)sc1C 19316433 GTBHRDBHPDFUJJ-HNNXBMFYSA-N 397.493 2.575 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1nonc1C)Cc1ccccc1O2 19558818 FZUSEVYDKIZYHT-UHFFFAOYSA-N 398.463 2.573 0 40 GFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3ccnn3C)c2)cn1 19691030 BIZGHDUPVJAZMR-NRFANRHFSA-N 390.491 2.882 0 40 GFAB CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930300 HTPJEIALCCZILE-UHFFFAOYSA-N 376.906 2.666 0 40 GFAB Brc1ccccc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1 1889201585 OCAOJRSKTBJHQO-UHFFFAOYSA-N 399.296 2.747 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037839660 AARLRYUDYMUYGU-JOCHJYFZSA-N 397.475 2.649 0 40 GFAB Cc1ccc(OCC2(O)CCN(C(=O)CCc3cnn(C)c3C)CC2)cc1C 2037916212 VLMNLFDUMCMFNM-UHFFFAOYSA-N 385.508 2.710 0 40 GFAB COc1ccc(C(=O)NCc2nnc(SC)n2-c2ccc(OC)cc2)cc1 4059378 WBDSEHXMCCNXAG-UHFFFAOYSA-N 384.461 2.936 0 40 GFAB COc1ccc(-c2ccc3nnc(SCC(=O)Nc4nccs4)n3n2)cc1 5167694 YJQZRKAAGHAPCH-UHFFFAOYSA-N 398.473 2.987 0 40 GFAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 8704203 CKLIIIYHJQDSMP-UHFFFAOYSA-N 390.374 2.795 0 40 GFAB CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cccc(OC)c21 101042059 BVCIDEWTSJSCBD-HNENSFHCSA-N 390.486 2.876 0 40 GFAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 225633782 QHXMQWAANHFCIK-CRAIPNDOSA-N 380.400 2.897 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19499406 SJERYABBIIQIHU-WOJBJXKFSA-N 396.491 2.652 0 40 GFAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C)ccn1 10430591 IVEWBFQWSZLUKH-HNNXBMFYSA-N 386.477 2.626 0 40 GFAB COc1c(C)ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1C 40072766 NIDHVFSQTHFSLB-UHFFFAOYSA-N 377.466 2.677 0 40 GFAB CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc(OCC(F)(F)F)cc1 40154945 HCSWZRAHKMBNBZ-CQSZACIVSA-N 392.443 2.892 0 40 GFAB COc1ccccc1OCCNC(=O)CCS(=O)(=O)c1ccccc1Cl 40160394 CLBOMMVTPQQIRJ-UHFFFAOYSA-N 397.880 2.708 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)ccc1C 32081070 BEJJHUXCPKRXMK-UHFFFAOYSA-N 390.490 2.915 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)c1 21023979 XUUSEITZKULIMD-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 855885 TVEKAMAVYVEAPA-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB Cc1ccc(NCc2nnc(SCC(N)=O)n2C[C@@H]2CCCO2)cc1Cl 915545 DNHRRPATDVVMQJ-ZDUSSCGKSA-N 395.916 2.608 0 40 GFAB COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c2csnn2)cc1 1346779 FNHBNDVMBOECQO-UHFFFAOYSA-N 396.472 2.506 0 40 GFAB CCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 2179224 IJTSPWVEZLOYKS-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB C[C@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 2323910 VYYDPPUSQDDSGP-QWRGUYRKSA-N 387.509 2.601 0 40 GFAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2627621 BUIGGJYSZOBRDB-MRXNPFEDSA-N 387.358 2.880 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCN(C)CC3)cc2)cc1 2653581 OEQSFQSPWNBKPL-UHFFFAOYSA-N 387.505 2.574 0 40 GFAB CCOc1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3c(c2=O)SCC3)cc1 2719926 VPLDJDBUKMWYRK-NSHDSACASA-N 392.502 2.933 0 40 GFAB CCSc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 3358511 ILFYKBAZGZYWHQ-ZDUSSCGKSA-N 376.507 2.946 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C)c1 3400573 XABRYVWTNXXFNM-UHFFFAOYSA-N 396.472 2.928 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 3408323 ADXIWYDSFUUFCQ-UHFFFAOYSA-N 386.351 2.590 0 40 GFAB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)C(N)=O 3490437 AKJAPKMOXBMWHZ-JTQLQIEISA-N 391.399 2.953 0 40 GFAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3 3546526 WQCFXPHMGYNBHK-UHFFFAOYSA-N 380.400 2.515 0 40 GFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(OC)cc1 4029973 DSDAYIXXIAMTKR-IBGZPJMESA-N 381.432 2.760 0 40 GFAB biogenic COCCCn1c(SCC(=O)Nc2cccc(O)c2)nc2ccccc2c1=O 4160910 UJUHRESJOILRNP-UHFFFAOYSA-N 399.472 2.869 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4cccc(C)c4C)c(C)c(C)n23)n(C)c1=O 4370478 IPCPAIOZSCZTRT-UHFFFAOYSA-N 379.464 2.782 0 40 GFAB Cc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1C 4569562 DFURCYVLSLTFKM-MRXNPFEDSA-N 378.519 2.948 0 40 GFAB COC(=O)CCCC[C@H]1SC[C@H](NC(=O)c2ccccc2)[C@@H]1OC(C)=O 5005303 PVEAODUKPHUVRQ-JZXOWHBKSA-N 379.478 2.566 0 40 GFAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C(C)=O)c2)cc1 5016219 PWDRFAABPNHVBM-UHFFFAOYSA-N 397.460 2.994 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cc1 5081791 SNPUHKKZLVPIRM-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB C[C@@H]1CN(C(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)C[C@@H](C)O1 5304235 JPMMYNVEMUDENK-HZPDHXFCSA-N 377.444 2.694 0 40 GFAB CCCCn1c(=O)c(CCC(=O)OCC(=O)c2ccc[nH]2)nc2ccccc21 5335067 YFOOAXPGDNHHOC-UHFFFAOYSA-N 381.432 2.883 0 40 GFAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(F)c1 6113784 PGZILNXAEJXSEM-NSHDSACASA-N 375.352 2.790 0 40 GFAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 6155666 ONSWGFMOMDWGFR-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB COCCNc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1 6427956 SPIQATZWEGGRCN-UHFFFAOYSA-N 382.555 2.774 0 40 GFAB OCCNc1nc2ccccc2n1CN1CCN(c2ccccc2Cl)CC1 6508641 ZIQGYNGXVMNUDE-UHFFFAOYSA-N 385.899 2.874 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 7078015 HJHVQLHWDUFOJR-CEITULEQSA-N 394.405 2.981 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccc(C)cc3F)c(=O)c12 7553368 HRPQISVBWAGAOA-UHFFFAOYSA-N 387.367 2.561 0 40 GFAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 8236187 CRBMQAJZIZPCMO-INIZCTEOSA-N 376.420 2.986 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(C)=O)CC3)cc1F 8976929 BEKKNKFUTHFNOB-UHFFFAOYSA-N 392.452 2.930 0 40 GFAB Cn1ccnc1SCCNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 9116033 ONGXESHRQWUOBQ-INIZCTEOSA-N 394.500 2.835 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CC[C@H]2CCCC[C@H]2C1 9155965 BAHVXDOUBXOSCJ-SJORKVTESA-N 391.475 2.621 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1 9419669 NNCIUWIEXGRORC-WBAXXEDZSA-N 387.480 2.591 0 40 GFAB Cc1cc(NC(=O)CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 9549682 HNQRUOHKHPMGCO-UHFFFAOYSA-N 392.481 2.598 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1N 11519478 DRJSQFKJEAUDCU-UHFFFAOYSA-N 390.852 2.503 0 40 GFAB O=C1N[C@@]2(COC3(CCN(C(=O)Cc4ccsc4)CC3)C2)Nc2ccccc21 12085493 KNCGORZPWRNETA-NRFANRHFSA-N 397.500 2.624 0 40 GFAB COc1ccc(OCCNC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1 12364243 PCCBQANFGBEAMX-RGMRCXJASA-N 386.492 2.665 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 12441157 CCAQYGPNJQAGHI-UHFFFAOYSA-N 390.443 2.737 0 40 GFAB CC(=O)c1ccc(N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)c(F)c1 12544079 GJONAXYRBZILOC-UHFFFAOYSA-N 399.253 2.672 0 40 GFAB NC(=O)[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 12900865 VSQJSWOELZWNNJ-OAHLLOKOSA-N 377.429 2.840 0 40 GFAB O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(OC(F)(F)F)c1 12916528 VGSLYDHZJUGLEW-UHFFFAOYSA-N 393.321 2.977 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 13006520 DNAPKGYYFHSLRF-HNNXBMFYSA-N 396.871 2.857 0 40 GFAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccsc1 13018715 ZNNRQXSOQOUQHL-UHFFFAOYSA-N 393.534 2.603 0 40 GFAB O=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)NCCc1ccccc1 14070295 PWKISCVXMGLBQH-KRWDZBQOSA-N 392.484 2.895 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 15842954 OSXLJMGSDWPTQN-CYBMUJFWSA-N 388.445 2.650 0 40 GFAB CN1C(=O)N(C)C2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O 16849920 MTAKDACDYDIXEB-UHFFFAOYSA-N 377.444 2.852 0 40 GFAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)CCn3cncn3)C2)n1 19117690 FDRWENRRFSZULM-OAHLLOKOSA-N 382.493 2.901 0 40 GFAB Cc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365937 GPBMMKKNJWTVGV-XZOQPEGZSA-N 394.515 2.952 0 40 GFAB CCN1CCN(C2CCN(C(=O)c3cccc(-n4nc(C)cc4C)c3)CC2)CC1 19528139 LZPRROIFQZAYIC-UHFFFAOYSA-N 395.551 2.731 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529685 NKVDDHHSNMJOSL-RTXPOLOASA-N 392.455 2.767 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)s1 19559988 ONBKAYOOUNOURE-CQSZACIVSA-N 381.461 2.535 0 40 GFAB COc1cccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)c1 19564915 XWHVZBCVYUIJLR-GOSISDBHSA-N 399.491 2.972 0 40 GFAB COCC(=O)N1CC[C@@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 19704591 NTIJOSTXVVTQNW-GFCCVEGCSA-N 383.370 2.970 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(F)c1 20019088 VELMUINUZQKXHF-UHFFFAOYSA-N 396.415 2.767 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1 20024442 CNKZBOSLHRHOOL-UHFFFAOYSA-N 386.395 2.926 0 40 GFAB CN(Cc1ccco1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 21902983 CLZHYIJDFJJLSS-UHFFFAOYSA-N 376.478 2.655 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)s1 22282933 WODOAELDWNUCDC-UHFFFAOYSA-N 392.506 2.585 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc(Cl)cc1 22331181 XGWUECDZSCRTLM-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 24073589 MFVFGPIAIHRKBZ-ZIAGYGMSSA-N 383.473 2.596 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2cc(F)ccc2F)cc1 24293257 QRXVZYOPKWGSPY-SFHVURJKSA-N 396.459 2.625 0 40 GFAB Cc1ccc(C)c([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 24959695 KUPMJGPQCOPVCE-HNNXBMFYSA-N 386.473 2.715 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC2=CCCCC2)cc1 25717047 NBKGNBVIYZFYLE-LJQANCHMSA-N 392.521 2.855 0 40 GFAB O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25782459 VKZVAODNUNXKJW-OAHLLOKOSA-N 381.388 2.925 0 40 GFAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)N1CCOCC1 27976377 RKBRIIMQWHBMFK-UHFFFAOYSA-N 396.443 2.502 0 40 GFAB O=C1CSC(=O)N1[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 28284002 XWWUGMFMOOXMAJ-QWHCGFSZSA-N 388.898 2.625 0 40 GFAB COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)s1)c1ccc(OC)c(OC)c1 30498802 ODOSHQBEZRPPSK-ZDUSSCGKSA-N 399.490 2.656 0 40 GFAB COc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 31745257 PCFGOOBXIMHGLY-GFCCVEGCSA-N 380.491 2.704 0 40 GFAB COc1ccc(-c2nc(CN3CCN(C(=O)c4cnccn4)CC3)cs2)cc1 32760365 UVVCJQZCZNLALN-UHFFFAOYSA-N 395.488 2.567 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 32863305 KKGRXJPBPSRVAG-XLIONFOSSA-N 375.513 2.980 0 40 GFAB Cc1nc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)sc1CC(N)=O 32871331 JGMUURLGMGYFHM-MWLCHTKSSA-N 381.498 2.976 0 40 GFAB C[C@H](CC(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O)n1ccnc1 35132392 DRBHLTBCFSGKQW-HLVNSREUSA-N 390.490 2.748 0 40 GFAB CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc32)cc1 35311028 DDNAWNBIINZOFF-UHFFFAOYSA-N 379.445 2.546 0 40 GFAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 36397576 ACHCKGVZQOFMHP-HXUWFJFHSA-N 395.434 2.870 0 40 GFAB CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)c2O1 40074735 VMJZUADPCHPPQN-SFHVURJKSA-N 381.428 2.677 0 40 GFAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1NS(C)(=O)=O 40086463 GVKRKCOXDHMTKI-KRWDZBQOSA-N 391.493 2.526 0 40 GFAB Cc1cccc(N2CCN(C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1 40120468 SXAFMFFVJGWFMG-UHFFFAOYSA-N 379.464 2.879 0 40 GFAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCCc1cccc(Cl)c1 40122743 JPBIJDDDRPLRQN-UHFFFAOYSA-N 382.851 2.695 0 40 GFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 40154380 ZEENUZONTQBZHE-AWEZNQCLSA-N 389.475 2.651 0 40 GFAB O[C@@H](COCCOc1ccc(F)cc1)CN1CCN(c2ccccc2F)CC1 41690267 HFNJROXTWOJDHL-GOSISDBHSA-N 392.446 2.543 0 40 GFAB Cn1c(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2ccccc21 42381473 HGSSCEWEIBYSCL-UHFFFAOYSA-N 396.925 2.799 0 40 GFAB O=C(Nc1ccc(CC(=O)N2CCC(O)CC2)cc1)c1cc(-c2ccco2)on1 44036632 HGWOSDTWIBEAJY-UHFFFAOYSA-N 395.415 2.713 0 40 GFAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Br)cc1F)CCCC2 49404700 GIMLNHYLUQMTIK-UHFFFAOYSA-N 394.244 2.971 0 40 GFAB O=C(c1ccc(O)cc1)C1CCN(C(=O)NCc2cccc3c2OCO3)CC1 50124887 YECVRTMXGUAAML-UHFFFAOYSA-N 382.416 2.925 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 52746797 HBQXFRUQJOJZNE-UHFFFAOYSA-N 394.475 2.538 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCc3ccccc32)cc1 53982710 MFJSFZWFEXXRHD-UHFFFAOYSA-N 387.505 2.989 0 40 GFAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N(Cc1ccc(C)cc1)C1CC1 56038792 ZMGMMCXGKQONAT-UHFFFAOYSA-N 377.466 2.557 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)N(C)C2CCCCC2)c1=O 57427205 SXDUFIBZBDVKGU-UHFFFAOYSA-N 377.510 2.816 0 40 GFAB COc1cccc2sc(N(C)CC(=O)NCc3nc4ccccc4[nH]3)nc12 70973057 MSRWCSZUJXYXMO-UHFFFAOYSA-N 381.461 2.934 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)n1 72375432 MUHSIFLCBZAYIB-HNNXBMFYSA-N 396.476 2.511 0 40 GFAB COc1cc(C2=NN(C=O)[C@@H](c3ccc4c(c3)OCO4)C2)cc(OC)c1OC 78546246 SLBTVIOVARBNCK-OAHLLOKOSA-N 384.388 2.749 0 40 GFAB CN(CC(=O)NCc1cccs1)C(=O)C(C)(C)c1ccc2c(c1)OCCO2 78806589 CUGNDGBOBOJYCU-UHFFFAOYSA-N 388.489 2.572 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(NC=O)cc3)CC2)cc1F 78903080 KQJAQHQOSRNURD-UHFFFAOYSA-N 397.450 2.871 0 40 GFAB Cc1c(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(=O)[nH]c2ccccc12 79018138 NDXUARWPNZPAPZ-OAHLLOKOSA-N 395.503 2.947 0 40 GFAB COc1ccc([C@@H](O)[C@@H]2CCCN2C(=O)c2cnn(-c3ccccc3)n2)cc1 89438802 OSOVTJUUZPQSMV-VQTJNVASSA-N 378.432 2.614 0 40 GFAB COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 89672787 IAMDNQZYUPOPSY-NRFANRHFSA-N 381.432 2.718 0 40 GFAB Cc1c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)sc2nc3n(c(=O)c12)CCC3 95394969 LILNTTWPAFBBIM-UHFFFAOYSA-N 392.444 2.750 0 40 GFAB COc1ccc2c(ccn2CCC(=O)NCCCc2nnc3ccccn23)c1 95477483 YIJQTZPOIBNWPX-UHFFFAOYSA-N 377.448 2.832 0 40 GFAB CCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccsc23)CC1 95949007 WMRGEBPPEGXVMC-UHFFFAOYSA-N 394.444 2.618 0 40 GFAB Cc1nc(CN2CCN(C(=O)CCc3nc(C)c(-c4ccccc4)o3)CC2)no1 95958598 UWBYXMKBSRRYEW-UHFFFAOYSA-N 395.463 2.618 0 40 GFAB CCCn1cnc(-c2nc(C(=O)NCc3cnc(C)cn3)c3ccccn23)c1 96037974 GHDHAVPTIUUODT-UHFFFAOYSA-N 375.436 2.636 0 40 GFAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccc(F)cc1)C2 96050143 BZIGGYLHNBMFLW-QFIPXVFZSA-N 381.451 2.666 0 40 GFAB Cc1ccccc1C(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225003 LSWWBNAHFRXFJH-OAQYLSRUSA-N 378.432 2.780 0 40 GFAB C[C@H](CNC(=O)C1=NO[C@]2(CCN(Cc3nccs3)C2)C1)c1ccccc1 96225713 WMYCXZSQQJFMNJ-FOIQADDNSA-N 384.505 2.784 0 40 GFAB Cn1nc(C(=O)N2CCC[C@@]3(C[C@H](CN4CCCC4)CO3)C2)c2ccccc21 96228373 ZESGVEDIMLBCLL-VGOFRKELSA-N 382.508 2.680 0 40 GFAB COc1ccc(-n2nc(CSc3nnnn3-c3ccccc3)cc2O)cc1 100139191 JBCYCQPCEZKUAE-UHFFFAOYSA-N 380.433 2.855 0 40 GFAB COc1ccc(CCCNC(=O)CN2C(=O)[C@H]3CC[C@](C)(C2=O)C3(C)C)cc1 100730807 XBIRYTGPYZHISR-VGOFRKELSA-N 386.492 2.555 0 40 GFAB COc1ccc(NC(=O)[C@H]2[C@H]3NC(=S)N[C@@]2(C)Oc2c(OC)cccc23)cc1 104785777 UHGARAISYKKZIE-GUXCAODWSA-N 399.472 2.586 0 40 GFAB C[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 113958039 DFILKDYIHPVZIV-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 217536654 ORKNERHMCZSBPF-LRAJWGHMSA-N 377.444 2.883 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222447766 OGGZYBKYYBOBTA-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB O=S(=O)(CCCOc1ccccc1)N1CC(n2cc(-c3ccccc3)nn2)C1 225664279 ZQTCSFLQDOEHHS-UHFFFAOYSA-N 398.488 2.601 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)n1 225721481 ZHUKLBSXJPVZMA-CYBMUJFWSA-N 393.490 2.780 0 40 GFAB Cc1nc2c(c(N3CCC(NC(=O)Cc4c(C)noc4C)CC3)n1)CCCC2 225740181 HEMNLVAXJVMLTO-UHFFFAOYSA-N 383.496 2.596 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 248266111 DVKNLPLLTBOOFE-AQOAWAETSA-N 394.427 2.830 0 40 GFAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(C(=O)CN(C)C)CCO2)n1 257290241 QCDBWLWNDFNTJP-QGZVFWFLSA-N 389.525 2.668 0 40 GFAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@H]2CCCCN2S(C)(=O)=O)n1 257333284 YAYOVGLFMAVKLV-MRXNPFEDSA-N 375.450 2.637 0 40 GFAB CN1CCN(Cc2cnn(C)c2)C[C@@H]1c1cn2c(-c3ccncc3)cccc2n1 306136206 PMPZXIRADOXDEA-OAQYLSRUSA-N 387.491 2.619 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)NC1=S 409218923 YNDFIXZFEYGROB-WQRHYEAKSA-N 396.468 2.805 0 40 GFAB CCc1oc2ccccc2c1CC(=O)NS(=O)(=O)c1cnn(CC2CC2)c1 528992727 CSYQWLLIRBCLTR-UHFFFAOYSA-N 387.461 2.649 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CC[C@@]3(CCCN(C)C3)C2)cc1 550239218 SQVHUJHXSXWJAT-JOCHJYFZSA-N 381.524 2.845 0 40 GFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 562439667 BAADZSYXXSMJAC-WBVHZDCISA-N 379.464 2.619 0 40 GFAB O=C(CN(Cc1cccnc1)c1ccccc1)N1CCCC[C@H]1c1nc(O)n[nH]1 577356769 IYEIQNSHJZONDJ-SFHVURJKSA-N 392.463 2.666 0 40 GFAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@@H]1CCNCC1(F)F 583747439 SBBKPTOGBVWZER-AWEZNQCLSA-N 381.810 2.733 0 40 GFAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(C(=O)c3ccn(C)n3)CC2)c1 585274022 YMASIKIHPLXPRK-IBGZPJMESA-N 377.872 2.818 0 40 GFAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1 585389944 ZDSWFIOSOUZAHA-JTQLQIEISA-N 390.328 2.812 0 40 GFAB O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cnc2n1CCOC2 667256736 SJICRQLWUVTFOL-UHFFFAOYSA-N 391.353 2.548 0 40 GFAB O=C(CCc1ccccc1Br)N1CC[C@H](Oc2cnsn2)C1 675008382 VFYSMFANIKRBAL-LBPRGKRZSA-N 382.283 2.913 0 40 GFAB CCOc1ccc(NC(=O)CN2CCN(C(=O)Nc3ccc(C)nc3)CC2)cc1 676269407 PBYIGRBKLCDPHK-UHFFFAOYSA-N 397.479 2.577 0 40 GFAB Cc1nnc([C@H]2CN(C(=O)N[C@H]3CCCOc4ccc(F)cc43)CCO2)o1 683824279 UJRGPGQLPRKUFT-GOEBONIOSA-N 376.388 2.514 0 40 GFAB COc1ccccc1-c1noc(Cn2c(=O)n(C3CC3)c(=O)c3ccccc32)n1 824834828 PZQXCDUUPYWCBU-UHFFFAOYSA-N 390.399 2.605 0 40 GFAB O=c1cc(N2CCC(COc3ccc(C4CC4)nn3)CC2)nc2ccccn12 1775970667 PPOYFKOODFZLSG-UHFFFAOYSA-N 377.448 2.657 0 40 GFAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3c(F)cccc3F)s2)cn1 1889231429 HXYOHYLNVNGRNX-UHFFFAOYSA-N 383.445 2.948 0 40 GFAB COc1ccc(NC(=O)[C@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1 642803 POFFOBFCNPOEMU-CQSZACIVSA-N 395.444 2.600 0 40 GFAB O=C([C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1)N1CCc2ccccc21 1345933 URYHHQZTGMEBAC-INIZCTEOSA-N 388.464 2.816 0 40 GFAB CC[C@H](C)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 1429007 ZOGXAQPCOMELAX-ZDUSSCGKSA-N 376.482 2.906 0 40 GFAB CC(C)NS(=O)(=O)OC[C@](O)(CC(Cl)(Cl)Cl)c1ccccc1 1562489 HZODHTUKCFMVFH-GFCCVEGCSA-N 390.716 2.894 0 40 GFAB COc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1O 1567741 ORVDDIQJHWRRLN-NTUHNPAUSA-N 385.372 2.771 0 40 GFAB Cc1c(CCC(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)oc2cc(O)ccc12 2098085 SENWQXATZZWXQH-IBGZPJMESA-N 381.384 2.682 0 40 GFAB biogenic Cc1ccc2nc(-c3ccc(NC(=O)C[C@@H]4NCCNC4=O)cc3)sc2c1 2437354 BGBJYHNTQSYZEJ-INIZCTEOSA-N 380.473 2.688 0 40 GFAB CCc1nnc(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)s1 2660108 XMZVOZGKNMLJHU-GFCCVEGCSA-N 394.522 2.599 0 40 GFAB Cc1cc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1Cl 2763302 GPVZERZJPDWIGQ-AWEZNQCLSA-N 376.840 2.993 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 3408843 VYTXILSDJXABCS-UHFFFAOYSA-N 391.811 2.943 0 40 GFAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 3455967 WWXVNSNPPWTDJF-CQSZACIVSA-N 387.457 2.615 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CSc2nnnn2-c2ccccc2)n1 3504114 BEHAEYNTXBLZFA-UHFFFAOYSA-N 391.464 2.774 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 3506252 PGHOLPKFAHXGOG-UHFFFAOYSA-N 395.488 2.915 0 40 GFAB COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=NNN32)cc1OCc1ccccc1 3634802 SWDFCZMTKLVJED-GOSISDBHSA-N 392.419 2.632 0 40 GFAB O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCCC2)s1 4087921 KWYORBCGFCHZGL-UHFFFAOYSA-N 394.497 2.963 0 40 GFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)CC1 4121613 SEHHAMWWDJMIAS-UHFFFAOYSA-N 396.516 2.872 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2OC)CC1=O 4512428 WAPDOIYTISBHOS-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1 5576710 AKSWJNPFDRSYFN-UHFFFAOYSA-N 390.461 2.756 0 40 GFAB Cc1c(NC(=O)COC(=O)/C=C/c2cccs2)c(=O)n(-c2ccccc2)n1C 6084713 LOLQIGUVHZAMBB-ZHACJKMWSA-N 397.456 2.741 0 40 GFAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccc2c(c1)COC2=O 6276767 QGQRYKJTHHKDEM-UHFFFAOYSA-N 376.821 2.902 0 40 GFAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 6653197 JLYUWMNRCOKFPD-LLVKDONJSA-N 397.294 2.516 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 6976353 QQSFOAVMXZTBFD-UHFFFAOYSA-N 386.448 2.683 0 40 GFAB COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 7306325 GSIFSCYAWWJMJQ-QGZVFWFLSA-N 375.446 2.741 0 40 GFAB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 7495228 NTNDXMVCSOCXQP-QGOAFFKASA-N 379.416 2.890 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2[nH]1 7738487 KWFQCRGSZIYRSF-MRXNPFEDSA-N 393.476 2.763 0 40 GFAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COn1nnc2ccccc21 7981077 IESCRLWVGBINMM-UHFFFAOYSA-N 386.433 2.614 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c1 8266823 LWLYBUDTMGZJHD-LLVKDONJSA-N 375.812 2.744 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccccc2OC)c1 8494778 JXEIVMOEBXZONL-LBPRGKRZSA-N 387.388 2.674 0 40 GFAB COC(=O)c1ccc(CNC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 8747010 CRTBACLZVINJQS-UHFFFAOYSA-N 383.448 2.514 0 40 GFAB CCN(Cc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8942932 GWPCRARNZNYBIH-UHFFFAOYSA-N 384.867 2.847 0 40 GFAB Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccccc3)(C(F)(F)F)C2=O)cc1 9332778 MARFSXLIQFTHFZ-KRWDZBQOSA-N 377.322 2.740 0 40 GFAB CC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 9627653 AHLBFNIGCXIACV-MRXNPFEDSA-N 381.494 2.533 0 40 GFAB COc1cc(NC(=O)CSc2nc3ncccn3n2)c(OC)cc1Cl 10079413 QFEKZPMGEZTVFG-UHFFFAOYSA-N 379.829 2.526 0 40 GFAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 10764451 GPECXYKSNVWQOL-CQSZACIVSA-N 389.473 2.671 0 40 GFAB CC(C)CC(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914258 POJXGVWYNNVASE-NSHDSACASA-N 378.288 2.604 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 12398344 XYOPFTRANMRSEX-UHFFFAOYSA-N 396.539 2.931 0 40 GFAB C[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 12608571 MATQKAPSWYKMST-KWJFTMPMSA-N 395.503 2.801 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)Cc1ccc(N2CCCC2=O)cc1 12728487 FIWGYFNDIHQSCH-UHFFFAOYSA-N 379.460 2.728 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc2ccccc2nc1N1CCCC1 12778074 LTBGHFRZOAHBLU-UHFFFAOYSA-N 389.415 2.777 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 12928711 MLXIWUBRYVXMMK-OAHLLOKOSA-N 388.489 2.602 0 40 GFAB CCOc1c(Br)cc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1OC 13170821 FRVALPWKRJPZOO-JTQLQIEISA-N 386.242 2.793 0 40 GFAB O=S(=O)(c1ccc(-c2nnc(S)n2Cc2ccco2)cc1)N1CCCC1 13534703 LTZOWSYRISOXHJ-UHFFFAOYSA-N 390.490 2.660 0 40 GFAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N(C)C 15014768 PVUMPHPCTBICKE-UHFFFAOYSA-N 386.832 2.990 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cc2csc(Nc3ccc(F)cc3)n2)CC1 16850214 DTYYSPJJADXXKZ-UHFFFAOYSA-N 392.456 2.869 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c(C)c1 19132746 ZETCNIYSUQQDMZ-MSOLQXFVSA-N 394.519 2.913 0 40 GFAB Cc1ccc([C@@H](C)C(=O)NCCn2nc([C@@H]3CCNC3)c3cccnc32)cc1 19136355 ATGDIECVLGBIHI-SJLPKXTDSA-N 377.492 2.737 0 40 GFAB Cc1cccc(N2C[C@H](c3cc(=O)[nH]c(NCc4cccnc4)n3)CC2=O)c1C 19235600 JSBBUDPXQHLEFH-QGZVFWFLSA-N 389.459 2.914 0 40 GFAB Cn1ccnc1-c1nc(NCCN2CCCC2=O)ncc1-c1cccc(F)c1 19291670 USCYHYBKMIPDRP-UHFFFAOYSA-N 380.427 2.718 0 40 GFAB O=C(CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)NC1CCCC1 19346013 CWOXYCGCMSGGJJ-UHFFFAOYSA-N 377.872 2.944 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3ccsc3n2)C(C)C)cc1 19351318 XFCLKNCUSNCYRP-KRWDZBQOSA-N 399.472 2.562 0 40 GFAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2nn(C)cc2Cl)c(C)n1 19524660 BCQXYSHVDHBYBZ-AWEZNQCLSA-N 385.921 2.904 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2)c1 19666394 UPKHEBILFSAFQL-UHFFFAOYSA-N 377.444 2.926 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19687641 ILCJDPZUQVIARS-HXUWFJFHSA-N 376.416 2.518 0 40 GFAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CCc4ccncc4)CC3)c2c1 20745608 DCGWXTSFTZIMCK-NRFANRHFSA-N 378.476 2.857 0 40 GFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CCCCC1 22618501 VYOUFNXUIKENLW-GOSISDBHSA-N 390.480 2.728 0 40 GFAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCCCC2)CC1 22781135 WQJFNVVZZMOCFJ-GOSISDBHSA-N 396.535 2.759 0 40 GFAB C[C@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)c1c[nH]c2ccccc12 23367641 ABTHBFKHULRCOW-NSHDSACASA-N 383.477 2.876 0 40 GFAB CC[C@@H]1CCCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 23979525 FEVIPFYKVCFFBV-MRXNPFEDSA-N 389.521 2.639 0 40 GFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 24761693 HCCADMMYGKCBED-MRXNPFEDSA-N 377.400 2.672 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1(c2ccccc2)CCCCC1 25251485 GPGWILJYOYGCEY-SFHVURJKSA-N 378.538 2.819 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 26288684 ZTJRBBSJGILMFK-UHFFFAOYSA-N 393.491 2.807 0 40 GFAB CCOC(=O)N1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 32758109 NCHFDYCNWRLRFG-SFHVURJKSA-N 378.513 2.806 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 32835379 PBEGXDLKZMOMRE-GOSISDBHSA-N 391.880 2.827 0 40 GFAB COc1cc(OC)c(OC)cc1CNc1ccc2nnc(C(F)(F)F)n2n1 32869604 JEIQEHYNDRIVAZ-UHFFFAOYSA-N 383.330 2.781 0 40 GFAB Cc1nnc(COC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)o1 32911219 HETWSCCKILYJLW-NSHDSACASA-N 387.339 2.943 0 40 GFAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 33806862 FJRGEJPSQYJVJO-UHFFFAOYSA-N 384.194 2.826 0 40 GFAB CC[C@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccn1 35291587 VJDYLVMHZQHUMK-WFASDCNBSA-N 375.498 2.830 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)Cc3ccc(Cl)cc3)ncn2)n1 35597295 VBJJASUANOFDGK-UHFFFAOYSA-N 384.871 2.703 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 36832411 JPYAPUCLVBSVBF-QGZVFWFLSA-N 379.460 2.814 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 40033535 XTNAEZHLWHITRC-JKSUJKDBSA-N 378.428 2.800 0 40 GFAB NC(=O)N[C@@H](CC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccccc1F 40068679 IGUYATVBCSRYBL-KRWDZBQOSA-N 385.443 2.949 0 40 GFAB COC(=O)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 40072272 FFRRDSOILGDUMA-MRXNPFEDSA-N 386.473 2.798 0 40 GFAB COc1ccc(OC)c2c1CN(Cc1csc(-c3ncccn3)n1)C[C@H]2O 40153582 KOZWAPZCNCYVPY-CQSZACIVSA-N 384.461 2.667 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)cc1 41348780 QVGISHKSELKHRP-UHFFFAOYSA-N 392.908 2.838 0 40 GFAB Cn1cc(-c2nc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)cs2)cn1 45018205 BRJTZYYCIRLYAH-INIZCTEOSA-N 397.460 2.913 0 40 GFAB Cc1ccc(NC(=O)N2CCOC[C@@H]2C)cc1NC(=O)N1CCOC[C@H]1C 46063702 VRUKOGUCXFTNGK-LSDHHAIUSA-N 376.457 2.500 0 40 GFAB COc1cccc2c1N(C(=O)Cc1c(C)nc3nc(SC)nn3c1C)CCC2 47447497 CTVJBWPTIRYGCE-UHFFFAOYSA-N 397.504 2.994 0 40 GFAB CCOc1ccc(NC(=O)Cn2nc3c4ccc(Cl)cc4ncn3c2=O)cc1 62006718 BDSHPDZHLZLQEA-UHFFFAOYSA-N 397.822 2.735 0 40 GFAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 63764990 YVDBPBOAEVKDFK-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB NC(=O)C1CCN(c2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)CC1 67262664 CTJVVMCKRYARIW-UHFFFAOYSA-N 390.422 2.785 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640095 DLKDAITUAXKZHY-HNNXBMFYSA-N 377.359 2.998 0 40 GFAB CC(C)OC(=O)Cn1nc2nnc(-c3ccccc3)c(-c3ccccc3)n2c1=O 72339939 YLBXFIUYSISIMR-UHFFFAOYSA-N 389.415 2.572 0 40 GFAB CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)c2cccc3cccnc23)C1 72374018 ZJVQGERTHICYFD-KRWDZBQOSA-N 376.464 2.639 0 40 GFAB Cc1nccn1-c1cncc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 72378748 PWDZOFDCIYJAKT-QGZVFWFLSA-N 387.440 2.636 0 40 GFAB O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)NCC1CCSCC1 95959263 WTHNSVVWCGBFDK-QGZVFWFLSA-N 377.510 2.747 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3c3ccnc(-c4ccccc4)n3)no2)cn1 96001713 JBCUIZKTEXTUKW-INIZCTEOSA-N 389.419 2.505 0 40 GFAB CCOc1ccc(CC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1 96099501 XZMFWDUPGVVLPS-UHFFFAOYSA-N 391.489 2.827 0 40 GFAB Cc1nc2ncccc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12 96115451 VAHPGPZQHLOTFF-UHFFFAOYSA-N 389.459 2.720 0 40 GFAB biogenic O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCc1cccnc1 96231854 MXCJJWVZFITOEY-UHFFFAOYSA-N 376.441 2.904 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc(F)c1 96520158 ZUJKRYORPCJBLT-NXEZZACHSA-N 392.617 2.621 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3N3CCCN23)cc1 102684607 RNJVDKSWQXFFLJ-HSALFYBXSA-N 377.444 2.539 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2c1 103015908 SGBWHQPGOWULDS-BETUJISGSA-N 385.445 2.585 0 40 GFAB COc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2cnc(OC)nc2OC)C3)c1 105717157 ALNPYYWVWPVBJH-HOTGVXAUSA-N 385.464 2.517 0 40 GFAB C[C@H](C(=O)NCCSC(C)(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957361 VMWCXLZNJZHESM-LLVKDONJSA-N 394.509 2.767 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 218566764 JZWLTCJZSATAHA-QYZOEREBSA-N 379.909 2.780 0 40 GFAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)N(C)C 223244239 ABIUBWRBUTYRQM-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(C)=O)c1 223257441 CAPCYABTFXSGHM-UHFFFAOYSA-N 395.433 2.724 0 40 GFAB Cc1ccccc1-c1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)n[nH]1 223323232 UZYQZXVOGZIKPH-UHFFFAOYSA-N 384.417 2.929 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 223798994 SEUDNXFJFIONMT-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cccc2c1OCCO2 225736570 XTQBUJMFGZJRJN-UHFFFAOYSA-N 394.475 2.525 0 40 GFAB N[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495745 GPGFIWGTIGBEPS-SQWLQELKSA-N 386.256 2.715 0 40 GFAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(C(=O)c1cocn1)CC2 247832751 HYQPSKMQAGNTDK-MRXNPFEDSA-N 375.494 2.737 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cccs4)C[C@H]32)c(OC)n1 247904104 WSBXVIBJOGEHFY-VVFCZOMOSA-N 375.494 2.675 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ncccc1F 249695825 ROEUYUBQROEGCE-HNNXBMFYSA-N 386.489 2.601 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cc[nH]n3)CC2)ncn1 257233445 GPHHFDZPKJSRPF-OAHLLOKOSA-N 380.452 2.957 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cn(C)cn3)CC2)ncn1 257242939 IEUOKXQLQCMGIL-MRXNPFEDSA-N 394.479 2.967 0 40 GFAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257343807 ZUMQXKCVBKBTGR-IBGZPJMESA-N 378.432 2.891 0 40 GFAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N[C@@H](C)c4ccccc4)C3)ncn2)n1 390826244 GHKZRHMUPNCJCZ-INIZCTEOSA-N 376.464 2.593 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCC2)cc1Cl 408597952 WYKNFBGLOQVSFY-GFCCVEGCSA-N 388.917 2.854 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)c1 408616391 YMQGSNUAVKLSLY-OAHLLOKOSA-N 377.444 2.879 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccc1OC(C)C 408709827 XOLWFUFCLZJSKY-UHFFFAOYSA-N 397.475 2.867 0 40 GFAB Cc1cnc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)s1 409158621 UGGGXJIKVXBTGX-UHFFFAOYSA-N 380.886 2.808 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCN(c2ccccc2Cl)CC1 518805886 BBWFRJCMPCDMSX-UHFFFAOYSA-N 396.882 2.597 0 40 GFAB C[C@H]1OCC[C@@]12CN(C(=O)Nc1ccc3c(c1)CN(CC(F)(F)F)C3)CCO2 562624557 IRNAZCLOJUSCRX-FZKQIMNGSA-N 399.413 2.976 0 40 GFAB O=C(c1cn(C2CCOCC2)nn1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 579584793 WKJDBTVBTHZBTG-UHFFFAOYSA-N 394.479 2.601 0 40 GFAB CCC[C@@]1(CO)CCN(C(=O)C2CCN(C(=O)c3ccc(CC)o3)CC2)C1 585085220 WXTTVKPJMJROSU-OAQYLSRUSA-N 376.497 2.705 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 585110388 OHWYRAYARHLCRP-UHFFFAOYSA-N 375.423 2.656 0 40 GFAB O=S(=O)(c1csnc1-c1cccc(C(F)(F)F)c1)N1CC[C@@H](O)C1 630095936 NSZUZLWSCJCXFR-LLVKDONJSA-N 378.397 2.584 0 40 GFAB C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(-c2ccccc2)cc1 635112008 KGRRCSLSSHVOAY-DQLDELGASA-N 388.471 2.961 0 40 GFAB Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CCCc2sccc2C)C3)nc(C)n1 1615610321 ANXWWYYPBFBQHT-VPWXQRGCSA-N 398.532 2.815 0 40 GFAB Cc1cc(C(=O)N2CC[C@H]3NC(=O)c4ccccc4OCCC=CC[C@H]3C2)no1 2037844533 WKIKZNDKSGJEPA-FUHWJXTLSA-N 395.459 2.973 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 103022593 FQVVHTRPHPYZLG-NRFANRHFSA-N 388.471 2.691 0 40 GFAB COc1cccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1OC 22024344 REUXJWDEMWDPAF-UHFFFAOYSA-N 380.326 2.695 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 800532 YNVILTTZTLYDJL-INIZCTEOSA-N 396.443 2.847 0 40 GFAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2Oc2ccccc2)n(C)c1=O 7416619 UHTZWTLGQYDVEZ-UHFFFAOYSA-N 396.834 2.928 0 40 GFAB O=C(CN1CCN(Cc2ccccc2)CC1)NCCc1nc2ccccc2s1 22914863 SSWGZIFLEVJJPI-UHFFFAOYSA-N 394.544 2.773 0 40 GFAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCc2sccc2C1 22946615 KQTKRKMSFDQJNS-GFCCVEGCSA-N 382.441 2.720 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C)c2ccccc2c1=O 8806871 LPFHCQIYBHEDGM-CQSZACIVSA-N 379.416 2.909 0 40 GFAB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 101344929 WZYOORBBJIMWMJ-ZRNYENFQSA-N 392.430 2.969 0 40 GFAB COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4nccs4)ccc23)cc1 22610810 OTJXMKYEGAVKCG-UHFFFAOYSA-N 390.428 2.869 0 40 GFAB C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1CCCO1 43823655 QYKHPJVJRHCVDX-SWLSCSKDSA-N 376.482 2.822 0 40 GFAB CC(C)[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1nc2ccccc2[nH]1 57355109 LNBWMNNCPOZBES-FQEVSTJZSA-N 378.432 2.802 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1COc2ccccc2O1 26770038 YKAYTAVEFNKKNB-SFHVURJKSA-N 377.444 2.988 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(SC)cc3)n2)cc1 104571199 AHNSPJGHTNMETB-UHFFFAOYSA-N 391.474 2.946 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccc(NC(=O)c2ccccn2)cc1 48248164 QRBHRMCWVGCLFR-UHFFFAOYSA-N 398.426 2.845 0 40 GFAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(C)cc2)n1 27743090 RMZZWSCYQQAYLJ-UHFFFAOYSA-N 384.255 2.593 0 40 GFAB CCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)NCCC)c2)s1 12745198 HPMZTYCCWHLMID-UHFFFAOYSA-N 382.511 2.821 0 40 GFAB O=C(c1cccc(CNC(=O)C(F)(F)Br)c1)N1CCCCC1 58330944 YQNNLWBOXJLCGR-UHFFFAOYSA-N 375.213 2.917 0 40 GFAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 100753676 UOWFZLFIYGXRIV-KQHSUYLTSA-N 386.521 2.885 0 40 GFAB Cc1nonc1NS(=O)(=O)c1cc(Br)ccc1Br 28248989 AWCJDDLNKVDBNR-UHFFFAOYSA-N 397.048 2.704 0 40 GFAB O=C(NO[C@H]1CCCCO1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 60333072 UAPMCBJQAGXIDT-KRWDZBQOSA-N 394.424 2.815 0 40 GFAB Cn1c(C(=O)O)c([C@H](C(=O)O)N2CCN(c3ccccc3)CC2)c2ccccc21 36360301 JJWYJNZMOAMZHJ-HXUWFJFHSA-N 393.443 2.824 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cc2c(cc1Cl)OCCO2 29273431 GVACKGDIOIFTCM-UHFFFAOYSA-N 391.763 2.635 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccccc1OC(F)F 12826744 JBMFRXDSVUITLV-UHFFFAOYSA-N 376.359 2.720 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 12928717 MLXIWUBRYVXMMK-HNNXBMFYSA-N 388.489 2.602 0 40 GFAB CCCCc1ccc(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 8703853 FNOFRPHVKUORNN-UHFFFAOYSA-N 392.507 2.597 0 40 GFAB CCc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 4251116 RSFPMBXEYZFJHD-UHFFFAOYSA-N 385.427 2.895 0 40 GFAB CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 5175919 PTIWFIYCNJTJAX-UHFFFAOYSA-N 387.288 2.930 0 40 GFAB CC(C)Cn1c(SCC(=O)Nc2ccccc2)nnc1N1CCOCC1 14023572 HRRZZHCZQHCVEC-UHFFFAOYSA-N 375.498 2.502 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 14020006 HZCBILDGMKKULN-UHFFFAOYSA-N 382.445 2.646 0 40 GFAB C[C@H]1CCCN(C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)C1 19424592 WOGLTDCXCMPARD-AWEZNQCLSA-N 379.507 2.597 0 40 GFAB COCCn1ccc2c(NC(=O)Cn3ncc4c(c3=O)CCCCC4)cccc21 71285319 OPQRSVVXMBCKCQ-UHFFFAOYSA-N 394.475 2.752 0 40 GFAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 22350808 GWUKAVQZQRLXPZ-UHFFFAOYSA-N 378.469 2.933 0 40 GFAB CCOc1ccccc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 9112297 VDWJPHBTZDDCMK-UHFFFAOYSA-N 390.505 2.843 0 40 GFAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)Nc3ccc(N(C)C)cc3)C2=O)cc1 9111463 MNKVMWZPUVYWRJ-QGOAFFKASA-N 394.431 2.730 0 40 GFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 4704827 YDSWNZRFBGGFDN-CNOAHFENSA-N 395.433 2.700 0 40 GFAB FC(F)(F)c1nnc2ccc(N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)nn12 118492916 UDXAEEPXFHIWPW-HUUCEWRRSA-N 388.397 2.711 0 40 GFAB Cc1ccccc1N(CC(=O)NCCc1c[nH]c2ccccc12)S(C)(=O)=O 9516713 LPPVHYXRAYKDIO-UHFFFAOYSA-N 385.489 2.601 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2ccc(F)cc2)CC1 6955041 SZMFEPOZYYIFCK-UHFFFAOYSA-N 385.439 2.902 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408594429 RSKBHTZCABCROT-CQSZACIVSA-N 392.477 2.790 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 67106170 KCLHTFSHRLKYKO-IUODEOHRSA-N 387.802 2.749 0 40 GFAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)N1CCCCCC1 7095198 DZFWBMKLNXSOAT-AWEZNQCLSA-N 397.504 2.992 0 40 GFAB Cc1ccc(N2C(=O)N[C@@](NC(=O)c3ccccc3)(C(F)(F)F)C2=O)cc1 9332777 MARFSXLIQFTHFZ-QGZVFWFLSA-N 377.322 2.740 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccccc1 8009506 QTYYEGVCRJCRCC-UHFFFAOYSA-N 376.460 2.878 0 40 GFAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(-c2ccccc2)cc1 16629519 IBQSHQZEWFWWHJ-OAQYLSRUSA-N 393.487 2.615 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 8395077 QAFFFSYNWYULGB-FQEVSTJZSA-N 383.467 2.929 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C 95998564 TWEKWLJXFHFFNF-IBGZPJMESA-N 397.454 2.884 0 40 GFAB CC1(C)CCC(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)(C(N)=O)CC1 89919230 VXOZYEPGJOHAKZ-UHFFFAOYSA-N 391.556 2.792 0 40 GFAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)NC(C)C 408701274 VHNGDNILJDEIJU-UHFFFAOYSA-N 390.505 2.745 0 40 GFAB C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 29510302 MIXIPCQGRNIAJG-LSDHHAIUSA-N 384.929 2.999 0 40 GFAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(C(N)=O)cc1 32924153 ISXUDMNKYWUQPM-SNVBAGLBSA-N 395.228 2.771 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CCOc2cccc(C(=O)OC)c2)C1=O 60086093 OTUSWLSZMFGVAZ-OAQYLSRUSA-N 382.416 2.709 0 40 GFAB COc1cc2c(cc1OC)CCN(C(=O)c1cc3ccccc3c(=O)n1C)CC2 506737590 YNELQUONJWTUCG-UHFFFAOYSA-N 392.455 2.797 0 40 GFAB O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCC[C@@H](N2CCCC2=O)C1 517701731 SAQVRGJWGMMXFQ-CQSZACIVSA-N 399.472 2.766 0 40 GFAB COc1c2c(c(NC(=O)CCc3c(C)noc3C)c3c1OCO3)CCN(C)C2 32123860 HREVWYBNJRGFQH-UHFFFAOYSA-N 387.436 2.588 0 40 GFAB biogenic CC1CCN(C(=O)Cn2cc(/C=C3\NC(=S)N(C)C3=O)c3ccccc32)CC1 39556652 TYPWSZUGXMYNJC-BOPFTXTBSA-N 396.516 2.587 0 40 GFAB O=C1S/C(=C\c2ccccc2)C(=O)N1CCC(=O)N1CCCC[C@H]1CCO 33586011 OPISTLJTCJWDJU-GDGUIRGDSA-N 388.489 2.877 0 40 GFAB CCOc1ccc2nc(N3CCN(C(=O)c4nn(C)cc4C)CC3)sc2c1 38488111 XRHHTRJWNNYQRL-UHFFFAOYSA-N 385.493 2.699 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 219138147 IVMBIERVAXVCDS-MRXNPFEDSA-N 380.444 2.955 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(OC)c3)c3ccccc3n12 64871610 UFRZEEJEBWUZJH-UHFFFAOYSA-N 391.431 2.644 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)c1 70636163 VAWOAGYNTSYVOT-SFHVURJKSA-N 387.457 2.869 0 40 GFAB CO[C@H](CN1CCN(C[C@@H](O)[C@@H](OC)c2ccccc2)CC1)c1ccccc1 30691529 VSTNNAYSCJQCQI-ZLNRFVROSA-N 384.520 2.740 0 40 GFAB in-man COc1ccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)c4cnn(C)c4)C3)n2)cc1 72384310 HLLWJVIDMIKMLV-OAHLLOKOSA-N 393.447 2.949 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 72339090 FKCUFWNDTOMWDZ-PSHPWPFNSA-N 397.519 2.543 0 40 GFAB Cc1ccc2c(c1)N(C(=O)CN1C(=O)C(c3ccc(F)cc3)=NC1(C)C)CCO2 71769044 SPUGRGCMHMNTNB-UHFFFAOYSA-N 395.434 2.927 0 40 GFAB CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 225403907 KOSQPHAJHWUXBJ-MRXNPFEDSA-N 375.446 2.742 0 40 GFAB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(C(=O)O)ccc1C 226857243 AJEOMHIUYMFWTO-UHFFFAOYSA-N 377.418 2.997 0 40 GFAB CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223989124 UYXXHDYRVFJSQV-UHFFFAOYSA-N 398.525 2.555 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)cc1 40388998 ITVIHWIKPMIVTI-ZFWWWQNUSA-N 395.463 2.522 0 40 GFAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C)c1C 223719182 JSMTUCQIMRFJOS-OALUTQOASA-N 386.521 2.963 0 40 GFAB Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1 334160862 NTZYMLDBNZFXPS-UHFFFAOYSA-N 389.462 2.603 0 40 GFAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc2ccccc2s1 96231343 KANBVGHJZVZMMJ-AWEZNQCLSA-N 380.429 2.746 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 96242930 YHBLBMNYRQXZSW-MRXNPFEDSA-N 394.537 2.605 0 40 GFAB Cc1cc(S(=O)(=O)Cc2nnnn2Cc2ccccc2)nc2ccccc12 584271515 KFBPZWXPRDZWRW-UHFFFAOYSA-N 379.445 2.552 0 40 GFAB COCC(=O)N1CCC2(CC1)C[C@@H](Cc1ccc(F)cc1)N(CC(C)C)C2=O 257283180 OXBSWBOGYIJDPC-LJQANCHMSA-N 390.499 2.880 0 40 GFAB CN1CCCCC[C@@H]2N(C(=O)c3ccc(=O)[nH]n3)[C@H](Cc3ccccc3)C[C@@]21C 257308915 TYSMTJSDGIBOSJ-RFWXGWTQSA-N 394.519 2.860 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1cccc(OC)c1 257220066 DJJRGISEBNUWHW-NQIIRXRSSA-N 396.491 2.618 0 40 GFAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(F)c(Cl)c1 24438093 WEZRUXMFGWUKCS-UHFFFAOYSA-N 392.814 2.969 0 40 GFAB C[C@@H]1O[C@H](C)C[C@H]1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 630195862 VSKDQUYJRLUIRA-MOEWQIFZSA-N 396.281 2.889 0 40 GFAB COCC1(C2CC2)CN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)C1 636599488 QKUSFXLECFDNFX-UHFFFAOYSA-N 399.535 2.678 0 40 GFAB CC(C)c1nc(-c2ccccc2N2CCC(=O)NC2=O)n(-c2ccccn2)n1 65422709 YFEGYYHXKNAXBB-UHFFFAOYSA-N 376.420 2.899 0 40 GFAB COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccc(C(=O)O)nc3)s2)c1 609100285 PFXCKUQGLAKYSR-UHFFFAOYSA-N 397.412 2.866 0 40 GFAB O=C1CCN(c2ncc(-c3cc(F)ccc3OCC(F)(F)F)cn2)CCN1 623169157 LOYHGVKUIFTHOD-UHFFFAOYSA-N 384.333 2.550 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)OC 96384823 POCHYFAELFIIRQ-LJQANCHMSA-N 391.489 2.535 0 40 GFAB COC[C@@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1C(=O)c1cscn1 585103520 IGIRBRFHFUCCIX-AWEZNQCLSA-N 395.500 2.505 0 40 GFAB CC(C)CCN1CC[C@H]2[C@H](CC(=O)N3CCC4(CCOC4)CC3)OC[C@H]2C1 585109447 PPIUQHAAWAORCV-AQNXPRMDSA-N 378.557 2.789 0 40 GFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(C)Cc1ccccc1F 96794931 OURFMDCUVMQQPI-HNNXBMFYSA-N 392.496 2.881 0 40 GFAB COC(=O)N1CCC(NC(=O)c2csc(-c3ccccc3OC)n2)CC1 58856741 INNIMIRDGPKPET-UHFFFAOYSA-N 375.450 2.779 0 40 GFAB Cc1c(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cnn1C 1615122590 PTKDLTXBTDLPIA-NRFANRHFSA-N 386.471 2.656 0 40 GFAB Cc1nn(CC(=O)N2CCc3ccccc3C2)c(=O)c2cc3ccsc3n12 12114240 BQRMQTWVKNMMTD-UHFFFAOYSA-N 378.457 2.604 0 40 GFAB C[C@H]1CN(C[C@H](O)COc2c(F)cc(Br)cc2F)C[C@@H](C)O1 13301835 MEDVQDWRNABAKE-UMNHJUIQSA-N 380.229 2.576 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715374 LCWTYCXIEAWMEB-SFHVURJKSA-N 378.469 2.995 0 40 GFAB COc1cccc(CN2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 19018403 KYVUJIKHMRNMBX-SFHVURJKSA-N 380.492 2.769 0 40 GFAB Cc1cnc(C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cn1 19238833 JHGTZMGMQXOTPY-UHFFFAOYSA-N 395.488 2.692 0 40 GFAB COCc1ccc(C(=O)N2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1 19239167 ZVSSNCOFCHRRNH-INIZCTEOSA-N 379.420 2.611 0 40 GFAB CC(C)Oc1cc(CCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)on1 19450509 FDUNIHHPQPUAOT-KRWDZBQOSA-N 399.491 2.857 0 40 GFAB Cc1cc(=O)n(CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c2ccccc12 19566561 KQVYIYXXNKIULE-UHFFFAOYSA-N 391.427 2.694 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2csc(C)c2)C3)CC1 19571940 FTUMVENRGHPBBK-UHFFFAOYSA-N 384.505 2.771 0 40 GFAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COC)nc(C2CC2)n1 19592097 STBXBFXUSBWZOU-QGZVFWFLSA-N 379.464 2.923 0 40 GFAB Cc1nc(N2CCCCC2)ncc1C(=O)NC1CCN(Cc2ccccn2)CC1 19714790 ZXYDSDHJAUKRFS-UHFFFAOYSA-N 394.523 2.565 0 40 GFAB CNc1cc(CN(C)CC2=Cc3cc(OC)ccc3OC2)nc([C@@H]2CCCN2)n1 19759853 WZVCNKPZUIIQBS-IBGZPJMESA-N 395.507 2.859 0 40 GFAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(Cc3ccccc3)CC1)C(=O)C2 19972761 PMKBLFJSSLFUQR-WIYYLYMNSA-N 390.549 2.529 0 40 GFAB COc1cccc(-c2nccc3ccn(CC(=O)N4CCCN(C)CC4)c23)c1 12134706 RIBVUEFSFTZWNI-UHFFFAOYSA-N 378.476 2.876 0 40 GFAB Cc1cc(C)nc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 12188737 AUIFAZZRTWJURW-UHFFFAOYSA-N 386.930 2.709 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc2c(cc1Cl)OCCCO2 11003325 QDXFCWKZSOUFES-UHFFFAOYSA-N 386.791 2.736 0 40 GFAB COC(=O)c1ccc2nnn(OCc3ccc(OC)c(Br)c3)c2c1 8223967 ABHPHSIGGZNGOG-UHFFFAOYSA-N 392.209 2.618 0 40 GFAB Cc1csc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037988720 FXZGUPCTGZHXOP-LJQANCHMSA-N 375.469 2.989 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(C)n4n3)cc2)cc1 4270271 CKVNLOQDGLOVCM-UHFFFAOYSA-N 395.444 2.909 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cc(-c3ccco3)cs2)cc1C(N)=O 1775968364 DDGXRSZLAFQMHN-UHFFFAOYSA-N 392.458 2.594 0 40 GFAB COCc1cn([C@H]2CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)nn1 585149736 UCFIZWYROKDXMV-ZDUSSCGKSA-N 385.251 2.584 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1cnc3cc(C)nn3c1C)O[C@@H](C)C2 25387355 GTTJZTRYKRZGAU-ZDUSSCGKSA-N 380.448 2.998 0 40 GFAB O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 63386313 ACMOGKXGKBBCOW-ROUUACIJSA-N 396.940 2.877 0 40 GFAB COC(=O)c1ccccc1NCC(=O)NCCc1ccc(OC(F)F)cc1 40007846 ZIGKOZNOFUFDLU-UHFFFAOYSA-N 378.375 2.845 0 40 GFAB O=C(CNc1cccc(Cl)c1N1CCOCC1)NCCOc1ccccc1 40061449 AARUHJRKJNGUDU-UHFFFAOYSA-N 389.883 2.784 0 40 GFAB CC(C)c1ccc2cc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)[nH]c2c1 40154406 VLKKTERSJPWXER-CQSZACIVSA-N 377.510 2.693 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1Cl 31378747 BIGOVWGNZGJGIP-MRXNPFEDSA-N 384.823 2.955 0 40 GFAB O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCNCC1 20432366 XPYVPGQBQGQUHO-UHFFFAOYSA-N 388.114 2.740 0 40 GFAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CCc4ccccn4)CC3)c2c1 20744437 XKEMHLQAUVMUNT-OAQYLSRUSA-N 378.476 2.857 0 40 GFAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(c2ccc3nnnn3n2)CC1 32779356 SFTDSIYCPLRXBS-QGZVFWFLSA-N 398.442 2.612 0 40 GFAB CN(Cc1ccsc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32712550 ABRFSVNKPYBOKI-INIZCTEOSA-N 378.519 2.807 0 40 GFAB C[C@@H](NC(=O)CSc1nc(-c2ccco2)n[nH]1)c1ccc2c(c1)OCCO2 32873579 WZTIIAAANDGZFD-LLVKDONJSA-N 386.433 2.805 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)NCc2ccco2)cc1 32905422 ADLHPLMNNRDNCS-UHFFFAOYSA-N 376.412 2.865 0 40 GFAB CCc1ccc(NC(=O)c2nnc(COC(=O)c3cnc(C)cn3)s2)cc1 32922248 LABOLZPPQHXORZ-UHFFFAOYSA-N 383.433 2.808 0 40 GFAB COc1ccc(CNC(=O)Cn2nnc(-c3ccc(OCC(C)C)cc3)n2)cc1 878281 FDQIBAJXNMDRHE-UHFFFAOYSA-N 395.463 2.700 0 40 GFAB CC(=O)OCc1c(C(F)(F)F)nn(C)c1S(=O)(=O)c1ccc(Cl)cc1 1391441 ZAPZSXYGSPGICU-UHFFFAOYSA-N 396.774 2.988 0 40 GFAB CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2103783 RTDPOGLPMCJFGU-HIFRSBDPSA-N 375.421 2.855 0 40 GFAB biogenic CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2153214 PAAMQQBUSSMOMF-ZMZPIMSZSA-N 375.421 2.658 0 40 GFAB biogenic CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C)C[C@](C)(CC)OC3 2331813 IAAQNBMFXWTLCE-KRWDZBQOSA-N 382.507 2.892 0 40 GFAB CC(C)(C)c1nnc2sc(SCC(=O)NCC3CCCCC3)nn2c1=O 3343141 LBTDLNXFPVSYDD-UHFFFAOYSA-N 395.554 2.632 0 40 GFAB O=c1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2sccn12 3352159 YJGUTFAUELEVPZ-UHFFFAOYSA-N 386.414 2.827 0 40 GFAB O=C(NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 3411988 QHQQIRZRYOEUDY-UHFFFAOYSA-N 391.393 2.784 0 40 GFAB CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 4000430 WKDRXWNFPLRDNZ-FZMZJTMJSA-N 393.871 2.566 0 40 GFAB biogenic Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4F)cnc32)cc1C 4166099 JFMABNKSNUJHMB-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB O=C(C(=O)N1CCCCCC1)c1cn(CC(=O)N2CCCC2)c2ccccc12 4271990 JNLWCYARQXGOTG-UHFFFAOYSA-N 381.476 2.849 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1NC(C)=O 4742208 IPDWYVMHSPKWMM-UHFFFAOYSA-N 394.449 2.862 0 40 GFAB O=C1c2ccccc2C(=O)N1CCN1c2cccc3cccc(c23)S1(=O)=O 4807060 NYNORNDCWUIQOK-UHFFFAOYSA-N 378.409 2.645 0 40 GFAB CCn1nnc2cc(C(=O)OCC(=O)c3cc(C)n(CCCOC)c3C)ccc21 5805243 HMIYVCWDOVVIMR-UHFFFAOYSA-N 398.463 2.946 0 40 GFAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 5825543 VTUBHADBCXCYLY-JEOJHICDSA-N 385.460 2.737 0 40 GFAB aggregator,biogenic CCOc1cc(C=NNc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC 5872121 SXZLQFHFBOFLHD-UHFFFAOYSA-N 383.857 2.841 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 6852324 BHLSTLFLQZOHII-UHFFFAOYSA-N 386.395 2.886 0 40 GFAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)c1O 6948575 MHAWZYUOIHDYHX-UVTDQMKNSA-N 378.450 2.696 0 40 GFAB CCOc1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1OCC(C)C 7779080 IXIRXMOVDMHFNC-UHFFFAOYSA-N 384.480 2.873 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC1(CC(=O)O)CCCCC1 8751028 IWANRLTUPQRSHC-UHFFFAOYSA-N 396.509 2.999 0 40 GFAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 9036007 BVOJFYACQPARCJ-CQSZACIVSA-N 392.452 2.556 0 40 GFAB COc1ccc(Cc2n[nH]c(SCC(=O)Nc3nc(C)cs3)n2)cc1 9306162 JBCYXJNKTZUYCR-UHFFFAOYSA-N 375.479 2.900 0 40 GFAB O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 9340350 BPZZDBQQMFSIDK-UHFFFAOYSA-N 394.258 2.837 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)ccc21 10288210 SCUAWDVCCVAZKY-CQSZACIVSA-N 390.427 2.813 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CCc1ccccc1 10970968 HSGPZBRKSIZOEY-INIZCTEOSA-N 379.460 2.842 0 40 GFAB COc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc(OC)c1OC 11556100 IZVYIVJBVYHTQZ-UHFFFAOYSA-N 381.432 2.871 0 40 GFAB COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c1 12330110 DIXBVXAXHALXCO-VQTJNVASSA-N 385.460 2.785 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 12789042 QVKSFPSUDOEDJA-AUUYWEPGSA-N 388.489 2.535 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)sc2c1 12944992 SGBWHQPGOWULDS-STQMWFEESA-N 385.445 2.585 0 40 GFAB Cc1ccc(C(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cn1 13227200 DXQUGDRBYLSQTD-UHFFFAOYSA-N 375.432 2.967 0 40 GFAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1CO 13691916 WVVFLXLYMPNREC-UNMCSNQZSA-N 394.515 2.943 0 40 GFAB O=C(C[C@@H]1NC(NCc2ccco2)=NC1=O)Nc1ccc(Cl)c(Cl)c1 13723949 JVXVZWLOABGWQP-ZDUSSCGKSA-N 381.219 2.559 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)Nc1ccc2c(c1)OCO2 15009088 DCMFKIOSDWRDQX-APSNUPSMSA-N 398.396 2.796 0 40 GFAB COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)O 15260515 ANVRJDBUSZMTJW-ZROIWOOFSA-N 390.461 2.549 0 40 GFAB CCOC(=O)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 15862933 LKXZJXURBDKZFT-UHFFFAOYSA-N 395.872 2.722 0 40 GFAB COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccccc4OC)C3=O)c2c1 18088218 GGRLZSHZCKKBDQ-GOSISDBHSA-N 393.443 2.649 0 40 GFAB COc1cccc(-c2nnn(CC(=O)N(Cc3ccccn3)C3CCCC3)n2)c1 19566833 DLIYNJDSPQEXPX-UHFFFAOYSA-N 392.463 2.715 0 40 GFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)COC)C1 19591110 CTBXYHGYOAKADZ-OAQYLSRUSA-N 386.517 2.959 0 40 GFAB Cc1nc2cc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)ccc2n1C1CCCCC1 19663700 HWHIFHBWVXLIAC-MRXNPFEDSA-N 397.523 2.986 0 40 GFAB CCCNC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 22231476 OEMFPGPJFZUIAX-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB CCc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O 22273222 UYUNCQJXQNNRQY-UHFFFAOYSA-N 392.477 2.671 0 40 GFAB C[C@@H]1CN(CCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)C[C@@H](C)O1 24924270 FUSHYTUXGOFIJZ-HZPDHXFCSA-N 385.464 2.761 0 40 GFAB COc1ccc(CCNC(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 24948851 VOAOWWVRIUTFJS-UHFFFAOYSA-N 383.492 2.774 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(Cn2ccnc2)c1 25172548 OKIUQJRCUJAPQC-UHFFFAOYSA-N 375.436 2.557 0 40 GFAB Cc1sc2nc(CN3CCOCC3)nc(-n3nnc4ccccc43)c2c1C 25747888 QFZSJRSOVUOBGM-UHFFFAOYSA-N 380.477 2.874 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccccc2Cl)cc1 28209494 JYMKFEQMGLCCAC-MRXNPFEDSA-N 392.864 2.967 0 40 GFAB CCc1ccc(OCc2ccc(C(=O)Nc3cn(CC)nc3C(N)=O)o2)cc1 28239278 NLQIRJFRZWVIHE-UHFFFAOYSA-N 382.420 2.989 0 40 GFAB COc1cc(CNCc2ccnc(N3CCOCC3)c2)cc(Cl)c1OC 30900377 DEVIHOGJYOHKQL-UHFFFAOYSA-N 377.872 2.879 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(C)oc2nc[nH]c(=O)c12 31497364 MGPQIRWNASFFHP-UHFFFAOYSA-N 391.431 2.616 0 40 GFAB COc1ccccc1OCC(=O)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 32100888 BREBYLRRSAHACG-SFHVURJKSA-N 394.349 2.962 0 40 GFAB COc1ccccc1N1C(SCc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32640564 ZPHOHYGYLFXGEI-WBVHZDCISA-N 388.514 2.970 0 40 GFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CCCOc2ccccc2)C1=O 32741506 WQEZVJWFCNMEFU-OAQYLSRUSA-N 382.416 2.694 0 40 GFAB CC(C)c1cccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 32858445 CEIFGTUEMYFXQE-UHFFFAOYSA-N 385.445 2.801 0 40 GFAB NS(=O)(=O)c1ccsc1C(=O)OCCOc1c(Cl)cccc1Cl 32858493 PIBAQTNMJVGHGE-UHFFFAOYSA-N 396.273 2.938 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1noc(C(C)(C)C)n1 33013383 FEORQLFMUMORRL-LBPRGKRZSA-N 395.481 2.500 0 40 GFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCOc2ccccc21 33168167 VXPUSOMDDXKWNZ-INIZCTEOSA-N 386.473 2.513 0 40 GFAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 34972970 YVIHEDOREHYRKU-NRFANRHFSA-N 394.496 2.893 0 40 GFAB CCn1ccc(NC(=O)c2cc(-c3c(C)nn(CC)c3C)nc3c2cnn3C)n1 36613784 QOSPNYOKLJWIPY-UHFFFAOYSA-N 392.467 2.937 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCC1(c2ccccc2)CCOCC1 38592094 FRSRQIJGXKTBFR-UHFFFAOYSA-N 379.453 2.861 0 40 GFAB CSc1cccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)[nH]nc2-3)c1 38670642 JBDIFHATDFZIPE-ZDUSSCGKSA-N 384.461 2.829 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 43544874 WLADJIWNAZGTCW-SFTDATJTSA-N 379.504 2.832 0 40 GFAB O=C(NC1CC1)c1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1Cl 46608461 HURJBKWYEOISSA-UHFFFAOYSA-N 389.883 2.819 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)CCCn2c(=O)oc3ccccc32)ccn1 47012812 SLODFEWUFVILSK-UHFFFAOYSA-N 391.431 2.580 0 40 GFAB COc1ccc(NC(=O)CN2CCc3[nH]c4ccc(C)cc4c(=O)c3C2)cc1 48987798 HMGDUFKOKCXMQK-UHFFFAOYSA-N 377.444 2.842 0 40 GFAB O=C(c1ccccc1C(F)(F)F)N1CC(c2nc(-c3cnccn3)no2)C1 49485213 AWTKXZHMWDYMMO-UHFFFAOYSA-N 375.310 2.785 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCOc1cccc2ccccc12 55775592 DQJVNKJQSZIYGX-KDURUIRLSA-N 392.455 2.676 0 40 GFAB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 57316629 WWSFJHXCLDOZSG-UHFFFAOYSA-N 397.247 2.904 0 40 GFAB C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O)c1cc2ccccc2o1 57822466 AQQWIRMVPGRXCJ-KBXCAEBGSA-N 398.484 2.997 0 40 GFAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)on3)n2)c(OC)c1 58215011 FUUXOVBRRZRIEZ-UHFFFAOYSA-N 375.410 2.516 0 40 GFAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)cc2)n1 64359217 DDEVCMGPEKKUIJ-UHFFFAOYSA-N 397.456 2.710 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(C)c2)c1=O 64604841 NGIOEZSFWNGOTE-UHFFFAOYSA-N 376.416 2.816 0 40 GFAB O=C(Cc1nc2ncccn2n1)Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1 65156844 BSVKGLWCCOJYGS-UHFFFAOYSA-N 396.414 2.758 0 40 GFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1=O 67320453 BAHUPZURFCUSQA-UHFFFAOYSA-N 393.418 2.574 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4ncccc4C)C3)ncn2)n1 70656058 CNCISCFWZRMFAX-QGZVFWFLSA-N 391.479 2.838 0 40 GFAB Cc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980596 SWUCKISRZVWKCE-FQEVSTJZSA-N 394.471 2.913 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 72374956 XMZCERFANUKXGR-KRWDZBQOSA-N 381.480 2.679 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 72401067 CXYQFGGJQMRJLM-UHFFFAOYSA-N 384.295 2.935 0 40 GFAB O=C(COCC1CC1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 95400355 BHMRULISJAUEDS-UHFFFAOYSA-N 386.414 2.699 0 40 GFAB O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCO[C@H](c2ccccc2)C1 95479256 HJPABEJFQAAARE-SJORKVTESA-N 386.883 2.947 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1 96099694 KOAVFRUKXHXQSN-ZHACJKMWSA-N 395.477 2.593 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 96295166 RYAWCTNXSMXGIG-QNBZTBGESA-N 389.499 2.958 0 40 GFAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccco2)Oc2ccccc21 100180604 GXWPVYLBYOLOKN-HIWACDCLSA-N 380.444 2.893 0 40 GFAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CC2=O 100749012 CIWHWNOFXQKTNT-GOTSBHOMSA-N 398.503 2.845 0 40 GFAB CCOC(=O)c1c(C)nn2c(=O)cc(CN(CC)c3ccc(F)c(F)c3)[nH]c12 101025788 NHUUOPUQXQGMPQ-UHFFFAOYSA-N 390.390 2.812 0 40 GFAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 106104519 RNXNCWBMRGWJGT-RBSFLKMASA-N 392.475 2.572 0 40 GFAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccccc1-n1cnnn1 158871428 UBJIYZNHTNXTOW-UHFFFAOYSA-N 387.447 2.901 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N1CCCc2ccccc21 219440470 RKDLQUODJWMWTN-UHFFFAOYSA-N 384.457 2.591 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nnc(SC)s2)c1 223798628 IVBNMIJUCRRHLM-UHFFFAOYSA-N 379.872 2.501 0 40 GFAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1 225034548 DRTSPKITVVYQEZ-UHFFFAOYSA-N 390.505 2.658 0 40 GFAB CCOc1ccccc1S(=O)(=O)NCC1CCN([C@H]2CCSC2)CC1 225572959 PRBSAZKQYLANSB-INIZCTEOSA-N 384.567 2.581 0 40 GFAB CC(=O)N1CCc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc21 225615891 CBSPTEXRIWGPTL-UHFFFAOYSA-N 394.399 2.844 0 40 GFAB O=C(NCCn1ccc(-c2cnccn2)n1)c1ccccc1OC(F)(F)F 244955854 GCKBKNMWHVEUKR-UHFFFAOYSA-N 377.326 2.669 0 40 GFAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(N2C(=O)COC2=O)CC1 244970164 HMLIZAHKHTUTFL-UHFFFAOYSA-N 378.428 2.866 0 40 GFAB O=C(Cc1cccc(C(F)(F)F)c1)NCCn1ccc(-c2cnccn2)n1 244970209 HOBFWAKRNPDIPF-UHFFFAOYSA-N 375.354 2.718 0 40 GFAB O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 306130810 JQASEEISFDQSKC-UHFFFAOYSA-N 394.523 2.574 0 40 GFAB CC(=O)N1CC[C@@H](NC(=O)Nc2cccc3c2CCNC3=O)c2ccccc21 515521718 JDMHEEIJJJYYGO-GOSISDBHSA-N 378.432 2.592 0 40 GFAB Cc1c(C(=O)N2CCCc3occc3C2)nnn1CCOc1ccc(F)cc1 585083627 RXZSQOXQEAVMDM-UHFFFAOYSA-N 384.411 2.986 0 40 GFAB CCO[C@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C(C)C 624979871 OIOWJBKFBSDMLM-IBGZPJMESA-N 394.537 2.811 0 40 GFAB CN1CCN(c2ccc(-c3noc(Cc4ccc(O)c(Cl)c4)n3)nc2)CC1 632170974 PIUHDUMHDXJRKR-UHFFFAOYSA-N 385.855 2.833 0 40 GFAB O=C(O)[C@@H]1CCN(CC(=O)N2CCCCC2)c2ccc(Br)cc21 635018592 JEHJRWZNTNSAGX-CYBMUJFWSA-N 381.270 2.840 0 40 GFAB Cc1cn2cc(CC(=O)NC[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)nc2s1 638258160 GKPLZYCVASYSAU-MAUKXSAKSA-N 386.496 2.895 0 40 GFAB CCc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3cc4n(n3)CCCC4)CC2)cc1 649536992 PLURWKVKQMEVMZ-SFHVURJKSA-N 396.535 2.894 0 40 GFAB Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc4c(N)ncnc4c3)CC2)c1 666006383 CTBFIHCOZQNDBC-UHFFFAOYSA-N 389.459 2.509 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1 1776008629 KURMUTBWZDFMIK-UHFFFAOYSA-N 387.369 2.674 0 40 GFAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2nn(C)c4ccccc24)C3)nc1 1888922099 AOGRUJLABMMZIL-AOMKIAJQSA-N 391.475 2.993 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCn2c(COCc3cccnc3)nnc2C1 2055719508 YPIAVGQNZCRSID-UHFFFAOYSA-N 383.839 2.699 0 40 GFAB C/C(Cl)=C/Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O 678440 DYQXCUZBZMDMGX-LCYFTJDESA-N 385.855 2.581 0 40 GFAB Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)OC(F)(F)F)C[C@@]2(C)O)cc1 983434 RMOKGPATKQFTCX-LLVKDONJSA-N 388.314 2.583 0 40 GFAB CCO[C@@H](C)[C@H](Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(C(=O)O)cc1 1602390 HKPVSEKLTUCQTK-SJCJKPOMSA-N 386.404 2.927 0 40 GFAB CCn1nc(C)c(CN(C)C(=O)CCn2cc(Br)c(C)n2)c1C 2778235 QDQQDVODXKNABW-UHFFFAOYSA-N 382.306 2.836 0 40 GFAB O=C(Cc1ccsc1)OCc1cc(=O)n2cc(Br)ccc2n1 3337335 RNJBCKIBOFVJJS-UHFFFAOYSA-N 379.235 2.804 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3429253 YCAKYHVWHGMTCM-CSKARUKUSA-N 397.383 2.787 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O 3528688 ULDHPWKQTBTPON-UHFFFAOYSA-N 398.385 2.604 0 40 GFAB COc1ccc2[nH]c(C(=O)O)c(CCNC(=O)c3ccccc3C(=O)O)c2c1 4042470 GSJXBITVQVKVBZ-UHFFFAOYSA-N 382.372 2.545 0 40 GFAB biogenic CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 4704826 YDSWNZRFBGGFDN-KXUVPBGPSA-N 395.433 2.700 0 40 GFAB CC(C)(C)NC(=O)CN(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1 4861359 LLAIRRXZNPHPFQ-UHFFFAOYSA-N 391.468 2.565 0 40 GFAB COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C 5127178 NUMHPQZDFMJEDT-UHFFFAOYSA-N 398.463 2.770 0 40 GFAB COc1ccc(NC(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCCCC1 5578690 CIXSAKLNRQVVCN-UHFFFAOYSA-N 393.465 2.727 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1OC 5836803 MRPRJOXXCDYXJY-UHFFFAOYSA-N 390.367 2.738 0 40 GFAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 5989147 ZQKUESYLMDOKED-UHFFFAOYSA-N 398.459 2.782 0 40 GFAB COc1cc2c(cc1OC)CN(CC(=O)NC(=O)Nc1ccccc1F)CC2 6552774 OGUWMHWCCRHXNY-UHFFFAOYSA-N 387.411 2.549 0 40 GFAB C[C@H](OC(=O)CCc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 6975430 DZAMNVAXQUOMPM-LBPRGKRZSA-N 381.475 2.867 0 40 GFAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CCc2ccc(OC)cc2)n1 7420579 WIPGGFOPOWCMEB-UHFFFAOYSA-N 395.463 2.796 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 8187119 MIWLMYJQJXVCEY-HSZRJFAPSA-N 390.439 2.978 0 40 GFAB COC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1 8735256 AMFVPPHCAVYJSU-UHFFFAOYSA-N 396.490 2.574 0 40 GFAB O=C(NC[C@@H]1OCCc2ccccc21)C(=O)Nc1cccc(Br)c1 9577150 VHJLQOUVAJYKQN-INIZCTEOSA-N 389.249 2.818 0 40 GFAB C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1 10207905 JXPVVHWIANUQKJ-GFCCVEGCSA-N 397.447 2.776 0 40 GFAB CCn1cc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c(=O)c2ccc(C)nc21 11471932 UANACYODWIIJCC-HNNXBMFYSA-N 393.443 2.587 0 40 GFAB CCn1ncc(C(=O)N2CCC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1C 12134297 QXXUSXFLTHKFLM-OAHLLOKOSA-N 382.468 2.596 0 40 GFAB COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)OCCCO3)C1 12292258 FQQOAKRNTCAAEB-XXBNENTESA-N 399.487 2.874 0 40 GFAB CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1 12422938 BUWQACKPXOTRNO-UHFFFAOYSA-N 398.444 2.664 0 40 GFAB O=C(C[S@](=O)CC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1 12472107 YIWAHLACMVESBB-QBPOCWMRSA-N 392.496 2.598 0 40 GFAB CN1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccccc2)no1 12530073 OGSOAESCMUTTOP-HOTGVXAUSA-N 392.415 2.641 0 40 GFAB biogenic,in-vitro Cn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c(=O)n(C)c1=O 12540860 QYKMXYIVURLXKW-KRWDZBQOSA-N 396.834 2.509 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 12601478 LDPIGVAJESAQAW-IBGZPJMESA-N 380.423 2.503 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccccn2)n1 13001654 IFFVKIDSVBCZTA-UHFFFAOYSA-N 391.456 2.643 0 40 GFAB Cc1ccc(N2C(=O)N(CN3CCN(c4ccccc4)CC3)C(=O)[C@H]2C)cc1 13098100 AQZOCEMBMGDRPP-GOSISDBHSA-N 378.476 2.932 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccn2)N1Cc1ccccc1 13720176 MHCMAUUHNZQCLM-FPOVZHCZSA-N 380.469 2.931 0 40 GFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1(C)C 14182379 NGSRWZGSWBIEJS-ZWKOTPCHSA-N 394.512 2.897 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1nc2ccccc2s1 14825771 TURXXVSLLFKOQX-HXUWFJFHSA-N 392.440 2.628 0 40 GFAB CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(C)c1 17112363 ADULOBBAOOBCHI-VQTJNVASSA-N 397.544 2.886 0 40 GFAB O=C(NC[C@@H]1CCCO1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293663 HIVWISQKOVTKSM-ROUUACIJSA-N 390.455 2.801 0 40 GFAB CCN1CCN(CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 19528194 OBVTZGGLTZYQLP-UHFFFAOYSA-N 393.495 2.633 0 40 GFAB COCCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 19689667 DBPJOHIQFBYIKE-GOSISDBHSA-N 384.480 2.918 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 20357073 BGSFPFODSBYZFE-UHFFFAOYSA-N 388.489 2.539 0 40 GFAB O=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 20443805 PPMJVDCSGTUDGE-UHFFFAOYSA-N 378.925 2.932 0 40 GFAB CCOC(=O)COC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 21359890 KAWIHAJSRGTYTA-UHFFFAOYSA-N 381.384 2.719 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1C 21468881 OTJINJYGIDGWLL-UHFFFAOYSA-N 399.491 2.775 0 40 GFAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 21605222 AOUGLHCVZAGOFN-ZDUSSCGKSA-N 377.437 2.657 0 40 GFAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3csc(S(N)(=O)=O)c3)o2)cc1 21839436 HNBKPLCHZGYBGA-JTQLQIEISA-N 393.446 2.672 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccccc3F)C1=O)CC2 22609313 BKZZILTWYWLWST-QGZVFWFLSA-N 384.407 2.533 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)NCCC2=CCCCC2)cc1 23473062 XFNJKAGIHLRNRK-JOCHJYFZSA-N 385.552 2.965 0 40 GFAB COC(=O)C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C)cc1 24493747 UCRNJTPRCMWRHA-HNNXBMFYSA-N 396.365 2.596 0 40 GFAB CCc1ccc([C@H](NCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 24747460 DRMFFKOGFRYAJI-RBBKRZOGSA-N 395.503 2.815 0 40 GFAB C[C@H](C(=O)Nc1ccc(NC(=O)Cc2noc3ccccc23)cc1)n1cncn1 25295837 YMKGSCRTEIEZRG-CYBMUJFWSA-N 390.403 2.800 0 40 GFAB CCCCN(CC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 26748267 ZGMDDEZIAJCGNM-UHFFFAOYSA-N 391.287 2.591 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)Cn1c(=O)oc2ccccc21)N1CCCC1 27570055 MIWLMMWCANTFFK-GOSISDBHSA-N 395.459 2.556 0 40 GFAB CN(Cc1cccs1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 31345963 MQMNZYBISZXFNW-UHFFFAOYSA-N 393.472 2.762 0 40 GFAB Cc1ccc(O)c(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 32859798 MCRZSHAMZBMSCA-CQSZACIVSA-N 381.432 2.537 0 40 GFAB CCCCn1cnc2c1c(=O)n(C[C@H](O)c1ccccc1)c(=O)n2CC(C)C 32882968 UBNQBRSFDOQIRT-KRWDZBQOSA-N 384.480 2.549 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)C1 32901696 MLODOWNMEFSVRY-AWEZNQCLSA-N 385.439 2.915 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCCC(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325599 HZZNRXNVDGYOJJ-QGZVFWFLSA-N 389.521 2.994 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3ccnn3CC(F)F)c12 36619325 IEYJKHJFUDZHCL-UHFFFAOYSA-N 387.350 2.646 0 40 GFAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NCc1cccs1 36662687 IEDQKQCILQUQJZ-UHFFFAOYSA-N 382.474 2.656 0 40 GFAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 36877125 BMMCODLBKWTICO-NRFANRHFSA-N 383.448 2.661 0 40 GFAB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCCOc1ccccc1C 38310811 JYLXFAQWAMHCHX-INIZCTEOSA-N 394.431 2.637 0 40 GFAB CC(C)c1ccc(OCC(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)cc1 38486396 IASSONVAPIHQBL-UHFFFAOYSA-N 397.475 2.762 0 40 GFAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 39995497 AZBBXADHJYTGKR-CJNGLKHVSA-N 388.514 2.912 0 40 GFAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccncc3)n2)cc1OC 39995526 UYSYFXUYWHSWPC-CYBMUJFWSA-N 382.420 2.959 0 40 GFAB Cc1cc2nc(NCc3ccc(N4CCN(C)CC4)nc3)c3ccccc3n2n1 40071563 XPBLMKNXPYGOCJ-UHFFFAOYSA-N 387.491 2.950 0 40 GFAB COC(=O)c1oc(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1C 40086061 ZQNZLIUPNOXJTD-CYBMUJFWSA-N 383.491 2.625 0 40 GFAB CCOCc1nn2c(=O)cc(COC(=O)CSc3ccccc3)nc2s1 41077285 RHDMBXMGFFKHGO-UHFFFAOYSA-N 391.474 2.523 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCCC1 44901339 KKFDRGQTKJOYFV-HNNXBMFYSA-N 385.493 2.771 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)no1 49027026 ZZBOEMVCIVTWDP-UHFFFAOYSA-N 380.448 2.895 0 40 GFAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCS(=O)(=O)C2CCCC2)C1 54223017 FKQGLFGRPLCIQQ-WMZOPIPTSA-N 378.538 2.686 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OCC(N)=O 56160714 VALCJGNCRWSOKC-LLVKDONJSA-N 377.828 2.652 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 57997605 QIKGOPGQROVKMM-GFCCVEGCSA-N 378.450 2.566 0 40 GFAB O=C(CN1CCN(CCc2cccs2)CC1)NCc1ccc(Cl)cc1 58181357 ZBVINUBSRGEAAQ-UHFFFAOYSA-N 377.941 2.878 0 40 GFAB C[C@@H](OC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)c1ccc(F)cc1 58691021 RMHNUDFSUKGMQV-GFCCVEGCSA-N 384.338 2.939 0 40 GFAB CCNC(=O)[C@H]1CCCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 60239958 GQUJATZOIUWHLV-AWEZNQCLSA-N 390.871 2.697 0 40 GFAB CCCCc1cc(=O)oc2cc(OCC(=O)N3CCNC3=O)c(Cl)cc12 61718925 VAZTWDOZVLQLNJ-UHFFFAOYSA-N 378.812 2.720 0 40 GFAB CCOc1cc(CN2CCCn3nc(C(=O)N4CCCC4)cc3C2)ccc1O 65420934 JEANYNAXFIAZLW-UHFFFAOYSA-N 384.480 2.629 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1)c1ccccc1 70656005 QOSDKSDYYZGJDR-SJLPKXTDSA-N 376.464 2.756 0 40 GFAB Nc1nnc(CC(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)s1 72363027 PUKQMFHWJYXLDD-UHFFFAOYSA-N 396.476 2.651 0 40 GFAB COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 72363100 GNDNGVXDFDMHII-MRXNPFEDSA-N 393.447 2.880 0 40 GFAB CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)C1 72374034 LYBVMZOCDOOUGP-IBGZPJMESA-N 392.507 2.891 0 40 GFAB CS(=O)(=O)N1CCc2nc(NC(=O)/C=C/c3ccccc3Cl)sc2C1 77099822 USWSEKGZNGDHAM-VOTSOKGWSA-N 397.909 2.766 0 40 GFAB O=C(NCc1cccc2c1OCO2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 84358637 RZBPPEWAARGCLV-UHFFFAOYSA-N 387.335 2.639 0 40 GFAB C[C@@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc2c(c1)CCO2 84651761 AGCZGKPJICWFHZ-OAHLLOKOSA-N 377.444 2.977 0 40 GFAB C[C@@]1(CCCO)CCCN1S(=O)(=O)c1ccc(F)cc1Br 95454482 XLXXDYJEDQIRQC-AWEZNQCLSA-N 380.279 2.904 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099460 IIWCBKXXIQEVKS-UHFFFAOYSA-N 394.468 2.828 0 40 GFAB O=C(CCc1ccno1)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145857 HSTDBFRWAXUZGK-IRXDYDNUSA-N 380.448 2.542 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)C4CCC4)nn3c2O)C1 100234265 LZZMFADYGDYAGW-GOSISDBHSA-N 383.496 2.665 0 40 GFAB Cc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738282 YQPJHKVPMBSFSE-PMACEKPBSA-N 379.504 2.987 0 40 GFAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc(F)c1 101188602 BUIRXUKDPLWXQU-OEMYIYORSA-N 394.439 2.769 0 40 GFAB Cc1cccc(C2(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)CCCC2)c1 102638607 ADCDVFHPTYJPSX-UHFFFAOYSA-N 392.503 2.650 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc2ccc(F)cc2s1 102716523 KJEJIJLKUPAYCK-TXEJJXNPSA-N 375.425 2.939 0 40 GFAB CC(=O)c1cccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 107601970 UEEZMUKAOYTXKC-UHFFFAOYSA-N 380.853 2.947 0 40 GFAB O=C(c1ccccc1Br)N1CCC(N2C(=O)CSC2=O)CC1 206982698 DAEFRYYCAUGFSK-UHFFFAOYSA-N 383.267 2.749 0 40 GFAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2c(c1)OCO2 207997998 PSACAQVXNPJHAJ-HNNXBMFYSA-N 379.372 2.704 0 40 GFAB CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 224923240 VTOPAPKELVHGIY-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1cccs1 225123303 HIIRWICLEARTLZ-UHFFFAOYSA-N 390.280 2.879 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOCc2ccccc2)ccc1Cl 225146728 NVYONOGSQCHWMF-UHFFFAOYSA-N 383.853 2.622 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)s1 225198976 OWVSYKQVMRWXSQ-LLVKDONJSA-N 381.479 2.826 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 225283946 WYUHFGAFDFHEOZ-INIZCTEOSA-N 389.521 2.739 0 40 GFAB O=C(CCc1cccc(Cl)c1)NCCN1Cc2cc(F)ccc2OCC1=O 225771027 RUYWGEBAKAVHGL-UHFFFAOYSA-N 390.842 2.949 0 40 GFAB CC(C)C[C@]1(O)CCN(C(=O)COc2cccnc2)C[C@@H]1Oc1ccccc1 257278198 OBGGGELZXNNFPD-RBBKRZOGSA-N 384.476 2.918 0 40 GFAB CN(Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)COC1CCCCC1 257336215 YNOTWEWSPUEKDE-OAQYLSRUSA-N 376.541 2.661 0 40 GFAB COc1ccc(-c2cnc3n2C[C@]2(CCN(C(=O)c4cccn4C)C2)OC3)cc1 306124347 BNGKNYNACHNCRL-JOCHJYFZSA-N 392.459 2.712 0 40 GFAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 306136716 QAZJOJBYDDPQGC-UHFFFAOYSA-N 385.487 2.786 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1 408556869 FBILNMSBEHKPDL-CQSZACIVSA-N 392.477 2.708 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408559331 LQCVOWHOWFSIAF-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 409391077 ZUKBMHLIGRZMTC-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB NC(=O)/C=C\c1ccc(OCc2cccnc2)c(I)c1 409416199 DXVUGDJEPDEOLI-XQRVVYSFSA-N 380.185 2.764 0 40 GFAB COCCn1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)cccc21 524729091 CEUAGIWYOYMJFT-UWVAXJGDSA-N 395.503 2.761 0 40 GFAB biogenic Cc1nccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)n1 554608960 XCFRJHHEIBFHNC-UHFFFAOYSA-N 375.432 2.935 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3cnn4c3CCC4)c(C(F)(F)F)c2)CC1 579795317 YXUJPAVKOOLHRU-UHFFFAOYSA-N 393.413 2.852 0 40 GFAB Cc1ccc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1Cl 585188711 KCADXRVMPVJKEF-ZDUSSCGKSA-N 393.896 2.946 0 40 GFAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585292584 PEQNRPLJUZCIIJ-MOEXGYKKSA-N 389.463 2.686 0 40 GFAB O=C(O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)nc1 619257602 UQZIEXRSDKJUFM-UHFFFAOYSA-N 380.448 2.564 0 40 GFAB COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 634096325 UMVJMYPINAVSEU-IEBWSBKVSA-N 384.480 2.909 0 40 GFAB COCc1ncc2c(n1)CCN([C@@H](C(=O)O)c1cccc(Br)c1)C2 634693599 GQUZREBTJNJOMM-MRXNPFEDSA-N 392.253 2.570 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1 820638497 PMUMPCSAESCGGX-UHFFFAOYSA-N 379.526 2.530 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)NC1CCCC1 1775964045 PDMBFRZQTAFULN-KRWDZBQOSA-N 397.479 2.718 0 40 GFAB biogenic,in-vitro CN1C[C@H](C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)CC1=O 2037846170 SOUCSRLCXNEKFY-SNVBAGLBSA-N 398.893 2.651 0 40 GFAB CN1CCN([C@@H]2CCN(Cc3ccc(F)c(F)c3)[C@H]2Cc2cccnc2)CC1 2055718115 RJJUCWZFZZDSGA-YADHBBJMSA-N 386.490 2.793 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 2086861558 ZVTKTLULLRTENX-UHFFFAOYSA-N 380.901 2.639 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 909558 MXNONEPRIYOYJD-UHFFFAOYSA-N 388.445 2.842 0 40 GFAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)c(OC)c1 956725 DNGASBMALXPXIM-QGZVFWFLSA-N 384.461 2.530 0 40 GFAB CCNc1nc(NC(C)C)nc(S[C@@H](C(C)=O)C(=O)Nc2ccccc2)n1 985035 UBIAHDHDUHBEJS-AWEZNQCLSA-N 388.497 2.812 0 40 GFAB COc1cc(OC)c([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 2121628 UCESPARULGXJHG-FOIQADDNSA-N 382.416 2.882 0 40 GFAB biogenic,in-vitro CC(C)(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3288449 HNKWKQKHMMSSJM-UHFFFAOYSA-N 383.448 2.895 0 40 GFAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(=O)NCc1ccccc1 3294393 OEEBJDBRCMFWJV-UHFFFAOYSA-N 380.322 2.888 0 40 GFAB COCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccncc1 3304384 LMGRJOUEKVJDKY-HUUCEWRRSA-N 389.525 2.868 0 40 GFAB COc1cc(CC(=O)OCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC 3317914 LAHJRILWQQDBFN-UHFFFAOYSA-N 395.358 2.715 0 40 GFAB C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCO2 3453650 GIWGCTQXJQKGBG-MRVPVSSYSA-N 382.166 2.955 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 3593748 MAEFFLGXFXVFRS-NRFANRHFSA-N 399.878 2.856 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccccc3C)C2=O)cc1 4304834 VRHUATOCJIJKBX-QFIPXVFZSA-N 379.460 2.729 0 40 GFAB COc1cc(NC(=O)CSc2nnc(-c3cc(C)on3)o2)cc(OC)c1 4744765 ANRZTJBYGCYZAK-UHFFFAOYSA-N 376.394 2.781 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1 5295374 FTELJAYWXKAAOQ-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 5302736 SYVDVMCFEGVCHH-HOTGVXAUSA-N 376.453 2.574 0 40 GFAB COc1ccccc1COC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 5486618 GRSAXUYCISVBMQ-NRFANRHFSA-N 382.416 2.514 0 40 GFAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2ccccc2)cc1 5735590 KKIYBMFCZKHWQR-CYBMUJFWSA-N 381.461 2.918 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5791882 PXXWHCCKTAEYRE-UYSIFFEZSA-N 379.407 2.521 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc(Br)c2)c1 5943741 PRBSBMHMPNNJCP-BQYQJAHWSA-N 381.251 2.748 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCCC(=O)N2CCCCCC2)CC1 6955069 RZVJDWOIQRAUPZ-UHFFFAOYSA-N 387.524 2.917 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccccc1F 7728419 CSJGRNPBVXDFJQ-CYBMUJFWSA-N 378.425 2.535 0 40 GFAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1c(F)cccc1F 8039116 PQVBUTOGKAQJRS-INIZCTEOSA-N 398.369 2.548 0 40 GFAB C[C@@H]1Cc2cc(C(=O)NCc3cccc(Cl)c3)ccc2N1S(C)(=O)=O 8076986 MSRJXJSYJJMKKU-GFCCVEGCSA-N 378.881 2.981 0 40 GFAB COC(=O)c1cc(NC(=O)COC(=O)c2cccc(OC)c2)ccc1Cl 8167183 ZENABBNCURYRDJ-UHFFFAOYSA-N 377.780 2.931 0 40 GFAB CCOc1ccc(-n2nc(C(=O)NCCOC)nc2-c2ccc(F)cc2)cc1 8476383 IXGWGPQHZWXWJV-UHFFFAOYSA-N 384.411 2.848 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccnc1 8748131 YNXUOILVWOKLOF-CQSZACIVSA-N 380.425 2.914 0 40 GFAB Cc1cnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 9183709 XQQGTPNKTYXNPO-LBPRGKRZSA-N 383.470 2.630 0 40 GFAB C[C@@]1(C2CCCCC2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 9512414 OYIINZCPWQOCOO-SFHVURJKSA-N 383.370 2.933 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(C)ccc2OC)Oc2ccccc21 10009134 VDNNJXKVWUDYKY-SFHVURJKSA-N 390.461 2.559 0 40 GFAB COCCn1cc(C(=O)c2ccccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 10025093 JJHPYRNBRDSWEE-UHFFFAOYSA-N 389.411 2.975 0 40 GFAB O=C(NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)o1 10288773 IQUNQKZVLJMGON-MRVPVSSYSA-N 383.164 2.573 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691784 NVTSUDBFZGAADK-ZQIUZPCESA-N 396.390 2.661 0 40 GFAB O=C(NCCCn1nc(-c2ccncc2)ccc1=O)Nc1cc(F)ccc1F 11747207 SVXHLYGUUAQUPB-UHFFFAOYSA-N 385.374 2.795 0 40 GFAB O=C(Cn1ncn2c(cc3occc32)c1=O)N[C@H](c1ccccc1)c1ccncc1 12117991 PBDVGEZDTRGHDL-OAQYLSRUSA-N 399.410 2.543 0 40 GFAB COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4n[nH]c5c4CCCC5)C[C@@H]32)c1 12121117 KORFVSUQRYTLSK-GHNFSYLKSA-N 381.476 2.667 0 40 GFAB CCOC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12121280 DVQVXXUVWCPKSP-HNNXBMFYSA-N 383.452 2.744 0 40 GFAB CN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(s1)CCc1c-2cnn1C 12146123 KJEGZQWRSUZNHE-UHFFFAOYSA-N 382.445 2.690 0 40 GFAB COc1cccc(COc2cn(C)c(C(=O)NCc3cccs3)cc2=O)c1 12167229 SBCKYMPDFISBTO-UHFFFAOYSA-N 384.457 2.964 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)c3cccnc3)CC2)C1 12366418 XFLFTOFGIXJUPA-JOCHJYFZSA-N 379.460 2.888 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccc(Cl)cc2)no1 12595583 JGVJZUYHZANPRX-UHFFFAOYSA-N 390.852 2.600 0 40 GFAB C[C@@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)CCCC2 12804263 DAWRMMHVQSBSQR-OAHLLOKOSA-N 398.507 2.502 0 40 GFAB COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cc(C)ccc2OC)cc1OC 12984376 KVBYLWQDNSPKKQ-AWEZNQCLSA-N 386.448 2.628 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)COc2c(C)cc(C)cc2C)cc1 16839673 WBVAVXXEEHDEFB-GOSISDBHSA-N 377.506 2.981 0 40 GFAB O=C(O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)cc1 16900932 KSJOGERPJOWGAE-CQSZACIVSA-N 389.205 2.891 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@H]([C@@H](NC(C)=O)c3ccccn3)C2)c1 19020261 MMMZGHLYRWCWDK-PGRDOPGGSA-N 381.476 2.749 0 40 GFAB Cc1cc2nc([C@H](C)NC(=O)c3c(-c4cccnc4)noc3C)cc(O)n2n1 19129758 UNNZXWZNGCTYCO-NSHDSACASA-N 378.392 2.593 0 40 GFAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)c3ccc(C)s3)c3ncccc23)C1 19217110 OGWYHFCFBKEXMU-OAHLLOKOSA-N 397.504 2.567 0 40 GFAB Cc1cccc(C)c1OCC(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 19236031 GIBJRWWRFAKASV-INIZCTEOSA-N 377.444 2.935 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)C[C@H]2C=CCC2)CC1 19288968 WPPKLTOZBZDYSD-KRWDZBQOSA-N 379.508 2.919 0 40 GFAB O=C(NC1CCN(CC2(c3ccccc3)CCCC2)CC1)c1ccc(O)nn1 19369748 JFTBBGUPGDRKIS-UHFFFAOYSA-N 380.492 2.888 0 40 GFAB c1ccc(-n2cc(CN(CCCN3CCOCC3)Cc3cccnc3)cn2)cc1 19374513 ZCTNJWBQBCWSSV-UHFFFAOYSA-N 391.519 2.992 0 40 GFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(C3CCCC3)CCO2)n1 19694915 ZIUACBTVNMKDLX-LJQANCHMSA-N 395.507 2.624 0 40 GFAB Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857199 IHGZHFGCHWWDJR-FQEVSTJZSA-N 386.517 2.853 0 40 GFAB COc1ccc(-n2c(=S)[nH]c(O)c([C@@H]3NCCc4ccccc43)c2=O)cc1 20171183 PQSFMUKMNJXSHQ-QGZVFWFLSA-N 381.457 2.844 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20461631 SYPORZQEOZCKNU-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C)cc1)C3 20632416 DSFNCHUVLJBKNZ-ZDUSSCGKSA-N 382.445 2.611 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)C2=O 22575833 REAFVABCNDRJHL-CQSZACIVSA-N 394.427 2.630 0 40 GFAB CC(C)c1noc2ncc(C(=O)Nc3nc(CN4CCOCC4)cs3)cc12 22701969 IUEGXLDLZHYVKM-UHFFFAOYSA-N 387.465 2.887 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1cn(-c2ccccc2C(F)(F)F)nn1 23152658 SSZZWIAUWWLLCS-UHFFFAOYSA-N 390.321 2.945 0 40 GFAB Cn1ccs/c1=N\C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 23260242 HQNXVSILOBAAJY-VLGSPTGOSA-N 388.499 2.714 0 40 GFAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 24749668 UBSNCMBMDXYGQW-GOSISDBHSA-N 379.503 2.924 0 40 GFAB CN(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCCCC1 24976317 NSGJOUSPOATWDN-KRWDZBQOSA-N 380.510 2.549 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 27594543 LENBNVUKJOMHGX-WMZOPIPTSA-N 387.455 2.690 0 40 GFAB NS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 32754174 VHSJKZDCUNVHTH-UHFFFAOYSA-N 375.381 2.953 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 32803099 MJHTXWCYELBEOH-UHFFFAOYSA-N 393.484 2.644 0 40 GFAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 36775294 RMSWGCXHAWPBAK-QMMMGPOBSA-N 376.463 2.807 0 40 GFAB CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 36833129 JLQBMUJABLSPQD-UHFFFAOYSA-N 380.491 2.738 0 40 GFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O 40127678 GYXQPZNDMZODQO-IBGZPJMESA-N 391.349 2.900 0 40 GFAB O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 41396815 RIFSKBUDTQUIGD-UHFFFAOYSA-N 392.908 2.806 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC(=O)Nc4ccccc43)C2)cc1 46435387 UCTVRWMECAQZCK-KRWDZBQOSA-N 377.444 2.833 0 40 GFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc3nccnc3c1)C2=O 47179254 JSPXWUTYVAYKGR-YEJXKQKISA-N 395.463 2.705 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1)NCCOc1cccc(C(F)(F)F)c1 48366405 PQUXIBRLOGRVDL-UHFFFAOYSA-N 384.329 2.770 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2nc3ccccc3n2C)CC1 49372118 HMJYZAXFBTZJQY-QGZVFWFLSA-N 378.476 2.685 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1ccccc1 57490492 INEWBLRQZBKXHW-UHFFFAOYSA-N 395.415 2.992 0 40 GFAB CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 61721931 MNGMUAUTOWAXPE-NRFANRHFSA-N 394.519 2.859 0 40 GFAB COc1ccc2cc([C@@H]3CC(O)=Nc4c3c(=O)[nH]n4C(C)C)c(=O)n(C)c2c1 71283800 HUTQSLGAGVYZLE-ZDUSSCGKSA-N 382.420 2.741 0 40 GFAB C[C@H](Sc1ccccc1Cl)C(=O)NCC1(O)CCC2(CC1)OCCO2 72308027 YYEHMSURGDLKFF-ZDUSSCGKSA-N 385.913 2.985 0 40 GFAB Cc1c(-c2nnc3sc(-c4cncc(Br)c4)nn23)cnn1C 79492335 VMWTZNAICRMBOR-UHFFFAOYSA-N 376.243 2.719 0 40 GFAB NC(=O)N[C@H](CC(=O)N1CCC(CCCN2CCCC2)CC1)c1ccccc1 89826113 TWSRWLMCRWYSNB-HXUWFJFHSA-N 386.540 2.901 0 40 GFAB O=C(CCn1ncc2ccc(Cl)cc21)N1CCN(C(=O)c2ccco2)CC1 96181973 GUJOFGORHJBGDC-UHFFFAOYSA-N 386.839 2.657 0 40 GFAB CCCOC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186651 IXMLMCBAXDISNI-LZJOCLMNSA-N 391.439 2.634 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4cccc(C)c4)[C@@H]3C2=O)cc1 100982820 XJBNOZBZSXDAQZ-QUCCMNQESA-N 391.427 2.717 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c1OC 101297203 SKYLPMMVVCJGCG-APWZRJJASA-N 380.400 2.613 0 40 GFAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]23)c1 101298950 GIZGTLJSYDHQOB-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB COc1ccc(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)cc1OC 186970805 UHWIFGGRQDBQTG-UHFFFAOYSA-N 389.418 2.777 0 40 GFAB COc1cccc(O[C@H](C)C(=O)NCc2cc(OC)c(OC)c(OC)c2)c1 219305462 BIUBVBHBTDYQPT-CYBMUJFWSA-N 375.421 2.805 0 40 GFAB Cc1cccc(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 220128897 TVBPBFWLUJFARB-HNNXBMFYSA-N 396.534 2.792 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1 223122844 HTPGTNSSANMPFX-UHFFFAOYSA-N 382.460 2.872 0 40 GFAB Cc1cccc(C)c1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 223690340 UPHZMQKOQGPYOA-UHFFFAOYSA-N 378.469 2.567 0 40 GFAB COC(=O)Cc1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc1 225232305 USAKMDRPFRQVAO-UHFFFAOYSA-N 398.532 2.748 0 40 GFAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N(C)[C@@H]3CCCC[C@H]3O)ccc21 225716153 XJVMTDQNONSRHJ-UKRRQHHQSA-N 384.523 2.568 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 225928903 CHLXPDNCDFMDRC-HNNXBMFYSA-N 378.469 2.940 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1F 226097500 UBUAOLMQSOVZJC-UHFFFAOYSA-N 376.453 2.583 0 40 GFAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN(C)C 257231005 GEUJOUUJACJAII-KHYDEXNFSA-N 383.536 2.550 0 40 GFAB COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(CCC(C)C)CC2)C1 306126701 FCSHXOIUOAWUIT-UHFFFAOYSA-N 387.484 2.957 0 40 GFAB Cc1csc(C(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)c1 390830253 JSLPQUKOUZZXSW-UHFFFAOYSA-N 391.518 2.862 0 40 GFAB CC(C)c1csc(CCNC(=O)c2c(-n3cnnn3)sc3c2CCC3)n1 524732962 GEXOBKJUQYHQOD-UHFFFAOYSA-N 388.522 2.765 0 40 GFAB CCN(CC)CCCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 575419952 BMVFTAQAZQXLHP-GOSISDBHSA-N 397.610 2.913 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575617587 UYCBLVYBYVXYQR-SNVBAGLBSA-N 388.415 2.892 0 40 GFAB CC(=O)c1sc(NC(=O)[C@@H]2CCCN(c3cc4c(nn3)CCC4)C2)nc1C 585150578 UDDVPRCTJAARSP-CQSZACIVSA-N 385.493 2.788 0 40 GFAB O=C(Nc1cccc(Cl)c1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188707 JOPZOTIRSNBSGV-ZDUSSCGKSA-N 379.869 2.637 0 40 GFAB Cc1ncn(CC2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(=O)c1C 585629879 CXKLSVIIOQLHRT-UHFFFAOYSA-N 378.476 2.823 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[C@H]1C1CCOCC1 630752598 UZKZYIPGNSHWFQ-LEWJYISDSA-N 384.520 2.789 0 40 GFAB CN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1CCN(CC(F)(F)F)CC1 636008310 BAMQCSCRNZSKMY-UHFFFAOYSA-N 382.386 2.881 0 40 GFAB O=C(NCCc1ccccc1)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 641735026 ZZMATQUVCFGVQR-UHFFFAOYSA-N 397.429 2.915 0 40 GFAB Cc1nc(CC(=O)N(C)[C@H]2CCCN(C(=O)CC[C@@H]3CCOC3)C2)c(C)s1 1615611766 QIVOOBGROFXEQT-SJORKVTESA-N 393.553 2.569 0 40 GFAB Cc1cc(OCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)ccn1 1775968114 JJCJAQRRWSKDHM-UHFFFAOYSA-N 388.489 2.805 0 40 GFAB CN(C)c1ccc(C(=O)N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)cc1 1775973818 GPNPOUOARLCMJL-UHFFFAOYSA-N 392.434 2.813 0 40 GFAB O=C(c1cncc(F)c1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888844336 IQQHMXCIHWNAOD-CHWSQXEVSA-N 380.345 2.843 0 40 GFAB Cc1ccc(C(=O)N2CCCC3(CCN(C)CC3)[C@@H]2CNC(=O)C(C)C)o1 2055793340 QOZRYIRHKLKJRR-SFHVURJKSA-N 375.513 2.677 0 40 GFAB Cc1c(O[C@@H](C)C(=O)NCCCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2426686 UCCJMDHHVPDKQO-ZDUSSCGKSA-N 387.432 2.729 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)nc2)sc2c1CCCC2 3331782 ZKUVIUIIPPRLPF-UHFFFAOYSA-N 393.852 2.570 0 40 GFAB COC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CCN(C)C2 4223484 OCWJYXCUSPWMSO-UHFFFAOYSA-N 390.461 2.792 0 40 GFAB COC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 4694737 HVGPCXVJIAXFOM-IZZDOVSWSA-N 386.223 2.667 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)c(C)c1NS(C)(=O)=O 4751755 VWJQMIVSVBNNNC-UHFFFAOYSA-N 394.518 2.816 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N(CCO)CCO 4775106 IEQZBQLFRAVFHT-FQJIPJFPSA-N 377.569 2.965 0 40 GFAB biogenic,in-vitro CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)ccc21 4884409 JTFIUNXZSTYTHE-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB CCOc1ccc(Cc2nnc(Nc3cc(OC)ccc3OC)[nH]c2=O)cc1 5154468 QIIIHKILMWJCJF-UHFFFAOYSA-N 382.420 2.915 0 40 GFAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 5267864 PZBRPQLJUSBTJB-UHFFFAOYSA-N 394.431 2.762 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 5365614 MDNKKNBWSAJCLG-UHFFFAOYSA-N 379.434 2.530 0 40 GFAB C=CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 6295838 QIZTYNYETPDACP-LDADJPATSA-N 395.390 2.922 0 40 GFAB Cc1c(OCC(=O)NC[C@@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 6659954 CVJBZVUFGDEUKB-LJQANCHMSA-N 393.439 2.819 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2)c(C)s1 6680104 XROQONKVWARDMH-UHFFFAOYSA-N 396.490 2.784 0 40 GFAB CCCCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccc(OC)cc2)s1 6818383 VSHYGNCPLPVQJI-UHFFFAOYSA-N 398.510 2.891 0 40 GFAB CCCn1c(SCc2cc3c(cc2Br)OCCO3)n[nH]c1=O 7527321 BOLDJGIRFHFKQT-UHFFFAOYSA-N 386.271 2.807 0 40 GFAB Cn1cccc1C(=O)NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 7736148 CEXMSTPFNNMPAF-UHFFFAOYSA-N 390.395 2.763 0 40 GFAB O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7814539 SZWOUDNPBCVOJH-UHFFFAOYSA-N 395.484 2.523 0 40 GFAB COc1ccc(NC(=O)N[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1 8156612 HKMYLSDUWCRNQX-QGZVFWFLSA-N 393.440 2.767 0 40 GFAB C[C@H](Nc1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc2c(c1)OCCO2 9221138 FJWNCWKEDMBIPQ-NSHDSACASA-N 385.445 2.941 0 40 GFAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)no1 12028790 GGCVEVBSCAKZJA-AWEZNQCLSA-N 391.474 2.573 0 40 GFAB O=S(=O)(NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1)c1cccs1 12197470 MYMRZXXWJZEHEC-AWEZNQCLSA-N 380.491 2.592 0 40 GFAB Cc1ccccc1C1(O)CCN(C(=O)c2sc3ncn(C)c(=O)c3c2C)CC1 12290343 GPIMTOLKCIFUMJ-UHFFFAOYSA-N 397.500 2.736 0 40 GFAB Cc1ccc(-c2ccccc2CC2(C(=O)NCC(N)=O)CCOCC2)c(C)c1 12366598 YMEHEESJDCYQJF-UHFFFAOYSA-N 380.488 2.911 0 40 GFAB Cc1ncc(-c2onc(C)c2C)c(CN(C)C(=O)c2cc(C)c(C)[nH]c2=O)n1 12471453 PWJRQRGEJIXYIG-UHFFFAOYSA-N 381.436 2.634 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1ccc2c(c1)OCCO2 12522137 ZRUMNMUVULUOEG-FZKQIMNGSA-N 393.443 2.870 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C 12584358 LMQJGGSHLNGMJU-UHFFFAOYSA-N 380.491 2.545 0 40 GFAB NC(=O)c1cc(N2CCCCC2)ccc1NS(=O)(=O)c1cccc(F)c1 12774382 UPDQRXVZXDKMLK-UHFFFAOYSA-N 377.441 2.716 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 12787215 PAHSCZHXLYWBJD-CQSZACIVSA-N 381.432 2.546 0 40 GFAB C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)NC1CCCCC1 12787832 PFSVFRPAQQBSTR-INIZCTEOSA-N 399.491 2.784 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3F)ccc21 12915109 JMSRLUVYAOSMDU-UHFFFAOYSA-N 376.453 2.946 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 12989382 UKNBMGWEAGXWQE-UHFFFAOYSA-N 386.473 2.759 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1=O 12993494 AYPXWKAMNSFOAR-OAHLLOKOSA-N 393.443 2.814 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC 12999563 WJTBWOLAVGKEFD-UHFFFAOYSA-N 390.505 2.647 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccco2)CC1 13322681 SFAUGWZPSAZJQN-UHFFFAOYSA-N 391.312 2.610 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccnn1Cc1cccc(Cl)c1 14198217 AXHCTMRDMCLAFE-UHFFFAOYSA-N 394.818 2.820 0 40 GFAB CC(C)Cn1c(N)c(C(=O)CSCc2ccc(Cl)cc2)c(=O)n(C)c1=O 15155136 ZKKNQAOJQUXCAH-UHFFFAOYSA-N 395.912 2.555 0 40 GFAB COC(=O)c1sccc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 15606806 MTTYWYAKXBTMBD-UHFFFAOYSA-N 387.392 2.780 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCN(Cc4ccccc4)CC1)(C3)C2 16045803 HTYSNBXCEMMGOO-MNZGCLKASA-N 395.547 2.806 0 40 GFAB CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 16162264 YSSDLJOPXCSBDE-UHFFFAOYSA-N 394.468 2.964 0 40 GFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)c1ccc(F)c(F)c1 16208083 WWYSRNOPPINGQR-NSHDSACASA-N 397.399 2.643 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nc2sccc2c(=O)[nH]1 16543449 GIAKOBDHAUSKFT-UHFFFAOYSA-N 375.431 2.502 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)c3cccs3)nc2C1 19019009 OQVIRABCEQZJCK-OAHLLOKOSA-N 386.477 2.516 0 40 GFAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CCC(Cc4ccccc4)CC3)ccc21 19658285 OWMDENZBGFIDPP-UHFFFAOYSA-N 392.503 2.770 0 40 GFAB CCn1nc(C)c(-c2cc(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)[nH]n2)c1C 19660947 HSZGSYKFFUIKPA-JOCHJYFZSA-N 393.491 2.952 0 40 GFAB Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)nc(C)n1 19749778 IIOIWRNJHCGQFY-IBGZPJMESA-N 388.537 2.914 0 40 GFAB CC1=CCC(=O)N(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)N1 19797196 GQZACTXDQYAVEV-UHFFFAOYSA-N 391.884 2.584 0 40 GFAB CCOC(=O)c1ccc(-c2nnc(NC(=O)c3ccccc3C(=O)O)o2)cc1 20496083 SDCWVSVNVYWLIX-UHFFFAOYSA-N 381.344 2.864 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)c1 20824039 XSLRTISLMVHEMT-LJQANCHMSA-N 390.443 2.886 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2nc(C)cs2)cc1 21482885 DMZRYAYZRLHOKD-UHFFFAOYSA-N 395.550 2.731 0 40 GFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCOc4ccccc43)cc2C[C@H]1C 21867133 QOUAILDGQNMNEI-FZKQIMNGSA-N 386.473 2.786 0 40 GFAB CCN(CC)CCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 22108619 TUBPMCANSXAIRA-UHFFFAOYSA-N 388.464 2.951 0 40 GFAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 22496166 CJCVOHIWIHVBLR-UHFFFAOYSA-N 380.441 2.922 0 40 GFAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613208 ZEZDJUDXMGGURH-UHFFFAOYSA-N 390.908 2.937 0 40 GFAB CCCC1(CCC)NC(=O)N(CC(=O)N2CCCc3cc(OC)ccc32)C1=O 24875466 JBPPXWGWGWKFPK-UHFFFAOYSA-N 387.480 2.865 0 40 GFAB CCOC(=O)[C@H]1CSCCN1Cn1nc(C)n(-c2ccccc2C)c1=S 24972761 QHZZTSXDJNYDCO-MRXNPFEDSA-N 392.550 2.958 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1OC 29714514 WRLFXUMLQCKSCA-CSKARUKUSA-N 396.487 2.866 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 30017865 SRYUEBXIOZTBDK-HOTGVXAUSA-N 396.491 2.626 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31208457 KEMSPBGXHNHYBB-CYBMUJFWSA-N 375.831 2.881 0 40 GFAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OC)c(O)c2)nn1 32100937 MGANZKSGLDYKSK-GFCCVEGCSA-N 381.392 2.817 0 40 GFAB Cn1ncc2c(SCCC(=O)Nc3ccc(N4CCCC4=O)cc3)ncnc21 32883942 URZZZXZATPQXEU-UHFFFAOYSA-N 396.476 2.611 0 40 GFAB Cc1c(C(=O)NCc2ccc(-n3ccnc3)nc2)cnn1-c1ccccc1F 33044087 PSAYNDAQZKJLTF-UHFFFAOYSA-N 376.395 2.831 0 40 GFAB CC(C)[C@@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc(F)cc1 34862959 YMCFFGLESBKMHE-GOSISDBHSA-N 376.501 2.918 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)N1CCCCCC1 35326146 MCMQAAISJUKXCY-UHFFFAOYSA-N 394.519 2.638 0 40 GFAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccc(F)cc2)n1 36365692 YYHUQHAZUUVJHU-UHFFFAOYSA-N 384.367 2.676 0 40 GFAB COc1ccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)C)o3)n2)cc1OC 36366400 UOXKHCLBRSZZFA-UHFFFAOYSA-N 393.421 2.701 0 40 GFAB CCCOc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 36637075 KGMSJDIAAAXOPQ-QFIPXVFZSA-N 393.443 2.807 0 40 GFAB Fc1cc(Br)ccc1NC(=S)NCCCN1CCOCC1 38253279 ZGJCSHWYOYOZBH-UHFFFAOYSA-N 376.295 2.597 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1 38554119 RBXOOEZTNVCPPX-UHFFFAOYSA-N 376.869 2.727 0 40 GFAB CN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](c2ccccc2)C1 40007785 UCHKAKSHPGAAPF-IOFSEFHDSA-N 395.547 2.834 0 40 GFAB O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N(C[C@@H]1CCOC1)C1CC1 40121257 KPRDLCTVNZPCFM-LBPRGKRZSA-N 380.370 2.927 0 40 GFAB Cc1ccc(F)c(S(=O)(=O)N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 40149790 NGGHTZVWKKUUKX-GOSISDBHSA-N 376.453 2.776 0 40 GFAB COc1cccc(CNC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)c1 41254573 QFKKAWBYYDNKBD-UHFFFAOYSA-N 381.407 2.765 0 40 GFAB O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2ccccc2F)CC1 43960423 DYKPBERKTIQVHV-BQYQJAHWSA-N 392.452 2.649 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 44786614 PZEMSYCPGGJHLH-SFHVURJKSA-N 376.472 2.839 0 40 GFAB O=C(NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCN1Cc1ccccc1 57174348 WSMYKPAFRBZLEV-JOCHJYFZSA-N 378.520 2.827 0 40 GFAB CCCNC(=O)NC(C)(C)C(=O)NCc1cccc(OCC(F)(F)F)c1 58281447 ODTUGCMULDLIIL-UHFFFAOYSA-N 375.391 2.732 0 40 GFAB O=C(CNc1ccccc1N1CCC(O)CC1)NCC1(c2ccccc2)CC1 61020753 QFEFPEKERLENBG-UHFFFAOYSA-N 379.504 2.908 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(O)cc1 65102637 LTHXSTWYYRQKSJ-IBGZPJMESA-N 382.460 2.754 0 40 GFAB Cc1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300912 XEHULPZWHZONIG-UHFFFAOYSA-N 395.434 2.840 0 40 GFAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1COCC(=O)N1Cc1ccccc1 70641581 BXOPLWJKYXRQBS-QGZVFWFLSA-N 394.456 2.571 0 40 GFAB Cc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980597 SWUCKISRZVWKCE-HXUWFJFHSA-N 394.471 2.913 0 40 GFAB COC[C@](C)(CC(=O)OC)NC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 79050741 RYAGPNICXYNLFF-FQEVSTJZSA-N 397.435 2.510 0 40 GFAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c2)n1 95424045 VLDGLHJDGRUYNH-HXUWFJFHSA-N 377.444 2.974 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccc(=O)oc2c1 95943236 AOWYMTBFBZWPOG-UZLBHIALSA-N 392.455 2.809 0 40 GFAB Cc1occc1C(=O)N1C[C@@H](C(=O)NCc2cccs2)C2(CCOCC2)C1 96078709 QPJRTTYYNNARRW-KRWDZBQOSA-N 388.489 2.835 0 40 GFAB O=S(=O)(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccc(F)cc1 96112866 GLLDCQZOWLINOZ-INIZCTEOSA-N 387.436 2.567 0 40 GFAB biogenic,in-vitro CN(C)c1ncc(-c2cc(C(=O)NCCc3ccccn3)n(CC3CC3)c2)cn1 96147677 HMQLAYHDFYBROI-UHFFFAOYSA-N 390.491 2.789 0 40 GFAB Cc1cc(CN2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C 96225926 OQQQHNHHYDXDQQ-NRFANRHFSA-N 382.464 2.671 0 40 GFAB Cc1nc(CN2CC[C@]3(C2)CN(C(=O)c2cc[nH]n2)CCC3(F)F)cs1 96239793 CFJIGXPXVUNIGW-INIZCTEOSA-N 381.452 2.548 0 40 GFAB Cc1csc2ncc(C(=O)Nc3nnc(Cc4ccccc4)s3)c(=O)n12 96838478 UVJMPEFBTARTHN-UHFFFAOYSA-N 383.458 2.759 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2F)cc1C(=O)N1CCCC1 113941301 FPFSEADSGZZJHQ-UHFFFAOYSA-N 392.452 2.549 0 40 GFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cc(C3CC3)ncn2)CC1 211076560 ZHTGGVRGQBPCSN-UHFFFAOYSA-N 396.875 2.657 0 40 GFAB COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OC 216339201 AMICGHKXFQQADP-UHFFFAOYSA-N 398.868 2.659 0 40 GFAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223167680 FCCXBLSRWNGKAX-OALUTQOASA-N 386.521 2.678 0 40 GFAB COc1cccc(OCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 223451676 CCRFOIWJWWFZPK-PKNBQFBNSA-N 387.432 2.929 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 223992972 GKIJQNUAVPOCBJ-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2cccc(C)c2)c1 225408142 PGSRZMLFJXOOIC-UHFFFAOYSA-N 378.519 2.566 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@H](n4cc(C5CC5)nn4)C3)c2O1 253472428 MEDKOKWBZLKIQH-INIZCTEOSA-N 382.464 2.721 0 40 GFAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)COC)CC1 257276919 NVRCVLJINAVBAI-UHFFFAOYSA-N 395.503 2.682 0 40 GFAB Cc1nc2cc(CCC(=O)N(C)[C@@H]3CCC[C@@H](n4ccnc4)[C@@H]3O)ccc2[nH]1 257313043 UQTYVWJPFXJOEP-SFHLNBCPSA-N 381.480 2.614 0 40 GFAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccccc5F)CC4)nccn23)cn1 306137708 RDQSINZHJKPDKE-UHFFFAOYSA-N 391.454 2.591 0 40 GFAB COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)c(OC)cc1Cl 408594820 QVLCDTKGEMBZJD-LLVKDONJSA-N 398.868 2.663 0 40 GFAB COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2 408617270 FSLBASNGSPNQGW-UHFFFAOYSA-N 397.474 2.841 0 40 GFAB Cn1ccc2c(NC(=O)C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)cccc21 504506855 SUCGRTVFMUEXBR-GOSISDBHSA-N 390.443 2.670 0 40 GFAB biogenic C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCc2nc(C(C)(C)C)ncc2C1 530166310 ZCVAYNAVQWOTJX-CQSZACIVSA-N 396.491 2.535 0 40 GFAB COc1cc2cc(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)[nH]c2cc1OC 531516770 VTYZXLVWLFEDFX-CYBMUJFWSA-N 384.411 2.728 0 40 GFAB O=c1c2c(ncn1Cc1ccc(OCc3ccc(F)cc3)cc1)CCNCC2 577391049 IFKHPRKVIXMQTI-UHFFFAOYSA-N 379.435 2.698 0 40 GFAB CN1C(=O)CN(CC(=O)N(Cc2ccc3[nH]ccc3c2)Cc2cccs2)C1=O 585124258 ZHBIHIHWYURBFI-UHFFFAOYSA-N 396.472 2.652 0 40 GFAB CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1ccc(-n2cccn2)cc1 614652026 BFZZNZLHEKOEEN-UHFFFAOYSA-N 395.484 2.798 0 40 GFAB CCN(C(C)=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cn1 617544721 YAWGIWDEYZHKIK-GJZGRUSLSA-N 397.479 2.715 0 40 GFAB CC[C@@]1(O)CCCN(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)C1 637287906 BRNKAERPNKJIHC-TZIWHRDSSA-N 376.497 2.829 0 40 GFAB O=C(c1ccncc1)N1CCC(COc2ncc(Br)cn2)CC1 1775996177 YWTFHSFUOXNYOJ-UHFFFAOYSA-N 377.242 2.565 0 40 GFAB c1ccc2cc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)ccc2c1 1889260054 KZMIYYHEYVHZMW-UHFFFAOYSA-N 389.503 2.789 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(OC)c1 2055830221 GXFJAPIXADVULB-DYESRHJHSA-N 375.465 2.894 0 40 GFAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 796325 BSEOQMKEYREIGM-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(N2CCOCC2)cc1 3241045 GHJKUBGWSIAFFQ-UHFFFAOYSA-N 391.427 2.867 0 40 GFAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(N2CCCCC2)cc1 3412628 AWWHZENXEWEEPE-HXUWFJFHSA-N 396.443 2.999 0 40 GFAB Cc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c2c3c(sc2n1)CCCC3 3455747 NDZDTDOQWRSSOX-OAHLLOKOSA-N 386.521 2.706 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C[C@@H](C)O1 3490914 WRQPQMROKKRBMT-BETUJISGSA-N 378.523 2.878 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cc3c(s2)CCC3)cc1 4581395 RNTQUXLHEFQHHE-UHFFFAOYSA-N 386.473 2.799 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 4680707 WUHHTQCOMSYTBO-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB COc1ccc(OC)c(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)c1 5216727 LDXGOVGODSTDTC-UHFFFAOYSA-N 386.404 2.826 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1 5451786 JRTXADJDWFGHJB-UHFFFAOYSA-N 383.791 2.925 0 40 GFAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 5597700 WZHXSPWZDFLGBW-RFGFWPKPSA-N 381.450 2.694 0 40 GFAB CCN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 6167950 INGRIQDGTMTRFR-UHFFFAOYSA-N 387.505 2.919 0 40 GFAB CCOc1cccc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 6488575 YQWMRUPSMFVHSY-HNNXBMFYSA-N 379.503 2.976 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2)C1=O 6604837 YKXWUCUXFIZTNC-JOCHJYFZSA-N 392.459 2.693 0 40 GFAB CC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O 6764502 BUQZZGKYVKHXTJ-ZUZCIYMTSA-N 381.856 2.829 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccc(Cl)cc2s1 7485964 POSLVLGCNJTEHP-UHFFFAOYSA-N 378.841 2.753 0 40 GFAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(F)c(Cl)c1 7675876 KHXFMMRQOWHXHK-UHFFFAOYSA-N 375.743 2.511 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(OC)c(F)c1 7921684 GOJMKCOCWXLHDT-UHFFFAOYSA-N 377.368 2.819 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 8186318 SBLIJOXINDHLLA-QGZVFWFLSA-N 384.432 2.622 0 40 GFAB CC(C)CCN1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2C1=O 8190391 SXISBXHLNCGVAP-UHFFFAOYSA-N 394.427 2.987 0 40 GFAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 8491850 QUEWYPMGLUNDCG-HSZRJFAPSA-N 391.471 2.737 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2cccs2)C1=O 8891480 MZZSYFOEDRJYNQ-BUXKBTBVSA-N 389.452 2.922 0 40 GFAB CC/C(Nc1cccc(C(=O)O)c1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 8997208 WKMUKUISHKGXAX-FOCLMDBBSA-N 385.420 2.872 0 40 GFAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccccc1 10119959 SXHSABHQWDPLND-UHFFFAOYSA-N 381.417 2.879 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCSc2ccc(F)cc21 10965819 OYJGRTGPEQDHMQ-OAHLLOKOSA-N 399.447 2.572 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C[C@H](C)n3ccnc3)C2)C1 12087155 QMCLNBZRWYHXKQ-JTSKRJEESA-N 396.491 2.637 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1 12183754 KZSICGJVRIIGPO-GFCCVEGCSA-N 382.420 2.911 0 40 GFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2[nH]nnc2c1 12601257 XKPDTCHKZPLBHU-UHFFFAOYSA-N 393.325 2.567 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 12737478 IEXXVZHDWPRMBW-UHFFFAOYSA-N 390.461 2.802 0 40 GFAB COc1cc(OC)cc(C(=O)NCC(=O)N(C)Cc2nc3ccccc3s2)c1 12754212 AZRRXOFUHBWXOZ-UHFFFAOYSA-N 399.472 2.702 0 40 GFAB COc1ccc(NC(=O)NCCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 12853855 RJUANPKLGQVHLQ-UHFFFAOYSA-N 393.447 2.709 0 40 GFAB O=C(NCCc1nc(-c2ccncc2)n[nH]1)Nc1ccccc1Br 13565340 MTQMEKRHYTVGEP-UHFFFAOYSA-N 387.241 2.993 0 40 GFAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711211 MZVZPMIUTAIKOB-IBGZPJMESA-N 390.505 2.599 0 40 GFAB COc1cc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2cc1OC 13782860 JABYAVHSPNMUGH-UHFFFAOYSA-N 379.464 2.551 0 40 GFAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 14407935 XHSVHKTUICWZEN-CQSZACIVSA-N 382.851 2.960 0 40 GFAB CCNC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 15023339 YAUQXYJKLXTIEJ-UHFFFAOYSA-N 382.416 2.809 0 40 GFAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 15082225 ZJXVMPQHOPUWMQ-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB O=C1[C@H]2OC[C@H](O2)[C@H]2[C@@H]1[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc(F)cc1 15161957 FFBISRRZTPMMHX-JXYDWBEWSA-N 391.398 2.849 0 40 GFAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CC3 15842032 DRQRWTMKZBCCTF-UHFFFAOYSA-N 395.484 2.996 0 40 GFAB Cc1cccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)c1 15858251 QYURHUXEACZWDX-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 16691883 SNZUZLAUTOASPJ-UHFFFAOYSA-N 390.461 2.547 0 40 GFAB O=C(/C=C/c1ccccc1)NCCCS(=O)(=O)N1CCc2ccccc2C1 16849403 PMRPRUHELOHZIX-VAWYXSNFSA-N 384.501 2.594 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)nc2C1 19018994 PCLBMBFJCXWPLS-GOSISDBHSA-N 398.438 2.593 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCCN(Cc3cccc(C)n3)C2)c2cccnc21 19236218 GFGZOGCQBKGTOI-SFHVURJKSA-N 392.507 2.650 0 40 GFAB O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859602 WQKLTMNFGGKDKV-AWEZNQCLSA-N 384.929 2.941 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1C 20016171 MALQEIBNPMUDLJ-NSHDSACASA-N 384.404 2.587 0 40 GFAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccccc2)CC3=O)CC1 20671333 PQAAOQDYRIGRTC-QGZVFWFLSA-N 394.475 2.976 0 40 GFAB CCCCOCCCNC(=O)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 21900412 SHGOMEISRMZDHS-BAILOTOSSA-N 396.553 2.924 0 40 GFAB CN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22373666 DFYVVDHEEKVRKC-OAHLLOKOSA-N 384.407 2.608 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 22423911 CEDMVENRZBHPKE-HXUWFJFHSA-N 395.459 2.921 0 40 GFAB C[C@@H]1CN(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C[C@@H](C)O1 22612613 DOJPEFRCUZPSKF-IAGOWNOFSA-N 394.475 2.971 0 40 GFAB COc1cc(CN2CCN(Cc3c(C)nc4ccccn34)CC2)cc(OC)c1O 22793418 ARGDWKWOBSTHRJ-UHFFFAOYSA-N 396.491 2.683 0 40 GFAB C[C@@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23182013 YKXKBSHDWBQMRC-RDTXWAMCSA-N 397.541 2.688 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2c(F)cccc2Cl)CC1 24002363 TYNONZWVMMRKDH-IBGZPJMESA-N 390.842 2.963 0 40 GFAB O=C1c2ccccc2C(=O)N1CCSCC(=O)N1CCCc2ccccc21 24065037 HWADZXRHYMFXQN-UHFFFAOYSA-N 380.469 2.995 0 40 GFAB CN1C(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C(=O)C12CCCCC2 24098424 SZXSGYDIPVRDEP-MRXNPFEDSA-N 380.872 2.814 0 40 GFAB COc1ccc(CN(C)c2ccc(S(=O)(=O)Nc3ccccn3)cn2)cc1 24528894 NWELCRHRCOQSNP-UHFFFAOYSA-N 384.461 2.922 0 40 GFAB NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1 25056987 QJANGPODRDTZMQ-QGZVFWFLSA-N 375.428 2.657 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2c(F)cccc2Cl)c1 25729470 JMOHPKRKLWGZHB-UHFFFAOYSA-N 384.860 2.804 0 40 GFAB COc1cccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 26527311 XFRZSCLZZBVXKG-UHFFFAOYSA-N 375.855 2.553 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2)n1 27822945 VTVPDMYSYZRSLY-IBGZPJMESA-N 388.471 2.548 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ncccn1 27936132 DBCAPFSZMFREAD-ZETCQYMHSA-N 378.152 2.963 0 40 GFAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31665223 JTHWDNIINBWODZ-UHFFFAOYSA-N 378.538 2.925 0 40 GFAB O=S(=O)(NCCc1ncc2ccccn12)c1ccc(Br)cc1 31773156 HNLQOJKIXQSQMS-UHFFFAOYSA-N 380.267 2.618 0 40 GFAB Cc1cccc(N2N=C(C(=O)N3CCN(Cc4cccs4)CC3)CCC2=O)c1 32722547 UBGGWZDLGCOGHU-UHFFFAOYSA-N 396.516 2.884 0 40 GFAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)[C@H]1CCS(=O)(=O)C1 32842261 OHPUOHABMFEGKB-ZETCQYMHSA-N 380.369 2.568 0 40 GFAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CCC[C@@H]1C(=O)O 35686300 QNSKHPWRZZSWJY-YVEFUNNKSA-N 385.416 2.515 0 40 GFAB Cc1nn(C)c(C)c1CNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 36616704 GGYGMHWSOZGWTI-UHFFFAOYSA-N 378.436 2.817 0 40 GFAB O=C(CNC(=O)c1cc(F)c(Cl)cc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 40056951 XCOFWPXHKILSGK-UHFFFAOYSA-N 397.193 2.671 0 40 GFAB C[C@@]1(c2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)NC(=O)NC1=O 40118477 QMEPNMUADSYJLN-INIZCTEOSA-N 379.203 2.695 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1-n1cnnn1 40288271 SCDHMXUVCBFCAQ-UHFFFAOYSA-N 377.433 2.665 0 40 GFAB O=C(c1ccccc1F)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382464 MZIINBINWINXHN-IRXDYDNUSA-N 396.418 2.643 0 40 GFAB COc1cc(F)c(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC 45797450 QADFJMNXLIUBSF-AWEZNQCLSA-N 398.456 2.551 0 40 GFAB C[C@H]1CCc2[nH]c3c(C(=O)OCCN4C(=O)NC(C)(C)C4=O)cccc3c2C1 46331435 LZRQPIZVTHFKTP-LBPRGKRZSA-N 383.448 2.780 0 40 GFAB O=C(N[C@@H]1CCCCNC1=O)c1c(-n2cccc2)sc2c1CCSC2 47172737 XLTUNVBOQRBTJN-CYBMUJFWSA-N 375.519 2.727 0 40 GFAB O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1 48353830 KTXJBAQMYUVQNA-UHFFFAOYSA-N 378.476 2.825 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 55558235 JMZMFIOKJFZCDE-UHFFFAOYSA-N 385.825 2.701 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)COc2ccccc2C)cc1 55693374 PMMJSDKWGGYGHJ-QGZVFWFLSA-N 390.505 2.508 0 40 GFAB CCOC(=O)c1[nH]c(CN2CCN(c3ccccc3)CC2)c(C(=O)OCC)c1C 57322780 KHGPWJFUHYDKKR-UHFFFAOYSA-N 399.491 2.999 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OCC)cc2)c1=O 57477424 VKJQJZFBBFMAPF-UHFFFAOYSA-N 381.432 2.611 0 40 GFAB CCc1nnc2c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc3n12 64871524 NQLAPNSBOBRBPA-UHFFFAOYSA-N 375.432 2.862 0 40 GFAB O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 72298418 RLOFGENJNVMCBR-NRFANRHFSA-N 388.471 2.596 0 40 GFAB Cc1cc(C)nc(Nc2cnc([C@@H]3CCCN(S(=O)(=O)C(C)C)C3)cn2)n1 72363645 GEFIOEZLVSLPDA-OAHLLOKOSA-N 390.513 2.545 0 40 GFAB CCn1c(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)nc2c(F)cccc21 78950554 FRIVNXVBQNDOSJ-INIZCTEOSA-N 388.487 2.799 0 40 GFAB COc1ccccc1-n1cc(C(=O)NCCc2c[nH]cn2)c2ccccc2c1=O 79192775 BEGOPHICSHLDDQ-UHFFFAOYSA-N 388.427 2.695 0 40 GFAB biogenic CCc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccnc3Cl)C2=O)c1 95419342 DQNYAONGLHEXSV-IBGZPJMESA-N 386.839 2.703 0 40 GFAB COCCNCCCn1c(C(=O)CF)c(-c2ccc(C)cc2)c2c(N)ncnc21 95570474 UPTQGXMIZXGVSC-UHFFFAOYSA-N 399.470 2.767 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN12 101317448 PECOTYWKYPEQDY-MKXGPGLRSA-N 378.403 2.661 0 40 GFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 106364803 NJHHEUJPFNECSC-LJQANCHMSA-N 390.487 2.860 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223261722 OMIFSMXLCBXSCY-DBVUQKKJSA-N 399.564 2.596 0 40 GFAB CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(F)c(Cl)c1 223874398 SPVPCBHVBIAIFI-UHFFFAOYSA-N 376.881 2.942 0 40 GFAB CCCc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 224073940 JAFRXQXQWIQXSH-UHFFFAOYSA-N 376.478 2.819 0 40 GFAB COc1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1OC 224355137 QFQVCUYETHMVKL-UHFFFAOYSA-N 385.468 2.802 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1 224355271 RKZORTPXCIHOLJ-UHFFFAOYSA-N 385.468 2.802 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(F)cc1F 225734117 IZSLPGJQFUMZLJ-UHFFFAOYSA-N 398.431 2.795 0 40 GFAB Cc1cc(OC2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)cc(=O)n1C 238923257 UIOLMTGTCOKUAF-UHFFFAOYSA-N 394.393 2.935 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1 244909797 AWARQKKFKPSNKY-CJNGLKHVSA-N 393.472 2.572 0 40 GFAB CC(=O)N1CC[C@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)C1 257307270 SXYHCSOSLGBLRQ-LBPRGKRZSA-N 399.838 2.676 0 40 GFAB Cc1cc(Nc2ccccn2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257327665 XCFOSYONPRVJHS-UHFFFAOYSA-N 375.498 2.514 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1C 408551693 IGURTFSDSOLVAR-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB Oc1nc2ccccc2n1CCCSc1nnnn1-c1ccc2c(c1)OCO2 522623920 QFVCRRFKDZCKSX-UHFFFAOYSA-N 396.432 2.629 0 40 GFAB COc1c(F)c(F)cc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)c1F 575414756 ORNAZDDKNSLGDN-UHFFFAOYSA-N 376.338 2.838 0 40 GFAB O=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccccc1Cl 585147791 RXVMXHKCKZZDOL-UHFFFAOYSA-N 391.880 2.690 0 40 GFAB CC(C)N1CCC(NC(=O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC1 660854439 WLTVIMCLBVXAMH-UHFFFAOYSA-N 397.567 2.806 0 40 GFAB CC(C)c1snnc1C(=O)NC1CC2(CCN(Cc3nccn3C)CC2)C1 1565541922 TVDNUSLNURZPEH-UHFFFAOYSA-N 388.541 2.570 0 40 GFAB CCCc1nc(-c2noc([C@H]3CC(=O)N(C4CC4)[C@@H]3c3cnn(C)c3C)n2)co1 1615556263 NNSCFUKXUNSNPO-UGSOOPFHSA-N 396.451 2.939 0 40 GFAB Cc1cc2c(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nccn2n1 1888879482 MUYXPDDPRBTLAC-UHFFFAOYSA-N 385.422 2.969 0 40 GFAB O=C(c1cnc2ccccc2n1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888924310 DCYOOAWASOCLHD-LHSJRXKWSA-N 393.422 2.880 0 40 GFAB Cc1cc(=O)n(C2CCCC2)c2nc(N[C@@H]3CCN(C4CCOCC4)C3)ncc12 1889116966 HICWZZHCXRVLEV-MRXNPFEDSA-N 397.523 2.880 0 40 GFAB O=C(NCc1nc2ccccc2[nH]1)[C@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298121226 POTWFANAEMGHRW-GOSISDBHSA-N 380.423 2.900 0 40 GFAB COc1cc(N[C@H]2CC(=O)N(c3cccc(C(C)=O)c3)C2=O)cc(OC)c1OC 102929695 JXZDJRRQFNPCFT-INIZCTEOSA-N 398.415 2.659 0 40 GFAB O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1ccc2c(c1)OCO2 77197494 JFLPNVUZWIBVFO-UHFFFAOYSA-N 393.403 2.845 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)NCCC2CCN(C)CC2)CC1 103321301 PTOICHKRQRCXOU-UHFFFAOYSA-N 386.540 2.631 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1 78934940 MPBMWNZPPGKJPJ-SJORKVTESA-N 395.544 2.739 0 40 GFAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 3556655 IYPFHPLEIAIYDI-UHFFFAOYSA-N 388.489 2.540 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 6945424 FZEROQYFYHXRSL-CYBMUJFWSA-N 390.933 2.958 0 40 GFAB CCN(c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1)S(C)(=O)=O 10008553 MHSSUBDDHFYSNS-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB Cc1csc(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)n1 8150708 YVAGCELVZODSFW-AWEZNQCLSA-N 388.580 2.892 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CCC(C)CC1 8170524 SDMVXQOVCGXUTC-UHFFFAOYSA-N 396.329 2.886 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(Cl)cc1 12529473 HAGHMHOBQSGBCS-GOSISDBHSA-N 396.834 2.924 0 40 GFAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1 12505636 ASEHVVLKXTZFBY-NRFANRHFSA-N 376.504 2.819 0 40 GFAB OC1(c2ccccn2)[C@H]2CCC[C@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 100148923 JDJDYCZHWJXEGX-PMACEKPBSA-N 393.535 2.982 0 40 GFAB COc1cccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c1OC 57526520 UIMQDXDYHLODMD-UHFFFAOYSA-N 393.443 2.552 0 40 GFAB CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](CCC)C(=O)O)ccc12 2107439 ZHIQLSFZHQGMGB-MRXNPFEDSA-N 375.421 2.884 0 40 GFAB biogenic Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 22515124 RCDOHGVQTCZGQW-UHFFFAOYSA-N 388.489 2.788 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 21960205 CPPSMQYQQOCWIF-JOCHJYFZSA-N 395.503 2.959 0 40 GFAB Cc1ccc2nc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)sc2c1 12784531 TXGLJWDQNNBXBZ-LLVKDONJSA-N 390.494 2.501 0 40 GFAB CCOC(=O)[C@](NC(=O)NCCc1ccc(F)cc1)(OCC)C(F)(F)F 2227907 ORMZCPVHFVOYBW-HNNXBMFYSA-N 380.338 2.526 0 40 GFAB O=C(COc1nc2ccccc2nc1N1CCOCC1)Nc1ccc(F)cc1 3372506 UZODQZGXCKJMMV-UHFFFAOYSA-N 382.395 2.623 0 40 GFAB COCCNc1nnc(SCC(=O)N2CCCc3cc(OC)ccc32)s1 36630652 ACCYVIVUKSSJPO-UHFFFAOYSA-N 394.522 2.677 0 40 GFAB CCn1ccc(-c2cc(C(=O)N[C@H](C)Cn3ccc(C)n3)c3c(C)noc3n2)n1 36618007 RNHMCIMFHDNMBU-CYBMUJFWSA-N 393.451 2.738 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCOC(C)C)cc1 21780424 NDSAIYUKFVSYAT-UHFFFAOYSA-N 384.542 2.581 0 40 GFAB O=C(Nn1cnc2ccccc21)[C@H]1CCN(c2cccc(Br)c2)C1=O 59363326 PPRADCRVIOPTGH-CQSZACIVSA-N 399.248 2.922 0 40 GFAB CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 48356207 LENQXIKQTURFME-QGZVFWFLSA-N 382.464 2.623 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nc1 48355253 BKSXPTFZNSSHTH-INIZCTEOSA-N 396.447 2.679 0 40 GFAB COc1ccc([C@@H]2O[C@@H](C)CN(C(=O)c3ccc4c(c3)OCO4)O2)cc1OC 3618952 PWBBMFJXABAUDW-FKIZINRSSA-N 387.388 2.924 0 40 GFAB COCCOC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)N[C@H]1c1ccc(F)cc1 13097112 DMTJOZCNAQQJSC-AEFFLSMTSA-N 392.427 2.535 0 40 GFAB O=C(O)COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1Cl 13810116 DGEPEMZBWNFRGD-OVCLIPMQSA-N 386.816 2.574 0 40 GFAB CCc1ccc(C(=O)CN2C(=O)N[C@](C)(Cc3ccccc3OC)C2=O)cc1 5223194 UJMXROXJAUIBBN-JOCHJYFZSA-N 380.444 2.994 0 40 GFAB O=C1CCCc2cc(S(=O)(=O)NCCOc3ccc(Cl)cc3)ccc2N1 9096176 OAGXTBYFTQQEGY-UHFFFAOYSA-N 394.880 2.972 0 40 GFAB Cc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1C(N)=O 67312296 KEMMPKRRUSPDFF-UHFFFAOYSA-N 384.455 2.973 0 40 GFAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(c2ccc(O)cc2)CC1 7105645 MEIBNEVFPADIQU-UHFFFAOYSA-N 399.520 2.637 0 40 GFAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccnc3ccccc23)o1 96115214 YEXZZDOUTNQXJW-QGZVFWFLSA-N 394.427 2.583 0 40 GFAB biogenic CCCOC(=O)CCC(=O)NC(=S)Nc1ccc(OC[C@@H]2CCCO2)cc1 7447156 HZFFHKLBTCIILO-INIZCTEOSA-N 394.493 2.791 0 40 GFAB Cc1cc(NC(=O)CNc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)no1 9368595 DAHXHVURBXLMKG-UHFFFAOYSA-N 392.481 2.517 0 40 GFAB O=c1[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1C1CCCCCC1 9357722 QXUGYLTZZLUJHX-LJQANCHMSA-N 394.475 2.854 0 40 GFAB biogenic COc1cccc(CNCCCSc2nnnn2-c2ccccc2)c1OC 16228196 GHNPKQFXRKIDGL-UHFFFAOYSA-N 385.493 2.952 0 40 GFAB COc1ccc(CN2CCC(CNC(=O)c3cnn4ccc(C)nc34)CC2)cc1 68764897 XCTICHCSCWNZOA-UHFFFAOYSA-N 393.491 2.688 0 40 GFAB COc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)cc1 9421766 GDRRTBIRGCVQCP-IBGZPJMESA-N 387.461 2.764 0 40 GFAB O=C1COc2ccccc2N1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8038294 FZCYUPJXJWAGEL-INIZCTEOSA-N 394.427 2.547 0 40 GFAB CN(CCOc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O 8117256 ZLEYRMGPZZZUOT-UHFFFAOYSA-N 386.835 2.864 0 40 GFAB Cc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 8164601 KNWZEAHPKVJSMA-ZHACJKMWSA-N 384.501 2.682 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1=NN(c2ccccc2)C(=O)CC1 24024113 GGYGOJNHOLHVLB-UHFFFAOYSA-N 393.443 2.989 0 40 GFAB COCCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 409141533 VGJZWGGLLSAMCX-XGICHPGQSA-N 386.223 2.861 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 408592427 KJLFRVYCMXRUDQ-UHFFFAOYSA-N 389.477 2.892 0 40 GFAB O=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc(F)c(Cl)c1 62006715 KFJWAUBLGLAWLL-UHFFFAOYSA-N 389.749 2.615 0 40 GFAB Cc1cccnc1Nc1cccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72375835 PKKNJVNZSLFCDT-INIZCTEOSA-N 398.492 2.788 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700155 LXFHKPJLFQKEMP-FQEVSTJZSA-N 388.533 2.964 0 40 GFAB COc1cc(OC)cc(OCC(=O)NCCCc2ccc(OC)c(OC)c2)c1 218897076 NIFPFVBKNHRATN-UHFFFAOYSA-N 389.448 2.849 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 43726258 PIUFWGCIIJHPSK-MANSERQUSA-N 378.403 2.661 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)c1 225722470 TZWLCFKICHJIEV-OAHLLOKOSA-N 393.490 2.590 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2cccs2)cc1 77115123 CMEQYOHBDKYGEI-HNNXBMFYSA-N 382.507 2.745 0 40 GFAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 225618553 FCUDICJRXRDPNG-INIZCTEOSA-N 382.526 2.715 0 40 GFAB CN(C)c1ccnc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 224195524 WPYSUJUPCQRLCE-UHFFFAOYSA-N 384.461 2.813 0 40 GFAB Cc1ccccc1OCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 224375276 WIEIMDOLFAQBKH-UHFFFAOYSA-N 388.489 2.788 0 40 GFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 85332866 JFVOCWZGXLCLCR-RHSMWYFYSA-N 376.453 2.684 0 40 GFAB CC(C)(C)c1n[nH]c(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1 575101162 YEDLLGFVGNAQJT-ZACQAIPSSA-N 383.496 2.816 0 40 GFAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1 220168232 UDQKWFQJSAYEPA-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C 222823102 BDRNNRNTNIPFIJ-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB Cc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1C 223973964 ATXRLXOORFRCFH-UHFFFAOYSA-N 392.502 2.574 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1 225790314 NFCRVVVNSLMKFQ-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB Cn1nnc2c1C[C@@H](c1nc(-c3ccc(OC4CCOCC4)cc3)no1)CC2 573170723 JGHJPHHAFXPBHW-AWEZNQCLSA-N 381.436 2.695 0 40 GFAB Cc1cccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224279593 ZTFINRNPLAIOHZ-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB Cc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)nc(C)n1 577832583 NKKHNNVWBVCYPR-HNNXBMFYSA-N 386.418 2.984 0 40 GFAB CSc1ccccc1NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105226 IXTALBFUHGPNMB-UHFFFAOYSA-N 395.492 2.634 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccc(F)cc2)CC[C@@]1(C)O 604383086 HJNGIJLMVPSBJG-FDFHNCONSA-N 386.467 2.655 0 40 GFAB biogenic,in-vitro CC(=O)N1[C@@H](CNC(=O)CCc2ccccc2F)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257307011 SWWMEMFCWMICLF-RPUPUWCGSA-N 390.499 2.805 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)c2ccccc12 275340589 RNRGPIQZQSYZPR-CQSZACIVSA-N 390.461 2.674 0 40 GFAB COc1ccccc1C1(C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)CCOCC1 90610621 IZLLBZOIONVPQP-IBGZPJMESA-N 397.471 2.528 0 40 GFAB O=C(O)c1cnc(CN2CCOC[C@@H]2c2cccc(Br)c2)cn1 629364647 NGLHXIXZTIQIBL-OAHLLOKOSA-N 378.226 2.511 0 40 GFAB Cc1sc2nc(CN3CCCC3)nc(N3CCc4c(O)nn(C)c4C3)c2c1C 641677246 UAICWPKXRLZTRY-UHFFFAOYSA-N 398.536 2.906 0 40 GFAB Cc1ncn(-c2ccc(NC(=O)c3ccc(CN4CCOCC4)cn3)cc2)c1C 643323057 PPJWXTHOVIXBJU-UHFFFAOYSA-N 391.475 2.969 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C 575424023 RGTMUHGCWIAZHS-SFHVURJKSA-N 393.530 2.994 0 40 GFAB CCN1CCN(CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183605 MNGORGGDDFEZAV-IBGZPJMESA-N 397.494 2.562 0 40 GFAB O=C(c1cccs1)c1ccccc1C(=O)N1CCC(N2CCNC2=O)CC1 54318147 WBTNBOMHLUUWEF-UHFFFAOYSA-N 383.473 2.609 0 40 GFAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N(C)C)C(=O)N1CC2 72342068 BLNWBRDUNSESPO-OAQYLSRUSA-N 395.459 2.680 0 40 GFAB COc1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(C)cc3)cc2c1=O 11666391 PARHVUAQSCKIDH-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cc1 12183074 XJPRCFDKBLIFEL-UHFFFAOYSA-N 395.507 2.523 0 40 GFAB COc1ccc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1OC 12184735 VUWCMFLTGMWNQJ-OAHLLOKOSA-N 398.507 2.582 0 40 GFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3cc(OC)ccc3OC)ccc21 12214776 XVPNRVNNHDVLCL-GFCCVEGCSA-N 398.419 2.652 0 40 GFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cn1 15302249 JFYBXOUFEPMWCV-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB Cc1cccc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)c1 16951319 VORVOXAAGXTFNZ-UHFFFAOYSA-N 378.480 2.752 0 40 GFAB COc1ccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1 19445725 NIBODWYZBXMWRL-OAQYLSRUSA-N 392.459 2.897 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)N4CCC[C@H](C)C4)ccc3c(=O)n2CC1 19496477 SGOVPTADLNHBAA-INIZCTEOSA-N 382.508 2.535 0 40 GFAB CCOC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCN(CC(C)=O)CC1 19530182 LJHNIFMNGCXNAP-SFHVURJKSA-N 390.455 2.943 0 40 GFAB Cc1c(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cnn1C 19715579 BEZWNEMGPUYTDM-CQSZACIVSA-N 384.459 2.637 0 40 GFAB CCN(Cc1nc(=O)c2ccccc2[nH]1)Cc1nc(=O)c2ccc(Cl)cc2[nH]1 6907841 TWJMTFVURJFSJC-UHFFFAOYSA-N 395.850 2.835 0 40 GFAB Cc1cc(N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)n2nccc2n1 1888919402 AFKYEHPPNWXLHJ-UHFFFAOYSA-N 387.447 2.527 0 40 GFAB O=C(c1cccnc1)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840673 QHMSADITPOEEMJ-NRFANRHFSA-N 383.423 2.649 0 40 GFAB O=C(NCc1cccnc1N1CCCC1)c1ccc(OC[C@H]2CCCO2)nc1 253473253 TVWDOZBDODSRMD-GOSISDBHSA-N 382.464 2.565 0 40 GFAB O=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 631444 BLRZYMNNQKMECI-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 4165969 KQILPOAQDSDIER-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)c3cccc(OC)c3OC)CC2=O)cc1 5195823 LJBZIBLRYZGEDD-AWEZNQCLSA-N 384.432 2.638 0 40 GFAB Cc1ccc(C)c(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)c1 5169662 GGPSIBUMVOMKHP-UHFFFAOYSA-N 376.372 2.588 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1OC 5257278 NGQBRHFUIICGLS-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB COc1ccccc1OCC(=O)NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 9100460 JCCLZBNZDUVHSR-HNNXBMFYSA-N 390.823 2.869 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 10784634 LEJUKBFBDNVFQA-LBPRGKRZSA-N 397.547 2.875 0 40 GFAB O=C(Cc1ccsc1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751249 AOCQIPQXAPODPE-UHFFFAOYSA-N 383.517 2.996 0 40 GFAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4cccc(Cl)c4)CC3)[C@@H]1CN(C)C2 2055796174 KOMSZYQENMQPTA-LAUBAEHRSA-N 389.927 2.650 0 40 GFAB Cc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22577263 OEBAKPHNYCQVGT-IBGZPJMESA-N 396.491 2.834 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(OC)cc1 40013503 VVAOMPCPRBHVDW-IBGZPJMESA-N 396.443 2.638 0 40 GFAB COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC 20086297 SNGJBEACTWOCGA-GOSISDBHSA-N 397.383 2.809 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1C[C@@H]1CCCO1 30343215 SFAIJRFIOVZYFA-BTYIYWSLSA-N 399.447 2.527 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1 40158729 AFPXSWZZHUBROL-IBGZPJMESA-N 398.434 2.982 0 40 GFAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 30663289 CKPLIFLZELATFH-UHFFFAOYSA-N 395.806 2.780 0 40 GFAB O=C(COC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)Nc1cccc(F)c1 31507996 IQPLWBBZPVJYSE-ZDUSSCGKSA-N 390.436 2.921 0 40 GFAB CN1C(=O)c2ccc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc2C1=O 32776637 FCWCJJIQOVUCPF-INIZCTEOSA-N 380.400 2.723 0 40 GFAB CCOc1ncccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32787226 FFOIDXWJZGKGDF-UHFFFAOYSA-N 392.459 2.847 0 40 GFAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)[C@@H]1CCS(=O)(=O)C1 32842260 OHPUOHABMFEGKB-SSDOTTSWSA-N 380.369 2.568 0 40 GFAB COc1ccc(Cl)cc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1 32929853 QHDCFMYIHJVNOM-UHFFFAOYSA-N 393.892 2.848 0 40 GFAB COc1ccc(CNC(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)cc1 819367 YYQMRTANTHMOMK-FQEVSTJZSA-N 376.412 2.597 0 40 GFAB COc1ccc(C(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 1061354 AFCDHBCWEQPWLU-UHFFFAOYSA-N 381.432 2.778 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 1327514 BCRNONIXGAJOEZ-UHFFFAOYSA-N 399.472 2.918 0 40 GFAB CCC(=O)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378091 XMMWLYCLZLQFIV-UHFFFAOYSA-N 379.416 2.633 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1 2627519 SWNNPZOOPDTCIM-UHFFFAOYSA-N 391.225 2.864 0 40 GFAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(I)cc2)C1 3249138 KWDFFKPGCVAULV-NSHDSACASA-N 387.217 2.707 0 40 GFAB COc1cccc(CN(C)S(=O)(=O)c2ccc(F)c(F)c2F)c1OC 3331481 GAZOBVGFDCLUIK-UHFFFAOYSA-N 375.368 2.942 0 40 GFAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn23)cc1 4164981 HGFBFSBLVXGXAN-UHFFFAOYSA-N 398.473 2.987 0 40 GFAB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 4275146 YEHVDLGNXYCMQQ-UHFFFAOYSA-N 377.853 2.657 0 40 GFAB COc1ccc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 4601848 GCSFZZLKCIKIOS-MRXNPFEDSA-N 386.429 2.680 0 40 GFAB CCOC(=O)CNC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 4936319 IQTSCQVKUZMTKG-UHFFFAOYSA-N 395.484 2.992 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 4977236 IYMMCHFENGXCHT-UHFFFAOYSA-N 382.445 3.000 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 5155926 RGHZRXMAAGBOOI-JTQLQIEISA-N 385.417 2.768 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)NCc1ccco1 5187606 MVNYSQBQOWYFAG-UHFFFAOYSA-N 383.408 2.932 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC 5329444 MZBHQACWWUAMLL-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 6515775 OGGSQQJXPMRIFC-UHFFFAOYSA-N 396.516 2.872 0 40 GFAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6653437 UDLXBDYPSIYBNN-GFCCVEGCSA-N 376.503 2.942 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(OC)c2OC)cc1OC 7246638 ZLUQLXUVXCJRMA-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC1CCCCC1 7680261 UUNVIBBPXSFCPT-DHZHZOJOSA-N 393.505 2.844 0 40 GFAB CC(C)NC(=O)COc1cc(OCC(=O)NC(C)C)c(Cl)cc1Cl 7860342 QLDXQMHFGREIBE-UHFFFAOYSA-N 377.268 2.800 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCC(C)C)cc1Cl 7881260 ZTGBZJFXWRPNFC-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC[C@@H]1CCCO1 8327065 YFFHETZNAAFILP-HIFRSBDPSA-N 383.477 2.591 0 40 GFAB Cc1cc(C)c(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)c1 8667840 AWRAPEUJZQWCIW-UHFFFAOYSA-N 394.427 2.780 0 40 GFAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1oc(C(C)(C)C)cn12 8706093 CHWSDDUUFZGOMX-UHFFFAOYSA-N 386.839 2.940 0 40 GFAB O=C(CN1CCC(C(=O)NCc2cccs2)CC1)Nc1ccc(F)cc1 9067947 JRCGWBXIYCPSQI-UHFFFAOYSA-N 375.469 2.854 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)cc(=O)oc2C)c1 9452017 DHIVRYYOZAGCLC-UHFFFAOYSA-N 378.450 2.539 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ncnc2sccc12 9513196 BCPLRRJHLAJVJG-UHFFFAOYSA-N 397.485 2.679 0 40 GFAB Cn1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2)ccc1=O 10324807 AXBKRSHNTVZYDX-UHFFFAOYSA-N 381.866 2.963 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(CN2CCCCC2)cc1 11116915 MJHCBBUJIMNKPY-UHFFFAOYSA-N 394.519 2.834 0 40 GFAB CCc1nn(CC(=O)N(CC)Cc2ccco2)c(=O)c2cc3sccc3n12 12115308 ZEPWKHILGVCOFR-UHFFFAOYSA-N 384.461 2.915 0 40 GFAB CN(C)CC1CCC2(CC1)CN(C(=O)c1ccnn1C)Cc1ccccc1O2 12122502 VLOXREBBLLEHMU-UHFFFAOYSA-N 382.508 2.946 0 40 GFAB C[C@@H](CC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1)n1cccn1 12220658 KRHNGHPNORXXGV-RDJZCZTQSA-N 391.475 2.888 0 40 GFAB O=C(NC[C@H](O)c1ccccc1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321255 CSSVHXTWHIUJRY-RXVVDRJESA-N 391.471 2.870 0 40 GFAB Cc1c(NS(=O)(=O)c2ccccc2OC(F)(F)F)cccc1-n1cnnn1 12552499 LROJWEWMQMMPDZ-UHFFFAOYSA-N 399.354 2.670 0 40 GFAB O=C1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)c2ccccc2N1 12766145 GHKAMUXUTGHZGA-UHFFFAOYSA-N 398.469 2.985 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cnc2ccccc2n1 12866328 YPUVSUZSHDBJGA-TZIYXEQSSA-N 396.472 2.510 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCCC(=O)NC3CCCC3)n2)cc1OC 12887699 MQNKWVNYPDVYEO-UHFFFAOYSA-N 385.464 2.767 0 40 GFAB CCOC(=O)c1ccsc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 13003547 BUQXYMHHOXQZEG-UHFFFAOYSA-N 391.474 2.952 0 40 GFAB CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(=O)O)cc2)N(C)C)cc1 13073224 HTBILOFQKIBBNA-GOSISDBHSA-N 376.478 2.528 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc21 13610250 IMAUUZVRRZARCR-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB COc1ccc(C)cc1CN(C)CC(=O)NCC(=O)Nc1cc(C)ccc1OC 15517692 XFKRZQXCXGOPAW-UHFFFAOYSA-N 399.491 2.507 0 40 GFAB CN(CC(=O)Nc1ccc(OC(F)F)cc1)C[C@H]1COc2ccccc2O1 16629154 QMAOMDSVKSTDSE-HNNXBMFYSA-N 378.375 2.998 0 40 GFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3cc(OC)ccc3OC)N2C1=O 16735739 XSFUZZRMMUUWCG-HOCLYGCPSA-N 390.461 2.916 0 40 GFAB CCc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccccc5)no4)cnc32)cc1 16843392 MBUJQJNNOXKBRD-UHFFFAOYSA-N 399.414 2.638 0 40 GFAB C[C@@H](C(=O)NCCSCc1ccccc1F)N1C(=O)c2ccccc2C1=O 17604235 JLRBFNKQQWJNSE-ZDUSSCGKSA-N 386.448 2.860 0 40 GFAB CC(C)C(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 19085449 GUBDRKUCMVYJDG-SFHVURJKSA-N 395.507 2.737 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@H](C)Cn2nc(C)c(C)c2C)n1C 19556813 XBIOFYBMAODACM-ABAIWWIYSA-N 376.530 2.659 0 40 GFAB O=C1CN(C(=O)CN2CCC[C@H](COc3ccccc3F)C2)c2ccccc2N1 19658131 PKNCOALSEYIMNW-INIZCTEOSA-N 397.450 2.902 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)CCN3CCC[C@H](C)C3)cc2)ccc1C(N)=O 19700576 URSJLCVBGPETGS-INIZCTEOSA-N 394.519 2.894 0 40 GFAB CNC(=O)c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(OC)c(C)c2)nc1C 19711224 XJMWIDPJYDIZTA-IBGZPJMESA-N 381.476 2.973 0 40 GFAB CC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)C(=O)CC2 19741059 BYFKLPPPUDGWRF-SFHVURJKSA-N 379.464 2.733 0 40 GFAB CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1cccs1 21494767 CAOSBMORMAYBNM-MRXNPFEDSA-N 381.523 2.988 0 40 GFAB O=S(=O)(N1CCCCCC1)N1CCN(c2nc3ccccc3s2)CC1 22095241 QOJUJOZICPWVRJ-UHFFFAOYSA-N 380.539 2.539 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCCC(C)C 22248939 AVTULJPEOABULV-UHFFFAOYSA-N 390.933 2.912 0 40 GFAB Cc1nn2c(nc(NC3CCN(S(C)(=O)=O)CC3)c3ccccc32)c1Cl 22535172 JLSKJIKBLNKYDQ-UHFFFAOYSA-N 393.900 2.680 0 40 GFAB CN1CCN([C@@H](CNC(=O)Nc2ccccc2)c2ccc3c(c2)OCO3)CC1 22577214 VBZZJVYJCQVMEO-SFHVURJKSA-N 382.464 2.526 0 40 GFAB COc1ccccc1N1CCN(C[C@@H](O)COC[C@H](C)c2ccccc2)CC1 22608959 KIFPRKKBHVXVKI-PZJWPPBQSA-N 384.520 2.998 0 40 GFAB CCC(C)(C)NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C 27187338 ZJLTUROTAKNDQN-AWEZNQCLSA-N 376.482 2.725 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1C 29157639 FQKCKINUUMOSQY-UHFFFAOYSA-N 377.400 2.690 0 40 GFAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCc2ccccc21 31673660 PEIRDGWIFWNZJL-UHFFFAOYSA-N 384.501 2.818 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2s1 32071892 SHJCPSSUUXMZIY-MDZLAQPJSA-N 377.491 2.610 0 40 GFAB COc1cc2c(cc1/C=C/C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)O[C@H](C)C2 32672185 JROLNTHAUBOUDJ-ZJRFNNFUSA-N 387.354 2.642 0 40 GFAB COCCn1c(SCC(=O)NCCOc2cccc(C)c2)nc(C)c1C 32894040 IXMNIJWSKLWNHG-UHFFFAOYSA-N 377.510 2.742 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)c1ccccc1 32954657 BXIJLMPCJHYJRW-MAUKXSAKSA-N 389.473 2.804 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325505 LUAVYIONUYXBNJ-QGZVFWFLSA-N 387.505 2.844 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 34791413 LGMUWVDMUFBOAH-UHFFFAOYSA-N 393.476 2.647 0 40 GFAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCC(C(=O)O)CC3)c2c1 36358517 JJCYIQMCBNCCCM-QGZVFWFLSA-N 387.436 2.685 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38849481 DDFGJGMYDVAENX-GOSISDBHSA-N 390.461 2.559 0 40 GFAB COc1ccc([C@H](CNC(=O)CCN2CCSC2=O)N2CCCC2)cc1 40007673 DXYSDEKZRJYQEU-KRWDZBQOSA-N 377.510 2.507 0 40 GFAB O=C(CSc1nnnn1C1CCCC1)Nc1cnc(-c2ccccc2)nc1 40087113 KENMLDSBXZWJBT-UHFFFAOYSA-N 381.465 2.976 0 40 GFAB CC1=NN(c2ccc(C(=O)Nc3nc(CN4CCOCC4)cs3)cc2)CC1 40130255 JYOJBRMQUFEDSY-UHFFFAOYSA-N 385.493 2.814 0 40 GFAB CCn1nc(C(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c2ccccc2c1=O 40156848 HAKQOPQQTRYVOG-KRWDZBQOSA-N 392.459 2.633 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nc4ccccc4n3C)CC2)c1 44443718 FWAKNIBVLMSHGJ-UHFFFAOYSA-N 384.505 2.701 0 40 GFAB CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 49420768 NOLBXFPVANDCLV-UHFFFAOYSA-N 378.392 2.964 0 40 GFAB CNC(=O)[C@@H]1CCCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)C1 49421237 WPVVGVYZVUECRJ-CQSZACIVSA-N 382.489 2.922 0 40 GFAB C[C@H](C(=O)NC1CCCC1)N1CCCN(C(=O)c2ccccc2Cl)CC1 58165985 INBJHKPXLNLFAO-OAHLLOKOSA-N 377.916 2.935 0 40 GFAB COc1ccc(CC(=O)N2CCCN(C(=O)OCC(C)C)CC2)cc1OC 58216981 BQGNWEVUZJHXDR-UHFFFAOYSA-N 378.469 2.573 0 40 GFAB CS(=O)(=O)c1ccc(-n2nnnc2COc2ccc(Cl)c(Cl)c2)cc1 59927234 IHGOYELJDXYJJM-UHFFFAOYSA-N 399.259 2.952 0 40 GFAB COc1cccc2c1N(S(=O)(=O)c1cc(C)cc(C(=O)O)c1O)CCC2 65513444 LSDXCSIXVIRIQW-UHFFFAOYSA-N 377.418 2.549 0 40 GFAB C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 65624097 HSVGTSSLVJADAG-HOTGVXAUSA-N 380.483 2.965 0 40 GFAB COC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 71830284 HSDLJYNMGIQRGW-XJKSGUPXSA-N 379.412 2.715 0 40 GFAB Cn1nc(N2CCC[C@@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)ccc1=O 77100944 WTDYFNPCQDTXET-LLVKDONJSA-N 398.360 2.793 0 40 GFAB CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 84790982 PDKRINFLLZISHF-BZNIZROVSA-N 398.290 2.861 0 40 GFAB O=C(CC(=O)NCC(F)(F)F)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 95468210 ZZJSETVJJOTWML-AWEZNQCLSA-N 391.821 2.662 0 40 GFAB CCOc1cc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)n2)ccc1C 95976545 DFMHEWMGKZYBMO-UHFFFAOYSA-N 396.491 2.705 0 40 GFAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 96036863 MEMDWDSFZDFBSN-KRWDZBQOSA-N 388.537 2.703 0 40 GFAB COc1ccc(S(=O)(=O)NCC[C@@H](O)c2cc3ccccc3o2)cc1F 96097290 VOEFOWPPGWNJHP-OAHLLOKOSA-N 379.409 2.983 0 40 GFAB O=C(CCCc1nnc2ccccn12)N1CCN(C/C=C/c2ccccc2)CC1 96116909 JVGMPQFKYVECNA-JXMROGBWSA-N 389.503 2.910 0 40 GFAB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc(Cl)c1 96518225 PXBIKMWDZATMQS-VIFPVBQESA-N 393.029 2.895 0 40 GFAB COc1ccccc1CC(=O)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211661 DHDNLLFHMGCFFP-UHFFFAOYSA-N 376.460 2.977 0 40 GFAB O=C(CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1 100551950 RLVUUXLGVFNMSV-OAHLLOKOSA-N 376.384 2.969 0 40 GFAB CC(C)(CN1CCOCC1)CN1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100765383 FXIIEILIRAJEMW-PMACEKPBSA-N 376.516 2.999 0 40 GFAB COc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c(Cl)cc1O 100765628 BYXFKNDXERTLFW-KBPBESRZSA-N 377.872 2.802 0 40 GFAB CSc1cccc(N2C(=O)C[C@H](c3c(C)nn(-c4ccccn4)c3N)C2=O)c1 101712797 UPIVXSCLPHXDAY-OAHLLOKOSA-N 393.472 2.927 0 40 GFAB COc1ccc(O[C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 108643814 WZJUOPPDAKKLPS-QGZVFWFLSA-N 384.476 2.611 0 40 GFAB COc1ccc(-c2ccc(S(=O)(=O)N3CCC(n4ccnn4)CC3)cc2)cc1 206941616 KJQMNQHDYYVWHX-UHFFFAOYSA-N 398.488 2.980 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220082872 GICNQEYCJKRDFV-UHFFFAOYSA-N 384.404 2.687 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCO2 222393631 FTRPVEZPUJLEFR-MRXNPFEDSA-N 382.460 2.820 0 40 GFAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c(C)c1 224142616 HBHQSAZDJHZXRE-GFCCVEGCSA-N 382.511 2.789 0 40 GFAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1C 225440685 GKPNXRWHALWNMI-GFCCVEGCSA-N 382.511 2.789 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1N1C(=O)CCC1=O 225511938 WNTINQMMJCNSRC-UHFFFAOYSA-N 394.836 2.803 0 40 GFAB COc1ccc(OC)c(C(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c1 257220245 DKDSZUMMRPRAOG-SHTZXODSSA-N 395.463 2.845 0 40 GFAB COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1NC(=O)OCc1ccccc1 306145287 ALQXTIWPFGWCMW-GDBMZVCRSA-N 378.425 2.669 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1NC(=O)CC 408697246 IAJDPUYVYZLPSE-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 575404309 LNBWNNCORMCSCB-KRWDZBQOSA-N 396.491 2.700 0 40 GFAB O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cnc(OCC2CC2)cn1 585081244 SMSVYKBIJJCVRD-IBGZPJMESA-N 390.443 2.598 0 40 GFAB CO[C@](C)(C(=O)O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 663034530 GZEXKFZBDKGJGN-DOMZBBRYSA-N 380.199 2.522 0 40 GFAB CCCc1c(NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cnn1-c1ccccc1 666638990 SSLPJDVNUMXROR-CABCVRRESA-N 390.509 2.912 0 40 GFAB CCCn1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c(C)n1 1615159862 QBLPCRPNSAYQLX-JOCHJYFZSA-N 396.491 2.640 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615161686 ZZLOUJRDMIKGTQ-NRFANRHFSA-N 383.423 2.567 0 40 GFAB O=C(c1cnc2ccccc2n1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775973833 ZIHPGGNSMFZZHP-UHFFFAOYSA-N 383.411 2.551 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2nnc(C3CC3)o2)CC1 1848746206 FRKWSCIJYBGEHH-UHFFFAOYSA-N 379.464 2.878 0 40 GFAB Cc1cn2nc(OCC3CCN(C(=O)c4onc5c4CCCC5)CC3)ccc2n1 1888897994 BDHBPEMXDATDNT-UHFFFAOYSA-N 395.463 2.836 0 40 GFAB O=c1c2ccc(F)cc2ncn1CC1CCN(c2ncnc3c2CCC3)CC1 1888964001 BZBRGCLRCPNOGJ-UHFFFAOYSA-N 379.439 2.731 0 40 GFAB CC(C)c1ncnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)c1F 2298063134 XYOJEVAELWSTIB-UHFFFAOYSA-N 379.443 2.918 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)C(F)(F)F)cc2c1 1366900 QQDNNTYTMGQWRF-OAHLLOKOSA-N 398.381 2.997 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc1 1962003 WUYCNHWXXHMMAA-UHFFFAOYSA-N 387.388 2.676 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 22190538 FVRYLUVGDJQGTR-QGZVFWFLSA-N 395.503 2.959 0 40 GFAB C[C@]12CC[C@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 4082252 JPIDFRQBAGAXJM-DTFXXXOQSA-N 386.488 2.703 0 40 GFAB biogenic CC(C)NC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 53625301 AMZDXSZESJINNK-UHFFFAOYSA-N 388.777 2.799 0 40 GFAB COCCCn1c(C)nnc1SCC(=O)Nc1nc2ccccc2s1 4877399 JBBARHMOEYAQLD-UHFFFAOYSA-N 377.495 2.964 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NCc2cc(=O)n3c(C)csc3n2)cc1 22800431 BQJYFCHSCSAKTE-IBGZPJMESA-N 398.532 2.536 0 40 GFAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 6320449 IAZJUAZKARWALD-UHFFFAOYSA-N 376.294 2.874 0 40 GFAB COc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1F 7360502 CJVZNWZOTHJLSM-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)c1 52412378 GUSNFNIODCWAIZ-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCOc1ccccc1C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 24498394 PWKNLHFISTWIKI-UHFFFAOYSA-N 391.475 2.569 0 40 GFAB CCCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 22396136 UFUMUTUUVSHOIC-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB C[C@H]1CCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)c2ccccc2S1 35488991 FFDCLXTUKAFWLC-KXBFYZLASA-N 395.528 2.816 0 40 GFAB COc1ccc(CCNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1OC 48234691 KTDVCHUEIONUEE-QGZVFWFLSA-N 382.460 2.954 0 40 GFAB O=C(c1cccs1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 108701783 QRBFFGNSPTVBBQ-GJZGRUSLSA-N 384.457 2.565 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 23646884 BVIGMDZDIYHFLQ-SFHVURJKSA-N 388.489 2.971 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)c3cc4ccccc4cc3O)cc2N1 3309404 NBHHSULZIMAHHB-UHFFFAOYSA-N 377.352 2.916 0 40 GFAB Cc1cc(NC(=O)CN(C)C(=O)Cc2ccc(F)c(Br)c2)no1 48368375 RBNPOFIQEORPNV-UHFFFAOYSA-N 384.205 2.524 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1 10863263 SNLIWVCBCMZZPE-INIZCTEOSA-N 381.428 2.630 0 40 GFAB CCOc1cccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)c1 2326068 VPRFEWSVPBFQLK-SFHVURJKSA-N 398.459 2.567 0 40 GFAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccccc2)C1=O)c1ccc(F)cc1 2335357 TYCRHQFEBLABIY-INIZCTEOSA-N 381.285 2.775 0 40 GFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 28665671 NKAWRTLFMVEVNY-GOSISDBHSA-N 388.489 2.969 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)Nc1cccc(Cl)c1 12810728 TZEFTJUHQCVHIL-SNVBAGLBSA-N 393.900 2.804 0 40 GFAB CCOC(=O)c1sc2ncn(Cc3cn4cccc(C)c4n3)c(=O)c2c1C 11392092 LUFKOGKYQODPKJ-UHFFFAOYSA-N 382.445 2.948 0 40 GFAB Cc1cccc(OCCN(C)C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 29759506 MQQZQSMSLSEFKT-UHFFFAOYSA-N 381.476 2.780 0 40 GFAB CCCCN(C(=O)/C=C/c1ccc(C)cc1C)c1c(N)n(CCC)c(=O)[nH]c1=O 12938088 VCNGVIKOZQAEBT-ZHACJKMWSA-N 398.507 2.992 0 40 GFAB O=C(O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 408598139 XGZKBRDAWYFRIG-GHXNOFRVSA-N 391.177 2.686 0 40 GFAB CC(C)CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)cc1 2636196 SXYSOZXLVWYSQA-UHFFFAOYSA-N 382.457 2.772 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cnc2O)cc1 2620185 MVTOQXVWHQKHCE-UHFFFAOYSA-N 391.327 2.785 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)cs1 12949365 JDWVPZXGXKBACP-UHFFFAOYSA-N 397.504 2.520 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 12911295 FUWXBGYOBANUNB-MRXNPFEDSA-N 394.493 2.759 0 40 GFAB Cc1ccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 4142388 JKLWHFRPHNOWMT-LMVRJCEZSA-N 390.476 2.938 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)Nc1ccccc1 71279514 LBSNKOKALUDJPU-UHFFFAOYSA-N 385.423 2.850 0 40 GFAB Cc1ccc(NC(=O)CN2CCC(n3nnc(-c4cccs4)n3)CC2)cc1 4477309 YBZUJTBVCMJKDI-UHFFFAOYSA-N 382.493 2.986 0 40 GFAB Cc1cccc(OC[C@H](O)Cn2cnc3ccc(Br)cc3c2=O)c1 14186597 NRXWGQURLQVQOW-CQSZACIVSA-N 389.249 2.907 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)C1 5428240 CGYHPSGLEOOVMF-GFCCVEGCSA-N 390.436 2.609 0 40 GFAB COC(=O)c1c(SC)nn(-c2cc(Oc3ccccc3F)ncn2)c1N 4667861 BADFKSYQVCSCTQ-UHFFFAOYSA-N 375.385 2.684 0 40 GFAB C[C@H]1Cc2cc(C(=O)Oc3ccc(-c4nnco4)cc3)ccc2N1S(C)(=O)=O 14633532 GSZYMCKJWVUYQW-LBPRGKRZSA-N 399.428 2.666 0 40 GFAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCOCC2)c2ccccc21 4734655 GKJOXTFRBBFFJX-QFIPXVFZSA-N 389.455 2.582 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 6779469 KBUDHXSBEIVQQM-DJUYYZKXSA-N 383.488 2.908 0 40 GFAB COc1cc(CCC(=O)Nc2cccc(-n3cnnn3)c2C)cc(OC)c1OC 9377757 ICEMIQBZBRCAJY-UHFFFAOYSA-N 397.435 2.568 0 40 GFAB COc1cccc(CNC(=O)CCNC(=O)c2ccc(Br)cc2)c1 7780472 DGBQXKPSXBDLCD-UHFFFAOYSA-N 391.265 2.894 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)CCCOc1ccc(Br)cc1 7778535 SRMGRTAHMWPSFX-UHFFFAOYSA-N 385.302 2.981 0 40 GFAB Cc1csc2nc(CN3CCCN(c4nc5ccccc5[nH]4)CC3)cc(=O)n12 68453527 WBOANFLFQVWHNB-UHFFFAOYSA-N 394.504 2.653 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2F)c1 7972657 FBGDEIHSKYTYRU-UHFFFAOYSA-N 385.848 2.780 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccc(F)c1 18236478 MRVKAHOJYUAZSZ-IBGZPJMESA-N 394.406 2.763 0 40 GFAB Cc1cc2ncc(C(=O)N3CCc4c(cccc4N4CCOC4=O)C3)c(C)n2n1 72303024 UCKUGXUPCOMWNA-UHFFFAOYSA-N 391.431 2.501 0 40 GFAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 95432004 SPPRWBZYKWKRIA-CYBMUJFWSA-N 396.509 2.702 0 40 GFAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 95963960 DGHZJOSQPQDFLE-FUHWJXTLSA-N 396.491 2.888 0 40 GFAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 9955575 UZNQYVVAVFLBSW-UHFFFAOYSA-N 396.495 2.898 0 40 GFAB CONS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 89420675 QHRMGGUVYQBFDH-HNNXBMFYSA-N 396.465 2.632 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CN1C(=O)CCCc2ccccc21 89893737 XZVDPHMBRJNSCH-INIZCTEOSA-N 381.480 2.722 0 40 GFAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1F 61717473 QYNHDVSZVSSUKO-UHFFFAOYSA-N 390.846 2.949 0 40 GFAB C[C@H]1CCCc2sc3nc(NCCCN4CCOCC4)n4ncnc4c3c21 20479349 XOZZDAYOVXWEEP-ZDUSSCGKSA-N 386.525 2.913 0 40 GFAB Cc1ccccc1OCC(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997386 ONCQHLQXTGHRTF-UHFFFAOYSA-N 387.911 2.966 0 40 GFAB O=C(Cc1ccc(Cl)cc1)NCCN1CCN(c2ccccc2F)CC1 56997407 MNYIFBVXPYVVQM-UHFFFAOYSA-N 375.875 2.960 0 40 GFAB CCOc1ccc(C(=O)C2CCN(C(=S)NCCCN(C)C)CC2)cc1 35314290 QYXPCJFCIMOYKF-UHFFFAOYSA-N 377.554 2.806 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(N2CCCCS2(=O)=O)cc1 36091517 BRPIEPWCMOKDMF-UHFFFAOYSA-N 398.481 2.698 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 72345980 UMZOYTIWHZKSBE-KRWDZBQOSA-N 388.475 2.599 0 40 GFAB CCCc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCC3)C2)no1 72344750 UUEQPISGVJCCSL-CQSZACIVSA-N 385.468 2.606 0 40 GFAB Cc1nc(Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c2nn(C)c(C)c2n1 41070255 BMPMEDRUXFGHOB-MRXNPFEDSA-N 380.452 2.633 0 40 GFAB CC(C)Oc1cccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 225680120 BXOCUDQMOBTAEB-UHFFFAOYSA-N 392.502 2.866 0 40 GFAB CC(C)CN1C[C@@H]2CN(C(=O)c3ccc(N4CCC(C)CC4)nc3)CCN2C1=O 569991879 HXZKQBDZJXYKFP-IBGZPJMESA-N 399.539 2.536 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC(C)(C)C)cc1 224505165 LGLHSLVJGZXSRM-UHFFFAOYSA-N 390.596 2.677 0 40 GFAB O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)N1CCC2(CC1)OCCO2 49029660 HDAOAUTVNNQAJZ-UHFFFAOYSA-N 394.884 2.843 0 40 GFAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(N2CCOCC2)ncn1 77100887 PISZJOYOLIXIMT-UHFFFAOYSA-N 383.330 2.856 0 40 GFAB COc1nn(C)cc1C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200368 OYLVYKDBQDXMFS-GJZGRUSLSA-N 390.415 2.858 0 40 GFAB CCc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1 225955427 GGTYWMBGZQDJQF-GOSISDBHSA-N 376.478 2.877 0 40 GFAB CC(=O)Nc1ccc(CN2CCN3C(=O)N(Cc4ccccc4)C[C@H]3C2)cc1 96269109 QNMZXENOLJVRCP-OAQYLSRUSA-N 378.476 2.767 0 40 GFAB biogenic,in-vitro COc1cccc(-c2nc(CC(=O)NCc3nnc4ccccn34)cs2)c1 95479230 VHCOKLHZLJUAFJ-UHFFFAOYSA-N 379.445 2.720 0 40 GFAB Cc1ccc(CN2CCO[C@@]3(COCCN(Cc4csc(C)n4)C3)C2)s1 96049817 OUOQSTNJVGBPLZ-LJQANCHMSA-N 393.578 2.925 0 40 GFAB CN(c1ccccc1)c1ccc2ccc(C(=O)NCCN3CCOCC3)cn12 96146177 ZUEOQIXRJQUMCQ-UHFFFAOYSA-N 378.476 2.769 0 40 GFAB CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4cccnc4)cn23)CC1 96267409 YPEIWWLZOPJBET-UHFFFAOYSA-N 391.519 2.837 0 40 GFAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)Nc1nc(-c2ccncc2)cs1 96232507 PYWLRSBRMSAZOL-UHFFFAOYSA-N 384.461 2.853 0 40 GFAB COc1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)ccc1OCc1c(C)noc1C 584908089 MSEPINNPMNJODF-FQEVSTJZSA-N 388.420 2.816 0 40 GFAB COc1ccccc1O[C@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2OC)C1 585082154 QNIQKJQNQBCZNM-AWEZNQCLSA-N 396.447 2.669 0 40 GFAB CC(C)c1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)on1 257200743 AESINEGBKBDWQD-GUYCJALGSA-N 389.427 2.722 0 40 GFAB C[C@H](NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C)c1ncc(Br)cn1 624111660 APTZARMHMRXTAN-NRPADANISA-N 397.195 2.661 0 40 GFAB O=C(NCC1(c2ccccn2)CCC1)N[C@H]1CCS(=O)(=O)c2ccccc21 672702931 PFUSRWUWPHYBHQ-INIZCTEOSA-N 385.489 2.721 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NCc2cccc(Cl)c2)c1 575421178 NHBVVRFTWJZXNS-KRWDZBQOSA-N 378.881 2.869 0 40 GFAB NCC(=O)N1CCC(c2cccc(Nc3ncc(Br)s3)n2)CC1 585262854 AQNTXQASAYOAPK-UHFFFAOYSA-N 396.314 2.709 0 40 GFAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@]34CCC[C@H]3C4)CC2)cc1 585098135 LZVJTIAHFBVMBC-YWZLYKJASA-N 391.537 2.691 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)c(Br)n1 95458714 GHWUSZLFTOWEAQ-UHFFFAOYSA-N 399.266 2.979 0 40 GFAB CCCOc1c(Cl)cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1OC 78878499 NZAQIUZBANNCKM-OAHLLOKOSA-N 396.915 2.932 0 40 GFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(Oc2nncs2)CC1 828391869 RMTPQOZCQURWPR-UHFFFAOYSA-N 393.412 2.789 0 40 GFAB COCc1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1615153099 BHVPUQQOTQMTOD-UHFFFAOYSA-N 394.471 2.871 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615161011 VCTOMTKPAFIQPA-QHCPKHFHSA-N 394.471 2.662 0 40 GFAB C[C@H]1CN(c2ncc3c(n2)CCC[C@H]3NC(=O)Cc2cccs2)C[C@@H](C)O1 12241183 GRVAKSBYZUGMNF-JKIFEVAISA-N 386.521 2.888 0 40 GFAB CN(c1ccc2sc(C(=O)NCc3ccccn3)cc2c1)S(C)(=O)=O 13609736 FBGWKZMFCKNORH-UHFFFAOYSA-N 375.475 2.622 0 40 GFAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 15701054 ZGWGLSCCJGGYAJ-QPJJXVBHSA-N 378.354 2.737 0 40 GFAB O=C1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)CC1 19292051 DPKQQSFXVLEGTM-UHFFFAOYSA-N 395.385 2.608 0 40 GFAB CC[C@H](CN1CCOCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 19500394 JTANDAJVNZXMKR-CQSZACIVSA-N 392.500 2.795 0 40 GFAB CCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19503649 NURVOBSOJFYPFL-PMACEKPBSA-N 393.535 2.819 0 40 GFAB COc1cc(C)c(CN2CCc3nc4ccsc4c(=O)n3CC2)cc1OC 19567118 APQIEEYMFQKWHM-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)c1 19710997 XRGVXBPEKKQLJD-KRWDZBQOSA-N 397.523 2.596 0 40 GFAB CO[C@@H](C(=O)Nc1ncc(C(F)(F)F)cc1Br)[C@H]1CCOC1 622859365 UFXBFYDLYGSPKR-OIBJUYFYSA-N 383.164 2.853 0 40 GFAB CO[C@@H](C(=O)Nc1ncc(C(F)(F)F)cc1Br)[C@@H]1CCOC1 622859364 UFXBFYDLYGSPKR-GMSGAONNSA-N 383.164 2.853 0 40 GFAB Cc1cccc(CN2CC[C@H](NC(=O)c3cccnc3-c3cnn(C)c3)C2)c1 634277439 NNNWVABLJBLAIG-IBGZPJMESA-N 375.476 2.795 0 40 GFAB COCc1ccc(OC)c(S(=O)(=O)N2CC[C@H](C(=O)O)c3ccccc32)c1 656644348 MNNUGCULTAHKIH-HNNXBMFYSA-N 391.445 2.609 0 40 GFAB C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)cn2)c2ccsc2S1(=O)=O 558639431 JSNFINNEOXZUHQ-UFBFGSQYSA-N 388.417 2.782 0 40 GFAB O=C(Oc1cccc(F)c1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654505 LZVFAXFHZHFCLX-ZDUSSCGKSA-N 388.420 2.592 0 40 GFAB O=C(c1ccc2nccnc2c1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888922157 FWCXRJNXAAGQMH-BTYIYWSLSA-N 393.422 2.880 0 40 GFAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2ccncc2)CC1 21182261 NIQHCZSLIIIKNI-UHFFFAOYSA-N 386.304 2.895 0 40 GFAB O=C(NCCn1c(O)nc2ccsc2c1=O)c1cc(Cl)sc1Cl 238812142 AOICBJZKEMJHEI-UHFFFAOYSA-N 390.273 2.962 0 40 GFAB Cc1nc(COCc2cc3c(s2)CCN(C(=O)c2ncn(C)n2)C3)cs1 1565551522 RSPOFMLMVPIXGO-UHFFFAOYSA-N 389.506 2.557 0 40 GFAB CCCC(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O 4496109 GDMBXNXKQFZNFM-UHFFFAOYSA-N 395.462 2.838 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1C 9037017 JXBKBCXZWLZWMN-INIZCTEOSA-N 388.489 2.643 0 40 GFAB Cn1nc(COc2ncccn2)c2c1CCN(C(=O)c1cccc(Cl)c1)C2 2055781451 HCJSEESAYGTZBL-UHFFFAOYSA-N 383.839 2.641 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](COc2ncccn2)C1 1775968939 ZRGLDMBERBQUQN-OAHLLOKOSA-N 395.438 2.947 0 40 GFAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(-c2cccs2)n[nH]1 38679669 XIHPGPVWZAUVRS-MFKMUULPSA-N 390.490 2.875 0 40 GFAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)Nc1cccnc1 49029000 QRWAKBJNEKBEJI-UHFFFAOYSA-N 380.433 2.857 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ccncc2Cl)C1 575610258 GCYNLUCXTPKKPS-CQSZACIVSA-N 398.850 2.515 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575611058 UAKUQSZWNUPECV-KRWDZBQOSA-N 386.498 2.943 0 40 GFAB O=C([C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)N1CCC(F)(F)CC1 2298188615 ZBMVQGGCLPYVQP-NSHDSACASA-N 378.345 2.970 0 40 GFAB NC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCCCC2 4496367 ZGJNXCSHWHEWCO-UHFFFAOYSA-N 392.502 2.528 0 40 GFAB Cc1oc2c(c1C(=O)N1CCC[C@H](c3ncc4c(n3)CCNC4)C1)CCCC2 19581231 TWJBWIUNSJGYAK-HNNXBMFYSA-N 380.492 2.922 0 40 GFAB O=C(O)Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 25686589 LNFBETAWVZNJKF-OAHLLOKOSA-N 376.771 2.850 0 40 GFAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)c2ccccc2)CC1 40037375 XTIUVQVNKSHLGY-ZDUSSCGKSA-N 385.489 2.769 0 40 GFAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](O)COc1ccccc1 40089112 SQWRISLHFDVJCU-HIFRSBDPSA-N 394.265 2.773 0 40 GFAB O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)N1CCCc2ccccc21 40159837 GTDWABKQHFSJLY-UHFFFAOYSA-N 399.497 2.891 0 40 GFAB O=c1c(NCc2ccco2)c(NCc2nc(-c3ccccc3Cl)no2)c1=O 101693935 MLKLOZOYRVNSMO-UHFFFAOYSA-N 384.779 2.803 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4F)ncn3n2)cc1 21024549 QRYJNZDYSFWNMH-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 32902082 RHJKXWMRPHIBPK-GFCCVEGCSA-N 390.509 2.622 0 40 GFAB COC(=O)C[C@H](NC(=O)CCNC(=O)C1CCCC1)c1ccccc1Cl 33018090 ZTGQXRAKTMYVNW-INIZCTEOSA-N 380.872 2.757 0 40 GFAB CN1C(=O)N[C@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139944 FOMXGRXQNHKVHM-LALPHHSUSA-N 385.367 2.589 0 40 GFAB O=C(COC(=O)C1(O)CCCC1)N1CCC(c2nc3ccccc3s2)CC1 61248453 XCRZBPVEPVZIDH-UHFFFAOYSA-N 388.489 2.851 0 40 GFAB CCC(=O)Nc1cccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccc(OC)cc2)c1 1088747 MIWNSJAWUCFBSM-LJQANCHMSA-N 388.445 2.504 0 40 GFAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3SCC(=O)O)cc1 103316265 RAIPFMXXJBLVON-IBGZPJMESA-N 396.428 2.680 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)c1ccc(Cl)cc1-n1cnnn1 79475716 SHDFMDOHAOAEQM-UHFFFAOYSA-N 396.838 2.709 0 40 GFAB C[C@@H]1CCCN(C(C)(C)CNC(=O)CN2C(=O)CSc3ccccc32)C1 53392134 FPKZLIDFRCDSJA-OAHLLOKOSA-N 375.538 2.752 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 23248816 MBOVPJAPZSPUQV-SIKLNZKXSA-N 393.531 2.936 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940652 VSGRGYAYAWKYED-INIZCTEOSA-N 383.814 2.916 0 40 GFAB COc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1OC 8361593 HZBQLPRPJMZARS-INIZCTEOSA-N 398.459 2.690 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(Cc2ccccc2F)CC1 23442960 IIFHLDUMNHAPGY-IBGZPJMESA-N 399.491 2.973 0 40 GFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cccnc2)CC1 54454863 YMNZKIKMSBVIHH-UHFFFAOYSA-N 385.411 2.607 0 40 GFAB CSCc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)ccc1F 601661075 VCZQRCRTFHIQKK-GOSISDBHSA-N 385.468 2.933 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 23603557 ZWELFQOGNLZLDQ-CQSZACIVSA-N 388.489 2.678 0 40 GFAB NC(=O)Cn1ccc(NC(=O)c2cccc(OCc3cccc(Cl)c3)c2)n1 55323030 DXLJTQMLDFWTSN-UHFFFAOYSA-N 384.823 2.853 0 40 GFAB O=C(Nc1cccnc1N1CCOCC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 56164668 SWRBEGVMDHHCAO-ZDUSSCGKSA-N 392.868 2.765 0 40 GFAB O=C(c1cn(Cc2ccccc2)nn1)N1CCCN(Cc2ccccc2)CC1 26357917 SPDZCAKVJWVRHO-UHFFFAOYSA-N 375.476 2.675 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCCn2c(C)nc3ccccc3c2=O)n1 44655099 PASXRGUCQKZNTE-HNNXBMFYSA-N 395.507 2.751 0 40 GFAB CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 58138886 SDIPMJIASJSVAM-UHFFFAOYSA-N 385.445 2.932 0 40 GFAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCCO2 27602593 OMXCCQPMCNMUCV-XLIONFOSSA-N 396.491 2.978 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(C)cc2)n2nnnc2N3)cc1 10295213 CVWLNPYXACRKSU-GOSISDBHSA-N 387.403 2.847 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 20457189 WYDSUBSRAXIWHI-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=C(COc1ccccc1)Nc1ccccc1C(=O)NCCCn1ccnc1 10313214 RCTIKXKSYAEWHQ-UHFFFAOYSA-N 378.432 2.721 0 40 GFAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)Nc2nc(CC)c(C)s2)C1 58393244 RLAXYVGSQWNIGK-UKRRQHHQSA-N 380.558 2.969 0 40 GFAB CC(=O)c1cccc(OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c1 12757726 XNGUUTNRVKPKHH-QGZVFWFLSA-N 389.473 2.929 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1 11101636 HIPNLTQWOXZAOJ-CYBMUJFWSA-N 385.855 2.522 0 40 GFAB CCCNC(=O)CN(C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 11230137 HQAHTOVZGAAERB-IBGZPJMESA-N 391.562 2.742 0 40 GFAB COC(=O)[C@H](C)[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 118927936 RKZIYOHKBLFLTH-FWMJNESBSA-N 394.552 2.757 0 40 GFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 2619825 NPJBYWMLDYUBTN-GOSISDBHSA-N 375.787 2.885 0 40 GFAB CC[C@@H](c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1)N(C)C 2650978 CWWWLGFXGQTJSE-INIZCTEOSA-N 389.525 2.523 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccc2)N1Cc1cccnc1 8992280 WCTWVIZRYHZSPF-FPOVZHCZSA-N 380.469 2.931 0 40 GFAB O=C(NCc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccs2)CC1 12902570 HFDXLCLLCRPMRK-UHFFFAOYSA-N 386.473 2.688 0 40 GFAB CC(C)c1ccccc1OS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 12948672 MRXOPDBYEQNVNF-UHFFFAOYSA-N 383.491 2.828 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2cnn(C)c2C)sc(CC)c1C 13297306 ICZXPARSXIKYKQ-UHFFFAOYSA-N 393.465 2.633 0 40 GFAB Cc1nnnn1-c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 71283492 WCJJIIZKMSJIHJ-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc2cnccc12 83295766 ZYSUPDFXPOJRSC-AWEZNQCLSA-N 391.493 2.865 0 40 GFAB in-vitro C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 5289443 HGTIYJRKONBXFH-XJKCOSOUSA-N 376.478 2.728 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1OC 5532290 NWFRKZOXOIDFHL-UHFFFAOYSA-N 382.416 2.701 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3cc(OC)c(OC)cc3oc2=O)cc1 4743031 QKGZMZBRAYITGD-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 4740075 LYFLKRLDRAELQE-UHFFFAOYSA-N 385.825 2.701 0 40 GFAB COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC 5824922 BMYNCGIWNURGNI-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1C 9426962 WYHFLYNAPPHUGH-QGZVFWFLSA-N 394.537 2.807 0 40 GFAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8025565 NYVKMAYECDKHEL-UHFFFAOYSA-N 399.516 3.000 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2C)cc1 8131013 JFQIAHCXNPPRKD-UHFFFAOYSA-N 381.461 2.620 0 40 GFAB CCc1ccc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1 16732998 AEXQRTBLWPBRCD-PDGQHHTCSA-N 391.452 2.853 0 40 GFAB COc1ccccc1OCC(=O)NS(=O)(=O)c1cc(Cl)sc1Cl 69641550 UBNNRUADDGAWFA-UHFFFAOYSA-N 396.273 2.947 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1 18132917 MQYWWNISNRUNFS-UHFFFAOYSA-N 395.503 2.774 0 40 GFAB COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1OC 8762742 KCXPKQKLBBJLDC-UHFFFAOYSA-N 382.416 2.725 0 40 GFAB Cc1cc(OC(F)F)c(C(=O)N(CCO)CCOCC(F)(F)F)s1 84081704 HNFLUFURCASZEW-UHFFFAOYSA-N 377.331 2.671 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(C(=O)O)oc1C 95940678 YFDUDCLSWZRGKK-UHFFFAOYSA-N 383.422 2.514 0 40 GFAB Cc1cccc(CN2CC[C@H](NC(=O)CCn3cc(Br)cn3)C2)c1 1557759940 CGXNZVNHPOJENZ-KRWDZBQOSA-N 391.313 2.735 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccccc4F)C[C@@H]2S3(=O)=O)cn1 306140343 UQPCRQREYGJSNH-RXVVDRJESA-N 397.475 2.982 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(-c3c(C)nn(C)c3C)[nH]n1)CC2 524735054 RLJLMXDONLROIN-HNNXBMFYSA-N 395.463 2.862 0 40 GFAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccs1 71980589 MRWRPPMAYMBVMJ-MRXNPFEDSA-N 386.473 2.666 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218527000 DFNOHQDZDNWXQD-LNLFQRSKSA-N 393.892 2.788 0 40 GFAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 36615069 PZVMDVMNOBLZQE-UHFFFAOYSA-N 390.843 2.751 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1 30868071 HJVMFJVNVXFJCP-UHFFFAOYSA-N 384.461 2.564 0 40 GFAB COCCC(=O)N1CCC(c2cncc(Oc3ccc(NC(C)=O)cc3)n2)CC1 72362400 NUZXTNSZAQYYSV-UHFFFAOYSA-N 398.463 2.970 0 40 GFAB CC(C)c1ncc(CN2CCC(n3nnc4c(O)nc(C5CC5)nc43)CC2)cn1 72337263 KQNTZLHUEDCALU-UHFFFAOYSA-N 394.483 2.555 0 40 GFAB O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 43732255 TUPGAUYJEKFXRT-SNVBAGLBSA-N 376.210 2.541 0 40 GFAB CN(Cc1ccccc1F)C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 226049752 PEJSBENBCHTRKF-UHFFFAOYSA-N 398.887 2.899 0 40 GFAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 224052850 APBOZRBWSVLKRR-UHFFFAOYSA-N 392.502 2.574 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1 47227889 KPJAYVGEORKIQF-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223266965 KBBRVFPXEWWWMH-UHFFFAOYSA-N 380.897 2.760 0 40 GFAB CCCc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 223977421 NNSJSKUFJDDNDD-UHFFFAOYSA-N 377.462 2.768 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)OC)c(C)cc21 223356805 PPKNIURCJMUBIB-UHFFFAOYSA-N 390.417 2.510 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 96496966 BHCAYWNRGCOWLO-QFIPXVFZSA-N 379.504 2.918 0 40 GFAB O=S(=O)(c1ccccc1)N1CC[C@]2(CCCN(CC3CCOCC3)C2)C1 96215405 ZMERTIOPMNLXGM-FQEVSTJZSA-N 378.538 2.590 0 40 GFAB COCCc1nnc(NC(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)s1 247819438 CLPCSHHQZOPHJC-MYEBOKNISA-N 399.472 2.726 0 40 GFAB CC[C@@H](NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC)cc1 253375491 PYVVQIMJFZIKET-OVWALXMSSA-N 384.476 2.684 0 40 GFAB O=C(CN1CCCCCC1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257206916 BFLQCOQXZCZLOW-QGZVFWFLSA-N 382.512 2.524 0 40 GFAB CCN1CCN(CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257202555 AMHRPHSFWLZTJC-LJQANCHMSA-N 397.494 2.691 0 40 GFAB CC(=O)N1CCC(c2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 257285806 PIYRTGBZKKZXIB-SFHVURJKSA-N 380.448 2.770 0 40 GFAB C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H]2CCOC2)CCO1 670329935 GPVHZWKIOVLVBI-JKSUJKDBSA-N 381.480 2.698 0 40 GFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 96099609 DKEFZKVUSRCSCD-UHFFFAOYSA-N 391.464 2.842 0 40 GFAB O=C(CC1CCC(F)(F)CC1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 638441620 YAWZNAPBAGIWNX-INIZCTEOSA-N 395.498 2.741 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)cc1 647623185 XJZWBNXDHKYRKJ-DZGCQCFKSA-N 392.481 2.516 0 40 GFAB CC(C)(CCC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 72307492 REPRUBWAOPZYNV-UHFFFAOYSA-N 396.509 2.750 0 40 GFAB CN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 58407646 VIVJEBCREQPPIC-HOCLYGCPSA-N 395.345 2.669 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(CN4CCOC4=O)c3)C2=O)cc1 89633380 CDSWWUKHVYVINB-SFHVURJKSA-N 379.416 2.691 0 40 GFAB CC(C)N(C)c1ccccc1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 632851559 ORIIWGMPHHUUSC-KRWDZBQOSA-N 380.448 2.611 0 40 GFAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2ccc(F)c(F)c2)c1O 1547205774 FMVYEYKCYJCTQM-AWEZNQCLSA-N 395.402 2.872 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)cn23)n(C)c1=O 5251773 AHWFOBUGLJASGD-UHFFFAOYSA-N 385.855 2.819 0 40 GFAB C[C@@H]1O[C@H](NC(=O)c2ccccc2F)[C@H](NC(=O)c2ccccc2F)O[C@@H]1C 5530644 FKTZWRKOVOUXRB-JARDSOJUSA-N 390.386 2.601 0 40 GFAB CC(C)(C)c1nc(O)c2nnn(C3CCN(C(=O)c4ccccc4F)CC3)c2n1 12219954 SFHJXAQIRKAUFR-UHFFFAOYSA-N 398.442 2.841 0 40 GFAB COc1ccc(C2=NN(C(=O)[C@@H](O)c3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 12473702 NWHYROFGMCUXAE-WMZOPIPTSA-N 394.349 2.616 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 16032229 LJRIVTUSWACFJC-UHFFFAOYSA-N 378.450 2.597 0 40 GFAB Cn1ccnc1-c1nc(NCCN2CCOCC2)ncc1-c1cccc(Cl)c1 19291677 JCIMYZBZROUSCO-UHFFFAOYSA-N 398.898 2.942 0 40 GFAB O=C(Cc1ccncc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19405059 IEAFUUUCNOMKJO-UHFFFAOYSA-N 380.473 2.842 0 40 GFAB COc1ccc(CN2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c(OC)c1 19590712 HZSYGPANYUKWCD-UHFFFAOYSA-N 382.508 2.861 0 40 GFAB COC(=O)[C@](NC(=O)c1ccc(C)cc1)(Nc1ccc(C)cn1)C(F)(F)F 19944467 ROSLCISOGSLYBC-QGZVFWFLSA-N 381.354 2.972 0 40 GFAB O=C1CC2(CCN(Cc3ccc4c(c3)OCCO4)CC2)Nc2ccccc2CN1 2037978400 UXRMZDUOBPGOSD-UHFFFAOYSA-N 393.487 2.924 0 40 GFAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(C(C)C)cc1 4037340 HFTTWJOZPDZNPT-YXTQBTIXSA-N 390.476 2.976 0 40 GFAB biogenic Cc1ccc(N(C(=O)c2ccc3c(c2)OCO3)[C@H]2C=CS(=O)(=O)C2)cc1C 4165408 LGDDNJXRKRHNGQ-KRWDZBQOSA-N 385.441 2.990 0 40 GFAB COc1ccc(N2C(=O)N(c3cccc(C)c3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4387466 RCDXQGIDBCMNIK-MOPGFXCFSA-N 386.473 2.924 0 40 GFAB Cc1cccc(-n2c(-c3ccccc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 4624319 NOANLDRCHPLKRV-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB COc1ccccc1/N=c1\oc2cc(OC(C)=O)ccc2cc1C(=O)NC(C)=O 5173725 FTWFOFWTLWNMQV-LNVKXUELSA-N 394.383 2.875 0 40 GFAB CCCc1cc(=O)n(CC(=O)Nc2cccc(C)c2)c(-n2nc(C)cc2C)n1 5254695 RBFISFZHHAJXED-UHFFFAOYSA-N 379.464 2.945 0 40 GFAB COc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(OC)n1 11765405 SHZQWUDKQBGSRL-UHFFFAOYSA-N 395.822 2.640 0 40 GFAB CC(=O)c1cccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)c1 16849680 PHVHGXKCDIGLTH-UHFFFAOYSA-N 393.447 2.655 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 23143496 ITZJRVZPORITQF-UHFFFAOYSA-N 380.441 2.778 0 40 GFAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccn(C)c1=O 23136248 HTTSQFKGMODINJ-UHFFFAOYSA-N 389.868 2.565 0 40 GFAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 225495469 OLUSXTXAUMSPJG-GFCCVEGCSA-N 382.342 2.583 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccnc(N2CCCC2=O)c1 575618833 JFYCMJKGBTVILC-UHFFFAOYSA-N 379.869 2.649 0 40 GFAB O=C(NCCn1cc(-c2ccoc2)cn1)c1ccccc1S(=O)(=O)C(F)F 575615402 OPNMDLCKUAPBND-UHFFFAOYSA-N 395.387 2.569 0 40 GFAB O=C(NCc1nnc2ccccn12)[C@H]1CCCN(c2nc3ccccc3s2)C1 40115422 QLZAUQOJPJNYAQ-AWEZNQCLSA-N 392.488 2.872 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 31505726 QIENEWHJELXACN-KRWDZBQOSA-N 377.448 2.521 0 40 GFAB COc1ccccc1-c1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1 32830287 UDFQRZVHNIMZPK-UHFFFAOYSA-N 390.399 2.859 0 40 GFAB COc1cc(NC(=O)NCCCc2nnc3ccccn23)cc(OC)c1OC 79019420 PCEHPYRUFNUOCX-UHFFFAOYSA-N 385.424 2.509 0 40 GFAB CN1C(=O)C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1 79479404 QKOMJWJWQGIBIT-JTHBVZDNSA-N 391.515 2.987 0 40 GFAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc2c(c1)OCCO2)CC3 33632264 OIUZWAAPXTYSMU-LCYFTJDESA-N 376.368 2.810 0 40 GFAB COCCNC(=O)[C@@H](OC(=O)c1cc2sc(C)cc2n1C)c1ccncc1 4924332 NVLFGEPLVLDAST-KRWDZBQOSA-N 387.461 2.604 0 40 GFAB CCOC(=O)C(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967128 RQUGWOIMMMTWII-UHFFFAOYSA-N 379.869 2.675 0 40 GFAB CCN1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 6953441 AEHQFRNSUSREPP-OAQYLSRUSA-N 399.516 2.832 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2)n(C)c1 23445210 ZMZKOINXFMJRMP-OAHLLOKOSA-N 377.510 2.589 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NCc1ccco1 9336755 LJCXWDWPYXDHDI-INIZCTEOSA-N 396.534 2.613 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(OC(F)F)cc1 3283951 PNPPGAJPUOCLNW-UHFFFAOYSA-N 379.315 2.855 0 40 GFAB C[C@@H](CNC(=O)COC(=O)C1(O)CCCCC1)c1nc2ccccc2s1 58008461 XQWWGNCYNJMYOF-ZDUSSCGKSA-N 376.478 2.754 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1C[C@@H]1c1ccccc1Cl 84502001 BYVFPJSAZPOTQV-HUUCEWRRSA-N 389.883 2.814 0 40 GFAB Cc1ccc(CNC(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 10281056 CGRKWBMKSUICBR-UHFFFAOYSA-N 394.519 2.575 0 40 GFAB COc1ccccc1[C@H]1c2c(-c3ccc(C)cc3)nnc(O)c2Nc2nnnn21 10232578 NLQWEMUUBNERTF-SFHVURJKSA-N 387.403 2.847 0 40 GFAB COc1cc(CN(C)C(=O)N[C@@H](C)C(=O)N2CCCCC2)ccc1SC 58264422 QMEVLQXJOOXYIC-AWEZNQCLSA-N 379.526 2.960 0 40 GFAB COc1ccccc1N(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 2262713 DPEIVCCRZOZFHN-CQSZACIVSA-N 391.221 2.985 0 40 GFAB aggregator Cn1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(=O)n(C)c1=O 28225677 AVYROFMHQJFGKX-UHFFFAOYSA-N 384.244 2.858 0 40 GFAB Nc1cc(N)cc(C(=O)Nc2cccc(NC(=O)c3cc(N)cc(N)c3)c2)c1 2317920 NGWWXPBZYIVFSC-UHFFFAOYSA-N 376.420 2.520 0 40 GFAB O=C(CNS(=O)(=O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 21111711 GMEXLXWQWZLUHO-UHFFFAOYSA-N 380.369 2.564 0 40 GFAB CC(C)(C)[C@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 48301384 RMYMVSOADGRGPP-GOSISDBHSA-N 375.494 2.650 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc(Cl)cc1Cl 2627944 VYVFGNCULOBHGC-UHFFFAOYSA-N 384.263 2.517 0 40 GFAB CCOc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 38834384 CGXIDSHCGAMZJL-GOSISDBHSA-N 390.461 2.641 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2nccc3ccccc23)cc1OC 64734661 NMOVTYXHIZPCTA-UHFFFAOYSA-N 380.400 2.725 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C2=O 4515474 LITUCMKDDDWCKJ-HXOBKFHXSA-N 397.519 2.968 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1F 71335289 QFNPLQRSIOGABP-CQSZACIVSA-N 388.418 2.824 0 40 GFAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1ccc(O)cc1 5693919 BRIHDBOJKUPLGU-UHFFFAOYSA-N 393.417 2.746 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(c3ccc(OC)cc3OC)=NO2)c1 6759828 VSTYYCCMLBGODL-LJQANCHMSA-N 386.404 2.853 0 40 GFAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 15359328 KWGYSFPGBWTGLQ-GOSISDBHSA-N 388.489 2.686 0 40 GFAB COC(=O)c1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335981 VOGWKMRYAPRMNP-UHFFFAOYSA-N 382.401 2.829 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)s1 306132634 LOBOMBBAXCJXQP-NRFANRHFSA-N 392.484 2.863 0 40 GFAB COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3cn4ccccc4n3)C2=O)cc1 9338298 IMTDOSKOWHTHHM-OAQYLSRUSA-N 378.432 2.786 0 40 GFAB O=C(NCCCN1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 29840193 GCNGYISAZCXADZ-UHFFFAOYSA-N 377.488 2.992 0 40 GFAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NC[C@@H]1CCCO1 7986895 FZBZDBPZKXNJER-AWEZNQCLSA-N 387.436 2.559 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 16751791 MBDBRNUOPVBJBO-UHFFFAOYSA-N 386.817 2.535 0 40 GFAB CCOC(=O)[C@@H](C(C)=O)C(c1cc(F)cc(F)c1)[C@H](C(C)=O)C(=O)OCC 66054497 MSJLSONBWFGZRX-HOTGVXAUSA-N 384.375 2.585 0 40 GFAB CC(=O)c1cn(CC(=O)NCCCc2nnc3ccccn23)c2ccccc12 95477952 JJPLPJBTPAQAGE-UHFFFAOYSA-N 375.432 2.636 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 89404467 WZULSODSLVVIBP-GOSISDBHSA-N 388.851 2.966 0 40 GFAB COc1ccccc1N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22362570 XTQVVOVKMUGVLB-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CCc1ccc(CN2CCC3(CC2)CN(C(=O)OC)Cc2nnc(C)n23)cc1 306134606 NTMKVRZEIGPELV-UHFFFAOYSA-N 383.496 2.722 0 40 GFAB O=C(c1ccccc1F)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306127913 GKLVKOCFKWBPQQ-VQTJNVASSA-N 390.418 2.744 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 28414878 YDUVKHSGILDHAD-KRWDZBQOSA-N 387.390 2.717 0 40 GFAB CN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 60387175 OFCZPBKCZFCIIH-UHFFFAOYSA-N 390.480 2.885 0 40 GFAB Cc1nn(C)cc1CN(C)C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 36616603 WBUXLNHBRJPFMN-UHFFFAOYSA-N 378.436 2.851 0 40 GFAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCCC1)N1CCCC1 34784534 YGKTUZPQIPDNHW-UHFFFAOYSA-N 386.521 2.763 0 40 GFAB CCCCCC(=O)O[C@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 35464577 AKSMCYXVBDZJRK-XTNBKJMLSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 71327819 WLHJZEWZLVDWMR-UHFFFAOYSA-N 387.386 2.980 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(F)c(F)c1 225317820 FTBKCSTWNFMFAV-UHFFFAOYSA-N 392.493 2.523 0 40 GFAB CCc1ccc(OCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 223617631 RTYINQYZPVLBDF-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CC(C)CSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 224038834 LGAYGGCTQBGAFL-UHFFFAOYSA-N 386.524 2.910 0 40 GFAB COC(=O)c1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)ccc1Cl 222414318 PPPXRBOJXDQRAP-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)nn1-c1cccc(F)c1 578489839 QPMQEKJQFRIVJV-YJBOKZPZSA-N 398.442 3.095 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccccc1F 96518284 JRBLVSMMGNCOSV-SNVBAGLBSA-N 390.601 2.771 0 40 GFAB O=C(NC1CCCC1)C1=NO[C@H]2CCC3(CCN(C(=O)Cc4ccco4)CC3)[C@@H]12 247804978 AFCHSOMSFILDDD-PKOBYXMFSA-N 399.491 2.655 0 40 GFAB Cc1ccc(Nc2nccc(C3CCN(C(=O)c4cnccn4)CC3)n2)nc1 257277616 NYSWMAFQDSLNNM-UHFFFAOYSA-N 375.436 2.733 0 40 GFAB CCOCc1nc(C)c(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)s1 592725415 OQJGGNIWJINRGM-CQSZACIVSA-N 394.497 2.534 0 40 GFAB CCc1cccc2c(CC(=O)N3CCc4nc[nH]c4[C@@H]3c3ccnn3C)c[nH]c12 633531149 JTUBVJXVARACQF-QFIPXVFZSA-N 388.475 2.904 0 40 GFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cnc1O 635140593 GBPUZOMUSXWBOB-INIZCTEOSA-N 395.381 2.609 0 40 GFAB CO[C@](C)(C(=O)O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 663034533 GZEXKFZBDKGJGN-WFASDCNBSA-N 380.199 2.522 0 40 GFAB C[C@H]1CC[C@H](NC(=O)NCc2nc(-c3ccccc3F)cs2)CS1(=O)=O 664773690 HVBRYWKWSWFXOV-RYUDHWBXSA-N 397.497 2.714 0 40 GFAB CCn1ccnc1CN1CCN(C(=O)CCc2c[nH]c3ccc(C)cc23)CC1 673667903 LLGVATLAMLTKFV-UHFFFAOYSA-N 379.508 2.970 0 40 GFAB Cc1noc(-c2ccccc2C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1 607777698 SLVNRPBEJJMZSF-UHFFFAOYSA-N 398.444 2.738 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3S(C)(=O)=O)CC2)c1 585113228 MVOKBHSTDCNQCD-LJQANCHMSA-N 378.538 2.970 0 40 GFAB CCC1(N2CCOCC2)CCN(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 685939069 KTJZQFGLFZSMKN-SJLPKXTDSA-N 375.916 2.978 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 57638349 SSZKVVJVYGKSBW-MRXNPFEDSA-N 396.443 2.826 0 40 GFAB Cc1ccc(-c2cc(NC(=O)CN3CCN(Cc4ccccn4)CC3)on2)cc1 96319185 BVFXQQXFBYSGIN-UHFFFAOYSA-N 391.475 2.801 0 40 GFAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1OC(C)=O 5578096 XDZFPVTZERQHKU-KRWDZBQOSA-N 376.409 2.590 0 40 GFAB CCOC(=O)C1CCN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC1 12275279 AFUXOQAIJYHSGB-UHFFFAOYSA-N 393.447 2.969 0 40 GFAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1 12738186 ANFAPYJOHRHQPN-UHFFFAOYSA-N 383.809 2.934 0 40 GFAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccncc1 16755869 ASBAFKZLKCIPLL-UHFFFAOYSA-N 376.445 2.938 0 40 GFAB COc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O 19129185 IBHKOUIWDFMFLH-HNNXBMFYSA-N 397.479 2.722 0 40 GFAB COc1ccc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)cc1OC 19240310 NHVRNWTUZMTKDQ-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB Cc1cc(N2CCC[C@@H](N(C)S(=O)(=O)c3cccc(F)c3)CC2)nc(C)n1 19749795 DXIXSPPDEMEBJL-QGZVFWFLSA-N 392.500 2.912 0 40 GFAB CCOCC(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643559813 BVMZTOLEKMJLAY-QFIPXVFZSA-N 388.508 2.553 0 40 GFAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1ccccc1 10255250 CDXHXORSSOKCAN-OAHLLOKOSA-N 385.489 2.642 0 40 GFAB CN1CCC(N(C)CC(=O)N[C@@H](Cc2cccs2)c2nccs2)CC1 12226087 DCZFFCGPATZANP-INIZCTEOSA-N 378.567 2.631 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)C1 253491962 OJQQEOSMJARWOM-ZACQAIPSSA-N 379.526 2.764 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)OCc3ccccc3)C[C@H]2CO)C1 585164661 DBANJPGUKCBLRH-LAUBAEHRSA-N 390.480 2.875 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(Cl)cc3c1OCOC3)CS2 5876747 QTTZGKAWLSDVJH-DYVFJYSZSA-N 383.853 2.704 0 40 GFAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cccc(C(=O)NC2CC2)c1 11618342 IUGQLGNUOZXRNI-UHFFFAOYSA-N 392.459 2.756 0 40 GFAB Cc1c(C(=O)O)cccc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C 287339313 WPIYARZDMRFBNA-QAPCUYQASA-N 388.489 2.635 0 40 GFAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)C[S@](=O)C2 4105708 RQOJVQWVCMDNQC-MUUNZHRXSA-N 395.440 2.924 0 40 GFAB O=C(NCc1cccs1)c1csc(NS(=O)(=O)c2cccs2)n1 11693223 BZFLXADYRSNVIY-UHFFFAOYSA-N 385.517 2.997 0 40 GFAB COc1ccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cc1 2055746085 INAGZWXQZGCZIK-UHFFFAOYSA-N 386.521 2.877 0 40 GFAB Cc1ccc(CNC(=O)C(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1 101078801 SQIFUJSIPPCKEA-AWEZNQCLSA-N 377.444 2.646 0 40 GFAB O=S(=O)(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccnc1 38670416 MTYGEGKEYRTTAC-UHFFFAOYSA-N 393.432 2.602 0 40 GFAB CCCc1nnsc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 44006435 RGDUFLSGQIGKJT-UHFFFAOYSA-N 390.484 2.912 0 40 GFAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575615524 DJTMOALYLOBYFN-CQSZACIVSA-N 389.415 2.857 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)c3ccc(Br)cc3)CC2=O)c1 5194861 WCRVTCGXQPRDRV-AWEZNQCLSA-N 389.249 2.993 0 40 GFAB O=C(NCCC(=O)N1CCCc2ccccc21)[C@@H]1CC(=O)N(c2ccccc2)C1 40122582 HVINRUUQFJJICZ-GOSISDBHSA-N 391.471 2.525 0 40 GFAB COC(=O)c1c(SCC(=O)N[C@@H](c2cccs2)C(C)C)nc(=O)[nH]c1C 31617957 YCXXBIIZVUFUBO-CQSZACIVSA-N 395.506 2.532 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccccc1 32842890 QXKCJBNHQQUMHV-RDTXWAMCSA-N 385.489 2.627 0 40 GFAB COc1cccc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 21799339 ORJGJSRTOFUREB-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 32916530 BBFMRQSLQREQLD-UHFFFAOYSA-N 383.388 2.795 0 40 GFAB Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1 832088 YFVDTDXYIKDBHH-UHFFFAOYSA-N 395.484 2.902 0 40 GFAB COc1ccc(CNc2nc3[nH]c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 18219915 ZAYANCULMXKBKH-UHFFFAOYSA-N 375.432 2.938 0 40 GFAB COc1ccccc1NC(=O)NC1(C(=O)NC[C@H]2CCCO2)CCCCC1 4981970 MUIXSEIBYNGDHR-OAHLLOKOSA-N 375.469 2.815 0 40 GFAB CCCCOc1cccc(C(=O)NC(=S)Nc2nnn(CCCC)n2)c1 6274057 NVISUCOJQPPWJN-UHFFFAOYSA-N 376.486 2.779 0 40 GFAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)cc1 6679718 BJTDSRCNDPUFKZ-UHFFFAOYSA-N 394.518 2.780 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2)s1)C1CCCCC1 6817760 PWNCFQQBMCQXNQ-UHFFFAOYSA-N 380.495 2.535 0 40 GFAB COc1cccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 7682224 WCURHVDESUMALQ-INIZCTEOSA-N 398.459 2.645 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 7842528 JCIKZLHJHOIXFM-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)c1 7940153 CIECDSZSMUPWOK-INIZCTEOSA-N 396.443 2.847 0 40 GFAB C[C@H]1CCCCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 808440 SFQHNQFXQVWOPI-LBPRGKRZSA-N 387.871 2.504 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 1016114 ACIWKHCJUFVJJK-UHFFFAOYSA-N 395.868 2.703 0 40 GFAB CC[C@H](O)CN1CCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 106398231 HRZHWDASACOCGY-ZDUSSCGKSA-N 385.386 2.595 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 25417772 CJDDSRJQZKOROK-HNNXBMFYSA-N 375.808 2.625 0 40 GFAB C[C@H]1C(=O)[C@]23[C@H]4[C@H]5C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@H]1[C@]4(CCC[C@@]1(C)CO)CO5 100359355 SPKBKHBTOCOHGF-LLSWAPJKSA-N 390.520 2.935 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCc2c(F)cc(F)cc21 57117835 RAHLOEAQEYQQER-UHFFFAOYSA-N 397.399 2.742 0 40 GFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCSc2c(F)cccc21 12622702 SVJBGMVTMHPPSU-OAHLLOKOSA-N 380.466 2.748 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21 57493313 NYJIFHLCNNLLTA-GFCCVEGCSA-N 389.452 2.576 0 40 GFAB CC(C)Cc1noc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)n1 57909805 MYTZBDOWFMHLSH-UHFFFAOYSA-N 381.498 2.573 0 40 GFAB COC(=O)c1cc(CN(C)C(=O)NCCCN2CCc3ccccc32)oc1C 58060427 HNJWNWZBOJLJPH-UHFFFAOYSA-N 385.464 2.969 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cn21 10233755 JVOIDXYWKNYQSH-UHFFFAOYSA-N 393.353 2.610 0 40 GFAB O=C(CSCc1ccccn1)N1CCN(C(=O)NC2CCCCC2)CC1 58210754 JDVAXQPKNDAFSM-UHFFFAOYSA-N 376.526 2.501 0 40 GFAB COc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1Br 12791811 GNQLOYGACKBYGP-UHFFFAOYSA-N 382.283 2.877 0 40 GFAB Cc1nc(NC(=O)c2cccc(NC(=O)c3nccnc3C(=O)O)c2)sc1C 72400659 XZXNMWAHOTUFOM-UHFFFAOYSA-N 397.416 2.753 0 40 GFAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cn3cncn3)cc2)cc1 10655974 XEXUKSJAYSXGQB-AWEZNQCLSA-N 380.404 2.519 0 40 GFAB O=C(CN1CCC[C@@H]1c1cccs1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 36446958 ZXGFPHWWYVMIKD-DLBZAZTESA-N 396.578 2.843 0 40 GFAB CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccco1 3347913 GARKZMRBPPROHZ-UHFFFAOYSA-N 383.433 2.635 0 40 GFAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1c(C)nc2nc(N)nn2c1C 11573384 NWIGZBIYLQDQKC-UHFFFAOYSA-N 393.495 2.803 0 40 GFAB O=C(NCCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1 48311120 WRZFKBGEYBIYRE-UHFFFAOYSA-N 388.493 2.667 0 40 GFAB NC(=O)CCc1nnc(SCC(=O)c2ccc3c(c2)CCCC3)n1C1CC1 12809626 ICNXXGDGWRBUCX-UHFFFAOYSA-N 384.505 2.885 0 40 GFAB COC(=O)c1sc2nc(CSC3=N[C@@H]4CCCC[C@H]4N3)[nH]c(=O)c2c1C 12851203 PWLSPFCZMXYGAF-NXEZZACHSA-N 392.506 2.583 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1csc(-c2ccccc2)n1 2663588 RZVVWAKNACWHMZ-UHFFFAOYSA-N 393.424 2.557 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C 3410164 ITFZAELTXLGADT-UHFFFAOYSA-N 387.827 2.998 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 3462173 MYMURKWPRMTOJB-UHFFFAOYSA-N 376.434 2.698 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)c2ccc(Br)cc2)cc1 8751210 MDIOOIGPZGDWSE-UHFFFAOYSA-N 377.238 2.980 0 40 GFAB Cn1cnnc1SCC(=O)/N=c1/sccn1Cc1ccccc1Cl 3568824 ZNTGIJOITBDEBY-NBVRZTHBSA-N 379.898 2.599 0 40 GFAB CNC(=O)CNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 12971876 BPSYCKRWOGIATJ-UHFFFAOYSA-N 376.869 2.584 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCCc3ccccc32)CC1 48793652 BJSRHAAFXJDDRQ-QGZVFWFLSA-N 393.553 2.610 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc(C(=O)N2CCCC2)cc1 13014202 OIWADWIOYZRZBU-UHFFFAOYSA-N 393.443 2.825 0 40 GFAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13001981 XKJSCCOXUAZVBU-DAFODLJHSA-N 398.456 2.573 0 40 GFAB O=C(CS[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)N1CCOCC1 4109893 SYZDOVALKFRFFC-NRFANRHFSA-N 382.485 2.933 0 40 GFAB COC(=O)C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(OC)c(OC)c1 14015862 NVZZEHKIEQZAPR-INIZCTEOSA-N 391.395 2.642 0 40 GFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 65549800 PGIUSDHLQLTCBB-GOEBONIOSA-N 378.900 2.902 0 40 GFAB Nc1cc(N)nc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1 6533196 PXEDFBCIADYIGQ-UHFFFAOYSA-N 379.445 2.603 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@H]3C2=O)cc1 6729315 DEABHCWMQZVLQR-RBUKOAKNSA-N 391.431 2.544 0 40 GFAB COc1ccccc1N1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 6719077 OQUVEPJPSKOXGE-UHFFFAOYSA-N 394.427 2.529 0 40 GFAB biogenic CCCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)n[nH]c1=O 5925061 DRNWUZZQHBZPNM-UHFFFAOYSA-N 382.489 2.979 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(N3CCCC3=O)cc1)C2=O 7645102 RQPYOCLFQFTBPV-UHFFFAOYSA-N 397.475 2.887 0 40 GFAB C/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(OC)c1 8010194 GCENZTJFGVMZOL-SNAWJCMRSA-N 390.461 2.702 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857151 JAGKHEUFGIKIMC-QGZVFWFLSA-N 388.489 2.876 0 40 GFAB Cc1ccc(S(=O)(=O)c2cnc(N3CCc4ccccc4C3)nc2N)cc1 71771760 HTLYLHZQGZPJAV-UHFFFAOYSA-N 380.473 2.763 0 40 GFAB C[C@H](NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O)c1ccc2c(c1)OCO2 84651796 QHTKKQAJVBCFGT-JTQLQIEISA-N 396.852 2.931 0 40 GFAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCNC1=O 9868827 NQLGOYCMKDTOQW-UHFFFAOYSA-N 391.456 2.850 0 40 GFAB CC[C@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 95432005 SPPRWBZYKWKRIA-ZDUSSCGKSA-N 396.509 2.702 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)nn2C)CC1 95476755 ARTGVYGRHVFFKW-UHFFFAOYSA-N 376.844 2.655 0 40 GFAB CCc1ccc2oc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1 28404643 HJUPBLWROALNIX-UHFFFAOYSA-N 386.473 2.924 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 9918924 YAVZJKZCJVOJBT-UHFFFAOYSA-N 388.489 2.717 0 40 GFAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 306128072 GPHRUCIVJDEBJQ-PZJWPPBQSA-N 383.517 2.750 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2OC)c1 26529482 VMDVJWRMZNXPQF-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)COc1ccc3c(c1)NC(=O)CC3)CC2 524735221 HIEQOKHAHYQJTG-QGZVFWFLSA-N 396.443 2.771 0 40 GFAB COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@H](NC(C)=O)CC2 5567227 PRGILOMAMBLWNG-OAHLLOKOSA-N 385.416 2.569 0 40 GFAB biogenic Cc1nccn1-c1ccc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)nn1 70842997 UEGLIPKBOJJESP-QGZVFWFLSA-N 394.454 2.643 0 40 GFAB CCOC(=O)N1CCC[C@H]1C(=O)Nc1cccc(I)c1 30954546 POBOJTNJTCOEIS-LBPRGKRZSA-N 388.205 2.851 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(F)c2)n2c1nc1ccccc12 39963960 DZWABISNKHMELN-QGZVFWFLSA-N 382.395 2.738 0 40 GFAB O=C(Nc1cccc2ncccc12)C1CN(C(=O)COc2ccccc2F)C1 70815117 AMWCWJCBTKEBKR-UHFFFAOYSA-N 379.391 2.850 0 40 GFAB CN(C(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79440347 YYXPLXZRAIALIV-YOEHRIQHSA-N 376.453 2.684 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)c(C)c2oc1=O 44918954 DMKOIZZCVCHQCY-UHFFFAOYSA-N 380.400 2.835 0 40 GFAB biogenic Cc1ccc(OCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222459457 GLIXDSBBUUOLFS-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nnc(SC)s2)cc1Br 222629871 ZMRCJFGJDJQESC-UHFFFAOYSA-N 396.313 2.832 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCC(=O)c1ccccc1 40160517 BUIYUCWJUJRFMC-UHFFFAOYSA-N 396.443 2.908 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)c1 225921514 GDRQPIFWLWKGAE-MRXNPFEDSA-N 376.478 2.614 0 40 GFAB O=C(Nc1cccnc1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 96269014 JZWSPVCTJXUFPI-CQSZACIVSA-N 382.342 2.807 0 40 GFAB biogenic,in-vitro CCN1CCN(C(=O)c2cn(-c3cccc(F)c3)nc2C)C[C@H]1c1ncc[nH]1 583427265 JIIMPXQRPKQPKV-SFHVURJKSA-N 382.443 2.562 0 40 GFAB CO[C@@H]1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@]12CCCO2 257255201 KGNMRQCPCINESF-CRAIPNDOSA-N 379.457 2.644 0 40 GFAB Nc1nc(O)cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257283086 OWSMGDOWVPNNJX-INIZCTEOSA-N 397.410 2.850 0 40 GFAB COC(=O)[C@H](NC(=O)c1ccc(OCC2CCOCC2)nc1)c1cccc(C)c1 253403788 QKQLCCDRGZCSBJ-HXUWFJFHSA-N 398.459 2.840 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C3CC3)N2)c1 653057979 ZFWSBSUGYBWYHE-WOJBJXKFSA-N 399.516 2.981 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 96367551 BUJNOPITWWYJRV-LJQANCHMSA-N 375.421 2.933 0 40 GFAB O=C1OC2(CN(Cc3ccc(F)cc3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162984 XMNMHLLSHYMGEV-FQEVSTJZSA-N 381.451 2.717 0 40 GFAB C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc(Br)c1 5612267 BHFFLYJYELUQRN-PWSUYJOCSA-N 378.338 2.843 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 12186066 HSGVDVIPVMPMNM-BBRMVZONSA-N 391.475 2.799 0 40 GFAB COc1ccc(CC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1OC 12327165 RMYBITGRTOZYII-UHFFFAOYSA-N 384.461 2.841 0 40 GFAB Cc1nccc(-c2sc(C3CCN(C(=O)Cc4nonc4C)CC3)nc2C)n1 12668007 RGJZQEARZIFUAD-UHFFFAOYSA-N 398.492 2.857 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 15081098 HUNVGBKDDVLBHU-LQBOVUBWSA-N 393.443 2.818 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@H]([C@H](NC(C)=O)c3ccccn3)C2)c1 19020263 MMMZGHLYRWCWDK-GCJKJVERSA-N 381.476 2.749 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1F 19559541 SKUZOKCEKGGALR-AWEZNQCLSA-N 381.407 2.629 0 40 GFAB COc1ccc(CN2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c(OC)c1 19576401 OVLRJTFAHOEQTQ-OFNKIYASSA-N 394.471 2.863 0 40 GFAB COc1cccc(CN2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1OC 19590720 WAHNQTYJALCZHE-UHFFFAOYSA-N 382.508 2.861 0 40 GFAB CN(C)CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694212 YUFRBTCEHGFJFZ-HNNXBMFYSA-N 385.487 2.616 0 40 GFAB CC(=O)N[C@@]12CCN(Cc3ccccc3OC3CCCC3)C[C@@H]1CN(C(C)=O)C2 19712984 UIMGZESBKMCJHJ-NFBKMPQASA-N 399.535 2.567 0 40 GFAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](Cn3nnc4c(O)nc(C)nc43)C2)cc1 12085005 DIZHSBYCOYFBEW-ZBFHGGJFSA-N 394.479 2.586 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 5118507 GPRQQPHWPNKDEQ-UHFFFAOYSA-N 386.425 2.836 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)NCCCOC1CCCCC1 6988963 MQECIFZKOBPURS-UHFFFAOYSA-N 387.274 2.628 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cc(C(C)(C)C)n[nH]5)C[C@@H]4C3)n1)CCC2 1888879147 VZNGPEGAMCQAQN-GJZGRUSLSA-N 394.523 2.503 0 40 GFAB COc1cc2c(cc1O)CCN(C(=O)c1cnn3c1N[C@@H](C)C[C@H]3C(F)F)C2 1124018811 CNNODKCEVFOMED-HZMBPMFUSA-N 392.406 2.806 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)cc1OC 85413005 OWDJHXKWXGGDTC-QFBILLFUSA-N 382.368 2.876 0 40 GFAB O=C(CC1(O)CCC1)N1CCC2(CC1)C[C@@H](C(=O)N1CCCC1)c1ccccc12 1565555191 AEHBUTVPVXSAES-LJQANCHMSA-N 396.531 2.962 0 40 GFAB COc1ccccc1NC(=O)CSc1nnc2ccc(-c3ccccn3)nn12 5168336 WUUPVCIYHMANHL-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc1 9569740 ITVQYJLXHTVFMQ-UHFFFAOYSA-N 391.493 2.702 0 40 GFAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCCc4ccccc4)cc1c32 9738041 RIVISHCEIGSMKV-HNNXBMFYSA-N 391.471 2.770 0 40 GFAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1cc2ccccc2oc1=O 9701463 YTCHNHKYWIHZKD-UHFFFAOYSA-N 377.312 2.824 0 40 GFAB CSc1nc(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n1C 20591726 FHMNRHYMSHLOSW-CQSZACIVSA-N 376.869 2.578 0 40 GFAB CC(=O)N[C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 30800414 VGGWZDFBGLEQOP-INIZCTEOSA-N 393.487 2.617 0 40 GFAB Cc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c(O)c1 31418526 JYHREKSKHPERTE-UHFFFAOYSA-N 376.254 2.821 0 40 GFAB Cc1ccc(OCCNC(=O)NCc2ccc(Cn3cncn3)cc2)c(C)c1 32779715 AIGFVSBNLWWLRB-UHFFFAOYSA-N 379.464 2.821 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 102623184 OLXBKELCWNVUGG-QBPKDAKJSA-N 385.851 2.868 0 40 GFAB O=C(CCNc1ncccn1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 52662355 NOYWEZGTMQEIEU-SFHVURJKSA-N 376.464 2.717 0 40 GFAB COC(=O)Cc1ccc(S(=O)(=O)Nc2c(C)ccnc2Br)cc1 84250899 GNJGIJUKXSWHCS-UHFFFAOYSA-N 399.266 2.669 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(OCc3ccccc3)c1)CS2 46851849 KYNZRGMNEBKCCM-UWJYYQICSA-N 397.500 2.731 0 40 GFAB CCOc1ccc(-n2c(SCC(=O)N(C)C)nnc2-c2cccnc2)cc1 779265 HRQGNCHKPAFJDG-UHFFFAOYSA-N 383.477 2.908 0 40 GFAB CC(=O)NCc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2)cc1 8883700 UUGOFNIHYHZEMK-UHFFFAOYSA-N 381.461 2.582 0 40 GFAB COc1ccc(Br)cc1CN(C)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 22312044 JFWCGZZFOFAZJS-GASCZTMLSA-N 393.281 2.798 0 40 GFAB Cc1cccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)o2)c1 4130190 ZCSIXBNFKRBBIZ-UHFFFAOYSA-N 380.433 2.902 0 40 GFAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(OC(C)=O)cc1 6296361 KKUMJMBAGQFPKN-UHFFFAOYSA-N 399.399 2.765 0 40 GFAB COc1ccc(CC(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)cc1 6794682 PGMSDGKKSODZCV-UHFFFAOYSA-N 394.475 2.667 0 40 GFAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 8416842 RUNACBKNJMCZCB-UHFFFAOYSA-N 386.379 2.929 0 40 GFAB Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccccn4)C3=O)cc(=O)oc2c1C 84209915 MXSLSVNHBFSECV-OAQYLSRUSA-N 377.400 2.772 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NC[C@H](c1cccs1)N1CCOCC1 23745158 MBOZQKLROJRWNR-QGZVFWFLSA-N 384.505 2.747 0 40 GFAB C[C@@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1391954 LZNIMUYGEQAHTP-MRXNPFEDSA-N 387.379 2.869 0 40 GFAB O=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCS3)NCCc1ccccc1 55502707 AGPOILUAHNWOSR-UHFFFAOYSA-N 385.514 2.924 0 40 GFAB COCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)cc1 25187747 RAPOWXZMTVFHNL-UHFFFAOYSA-N 384.432 2.709 0 40 GFAB O=S(=O)(c1ccccc1)C1C[C@H]2CC[C@H](C1)N2S(=O)(=O)c1cccs1 101322980 DKIHERINWNCIKT-ZIAGYGMSSA-N 397.543 2.906 0 40 GFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 107810660 LMIUKQBDRRGYHM-UHFFFAOYSA-N 398.532 2.882 0 40 GFAB O=C(Cc1cnn(-c2ccccc2)c1)OCc1cc(=O)oc2cc(O)ccc12 25643369 NJNQUCKZGGKEEQ-UHFFFAOYSA-N 376.368 2.970 0 40 GFAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc12 25692135 MDRLPDUMBKRFEI-CYBMUJFWSA-N 390.399 2.873 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)Nc1ccccc1N1CCCC1=O 43852264 RBKADUFQKGYTBZ-UHFFFAOYSA-N 376.420 2.716 0 40 GFAB O=C1C(=O)N(CN2CCN(Cc3cccs3)CC2)c2c(F)ccc(Cl)c21 26553213 HVPRGRGTZZCHTD-UHFFFAOYSA-N 393.871 2.845 0 40 GFAB CCc1nnc(SCC(=O)Nc2ccc(I)cc2)o1 59213368 RQYGYIBJHCFGMF-UHFFFAOYSA-N 389.218 2.967 0 40 GFAB CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CCCCC1 26955858 ULFQKLBLOOCXGS-UHFFFAOYSA-N 375.288 2.501 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc4nccnc34)C2)c1 35684067 IVQBOKPKEVUTMF-SFHVURJKSA-N 382.445 2.749 0 40 GFAB COc1cccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1 100149454 GDLZXWLUADCOAV-IRXDYDNUSA-N 399.491 2.622 0 40 GFAB O=C1[C@@H]2C(OCOCc3ccccc3)[C@@H]3C(=O)[C@H]4[C@H]5C=C[C@H]6C5C5[C@@H]([C@H]2[C@H]3[C@H]54)[C@H]16 104289711 IMOUDSNFOYCYFR-TVONFEDBSA-N 388.463 2.730 0 40 GFAB Cc1csc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 10554544 DRELJZLVEAHKIK-ZDUSSCGKSA-N 385.898 2.897 0 40 GFAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2cccnc12 28167351 RUNODPMUXAFLLN-QGZVFWFLSA-N 395.440 2.690 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)ccc2N1 25376176 DXVOGMCCYHMXAI-NWDGAFQWSA-N 376.400 2.971 0 40 GFAB Cc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1C 20035925 BLAHLIQMWYRGQL-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB CCOC(=O)c1cc(O[C@@H](C)C(=O)NC2CCCC2)cc(C(=O)OCC)c1 11211319 BUPNRYFUTCKXLX-ZDUSSCGKSA-N 377.437 2.866 0 40 GFAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C1CCCCC1 48340881 TWISVOFVKWIHGY-LJQANCHMSA-N 397.523 2.949 0 40 GFAB COC(=O)Nc1ccc(CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1 48356578 CHNNAUVFSOWFRL-HXUWFJFHSA-N 397.475 2.865 0 40 GFAB COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)ccc1O 11917635 AMMQDZGUBXPTBE-LJQANCHMSA-N 395.411 2.743 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(C(F)(F)F)n2C)n1 3410979 VKNHOCODJFYSCS-UHFFFAOYSA-N 396.402 2.945 0 40 GFAB COc1ccc(C(=O)NCC(=O)N2CCCN(CC3CCCCC3)CC2)cc1 62581734 QGRXNZQFXQTDCQ-UHFFFAOYSA-N 387.524 2.540 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N[C@@H]1CCCc2ccccc21 3594598 MLLKUPNSBYJQMH-XXBNENTESA-N 389.455 2.574 0 40 GFAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3sccc3C(N)=O)ccc12 13001200 MRLAKYQKRJOZQH-UHFFFAOYSA-N 386.429 2.923 0 40 GFAB COc1cc(OC)c2c(C)c(CC(=O)N=c3[nH]c4ccccc4[nH]3)c(=O)oc2c1 9059904 WBMZRBYATPYOPO-UHFFFAOYSA-N 393.399 2.598 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1ccc(F)cc1 13734585 KTGXSBAVLVVIRH-UHFFFAOYSA-N 395.434 2.957 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1C[C@H]1CC(c2ccccc2Cl)=NO1 4334993 IWHIITSNGOHTAG-LLVKDONJSA-N 376.821 2.678 0 40 GFAB COc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 6810891 ORAQXYWEOCUZLY-KRWDZBQOSA-N 389.473 2.533 0 40 GFAB COc1ccccc1CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 20239288 GBNNLMHQKMITEF-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1CCO 67316836 BOPWHRPFCNEUHH-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB COc1cccc(CNC(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 84199852 SQVXKPUVBDFZCC-KRWDZBQOSA-N 378.469 2.728 0 40 GFAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccccc3)[C@H]2C1 9344725 PWGWESJXJCMJFY-MSOLQXFVSA-N 388.514 2.840 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2NC1=O 8016732 ZZBUXQMPABANCQ-GFCCVEGCSA-N 399.472 2.958 0 40 GFAB Cc1ccccc1NC(=O)CSc1nnc(Cn2nnc3ccccc32)n1C 34791417 HWFAXEJJVCWOMF-UHFFFAOYSA-N 393.476 2.647 0 40 GFAB Cn1cccc1[C@H](CNC(=O)c1ccccc1C(F)(F)F)N1CCOCC1 21152195 OVYIUJQBHRSTDW-KRWDZBQOSA-N 381.398 2.847 0 40 GFAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584105 LPWBVUCWTKCDRZ-UHFFFAOYSA-N 388.917 2.712 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 30849842 ZXRPKZOFZIQLKX-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)ccc1C 408606295 OPMZSTKODNVTKS-UHFFFAOYSA-N 390.461 2.722 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC(C)C)c3)C2=O)o1 34869841 CZTJPDQRPCPCMO-YBEGLDIGSA-N 384.388 2.946 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@H](C)CC 39945272 QJJULDSUCQXEDB-ABFRBSLYSA-N 378.469 2.943 0 40 GFAB CC1(C)CC[C@H]2C[C@@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)c3cccc1c32 540677717 PNIFCIOYZAPUPT-BLLLJJGKSA-N 389.459 2.858 0 40 GFAB COc1ccccc1Cc1cccc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1 72357633 MBFQDGRJEISNMU-NRFANRHFSA-N 395.503 2.677 0 40 GFAB Cc1ccccc1NC(=S)NNc1ccc(S(=O)(=O)NC(C)(C)C)cn1 40073261 DBRJOIWOUJNGJL-UHFFFAOYSA-N 393.538 2.780 0 40 GFAB O=C([C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CC(n2cc(-c3ccccc3)nn2)C1 527487482 UNHKTXLWGQRIHQ-WCXIOVBPSA-N 392.381 2.684 0 40 GFAB COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)N(C)C 195532279 LXMIBVUSEYOTNU-CFLQYTFWSA-N 394.537 2.890 0 40 GFAB O=C(NCc1ccc(F)cc1)C1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1 48367566 OYDBLVTUGFFHQN-UHFFFAOYSA-N 394.450 2.591 0 40 GFAB Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4cnccn4)CC3)n2)cc1 49028117 FPJZVYNMZNENLO-UHFFFAOYSA-N 389.463 2.589 0 40 GFAB CCOCCCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223664715 DHTFHEXXQXVMAH-UHFFFAOYSA-N 390.933 2.737 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)NCc1ccccc1)C2 96227421 NQQREKMESAGOOY-DENIHFKCSA-N 378.476 2.662 0 40 GFAB CN(C)CCCNC(=O)c1cc(-c2cnc(Nc3ccccc3)nc2)cn1C 96037609 RRNUCSBSFCNLCT-UHFFFAOYSA-N 378.480 2.907 0 40 GFAB O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1cnc(OCC2CC2)cn1 585081246 SMSVYKBIJJCVRD-LJQANCHMSA-N 390.443 2.598 0 40 GFAB CNc1cc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)ncn1 582167661 KAYCYFUNYCCLAF-BTYIYWSLSA-N 390.447 2.691 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc(C)cc2)Oc2ccccc21 250241011 LFCYBIGAQQQONH-BEFAXECRSA-N 388.489 2.790 0 40 GFAB NC(=O)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 24599570 IJPBDTZVWGJHTG-UHFFFAOYSA-N 379.298 2.985 0 40 GFAB C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)c3c[nH]c(O)n3)[C@H]1CCCCC(=O)N2 257241794 HZPLKQROWLROTL-FTRWYGJKSA-N 386.427 2.659 0 40 GFAB Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 257249325 JHRULEIJPSCWHU-KRWDZBQOSA-N 392.529 2.563 0 40 GFAB O=C(NCCCOC1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1 24498767 STVMDRJKRHPJQR-UHFFFAOYSA-N 380.510 2.696 0 40 GFAB Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)s1 275275094 KHLVBXXGKBVSOF-VIFPVBQESA-N 382.301 2.694 0 40 GFAB O=S(=O)(c1ccccc1F)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340599 OMDUBLPIIGCOFM-UHFFFAOYSA-N 379.335 2.796 0 40 GFAB O=C([C@@H]1CCc2nncn2C1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622640133 DEVAYMFVDIGBTA-LLVKDONJSA-N 385.415 2.722 0 40 GFAB COc1ccc(NC(=O)N2CCN(c3cc(-n4cccc4)nc(C)n3)CC2)cc1 90607871 DTUBYXMYSWMFDM-UHFFFAOYSA-N 392.463 2.938 0 40 GFAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 575425660 VZTZKLZLGVBBNK-CYBMUJFWSA-N 386.322 2.581 0 40 GFAB COCCOc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OC 585262527 MBUOBDRCXHCINE-GOSISDBHSA-N 375.465 2.592 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)c(Br)s1 30321196 KRIHCHGXRWNWLS-UHFFFAOYSA-N 394.268 2.711 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1 78876650 DVVZXRKREFLCGK-UHFFFAOYSA-N 381.154 2.554 0 40 GFAB CCOc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13678595 FOXKSRJNLGXAHW-GOSISDBHSA-N 390.461 2.641 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1cccc(C)n1)C(F)(F)F 13810100 FCNFVCBAWVMGFR-KRWDZBQOSA-N 397.353 2.672 0 40 GFAB CC(C)c1noc2ncc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)cc12 14372484 SVKNHZLGWQIWGC-UHFFFAOYSA-N 383.433 2.916 0 40 GFAB NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19344568 NODVEOOOPHUXKU-UWJYYQICSA-N 384.501 2.841 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529539 GSMHWGACMCKVET-RTXPOLOASA-N 392.455 2.767 0 40 GFAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)CCc3nc4ccccc4s3)C[C@H]21 12120128 XXUDNLHMACMTKJ-HIFRSBDPSA-N 394.500 2.809 0 40 GFAB COC[C@@H](C)NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 6080657 YRAIYTLSQJHZNC-SSDOTTSWSA-N 382.795 2.645 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)c1nn(C)c(=O)c2ccccc12 7946013 LMTITDGZMBGLBT-UHFFFAOYSA-N 378.476 2.705 0 40 GFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(N2CCCC2=O)cc1 16109878 WWKUTOVEFUPLTN-UHFFFAOYSA-N 393.443 2.958 0 40 GFAB COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850569 BQNAWBHHGMODJY-OAHLLOKOSA-N 399.472 2.861 0 40 GFAB Cc1ccsc1CN1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771798 ZMMIJMODTMRVFX-MRXNPFEDSA-N 386.443 2.923 0 40 GFAB COc1ccc(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 23106186 GMIUZUCKPCWBML-NRFANRHFSA-N 386.467 2.957 0 40 GFAB CC(C)C(=O)Nc1c2c(nn1CC(=O)NCc1ccc(F)cc1)CSC2 23139629 PNKRWXUJVSRLFZ-UHFFFAOYSA-N 376.457 2.680 0 40 GFAB CNC(=O)Cc1csc(NC(=O)c2ncc(-c3ccc(Cl)cc3)o2)n1 206588755 ICKHSEFCULBVDP-UHFFFAOYSA-N 376.825 2.992 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC2CCN([C@@H]3CCSC3)CC2)c1C 225574995 ZGKXAFUSOBWAFC-QGZVFWFLSA-N 375.538 2.576 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2ccc(CC)cc2)nc(=O)[nH]c1C 4317577 ZYEKVQPZQFHEDQ-UHFFFAOYSA-N 375.450 2.548 0 40 GFAB O=C(c1ccoc1)N1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 40153534 KMSOIVGEMBRMEV-UHFFFAOYSA-N 384.404 2.993 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)Cc2csc(Cc3ccccn3)n2)c1 40134131 LQVJDGAETCOOAC-UHFFFAOYSA-N 391.460 2.594 0 40 GFAB CSc1nnnn1-c1cccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c1 40155167 UZPOPFNDIIRRGV-MRXNPFEDSA-N 380.433 2.840 0 40 GFAB COc1c(F)cc2c(=O)c(C(=O)NCc3cccnc3)cn(CCF)c2c1F 20730624 QQUWOCCWMBUDFP-UHFFFAOYSA-N 391.349 2.583 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 32440185 RXSIGUWIKDXGCW-LLVKDONJSA-N 395.868 2.604 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(-n4cccn4)c3)ccc21 32925845 YPVDIRHSDQCEKB-UHFFFAOYSA-N 396.472 2.837 0 40 GFAB CCCCOCCCNC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 33028574 SHGOMEISRMZDHS-APEZIOSESA-N 396.553 2.924 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]1C(=O)OC[C@H]1C2 1612495 YLMOLECRVWEACO-CWVNLOTRSA-N 398.411 2.918 0 40 GFAB Cc1c(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc(O)ccc12 2106255 DJSBYOCVGPTSDU-SFHVURJKSA-N 395.411 2.552 0 40 GFAB biogenic CC(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccco1 4036098 OESGCGZECSGMQE-INIZCTEOSA-N 375.450 2.985 0 40 GFAB CC(C)OCCCN1CC(=O)N2CCc3c([nH]c4ccc(F)cc34)[C@@]2(C)C1=O 4073258 QNVVXHZGODEIKZ-NRFANRHFSA-N 387.455 2.564 0 40 GFAB biogenic COc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc(OC)c1OC 4487714 CVPMJDWEOKGQLR-CYBMUJFWSA-N 376.453 2.832 0 40 GFAB COc1cccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 4560588 DITDSSPDVBJNDR-SJORKVTESA-N 392.864 2.961 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 4995779 HDJVVYZNPLXMGE-NMLBUPMWSA-N 385.423 2.592 0 40 GFAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)NC(=O)NC1CCCCC1 5353007 DFRYSCGYOIQTPD-CYBMUJFWSA-N 388.497 2.610 0 40 GFAB C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1 5797139 KCBIRTIOBQJXBB-SNVBAGLBSA-N 387.387 2.664 0 40 GFAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)n1cnc2ccccc21 6150536 XEGKIXALLAZBTD-UHFFFAOYSA-N 381.413 2.796 0 40 GFAB COCCNC(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 6320029 RVMFVSFVFCRSCJ-LDADJPATSA-N 375.428 2.897 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1 6438576 BEAGLBLIYISIET-UHFFFAOYSA-N 396.490 2.574 0 40 GFAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)c1 6679789 VFRNNECPQNCGDY-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)Cc1ccc(N2CCCC2=O)cc1 8135980 NBQWQXHYOUERRE-UHFFFAOYSA-N 376.460 2.830 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 8521045 SZQTUTKZZLJKCH-HNNXBMFYSA-N 399.559 2.743 0 40 GFAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCC(=O)Nc1ccc(F)c(F)c1 9253153 XKKHQRDGECMIPQ-OAHLLOKOSA-N 391.399 2.523 0 40 GFAB Cc1c(Cl)cccc1N1C(=O)[C@](NC(=O)C2CC2)(C(F)(F)F)N=C1O 9420277 NAJDQNIPBOQNFD-CQSZACIVSA-N 375.734 2.694 0 40 GFAB Cc1ccc(C)c(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)c1 9659589 DXHDWOBVPFGPDZ-UHFFFAOYSA-N 388.427 2.887 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)n1 12086754 YRCGHODQYRARHJ-VGOFRKELSA-N 396.491 2.635 0 40 GFAB COc1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc(OC)c1O 12122119 WLWQCACMJDOEOZ-UHFFFAOYSA-N 394.431 2.525 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)CC1 12180992 DFKCBERYWXRRPT-JLYLLQBASA-N 394.512 2.734 0 40 GFAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccn2)on1)NCc1ccco1 12482197 NLXWTUIXJHYDJI-HOTGVXAUSA-N 380.448 2.804 0 40 GFAB biogenic,in-vitro COc1ccc(N(Cc2cccs2)C(=O)CSc2n[nH]c(N)n2)cc1 12689517 ROJYDJUULRPSIS-UHFFFAOYSA-N 375.479 2.783 0 40 GFAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 12942880 NAKFXZPLRPPGSS-RYUDHWBXSA-N 384.548 2.813 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NCc2coc(-c3cccs3)n2)ccc1F 13456361 NELFXGYXHRLQKT-UHFFFAOYSA-N 382.394 2.719 0 40 GFAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 16255424 KGFYTPSMWBGLNH-QGZVFWFLSA-N 396.230 2.670 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N1CCc2nc([C@H]3CCCN3C)ncc2C1 19079340 PCLAPBBDRZLSPW-CRAIPNDOSA-N 396.491 2.604 0 40 GFAB CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19085652 FKEAUUVJINHFKN-LJQANCHMSA-N 397.523 2.913 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)ccc1=O 19290504 PTBKRMGNKLQBEX-INIZCTEOSA-N 396.472 2.565 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19499440 UCKNEPMFCDSGBT-QZTJIDSGSA-N 384.455 2.783 0 40 GFAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H]1CCCOC1 19696582 AZQJMXHLSGZEMX-GCJKJVERSA-N 397.475 2.560 0 40 GFAB Cn1cc(CN2CCC[C@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 19749740 DCPVTOKUGRYXMO-KRWDZBQOSA-N 381.455 2.892 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1OC 19936483 KNXDKRFZGGYQIO-JTQLQIEISA-N 378.406 2.590 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 20215870 OVTHHRJIJKVBEE-DYVFJYSZSA-N 391.493 2.570 0 40 GFAB CCOc1ccc(N2C(=O)/C(=C/NCCN(C)C)c3ccccc3C2=O)cc1 20815747 FEEBEIJKGSKJMM-HMMYKYKNSA-N 379.460 2.764 0 40 GFAB CCCn1nc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)ccc1=O 21522089 LUGUBBUMSPHQJA-UHFFFAOYSA-N 383.370 2.662 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc21 21756920 HYVHHBOLIWBIGA-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB COc1ccc([C@@H](NC(=O)CN2CCN(Cc3ccccn3)CC2)C(C)C)cc1 22065200 YIQIYIUPILZCFZ-QHCPKHFHSA-N 396.535 2.721 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c(OC)cc1Cl 32083042 CLZVTQZHHMGUMS-UHFFFAOYSA-N 384.841 2.565 0 40 GFAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 32094471 ZHWSSLKMAHZIDC-OAHLLOKOSA-N 380.375 2.919 0 40 GFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCOc2ccccc21 33168166 VXPUSOMDDXKWNZ-MRXNPFEDSA-N 386.473 2.513 0 40 GFAB CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cccc(C(C)=O)c2)cc1 35291690 ICWIKWCPJJIFCK-UHFFFAOYSA-N 395.444 2.798 0 40 GFAB CCOC(=O)Cn1c(C)nc2c(c1=O)[C@H](CC)c1c(c3ccccc3oc1=O)O2 36646022 KKSDUWDIZSYFGE-GFCCVEGCSA-N 396.399 2.869 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(Cc2ccccc2)no1 40153518 IDFULLDJPXRFMM-CQSZACIVSA-N 386.477 2.501 0 40 GFAB COc1c2c(c(CSc3ncccc3C(=O)O)c(OC)c1OC)C(=O)OC2 40545263 KSVKFOAVJZNWLS-UHFFFAOYSA-N 391.401 2.768 0 40 GFAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2Cl)c1 44894138 NADQSPZUYPSOSI-UHFFFAOYSA-N 396.834 2.559 0 40 GFAB CC(C)Oc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 44904604 BTNAWADJEUZHHX-INIZCTEOSA-N 390.505 2.945 0 40 GFAB CCOc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44911341 HZGHZUDEPHHXPO-SFHVURJKSA-N 390.461 2.641 0 40 GFAB CC(C)Cn1c(-c2ccc(C(=O)O)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 48876412 VNAZVHFFVUFHSD-UHFFFAOYSA-N 384.436 2.564 0 40 GFAB CN1CCN(C(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1 56290988 SIIFJYYBICHWQI-UHFFFAOYSA-N 387.867 2.745 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 57829551 ZZUWFBACSRPFFI-UHFFFAOYSA-N 394.519 2.929 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O)c1ccc(F)cc1 58218831 XRNZHQURTLUKMI-VOJFVSQTSA-N 375.425 2.532 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1F 58320605 OGBYXMHPKRZFAN-NSHDSACASA-N 378.425 2.759 0 40 GFAB CC(C)n1ncc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)c1C(F)(F)F 60337274 UGDCCNPPUFRQDU-GFCCVEGCSA-N 382.386 2.918 0 40 GFAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccncc2)C3)c1C 69972773 PGVGQQAUHQPLDL-UHFFFAOYSA-N 390.491 2.669 0 40 GFAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71980119 YMXOYDYGLMMDNT-AWEZNQCLSA-N 387.263 2.731 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)c1 72363224 KARLGJAJZDFEJT-UHFFFAOYSA-N 399.476 2.571 0 40 GFAB CC(C)c1n[nH]c(-c2nn3c(-c4cnccn4)nnc3s2)c1Br 72402992 WXDCKQGTTMLYIF-UHFFFAOYSA-N 391.258 2.919 0 40 GFAB Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)cc1Cl 76094533 GNEKQHWEAOSGIV-INIZCTEOSA-N 377.916 2.807 0 40 GFAB O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 78975168 DIRZDXUOSTZEIU-HNAYVOBHSA-N 375.419 2.969 0 40 GFAB COc1ccc(-c2noc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)n2)cc1 85875921 SRWKKHYVCDLJAR-ZBFHGGJFSA-N 378.432 2.526 0 40 GFAB biogenic Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)sc2ncn(C)c(=O)c12 95415722 BZOILPYSWVWTJY-LBPRGKRZSA-N 393.509 2.790 0 40 GFAB O=C(Nc1nncs1)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc1 95975512 FINKISMPWLPDKZ-LSDHHAIUSA-N 385.424 2.637 0 40 GFAB Cc1cccc(NC(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2C)c1 96062726 WJIPHUOLWRXQIM-UHFFFAOYSA-N 377.448 2.879 0 40 GFAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4ccc5c(c4)CCC5)C(=O)[C@H]32)c1 101262589 SPRBHJYLYALAMD-MOPGFXCFSA-N 392.415 2.690 0 40 GFAB CCCOc1ccc(N2C(=O)C[C@H](Nc3ccc4c(c3)NC(=O)CO4)C2=O)cc1 103022369 OOXUYEDFNFYNSL-KRWDZBQOSA-N 395.415 2.550 0 40 GFAB CC[C@@H](NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O)c1nc(C)cs1 104605714 PPMSETLKNMPHPS-CQSZACIVSA-N 387.509 2.843 0 40 GFAB CCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104676609 VMMDKAAJYORDLQ-YXWQFLTLSA-N 386.521 2.844 0 40 GFAB O=C(c1csc(-c2ccoc2)n1)N1CCN(C[C@H](O)c2ccccc2)CC1 108278430 IMYVKARUYXMXCP-SFHVURJKSA-N 383.473 2.895 0 40 GFAB Cc1noc(C)c1CNC(=O)c1nnn(Cc2ccccc2)c1-n1cccc1 206649993 XLYARLWZWQYBPB-UHFFFAOYSA-N 376.420 2.652 0 40 GFAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220145463 JSDURYVTONCKLI-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(S(C)(=O)=O)cc1 225599226 HDGKVHZFBSBAKM-INIZCTEOSA-N 385.482 2.967 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc2c1 226043157 WBICOVHRYQWFSM-UHFFFAOYSA-N 382.391 2.903 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCc2ccccn2)Nc2ccccc21 257307208 SXQVSKJQDSJEGK-OLMRKFRDSA-N 376.460 2.686 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@@H](N(C(N)=S)[C@@H]1CCCC[C@H]1N)C(C)(C)C 299754540 HYFBUTQSAPSLHI-KZNAEPCWSA-N 390.597 2.875 0 40 GFAB COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CC4)nc23)cc1 306131444 KEOLSOXTDCJGQI-UHFFFAOYSA-N 394.519 2.921 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2OC)cc1Cl 408559940 NPFLRJZMZJBIMX-LLVKDONJSA-N 398.868 2.663 0 40 GFAB COc1cc(C)c(NC(=O)NC(c2nccn2C)c2nccn2C)c(C)c1C 529098380 NOQRAPZHAXZYNN-UHFFFAOYSA-N 382.468 2.999 0 40 GFAB COCCn1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c2ccccc21 556743071 WPJCIWZTVSAIIB-DUXKGJEZSA-N 386.492 2.680 0 40 GFAB Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCc2cn4ccccc4n2)CC3)c1 574517634 WCKZAZCLPYKVJT-KRWDZBQOSA-N 386.459 2.780 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NCC1CCN([C@@H]2CCOC2)CC1 575605275 CIAZNSWEVSLJGX-OAHLLOKOSA-N 387.307 2.989 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1c(F)cccc1F 575613838 WHIBXDYGMHECTG-LJQANCHMSA-N 397.443 2.558 0 40 GFAB CCc1nc(S(=O)(=O)N2CC[C@H](C(=O)O)c3ccccc32)cn1CC1CC1 585098348 PBMJGFKYMUAZBY-HNNXBMFYSA-N 389.477 2.623 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)NC2CCN(c3cnsn3)CC2)c1C 585148925 OSDRSQSFYZHTIR-UHFFFAOYSA-N 380.539 2.719 0 40 GFAB O=C(c1nnn(C2CCNCC2)c1C(F)F)N1CC[C@H](Cc2ccccc2)C1 637924141 HROTVRZRAHQQGH-OAHLLOKOSA-N 389.450 2.845 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 655641952 MWCVSWIKQKOVLF-UHFFFAOYSA-N 385.493 2.548 0 40 GFAB C[C@H](C(=O)Nc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1)n1cccn1 655745712 ZWDIGEDHUXKTOH-UZLBHIALSA-N 383.496 2.748 0 40 GFAB Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)cc1C(=O)O 656636430 GDFHXIBDGVNVPS-UHFFFAOYSA-N 399.856 2.695 0 40 GFAB CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1C[C@H](c3ccccc3)CO1)CC2 664182626 CZYYTWMJBRCAIM-KSZLIROESA-N 383.496 2.588 0 40 GFAB Cc1cc([C@@H](O)CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(C)o1 1565519695 LUMANNVHAQAEJE-SFHVURJKSA-N 376.434 2.872 0 40 GFAB C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 1589947941 BGNOXPRWNUHFBQ-CQSZACIVSA-N 387.447 2.682 0 40 GFAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncccn4)CC3)n2)s1 1888891060 PARQOQZEISLWLE-UHFFFAOYSA-N 382.493 2.690 0 40 GFAB CS(=O)(=O)c1cccc2sc(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)nc12 1889125252 WRMBNPWUTFLGGN-BETUJISGSA-N 377.535 2.620 0 40 GFAB O=C1COc2ccccc2CCCCO[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1 2037980747 HEIDKNVUFJARNM-UNMCSNQZSA-N 398.478 2.927 0 40 GFAB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc2c(c1)OCCO2 2725848 LRBKFZYOEQWMJP-UHFFFAOYSA-N 398.444 2.778 0 40 GFAB COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 607806 JRRUSQGIRBEMRN-OAHLLOKOSA-N 385.416 2.569 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)C1 698849 BGGICLLFAFKUGP-DLBZAZTESA-N 390.480 2.550 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 12323409 UOBSZPHTDYGKPU-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(C)n2C[C@@H]2CCCO2)cc1 887427 CVDABLHLBXHXNX-INIZCTEOSA-N 376.482 2.895 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(O)c(OC)c1 2767336 NCLGVWTUJZAGRW-SFHVURJKSA-N 384.457 2.894 0 40 GFAB biogenic,in-vitro COCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1 3221430 YDHZYHGDAAYLIT-UHFFFAOYSA-N 395.488 2.668 0 40 GFAB COc1ccc(CN(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 22436787 SRGFGNSUSFSYJY-UHFFFAOYSA-N 383.492 2.869 0 40 GFAB CC(=O)c1ccccc1OCCOC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 22504121 HWJQDJHSZCJPDN-HXUWFJFHSA-N 383.400 2.625 0 40 GFAB CCOc1ccc(OCCOC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 4250147 YEEWGONGWHWBKX-UHFFFAOYSA-N 382.416 2.877 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCN(C)CC2)o1 22938462 HBBIHEQNZUPXQT-IBGZPJMESA-N 394.475 2.962 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccc(C)c(C)c1 6438952 CLEDMUNYVZJHSR-UHFFFAOYSA-N 389.839 2.659 0 40 GFAB CCOC(=O)/C=C1\C[C@@H]2[C@@H]3C/C(=C\C(=O)OCC)[C@@H]4[C@@H]3C3C5[C@H]([C@@H]1[C@H]32)[C@H]1O[C@H]1[C@H]54 104293334 PQZHGKNYSHTADS-LCXNEOGQSA-N 396.483 2.757 0 40 GFAB O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1)N1CCOCC1 1070787 FUOIYZSIFXAIQX-UHFFFAOYSA-N 382.754 2.750 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 24003611 KPGQBXBQYKACOF-GFCCVEGCSA-N 392.864 2.735 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)NCCC3=CCCCC3)CC2)C[C@H](C)O1 42836907 SIQDJNSFKIAABB-IRXDYDNUSA-N 377.529 2.934 0 40 GFAB COc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 34387566 ZNNVLAQJJDZYGX-WOJGMQOQSA-N 389.436 2.802 0 40 GFAB C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 24435624 LOXQNPGNAVUBPY-ZIAGYGMSSA-N 392.452 2.876 0 40 GFAB COc1cccc(CC(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 25240861 BUXXUMSJDLBICH-UHFFFAOYSA-N 378.428 2.969 0 40 GFAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ncccn5)CC4)[C@H]3C=C12 61999323 OIVSDSZMJGFJMJ-DNGCBJQESA-N 394.519 2.833 0 40 GFAB biogenic COc1ccc(CCNC(=O)COC(=O)c2ccccc2Br)cc1 3232864 WHKOEGRUAOTCJU-UHFFFAOYSA-N 392.249 2.973 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)CC1 22200781 YPNPONRTMCXXQH-HNNXBMFYSA-N 385.537 2.789 0 40 GFAB CNC(=O)[C@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2Br)o1 97165613 CJPLVYFBTWOVHJ-GXTWGEPZSA-N 393.285 2.894 0 40 GFAB CN1CCCN(c2ccc(CNC(=O)c3ccc4ccccc4n3)cn2)CC1 48249915 NMTPREDEVDAPOR-UHFFFAOYSA-N 375.476 2.702 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(F)c1 12776096 JTELBUCCOSHVBJ-HNNXBMFYSA-N 392.452 2.844 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113957758 PEWKSPIEYPSOOA-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 58209562 FQPXJMFFZTWJNV-QPJJXVBHSA-N 375.432 2.532 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)N4CCCN4[C@H]3C2=O)cc1 101269581 FQAIRYRCTPLSPA-GUDVDZBRSA-N 397.862 2.884 0 40 GFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1csc(S(N)(=O)=O)c1 58421904 HOOHRBLHRXRNDP-SECBINFHSA-N 381.504 2.838 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CCc1ccccc1 10970963 HSGPZBRKSIZOEY-MRXNPFEDSA-N 379.460 2.842 0 40 GFAB Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 36447072 OZYYYZQGJXDKNY-UHFFFAOYSA-N 385.895 2.974 0 40 GFAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc3ncccc23)c1 11759029 IRNPYJFYNFAZLD-UHFFFAOYSA-N 378.432 2.752 0 40 GFAB COc1ccccc1S(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 3444208 YVARDKXZACNYEJ-UHFFFAOYSA-N 375.446 2.502 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1C 2636341 NDPNGJIIPXAKFF-UHFFFAOYSA-N 392.839 2.935 0 40 GFAB COc1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1F 5089370 NXTYFZHULBEKLB-UHFFFAOYSA-N 385.391 2.996 0 40 GFAB CC(C)CN1CCO[C@H](CNC(=O)COc2ccc(Cl)c3cccnc23)C1 39983557 QKEUMOXPTNXNEH-OAHLLOKOSA-N 391.899 2.740 0 40 GFAB CCOc1ccc(OCCN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 5450040 RGOJAGBSTBHVBS-OAQYLSRUSA-N 398.415 2.660 0 40 GFAB CCn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 6552714 OKSZIQDWMWMQOR-GASCZTMLSA-N 378.542 2.784 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2F)c1 5591613 PNDRIPMUPHRRPV-UHFFFAOYSA-N 396.440 2.579 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)[C@H]2C)cc1OC 4770602 HYFKLXRWAOTCQV-KUHUBIRLSA-N 377.462 2.855 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 6810962 DOJZTFFWPNYIRM-GOSISDBHSA-N 391.464 2.729 0 40 GFAB COc1ccc(Br)c2c1C(=O)[C@@H]([C@]1(O)C(=O)Nc3ccccc31)C2 408569752 XOJWSJQCNKXJLZ-VOJFVSQTSA-N 388.217 2.653 0 40 GFAB COC(=O)c1nc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)sc1C 96232178 KLYZLXQPSJDXOT-ZDUSSCGKSA-N 389.481 2.500 0 40 GFAB COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4ccc5nsnc5c43)cc2c1 96223335 FZZABBFDRXAYJZ-NSHDSACASA-N 379.397 2.982 0 40 GFAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 7123399 GCDNXEUQDCYTIE-ACJLOTCBSA-N 391.427 2.662 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc(-n3cccc3)cc2)cc1OC 7372991 NRJJFDNPRDNVTD-UHFFFAOYSA-N 394.427 2.968 0 40 GFAB Cc1ccccc1CSCCNC(=O)CN(c1ccccc1)S(C)(=O)=O 409029272 XZYMXBJUJHKBGI-UHFFFAOYSA-N 392.546 2.811 0 40 GFAB CCn1nnc2cc(C(=O)Nc3ccc(Sc4nncn4C)cc3)ccc21 9592378 HSUQWWRRTAZTLL-UHFFFAOYSA-N 379.449 2.983 0 40 GFAB COC(=O)C(=O)/N=c1\sc2ccccc2n1CC(=O)c1ccc(Cl)cc1 17117878 JLBBAVWEUMPPKS-ZZEZOPTASA-N 388.832 2.839 0 40 GFAB COc1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cn1 17296901 GWCMUJKVJNQERX-UHFFFAOYSA-N 375.841 2.930 0 40 GFAB O=C(c1ccc(F)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 8577892 PZLLMDJZXGYYMI-UHFFFAOYSA-N 378.407 2.538 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 8692625 YIZFWURDHSEFSH-UHFFFAOYSA-N 399.472 2.811 0 40 GFAB CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O 409193945 INZMFLHXBJDJNG-XNTDXEJSSA-N 385.807 2.880 0 40 GFAB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 84736543 WPYOATDCEQNMNQ-QGZVFWFLSA-N 395.484 2.855 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)CNc1nc(C(F)F)nc2ccccc12 95460546 XBYIPRLCECMNLE-ZDUSSCGKSA-N 380.395 2.683 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)cc3)C2)c(OC)c1 95945542 SZOMWGKGEOSXPA-KRWDZBQOSA-N 378.425 2.954 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl 408555477 XERQGOBEOWAVQY-CHWSQXEVSA-N 396.896 2.893 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2C)cc1C 20013737 JGPNEOKNTQYKFI-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2)cc1Cl 408594841 PKENQXGTDMOULC-ZDUSSCGKSA-N 396.896 2.722 0 40 GFAB Cc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 26025245 ZZODNROXDFSWFG-INIZCTEOSA-N 378.519 2.834 0 40 GFAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409392994 UOZRWIYLJWDWPI-UHFFFAOYSA-N 380.441 2.778 0 40 GFAB CCOCCCNC(=O)CSc1ccc(-c2ccc3c(c2)OCCO3)nn1 35315412 YUURUKNAQBPWEX-UHFFFAOYSA-N 389.477 2.550 0 40 GFAB CCOCC(=O)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306145124 ZYVFVHNAZQMUCH-FQEVSTJZSA-N 376.460 2.837 0 40 GFAB CCN1CCN(C(=O)COC)[C@@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72351450 DBYDBZQZHHLQMT-NRFANRHFSA-N 396.487 2.610 0 40 GFAB NCC1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218473882 KVUJHVCOAZYBNB-HOTGVXAUSA-N 385.316 2.837 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)COc3ccccc3)C2)ccn1 72356493 UGIQNHGZIKNOOY-INIZCTEOSA-N 377.448 2.839 0 40 GFAB Cn1c(=O)n2n(c1=O)[C@H]1C(=C3[C@H]4CC[C@@H]5CC[C@H]([C@H]45)[C@@H]32)[C@H]2CC[C@@H]3CC[C@H]1[C@@H]23 43761858 OQPJCJPJPNWQBN-HZXMJQTBSA-N 379.504 2.873 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 223795610 PBPMERCZMFMZQA-SNVBAGLBSA-N 398.510 2.571 0 40 GFAB C[C@H](C(=O)NCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224008783 YGHKXHZVYXVDQX-CYBMUJFWSA-N 398.887 2.993 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)cc1 48236044 KAJRWYZEXBVLRL-UHFFFAOYSA-N 376.254 2.942 0 40 GFAB CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 225266208 IFOKHZYMGUSKDN-UHFFFAOYSA-N 394.880 2.943 0 40 GFAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4cnn(C)c4)cc32)cc1 225888156 OQPQNFQXAOEAQC-UHFFFAOYSA-N 376.416 2.884 0 40 GFAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2ccccc2)c1 224678108 OSKCIMMMOREVRZ-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB CCc1ccc(CC)c(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 223309265 IVIXAWBQYGMOCA-UHFFFAOYSA-N 388.533 2.889 0 40 GFAB COc1cccc([C@@H](CNC(=O)N2CCCc3c(cnn3C)C2)N2CCCC2)c1 574172196 LQBHAQDMOHZPHH-OAQYLSRUSA-N 397.523 2.724 0 40 GFAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223047658 FOKTWEOGOJFVSQ-YADHBBJMSA-N 380.488 2.942 0 40 GFAB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 224690506 UPTZVWFLKXPSOM-UHFFFAOYSA-N 391.445 2.525 0 40 GFAB Cc1cccc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)Nc2ccccc2)c1 96251068 CKQJZEJJBZSUSU-NJDAHSKKSA-N 398.528 2.869 0 40 GFAB O=C(c1nnn(Cc2ccccc2)c1Cl)N1CCN(Cc2ccccc2)CC1 96183291 QUBAITWQRZFMRG-UHFFFAOYSA-N 395.894 2.938 0 40 GFAB O=C(CCc1nncn1-c1ccccc1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 585082357 IQMNOWDCGUBAKL-CTNGQTDRSA-N 390.487 2.825 0 40 GFAB Cc1cc2nc(C)n(CC(=O)N[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)c2cc1C 257276453 NTUVYOZNFYSHQK-SFGWALBWSA-N 395.507 2.737 0 40 GFAB CCOC[C@]1(C(N)=S)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252515905 OKCMYJZCYPWJIY-SCTDSRPQSA-N 375.515 2.935 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 24712255 HSIUWIKWCSBQLE-NSHDSACASA-N 384.807 2.600 0 40 GFAB O=C(O)c1ccnc(S(=O)(=O)NCCCc2ccc(Cl)cc2Cl)c1 1608954427 PZWDMQWMFKMDBA-UHFFFAOYSA-N 389.260 2.998 0 40 GFAB COC(=O)C[C@@H](c1ccsc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419785 XTUZYGRZCGLDDT-HNNXBMFYSA-N 387.461 2.585 0 40 GFAB COc1ccc(N(C)C(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)cc1OC 635425169 OYAQXNUKLOEBAN-UHFFFAOYSA-N 398.463 2.597 0 40 GFAB COc1cccc2nc(NC(=O)N3CCN(C)[C@H](c4nc(C)no4)C3)sc12 654219067 FIWDMHSZLQPFAQ-LBPRGKRZSA-N 388.453 2.517 0 40 GFAB CC(C)N1C[C@@H](NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1=O 606362729 XYKAYELXDXBLPX-ZDUSSCGKSA-N 380.370 2.630 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)c1C 390828765 UDDILJGRKCHHQD-MRXNPFEDSA-N 379.457 2.691 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099441 ABVFBOODAVRNEM-UHFFFAOYSA-N 395.427 2.809 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)CSCc3ccccc3)C2)cc1 96377859 JOKPFXYPFVWRJI-UHFFFAOYSA-N 391.514 2.613 0 40 GFAB O=C(CN1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1ccccc1 585272860 KBZKWIGRCATHHP-QFIPXVFZSA-N 386.467 2.738 0 40 GFAB Cn1ccc(CC(=O)N2CCC3(CCC(CC(=O)N4CCCC4)CC3)CC2)n1 585101522 OISJNMGKPGPDHX-UHFFFAOYSA-N 386.540 2.774 0 40 GFAB COCCOc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OC 585262506 HJBIKJFSRFNXRK-GOSISDBHSA-N 381.513 2.862 0 40 GFAB COc1ccc(CCC(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1 43978531 TVABGPUHYKLMAH-UHFFFAOYSA-N 375.513 2.964 0 40 GFAB O=C(NCCNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 55625511 NJKLEXGTJVFBFR-UHFFFAOYSA-N 383.467 2.971 0 40 GFAB O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)C1CCC1 57994455 GZEBGHZKRJWYCS-UHFFFAOYSA-N 376.453 2.721 0 40 GFAB CC(=O)Nc1ccc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c(F)c1 7154852 MDCQAVWEFLGLNN-XVNBXDOJSA-N 385.347 2.952 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 5277999 NNJRWZVGOBBAHN-UHFFFAOYSA-N 387.461 2.610 0 40 GFAB O=c1/c(=C\c2ccco2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 5666768 VQLHHFPYONZRRL-GJPUVDBCSA-N 385.448 2.959 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 12422893 QAXVCFYIMMVFJM-GFCCVEGCSA-N 392.868 2.503 0 40 GFAB CCN(CC)C(=O)CSc1nnc(-c2ccc(O)cc2)n1C[C@H]1CCCO1 13123827 IXPGYXCLSAFMMB-MRXNPFEDSA-N 390.509 2.790 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(C)cc1)C2 19209835 NCAHKUOLZDXYRQ-NRFANRHFSA-N 392.503 2.986 0 40 GFAB NCCn1nc([C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C2)c2cccnc21 19346696 YQZBZCVATCWQSA-OAHLLOKOSA-N 395.532 2.960 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 19569592 PGWMGULXPGHMOH-SFHVURJKSA-N 390.443 2.747 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC(C(=O)c2cnn(-c3ccccc3)c2N)CC1 19579834 BEEXITYGJSHZDO-UHFFFAOYSA-N 393.447 2.794 0 40 GFAB COCCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 19689669 DBPJOHIQFBYIKE-SFHVURJKSA-N 384.480 2.918 0 40 GFAB CN(C)C(=O)c1ccc([C@H]2CCCN(C(=O)c3ccc4nsnc4c3)C2)nc1 19705622 YXDQREATUBDEKM-HNNXBMFYSA-N 395.488 2.808 0 40 GFAB Cc1cc(C)cc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19809751 ZVHFPVLLVIJCMW-HXUWFJFHSA-N 398.503 2.590 0 40 GFAB CC(C)Oc1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cn1 225736645 QCOCDJUTYCJDKF-UHFFFAOYSA-N 395.507 2.936 0 40 GFAB O=c1cc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)nc(-c2cnccn2)[nH]1 19292897 FCAWCKDAQQEXJL-CQSZACIVSA-N 383.402 2.885 0 40 GFAB Cc1nc(C)c(-c2ccc(N3CCN(c4ncc(Cl)cn4)CC3)nn2)s1 1888897068 IRWUTZHPMBDWJN-UHFFFAOYSA-N 387.900 2.987 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ccc(F)cc4F)CC3)ncn2)n1 1889191837 IQMRZLGIUATQMZ-UHFFFAOYSA-N 384.434 2.880 0 40 GFAB Fc1ccc(OC[C@H]2CCN(c3ncnc4c3nnn4-c3ccccc3)C2)nc1 1889246955 JUWILJFCKZSIHN-AWEZNQCLSA-N 391.410 2.650 0 40 GFAB CCn1nc(C)c(CN2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)c1C 2037984344 YBHCXXJYSHWKPS-QFIPXVFZSA-N 382.508 2.775 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4224366 GQAQUIJRVSHEJD-AWEZNQCLSA-N 397.456 2.707 0 40 GFAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 9036927 DMRUJOIUNOQTRZ-CQSZACIVSA-N 378.881 2.980 0 40 GFAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)on1 11738025 MQJAKZXIIUOOSG-UHFFFAOYSA-N 387.396 2.895 0 40 GFAB O=C1CCCN1c1cc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)ccn1 575618214 FOFJSSVNKNQROK-UHFFFAOYSA-N 399.394 2.706 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cn1C 585147885 GAKSPDBVMQACAR-INIZCTEOSA-N 389.477 2.815 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)cc1C 44037568 WGBGAJGHRKHQQS-UHFFFAOYSA-N 390.505 2.534 0 40 GFAB Cc1noc(C)c1CCC(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225792864 IAMRWQLECCKSKM-UHFFFAOYSA-N 383.496 2.678 0 40 GFAB COc1ccc(CN2CCN(c3ncc(Br)cn3)CC2)cc1F 40105833 VUOLOJBBJVKFCY-UHFFFAOYSA-N 381.249 2.709 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)c1 51356544 JOMLEGFWSJNGRM-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nnc2ccccn12 52769476 HUKSUQBNQDJJFV-HOTGVXAUSA-N 392.463 2.851 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cn2)CCO1 46716816 OLZRGGYSESWPNG-HNNXBMFYSA-N 377.448 2.627 0 40 GFAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 1984491 NNDBIBHBSMPAGZ-HNNXBMFYSA-N 394.427 2.778 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N4N=CC=C[C@@H]4[C@@H]3C2=O)c(C)c1 2383086 IPZGPHQTJJWIDX-XDNAFOTISA-N 379.460 2.633 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4171825 DJGDSNJZNRODIA-SLEUVZQESA-N 388.342 2.991 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)CCCn2cnc3ccccc3c2=O)c1 22615575 RFIRBMPZRFMFLX-UHFFFAOYSA-N 383.379 2.741 0 40 GFAB CCC(CC)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4976476 GWUFDRBSXPSLOM-GOSISDBHSA-N 399.535 2.891 0 40 GFAB COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1cccnc1 7277175 UGAQTAFEGJDQFL-GFCCVEGCSA-N 381.270 2.902 0 40 GFAB CCOC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O 981422 NNXBFCBTBGOLQD-MLPAPPSSSA-N 385.825 2.957 0 40 GFAB CCN(C(=O)[C@H](C)Sc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 12537862 UTUCXCQLGVICGB-DZGCQCFKSA-N 378.519 2.751 0 40 GFAB O=C1C2=C(CCCC2)[C@H](NCCCN2CCOCC2)N1Cc1ccc(F)cc1 23343325 JHQLTXZAVIYHNH-OAQYLSRUSA-N 387.499 2.677 0 40 GFAB O=S(=O)(CCSc1nnnn1CCc1cccs1)c1ccccc1 24107656 AZCOBLYGTLXSFU-UHFFFAOYSA-N 380.520 2.543 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 106624673 PZFCODLGOMLULL-SPEDKVCISA-N 395.503 2.542 0 40 GFAB O=C(c1ccccc1)N1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1 25562194 KKXGGAAKWYROSJ-UHFFFAOYSA-N 398.894 2.640 0 40 GFAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3cc(Cl)ccc3N1[C@H]2C(=O)c1cccs1 101490303 RRKMLLGXBGFJBG-DTZQCDIJSA-N 384.844 2.757 0 40 GFAB O=C(CN1CCN(CCCOc2ccc(F)cc2)CC1)N1CCCCCC1 52685107 KPQDXMGEKADXQL-UHFFFAOYSA-N 377.504 2.615 0 40 GFAB COc1cc(OC)c(NC(=O)c2ccc(N3CCOCC3)nc2)cc1Cl 12729994 JUKHIKSPSQZQKD-UHFFFAOYSA-N 377.828 2.841 0 40 GFAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1 58264394 LWXKKKJBBHUTTE-OCCSQVGLSA-N 379.888 2.921 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3303698 IPVRIXOPXUXPOR-GOSISDBHSA-N 380.444 2.834 0 40 GFAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCN(C)S(C)(=O)=O 48369065 QEHARTGENPDBEX-JTQLQIEISA-N 399.365 2.872 0 40 GFAB CCOc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1 113946219 CZZODJLJJCHNAK-SFHVURJKSA-N 390.461 2.641 0 40 GFAB CC(=O)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)nc2)cc1 10940572 PIVZWCIJHCVJOK-UHFFFAOYSA-N 383.521 2.523 0 40 GFAB COc1ccc(COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 12867264 ROUFORMCJOLHSX-QKKBWIMNSA-N 388.464 2.875 0 40 GFAB Cc1c(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)oc2ccccc12 23950712 MSMPFQGLIPKBTN-UHFFFAOYSA-N 377.352 2.763 0 40 GFAB O=C(c1ccc(Cl)s1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11155494 BXLVCDHTTPEUEV-UHFFFAOYSA-N 384.910 2.985 0 40 GFAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccccc2Cl)CN3)cc1 20572564 WVNSZGKTUANAOU-UHFFFAOYSA-N 382.851 2.873 0 40 GFAB COc1cc(NC(=O)CSc2ncnc3c2cnn3C)c(OC)cc1Cl 11685732 FDAKDHOZEZRASJ-UHFFFAOYSA-N 393.856 2.765 0 40 GFAB COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2c(C)cc(F)cc12 72328802 RWOVHWIVDQNANB-UHFFFAOYSA-N 397.406 2.882 0 40 GFAB COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)O)c1 60362410 ZBUMFSVCRPMHMG-UHFFFAOYSA-N 377.418 2.692 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)cc2NC1=O 12920615 MYDCQGDVNIXKPL-VXGBXAGGSA-N 383.379 2.537 0 40 GFAB CN(C)c1nc(N)nc(CSCC(=O)Nc2cccc(Cl)c2Cl)n1 8993931 LMRPWKLEFRGNMF-UHFFFAOYSA-N 387.296 2.699 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)nc2)c1 12995173 WHJOSVYJSJFQJK-UHFFFAOYSA-N 382.464 2.653 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1 12911247 QGQPDKVOLDIBBP-UHFFFAOYSA-N 377.224 2.710 0 40 GFAB Cc1ccc2nc3c(c(C(=O)O[C@H](C)C(=O)NC(=O)NC4CC4)c2c1)CCCC3 12938312 KCZDWOWXYAWBQQ-CYBMUJFWSA-N 395.459 2.956 0 40 GFAB O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCN(C3CCCCC3)C2)CC1 72312745 DLQPQVYZRJQLMK-SFHVURJKSA-N 387.499 2.765 0 40 GFAB C[C@@]1(c2ccc(C(=O)N[C@H](c3ccccc3)c3ccco3)cc2)NC(=O)NC1=O 72311825 BLIBZSRJFDJTAN-GCJKJVERSA-N 389.411 2.854 0 40 GFAB COc1ccc(C(=O)N2CCCC2)cc1NCc1cc(=O)n2cccc(C)c2n1 63283942 HLKCZTMKJLSRTM-UHFFFAOYSA-N 392.459 2.860 0 40 GFAB COc1ccc(CNC(=O)CCSc2nc(Cl)nc3nc[nH]c23)cc1 13570194 HGZGBAWJVPBMCW-UHFFFAOYSA-N 377.857 2.814 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCc3ccccc3C2)c1 9125604 AEISCMATAIDGPQ-UHFFFAOYSA-N 378.881 2.740 0 40 GFAB COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccccc4C)C3=O)c2c1 5274547 MTCYSBNJEWTUMO-LJQANCHMSA-N 377.444 2.949 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(F)c(F)c1 22373463 DSSLRWLWXLDZCQ-SFHVURJKSA-N 394.443 2.925 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)c1 6429365 ZOSLNRKXXSAXJH-UHFFFAOYSA-N 381.432 2.533 0 40 GFAB CC1(C)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O 14189348 FVRRGQXHQMVZPF-KRWDZBQOSA-N 385.851 2.876 0 40 GFAB CC(C)(C)OC(=O)N1CCO[C@@H](COC(=O)/C=C/c2ccc3c(c2)OCO3)C1 96013327 MCVHGRJPMYKQHL-KEDPEKRHSA-N 391.420 2.608 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 4682045 QKAXQIGUNBVMPE-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1N1CCOCC1 6830375 LLFSPLXHEYVXCC-UHFFFAOYSA-N 384.432 2.752 0 40 GFAB COc1cccc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)c1 6810207 DLQGYIUJSGEGRH-HNNXBMFYSA-N 379.503 2.895 0 40 GFAB CSc1nc2nc(C)c(CCC(=O)Nc3nnc(C4CC4)s3)c(C)n2n1 9376320 PWRRXTRZCYVVGY-UHFFFAOYSA-N 389.510 2.763 0 40 GFAB Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 6938167 ANTCMHJFZAJUQD-UHFFFAOYSA-N 393.440 2.799 0 40 GFAB O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cscn1 97548022 ZOLXZKIXBAKDGG-OAHLLOKOSA-N 385.411 2.965 0 40 GFAB O=C(CSC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 7603100 AORPYOLYOQQFBC-UHFFFAOYSA-N 398.550 2.712 0 40 GFAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(F)cc1F 7956714 ABTSPTSSMLVQRU-UHFFFAOYSA-N 395.431 2.800 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(NC2CC2)s1 8249511 CTNBJXNUDUBQKK-GFCCVEGCSA-N 392.506 2.503 0 40 GFAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1 409171327 ZHVCFUCZSBFAJV-VIZOYTHASA-N 386.385 2.992 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 8395522 QBUSKGFJBQMOHZ-UHFFFAOYSA-N 393.403 2.721 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 27845417 XUZXULDHOZLFPL-QWHCGFSZSA-N 378.416 2.504 0 40 GFAB O=C(CSc1nnnn1-c1cccc(F)c1)NCc1ccc(Cl)cc1 8427865 NGMKSZFECBYSCG-UHFFFAOYSA-N 377.832 2.863 0 40 GFAB CSc1ccc(NC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 83881686 VAKMPTJBOCDYHK-UHFFFAOYSA-N 390.553 2.817 0 40 GFAB CN1CCO[C@@H]([C@@H](NC2CN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc2)C1 95454574 GVUPNDXGXAYLPP-MSOLQXFVSA-N 395.931 2.921 0 40 GFAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CCOCC1)C(=O)OC2 62001697 XRBCEKJGFJYNJE-YIXHJXPBSA-N 389.448 2.507 0 40 GFAB biogenic Cc1cccc(C(=O)N2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 306141138 VMBBJOQEMQLSOX-SFTDATJTSA-N 386.455 2.913 0 40 GFAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1 408594291 OHWGAOQUNFTMAE-INIZCTEOSA-N 390.505 2.705 0 40 GFAB O=C(NCCC1=CCCCC1)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408976223 PWMXTTNVYOBAGT-UHFFFAOYSA-N 376.416 2.898 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccccn3)n2)cc1 408583901 YMWQSHYEOWPRCO-UHFFFAOYSA-N 383.433 2.774 0 40 GFAB CC(C)c1ccccc1NC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 558137346 CKONXCLAFUOHCS-HNNXBMFYSA-N 382.530 2.592 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-c3csnn3)cc2)c1C 1540400851 PYXHXKYEFBYDQW-UHFFFAOYSA-N 388.474 2.722 0 40 GFAB Cc1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32755045 VEGQONWBBVMLGK-UHFFFAOYSA-N 395.502 2.937 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(Cc1ccccn1)CC(F)(F)F 62021831 VJBNUVTXJRBVGZ-UHFFFAOYSA-N 378.347 2.983 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN12 35877041 GJIOGOHEZHMFOV-MKXGPGLRSA-N 396.393 2.800 0 40 GFAB CC[C@@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30064046 WGXYHVAFSLBRBK-LJQANCHMSA-N 388.489 2.684 0 40 GFAB COc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)c(OC)c1 48656545 KUZKQPBDGFOCCE-LBPRGKRZSA-N 386.379 2.883 0 40 GFAB CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224858476 UJZZIKBMQDDZDD-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1nccc(N2CCOCC2)n1 224170887 KRJPRUFSMAAYQG-UHFFFAOYSA-N 395.488 2.675 0 40 GFAB Cc1nc2c(c(N3CCC(NC(=O)c4ccc5[nH]cnc5c4)CC3)n1)CCCC2 225740150 FIPLPYMQSBLAOI-UHFFFAOYSA-N 390.491 2.939 0 40 GFAB CCC(CC)NC(=O)c1ccc2nnc([C@H]3CCN(C(=O)NC(C)C)C3)n2c1 96267615 ALIUJURCFJRFTL-AWEZNQCLSA-N 386.500 2.555 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1cccc(F)c1 96077429 FVRHMWQXACMKSI-QGZVFWFLSA-N 380.466 2.705 0 40 GFAB CCCC(=O)N1CCC[C@@H](c2nc(CS(=O)(=O)c3ccccc3)no2)C1 585084416 XCIPQAGMKGJMMK-CQSZACIVSA-N 377.466 2.550 0 40 GFAB COc1cccc(C(=O)N[C@H]2CC[C@H](Oc3ncc(F)cn3)CC2)c1OC 244998650 KNZOWAUKENVVIY-HDJSIYSDSA-N 375.400 2.753 0 40 GFAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)o2)cc1 257237064 HEZYOXSFCZHUQQ-QGZVFWFLSA-N 397.475 2.602 0 40 GFAB C[C@@H]1Cc2cc([C@H](O)CN3CC[C@H]4CCCC[C@@H]4C3)ccc2N1S(C)(=O)=O 253593943 FFGZQGVHUYYKTP-BZSOYRFXSA-N 392.565 2.943 0 40 GFAB Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 24774379 CRBTXXWQVYHFNJ-UHFFFAOYSA-N 399.472 2.750 0 40 GFAB COc1ccccc1NC(=O)CN1CCC(N2CCc3ccccc3C2=O)CC1 257315087 UZVZSPACBUYDKS-UHFFFAOYSA-N 393.487 2.797 0 40 GFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccccn2)CC1 257296300 RCDNCXVFYITOBQ-MQSCRBSSSA-N 395.503 2.531 0 40 GFAB O=S(=O)(C1CC1)N1CCCN(c2ncc(Br)cc2Cl)CC1 374626956 NRDISOYZHGAOEN-UHFFFAOYSA-N 394.722 2.502 0 40 GFAB C[C@H]1CCn2cc(C(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)nc2C1 630752379 PIANZYKKBLCBIT-KRWDZBQOSA-N 394.519 2.819 0 40 GFAB O=C([C@H]1CCc2ncncc2C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 648760405 WSTQSFJACXZJHF-KRWDZBQOSA-N 388.475 2.773 0 40 GFAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCc2nncn2C1 655255043 VWRKKCXRFVIHIF-CYBMUJFWSA-N 394.397 2.977 0 40 GFAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 575402783 BXCGGYWXJXOFRF-MRXNPFEDSA-N 378.432 2.719 0 40 GFAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)[C@H]2C1 585106123 OFYLAQGFLLTCPA-CABCVRRESA-N 393.890 2.542 0 40 GFAB FC(F)(F)c1nc(-c2cncc([C@H]3CCCN(Cc4cncnc4)C3)n2)no1 585291009 ZCIAFSDBRWMTRT-LBPRGKRZSA-N 391.357 2.715 0 40 GFAB CN(Cc1cn(C)nn1)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 585101420 KOJTUTAVFXNEDT-UHFFFAOYSA-N 379.346 2.684 0 40 GFAB COc1ccccc1CNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 5439644 QINUBUKRCSPDMR-UHFFFAOYSA-N 388.489 2.864 0 40 GFAB CCOC(=O)C1CCN(c2c(C)c(C)nc3cc(-c4nccn4C)nn23)CC1 12087621 WJCJRPGEHWRCOH-UHFFFAOYSA-N 382.468 2.526 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19210862 PVFLDTCQRHDXHJ-ZWKOTPCHSA-N 394.519 2.946 0 40 GFAB CNc1ncc(CN[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1 19285363 NDMWNTUXHMTMCZ-QGZVFWFLSA-N 384.871 2.637 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529680 NKVDDHHSNMJOSL-YWNPBTLJSA-N 392.455 2.767 0 40 GFAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 19575302 SXYSQLFCCAYPMQ-LSTHTHJFSA-N 389.927 2.860 0 40 GFAB COCC(=O)N1CC[C@H](c2ccc3c(NCc4ccccc4OC)n[nH]c3n2)C1 19705045 ZUUWHFGWYHWAKL-HNNXBMFYSA-N 395.463 2.541 0 40 GFAB CCCN1CCC2(CCCCOCCCNC(=O)[C@H](CC(C)C)NC2=O)CC1 643581535 LRHFLSGGIDZFSR-IBGZPJMESA-N 395.588 2.716 0 40 GFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@H]4CCCO4)nn3cn2)cc1 12085200 BGTANHYGIMRNOM-XJKSGUPXSA-N 381.436 2.546 0 40 GFAB Cc1nnc(SCC(=O)N2CCC[C@@H]([C@@H]3CC(=O)c4ccccc4O3)C2)o1 13265317 ZVUGLZBLEMMZDM-DYVFJYSZSA-N 387.461 2.743 0 40 GFAB NCCn1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)nn1 565250039 NRVZRQNAVOKRCV-UHFFFAOYSA-N 390.900 2.520 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)cc2N1 19574632 SREOGLICIJDQDB-TYNCELHUSA-N 396.417 2.944 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCc3nc4ccsc4c(=O)[nH]3)CC2=O)cc1 5174178 PSYAWPGUJZUZNT-ZDUSSCGKSA-N 397.456 2.643 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc(C)c1C 5325860 AVWBNPGIEJUESN-UHFFFAOYSA-N 385.449 2.834 0 40 GFAB Brc1cnc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)nc1 1888844488 ZFSAVIDXTKRMIV-NSHDSACASA-N 376.258 2.812 0 40 GFAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)nc2c1 21170287 OMCCDPWCEPMKDJ-UHFFFAOYSA-N 390.490 2.558 0 40 GFAB CCCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O 4370553 BAAWWMMVTVQCAT-UHFFFAOYSA-N 383.427 2.695 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3Cl)OC2=O)cc1 8838570 SQEISTOBTCAEEL-AWEZNQCLSA-N 396.852 2.652 0 40 GFAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCCCC1 17170240 MUMOGTHDUNVWQX-LBPRGKRZSA-N 376.931 2.957 0 40 GFAB CCNC(=O)c1cnn2c([C@H]3CCCN(C(=O)[C@@]4(C)CC=CCC4)C3)ccnc12 2055738756 OQRNNWRWALLQOI-AOMKIAJQSA-N 395.507 2.931 0 40 GFAB Cc1nnc2c(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nccn12 1775969341 LZDRSBRCMDTOPD-UHFFFAOYSA-N 381.484 2.816 0 40 GFAB COc1cc2s/c(=N\C(=O)c3cnc4ccccc4n3)n(C)c2cc1OC 101035784 PYLBUESLYHHNDQ-QOCHGBHMSA-N 380.429 2.941 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363178 HJSWSCCQQXTGMQ-UHFFFAOYSA-N 394.478 2.971 0 40 GFAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2ncnc3c2CCC3)CC1 585503792 YDZAJWASMHGONF-UHFFFAOYSA-N 388.475 2.501 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 96120169 NJANVBAQRNPOFX-QGZVFWFLSA-N 376.434 2.627 0 40 GFAB CN1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)[C@@H](c2ccccc2)C1 30029872 OKPMXMGVLDWXFK-OAQYLSRUSA-N 377.488 2.938 0 40 GFAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc2c(c1)CCN2C(C)=O 40040694 CLIRNENZWKNQRT-UHFFFAOYSA-N 378.428 2.975 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC[C@@H]3C)CC2=O)cc1F 40047302 FHAVVXFAEOBHMZ-DLBZAZTESA-N 375.488 2.868 0 40 GFAB O=C(COc1ccc(Br)cc1)N1CCN(Cc2cccnc2)CC1 20149823 IMSNGNVFNFPCRL-UHFFFAOYSA-N 390.281 2.567 0 40 GFAB CCN(Cc1cccs1)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 32795566 ILWORWPWSBNIJU-UHFFFAOYSA-N 387.505 2.952 0 40 GFAB C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)NC1CCCCCC1 32776025 CLFGATOVAKRKSF-HNNXBMFYSA-N 385.464 2.940 0 40 GFAB O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccccc1Br 32851061 WZLLXGSCKAUMDL-UHFFFAOYSA-N 378.270 2.798 0 40 GFAB COc1cc(NC(=O)c2ccc(OC(C)=O)c(OC)c2)c(C(=O)O)cc1OC 692417 CGAUABWAHYFSLX-UHFFFAOYSA-N 389.360 2.588 0 40 GFAB biogenic CC(=O)[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)C 704995 HENIHHMPBMXZIF-NSHDSACASA-N 384.255 2.637 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1F 940577 BIGNOXJGWNGFRA-QGZVFWFLSA-N 380.383 2.748 0 40 GFAB Cc1ccc2c(c1)N(CC(=O)N(Cc1ccc(C)o1)C[C@H]1CCCO1)C(=O)CO2 1362134 GQIPZLVQBSSYOC-QGZVFWFLSA-N 398.459 2.830 0 40 GFAB Cc1ccc(C)c(OCC(=O)NC[C@@H](C)NC(=O)COc2cc(C)ccc2C)c1 2135238 UNZLAZYQHOHCOU-LJQANCHMSA-N 398.503 2.999 0 40 GFAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OC)cc1OC 2703002 QRCVBVJQOVSKST-BMIGLBTASA-N 376.434 2.525 0 40 GFAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)nc2cc(C(F)(F)F)ccc12 3356739 YYJHGLDHBGUBCO-UHFFFAOYSA-N 389.381 2.659 0 40 GFAB NC(=O)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 3422090 LDKUHCYLZMBYQI-UHFFFAOYSA-N 392.786 2.936 0 40 GFAB CCc1ccc(N2C(=O)N(c3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4393600 OFQCXCGNMDNYBD-QZTJIDSGSA-N 386.473 2.870 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 4477303 DZJJEYFKIAGEPJ-KARBNTKWSA-N 395.503 2.929 0 40 GFAB COc1cccc(CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)c1 4540665 RTBZZDCSPQWHAU-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc12 4912482 DPROQFUHJIZPGR-UHFFFAOYSA-N 393.491 2.809 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2)c1 4964283 VNOGCOXLNSAOTA-UHFFFAOYSA-N 389.521 2.788 0 40 GFAB C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc(C(N)=O)cc1 5291572 SXDSKSNGUZGBHR-JTQLQIEISA-N 378.331 2.571 0 40 GFAB COCCNC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 6623784 WUGCBZJTTBXSDF-UHFFFAOYSA-N 383.400 2.610 0 40 GFAB biogenic COCCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 6792074 ZLTLJSDGTUPQMG-YCRPNKLZSA-N 391.471 2.875 0 40 GFAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 7777413 NLEMWAVKMVISDD-KRWDZBQOSA-N 378.432 2.956 0 40 GFAB CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)c1ccc2c(c1)CCC2 7845726 AQYHBMXBNIRVSD-UHFFFAOYSA-N 386.521 2.816 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 7872076 XRKKFMRSZBSDQT-GFCCVEGCSA-N 378.425 2.822 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 7986508 PGJDBZJPCSHWHL-UHFFFAOYSA-N 396.447 2.858 0 40 GFAB O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8026751 AQQSCTFPCIRPAS-UHFFFAOYSA-N 394.493 2.523 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 8037438 QDVMJDZAJJEQJM-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccc2c(c1)CCCC2 8133858 LAVYCDOKPPVJII-HNNXBMFYSA-N 391.471 2.836 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 8195573 QUVIGOLFASDGRU-UHFFFAOYSA-N 394.518 2.889 0 40 GFAB CCOc1ccc(-n2nc(CO)c(C(=O)NCc3ccc(Cl)cc3)n2)cc1 8613633 KSDJOCFMEYMDIX-UHFFFAOYSA-N 386.839 2.742 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)CC1 8808029 RTTLQOSNAGDIJC-CYBMUJFWSA-N 375.494 2.856 0 40 GFAB Cc1ccc(F)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C 8935382 AGPGWHPKAUSSSW-OAHLLOKOSA-N 381.429 2.531 0 40 GFAB C[C@@H](OC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(F)cc1 9052989 SPVZWISBVVZLMD-GFCCVEGCSA-N 376.359 2.579 0 40 GFAB CC(C)OCCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10359393 GYPLSRFSIHDYDY-UHFFFAOYSA-N 384.542 2.681 0 40 GFAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 10785075 VETHWXUPWPTHRI-KRWDZBQOSA-N 390.530 2.876 0 40 GFAB NC(=O)N[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 11331504 PAGFHMCDKJXBLI-LJQANCHMSA-N 394.475 2.663 0 40 GFAB COc1cc(CC(=O)N2CCC(C(=O)c3cccnc3)CC2)cc(OC)c1OC 12143297 LDJUKEQWYRZXIW-UHFFFAOYSA-N 398.459 2.771 0 40 GFAB O=C(O)c1cccc(-c2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cn3)o2)c1 12436730 JBNCXCFLLLZPIV-UHFFFAOYSA-N 380.316 2.712 0 40 GFAB COC(=O)c1sc2nc(Cc3nccn3Cc3ccccc3)[nH]c(=O)c2c1C 12582283 OJCAFUDEHWKBJB-UHFFFAOYSA-N 394.456 2.915 0 40 GFAB CCC[C@H](C)NC(=O)Cn1c(C)nc2sc(C(=O)OCC)c(C)c2c1=O 13009654 ACOYENHAHUQLMO-JTQLQIEISA-N 379.482 2.556 0 40 GFAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC2CC2)cn3C2CC2)CC1 13691232 QBXDUHDLAMHMRJ-UHFFFAOYSA-N 398.482 2.510 0 40 GFAB O=C(COc1ccc(Br)cc1)NCCc1nnc2n1CCCCC2 14198405 ZKXPITDGBMRTMV-UHFFFAOYSA-N 393.285 2.505 0 40 GFAB COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(CC=C(C)C)[nH]c2c1 14824006 XNRPVPHNDQHWLJ-PMACEKPBSA-N 381.476 2.717 0 40 GFAB biogenic,in-vitro Cc1ccccc1OCCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 15313246 VXZJQWOSWRDEKX-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 15842952 OSXLJMGSDWPTQN-ZDUSSCGKSA-N 388.445 2.650 0 40 GFAB O=C1NC(S)=N/C1=C/c1cc(Br)c(O)c(Br)c1 16383265 SPEXCGVBDVZFJX-XVNBXDOJSA-N 378.045 2.674 0 40 GFAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1-n1cnnn1 17703288 YAMDHDIHVGMFIQ-UHFFFAOYSA-N 382.767 2.723 0 40 GFAB CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1cccc(Br)c1 18080941 RYKBKHGCXQOFGR-UHFFFAOYSA-N 379.229 2.977 0 40 GFAB COCc1ccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 19018564 JBLGKGCIKLSBRG-FQEVSTJZSA-N 394.475 2.505 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)ncc2C1 19135726 GTNAPSNPIILBSH-VQIMIIECSA-N 392.503 2.809 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 19210827 SBIWDTKVUAMUSE-KRWDZBQOSA-N 394.519 2.946 0 40 GFAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccc(O)cc2)CC1 19291269 NYRUXLGQQXLZPU-NRFANRHFSA-N 396.466 2.669 0 40 GFAB CCCC(=O)N1CCO[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)NCC)C1 19501477 IBZAFZHWYPNEGD-HSZRJFAPSA-N 395.503 2.825 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529762 TUCKQRDULDVKFJ-KCXPTXFHSA-N 396.418 2.598 0 40 GFAB CCOc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 19533590 NGFSBRDTKUOEIG-YWZLYKJASA-N 396.491 2.652 0 40 GFAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 19575961 SXYSQLFCCAYPMQ-FFZOFVMBSA-N 389.927 2.860 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@H]3CCN(C)C3)ncc2C1 19587997 ZAFAFZFINCUHIM-ZDUSSCGKSA-N 386.883 2.756 0 40 GFAB C[C@@H]1CCc2nc(NC(=O)Cn3cc(NC(=O)c4ccccn4)cn3)sc2C1 19749481 RYDLWUKGLCQDHM-GFCCVEGCSA-N 396.476 2.750 0 40 GFAB COc1cc(C(=O)OCC(=O)N[C@H](C)CCCC(C)C)cc2c1OCCO2 27873480 VVJIHICLHPEBCK-CQSZACIVSA-N 379.453 2.954 0 40 GFAB Cc1nn(Cn2ccc(C(=O)Nc3ccncc3)n2)c(C)c1Br 28235007 BEIKNHVMCOMGHU-UHFFFAOYSA-N 375.230 2.612 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1 30753843 VLGBEGFMKKMEDI-UHFFFAOYSA-N 399.472 2.587 0 40 GFAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c(OC)c1 31819206 NVBWHJDGWPYABI-ZDUSSCGKSA-N 381.392 2.817 0 40 GFAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1ccc(N2CCOCC2)cc1 32691454 UAJKWGPXWWTAHS-HXUWFJFHSA-N 382.460 2.910 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc21 32722096 CFJSYHPREAGOFV-UHFFFAOYSA-N 376.416 2.717 0 40 GFAB CN1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccccc2)CC1 33593920 YQHBMYZSEZHBQO-VAWYXSNFSA-N 380.517 2.965 0 40 GFAB O=c1[nH]c(SCc2ccc(Br)cc2)ncc1CN1CCOCC1 35245442 UUUPEKFWUWGPSS-UHFFFAOYSA-N 396.310 2.657 0 40 GFAB O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)N1CCC[C@@H]1CO 36575901 OHQIUFCUXNOCJT-QGZVFWFLSA-N 379.412 2.822 0 40 GFAB biogenic CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccnc(-n2cccn2)c1 40087928 QONJHELJLOCJPQ-LJQANCHMSA-N 392.463 2.730 0 40 GFAB CN(C)[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccc(F)c1 42765229 CWJNZJHTKSEVGT-INIZCTEOSA-N 391.878 2.902 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)cc1 48237680 RYDLTVLDWGXNMJ-SUMWQHHRSA-N 394.518 2.787 0 40 GFAB NC(=O)c1cnc(NC2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 48299294 OZPMTOSPNGPJMR-UHFFFAOYSA-N 376.819 2.690 0 40 GFAB COc1ccc(-c2nnc(CC(=O)N3CCN(c4ccccc4F)CC3)o2)cc1 49405747 LXUPWKOJVRGSSR-UHFFFAOYSA-N 396.422 2.776 0 40 GFAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 55546653 QUXHHQGZTXVBAX-UHFFFAOYSA-N 397.294 2.929 0 40 GFAB Cc1cc(=O)n2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)sc2n1 58170537 CWTJAJMBIZWBHB-AWEZNQCLSA-N 384.461 2.568 0 40 GFAB O=S(=O)(/N=C(\O)c1ccco1)c1cccc(I)c1 67635000 UKFQHGGRUDZYDI-UHFFFAOYSA-N 377.159 2.578 0 40 GFAB N[C@@H](C(=O)N1CCC(c2cc(Nc3ccccn3)[nH]n2)CC1)c1ccccc1 72360777 VKPUWQKODAYLQW-HXUWFJFHSA-N 376.464 2.954 0 40 GFAB Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 72362679 AYHMZSZRHTWQTK-KRWDZBQOSA-N 394.475 2.906 0 40 GFAB COc1ccc(C2(C(=O)NCCCc3nnc4ccccn34)CCOCC2)cc1 79464642 LQPMMUGBKWNZHW-UHFFFAOYSA-N 394.475 2.535 0 40 GFAB COc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(C)c(C)c3)C[C@H]2C)c1 95450371 PUVAVNSFYFKLOS-GOSISDBHSA-N 395.503 2.779 0 40 GFAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cc(C4CC4)[nH]n3)no2)cn1 96001878 CSBJUGWYEQBHKR-MRXNPFEDSA-N 381.440 2.828 0 40 GFAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2cccc(OC)c2)Oc2ccccc21 96111942 BIPVHPCWXACWOM-ICSRJNTNSA-N 382.460 2.710 0 40 GFAB biogenic,in-vitro COc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(=O)Cc1ccccc1)C2 96112872 HJTGLFLSQSMACK-KRWDZBQOSA-N 377.444 2.816 0 40 GFAB biogenic,in-vitro Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)NCCc1ccco1 96232105 VSYXSBOAUFWDFC-UHFFFAOYSA-N 382.395 2.508 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@@H]1CCCCN1Cc1cccnc1 97164519 BNZGLTJMCKTGCX-FQEVSTJZSA-N 399.466 2.777 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H](C(=O)NCCN4CCCCC4)[C@@H]31)O2 100124916 RCBWNGNACAEJIX-NCDVDMNXSA-N 382.504 2.957 0 40 GFAB Cc1nnc(NC(=O)Nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)s1 100848407 WBQHAGMAWOGWHJ-LWWSYDQCSA-N 395.444 2.802 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222482234 NOOHXMAYLSYXLU-CQSZACIVSA-N 376.478 2.890 0 40 GFAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(N)(=O)=O 223037660 BLKVQBSEMFOQTD-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)Nc1nnc(SC)s1 224636601 KICUIWAFXZFTJO-UHFFFAOYSA-N 396.313 2.832 0 40 GFAB CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224891553 KBWAJJDWMCROHM-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 225623980 REVHRCQUIUKCGX-CYBMUJFWSA-N 393.461 2.671 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)c3cc(-c4ccco4)on3)n2)cn1 245187638 ZRRGDNIWDUBZOF-UHFFFAOYSA-N 381.348 2.708 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245230582 UVNKWBCKIUPKEV-VDVULAQNSA-N 396.418 2.516 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCSCC1)C(=O)Nc1ccccc1Cl 253400030 KJNSHNIADHCCLQ-OAHLLOKOSA-N 393.896 2.778 0 40 GFAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4ncccn4)C3)ccc2c1N 257207774 BJEFMDPQSJNJCP-IBGZPJMESA-N 382.493 2.586 0 40 GFAB COc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC[C@H]2CCCO2)n1 260723352 XWCMHOJTHJGXIO-MRXNPFEDSA-N 399.520 2.513 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@]12CN(CC1CC1)C[C@@H]2c1cccnc1 306140243 UNVDHILINJPFTH-CTNGQTDRSA-N 383.517 2.750 0 40 GFAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 306145109 ZYKYTVFMTKOQFP-FPOVZHCZSA-N 383.517 2.750 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1 408602339 DANBJRXKIYTWLY-QWHCGFSZSA-N 396.896 2.893 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709953 ZWZMTINXVDAEFT-PBHICJAKSA-N 383.448 2.843 0 40 GFAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(C)cnc2OC(C)C)C1 626574997 ANUKLLHVJFJPBA-SOLBZPMBSA-N 376.501 2.941 0 40 GFAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2cnn(C)c2)CC1 643913426 WXOXHEWZTPDSMB-UHFFFAOYSA-N 384.509 2.506 0 40 GFAB O=C(O)c1sccc1CN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 656764544 YTNDOWHXKJBHIS-OAHLLOKOSA-N 380.491 2.853 0 40 GFAB O=C(CCSc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21 675008246 LSNQTFBXRFCXDR-UHFFFAOYSA-N 384.505 2.775 0 40 GFAB O=C(C[C@H]1CC2(CCN(Cc3cn[nH]c3)CC2)Oc2ccccc21)NC1CC1 1203090764 PEBVMTMZYZNLMC-KRWDZBQOSA-N 380.492 2.979 0 40 GFAB C=CC(=O)NCc1ccc(C(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1 1528923149 WLAGAOUZVFZVIE-LJQANCHMSA-N 386.398 2.981 0 40 GFAB COc1ncccc1CN1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 1534646130 CKXQYWNBRZFPIZ-HOTGVXAUSA-N 382.464 2.735 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 1848354151 UURWOYNHMQQCTM-OAQYLSRUSA-N 379.504 2.552 0 40 GFAB Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)cnn1-c1ccccc1F 78975884 OWFINTSJCMVRHW-INIZCTEOSA-N 398.442 2.826 0 40 GFAB CCOc1ncccc1CNC(=O)c1nc(NC(C)=O)ccc1Br 79044589 ZTYYMHVVYQJEFL-UHFFFAOYSA-N 393.241 2.526 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 79487563 XJZUVCPMCQEWIU-XJKSGUPXSA-N 377.491 2.975 0 40 GFAB COc1ccc(OCCN2CCN(C(=S)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 103349110 UXGQLPXJZZCQBY-ZWOKBUDYSA-N 389.565 2.755 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(C)=O 3496846 PSZNAFSKXQNINJ-UHFFFAOYSA-N 397.460 2.994 0 40 GFAB COc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(C)c2c1 4085228 LPUQYEMWSNNJJH-CABCVRRESA-N 377.444 2.906 0 40 GFAB biogenic Cc1ccc(CNC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1F 12487923 ZKSNIFJXVNIRBE-UHFFFAOYSA-N 378.469 2.931 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(I)cc1)C31CC1 4856262 SXBUIFRWYXAUGI-KPWCQOOUSA-N 391.208 2.993 0 40 GFAB CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 4968709 AEXQEZUJJZNDLT-UHFFFAOYSA-N 390.509 2.628 0 40 GFAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 6879626 HLORQKWUHGLEGB-GDNBJRDFSA-N 378.450 2.656 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 7758831 XAAYUYUJUJONCE-UHFFFAOYSA-N 395.864 2.994 0 40 GFAB C[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1Cc2ccccc2C1=O 61721871 WRGBFWQQIPONBM-VQFGERMISA-N 389.499 2.889 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810772 LBSDGLPIACEFCT-LLVKDONJSA-N 384.404 2.530 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102223878 AXMBKMAQAXZRRI-RKAKKKFESA-N 380.448 2.619 0 40 GFAB C[C@]1(C(=O)NCc2ccc(Cn3cccn3)cc2)Cc2ccccc2C(=O)O1 24747666 FMHCUBCXBVZQJQ-JOCHJYFZSA-N 375.428 2.719 0 40 GFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCNS(=O)(=O)c1ccccc1 55736466 VKWYPIPRAGHUDZ-HNNXBMFYSA-N 397.500 2.982 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1c2ccccc2CC[C@H]1C 12534771 FXVPJWMZQNUAKK-MRXNPFEDSA-N 381.476 2.900 0 40 GFAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)c(C)c1 57493136 KKKYDCXGLSPYBE-UHFFFAOYSA-N 385.489 2.745 0 40 GFAB O=c1c(NCCc2cccc(F)c2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101708214 PQWZBSLBTXJUFI-UHFFFAOYSA-N 397.425 2.542 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 58003235 ZMXUUSILLPCWRB-UHFFFAOYSA-N 391.431 2.670 0 40 GFAB O=C1NC(=O)C2(CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)N1 12795113 AERDSYGERKLHAC-UHFFFAOYSA-N 397.435 2.676 0 40 GFAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCC(=O)O 2124414 HOBOFBGGTHPEDQ-ZDUSSCGKSA-N 381.384 2.818 0 40 GFAB biogenic O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cn2ccccc2=O)o1 27837809 GCFGIJNXZWBEML-KRWDZBQOSA-N 377.444 2.746 0 40 GFAB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670437 KJYWNIJDMWPQEF-PMACEKPBSA-N 384.528 2.906 0 40 GFAB CON1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104137684 MIUSIGVYOUEARI-QXLRJHSISA-N 399.872 2.995 0 40 GFAB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1 3328363 MZBJVZVQXPSZSE-UHFFFAOYSA-N 376.453 2.543 0 40 GFAB Cc1nc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc1-c1ccccc1 36393928 SQUGDPQGJZEZEY-CQSZACIVSA-N 379.507 2.729 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1N 2355788 VBUBFIUWDUYFQG-UHFFFAOYSA-N 383.477 2.961 0 40 GFAB CCOc1cccc(NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)c1 10294457 KEZGBIGTEAUTHP-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCc1ccc2c(c1)OCCO2 12812738 PVSFJCPUIPEFEK-UHFFFAOYSA-N 397.406 2.938 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCSc1nc2ccccc2s1 2625398 BNKCQQWLQINRFE-NSHDSACASA-N 395.506 2.946 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(Cl)c1 2662872 KFOATFLNJGTOHI-INIZCTEOSA-N 378.812 2.869 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C)c1 12927137 OBKJQXLMZLEUHV-SFHVURJKSA-N 376.522 2.801 0 40 GFAB C[C@H]1Cc2cc(C(=O)N(C)Cc3cccc(F)c3)ccc2N1S(C)(=O)=O 12986219 MZJSYICHSRRMER-ZDUSSCGKSA-N 376.453 2.809 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(O)c1 12974752 YVQJTEHCFSOSAX-MRXNPFEDSA-N 378.425 2.632 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1-c1ccccc1 13004265 IUAIDPAECGZTSV-FQEVSTJZSA-N 392.480 2.955 0 40 GFAB O=C(CNCc1cccnc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 95351430 RHSFBRGCUBAZEF-UHFFFAOYSA-N 394.397 2.665 0 40 GFAB CCc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 5025683 FLVCBFLRAPNIKV-IBGZPJMESA-N 387.501 2.844 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 5045793 JVXZUZNVMMQRSP-HNNXBMFYSA-N 379.503 2.651 0 40 GFAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1F 9115314 JNPXNHFILCIIDH-INIZCTEOSA-N 381.379 2.905 0 40 GFAB Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1F 4370558 LYPHTSWCOJEBLL-UHFFFAOYSA-N 383.427 2.551 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 5223345 DUKNKOQDTZVRED-UHFFFAOYSA-N 390.442 2.723 0 40 GFAB CCN1CCN(c2ccc(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)c(C)c2)CC1 65820432 DVGQXHQTQHWCFF-FCHUYYIVSA-N 394.519 2.917 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)o1 6810310 LVOVLAAWXJPSBQ-CQSZACIVSA-N 397.880 2.836 0 40 GFAB COc1ccccc1CC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002503 BCHJRYIEEIPSFU-QGZVFWFLSA-N 380.423 2.767 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccoc2C)n1C 7236702 HZFPKFYCTVSVLN-QGZVFWFLSA-N 398.488 2.792 0 40 GFAB O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCN(c2ncccn2)CC1 9476814 QCWRKCCSGFRMOR-UHFFFAOYSA-N 390.472 2.839 0 40 GFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C)c2ccccc2C1 68864996 HXPXBIUFDAQUEL-OAQYLSRUSA-N 390.487 2.694 0 40 GFAB CCc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 8096335 AVDWREHHADYINE-OUKQBFOZSA-N 398.528 2.936 0 40 GFAB COc1ccc(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)cc1F 18091495 CPFVJCCDGXPRJB-JTQLQIEISA-N 384.454 2.721 0 40 GFAB CC(C)Cn1c(SCC(=O)NCCCN2CCCC2=O)nc2ccccc21 8710118 SCVACEVMZXGYLC-UHFFFAOYSA-N 388.537 2.913 0 40 GFAB Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3C3CCCC3)CC2)nc(C(C)C)n1 89599278 KTDDVUGDIWGISV-IBGZPJMESA-N 385.556 2.964 0 40 GFAB NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCCCOC2CCCCC2)c1 89762070 IZHSDSOUCBIOLO-UHFFFAOYSA-N 392.880 2.596 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl 20462118 DSQOVSXMWNNGNO-INIZCTEOSA-N 380.853 2.814 0 40 GFAB COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38834261 JQBSKPVBSBFXJN-MRXNPFEDSA-N 396.852 2.514 0 40 GFAB COc1ccc([C@H](CNC(=O)CSc2ccccc2)N2CCOCC2)cc1 33026015 ZWFSKJRGOLANQL-FQEVSTJZSA-N 386.517 2.977 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640098 DLKDAITUAXKZHY-OAHLLOKOSA-N 377.359 2.998 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)C[C@H]1C(F)(F)F 565881742 LFUJCXFCSUBZTQ-VXGBXAGGSA-N 397.357 2.724 0 40 GFAB CCc1ccc([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1 565987713 GWYJBXUWXVEIEY-INIZCTEOSA-N 386.473 2.758 0 40 GFAB Cn1nc(C(C)(C)C)cc1C(=O)Nc1nnc(CCN2CCCCC2)s1 35314378 ZJGJVMQGUVJRIC-UHFFFAOYSA-N 376.530 2.850 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4nccs4)C3)ncn2)n1 70656060 QONIUHUCMMZZLR-AWEZNQCLSA-N 383.481 2.591 0 40 GFAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1OC 225748788 SCCWYMASSJVNSL-UHFFFAOYSA-N 384.407 2.517 0 40 GFAB CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889070 SDDUZASFYODLAK-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB CCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224786968 TWZQRZCHPVOHJN-UHFFFAOYSA-N 396.896 2.919 0 40 GFAB CCN(CC)C(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 223261110 ATRGQDJFYWVTAR-UHFFFAOYSA-N 382.526 2.671 0 40 GFAB Cc1c(C(=O)NCCCN(C)c2ccccc2)cccc1N(C)S(C)(=O)=O 222445601 OXTWDLLFVHFBKK-UHFFFAOYSA-N 389.521 2.647 0 40 GFAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225677629 UMSJZYDFXHYSLD-UHFFFAOYSA-N 392.502 2.866 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccs2)cc1 77115127 CMEQYOHBDKYGEI-OAHLLOKOSA-N 382.507 2.745 0 40 GFAB Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCCc2c(cnn2C)C1 577268909 RSFMHRBQSQCSRW-INIZCTEOSA-N 378.480 3.515 0 40 GFAB Cc1nc(NCc2ccco2)nc2c1COC[C@@]21CCN(C(=O)CC2CC2)C1 96100231 KMTZAALGGUTKIA-NRFANRHFSA-N 382.464 2.791 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227411 BWPDGZXNIDFHSE-DENIHFKCSA-N 381.451 2.660 0 40 GFAB COc1ccccc1[C@@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCOCC1 95473861 ODISVBOCKUWWLA-INIZCTEOSA-N 375.450 2.961 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257268823 MNIRWDURHOATLP-MRXNPFEDSA-N 390.440 2.664 0 40 GFAB CN(C)C(=O)c1cnc(C2(C)CCN(C(=O)c3n[nH]c4ccccc34)CC2)s1 257203108 AOSKPGLLHGEYAR-UHFFFAOYSA-N 397.504 2.915 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccc(OC)cc1OC 257253116 JXPPANJKVYSZSU-NQIIRXRSSA-N 397.475 2.715 0 40 GFAB NC(=S)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515717 MXTLARLGSJBSQP-BZUAXINKSA-N 395.889 2.911 0 40 GFAB CC(C)C[C@@H](NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1)c1cccs1 644327078 FWNUDWWNUANMAV-BEFAXECRSA-N 381.542 2.850 0 40 GFAB CN(C)c1cccc(CCC(=O)N2CCc3c(ncn3C)C23CCOCC3)c1 1615591876 UCLPWXBKQIELSZ-UHFFFAOYSA-N 382.508 2.509 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)O[C@H](C(=O)N(C)C)c1ccccc12 585109802 VSUUWEZMZSVHHK-SFHVURJKSA-N 383.448 2.582 0 40 GFAB Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 57004378 ZWFUSNQMHGZIRH-FCHUYYIVSA-N 379.504 2.917 0 40 GFAB COc1cccc(CNC(=O)[C@H](C)N2CCC(COc3ccccn3)CC2)c1 72308562 MOWPNGJLGPMGSJ-KRWDZBQOSA-N 383.492 2.886 0 40 GFAB Cc1cccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775995113 CFBDMZLHQYAVMK-UHFFFAOYSA-N 379.504 2.912 0 40 GFAB COc1cccc(NC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1OC 96121940 SCCHRCUZYCZKMZ-UHFFFAOYSA-N 382.482 2.667 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1 5192948 VLJFOBPMZZGYEL-QGZVFWFLSA-N 396.447 2.971 0 40 GFAB COC(=O)CCNC(=O)C[C@@H](CNC(=O)OCc1ccccc1)c1ccccc1 5510787 JJKAADRKJWLXIC-IBGZPJMESA-N 398.459 2.766 0 40 GFAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CCn1ncc2ccccc21 12182713 PCWMVEMGNCJVTP-GOSISDBHSA-N 389.459 2.731 0 40 GFAB COc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc1 12406659 JOVDEAJQNAFAPO-QGZVFWFLSA-N 390.505 2.517 0 40 GFAB O=C(CC[C@H]1CCCO1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12407051 LNEXGHQYLMZUOM-CHWSQXEVSA-N 379.411 2.727 0 40 GFAB Cc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1 19287694 XYSOTIJHGHPEFS-DOTOQJQBSA-N 395.463 2.508 0 40 GFAB O=C(Nc1cnn(CC(=O)N(Cc2ccccn2)C2CC2)c1)c1ccc(F)cc1 19749396 ZYDMPKQMZQGGDL-UHFFFAOYSA-N 393.422 2.861 0 40 GFAB C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 4598909 AJPCDTNVOWVUTL-HXGSSHHBSA-N 375.281 2.801 0 40 GFAB Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422476 LAAXNNUICKPLIE-UHFFFAOYSA-N 393.491 2.908 0 40 GFAB O=C(CCc1ccccc1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576529 PDUQFGSODKKZCI-FCHUYYIVSA-N 397.515 2.975 0 40 GFAB O=c1c2ccccc2ncn1CC1(O)CCN(Cc2ccc(F)c(F)c2)CC1 19375930 NTMHIPGREDLLDD-UHFFFAOYSA-N 385.414 2.702 0 40 GFAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)ccc1OC(F)F 10086013 ZROQHOKMDGWXMN-UHFFFAOYSA-N 375.335 2.739 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1ccc(Cl)cc1Cl 6082804 PZERMETWUKCEJU-UHFFFAOYSA-N 395.242 2.811 0 40 GFAB CCn1ncc2c(C(=O)N3CCC(C(N)=O)CC3)cc(-c3cccs3)nc21 21334661 RKPHZMRVBTXSQO-UHFFFAOYSA-N 383.477 2.517 0 40 GFAB CC(C)c1ccc(OCC(=O)NCc2nnc3ccc(N4CCCC4)nn23)cc1 239593194 DSKSMFPNVZIBGR-UHFFFAOYSA-N 394.479 2.543 0 40 GFAB COc1ncccc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840466 NHNGWGBHDMBEBM-JOCHJYFZSA-N 395.459 2.519 0 40 GFAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccnc(OCC2CC2)c1 253402756 OQFXLLZJJAOBOX-CQSZACIVSA-N 375.469 2.952 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2OC)c1 909906 GPZDVIUQKPXUSB-LJQANCHMSA-N 397.431 2.979 0 40 GFAB Cc1cc(C)cc(-n2ccn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)c2=O)c1 10272843 OBIDZYGTYQJKAD-UHFFFAOYSA-N 377.444 2.872 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccn1C 11897880 GKJNHPZJFHRORF-CQSZACIVSA-N 376.309 2.913 0 40 GFAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)C2CC(F)C2)CC1 2055738880 XOKRWZOXRJODSR-UHFFFAOYSA-N 379.451 2.872 0 40 GFAB CCc1nc2sc([C@@H](c3ccco3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854165 LOKMBRNYDLBEAQ-CQSZACIVSA-N 390.465 2.580 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@](O)(c1ccoc1)c1cccs1 245020810 MIGFUTVVYSADCR-KRWDZBQOSA-N 397.449 2.703 0 40 GFAB CC(C)N1CC[C@H](N2CCC(CN(C)c3ncnc(C4CC4)c3F)CC2)C1=O 2298048819 SVIRIIAMYUPLMW-KRWDZBQOSA-N 389.519 2.651 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C1CC1 25226571 XRGOWLFYFRCPEE-UHFFFAOYSA-N 395.434 2.772 0 40 GFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 40154383 ZEENUZONTQBZHE-CQSZACIVSA-N 389.475 2.651 0 40 GFAB CNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40133274 LRQWQBZHQIRMSI-AWEZNQCLSA-N 387.871 2.653 0 40 GFAB NC(=O)C1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 102183977 FVSAOQYMDYCSAG-LGBHXNNWSA-N 383.330 2.834 0 40 GFAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)NCc3ccccc3)cc2)C1=O 32937734 HPXQGEZNLNIADJ-UHFFFAOYSA-N 380.448 2.516 0 40 GFAB O=C(NCCNC(=O)c1ccc(Br)o1)c1ccc2ccccc2n1 8990676 PKRAOAYOJVWOMI-UHFFFAOYSA-N 388.221 2.750 0 40 GFAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCSc1ccccc1Br 78994043 KSHYHUQKPTZYEL-NSHDSACASA-N 394.356 2.823 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3cc(NC(C)=O)ccc3OC)CC2=O)cc1 12321372 DWQGKIXSHIYDIB-CQSZACIVSA-N 397.431 2.654 0 40 GFAB COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCN(C)C2 4223489 RSZJRIACINMDJC-UHFFFAOYSA-N 390.461 2.792 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4553911 YVPPPSSLWAFOTN-GGNLRSJOSA-N 383.444 2.994 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 4999937 KAGQVEGKLGKFGS-UHFFFAOYSA-N 375.787 2.614 0 40 GFAB CCSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)s1 7654946 IKNLOBVPVDUHHO-JTQLQIEISA-N 378.479 2.650 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 8037104 BJQYMIDTVXRUCQ-INIZCTEOSA-N 396.443 2.929 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cn2cnc3ccccc32)CC1 23466469 BXSSYDBHAXUSTC-UHFFFAOYSA-N 390.896 2.654 0 40 GFAB COc1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1OC 23752073 BCJSGFZMPXJEOI-UHFFFAOYSA-N 397.504 2.940 0 40 GFAB Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 42793121 LUEJPPLHADZKJF-UHFFFAOYSA-N 376.434 2.504 0 40 GFAB CCc1noc(C)c1C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 52938671 ZKZIYZOENZBBBF-UHFFFAOYSA-N 391.493 2.779 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2cc(Br)ccc2Cl)C[C@@H](C)O1 12541760 SDAJYMVTNKGFJC-AOOOYVTPSA-N 390.661 2.895 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 113947181 OQNMQDLVZAHZJL-YVWKXTFCSA-N 390.549 2.842 0 40 GFAB Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O 57426491 LXDJDFIGUGEYLC-UHFFFAOYSA-N 384.244 2.707 0 40 GFAB CCc1nn2c(=O)cc(CNc3cccc(C(=O)N4CCCC4)c3)nc2s1 26805960 IHEIRBGKLWNLAG-UHFFFAOYSA-N 383.477 2.562 0 40 GFAB NC(=O)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 107105966 RQWCYQMFRQTVAQ-UHFFFAOYSA-N 388.851 2.891 0 40 GFAB Cc1cc(SCC(=O)Nc2cccc(Br)c2)n2cnnc2n1 35670657 WKCNRYOAOZLDJO-UHFFFAOYSA-N 378.255 2.926 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c12 48275988 OGKWJADLBRCPSB-SFHVURJKSA-N 378.432 2.968 0 40 GFAB O=C(COC(=O)[C@H]1CCCN1c1nccs1)Nc1ccccc1OC(F)F 97164507 HNOFBNOVEDTPCV-GFCCVEGCSA-N 397.403 2.895 0 40 GFAB COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1nc(C)cs1)C(F)(F)F 2292785 CQPSOVKLMKZKKY-AWEZNQCLSA-N 391.346 2.864 0 40 GFAB COc1ccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)cc1 2215013 DIXNPGUUIWISFD-UHFFFAOYSA-N 391.412 2.658 0 40 GFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCc2sccc2C1 10924189 CQXUAOWWYLUULN-UHFFFAOYSA-N 384.482 2.995 0 40 GFAB N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 2324368 WSIWKIPAPLJMHP-HNNXBMFYSA-N 377.853 2.939 0 40 GFAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1 2422341 AWOMICJHUMQBHW-UHFFFAOYSA-N 386.456 2.595 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)CC2=O)cc1 29264039 KSSZLOFHLKFXJH-SFHVURJKSA-N 391.471 2.638 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccccc2NS(C)(=O)=O)cc1OC 20490539 XUMWSFJGNJQFSY-GFCCVEGCSA-N 378.450 2.566 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 3407596 DJHHOMKFYBMHIV-CQSZACIVSA-N 383.448 2.795 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(Br)c1 3505738 LNARMJTXBBKTAR-UHFFFAOYSA-N 380.242 2.561 0 40 GFAB COc1cc(CNC(=O)CSc2ccccc2C(=O)O)cc(OC)c1OC 12978364 NDFSXGPSXMSZHK-UHFFFAOYSA-N 391.445 2.819 0 40 GFAB NC(=O)C1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 12948879 XPCUUUKENKDINR-HXUWFJFHSA-N 376.460 2.718 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 9113918 TYLXLOKJOWQZBM-UHFFFAOYSA-N 385.388 2.895 0 40 GFAB COc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OC 5191540 UXWKMIUPBVBJSS-JCBYOESDSA-N 397.481 2.948 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 6455480 XUKXQOZRJFTGEB-ZIAGYGMSSA-N 397.493 2.870 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)[C@@H](C)c1ccc(F)cc1 14196792 NDBJGPHUYUBJAP-HNNXBMFYSA-N 387.455 2.890 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1CCOc1cccc(Br)c1 4846584 RYPXNFGZFOANHL-UHFFFAOYSA-N 382.235 2.673 0 40 GFAB COC(=O)c1cc(OCC(=O)Nc2ccc3c(c2)CCC3)cc(C(=O)OC)c1 6949475 WKGGUTJAXDFEMM-UHFFFAOYSA-N 383.400 2.766 0 40 GFAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCCC4)c(=O)c3s2)C1 67226011 IIIRRMUFNAMIOC-CYBMUJFWSA-N 389.525 2.538 0 40 GFAB O=c1[nH]nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C[C@H]1CCCO1 7489685 CWEHAAHXJOYRQK-GFCCVEGCSA-N 393.856 2.746 0 40 GFAB O=C(CSc1nnnn1C1CC1)Nc1ccccc1C(=O)Nc1ccccc1 8075933 KIONFTPIABBACL-UHFFFAOYSA-N 394.460 2.991 0 40 GFAB O=C(CSc1ccccc1C(=O)NC1CCC(O)CC1)NCc1ccco1 8076056 YGRHDCJEOKSRSQ-UHFFFAOYSA-N 388.489 2.721 0 40 GFAB Cc1nn(C)c(C)c1CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C 95472492 IVTAWDMAWUTFSH-UHFFFAOYSA-N 383.448 2.764 0 40 GFAB Cc1ccc(CN2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)cc1 8768068 SZQNFPFYPRMJQZ-UHFFFAOYSA-N 376.460 2.580 0 40 GFAB CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)nn1 84199773 BFKRYEBVJNUZNR-ZFWWWQNUSA-N 393.390 2.745 0 40 GFAB Cn1c(Cc2ccccc2F)nnc1N1CCN(CCc2ccccc2)CC1 508554756 UUYPCEJCPPINGZ-UHFFFAOYSA-N 379.483 2.910 0 40 GFAB O=C(O)c1csc(S(=O)(=O)N2CCC3(CC2)OCCc2ccccc23)c1 569318502 YURMOFQESOFWRZ-UHFFFAOYSA-N 393.486 2.699 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C 223371899 OAQOZMCIDROFJF-IBGZPJMESA-N 384.476 2.936 0 40 GFAB O=C(NC[C@H]1CCCN(C(=O)C2(C(=O)O)CCCC2)C1)Nc1cccc(F)c1 571214311 ZVYQHOZAKDKKHD-CQSZACIVSA-N 391.443 2.831 0 40 GFAB CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(S(C)(=O)=O)cc1 225726119 OPCTZURDNXEFMW-OAHLLOKOSA-N 379.507 2.931 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC)cc1 222813509 VFZKCXHCLHOTBE-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)nn1-c1cccc(F)c1 578489832 QPMQEKJQFRIVJV-CRAIPNDOSA-N 398.442 3.095 0 40 GFAB O=C(CCc1ccccc1)N1CCC(NC(=O)N2CCC3(CCO3)CC2)CC1 581654685 SNVUXBZBRGCJKX-UHFFFAOYSA-N 385.508 2.575 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@]1(C)O 247982740 HTMIVWKRALTAAE-LZNRXBQRSA-N 393.443 2.823 0 40 GFAB Cc1c(C(=O)O)sc2[nH]cnc(=NC3CCN(Cc4ccccn4)CC3)c12 584843354 PDJRIPAIAPGZLW-UHFFFAOYSA-N 383.477 2.591 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)c(C)c1 253407807 WUCKHKFDFGEWFF-INIZCTEOSA-N 396.534 2.665 0 40 GFAB CCN1CCN(C(=O)COC)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 257212086 CBXCNPFSAPBBOY-FQEVSTJZSA-N 384.451 2.741 0 40 GFAB CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ccncn4)CC3)ccc2c1N 257229656 FYZZYXREDKHRSC-UHFFFAOYSA-N 396.520 2.928 0 40 GFAB C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCCC3)CC2)n1CC1CC1 612809828 ULZPCPAQUOSHMJ-HNNXBMFYSA-N 395.573 2.849 0 40 GFAB COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 260828191 MNZJUSUFFPHZGL-GHTZIAJQSA-N 394.471 2.866 0 40 GFAB C[C@H]1CN(C(=O)NCc2cccc(OCc3ccccn3)c2)CC[C@H]1C(=O)O 626744995 GCUDAPBNWHONBB-HNAYVOBHSA-N 383.448 2.913 0 40 GFAB CC1CC(n2nnc3c2CN(C(=O)c2ccc(Cn4cccn4)cc2)CC3)C1 634225157 NPVGFNBPOHEXKG-UHFFFAOYSA-N 376.464 2.692 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN[C@H](CO)c2ccc(F)cc2F)n1 1659536730 VBQPMKGJVSBFHT-MRXNPFEDSA-N 386.406 2.607 0 40 GFAB O=C(CSc1ccncc1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575606714 LLIAJWPIKGDHBW-QGZVFWFLSA-N 376.503 2.562 0 40 GFAB c1ccc(N2CCN(C3(CN[C@H]4CCCn5ccnc54)CCOCC3)CC2)cc1 585091232 SCUZKGRSUMTTMG-NRFANRHFSA-N 395.551 2.679 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c(=O)n12 12181881 NDZNHKQERSICRC-GJZGRUSLSA-N 381.480 2.957 0 40 GFAB Cn1nc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2nccnc21 12365104 PVOHOWXNDMNTOR-LBPRGKRZSA-N 391.884 2.585 0 40 GFAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 12602259 UDEYGQNMOXDLQC-XYJFISCASA-N 399.988 2.671 0 40 GFAB biogenic,in-vitro O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cccc(O)c1 12900552 ZPADRRINVVTRBW-UHFFFAOYSA-N 379.416 2.846 0 40 GFAB biogenic COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 13580800 NIACVHWWUOSKJJ-OAHLLOKOSA-N 398.500 2.638 0 40 GFAB CC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccccc1)S(C)(=O)=O 13711698 DNTPNTBRTJSCCE-GOSISDBHSA-N 389.477 2.828 0 40 GFAB COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2)cc(C(=O)OC)c1 15582112 ZKCRSNKDKNLYJI-UHFFFAOYSA-N 379.372 2.698 0 40 GFAB CCn1nnc2cc(C(=O)OCc3nnc(-c4ccc(OC)cc4)o3)ccc21 18262693 WOCYSVASXKTHFY-UHFFFAOYSA-N 379.376 2.867 0 40 GFAB Cc1nc(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)cc(=O)[nH]1 19240922 RMYUIKGRMBWFPX-KRWDZBQOSA-N 391.427 2.563 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cnn(C(C)C)c1)C2 19454928 WUHSAOSXYRTNKS-IBGZPJMESA-N 396.495 2.526 0 40 GFAB Cc1nn(CCC(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)c(C)c1C 19557116 JGDWZEDABZXGDG-HXUWFJFHSA-N 396.539 2.730 0 40 GFAB Nc1nnc(-c2ccc(OCc3cccnc3)c(I)c2)o1 226321108 KXQRKKUFRYWAHF-UHFFFAOYSA-N 394.172 2.897 0 40 GFAB O=C(N[C@H](C(=O)O)c1ccccc1Br)c1cnc2n1CCCC2 630208308 SGUBIVUKYQZZNG-AWEZNQCLSA-N 378.226 2.538 0 40 GFAB CC(=O)OC[C@]1(CC(=O)N2CCCC2)CCCN1C(=O)c1ccc(F)c(F)c1 643587245 ZOMRDWKDDPVVJB-HXUWFJFHSA-N 394.418 2.515 0 40 GFAB O=C(O)c1cnc(N2CCC(C(=O)Nc3ccccc3O)CC2)c(Cl)c1 647452033 PKFXLZWHNJHARG-UHFFFAOYSA-N 375.812 2.994 0 40 GFAB CCCn1ncc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c1C 19525940 MFUDMNKADUNYJB-MRXNPFEDSA-N 376.526 2.780 0 40 GFAB O=c1c2ccc(F)cc2ncn1C[C@H](O)COc1cccc(Br)c1 9690514 LBARKTXCLZTPKE-ZDUSSCGKSA-N 393.212 2.738 0 40 GFAB Cc1nc2ccccc2nc1N1CCN(c2nccc(N3CCCC3)n2)CC1 1889192007 HGPNTKGICAWOFY-UHFFFAOYSA-N 375.480 2.655 0 40 GFAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)c4c(C)nn(C)c4C)C3)C2)n1 2056224219 HBMZMUGLKKYDNK-NRFANRHFSA-N 382.512 2.658 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 7419043 BNCMOGSXBVXWGM-UHFFFAOYSA-N 381.436 2.713 0 40 GFAB Cc1ccsc1S(=O)(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 2055751422 VQQOYFVRSQGKNR-IKGGRYGDSA-N 394.518 2.589 0 40 GFAB COC[C@@H]1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)CN1Cc1cccnc1 2055835498 DDKUXRGVFWIUCS-NRFANRHFSA-N 396.535 2.872 0 40 GFAB O=S(=O)(c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 211105757 DIYCVQXKBPCYEM-CQSZACIVSA-N 389.495 2.514 0 40 GFAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(Cc5csc(C)n5)C[C@H]4C3)ncn2)n1 585614762 IOQSRUMSRDOYJP-IRXDYDNUSA-N 395.536 2.612 0 40 GFAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 675008252 LYVFDNFUYKZHSY-CYBMUJFWSA-N 376.459 2.536 0 40 GFAB COC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1 40069185 LXFDNNLMNRLIHU-CYBMUJFWSA-N 395.297 2.748 0 40 GFAB CC(=O)Nc1ccc(OS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cc1 30290057 VHLIZTBGPGEWHC-UHFFFAOYSA-N 394.836 2.951 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)C(=O)NCCCOCc2ccco2)n1 40122484 SESVPTSEILSANY-UHFFFAOYSA-N 396.447 2.744 0 40 GFAB C[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100788166 GFSSTFKBUHKJGQ-VJOHVRBBSA-N 393.468 2.944 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 32908725 FSWYGRIURNZHBM-CYBMUJFWSA-N 380.388 2.728 0 40 GFAB COc1cc(NC(=O)c2ccc(Br)o2)ccc1NS(C)(=O)=O 29967899 LWDFLPDJNVWLBQ-UHFFFAOYSA-N 389.227 2.675 0 40 GFAB COc1cc(CNC(=O)c2nc(-c3cccs3)no2)cc(OC)c1OC 2732896 PEDBBVLZLOXCBB-UHFFFAOYSA-N 375.406 2.754 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccn2)N1CCc1ccccc1 12325033 PDFCVQPUUAYNQR-IFMALSPDSA-N 394.496 2.973 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 3358840 SXJDTROQERQOIY-HNNXBMFYSA-N 398.278 2.512 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3C(C)(C)C)nc2n1 3397111 BVLPSULXRFPYTH-UHFFFAOYSA-N 381.436 2.834 0 40 GFAB COC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)c1 22617360 FJEJQTCSDFSEKO-SFHVURJKSA-N 384.432 2.875 0 40 GFAB O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)NCc1ccccc1 22800972 KLOOYXUYWRSNGW-UHFFFAOYSA-N 375.875 2.913 0 40 GFAB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)C1=O 842752 KBQKLCGJJOWDGX-UVTDQMKNSA-N 381.344 2.811 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 6081720 JRVWJWDMVZDZGB-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 6678708 PUUMFVVGLGOWMX-UHFFFAOYSA-N 395.440 2.813 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)c3ccco3)s2)c1 6818333 GWXJGMVLZYQQSF-UHFFFAOYSA-N 378.435 2.517 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 7778341 NPBSSXPEICWBFX-CRAIPNDOSA-N 389.540 2.769 0 40 GFAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)CCC1=O 7928537 PGSUEWFXSQLKSS-OAHLLOKOSA-N 392.411 2.607 0 40 GFAB COc1cc(C(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(OC)c1OC 976498 QCNAYMQWEXXBLQ-RYRKJORJSA-N 386.492 2.682 0 40 GFAB COc1nn(Cc2cc(O)n3ncc(-c4ccccc4)c3n2)c(=O)c2ccccc12 100223671 NBLGNVADUPEALW-UHFFFAOYSA-N 399.410 2.869 0 40 GFAB CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8298183 VCIZSLVZNNZCPT-OTWHNJEPSA-N 381.524 2.602 0 40 GFAB biogenic,in-vitro COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cc(C)[nH]c3C)C2=O)cc1 23459540 FZMUSZUTKAYODB-NRFANRHFSA-N 383.448 2.766 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc(F)cc(F)c1 23568184 VXXMHFGUNDDIDJ-CYBMUJFWSA-N 390.386 2.882 0 40 GFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(C)=O)[C@@H]2C1=O 8991451 FMMIIWJTGVIPNO-AUVYPCHSSA-N 389.455 2.808 0 40 GFAB Cc1ccccc1CC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 47533787 SAKRKJBNYVCXNS-UHFFFAOYSA-N 375.513 2.597 0 40 GFAB CC(C)OCCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12597724 HUPBUVOIHCQSFW-UHFFFAOYSA-N 393.509 2.713 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc(C4CC4)cs3)C2=O)cc1 25559287 DBBQDFYGDKYWOF-LJQANCHMSA-N 384.461 2.735 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1 28201823 RHSDMLRZGYZMMA-UHFFFAOYSA-N 398.488 2.528 0 40 GFAB COCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)cn1 58143016 ZFPOAZUNTJOHPE-KRWDZBQOSA-N 375.469 2.617 0 40 GFAB CCOC(Cn1cc(C(=O)N[C@@H]2CCSc3ccccc32)nn1)OCC 58246892 ZWPZMOORUWCKMA-CQSZACIVSA-N 376.482 2.644 0 40 GFAB CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2103787 RTDPOGLPMCJFGU-DZGCQCFKSA-N 375.421 2.855 0 40 GFAB biogenic COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 44999079 MTVGIDRHOJIVBG-BEFAXECRSA-N 380.444 2.699 0 40 GFAB COc1cccc(-c2ccc(=O)n(CC(=O)c3ccc(NC(C)=O)cc3)n2)c1 44920559 LCZAYFMYNDAKBM-UHFFFAOYSA-N 377.400 2.760 0 40 GFAB Cc1cccc([C@@H](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)NC(N)=O)c1 27843504 CUYPCCHBQYPBPI-FXAWDEMLSA-N 380.492 2.737 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCOCC2)cc1OC 12753632 NIELCXKHBKXBQD-GOSISDBHSA-N 388.439 2.646 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1 10648451 GWFQPPYTBLFJTA-UHFFFAOYSA-N 376.815 2.985 0 40 GFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 36393259 ZERRRCSXGVUWBU-ACJLOTCBSA-N 394.447 2.844 0 40 GFAB COc1cc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc(OC)c1O 36354805 LFPHJFZBEGEREW-NSHDSACASA-N 391.449 2.826 0 40 GFAB COc1cc(NC(=O)COC(=O)c2ccc(OC)cc2OC)cc(OC)c1 3394669 MVYOAKJLBMEHJE-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1cccc(OC)c1 48301119 GICSRADQSXQCFK-QUCCMNQESA-N 388.508 2.646 0 40 GFAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 3505356 SZHMDLAVFHWANM-INIZCTEOSA-N 387.480 2.721 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@@H]1CCCN(c2ncccn2)C1 12951668 DZJULIIBDBKVHF-GFCCVEGCSA-N 397.460 2.713 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 12907941 NGQWXMHKAFRVMC-BETUJISGSA-N 389.477 2.791 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NOCc3ccccc3)CC2)cc1 8777721 REAWTPFWEBIXBS-UHFFFAOYSA-N 388.489 2.644 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 13427028 KBCJNDFCYGPYBL-SFHVURJKSA-N 382.416 2.768 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3N3CCCN23)cc1 19167853 ZNHQAQNZJHWOBI-HKBOAZHASA-N 391.471 2.848 0 40 GFAB Cc1sc2ncn(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)c(=O)c2c1C 6111160 JKLOAQDCFDHDHA-NSHDSACASA-N 396.472 2.839 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20488302 YGLPTNVZAPMKGL-SFHVURJKSA-N 387.505 2.695 0 40 GFAB COc1ccc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1OC 5451235 OTQJYYOUFZJJGO-AWEZNQCLSA-N 386.477 2.971 0 40 GFAB CCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 22274279 ZXSHXKKBYJMLBZ-UHFFFAOYSA-N 397.294 2.781 0 40 GFAB COc1cc(CN(CC(=O)NC(=O)NCC(C)C)C2CC2)ccc1OC(F)F 9113276 ULVOBZMEFBRBLG-UHFFFAOYSA-N 399.438 2.743 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)CCC2 6919604 DMYQJUHZWSCPGN-UHFFFAOYSA-N 391.445 2.780 0 40 GFAB Cc1ccc(F)cc1NCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 9252559 UKKJOZXRVGONII-UHFFFAOYSA-N 379.457 2.743 0 40 GFAB COc1ccc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 67260775 QMKTWFIPJMEOIL-UHFFFAOYSA-N 375.384 2.949 0 40 GFAB O=C(COc1ccc(F)c(F)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7401253 JDWPULPODJEXPH-UHFFFAOYSA-N 396.415 2.767 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16022755 AFQMUACIJZXYLA-ZDUSSCGKSA-N 378.881 2.938 0 40 GFAB CCCc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 7713596 BMQXJUJTTAYERM-GFCCVEGCSA-N 386.477 2.578 0 40 GFAB Cc1ccc2c(CC(=O)Nn3cnc4c(cnn4-c4ccccc4)c3=O)coc2c1 8185914 YFHJMSQGXMWDPO-UHFFFAOYSA-N 399.410 2.950 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 16736823 RSQBGDBBELPPOY-UHFFFAOYSA-N 389.433 2.714 0 40 GFAB Cc1nc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c(=O)[nH]1 9834016 XJOMINARMIBAJH-UHFFFAOYSA-N 384.461 2.690 0 40 GFAB Cc1cccc(-c2nnc(S)n2CC(=O)N(CCN(C)C)C2CCCC2)c1 84213199 ADIJCMZQGVSYPA-UHFFFAOYSA-N 387.553 2.875 0 40 GFAB O=C(Cn1nc(Br)nc1Br)NC1CCCCCC1 72311131 WPZWIZKAVHFIQU-UHFFFAOYSA-N 380.084 2.642 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2N2C(=O)CSC2=O)c1 28283984 OZTSQXINHYAZJV-ZIAGYGMSSA-N 382.507 2.588 0 40 GFAB Cc1sc2nc(CN3CCN(c4ccc(Cl)cn4)CC3)[nH]c(=O)c2c1C 89562946 ONEISXBFRCMKJH-UHFFFAOYSA-N 389.912 2.972 0 40 GFAB O=C(C[C@@H]1OCCc2ccsc21)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 89825830 VTXIGTJACBEWJB-MAUKXSAKSA-N 396.472 2.971 0 40 GFAB CCOc1c(F)cccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 89988779 AIYFLKYYPSLETA-CABCVRRESA-N 382.432 2.589 0 40 GFAB Cc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 20673093 OQKYDAGIDXBOTN-OZSKJFCKSA-N 390.487 2.945 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1ccn(-c2ccccc2OC)c(=O)c1=O 67256349 VCMZTMVQQLOFKE-UHFFFAOYSA-N 393.443 2.517 0 40 GFAB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCCCC1 31720739 OKXKXDUQYPFIJE-LJQANCHMSA-N 386.473 2.655 0 40 GFAB CC(C)CNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O 217614267 ROWVGPIBHCNWLU-UHFFFAOYSA-N 376.478 2.974 0 40 GFAB CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1OC 39985642 FEXYXWAHULDPTE-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 72345474 MCKFFKRWSFBKLP-LJQANCHMSA-N 396.491 2.792 0 40 GFAB COc1ccc(-c2noc(Cn3c(=O)n(C(C)C)c(=O)c4ccccc43)n2)cc1 49002812 JTLBNOIGOCTLKG-UHFFFAOYSA-N 392.415 2.851 0 40 GFAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1OCC(=O)N(C)C 223243269 ROLRSAYEHFKJSR-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)c2ccc(Cn3ccccc3=O)o2)cn1 48304006 ONNRATSCTAKBDW-UHFFFAOYSA-N 375.388 2.631 0 40 GFAB Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(c3nsc4ccccc34)CC1)C2 225520445 RNFLOMZLXCZBEL-AWEZNQCLSA-N 381.505 2.782 0 40 GFAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)CCc3ccccc3)ccc2NC1=O 96182219 PBSSGEFYDHDBBY-NRFANRHFSA-N 382.416 2.911 0 40 GFAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96052722 SGRWAZMBCPRAQL-INIZCTEOSA-N 378.476 2.616 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(CN)C(=O)O)cc1 242575071 NQWHGFAYSLADNL-NUJGCVRESA-N 379.865 2.618 0 40 GFAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 253408609 YJEDHPUODRFJFV-AWEZNQCLSA-N 396.422 2.891 0 40 GFAB biogenic,in-vitro Cc1csc(=O)n1CCCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 24869662 XOMOXFJKLXKKLK-INIZCTEOSA-N 387.505 2.876 0 40 GFAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)C4CCC4)C3)ccc2c1N 257273485 NGTXUQYJABDBRZ-FQEVSTJZSA-N 386.521 2.918 0 40 GFAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(C(=O)Nc2ccccc2O)CC1 24983474 NIOYSLHTYHUXMF-INIZCTEOSA-N 386.452 2.756 0 40 GFAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)c1 257243896 IJAQERWYXCUKJQ-OAHLLOKOSA-N 390.509 2.738 0 40 GFAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2cccnc2Cl)C1 257290347 QCOQLTVCRGECST-FQEVSTJZSA-N 387.867 2.912 0 40 GFAB COCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(C(F)(F)F)n1 260732679 ACXHFVUYCYJBDK-JTQLQIEISA-N 377.436 2.665 0 40 GFAB CN(C)c1ccc([C@@H](O)CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 90611837 UCYZXFFDXDYIHJ-FQEVSTJZSA-N 382.439 2.756 0 40 GFAB C[C@@H]1CN(C(=O)c2cncc(-c3cnn(C)c3)c2)c2ccccc2N(C)C1=O 607605191 RFZZUOIINBKVOA-CQSZACIVSA-N 375.432 2.741 0 40 GFAB CCN1CCO[C@@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)[C@@H]1c1ccccc1 617673312 BESYZJDJTAYRIY-ACRUOGEOSA-N 384.451 2.707 0 40 GFAB Cc1c(C(=O)N2CC3(CC[C@@H](CN4CCCC4=O)CO3)C2)oc2ccccc12 575403108 CXPLTBXIIVDVJO-INIZCTEOSA-N 382.460 2.985 0 40 GFAB Cc1cccc(CN2CC[C@H](O)[C@H](O)COCCCCOc3ccccc32)n1 1615160606 JJHOQDPQEMPSMR-LEWJYISDSA-N 386.492 2.698 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 8088229 WBVFDPPSTORUFR-GZTJUZNOSA-N 394.387 2.689 0 40 GFAB COc1cc(CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc(OC)c1OC 12146251 DCZXZUREZXZWAA-QGZVFWFLSA-N 396.443 2.864 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCC[C@H](COc3cccc(OC)c3)C2)c1C 12239468 DCHMKVGXUABZDY-INIZCTEOSA-N 393.509 2.700 0 40 GFAB CC1(C)NC(=O)N(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1=O 19460087 HVEVOLAAGQHOLZ-UHFFFAOYSA-N 392.868 2.656 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529724 MOQSAHOVJOVCIP-RTXPOLOASA-N 392.455 2.767 0 40 GFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)CC1CCCC1)C2 19708869 JOPTVBWWAJLIAU-KRWDZBQOSA-N 399.539 2.709 0 40 GFAB CCN(CC)CC(=O)N1CCC(c2nc3ccc(F)cc3cc2C(N)=O)CC1 12274896 FIRQCRUTEMIGMW-UHFFFAOYSA-N 386.471 2.521 0 40 GFAB O=C(NCc1cccnc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1 13267980 MSPHIAPSHBWUAE-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB CCCn1c(SCC(=O)NCC(=O)OC)nc2ccc(C(F)(F)F)cc21 11021881 JHUPRUBWTBYNCB-UHFFFAOYSA-N 389.399 2.846 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(c3cc(C)nc(C4CC4)n3)C2)n1 1888982167 DHKOSMWVAREZHK-UHFFFAOYSA-N 389.459 2.956 0 40 GFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(N(C)C)nc1 22395294 XTHNTUKQKFWYNH-HNNXBMFYSA-N 376.460 2.987 0 40 GFAB O=C(c1ccc(-c2nnco2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23865253 MBGPGXIULVIVPQ-UHFFFAOYSA-N 390.443 2.630 0 40 GFAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCC(N2C(=O)COC2=O)CC1 245026663 NFKDNBGPPAAEEO-UHFFFAOYSA-N 385.247 2.896 0 40 GFAB Cc1ccc(CNC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)cc1 5168393 VQXMPMNTFCLRPZ-UHFFFAOYSA-N 390.472 2.903 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C(F)(F)F)cc2)n1 7418940 VMPLYJNUDYUKED-UHFFFAOYSA-N 377.326 2.844 0 40 GFAB Cc1c(S(=O)(=O)CCNC(=O)NCc2cccs2)c2ccccc2n1C 8808504 HRTZLFVVQLBLGQ-UHFFFAOYSA-N 391.518 2.821 0 40 GFAB Cc1cc(C)c(NC(=O)C(=O)NCCN2CCO[C@H](c3ccccc3)C2)c(C)c1 16993967 OEBZVKMXHIZWDG-FQEVSTJZSA-N 395.503 2.740 0 40 GFAB O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1ccc(-n2cccn2)cc1 575620473 KKKXJKIJDCHVCJ-HNNXBMFYSA-N 391.518 2.768 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)cc1 5516129 PRFJTSRELYPACA-UHFFFAOYSA-N 382.397 2.533 0 40 GFAB CC(C)c1cc(C(=O)NCCn2nc([C@@H]3CCNC3)c3nccnc32)cs1 19452222 TUWKBCLWCGPKQH-CYBMUJFWSA-N 384.509 2.518 0 40 GFAB CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)cc2O1 8783074 LUTOWACLLUDXIT-SFHVURJKSA-N 390.417 2.830 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@@H]2C)cc1 20167727 GNJKFKNQBYNZNU-RHSMWYFYSA-N 391.468 2.587 0 40 GFAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)cn1 35425208 UQEIMBXZQSORQC-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro C[C@]1(c2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)NC(=O)NC1=O 40117778 KFGDTUDIAYVSRP-QGZVFWFLSA-N 379.750 2.925 0 40 GFAB Cc1c(C)n(Cc2ccccn2)c2ncnc(NCCCN3CCOCC3)c12 20650074 LOQMKPYZGOWHGL-UHFFFAOYSA-N 380.496 2.626 0 40 GFAB CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2cccc(C)c2n1 32510914 JPLGHRDORKNYPB-UHFFFAOYSA-N 394.475 2.862 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)c1 102682531 UNMMMMJFQWOLTJ-GBESFXJTSA-N 397.862 2.884 0 40 GFAB COCCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C 8682074 QERWRYZRDAAQBS-AWEZNQCLSA-N 383.242 2.609 0 40 GFAB CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2cccc(OC)c2)cc1 3297856 MXHDTYUPSZIGQB-UHFFFAOYSA-N 384.461 2.919 0 40 GFAB C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C)[C@@H]4CCCO4)[nH]c(=O)c23)C1 42059541 ZRUUTRZJAPUCOR-BZPMIXESSA-N 389.521 2.726 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 22548976 XFGURXXEZYXUKX-GOSISDBHSA-N 379.420 2.687 0 40 GFAB COc1ccc2c(c1N(CCO)CCO)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]21 6235582 XXRXISZRSUUGHE-MQKZXWNDSA-N 387.520 2.911 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)CSc3ccccc3)nc2c1 7135227 QMJGSFMJQCVKJC-UHFFFAOYSA-N 384.413 2.545 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 8433845 XBQRGWGZEQPKKF-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1ccc(C(C)=O)cc1CN1CCc2cc(S(=O)(=O)N(C)C)ccc21 12515284 WFXOFENJVOOQQH-UHFFFAOYSA-N 388.489 2.711 0 40 GFAB CC(C)c1ccccc1OC[C@H](O)CN1CCC(N(C)c2cccnn2)CC1 107074231 YQCQFNXPAZBABG-LJQANCHMSA-N 384.524 2.941 0 40 GFAB CCOC(=O)C[C@H](NC(=O)COc1ccc(OC)cc1)c1cccc(OC)c1 55536715 GFVJXRZBAPFVMA-IBGZPJMESA-N 387.432 2.893 0 40 GFAB Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 57020767 KYERBKGGWKBYEV-MRXNPFEDSA-N 388.489 2.868 0 40 GFAB COc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 3269117 QZNUZQOQJQEBBK-UHFFFAOYSA-N 385.203 2.958 0 40 GFAB COc1ccccc1COC[C@H](O)CN1CCO[C@H](c2ccc(F)cc2)C1 58167118 DAEYUBBZOKTJJV-CTNGQTDRSA-N 375.440 2.785 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc(Cl)c1 3346461 PHDLZJLSNLDYSS-LJQANCHMSA-N 385.807 2.508 0 40 GFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 24050973 CEVNSWHSMYCYHP-UHFFFAOYSA-N 388.276 2.714 0 40 GFAB Cc1cccc([C@H](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)NC(N)=O)c1 27843513 CUYPCCHBQYPBPI-PXNSSMCTSA-N 380.492 2.737 0 40 GFAB O=C(NO[C@H]1CCCCO1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 58412808 UYNIALWQFUCOSU-SFHVURJKSA-N 380.400 2.671 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1 3318497 LVELNTDVXSZEGE-UHFFFAOYSA-N 382.166 2.624 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 10876749 BCEMUTIXASVXGM-UHFFFAOYSA-N 391.474 2.583 0 40 GFAB C[C@H](OC(=O)COc1ccc2ccc(=O)oc2c1)c1nc2ccccc2c(=O)[nH]1 10990647 VXRMWRVQBFSJJN-LBPRGKRZSA-N 392.367 2.713 0 40 GFAB CCN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1cc(C)ccc1OC 20014815 PSXIJVPYMWNRRE-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)NC(=O)NC1CC1 11343611 RHLWWCJUMUIGPM-OAHLLOKOSA-N 394.475 2.920 0 40 GFAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566092 VMBZJJLLBRBSDM-UHFFFAOYSA-N 382.526 2.760 0 40 GFAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 2627616 JIYWUALOFUJHOY-OAHLLOKOSA-N 375.787 2.581 0 40 GFAB COc1ccc(N2CCN(CCS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 8747262 XZNVPPNZJJYEOS-UHFFFAOYSA-N 388.533 2.908 0 40 GFAB COc1cccc(CN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)c1 4073312 XZEPJMSTCNHNKJ-QHCPKHFHSA-N 389.455 2.819 0 40 GFAB biogenic CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)n2nc(CCCO)nc2N1 4151231 ROBACRFQQVQILY-IBGZPJMESA-N 390.447 2.526 0 40 GFAB O=C(NCc1nc2ccccc2[nH]1)c1ccccc1S(=O)(=O)N1CCCCC1 49936348 DGIRQMUOHRUVMA-UHFFFAOYSA-N 398.488 2.668 0 40 GFAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 6355824 KCBIIRKJFQBHPC-UHFFFAOYSA-N 398.535 2.687 0 40 GFAB COc1cc(CN2Cc3c(-c4ccncc4)nc(N)nc3[C@@H]2C)cc2c1OCO2 65531780 IMSYFSXEGWAITB-LBPRGKRZSA-N 391.431 2.935 0 40 GFAB Cc1cc(Br)c(O)c(C(=O)N2CCN(c3nccs3)CC2)c1 65609086 OGPMXCVEZIZMQD-UHFFFAOYSA-N 382.283 2.882 0 40 GFAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc2c(c1)CCCC2 9193319 KXMWSMZPAMAMJF-UHFFFAOYSA-N 386.521 2.795 0 40 GFAB Cc1cc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)c2c3c(c(=O)oc2c1)CCC3 6664920 BZTTZLVNILZOPQ-UHFFFAOYSA-N 389.411 2.906 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNc1cccc(S(=O)(=O)N(C)C)c1 5934819 MJJYGENADAVXIB-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNC[C@H]2CCCO2)cc1 7813564 AUYHRFDONVSLFR-GOSISDBHSA-N 381.476 2.632 0 40 GFAB O=C(CCc1ccco1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9337062 CYZMARSKUNXIMA-UHFFFAOYSA-N 389.411 2.739 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1cccs1 7990125 VSJSNTOBJAMNFJ-AWEZNQCLSA-N 389.502 2.540 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)c(C)c2)N2CCOCC2)o1 23762110 CHNHTPFUSZWLHN-GOSISDBHSA-N 378.494 2.557 0 40 GFAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc(-c2ccccc2)cc1 8073469 PMEFDHQYHWLNSU-UHFFFAOYSA-N 393.468 2.900 0 40 GFAB COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)ccc2nsnc12 96231311 DRCSACWULDEBKO-LLVKDONJSA-N 381.413 2.933 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 8355299 HZWPRKRHWWGXSR-CQSZACIVSA-N 396.443 2.957 0 40 GFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OC/C=C/c1ccccc1 8391017 MXPXYDFKTGAQMI-JXMROGBWSA-N 384.457 2.762 0 40 GFAB CC1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3nnc(C4CC4)s3)C2)CC1 95392615 OAACEUFXWIDYEY-AWEZNQCLSA-N 377.514 2.918 0 40 GFAB CCCOc1c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cccc1OCC 95430503 BQJGPRDTDXKQOT-INIZCTEOSA-N 384.542 2.635 0 40 GFAB O=C(NCCNc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccco1 95958761 JXYYVQPGOYVSNS-UHFFFAOYSA-N 376.416 2.719 0 40 GFAB COCC1(O)CCN(C(=O)[C@H](C(C)C)n2cnc3cc(F)c(F)cc32)CC1 89775781 XHDHIJHSZLBEIK-KRWDZBQOSA-N 381.423 2.512 0 40 GFAB CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)N(C)C1=S 409032757 NFHOYIBTJWBHNL-XFFZJAGNSA-N 385.283 2.886 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 24575926 LAHHENYNHXABIT-INIZCTEOSA-N 378.350 2.788 0 40 GFAB CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OCC)cc2)cc1 408610178 VDUVEINSESKDMP-AWEZNQCLSA-N 392.477 2.790 0 40 GFAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCCc2sc(Cl)cc21 553829483 YZDVWGRBMNTCRS-GFCCVEGCSA-N 376.869 2.782 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc2c(c1)OCO2 408706095 VEYKANAJBJWWPP-UHFFFAOYSA-N 390.461 2.827 0 40 GFAB O=C(c1cnn2c1CCC2)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 556140371 FOEXOXRKAAZURU-HOTGVXAUSA-N 387.430 2.848 0 40 GFAB O=C(Cc1ccc(NC(=O)N2CC[C@H](C(=O)O)C2)cc1)Nc1ccccc1F 417759177 PRDMSQPENQOQAC-AWEZNQCLSA-N 385.395 2.945 0 40 GFAB O=C(NCCc1ccncc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 79494425 GGNVFDSTTKEOPY-UHFFFAOYSA-N 390.487 2.957 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CCNC(=O)c1ccsc1)c1ccccc1F 32842328 KSKANGZJQAGZDS-QGZVFWFLSA-N 386.452 2.646 0 40 GFAB CC(C)Oc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 219737587 OFNJOCISXRENFM-UHFFFAOYSA-N 388.489 2.621 0 40 GFAB COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 36701563 FKIIGMYGMSPYQL-AGRHKRQWSA-N 393.447 2.954 0 40 GFAB COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)Nc2cccnc2)CC1 565942141 VMJXLYMTJLORCK-UHFFFAOYSA-N 387.440 2.528 0 40 GFAB Cc1ccsc1[C@H](O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 70635848 VLXNHNAZCVUQCW-GFCCVEGCSA-N 388.367 2.743 0 40 GFAB Cc1ccn2c(=O)c(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)cnc2c1 40108617 SNVMWHCEUJTSSS-UHFFFAOYSA-N 396.878 2.614 0 40 GFAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2cccc(I)c2)C1 48482612 KBXWDANGSICLBI-STQMWFEESA-N 386.277 2.999 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)cc1 225723623 WESXTKZUPFPKSD-CQSZACIVSA-N 378.475 2.622 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1Cl 223827209 MKKAPOFHKNJRDE-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 223169563 SBGQEQGXBTXDBA-AWEZNQCLSA-N 390.480 2.958 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)NCCCc2cccc(OC(C)C)c2)CC1 222622071 HNLZLJUKCSYDSR-UHFFFAOYSA-N 396.553 2.584 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(OC)cc1 40312552 NMPMBDOOPZGHME-OAQYLSRUSA-N 379.416 2.633 0 40 GFAB biogenic CCC1(CC)C[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2O1 225613065 JJDNHNMJWZCQJL-KRWDZBQOSA-N 394.537 2.857 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)CN1c1ccc(F)cc1 96238772 FWBYOSHPLAVQDG-LJQANCHMSA-N 392.427 2.783 0 40 GFAB CN(C)C(=O)[C@]12CCCN(C(=O)c3ccccc3)C[C@H]1CN(c1ccccn1)C2 96251247 COPDKEOVEXXJNF-CVDCTZTESA-N 392.503 2.529 0 40 GFAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C[C@H]2CCOC2)CC1 248138940 POVDKCYQDGQFBZ-HGHGUNKESA-N 389.515 2.833 0 40 GFAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257247263 IYEOVXHQCHDUBG-LJQANCHMSA-N 392.450 2.651 0 40 GFAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2cnc(C3CC3)o2)CC1 606445014 IGRXTAPXZZXUCI-UHFFFAOYSA-N 388.468 2.967 0 40 GFAB CCOC(=O)c1cnn(C2CCN(C(=O)Nc3cn(C)nc3C(F)F)CC2)c1 1123455775 CBIWTLZPZBRGNM-UHFFFAOYSA-N 396.398 2.600 0 40 GFAB COc1c(C)cc(S(=O)(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1C 96096506 QXXFVGBWERKJOZ-IBGZPJMESA-N 388.489 2.816 0 40 GFAB Cc1ccc(CN2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)s1 585095292 NQIVVCOLRYPOPE-QGZVFWFLSA-N 375.538 2.985 0 40 GFAB Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cn1 89755170 BWLQHNGXZCKEAF-GOSISDBHSA-N 387.505 2.725 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 5011213 PJPQCLRRPUEWJL-UHFFFAOYSA-N 376.269 2.953 0 40 GFAB COCCc1nnc(NC(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)s1 12327400 CLPCSHHQZOPHJC-NHMRUBIDSA-N 399.472 2.726 0 40 GFAB Cc1nonc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 12494325 LYBXXWFVRUPBFA-UHFFFAOYSA-N 386.393 2.602 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cnc(C(C)C)nc4)C3)ncc2C1 19454068 FJATYRWMMVUPER-GOSISDBHSA-N 394.523 2.674 0 40 GFAB COc1cc(C)c(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)cc1C 19567419 QDMMBAWEOFACFO-UHFFFAOYSA-N 376.478 2.939 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 19572902 IWZCHNXLAKDKNH-PXNSSMCTSA-N 396.539 2.983 0 40 GFAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)COC(C)C)CCO1 19697714 SYGVJNDFYDWBKQ-AWEZNQCLSA-N 376.478 2.586 0 40 GFAB Cc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)cccc1N1CCOCC1 19716340 DVJLUKXJVTWWSN-UHFFFAOYSA-N 394.519 2.621 0 40 GFAB Cc1c(C)n(C)c2ccc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc12 12143492 LOJUBBWOEFABPF-UHFFFAOYSA-N 380.492 2.967 0 40 GFAB O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 12365094 MYWLIPNMQZOVFH-NSHDSACASA-N 389.818 2.930 0 40 GFAB COc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19572118 VTAJIIDAHDVXCC-AWEZNQCLSA-N 383.477 2.677 0 40 GFAB O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(C3CC3)nn2)CC1 575619278 JIYKTVGUBZAOQM-UHFFFAOYSA-N 378.885 2.518 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc(F)cc1 6087366 JTJCXKNBFSJMMQ-JOCHJYFZSA-N 395.434 2.962 0 40 GFAB Cc1nc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)cc(C(F)(F)F)n1 1888860095 ATNGYHCGQXNMGE-UHFFFAOYSA-N 390.316 2.564 0 40 GFAB CCn1cnc2c(N3CCN(c4nc5ccc(F)cc5s4)CC3)ncnc21 1888928871 HOZWAKKMECDRPK-UHFFFAOYSA-N 383.456 2.922 0 40 GFAB NC(=O)NCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 23325467 KJSJRXFSUGGEAS-UHFFFAOYSA-N 378.388 2.953 0 40 GFAB O=c1c2occc2ccn1CCNS(=O)(=O)c1cc(Cl)ccc1Cl 238836339 GUIRSOYOFXKOMS-UHFFFAOYSA-N 387.244 2.880 0 40 GFAB CC(C)N1CCC(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)CC1 2037912888 BNXVNXFEZPIKHR-OAQYLSRUSA-N 378.488 2.678 0 40 GFAB COCC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)/C=C/c3cccs3)C[C@@H]12 1565555780 HGIMXBINPVMUIS-QGWZSZFQSA-N 387.505 2.623 0 40 GFAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)C4CC(F)(F)C4)C[C@H]32)CC1 1565552557 ZOHQXPHAAFJTGD-CJNGLKHVSA-N 376.451 2.856 0 40 GFAB Cc1ccc(Cl)cc1-n1c(=O)cc(N2CCN(c3ccccc3)CC2)[nH]c1=O 4033680 HYZCEHLEVZDFQZ-UHFFFAOYSA-N 396.878 2.814 0 40 GFAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccn(C)c3=O)n2C)c1 23136239 OZOUQUYCXHZLKZ-UHFFFAOYSA-N 383.477 2.528 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38729114 NAAIVVBNRDFEPH-ZWKOTPCHSA-N 382.435 2.679 0 40 GFAB O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)c1ccsc1 42382987 PDZFTIAEQCLBLA-UHFFFAOYSA-N 377.897 2.589 0 40 GFAB O=C(c1c[nH]c2ccccc12)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730818 ZVAVNUWKTJNCRE-UHFFFAOYSA-N 375.354 2.939 0 40 GFAB COc1ccccc1CNC(=O)c1cn(-c2cccc(Br)c2)nn1 40073484 AYZMAEHCDGSSBU-UHFFFAOYSA-N 387.237 2.968 0 40 GFAB O=C(NCCc1c[nH]cn1)c1ccc2c(c1)C(=O)N(C1CCCCCC1)C2=O 31810724 CFRODHWQXOQOAR-UHFFFAOYSA-N 380.448 2.701 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCSCc1ccsc1 101015940 NCSAHPLLTFVQKH-GJZGRUSLSA-N 380.535 2.663 0 40 GFAB O=C(CN1CCOCC1)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1 20573574 ALWVHMVQNZYXTF-UHFFFAOYSA-N 382.391 2.870 0 40 GFAB CC(C)(C)NC(=O)CC1(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CCCC1 32613034 MZUFXLKZZZKWLQ-UHFFFAOYSA-N 395.544 2.931 0 40 GFAB Cn1c(=O)n(C)c2cc(CNc3ccc(N4CCOCC4)c(Cl)c3)ccc21 32616923 XCYYSPGKVXZJDV-UHFFFAOYSA-N 386.883 2.979 0 40 GFAB Cc1nc(SCC(=O)N[C@@H](C)CCc2ccccc2)sc1CC(N)=O 32871314 CJNQAIQAVRBWKG-LBPRGKRZSA-N 377.535 2.709 0 40 GFAB C[C@@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)N(C)c1ccccc1 32910887 DJQRSQAXNKNOMK-CQSZACIVSA-N 380.400 2.548 0 40 GFAB COC(=O)c1ccc(CCNC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 32900537 TUUNAYJQLLMKBK-UHFFFAOYSA-N 382.338 2.782 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(OC(F)(F)Cl)cc1 1085865 BLNHXOBCLFJHSB-UHFFFAOYSA-N 395.753 2.848 0 40 GFAB COc1ccc(C(=O)N2CCOC23CCN(c2ccc(Cl)nn2)CC3)cc1 1396790 ZXBUBFWRMJGGQJ-UHFFFAOYSA-N 388.855 2.608 0 40 GFAB CCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 2179249 QURXJQKPHHXGLH-UHFFFAOYSA-N 390.505 2.733 0 40 GFAB COCCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 2231371 DWFGSQMNDZHQJA-NSHDSACASA-N 387.509 2.866 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3325548 YJFZCMPVKHDDFW-AWEZNQCLSA-N 392.506 2.597 0 40 GFAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccc2c(c1)OCO2 3426634 RVFTWVUUFJSMQG-UHFFFAOYSA-N 380.381 2.995 0 40 GFAB CCOC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 4108120 DLDLGUGNVLOJMN-LBPRGKRZSA-N 376.503 2.984 0 40 GFAB CC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 4184091 PKWBVJMEOIWQRL-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C(C)C 4370465 UDSNHULXBSGFQY-UHFFFAOYSA-N 385.855 2.740 0 40 GFAB COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc(C)c1C 4570499 WJQBUCQUSAJILB-UHFFFAOYSA-N 385.438 2.703 0 40 GFAB COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1 4738666 JFKLCPUHIHTSTB-LJQANCHMSA-N 397.475 2.968 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3c(OC)cccc3OC)n2)cc1OC 4943743 RWUJSOWBTFWIGX-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3ccc(OC(C)=O)cc3)n2)cc1OC 4943901 SMGGBYDNRPAPTL-UHFFFAOYSA-N 397.387 2.609 0 40 GFAB CCOC(=O)C1=C(C)Oc2ncn3nc(C)nc3c2[C@@H]1c1ccc(OC)cc1 5349203 SUAHIJUFUCEEFG-MRXNPFEDSA-N 380.404 2.803 0 40 GFAB CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H]1C(=O)N(C)C(=O)[C@@]12Cl 5712203 HJLALHCILCKSMC-IDPBPBMLSA-N 381.815 2.815 0 40 GFAB CSCC[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2[nH]1 5988190 ATCISZSRWCMZPO-KRWDZBQOSA-N 393.476 2.763 0 40 GFAB COc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)coc2c1 6156574 VFPKMRZZRVIFMP-LBPRGKRZSA-N 396.399 2.653 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2ncccn2)c1 6205252 HSIRLCLNFOXSRS-UHFFFAOYSA-N 394.522 2.546 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(Cl)cc1 6789926 UIESVBCMUALKON-INIZCTEOSA-N 395.912 2.785 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C)CCC(C)C)cc1S(=O)(=O)N1CCOCC1 6934349 SHXDFOIWLXUOSX-INIZCTEOSA-N 382.526 2.570 0 40 GFAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 6941401 VUDNFTBNVHXNDK-FZMZJTMJSA-N 375.450 2.537 0 40 GFAB CCOc1cc2c(cc1CNC(=O)CSc1nnc(NC)s1)O[C@H](C)C2 7383223 RTZQAXCJTIEQRY-SNVBAGLBSA-N 394.522 2.710 0 40 GFAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCC(Cc2ccccc2)CC1 7719186 LILJYNUVZOTIKM-UHFFFAOYSA-N 379.439 2.961 0 40 GFAB Cn1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc(=O)[nH]c1=O 7813543 UNBBMTDFUWPBPJ-UHFFFAOYSA-N 390.374 2.680 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 7959715 ADOXRUVXNGWULW-UHFFFAOYSA-N 392.525 2.587 0 40 GFAB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1C 8152772 NICFUTUVBQICRK-UHFFFAOYSA-N 396.491 2.514 0 40 GFAB Cc1cc(C)n(-c2ccc(SCc3cc(=O)n4c(C)csc4n3)nn2)n1 8753331 NIMIYAUHYDCMCW-UHFFFAOYSA-N 384.490 2.949 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OC 9038946 JSJONDURYHQNDQ-INIZCTEOSA-N 383.448 2.556 0 40 GFAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-n2cnnn2)cc1 9481702 INKHHPOLRMDNCZ-UHFFFAOYSA-N 386.415 2.526 0 40 GFAB COc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)cc1OC 10273061 YQBVKXMRPCIEDW-UHFFFAOYSA-N 382.355 2.723 0 40 GFAB O=C(c1ccc2ccccc2n1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375228 RTANKRDRYJNSIZ-UHFFFAOYSA-N 395.484 2.818 0 40 GFAB O=CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 12321435 LAPMKVQYFDJCJO-OAQYLSRUSA-N 393.443 2.647 0 40 GFAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(C)=O 12389057 AQUMJCAAYQNOPB-UHFFFAOYSA-N 380.466 2.551 0 40 GFAB COc1ccc(Cl)cc1NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 12621508 KZKDZPQYQHSBBY-UHFFFAOYSA-N 391.811 2.880 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12849287 JQTXAUNNMBZIQS-SFHVURJKSA-N 398.434 2.634 0 40 GFAB COc1ccc(NC(=O)Cn2cnc(-c3ccc(F)cc3)cc2=O)c(OC)c1 13808038 DPGPTISSWJOTOP-UHFFFAOYSA-N 383.379 2.705 0 40 GFAB COc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 14188227 KNEVESQPFLNWSH-UHFFFAOYSA-N 382.416 2.915 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)c2nn(-c3ccc(C)cc3C)nc2C)cc1 14247329 QAVHPPRKBXSZOG-UHFFFAOYSA-N 391.475 2.824 0 40 GFAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCc3ccccc3C2)no1 15673435 AFDLROFNNXTJAU-HKUYNNGSSA-N 383.492 2.564 0 40 GFAB biogenic,in-vitro COc1ccccc1CN1CC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 19021852 UTDKEJCSVPMTBZ-SFHVURJKSA-N 393.491 2.566 0 40 GFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)cn1 19525088 QNEVVOIMFMSBFT-VAMGGRTRSA-N 388.537 2.592 0 40 GFAB COc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cnn(C)c1C 19553817 FIUXIRHYQUGMOV-UHFFFAOYSA-N 386.477 2.523 0 40 GFAB COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC(CCN(C)C)CC2)CC1=O 19664908 MJYKRKLKLSPVKW-SFHVURJKSA-N 387.524 2.547 0 40 GFAB Cc1cc(N2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc(C)n1 19759394 MEEVJMUMOCTRML-FQEVSTJZSA-N 391.475 2.921 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)ccc1OC 20111012 YBGCEIFEFRWTEA-SFHVURJKSA-N 388.489 2.801 0 40 GFAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@H]2CCCO2)CC1 22788435 OJMOSZFVTMGEMY-WMLDXEAASA-N 385.430 2.829 0 40 GFAB O=C(c1ccc[n+]([O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 23188158 XLMOLTCYTWITMH-UHFFFAOYSA-N 379.382 2.687 0 40 GFAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccc(NC(N)=O)cc1 23590470 SLOFWKCSWZSWEZ-SNVBAGLBSA-N 387.358 2.523 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 28209497 UYBTXVWTGUGAFE-MRXNPFEDSA-N 392.864 2.967 0 40 GFAB CCN(CS(=O)(=O)c1ccc(C)cc1)CS(=O)(=O)c1ccc(C)cc1 31302890 QUVOXOIEHSGNAH-UHFFFAOYSA-N 381.519 2.788 0 40 GFAB Cc1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 32865090 ONDCPOCLTDLZSG-CQSZACIVSA-N 381.523 2.991 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)NC[C@H](c3cccs3)N(C)C)CC2=O)cc1 35982377 XSSZHBNMOCMNLT-QZTJIDSGSA-N 385.533 2.824 0 40 GFAB CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)c1C 36619259 CLLIYEXPOXCYMS-UHFFFAOYSA-N 393.426 2.727 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCCCC1 36781763 JCHMVFKCWAWWEQ-UHFFFAOYSA-N 384.480 2.870 0 40 GFAB CC(C)(C)c1noc(CCC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)n1 41837710 CHAIABBZKLPNAJ-UHFFFAOYSA-N 378.816 2.923 0 40 GFAB O=C(/C=C/c1ccccc1Cl)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268537 OVZLBNIXIFPNTP-VMPITWQZSA-N 379.821 2.630 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)Cn3ccc4ccccc43)n2)cc1 44227374 CIJDCCIMUWARBA-UHFFFAOYSA-N 392.415 2.928 0 40 GFAB O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC2(CC1)OCCO2 46812569 BPGJAWLUTONTJI-CQSZACIVSA-N 399.413 2.682 0 40 GFAB CC(=O)N1CCC(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 48262092 WWQKBKGGNLVFDM-UHFFFAOYSA-N 386.492 2.644 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 49433789 ICZAUKZIJMJDDN-UHFFFAOYSA-N 390.440 2.861 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CCN2CCCC[C@H]12 69208380 IWNPOKCRHAQPAA-GDIGMMSISA-N 378.467 2.717 0 40 GFAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 69441972 PQFKLPAQZCTHBD-UHFFFAOYSA-N 397.454 2.707 0 40 GFAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1nnc(C2CCCCC2)s1 71285130 YVXDRZIYSVYHPW-UHFFFAOYSA-N 391.522 2.571 0 40 GFAB CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1 72295293 XLQXHNFFHNIVEF-SFHVURJKSA-N 397.456 2.863 0 40 GFAB Cc1cc(Nc2cc([C@H]3CCCN3C(=O)C3(N)CCCCC3)nc(C)n2)[nH]n1 72360848 DRZVAMVFUMSNKQ-MRXNPFEDSA-N 383.500 2.885 0 40 GFAB Cc1noc(C)c1Cc1nnc2sc(-c3n[nH]cc3Br)nn12 72405511 HZQNKZXOSDJXCT-UHFFFAOYSA-N 380.231 2.534 0 40 GFAB CCc1ccc([C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C(C)C)cc1 79023718 XXGKSJLPNJQHEN-SFHVURJKSA-N 392.463 2.677 0 40 GFAB CCc1c[nH]nc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 83820246 VADVHZSDNMDUIJ-UHFFFAOYSA-N 376.482 2.707 0 40 GFAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1CCN(c2cnccn2)CC1 84392782 KYDJRYBKSASMSG-ICSRJNTNSA-N 384.455 2.869 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)c2)n1 95367856 YNXQYKPVFMJEQD-BFUOFWGJSA-N 377.400 2.912 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cnn(C)c1C 95998460 QAVLUTNKUYAERK-HXUWFJFHSA-N 393.491 2.804 0 40 GFAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)Nc1cccs1 96096664 LEVOXTXSBFEYFP-UHFFFAOYSA-N 375.479 2.991 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 101227395 ZZTMQFYXUCRZOR-KODHJQJWSA-N 395.436 2.766 0 40 GFAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4cc(OC)cc(OC)c4)[C@H]3C2=O)cc1 101260531 JMQMQHGWAQCANR-ZWKOTPCHSA-N 380.404 2.764 0 40 GFAB COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(C)cc2)c1 101309884 XYGKUGZWLMVTJR-HSALFYBXSA-N 377.444 2.539 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4cccc(C)c4)[C@H]3C2=O)cc1OC 101418194 JXQMVERQSGIIMI-QZTJIDSGSA-N 380.404 2.506 0 40 GFAB COc1ccc2c(B(O)OC(C)(C)C(C)(C)O)cn(C(=O)OC(C)(C)C)c2c1 200336267 SUDWXCYQRPPTAQ-UHFFFAOYSA-N 391.273 2.687 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218112327 VMLXYKQNDWKYQR-CMKODMSKSA-N 390.457 2.661 0 40 GFAB COc1ccccc1OCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC 223451430 DWLWKYNOARMUFE-ZRDIBKRKSA-N 387.432 2.929 0 40 GFAB O=C(Cc1noc2ccccc12)NCc1nnc2ccc(-c3cccs3)nn12 225763210 UCVONNUUPTURSD-UHFFFAOYSA-N 390.428 2.853 0 40 GFAB O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)c1cccc3ccccc13)C2 225779138 PSKHOVJKIUMHEI-UHFFFAOYSA-N 391.452 2.595 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 244986154 JIGUXRNIFNRTSD-UHFFFAOYSA-N 375.812 2.644 0 40 GFAB c1cc(N2CCOCC2)n2cc([C@@H]3CN(CC4CC4)CCN3CC3CC3)nc2c1 306131311 KBHFIFMFOVFVII-NRFANRHFSA-N 395.551 2.650 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408547867 OCDBFOPZQRJXEN-INIZCTEOSA-N 390.505 2.783 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408589325 GZMFCFVCWJKUFQ-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408659418 SINBOCQGHUNLHL-INIZCTEOSA-N 396.443 2.847 0 40 GFAB Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCc2nc(C(C)(C)C)ncc2C1 530151920 QNPUBEISJOXWNQ-UHFFFAOYSA-N 389.477 2.528 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncc3Cl)C2)cc1 575608682 ZWNGLGVGOMSOHC-AWEZNQCLSA-N 395.868 2.535 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](OCCO)c2cccs2)cc1Cl 575621678 QUBMREYMCVYUFU-CQSZACIVSA-N 382.869 2.515 0 40 GFAB N[C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 582229152 MPBSOWSHDHSZLE-AZUAARDMSA-N 386.496 2.564 0 40 GFAB O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 583547798 FQAUCQDWXMTYBP-HXUWFJFHSA-N 394.512 2.759 0 40 GFAB Cc1c(C(=O)N2CCC[C@H]2c2cc[nH]n2)nnn1CCOc1ccc(F)cc1 585082054 VXZQICNEGCHPDJ-KRWDZBQOSA-N 384.415 2.505 0 40 GFAB COc1ccccc1NC(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440805 GDMZNMYSPXYICR-GFCCVEGCSA-N 393.241 2.933 0 40 GFAB COC(=O)Cc1csc(NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)n1 610366890 UTLUVSHXZPXROH-MRXNPFEDSA-N 388.493 2.597 0 40 GFAB NC[C@H]1CCCC[C@H]1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 638268769 PTCAQCXJAYNCSD-SJLPKXTDSA-N 392.931 2.715 0 40 GFAB CC1(CC(F)F)CN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 645360210 VCKYSKXPNQGPHN-MRXNPFEDSA-N 379.451 2.907 0 40 GFAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@@H](OC4CCC4)C3)nn2)cc1 654483126 LTVDVOMEVLDDGL-LJQANCHMSA-N 385.468 2.519 0 40 GFAB CC(C)O[C@]1(CS(=O)(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CCOC1 659891689 INQBJEDYJVSTBG-RTBURBONSA-N 385.501 2.747 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@]3(O)CCCc4occc43)cc2)co1 1565523642 SUAGBCNIRQLKDV-IBGZPJMESA-N 388.445 2.745 0 40 GFAB Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(C(C)C)C[C@@H]2c1ccccc1 1565541866 GBDRMURGYFBMTR-GCJKJVERSA-N 397.475 2.537 0 40 GFAB CC(C)(C)c1ccc(N2CCN(c3ncc(Br)cn3)CC2)nn1 1775974036 VQJYWFHRCOBLBQ-UHFFFAOYSA-N 377.290 2.653 0 40 GFAB Cc1c(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)cnn1C 2037844294 SCUSMQKAICDHBZ-PZJWPPBQSA-N 396.535 2.841 0 40 GFAB CSc1nc(C)cc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)n1 2086854503 JYICUKHICCBHBN-UHFFFAOYSA-N 383.399 2.774 0 40 GFAB Cn1cc(-c2cncc(N3CCN(c4ccc(C(F)(F)F)nc4)CC3)n2)cn1 2298075468 GJMRDQFWWOUALR-UHFFFAOYSA-N 389.385 2.618 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 801331 YIWZVKDICYFQPL-SFHVURJKSA-N 390.436 2.820 0 40 GFAB Cc1ccc(N2C(=S)N(c3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1018775 HVCDMSFKDOPKMG-IRXDYDNUSA-N 376.478 2.911 0 40 GFAB Cc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2ccc3c(c2)OCO3)cc1 1897445 ODJQMJRKQSIZRG-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB Cc1c(CCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(=O)oc2cc(O)ccc12 2109222 DOXLFTXIBWNBEV-IVZQSRNASA-N 385.460 2.893 0 40 GFAB biogenic Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)c(C)c1 2230762 RYVFXXUJONFDDV-BURNTYAHSA-N 399.450 2.900 0 40 GFAB COc1ccc(CO[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 4029364 GXPXLUBGFRVNPV-UYTYNIKBSA-N 380.437 2.608 0 40 GFAB biogenic COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)c1 4328544 YAUICKAUEUGINT-UHFFFAOYSA-N 394.478 2.635 0 40 GFAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)NCCC1=CCCCC1 4486717 ZFWNEANSIPKBCU-AWEZNQCLSA-N 394.493 2.610 0 40 GFAB COCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccoc1C 4860695 NGNPIYNYFGPUKH-UHFFFAOYSA-N 393.494 2.989 0 40 GFAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c1 4940443 BCIHIPMVHLDOCA-UHFFFAOYSA-N 395.806 2.537 0 40 GFAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 5205449 DUBZXSIMBRGMDA-UHFFFAOYSA-N 380.404 2.719 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2 5242018 KHBFSGSRKCOMRW-KBXCAEBGSA-N 388.464 2.502 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)c(OC)c1 5257238 UTOOASKMGGLWOY-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1 5482722 PNCLYABWWLHOBU-IBGZPJMESA-N 391.475 2.907 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCCC2 5573653 MWJYBEWTENSFNI-UHFFFAOYSA-N 387.457 2.977 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O 6050551 GNJJXJSTJWWLGK-UHFFFAOYSA-N 381.379 2.727 0 40 GFAB CC(C)=CCOc1ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1C 6624033 PPPNOJXLJMYITH-AWEZNQCLSA-N 387.432 2.887 0 40 GFAB biogenic CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H]1c1cccs1)C2=O 6654206 SQUNSNLTXSXPRX-BIWSTMPVSA-N 375.494 2.912 0 40 GFAB Cn1c(=O)c2c(nc(Cl)n2CCSc2ccc(Cl)cc2)n(C)c1=O 6986725 CEIIPTFZTYLOND-UHFFFAOYSA-N 385.276 2.533 0 40 GFAB COc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1Cl 7138701 AHTMJSQHYNYVED-UHFFFAOYSA-N 386.791 2.554 0 40 GFAB CNc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 7363373 SNNMGGJTKJKOIO-UHFFFAOYSA-N 390.417 2.653 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 9173357 QLVYWUUHDZZBJH-UHFFFAOYSA-N 376.434 2.853 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377780 LBTJAIHWPDIMLS-CZUORRHYSA-N 397.504 2.896 0 40 GFAB CN(C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 10111458 LYSHYPNBFSMPMK-UHFFFAOYSA-N 395.912 2.822 0 40 GFAB CCOc1ccc(Nc2ncccc2C(=O)Nc2nc(CC(N)=O)cs2)cc1 10377483 AFKCWZHCNNSULO-UHFFFAOYSA-N 397.460 2.961 0 40 GFAB CCCn1c(S[C@H](C)C(=O)NC(=O)NC)nnc1-c1ccc(Cl)cc1 11421870 YKWKEGOOZQFWQP-SNVBAGLBSA-N 381.889 2.945 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)Nc2ccccc21 12117931 RISJWZFOBCHBHD-XLIONFOSSA-N 396.535 2.815 0 40 GFAB CO[C@H]1CCC[C@H](C(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)C1 12129251 WAQDVENUOOBVEG-RDJZCZTQSA-N 385.464 2.872 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)Nc3cccc4c3CCCC4)n2)o1 12182830 YTOXPTRSYJAERI-UHFFFAOYSA-N 378.432 2.911 0 40 GFAB COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 12946063 SFTRJWKXGNBWCN-OAQYLSRUSA-N 382.416 2.867 0 40 GFAB Cn1c(COc2ccccc2)nnc1SCC(=O)NCCc1ccccc1 14087684 IAGOYOLVZGMCHZ-UHFFFAOYSA-N 382.489 2.845 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)c2ccccc2Br)c2ccccc2O1 14183051 UBBCTVBURDTNPL-HNNXBMFYSA-N 375.222 2.603 0 40 GFAB NC(=O)c1ccc(COC(=O)COc2ccc(Br)cc2F)cc1 16815908 KNSPDPPXUMEFIY-UHFFFAOYSA-N 382.185 2.809 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 17521562 JPFCFEXSVSLYTH-GOSISDBHSA-N 399.472 2.665 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccn(C)n1 19017525 FEVOMLBJDRYHOF-TYPHKJRUSA-N 380.492 2.819 0 40 GFAB COCCCN(Cc1ccc2c(c1)C[C@H](C)O2)C(=O)c1ccc(C)n(C)c1=O 19131532 VTBWQJQBSNWFQV-INIZCTEOSA-N 384.476 2.696 0 40 GFAB COc1ccc2c(c1)C[C@H]([C@H]1CCCCN1C(=O)Cc1ccccn1)C(=O)N2 19562315 GYYNNNVJHBJHOE-UYAOXDASSA-N 379.460 2.825 0 40 GFAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)c3csc(C)c3)c3ncccc23)C1 19572005 XBUDPHGSRXCUQS-OAHLLOKOSA-N 397.504 2.567 0 40 GFAB CC(C)S(=O)(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 19574964 JRQILJIVSYUQED-NQBHXWOUSA-N 380.436 2.718 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 20016325 MDVAYHPCBZXDRD-LLVKDONJSA-N 384.404 2.669 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC 20460408 FHIVEFZTIZZZHT-GFCCVEGCSA-N 378.450 2.566 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H](C)O[C@H](C)C1 20925610 JYQRAOVQVWWAHK-ZENOOKHLSA-N 384.929 2.827 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc[nH]2)cs1 22468869 RETOFYLALCCCIP-UHFFFAOYSA-N 387.465 2.722 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)Cn2nc(-c3cccs3)oc2=O)cc1 23007484 MTQKUASKPKIBJR-OAHLLOKOSA-N 385.445 2.937 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(-c3cccs3)on2)c1 23435423 TZEXPHQQVCVZRW-UHFFFAOYSA-N 393.490 2.644 0 40 GFAB Cc1nnc(COC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)o1 24201026 JPZDFOXHYKHQCQ-UHFFFAOYSA-N 376.372 2.743 0 40 GFAB COC(=O)c1n[nH]c2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)cc12 25015862 GWWSIYWDSVQTHW-UHFFFAOYSA-N 391.387 2.971 0 40 GFAB COc1ccccc1[C@@H](C)N(C)CC(=O)Nc1cccc(S(C)(=O)=O)c1 26334379 JFCUFNVMJJRXGN-CQSZACIVSA-N 376.478 2.730 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN(C)C)c1 27960461 LAKFURNCKUCWDY-UHFFFAOYSA-N 396.896 2.667 0 40 GFAB CC(C)CN1C[C@@H](C(=O)Nc2nc(CN3CCC(C)CC3)cs2)CC1=O 29781789 JYCKHFPJTMDBDG-HNNXBMFYSA-N 378.542 2.818 0 40 GFAB Cc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)c(C)n1Cc1ccccn1 30586984 NDFIGXZDESUQEW-UHFFFAOYSA-N 387.447 2.991 0 40 GFAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 31179374 LTHXKUVLVUXPRD-GOSISDBHSA-N 392.452 2.801 0 40 GFAB O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(N2CCOCC2)nc1 32403909 VLRIECKIHCTGNI-HUUCEWRRSA-N 387.402 2.538 0 40 GFAB COc1ccccc1[C@H](CNC(=O)[C@H]1COc2ccccc2O1)N1CCCC1 33028215 RLWLGKXRQRMDJF-LAUBAEHRSA-N 382.460 2.788 0 40 GFAB C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cn1 39990572 KKTCGPPUXWMXKE-HNNXBMFYSA-N 380.920 2.687 0 40 GFAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 40135670 GDZCHKACRYFYAN-UHFFFAOYSA-N 385.439 2.601 0 40 GFAB COCc1nn2c(=O)cc(COC(=O)C34CC5CC(CC(C5)C3)C4)nc2s1 41077300 HUHQUIYLIYJFSP-UHFFFAOYSA-N 389.477 2.557 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(C)Cc1ccc2c(c1)OCO2 43831624 QBNHCEODEOLTMH-UHFFFAOYSA-N 376.434 2.791 0 40 GFAB COc1ccc(CN2CCN(c3ncnc4ccccc34)CC2)c(OC)c1OC 52721031 BANXAFKNSBAQIB-UHFFFAOYSA-N 394.475 2.978 0 40 GFAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670319 IHMHLQQTDROYTA-RBUKOAKNSA-N 388.491 2.655 0 40 GFAB CCN(C)Cc1cccc(CNC(=O)CCc2nc(-c3cccnc3)no2)c1 58178495 KSLFOZYIOHEGCX-UHFFFAOYSA-N 379.464 2.832 0 40 GFAB C[C@H](OC(=O)c1ccc(N2CCOCC2)cc1)c1nc2ccccc2c(=O)[nH]1 58386692 NRVNTFYWZUHMAG-AWEZNQCLSA-N 379.416 2.678 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ncccn2)n1 61969152 LQVSUJCWZFTNIR-GFCCVEGCSA-N 379.445 2.706 0 40 GFAB CCCN1CCc2nc(SCC(=O)Nc3cc(F)ccc3F)nc(O)c2C1 67291823 VJRVNSAEVKZWMQ-UHFFFAOYSA-N 394.447 2.959 0 40 GFAB C[C@@H]1CN(CCNCc2cc(Br)c3c(c2)OCCCO3)C[C@@H](C)O1 67439757 ISVWAHWLYNTMPS-ZIAGYGMSSA-N 399.329 2.809 0 40 GFAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c1 68489561 MZHFTNASZPOXBX-AWEZNQCLSA-N 394.435 2.562 0 40 GFAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641579 BXOPLWJKYXRQBS-KRWDZBQOSA-N 394.456 2.571 0 40 GFAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 70775048 OBPQAWPLKNDXOA-UHFFFAOYSA-N 382.445 2.800 0 40 GFAB CCC12CN3CC(CC)(CN(C1)C3c1cc3ccc(OC)cc3[nH]c1=O)C2=O 79189639 YIVQHYBLGXGMNC-UHFFFAOYSA-N 381.476 2.542 0 40 GFAB biogenic O=C(CCn1cnc2ccccc2c1=O)OCCN1CCCc2ccccc21 84581964 RMVKBRZDNPRONQ-UHFFFAOYSA-N 377.444 2.783 0 40 GFAB CC(C)(C)C(=O)NCCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O 95425465 JQPSQPIZZKBZJI-GOSISDBHSA-N 384.476 2.752 0 40 GFAB O=C(O)c1cnn([C@H]2CCCN(C(=O)c3ccn(-c4cccc(Cl)c4)n3)C2)c1 95453981 YOVMAIVMJBTDFK-INIZCTEOSA-N 399.838 2.898 0 40 GFAB CCOCCOc1ccc(S(=O)(=O)N2CC=C(c3cccnc3)CC2)cc1 95469246 SKFXHEUNEMGFLI-UHFFFAOYSA-N 388.489 2.975 0 40 GFAB COc1ccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(OC)c1OC 96096460 RRHOLUPWRQPQND-QGZVFWFLSA-N 384.432 2.668 0 40 GFAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1 96268367 PGHWXWOYMBGRDE-FKBYEOEOSA-N 386.455 2.919 0 40 GFAB CCCc1cc2c(cc1NC(=O)[C@H](C)N1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)OCO2 100774849 WNCMUSLFDLBVFA-WTPVCQSKSA-N 396.443 2.502 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]32)cc1 101169351 YTNTXHKIGHUMTN-OALUTQOASA-N 391.431 2.544 0 40 GFAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1[C@H]1CCS(=O)(=O)C1 102718851 GDOYYKDXIFIXKT-LBPRGKRZSA-N 375.475 2.559 0 40 GFAB COc1ccc(-n2nnnc2/C=C\Nc2cc(OC)c(OC)cc2C(C)=O)cc1 104866738 DWGFRUNBWNHLFF-KTKRTIGZSA-N 395.419 2.974 0 40 GFAB Cc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 113943437 MFPAMOXIVCVZMR-UHFFFAOYSA-N 390.461 2.909 0 40 GFAB C[C@H](O)CNC(=O)c1cccc(OCc2ccn(-c3c(F)cccc3F)n2)c1 154368554 FALLWHXFJBCDPC-ZDUSSCGKSA-N 387.386 2.840 0 40 GFAB Cc1cn2nc(C(=O)NCc3ccc(F)cc3)cc2c(N2CCSCC2)n1 169768823 DLNREDRRPHIVDR-UHFFFAOYSA-N 385.468 2.660 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1F 211113313 QQSUWXLHMCVECV-LJQANCHMSA-N 391.420 2.685 0 40 GFAB COc1ccc(OCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 223451766 ZATLKJKEZSUEMP-WUXMJOGZSA-N 387.432 2.929 0 40 GFAB CN(C)c1cnnc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 224308363 DCSAHWVJGNHVSJ-UHFFFAOYSA-N 379.386 2.524 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 257258243 KSYHVBQTDBBWGW-HKUYNNGSSA-N 378.856 2.918 0 40 GFAB CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CCCNc3ncccn3)CC[C@H]21 257274043 NJIAONKLSBAEII-VAMGGRTRSA-N 379.508 2.615 0 40 GFAB CC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 257290475 QDCKEISRNPOCGV-GOSISDBHSA-N 378.476 2.643 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(CO)cc2)[C@@H]1c1ccc(OC)cc1 257307383 SYKBGLGRFQFUQA-IRLDBZIGSA-N 396.487 2.804 0 40 GFAB CCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccccc1F 408556184 CMLLHZDJIQJNJM-UHFFFAOYSA-N 378.425 2.917 0 40 GFAB CSc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)c1 408619519 IGJFHPQKUCXUHU-UHFFFAOYSA-N 382.482 2.948 0 40 GFAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)NCCCCCC(=O)O)cc3)C(=O)[C@@H]2C1 408680942 IOVRTTNFMFXQQT-QZTJIDSGSA-N 398.459 2.907 0 40 GFAB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc4c(c3)OCO4)o2)cc1OC 408713938 DDODDBSJLOJMLU-UHFFFAOYSA-N 397.387 2.755 0 40 GFAB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)NC1=S 409082824 UAJUVPJXECQPOQ-WDZFZDKYSA-N 385.283 2.934 0 40 GFAB CS(=O)(=O)c1csc(C(=O)N2CCNC[C@@H]2c2ccccc2Cl)c1 564721652 AJEXYLMKBRQRQB-CQSZACIVSA-N 384.910 2.592 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccsc2)c2cccs2)CC1 575415068 YNEYEMDMNGUYKH-HNNXBMFYSA-N 384.548 2.687 0 40 GFAB O=C(C1=Cc2ccccc2OC1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575617816 RIBFUDVNNQTWFK-HXUWFJFHSA-N 383.469 2.851 0 40 GFAB O=C(Cc1ccccc1)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 585102209 POMNAOJWXQAGHG-UHFFFAOYSA-N 384.520 2.887 0 40 GFAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2cccc(C(C)(F)F)c2)C1 585123618 NFBFTGUWJBFRGI-GFCCVEGCSA-N 375.441 2.591 0 40 GFAB CC(C)(C)c1cc(C(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)[nH]n1 585612699 MZWRAPXTJBABHI-HUUCEWRRSA-N 380.496 2.583 0 40 GFAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNc2nc(Cl)nc3c2CCCC3(C)C)C1 1551202949 RQQFTNJXBYTCTP-OUCADQQQSA-N 390.919 2.839 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc2ccccc2c(=O)s1 1565520146 NJVKPSRGDXZRLX-QGZVFWFLSA-N 378.453 2.575 0 40 GFAB biogenic COc1ccc(C)cc1S(=O)(=O)N1CCC(COc2ccc(C)nn2)CC1 1775969334 LYEMERYOCRATFG-UHFFFAOYSA-N 391.493 2.582 0 40 GFAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 1345714 ZSOGQADBPQEMDC-UHFFFAOYSA-N 386.517 2.587 0 40 GFAB Cc1sc2nc([C@@H](C)OC(=O)c3ccc4c(c3)OCC(=O)N4)[nH]c(=O)c2c1C 22260756 SLOBOOBLUNIPKB-SECBINFHSA-N 399.428 2.850 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)C(O)(c1ccccc1)c1ccccc1 2657543 VHUSMHMRYCMLLX-UHFFFAOYSA-N 392.436 2.735 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCC1 6746766 DJYKBYCMIDUIAN-HDMKZQKVSA-N 392.521 2.788 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(F)cc3F)CC2)cc1 23041094 BCRAVGZZSVWQMV-UHFFFAOYSA-N 394.443 2.810 0 40 GFAB COC(=O)c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 938511 RYOCHOXCNJSTSY-UHFFFAOYSA-N 384.819 2.947 0 40 GFAB O=C(c1ccc(Br)o1)N1CCN(CCOc2ccccc2)CC1 23675142 RJMFJVUQLBZKML-UHFFFAOYSA-N 379.254 2.879 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1F 24050276 JQFLRVKUAFJWNL-UHFFFAOYSA-N 394.450 2.978 0 40 GFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)Cn1cccn1 24804604 IBRVBMXPVDTVDQ-AWEZNQCLSA-N 376.464 2.833 0 40 GFAB Cn1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1 84318739 CMUHBXGMOGYSRO-KRWDZBQOSA-N 389.456 2.865 0 40 GFAB COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cn1 12607210 LQYZYPSTAKXOIZ-UHFFFAOYSA-N 393.440 2.656 0 40 GFAB CC(C)(C)OC(=O)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 26912137 VHSSZNZSUPSTEJ-UHFFFAOYSA-N 387.480 2.616 0 40 GFAB C[C@]1(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CCS(=O)(=O)C1 57817563 IEENDGKRHLXCDX-INIZCTEOSA-N 384.910 2.699 0 40 GFAB COc1ccccc1N(CCCC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 113968175 YGSSGFJRPZTHHJ-BZUAXINKSA-N 380.510 2.546 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)O)c3ccccc3)cc2oc1=O 2140485 URVDBVMHTCINRM-IBGZPJMESA-N 381.384 2.731 0 40 GFAB biogenic O=C(Nc1ccc(-n2cncn2)nc1)C1CCN(c2nc3ccccc3o2)CC1 28089848 NNORXGQCBPVJGU-UHFFFAOYSA-N 389.419 2.659 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(F)cc1 2391555 GWJASQWYYUILNP-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 28647908 GYCUFSWHIDSRTC-SFHVURJKSA-N 379.416 2.625 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CNC(=O)C1CCCCC1 2619973 XIWAAOFSFFPXTC-UHFFFAOYSA-N 396.871 2.835 0 40 GFAB NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 12865672 NDHIZDCSYDRCQG-JTQLQIEISA-N 375.787 2.570 0 40 GFAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccc(Cl)cc1 71259368 TYNVXTCMAZLZRG-UHFFFAOYSA-N 389.824 2.745 0 40 GFAB O=C(COc1ccc(Br)cc1CO)Nc1ccc2c(c1)OCCO2 5468417 HSPLOSWJYHSPDS-UHFFFAOYSA-N 394.221 2.730 0 40 GFAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)NCCCn1ccnc1 6660982 HDEORQQKVLYKBB-FZAQZHIUSA-N 396.472 2.682 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc2n1CCCCC2 6648066 JEPJSRVVHWTMBE-ZDUSSCGKSA-N 385.493 2.861 0 40 GFAB C[C@@H](C[S@](C)=O)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 96012204 OJDYDHPLMJMJNO-WHDAMIPWSA-N 388.518 2.835 0 40 GFAB COc1ccccc1S(=O)(=O)N[C@@H]1CCCc2cn(CC(F)(F)F)nc21 96002782 UFWOUZLGJORCOH-GFCCVEGCSA-N 389.399 2.810 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 409377042 FNIRMQPAVDKWAM-GFCCVEGCSA-N 382.869 2.504 0 40 GFAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1nnc(C(=O)OC)c1C(=O)OC 4969637 WFYOZBJWNWOWOJ-CQSZACIVSA-N 388.424 2.565 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCCC1 5991522 VGAUVPDPBXKPCD-UHFFFAOYSA-N 387.263 2.715 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cc(F)ccc1F 15360325 IYEJHNRIAJAQAJ-UHFFFAOYSA-N 382.432 2.622 0 40 GFAB CN(C)CCCN(C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 67909540 TTYUXZJEDBKGSB-UHFFFAOYSA-N 377.492 2.882 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCNC(=O)c2ccco2)CC1 7779746 MFQNHJPQNPOMFI-UHFFFAOYSA-N 375.856 2.710 0 40 GFAB Cn1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)n1 7813568 QVTWDTHVNVDTJT-UHFFFAOYSA-N 395.076 2.746 0 40 GFAB C[C@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1ccc2c(c1)OCO2 8075663 CKTFIFBDFRRLQL-JTQLQIEISA-N 389.462 2.631 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 26538715 FETKARGJSYVNHI-QGZVFWFLSA-N 382.460 2.835 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)CC1 27823632 OUIUOHKREGELOP-UHFFFAOYSA-N 384.498 2.590 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2cccc(O)c2)CC1 95429488 LULTZSWQBATPSC-SFHVURJKSA-N 383.473 2.544 0 40 GFAB C[C@H](OCc1ccccc1)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 95949293 GINOCLKBGOMFFI-UXHICEINSA-N 381.520 2.919 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 9918744 XOFJDVXVERGSCE-UHFFFAOYSA-N 380.444 2.925 0 40 GFAB C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 89904305 SUKKKSCEENMPEM-RDJZCZTQSA-N 390.443 2.837 0 40 GFAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007565 ALFKEIYBTXIZME-KDOFPFPSSA-N 378.469 2.630 0 40 GFAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)[C@@H](C(N)=O)c2ccccc2)cs1 511064856 RIDBORDSFYRMQW-RYQLBKOJSA-N 376.501 2.522 0 40 GFAB Cc1c(NCc2ncc(CN(C)C)s2)cccc1S(=O)(=O)NC1CC1 512613692 MFCCGBLXIXXBGV-UHFFFAOYSA-N 380.539 2.566 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Cn2cnc3ccccc32)CC1 36708751 NXPPROBPZWUBHW-UHFFFAOYSA-N 390.443 2.883 0 40 GFAB Cc1c(C(=O)COc2coc(CN3CCOCC3)cc2=O)c2ccccc2n1C 72400783 QKCPMXZHYBCKSQ-UHFFFAOYSA-N 396.443 2.534 0 40 GFAB CCn1ncc(-c2cc(C(F)F)nc(N[C@H](C)CN3CCOCC3)n2)c1C 36614239 ISQCIJNRZUIFTB-GFCCVEGCSA-N 380.443 2.739 0 40 GFAB O=C(CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)NCc1ccco1 35291837 GWEKZERFNIIXLO-UHFFFAOYSA-N 399.535 2.693 0 40 GFAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 72321712 FSZJBTPFNLNXMX-BRSBDYLESA-N 395.377 2.722 0 40 GFAB biogenic,in-vitro COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)ccc1C 223799482 RRXYEJPUTLCBEZ-UHFFFAOYSA-N 390.461 2.721 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(F)cc3)cn2)c1C 49407461 DVOPOECUOHNDPT-UHFFFAOYSA-N 382.395 2.822 0 40 GFAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)cc1 49405836 SRJZOJGIKMJRAH-UHFFFAOYSA-N 389.459 2.610 0 40 GFAB Cc1cc(C)cc(N(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2O)S(C)(=O)=O)c1 224660131 FWQPLGHQBAXEFY-RTBURBONSA-N 396.553 2.612 0 40 GFAB Cc1nc([C@H]2CCN(C(=O)Nc3ccc(-c4nnnn4C(C)C)c(F)c3)C2)n[nH]1 572103078 SHGHMBGNRFIHPX-LBPRGKRZSA-N 399.434 2.508 0 40 GFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCc3ccccc3)ccc21 225766181 KAIUACJJFKXGSK-UHFFFAOYSA-N 384.501 2.897 0 40 GFAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)NCCC1=CCCCC1 223051327 OHHCQRDJABMDGE-UHFFFAOYSA-N 392.521 2.821 0 40 GFAB CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 222894108 MTCGHVGJVCCIMP-UHFFFAOYSA-N 388.445 2.712 0 40 GFAB COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2ccsc2)CC1 576534845 JHVBZBGSSSGHOV-UHFFFAOYSA-N 377.466 2.803 0 40 GFAB CC(C)Nc1nc(-c2cnn(C)c2)nc2c1CN(C(=O)Cc1cccs1)CC2 96254317 MWHJHVKYBQZLRP-UHFFFAOYSA-N 396.520 2.886 0 40 GFAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3ccncc3F)C[C@H]21 514288586 FDTOMYUOJFPQKV-WBVHZDCISA-N 395.356 2.957 0 40 GFAB biogenic,in-vitro CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccccc1C 96520913 JMFBFIXBQCBZPV-JTQLQIEISA-N 386.105 2.907 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 230172089 QQRMRAOYCBSXRC-QKLQHJQFSA-N 383.536 2.792 0 40 GFAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242547876 KXIVXQSPCJRQCT-NJDAHSKKSA-N 389.517 2.925 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@](O)(c4ccco4)[C@H]3C2)cc1 247909914 JLMLRTBMMMMPRS-UCLAIMLFSA-N 377.462 2.597 0 40 GFAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)ncn1 257283100 OWTHYYWEVAOPGS-ZDUSSCGKSA-N 388.418 2.552 0 40 GFAB O=C1C[C@@H](Sc2n[nH]c(Cc3ccccc3)n2)C(=O)N1c1ccc(F)cc1 618255210 RPKUAHYTGLBQHY-OAHLLOKOSA-N 382.420 2.959 0 40 GFAB O=C(Nc1ccccc1Br)C1CCN([C@@H](C(=O)O)C2CC2)CC1 635016327 LYJVIYRAZATXTP-OAHLLOKOSA-N 381.270 2.963 0 40 GFAB CC(C)c1c(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cnn1-c1ccccc1Cl 616775130 AIDBSVFQZDVMAA-AYBZRNKSSA-N 399.882 2.950 0 40 GFAB Cc1ccc2nc([C@@H]3CCCN([C@H]4CCCCN(CC(=O)O)C4=O)C3)[nH]c2c1 643876168 MXDAIOHQYYZKIE-QAPCUYQASA-N 384.480 2.516 0 40 GFAB Cc1sc(NC(=O)[C@@H]2CC[C@H](C(=O)O)NC2)nc1-c1c(F)cc(F)cc1F 657210241 CMRLLPINDFPCNJ-PRHODGIISA-N 399.394 2.927 0 40 GFAB CC(C)[C@@H](NC1CCOCC1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl 72312522 GKZSCYUGGXKGIV-QGZVFWFLSA-N 386.851 2.754 0 40 GFAB Cc1nnc2ccc(N3CCCN(c4ncccc4C(F)(F)F)CC3)nn12 1775985875 FMBQCSAUIGQULP-UHFFFAOYSA-N 377.374 2.563 0 40 GFAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccncc1Br 95441771 WSNVWHRCVBNHFD-UHFFFAOYSA-N 385.221 2.707 0 40 GFAB CCn1cc([C@@H]2OCC[C@H]2NC(=O)[C@H](C)Oc2cnc3ccccc3c2)cn1 598927785 CJXXSPKMOPHCOV-KPOBHBOGSA-N 380.448 2.865 0 40 GFAB O=C1CC2(CCN(Cc3ccccn3)CC2)n2nccc2N1Cc1ccncc1 1772596435 HRRAHTCHBGYGPU-UHFFFAOYSA-N 388.475 2.601 0 40 GFAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nc1 1775971078 VNSLKTWRRLHJLP-AWEZNQCLSA-N 381.885 2.918 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3cccc(F)c3)C2)c2cccnc21 19021819 OTMLXRGAQUSSGA-QGZVFWFLSA-N 381.455 2.696 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 19078779 YJCLPKUGIOVFLJ-KUHUBIRLSA-N 384.455 2.735 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)ccc2O1 19497909 JLHNUKNEMNNPFG-OAHLLOKOSA-N 392.503 2.808 0 40 GFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(C3CCCC3)CCO2)n1 19694914 ZIUACBTVNMKDLX-IBGZPJMESA-N 395.507 2.624 0 40 GFAB CCOc1ccccc1CN1[C@H]2CCC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 100146412 KKSNRVCZDBCWEN-PMACEKPBSA-N 397.519 2.899 0 40 GFAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCCN1CCCC1=O 12144003 MWAREDHOVLMERC-UHFFFAOYSA-N 394.450 2.971 0 40 GFAB CCc1nnc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)s1 1888890068 JIQJFDGJMGQHPB-UHFFFAOYSA-N 383.403 2.941 0 40 GFAB Cc1ncsc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985770 VVQPMVNHRIBYHU-FQEVSTJZSA-N 385.489 2.880 0 40 GFAB NC(=O)c1cccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)c1 2471396 CYPPNRMFGDZKLQ-FXBPSFAMSA-N 386.205 2.626 0 40 GFAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NC[C@@H]1CCCO1 2970212 YWLSHUIZXSTGHX-AWEZNQCLSA-N 375.494 2.915 0 40 GFAB Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O 3640606 GTVRRAWCJKCYER-KRWDZBQOSA-N 395.312 2.879 0 40 GFAB CC[C@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4274382 PYMFTBRYJROBEW-NSHDSACASA-N 378.458 2.982 0 40 GFAB CCCN(C(=O)Cc1n[nH]c(N)n1)C1(C(=O)Nc2ccccc2C)CCCCC1 8680296 FEBFMLZCVHKYAD-UHFFFAOYSA-N 398.511 2.818 0 40 GFAB CCCCc1ccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C)cc1 11927643 XSJLXFBJYOYEFS-UHFFFAOYSA-N 384.480 2.645 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2ccc(N3CCCC3)cc2)cc1F 16847290 OZHAATWVFFVAQB-UHFFFAOYSA-N 378.469 2.956 0 40 GFAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1cc2ccccc2oc1=O 17178561 LHFSNUPJAVPMME-NRFANRHFSA-N 392.455 2.986 0 40 GFAB Cc1ccc(CN2CCC[C@@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)s1 2055772358 BUAKNJMNWIXDJR-MRXNPFEDSA-N 386.443 2.923 0 40 GFAB Cc1nc(-c2cccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)c2)cs1 32702454 ZNSKHHSOCXPZDY-UHFFFAOYSA-N 392.440 2.760 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cn1 575617360 OFAKVWOPWPOSTG-GOSISDBHSA-N 388.489 2.871 0 40 GFAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cncc(Br)c1 252539878 OPSVOARUJNMGEW-HDJSIYSDSA-N 377.242 2.754 0 40 GFAB Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)c1 25088422 ZOLXMVHHBNDZLW-UHFFFAOYSA-N 378.432 2.575 0 40 GFAB COC(=O)c1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1 225735432 UGKZDLVJTBOOPC-UHFFFAOYSA-N 394.475 2.541 0 40 GFAB COc1ccccc1N1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 50135373 BGKJUVYINRFKNP-PZJWPPBQSA-N 381.476 2.622 0 40 GFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1 30599678 YVSXOWIUSKPSPS-SJKOYZFVSA-N 387.461 2.905 0 40 GFAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(Cc2ccccc2)CC1 20663759 OEYRCHFVGQNRJW-UHFFFAOYSA-N 376.460 2.514 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1cccc(Cl)c1 32828790 HJUJNTZUSLWLFV-ADLMAVQZSA-N 375.812 2.577 0 40 GFAB Cc1ccsc1C(=O)N(C)Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 21936924 GZHXSOWHYWJHSX-AWEZNQCLSA-N 381.523 2.502 0 40 GFAB COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 1381170 BXAYCYYHHNDRHL-DYVFJYSZSA-N 375.446 2.950 0 40 GFAB COc1ccc2c(c1OC)C1=NCCc3cc4c(cc3[C@]1(OC)C2=O)OCO4 1583613 JKTOCUUUQGHZPI-OAQYLSRUSA-N 381.384 2.516 0 40 GFAB C[C@@H]1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 42147015 JUWKRLZFRSLSMK-SJLPKXTDSA-N 390.549 2.959 0 40 GFAB O=C(c1csc(-c2cccs2)n1)N1CCN(CCN2CCCC2)CC1 22789741 PDHURDRVSOKBAZ-UHFFFAOYSA-N 376.551 2.725 0 40 GFAB O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCCCC1 4554500 JDDRWAWQYISXHT-LJDSDSDDSA-N 380.488 2.641 0 40 GFAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccnn2C)sc2c1CCCC2 832659 XMAFHHPDLGNEKK-UHFFFAOYSA-N 392.506 2.664 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)C1CCCCC1 6817941 XKUGVOPVABERET-UHFFFAOYSA-N 392.506 2.808 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2C(F)(F)F)cc1 7886877 GZJQLVHRRLFMKO-UHFFFAOYSA-N 389.351 2.589 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]32)c1 101352904 YFCBCBBFPDTAFR-MOPGFXCFSA-N 391.431 2.544 0 40 GFAB CCn1c(SCC(=O)NC2Cc3ccccc3C2)nnc1-c1cccnc1 10494369 GKCYLARSUPLGQP-UHFFFAOYSA-N 379.489 2.736 0 40 GFAB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2nnc(C)s2)cc1 8474602 MYQPZWXIJGHRHM-UHFFFAOYSA-N 390.465 2.700 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 12508052 LGBHTQHEWBOOTB-UHFFFAOYSA-N 396.472 2.809 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 3263246 JWIBGPIVOZXNHC-UHFFFAOYSA-N 380.495 2.698 0 40 GFAB CSCc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)ccc1F 601661076 VCZQRCRTFHIQKK-SFHVURJKSA-N 385.468 2.933 0 40 GFAB Cc1nn2c(=O)cc(COc3cccc(NC(=O)c4ccco4)c3)nc2s1 9858700 GVZPDUMPPCSJAA-UHFFFAOYSA-N 382.401 2.884 0 40 GFAB COc1ccccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 57525853 TYDGKSUUKFRUKC-UHFFFAOYSA-N 395.459 2.857 0 40 GFAB COc1cccc(C[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)n2nnnc2C)c1 48287514 OPHREFYBUXHJFQ-ZBFHGGJFSA-N 397.401 2.575 0 40 GFAB O=c1oc2ccccc2c(O)c1[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 104236704 UEYAWUCPCRXQJE-IBGZPJMESA-N 381.384 2.649 0 40 GFAB COC(=O)C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccs1 48235709 ZJSFEQZQSVCZET-INIZCTEOSA-N 386.473 2.838 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H]3CCc4ccccc43)C(=O)[C@@H]2C)cc1 12867083 XQIXXKODWRQEAA-HNAYVOBHSA-N 377.444 2.956 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3c(C)nn(C)c3n2)cc1 36616394 UAQWNVYSGSRRCA-UHFFFAOYSA-N 391.475 2.590 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1 3560352 IBGAYBPEVVTHDV-QGZVFWFLSA-N 379.460 2.823 0 40 GFAB CNC(=O)NC(=O)[C@@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 3557428 NXWJAYHMFMETSH-SFHVURJKSA-N 378.384 2.899 0 40 GFAB C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1 12939870 LRYBOPWCNKQXOI-OAHLLOKOSA-N 383.473 2.826 0 40 GFAB CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)n(C)c1 12986448 LCVJGLAIFIDVJY-UHFFFAOYSA-N 393.509 2.967 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NC[C@H](O)c3ccc(Cl)cc3)cnc12 12923628 BTPNDYKKLWSEHU-KRWDZBQOSA-N 385.851 2.598 0 40 GFAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(F)cc1 13040242 HLLSHLJMLJNOSB-UHFFFAOYSA-N 396.388 2.678 0 40 GFAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NC[C@@H]1CCCO1 4325702 BSIDWOSBIXXNBL-KRWDZBQOSA-N 377.444 2.749 0 40 GFAB CC(C)CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 5522352 LAPQCTYCCUMQLA-UHFFFAOYSA-N 386.823 2.897 0 40 GFAB Cc1cc(O)c(C2=Nc3c(C(N)=O)cnn3[C@@H](c3ccc(Cl)cc3)C2)c(=O)o1 6662812 DEQRKELTFYPHKR-CQSZACIVSA-N 398.806 2.717 0 40 GFAB Cc1cc(O)c(C2=Nc3c(C(N)=O)cnn3[C@H](c3cccc(Cl)c3)C2)c(=O)o1 6661574 DLEPIQPUAUKDRO-AWEZNQCLSA-N 398.806 2.717 0 40 GFAB CC(C)[C@@H](C(=O)NCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O 96223559 QWTKTEORHJZWHB-NRFANRHFSA-N 390.487 2.913 0 40 GFAB Cc1cccc(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 4988615 CPZARZTXTDSZSQ-UHFFFAOYSA-N 390.461 2.909 0 40 GFAB COc1ccccc1CN(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 15759129 SOXWAYBSKUFDKN-UHFFFAOYSA-N 383.473 2.993 0 40 GFAB O=C(c1cnc2ccccn2c1=O)N(Cc1ccccc1)CC1(O)CCCC1 84535641 ORLKMXRFSKZZMZ-UHFFFAOYSA-N 377.444 2.642 0 40 GFAB CC(C)NC(=O)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7843887 RXDFDRRCFWKFHX-UHFFFAOYSA-N 379.511 2.592 0 40 GFAB O=C(Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7987087 NFFNITZWCWDIAO-UHFFFAOYSA-N 386.473 2.681 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(CN2CCCC2=O)c1 8136019 QDKTWUNNBZIIDX-UHFFFAOYSA-N 376.460 2.897 0 40 GFAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CNC(N)=O 8325914 IMEAXYDHJHXNGR-UHFFFAOYSA-N 397.866 2.819 0 40 GFAB COCC(=O)N1CCCCC[C@@H]1C1CCN(c2nn3cc(C)nc3s2)CC1 71890476 GFAKVYZNROXQHF-MRXNPFEDSA-N 391.541 2.733 0 40 GFAB CCOc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 18073945 VNRMXXPQRFFDGY-UHFFFAOYSA-N 394.468 2.504 0 40 GFAB Cc1cccc(NC(=O)c2ccc(NC(=O)CSc3nncn3C)cc2)n1 8704137 BYJSPPVUVBXCET-UHFFFAOYSA-N 382.449 2.502 0 40 GFAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nnc(SCC(N)=O)s1 8775306 REOPCBJVIHUTLP-JTQLQIEISA-N 394.547 2.576 0 40 GFAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C2 8735362 VAIGXWQLFMCDIK-KRWDZBQOSA-N 376.503 2.901 0 40 GFAB COC(=O)c1cncc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 95426743 GDXJYKVSEPIPEJ-UHFFFAOYSA-N 399.472 2.835 0 40 GFAB O=C(c1cccs1)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306132404 LHSWZHUQKVLQMB-IAGOWNOFSA-N 378.457 2.666 0 40 GFAB O=C(NCCn1cc(Br)cn1)c1cc(-c2ccc(F)cc2)[nH]n1 28240239 IGFFBVNGCYYKFR-UHFFFAOYSA-N 378.205 2.605 0 40 GFAB COC(=O)c1c(CN2CCN(Cc3cc(C)no3)CC2)nc2ccccc2c1C 22253925 BGCJQYKJOSRCSD-UHFFFAOYSA-N 394.475 2.944 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 409380808 ILDRGXKMUCJGNK-CQSZACIVSA-N 392.477 2.805 0 40 GFAB CO[C@H](CN1CCN(C[C@H](O)[C@@H](OC)c2ccccc2)CC1)c1ccccc1 30691540 VSTNNAYSCJQCQI-ZRBLBEILSA-N 384.520 2.740 0 40 GFAB in-man NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898116 YVJUVPURECJFHY-PKIAMQTDSA-N 388.489 2.967 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)c3cc(C)ccc3C)nc12 35480025 NMFVOXYTZWDOSY-UHFFFAOYSA-N 390.443 2.721 0 40 GFAB COc1cc2cc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)[nH]c2cc1OC 524730062 UCOFTRGFKQHAMT-XUWXXGDYSA-N 397.475 2.658 0 40 GFAB biogenic CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c2c1 36353979 OQFYKPKKUCEUSB-SJCJKPOMSA-N 387.436 2.685 0 40 GFAB CSc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2)cc1 71283356 AHLKAQMSOXXSMX-HYVNUMGLSA-N 381.501 2.961 0 40 GFAB CC(C)COC(=O)NCCC(=O)OCC(=O)c1ccc(Br)cc1 408997382 GPFQFZWLSCMMIZ-UHFFFAOYSA-N 386.242 2.947 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218577815 NQWHGFAYSLADNL-XYJFISCASA-N 379.865 2.618 0 40 GFAB COc1cc(C(=O)N(CC(=O)O)C2CCOCC2)ccc1OC1CCCC1 531748086 HRVKKDFLAMCYHE-UHFFFAOYSA-N 377.437 2.722 0 40 GFAB COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O 30753505 OUILIHAXZJDPTN-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB Cc1nn(-c2ccc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cn2)c(C)c1Cl 72405184 FGAXMBLMMFBPGD-CQSZACIVSA-N 389.887 2.981 0 40 GFAB c1coc(-c2nc(N3CCn4c(nnc4C4CC4)C3)ncc2-c2cnccn2)c1 72338648 SEDYZJKJHHLENH-UHFFFAOYSA-N 386.419 2.683 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 121341030 ORVTZQNJWYLORG-MRXNPFEDSA-N 388.489 2.507 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccccc2)cc1 39986096 RUMOURLBELBBAS-MRXNPFEDSA-N 390.505 2.973 0 40 GFAB Cc1ccc(C)c2sc(N(C)CC(=O)N3CCC4(CC3)OCCO4)nc12 70973776 KMNBMPASGKGXDU-UHFFFAOYSA-N 375.494 2.715 0 40 GFAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(CC2=Cc4ccccc4OC2)C3)CC1 72335646 VAXKKJCZUFULTR-UHFFFAOYSA-N 392.503 2.840 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218434077 BZGABXHDEYOCMW-JFIYKMOQSA-N 380.849 2.651 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)CC1 222622360 RYZZBDLIGQJNKF-LJQANCHMSA-N 396.553 2.960 0 40 GFAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1NS(C)(=O)=O 44903858 WLUZKYMLFZWEGC-UHFFFAOYSA-N 398.488 2.791 0 40 GFAB COc1ccccc1CCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222437741 VKHIYTAGCATHSW-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB CC(C)(C)NC(=O)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 199411560 OMUXVPLVEAEGDK-OAHLLOKOSA-N 391.265 2.950 0 40 GFAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CCN(c2ccc(F)cc2)CC1 225746487 WGIIHPQMCXMDEL-UHFFFAOYSA-N 379.435 2.798 0 40 GFAB COc1cccc(CN(C)C(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 224513550 FMVYMMJRURLZFZ-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c[nH]1 95473563 VNTOYTAYQIDPGF-UHFFFAOYSA-N 385.401 2.553 0 40 GFAB COC(=O)CNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1 257253252 JYDNFNDZPYDRAK-UHFFFAOYSA-N 397.471 2.991 0 40 GFAB O=C(Cc1c(F)cccc1Cl)NCC1CCN(c2ncc(F)cn2)CC1 252507543 WOGZZDKSXYQUAF-UHFFFAOYSA-N 380.826 2.984 0 40 GFAB CC(=O)N[C@@H]1C[C@H](c2cccc(OCCN(C)C)c2)OC2(CCOCC2)C1 257311437 UJLKRSBCXSMPPJ-UYAOXDASSA-N 376.497 2.532 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1C 257208977 BOIYSRFDIFAAFZ-CTNGQTDRSA-N 381.476 2.633 0 40 GFAB COc1ccccc1-c1cc(C(=O)N[C@H](Cn2nccn2)c2ccccc2)[nH]n1 253403875 QPKBQVZTSTVKFE-LJQANCHMSA-N 388.431 2.848 0 40 GFAB CC(=O)NCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@H]2Cc1ccccc1 257208208 BLDQNEHAYRORIH-KHYDEXNFSA-N 383.536 2.598 0 40 GFAB C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)Nc1ccccc1F 24993090 CQTUALWNJBVWSZ-ZDUSSCGKSA-N 377.441 2.805 0 40 GFAB CC1CC(n2nnc3c2CN(C(=O)c2ccc(CN4CCCC4=O)cc2)CC3)C1 634225578 SZEDINCYGBCJJX-UHFFFAOYSA-N 393.491 2.570 0 40 GFAB O=C(O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)c1ccc2c(c1)CCOC2 659160602 LLYJHHHVKSMFRR-OAHLLOKOSA-N 393.361 2.992 0 40 GFAB COc1ccc(-c2nc(CS(=O)(=O)Cc3noc(C(C)(C)C)n3)no2)cc1 48332380 XZAASYXKJSJVFR-UHFFFAOYSA-N 392.437 2.541 0 40 GFAB CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 55259673 BYJIFJHHWXXJQX-RYUDHWBXSA-N 376.316 2.710 0 40 GFAB C[C@@H](NC(=O)CN1CCN(c2ccc(Cl)cn2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 107135481 OWCQTXBTVCPTAM-MUQADHOPSA-N 376.932 2.798 0 40 GFAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C 104715296 BQJXBYONTMNTDU-HEHGZKQESA-N 380.872 2.696 0 40 GFAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CC[C@H](N2CCNCC2)C1 667313762 WDHBTUUWLXEUGU-NRFANRHFSA-N 392.503 2.800 0 40 GFAB COc1cc(/C=C\[C@H](NC(C)=O)c2cccc(O)c(=O)c2)cc(OC)c1OC 5662981 SAZUUYOLIGRZAJ-QWGSZXSUSA-N 385.416 2.669 0 40 GFAB CSCC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2[nH]1 5988191 ATCISZSRWCMZPO-QGZVFWFLSA-N 393.476 2.763 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)c1 11458367 PTRAVNDCFRHDQE-CYBMUJFWSA-N 378.384 2.915 0 40 GFAB COc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C)n1 12223914 GVSKBZBPQOZZPJ-UHFFFAOYSA-N 379.823 2.940 0 40 GFAB COc1cc(C(=O)Nc2nc(C)c3c(n2)C[C@@H](C)CC3=O)cc(OC)c1OC 13636145 UODKQGRDSKVLTM-SNVBAGLBSA-N 385.420 2.828 0 40 GFAB COc1cc(OC)cc(C(=O)NCCOc2ccc(-c3ccccc3)nn2)c1 16943117 KIOUGOIXHVUWER-UHFFFAOYSA-N 379.416 2.970 0 40 GFAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 18213153 YRCTXZHFVBKWLT-HNNXBMFYSA-N 394.479 2.727 0 40 GFAB COc1ccc(C)cc1CC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19132982 WLUYEMABNSQUOF-UHFFFAOYSA-N 394.519 2.730 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)c2ccccc2)CC1 19288997 IPWGVYKGJQIIEB-UHFFFAOYSA-N 375.476 2.877 0 40 GFAB O=C(COc1ccc(F)cc1F)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19293076 LTHSTOJUSIJTBJ-QGZVFWFLSA-N 388.418 2.533 0 40 GFAB COc1ccc(CCCNC(=O)CN2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)cc1 19460819 XBIRYTGPYZHISR-HTAPYJJXSA-N 386.492 2.555 0 40 GFAB CCCCn1nc(C)c(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1C 19502411 BSHDDLXMOSPVOW-UHFFFAOYSA-N 398.555 2.584 0 40 GFAB Cc1nccn1C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 19658007 UECZSHHQJNQWLE-QGZVFWFLSA-N 380.496 2.737 0 40 GFAB Cc1nccn1Cc1cccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1 19715211 RMNIBFAWTSEURF-UHFFFAOYSA-N 387.443 2.897 0 40 GFAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CCn3nccc3C)C2)on1 13227759 YJQQDTMOBSSXMO-CQSZACIVSA-N 386.481 2.803 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](NCCCN1CCOCC1)c1ccccc1 3336627 WSADDCPRMZXYML-QFIPXVFZSA-N 397.519 2.995 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1oc2ccc(Br)cc2c1C 4525587 PAYMKKDIZKEBSL-QMMMGPOBSA-N 383.198 2.505 0 40 GFAB CC(C)(C)c1ccc(OC[C@@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)nn1 1888864242 YDGMYGYFKGZJAU-GFCCVEGCSA-N 395.447 2.757 0 40 GFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)c(C)c1 21816689 HVUIWIDWROOEKO-NRFANRHFSA-N 377.488 2.753 0 40 GFAB Cn1c(=O)n(CCC(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc21 23742199 WZHOLZAYFNTFNS-OAQYLSRUSA-N 392.503 2.683 0 40 GFAB COc1ccc(CN2CCN(c3cc(C(F)(F)F)nc(C)n3)C[C@@H]2C)cn1 2086934316 ZAZPHVXAYRFYTP-LBPRGKRZSA-N 381.402 2.918 0 40 GFAB CC1(C)CN2C(=O)[C@](NC(=O)c3ccccc3F)(C(F)(F)F)N=C2S1 4751709 RTMFEBDXGRPLPK-CQSZACIVSA-N 375.347 2.538 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 9169924 SVDFMIDIEMQRNX-UHFFFAOYSA-N 390.461 2.877 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 10104764 GEVNLCNYDSGUCG-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB O=C(NCc1ccccc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775974320 WTPOECIFEDZSQB-UHFFFAOYSA-N 378.354 2.659 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225629280 OLTGPIIGOHPRFO-VAWYXSNFSA-N 396.472 2.715 0 40 GFAB CN(C)c1nc(CNC(=O)c2cc3ccccc3s2)nc(N2CCCC2)n1 575608346 SMMDRLWJDMXTAN-UHFFFAOYSA-N 382.493 2.683 0 40 GFAB CN1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)[C@@H](c2ccccc2)C1 30030264 NUBWYZDHYDJBGI-OAQYLSRUSA-N 393.487 2.708 0 40 GFAB O=C(NCc1cccnc1)c1nc(COc2ccc3c(c2)N=C(O)CC3)no1 20745414 RGSGFXYABKULOP-UHFFFAOYSA-N 379.376 2.508 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1OC 32797399 BPGSFECXHFZUIQ-HNNXBMFYSA-N 397.475 2.947 0 40 GFAB CCCn1c(O)nnc1S[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C 32905548 VTXXSCJVLCDAOL-LBPRGKRZSA-N 377.470 2.839 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)OCO2 32994725 DHRKZWUTTNLQHA-UHFFFAOYSA-N 397.355 2.867 0 40 GFAB COc1ccccc1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 32924910 VKMSLVCTSLXWFU-UHFFFAOYSA-N 380.488 2.978 0 40 GFAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl 102776093 GFJYYUBZPNOMNJ-VHSXEESVSA-N 381.704 2.756 0 40 GFAB COc1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 655162 VRGBIGVIKPOGML-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 1021696 QRUWDFCYKJYGTR-OLMMMNRUSA-N 382.840 2.506 0 40 GFAB COCCCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc21 2352366 KUNOEYOQGANRCO-UHFFFAOYSA-N 379.420 2.726 0 40 GFAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(C(=O)O)c1 2415448 FTKJZTQQOQYRET-UHFFFAOYSA-N 381.392 2.898 0 40 GFAB CC(=O)Nc1sc2c(c1C(=O)OCn1nnc3ccccc3c1=O)CCCC2 2647320 AIEWMTGAOCTOKS-UHFFFAOYSA-N 398.444 2.505 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)c3ccc(OC(F)(F)F)cc3)cc2N1 2650592 UPCOOIUEVMHHKD-UHFFFAOYSA-N 395.289 2.956 0 40 GFAB CC(=O)Nc1cccc(OS(=O)(=O)c2ccc(-c3csnn3)s2)c1 3104663 DETBZKQJEGPRNY-UHFFFAOYSA-N 381.460 2.993 0 40 GFAB O=C(NC1CCCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3202883 PNPHZHRQKHCEGO-UHFFFAOYSA-N 380.510 2.550 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)ccc2OC)cc1 3264304 ZOOIWZSXLLXXFZ-IZZDOVSWSA-N 399.399 2.686 0 40 GFAB COc1ccc(OCCOC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 3381084 UDEYZAXUGRERCU-UHFFFAOYSA-N 386.372 2.927 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 3428023 KSZLHLVVJSQLEH-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CN(Cc1cccs1)C(=O)CSc1nnc(-c2cccc(F)c2)n1N 3446552 HZTXJUBEQBTILR-UHFFFAOYSA-N 377.470 2.610 0 40 GFAB CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4016848 SNYBQIIVGREIAE-GGXPGOJBSA-N 382.840 2.506 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 4352340 HRGPOKAJKOXYJS-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB COc1cccc(N2C(=O)N(c3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 4393507 AVOVBEHIBDUZMR-IRXDYDNUSA-N 392.864 2.961 0 40 GFAB NS(=O)(=O)c1ccc2nc(NC(=O)CSc3ccc(F)cc3)sc2c1 4496702 ILDNGGJADVEGTB-UHFFFAOYSA-N 397.478 2.814 0 40 GFAB O=C(NCc1ccco1)[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 4878241 HJQYUYCNNYPOHK-NSHDSACASA-N 375.475 2.844 0 40 GFAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 4904367 LUBXAJGFWSHJNO-INIZCTEOSA-N 378.519 2.508 0 40 GFAB aggregator C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1nnc2ccccc2c1=O 5243353 JMGCALNMIZTSDV-JTQLQIEISA-N 378.310 2.890 0 40 GFAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc(C(N)=O)c1C 6048100 DBZNKWQAJCHQOW-UHFFFAOYSA-N 376.434 2.983 0 40 GFAB Cc1ccc2oc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc(=O)c2c1 6610877 ORDUQCZCCRTOJC-UHFFFAOYSA-N 378.384 2.992 0 40 GFAB COC(=O)c1cc2ccccc2cc1OC(=O)Cn1cnc2ccccc2c1=O 7066593 DJCYPEIJTISCSJ-UHFFFAOYSA-N 388.379 2.942 0 40 GFAB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2C1 7779790 MWXNCTZDFKHMDU-SNVBAGLBSA-N 385.445 2.838 0 40 GFAB O=c1cc(Cn2nnc(-c3cccc(Cl)c3)n2)nc2sc3c(n12)CCCC3 7984304 YTOUMTIGMUTUCW-UHFFFAOYSA-N 398.879 2.990 0 40 GFAB Cc1nc(SCC(=O)N2CCCC[C@@H]2C(N)=O)c2c(C)c(C)sc2n1 8560389 DZQFKHUEWODXCA-GFCCVEGCSA-N 378.523 2.575 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)no1 8704386 PXYRGECUVRYEPY-UHFFFAOYSA-N 388.453 2.547 0 40 GFAB CCc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954895 QIDKDWWUQUPHEM-UHFFFAOYSA-N 389.502 2.513 0 40 GFAB COc1ccc(CCNC(=O)C(=O)NCCCCc2ccccc2)cc1OC 9235607 WMRDEIVZWKYXFW-UHFFFAOYSA-N 384.476 2.502 0 40 GFAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCN(C)C)ccc23)cc1 9418804 WFDCFTKHMNUBKJ-UHFFFAOYSA-N 396.443 2.525 0 40 GFAB biogenic CCCn1nc(C(=O)Nc2ccnn2Cc2ccco2)c2ccccc2c1=O 9683212 MHLALHMDYIQNPG-UHFFFAOYSA-N 377.404 2.897 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 11367903 SQLWVSZLWGPYKZ-IAQYHMDHSA-N 396.896 2.945 0 40 GFAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1c(F)cccc1F 11613595 FYSXYGFZFUXFKA-NSHDSACASA-N 379.432 2.998 0 40 GFAB COc1cc2nc(CSCC(=O)NC3CCCCC3)[nH]c(=O)c2cc1OC 11866079 WJLPHOKNGZEPLD-UHFFFAOYSA-N 391.493 2.622 0 40 GFAB O=C(Cn1nnc2ccccc21)NN=C/C(Br)=C/c1ccccc1 12375742 GLQSIRDOXHCRPW-IOQKDPEHSA-N 384.237 2.969 0 40 GFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C(C)C 12907983 SQHLNDOOIMTYSS-UHFFFAOYSA-N 389.521 2.833 0 40 GFAB C[C@@H]1C[C@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12923909 XLDVVXOGGKCREO-OXQOHEQNSA-N 388.471 2.928 0 40 GFAB COCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 12942995 AUAGHRVXJDQUNV-UHFFFAOYSA-N 396.896 2.931 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c(C)c1 12996916 LIDVKLXRQUEPLR-UHFFFAOYSA-N 388.533 2.923 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(OC)cc1OC 13012394 HGAWKFKEZMFJFH-CSKARUKUSA-N 388.489 2.943 0 40 GFAB COc1ccc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1 13562993 FWRFXGJKHKHHCR-UHFFFAOYSA-N 378.476 2.901 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccn2)N1Cc1ccccc1 13720179 MHCMAUUHNZQCLM-PZJWPPBQSA-N 380.469 2.931 0 40 GFAB CN(C)CCCNC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13722848 FLQOYZNCTFQWAZ-UHFFFAOYSA-N 382.489 2.970 0 40 GFAB COc1ccccc1CCNC(=O)CSc1nnnn1-c1ccc(C)cc1C 13988347 NTYPBFAOSYRSJK-UHFFFAOYSA-N 397.504 2.739 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 15953998 HMODSEUUTCJCOO-ZHRRBRCNSA-N 385.460 2.888 0 40 GFAB biogenic CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2CC(=O)N1CCC1 19017541 GPDWHBNOKUNZER-VWPQPMDRSA-N 387.499 2.617 0 40 GFAB COc1ccc(OCCN2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 19018618 XOXQPYMPOQVPLJ-OAQYLSRUSA-N 396.491 2.606 0 40 GFAB Cc1cc(N)n(-c2ccc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)cc2)n1 19660624 NJNCZEPJUPNIFD-FQEVSTJZSA-N 389.503 2.982 0 40 GFAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1)S(C)(=O)=O 20049852 QFDSBQNMSPTOLB-CQSZACIVSA-N 376.478 2.972 0 40 GFAB Cn1c(S)nnc1C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20385402 CXLDVJNTHSDTMQ-SSDOTTSWSA-N 392.794 2.776 0 40 GFAB O[C@H](CN1CCN(c2ncccn2)CC1)Cn1c2ccccc2c2ccccc21 20476891 DAAFYTIMPHFJON-GOSISDBHSA-N 387.487 2.768 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(F)c(F)c1 24837372 SOJOGPZUBZHOLP-LBPRGKRZSA-N 387.386 2.801 0 40 GFAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2cccnc12 28167354 RUNODPMUXAFLLN-KRWDZBQOSA-N 395.440 2.690 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ncccc1C(N)=O 29525272 ZNWKCKGSASVWMG-UHFFFAOYSA-N 386.761 2.928 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 30852955 ZOGFRGBKXCBAJL-CQSZACIVSA-N 394.468 2.695 0 40 GFAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(C(=O)O)cc2)nn1 32102542 HGRZVHZLFFINCB-CYBMUJFWSA-N 379.376 2.801 0 40 GFAB CCc1c(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)cnn1-c1ccccn1 32913744 NHOUUEWXICIAHO-UHFFFAOYSA-N 397.435 2.911 0 40 GFAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 32947174 YGTRZMNUUUZGNO-CYBMUJFWSA-N 376.478 2.925 0 40 GFAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H]2Cc3ccccc3O2)c1 33117803 PMARDOOIIFJZIK-INIZCTEOSA-N 380.473 2.662 0 40 GFAB CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)[C@H]1CSC(=O)C1)C1CC1 35313993 ILTMXNVVFOBAKK-IUODEOHRSA-N 380.535 2.975 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(OC)cc2OC)CC1 40089822 XXDLDNRGQCIYRM-UHFFFAOYSA-N 397.519 2.771 0 40 GFAB CCN1CCN(c2ccc(NC(=O)Cn3nc(C)c(Cl)c3C)cc2)CC1 40146572 JOMDHZNCIZENJK-UHFFFAOYSA-N 375.904 2.934 0 40 GFAB CCCc1c(C(=O)NCc2ccc(-n3cccn3)nc2)[nH]c(C)c1C(=O)OC 40153394 ZEFHWAHRJRVNJN-UHFFFAOYSA-N 381.436 2.573 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccnc1OCc1ccccc1 40154806 HBGWLKMEPDIUKK-OAHLLOKOSA-N 379.416 2.688 0 40 GFAB O=C(NC[C@@H]1COCCO1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 55848272 VUPPEMTYKSDTBG-MRXNPFEDSA-N 389.883 2.940 0 40 GFAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(OC(F)F)cc1 57363965 JQPCLLBITWFCMV-UHFFFAOYSA-N 377.391 2.754 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492826 MAZUDXZBEPHUNZ-UHFFFAOYSA-N 385.489 2.699 0 40 GFAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1nc(-c2ccccc2)c[nH]1 58201100 CBCTVIZXVQAEHY-AWEZNQCLSA-N 375.432 2.608 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CC(c2ccc(Cl)s2)=NO1 58417551 ZPWTZYKEUSWUEN-IINYFYTJSA-N 378.837 2.851 0 40 GFAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n12 65196636 XPYLKIHIGPKJMK-UHFFFAOYSA-N 399.454 2.846 0 40 GFAB Cc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)nnn1-c1ccc2ncccc2c1 66830470 XLLQIZCIRQIUML-MRXNPFEDSA-N 392.507 2.974 0 40 GFAB Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c(C)c1 70903952 RQPBLURSOPUUHZ-UHFFFAOYSA-N 387.505 2.529 0 40 GFAB Cc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc(-n4cnnn4)cc3)nc12 70973751 FHWWLCYENKTDHU-UHFFFAOYSA-N 393.476 2.964 0 40 GFAB CCOC(=O)Cn1cnc2c(sc3nc(N4CCCCC4)cc(C)c32)c1=O 71282109 SNHCPWSWVLBWNS-UHFFFAOYSA-N 386.477 2.868 0 40 GFAB COc1cccc(NC(=O)COc2ccc(C(=O)OCc3nnc(C)o3)cc2)c1 71873513 YJQOMKYVPARCLD-UHFFFAOYSA-N 397.387 2.761 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349687 PNTIDYOTDAYWIC-KRWDZBQOSA-N 383.467 2.926 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccccc2)c1 72354620 WZDHTSRDKYJVSW-GOSISDBHSA-N 387.443 2.802 0 40 GFAB COc1cc(CCC(=O)Nc2n[nH]c(CCc3c[nH]c4ccccc34)n2)on1 79496746 PHVWIKZZVTUVIH-UHFFFAOYSA-N 380.408 2.639 0 40 GFAB CCN(CC)C(=O)N1CCC(C(=O)N2CCc3ccc(C(C)=O)cc3CC2)CC1 89967670 HEDUUIMDAZVTNI-UHFFFAOYSA-N 399.535 2.990 0 40 GFAB O=C(Nc1cccc(C(=O)N(CCO)C2CC2)c1)c1ccc(Br)o1 95431722 VNXGASDUSSHNDD-UHFFFAOYSA-N 393.237 2.891 0 40 GFAB Cc1nnc2n1C[C@H](C(=O)Nc1nc(-c3ccc4c(c3)OCCO4)cs1)CC2 95432720 SDRQFZVGYKBMFM-CYBMUJFWSA-N 397.460 2.682 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN2CC(c3nc(-c4ccco4)no3)C2)cc1 96024280 INOMEVBASWASCF-UHFFFAOYSA-N 396.403 2.544 0 40 GFAB Cc1noc(C)c1CN1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 96100426 ZCISYPHFEBKTTL-UHFFFAOYSA-N 385.512 2.809 0 40 GFAB O=C(O)CN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCCO3)c2ccccc2C1=O 97997540 DAWMRSJCENGCAV-VGOFMYFVSA-N 399.786 2.719 0 40 GFAB C/C(NCCOc1ccc(Cl)cc1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 101152061 YBFDOLAAFJEOCU-LGMDPLHJSA-N 399.834 2.865 0 40 GFAB COCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2ccc(Cl)cc2Cl)C1=O 101378875 KFXUONZKSAKKQF-IOILJZQOSA-N 399.230 2.934 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Oc1ccc(Oc2ccccn2)cc1 102398381 USBCOCSIQWGLLB-CALCHBBNSA-N 378.384 2.731 0 40 GFAB CCCOc1c(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cccc1OCC 105741563 YQTUYZBWKGBBGF-AXPVVUDUSA-N 389.517 2.848 0 40 GFAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(S(=O)(=O)C(F)(F)F)cc1 106531592 ZKWKVPPNGLDRJR-BPNCWPANSA-N 376.400 2.603 0 40 GFAB COc1cccc(OC)c1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 225970037 BYEOVTGUHBGCOP-UHFFFAOYSA-N 398.868 2.659 0 40 GFAB O=C(c1cnc(O)c(Cl)c1)N1CC[C@@H](Oc2ncccc2Br)C1 238957161 YBVDPZFMWOBYCT-SNVBAGLBSA-N 398.644 2.892 0 40 GFAB Cn1ccc(C(=O)N2[C@H]3CC[C@H]2c2c(Nc4cccc(F)c4)n[nH]c2C3)cc1=O 257280330 OKKUNTUMZTYRJV-RDJZCZTQSA-N 393.422 2.893 0 40 GFAB COCCN1CC[C@]2(CN(Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306140951 VHMMBLHRYJUDKO-GHTZIAJQSA-N 386.496 2.522 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 409387340 ABEMBUWLLWLZBH-QGZVFWFLSA-N 394.537 2.807 0 40 GFAB CS(=O)(=O)Cc1nc(CN2CCC(Oc3cccc(F)c3)CC2)cs1 528576112 YUUVXAPHUHVXFX-UHFFFAOYSA-N 384.498 2.870 0 40 GFAB O=c1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)nn1-c1ccc(F)cc1 544990741 SSIIHQLHEQKSCQ-UHFFFAOYSA-N 378.319 2.817 0 40 GFAB O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccnc(NC(=O)C2CC2)c1 560537159 RTIRSADAZICCSY-UHFFFAOYSA-N 396.838 2.976 0 40 GFAB COC1(c2nc(C3CC3)no2)CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 583615884 JAMRFOWKSYLFPY-INIZCTEOSA-N 379.407 2.896 0 40 GFAB COc1ccc(CCNC(=O)N2CCc3c(cccc3C(N)=O)C2)c(Cl)c1 585094472 LYORSSVVIGPGNJ-UHFFFAOYSA-N 387.867 2.758 0 40 GFAB O=C(Cn1nnc2c1CCCC2)NCCc1c[nH]c2cc(F)c(Cl)cc12 585124231 KOQOPNIAFFNAAG-UHFFFAOYSA-N 375.835 2.790 0 40 GFAB NC(=O)C1(c2ccccc2)CCN(C(=O)NC[C@H]2CCOc3ccccc32)CC1 604588946 NCOOVUGQLWUEIV-QGZVFWFLSA-N 393.487 2.781 0 40 GFAB CC1(C)CN(S(=O)(=O)CCCC(=O)O)c2ccc(Br)cc21 629340659 PVKKDWXSRQSTPN-UHFFFAOYSA-N 376.272 2.741 0 40 GFAB Cc1csc(N2CCN(C(=O)c3ccc(C(=O)NC4CC4)cc3)C[C@@H]2C)n1 677428524 QAEWKPIXMANPOD-AWEZNQCLSA-N 384.505 2.695 0 40 GFAB O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1524987268 WGTVTJUXCWPDAR-LLVKDONJSA-N 383.358 2.742 0 40 GFAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4noc5c4CCCC5)C[C@H]3C2)nn1 1888875929 LFEQBQLYMIKRDE-HUUCEWRRSA-N 395.507 2.849 0 40 GFAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2sccc2C)CC1 2055750670 OVGCFPRIUUEBRD-UHFFFAOYSA-N 387.505 2.898 0 40 GFAB CC(C)c1ocnc1CN1CCN(c2ccc(=O)n(Cc3ccccc3)n2)CC1 2298067711 JWAAAXLLZJZBRE-UHFFFAOYSA-N 393.491 2.725 0 40 GFAB CN1CCN(Cc2ccc(C(=O)NCc3cn4cc(Cl)ccc4n3)cc2)CC1 53794594 JTQBIZOBZWTWQK-UHFFFAOYSA-N 397.910 2.665 0 40 GFAB O=C(Nc1nccs1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 7654782 VUHGPHHNPBZIJO-UHFFFAOYSA-N 376.463 2.877 0 40 GFAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103261820 WLMPPYHRXPUOIQ-QMMBQJITSA-N 376.840 2.941 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc3ccccc23)n2nc(C)nc2N1 10157090 XDUJKIFHYHRUSL-HXUWFJFHSA-N 389.459 2.887 0 40 GFAB Cc1cccc(N2CCN(C(=O)NCCCN3CCCCCC3=O)CC2)c1C 12537648 FXPNMGUMAHCRBA-UHFFFAOYSA-N 386.540 2.928 0 40 GFAB CCCCN(CCO)c1nc(N(C)C)nc2c1CN(Cc1ccccc1)CC2 57731549 KIASMRNDLMYUSQ-UHFFFAOYSA-N 383.540 2.700 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25818465 RTLDAAAPPPLTMS-CQSZACIVSA-N 399.415 2.639 0 40 GFAB C[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 44204108 VFDUGWVSUILAFN-IVKJLDKCSA-N 377.506 2.942 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NCCc1ccc(OC(F)F)cc1 57777650 JWZSDRFMQKTDIS-UHFFFAOYSA-N 376.359 2.945 0 40 GFAB Cc1ccccc1CCNC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O 57882662 SAEJQOKVRJYAQJ-UHFFFAOYSA-N 394.519 2.855 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cccc(F)c2)C(C)C)cc1 27392502 IKUFMWOCTOLSPQ-KRWDZBQOSA-N 380.441 2.776 0 40 GFAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 27339052 AWSZGOLRZICRDX-ZNMIVQPWSA-N 382.526 2.890 0 40 GFAB Cn1c(Cl)cnc1CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 58157596 OXVJCFQCPCPZQX-UHFFFAOYSA-N 387.248 2.892 0 40 GFAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cn2cncn2)cc1 12761104 BYFFDBOYLOHGQS-NRFANRHFSA-N 375.476 2.893 0 40 GFAB COc1ccc([C@@H](C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)cc1OC 102939177 GKPCWXUGSYMKJL-GOSISDBHSA-N 386.356 2.639 0 40 GFAB COc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)ccc1C 10375819 BQUHKPMRFMXJAO-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2ccc(Cl)nc2Cl)n1 58358267 XOCNHJJEZAGKCI-VIFPVBQESA-N 377.297 2.816 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 22534708 BUXNIKWQGYRHGQ-CABCVRRESA-N 376.478 2.727 0 40 GFAB O=C(CN1CCN(c2ccccc2Cl)CC1)NC(=O)Nc1ccccc1F 36384676 GJOAWNLFJIQQKT-UHFFFAOYSA-N 390.846 2.949 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1OC 2369207 UIUHUMOOEXOKOG-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871513 YFOVYGFVYGGOTE-UHFFFAOYSA-N 390.461 2.630 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C3CCCCC3)C2)cc1 20492973 LECUVYWTPCHGPO-INIZCTEOSA-N 394.537 2.887 0 40 GFAB CC[C@@H](CCNC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12)n1cccn1 36619006 ZWWBCKIHVNOFSG-HNNXBMFYSA-N 393.451 2.899 0 40 GFAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3cccc(C(C)C)c3)n2N)n1 11295218 VTEMIZHRFXVFPU-UHFFFAOYSA-N 385.497 2.649 0 40 GFAB COc1ccccc1CN(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 12851713 QXXQMPMRKRZSQB-UHFFFAOYSA-N 387.505 2.805 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccnc1SCC(F)(F)F 12864917 AGMAKUYZSVODBB-UHFFFAOYSA-N 380.355 2.964 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 12824306 YEGCSJPRDICMCH-VXGBXAGGSA-N 393.281 2.940 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 29562065 VMGKIHGQKQFIAD-IFXJQAMLSA-N 395.411 2.835 0 40 GFAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)s2)cs1 29555412 VEVXKHXHZOJCRU-GFCCVEGCSA-N 375.519 2.850 0 40 GFAB CC(C)(C)c1nc(CS(=O)(=O)Cc2ccc(C(=O)N3CCCC3)cc2)no1 46164370 VWVOCCGIBOVBEX-UHFFFAOYSA-N 391.493 2.718 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 11999398 JXKYGUMQKWHIBL-HNNXBMFYSA-N 382.869 2.650 0 40 GFAB Cn1nc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c2ccccc2c1=O 2639309 OHEBNIKWQHBLIK-UHFFFAOYSA-N 387.395 2.882 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1=O 12993493 AYPXWKAMNSFOAR-HNNXBMFYSA-N 393.443 2.814 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)CC(=O)Nc1ccccc1Cl)C2=O 13041578 QHTWWSJJCUZPHS-YJYMSZOUSA-N 392.887 2.669 0 40 GFAB CCOC(=O)c1c(N/C=C2\C(=O)N=C(O)N=C2O)sc2c1CCCCC2 9088490 DXWWNLQDNUTOKN-UHFFFAOYSA-N 377.422 2.900 0 40 GFAB CCN(Cc1ccncc1)Cn1nc(-c2ccncc2)n(CCOC)c1=S 6005859 YUNBXSCHFONGHA-UHFFFAOYSA-N 384.509 2.997 0 40 GFAB CSc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccn3)CC2)c1 61720488 TWJKCRNRHVRGFV-HNNXBMFYSA-N 399.520 2.662 0 40 GFAB CCc1nnc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)s1 5033866 XMPYYRMMFQRUJO-MRVPVSSYSA-N 395.901 2.849 0 40 GFAB CCN(CC)Cc1cccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 60364918 FLCYUDIHGJPCND-OAHLLOKOSA-N 386.496 2.720 0 40 GFAB O=C(NCCCN1CCCC1=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 65890270 SGTXRUSZOYVNOQ-UHFFFAOYSA-N 381.263 2.921 0 40 GFAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 20495297 LXVYTMVRAQPOTR-UHFFFAOYSA-N 386.473 2.898 0 40 GFAB CCc1ccc(C(=O)OCc2c(C(=O)OC)sc(N)c2C(=O)OC)cc1 4805607 UISZBEBQSBREPQ-UHFFFAOYSA-N 377.418 2.823 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(-c3ccco3)n2C)c1C 5864468 LNINUEBTLDYYRN-UHFFFAOYSA-N 399.476 2.539 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3cn(CC(F)(F)F)nc32)cc1 96002791 XQRRDZDMGKGQLP-AWEZNQCLSA-N 389.399 2.810 0 40 GFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc2cn[nH]c2c1 68099499 PONWITRHXPMTAJ-UHFFFAOYSA-N 390.490 2.590 0 40 GFAB CCOc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1OCC 7987009 YJVRYQBASKXUSS-FQEVSTJZSA-N 383.444 2.924 0 40 GFAB CSc1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 24051295 VZIGSKIBRHPCCK-UHFFFAOYSA-N 385.532 2.633 0 40 GFAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3cc(OC)ccc3OC)N2C1=O 16735736 XSFUZZRMMUUWCG-GDBMZVCRSA-N 390.461 2.916 0 40 GFAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2nnc(C)s2)n1C 17079664 NWJDJQIADSBUDN-UHFFFAOYSA-N 390.494 2.772 0 40 GFAB COc1cc(Br)c(CC(=O)OCC(=O)c2ccc[nH]2)cc1OC 17894254 LVRHPERIUJRKDK-UHFFFAOYSA-N 382.210 2.763 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc2ccccc2c1 9606713 IBVGPJZPTNRDNL-KSSFIOAISA-N 397.504 2.975 0 40 GFAB O=C(OCC(=O)c1cc(F)ccc1F)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 95955833 VASSEJFWYCUKAM-UHFFFAOYSA-N 385.322 2.763 0 40 GFAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c(C)c1 89591278 OPAMPEHDGPVBES-LJQANCHMSA-N 375.490 2.965 0 40 GFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H](c1ccccc1F)N1CCOCC1 89813171 RLZWMJABLJZYDP-OAHLLOKOSA-N 399.344 2.545 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1C 408555738 FXMARTBURXOBRY-UHFFFAOYSA-N 396.553 2.957 0 40 GFAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1sc2ncccc2c1N 64370054 ANITZAPNHREJJM-UHFFFAOYSA-N 388.522 2.825 0 40 GFAB O=C(c1cccs1)c1ccccc1C(=O)N1CCN(CCN2CCCC2)CC1 22789769 LWSPCFABDMERSJ-UHFFFAOYSA-N 397.544 2.833 0 40 GFAB CC1=NN(C(=O)c2ccccc2)C2(CCN(C(=O)Cc3cccnc3)CC2)C1 306141858 WILRMPCWHKUZJC-UHFFFAOYSA-N 376.460 2.907 0 40 GFAB COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22362750 XHZHMNNZNKXXDU-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB Cc1nc(CNC(=O)c2cc(F)ccc2N2CCOCC2)nc2ccccc12 518596530 DCLTZUNKOURGSB-UHFFFAOYSA-N 380.423 2.844 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2OC)cc1 409391912 PDYLSYNBYNKRCE-UHFFFAOYSA-N 392.477 2.573 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217665454 OOWRPSGRQIPPGP-KGLIPLIRSA-N 392.477 2.871 0 40 GFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339058 PTNGMKDWGZALSA-NHCDEPBKSA-N 399.535 2.789 0 40 GFAB CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 35291332 SUVBQAVLDAICGQ-FQEVSTJZSA-N 380.471 2.587 0 40 GFAB CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)[C@H]1CSC(=O)C1)C1CC1 35313995 ILTMXNVVFOBAKK-DOMZBBRYSA-N 380.535 2.975 0 40 GFAB COc1cc(OC)cc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)c1 218901133 WCOYYYIVHFSADS-UHFFFAOYSA-N 389.433 2.853 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349686 PNTIDYOTDAYWIC-QGZVFWFLSA-N 383.467 2.926 0 40 GFAB CCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 72321419 WMBUGPQGKXIYKU-WIYYLYMNSA-N 386.423 2.635 0 40 GFAB biogenic,in-vitro COc1cccc(CN2CCCC[C@H]3CN(c4ncnc5[nH]cnc45)C[C@H]32)c1 72399191 SJFLLASDBHRGOA-FUHWJXTLSA-N 378.480 2.852 0 40 GFAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1CO 80351230 WVVFLXLYMPNREC-RBBKRZOGSA-N 394.515 2.943 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccccc1 224680486 VBNZPVJPIAHNRP-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB O=C(O)c1cnc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cn1 530165697 JWRIPZAZCKKHCV-OAHLLOKOSA-N 383.326 2.647 0 40 GFAB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 224696331 ZSWZQQOYIGMCMD-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)c1 224636719 YPPFZDCYYCWSGT-UHFFFAOYSA-N 388.489 2.548 0 40 GFAB Cc1noc(CNC(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)n1 77099348 PXSFFNKEBBLSGM-UHFFFAOYSA-N 392.463 2.557 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc(C)c1 96518291 MLWSAHKFIIKQKA-NSHDSACASA-N 386.638 2.940 0 40 GFAB CSCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1 96232797 GLUQIDHLXGJTBQ-INIZCTEOSA-N 399.524 2.819 0 40 GFAB Cn1ccc2c(NC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)cccc21 96115011 SUCGRTVFMUEXBR-SFHVURJKSA-N 390.443 2.670 0 40 GFAB biogenic Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 95479424 GHPPOMQXGNQFRM-KRWDZBQOSA-N 382.420 2.619 0 40 GFAB Cn1nnnc1COc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 96101401 HICQLVPWZJZLOU-UHFFFAOYSA-N 392.463 2.571 0 40 GFAB COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96228481 HSGRKVMRIIHTOE-VGOFRKELSA-N 385.508 2.757 0 40 GFAB COc1cc(CN2CCOC[C@H](CC(=O)N3CCCC3)[C@H]2C)cc(OC)c1 249691162 LFVBNIYFQRLHNK-AEFFLSMTSA-N 376.497 2.553 0 40 GFAB CC(C)Cc1ncc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)s1 257290784 QEIJEEOLMHYIHA-CYBMUJFWSA-N 380.539 2.938 0 40 GFAB CCn1c(C)nc2cc(C(=O)N[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)ccc21 257327906 XDGUVSWPEGMUIO-NSISKUIASA-N 381.480 2.754 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(Cc2ccnn2C)no1 585084281 YHGMZLZQZOHXNL-INIZCTEOSA-N 381.436 2.770 0 40 GFAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 24704993 UQFQWCVRWJVQQK-HNNXBMFYSA-N 379.420 2.804 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)NCc1ccccc1F 24830616 JFRCUBOAEQUKQD-QFIPXVFZSA-N 395.434 2.829 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@](C)(c2ncc(Cc3cccc(F)c3)o2)C1 257263606 LQSMCUPIVGBJCR-GOSISDBHSA-N 381.473 2.564 0 40 GFAB O=C1Cc2c(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccnc2N1 612847712 FJGZQHOYXWSINM-UHFFFAOYSA-N 390.365 2.557 0 40 GFAB O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N1CCC[C@H](c2nc3ccccc3o2)C1 654637509 KYQOQWPUYUDBPJ-XJKSGUPXSA-N 396.451 2.887 0 40 GFAB CC1(C)CN(C(=O)c2cnc(C(=O)O)cn2)c2cc(Br)ccc21 659198673 HOEAWTZRGCSFCY-UHFFFAOYSA-N 376.210 2.875 0 40 GFAB CN(CCN(C)C(=O)c1scnc1Cl)C(=O)c1cccc(N(C)C)c1 1615611646 NYQPWUSSVYUHFY-UHFFFAOYSA-N 380.901 2.707 0 40 GFAB CO[C@@](C)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1F 96390983 VBFKHIHXNIOHIP-IBGZPJMESA-N 379.453 2.668 0 40 GFAB COc1cccc(NC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1OC 96377669 LIBBFXOQDWTKCY-UHFFFAOYSA-N 394.424 2.533 0 40 GFAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)n2)s1 585262532 DBAZUKUQLVEYCE-OAHLLOKOSA-N 385.493 2.575 0 40 GFAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1cncc(Br)c1 585094025 OQQYRDKNHBIINU-LSDHHAIUSA-N 395.278 2.761 0 40 GFAB O=C1CCc2cc(OCC(=O)Nc3ccccc3N3CCCC3=O)ccc2N1 25457497 KLDPHYXVGJHGGF-UHFFFAOYSA-N 379.416 2.716 0 40 GFAB Cc1nc(-c2ncccn2)sc1C(=O)NCC(=O)N1CCCc2ccccc21 57271536 WYWZYYJFSHGNGR-UHFFFAOYSA-N 393.472 2.618 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 5205236 WRRUROFEEKQBIT-NCXUSEDFSA-N 378.403 2.661 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)N[C@H](C)c4ccccn4)nc(C)n32)s1 12088754 RKPAKBGHQVENBW-GFCCVEGCSA-N 381.461 2.600 0 40 GFAB O=C(N1CC[C@H](CO)C1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088974 MTIXIUPKRYOONW-SFHVURJKSA-N 380.488 2.929 0 40 GFAB CCCCOc1ccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1 12146620 SSHBTXHYXAIGHA-UHFFFAOYSA-N 382.420 2.903 0 40 GFAB Cc1ccccc1CSCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13688807 GMCDERIDZMVAPJ-HDICACEKSA-N 386.517 2.686 0 40 GFAB O=C(Nc1cc(F)ccc1F)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701069 JQXSFEGIMKVDQW-UHFFFAOYSA-N 399.405 2.634 0 40 GFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C1CC1 14142088 PHBOOLJHXWCULU-UHFFFAOYSA-N 393.534 2.648 0 40 GFAB COc1cc2oc(=O)ccc2cc1[C@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O 14589872 GMMHQFAVUZIMEL-RBUKOAKNSA-N 378.421 2.564 0 40 GFAB biogenic,in-vitro C[C@@H](NC(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C)c1ccccc1 15673401 QOULHRGLSPWNTH-CYBMUJFWSA-N 387.436 2.566 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)c1C 18003321 HFFPEROFWITRQW-UHFFFAOYSA-N 387.436 2.528 0 40 GFAB O=C(c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1)N1CCC[C@@H](O)C1 19293793 BGMQHBFNTMPFGB-GOSISDBHSA-N 387.455 2.790 0 40 GFAB Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@@H](C)Cn2nc(C)cc2C)n1 19573682 ZXGICVQQUBJEFS-NSHDSACASA-N 387.431 2.914 0 40 GFAB CCn1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)c3cccc(OC)c3)CC2)n1 19749856 WIJWPCSDLCQAQJ-QGZVFWFLSA-N 384.480 2.679 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccco1 19818336 HFYOHLMJLGODLQ-ZWKOTPCHSA-N 397.431 2.781 0 40 GFAB COc1ccc(Cl)cc1NC(=O)N1CCN(c2cnnc(N(C)C)c2)CC1 206724174 QQDNUUUCKGCLEQ-UHFFFAOYSA-N 390.875 2.559 0 40 GFAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(F)cc1F 206734038 PXYXFHFQJYXRPT-UHFFFAOYSA-N 397.451 2.612 0 40 GFAB COCCCNC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226549 ZLDLNEGAOGJUIM-QGZVFWFLSA-N 378.444 2.658 0 40 GFAB c1ccc2c(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)ncnc2c1 1888890227 MOCZKJIPOLYIMU-UHFFFAOYSA-N 376.464 2.640 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@H]4CN(c5ccccn5)C[C@H]43)c2O1 1889197926 LMNSCCVISNEIKF-ZWKOTPCHSA-N 393.487 2.911 0 40 GFAB COc1ccc(C(=O)NC(=S)N2CCN(c3ccccc3OC)CC2)cc1 1001462 CTISJERZMCJIQA-UHFFFAOYSA-N 385.489 2.541 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1 4165782 ZNPMAPXAJUQXKS-UHFFFAOYSA-N 399.454 2.870 0 40 GFAB CC(C)c1nn(CC(=O)NC2CCCC2)c(=O)c2c1cnn2-c1ccc(F)cc1 13971354 QILRZCXKDIQQCK-UHFFFAOYSA-N 397.454 2.904 0 40 GFAB CCOc1ccc(OCC)c(S(=O)(=O)NCCOc2ccc(F)cc2)c1 22496157 JFFSTQNKNHGUQP-UHFFFAOYSA-N 383.441 2.980 0 40 GFAB Cc1cc(C)n(-c2cc(OCC3CCN(c4ncncc4F)CC3)ncn2)n1 1775970229 IKMBORCQJWSGLK-UHFFFAOYSA-N 383.431 2.504 0 40 GFAB CSc1ccc(CNC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)cc1 35423736 KVQPJHWKSQTIJA-UHFFFAOYSA-N 378.457 2.916 0 40 GFAB O=C(Nc1nccs1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 44226638 PYXBTEHUTSIUQZ-DUXPYHPUSA-N 385.445 2.762 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1C 19214176 QSVMBVZXATYKIJ-MSOLQXFVSA-N 394.519 2.913 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 77184809 GNQXGMHPAMTTNB-OAHLLOKOSA-N 375.899 2.682 0 40 GFAB O=C(CCN1CCC(c2ccccc2)CC1)N1CCN(c2ccccn2)CC1 40062897 UQGALYZQHCBLDQ-UHFFFAOYSA-N 378.520 3.000 0 40 GFAB Cc1sc2nc(-c3ccc(S(=O)(=O)NC4CC4)cc3)[nH]c(=O)c2c1C 50807532 ZXFDETDBSMSEFB-UHFFFAOYSA-N 375.475 2.709 0 40 GFAB O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccccc1OC[C@H]1CCCO1 31533711 FQJGBTIMZVNOEA-MRXNPFEDSA-N 395.415 2.553 0 40 GFAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)C12CCCC2 31820409 IHXNRCLOBUPZMT-HXUWFJFHSA-N 393.487 2.897 0 40 GFAB O=C([C@H]1CN(C(=O)c2cc3c(s2)CCC3)c2ccccc2O1)N1CCOCC1 32788100 OGDODRAMEQJEJA-QGZVFWFLSA-N 398.484 2.503 0 40 GFAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cc(OC)ccc1OC 2703008 CDNHHLCTDDNNFC-BMIGLBTASA-N 376.434 2.525 0 40 GFAB CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 33325592 IHLGJXJKQBIUDR-INIZCTEOSA-N 375.494 2.700 0 40 GFAB COc1ccc(CNC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1 1353402 OUWRUFBYHUWWJO-UHFFFAOYSA-N 383.477 2.696 0 40 GFAB CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3cnn(CCOC)c3)ccc2NC1=O 78950673 KUPMVLUIFDSCAW-WBMJQRKESA-N 387.440 2.522 0 40 GFAB CO[C@H](C)c1noc(CCC(=O)NCC(=O)Nc2cccc3ccccc23)n1 79016266 CJKLEUBQDXMBCL-CYBMUJFWSA-N 382.420 2.618 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2)cc1 2923436 AYZBTWJQMJTFKD-KRWDZBQOSA-N 378.425 2.626 0 40 GFAB CC[C@@H](C)NC(=O)CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 103608119 NGDLYNVUVUHUPB-OAHLLOKOSA-N 399.495 2.930 0 40 GFAB C[C@@H]1CN(C(=O)COC(=O)c2cc(C3CC3)nn2-c2ccccc2)C[C@@H](C)O1 7233480 IIWFWSPVYPMXPB-HUUCEWRRSA-N 383.448 2.542 0 40 GFAB O[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2ccc(F)c(F)c2)C1 100120916 NPVXKNBCAHSKIM-QEEYODRMSA-N 386.446 2.978 0 40 GFAB CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299217 KNSKKFWVERUHCL-HQRMLTQVSA-N 399.564 2.805 0 40 GFAB biogenic,in-vitro COc1cccc(NC(=O)CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)c1 8305798 GLDNOGXGAZKAIX-UHFFFAOYSA-N 376.796 2.788 0 40 GFAB CCOc1cc2c(cc1CNC(=O)Cc1n[nH]c(=O)c3ccccc13)O[C@@H](C)C2 24179773 WRIYPQARCAPXQV-ZDUSSCGKSA-N 393.443 2.504 0 40 GFAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(N2CCCS2(=O)=O)c1 25176575 OTYVAHUVOAUXQJ-UHFFFAOYSA-N 396.472 2.724 0 40 GFAB Cc1nnc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc12 25677055 VHSGQKHSVQYTPX-UHFFFAOYSA-N 376.416 2.629 0 40 GFAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CCOCC1 107507382 XFENMEPYSDOUGB-UHFFFAOYSA-N 384.398 2.853 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@H](C)c1nnc2ccccn12 26276600 DOIMHCHRRPSJLL-OAHLLOKOSA-N 380.452 2.687 0 40 GFAB O=C(Cc1cccc2ccccc12)NCC(=O)Nc1nnc(C(F)F)s1 58166005 UFYPBFKCUJBFKY-UHFFFAOYSA-N 376.388 2.926 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)s1 10299986 QPWBGTNXNNHXKR-UHFFFAOYSA-N 385.489 2.875 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CCC(=O)Nc1nccs1 100753360 QENVYXKBUYTAHY-TZMCWYRMSA-N 396.476 2.501 0 40 GFAB COCCN1C[C@@H](c2cc(O)n3nc(-c4cccc(Cl)c4)cc3n2)CC1=O 100775478 GLXSKXFUFJNJNZ-ZDUSSCGKSA-N 386.839 2.718 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2 2137475 KVCMLNPUHGIRPP-ZWDAVXSWSA-N 380.444 2.667 0 40 GFAB biogenic O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1CCc1ccccc1 2128517 PKDMPKKQKSVHJU-CVDCTZTESA-N 389.455 2.519 0 40 GFAB biogenic O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1ccccc1Cl 51316863 YZKOTSMYFNPXMD-UHFFFAOYSA-N 385.836 2.912 0 40 GFAB CC(C)(C)c1ccc(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 12750556 JHJWUGBZFAKXMH-UHFFFAOYSA-N 385.489 2.913 0 40 GFAB COc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c(OC)cc1Cl 10372278 KZLLZFQNXZUJCS-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB CCCn1nnnc1COC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10816836 ZARSWJWQSJKCTM-UHFFFAOYSA-N 393.451 2.572 0 40 GFAB COc1ccc(NC(=O)CC[C@H]2N=C(O)N(CCc3ccccc3)C2=O)cc1 36593584 MAINIPGPJCBMKS-GOSISDBHSA-N 381.432 2.781 0 40 GFAB CCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20245100 FCNURGMNEUVXRG-UHFFFAOYSA-N 379.457 2.640 0 40 GFAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1nc(C2CC2)cs1 29685569 BXOZJAURZWHJPG-FQEVSTJZSA-N 396.472 2.958 0 40 GFAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)cc1 12891002 NZMZBQPVRUCPMV-ZSEKCTLFSA-N 381.407 2.612 0 40 GFAB COc1ccc([C@@H]2CCCCCN2C(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 8855784 WHRVQSZGFLRCFI-KRWDZBQOSA-N 387.480 2.859 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 12911299 FUWXBGYOBANUNB-INIZCTEOSA-N 394.493 2.759 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 13010484 HURYDUOBXHVKAB-UHFFFAOYSA-N 397.475 2.538 0 40 GFAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccc1Cl 8914849 QAHUGQJISQGGTF-UHFFFAOYSA-N 386.839 2.515 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CCC1CCCC1)n2CC 5112278 GCBRTVOQHWBVRL-UHFFFAOYSA-N 390.484 2.720 0 40 GFAB CCOc1ccc(CCNC(=O)COc2ccc3c(c2)OCO3)cc1OCC 6231664 NFTMZLYVESTCDU-UHFFFAOYSA-N 387.432 2.950 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnn(C)c1-n1cccc1)CC3 72400489 YOUTXTRYYSQSJM-UHFFFAOYSA-N 375.432 2.899 0 40 GFAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 14169982 ATMVTZQBYJCBCD-CQSZACIVSA-N 378.519 2.753 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14196697 QAGRJYMTUYHUME-OAHLLOKOSA-N 397.456 2.593 0 40 GFAB COc1ccc(/C=C/C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC 14186955 RABJNVOFQYRLPT-PKNBQFBNSA-N 379.416 2.612 0 40 GFAB O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@H]1COCCO1 65781978 TZJDDGTVGCXBMJ-OAHLLOKOSA-N 383.231 2.557 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)Nc3ccc(C)c(F)c3)ccc21 6535426 OPTAJXBTIWKAIT-UHFFFAOYSA-N 397.406 2.968 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)NCCSc2ccccc2)cc1 15136853 GRSCAJBDGZAGIY-SDNWHVSQSA-N 390.530 2.794 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCn1c(=O)oc2ccccc21 7312043 FJIJDGSDBFXGBX-UHFFFAOYSA-N 381.432 2.699 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 409376790 CXKYKPVHRWHYPS-ZDUSSCGKSA-N 396.896 2.894 0 40 GFAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8314549 CAOFQAFENXYWQF-NRFANRHFSA-N 380.400 2.628 0 40 GFAB COc1cc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCCO3)cc(OC)c1 9821455 ZUUIIFMRGMNRTG-GQCTYLIASA-N 399.399 2.670 0 40 GFAB CCNC(=O)N1CCC(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 97082151 SZXNLQLCAGOFAT-MRXNPFEDSA-N 378.904 2.619 0 40 GFAB Cc1nc(C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C)nn1-c1ccc(F)cc1 95418729 TXBFUOWOFOFVJJ-OAHLLOKOSA-N 376.432 2.811 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NC[C@H](C)CN2CCCCC2)cc1 95446635 XAFJOGWRKYZJSX-KRWDZBQOSA-N 397.523 2.666 0 40 GFAB Brc1ccc(-c2nnc(Cn3nnnc3-c3ccncc3)o2)cc1 95997508 MZRRPRXMGIHEOL-UHFFFAOYSA-N 384.197 2.596 0 40 GFAB CCC[C@@H](c1ccccn1)N(C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 89949763 BHAHREZIZGBYJJ-KRWDZBQOSA-N 398.463 2.974 0 40 GFAB CCCCSc1nnc(NC(=O)CCC(=O)N2C[C@@H](C)O[C@H](C)C2)s1 27985502 SEROHLPLXXQBPF-VXGBXAGGSA-N 386.543 2.785 0 40 GFAB COC(=O)N1Cc2nnc(-c3ccc(OC)cc3)n2C2(CCN(C(C)C)CC2)C1 306137781 RGFBMRVGERHKPC-UHFFFAOYSA-N 399.495 2.735 0 40 GFAB CCOC(=O)c1c([S@@](C)=O)n(C2CC2)c2c(OC)c(F)c(F)cc2c1=O 35090222 OFSNUKRXXRAPEN-SANMLTNESA-N 385.388 2.537 0 40 GFAB CC(=O)Nc1ccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cc1 77266664 SDNOAKDJBXXYAF-OAQYLSRUSA-N 396.466 2.906 0 40 GFAB biogenic,in-vitro C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1cccc3nccnc13)C2 72347325 CMWSWFRUPGBMQA-HNNXBMFYSA-N 390.491 2.650 0 40 GFAB COC(=O)N1CCN(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)CC1 41690401 VTXJJLTYZGRSCM-OAQYLSRUSA-N 398.503 2.580 0 40 GFAB Cc1ccccc1-c1noc(-c2cccn(CC(=O)NC3CCCC3)c2=O)n1 49002625 KZXMVBWFZROLMI-UHFFFAOYSA-N 378.432 2.933 0 40 GFAB CCCCOc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 224226405 UFNYYZMXUKDUTE-UHFFFAOYSA-N 384.480 2.731 0 40 GFAB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(C)cc1 224683781 VKOUITDRPJCESW-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@@H](C(C)=O)O4 226792928 WRYWOZVGRJAOJE-YSSFQJQWSA-N 396.395 2.716 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 224007761 ORYXXZANDPNPCN-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB O=C(O)C[C@@H]1CCCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C1 576685342 PWQRFIAXOGZRDY-JTQLQIEISA-N 375.256 2.697 0 40 GFAB CSc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c1 223246981 WQLZKKAOBTVFKI-UHFFFAOYSA-N 394.518 2.985 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(NC(C)=O)cc3)n2)c(F)c1 44903765 RJPZALIHLVNSQI-UHFFFAOYSA-N 395.390 2.899 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCC2CCN(C3CCOCC3)CC2)cc1 225564952 MDPDTVVVTAHGFQ-XNTDXEJSSA-N 378.538 2.776 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)Nc1ccccc1F)C2 96237798 VCZVUIRJZHXWKD-NRFANRHFSA-N 382.439 2.781 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@H]1CCc1cnc(-c2c(C)noc2C)cn1 257316813 VHCYUTSKSBDFEU-INIZCTEOSA-N 396.451 2.606 0 40 GFAB CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 254286857 JIMFMNBYOYYMPQ-JYJNAYRXSA-N 399.896 2.794 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)NCC2CCCCC2)Oc2ccc(Cl)cc21 260848668 OUBHPZFOXMEKMT-MRXNPFEDSA-N 386.901 2.564 0 40 GFAB CC(C)(C)n1nnc(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 665862814 MYDQPILPXQDSQI-FQEVSTJZSA-N 389.463 2.753 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 585107292 JPBMLYCKKYUBGV-VQIMIIECSA-N 380.410 2.865 0 40 GFAB Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)n1 585292017 IGQJCHQDGOCJLG-OPUMOTSWSA-N 394.523 2.823 0 40 GFAB Cc1ccc(C2(C(=O)N3CCC[C@@]4(CCN4CC(=O)N4CCCC4)C3)CC2)cc1 585102057 OYKKWGIWJKHDOE-HSZRJFAPSA-N 395.547 2.716 0 40 GFAB Cn1nccc1/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 585290516 XMWQKBIOGUUQCI-XGTLJDLRSA-N 381.476 2.800 0 40 GFAB O=C(NCCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 55105614 QKXVAAHAYNOFIF-UHFFFAOYSA-N 383.467 2.680 0 40 GFAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 5317398 VQWCBZFSMCWDPJ-JOCHJYFZSA-N 394.427 2.670 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)s1 12185716 DQONKYFHUOZWHO-UHFFFAOYSA-N 399.472 2.826 0 40 GFAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccccc1 16479962 DFRRFBIYRGWSNH-UHFFFAOYSA-N 388.489 2.603 0 40 GFAB O=C(Cc1cccs1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19343175 GSNYTEMCEUAVBT-UHFFFAOYSA-N 386.502 2.904 0 40 GFAB CCOc1ccccc1CN1CCc2c(O)nc(N3C[C@H](C)O[C@H](C)C3)nc2C1 19520194 MJHDEYIQPSSNJW-IYBDPMFKSA-N 398.507 2.753 0 40 GFAB Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NC[C@]2(C)CCCO2)n1 19655850 OQIMZAXRWDJAQC-NRFANRHFSA-N 379.464 2.833 0 40 GFAB Cc1ccnn1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 19712814 ONHNBZGIVXFJIT-JQVVWYNYSA-N 398.482 2.774 0 40 GFAB COc1ccc([C@@H](NC(=O)c2cc(C)nc(N3CCOCC3)n2)C2CC2)cc1 19718718 VWGQVPSCBMDJER-IBGZPJMESA-N 382.464 2.511 0 40 GFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCc4cc(Cl)no4)C3)cc2n1 12134394 DRHZPNAFFZXGTI-GFCCVEGCSA-N 389.843 2.724 0 40 GFAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)n1 12227631 ZCHCRWGARMOULP-ZIAGYGMSSA-N 384.548 2.738 0 40 GFAB COc1ccc(CC(=O)N[C@H]2CC[C@H](Oc3ncc(F)cn3)CC2)cc1OC 245015212 LRKZJOYSXVYYKA-WKILWMFISA-N 389.427 2.682 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)c(F)c1 19347402 ZYVJSILHWFMTOZ-UHFFFAOYSA-N 378.407 2.888 0 40 GFAB O=C(CSc1nnc(-c2cccc(Br)c2)o1)NC[C@H]1CCCO1 8280254 KFAJLKAOJGJOJB-GFCCVEGCSA-N 398.282 2.886 0 40 GFAB CCOc1ncccc1C(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@H]2C1 1888875905 GESISFHJCVOCLL-HOTGVXAUSA-N 395.507 2.776 0 40 GFAB Cc1nc(C)c(CN2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)s1 1888876465 UOTXFYPDIHCPLX-QZTJIDSGSA-N 391.562 2.654 0 40 GFAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1c[nH]c2ccccc12 238809935 ABEAXCWUHSRSDO-UHFFFAOYSA-N 383.835 2.972 0 40 GFAB COc1cccc(C(=O)N2CCC(COc3ccccc3)(CC(N)=O)CC2)c1 2037905375 SCLAYOZINYBNTJ-UHFFFAOYSA-N 382.460 2.872 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 6327367 SOOTXZBUSCTSQJ-UHFFFAOYSA-N 379.482 2.880 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1F 8962451 URHPCKVMCKADSA-UHFFFAOYSA-N 378.425 2.934 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2C1=O 9828207 XVBVZNNRIADBMB-UHFFFAOYSA-N 390.461 2.659 0 40 GFAB COc1c2ccc(C(=O)N3CCC[C@@H](COc4ncc(C)cn4)C3)cc2nn1C 1775970360 KOYILKWAHQFVRJ-OAHLLOKOSA-N 395.463 2.612 0 40 GFAB O=S(=O)(N[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1)C1CC1 2086867475 QCPMOCTWUDWURZ-SNVBAGLBSA-N 394.722 2.548 0 40 GFAB Cc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccccc4)c3=O)n2)cc1C 44166574 UXKFYYWOIMVKCN-UHFFFAOYSA-N 399.414 2.692 0 40 GFAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3C)cc1Cl 9212249 WVNDXWOPDMMPLL-UHFFFAOYSA-N 387.875 2.521 0 40 GFAB CN1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)[C@H](c2ccccc2)C1 30029873 OKPMXMGVLDWXFK-NRFANRHFSA-N 377.488 2.938 0 40 GFAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)c12 40135153 QQUVZKRBIKSGLH-YPMHNXCESA-N 397.504 2.731 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(OC[C@H]2CCCO2)cc1 31350072 ZVAKYLDXTMYBMK-LJQANCHMSA-N 383.444 2.988 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)cc1 32124239 SVXYWNZBQBHTTH-GOSISDBHSA-N 377.404 2.771 0 40 GFAB biogenic O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(N2CCOCC2)nc1 32403913 VLRIECKIHCTGNI-LSDHHAIUSA-N 387.402 2.538 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 32768717 SFGDLMBKQGIUNU-INIZCTEOSA-N 381.837 2.781 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 32863265 HYQIELBVKPCDKZ-WMLDXEAASA-N 399.944 2.935 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2cccs2)cc1 32988676 SKGVNEZGACINRQ-INIZCTEOSA-N 392.502 2.593 0 40 GFAB O=C1[C@@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1C1CCCCC1 102894203 NOSACQOJUBBLDO-UKRRQHHQSA-N 377.238 2.870 0 40 GFAB COc1ccc(OCCN(C)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 102930341 ZALULSWROOFOKC-IBGZPJMESA-N 382.460 2.955 0 40 GFAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 808442 SFQHNQFXQVWOPI-GFCCVEGCSA-N 387.871 2.504 0 40 GFAB O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccncc1 866655 HJZVVGUFOGSDAM-TZWRJOPASA-N 395.418 2.619 0 40 GFAB CCc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)COC)s1 1381652 HKOYNIHGIWHKPT-UHFFFAOYSA-N 380.495 2.725 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCCOc3cccc(Br)c3)nc2n1 2660940 ZSIHBJKXZVOVKP-UHFFFAOYSA-N 391.225 2.739 0 40 GFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3)ccc12 2712207 RIEIZBMUDQYVAI-UHFFFAOYSA-N 394.427 2.891 0 40 GFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1 2726576 CCSZUWDTNOXQGP-FQEVSTJZSA-N 385.851 2.732 0 40 GFAB Cn1ncc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)c1C(N)=O 2798912 IXLMQXQZGOQCBG-UHFFFAOYSA-N 390.443 2.839 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2cccc(Cl)c2)sc2c1CCC2 3283836 DRBKROCOAJYALB-UHFFFAOYSA-N 378.837 2.785 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)n(C2CC2)c(=S)[nH]c1=O 3985146 ORPMCKAUIJLIMF-MRXNPFEDSA-N 384.461 2.671 0 40 GFAB biogenic CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc2nc(C)cc(C)n12 5213365 CTZCIXOLNARAMV-UHFFFAOYSA-N 387.465 2.838 0 40 GFAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3OC)CCOCC2)cc1 5353384 OXIZPZZANIGKNO-UHFFFAOYSA-N 398.459 2.507 0 40 GFAB COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N1CCCC1 5630729 WCYWHLZHNXFXPD-UHFFFAOYSA-N 392.452 2.549 0 40 GFAB COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@H]3C[C@H]21 5707328 WMMZYEBFJWWUJX-LFXFZHITSA-N 384.476 2.656 0 40 GFAB O=C(OCc1nnc(-c2ccccc2)o1)[C@H]1CC(=O)N(CCc2ccccc2)C1 6150287 PIQDQXDTPIUCCI-SFHVURJKSA-N 391.427 2.871 0 40 GFAB CCc1ccccc1NC(=O)COc1ccccc1[C@H]1CC(=O)Nc2ncnn21 6605142 GWVJDZLBVXRVQB-QGZVFWFLSA-N 391.431 2.790 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(OCC)c2)C1=O 6648276 BHGRLXXHXOOKGY-GDNBJRDFSA-N 378.450 2.744 0 40 GFAB CN1C(=O)N/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O 6949728 DSWOJEJUVUWBRD-LICLKQGHSA-N 392.390 2.942 0 40 GFAB COc1cc(CNn2cnnc2)cc(Br)c1OCc1cccnc1 7274952 KTWNRXZWEKNCHG-UHFFFAOYSA-N 390.241 2.767 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)CC1 7388582 YLVXHBHKRZKJRR-UHFFFAOYSA-N 381.461 2.612 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)ccc1Cl 8336215 OQUODBAXXQDFIF-UHFFFAOYSA-N 398.802 2.873 0 40 GFAB O=C(CSc1nnnn1C1CCCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 8351646 OQFJFTAFXQDOOM-UHFFFAOYSA-N 388.497 2.717 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 8710307 BMKIUJSQTKKAIX-UHFFFAOYSA-N 389.477 2.792 0 40 GFAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cnc2ccccc2n1 9048279 XWACVMLYMIHXMH-CQSZACIVSA-N 376.416 2.791 0 40 GFAB O=C(NCCCN1CCCC1=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 9595765 KTIAGZWQDYMNCK-FQEVSTJZSA-N 392.455 2.883 0 40 GFAB COc1ccc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 10251983 HMZWQQCLUVCEIS-UHFFFAOYSA-N 389.415 2.592 0 40 GFAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccon1 10333966 BWSBIPYPWOGIEH-SFHVURJKSA-N 378.432 2.720 0 40 GFAB Nc1nnc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)s1 10391654 YRFFULBVGNCNNC-UHFFFAOYSA-N 392.506 2.569 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(SC[C@H](O)COc2ccccc2)nc1 10866812 IYTUSPMZHCRUMY-OAHLLOKOSA-N 396.534 2.644 0 40 GFAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)c1 11696911 RXYGJKRBMUARJI-UHFFFAOYSA-N 380.477 2.948 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)N1CCCc2ccccc21 12146217 KMIQVQKTJSBYSR-HXUWFJFHSA-N 389.455 2.617 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccs2)N1Cc1cccnc1 12324269 BXCASFGAMUQNEQ-PKOBYXMFSA-N 386.498 2.992 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@H](c2cc3ccccc3nc2N2CCOCC2)N1 12540888 RKOMSNLBANWBDO-HXUWFJFHSA-N 399.458 2.517 0 40 GFAB O=c1c2ccccc2cnn1C[C@@H](O)COc1ccc(Br)cc1 12761354 KMRZYTJFRUBGQI-CQSZACIVSA-N 375.222 2.599 0 40 GFAB CN(Cn1nc(Nc2cccc(F)c2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12772247 WXYAPWIXXKLNFS-GFCCVEGCSA-N 388.515 2.633 0 40 GFAB O=C(c1ccco1)N1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 12796897 AFZSBIFADUQJEB-UHFFFAOYSA-N 398.850 2.500 0 40 GFAB CCCc1ccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)cc1 12977951 DJQQRNYAAGYCFK-QGZVFWFLSA-N 398.532 2.797 0 40 GFAB O=C(NCCCOCC1CC1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 13006402 NLQDUKGOIAIGMV-AWEZNQCLSA-N 395.297 2.735 0 40 GFAB C[C@@H](Oc1cccc(F)c1)C(=O)NCCn1nc(-c2cccs2)ccc1=O 13605403 GLVOIDVLUXAICW-CYBMUJFWSA-N 387.436 2.695 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 15497092 QUXCFUJJYYEKQE-IRXDYDNUSA-N 392.908 2.809 0 40 GFAB C[C@@H](NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1)c1ccccc1 15858585 KCAIWAOXLXPABA-CQSZACIVSA-N 386.473 2.880 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 19020315 XLAOIEIMFMGGEP-UTKZUKDTSA-N 395.459 2.582 0 40 GFAB Cc1noc(-c2ccccc2OCC(=O)NCCc2nc3ccccc3n2C)n1 19286111 WCUDLGYVEFBYCF-UHFFFAOYSA-N 391.431 2.669 0 40 GFAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccccc1)CCN(Cc1ccccc1)C2 19286136 TWRZAWCKDPMHGO-UHFFFAOYSA-N 388.471 2.749 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)cs2)CC1 19310118 UUHPCYBVPXRQHS-UHFFFAOYSA-N 385.536 2.872 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H](C)c3ccccc3)ncc2C1 19459262 WOVLKZJCNQTODT-QRWLVFNGSA-N 378.476 2.848 0 40 GFAB C[C@@H]1Cc2cc([C@H](O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 19498025 LRUZEEAIBABYPH-OXQOHEQNSA-N 396.487 2.590 0 40 GFAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1O 20736205 MJCKZIPVMAOFGH-NSHDSACASA-N 391.391 2.685 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(Cl)c2)c(=O)c1=O 22725659 XUINHSAUQRODSC-UHFFFAOYSA-N 399.834 2.690 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](C)c2ccccc2)n(C)c1 23445212 ZMZKOINXFMJRMP-HNNXBMFYSA-N 377.510 2.589 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3ccccc3n2)C1=O 23946256 FRQZOHPLJSOZCK-QFIPXVFZSA-N 388.427 2.823 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1 24051139 LITODZWAJFKNSZ-UHFFFAOYSA-N 393.408 2.587 0 40 GFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C 24972620 TUJYPRKYJUYFHF-APWZRJJASA-N 392.459 2.941 0 40 GFAB Cc1cccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1C 25060207 HIMIWCGJOYVDOW-UHFFFAOYSA-N 375.476 2.787 0 40 GFAB CCCN1CCN(C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1 25664159 SEPRCKIJXKNJLI-UHFFFAOYSA-N 389.521 2.924 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 30230830 NXCGQKFWDTVOGM-IBGZPJMESA-N 391.464 2.898 0 40 GFAB CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 30880771 LZILUPAEBYWYLC-UFYCRDLUSA-N 392.588 2.713 0 40 GFAB biogenic,in-vitro CCOC(=O)Cn1c(=O)n2nc(-c3ccco3)nc2c2c(CC)c(C)sc21 32096167 VNKIETXAOUNMPP-UHFFFAOYSA-N 386.433 2.800 0 40 GFAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CC[C@@H]1NC(=O)NC1=O 32716853 KKEGYDPZGGRSPT-AWEZNQCLSA-N 375.812 2.547 0 40 GFAB C[C@H]1C(=O)N(C[C@@H](O)COc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 32751004 YAXRVBUWCUBTLD-BLLLJJGKSA-N 376.359 2.562 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 32889031 UZJWCXJRMPWRRV-UHFFFAOYSA-N 389.521 2.546 0 40 GFAB COc1ccc(-c2csc(NC(=O)CCNC(=O)[C@H]3C[C@H]3C)n2)cc1OC 32914309 CGEZHHQKOLZDLS-YPMHNXCESA-N 389.477 2.928 0 40 GFAB CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 38772803 FCAVCCZILDQNRB-SFHVURJKSA-N 375.494 2.567 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc(C)cc1 44959448 UCGRISLGOYMOEL-OAHLLOKOSA-N 384.461 2.886 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 48332585 BOGVQDSQNRPPFX-IBGZPJMESA-N 388.489 2.589 0 40 GFAB Nc1nc(N2CCc3ccccc3C2)ncc1C(=O)NCc1ccccc1F 49401524 GSEMJWVZZLGVMY-UHFFFAOYSA-N 377.423 2.691 0 40 GFAB Cc1ccc(CNC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)cc1 49401635 LIUQLRAUCSFWIK-UHFFFAOYSA-N 391.456 2.540 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)N3CCC4(CC3)OCCO4)cc2)C[C@@H](C)O1 50081283 DOWBAGYAQAOLGR-IYBDPMFKSA-N 375.469 2.671 0 40 GFAB NC(=O)[C@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCO1 50859072 WOGBNYDGEAXCFQ-MRXNPFEDSA-N 378.350 2.699 0 40 GFAB CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCN(c2ccccc2F)CC1 57671189 HOTPQSWLTZAJJR-LJQANCHMSA-N 384.459 2.973 0 40 GFAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)ccc1OCC(N)=O 71285706 LTTTWAHAKQMKSR-MRXNPFEDSA-N 390.465 2.928 0 40 GFAB O=C(CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1 72348733 SFAQEQJMMPWKTN-IBGZPJMESA-N 397.494 2.850 0 40 GFAB O=C(CCN1CCC(c2ccc(Nc3ccccn3)cn2)CC1)N1CCOCC1 72374182 XHZUQICRTVCXTN-UHFFFAOYSA-N 395.507 2.649 0 40 GFAB COc1cc(I)c(Cl)cc1C(=O)N(C)CC(C)(C)O 78971277 ZSMYJKWVZMRWJB-UHFFFAOYSA-N 397.640 2.796 0 40 GFAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccccc1OCC(=O)O 95476799 JMFJETDIJPUBEL-OAHLLOKOSA-N 377.422 2.645 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(CC(C(=O)Nc3cccnc3C)=NO2)C1 96226130 BESCBNPMSMVBFN-IBGZPJMESA-N 384.461 2.760 0 40 GFAB CC[C@@](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)(OC)c1ccccc1 96391775 JJTCNXHMDXNIIO-FQEVSTJZSA-N 390.505 2.619 0 40 GFAB COCCn1ccc(NC(=O)Nc2cccc(I)c2)n1 97109209 DKGRYOSDGAHMSD-UHFFFAOYSA-N 386.193 2.778 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 97117830 PDGGTCJWYWDHNW-LJQANCHMSA-N 387.505 2.569 0 40 GFAB Cc1cnccc1C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145917 HWHKOVWUECSGDW-ROUUACIJSA-N 376.460 2.938 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)o2)cs1 102109899 YVVUVZQHHMUNCG-HUUCEWRRSA-N 399.472 2.669 0 40 GFAB Cc1nccn1-c1ccc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1 105714067 WYIUWPPDMCZDBM-UHFFFAOYSA-N 398.470 2.884 0 40 GFAB CC[C@@H](C)NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 107828844 QKENZMIAIVCORO-MRXNPFEDSA-N 390.505 2.946 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)c1 113947286 BYJNCLLKHTYJLV-NSISKUIASA-N 390.549 2.842 0 40 GFAB O=C(COc1ccccc1F)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 207998910 BURRTQNVIRMDIS-HNNXBMFYSA-N 383.379 2.880 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC)cc1 222860284 SKSHLVZCMWJVDY-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB O=S(=O)(NC[C@H](c1ccsc1)N1CCC1)c1ccc(-n2cccn2)cc1 225594873 LJTQNJUWIJUISZ-GOSISDBHSA-N 388.518 2.659 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc23)cc1 225696180 GMPXMJAEGHDVBJ-QGZVFWFLSA-N 390.486 2.872 0 40 GFAB CN(Cc1ccccc1F)C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225942828 YHPYUDVBCAYAEJ-QGZVFWFLSA-N 382.432 2.604 0 40 GFAB COc1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(OC)c1 244325079 XKQINVJESRCZBL-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)C1 253491961 OJQQEOSMJARWOM-BBWFWOEESA-N 379.526 2.764 0 40 GFAB COCC(=O)N1CCC2(CC1)C[C@@H](Cc1cccc(F)c1)N(CC(C)C)C2=O 257278728 ODKDRCAMBLTZFE-LJQANCHMSA-N 390.499 2.880 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1C 408609538 TYICHUFTDFTCBV-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB O=C(O)c1cnc(C(=O)N2CCN(CCC34CC5CC(CC(C5)C3)C4)CC2)cn1 520229256 HQGYDPHEFOTXEI-UHFFFAOYSA-N 398.507 2.539 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cc1F 575620486 UNMIIISMUHBMRD-UHFFFAOYSA-N 379.438 2.831 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 583652540 AEXJTUPAZXZRHG-QAPCUYQASA-N 380.444 2.860 0 40 GFAB CO/C(=C\c1ccccc1)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO 585079489 ZNRUOTNHLCFBPV-NBOCOGBRSA-N 380.488 2.947 0 40 GFAB COc1ccc(CN2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 585103321 BFSFJWLLXRWMTC-HSZRJFAPSA-N 380.488 2.946 0 40 GFAB O=C(Cc1cccc(F)c1F)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108795 JUMVHNUNPNXFIQ-BBTUJRGHSA-N 388.414 2.878 0 40 GFAB CCN1CCN(C(=O)CCN)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183567 BNXBRJFRCPFZEZ-LJQANCHMSA-N 397.494 2.691 0 40 GFAB Cc1ccc2[nH]cc(C(=O)O)c(=NCc3cccnc3N3CCOCC3)c2c1 649385058 IAMLYUSGDMTANU-UHFFFAOYSA-N 378.432 2.507 0 40 GFAB C[C@@H](NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1nccn1C 660634900 WMQPVMGCZJAPPE-KGLIPLIRSA-N 377.439 2.723 0 40 GFAB CNC(=O)c1ccn([C@@H]2CCCN(c3nccc4cc(OC)c(OC)cc34)C2)n1 663824580 DOUXQHJEKPGILA-OAHLLOKOSA-N 395.463 2.650 0 40 GFAB Cc1cccn2cc(CCNC(=O)[C@H](c3cccc(F)c3)N3CCOCC3)nc12 673724970 MDHCUSSTSNTHSR-FQEVSTJZSA-N 396.466 2.514 0 40 GFAB CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1c(C)cnn1CC1CC1 1116313406 VYPWCOBUVBVVIN-IBGZPJMESA-N 397.454 2.908 0 40 GFAB Cn1ccnc1CNc1ccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cc1 1626673377 XTYFGNYPMBNDBT-UHFFFAOYSA-N 390.447 2.726 0 40 GFAB O=C(CCc1ccccc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775985988 NIXFATYZVJSFTG-UHFFFAOYSA-N 379.504 2.994 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841142 XZQRHYFMGKGLAO-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB COCCNC(=O)C1(Nc2nccs2)CCN(Cc2cccc(C)c2)CC1 2055739031 ISXQGAFOIQVSRJ-UHFFFAOYSA-N 388.537 2.661 0 40 GFAB CCn1c(SCc2nc(N)nc(Nc3ccccc3OC)n2)nnc1C1CC1 8529374 QKJXSKGGQRAJQA-UHFFFAOYSA-N 398.496 2.987 0 40 GFAB CCc1c(C)sc2nc(S[C@H]3CCCCNC3=O)n(CCOC)c(=O)c12 12271445 OCQGJISUHKAEFD-ZDUSSCGKSA-N 395.550 2.736 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2cccc(C)c2)NC(=O)N3)cc1 12346238 DPYFLILBNHZQQQ-FQEVSTJZSA-N 377.444 2.697 0 40 GFAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC 959022 NKSKABAWRBBZPU-CYBMUJFWSA-N 379.214 2.511 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@H]3C)nnc12 1331716 KEOBYSDIFRKULG-CYBMUJFWSA-N 385.493 2.557 0 40 GFAB COc1cc(CN(CC(=O)Nc2nncs2)C2CC2)ccc1OC(F)F 53139198 UORNHJWNALKPDJ-UHFFFAOYSA-N 384.408 2.751 0 40 GFAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C1CCN(Cc2csc(C)n2)CC1 79072385 ZRLBBZUGUWXFKJ-QZTJIDSGSA-N 393.553 2.902 0 40 GFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 3194520 HQQJUEUHOFHVFM-UHFFFAOYSA-N 386.408 2.977 0 40 GFAB Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1F 12488227 AQTUYLNIKVOLMS-ZDUSSCGKSA-N 376.453 2.775 0 40 GFAB COc1cccc(CNC(=O)Nc2ccccc2SCC(N)=O)c1OC 47516700 SRSSINJKAGHABE-UHFFFAOYSA-N 375.450 2.603 0 40 GFAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1)c1ccccc1 6680512 UCADLEAUFSLVGS-UHFFFAOYSA-N 379.459 2.572 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)ccc21 7323941 KHYPBNGIDGSNCO-UHFFFAOYSA-N 385.489 2.997 0 40 GFAB COc1ccc(C)cc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O 8215724 PPJLWGRYQRWFQB-GOSISDBHSA-N 377.444 2.949 0 40 GFAB CCn1nnc2cc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)ccc21 23151386 ZTDTVGVRVXQPBH-SFHVURJKSA-N 379.420 2.821 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 102088190 BIKOHLLBMQDSFE-SHTIJGAHSA-N 391.265 2.807 0 40 GFAB COCCN(Cc1ccccc1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 23597644 DPZJSNJPNFONCT-UHFFFAOYSA-N 384.520 2.994 0 40 GFAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC[C@@H]1COCCO1 54618456 LDDNBSSUQANPQK-CQSZACIVSA-N 386.395 2.903 0 40 GFAB CCOC(=O)CCCNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3295902 APBMUPMSEFPXHU-UHFFFAOYSA-N 376.236 2.539 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)C1CC1 84325622 ILPLZQKGHWRKIS-GOSISDBHSA-N 397.523 2.700 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OCC(N)=O 56160746 BPQFAWIUTHKTOQ-NSHDSACASA-N 377.828 2.652 0 40 GFAB O=C(c1cccs1)N1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 12686463 LJPMBALDPRVWHL-UHFFFAOYSA-N 398.937 2.633 0 40 GFAB Cn1cnnc1-c1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cc1 58169346 ZIXUWCSSMHVECL-HDICACEKSA-N 385.468 2.674 0 40 GFAB CN1C(=O)c2ccc(NC(=O)NCc3cccnc3OC3CCCC3)cc2C1=O 58217151 UXCVCHVYXKFESM-UHFFFAOYSA-N 394.431 2.951 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2100664 WONDFFZYEUQHTE-XIKOKIGWSA-N 375.421 2.738 0 40 GFAB biogenic Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)c(C)c1 104174602 RYVFXXUJONFDDV-BQJUDKOJSA-N 399.450 2.900 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 12897093 QOJRGPGLXQMNOE-MRXNPFEDSA-N 396.422 2.951 0 40 GFAB CC(=O)c1ccc(OCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1 58371830 PNAYBZUOKMXGDV-UHFFFAOYSA-N 392.337 2.646 0 40 GFAB O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cccc[n+]1[O-] 58423285 FBPRSQNYSNXVTM-SFHVURJKSA-N 376.391 2.980 0 40 GFAB Cc1csc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)n1 27973608 YRYSETWMLSAETR-UHFFFAOYSA-N 395.286 2.982 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 29505858 BQCRIXCKSUZKHP-QGZVFWFLSA-N 389.496 2.743 0 40 GFAB NC(=O)COC(=O)c1ccccc1SCC(=O)N[C@@H]1CCCc2ccccc21 2658727 MGMXTSVWWYXTFV-QGZVFWFLSA-N 398.484 2.615 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCOCC2(C)C)c(C)c1C 63658636 HVBDJKAHYWVQQW-UHFFFAOYSA-N 396.553 2.535 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c(OC)c1 6566645 RDKUMGHHCYCQIK-UHFFFAOYSA-N 383.356 2.606 0 40 GFAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 4656020 HUQYMURPYRQUKO-UHFFFAOYSA-N 395.488 2.784 0 40 GFAB O=C1N[C@H](c2ccsc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 6667776 ICEPCWLFVBBDPY-OPQQBVKSSA-N 376.381 2.914 0 40 GFAB CCCCC[C@H](C)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 4711127 XFUAPFCRZPZMCN-KRWDZBQOSA-N 393.503 2.576 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408547868 OCDBFOPZQRJXEN-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)N[C@H](C)c2ccccc2)c(=O)c1CCO 67300408 JFPOTRSOTHTOCW-MRXNPFEDSA-N 391.471 2.631 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2nc3nc(C)cc(C)n3n2)c1 15544124 ZIQJYHGYAOTQOX-INIZCTEOSA-N 381.436 2.736 0 40 GFAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 7777036 QNJBRWHUVSHFDF-IBGZPJMESA-N 378.428 2.946 0 40 GFAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnc2n(c1=O)CCS2 8278111 OXOGBTBOGZQGRF-UHFFFAOYSA-N 395.469 2.978 0 40 GFAB CCOC(=O)c1cc(CC)sc1NC(=O)CNc1ccccc1C(N)=O 9548525 UKSXZIKLTLPGAN-UHFFFAOYSA-N 375.450 2.637 0 40 GFAB Cc1nc(N2CCN(C(=O)Nc3ccccc3C)CC2)c2c(n1)c(C)nn2C 28557491 RENWDBXAYFMADJ-UHFFFAOYSA-N 379.468 2.643 0 40 GFAB Cn1c(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc2ccccc21 20744441 UHMNLSQONWKXIF-UHFFFAOYSA-N 379.435 2.845 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCc1cccs1)C2=O 23483467 XVAZGUJOSUSNCO-BFUOFWGJSA-N 377.510 2.544 0 40 GFAB Cc1nn([C@H](C)CCNS(=O)(=O)c2cnn(C(F)F)c2)c(C)c1Cl 36614978 GFMSTTITRRXLFS-MRVPVSSYSA-N 381.836 2.675 0 40 GFAB CCN(CCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1c(F)cccc1F 32668160 NRYUVXSHNGWIMA-UHFFFAOYSA-N 387.386 2.521 0 40 GFAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980169 XYSBGIGSRLQMHN-AWEZNQCLSA-N 387.263 2.731 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2Cl)Oc2ccccc21 38833803 XUWHCIKYYXRAET-MRXNPFEDSA-N 380.853 2.896 0 40 GFAB COc1ccc(CCC(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1 49372128 PEHZTDFULFPEQZ-UHFFFAOYSA-N 392.503 2.859 0 40 GFAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21 40478615 LRQJZIPFJWRHAO-UHFFFAOYSA-N 395.459 2.775 0 40 GFAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccccc1I 226694398 ALWHPSLTCNMERY-DMTCVQMQSA-N 379.197 2.993 0 40 GFAB CCCC[C@H](CC)CNC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224554437 SWYJCLVCOZFGKB-HNNXBMFYSA-N 380.510 2.944 0 40 GFAB CCOc1ccccc1CNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222440197 WZDCMMLXNYTRRC-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB CN(Cc1cccnc1)C(=O)CCNC(=O)c1cc(F)ccc1Br 48183157 AQTCVIFTYJDHEW-UHFFFAOYSA-N 394.244 2.762 0 40 GFAB COc1nn(C)cc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200367 OYLVYKDBQDXMFS-CABCVRRESA-N 390.415 2.858 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2Cl)c1 223793156 OKPSCTIOLGLPOR-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB O=C(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccncc1 96112469 MKEUSUGTEPNJHZ-ZDUSSCGKSA-N 376.338 2.951 0 40 GFAB biogenic,in-vitro Cc1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)ccc1NC(=O)CC(C)C 585082492 YRWRRDQDPJZFCU-AWEZNQCLSA-N 380.510 2.675 0 40 GFAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)C[C@H](OC(C)=O)[C@@]21O 253489174 DEXUKJJEUCWGLM-ZQONDGBOSA-N 386.444 2.683 0 40 GFAB CC[C@H](C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 585138454 RQVUGGZDLFPGNQ-HNNXBMFYSA-N 399.495 2.983 0 40 GFAB COc1ccc(C)cc1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257211031 BXGBRCXNWKJGHV-RXVVDRJESA-N 396.487 2.718 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 260926403 IUOHOPJYZFOIJT-MRXNPFEDSA-N 386.517 2.982 0 40 GFAB C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)c1ncc(Br)cn1 624112415 WVDPTAILOGBTJT-ABAIWWIYSA-N 391.269 2.741 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCC(n2nnc3ccsc3c2=O)CC1 390828411 AXIHEIGJZXZWQQ-UHFFFAOYSA-N 397.485 2.940 0 40 GFAB O=C(NC[C@@](O)(c1ccoc1)c1ccco1)C1(c2ccccc2)CCOCC1 390826513 NEFRUZKRUYXECY-JOCHJYFZSA-N 381.428 2.973 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(c2ccc3ccc(Br)cc3n2)C1 811725961 MPNHMGQVWGOACH-CYBMUJFWSA-N 384.299 2.515 0 40 GFAB C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)CC(=O)N1Cc1ccccc1 664808724 AHUNTKSRFYAREC-GYCFBVLLSA-N 393.462 2.953 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 585106722 GMPDJDMPKZERML-ZJSXRUAMSA-N 392.499 2.861 0 40 GFAB COc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 66677411 UVAIBDYFEVDVBA-UHFFFAOYSA-N 382.460 2.803 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 12145790 LQVWFXMHUDNVNB-HKUYNNGSSA-N 397.519 2.782 0 40 GFAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2C 12558784 SPNVRBCYEHMRHJ-VHEBQXMUSA-N 389.502 2.540 0 40 GFAB COc1ccccc1C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 13101111 YBNWTGWJOUFIGO-MBWAJUJLSA-N 385.460 2.896 0 40 GFAB C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 19497119 WTRUZKVVUMXTPP-HUUCEWRRSA-N 395.507 2.597 0 40 GFAB CCc1oc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1CN1CCOCC1 19521498 QTRHZGFIIGSDOE-FQEVSTJZSA-N 397.519 2.803 0 40 GFAB CN(C)CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694211 YUFRBTCEHGFJFZ-OAHLLOKOSA-N 385.487 2.616 0 40 GFAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC1CCOCC1)C2 643574822 SVYRGGOZZYOPNF-UHFFFAOYSA-N 390.524 2.993 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2cccn2C)CC1 21152700 MQOZYYCIPAEBPT-SFHVURJKSA-N 394.441 2.762 0 40 GFAB CC1(C)CN([C@@H](CNc2ccc(C(=O)O)nn2)c2ccc(Cl)cc2)CCO1 582423289 QELMTICSLQEZON-INIZCTEOSA-N 390.871 3.092 0 40 GFAB Cc1ncnc(OC[C@]23CCC[C@@H]2CN(c2ccc4nnc(C)n4n2)C3)c1C 1888906490 RICTYMDCQNOPRB-OXQOHEQNSA-N 379.468 2.525 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(Cc4csc(C)n4)CC3)nc(C)n2)n1 1889149348 HPPGHWPIHBKYPI-UHFFFAOYSA-N 383.525 2.675 0 40 GFAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br 261765250 ODRCPLLUNCVTRQ-JTQLQIEISA-N 382.663 2.730 0 40 GFAB COc1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](c3ncon3)C2)c1 238859838 KLNSLCDGFPRJDD-MSOLQXFVSA-N 385.445 2.650 0 40 GFAB COc1ccc(Cl)c(C(=O)N2CCC3(CC2)c2ncccc2C(=O)N3C)c1 1565553995 IQGZVICYZCEJPQ-UHFFFAOYSA-N 385.851 2.961 0 40 GFAB CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 2711051 JHRRJZZBZJAQFM-ZIAGYGMSSA-N 384.885 2.946 0 40 GFAB C[C@H]1CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2S1 4435915 AOPGWTRFSRVWRE-ZDUSSCGKSA-N 384.457 2.949 0 40 GFAB O=C(/C=C/c1cccs1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147177 UEFSZJYBOGKWOG-PCAWENJQSA-N 380.267 2.994 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c(O)n2n1 22855224 GFMMMTRHVPSSLF-OAHLLOKOSA-N 394.447 2.883 0 40 GFAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cn2)C[C@@H](C)O1 30038026 ZCKVZCWIDNKTCI-HZPDHXFCSA-N 381.480 2.943 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 40062907 GVMIQQVNEAUTAY-VQIMIIECSA-N 375.488 2.669 0 40 GFAB CCCn1c(SCCCN2C(=O)NC(C)(C)C2=O)nnc1-c1ccncc1 40089639 XANGGYWANMMXQW-UHFFFAOYSA-N 388.497 2.563 0 40 GFAB O=C(CCc1nc(-c2ccncc2)no1)N1CCCN(Cc2cccs2)CC1 40089153 MTSVBPJGDCUIQB-UHFFFAOYSA-N 397.504 2.860 0 40 GFAB COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl 20454569 NXMPGUMINLVBIC-MRXNPFEDSA-N 396.852 2.514 0 40 GFAB CCc1ccc(N2C(=O)N(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 20581500 AHBXBHKZHVWMMF-MOPGFXCFSA-N 388.464 2.996 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(F)cc4Cl)[C@@H]3C2=O)cc1 101167067 PRSJIFVAKDZPGC-HOTGVXAUSA-N 388.786 2.981 0 40 GFAB O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1)NC1CC1 32778449 CKYPZNXRGLMZHO-UHFFFAOYSA-N 377.278 2.983 0 40 GFAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCc2ccccc2C1 2467685 CVMKJDKDTJBRNY-KRWDZBQOSA-N 390.530 2.734 0 40 GFAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OC)cc1OC 2703000 QRCVBVJQOVSKST-BONVTDFDSA-N 376.434 2.525 0 40 GFAB COC(=O)c1sc2ncn3nc(-c4ccc(Cn5cccn5)o4)nc3c2c1C 2791210 XRDSIAFOVZGNJS-UHFFFAOYSA-N 394.416 2.939 0 40 GFAB CCC(CC)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372926 XHXZITWPUGCZSW-UHFFFAOYSA-N 398.415 2.537 0 40 GFAB Cc1csc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1 3405538 YVAGCELVZODSFW-CQSZACIVSA-N 388.580 2.892 0 40 GFAB CCN(CC)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 3475357 XTLYYCSCLARTON-UHFFFAOYSA-N 394.427 2.821 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)ccc1Br 3487624 GZCBGHXETLZJLQ-CYBMUJFWSA-N 382.258 2.663 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)nc2)sc(C)c1C 3519084 KUJMJEIJLQGXFC-UHFFFAOYSA-N 382.825 2.995 0 40 GFAB O=C(O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 4062246 RXQOJHKVIPLLIW-UHFFFAOYSA-N 398.469 2.869 0 40 GFAB COc1cccc(OCc2nnc(SCC(=O)N3CCC[C@H](C)C3)n2C)c1 4161340 RETLNNMTZWIFJE-AWEZNQCLSA-N 390.509 2.753 0 40 GFAB Cc1ccc(C(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 4231140 UAHGWJMMCWJSCX-UHFFFAOYSA-N 394.427 2.590 0 40 GFAB CCOC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1cc(C)on1)C(F)(F)F 4336763 MRHIQZBVMPXNCZ-MRXNPFEDSA-N 385.342 2.955 0 40 GFAB COc1ccc(N2C(=O)N(c3cccc(C)c3C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4387463 RCDXQGIDBCMNIK-RBUKOAKNSA-N 386.473 2.924 0 40 GFAB CCCCNC(=O)CSc1nnc(CCc2ccccc2)n1CCOC 4419084 BTXRPYMEUQTRDJ-UHFFFAOYSA-N 376.526 2.718 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 4695446 GBFSKAQQSCLYNF-UHFFFAOYSA-N 382.526 2.839 0 40 GFAB O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 4998506 YKMRNMHCPVXIQJ-HXUWFJFHSA-N 389.411 2.790 0 40 GFAB COc1ccc(Br)c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 5102309 RWIWIACNAXXBBX-UHFFFAOYSA-N 390.189 2.868 0 40 GFAB O=C(COC(=O)c1ccc(I)cc1)NC1CCCCC1 5113097 DLRQMPDTEUAMKO-UHFFFAOYSA-N 387.217 2.897 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc(Cc3cccs3)n2C)cc1 5580405 BZVLZSJPWHROIZ-UHFFFAOYSA-N 388.518 2.885 0 40 GFAB CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc(C(N)=O)c1C 5718893 LZGIEHIZVYCEJN-UHFFFAOYSA-N 376.434 2.983 0 40 GFAB O=C(CN1CSCC1=O)Nc1ccc(Br)c(C(F)(F)F)c1 6851903 DRSHJWSOTKZXQD-UHFFFAOYSA-N 383.189 2.939 0 40 GFAB COc1ccccc1CCC(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 7429302 YRFLXSSBXOLLFF-CQSZACIVSA-N 376.453 2.718 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCCC1 7709769 NCXJGWGQWISWQE-UHFFFAOYSA-N 391.331 2.612 0 40 GFAB COc1ccc2c(C)c(CC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc2c1C 8490981 OPWREEZWFZKTLR-GOSISDBHSA-N 381.428 2.811 0 40 GFAB biogenic COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810771 LBSDGLPIACEFCT-NSHDSACASA-N 384.404 2.530 0 40 GFAB CCCc1nnc(NC(=O)c2nn(-c3ccc(OCC)cc3)ccc2=O)s1 9206151 VRXRIIZSCJSOAM-UHFFFAOYSA-N 385.449 2.688 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nnc(N)s2)nc1C 9227590 GQWXBTFXQQLEEG-SSDOTTSWSA-N 387.512 2.571 0 40 GFAB Cc1ccc(C)c(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 10233788 NZQRPAKQCQAIBD-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB COc1ccc2cc(C(=O)NCc3ccc(CS(N)(=O)=O)cc3)ccc2c1 10706874 CNFFVKZFNLRRFV-UHFFFAOYSA-N 384.457 2.567 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)c(OC)c1 11584527 YSWKUTVJCVPDDO-SFHVURJKSA-N 386.423 2.936 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)n1 12086755 YRCGHODQYRARHJ-JTSKRJEESA-N 396.491 2.635 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)c1 12420781 LQPAUOMOUBDJNJ-IBGZPJMESA-N 382.445 2.749 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)C12CC3CC(CC(C3)C1)C2 12680099 WIAUFQKVZAQHPG-MQFHNONPSA-N 399.491 2.768 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cn1 12805911 VIEWUBGLZSSWNP-UHFFFAOYSA-N 397.262 2.906 0 40 GFAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(CCCC)C2=O)c(OC)c1 12916608 FELSGHGLQGTCLY-ZITAYMCYSA-N 390.480 2.969 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)[C@@H]2COc3ccccc3C2)cc1OC 13257266 WFVOYHYASFCENQ-JKSUJKDBSA-N 385.416 2.587 0 40 GFAB Cc1csc(CC(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1 14169199 RLYLCOVYTYKLRC-UHFFFAOYSA-N 375.519 2.529 0 40 GFAB CN(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 17370937 GYPIYCKUPBCFLJ-UHFFFAOYSA-N 398.937 2.869 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)NCCOc2ccc3ccccc3c2)cc1 17743902 DJNBKJSZCPHTSL-UHFFFAOYSA-N 385.445 2.688 0 40 GFAB CC(C)c1nc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)n[nH]1 19453448 MAMFWMCNNPGSHI-MBOZVWFJSA-N 385.487 2.699 0 40 GFAB COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19696195 ABMBYBYYZRJEGA-GOSISDBHSA-N 394.475 2.574 0 40 GFAB O=C(CC1CCN(C(=O)C[C@H]2CCCO2)CC1)NCCc1ccccc1F 19748418 BFRBZFNEVFTXAW-GOSISDBHSA-N 376.472 2.682 0 40 GFAB O=C1C[C@@H](C(=O)O)c2c(nc(Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)N1 19961313 PMPDCEXADMPHOY-CQSZACIVSA-N 392.371 2.816 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccccc2)cc1 20068771 RTUQKAFUTSYXLN-ROUUACIJSA-N 395.488 2.671 0 40 GFAB CC[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 20458158 ATVSOBRVEPDXHY-SFHVURJKSA-N 376.478 2.729 0 40 GFAB CCOC(=O)[C@@](NCc1ccccn1)(NC(=O)c1ccccc1C)C(F)(F)F 20792397 UTUHHMNJFLLBJU-GOSISDBHSA-N 395.381 2.731 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 22327933 KHORZLJRNKBAAC-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1cc2ccccc2oc1=O 22765832 BINMPSMGUXJCGE-KRWDZBQOSA-N 384.457 2.658 0 40 GFAB COc1ccc(-c2noc(CS(=O)(=O)c3ccc(F)cc3)n2)cc1OC 23125821 PKWIISNULRVSCX-UHFFFAOYSA-N 378.381 2.867 0 40 GFAB CC1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 24609683 XFMLWTCJSPVIFN-UHFFFAOYSA-N 382.501 2.626 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NC[C@H](c3ccsc3)N(C)C)CC2=O)c1 25332375 XTQVTWQQDOECBN-CRAIPNDOSA-N 387.505 2.529 0 40 GFAB COc1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 26780939 HNNUHKGIGFXJNI-GOSISDBHSA-N 376.884 2.911 0 40 GFAB CC(=O)N1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)Oc2ccccc21 30057241 WPNNJFNYOLVBBL-QFIPXVFZSA-N 393.487 2.581 0 40 GFAB CC(=O)c1cccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c1 32642912 BEQDKYVBHVJCBB-UHFFFAOYSA-N 376.416 2.921 0 40 GFAB CCc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N1CCOCC1 32795985 WKKUMKWFJUCGIN-UHFFFAOYSA-N 392.452 2.661 0 40 GFAB Cc1nc2c(cc1C(=O)NCCc1cc(F)cc3c1OCOC3)c(C)nn2C 32921854 BEPKNSALHRHEOK-UHFFFAOYSA-N 384.411 2.563 0 40 GFAB O=C(Cc1noc(C(=O)NCc2ccccc2Cl)n1)NCc1ccccc1 36359888 FRUNUBWMIBUIDZ-UHFFFAOYSA-N 384.823 2.512 0 40 GFAB COC(=O)CNC(=O)c1cc(C2CC2)nc2onc(-c3cccc(OC)c3)c12 36619161 SYFHSZQFIJQCFX-UHFFFAOYSA-N 381.388 2.679 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1cccs1 36622734 GPBYLLXZMXDHPK-INIZCTEOSA-N 384.498 2.549 0 40 GFAB CC(=O)N1CCCc2cc(C(=O)CN3CCN(c4ccccc4)CC3)ccc21 36741264 XQFRLPPGMZGACV-UHFFFAOYSA-N 377.488 2.991 0 40 GFAB CC(C)NC(=O)CN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 37195941 XZWCHFYNSSLODL-MRXNPFEDSA-N 396.535 2.575 0 40 GFAB Cc1ccccc1O[C@H](C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 38771700 WOXHYQJVUNHTBP-OAHLLOKOSA-N 388.489 2.602 0 40 GFAB Cc1cc(C)nc(-n2ccc3nc4nc(C)nn4c(-c4ccccc4)c3c2=O)n1 38828698 XCUIMSOSXIQABP-UHFFFAOYSA-N 383.415 2.811 0 40 GFAB Cc1cc([C@@H]2CCCN2C(=O)NC[C@H](c2cccs2)N2CCOCC2)on1 43101010 DUQNICCLGWUNLH-JKSUJKDBSA-N 390.509 2.965 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 44776475 VTDATRRODHYHNY-MGPQQGTHSA-N 376.503 2.649 0 40 GFAB COCCOc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1C 47593696 ULJNTSKNJXMZEK-INIZCTEOSA-N 398.550 2.663 0 40 GFAB O=C([C@H]1Cc2ccccc2CN1Cc1nc(-c2ccccn2)no1)N1CCCC1 48273404 ALCMZPCYVRUBME-LJQANCHMSA-N 389.459 2.681 0 40 GFAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCN(C)S(C)(=O)=O 48369067 QEHARTGENPDBEX-SNVBAGLBSA-N 399.365 2.872 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c1 51357029 VKHACGCQCAHVHT-UHFFFAOYSA-N 377.780 2.931 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 54530777 JNUHBHBYHIEDGS-UHFFFAOYSA-N 387.867 2.887 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OCC(N)=O 56160713 VALCJGNCRWSOKC-NSHDSACASA-N 377.828 2.652 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)C1CCCCC1 57318558 IGPLGSMFCCPBAZ-JOCHJYFZSA-N 383.492 2.951 0 40 GFAB COc1ccc(CCN2CCN(c3ncc(Br)cn3)CC2)cc1 58108764 MVEBLSMHTMPODD-UHFFFAOYSA-N 377.286 2.612 0 40 GFAB Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)c2)cs1 58282676 FTUPQGYZZZCLDK-OAHLLOKOSA-N 394.522 2.664 0 40 GFAB CC1(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CCCC1 58369598 QBOMBABSHGMQIU-UHFFFAOYSA-N 379.526 2.868 0 40 GFAB COc1ccc(CNC(=O)CSc2nc3ccccc3n3cnnc23)cc1 64948930 KMFDWNIHUJFPJD-UHFFFAOYSA-N 379.445 2.695 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)c1 65197786 FFDYUFZVELZWCL-UHFFFAOYSA-N 396.422 2.998 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)Nc1ccc(F)cc1 71195217 WBJUKCLQUWMPGV-MRXNPFEDSA-N 379.457 2.570 0 40 GFAB O=C(NC[C@H](NC(=O)c1ccnc(Cl)c1)C1CC1)c1ccnc(Cl)c1 72060135 MBLQDXDEXLYTPV-ZDUSSCGKSA-N 379.247 2.722 0 40 GFAB O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(Cc2ccccc2)CC1 79475525 VZTKWCGCPQEXHQ-SFHVURJKSA-N 399.926 2.691 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H](CO)Cc2ccccc2)c(Br)c1 84131210 XIBVLZOAUSXNGS-OAHLLOKOSA-N 398.322 2.887 0 40 GFAB CN1CCOc2ccc(NC(=O)C[C@@H](CC(=O)O)c3cccs3)cc2C1=O 90607320 VNEMOBBXGXVSDW-LBPRGKRZSA-N 388.445 2.800 0 40 GFAB C[C@@H](O)CN1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C[C@H]1C 95406053 TWFYDXYNIKKSTJ-CHWSQXEVSA-N 394.422 2.755 0 40 GFAB C[C@H](CNC(=O)c1c[nH]c2cccc(Br)c12)CN1CCCC1=O 95449149 YTDIYGYYCGARPB-LLVKDONJSA-N 378.270 2.919 0 40 GFAB O=C(OCc1ccccc1)C1CN(c2ccc3nnc(-c4ccccc4)n3n2)C1 95941785 CQAIEKGUZZRCAG-UHFFFAOYSA-N 385.427 2.971 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CCO1 96006496 SVQSBWKZNYGDPA-NRFANRHFSA-N 389.455 2.797 0 40 GFAB Cn1cncc1CN1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12 96241345 UHZZAUQJCCPWDI-UHFFFAOYSA-N 379.508 2.990 0 40 GFAB COCC(=O)N1CCC(c2nc3ccc(NCc4ccccc4)cn3n2)CC1 96267300 XZLXTEXIGIIFJS-UHFFFAOYSA-N 379.464 2.694 0 40 GFAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 96791845 SITMESKQNIDTSX-QGZVFWFLSA-N 385.851 2.569 0 40 GFAB C[C@H]1N=C(O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O 97531340 VNAPRRWSCGCQEY-LLVKDONJSA-N 380.429 2.975 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N(CCO)CCO 118915695 IEQZBQLFRAVFHT-XWRAWWFBSA-N 377.569 2.965 0 40 GFAB in-vitro O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](c2cccc(Cl)c2)C1(CO)CO 218472805 FUCYFRQVLPNFRG-CVEARBPZSA-N 387.284 2.904 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(C)=O)cc1 222973065 LPIANVQSQXKIDE-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223543710 YXVGUNLHDNVKBB-QGZVFWFLSA-N 396.487 2.944 0 40 GFAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1 223587756 QUTYVZCQTFHLPY-UXHICEINSA-N 394.500 2.846 0 40 GFAB CCOc1ccc(OCC)c(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)c1 224272595 ZWNLHXQXKMWQJT-UHFFFAOYSA-N 392.481 2.675 0 40 GFAB CCn1cc(Cl)c(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)n1 225764587 TVUURMTUZUAWLF-UHFFFAOYSA-N 387.856 2.653 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 225827405 JJKPQVCLLCYHHM-LLVKDONJSA-N 384.404 2.767 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cn1nccn1)c1ccccc1 240122528 WBQCUYRCBYFVGN-OAHLLOKOSA-N 392.868 2.660 0 40 GFAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)c(O)c1 257202583 AMLZNMNCHFCXIN-HMXCVIKNSA-N 399.491 2.724 0 40 GFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257238477 HLDQBCFPGWKEDS-VYDRJRHOSA-N 379.455 2.943 0 40 GFAB O=C(Cn1ccnc1)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1 257247667 IZZTYJCCGCGXHG-IEBWSBKVSA-N 375.856 2.766 0 40 GFAB Cn1nccc1C(=O)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306129400 IBZUDSDBGIYAIQ-FQEVSTJZSA-N 398.470 2.848 0 40 GFAB CC(C)N1C[C@@]2(CCN(Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O 306135325 ONOXRBPMQKUDIE-FQEVSTJZSA-N 387.505 2.518 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1C 408560332 OMTVMDZUMJVISU-QGZVFWFLSA-N 394.537 2.807 0 40 GFAB CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408709738 HCDDBMBMMCXQEY-UHFFFAOYSA-N 397.475 2.870 0 40 GFAB CCNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 408970907 AKPRKVXGFLAATM-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB Cc1ncc(CC(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)s1 575605645 GNEJUYLZEUOBBE-MRXNPFEDSA-N 382.482 2.522 0 40 GFAB CC(=O)N1CCC[C@H](C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)C1 579309833 MBMLLIVEUJILOA-SFHVURJKSA-N 388.899 2.824 0 40 GFAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2ccc(CO)cc2)CC1 583615871 HQUQQOJKUWRCCU-UHFFFAOYSA-N 387.480 2.594 0 40 GFAB COc1c[nH]c(=NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)cn1 585083529 VLAHPTCGNSIQIJ-UHFFFAOYSA-N 383.857 2.540 0 40 GFAB CCn1cc(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)c(-c2cnn(C)c2)n1 585085866 IXEXQAWKHCPSON-UHFFFAOYSA-N 397.483 2.830 0 40 GFAB CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(O)C1)C2 585107258 RWQUHVOKMFAIJD-XWTGJVNOSA-N 380.492 2.691 0 40 GFAB O=c1ccc(-n2cccn2)nn1CC1CCN(Cc2cc(F)ccc2F)CC1 585501260 DPFIITYDWOEGBZ-UHFFFAOYSA-N 385.418 2.619 0 40 GFAB O=c1cc2c(nn1CC1CCN(CCc3ccc4c(c3)CCO4)CC1)CCC2 585503121 UZEXMDYYTZTCJQ-UHFFFAOYSA-N 379.504 2.622 0 40 GFAB COc1ccccc1NC(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440807 GDMZNMYSPXYICR-LBPRGKRZSA-N 393.241 2.933 0 40 GFAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCC(N4CCCOCC4)CC3)c12 627738450 YYEKUIIDCIPDIL-UHFFFAOYSA-N 386.496 2.982 0 40 GFAB Cc1nn(CC(=O)N(Cc2ccc3[nH]ccc3c2)Cc2cccs2)c(=O)n1C 629640172 GBLQDWNMOWFACV-UHFFFAOYSA-N 395.488 2.662 0 40 GFAB CCn1ccnc1[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2)CC1 1552589179 RFVUNDNZQUENCQ-OALUTQOASA-N 386.471 2.859 0 40 GFAB O=C(CN1CCC[C@@](O)(COc2ccccc2)CC1)NCc1ccc(F)cc1 2037916231 XNSQRZQEOBTFKJ-QFIPXVFZSA-N 386.467 2.738 0 40 GFAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 703720 GUDWLCMQQMODQI-SECBINFHSA-N 382.301 2.617 0 40 GFAB Cc1ccc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)cc1 1256312 SUYXETIKTZXIJO-UHFFFAOYSA-N 378.457 2.931 0 40 GFAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Cl)n2Cc1ccccc1 1429425 HRDOCLVEAWYEGD-UHFFFAOYSA-N 380.835 2.647 0 40 GFAB biogenic COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 2376014 OXTLFALYAFIBEC-UHFFFAOYSA-N 391.403 2.677 0 40 GFAB COc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)C(=O)O2)cc1 2920536 SDYHZADGUNRNDE-YVLHZVERSA-N 395.367 2.890 0 40 GFAB COc1cc2c(cc1OC)CN(C(=S)NCc1ccc3c(c1)OCO3)CC2 3348296 HEXYMJJHOCJLML-UHFFFAOYSA-N 386.473 2.865 0 40 GFAB CC(C)CCNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 3352086 LEGXCJLBKUNUCI-JXMROGBWSA-N 376.478 2.934 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 3368681 FASICBUZIINKCO-UHFFFAOYSA-N 385.807 2.691 0 40 GFAB Cn1cccc1C(=O)NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 3426600 VGVOSUZPVDBGHY-UHFFFAOYSA-N 381.461 2.532 0 40 GFAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 3432075 XXDAWHXZSKYFLO-JOCHJYFZSA-N 394.427 2.725 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)cc2)c1 3435979 ZVVQNHBRELIOBQ-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB O=C(COC(=O)c1cc(Br)ccc1O)NCCc1ccccc1 4808140 CDIOKWVAVOKJFN-UHFFFAOYSA-N 378.222 2.670 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1 4945372 IPHZZOZVNBQWCV-UHFFFAOYSA-N 377.447 2.820 0 40 GFAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)c1c[nH]c2ccccc12 5204426 DIISMCZOLPYTQQ-ZIAGYGMSSA-N 380.400 2.924 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 5242215 IIVSGLAGBKLNIF-KEYYUXOJSA-N 380.391 2.955 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 5976291 CDDNEWYDRWXUNO-UHFFFAOYSA-N 375.425 2.786 0 40 GFAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCC(=O)N(C)C)c1 6365397 ZNPPVSLFBGWDTH-UHFFFAOYSA-N 397.406 2.932 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cs1 6681566 WORWVFXQSVNJQV-UHFFFAOYSA-N 390.870 2.579 0 40 GFAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)C1=O 6880205 SPYFUFYISZCYAB-FQEVSTJZSA-N 398.488 2.958 0 40 GFAB COc1cccc(/C=c2\s/c(=C\C(=O)c3ccc(Cl)cc3)n(C)c2=O)c1 7716872 JBNWPXFOINKCLK-ZAORYEFMSA-N 385.872 2.601 0 40 GFAB Cc1cccc2c(=O)[nH]c(CSc3nnc(NC[C@H]4CCCO4)s3)nc12 8216432 WNOPGEPADVQQRJ-LLVKDONJSA-N 389.506 2.966 0 40 GFAB O=C(CSc1nnc(C2CC2)n1C1CC1)NC[C@@H]1COc2ccccc2O1 8250283 QBKWSQOLPRZGRB-CQSZACIVSA-N 386.477 2.539 0 40 GFAB COc1cccc([C@H](CN[C@H](CCO)C(=O)O)c2c[nH]c3ccccc23)c1OC 8749707 PIOBKZPTFFDGSU-PKOBYXMFSA-N 398.459 2.742 0 40 GFAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cccc(Cl)c1 9844480 NKXSQSCDSCQYEM-UHFFFAOYSA-N 389.864 2.542 0 40 GFAB CCN(c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1)S(C)(=O)=O 10010026 WTAQCUNXBZRVOL-UHFFFAOYSA-N 376.478 2.510 0 40 GFAB O=C(NC[C@H]1CCCO1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 10490592 QTMFRKTYLYQLOY-MSOLQXFVSA-N 395.488 2.791 0 40 GFAB Cc1ccc(-c2nc(C(=O)NCc3ccc(S(N)(=O)=O)s3)cs2)cc1 11204838 HMHSHNMRFDSZRT-UHFFFAOYSA-N 393.515 2.757 0 40 GFAB O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 11694101 YVXVFQJPBZOPBL-UHFFFAOYSA-N 399.491 2.559 0 40 GFAB Cc1ccc([C@H](C)C(=O)N2CCC[C@H](Cn3nnc4c(O)nc(C)nc43)C2)cc1 12085006 DIZHSBYCOYFBEW-HOCLYGCPSA-N 394.479 2.586 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)COc3cccc(F)c3)CC1)O2 12225825 HYDZWDVQIMXRND-UHFFFAOYSA-N 398.434 2.697 0 40 GFAB CC(C)N1CCC(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 12441394 QCBAOEZTHMGXBT-UHFFFAOYSA-N 387.402 2.760 0 40 GFAB O=C(COc1ccccc1F)NCc1ccc(-c2nn3cnnc3s2)cc1 12651742 DYIIAUWPXRXLLK-UHFFFAOYSA-N 383.408 2.687 0 40 GFAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 12730279 YPHRYLCGRWNTAE-LLVKDONJSA-N 397.547 2.512 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 12772847 LMGBTYHXSAGBAB-QGZVFWFLSA-N 376.478 2.569 0 40 GFAB Cc1cc(N2CCN([C@H](C)C(=O)NCc3ccc(F)cc3)CC2)nc(C(C)C)n1 12819537 LPFXOPVPNYNGBS-QGZVFWFLSA-N 399.514 2.874 0 40 GFAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)c2ccc(C)c(C)c2)C1=O 12845754 HMMJMDMFGSLTGC-UHFFFAOYSA-N 380.400 2.880 0 40 GFAB COCCNC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 12899683 VALOLJGUDXVYOJ-UHFFFAOYSA-N 389.448 2.519 0 40 GFAB biogenic CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1=NNC(=O)CC1 12915307 LLNMRUIHUCXDGU-UHFFFAOYSA-N 387.443 2.764 0 40 GFAB COc1cc(CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(OC)c1 12982896 YLYKWXUWSIITPN-UHFFFAOYSA-N 381.432 2.532 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(F)c(F)c1 12995551 BPHIAXIUGKOIIN-LLVKDONJSA-N 380.416 2.778 0 40 GFAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(F)cc1 13042178 HEXZVCZXKAKGSX-LLVKDONJSA-N 397.372 2.991 0 40 GFAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)n1 13570021 QBSBERMUBGQXDT-UHFFFAOYSA-N 388.276 2.956 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccc(O)cc2)N1Cc1ccncc1 13692957 JGPXKHCCVWZLNC-PZJWPPBQSA-N 396.468 2.636 0 40 GFAB COc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccco2)cc1OC 14139711 KVGYNBBGZRUWNG-ZDUSSCGKSA-N 378.450 2.787 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 14241891 HTKIGYTVFHQDJV-INIZCTEOSA-N 376.503 2.952 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 14707902 LKZCJHJTCIACQC-UHFFFAOYSA-N 394.880 2.832 0 40 GFAB COc1cccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)c1 15858272 PJAHBAXSLLSCLN-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB Cc1nc(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)nn1-c1ccc(F)cc1 16398338 ZEZIIOMQVFFXBJ-CYBMUJFWSA-N 388.443 2.957 0 40 GFAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(C(C)C)n1 18059127 UUCIDFKGTDNABQ-UHFFFAOYSA-N 396.463 2.698 0 40 GFAB COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4C)C3=O)c2c1 18088211 MTCYSBNJEWTUMO-IBGZPJMESA-N 377.444 2.949 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)[C@@H](C)c4ccccc4)[C@H]3C2)cc1 19211700 QKAVXMPGMXDMDM-OFCAXSSNSA-N 398.528 2.924 0 40 GFAB O=C(CCN1CCOCC1)NCCc1nc(-c2ccc(Cl)cc2)cs1 19336889 SHZPJWLPOAMEEH-UHFFFAOYSA-N 379.913 2.845 0 40 GFAB CNc1cc(CNC(=O)c2cccc(OC)c2OC)nc(-c2cccnc2)n1 19592252 DMZJJDNADZBSQX-UHFFFAOYSA-N 379.420 2.528 0 40 GFAB CC(C)[C@@H](CNC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCOCC1 19662292 QDFMIXLLWFBIQK-OAHLLOKOSA-N 384.402 2.668 0 40 GFAB COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 19682193 JQEGWQHPFDNFMD-UHFFFAOYSA-N 375.402 2.550 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2oc(C)nc2C)n1 19698319 NUTGYNWMGSJTSF-IBGZPJMESA-N 383.496 2.724 0 40 GFAB O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2c1CN(CCc1ccccc1)CN2 19938920 NQQBHNCYJUOUIN-UHFFFAOYSA-N 382.851 2.607 0 40 GFAB COc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccc(C)cc23)C1=O 21035115 DZPPHJJXECWPPS-GOSISDBHSA-N 377.444 2.949 0 40 GFAB CC(=O)Nc1nc(COC(=O)CCc2nc(-c3ccsc3)no2)cs1 22018196 RZZWLQWFXFHNDB-UHFFFAOYSA-N 378.435 2.889 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccccc1C)S(C)(=O)=O 22326986 PSXVSCMCRNQHTI-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB O=C(CC1(C(=O)OCc2nnc(-c3ccccc3)o2)CCCC1)N1CCOCC1 22380435 HTAOKGHMPHHZJR-UHFFFAOYSA-N 399.447 2.589 0 40 GFAB C[C@@H](Cn1cccn1)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 24806798 PEPYVTNPZILLFR-HNNXBMFYSA-N 379.464 2.528 0 40 GFAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 25490023 LWMURAROLXCOGT-LJQANCHMSA-N 383.448 2.556 0 40 GFAB COc1cc(C(=O)Oc2ccc(C(N)=O)cc2)cc(OC)c1Br 25978918 YYBLMNZLHXATHJ-UHFFFAOYSA-N 380.194 2.784 0 40 GFAB COc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC 26779414 MKNCECXWKFKXAE-GZTJUZNOSA-N 379.441 2.691 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 27741674 WDCISGBUKXYGOF-QGZVFWFLSA-N 377.504 2.660 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(C(C)C)cc2)c1 31646079 LQFSAPUJQKSOLO-UHFFFAOYSA-N 390.505 2.885 0 40 GFAB O=C(Cc1cccc2c(=O)cc(-c3ccccc3)oc12)OCCN1CCOCC1 31771616 PEIYHJNHFSCZHR-UHFFFAOYSA-N 393.439 2.878 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2sc(C)nc2C)N2CCOCC2)cc1 32668051 JAICHCOVUWJCIB-QGZVFWFLSA-N 375.494 2.572 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n1 33163537 ITJISPHUSPBRBQ-CQSZACIVSA-N 377.397 2.520 0 40 GFAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)n1 35290106 NBFYOUDOTXJJAI-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 36079784 BTVBFIDQRLWCRK-FQEVSTJZSA-N 387.505 2.760 0 40 GFAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(-c2cccs2)n[nH]1 38679672 XIHPGPVWZAUVRS-GWCFXTLKSA-N 390.490 2.875 0 40 GFAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N2CCCC2)CC1 40049847 PEPYVZOCGILGAT-OAHLLOKOSA-N 391.466 2.732 0 40 GFAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(NC(N)=O)c3)c2)n1 40151988 ZKZPZLCERNASLS-UHFFFAOYSA-N 377.404 2.742 0 40 GFAB CN1C(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2S1(=O)=O 40155141 OWHFAYKDCXCBPO-UHFFFAOYSA-N 384.335 2.732 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 42384761 XFBXOPCQPTWSOT-QGZVFWFLSA-N 397.450 2.605 0 40 GFAB Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3nnc(C4CC4)s3)nc2s1 44893475 NKFWNWMPYYDVDR-UHFFFAOYSA-N 393.519 2.894 0 40 GFAB C[C@H]1CN(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)C[C@H](C)O1 45740876 TZOHNPICBZCYML-RYUDHWBXSA-N 376.881 2.798 0 40 GFAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCC(=O)Nc1ccc(F)cc1 46086382 GECMKFWQIKCKJN-UHFFFAOYSA-N 391.830 2.744 0 40 GFAB O=C(CNC(=O)c1ccc(Br)s1)NCCc1ccc(F)cc1 48180179 SEKDKMWFWXALGG-UHFFFAOYSA-N 385.258 2.738 0 40 GFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)N(C)C1CCCCC1 48309171 QXFYNTMTYVAXOB-AWEZNQCLSA-N 388.555 2.592 0 40 GFAB Cc1cccc(OCCN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 48313366 JOHLBYHMZNSFBM-UHFFFAOYSA-N 377.462 2.856 0 40 GFAB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 56357626 BUROAOAENXIOPO-AWEZNQCLSA-N 377.441 2.614 0 40 GFAB CCCN1CC[C@H](CNC(=O)N2CCc3cc(OC)c(OC)cc3CC2)C1 56729818 SXEGHZTZADSEPV-MRXNPFEDSA-N 375.513 2.546 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 57478762 DCABVFWUTTYAHJ-UHFFFAOYSA-N 381.816 2.676 0 40 GFAB COCCn1nnnc1[C@H](CC(C)C)N1CCN(c2cccc(C)c2C)CC1 57670069 LZCYPTNTDQXJKD-FQEVSTJZSA-N 386.544 2.846 0 40 GFAB COc1ccccc1OCC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58201081 IEHABOITIRBCEN-CQSZACIVSA-N 376.403 2.995 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]([C@@H]3CCOC3)N3CCCC3)ccc12 58381194 OLPVDYOPQWIQJH-QAPCUYQASA-N 385.464 2.724 0 40 GFAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 64311608 RGDHVOIRGLIZTE-HNNXBMFYSA-N 396.415 2.980 0 40 GFAB Cc1c(C(=O)N(C)CC2CCN(C)CC2)nnn1-c1ccc(OC(C)C)cc1 66838326 LDAPUNWPVKQORG-UHFFFAOYSA-N 385.512 2.777 0 40 GFAB O=C(C[C@@H]1OC(=O)c2ccccc21)NC[C@H](c1cccc(F)c1)N1CCOCC1 69407886 BJGNPMZASKLNBO-UXHICEINSA-N 398.434 2.617 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@H](O)C(F)(F)F 72288842 IHISSILHHJSEJQ-QWHCGFSZSA-N 380.794 2.524 0 40 GFAB COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)c1 72363085 JPCYJIGTUWQSFW-INIZCTEOSA-N 393.447 2.880 0 40 GFAB CCCC(=O)N1CCc2[nH]c([C@@H]3CCCN3Cc3ccsc3)nc(=O)c2C1 72398789 KDNFGEKXEKQWQB-KRWDZBQOSA-N 386.521 2.853 0 40 GFAB Cc1nc(-c2ccc(N3CCN(C(=O)CSC4CCCC4)CC3)nc2)no1 90558833 WUYDLMWGWXTCSR-UHFFFAOYSA-N 387.509 2.764 0 40 GFAB O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@]2(O)CCCC[C@@H]2C1 95421492 VISKTPKFJIXYHX-FZKQIMNGSA-N 396.281 2.988 0 40 GFAB Cc1cccc(N2C[C@]3(CCN(S(=O)(=O)c4cccs4)C3)CC2=O)c1 96238542 WDRZARPRLKNFOR-GOSISDBHSA-N 376.503 2.874 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1 97379682 ANYSJIHHNIPBJS-UHFFFAOYSA-N 382.464 2.998 0 40 GFAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3ccccn3)CC2)nn1C 100687608 KYUAHIKVBKCZOJ-HDICACEKSA-N 397.523 2.839 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1 100707226 HMEFWBBNVCXWGL-DLBZAZTESA-N 397.822 2.580 0 40 GFAB COc1ccc(OC)c([C@H]2N=c3c(sc(=S)n3-c3ccccc3)=C(O)N2)c1 102803617 RPACCNXYWDHHNN-INIZCTEOSA-N 399.497 2.831 0 40 GFAB COc1ccc(-c2ncc(CN3CCN(CC(C)C)[C@H](CCO)C3)cn2)cc1 104297420 ODIRTPBJLMZIEG-HXUWFJFHSA-N 384.524 2.677 0 40 GFAB COc1ccc(CCNC(=O)NCCn2ccn3nc(-c4ccco4)cc23)cc1 206752015 GMFQBDUZXPYIEL-UHFFFAOYSA-N 393.447 2.946 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225413980 APVAQUYRUPYDOJ-KRWDZBQOSA-N 388.489 2.935 0 40 GFAB Cc1cc(OC2CN(C(=O)c3ccc(Br)o3)C2)cc(=O)n1C1CC1 252548601 QFZUTEPQRAVTJR-UHFFFAOYSA-N 393.237 2.751 0 40 GFAB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc2ncsc2c1 253473028 RBVVYRBMSGDRFG-HNNXBMFYSA-N 381.413 2.746 0 40 GFAB CNC(=O)c1sc2nc(C3(C)CCN(c4cnccn4)CC3)ccc2c1N 257245523 IPXURFHJSXROLM-UHFFFAOYSA-N 382.493 2.586 0 40 GFAB Cc1cc(C)n2ncc(CN3C[C@@H]4[C@@H](CC[C@@]4(O)c4ncccc4C)C3)c2n1 257367379 DWDVNOSIESYJLT-KPLVRAHFSA-N 377.492 2.779 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(CCc3ccccc3)C[C@H]1C2 306138055 RNUSJYDWUFQHLY-RTBURBONSA-N 387.487 2.877 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)c1 390829811 GUENGJDABXKQRM-INIZCTEOSA-N 399.559 2.915 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1I 408814821 QGZQFSWOAOMOPT-POHAHGRESA-N 375.187 2.966 0 40 GFAB COC(=O)c1ccc([C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C(F)(F)F)cc1 548175574 SFYNAHORAUIPCH-PMPSAXMXSA-N 399.413 2.955 0 40 GFAB O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@@H](N2CCCC2=O)CC1 566665226 ACYJXUVGQMOPKZ-HXUWFJFHSA-N 399.535 2.921 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575617586 UYCBLVYBYVXYQR-JTQLQIEISA-N 388.415 2.892 0 40 GFAB CCCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N[C@H](C)CC)cc2)CC1 585083309 PMKDGZXVNWXTKP-OAHLLOKOSA-N 382.526 2.531 0 40 GFAB CC(=O)N1Cc2ccccc2C[C@@H]1c1nc(CCCn2ccccc2=O)no1 585084123 ZLXVQTBJHFEZGF-GOSISDBHSA-N 378.432 2.510 0 40 GFAB C[C@H](NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148173 QHWXFNGLTDYWPM-HNAYVOBHSA-N 378.428 2.974 0 40 GFAB O=C(c1cc[nH]n1)N1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290972 YMNLTPRQDGIPAA-NSHDSACASA-N 392.341 2.893 0 40 GFAB CC(C)(C)n1nnc(CNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)n1 654039276 XVDCBLBZCDJINK-UHFFFAOYSA-N 392.876 2.922 0 40 GFAB CC1CCC2(CC1)NC(=O)N(Cc1nc(C3(c4ccncc4)CCC3)no1)C2=O 656032860 UMSHJYDSEFDAAF-UHFFFAOYSA-N 395.463 2.935 0 40 GFAB Cc1nc2c(o1)CCC[C@@H]2CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 1553525207 GQZJIQDIOGRJQQ-MRXNPFEDSA-N 385.439 2.917 0 40 GFAB CC(=O)Nc1c(C)ccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)c1C 1616547683 QBZDZHBIUYKDHJ-UHFFFAOYSA-N 380.408 2.504 0 40 GFAB O=C(Cc1c(O)ncnc1O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 1634714857 APACQVBKAJBXEJ-CQSZACIVSA-N 396.216 2.599 0 40 GFAB Cc1ccc(OCC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1C 1775986122 WEIUKQBFCFSYDI-UHFFFAOYSA-N 381.476 2.980 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1 828353 VXQCVXDCZUGIEF-UHFFFAOYSA-N 384.457 2.908 0 40 GFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1 892611 BDLYIVHHINLIET-UHFFFAOYSA-N 388.474 2.829 0 40 GFAB COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(Cl)cc3)noc2=O)c1 1332604 OMLTUZDEPHLDLT-UHFFFAOYSA-N 389.795 2.813 0 40 GFAB NC(=O)COc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 1426987 KAHGQFOWPYYDOR-UHFFFAOYSA-N 382.441 2.603 0 40 GFAB COC(=O)CSCc1nc(OCC(F)(F)F)cc(OCC(F)(F)F)n1 2525738 SSZHSRAUOJJYEL-UHFFFAOYSA-N 394.293 2.765 0 40 GFAB Cc1noc(C)c1COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 3288420 TVKKKHZCDIQVIC-UHFFFAOYSA-N 396.440 2.962 0 40 GFAB C[C@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)NC(N)=O 3361215 LPPPUMGNQKOMNM-LBPRGKRZSA-N 382.372 2.752 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1OC 3374117 XEBHLAREJULDFT-NRFANRHFSA-N 382.416 2.662 0 40 GFAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3393711 WDZAYACUFLJFKI-UHFFFAOYSA-N 385.464 2.547 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)c1 3474018 KAWYUNAVUMAWOO-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)C(N)=O 3490439 AKJAPKMOXBMWHZ-SNVBAGLBSA-N 391.399 2.953 0 40 GFAB C[C@@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C[C@@H](C)O1 3490916 WRQPQMROKKRBMT-CHWSQXEVSA-N 378.523 2.878 0 40 GFAB Cc1ccc(/C=C/c2cc(C)c(S(=O)(=O)O)cc2N)cc1S(=O)(=O)O 3844580 ZYOMVBUICUCBHS-AATRIKPKSA-N 383.447 2.549 0 40 GFAB CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CCOC 4169154 BRYFGVOEHVYTRR-UHFFFAOYSA-N 378.498 2.561 0 40 GFAB CNC(=O)NC(=O)[C@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 4252102 ATSABYFYWDPKER-MRXNPFEDSA-N 381.461 2.553 0 40 GFAB CCOC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1cc(C)on1)C(F)(F)F 4452588 ZKKYPQKXZQTTLG-INIZCTEOSA-N 385.342 2.576 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc1C 4511093 CKDHGTDXLYPGHV-LLVKDONJSA-N 391.424 2.759 0 40 GFAB c1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccs2)cc1 4568169 KVRUJHYRGOBOGA-UHFFFAOYSA-N 391.460 2.684 0 40 GFAB CCOC(=O)N1CCC(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 4778497 ODXCNSHRNZVKAK-HTWSVDAQSA-N 395.544 2.691 0 40 GFAB Nn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccc(F)c1 4877109 YEKICEKQCGJUMU-UHFFFAOYSA-N 391.859 2.860 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 4878239 HJQYUYCNNYPOHK-LLVKDONJSA-N 375.475 2.844 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 4965621 ZFRDNNMFCBHDOT-MRXNPFEDSA-N 381.432 2.976 0 40 GFAB COCCNC(=S)N1CCN(c2nc(-c3ccc(C)cc3)cs2)CC1 4967076 GQDHSWUCZODSJY-UHFFFAOYSA-N 376.551 2.761 0 40 GFAB COc1cccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 4982890 AJCMXGUVOLEBKG-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB O=C(CSc1nc2nc(O)[nH]c(=O)c2s1)Nc1ccc(F)c(Cl)c1 4987596 YMKUPKRHQGDISR-UHFFFAOYSA-N 386.817 2.609 0 40 GFAB CSc1nnc(C2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)n1C 5001359 WZFNSAQGFDWNNZ-UHFFFAOYSA-N 387.509 2.558 0 40 GFAB CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)CN2CCSC2=O)cc1 5277980 DKNHJLTUDVHWQF-AWEZNQCLSA-N 378.494 2.774 0 40 GFAB NC(=O)c1c(NC(=O)CSc2nncn2-c2ccccc2)sc2c1CCC2 5621799 RMCHRDOZIZXFLJ-UHFFFAOYSA-N 399.501 2.647 0 40 GFAB COc1cccc(C2=NN(C(=O)c3ccc(O)cc3)[C@@](O)(C(F)(F)F)C2)c1 5745910 AZMGFMGDUINRMD-KRWDZBQOSA-N 380.322 2.902 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c1C 5934492 WVEBYIGBRLKDSR-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Br)cc2)n1C 6973058 GZRFOKYAEYGOOY-VIFPVBQESA-N 397.298 2.786 0 40 GFAB COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 7004317 DWVISTGBPWQUSJ-SNVBAGLBSA-N 390.856 2.839 0 40 GFAB COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 7061553 LHHIXUYRGKAGFK-UHFFFAOYSA-N 397.500 2.704 0 40 GFAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NC(=O)NC1CCCC1 7313395 TUBOEGRABPWQMD-UHFFFAOYSA-N 396.472 2.893 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(C)s3)ccc21 7442476 ZFMMCKZCMKRLNV-UHFFFAOYSA-N 383.520 2.534 0 40 GFAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8570086 FRKVNNFEEZPFJN-VIFPVBQESA-N 390.745 2.880 0 40 GFAB COc1ccc(CNCc2ccc(CN3CCOCC3)cc2)c(OC)c1OC 9387983 FKKGDWZBURRZHX-UHFFFAOYSA-N 386.492 2.834 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 12203657 VJCPAESDNBZILW-PGRDOPGGSA-N 395.459 2.718 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C3CCC(=O)CC3)C2)C1 12365362 XRUDCZJJSKQYJF-QFIPXVFZSA-N 384.476 2.548 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1F 12746229 OSIUXOXMQFTNRS-UHFFFAOYSA-N 394.468 2.567 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1F 12872999 QSMOWRUFKLNQBF-LBPRGKRZSA-N 392.452 2.766 0 40 GFAB Cc1cc(C)cc(OCCSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)c1 13013356 SNFAKKYHTDGAEJ-CQSZACIVSA-N 381.523 2.505 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 13151690 FMJOKPRBXJEFND-WIRSXHRWSA-N 376.449 2.630 0 40 GFAB Cc1cccc(CCC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1 13227633 JIELUKYLKOAFJM-UHFFFAOYSA-N 386.459 2.786 0 40 GFAB O=C(NCCOc1ccc(F)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13234896 NQMYXOHDKFFHSF-GOSISDBHSA-N 385.395 2.681 0 40 GFAB Nc1nc(CSCC(=O)NC2CCCC2)nc(Nc2ccc(F)cc2)n1 15495946 NXQLJFDUZNTCQT-UHFFFAOYSA-N 376.461 2.629 0 40 GFAB COc1ccc([C@@H](NC(=O)COC(=O)c2c(C)noc2N)c2ccccc2)cc1 15513454 OOYJUOMNADVGAH-IBGZPJMESA-N 395.415 2.636 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 15917125 UBODCNXRCRMIAJ-QGZVFWFLSA-N 383.473 2.895 0 40 GFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 16188237 MWDDUMNGPBVQRJ-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)CC(=O)NCc1ccco1 16340542 FWVYEXUCSKAEET-LBPRGKRZSA-N 383.370 2.874 0 40 GFAB CCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)n1 19522491 PLGICVPIRPGZQR-HNNXBMFYSA-N 387.480 2.738 0 40 GFAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)o1 19559233 ZFDNEUCJNXQZKE-QRTHJKPMSA-N 380.448 2.839 0 40 GFAB Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)[C@@H]2CC=CCC2)n1 19697301 KVGUDWUQZWNHCI-GOSISDBHSA-N 378.476 2.730 0 40 GFAB Cc1ccc2cc(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)[nH]c2c1 19709259 GJKOMFQYHNGYIM-QGZVFWFLSA-N 392.507 2.576 0 40 GFAB c1ccc(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCNCC5)C3)cc2)nc1 19709365 JKCZQEUQQJZGMJ-HXUWFJFHSA-N 388.519 2.865 0 40 GFAB CCOc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245542 QKWGHBJRIRVMQX-UHFFFAOYSA-N 377.466 2.580 0 40 GFAB CCCN1C(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1 20590592 RFLSOWDFLDASGE-QGZVFWFLSA-N 379.338 2.967 0 40 GFAB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C)cc1C)N(C)CC3)OCO2 20609808 NDSOZXBGCLRDAR-GOSISDBHSA-N 393.447 2.594 0 40 GFAB biogenic O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(F)c1 22227304 WXURAYHZXSFYIA-UHFFFAOYSA-N 390.480 2.973 0 40 GFAB Cn1nc(CC(=O)OCc2ncc(-c3ccccc3)o2)c2ccccc2c1=O 22498732 JVBRFUWORUBZKW-UHFFFAOYSA-N 375.384 2.874 0 40 GFAB COc1ccc(Cl)cc1CC(=O)Nc1nc(CN2CCOCC2)cs1 22701870 WPUNJAGYMGAJKH-UHFFFAOYSA-N 381.885 2.819 0 40 GFAB COc1ccc(F)cc1CN1CCN(CC(=O)N2CCCc3ccccc32)CC1 22784514 ZDJDAPRDOCRZSF-UHFFFAOYSA-N 397.494 2.931 0 40 GFAB COC(=O)c1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1C 23054447 WSCKHUXYAOSPCH-UHFFFAOYSA-N 376.359 2.818 0 40 GFAB Cc1noc(C)c1COc1ccc(CC(=O)NCCC(=O)N2CCCC2)cc1 23244550 NEUGCRMFVHVASD-UHFFFAOYSA-N 385.464 2.542 0 40 GFAB CC(=O)N[C@H](CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccccc1 23270165 IQNRUJBVHYCXJC-LJQANCHMSA-N 390.443 2.857 0 40 GFAB COc1cc([C@@H]2NC(=O)c3ccccc3N2C)ccc1OCC(=O)N1CCCC1 24134139 JMTQHRCQGAALOH-OAQYLSRUSA-N 395.459 2.575 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 24473020 BOORFEVIZCHQBR-UHFFFAOYSA-N 390.427 2.656 0 40 GFAB COc1ccc([C@H](NS(=O)(=O)c2ccccc2F)c2nccn2C)cc1 24712059 QXQUEHXZCROFEI-KRWDZBQOSA-N 375.425 2.636 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)NCc1ccccc1OC(F)(F)F 24866612 KCZFFFJGHQNQFK-UHFFFAOYSA-N 383.351 2.673 0 40 GFAB Cc1ccc(C)c(OCCSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)c1 25060349 WGFUAXCMULTXOY-AWEZNQCLSA-N 381.523 2.505 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25920198 YUKBNCIYVXMHHQ-UHFFFAOYSA-N 384.432 2.727 0 40 GFAB O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 25949420 VROBHKRUZYROIT-FQEVSTJZSA-N 385.439 2.646 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)Oc2ccc(N3CCCC3=O)cc2)C1=O 26867833 MVABJANMDOPCCJ-HNNXBMFYSA-N 394.427 2.923 0 40 GFAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)s2)cc(C)c1Cl 27748509 KGAOSKPOGSUWQA-VIFPVBQESA-N 389.886 2.618 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cnn(Cc2ccccc2)c1 28970622 IDIGFOKROOYGLU-UHFFFAOYSA-N 379.445 2.502 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C(N)=O)c1ccccc1 32879304 LXGDUCHMUPZSSS-SJORKVTESA-N 388.851 2.864 0 40 GFAB Cc1nc2ccc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)cc2nc1C 32892953 FBUNAWOMDBWXMM-UHFFFAOYSA-N 384.461 2.548 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Oc1ccccc1 36185449 FXPZEFZHTXCFNB-HNNXBMFYSA-N 384.432 2.712 0 40 GFAB CCN(C(C)=O)c1nc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)cs1 40153691 LUWNRVVEBWJWCS-UHFFFAOYSA-N 390.509 2.684 0 40 GFAB C[C@H]1CCCN(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 46862361 YNRPHPNDMCLBIU-HNNXBMFYSA-N 393.478 2.665 0 40 GFAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 48290387 VKYMNBBHROBJOI-UHFFFAOYSA-N 382.395 2.974 0 40 GFAB C[C@H]1CN(Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)C[C@@H](C)O1 48374672 CQYUHNDCLJUTLO-GASCZTMLSA-N 380.535 2.836 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1F 49390508 UUDURFDEEPOKNO-UHFFFAOYSA-N 385.395 2.786 0 40 GFAB CCOC(=O)CN1C(=O)N(c2cccc(Cl)c2)c2ncccc2S1(=O)=O 49420975 FYINHADYFWETEH-UHFFFAOYSA-N 395.824 2.561 0 40 GFAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccc2)CC1 57756265 GJBKIHOTVQXWAC-KRWDZBQOSA-N 381.476 2.997 0 40 GFAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 58209034 YWGYRBBBTOTCBN-UHFFFAOYSA-N 379.507 2.621 0 40 GFAB CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 68185651 WLIDNOWEYMEDTH-LJQANCHMSA-N 389.515 2.755 0 40 GFAB O=C(CCc1nccs1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1 69791929 IIFFZWMWUIHCPR-UHFFFAOYSA-N 385.533 2.788 0 40 GFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCc1ccc(Br)s1 72276868 UVLUXSYAYOYARO-VHSXEESVSA-N 376.320 2.656 0 40 GFAB CCn1cc(CCC(=O)N2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c(C)n1 72390016 JJSLHTJUGFSRMV-QGZVFWFLSA-N 394.479 2.995 0 40 GFAB C[C@H]1CN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C[C@@H](C)O1 72396904 FOFHDSRQSNHPIB-GASCZTMLSA-N 387.505 2.896 0 40 GFAB CCc1cc(NCCNc2nnnn2-c2ccccc2)nc(-c2ccncc2)n1 79102825 MCXQLTCRFJOBQR-UHFFFAOYSA-N 387.451 2.601 0 40 GFAB COc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)ccc1NS(C)(=O)=O 83923450 XOSHQYWMBIJTCP-KBPBESRZSA-N 378.425 2.948 0 40 GFAB CCc1noc2ncc(S(=O)(=O)NC[C@@H](C[C@@H](C)O)c3ccccc3)cc12 95940991 ISFCRJVWQAKMML-UKRRQHHQSA-N 389.477 2.618 0 40 GFAB COc1ccc(-c2nc(C(=O)N3CCSC[C@@H]3CC(=O)O)cs2)cc1 95970124 NKQXIJNVIIHUJE-LBPRGKRZSA-N 378.475 2.851 0 40 GFAB O=C(Cn1c(=O)sc2ccccc2c1=O)Nc1ccccc1Br 96010323 ICNLNWZEPUJZQD-UHFFFAOYSA-N 391.246 2.824 0 40 GFAB Cn1cccc1C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 96038278 YHEQJIZMVHMESG-UHFFFAOYSA-N 378.480 2.688 0 40 GFAB O=C(c1ccc(F)cc1Cl)N1CCN(c2cnnc(N3CCCC3)c2)CC1 96121054 QDZCAVKONQWHKK-UHFFFAOYSA-N 389.862 2.832 0 40 GFAB CN(Cc1ccccc1)c1ccc2ccc(C(=O)NCCN3CCOCC3)cn12 96146140 CLTBEWLJSCYYJC-UHFFFAOYSA-N 392.503 2.638 0 40 GFAB CN1CCc2cc([C@H](O)CNC(=O)c3ccccc3Br)ccc21 96362418 VSNAYTSUHSAEHU-QGZVFWFLSA-N 375.266 2.905 0 40 GFAB CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 113937837 GCVJTUKHPZXEKQ-UHFFFAOYSA-N 382.869 2.680 0 40 GFAB Cc1ccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113965817 SJXGPAYPJWHRMU-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(O[C@H]2CCOC2)c1 182505943 OTNNMAWGLNEZNW-FQEVSTJZSA-N 381.476 2.644 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)O)c1 217641708 VEYUHXALGYIHPH-UHFFFAOYSA-N 392.477 2.702 0 40 GFAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 219167828 YBBPRCVAPIYAKU-UHFFFAOYSA-N 390.505 2.736 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2-n2ccnc2C)c1 223864071 PYLXZAPVIGRKGP-UHFFFAOYSA-N 399.472 2.754 0 40 GFAB COc1cccc(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)c1OC 225781323 GPDZGRCGEWSFAB-UHFFFAOYSA-N 399.834 2.564 0 40 GFAB COc1cc(C(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)cc(OC)c1OC 238874565 NSLAIJNVHLOKGA-IBGZPJMESA-N 396.487 2.985 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247852403 JGWOBONTTLIQFF-LJQANCHMSA-N 377.456 2.571 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@@H](C)c1ccccc1 260842625 JZYGXRJOKQGLTL-CVEARBPZSA-N 390.505 2.770 0 40 GFAB O=C(c1ccccc1F)N1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306124976 CDMRQBOYCUAPCP-JOCHJYFZSA-N 390.418 2.632 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408602666 IQNTZCMCMAHCGN-AWEZNQCLSA-N 392.477 2.788 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1C 408606161 NWXJTYJTOSKDQS-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB FC(F)(F)c1cc(Br)cnc1N1CCN(c2ncccn2)CC1 450215090 ZYJWYJGEZGUUOV-UHFFFAOYSA-N 388.191 2.980 0 40 GFAB Cc1ccccc1-c1cc(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)n[nH]1 532280274 HXQLWHIGWNUKTO-NRFANRHFSA-N 389.415 2.692 0 40 GFAB C[C@@H]1CN(C(=O)Nc2cc(-c3ccsc3)nn2C)C[C@@]2(CCO[C@@H]2C)O1 564286670 XHNRCXYBUIKERJ-SNUQEOBHSA-N 376.482 2.949 0 40 GFAB O=C(c1cnc(C2CC2)nc1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 567123113 BHQRQIAWBWKPFZ-UHFFFAOYSA-N 398.414 2.577 0 40 GFAB CCS(=O)(=O)N1CCC(CNc2ccc3cc(F)cc(Cl)c3n2)CC1 574318711 WPGPFINGQUEWFC-UHFFFAOYSA-N 385.892 3.501 0 40 GFAB O=C1C[C@H](Oc2ccc(NC(=O)c3ccc4nc(O)n(C5CC5)c4c3)cc2)N1 615959057 PJDDYAKJELLQEL-SFHVURJKSA-N 378.388 2.554 0 40 GFAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NCCO)ccc21 643579396 WOORTQSGAOENMS-UHFFFAOYSA-N 389.540 2.936 0 40 GFAB CC[C@@H](c1ccccc1OCC(=O)N1CCCC1)N1C(=O)N2CC3CC2(C3)C1=O 656798666 SZAFBMJUINQRSI-YSJWXEPDSA-N 397.475 2.566 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ccccc3F)C[C@H]2C)c1 682756551 SNUIUWKBQGTSSU-QGZVFWFLSA-N 383.467 2.910 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](COc2ncccn2)C1 1775968432 NSLZHTJUHGGGIR-AWEZNQCLSA-N 381.885 2.918 0 40 GFAB Cn1cncc1C(=O)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888897447 LLMVLADMUAMHRP-CQSZACIVSA-N 381.411 2.557 0 40 GFAB O=C(Cn1cccn1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 2087110175 IMQGXWQJDOYDJQ-UHFFFAOYSA-N 399.458 2.690 0 40 GFAB COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1Cl 821451 HYCCPDREWIVHJA-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2cnn(Cc3ccc4c(c3)OCO4)c2N1 12375129 HVPUTSXDSAHFIN-CQSZACIVSA-N 391.383 2.863 0 40 GFAB COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 1381171 BXAYCYYHHNDRHL-CXAGYDPISA-N 375.446 2.950 0 40 GFAB COc1cccc(N2CCN(C(=O)c3sc4nc(C)[nH]c(=O)c4c3C)CC2)c1 79481059 BZZJQNMRZVEJLC-UHFFFAOYSA-N 398.488 2.572 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc(Cl)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 2668959 WLUSHOBOGRNGTN-SGPHBRAGSA-N 384.812 2.642 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3565833 RPUFKZLTUGLBEJ-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(Br)c1 4944518 IOSICUFXWYQPPI-JTQLQIEISA-N 380.267 2.739 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 6376466 RGYDAZUNTBHQOO-UHFFFAOYSA-N 384.404 2.669 0 40 GFAB Cn1cc(OCc2ccc(Cl)cc2)c(=O)cc1C(=O)NCc1cccnc1 61719060 APWUXFRMAOTKPV-UHFFFAOYSA-N 383.835 2.943 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccccc3)c3ccccc3[C@H]1[n+]1ccccc12 104137518 DKMUFSBYSWBWDW-RDGATRHJSA-N 398.438 2.868 0 40 GFAB Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 12547268 FHGSIHXOJDNRCD-UHFFFAOYSA-N 383.427 2.551 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3nnc(C)s3)o2)cc1OC 10546233 FSVXHKRQGCZLIX-UHFFFAOYSA-N 393.450 2.645 0 40 GFAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 8433784 QTCKFWVSHDRZQC-HOCLYGCPSA-N 384.407 2.599 0 40 GFAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)N3CCCCC3)cc1)C2=O 8434736 BNLPWRRYQVQFMC-UHFFFAOYSA-N 378.384 2.812 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 23866252 UBIJBTBLXNHZQT-UHFFFAOYSA-N 397.500 2.989 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)NC(C)C 10008991 RUOUROUWYPZIQV-UHFFFAOYSA-N 396.896 2.965 0 40 GFAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20105723 PYYVJQYEYNTZGA-CQSZACIVSA-N 394.468 2.868 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccsc2)CC1 23248507 QFNFHPLRBVUEEP-MRXNPFEDSA-N 398.532 2.630 0 40 GFAB Cc1nn(-c2ccccc2)c(=O)c2c1[C@@H](c1ccc(Cl)cc1)n1nnnc1N2 35323739 UHVPILZQNCDKSG-QGZVFWFLSA-N 391.822 2.876 0 40 GFAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN[C@@H]2CCS(=O)(=O)C2)cc1 10030190 MXUCZKPBVIAOEB-MSOLQXFVSA-N 397.581 2.917 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 103099308 NJTIPEZDFSWMHQ-RGCMKSIDSA-N 392.525 2.877 0 40 GFAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NC[C@H]1CCCO1 27937293 YOKVOMVGVFTNFZ-SECBINFHSA-N 396.207 2.837 0 40 GFAB CC1(C)C[C@@H](NC(=O)CN(c2ccccc2)S(C)(=O)=O)c2ccccc2O1 22326403 ACXBQZOXPOMJQN-QGZVFWFLSA-N 388.489 2.871 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)ccc1OCC(=O)O 58370410 VGGCPCKJNAFCQF-UHFFFAOYSA-N 397.399 2.878 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3c(F)cccc3Cl)C2=O)cc1 101167083 YCDYCTSTZLKMNI-CVEARBPZSA-N 388.786 2.981 0 40 GFAB CN(C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 22274341 YCMSQKDRLHCPBC-UHFFFAOYSA-N 397.294 2.733 0 40 GFAB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 3353053 UQFNGZGWIWMLJI-LBPRGKRZSA-N 389.424 2.566 0 40 GFAB CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2433231 ZXDGKJVGKVGXGC-SJCJKPOMSA-N 387.432 2.809 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)O)c2)cc1OC 20153452 ITIUEYOAMYLLJP-UHFFFAOYSA-N 390.417 2.543 0 40 GFAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc2ccccc2c(=O)[nH]1 45931330 LYHRZDPDMRZGSY-GOSISDBHSA-N 377.400 2.898 0 40 GFAB CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)cc1 2639643 KKUDLPSRCLHUNX-OAQYLSRUSA-N 396.531 2.950 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(/C=C/C(=O)O)cc2)C1=O 12992847 MWWBSXFVPUCTEW-ZHZWZMEUSA-N 380.400 2.927 0 40 GFAB O=C(CSc1ccc(F)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 13013832 FQAWNDBQYIHMGU-AWEZNQCLSA-N 383.466 2.727 0 40 GFAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCCc1c[nH]c2ccccc12 9049353 MXVNOSNCNHTLKR-UHFFFAOYSA-N 383.843 2.649 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 4158647 PMUASCFAYXMCMN-GOSISDBHSA-N 393.530 2.994 0 40 GFAB Cc1cc(=O)n2nc(NC(=S)SCC(=O)c3ccccc3)sc2n1 13942811 LSFQLMQYKJMRQH-UHFFFAOYSA-N 376.488 2.772 0 40 GFAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCn3ccnc3)ccc12 5206729 VPEIODVRTGOERN-OAHLLOKOSA-N 383.448 2.916 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1 5625459 HNYVKTSHJDZYQF-UHFFFAOYSA-N 382.445 2.961 0 40 GFAB O=C(Nc1cc2c(cc1Br)OCCO2)[C@H]1COc2ccccc2O1 6847902 VSYNXBSONGRTHC-MRXNPFEDSA-N 392.205 2.999 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1c(C)noc1C 5938431 LSSBJGNVQBOBMA-UHFFFAOYSA-N 394.449 2.967 0 40 GFAB CCOC(=O)[C@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)C1 15910906 GHWYGYNCWPWNON-STQMWFEESA-N 389.521 2.885 0 40 GFAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 7735764 DOLPLWKDLGVGAF-CQSZACIVSA-N 383.400 2.991 0 40 GFAB CC(=O)NNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 28222360 VYXLXNXFCUINSU-OAQYLSRUSA-N 390.443 2.579 0 40 GFAB O=C(CN1CC(=O)Nc2ccccc21)Nc1ccc(Oc2ncccn2)cc1 84583004 JABOUXZADZJIHN-UHFFFAOYSA-N 375.388 2.666 0 40 GFAB CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@@]1(C)CCS(=O)(=O)C1 84810520 WWZJPYXWURQUBK-AWEZNQCLSA-N 380.388 2.803 0 40 GFAB CCOC(=O)COCCSc1nnc(-c2ccc(Cl)cc2Cl)n1N 95964803 ZXAIVDAANXPVKR-UHFFFAOYSA-N 391.280 2.638 0 40 GFAB O=C(CCc1cncc(F)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1 95984481 SMCDVNVXDVSHBS-LJQANCHMSA-N 391.874 2.996 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)Nc1ccn(C)n1 95999675 VXPUKZGGPOAZTP-QGZVFWFLSA-N 398.442 2.967 0 40 GFAB CS(=O)(=O)CC1(CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CCC1 95993130 VLDZWNCNTQJKGJ-QGZVFWFLSA-N 388.537 2.866 0 40 GFAB CC(C)CS(=O)(=O)N[C@H]1CCCC[C@@]12CN(C[C@@H]1CC=CCC1)CCO2 306123910 BAHBELYJQDXKMC-HSALFYBXSA-N 384.586 2.932 0 40 GFAB CN1CC2(CCN(C(=O)c3ccco3)CC2)c2nn(C3CCCC3)cc2C1=O 306129523 IGCMLDZUKZTYBN-UHFFFAOYSA-N 382.464 2.851 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 22340460 WYJMYJPVYWKDDN-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OCC 408698524 QOZLZAUVSIVPAA-CQSZACIVSA-N 376.478 2.875 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c(OC)c1 32913248 FHYNXHYQTVBELU-GQCTYLIASA-N 395.459 2.989 0 40 GFAB C=CCOc1cccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1 33721256 SXSAZHMMFAVPJE-WJDWOHSUSA-N 382.372 2.724 0 40 GFAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3)C[C@@H]1C2 306123745 AVNCADMABUBCKL-PMACEKPBSA-N 387.487 2.512 0 40 GFAB COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)c1 35023199 FBIWEBDTUSGSDW-VKJFTORMSA-N 394.349 2.799 0 40 GFAB O=C(Nc1cc(F)ccc1F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 36708260 BOSVERMMJCQZPT-UHFFFAOYSA-N 388.422 2.709 0 40 GFAB O=C1C[C@@H](C(=O)NC2CCCCC2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399785 OQHUDOYWVAWANE-CQSZACIVSA-N 399.426 2.527 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 41115521 PEHMZZBRBWOPED-UHFFFAOYSA-N 398.481 2.552 0 40 GFAB C[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223176593 KSWSKRGVURYXGZ-CQSZACIVSA-N 390.480 2.958 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 568730702 VRSUKNPVFGOCDJ-QMCVQRASSA-N 384.929 2.668 0 40 GFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223193061 FBNQPJLXRCEYNR-FQEVSTJZSA-N 386.467 2.674 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1C 223243431 KLCSZXKCPCSOQV-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 222640827 CLIGATMTAATJPO-UHFFFAOYSA-N 398.459 2.795 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSC3CCCC3)ccc21 225831527 VWIWQQJITMFUEI-UHFFFAOYSA-N 382.551 2.940 0 40 GFAB CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc(Cl)cc1 96519979 KOVYNRMMISVPGL-DTWKUNHWSA-N 395.045 2.746 0 40 GFAB CCN1c2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2C(=O)N2CCCC[C@H]21 97112870 KHZFFORQQQADOJ-IBGZPJMESA-N 392.459 2.830 0 40 GFAB CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc3c(c2)OCO3)s1 95478075 NJPNLMIUUWJJTQ-IAQYHMDHSA-N 388.449 2.548 0 40 GFAB O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccnc2ccnn12 585123480 JKLOWZAMMCDPDO-UHFFFAOYSA-N 399.882 2.656 0 40 GFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 671225955 LUCRTRZXVNRZCR-NRFANRHFSA-N 399.441 2.981 0 40 GFAB CN(C)c1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)ccn1 679463964 ZUOAAJDXFYGUIC-INIZCTEOSA-N 395.467 2.689 0 40 GFAB O=C(Cc1csc(-c2ccccn2)n1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 604404021 IITMYYXMBMZSEQ-VKJFTORMSA-N 396.516 2.607 0 40 GFAB biogenic Cc1cnc(OC2CCN(Cc3cc(O)nc(-c4ccccc4)n3)CC2)nc1 653799115 MMBYFKCSAXNPOA-UHFFFAOYSA-N 377.448 2.991 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1F 96096511 ONEVBQQZSKKMDO-GOSISDBHSA-N 392.452 2.728 0 40 GFAB CCn1nccc1-c1nc(C2CCN(C(=O)Cc3ccccc3OC)CC2)no1 390828011 NKRLFMKFXBUUIL-UHFFFAOYSA-N 395.463 2.910 0 40 GFAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccc(F)cc3C)CC2)C1 585102911 HXDGYSUQTVGOST-QGZVFWFLSA-N 378.488 2.581 0 40 GFAB COc1ccc(CNC(=O)c2nn(C)cc2-c2ccc3c(c2)OCCO3)cc1 66089134 GWYVCLSYMSPKQJ-UHFFFAOYSA-N 379.416 2.797 0 40 GFAB COCCN(C(=O)c1cc2c(s1)CCCCCC2)[C@H]1CCS(=O)(=O)C1 70719518 AIKANDCGGQYPRD-HNNXBMFYSA-N 385.551 2.683 0 40 GFAB O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCC[C@@H]1COc1ccc(F)cc1 510805747 BTHPVDRPDJAPEQ-CYBMUJFWSA-N 391.424 2.640 0 40 GFAB COc1ccc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)cc1 5366067 RDIXRIPHOSHKGW-UHFFFAOYSA-N 381.457 2.765 0 40 GFAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@@H]4C3)ccc21 12291502 YYGZVQVCVZIGGZ-LDQXTDLNSA-N 392.565 2.944 0 40 GFAB CCn1cc(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)c(C)n1 12413843 SSKJVLNRUBSBGF-UHFFFAOYSA-N 399.520 2.579 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 14004902 MMEMCLXSBRXXRX-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB O=c1[nH]nc(SCCCc2nc(-c3ccncc3)no2)n1Cc1ccccc1 14902631 HGNQSLZERAZKKL-UHFFFAOYSA-N 394.460 2.790 0 40 GFAB Cc1nccn1CCCNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 19288151 KTZLUBBBPUOYLV-UHFFFAOYSA-N 378.411 2.860 0 40 GFAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1 19564911 QESHJFFTJDUHAE-UHFFFAOYSA-N 385.464 2.535 0 40 GFAB COCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19579996 POXASSSGNGCMGQ-HSZRJFAPSA-N 380.488 2.849 0 40 GFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CC1CC1)C2 19701290 JQHGXFOZUHFGLK-LJQANCHMSA-N 395.482 2.709 0 40 GFAB CNc1nc([C@@H]2CCCN(CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 19711510 DFVASYJEQXXESM-LJQANCHMSA-N 393.535 2.845 0 40 GFAB CCn1cncc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 19712808 PLVVZFCYFIKIFG-QKLQHJQFSA-N 384.455 2.709 0 40 GFAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCN2CCOCC2)sc1C 19559739 VEEFKAPUNMBUCA-MRXNPFEDSA-N 379.551 2.944 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 5626626 ZDYHSKBFFUNSOQ-UHFFFAOYSA-N 388.232 2.532 0 40 GFAB CCn1ncc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c1C 2037985254 CZALICJAQZEJKS-JOCHJYFZSA-N 396.491 2.640 0 40 GFAB O=C(CCc1ccccc1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985709 STRYPVGWTLGLMB-QHCPKHFHSA-N 378.472 2.901 0 40 GFAB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 4272575 GFNSLASWESSNDM-SFHVURJKSA-N 396.466 2.771 0 40 GFAB COc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1OC 5075938 VLMFTDYNIRVETO-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)CCc2ccccc2-3)C1 13789922 QQTKRBDFOKKIFW-CYBMUJFWSA-N 391.518 2.519 0 40 GFAB O=C(Cc1ccccc1Br)N1CCc2nc3ccccn3c(=O)c2C1 225777976 OCCMBQICODVPPF-UHFFFAOYSA-N 398.260 2.584 0 40 GFAB COc1ccc(Br)c(C(=O)NC[C@@]2(O)CCOc3ccccc32)c1 77099973 JRZHRTJIDLAQNI-SFHVURJKSA-N 392.249 2.858 0 40 GFAB Cn1c(SCCCc2nnnn2-c2ccccc2)nnc1-c1cccnc1 40154768 LNLSNJVWERFHJT-UHFFFAOYSA-N 378.465 2.578 0 40 GFAB CC[C@H](CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 30559910 MUZJVDBGVUVBDS-MRXNPFEDSA-N 378.480 2.651 0 40 GFAB COC(=O)c1cn(-c2ccccc2NS(=O)(=O)c2cc(C)sc2C)nn1 31648174 SVVCBTLICGCHEA-UHFFFAOYSA-N 392.462 2.533 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)c1 31813901 IKRCYSAERAPRLX-NSHDSACASA-N 390.465 2.670 0 40 GFAB CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 51282264 ZJVGSVDMSWWPCZ-GOSISDBHSA-N 399.472 2.709 0 40 GFAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CC2)CC1 1340222 UKVFIQFOGFSGFM-UHFFFAOYSA-N 386.521 2.666 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCc2cc(=O)n3cc(C)ccc3n2)c1 2622922 HKJJDOUKKUSOEO-UHFFFAOYSA-N 378.461 2.888 0 40 GFAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 4029167 GMUYSWQSSRROPG-RBUKOAKNSA-N 396.443 2.600 0 40 GFAB biogenic,in-vitro COc1ccc(CNC(=O)[C@@H]2CS[C@H]3c4ccccc4C(=O)N32)cc1OC 4082051 XYVJPHFLQBJPMK-YWZLYKJASA-N 384.457 2.590 0 40 GFAB biogenic CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4108443 QRUWDFCYKJYGTR-GGXPGOJBSA-N 382.840 2.506 0 40 GFAB COc1cccc(NC(=O)c2cnc(SCc3ccccn3)n(C)c2=O)c1 4272806 NEPHPFATEXKIGN-UHFFFAOYSA-N 382.445 2.729 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 4306940 FQJXTMSMRXNBOF-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB COc1ccccc1N1C(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 4393617 YWIMFRZHUQLHPW-MSOLQXFVSA-N 386.473 2.924 0 40 GFAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1OC 4511098 SEYIIJKIIDBMJU-LBPRGKRZSA-N 388.395 2.843 0 40 GFAB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 4580422 HNSNKMPSOKDMRK-WEBQWQACSA-N 397.434 2.785 0 40 GFAB biogenic COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1nccs1)C(F)(F)F 4602494 JSCGWCQRZPZDGY-ZDUSSCGKSA-N 377.319 2.556 0 40 GFAB CCC1(CC)COP(=O)(OCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)OC1 4683224 YKWZENVBPMZPQW-XGUBFFRZSA-N 383.381 2.771 0 40 GFAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OC)c(OC)c1 4944573 XXONKIHYCIWXQS-LBPRGKRZSA-N 389.477 2.774 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 5252528 ZLLCSEDYTAIKTM-UHFFFAOYSA-N 381.432 2.880 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccccc1C)n2CCC 5272614 SKJWDWYJJFXNLD-UHFFFAOYSA-N 398.463 2.762 0 40 GFAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCCC[C@@H]1CCO 5577111 JWVQSGHGONANGP-GFCCVEGCSA-N 393.871 2.783 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 6256272 SIHXFZVSNXYFGU-CQSZACIVSA-N 391.493 2.693 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCCCC1 6509579 PUVLBVPQNCJMFX-OAHLLOKOSA-N 388.530 2.628 0 40 GFAB C[C@H](C(=O)N1N=CC[C@]1(O)C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1 6852714 YBTXKHPJACKOSE-KRTXAFLBSA-N 384.280 2.809 0 40 GFAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 7054039 AMJVKNXMJBMCTG-UHFFFAOYSA-N 389.477 2.928 0 40 GFAB CCOC(=O)N1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 7966928 QTZFQYCOCXGORG-UHFFFAOYSA-N 386.448 2.991 0 40 GFAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC1=O 7989959 OZMKEYVPTJKCDO-QFBILLFUSA-N 394.471 2.726 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1 8303059 FYASJHJCKBOMJA-UHFFFAOYSA-N 381.432 2.533 0 40 GFAB CCn1nnnc1NCc1cc(Br)cc(Br)c1OC 8339938 XEXJOTVGFGBGQH-UHFFFAOYSA-N 391.067 2.839 0 40 GFAB Cc1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1C 8707330 NEJTYZKQFXSMDE-UHFFFAOYSA-N 392.452 2.716 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2)cc1 8729433 SGFCQFMPJHOVQJ-UHFFFAOYSA-N 382.825 2.578 0 40 GFAB C[C@@H]1CCC[C@H](NC2=NN/C(=C3\C=NC(C(=O)N4CCCC4)=C3)CS2)[C@@H]1C 8943930 KDDICYIKNRUZNB-IHIAVRIDSA-N 387.553 2.853 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccc(F)cc1 9036317 ICXNIBNULDBTRM-LBPRGKRZSA-N 382.844 2.811 0 40 GFAB CCc1cnc2c(c1OC)c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 9571571 APVOBYXKANMGMA-UHFFFAOYSA-N 377.803 2.507 0 40 GFAB Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C 11450818 NMIGMHRAJLBRGP-UHFFFAOYSA-N 378.519 2.948 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(Br)s2)cc1 11515287 QLIDTRAFABUXQI-UHFFFAOYSA-N 396.262 2.975 0 40 GFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)CC4CCCC4)nn23)c1 11693908 XBVFLKOGYRRZHO-UHFFFAOYSA-N 395.463 2.875 0 40 GFAB O=C(NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1)c1cccc(F)c1 12428755 MNGHVUGFRHWFFB-UHFFFAOYSA-N 388.786 2.689 0 40 GFAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1csc(N2CCCC2=O)n1 12739543 FPLFYLUKGMGJPT-UHFFFAOYSA-N 399.472 2.578 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCCSCc3ccsc3)ccc2N1 12771382 JFXCSDCQSCPUMA-UHFFFAOYSA-N 382.532 2.845 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)c1 13008716 RMNCGFPZZBBBKC-UHFFFAOYSA-N 390.505 2.607 0 40 GFAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCO[C@@H](c2ccccc2)C1 13019142 ISKMPBDXFYZVSF-MRXNPFEDSA-N 381.400 2.897 0 40 GFAB CCN(CC(=O)NCc1ccccc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13057417 INNNDHBLEKHCOG-UHFFFAOYSA-N 384.867 2.715 0 40 GFAB O=C(O)C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1 13257823 FGNXTRMNMIABFK-GOSISDBHSA-N 384.407 2.894 0 40 GFAB O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2[nH]1 13726872 ZUWWSDQFBDVVMR-UHFFFAOYSA-N 396.878 2.900 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 14182469 WVSUWMOSWVHPPT-KRWDZBQOSA-N 380.897 2.959 0 40 GFAB CCOC(=O)c1sc2nc(C)nc(N(C)CC(=O)N3CCCC3)c2c1C 16738309 KCTFRIAAGLUFNK-UHFFFAOYSA-N 376.482 2.543 0 40 GFAB CSCC[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)O 16956688 JQOCZYXSNHPMAR-SOGDLCAJSA-N 398.484 2.780 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)no1 18058049 JWKCTPSGSBGYRP-BETUJISGSA-N 377.466 2.902 0 40 GFAB COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(OC)cc1OC 18211258 MBQGEPIUZPMYFM-UHFFFAOYSA-N 390.417 2.773 0 40 GFAB O=C(CCn1nc(O)c2ccccc2c1=O)N[C@H]1CCSc2ccccc21 18699602 RPEFWERNWWFPEK-INIZCTEOSA-N 381.457 2.846 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCC(=O)Nc1nccs1 19130340 QENVYXKBUYTAHY-OCCSQVGLSA-N 396.476 2.501 0 40 GFAB Cc1ccc2nc(C(F)(F)F)n(CC(=O)N[C@@H](C)CCN3CCOCC3)c2c1 19221447 OBUMVUQBJSXIGG-AWEZNQCLSA-N 398.429 2.591 0 40 GFAB CCOc1cc(CCC(=O)N2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C)nn23)on1 19532289 ZKCLDNIDTUNPHK-CJNGLKHVSA-N 381.436 2.645 0 40 GFAB Cc1nc2sccn2c1CN1CCc2nc(-c3ccccn3)nc(O)c2C1 19555078 FTXFPNGNTLPBQD-UHFFFAOYSA-N 378.461 2.820 0 40 GFAB CN(C)C(=O)c1c[nH]nc1-c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 19581422 OSGAPVDSEWPPGQ-UHFFFAOYSA-N 380.423 2.777 0 40 GFAB CCn1cc(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 19710972 OQOJKESJEKFFNS-MRXNPFEDSA-N 394.523 2.744 0 40 GFAB COc1cc(OC)cc(OCC(=O)NCc2ccc(-n3ccnc3C)cc2)c1 20044488 RADFFVBMUCDGOG-UHFFFAOYSA-N 381.432 2.893 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 20105569 QFQOTFPCVXTKJK-UHFFFAOYSA-N 388.489 2.951 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)OCC(=O)c1ccccc1Br 21226625 AAGOWJUXLGJUPA-UHFFFAOYSA-N 390.189 2.783 0 40 GFAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCOCC1 21822453 GIKHIJAMYRIXKY-UHFFFAOYSA-N 378.450 2.764 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 21960916 HFUGFVNYVBQAKQ-JOCHJYFZSA-N 395.503 2.959 0 40 GFAB NC(=O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22054198 LVJDQBJDVOYDLA-OAQYLSRUSA-N 387.911 2.549 0 40 GFAB in-vitro CC[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 22363487 NSIYCAXBDWYYRW-GOSISDBHSA-N 394.468 2.868 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 22616683 ALTVXMAIZLDHHD-UHFFFAOYSA-N 382.869 2.876 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2oc(C)nc2c1 22973451 KVZLXINRVALIKI-GOSISDBHSA-N 399.472 2.851 0 40 GFAB C[C@H](NC(=O)c1cccs1)C(=O)NCCOc1cccc2c1OC(C)(C)C2 24450656 FWVOZJWIPYVEBG-ZDUSSCGKSA-N 388.489 2.775 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2c(c1)CCC(=O)N2 25667413 WYSUHORWPGCHCB-UHFFFAOYSA-N 381.432 2.681 0 40 GFAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 26280038 WYQFLECBSMETQR-CYBMUJFWSA-N 379.482 2.559 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 27332777 JFAGLMXLBMZYGL-OAHLLOKOSA-N 398.431 2.843 0 40 GFAB COC(=O)c1ccc2c(O)nc(CN(C)CCOc3ccc(C)cc3)nc2c1 29152267 CRNWWPYJGIOOKQ-UHFFFAOYSA-N 381.432 2.941 0 40 GFAB COc1ccc(C(=O)NCc2cccc(C)c2)cc1S(=O)(=O)N1CCCC1 31107508 OJPWWWKJVYESHU-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 32779728 VHWFETDWJNWVQO-GOSISDBHSA-N 380.920 2.500 0 40 GFAB CSCc1nnc(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)o1 32801690 WYAZVPNQXXOJNJ-UHFFFAOYSA-N 396.513 2.903 0 40 GFAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)c(C(F)(F)F)c1 32912715 MRLPMDRJCPLQRA-HQJQHLMTSA-N 398.200 2.618 0 40 GFAB CC1CCN(C(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 33325332 MQNSIQRRYNXVJO-AWEZNQCLSA-N 393.534 2.843 0 40 GFAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cnn(-c2ccccc2)c1 36394844 YXBVMNVSVSHLKN-MRXNPFEDSA-N 377.448 2.741 0 40 GFAB O=C(CSc1ncccn1)OCc1cc(-c2ccc3c(c2)OCCO3)on1 36662526 IOEGVYDKYGJNLZ-UHFFFAOYSA-N 385.401 2.738 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38834260 JQBSKPVBSBFXJN-INIZCTEOSA-N 396.852 2.514 0 40 GFAB O=S(=O)(N1CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 42666011 CBUCDLKSWLYHDQ-UHFFFAOYSA-N 377.432 2.558 0 40 GFAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)o1 44324683 VCZPVWXMKZMCJX-BLLLJJGKSA-N 383.491 2.627 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)cc1 44901457 BQDUDFLTHQSZDO-UHFFFAOYSA-N 384.465 2.937 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 48382878 JVEMZQQDBHMFJK-UHFFFAOYSA-N 394.424 2.934 0 40 GFAB O=C(C=C(C1CC1)C1CC1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 54914706 BJPSKNXDKZOJCY-UHFFFAOYSA-N 394.468 2.532 0 40 GFAB Cn1cc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 58308795 OIQWVAJGAYSQOI-UHFFFAOYSA-N 398.488 2.584 0 40 GFAB FC(F)(Cl)c1nnc2sc(CCc3nc(-c4cccnc4)no3)nn12 61719156 STHCIJIKBIHTDD-UHFFFAOYSA-N 383.771 2.704 0 40 GFAB Cc1cc(C)cc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)c1 71326462 UWKAQVUYYUSFAA-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB COc1ccc(CNC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1 71769046 YFSGGIUNKHXYKG-UHFFFAOYSA-N 383.423 2.518 0 40 GFAB CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)NCCSCc1ccccc1 72295261 MAFORFVXJPAKIL-SFHVURJKSA-N 377.531 2.692 0 40 GFAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CN3CCCC3)C2)c1 72358997 WJFQJDAEWXUESZ-GOSISDBHSA-N 380.492 2.954 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](O)(c1cccs1)C1CC1 77099520 KPMXLIKYWZOBIX-GOSISDBHSA-N 381.519 2.950 0 40 GFAB CCOC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1c(C)nn(CC)c1C 79103122 QESSAESEAJXJBA-UHFFFAOYSA-N 391.493 2.838 0 40 GFAB CCOc1cc(CNc2ccc(N3CCNC(=O)C3)nc2)cc(Cl)c1OC 95462144 CNNZSNNNRMCNHS-UHFFFAOYSA-N 390.871 2.691 0 40 GFAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)CC1 98026407 XWPTXQYBDUAUJF-NRFANRHFSA-N 394.519 2.897 0 40 GFAB COc1ccc2cc3c(nc2c1)N(NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)CC3 101023396 GKFMRDXTLJXRTD-VXKWHMMOSA-N 395.459 2.759 0 40 GFAB O=c1oc2ccccc2c(O)c1[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 104236700 UEYAWUCPCRXQJE-LJQANCHMSA-N 381.384 2.649 0 40 GFAB CSc1cccc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)c1 220062716 XSUJPYQNKWKHMR-UHFFFAOYSA-N 378.519 2.799 0 40 GFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1CCCN1CCOCC1 223167747 UORXBURSLLEINS-ZWKOTPCHSA-N 388.562 2.838 0 40 GFAB COCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223414805 UBSGJLCTMUCTQS-UHFFFAOYSA-N 398.868 2.986 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)C(C)C 225232928 CUFKUDIUFJIRKS-MRXNPFEDSA-N 396.553 2.963 0 40 GFAB C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccccc1 225343054 IHDFSTXGARMKPH-CQSZACIVSA-N 380.897 2.979 0 40 GFAB COc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cc1Cl 225927360 RCOBNCZHXQFZFE-UHFFFAOYSA-N 378.856 2.706 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)n1 257259959 LAUBESGEZFMPCK-CTNGQTDRSA-N 387.455 2.868 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)C)CC2)[C@@H]1c1ccccc1OC 257261776 LITHMCKADDKLAE-NQIIRXRSSA-N 387.524 2.547 0 40 GFAB CCN(CC)C(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1 257310994 UHLVJRPAHTUZAC-UHFFFAOYSA-N 382.512 2.971 0 40 GFAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408549702 XINJGWCMPFEWJP-SRMXYGTFSA-N 396.827 2.592 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)ccc1C 408623574 PBPOHEQFHYBTSO-UHFFFAOYSA-N 392.477 2.953 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1 408635913 JMWZFYUOKAAKQT-UHFFFAOYSA-N 380.510 2.687 0 40 GFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 408700347 DMIYFZIYXBHQKG-QGZVFWFLSA-N 394.537 2.842 0 40 GFAB O=C([C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)N1CC(n2cc(-c3ccccc3)nn2)C1 527487481 UNHKTXLWGQRIHQ-VQHPVUNQSA-N 392.381 2.684 0 40 GFAB Cc1cc(CN(CC(C)C)C(=O)c2cccc(=O)n2C)nc(N2CCCCC2)n1 535019070 PPSIHEOJSPDXRY-UHFFFAOYSA-N 397.523 2.772 0 40 GFAB CC[C@@H](C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C 537194728 DKTQJFGTLQLSLZ-GFCCVEGCSA-N 379.486 2.527 0 40 GFAB C[C@H](NC(=O)N(C)C1CCN(c2cnccn2)CC1)c1ccc2n[nH]cc2c1 578092152 OVLWVJLLDHRVLM-AWEZNQCLSA-N 379.468 2.724 0 40 GFAB CCN1CCN(c2ccc(C(=O)N(CC)C[C@@H]3CCCN3CC)cc2F)CC1 585083139 YEXDNOGLVFPEJI-IBGZPJMESA-N 390.547 2.914 0 40 GFAB C[C@H](NCc1ccc2cnn(C)c2c1)c1cccc(N2CCCS2(=O)=O)c1 585085296 VOQCRXAHVGLMJV-HNNXBMFYSA-N 384.505 2.964 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)cc4)CC3)[C@H]2C1 585106311 SEJPQSXDYPFOBN-RLLQIKCJSA-N 383.536 2.836 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3CC3CCCCC3)C2)c1 585107898 CQQMRIZIHURUTE-YLJYHZDGSA-N 378.538 2.970 0 40 GFAB COCCN(Cc1cc(Br)cs1)C(=O)c1ccnc2ccnn12 585123690 XMBCIUVJFGILLT-UHFFFAOYSA-N 395.282 2.842 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](Oc4nccs4)C3)CC2=O)cc1C 585320357 XLSHDMXFFMMGGG-WBVHZDCISA-N 385.489 2.793 0 40 GFAB C[C@H]1CCn2cc(C(=O)N3CCN(c4cncc5ccccc45)CC3)nc2C1 632708670 FSCCSQBMQADROT-INIZCTEOSA-N 375.476 2.976 0 40 GFAB O=C(O)[C@H]1CCN(CC(=O)N2CCCCC2)c2ccc(Br)cc21 635018594 JEHJRWZNTNSAGX-ZDUSSCGKSA-N 381.270 2.840 0 40 GFAB C[C@H](NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)c1nnc2n1CCCC2 660919633 ZWHCZXKSEQHSFN-HOCLYGCPSA-N 391.479 2.848 0 40 GFAB CCO[C@@H]1C[C@@H]1c1nnc(N2CCN(c3cccc4[nH]ccc34)CC2)n1CC 1554072010 RKVXEFALDGLNND-QFBILLFUSA-N 380.496 2.998 0 40 GFAB CC(C)Oc1cccc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)c1 1565556536 VJZMDHXCYSWZCY-UHFFFAOYSA-N 399.491 2.894 0 40 GFAB Cc1nc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)co1 2037839727 BOLPJDGXDPPLGB-HXUWFJFHSA-N 387.411 2.550 0 40 GFAB Cc1cnc(NC(=O)CN2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)s1 2037916257 ZTGHKGVGLBGUQM-FQEVSTJZSA-N 389.521 2.913 0 40 GFAB COc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N(C)Cc3ccccn3)C2)c1 2055756556 XMBHBQCEJNJHCO-XXBNENTESA-N 395.503 2.587 0 40 GFAB COC(=O)[C@@H](CNC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccccc1 78936652 JYHGNEYSOSHFSN-AWEZNQCLSA-N 375.812 2.517 0 40 GFAB COc1ccc(-c2noc(CCC(=O)NCCCOC(C)C)n2)cc1OC 2443795 BWQFIJWVMLRPSQ-UHFFFAOYSA-N 377.441 2.618 0 40 GFAB CC1(C)Oc2ccc(NC(=O)CCn3nc(O)c4ccccc4c3=O)cc2O1 47224866 WNQSILVLYNCHIF-UHFFFAOYSA-N 381.388 2.638 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cc3cccc(OC)c3oc2=O)CC1 887173 FBJBFWZBMMRIFZ-UHFFFAOYSA-N 394.427 2.773 0 40 GFAB biogenic O=C(COC(=O)CCC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)o1 7395997 PHMHMJGBJBXLRY-UHFFFAOYSA-N 379.372 2.881 0 40 GFAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc2c(c1)OCO2 10119911 DQSUXLFAVMEUPP-UHFFFAOYSA-N 395.400 2.842 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(NS(C)(=O)=O)c1 23984314 BUUABAMQPFDTMB-UHFFFAOYSA-N 382.869 2.863 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccccc2Cl)no1 25057625 HIHJWENOAZTMHE-UHFFFAOYSA-N 390.852 2.600 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 12584307 ZDTRQSDLIFVKQG-UHFFFAOYSA-N 376.434 2.853 0 40 GFAB COCCc1nnc(NC(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)s1 100124560 CLPCSHHQZOPHJC-MXDFIXEMSA-N 399.472 2.726 0 40 GFAB COCCc1nnc(NC(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)s1 100124558 CLPCSHHQZOPHJC-IZZHEETASA-N 399.472 2.726 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC(=O)N1Cc1ccccc1Cl 3026081 QRFVKRLYMYMRGX-MRXNPFEDSA-N 386.835 2.876 0 40 GFAB COCCn1cc(C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 57434073 LGFALZKDCDXTPZ-CYBMUJFWSA-N 378.432 2.948 0 40 GFAB CCn1c(=O)n(C[C@H](O)COc2ccc(CCC(C)=O)cc2)c2ccccc21 44348827 ZOAPEHPPLCCLSU-SFHVURJKSA-N 382.460 2.784 0 40 GFAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccccc2Cn2cncn2)c1 57994873 WXXZZUKTDVXFRM-INIZCTEOSA-N 378.432 2.613 0 40 GFAB CCC(CC)[C@@H](CNC(=O)Nc1ccc(-n2cccn2)nc1)N1CCOCC1 48262783 UGQDUJFFCJYXEE-GOSISDBHSA-N 386.500 2.526 0 40 GFAB CCOc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC 58195930 QNBZUBSKBSLJER-JFIYKMOQSA-N 376.497 2.808 0 40 GFAB c1ccc(-c2nnc3ccc(N4CCCN(c5nccs5)CC4)nn23)cc1 58224027 LPXWDYHPACTAFR-UHFFFAOYSA-N 377.477 2.965 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 27741683 WDCISGBUKXYGOF-KRWDZBQOSA-N 377.504 2.660 0 40 GFAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 27718869 RYMSMERYIGHAMY-DGCLKSJQSA-N 375.450 2.679 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)oc2c1 2108298 UUZCDECNMLERSA-HXUWFJFHSA-N 395.411 2.985 0 40 GFAB biogenic Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)no1 3333598 IFXGUGLDTZRMNV-STQMWFEESA-N 377.466 2.902 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1 3366849 SKNLJZSPBITENF-UHFFFAOYSA-N 394.460 2.518 0 40 GFAB COc1ccc2cc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)c(C)nc2c1 48363480 OYPDCQCLLLUFTE-INIZCTEOSA-N 377.448 2.741 0 40 GFAB CC(C)OC(=O)c1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 11725758 WVKMBBNIGIXXOQ-UHFFFAOYSA-N 390.461 2.706 0 40 GFAB COc1cc(Cl)c(C)cc1-n1c(SCC(N)=O)nc2ccccc2c1=O 3489972 QBFQFQPDGPDYBP-UHFFFAOYSA-N 389.864 2.934 0 40 GFAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cccc2nsnc12 19106903 XHGIIVHKLGSNBV-UHFFFAOYSA-N 381.369 2.593 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@H]1CCCO1 12973011 FOSNMBLWBMCOEN-BXUZGUMPSA-N 384.274 2.563 0 40 GFAB C[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 13057369 RPVGLZIQKPTUNO-AWEZNQCLSA-N 399.944 2.795 0 40 GFAB COC(=O)c1cccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c1 13136160 GKOLRBUJMBAZEK-XFKLWTPLSA-N 380.448 2.999 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1C(F)(F)F 72333846 GZOZTMUDEIRPGI-UHFFFAOYSA-N 381.306 2.907 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 13555600 HDXIWDLBQWZULX-JQFCIGGWSA-N 390.480 2.964 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 9155752 ZPWMHISTXKHWPQ-WMLDXEAASA-N 387.436 2.519 0 40 GFAB CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCn3ccnc3)c12 5207823 GWRNTNGAXHRMOO-OAHLLOKOSA-N 383.448 2.834 0 40 GFAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(OC)cc1Cl 6309982 YZYHPEVWMPXMNH-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB COc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1OCC(N)=O 14196695 KCYUVLZQIFACEH-UHFFFAOYSA-N 396.365 2.551 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1coc2ccccc2c1=O 5684509 MIYRNCDAOHCYHU-UHFFFAOYSA-N 386.429 2.604 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC2=NCCS2)cc1 14818162 JQMCQBYLNVWRCI-ZIAGYGMSSA-N 375.494 2.688 0 40 GFAB O=C(CCc1nnc(-c2ccsc2)o1)NC[C@H]1CCCN(c2ncccn2)C1 19741180 FJRQIKYSFZCKMM-CQSZACIVSA-N 398.492 2.554 0 40 GFAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cn(C)nc2C)n2ncnc2N1 6922389 DJSFZQBHGHRUQR-GOSISDBHSA-N 377.452 2.864 0 40 GFAB CSCC[C@H](NC(=O)NCCC(=O)OC(C)C)c1nc2ccccc2[nH]1 9378087 DVSAKZXDWNZUHO-HNNXBMFYSA-N 378.498 2.998 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 67263051 RZXIAHQYBPVSFO-UHFFFAOYSA-N 391.475 2.855 0 40 GFAB O=C(NCc1ccc(F)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 15961217 IGEHAQDGJQXMBF-MRXNPFEDSA-N 382.391 2.531 0 40 GFAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c1 28207885 XKIFBSAKFIWKLB-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)NC1CCCCC1 8318419 ILMMIKJZGYMFAW-KRWDZBQOSA-N 387.480 2.753 0 40 GFAB COc1cccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c1OC 8739176 VDKVLQMBHZZUMQ-AWEZNQCLSA-N 377.400 2.928 0 40 GFAB CO[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 83897600 QYFLKUJYAHPXOS-KRWDZBQOSA-N 390.281 2.880 0 40 GFAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(F)c(Cl)c2F)CC1 95993636 VZWMSDFYYYJYIC-UHFFFAOYSA-N 380.844 2.504 0 40 GFAB COc1cc(CCC(=O)Nc2ccc(N3CCOCC3)nc2C)cc(OC)c1 89536945 MMKLYLUQYYONCN-UHFFFAOYSA-N 385.464 2.815 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@@H](C)O1 25073864 WTCNRHDNGMRZKW-OKILXGFUSA-N 380.448 2.718 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)NC(C)C 408601317 FMRRRWCHMAIQRT-UHFFFAOYSA-N 376.434 2.663 0 40 GFAB Cc1cccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c1C 408986198 OMQWJSRLMJZXQM-OAQYLSRUSA-N 399.450 2.978 0 40 GFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 68933170 HTHSWYWSYDPMDZ-GOSISDBHSA-N 392.908 2.852 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1 224170221 WAYGVNWZZOBISU-UHFFFAOYSA-N 399.447 2.976 0 40 GFAB CN(C)C1(c2nnnn2-c2ccc3c(c2)OCCO3)C2CC3CC(C2)CC1C3 35622361 CASWOLPARJRDFZ-UHFFFAOYSA-N 381.480 2.647 0 40 GFAB O=C(O)c1csc(S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1 509045058 HRZNBGUELLMXQJ-ZDUSSCGKSA-N 385.438 2.818 0 40 GFAB Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 306134684 NVGFYAKTARBLJB-KRWDZBQOSA-N 387.447 2.545 0 40 GFAB CCn1nc(C)c2c(C(=O)Nc3ccc(Cn4cncn4)cc3)cc(C)nc21 36616696 FDUQHKZWTIIQAW-UHFFFAOYSA-N 375.436 2.960 0 40 GFAB COc1ccc(CNC(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1 670232680 GECFMNFXNCZLHQ-QFIPXVFZSA-N 384.476 2.809 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(=O)c(OCc2ccccc2F)co1 36354586 PBXOGASGOSRIBK-UHFFFAOYSA-N 379.347 2.908 0 40 GFAB Cc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)c1 49008560 WOGHBCPMSJKTFU-UHFFFAOYSA-N 389.415 2.939 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(F)c1 224908942 YQOFDXFTAYCLCG-UHFFFAOYSA-N 391.468 2.831 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1)c1ccccc1 223637073 OGAYKVSMTXJZLK-UHFFFAOYSA-N 392.506 2.959 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccnc2)c1 40086721 KZDUYFUKIPMQOC-UHFFFAOYSA-N 375.384 2.993 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCC2)cc1 225594720 OERMOSOXNSEKGN-MRXNPFEDSA-N 395.506 2.652 0 40 GFAB COc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225950001 XOJJQLWBYURBJR-IBGZPJMESA-N 390.461 2.641 0 40 GFAB O=C1C[C@]2(CCN(C(=O)Nc3nc4c(s3)COCC4)C2)Oc2ccccc21 572943693 OMBBMTBCFNLKSS-IBGZPJMESA-N 385.445 2.858 0 40 GFAB Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 225641394 NBVIRWPQDWAVLP-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1nc2c3cccc(C)c3ncn2c1=O 44166050 JNQUAFMKSFWPEF-UHFFFAOYSA-N 397.822 2.653 0 40 GFAB CN1CCN(c2ncc(NC(=O)C(c3ccccc3)c3ccccc3)cn2)CC1 224254802 GUHQANLHOBMPLW-UHFFFAOYSA-N 387.487 2.999 0 40 GFAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)Nc1ccccc1 96296357 NKUNDZYYCRTQOM-INIZCTEOSA-N 392.415 2.999 0 40 GFAB biogenic,in-vitro COc1ccc(-c2n[nH]cc2C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)cc1 583652741 LBVBZOJPRGAEFB-SIXWZSSISA-N 394.475 2.558 0 40 GFAB biogenic COCCOCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(OC)c3)o2)C1 257269595 MQPIUALOGHYYOM-KRWDZBQOSA-N 388.464 2.643 0 40 GFAB COc1ccc(-c2cncc([C@@H]3CN(Cc4cn(C)nc4C)CCO3)n2)cc1 257308489 TWWWKVLECARGHF-NRFANRHFSA-N 379.464 2.768 0 40 GFAB CCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccc(F)cc2)C(=O)C3)C1 257292525 QLXYHIYZUPZLBH-INIZCTEOSA-N 396.466 2.782 0 40 GFAB Cc1c[nH]c(-c2cncc(C3CCN(Cc4ccc(O)c(C(=O)O)c4)CC3)n2)n1 257213028 CFXBJDJXKYKVLY-UHFFFAOYSA-N 393.447 2.959 0 40 GFAB CCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253596703 VDVSVDCAVITWMQ-HIAJTZQDSA-N 386.492 2.874 0 40 GFAB O=S(=O)(C1CC1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 377843091 GSCUWDVWVJECGY-UHFFFAOYSA-N 383.823 2.758 0 40 GFAB COc1ccc(Br)c(C(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)c1 90610618 PZVMNGZKPCQUSZ-MRXNPFEDSA-N 392.249 2.856 0 40 GFAB NC(=O)c1ccc2c(n1)N(C(=O)CCc1ccccc1Br)CCC2 622934867 AJTDNBYTFUNSLY-UHFFFAOYSA-N 388.265 2.855 0 40 GFAB O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1-n1cncn1 648410366 RZOAUEJEZSKIJU-YJBOKZPZSA-N 383.839 2.966 0 40 GFAB Cc1c2ccc(NC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2nn1C 653203122 AZYFPWVTDFHAIC-LSDHHAIUSA-N 377.448 2.695 0 40 GFAB O=C(O)[C@@H](c1ccsc1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 656764150 UPHVJKJGYQVNMT-HZPDHXFCSA-N 380.491 2.780 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@@H](C(=O)O)C1CCCC1 663080742 WTNXIWFYLIWDQC-KRWDZBQOSA-N 396.871 2.993 0 40 GFAB O=Cc1ncc(Br)cc1OS(=O)(=O)c1ccc2c(c1)CCC2 1195773205 ZJKYQHURVSIFHL-UHFFFAOYSA-N 382.235 2.913 0 40 GFAB Cn1cc(-c2ncc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)s2)cn1 66373767 TXYRECBYUILHEG-AWEZNQCLSA-N 397.508 2.839 0 40 GFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 95976284 RPVSHQQJJCGEAL-DNVCBOLYSA-N 394.475 2.761 0 40 GFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N1CCc3ccccc3C1)C2 90609663 FZYQEWZWJVIKTH-MRXNPFEDSA-N 383.517 2.848 0 40 GFAB C[C@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCc1nc(-c2ccccc2)no1 12202589 IFMHQTADZLYOBM-SGTLLEGYSA-N 380.379 2.931 0 40 GFAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 16981064 YCUXQFNFJXGZLW-HNNXBMFYSA-N 393.491 2.999 0 40 GFAB Cc1cnc(-c2nnc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)o2)cn1 19239223 FUALCMCWBJDDIZ-UHFFFAOYSA-N 381.411 2.923 0 40 GFAB O=C(C1CCN(CCc2ccccn2)CC1)N1CCc2ncc(Cl)cc2C1 19401337 XSWQDQXYBHRIDM-UHFFFAOYSA-N 384.911 2.969 0 40 GFAB Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@H]5CCCCN5C)n4CC3)cc12 19706140 BGYSCSHRVWQVEI-LJQANCHMSA-N 392.507 2.923 0 40 GFAB COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1nc2ccccc2n(C)c1=O 19718482 GVFMLEWOKIWGRO-CQSZACIVSA-N 383.423 2.750 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 19868482 ADPSEXHWASRMNB-GMBSWORKSA-N 394.512 2.672 0 40 GFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 4468501 ARIGPUBGVAKYOD-OAQYLSRUSA-N 397.862 2.692 0 40 GFAB COc1ccccc1NC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888904113 RTGBRUFRGDHSTE-IYBDPMFKSA-N 393.491 2.882 0 40 GFAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)Cn3c(=O)oc4ccccc43)CC2)n1 245070546 QOMJKKLBJAQZNK-WKILWMFISA-N 396.447 2.508 0 40 GFAB O=C1COc2ccccc2CCCCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1 2037985417 JIGAJMDJTNGREV-RBBKRZOGSA-N 398.478 2.927 0 40 GFAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccccc1 4315849 AFFSTJFSFDKYPH-IMFGXOCKSA-N 387.457 2.592 0 40 GFAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccccc4C)no3)c2N)c1 6868225 ILNCGFHVCJRTQO-UHFFFAOYSA-N 378.392 2.892 0 40 GFAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SCC(N)=O)cc1 8606695 NZZFYNLFMYJPIN-UHFFFAOYSA-N 387.486 2.795 0 40 GFAB COc1cccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 9040656 ATCUUDMCLZXWRN-ZDUSSCGKSA-N 383.404 2.599 0 40 GFAB COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O 9418695 RKVMJAFWHOIPRD-QGZVFWFLSA-N 399.369 2.568 0 40 GFAB CCc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1 11697868 RWPIHJUIYTVWGU-UHFFFAOYSA-N 398.492 2.568 0 40 GFAB Cc1cc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)n2nc(C)cc2n1 1775978209 OUUOTXMGMVOPCE-UHFFFAOYSA-N 375.436 2.723 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)c3sc(-n4cccc4)nc3C)C2)nc(C)n1 606440915 UPQRPFJZIQMBBO-OAHLLOKOSA-N 383.477 2.943 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4275773 NDCYNMROTZEGBX-UHFFFAOYSA-N 395.506 2.520 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2C(N)=O)C1 4280312 NMBPVDWVYWSVAD-UHFFFAOYSA-N 387.461 2.922 0 40 GFAB COc1ccc2c(CC(=O)NCC3CCC(C(=O)O)CC3)cc(=O)oc2c1C 2107721 QBTUAXVTKIGPIW-UHFFFAOYSA-N 387.432 2.660 0 40 GFAB biogenic CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 2801814 MRWQYZRQFBDJGN-FZMZJTMJSA-N 385.247 2.653 0 40 GFAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN([C@H](C)C(=O)NC2CC2)CC1 40040306 ITXPOAALGLATAL-UONOGXRCSA-N 391.466 2.777 0 40 GFAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 50023815 VTKWAOZINWRPQE-UHFFFAOYSA-N 399.454 2.952 0 40 GFAB Cc1ccc2c(O)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cnc2n1 40122796 SODMWEPEHVCWQW-UHFFFAOYSA-N 389.415 2.694 0 40 GFAB O=C(Nc1cccnc1N1CCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 40114398 JIXBQAWOYWWXTM-GOSISDBHSA-N 378.476 2.712 0 40 GFAB COCCN(Cc1ccccc1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 31483867 WYWWRAPTGXOJEZ-UHFFFAOYSA-N 376.478 2.655 0 40 GFAB CCCc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1 31811707 BVGRKQTUMNMIDA-UHFFFAOYSA-N 397.507 2.724 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc4cc[nH]c4c3)c2c1 32124043 SSJRSIOXZWHSTN-UHFFFAOYSA-N 376.416 2.955 0 40 GFAB biogenic O=C(NCCOc1ccccc1F)NCc1ccccc1CN1CCCC1=O 32779657 PUAUVEVPMXPNMF-UHFFFAOYSA-N 385.439 2.826 0 40 GFAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCOCC2)cc1 21822489 CSJFRLZMCMCQCE-UHFFFAOYSA-N 383.448 2.608 0 40 GFAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccc(Cl)c(Cl)c2)N1 12113428 CEPSUMKIWRMETE-MEBBXXQBSA-N 382.247 2.623 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(F)c1 47032813 FHTIWPLQMMTPCG-QGZVFWFLSA-N 394.468 2.568 0 40 GFAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)cc1 1361378 BYRSWMNDUWGEOS-UHFFFAOYSA-N 382.449 2.660 0 40 GFAB COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 1381172 BXAYCYYHHNDRHL-GUYCJALGSA-N 375.446 2.950 0 40 GFAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(Br)ccc1Cl 79042515 QXWPYFSSCSJPGG-SECBINFHSA-N 382.707 2.998 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC(C2(C)OCCO2)CC1 79073772 QXJJCIWYGCSZBQ-INIZCTEOSA-N 382.501 2.778 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1Cl 22619859 CFHJWRPFULOSES-GOSISDBHSA-N 394.924 2.917 0 40 GFAB CC(C)OC(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4142477 BUIRXUKDPLWXQU-UGNRZPKXSA-N 394.439 2.769 0 40 GFAB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OCC(N)=O)cc12 798273 BINJMXXMMWAZHV-UHFFFAOYSA-N 382.416 2.988 0 40 GFAB O=C(CN1CSCC1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 23055142 VKBKZTAJLNDDOZ-YGXOJQJDSA-N 378.497 2.933 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCCCNC(N)=O 8030590 PDKUJYQXOFRZIM-UHFFFAOYSA-N 389.283 2.619 0 40 GFAB C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 19174101 PNDPBWRYPFRMQK-OSONQDNFSA-N 390.549 2.988 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C2=O 84207867 XUMGEKJXOYCOIR-LIRRHRJNSA-N 397.450 2.538 0 40 GFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1 12526302 CXWALDKSQWRZAC-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 58894110 JVIXJJIPARUNND-ZDUSSCGKSA-N 382.424 2.871 0 40 GFAB O=C1OCCN1c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 84387647 OGJHFGXWILWIND-IRXDYDNUSA-N 376.478 2.770 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)[C@H](C)N2Cc3ccccc3C2=O)c1 72401345 XDPSDWYDCUJTAW-HNNXBMFYSA-N 377.444 2.811 0 40 GFAB CC(C)(C)NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491591 HGWHNBYXZRLMOA-UHFFFAOYSA-N 391.880 2.782 0 40 GFAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10082775 YJMNLCSFOBCKBX-UHFFFAOYSA-N 389.455 2.990 0 40 GFAB O=C(CN1CCC(NC(=O)c2cccs2)CC1)Nc1ccc(F)c(F)c1 58178502 RXZGJCIZMQGCRG-UHFFFAOYSA-N 379.432 2.859 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 3340908 JQRFGXHSCAOQJK-UHFFFAOYSA-N 384.457 2.888 0 40 GFAB COc1ccc(CCN2C[C@H](C(=O)N(C)c3ccccc3)CC2=O)cc1OC 36264307 FQABGHBGEPDVCM-QGZVFWFLSA-N 382.460 2.758 0 40 GFAB Cc1nn([C@H](C)CCNS(=O)(=O)c2cnn(C(F)F)c2C)c(C)c1Cl 36614741 KQOMLQGUBJYPIR-MRVPVSSYSA-N 395.863 2.983 0 40 GFAB COc1ccc(-c2cc(C(F)F)nc(N3CCC(C(N)=O)CC3)n2)cc1OC 36618680 YIQIAFLOVTYVTL-UHFFFAOYSA-N 392.406 2.800 0 40 GFAB CCCC(=O)NC[C@H]1CCCN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)C1 60360698 OYOIEFWEPOFFMN-MRXNPFEDSA-N 388.508 2.890 0 40 GFAB CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1 2635007 MQLKKNJVNQSJSH-UHFFFAOYSA-N 387.432 2.918 0 40 GFAB COc1cc(CC(=O)Nc2ccccc2N2CCOCC2)cc(OC)c1OC 2661047 AGEOHDGSVUIMIS-UHFFFAOYSA-N 386.448 2.730 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3467703 AGXLKPAHGXDRLU-UHFFFAOYSA-N 388.729 2.946 0 40 GFAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)cc1 12980121 XJSFMZVWCLWAQB-UTKZUKDTSA-N 388.464 2.520 0 40 GFAB CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)c3ccsc3)cc2)CC1 12917955 KNEBDUJFYUSIAL-UHFFFAOYSA-N 393.534 2.715 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1C2CC3CC(C2)CC1C3 12905410 GFOBFOHAUDIOHM-UHFFFAOYSA-N 392.521 2.956 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1C(=O)C[C@]2(CCSC2)C1=O 63901521 SZVFZPKSNMKEMJ-IERDGZPVSA-N 391.533 2.914 0 40 GFAB Cc1csc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCOCC2)n1 64187152 RLXLQQZLTGVSAX-UHFFFAOYSA-N 378.425 2.821 0 40 GFAB CC(=O)/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)NCc1ccccc1 13517587 UNRKMZRNIKTCPN-UZYVYHOESA-N 386.864 2.964 0 40 GFAB O=C([C@H](Sc1nnnn1C1CCCCC1)c1ccccc1)N1CCOCC1 14245451 YPBOYPLTMVSRBF-QGZVFWFLSA-N 387.509 2.871 0 40 GFAB COc1cccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1 6810920 FFYKJVXTKOUUSX-OAHLLOKOSA-N 377.437 2.664 0 40 GFAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CCC2=O)cc1 5871201 ZNKSICVYKHEEMP-IBGZPJMESA-N 391.427 2.522 0 40 GFAB CN(Cc1ccsc1)C(=O)COC(=O)c1cc(Br)ccc1N 7695085 CTGGTOVKOVSSHX-UHFFFAOYSA-N 383.267 2.908 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(-c2nnco2)cc1 7774272 YQMMXSKBYGSHTD-UHFFFAOYSA-N 382.376 2.721 0 40 GFAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 16554323 QBYZZWMLXXHCRZ-NSHDSACASA-N 387.461 2.830 0 40 GFAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)n1C1CC1 8191714 PCHIXVIYYWGUFG-UHFFFAOYSA-N 385.445 2.675 0 40 GFAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 22332410 WZZLTQMJLNLODV-INIZCTEOSA-N 390.505 2.955 0 40 GFAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@@H]1CCN(c2ccccc2)C1=O 95465609 OUGGYMUBQWIXFM-APWZRJJASA-N 392.377 2.748 0 40 GFAB COc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)cc1 409353710 QAPLHIWCYAYBMF-SFHVURJKSA-N 394.349 2.962 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c1 1556858459 BWGASKYHVBFECS-ZDUSSCGKSA-N 395.463 2.983 0 40 GFAB COc1ccc(CN(C)C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1F 23734764 XDUNLCBCKAEDCG-UHFFFAOYSA-N 384.407 2.787 0 40 GFAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 408623470 UMSFGXCPXLNDOF-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(Br)cc2)c1 121595233 VKMNCMGHDMEGNK-UHFFFAOYSA-N 399.266 2.618 0 40 GFAB COc1ccc(CNC(=O)NCc2ccn(Cc3ccccc3)n2)cc1OC 556306001 TZRRTCSNFMLPKS-UHFFFAOYSA-N 380.448 2.948 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)cc1C 408558997 UZZJBVGRBBQQJJ-INIZCTEOSA-N 382.526 2.663 0 40 GFAB CSc1ccccc1NC(=O)Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 38488428 AUJIKVAVKABTNC-CQSZACIVSA-N 393.534 2.763 0 40 GFAB COc1ccc(CN2CCCN(C(=O)c3ccc4c(c3)nc(O)n4C)CC2)cc1 518632202 HBZHVWMXFXFGJV-UHFFFAOYSA-N 394.475 2.636 0 40 GFAB COc1ccc(CN(Cc2ncccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 528337734 FAVUBMPEGYUFHA-HNNXBMFYSA-N 380.897 2.933 0 40 GFAB c1ccc(-c2cc(CN3CCN(Cc4ccccn4)CC3)c3nnnn3c2)cc1 72392379 JNQLTHIBINGLNH-UHFFFAOYSA-N 385.475 2.504 0 40 GFAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCN(C(=O)c3scnc3C)C2)n1 72374670 NVEYYAHQBTYMIW-ZDUSSCGKSA-N 380.477 2.824 0 40 GFAB O=C(CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2)Nc1ccccc1Cl 9526723 GJSRYHYKXROGRQ-UHFFFAOYSA-N 396.878 2.690 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218607806 DGOJOBKVXMEEOL-RYRKJORJSA-N 397.855 2.679 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349705 VEHSBKXKVCWMOS-LJQANCHMSA-N 397.494 2.850 0 40 GFAB CN(Cc1ncc(C(=O)O)c(Nc2ccccc2)n1)S(=O)(=O)c1ccccc1 49469739 UKRUDSAWHKWEET-UHFFFAOYSA-N 398.444 2.739 0 40 GFAB Cn1c(CN2CCN(CC(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21 49372153 YIWPCBORQGIBRY-UHFFFAOYSA-N 397.910 2.983 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 223821949 ITBZHWMXPNAWSL-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccccc2OCC)cc1 224584481 CYJRSNJTBSZINE-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB O=C(NCCn1ccc2ccc(Cl)cc21)[C@@H](c1ccccc1)n1cnnn1 95482663 FPFZZMHMCZUZRH-GOSISDBHSA-N 380.839 2.687 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(c1ncccn1)C2 96056054 FRCWCSMHJCYLLJ-PXNSSMCTSA-N 386.521 2.820 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NCCn3ccc(C(F)(F)F)n3)c2O1 96098999 KFMNTSVWSNDIDJ-UHFFFAOYSA-N 383.370 2.811 0 40 GFAB Cc1ccccc1N1C[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 96238625 DSENSZKJKXETFD-FQEVSTJZSA-N 388.464 2.952 0 40 GFAB Cc1nccc(C(=O)N2CC[C@@H](Cc3cnc(-c4c(C)noc4C)cn3)C2)n1 257216995 CXASHAUZTIJGNH-HNNXBMFYSA-N 378.436 2.552 0 40 GFAB CC(=O)N1CCC(c2cncc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 257285805 PIYRTGBZKKZXIB-GOSISDBHSA-N 380.448 2.770 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)Cc3cccnc3)C2)ncn1 257307694 SZVWXXCOEMCDDJ-KRWDZBQOSA-N 377.448 2.777 0 40 GFAB CC(C)(C)n1nnc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)n1 653556752 HNNGSZUDWBMUCK-UHFFFAOYSA-N 381.402 2.940 0 40 GFAB Cc1ccc(F)c2oc(C(=O)NC[C@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)cc12 1615589562 INRDCMFEJXNMGY-YJYMSZOUSA-N 398.438 2.872 0 40 GFAB O=C1C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1 47267022 UVTOYEDOUUGESR-MRXNPFEDSA-N 398.406 2.957 0 40 GFAB COCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)OC)cc1C 55622273 XNMDJLIZKUDBKX-UHFFFAOYSA-N 393.461 2.916 0 40 GFAB CC(C)C[C@H](CCC(=O)N1C[C@H](C)O[C@H](C)C1)C(=O)N1C[C@H](C)O[C@H](C)C1 84705848 AMVBREKNZILUQJ-APAFKAMOSA-N 382.545 2.701 0 40 GFAB CCc1c(C)sc2ncn(C3CCN(C(=O)[C@H]4CCCO4)CC3)c(=O)c12 12145458 UYZHFIKEBXGGDG-OAHLLOKOSA-N 375.494 2.671 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)c3ccnc(OC)c3)cc2n1 12276474 RXRMETLMMNRMKK-MRXNPFEDSA-N 381.436 2.768 0 40 GFAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)Nc3cc(C)on3)nc2-c2ccco2)on1 13226182 IORGXYZCWARKBW-LBPRGKRZSA-N 395.375 2.963 0 40 GFAB CCC1(CC)COP(=O)(OCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)OC1 17991966 YKWZENVBPMZPQW-NMWPEEMBSA-N 383.381 2.771 0 40 GFAB CCn1cc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)c3ccccc3n2)cn1 19716535 MAXGMBODFQTZJU-MRXNPFEDSA-N 393.491 2.569 0 40 GFAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N1CCOCC1 19751856 RIGYKSJJSXJIEE-IBGZPJMESA-N 394.475 2.625 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)Cc2ccc3c(c2)OCO3)on1 12160019 IMIYYKPKGDZSDO-UHFFFAOYSA-N 380.404 2.678 0 40 GFAB CC(C)(C)c1cc2nc([C@H]3CCN(C(=O)CCc4ccno4)C3)cc(O)n2n1 12162086 IFWYOOAQQBJKKB-ZDUSSCGKSA-N 383.452 2.669 0 40 GFAB Cc1nc(C)n([C@H](C)CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)n1 12669264 OSNNTNAQZIFSSV-CYBMUJFWSA-N 395.467 2.697 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2cccc(F)c2)c1 6627749 WLSYMCMPKKDLTC-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB Cc1noc([C@@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@H]2c2ccccc2)n1 238910169 SDHUMWXADQBVQG-JKSUJKDBSA-N 388.449 2.555 0 40 GFAB COc1ccccc1S(=O)(=O)N1C[C@H](c2ccccc2)[C@H](c2nc(C)no2)C1 238924169 UMCXUMIOMNUZSP-IAGOWNOFSA-N 399.472 2.959 0 40 GFAB COc1ccc2c(c1)OCCN(C)CCCC[C@@H]1[C@H](OC)CCCN1C2=O 2037985413 JFOHXJVMGNUDCC-RTBURBONSA-N 376.497 2.809 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NC[C@H]2CCCO2)c1-c1ccccc1 5300077 SJBZCKYGLNLFPN-OAHLLOKOSA-N 384.432 2.645 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2C1=O 8961601 OVWJWHNIPFTOES-UHFFFAOYSA-N 380.853 2.995 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)c(C)c3)CC2=O)cc1 9035897 CHTVNMDEWYBSSP-MRXNPFEDSA-N 388.489 2.643 0 40 GFAB CCOC(=O)[C@@H]1CCc2c([nH]c3c(C(N)=O)cc(F)c(Br)c23)C1 1772714988 LWUFHKDWWXEEGI-SSDOTTSWSA-N 383.217 2.836 0 40 GFAB Cc1noc(-c2sccc2NC(=O)CCn2cnc3ccccc3c2=O)n1 206666135 CUICFTFQYATRNA-UHFFFAOYSA-N 381.417 2.845 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCc2cn(-c3ccsc3)nn2)n[nH]1 575618257 KQDPPYKUBLTYIJ-UHFFFAOYSA-N 380.433 2.658 0 40 GFAB C[C@@H](C(=O)Nc1cc(OCc2ccccc2)ncn1)n1nc(C2CC2)ccc1=O 585149980 USUYTARMHHGYFP-AWEZNQCLSA-N 391.431 2.689 0 40 GFAB NC(=O)C1CCN(C(=O)Cc2csc(Nc3cccc(Cl)c3)n2)CC1 16850340 SLTXHGFNXWEWLQ-UHFFFAOYSA-N 378.885 2.807 0 40 GFAB O=C(Cc1csc(-c2ncccn2)n1)Oc1ccc(N2CCCC2=O)cc1 40146580 KUHWYCYALNFMGT-UHFFFAOYSA-N 380.429 2.875 0 40 GFAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 810019 ZWVIAVYOZIDSAK-UHFFFAOYSA-N 387.505 2.637 0 40 GFAB O=C(NC(=S)Nc1ccc(I)cc1)c1cccnc1 855943 HKGIPGAFEJJHIA-UHFFFAOYSA-N 383.214 2.813 0 40 GFAB O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1O 1320692 VAOYBSLOXUPWOK-QFIPXVFZSA-N 380.444 2.643 0 40 GFAB COc1ccc(C[C@@H](CO)[C@H](CO)Cc2ccc(OC)c(OC)c2)cc1OC 1583432 RCYOEYNMEUHMEP-ROUUACIJSA-N 390.476 2.723 0 40 GFAB biogenic,in-vitro COc1ccc(CCNC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 1621993 BFGSNXDOSDEWHG-UHFFFAOYSA-N 388.464 2.805 0 40 GFAB COc1ccccc1N1CCN(C(=S)NC(=O)/C=C/c2ccccc2)CC1 2321354 QZVFPIARCWKQCM-VAWYXSNFSA-N 381.501 2.932 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)cc1 2409393 VZIJOZGGJRVLHR-UHFFFAOYSA-N 387.440 2.846 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3c4ccccc4C[C@@H]3C)C2=O)cc1 2621794 LWERJGKREADVAT-NYHFZMIOSA-N 377.444 2.740 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc(SC)cc2OC)cc1 3246245 BKRXMNMSLFDSHD-UHFFFAOYSA-N 375.446 2.899 0 40 GFAB CCCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCCCC 4429770 VDDKBRLGEMPLKQ-QGZVFWFLSA-N 399.509 2.719 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)N2CCCCC2)CSC3)cc1 4941681 UXFKFKNSCVVKHM-UHFFFAOYSA-N 386.477 2.579 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1c(F)cccc1F 5075974 IMHKGHPZXWGWHN-UHFFFAOYSA-N 382.388 2.766 0 40 GFAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NCc1ccc2c(c1)OCO2 5656047 GMJQNSZUJXXNEA-SNVBAGLBSA-N 376.796 2.513 0 40 GFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 6104185 ASAIBDGUWXOSIE-RDTXWAMCSA-N 379.478 2.918 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccccc1I 6222428 ALWHPSLTCNMERY-IOQCUFBNSA-N 379.197 2.993 0 40 GFAB O=C(COC(=O)Cc1ccsc1)Nc1cc(Cl)ccc1-n1cncn1 6423585 GJQQVQKOFVTNIW-UHFFFAOYSA-N 376.825 2.707 0 40 GFAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCc3cccc(C)c3)C2=O)cc1 6565452 UVENQFZZEOVETA-NBVRZTHBSA-N 379.416 2.650 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 6778760 QSRPLFICWSVNDH-HNNXBMFYSA-N 384.379 2.896 0 40 GFAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O 6951657 KJHQMJZFXFYQEI-GZTJUZNOSA-N 383.379 2.756 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 7652997 FIBBJFPCBSJHIL-UHFFFAOYSA-N 385.855 3.000 0 40 GFAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)n2nc(-c3ccccc3)nc2N[C@@]1(C)O 7714575 WEMRBBSUMDJKDY-FIKGOQFSSA-N 378.432 2.848 0 40 GFAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1COc2ccccc2O1 7923150 ZELJGRQRIOAJDD-QGZVFWFLSA-N 375.808 2.958 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CC(C)C)c1 8392975 GXURAHVHKBBACZ-UHFFFAOYSA-N 397.541 2.538 0 40 GFAB CCCCn1nc(C(=O)NCc2ccc(C(=O)O)cc2)c2ccccc2c1=O 8429570 ZQUQWIVQAXRBLZ-UHFFFAOYSA-N 379.416 2.825 0 40 GFAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)c2ccc(CNC(C)=O)s2)n1 9113478 HXTSZRCCNMONPC-JTQLQIEISA-N 379.507 2.784 0 40 GFAB Cc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)c(C)c1 9659588 DKQPPTGLGRVUCT-UHFFFAOYSA-N 388.427 2.887 0 40 GFAB Cc1csc(=O)n1CCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752424 SQVLAVDBGYEHKG-UHFFFAOYSA-N 377.447 2.628 0 40 GFAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)CC(C)(C)C)c1=O 12072071 CHXWAKWCSAGWOO-UHFFFAOYSA-N 381.480 2.502 0 40 GFAB COCC(=O)N(Cc1ccccc1)Cc1nc(N(C)C)ncc1-c1ccccn1 12089210 GLCKOFFUSPTGCY-UHFFFAOYSA-N 391.475 2.780 0 40 GFAB COc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1 12188444 BCFCRJKXPFKJAB-NRFANRHFSA-N 386.467 2.995 0 40 GFAB O=S(=O)(NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1)c1ccc(F)cc1 12197403 VQMLTYHAUYCYCT-QGZVFWFLSA-N 392.452 2.670 0 40 GFAB Cc1onc(-c2ccncc2)c1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C 12203626 OFXDLTINLPAALN-INIZCTEOSA-N 394.431 2.806 0 40 GFAB O=C1CCCC[C@H]1CCC(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12253865 ZSCSYGGQCXVTSC-SFHVURJKSA-N 383.492 2.929 0 40 GFAB CCCN1C[C@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)C1 12364772 KFOYXHFCBZKNLV-UXHICEINSA-N 396.487 2.961 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)Nc1ccc(Cl)cc1 12440042 HCOSMNWTGZEKNX-UHFFFAOYSA-N 388.836 2.918 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(Br)ccc1O 12774094 CRZNTLCNYHLDLL-UHFFFAOYSA-N 378.222 2.898 0 40 GFAB Cn1nnnc1SCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 14075568 IZUDIELVUCDYCI-UHFFFAOYSA-N 388.434 2.917 0 40 GFAB O=C(COc1ccc(NC(=O)c2ccco2)cc1)NCc1ccc2c(c1)OCO2 14117282 NPHOVELEEZGVHM-UHFFFAOYSA-N 394.383 2.956 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 16188438 YMCHQGZMQSJWPB-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB COc1cccc(CN(C)S(=O)(=O)c2cccc3nsnc23)c1OC 19079512 RCQBZTFOWYTLGR-UHFFFAOYSA-N 379.463 2.529 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(C)cc3)ncc2C1 19209775 HDGDITLGHBIBRW-OAQYLSRUSA-N 392.503 2.986 0 40 GFAB COc1ccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C(C)C)cc1 19445645 VTRSVJLREKNDGQ-OAQYLSRUSA-N 392.459 2.897 0 40 GFAB CCn1c(C)cc(C(=O)COC(=O)C2CCN(C(=O)c3ccco3)CC2)c1C 19483344 OPROPWYAWJYERS-UHFFFAOYSA-N 386.448 2.996 0 40 GFAB COc1nc(C)c(CC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)c(OC)n1 19579471 XLGRIBAYWYCRAQ-KRWDZBQOSA-N 398.488 2.901 0 40 GFAB CN(C)[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccc2c(c1)OCO2 19581497 LNMSTCIERDYWNW-GOSISDBHSA-N 396.422 2.773 0 40 GFAB CN1CCC2(CC1)CN(CC(=O)N1CCCCCCC1)C(=O)c1ccccc1O2 19588380 ISIUJRLENNEMMQ-UHFFFAOYSA-N 399.535 2.778 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCc3nnc([C@@H]4CCCN4)n3CC2)c1C 19706431 OZRFJQYPNLZBTD-KRWDZBQOSA-N 397.523 2.562 0 40 GFAB O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 20503263 WWPZSEBPQGPVGO-DOTOQJQBSA-N 377.444 2.615 0 40 GFAB biogenic,in-vitro C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1 22537729 HTEXCAFTASXDTK-CQSZACIVSA-N 378.469 2.886 0 40 GFAB COc1cccc(OCc2nnc(SCCOc3ccc(F)cc3)n2N)c1 22988396 BPWMZKHBYZGSSW-UHFFFAOYSA-N 390.440 2.890 0 40 GFAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1OC(F)F 24076571 WBIKYZMWDXPUIC-CYBMUJFWSA-N 394.374 2.555 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)CCn2cnc3ccccc32)cc1F 24707099 GRJUGSFUTOBCFF-CYBMUJFWSA-N 377.441 2.865 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(Cn3ccccc3=O)o2)c(C)c1 24937330 FNCQUJPMVRCZEY-UHFFFAOYSA-N 393.443 2.783 0 40 GFAB COCCN(CC(=O)N1CCc2ccccc21)Cc1nnc(-c2cccs2)o1 24991482 PIJNBONWUCCAJM-UHFFFAOYSA-N 398.488 2.836 0 40 GFAB CC(=O)Nc1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1 25554315 SKNOSFVBHLFODN-QGZVFWFLSA-N 388.855 2.714 0 40 GFAB O=C(CCc1nnc(-c2ccsc2)o1)NCc1cccnc1-n1ccnc1 29909973 OEOKGGAUUKOQPM-UHFFFAOYSA-N 380.433 2.628 0 40 GFAB C[C@H](NC(=O)CSc1nc(O)c2c[nH]nc2n1)C12CC3CC(CC(C3)C1)C2 30587875 FVHOPOYUCXHYOW-INROXSABSA-N 387.509 2.872 0 40 GFAB C[C@@H](Sc1nc(NC2CC2)c2ccccc2n1)c1nc(N)nc(N(C)C)n1 31785364 NKQJQGRWOQUBHG-SNVBAGLBSA-N 382.497 2.891 0 40 GFAB COc1ccccc1N1CCN(c2ccc(N)cc2C(=O)N2CCCC2)CC1 35703630 RCACGDBGGMPBGS-UHFFFAOYSA-N 380.492 2.840 0 40 GFAB O=C(Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)NC1CC1 38715874 YOYBEYDZZKAPRC-UHFFFAOYSA-N 381.457 2.857 0 40 GFAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)NC1=S 39556318 ZLEKFENEEUOHBX-ATVHPVEESA-N 396.516 2.731 0 40 GFAB CSc1ccccc1C(=O)NCC1CCN(C(=O)c2snnc2C)CC1 43986673 ORSISNLMWPGSCF-UHFFFAOYSA-N 390.534 2.851 0 40 GFAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2c(F)cccc2s1 46051588 JYKIUBNTGNKBEH-CJNGLKHVSA-N 378.469 2.508 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1nc2ccccc2nc1C 46114666 IIJYGOZBSXRHJA-CQSZACIVSA-N 399.472 2.889 0 40 GFAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](C(F)(F)F)C1 58044740 GPPPKTDQTXGWDG-ZFWWWQNUSA-N 385.365 2.705 0 40 GFAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO 67316770 HXVUGDQOJHJUHL-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB COc1cccc(OCc2ccc(C(=O)N[C@H](C)C(=O)N3CCCCC3)o2)c1 72249889 BGGDEELIWJAKCO-OAHLLOKOSA-N 386.448 2.998 0 40 GFAB Cc1cccc(Nc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)n1 72353303 TVZXFTORGUAAPJ-HNNXBMFYSA-N 375.498 2.514 0 40 GFAB Cc1ccc(Nc2nccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)nc1 72377587 VEYHOLCNOZHCMZ-KRWDZBQOSA-N 380.496 2.725 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H]2c2cncc(-n3ccnc3C)n2)cc1 72378375 RVUBLNKIIMCPNY-IBGZPJMESA-N 377.448 2.886 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2ccc(-c3ccc(F)cc3)cc2)(C(=O)NC)C1 72389311 YGKKYFUPBCABOL-JOCHJYFZSA-N 384.451 2.789 0 40 GFAB COc1cc(/C=C/C(=O)N2CCC(Oc3cnccn3)CC2)cc(OC)c1OC 90607670 LGXUVGIYTMAJMR-SNAWJCMRSA-N 399.447 2.586 0 40 GFAB O=C(COC(=O)Cc1n[nH]c2ccccc12)N[C@H]1CCCC[C@@H]1C(F)(F)F 95389967 JPWNSSDUCPVZGT-JSGCOSHPSA-N 383.370 2.886 0 40 GFAB COc1cc(-c2nc(CC(=O)N[C@@H](CO)C(C)C)cs2)cc(OC)c1OC 95471325 HNOLSGTWWBYGFO-AWEZNQCLSA-N 394.493 2.512 0 40 GFAB CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(Br)cc1Cl 95945892 QHBUXKVOYUHOBO-ZCFIWIBFSA-N 377.087 2.805 0 40 GFAB COc1cccc(CN2[C@@H]3CCC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1 100146442 ABJIKTQFPVRRND-RTBURBONSA-N 383.492 2.509 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220501352 RQCPJSQIEKGRSM-GOSISDBHSA-N 390.505 2.865 0 40 GFAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 222605808 PXQMBAISIJERMH-SJLPKXTDSA-N 382.526 2.570 0 40 GFAB Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n[nH]1 223282953 SNXMNKNABHGLRX-UHFFFAOYSA-N 384.417 2.631 0 40 GFAB COc1ccc(CCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225315321 GXGRFTYOODJKLL-UHFFFAOYSA-N 393.534 2.620 0 40 GFAB Cc1nc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)co1 225890562 UCSHFMUHYKCZDR-HXUWFJFHSA-N 391.427 2.750 0 40 GFAB CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCN(CC)CC1 226277990 JPOGNXNYXGNLAO-UHFFFAOYSA-N 387.402 2.530 0 40 GFAB O=C(NCc1ccc(F)cc1)NCc1nnc2ccc(-c3ccsc3)nn12 238827544 FCMSOXYIMJLCCG-UHFFFAOYSA-N 382.424 2.991 0 40 GFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 245130816 UYYGFNRYRGBTKR-ZDUSSCGKSA-N 386.399 2.810 0 40 GFAB CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 253406607 UTMHKJJPCKUKPC-ZDUSSCGKSA-N 396.852 2.615 0 40 GFAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)NC3CCCCC3)CC[C@H]21 257304740 SMZCJICUKJOIJG-YPAWHYETSA-N 383.536 2.772 0 40 GFAB O=C(NCc1cn(-c2ccncc2)nn1)c1ccc(Oc2nccs2)cc1 390832258 YGDVOIKAMPMVFW-UHFFFAOYSA-N 378.417 2.841 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1C 408619007 HMPQAUAHBMCASE-GFCCVEGCSA-N 398.431 2.977 0 40 GFAB CN(c1ccccc1C(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 409339899 MPEUXTBUOQRRGQ-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB O=C(NC[C@@H]1COCCN1)Nc1ccc(Cc2nc3ccccc3s2)cc1 528665826 GIVOWOGEWOLYOW-MRXNPFEDSA-N 382.489 2.997 0 40 GFAB CC(C)c1cccc(O[C@@H](C(=O)NC[C@@H](C)S(N)(=O)=O)c2ccccc2)c1 542919518 AKOATBZUXUKFEE-DNVCBOLYSA-N 390.505 2.723 0 40 GFAB O=C(N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1)C12CC3CC(CC(C3)C1)C2 575406133 WLFCTDUHRSTIHS-QQABJKMWSA-N 383.492 2.832 0 40 GFAB O=S1(=O)CCN(c2cccc(N[C@@H]3CCN[C@@H](c4ccccc4)C3)c2)CC1 580049416 SDNUXHZONBGNEG-TZIWHRDSSA-N 385.533 2.827 0 40 GFAB O=C(NC1CC1)c1cccc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 583478291 WOAFKOOPUXICBQ-KOMQPUFPSA-N 388.464 2.942 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CN3CC3CCCCC3)C2)c1 585107896 CQQMRIZIHURUTE-PXNSSMCTSA-N 378.538 2.970 0 40 GFAB O=C(NCC[C@H]1CC1(F)F)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 621500472 RRSAHGLOYPXHJF-GXTWGEPZSA-N 379.386 2.744 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)CCO1 669505551 INFJDUDIEOWYIN-HIFRSBDPSA-N 387.461 2.733 0 40 GFAB CCn1cc(C(=O)N2CCC[C@H](N(C)C(=O)Cc3cc(C)ccc3OC)C2)cn1 1615610374 AVKMZNCZUJXVIE-IBGZPJMESA-N 398.507 2.526 0 40 GFAB COc1cccc(C(=O)N2CCC(Oc3ncc(Br)cn3)CC2)c1 1775976263 XKUTVQYIMZMGNL-UHFFFAOYSA-N 392.253 2.931 0 40 GFAB Cc1nc(C2CC2)nc(N2CCN(c3ncc(Br)cn3)CC2)c1F 1888863634 DREKJTBRDNSKBF-UHFFFAOYSA-N 393.264 2.681 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988605 ADJYNCXSVDWGNX-UHFFFAOYSA-N 382.382 2.595 0 40 GFAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccc(OC)cc3)n2)cc1OCC 932007 LEUXEJSTWKNISY-UHFFFAOYSA-N 397.435 2.785 0 40 GFAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2124291 KKGJKNOQCPDVMW-DJJJIMSYSA-N 381.384 2.811 0 40 GFAB biogenic O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccc(Br)cc2)cs1 2474906 PUZYLZKAOFZXJU-UHFFFAOYSA-N 394.250 2.660 0 40 GFAB COC(=O)c1cc2nc(NCn3nnc4ccccc43)sc2cc1C(=O)OC 3018493 AVYTUYXLXXVGCQ-UHFFFAOYSA-N 397.416 2.684 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(C)cc1O 3494765 PKXJWAWHSWDXJD-UHFFFAOYSA-N 384.432 2.517 0 40 GFAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@@](=O)C3)cc1 4106137 QYLQHGQIZREGIS-MUUNZHRXSA-N 397.456 2.904 0 40 GFAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(Cl)cc3)nc21 4338356 PDYSFADGQPKTPP-UHFFFAOYSA-N 395.806 2.537 0 40 GFAB CC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1 4571572 CJBKTOAKRRDLAY-UHFFFAOYSA-N 385.508 2.917 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1C 4984805 JAEXTBAOBNTPLS-IBGZPJMESA-N 377.444 2.893 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 5313161 IFXMFBIYBSJMGP-QRWLVFNGSA-N 389.521 2.704 0 40 GFAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2sccc2C(N)=O)c1 5357837 VQULXIQCLIGHSU-UHFFFAOYSA-N 387.490 2.775 0 40 GFAB O=C(CSc1cccc2cccc(Cl)c12)OCC(=O)N1CCOCC1 5468884 JSEZLESKBPPWRR-UHFFFAOYSA-N 379.865 2.987 0 40 GFAB CCCCN(C(=O)c1cc2c(s1)CCC2)c1c(N)n(CCC)c(=O)[nH]c1=O 5937911 NFXXHBVZNDFREG-UHFFFAOYSA-N 390.509 2.526 0 40 GFAB Cc1nnc(S/C(=C\c2ccc(I)o2)C(=O)O)[nH]1 6588274 NWHOSHHEHRTYLQ-DAXSKMNVSA-N 377.163 2.529 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 7440973 BNNUOCZLWROOMB-UHFFFAOYSA-N 385.807 2.865 0 40 GFAB O=c1c2ccccc2nnn1CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7777329 WWQMTWASOIVRIE-GOSISDBHSA-N 378.432 2.747 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)c1nn(C)c(=O)c2ccccc12 8779692 VPUDBLWRCPQJSA-UHFFFAOYSA-N 376.460 2.806 0 40 GFAB CCOC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc1N 8787838 GHZOTQGVKQRTJO-LLVKDONJSA-N 388.449 2.557 0 40 GFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCCN(C(C)C)C(C)C 8878935 FGYBNBDZKJHVEM-GOSISDBHSA-N 383.483 2.954 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSc2nnnn2C2CCCC2)n1 9672618 DDVZENIQUMAEKV-UHFFFAOYSA-N 399.484 2.600 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)NCCCOCc1ccccc1 9690268 XOGMOZYOSWKIEA-UHFFFAOYSA-N 382.460 2.915 0 40 GFAB O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 10003836 XVLYUDPDJQYHFG-UHFFFAOYSA-N 380.223 2.700 0 40 GFAB COCCn1cc(C(=O)N2CCC(C)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 10062694 OGNJRLCDKUQKHQ-UHFFFAOYSA-N 394.475 2.657 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccc(F)c4)cnc32)cc1C 10252025 QSENLOBILUEBHG-UHFFFAOYSA-N 377.379 2.722 0 40 GFAB COC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10314438 GBXGWLBRVKZKMR-CQSZACIVSA-N 376.478 2.869 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1nc2ccccc2[nH]1 11660311 KTRVCGAZPDBVDL-UHFFFAOYSA-N 382.439 2.800 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2cccc(F)c2F)n1 12160904 XYFYSPCONKDOQK-QRTHJKPMSA-N 389.446 2.778 0 40 GFAB CCOC(=O)CSC1=Nc2c(cnn2-c2cccc(C)c2)C2=NCCCN12 12323451 QLHXRYVGYHDPAB-UHFFFAOYSA-N 383.477 2.930 0 40 GFAB Cc1cc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)nc1-c1ccccc1 12365390 ZPMQTAIXYSFURN-LIMIJEPZSA-N 393.487 2.513 0 40 GFAB COC(=O)c1cccc(CSc2nnnn2-c2cccc(NC(C)=O)c2)c1 12925933 DOPSRLVUBZBQQX-UHFFFAOYSA-N 383.433 2.700 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccsc3)CC2)cc1 12980738 JBFGIIZTOGLCAK-QPJJXVBHSA-N 376.503 2.603 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 13147351 ZLVLCDILEFVYCR-SFGWALBWSA-N 380.444 2.667 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1OC 13581433 OGPYXLDOWAYSIO-UHFFFAOYSA-N 390.505 2.998 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)NCCn1nc(-c2ccccc2)ccc1=O 13604783 RPMLDLYHSJRTAZ-OAHLLOKOSA-N 381.407 2.633 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)c1 14229541 MSYYNGQCUBJOKD-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc2c(c1)OCO2 14240727 GEWPLVZTWXBXSI-SFHVURJKSA-N 390.386 2.764 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1C 16692279 KAQGZLWHXBSOMD-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1ccccc1/C=C(\NC(=O)c1ccc(C)cc1)C(=O)N1CCOCC1 17186345 KSJBDAMLXRBDIX-CYVLTUHYSA-N 380.444 2.633 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)N1C[C@@H]2CCC[C@H](C1)C2N1CCOCC1 19334768 NXXUDMOADSIQBA-JJTKIYQPSA-N 398.956 2.603 0 40 GFAB O=C(Cn1cncn1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 19347916 LTMNONSIRQGRAN-UHFFFAOYSA-N 385.487 2.510 0 40 GFAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19499808 ROQVCIKIWWOHOQ-HZPDHXFCSA-N 399.539 2.954 0 40 GFAB CCc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@H](C)C4)nc3C2)cc1 19522896 LMJBWPRPEXUWOP-IYBDPMFKSA-N 382.508 2.917 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19563473 HGIYAMPEBUMJHV-LLVKDONJSA-N 387.490 2.678 0 40 GFAB CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 19588266 ROWHJXWETCNCJK-UHFFFAOYSA-N 379.508 2.588 0 40 GFAB COc1ncccc1-c1cc(=O)[nH]c([C@H]2CCN(C(=O)c3ccccc3F)C2)n1 19594694 JBHADNKXXASQQB-ZDUSSCGKSA-N 394.406 2.609 0 40 GFAB CN(C)Cc1cc([C@H]2CCCCN2C(=O)Cc2ccc(N(C)C)cc2)nn1C 19709115 XMWLEGUJYINDHZ-OAQYLSRUSA-N 383.540 2.844 0 40 GFAB CN(C)C(=O)c1cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)nc2ccccc12 19754661 DMZKIUOMBNBVKG-INIZCTEOSA-N 388.471 2.890 0 40 GFAB CC(=O)c1ccc(OCCCC(=O)N2CCN(Cc3ccncc3)CC2)cc1 23702211 ADPCZRKEWCHOGX-UHFFFAOYSA-N 381.476 2.788 0 40 GFAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1cccnc1 24608124 UNURHVQDMVLUFT-UHFFFAOYSA-N 397.431 2.713 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)CCn2nnc3ccccc3c2=O)n1 25014066 WBCIMSJOYANWAO-UHFFFAOYSA-N 388.431 2.623 0 40 GFAB COc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(OC)c1 32806175 YENVSETUVLOBNF-UHFFFAOYSA-N 381.432 2.824 0 40 GFAB O=C(CCOc1cccc(Br)c1)N1CCN(c2ccccn2)CC1 32962524 NPPURRPYJWAFDK-UHFFFAOYSA-N 390.281 2.962 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@H]2COc3ccccc3O2)N2CCCC2)cc1 33023389 BPOZJBGPSLROCQ-WIYYLYMNSA-N 382.460 2.788 0 40 GFAB Cn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc2occc21 35315788 BQCNDGHRADOJGQ-KXBFYZLASA-N 382.416 2.965 0 40 GFAB O=C([C@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1)N1CCCCC1 36395453 YENXXCOAUWBEGB-HXUWFJFHSA-N 380.444 2.872 0 40 GFAB CCn1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccncc3)c2n1 36621468 ZSFWEZKNTSTFNT-UHFFFAOYSA-N 379.342 2.661 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NCCCOc1cccc2cccnc12 38680929 DAMUOAISKHNAAF-UHFFFAOYSA-N 377.400 2.728 0 40 GFAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 44115421 NTMZJTUATDYBIB-MJGOQNOKSA-N 381.432 2.929 0 40 GFAB COc1ccc([C@H](C)NC(=O)NCCc2nnc3n2CCCCC3)cc1OC 45383468 GGEQFWFREMWIMG-AWEZNQCLSA-N 387.484 2.625 0 40 GFAB CCCOc1ccc(CNC(=O)c2cnn(-c3ccc(OC)nn3)c2CC)cc1 46178889 CGPCSCDEUNBUFX-UHFFFAOYSA-N 395.463 2.952 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CNC(=O)c1ccc2c(c1)OCO2 47275396 VEEFEHBWSLEEFL-HNNXBMFYSA-N 384.432 2.876 0 40 GFAB O=C(Cn1cnc2c(c1=O)CN(Cc1ccccc1)CC2)Nc1cccc(F)c1 49400741 UXCIYDRUAHUWIV-UHFFFAOYSA-N 392.434 2.579 0 40 GFAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 50475219 VXQDQWANJXEYLA-INIZCTEOSA-N 391.537 2.568 0 40 GFAB CCN(CC(=O)N(C)C)C(=O)Cn1c(C)c(Br)c2ccccc21 54776939 AGKLYTCYOIBCDZ-UHFFFAOYSA-N 380.286 2.649 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 55526673 SCTXLTJPQICFJH-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCCC3)c2=O)cc1C 57486113 LISLSAYVPHYQLR-UHFFFAOYSA-N 397.500 2.512 0 40 GFAB CCc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(CCc4ccccc4)c3n2)cc1 57731647 QEDVKMSNWNYVEY-UHFFFAOYSA-N 387.443 2.691 0 40 GFAB O=S(=O)(CCCc1nnnn1-c1ccccc1)Cc1ccc(Cl)cc1 58016140 WENDQUJZGUKBGJ-UHFFFAOYSA-N 376.869 2.863 0 40 GFAB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@H]1CCCN(c2ncccn2)C1 58023244 NCGJKHTZKKOOGS-SFHVURJKSA-N 397.498 2.613 0 40 GFAB CCCCCCNC(=O)[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NC2CCCC2)C1 58166176 KKDLEAUSLUPKIY-IRXDYDNUSA-N 394.560 2.552 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@](O)(c1ccccc1)C1CC1 70968180 NZDQFCBLYDHSKX-SFHVURJKSA-N 381.881 2.925 0 40 GFAB COc1cccc2cc(-c3ccc(OCC(=O)N=c4[nH]cc[nH]4)cc3)c(=O)oc12 72324964 LTODWWORMPTXMD-UHFFFAOYSA-N 391.383 2.631 0 40 GFAB biogenic Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)CN3CCOCC3)n2)cc1 72358026 UDDOKSUWKFEUDF-QFIPXVFZSA-N 379.504 2.977 0 40 GFAB CCOc1ccccc1NC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 77148911 YOXXJKHFULXXQG-UHFFFAOYSA-N 385.468 2.727 0 40 GFAB CC(C)C[C@@H](CNC(=O)NCc1nnc2n1CCC2)N[C@@H](C)c1ccccc1 78974048 FBIFOPNODQQNCO-WMZOPIPTSA-N 384.528 2.789 0 40 GFAB CCOC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O 85224438 UNODBEGRDZATSD-QGZVFWFLSA-N 387.457 2.956 0 40 GFAB Cn1cc(CN2CCCN(C(=O)c3ccsc3)CC2)c(-c2ccncc2)n1 92149309 NWCVWVYKJPVORE-UHFFFAOYSA-N 381.505 2.892 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCCN(c3ccccn3)CC2)cc1 95940568 DTPWLTYXRTXEGS-UHFFFAOYSA-N 394.519 2.848 0 40 GFAB COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)Cc3ccon3)c2C)c1 95998522 LXCPPYASJRTXMP-LJQANCHMSA-N 396.447 2.628 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1Cl 96096513 VOHHHPUAWBZFQG-KRWDZBQOSA-N 394.880 2.852 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(C)c3C)C2=O)cc1 100033243 BUARZOXKKCIUSY-MOPGFXCFSA-N 391.431 2.544 0 40 GFAB CCOC(=O)Cn1/c(=N/C(=O)c2ccn(CC)n2)sc2c(C)cc(C)cc21 101344564 VTUWNVPMWZMEDX-VXPUYCOJSA-N 386.477 2.840 0 40 GFAB COc1cccc(C2=NO[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]23)c1OC 102897314 CXZZROQEYUOPBU-VQIMIIECSA-N 380.400 2.613 0 40 GFAB O=[S@@](O)[C@@H]1CC[C@@H](SCC2=C(Br)N3C=CS[C@@H]3N2)C1 106855728 NISKMMUDNZQNJR-SOCHQFKDSA-N 383.358 2.833 0 40 GFAB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O 113965947 AIZPCXMNBDFGAC-UHFFFAOYSA-N 395.912 2.906 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(CO)C(=O)O)cc1 218430444 UWFYGLGCIPEKSP-XYJFISCASA-N 380.849 2.651 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1Cl 224413113 FOHFQICBUHBBFO-UHFFFAOYSA-N 386.832 2.659 0 40 GFAB CCC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 224892622 MHWGQUXNXIFSNP-UHFFFAOYSA-N 388.902 2.911 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225791485 WDAAGOVPDYTJOV-INIZCTEOSA-N 390.505 2.955 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc2c1CCCC2 245227880 XIPKVCHJJFMJEA-NQDKFLQJSA-N 376.456 2.557 0 40 GFAB Cc1ncc(C(=O)N2CC[C@@H](Cc3cnc(-c4c(C)noc4C)cn3)C2)cn1 257203782 ARPRSNXCCSBVDN-HNNXBMFYSA-N 378.436 2.552 0 40 GFAB COc1cc2c(cc1CN1CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 257231725 GHYKYRUFJOMNJK-KRWDZBQOSA-N 382.508 2.988 0 40 GFAB CC(=O)N[C@@]12CCN(C(=O)C3CCCC3)C[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257281812 ORCIZYAMWGFFMR-MQSCRBSSSA-N 397.519 2.503 0 40 GFAB CCN(CC)C(=O)c1c[nH]nc1C1CCN(C(=O)C[C@H]2CCCCO2)CC1 257316588 VGERMJCUFACQJU-MRXNPFEDSA-N 376.501 2.557 0 40 GFAB CN(C)C(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccccn3)C(=O)C[C@@H]12 306136854 QFBNFVGXDHALOY-OFNKIYASSA-N 392.503 2.898 0 40 GFAB Cn1cc2c(n1)N(C(=O)c1ccsc1)CC[C@@H]2NC(=O)COc1ccccc1 306142598 XEEPWTGMHFAVQM-KRWDZBQOSA-N 396.472 2.768 0 40 GFAB COc1ccc(Br)c2c1C(=O)[C@@H]([C@@]1(O)C(=O)Nc3ccccc31)C2 408569751 XOJWSJQCNKXJLZ-BBATYDOGSA-N 388.217 2.653 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C2 618257029 PKCVQSXKDWRCFK-CYBMUJFWSA-N 395.290 2.902 0 40 GFAB CN(c1nnc(-c2cnsn2)n1C[C@@H]1CCOC1)[C@@H]1CCc2ccccc21 1120424449 ZZTQHRBQKUIEHP-SUMWQHHRSA-N 382.493 2.957 0 40 GFAB CCc1nc2c(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)ccnc2[nH]1 1151552714 WTFSFQAFJDIFHE-UHFFFAOYSA-N 393.447 2.615 0 40 GFAB Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)CC2(O)CCC2)CCC3(F)F)cs1 1614938031 VHZYUIVCEXUIJX-QGZVFWFLSA-N 399.507 2.816 0 40 GFAB O=C(c1onc2c1CCCC2)N1CC[C@@H](Nc2ncnc3ccc(F)cc23)C1 1615613126 QJFWKUBWLGKLKK-CYBMUJFWSA-N 381.411 2.962 0 40 GFAB O=C(Cc1ccn(CC(F)(F)F)n1)Nc1cnc(-c2cccc(O)c2)nc1 1650772813 NHYUPFDQGLLNKT-UHFFFAOYSA-N 377.326 2.789 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4cccnc4)CC3)c2F)cc1 1775974749 OCEAYSNTADCCNE-UHFFFAOYSA-N 393.422 2.649 0 40 GFAB Cc1cn2nc(OCC3CCN(Cc4nnc(C(F)(F)F)o4)CC3)ccc2n1 1888879331 RHPWLLZBXAYGGA-UHFFFAOYSA-N 396.373 2.731 0 40 GFAB Cn1ccc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)n1 2037844240 QENUILWQBMHNJG-AZUAARDMSA-N 382.508 2.532 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CCN(Cc3ccccc3F)CC2)n1 47096479 WJHJTYPDHIZKQD-INIZCTEOSA-N 387.503 2.803 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(N2CCCC2=O)c(Cl)c1 22284289 ACRVZGGUOWKLIQ-UHFFFAOYSA-N 396.834 2.815 0 40 GFAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1ccc(F)cc1 79502083 CUDZPPPCKJKZQB-UHFFFAOYSA-N 388.439 2.850 0 40 GFAB Cc1c(C)c2cc(Cl)c(OCC(=O)N3CCc4nc[nH]c4C3)cc2oc1=O 12322342 YEUIWEXKBOOKCL-UHFFFAOYSA-N 387.823 2.750 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)c1 4444396 HYODCLYFLXYQQO-UHFFFAOYSA-N 385.416 2.753 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 940333 IIYSHQJDIJQHLK-JKSUJKDBSA-N 382.482 2.547 0 40 GFAB CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 10294517 CKWQEUNMTLBXHX-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)N1CCCCC1 102091492 ZMTXTZVBIWXYBD-YRYYUTHUSA-N 376.456 2.870 0 40 GFAB CCOCCCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24608008 SAJKBEAVWXCWHH-UHFFFAOYSA-N 392.452 2.544 0 40 GFAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)NCCC2=CCCCC2)nc1N 12557934 SHPHKCBPLOZWRJ-LBPRGKRZSA-N 378.498 2.723 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 25104427 CJDVUTNHAPBMCF-XIKOKIGWSA-N 389.835 2.900 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107450035 JSWQGNRIQXFUOC-OPKWSNEBSA-N 376.522 2.826 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)NCc2ccccc2-n2ccnc2)cc1 56894753 JGJXVQOCJMXBEJ-UHFFFAOYSA-N 377.448 2.574 0 40 GFAB Cc1nc2ccc(N3CCOCC3)cc2c(O)c1CN(C)C1CCN(C)CC1 1788887 UMZKXUXCPWIZBL-UHFFFAOYSA-N 384.524 2.611 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2)sc2c1CCCC2 3284069 JCRWHAZCZNWDDD-UHFFFAOYSA-N 376.409 2.660 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OC2CCCC2)n(C)c1 58209543 CCAWEWFJVMGYLW-UHFFFAOYSA-N 377.466 2.507 0 40 GFAB CCc1nc(SCC(=O)N2CCNC2=O)nc(N)c1-c1ccc(Cl)cc1 12753941 KKJDNSADILORFZ-UHFFFAOYSA-N 391.884 2.586 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 3340451 FGNQTTPYYWNOAG-UHFFFAOYSA-N 378.432 2.517 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)c1 2385796 HEHUUZXQTTVXNB-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB CC(C)(C)[C@@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 48301386 RMYMVSOADGRGPP-SFHVURJKSA-N 375.494 2.650 0 40 GFAB O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1OC(F)F 29176121 ATRYVMAROXWFAL-UHFFFAOYSA-N 375.331 2.592 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1O 62482687 SJLZGCSFSQCRQD-IYNGYCSASA-N 387.354 2.758 0 40 GFAB Cc1n[nH]c(S[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)n1 11707277 BSYRLMJBKHEZEK-ZETCQYMHSA-N 385.371 2.598 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c(F)cc1F 12863990 DPTIUXSVLIULRS-JTQLQIEISA-N 392.333 2.882 0 40 GFAB CCOCCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 409134847 PQPLOEYMADUMRU-UHFFFAOYSA-N 390.505 2.733 0 40 GFAB O=C(c1ccccc1OS(=O)(=O)c1ccc(F)cc1Cl)N1CCOCC1 12855667 FPUUXUOVESFCJY-UHFFFAOYSA-N 399.827 2.719 0 40 GFAB Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1S(=O)(=O)N(C)C 12810592 PDAIBLODKMZVJT-MRXNPFEDSA-N 394.880 2.841 0 40 GFAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12934083 ZNIXPKIWAKSXEY-UHFFFAOYSA-N 390.461 2.684 0 40 GFAB COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 8724823 FXKBTIGYBMTSLQ-UHFFFAOYSA-N 386.473 2.683 0 40 GFAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@H](C)O[C@H](C)C1)C2=O 39544506 CXHJGYJHZWYTQK-MEWABEDBSA-N 393.528 2.539 0 40 GFAB Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2Cl)N2CCOCC2)o1 14020607 DVBWNQIGOWWODM-INIZCTEOSA-N 396.846 2.949 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1nc(-c2ccc(Br)o2)no1 4745268 JICLWAZFZDZYBM-UHFFFAOYSA-N 392.165 2.751 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1OC 4852385 LQDRBVHFOORQBG-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2csc3c2CCCC3)cc1 7021239 AYHALUHZZRKHMC-UHFFFAOYSA-N 381.475 2.510 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7130285 QSSOMCPOSIJUGD-VIFPVBQESA-N 380.495 2.861 0 40 GFAB COc1ccccc1CCNC(=O)CSc1nnc(-c2ccoc2C)n1C 7693372 BHZPIUCYSYOFRS-UHFFFAOYSA-N 386.477 2.843 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccc(F)cc2)C1=O)c1ccccc1 9359524 RQLHLXMWSQZTKW-KRWDZBQOSA-N 395.312 2.566 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 7986418 RVTCCEBBROXDRL-QGZVFWFLSA-N 392.546 2.860 0 40 GFAB COc1cccc(CN(C)C(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c1 8092591 KQQPAXBOOVGUJT-UHFFFAOYSA-N 383.492 2.841 0 40 GFAB COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 8183688 VMFVJOSMYWVPKW-UHFFFAOYSA-N 399.432 2.930 0 40 GFAB CC(C)(C)c1ccc(-c2nc3nc(O)cc(NC(=O)[C@H]4CCCO4)n3n2)cc1 17027436 VFTSGFIHHRPBQA-CQSZACIVSA-N 381.436 2.912 0 40 GFAB NC(=O)c1cc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c(F)cc1F 95394130 SMBZUAFLUYRNMJ-GOSISDBHSA-N 389.383 2.631 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C2=O 84207871 XUMGEKJXOYCOIR-AUUYWEPGSA-N 397.450 2.538 0 40 GFAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1 72304274 HJSRNBRXAYQTAE-VQIMIIECSA-N 378.472 2.923 0 40 GFAB Cc1ccc([C@@H](CNC(=O)C[C@@H]2OC(=O)c3ccccc32)N2CCOCC2)cc1 97207928 NJIMJNLTCBVPFT-RTWAWAEBSA-N 394.471 2.786 0 40 GFAB O=C(NC[C@@H](C(=O)O)c1ccccc1)C1CCC(NC(=O)C2CCCC2)CC1 95425564 QJIVUTOXZBQCSK-CTWPCTMYSA-N 386.492 2.836 0 40 GFAB COc1cc(OC)c2cc(CCCNC(=O)[C@@H]3CCn4cncc4C3)[nH]c2c1 95972840 LQENWXWDEORLGI-CQSZACIVSA-N 382.464 2.693 0 40 GFAB CC(C)[C@@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 64219226 ORVHFHUXDLSLMX-HXUWFJFHSA-N 396.443 2.751 0 40 GFAB CCCN1C(=O)N/C(=C/c2ccc(OC)c(I)c2)C1=O 409240265 PGYRMZXKZQHBSN-DHZHZOJOSA-N 386.189 2.603 0 40 GFAB CC[C@H](C)NC(=O)CN1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 36719620 JGHDYMRVBUMKKQ-SFDCQRBFSA-N 387.450 2.895 0 40 GFAB CCOC(=O)Nc1nc(CC(=O)NCc2nc(-c3ccccc3)no2)cs1 36709278 NPBWCKWJNJZRJX-UHFFFAOYSA-N 387.421 2.620 0 40 GFAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cccc(-n2cnnc2)c1 66089208 LMBMADQDFOYHAT-UHFFFAOYSA-N 380.795 2.901 0 40 GFAB COc1ccc(NC(=O)NCCNc2cc(-n3cccn3)ncn2)cc1Cl 35597345 HSKBTHXQPFCHHE-UHFFFAOYSA-N 387.831 2.558 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCO4)CC2)c(C)o1 42382549 NXDFPMFWZKWZCQ-ROUUACIJSA-N 396.443 2.713 0 40 GFAB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224836144 QSBKHXPKKBZZLX-UHFFFAOYSA-N 391.445 2.768 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1OC 40161398 XRTGUNVBBNIQHG-INIZCTEOSA-N 394.493 2.802 0 40 GFAB CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 225941229 WVZWHNOPCKEVFI-FOIQADDNSA-N 386.473 2.941 0 40 GFAB COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)nc2ccccn2c1=O 96117522 MCHWSBWVNUGPIQ-CYBMUJFWSA-N 390.342 2.697 0 40 GFAB O=S(=O)(CCOc1ccccc1F)Nc1ccc(Br)cn1 96191831 QOLXVDARPTYZGF-UHFFFAOYSA-N 375.219 2.804 0 40 GFAB Cn1ccnc1[C@H]1C[C@H](NC(=O)Nc2cnc(-c3ccccc3)nc2)CCO1 584155518 VCHYIIHYEJBAKB-NVXWUHKLSA-N 378.436 2.919 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 253487231 HDJVVYZNPLXMGE-FYQPLNBISA-N 385.423 2.592 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)C1 260508060 PNNXMSDXSFPGLT-DOTOQJQBSA-N 394.537 2.775 0 40 GFAB CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)cc1 260772955 XRKMREHVVSVRTQ-OALUTQOASA-N 390.505 2.895 0 40 GFAB NS(=O)(=O)c1cc2c(s1)CCN(C(=O)CC1C3CC4CC(C3)CC1C4)C2 620731477 JPSJBWZMRTZZSR-UHFFFAOYSA-N 394.562 2.743 0 40 GFAB O=C(c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)N1C[C@H](O)CC(F)(F)C1 648876433 ZJGHOSSURBGPTF-LLVKDONJSA-N 399.800 2.996 0 40 GFAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 1137374411 HUEHXVZOCHZHEW-CYBMUJFWSA-N 386.839 2.574 0 40 GFAB C/C(=C\c1ccccc1)CN1CCOC[C@H]1CC(=O)NCCc1ccncc1 72463511 VOYQQJFZZKCAKD-JIKIWWBOSA-N 379.504 2.935 0 40 GFAB CCc1noc(COC2CN(C(=O)N[C@H]3CCc4ccc(F)c(F)c43)C2)n1 1616031346 NZZHSDZVRIUMSL-ZDUSSCGKSA-N 378.379 2.508 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1 607442578 HXRDQPQRLSVLDM-FXAWDEMLSA-N 386.473 2.616 0 40 GFAB Cc1cc(O[C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)nc(C)n1 575610180 UEMSTRQGEUVOKI-HNNXBMFYSA-N 379.416 2.883 0 40 GFAB O=C(CN1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1)N1CCCCC1 43262917 LRQWZYQPGLTVHY-UHFFFAOYSA-N 382.867 2.641 0 40 GFAB COc1cc(CC(=O)NCc2cc(Br)c[nH]2)cc(OC)c1OC 72306799 AGVGPLRQNZADDQ-UHFFFAOYSA-N 383.242 2.662 0 40 GFAB CC(C)c1nc([C@H]2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)no1 96000518 NZZZIYIFFAXPQL-CQSZACIVSA-N 385.873 2.750 0 40 GFAB Cc1nn(CCC(=O)N2CCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)c(C)c1C 12336993 MHLZJTRVSDJGGJ-GOSISDBHSA-N 396.495 2.927 0 40 GFAB COC(=O)c1ccccc1NC(=O)C[C@H]1CSc2nc(C(C)C)cc(=O)n21 14033917 LAXJOTYQKRYSHD-LBPRGKRZSA-N 387.461 2.829 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1C 16692231 REPFJLSQUBESES-UHFFFAOYSA-N 390.505 2.639 0 40 GFAB COc1cccc(CC(=O)N2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c1 19020391 GQTMQOGARFLDRQ-JOCHJYFZSA-N 381.476 2.749 0 40 GFAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CN1CCOCC1 19202200 OMYQMXMKXLQASD-UKTHLTGXSA-N 383.267 2.775 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19293703 ZMWGEMBQARPFMX-CWRNSKLLSA-N 393.413 2.889 0 40 GFAB O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nnc(-c2ccccn2)o1 19403338 NGBJSWWCJILPBG-OAHLLOKOSA-N 394.387 2.603 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(N4CCCC4)c(F)c2)[C@@H]3C1=O 19447744 ZILOSTZZASHIHE-JPAWQOSXSA-N 399.466 2.555 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CCN3CCCC3)CC2=O)cc1 19556339 TVKNLRTVRVWBOP-RTBURBONSA-N 399.535 2.915 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)n1 19572825 OHJCCJNDANRXCJ-ZWKOTPCHSA-N 396.539 2.635 0 40 GFAB Cn1cnc2cc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)ccc21 19665900 JVEIPQHJCSOQMR-UHFFFAOYSA-N 384.461 2.538 0 40 GFAB Cc1nc(C)n(C[C@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n1 12121866 BKYYNXGBAZVAAC-HNNXBMFYSA-N 384.480 2.501 0 40 GFAB COc1ccccc1OCC(=O)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668779 ZMGFBDTXOAPDCV-UHFFFAOYSA-N 394.431 2.925 0 40 GFAB COc1ccc(NC(C)=O)cc1Nc1ncnc2c1ncn2C[C@H]1CCCO1 1888918060 LAFOASIDHSTCHO-CQSZACIVSA-N 382.424 2.716 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(N(c2ccncn2)C2CC2)CC1 1775975413 GWXNBWMAHUSHNT-UHFFFAOYSA-N 392.912 2.952 0 40 GFAB O=c1[nH]c2cc(S(=O)(=O)N3CCS[C@H](c4ccccc4)CC3)ccc2o1 208045204 YDQIROJHTCBWFY-KRWDZBQOSA-N 390.486 2.990 0 40 GFAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCc1ccc2c(c1)OCO2 35592723 DLEZOBVNMFUUGY-UHFFFAOYSA-N 380.356 2.658 0 40 GFAB O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1nc2ccccc2s1 49389072 NQWCNMJBNAQJKI-UHFFFAOYSA-N 396.428 2.906 0 40 GFAB O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(Br)o1 11899878 RPBTYGUIIJLHNI-UHFFFAOYSA-N 378.270 2.594 0 40 GFAB COc1cc(NC(=O)N2CCN(c3ncccn3)CC2)c(OC)cc1Cl 40103667 DDHBHERIBVOISI-UHFFFAOYSA-N 377.832 2.501 0 40 GFAB C[C@H](NC(=O)c1ccc(Cn2nnc3ccccc32)cc1)C(=O)N1CCCCC1 40150242 DGKXSMTWHANTRK-INIZCTEOSA-N 391.475 2.610 0 40 GFAB CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1cccc(N2CCOC2=O)c1 40120404 JGLHKULDYSCPNS-UHFFFAOYSA-N 388.468 2.898 0 40 GFAB COC(=O)c1cc(NC(=O)CCNC(=O)c2ccccc2OC)c(F)cc1F 31027319 HVEQMLBQUBDQCX-UHFFFAOYSA-N 392.358 2.519 0 40 GFAB CCCN1CCN([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441777 IQXJVRJAURXOOR-RTBURBONSA-N 399.988 2.957 0 40 GFAB CCOc1cc(C(=O)Oc2ccc(-n3cnnn3)cc2)ccc1OC(F)F 21333247 BWOPCSUOLAXYHF-UHFFFAOYSA-N 376.319 2.882 0 40 GFAB CCOc1ccc(N2C(=O)C[C@@H](Nc3cc(NC(C)=O)ccc3OC)C2=O)cc1 102286077 KPDAPVVOJQEFOF-GOSISDBHSA-N 397.431 2.796 0 40 GFAB CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 915204 HUDGGRLXPMQYLD-JOCHJYFZSA-N 381.428 2.619 0 40 GFAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 920698 RZNIZYBQXXLNPY-UHFFFAOYSA-N 393.553 2.968 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 3015940 NKAIDQPIDFSIDP-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(N(C)C)cc2)n1 3400730 HERZMIXTFNKVFA-UHFFFAOYSA-N 378.436 2.929 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4183797 ONSSMENOOLOIFH-JJRVBVJISA-N 382.313 2.930 0 40 GFAB CCc1ccccc1N1C(=O)N(c2ccc(OC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 4387462 APAAZXCOACJHRQ-MOPGFXCFSA-N 386.473 2.870 0 40 GFAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)c1 4585669 IQOVQJFOKHVTAY-BQYQJAHWSA-N 375.431 2.854 0 40 GFAB COc1ccc(-c2noc(CNC(=O)COc3cccc(C)c3)n2)cc1OC 4943623 MFBXFKSZFOQCDB-UHFFFAOYSA-N 383.404 2.757 0 40 GFAB CC(C)Cn1c(O)c(C(=O)Nc2ccccc2C(N)=O)c(=O)c2ccccc21 5462198 WIVSQQNBKMLASF-UHFFFAOYSA-N 379.416 2.714 0 40 GFAB biogenic CCOC(=O)c1oc2ccccc2c1CN1C(=O)C(=O)N(C2CCCC2)C1=O 6085393 XKBYZRBQYUPGHD-UHFFFAOYSA-N 384.388 2.843 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1 6110125 YFNFGTIYCVTWSV-UHFFFAOYSA-N 384.432 2.532 0 40 GFAB CCCn1nnc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)n1 6593874 GARXMRBYVVCUPM-UHFFFAOYSA-N 389.268 2.525 0 40 GFAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 6842920 RDNHHDDXNHDUEO-HXUWFJFHSA-N 378.436 2.594 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2cc(C3CC3)nn2-c2ccccc2)C[C@H](C)O1 7233478 IIWFWSPVYPMXPB-GJZGRUSLSA-N 383.448 2.542 0 40 GFAB CCN1C[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)Oc2ccccc21 7726400 YHVQONRAFSOXKV-MRXNPFEDSA-N 376.478 2.603 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1nc(C)cs1 7783154 LQZUJBZWDFRCFE-UHFFFAOYSA-N 376.467 2.557 0 40 GFAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1sccc1C(N)=O 7813497 KUBPJJBFSIHJCG-AWEZNQCLSA-N 391.518 2.646 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(CN2CCCC2=O)c1 8188593 XJIBUHGMZRDBEI-UHFFFAOYSA-N 379.460 2.898 0 40 GFAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2F)n2nnnc2N3)cc1 10232593 IXSBBCXBVKQTMB-QGZVFWFLSA-N 375.367 2.978 0 40 GFAB CS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 10386660 IWRWYISJCWYCMF-UHFFFAOYSA-N 393.509 2.748 0 40 GFAB COc1ccc(-n2nnnc2SCCCc2nc(-c3cccnc3)no2)cc1 11004567 SRMUTZPGEYFWFE-UHFFFAOYSA-N 395.448 2.841 0 40 GFAB CC1CCN(c2nnc(S[C@H](C)C(=O)NC(C)C)n2C[C@H]2CCCO2)CC1 11747543 JNGZYJWRRSQDDK-HZPDHXFCSA-N 395.573 2.699 0 40 GFAB Cc1noc(C)c1C(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086426 JRTYMYVXRHOLOL-HRAATJIYSA-N 383.448 2.926 0 40 GFAB COc1cc(-c2cnc(N3C[C@H](C)O[C@H](C)C3)nc2-c2ccco2)nc(OC)n1 12240451 MUEBETYJRRZKIW-BETUJISGSA-N 397.435 2.824 0 40 GFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1 12374132 SFBYIAVEKBQHPU-UHFFFAOYSA-N 399.454 2.804 0 40 GFAB COc1cc(Br)c(CCNC(=O)c2cnc(C)cn2)cc1OC 12744944 IIXOTOCODHRRGW-UHFFFAOYSA-N 380.242 2.537 0 40 GFAB Cn1ccnc1-c1nc2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O 12754244 RXLBTFYREQKMAR-UHFFFAOYSA-N 391.475 2.804 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)NC)cc1)O[C@@H](C)C2 12924747 GCKKGCXVJLXEBX-LBPRGKRZSA-N 390.461 2.569 0 40 GFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCCOC1CCCCC1 12943479 YASKMBZFEDYRBZ-UHFFFAOYSA-N 383.448 2.998 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1cnn(-c2ccccc2)c1 13022261 PKTMZUQLJALLPA-UHFFFAOYSA-N 394.450 2.719 0 40 GFAB COc1ccc(-c2nc(O)cc(C3CCN(Cc4cnn(C)c4)CC3)n2)cc1 13265474 GYRSPPARSNPGIC-UHFFFAOYSA-N 379.464 2.971 0 40 GFAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCCc1cccs1 14001266 NJAZXSIYJJGHJJ-UHFFFAOYSA-N 384.436 2.827 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c(C)c1 14245272 MKGFGYLVLCKTIM-MRXNPFEDSA-N 377.466 2.700 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1OC 16188370 DUTJGFWOLYVCFK-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1 16974580 HDMMINSSJWIXCD-UHFFFAOYSA-N 386.879 2.821 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 17903011 GVHANWYKYYBKTG-HNNXBMFYSA-N 395.459 2.508 0 40 GFAB Cc1ccc(OC(C)(C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19210756 CIKBVYCSOVBUEU-QGZVFWFLSA-N 394.519 2.994 0 40 GFAB COCC(=O)N1CCC[C@@](Cc2cc(-c3ccc(C)cc3)no2)(C(=O)N(C)C)C1 19212252 SJWTXADVXPFFMX-QFIPXVFZSA-N 399.491 2.536 0 40 GFAB Cc1ccc(-c2nnc([C@@H]3CCCN3S(=O)(=O)c3cnn(C)c3C)o2)s1 19217808 OVLNNQHHKQTQBK-LBPRGKRZSA-N 393.494 2.674 0 40 GFAB CCOc1ncc(C2(O)CCN(Cc3ccc(CC)o3)CC2)c(OCC)n1 19522918 YLAOFEBAAMLNHB-UHFFFAOYSA-N 375.469 2.913 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529720 MOQSAHOVJOVCIP-QPXQOZNCSA-N 392.455 2.767 0 40 GFAB Cc1cc(C)n(CCC(=O)N[C@H](Cc2ccsc2)c2cccnc2)c(=O)n1 19572496 HRJQSPZFQMXJRF-GOSISDBHSA-N 382.489 2.807 0 40 GFAB CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704608 IYZYUKDNORYUJY-AWEZNQCLSA-N 396.488 2.504 0 40 GFAB Cc1cc(S(=O)(=O)NCCSCc2ccco2)ccc1N1CCCC1=O 20037013 XRFLLQCSKKFQSF-UHFFFAOYSA-N 394.518 2.927 0 40 GFAB CCOc1ccccc1NC(=O)Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O 20488848 LTRZJUAPUYHFFY-UHFFFAOYSA-N 399.834 2.690 0 40 GFAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(COCC(F)(F)F)cc1 22192532 BLJFXBCINGPNGK-UHFFFAOYSA-N 378.310 2.960 0 40 GFAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)N1CCc2ccccc2C1 22773772 ZKZYURKTPUONSQ-RMKNXTFCSA-N 375.516 2.902 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2cc(C)ccc2C)cc1 22841076 PEJBZOADBQHQHA-FQEVSTJZSA-N 388.533 2.964 0 40 GFAB Cc1cccc2sc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)c(Cl)c12 24973401 SLZNVZLOYPMKSD-UHFFFAOYSA-N 377.853 2.677 0 40 GFAB O=C(c1ccco1)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 25266268 PTWDQSXVFDLLFS-UHFFFAOYSA-N 378.428 2.833 0 40 GFAB O=C(Nc1nncs1)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 27792832 UZUTYLYFRQXKBG-OAHLLOKOSA-N 382.401 2.569 0 40 GFAB CCCS(=O)(=O)NC1CCN(CC(=O)Nc2c(CC)cccc2CC)CC1 30131420 SOKNACLYPHVRMA-UHFFFAOYSA-N 395.569 2.544 0 40 GFAB Cc1c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 30567340 ZBXBIXZVEQTTOX-GJZGRUSLSA-N 388.487 2.937 0 40 GFAB CCn1cc([C@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)c(C)n1 36621273 CSDFQPAJZKHUGI-CQSZACIVSA-N 397.460 2.705 0 40 GFAB CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 39985480 HDUMBWGNWAWEGG-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)o1 40018261 AFXZKKRJLMPAJO-GFMPNFHCSA-N 399.535 2.963 0 40 GFAB CCc1nn2c(ncc3c(=O)n(CCN(C)C)ccc32)c1-c1ccc(F)cc1 40396722 JEZJOGTZYWPUGH-UHFFFAOYSA-N 379.439 2.974 0 40 GFAB O=C(NCC1CCN(c2ncccn2)CC1)c1cccc(Br)c1 43977405 ZGKOCFBWPZWVDW-UHFFFAOYSA-N 375.270 2.886 0 40 GFAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 44115430 NTMZJTUATDYBIB-PKOBYXMFSA-N 381.432 2.929 0 40 GFAB O=C1c2cc(NS(=O)(=O)c3cccnc3)ccc2OCC[C@@H]2CCCCN12 49030399 HHOCUKQIEGKDFR-HNNXBMFYSA-N 387.461 2.660 0 40 GFAB CCOC(=O)c1sc2ncn(C[C@@H](O)c3cccc(F)c3)c(=O)c2c1C 51265578 DEOUOWZJJVJMHL-CYBMUJFWSA-N 376.409 2.816 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H](c2nnc3ccccn23)C1 55083933 LODDJMOCEMEXIE-AWEZNQCLSA-N 379.420 2.912 0 40 GFAB CCc1nnc(NC(=O)[C@H]2CSCN2C(=O)c2c[nH]c3ccccc23)s1 58162743 BXDZMTFBICDIQE-CYBMUJFWSA-N 387.490 2.736 0 40 GFAB CCOC1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 58201706 DFEHBOGVZJIFDY-IRXDYDNUSA-N 375.513 2.740 0 40 GFAB O=C(c1ccc2ccccc2n1)N1CCN(c2cc(-c3cccnc3)n[nH]2)CC1 62007418 OJQZYHUELFIWEW-UHFFFAOYSA-N 384.443 2.982 0 40 GFAB COCCn1cc(C(=O)Nc2nnc(CC(C)C)s2)c2ccccc2c1=O 71286408 WLUFPTYDKQNDJV-UHFFFAOYSA-N 386.477 2.950 0 40 GFAB C[C@H]1CCC[C@H](C)C12NC(=O)N(CCCS(=O)(=O)c1ccccc1)C2=O 71819405 RLVQVPDRFIKRMW-GJZGRUSLSA-N 378.494 2.597 0 40 GFAB CC(=O)OCc1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)o1 72327148 LSGOEXCHHGAJIK-UHFFFAOYSA-N 394.475 2.823 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2cc(F)ccc2Cl)c1OC 72330150 LDFSIPXOIYOKIC-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 72345473 MCKFFKRWSFBKLP-IBGZPJMESA-N 396.491 2.792 0 40 GFAB COc1cc(CN2[C@H]3CC[C@@H]2Cc2nc(C)nc(O)c2C3)cc(OC)c1OC 72372991 XYYPXKBNHJFUIC-LSDHHAIUSA-N 385.464 2.648 0 40 GFAB COc1ccc(-n2nnc(C(=O)Nc3ccc(Br)cc3F)n2)cc1 77100312 DKSLVHJPARSLIA-UHFFFAOYSA-N 392.188 2.825 0 40 GFAB COc1ccc(NC(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)c(C)c1 77101382 RLVJXUYMUGDYMA-UHFFFAOYSA-N 392.463 2.938 0 40 GFAB Cc1cccc2sc(NC(=O)c3coc(NC(=O)c4cnccn4)n3)nc12 77196588 SZIHKAVXCSEJHP-UHFFFAOYSA-N 380.389 2.887 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)c2nn(-c3cccc(C)c3C)cc2O)cc1 95409470 NDVNBJHOUNCLDB-SFHVURJKSA-N 381.432 2.667 0 40 GFAB CS(=O)(=O)c1cc(NC(=O)c2ccccc2OCC2CC2)cc(C(=O)O)c1 95425589 KLCAISGPCIRIKI-UHFFFAOYSA-N 389.429 2.829 0 40 GFAB Cc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 96182413 GMCSBRPFHAIXSM-IRLDBZIGSA-N 377.488 2.863 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccccc1F)C2 96237915 JOGUUSVVZCYXSW-OAQYLSRUSA-N 385.414 2.528 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4cnn(CC)c4C)C3)cc2n1 100138122 IQXOJELCXVJWOZ-AWEZNQCLSA-N 382.468 2.542 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 101021613 UZTJJCITPDODGP-LJITYGPFSA-N 391.254 2.985 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 108682024 BBQPRWHHCWLAOR-HXUWFJFHSA-N 393.487 2.557 0 40 GFAB Cc1cccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 113965627 OHMNRRGVCZMMEQ-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218468745 CNYKRINOIQDUIT-BQFCYCMXSA-N 380.849 2.997 0 40 GFAB C[C@@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222923165 ZOYJSNYETKODMU-AWEZNQCLSA-N 392.858 2.547 0 40 GFAB COc1ccc(CCC(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1 225780717 BGTVRSRUUUJVPJ-UHFFFAOYSA-N 397.862 2.874 0 40 GFAB O=C(/C=C/c1cccs1)NCCN1Cc2cc(Cl)ccc2OCC1=O 253473968 AHKMQOUEZJXXQA-GQCTYLIASA-N 376.865 2.952 0 40 GFAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCN(Cc3ccccc3)CC2)n1 256049291 ZFWWULHSVCFSFX-UHFFFAOYSA-N 391.475 2.850 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3nccn3C)CC2)ncn1 257208166 BLAHAZZCFFAZPW-UHFFFAOYSA-N 380.452 2.577 0 40 GFAB CO[C@H]1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCO2 257255204 KGNMRQCPCINESF-YJBOKZPZSA-N 379.457 2.644 0 40 GFAB CN([C@H](C(=O)NCCCc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O 260796133 WJDAFRISYYHCKA-SFHVURJKSA-N 378.469 2.507 0 40 GFAB CN1CCN(Cc2cnn(C)c2)C[C@H]1c1cn2c(-c3ccncc3)cccc2n1 306136205 PMPZXIRADOXDEA-NRFANRHFSA-N 387.491 2.619 0 40 GFAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1cn(-c2ccncc2)nn1 390831480 SCFRAZUAQNZDQA-UHFFFAOYSA-N 375.354 2.930 0 40 GFAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1O 408818240 ZTSKPLUMZSYTAE-UITAMQMPSA-N 391.186 2.672 0 40 GFAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)sc2c1CCCC2 409299029 QMMVPESRTYTPGS-SGZGXEQCSA-N 387.457 2.637 0 40 GFAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc(C4CC4)on2)C3)n1 575404073 MCEGXYAOLMIYOR-KRWDZBQOSA-N 383.448 2.846 0 40 GFAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Br)C2)n1 575615888 IUOQXYWXZUZJHC-GFCCVEGCSA-N 384.299 2.751 0 40 GFAB CN1C(=O)C[C@@H](CNCc2ccn(C)c2)[C@@H]1c1cnn(Cc2ccccc2)c1 576613238 FLOBQFRRKMYSNN-SIKLNZKXSA-N 377.492 2.579 0 40 GFAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@]34CCC[C@@H]3C4)CC2)cc1 585098134 LZVJTIAHFBVMBC-QRWLVFNGSA-N 391.537 2.691 0 40 GFAB C[C@H]1CCCN(C[C@@H]2CC3(CCN(S(=O)(=O)c4ccccc4)CC3)CO2)C1 585103104 DAUUMTSXCGXEHK-OALUTQOASA-N 392.565 2.978 0 40 GFAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)CS(=O)(=O)C1CCCC1 618979753 BGTZPGSNMKTPRF-ACJLOTCBSA-N 385.913 2.986 0 40 GFAB CN(c1nnc(-c2cnsn2)n1C[C@H]1CCOC1)[C@H]1CCc2ccccc21 1120424447 ZZTQHRBQKUIEHP-DYVFJYSZSA-N 382.493 2.957 0 40 GFAB COc1ccc(NC(=O)N2CCC(Oc3ncc(F)cn3)CC2)c(OC)c1 1188540754 PSKQKFAWQDYQBE-UHFFFAOYSA-N 376.388 2.708 0 40 GFAB Fc1ccc2nc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)oc2c1 1888890537 FELWJKADGDAUQD-UHFFFAOYSA-N 383.427 2.978 0 40 GFAB O=S(=O)(c1cccnc1)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888916645 AOQAKOJVXIPBKJ-INIZCTEOSA-N 396.472 2.628 0 40 GFAB CC(C)c1nc(S(=O)(=O)NCCc2ccc(-c3cnn(C)c3)s2)cn1C 1889214606 AGKQPISSFZDCRA-UHFFFAOYSA-N 393.538 2.527 0 40 GFAB Cc1ccnn1CCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912624 QYSMNZHMGVMOSJ-FQEVSTJZSA-N 375.444 2.543 0 40 GFAB CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(N)=O)c1C 2736561 ZTCGEGUNAZYDAO-UHFFFAOYSA-N 376.434 2.522 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)c1 2917422 BBQSNNFHBVCSTD-UHFFFAOYSA-N 392.415 2.764 0 40 GFAB COc1ccc(C(=O)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 4230956 PIOQPUVIICKSLZ-UHFFFAOYSA-N 380.444 2.870 0 40 GFAB O=C(CN1CCN(Cc2ccsc2)CC1)NCCc1c[nH]c2ccccc12 22790326 DDIOCPBAYSQBFY-UHFFFAOYSA-N 382.533 2.706 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 8097692 KXTCYSNSBOJKOQ-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)NCCc3cc(F)cc4c3OCOC4)ccc21 47797657 PEODAIDVZRGCKY-UHFFFAOYSA-N 399.422 2.965 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 24139871 KQBFUWGQYQCGHT-LJQANCHMSA-N 383.492 2.786 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NCCc1cccc(Cl)c1 12523099 TYLAKDIVVXVGJU-UHFFFAOYSA-N 380.897 2.823 0 40 GFAB Cc1sc2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)nc(N)c2c1C 12514413 KMGVZSLERNXRSD-UHFFFAOYSA-N 380.477 2.759 0 40 GFAB Cc1ccccc1C1(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)CCOCC1 55761103 IRBXSURQIPQKOR-LJQANCHMSA-N 394.519 2.866 0 40 GFAB Cc1cc2occ(CC(=O)N3CCCN(S(C)(=O)=O)CC3)c2cc1C(C)C 26208682 ZGNSLZUYSSFPGP-UHFFFAOYSA-N 392.521 2.901 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1)NC1CC1 35326389 ODFJOVGUGDLVOO-UHFFFAOYSA-N 387.480 2.591 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 3296513 HIVYWVMVAMPKFN-AWEZNQCLSA-N 388.445 2.543 0 40 GFAB COc1ccc2nc(NC(=O)CCCc3nnc4ccc(OC)nn34)sc2c1 72401364 ZHSSZVOXNBAURE-UHFFFAOYSA-N 398.448 2.713 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42CC[C@@]1(OC)[C@@H](C(C)(C)O)C2 103843841 MKWFKXIKUBABHP-FHCZGLRWSA-N 399.531 2.910 0 40 GFAB COc1ccc(C2=C[C@H](c3ccco3)n3nc(CCCO)nc3N2)cc1OC 100892639 BVVCHRZLBJOGGC-OAHLLOKOSA-N 382.420 2.869 0 40 GFAB O=C(Nc1cccc(CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1)C1CC1 36398446 BRFOLVLZHQNCTI-IBGZPJMESA-N 381.407 2.984 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 12864482 JRODWOVQITUEJD-MZBDJJRSSA-N 387.432 2.659 0 40 GFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 45644746 ORVMXSHSBFLIKK-YJYMSZOUSA-N 377.400 2.818 0 40 GFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cc(Br)cc3c1OCOC3)CC(=O)O2 95480416 NROTWGYFIDKYSF-NSHDSACASA-N 392.205 2.753 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cnn(-c3ccccc3)c2C)c1C 12888156 VJXBTAWMYXYQMT-UHFFFAOYSA-N 384.461 2.697 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 29604581 APDQCQCRXFARJY-UHFFFAOYSA-N 394.456 2.620 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(CCc3ccccc3)C[C@@H]1C2 306138053 RNUSJYDWUFQHLY-OALUTQOASA-N 387.487 2.877 0 40 GFAB COCCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccncc1 13452111 LMGRJOUEKVJDKY-GASCZTMLSA-N 389.525 2.868 0 40 GFAB Cc1c(-n2nnnc2SCc2cccc(F)c2)c(=O)n(-c2ccccc2)n1C 9114357 KSEDSZCTSQHYOH-UHFFFAOYSA-N 396.451 2.892 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccnc2)N1CCc1ccccc1 13730709 WAGZUZMHXZKCLC-RBBKRZOGSA-N 394.496 2.973 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)C(=O)NCC1(c2ccccc2)CCCC1 5352688 UYEJDQGUXXMHPO-SFHVURJKSA-N 394.471 2.571 0 40 GFAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 4510459 VCDUFCFWUYZTDR-UHFFFAOYSA-N 388.478 2.628 0 40 GFAB COc1cc2c(cc1OC)[C@H](C)N(CCN1C(=O)c3ccccc3C1=O)CC2 5423080 LDLJIAURKCDAOL-AWEZNQCLSA-N 380.444 2.919 0 40 GFAB biogenic COc1ccc(OC)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 4682302 VYORCSOEYKKREW-LLVKDONJSA-N 398.868 2.663 0 40 GFAB CCOc1ccccc1N1C(=O)NC(=O)[C@@H](Cc2ccc(OC)cc2OC)C1=O 4602953 QJWBEFSEOMNVBH-OAHLLOKOSA-N 398.415 2.544 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 5565166 UXVVONRGSKLJCN-BASYENTBSA-N 380.510 2.545 0 40 GFAB CCc1nc2ccccc2n1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 14797092 FYVWCUKWKQTHRW-UHFFFAOYSA-N 395.415 2.811 0 40 GFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 409198447 GCQSTBPHFLDRRO-UHFFFAOYSA-N 392.477 2.647 0 40 GFAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2nnc(C)s2)n1C 4999536 UVYQHSNAWOBMCP-VIFPVBQESA-N 390.494 2.770 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)c1 67263131 GSLVMEUKVYPSKX-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB CCOc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)ccc1OC(F)F 15645815 IKLRJWUBTXNACY-UHFFFAOYSA-N 375.335 2.915 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 7309442 USELIHMBPNVTTA-QGZVFWFLSA-N 375.446 2.992 0 40 GFAB Cc1cc(C)nc(SCc2nc3cc(NS(C)(=O)=O)ccc3n2C)n1 9421628 VWVYBXZIYPWACG-UHFFFAOYSA-N 377.495 2.644 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 8007557 DHSINFRMSOSIPI-UHFFFAOYSA-N 377.444 2.568 0 40 GFAB O=C(CNC(=O)c1ccccc1Cl)NCc1ccccc1CN1CCCC1 8012009 MMGRMFHPYXXQID-UHFFFAOYSA-N 385.895 2.982 0 40 GFAB CCCC(=O)NC(=S)NCc1ccc(-c2nn3c(CC)nnc3s2)cc1 408620344 IIFKWHGWQCHYKU-UHFFFAOYSA-N 388.522 2.706 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1ccco1)N1CCCCC1 8429199 MYBUBGPXEURHLM-GOSISDBHSA-N 390.505 2.787 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1OC 18209443 MNLFDKMPGGSOKV-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O 20573070 DDYNJFBOZOLEPT-GOSISDBHSA-N 393.443 2.838 0 40 GFAB CCCc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)nn1-c1ccccc1F 95966381 NNKPCGIUEGTWCW-CQSZACIVSA-N 397.458 2.805 0 40 GFAB COC(=O)CSc1nc2nc(C(C)C)c(-c3ccc(OC)cc3)c(N)n2n1 20676263 AIIHATNTQSYYSY-UHFFFAOYSA-N 387.465 2.771 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CSc3nnc(-c4ccco4)o3)nnc12 23273893 AUHHDQOHRCWDDY-UHFFFAOYSA-N 380.389 2.517 0 40 GFAB Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1C 408923470 CWIXBHMJTCJJKA-UHFFFAOYSA-N 396.534 2.712 0 40 GFAB CCc1nc(C)c2c(C)c(C(=O)NCC(C)(C)N3CCOCC3)sc2n1 24982634 JRGLZZGQTVPYPI-UHFFFAOYSA-N 376.526 2.711 0 40 GFAB COc1ccc(N(C)C(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)cc1 408976850 UGNJAESZWCYODU-UHFFFAOYSA-N 388.383 2.562 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)c1 408673829 XTEGJFTZFRWHJH-HNNXBMFYSA-N 392.411 2.607 0 40 GFAB CCN1CCN(Cc2ccc(NC(=O)c3nn(C)c4ccccc34)cc2)CC1 527941917 RKUWBQYPEHNJPG-UHFFFAOYSA-N 377.492 2.963 0 40 GFAB O=C(N[C@H]1CCCN(C(=O)NCc2cc[nH]n2)C1)c1ccc2ccccc2c1 531024398 YVAOWRBAOFMRJP-IBGZPJMESA-N 377.448 2.667 0 40 GFAB Cc1nc(CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cs1 30002956 XLNWLSGPMZTLCY-UHFFFAOYSA-N 378.571 2.681 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2cccc3ccccc23)cc1 121428985 VZUZSGJEXKVTRU-UHFFFAOYSA-N 382.485 2.997 0 40 GFAB O=C(COc1ccccc1F)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 62022953 XEACFWNTCLNCKT-ZDUSSCGKSA-N 396.378 2.747 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 72376652 IRJPSQDLTICNTJ-QGZVFWFLSA-N 395.507 2.671 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cn1 72371412 NDEKJQAQIGZMDK-OAHLLOKOSA-N 395.438 2.898 0 40 GFAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(C)(C)C)CC1 32127279 ISHZFCNUSQLETO-UHFFFAOYSA-N 390.553 2.850 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 72355316 AZWSITYXZNMMSY-QGZVFWFLSA-N 377.448 2.620 0 40 GFAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccccc1 224672706 URAQMKHLPOFESD-UHFFFAOYSA-N 391.445 2.540 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224722225 VLUKCQXVVMGWRR-UHFFFAOYSA-N 399.852 2.969 0 40 GFAB CN(c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)c1)S(C)(=O)=O 222492570 WROAXXGSJSTLMD-UHFFFAOYSA-N 382.825 2.717 0 40 GFAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1cccc(C)c1 224114180 JFYDCNKOFIVVIA-UHFFFAOYSA-N 382.460 2.920 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c2cccnc12 223370898 ZMQJKEKPMCBDEG-UHFFFAOYSA-N 376.365 2.882 0 40 GFAB COC(=O)c1cn(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c2ccccc12 222644196 WEVZXCYIUDSAIM-UHFFFAOYSA-N 398.440 2.574 0 40 GFAB O=C(CCn1cnc2ccccc21)NCc1nnc2cc(C(F)(F)F)ccn12 225807888 XXYLSBNGXXKXMA-UHFFFAOYSA-N 388.353 2.804 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222585930 AZMOCBASGOVGMP-UHFFFAOYSA-N 388.489 2.734 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100452 QVBNRFUFIPQOHA-UHFFFAOYSA-N 393.281 2.542 0 40 GFAB CC(C)Cn1cnc2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)cc2c1=O 95475659 VFQWGATWPHJVRH-IBGZPJMESA-N 390.443 2.866 0 40 GFAB CCc1nn(C)cc1CNC(=O)N1CCN(c2nccc3sccc23)CC1 585083759 HETXLPLAASWSCW-UHFFFAOYSA-N 384.509 2.624 0 40 GFAB CC(C)(C)C(=O)N1CCC[C@@H]1c1cnc(N2CC3(CCOCC3)OC2=O)cn1 257288384 PTZURSFGOZKFEN-OAHLLOKOSA-N 388.468 2.692 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC(C)(C)CC(C)(C)C)O2 260841800 CVZZQCKJXBVWNF-MRXNPFEDSA-N 382.526 2.853 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1=O 647703211 WDBQPWBCJCOFSP-UONOGXRCSA-N 387.411 2.719 0 40 GFAB O=C(O)[C@H](c1ccccc1F)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 656763306 MFVCAEGTEXKLFU-YJBOKZPZSA-N 392.452 2.858 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1nccn1-c1ccccc1 664902399 OZHWYSOAYVQLEW-IPELMVKDSA-N 394.479 2.805 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2OC2CCCC2)cc1 31982384 HRBBDQFSXYRLEX-UHFFFAOYSA-N 389.477 2.705 0 40 GFAB O=C(COc1ccc(Br)cc1)NCc1ccnc(-n2ccnc2)c1 48355169 NPUDLYUYQQVKMK-UHFFFAOYSA-N 387.237 2.725 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4nc(C5CC5)ns4)CC3)n2)n1 1775996270 NDNFGCDJGKSJED-UHFFFAOYSA-N 397.508 2.616 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615155287 KPZRZBBOWCKWPN-OAQYLSRUSA-N 386.471 2.574 0 40 GFAB Cc1c(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cnn1C 1615122595 PTKDLTXBTDLPIA-OAQYLSRUSA-N 386.471 2.656 0 40 GFAB C[C@@H]1Cc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@@H]4C3)ccc2N1S(C)(=O)=O 12181007 FFGZQGVHUYYKTP-VWFIUDSGSA-N 392.565 2.943 0 40 GFAB O=C(CCN1CCCC1=O)NCc1cccnc1Oc1ccc(F)cc1F 12318467 NHGLCOAXHUMITM-UHFFFAOYSA-N 375.375 2.781 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1OC 15638312 NZJKHPHVQJIOLQ-OAHLLOKOSA-N 384.432 2.865 0 40 GFAB O=C(Cn1ncn(-n2cccc2)c1=S)Nc1cccc(Br)c1 16777949 XHDOVXDKGOOEGH-UHFFFAOYSA-N 378.255 2.928 0 40 GFAB COc1cccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c1F 19567169 QNNZHDLFXFSFEH-UHFFFAOYSA-N 380.423 2.580 0 40 GFAB O=C1CCCN1C[C@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 620248475 XZTYSRCGRCPPQB-CYBMUJFWSA-N 375.519 2.885 0 40 GFAB C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCO2 24067380 TWHOZFAZSTXUKW-AWEZNQCLSA-N 379.416 2.818 0 40 GFAB CC(C)CN1C(=O)N[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1=O 3623534 ZNRUBMBCSHKXIQ-AWEZNQCLSA-N 377.750 2.536 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)cc3c2N1CCC3 4850749 BGDVRWCKSIWVBQ-UHFFFAOYSA-N 382.485 2.659 0 40 GFAB Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 5241962 NCKQUBZOCZCCOI-UHFFFAOYSA-N 394.382 2.804 0 40 GFAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc2c(c1)OCO2 11739159 WNPGUMKUHGMAAY-UHFFFAOYSA-N 398.400 2.781 0 40 GFAB COc1cc(OC)cc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c1 36699910 VYCPYRDIVCAOJB-NRFANRHFSA-N 384.476 2.897 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc(C3CC3)nn2)CC1 575618589 DTOGAXINXYQUNI-UHFFFAOYSA-N 392.912 2.827 0 40 GFAB CS(=O)(=O)c1ccc(CNC(=O)c2cccc(Nc3ncccn3)c2)cc1 40094694 SFBNHGPZSTZVHS-UHFFFAOYSA-N 382.445 2.554 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCCO4)cc2)C[C@@H](C)O1 40082121 VONNGVZXNZPUNV-CALCHBBNSA-N 396.487 2.997 0 40 GFAB COc1ncccc1CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 31321741 OOONPLHDFIACQK-UHFFFAOYSA-N 382.445 2.658 0 40 GFAB Cc1nc(NC(=O)CNC(=O)/C=C/c2ccccc2)sc1-c1nccn1C 32786948 NGXNCBJKYOJDAQ-CMDGGOBGSA-N 381.461 2.620 0 40 GFAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cn1cccnc1=O 32805596 DQNKCBCFQLYOOD-UHFFFAOYSA-N 377.444 2.871 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1 52737004 XKMJPZOQFUULIF-UHFFFAOYSA-N 375.385 2.600 0 40 GFAB O=C(CCSc1nnc(-c2ccc(Br)cc2)o1)N1CCOCC1 645125 SVVOTICBQPIDSI-UHFFFAOYSA-N 398.282 2.840 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)c1 886599 SZWBMNYQCLCRAU-UHFFFAOYSA-N 397.460 2.785 0 40 GFAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 941625 KWDALIPJKAGHCX-LLVKDONJSA-N 386.791 2.506 0 40 GFAB C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)N(C)c1ccccc1 3384601 JIRTZAXKEYXDKB-LBPRGKRZSA-N 395.864 2.952 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc(OC)c1OC 3451692 QCUIBOAHYZYVHJ-UHFFFAOYSA-N 377.368 2.955 0 40 GFAB O=C(CO[S@@](=O)c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1 4054136 VLCQEFPQZGHLHL-SANMLTNESA-N 394.880 2.855 0 40 GFAB CCN1C(=O)N/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)O)c2)C1=O 4658944 QFXPXQAKGCQKEV-LFIBNONCSA-N 396.399 2.885 0 40 GFAB Cc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)c(C)c2)cn1 4985728 FNIRXGYCIXIAOL-UHFFFAOYSA-N 375.856 2.667 0 40 GFAB Cc1cc(O[C@@H](C)C(=O)NCCCn2ccnc2)c2c(C)c(C)c(=O)oc2c1 6659715 NFEDQXJUMVTXCX-INIZCTEOSA-N 383.448 2.889 0 40 GFAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)ccc12 6659974 QGRAJWVZANAWOA-KUHUBIRLSA-N 381.428 2.973 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(Cl)c1 6789929 FHSGXSIHQGOPOM-INIZCTEOSA-N 395.912 2.785 0 40 GFAB CCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 7518283 HEIHYSFKTZQNML-UHFFFAOYSA-N 384.571 2.624 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1OC(F)F 7989672 DIWVFOKPGGEANS-UHFFFAOYSA-N 390.386 2.794 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C 8336443 RYCXEOPQVYNXAK-UHFFFAOYSA-N 383.853 2.679 0 40 GFAB COCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10324900 SEMDGNGVDVQGTD-HNNXBMFYSA-N 388.489 2.593 0 40 GFAB CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 10375291 QWDZSLRCVUKWGC-UHFFFAOYSA-N 388.489 2.668 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)c1ccccc1 11720912 BXIJLMPCJHYJRW-QAPCUYQASA-N 389.473 2.804 0 40 GFAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)c3cccc(F)c3)C1)CNC2=O 12086770 MLNBEEUCYGZOIN-NRFANRHFSA-N 384.407 2.632 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)c1nc(-c2ccncc2)n[nH]1 12114831 KDRIXLDMGRFJDU-LLVKDONJSA-N 377.857 2.868 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)N(C)CCCc4ccco4)nc(C)n32)o1 12115506 PWNOUQNGIIJVOH-UHFFFAOYSA-N 382.420 2.543 0 40 GFAB Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 12229542 DHIYSLIMGDOIRB-JKSUJKDBSA-N 378.519 2.676 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 12802219 OCLSQTMXFKNTRE-IAGOWNOFSA-N 397.562 2.590 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1nc(C)cc(C)n1 12979607 JPWOLKLCHWDNBA-ZDUSSCGKSA-N 375.450 2.765 0 40 GFAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CN2CCCCC2)CC1 13267620 HSRJZGBLNCHNOA-UHFFFAOYSA-N 380.492 2.526 0 40 GFAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 13695711 CUFHUCDMVDOQKU-IBGZPJMESA-N 384.407 2.911 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cnc3ccccc3n2)c1C 13984632 ZEBJYNWKNBFRTO-UHFFFAOYSA-N 384.461 2.749 0 40 GFAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022112 HLHRORSILUDCPX-FTIRYDQDSA-N 389.883 2.515 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)cc1 16293340 KWWJTBFNRFXWQI-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1 16691815 MBBZDHYDENEFOO-UHFFFAOYSA-N 380.510 2.713 0 40 GFAB CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)ccc1O 16753629 YAGXLTCWZOGWPN-IBGZPJMESA-N 395.411 2.743 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 17521561 JPFCFEXSVSLYTH-SFHVURJKSA-N 399.472 2.665 0 40 GFAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)[C@H]4CCCO4)sc3C)cc21 19796510 YFPMVVMCFHNXBS-OAHLLOKOSA-N 387.461 2.981 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 19886429 HJMNEQRGZMFZLP-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(Cl)cc1)N(C)CC3)OCO2 20111434 HPIBAQZDBWUJTE-INIZCTEOSA-N 399.838 2.630 0 40 GFAB biogenic O=C1C[C@H](C(F)(F)F)N(C(=O)CSc2nncs2)c2ccccc2N1 21443718 HZZKNJOSYYQXMZ-SNVBAGLBSA-N 388.396 2.937 0 40 GFAB O=C(CN1CCN(Cc2cc(-c3ccccc3)on2)CC1)N1CCCCCC1 22803705 QGEHRZILMMFOOR-UHFFFAOYSA-N 382.508 2.862 0 40 GFAB CN1CCN(CCCNC(=O)CSCc2c(Cl)cccc2Cl)CC1 22829377 OFESSDCZGOHLCF-UHFFFAOYSA-N 390.380 2.980 0 40 GFAB COc1ccccc1C(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 23041083 MUTDWFDEOIFISK-UHFFFAOYSA-N 388.489 2.540 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)c3cccnc3OCC(F)(F)F)cc2NC1=O 23129896 JPPPMJQQOJJNHK-VIFPVBQESA-N 381.310 2.994 0 40 GFAB CCC1(CC)NC(=O)N(C[C@H](O)COc2c(Cl)cccc2Cl)C1=O 24093239 JFGGJCTVHIYRQF-JTQLQIEISA-N 375.252 2.844 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2coc(-c3ccccc3)n2)c1 25239283 CNHFRQVIHNKLHB-UHFFFAOYSA-N 385.445 2.572 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)s1 25256612 VLTDYCUSPFLQDX-LLVKDONJSA-N 376.409 2.974 0 40 GFAB CCCCc1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 25522059 GUDJIPAYGICNLM-UHFFFAOYSA-N 379.468 2.717 0 40 GFAB CCOc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OC 26538966 XITZVHDVAGQLFD-UHFFFAOYSA-N 398.459 2.781 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(N2CCCC2=O)c1 27974951 WGBGZLQUDLZLED-UHFFFAOYSA-N 393.443 2.538 0 40 GFAB Cc1nnc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)s1 30570471 NAOCWVAZHVFWCN-UHFFFAOYSA-N 379.492 2.727 0 40 GFAB O=C(O)c1cccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)c1 32679678 XORLYWYNPPGKPY-UHFFFAOYSA-N 380.510 2.852 0 40 GFAB COc1ccc([C@@H]2CCCN2CCC(=O)N2CCN(c3ccccn3)CC2)cc1 32776732 MUQICPWMGZHQPU-NRFANRHFSA-N 394.519 2.966 0 40 GFAB NC(=O)N[C@@H](CC(=O)NCc1ccccc1)c1ccc(Br)cc1 32796267 SCAXBFZPJBQXOZ-HNNXBMFYSA-N 376.254 2.865 0 40 GFAB Cc1cccc(N2CCN(CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 32929985 PZRJVUXWOQOKBZ-UHFFFAOYSA-N 392.503 2.601 0 40 GFAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCOCC2)o1 40018105 PZQKWJHUBFDSQZ-MRXNPFEDSA-N 378.856 2.810 0 40 GFAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 40154180 PNWZKCBOBIMSDP-ZDUSSCGKSA-N 390.490 2.564 0 40 GFAB COc1ccc(CNC(=O)CCn2nc(-c3ccccc3)ccc2=O)c(OC)c1 41253529 CUSXWVHDJACDIC-UHFFFAOYSA-N 393.443 2.634 0 40 GFAB Cc1ccc(SCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 44791452 PBTREPFYZZAQDT-UHFFFAOYSA-N 396.509 2.809 0 40 GFAB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1c[nH]ccc1=O 44893701 DERFJKBRMPSZES-UHFFFAOYSA-N 375.428 2.652 0 40 GFAB C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@@H](C)O1 48325537 BFCQCNFFTWESFD-JTNHKYCSSA-N 376.931 2.821 0 40 GFAB Cc1ccc(O)c(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)c1 50533302 SQAGSOVGRULHEK-UHFFFAOYSA-N 387.461 2.544 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 56851402 BYKXAKUZWOSQOI-CZUORRHYSA-N 378.856 2.555 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 57471645 CPOURFHKJAWVTJ-UHFFFAOYSA-N 388.431 2.714 0 40 GFAB CS[C@@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58209571 HTCHDTIKINXIAM-SWLSCSKDSA-N 376.444 2.946 0 40 GFAB Cc1nc(CNS(=O)(=O)Cc2ccc(Br)cc2F)cs1 58245893 YHRNKLSSQCTBMG-UHFFFAOYSA-N 379.276 2.973 0 40 GFAB COc1ccccc1N1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1 58381674 DSXBXTDNYLPTEW-UHFFFAOYSA-N 392.496 2.820 0 40 GFAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc2c(c1)OCO2 71769048 PHOYNIKUTPVYKJ-UHFFFAOYSA-N 383.379 2.561 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)cc1 77197754 NZZAZXFRHUIBGW-LBPRGKRZSA-N 383.326 2.895 0 40 GFAB NC(=O)CC1(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CCOCC1 79016121 KEFHJDIGJJGRAA-UHFFFAOYSA-N 385.445 2.711 0 40 GFAB COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)ccc1NS(C)(=O)=O 83923443 XOSHQYWMBIJTCP-ZIAGYGMSSA-N 378.425 2.948 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOc1cccc(Cl)c1 84367991 BKYMTQIZRXSZMD-ZOBUZTSGSA-N 397.928 2.561 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Br)c2c(c1)OCCO2 84456855 VUGQETBDUYWHGA-GFCCVEGCSA-N 386.242 2.538 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CCN3CCCc4ccccc43)CC2)C1 84686246 FOSOKNYYGJZVFB-NHCUHLMSSA-N 398.595 2.561 0 40 GFAB C[C@@H](N1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1)C(F)(F)F 95971798 QVOAISUFGUSBMN-SNVBAGLBSA-N 388.814 2.877 0 40 GFAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN2CCOC[C@@H]2C1 96013896 YDGAZLLZKSIIOU-INIZCTEOSA-N 387.505 2.740 0 40 GFAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 96036764 WWJBVHHCVMKHOR-QGZVFWFLSA-N 388.537 2.607 0 40 GFAB CN(C)c1ncc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(N(C)C)n1 96098781 DJTWYSXOESYKBC-UHFFFAOYSA-N 390.296 2.716 0 40 GFAB COc1cn(CC(=O)NC2CC2)c(CN2CCC(c3ccccc3)CC2)cc1=O 96231204 MMWBDFUPOTZGGH-UHFFFAOYSA-N 395.503 2.515 0 40 GFAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nn1c(S)nc2ccccc2c1=O 102229021 JDEGUZQIADDUPX-JTQLQIEISA-N 375.837 2.876 0 40 GFAB O=C(NCc1ccco1)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102334747 KJDXXVXBZRNICE-GVARAGBVSA-N 386.429 2.733 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 103337345 BGUKJTTZTWXSBK-QZTJIDSGSA-N 392.908 2.970 0 40 GFAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1csc(CC(=O)OC(C)C)n1 106755750 XUPGOTOJGGVQEP-BPUTZDHNSA-N 380.510 2.943 0 40 GFAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108889493 IUNKCFMPPVLNDS-MBZVMHRFSA-N 382.460 2.738 0 40 GFAB Cc1cccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C 223940547 WFJNJSKFLZLARX-UHFFFAOYSA-N 388.489 2.788 0 40 GFAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1 224628185 NBZGEHOCACUKBI-UHFFFAOYSA-N 390.505 2.736 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225313916 ZLRXPOUIROXWKH-RDTXWAMCSA-N 376.478 2.505 0 40 GFAB CN(Cc1ccccc1)C(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225951900 RWTIHEHTQIDSLT-KRWDZBQOSA-N 380.897 2.979 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230156 MOQSAHOVJOVCIP-PABYOWBDSA-N 392.455 2.767 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1nnc(-c2cnccn2)o1 257287192 POXDFHJONZIXFE-MRXNPFEDSA-N 383.383 2.798 0 40 GFAB COCc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)c1 257315142 VABJRDVEEBXZKN-ICSRJNTNSA-N 382.460 2.618 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1Cl 260903953 YMAOKZJPBAEJAG-VXGBXAGGSA-N 376.906 2.664 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccnc4)C[C@@H]32)cc1 306134103 NDOACNRXYQNQMM-VXKWHMMOSA-N 388.471 2.973 0 40 GFAB CN1CCN(C(=O)c2ccncc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306134397 NLWFYZRMKGQQKX-NRFANRHFSA-N 398.470 2.920 0 40 GFAB O=C(COC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc(F)cc1 409003941 VZWAGSQQTPSZDI-QGZVFWFLSA-N 399.374 2.879 0 40 GFAB Cc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 409028710 QRQBFKFZZQKNHH-UHFFFAOYSA-N 384.567 2.943 0 40 GFAB COc1ccccc1CS(=O)(=O)NC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 528986490 ALXUSUZRAIEONX-INIZCTEOSA-N 397.399 2.741 0 40 GFAB O=C(c1cnn(Cc2ccccc2)c1)N1CCc2c(nnn2-c2ccccc2)C1 558235509 LZXMERQZPABXMZ-UHFFFAOYSA-N 384.443 2.711 0 40 GFAB CCc1c(NC(=O)N2CCC(n3cnnc3O)CC2)cnn1-c1ccccc1 565378288 GDADSUVZXPWPNN-UHFFFAOYSA-N 381.440 2.601 0 40 GFAB O=C([C@H]1CCc2nnnn2CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 565897382 HERBZNPYMPURHH-AWEZNQCLSA-N 382.443 2.652 0 40 GFAB O=C(CN1CCNCC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 574506957 CDILNWNJTZQWFT-UHFFFAOYSA-N 383.517 2.702 0 40 GFAB O=C(COc1ccc(-c2ccccc2)cc1)NCCn1cnc(C2CC2)cc1=O 575606424 GYVHFOKTKYSTFY-UHFFFAOYSA-N 389.455 2.983 0 40 GFAB O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCO[C@@H](c2ncon2)C1 575928831 RTLKIXNYVGTERI-CQSZACIVSA-N 394.309 2.957 0 40 GFAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccc(S(=O)(=O)C2CCC2)cc1 579570228 ZHERNWQWOSHVNC-UHFFFAOYSA-N 389.477 2.882 0 40 GFAB N[C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 582229153 MPBSOWSHDHSZLE-ICSRJNTNSA-N 386.496 2.564 0 40 GFAB O=C1NC2(CCN(C(=O)c3ccccc3)CC2)[C@H]2CN(Cc3ccccc3)C[C@@H]12 585106309 QROVNEITNYHZBZ-RTWAWAEBSA-N 389.499 2.539 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](c1csc2ccccc12)N(C)C 618257447 WMDMVBGZDQNGKE-INIZCTEOSA-N 392.550 2.833 0 40 GFAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ncc(C3CCOCC3)s2)C1 626577464 BVJHPBAYDKJFQO-HRCADAONSA-N 394.541 2.800 0 40 GFAB Cc1ccc(OC2CCN(C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)CC2)cc1 654639530 VDKPSUSEWRDAMY-KRWDZBQOSA-N 385.468 2.718 0 40 GFAB COCCN(Cc1ccccn1)C(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3 666952844 IQLRBEOMNUNGHZ-UHFFFAOYSA-N 378.476 2.840 0 40 GFAB Cc1ncnc(OCC2CCN(C(=O)c3nn(C)c4ccccc34)CC2)c1C 1565520767 NTQMPCQOUULTLK-UHFFFAOYSA-N 379.464 2.911 0 40 GFAB C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 1589949257 XCSCLODTGADEDH-CQSZACIVSA-N 387.447 2.682 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 1614940381 PKXZSRDZXNKIEC-HXUWFJFHSA-N 397.500 2.832 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)nc1 1615126966 BORFSKOFRFZRKX-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB Cc1ccc(CN2C(=O)N[C@]3(CCCN(C(=O)c4cccc(F)c4)C3)C2=O)cc1 1888913233 COZIUGLSGIUNOG-QFIPXVFZSA-N 395.434 2.861 0 40 GFAB O=C(c1cncs1)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841161 YSICDERNWLCJSM-LJQANCHMSA-N 389.452 2.711 0 40 GFAB Cc1cc2c(cc1CN1CC[C@]3(COCC(=O)N(c4ccccc4)C3)C1)OCO2 2037983686 CFRXDOIYAPBAJX-QHCPKHFHSA-N 394.471 2.979 0 40 GFAB COc1cccc(CN2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C(C)=O)c1 2055812517 JKPVSDZFKMBHGV-OAQYLSRUSA-N 399.516 2.597 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(O)c1)SCC(O)=N2 79501499 LDOOEIRBLDHQIR-MLGOLLRUSA-N 393.490 2.681 0 40 GFAB COc1cc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc(Cl)c1OC 3551464 FWNSTDHMJLGSLQ-UHFFFAOYSA-N 398.843 2.673 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 4044235 VPPDEEZJOFBAPZ-ISHFTEKXSA-N 375.424 2.712 0 40 GFAB biogenic O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc2ccc(Cl)cc2s1 104169247 LBQLWQISRINJQR-DMAMZFHHSA-N 387.848 2.695 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 6880423 JAGICLRPXAQTRL-HNNXBMFYSA-N 376.478 2.631 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCC(C)C 7361626 CKTVFWUJRBAMDN-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB CC(C)N1CCC[C@H](CNC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 105274357 RKZJRDOYUZPGIJ-QGZVFWFLSA-N 399.539 2.797 0 40 GFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 43283410 RKXWIRCHRXTTOH-DZGCQCFKSA-N 388.855 2.707 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2c[nH]c3ccccc23)C1=O 23946470 PDACKVCWFPTIDT-QFIPXVFZSA-N 390.443 2.685 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)OCCOc2ccc(Cl)cc2Cl)CC1 9984261 NUBCXUVSXCXWGN-UHFFFAOYSA-N 396.292 2.587 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CCC2=O)c1 56952804 AQTNAQXIECBDLC-QGZVFWFLSA-N 395.463 2.800 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)CCn2cnc3ccccc32)cc1F 24707103 GRJUGSFUTOBCFF-ZDUSSCGKSA-N 377.441 2.865 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)cc1 27597237 WOIKFYYPYGKTTR-OAQYLSRUSA-N 397.519 2.797 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)ccc21 10288201 SCUAWDVCCVAZKY-AWEZNQCLSA-N 390.427 2.813 0 40 GFAB CN1CCN(C2(CNC(=O)c3ccc(Br)o3)CCCCC2)CC1 27742180 KDJNPLVARIVLKO-UHFFFAOYSA-N 384.318 2.722 0 40 GFAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(S(C)(=O)=O)c1 48060140 KJJWAEWJNTZYLU-UHFFFAOYSA-N 393.484 2.825 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1C 28258953 YFJILQNXVRLZLM-UHFFFAOYSA-N 382.825 2.555 0 40 GFAB O=C(CCn1sc2ccccc2c1=O)Nc1nnc([C@H]2CCCO2)s1 36358112 IQJAIFFXZBWTCF-LLVKDONJSA-N 376.463 2.795 0 40 GFAB CC(C)(C)C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O 36357702 DXVRBLCDFSSRDZ-UHFFFAOYSA-N 384.476 2.956 0 40 GFAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(S(C)(=O)=O)cc1 10967306 LESDVNTXYNWKPG-ZDUSSCGKSA-N 386.473 2.930 0 40 GFAB Cc1cc(C)c(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(=O)[nH]1 12754126 FVYPALPHDWVLPN-HNNXBMFYSA-N 391.880 2.764 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1C 36614574 YJXDMTLVDDEUMZ-OAHLLOKOSA-N 376.526 2.728 0 40 GFAB CCCn1nccc1CNC(=O)c1cc(-c2ccn(CC)n2)nc2onc(C)c12 36617979 WLXVOWBCOLUFEZ-UHFFFAOYSA-N 393.451 2.951 0 40 GFAB NC(=O)[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 11808004 CHYGHZLGERBCCZ-ZDUSSCGKSA-N 391.403 2.579 0 40 GFAB Cc1ccc(-n2nnc(CC(=O)NC[C@@H](c3ccsc3)N(C)C)c2C)cc1 48366154 SAIDEEPOGSAUDA-IBGZPJMESA-N 383.521 2.907 0 40 GFAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCC(=O)NCc2ccco2)c1 12811489 GTNIJKSXVVFYHW-UHFFFAOYSA-N 391.427 2.887 0 40 GFAB CCCc1nc2c3ccccc3n(CC(=O)Nc3ccc(F)cc3F)c(=O)n2n1 62639794 DVRWQAFDZJITDM-UHFFFAOYSA-N 397.385 2.914 0 40 GFAB Cn1nnnc1SCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 12924436 YTWSLQSFYIEWES-UHFFFAOYSA-N 380.886 2.642 0 40 GFAB O=C(NCCc1cccs1)C1CCN(CC(=O)N2CCc3ccccc32)CC1 63301795 FCEPCBNUGRNOTF-UHFFFAOYSA-N 397.544 2.708 0 40 GFAB Cc1nc2sc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)c(C)c2c(=O)[nH]1 13683076 QNBJJYCCJIQPSG-SNVBAGLBSA-N 397.456 2.736 0 40 GFAB CCN(CC)C(=S)SCC(=O)N1CCc2cc(OC)c(OC)cc2C1 5168034 ADLHFMBJVGWNNY-UHFFFAOYSA-N 382.551 2.948 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c[nH]c12 6324071 JCJYBBYWIRMGQT-HOTGVXAUSA-N 396.443 2.631 0 40 GFAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1 14084327 JJUOXAZIHKOTHI-MRXNPFEDSA-N 392.814 2.630 0 40 GFAB COc1cc(C(=O)NCc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O 14086198 RBUYZNKPMZNESA-UHFFFAOYSA-N 383.231 2.796 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NCCCCOc3ccc(F)cc3)cnc12 9154116 NBLHGIVLDOSACW-UHFFFAOYSA-N 383.423 2.819 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 6623451 FWPAODUFCLPFQI-UHFFFAOYSA-N 392.433 2.549 0 40 GFAB COc1cccc(C(N)=O)c1OCC(=O)NCc1ccc(Cl)cc1Cl 14737088 SFPUFFHLOYXJIG-UHFFFAOYSA-N 383.231 2.796 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3s2)cc1 15332637 QPOXDPWRQSJVGA-UHFFFAOYSA-N 376.459 2.904 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 15497083 QUXCFUJJYYEKQE-IAGOWNOFSA-N 392.908 2.809 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(C4CC4)o3)ccc21 7290040 MSZFWZMEIHJGHK-UHFFFAOYSA-N 393.490 2.634 0 40 GFAB O=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)NCCc1c[nH]c2ccccc12 7212186 AMFXLXVUPIEYQR-UHFFFAOYSA-N 389.411 2.525 0 40 GFAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OCC(N)=O 15820557 DWUJZDQGBHCDFE-LBPRGKRZSA-N 398.415 2.805 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1OC 7726692 ZFMBHHCNGJFZPK-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CC(C)(C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230944 RKDAMSSXULGXBU-UHFFFAOYSA-N 390.505 2.946 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 19857114 QHCINRWQWLQRTM-QGZVFWFLSA-N 388.489 2.876 0 40 GFAB Cc1ccn(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)/c(=N/C2CCCCC2)c1 18099804 ZIBOKJSJYOGYSO-JBBCBPGOSA-N 381.476 2.621 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(-c2nnnn2C2CC2)c1 9956380 DLUPJMXPAQQMLQ-UHFFFAOYSA-N 377.404 2.975 0 40 GFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cccs3)n2)cc1OC 67768051 MJHGBPCPZNGCDB-UHFFFAOYSA-N 395.462 2.636 0 40 GFAB COc1ccc(N(C)C(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)cc1 408977231 WCCDHYSNGJMXTJ-UHFFFAOYSA-N 388.383 2.562 0 40 GFAB COc1ccccc1NC(=O)C[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1 408736853 JFZTXIXLDXHAIZ-MRXNPFEDSA-N 384.388 2.546 0 40 GFAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 38856627 HIBODMOBFSYKNQ-UHFFFAOYSA-N 398.488 2.888 0 40 GFAB COc1cccc(CC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 30000247 OAMHXDUUBAQFBX-JOCHJYFZSA-N 381.520 2.733 0 40 GFAB C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1)c1ccccc1 72344617 LWODNUGEIYHLLR-QGZVFWFLSA-N 395.503 2.783 0 40 GFAB CN1CCC(CNC(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCCO2)CC1 72371181 BGJSZKIGWNYAKK-QFIPXVFZSA-N 383.492 2.891 0 40 GFAB Fc1ccc(-c2cn3c(n2)CC[C@@H](NCc2cnc4cnccn24)C3)c(F)c1 560134170 ILRZEMWJHCWFLV-CQSZACIVSA-N 380.402 2.976 0 40 GFAB COc1cc(OC)cc(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)c1 79480294 PVDBFPKSBPIKQY-UHFFFAOYSA-N 383.408 2.582 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2[C@@H](c3cn(C)nc3C)n3ncnc3N[C@@H]2C)c(C)c1 36621402 YPLKRHLKVXCGEZ-FHLIZLRMSA-N 379.468 2.595 0 40 GFAB COc1cccc(Cc2cccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 72349315 KZEQSKXXVAQEBV-QGZVFWFLSA-N 389.521 2.667 0 40 GFAB CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 33654400 YRSBWXLOTFFPNN-UHFFFAOYSA-N 379.434 2.746 0 40 GFAB CC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CCCC2 223124415 ZALJOYGSZVULAI-LJQANCHMSA-N 378.538 2.804 0 40 GFAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 226860876 VYBNGBKAQAPUGW-GFCCVEGCSA-N 376.906 2.827 0 40 GFAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@H](O)C[C@@]12O 139365416 PVAMXWLZJKTXFW-SUPNCINQSA-N 390.520 2.575 0 40 GFAB CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225094418 LZQKNPGANXCKML-UHFFFAOYSA-N 381.425 2.901 0 40 GFAB C[C@H](NC(=O)C(=O)NCCN1CCC(c2cccs2)CC1)c1ccccc1 77104259 GHWINDGWOSBYQM-INIZCTEOSA-N 385.533 2.921 0 40 GFAB COc1ccc(NC(=O)CSc2cc(C)nc(-c3cnccn3)n2)cc1OC 49007078 XAXDKZGVKHMMKI-UHFFFAOYSA-N 397.460 2.990 0 40 GFAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 96053500 AUSDYHFLXAYTFJ-MRXNPFEDSA-N 394.537 2.605 0 40 GFAB Cc1noc(C)c1CN1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244251 POMVQNIOTSQTOU-NRFANRHFSA-N 377.448 2.817 0 40 GFAB CC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cccc(OC)c4OC(C)(C)[C@@H]3C[C@H]2C1 257200788 AEWYPMIBGWAFKD-BJZZIADLSA-N 388.508 2.898 0 40 GFAB COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 592199195 SOCBPGNMVWDSSM-QZTJIDSGSA-N 382.460 2.538 0 40 GFAB COCc1cc(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)ncn1 654020974 WMVPHABEVWDKEN-UHFFFAOYSA-N 378.436 2.978 0 40 GFAB Cc1nccc(N2CCN(C(=O)Nc3ccc(O[C@@H]4CC4(F)F)cc3)CC2)n1 668077030 CCPKQILMEAKRSV-MRXNPFEDSA-N 389.406 2.926 0 40 GFAB O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(Br)s1 96123406 IWNVBHRVHWXQDS-UHFFFAOYSA-N 392.300 2.859 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NCC2(OC)C3CC4CC(C3)CC2C4)cc1 96123920 JWOHVZOBNKOYIJ-UHFFFAOYSA-N 386.492 2.981 0 40 GFAB COc1cccc(S(=O)(=O)N2CCCSC[C@H]2CN2CCCCC2)c1 90609046 HMNQWZBLDLBWHK-MRXNPFEDSA-N 384.567 2.677 0 40 GFAB CCN1C(=O)CO[C@H](C(=O)N2CCc3cc(F)c(F)cc32)[C@H]1c1ccccc1 573143724 ZCPUBJWMAGHCGB-UXHICEINSA-N 386.398 2.843 0 40 GFAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc(C4CC4)on2)C3)n1 575404074 MCEGXYAOLMIYOR-QGZVFWFLSA-N 383.448 2.846 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NC3CC(F)(F)C3)C2)c1 585096074 ZGEMNUREXDAXSS-KRWDZBQOSA-N 388.418 2.693 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCc2ccc(OC)cc2)[C@@H]1c1ccccc1OC 585168580 WNBGUGIDPZLAMU-NQIIRXRSSA-N 382.460 2.930 0 40 GFAB O=C(NC1CCN(Cc2ccncc2)CC1)c1ccn(-c2ccc(F)cc2)n1 57167504 ASURVJLVWOABDM-UHFFFAOYSA-N 379.439 2.801 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970849 SOCMQBLNXNISIO-UHFFFAOYSA-N 399.454 2.707 0 40 GFAB COc1ccc(CN(Cc2cnc(C)n2C)C[C@H]2CCCO2)c(OC)c1OC 12147077 DPEHSKVUFRLFGS-GOSISDBHSA-N 389.496 2.936 0 40 GFAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccccc2Cl)C3)cc1 12154321 CVXQMIQYHWGIBL-GOSISDBHSA-N 383.835 2.999 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCSCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184785 SRWOMQHWEUBBOO-LJQHDNKASA-N 386.517 2.907 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)cc1 17303578 ACJPSLUFKLNNBK-UHFFFAOYSA-N 398.488 2.911 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)CCC(C)C)n1N 18410481 HTLLENWUXOBAPL-ZDUSSCGKSA-N 377.514 2.701 0 40 GFAB Cc1nc(C)n(CCC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)n1 19286003 MPROMORZNQLCBI-SFHLNBCPSA-N 385.487 2.513 0 40 GFAB Cc1nonc1C(=O)NCCn1ncc(-c2ccncc2)c1-c1cccs1 19558891 HOXCHTBVTUZZBN-UHFFFAOYSA-N 380.433 2.795 0 40 GFAB Cc1nc(C)c(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)s1 19560568 SGKTYFXOXIUMDQ-UHFFFAOYSA-N 395.554 2.646 0 40 GFAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2cccnc2)C1 19703519 ZTCIBPIWKLTKPT-JOCHJYFZSA-N 390.443 2.558 0 40 GFAB Cc1cc(C)n(CC(=O)N2[C@@H](c3ccccc3F)C[C@@H]3NC(=O)CCC[C@H]32)n1 19713813 LTTKONSPBNEXRX-IPMKNSEASA-N 384.455 2.650 0 40 GFAB CCc1noc(C)c1CNC(=O)NCc1cc(Br)cnc1OC 624117845 XBUFXCIQJZICBI-UHFFFAOYSA-N 383.246 2.711 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(F)cc4)C[C@H]32)c(OC)n1 247821398 DEDQMFBQGVDKFA-FQELHTAISA-N 387.455 2.753 0 40 GFAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888866348 INFZFAYHDMCUON-IYBDPMFKSA-N 383.496 2.516 0 40 GFAB O=C(c1cccnc1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888890795 IGTLCDCRNAIGBN-UHFFFAOYSA-N 377.448 2.933 0 40 GFAB COc1ccc(CCN2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)cc1 1889205646 VVRLXRMECOQNIQ-UHFFFAOYSA-N 392.507 2.652 0 40 GFAB CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)cc1 4585686 WIVWSIVBACLZGG-UHFFFAOYSA-N 385.401 2.595 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1C 5136847 DPVPSQZXXALXOI-UHFFFAOYSA-N 394.518 2.816 0 40 GFAB O=C(CCCc1ccccc1)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9121036 LGYISTMCHAMMBL-KRWDZBQOSA-N 382.416 2.880 0 40 GFAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1cc2ccccc2oc1=O 23127754 CCIKKLTYPYPOOB-FQEVSTJZSA-N 378.428 2.596 0 40 GFAB O=C(N1CCC(Cn2nc3c(cc2=O)CCC3)CC1)C1(c2ccc(F)cc2)CC1 585501844 LKINDLVVGWYALG-UHFFFAOYSA-N 395.478 2.842 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2cccc(OC)c2)sc2cc(OC)ccc21 100876961 KECGVHIMXBCEIC-VXPUYCOJSA-N 386.429 2.634 0 40 GFAB CNC(=O)C1CCN(C(=O)CCSc2ncnc3sc(C)c(C)c23)CC1 40149063 VSTUBEYXANSMRU-UHFFFAOYSA-N 392.550 2.775 0 40 GFAB CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O 20567846 FJJJWHVPBARVTC-UHFFFAOYSA-N 389.477 2.840 0 40 GFAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccs1 20559069 ZPKIPBJYLKSBKH-LJQANCHMSA-N 397.500 2.978 0 40 GFAB O=C1CCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 32691589 UZJXDDPULNLQPM-UHFFFAOYSA-N 399.497 2.747 0 40 GFAB S=C(NCCN1CCOCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 21548609 XHDUSNGWGJDSIW-UHFFFAOYSA-N 381.505 2.849 0 40 GFAB O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)nc1 32827664 XERFIYNDBQUQSD-UHFFFAOYSA-N 378.398 2.652 0 40 GFAB O=C(NCCOc1ccccc1F)N[C@@H](CN1CCOCC1)c1ccccc1 32802196 ZHIMXVQNIOJTEB-IBGZPJMESA-N 387.455 2.577 0 40 GFAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCN(c2ccccc2O)CC1 22085059 LRCLRQAXIKALBB-QGZVFWFLSA-N 379.460 2.632 0 40 GFAB CCOc1ccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)cc1 928684 TWHMIDPRVYXROA-UHFFFAOYSA-N 397.460 2.994 0 40 GFAB NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 1100103 DLSHWNWYVSWXDK-UHFFFAOYSA-N 391.251 2.809 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1nc(-c2ccccc2)ns1 1805646 UVRGKMOSEKULHP-UHFFFAOYSA-N 395.473 2.912 0 40 GFAB CCCn1nc(C(=O)OCC(=O)Nc2cccc(OC)c2)c2ccccc2c1=O 3288358 CDRRMTPPHFJIIL-UHFFFAOYSA-N 395.415 2.611 0 40 GFAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC2CCCC2)C1=O 3563638 YOSBRXZSMQZFQF-QGZVFWFLSA-N 384.263 2.819 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(F)cc1 3592568 OTJRQWKOIAVHHJ-FPTDNZKUSA-N 395.434 2.787 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(C)c(C)c2)[C@H]2CS(=O)(=O)C[C@@H]21 4393605 IPXSNTHTMPMHPT-ROUUACIJSA-N 386.473 2.924 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 4839360 FHQITKDTJFHFCK-HZQOKBKYSA-N 380.444 2.761 0 40 GFAB Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)cc1 4904998 AJRRWTJIQWOLAL-KRWDZBQOSA-N 391.471 2.862 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cccc(C(C)=O)c2)n1 4968148 YAYZAWCHIODOGD-UHFFFAOYSA-N 377.400 2.760 0 40 GFAB CCOc1cc(CNCCSc2nnnn2-c2ccccc2)ccc1OC 4993780 IDMWDCQKQUPDJJ-UHFFFAOYSA-N 385.493 2.952 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1OC 5251078 RTWBSWCTLPUJEM-UHFFFAOYSA-N 380.803 2.794 0 40 GFAB CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCCOC 5415457 MCLJQIMDFCMEID-HOTGVXAUSA-N 377.485 2.728 0 40 GFAB biogenic,in-vitro O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCCCS2(=O)=O)c1 5439106 NNYASBJSKVFYCR-UHFFFAOYSA-N 388.445 2.640 0 40 GFAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 6788136 XMWTUPKCNBIYBT-CQSZACIVSA-N 386.448 2.934 0 40 GFAB COCCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 6792073 ZLTLJSDGTUPQMG-BTYIYWSLSA-N 391.471 2.875 0 40 GFAB COc1ccccc1C(=O)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 6810947 HOIUWDZOMMUVLM-INIZCTEOSA-N 377.437 2.664 0 40 GFAB Cc1cc(C)n(CCCNC(=O)CSc2nnc(-c3ccoc3C)o2)n1 7218828 PKOQYUACLQVGCK-UHFFFAOYSA-N 375.454 2.750 0 40 GFAB CCn1c(=O)n(CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c2ccccc21 10751614 YXWDYNHELIDUPM-UHFFFAOYSA-N 394.475 2.537 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2cncn2)cc1 10886430 QZYYYAFRQZURFT-UHFFFAOYSA-N 375.476 2.721 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)NC3CCCCC3)n2)cc1 11694476 ZSCOWIRVKYJPOX-UHFFFAOYSA-N 384.480 2.941 0 40 GFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)NC1CCCCC1 11758450 LUHPHSUZBJKCMY-UHFFFAOYSA-N 382.493 2.811 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)c1 12085363 HUSXASKLCREKFD-INIZCTEOSA-N 397.504 2.892 0 40 GFAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCCC[C@@H]5C)nc4c23)C1 12184157 ZSZDBTGAKGTOGM-STQMWFEESA-N 399.520 2.632 0 40 GFAB CCc1nc(N2CCOCC2)ncc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 12194847 PFFVWDRNXTXRAF-HNNXBMFYSA-N 380.492 2.855 0 40 GFAB COc1ccc(C[C@@H](C)N2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)cc1 12220786 YLNOGSDLDMIIKO-VVWXKSFDSA-N 393.487 2.699 0 40 GFAB CCOc1ncccc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12275466 IANYSOMIBOXBAG-UHFFFAOYSA-N 379.420 2.945 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1O 12599256 RFZOIJADSAFUHK-UHFFFAOYSA-N 375.233 2.616 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 12764677 ILORIWKJWFJHAK-UHFFFAOYSA-N 381.432 2.533 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 12780905 PXLITUCHNYBCOV-OAHLLOKOSA-N 391.493 2.569 0 40 GFAB CCOc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NC)cc2)cc1OC 12914383 VMDAGFKEAGXZQG-KPKJPENVSA-N 390.461 2.654 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 12977201 ZVCLRMQQTJTATL-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB C[C@@H](Cc1ccco1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 13723293 BKAHUXRAFXCPIO-HNNXBMFYSA-N 395.459 2.842 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14196698 QAGRJYMTUYHUME-HNNXBMFYSA-N 397.456 2.593 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1 14222539 LQXPNPOUFKPAPJ-UHFFFAOYSA-N 384.461 2.999 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)C1=CCCCC1 14245913 GOQCFBUOSANRSF-NRFANRHFSA-N 383.448 2.523 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccco2)cc1 15390861 VMXSHHRMEGKSFK-MRXNPFEDSA-N 376.478 2.838 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)c1ccccc1 16228004 GJXNJSOTCHHMRP-BEFAXECRSA-N 399.516 2.670 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)c1ccccc1 16228006 GJXNJSOTCHHMRP-KXBFYZLASA-N 399.516 2.670 0 40 GFAB C[C@H]1CN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C[C@@H](C)O1 17325539 QUOFNDRSLMOCPU-GASCZTMLSA-N 380.444 2.852 0 40 GFAB Cc1nc(C2CCN(C(=O)c3scnc3C)CC2)ncc1C(=O)N1CCCC1 19766524 FBAJCGLBBKVERG-UHFFFAOYSA-N 399.520 2.806 0 40 GFAB Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)cc1 20121150 HUVLRNIARQREMX-FQEVSTJZSA-N 380.471 2.506 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 20460907 JZRJQPOELXLBSS-MRXNPFEDSA-N 378.538 2.795 0 40 GFAB Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(=O)NC1CCCCC1 21541827 IGSJRDJUPIAXLP-UHFFFAOYSA-N 388.497 2.530 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CCCCCC2)c1 22229605 BNZRLHGMSYLZRD-GOSISDBHSA-N 394.537 2.996 0 40 GFAB CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O 22540816 CZVFCCWGWYEJKA-CQSZACIVSA-N 394.468 2.868 0 40 GFAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCc2[nH]c3ccccc3c2C1 23207586 CVPNBODBROVEDC-UHFFFAOYSA-N 377.231 2.616 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CNc1cc(S(C)(=O)=O)ccc1C 23627099 SVICYIFJPSSGMR-AWEZNQCLSA-N 376.478 2.696 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 25405527 GYMBXWJWDRDJSZ-KRWDZBQOSA-N 377.488 2.990 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 29562057 VMGKIHGQKQFIAD-LIRRHRJNSA-N 395.411 2.835 0 40 GFAB O=C(Nc1ccc2oc(=O)[nH]c2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 29838690 BANXKBIKIFSTNV-UHFFFAOYSA-N 383.379 2.751 0 40 GFAB Cc1nnc(COC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)o1 32911220 HETWSCCKILYJLW-LLVKDONJSA-N 387.339 2.943 0 40 GFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCC(O)CC3)cc2)cc1C 32913508 HVXPOLXLKUVNBP-UHFFFAOYSA-N 381.476 2.633 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 33000494 ORALONDTOQEUJK-UHFFFAOYSA-N 395.459 2.923 0 40 GFAB O=c1ccc(-c2ccccc2)nn1CCc1nc(-c2ccc3c(c2)OCO3)no1 33309626 HZGFBKGJPFIROD-UHFFFAOYSA-N 388.383 2.932 0 40 GFAB CCCCCCC(=O)CCCCCC/C=C/C[C@@H]1OC(=O)[C@@](N)(CO)[C@H]1O 33913342 SWRBTIXRGZAKBN-ANSFIGKPSA-N 383.529 2.789 0 40 GFAB CCOC(=O)c1c([S@](C)=O)n(C2CC2)c2c(OC)c(F)c(F)cc2c1=O 35090221 OFSNUKRXXRAPEN-AREMUKBSSA-N 385.388 2.537 0 40 GFAB O=C(C1CC1)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 35291293 MLIVFCHGQKLFBM-UHFFFAOYSA-N 383.452 2.951 0 40 GFAB COCCn1c(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 36771971 BUDWJSNPXPTPRN-UHFFFAOYSA-N 376.844 2.509 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc2c(c1)CCN2C(C)=O 43733289 NHDRBVKLGNZHCL-UHFFFAOYSA-N 395.459 2.705 0 40 GFAB O=C1COc2cc(S(=O)(=O)N3CC[C@@H]3c3ccccc3)c(Cl)cc2N1 45815525 AORMJNLRRLPUDT-CQSZACIVSA-N 378.837 2.807 0 40 GFAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)N1 48250251 OEOOIRBFZJWSDI-UHFFFAOYSA-N 389.864 2.883 0 40 GFAB COc1ccc(CNC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)cc1 49411250 QGESVWVISBEPLH-UHFFFAOYSA-N 392.463 2.591 0 40 GFAB COCCNC(=O)CSc1ccccc1C(=O)N(C)Cc1ccc(C)o1 49931276 UIIJYUOKOBOZAL-UHFFFAOYSA-N 376.478 2.715 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)C2)n1 56131565 WVDMIQQDRGMNBX-PWSUYJOCSA-N 380.857 2.992 0 40 GFAB CC(C)[C@H]1Nc2ccccc2C(=O)N1CCC(=O)N=c1[nH]c2ccccc2[nH]1 61718901 PSVHXQGAICARJW-IBGZPJMESA-N 377.448 2.863 0 40 GFAB Cc1[nH]c2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cc2c1C 64901863 YOWXWSQBDSDPFQ-UHFFFAOYSA-N 375.432 2.596 0 40 GFAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCN(CC2CC2)CC1 65516791 JNIDHCDXBKPJOY-MRXNPFEDSA-N 378.467 2.528 0 40 GFAB Cc1ccc(-c2nc(CCNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cs2)cc1 65568572 SDPARYHKEAVAFU-GASCZTMLSA-N 395.550 2.605 0 40 GFAB COc1ccccc1C(=O)OCC(=O)NCc1ccccc1Br 67197788 CQZABWIQHBUQOW-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB COCCn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2c1=O 72400343 NFMAZKRPHMLVEX-NRFANRHFSA-N 392.455 2.862 0 40 GFAB O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 84525623 RJNFUZSLUQMAFM-MOPGFXCFSA-N 378.428 2.539 0 40 GFAB CCOC[C@@H](C(=O)OC)N(C)C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 84801142 NSPHNDRKTZNGJF-JTPHSUOKSA-N 398.459 2.710 0 40 GFAB CCOC(=O)c1c(N)sc2c1CCN(CCC(=O)N1CCc3ccccc31)C2 95408892 KXWCIIVQGBTQIX-UHFFFAOYSA-N 399.516 2.845 0 40 GFAB C[C@H](CO)CCCNC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 95444079 YDPSDAGMEKBWRK-INIZCTEOSA-N 396.553 2.778 0 40 GFAB CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 95999514 WMZGSDLQFQVMKH-QMMMGPOBSA-N 395.432 2.641 0 40 GFAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cncc(Br)c1 96120556 ZSDGKOCWXWHNPN-UHFFFAOYSA-N 392.253 2.719 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1ccc(F)cc1 96238770 NDBUAGHBSOKCEA-QGZVFWFLSA-N 380.466 2.705 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc12 96241966 RRJBDVIGEJRGTM-MRXNPFEDSA-N 378.538 2.772 0 40 GFAB CC(C)(C)OC(=O)NCc1nc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 98212983 DOCZMULZJVFZFP-CYBMUJFWSA-N 390.415 2.750 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2Cc1ccccc1F 100738258 CDRDFHMTRDHLEV-QZTJIDSGSA-N 383.467 2.818 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@@H]1CCCC[C@@H]1C 108320323 HNXODKMWKDVLFE-GRDNDAEWSA-N 397.475 2.583 0 40 GFAB Cn1nccc1CS(=O)(=O)c1ncc(-c2ccccc2)n1CC(F)(F)F 163450794 FRJCMDLHRWVFNN-UHFFFAOYSA-N 384.383 2.820 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)c1 216758751 RZFVGAJNDOQJBQ-UHFFFAOYSA-N 390.461 2.802 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@H]1CCCO1 217638767 MWKDVJCHNKCXJL-CQSZACIVSA-N 376.434 2.777 0 40 GFAB CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(F)cc3)n2)cc1 223633885 CYMVXJQSSDREFQ-UHFFFAOYSA-N 391.424 2.894 0 40 GFAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(C)c1 223705516 HKXITMSTGXFYQM-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2ccccc2Cl)cc1)S(C)(=O)=O 224216767 OCNDVOZUYVOSMA-UHFFFAOYSA-N 396.896 2.935 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCCC2)cc1 225293976 KFEPHKAFXKFBPA-SILNSSARSA-N 397.475 2.661 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)s2)c1 225807271 QSMIBWWMGFMYFD-BZPMIXESSA-N 392.506 2.566 0 40 GFAB COc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)c(OC)c1 225949787 CDOSWJPEGIGRTF-IBGZPJMESA-N 390.461 2.641 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN(C(=O)CCN3CCCCC3)C2)n1 257255710 KINUCQHRFKPLCG-SFHVURJKSA-N 396.539 2.768 0 40 GFAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)COC)CC1 257269837 MRPANNOLFLTLNU-UHFFFAOYSA-N 395.503 2.682 0 40 GFAB O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@@](O)(CN2CCCC2)CC1 257314170 UVPLZFGWBFHUEW-NRFANRHFSA-N 386.471 2.669 0 40 GFAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccsc1)C2 306134849 NZQUXYWOUUZYOM-AWEZNQCLSA-N 375.469 2.898 0 40 GFAB Cc1cc(-c2cccnc2)nn1CCNC(=O)/C=C/c1ccc2c(c1)OCO2 390826325 IEELWXSMPOXOJI-FNORWQNLSA-N 376.416 2.812 0 40 GFAB Cn1c(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)nc2c(Cl)cccc21 529046739 MTDIVYXYJOIKII-UHFFFAOYSA-N 398.850 2.951 0 40 GFAB CN1c2cc(F)c(NC(=O)CCC(=O)c3ccccc3)cc2N(C)S1(=O)=O 575610811 BKEGBYHAHHKIFQ-UHFFFAOYSA-N 391.424 2.558 0 40 GFAB COc1ccnc(N2CCN(Cc3c(C(=O)O)sc4ccccc34)CC2)n1 579719492 FIWDJERTUZHSAI-UHFFFAOYSA-N 384.461 2.720 0 40 GFAB COCCNC(=O)CC1CCC2(CC1)CCN(C(=O)Cc1ccccn1)CC2 585101523 PTABLKFARIXXSC-UHFFFAOYSA-N 387.524 2.576 0 40 GFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1cccc(F)c1 585262321 YYGOUBMPHKDHPC-CZYKHXBRSA-N 398.478 2.991 0 40 GFAB O=C(NCC[C@H]1CC1(F)F)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 621500473 RRSAHGLOYPXHJF-JSGCOSHPSA-N 379.386 2.744 0 40 GFAB Cn1cc(-c2nnc(N3CC4(CCCO4)C3)n2C[C@H]2CCOC2)c2ccccc21 625180758 OBHBRPLDFNGZLT-MRXNPFEDSA-N 393.491 2.843 0 40 GFAB Cc1cnc(OC2CCN(C(=O)CC3(C(=O)O)CCCCCC3)CC2)nc1 634925357 WGIWKMDTFYEUHM-UHFFFAOYSA-N 375.469 2.970 0 40 GFAB CCC(=O)N1CCN2CC(=O)Nc3cc(-c4ccccc4)ccc3OC[C@@H]2C1 1772594760 WHSHBLDVBPUSDI-SFHVURJKSA-N 379.460 2.607 0 40 GFAB Cc1cnc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)cn1 1888897018 GJCLRYGRRYQLOU-IRXDYDNUSA-N 390.491 2.924 0 40 GFAB CCn1c(N2C[C@@H]3CN(C(=O)c4cncc(F)c4)C[C@H]3C2)nc2ccccc21 1888913883 INPZCIFAUCWWHV-HOTGVXAUSA-N 379.439 2.799 0 40 GFAB CSc1ccccc1NC(=O)N1C[C@H]2CCN(CC(=O)N(C)C)CC[C@H]2C1 2056224401 PPHBIQJCRQYTAT-IYBDPMFKSA-N 390.553 2.672 0 40 GFAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)c2cc(OC)no2)C3)cc1 2056224668 OVEXVXOZSSJYBZ-CYBMUJFWSA-N 375.450 2.504 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)NCc1ccco1 905376 AQHNJUGASQDVGM-AWEZNQCLSA-N 388.449 2.719 0 40 GFAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCCC1 911295 BDOKRPCNFBOYRR-GOSISDBHSA-N 396.495 2.854 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1 1380648 DSMCZFYXAUPUHI-UHFFFAOYSA-N 386.477 2.774 0 40 GFAB Cc1cc(OCC(=O)NCCCCCC(=O)O)c2c(C)c(C)c(=O)oc2c1 2148160 NUTHWMJGFINKAY-UHFFFAOYSA-N 375.421 2.858 0 40 GFAB biogenic CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC 2487057 AZOBMXNQKHNDMY-BDJLRTHQSA-N 390.461 2.916 0 40 GFAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3434869 RZQIJOZHKSVKHG-CQSZACIVSA-N 394.427 2.978 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 3462783 HRDKWERZGORTIV-GOSISDBHSA-N 375.787 2.885 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4046278 YWZIKHGMOUDZQZ-MPHOGZCYSA-N 392.455 2.984 0 40 GFAB biogenic O=C(c1ccccc1)[C@@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 4338041 PCFFHFGMZBUXOR-GRDNDAEWSA-N 396.390 2.661 0 40 GFAB CCOC(=O)N1CCC(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 4778496 ODXCNSHRNZVKAK-LEOMRAHMSA-N 395.544 2.691 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 5092460 GMTQUPLCNPNNBD-MANSERQUSA-N 378.403 2.661 0 40 GFAB COCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(OC)cc1)N2 5200808 GJKPKDDWCHXMBJ-DZGCQCFKSA-N 398.385 2.928 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C 5222264 OEFLCBKXINDGNL-AWEZNQCLSA-N 394.880 2.741 0 40 GFAB COC(=O)C1CCN(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 5471765 SGZCEHYLSAKDCS-UHFFFAOYSA-N 395.455 2.851 0 40 GFAB Cc1nc(C(=O)N[C@@H](C)C(=O)N[C@H](CO)CC(C)C)cc2c1[nH]c1ccccc12 6623776 WMJCUWKQHSUXAN-GJZGRUSLSA-N 396.491 2.666 0 40 GFAB biogenic CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)C2CCCCC2)c1 6637320 SJRLWWOHZMMFGD-UHFFFAOYSA-N 381.542 2.920 0 40 GFAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 6831265 WTNMPHWMUJNKKY-UHFFFAOYSA-N 391.393 2.784 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)NC2CCCCC2)c1 7718261 WTXBGLSTTTURSV-SFHVURJKSA-N 389.496 2.999 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 7871819 ARPFRAYTIYASFD-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCC2 7942650 WDVAHBZRFRMGIZ-UHFFFAOYSA-N 383.473 2.762 0 40 GFAB Cc1noc(C)c1COc1ccc(CC(=O)NCc2nnc3ccccn23)cc1 7988579 JHEMIBRKZLQCIY-UHFFFAOYSA-N 391.431 2.772 0 40 GFAB C[C@@H]1Cc2cc(C(=O)NCc3ccccc3Cl)ccc2N1S(C)(=O)=O 8076851 LRFRCHCHTOCJMJ-GFCCVEGCSA-N 378.881 2.981 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c(C)noc2C)cc1 8341115 OCIQHRHYRFLSBZ-GFCCVEGCSA-N 379.482 2.813 0 40 GFAB O=C(c1ccc(-n2cccn2)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9377584 BMEYUCVGXWCINM-UHFFFAOYSA-N 387.443 2.993 0 40 GFAB O=C(O)CC[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)O 9531955 CSUNWMISCHODRY-ZDUSSCGKSA-N 391.449 2.503 0 40 GFAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)s1 9835277 MJDHRIGRSPUYQF-LBPRGKRZSA-N 394.518 2.853 0 40 GFAB CN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccccc1 10285782 OBKYWBCBPKQOKG-UHFFFAOYSA-N 397.294 2.878 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10365588 GVWCYPGSTOGXEE-INIZCTEOSA-N 390.505 2.726 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406830 AEFZEUOARHDNFA-SNVBAGLBSA-N 378.408 2.847 0 40 GFAB Cc1nc(-c2ccccc2Cl)nc2sc3c(=O)n(CC(N)=O)cnc3c12 12407652 UZTILAYVXCHKGV-UHFFFAOYSA-N 385.836 2.515 0 40 GFAB C[C@@H](CO)NC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 12408974 HDAZBPRIRFEXAG-KRWDZBQOSA-N 380.488 2.554 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)c1 12522735 BNSDHVXXTRBLDO-MRXNPFEDSA-N 395.459 2.523 0 40 GFAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)NCc2cccs2)c1 12537627 PFRSBRSWPDTPLW-UHFFFAOYSA-N 387.490 2.696 0 40 GFAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12818283 KQMSSYRACRTEKI-UHFFFAOYSA-N 382.501 2.923 0 40 GFAB COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1Cl 12884086 FKTPFYZYXNIDGT-HXUWFJFHSA-N 399.834 2.896 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C[C@@H]1OC(=O)c2ccccc21 12913373 XGWFRGKKURTFEI-AWEZNQCLSA-N 392.333 2.803 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccccc2F)cc1 12939383 PEVONRMCKCJGLM-UHFFFAOYSA-N 393.484 2.856 0 40 GFAB CC(C)c1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 12987029 SCLONXHHGNMJEX-ZDUSSCGKSA-N 381.885 2.566 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2cnn(-c3ccccc3)c2C)c1 12996917 PKCHHBZKUOVIQA-UHFFFAOYSA-N 379.416 2.663 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 13580802 NIACVHWWUOSKJJ-HNNXBMFYSA-N 398.500 2.638 0 40 GFAB Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C 16636522 XUZJZHYLNXXIMI-INIZCTEOSA-N 397.475 2.972 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)cc1 18232168 GLOMVCVEGQVZAI-HNNXBMFYSA-N 392.459 2.673 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)cn1 19525053 KGRVUXVVZNYHOA-CYBMUJFWSA-N 379.467 2.540 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 20014839 XGVDABHBXLLMJT-AWEZNQCLSA-N 394.468 2.722 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 20543203 NZJAOOLQBWTZRD-UHFFFAOYSA-N 389.477 2.893 0 40 GFAB Cc1ccc2c(COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc(=O)oc2c1 21454290 BLBZKJXJAGRTJQ-AWEZNQCLSA-N 381.384 2.786 0 40 GFAB Cc1nc(COc2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)no1 21475743 YCDBFASYWBUSHC-NSHDSACASA-N 394.387 2.929 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230812 JPGXYGGWKXJREA-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2-n2cccc2)CC1 22518940 KYKRTSMGDFYRKH-UHFFFAOYSA-N 397.866 2.654 0 40 GFAB Cc1ccc(C)c(OC[C@@H](O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 23389446 WQQLEAVVOBVKHY-KRWDZBQOSA-N 381.476 2.720 0 40 GFAB COC(=O)c1sc(NC(=O)CNc2cccc(C)c2)c(C(=O)OC)c1C 24839652 YIRDOQMQNIBNNB-UHFFFAOYSA-N 376.434 2.989 0 40 GFAB Nc1nn(CC(=O)c2ccc(OC(F)F)cc2)c(=S)n1Nc1ccncc1 28535047 SWJUMJADVUTVDD-UHFFFAOYSA-N 392.391 2.751 0 40 GFAB CC(C)c1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 33283113 IPQICWIYVMTGMG-ATVHPVEESA-N 375.453 2.849 0 40 GFAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)NCc2ccc(Cl)cc2)cc1 35595024 RYGNFILSIRFHNA-UHFFFAOYSA-N 388.855 2.528 0 40 GFAB COc1cccc(-c2nc(CC(=O)N[C@H](C(=O)O)C(C)C)cs2)c1OC 36366627 BKBDWZUNNIBFGF-HNNXBMFYSA-N 378.450 2.595 0 40 GFAB COc1ccccc1CNC(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1 36366929 PAEZDJXWYCKMOB-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB CCn1ccc(-c2cc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c3c(C)noc3n2)n1 36618011 IIVHNQWIFZDTIP-GOOCMWNKSA-N 394.479 2.770 0 40 GFAB O=C1COc2cc(S(=O)(=O)N(Cc3ccco3)C3CC3)c(Cl)cc2N1 40091320 MZDGFMJJHRTDQQ-UHFFFAOYSA-N 382.825 2.617 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)c1cnc(-c2ccccc2)s1 40106564 FODUYPPASXPWBN-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)c2ccoc2)N2CCCCC2)cc1 48185841 MEZBYMFBZBHBGY-OXJNMPFZSA-N 399.491 2.750 0 40 GFAB Cc1cccc(Nc2ccc(N3CCN(C(=O)/C=C/c4ccco4)CC3)nn2)n1 49422414 AHRSVVPFKHKQKN-JXMROGBWSA-N 390.447 2.879 0 40 GFAB CCc1ccccc1NC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O 51316840 QSFXTHDWKXOQGE-UHFFFAOYSA-N 379.445 2.821 0 40 GFAB CCCS(=O)(=O)N1CCC(Nc2nn3cc(C(C)(C)C)nc3s2)CC1 52103448 IVRXDYJNZQVEJZ-UHFFFAOYSA-N 385.559 2.704 0 40 GFAB O=C1CN(Cc2ccc(Br)cc2)[C@@H](c2cc3ccccc3[nH]c2=O)N1 54706415 FGVBJQQIRDNZFD-SFHVURJKSA-N 398.260 2.921 0 40 GFAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc3c(c2)OCO3)C1 58201317 XZBQJRHFUSKNMC-GDBMZVCRSA-N 375.469 2.642 0 40 GFAB COc1ccccc1-c1cc(NC(=O)CCS(=O)(=O)C2CCCC2)[nH]n1 58245395 ALMJSRFVRKYSFD-UHFFFAOYSA-N 377.466 2.771 0 40 GFAB O=S(=O)(Cc1cc2c(cc1Br)OCCO2)c1ccc(O)cc1 63927581 OUESHJMPWXTVGG-UHFFFAOYSA-N 385.235 2.900 0 40 GFAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccccc3F)c(=O)n12 65196622 MKCNWLOWUILNFU-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB CC(C)(C)OC(=O)NCCOC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 65538772 SNAIQQMIKYIHAC-UHFFFAOYSA-N 394.512 2.777 0 40 GFAB CCOc1ccc2c(c1)C=C(C(=O)N1CSC[C@H]1C(=O)N(CC)CC)CO2 65591416 KITYGNJTYLABDB-KRWDZBQOSA-N 390.505 2.631 0 40 GFAB O=C1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CCN1 65902959 BXAYMCRGDHYSHE-UHFFFAOYSA-N 375.375 2.994 0 40 GFAB C[C@H](CN1CCCC1=O)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 66627442 SKVDKXLSZGNUFQ-CQSZACIVSA-N 386.521 2.640 0 40 GFAB Cn1nc(N2CCC[C@@H](C(=O)Nc3ccccc3OC(F)(F)F)C2)ccc1=O 77100962 SNEFMFJDDRHENA-GFCCVEGCSA-N 396.369 2.534 0 40 GFAB Cn1nc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)ccc1=O 90592496 JZEXFYJHTMEKDY-UHFFFAOYSA-N 380.370 2.654 0 40 GFAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nc(-c2ccccn2)cs1 95478914 XJXAOOKMSBPURM-AWEZNQCLSA-N 393.428 2.934 0 40 GFAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCc3[nH]ncc3C2)cs1 95960376 FQDHLAXBQLQRSU-UHFFFAOYSA-N 379.489 2.789 0 40 GFAB CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccsc1)CC2 96036948 IOIXXRCBUDTAOO-UHFFFAOYSA-N 382.537 2.782 0 40 GFAB CCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc(OC)cc3)C(C)=O)C2=O)cc1 100560705 FFQKDTHSVQTYIK-FQEVSTJZSA-N 396.443 2.775 0 40 GFAB Cn1c(=O)oc2cc(NC(=O)NCc3ccc(-n4ccnc4)c(F)c3)ccc21 102957826 PYQBHNOLZRUOFT-UHFFFAOYSA-N 381.367 2.778 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220095043 WCLYWDZKNOFZLG-CYBMUJFWSA-N 382.432 2.917 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)ccc21 224886457 XQCDPUFFPQRXHD-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 253595661 HENRGOQCCGDMFN-VONVNUAUSA-N 397.519 2.543 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1F 260836841 AGAMYZJXABAVEF-IBGZPJMESA-N 390.480 2.781 0 40 GFAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 260850804 RBTOCPLGEFCUII-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB Cn1c(SCC(=O)N2CCCC2)nnc1-c1cc(Br)ccc1O 408542162 HQHVZHFPPSXMAB-UHFFFAOYSA-N 397.298 2.665 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 575406308 ZRWFTXKSRLKGMH-KRWDZBQOSA-N 388.418 2.646 0 40 GFAB COc1ccc(CCC(=O)NCc2cncc(-c3cnn(C)c3)c2)c(OC)c1 575414913 ZVFKHUBYHJQMDC-UHFFFAOYSA-N 380.448 2.748 0 40 GFAB CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H](C)Oc4ccccc43)cc2C1 585091656 IRPLFNOJXDODGD-LBPRGKRZSA-N 392.502 2.629 0 40 GFAB C[C@@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585098666 WLZDUXSQQBKQGS-CQSZACIVSA-N 391.475 2.793 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)Nc2ccc(-c3ccsc3)cc2)[C@@H]1c1cnn(C)c1 585139817 VGPZXDXRBFQCEL-RBUKOAKNSA-N 396.472 2.686 0 40 GFAB C[C@]12CCN(CC3(O)CCN(c4ccccc4F)CC3)[C@H]1CCCCC(=O)N2 585283263 MOSOFUYBHVOYDP-FPOVZHCZSA-N 389.515 2.680 0 40 GFAB COc1cccc([C@H](CNC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)N2CCCC2)c1 626744052 AVHKAZOFGCGAKQ-IPELMVKDSA-N 389.496 2.584 0 40 GFAB Cn1nc([C@@H]2CCCO2)cc1NC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 654053983 AHXXTEWMKUESDY-KGYLQXTDSA-N 376.379 2.893 0 40 GFAB O=C(NCCc1cnc2c(Cl)cnn2c1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 664976375 UMDLZQKXJFTLLG-BHYGNILZSA-N 385.830 2.702 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cn1 1147163562 YUTAZIYFLMJBCP-WQFQCULDSA-N 394.475 2.824 0 40 GFAB C[C@@](CO)(c1ccc(Br)cc1)N1CCN(Cc2nccs2)CC1 1614972619 VQNQCNFVSXIYEG-QGZVFWFLSA-N 396.354 2.931 0 40 GFAB CN(C(=O)c1ccsc1)[C@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 1615057536 FLKPLTLBKSLUIK-HNNXBMFYSA-N 386.473 2.896 0 40 GFAB O=c1c2ccccc2ncn1CC1CCN(Cc2nnc(C(F)(F)F)o2)CC1 1775973534 NFUYROFABMJZDI-UHFFFAOYSA-N 393.369 2.711 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2cncc(F)c2)CC1 1848619213 SWJQAGHAZVLJDA-UHFFFAOYSA-N 380.423 2.791 0 40 GFAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)c4cncc(F)c4)CC3)n2n1 1888875757 DEMGQZBQOBNOJF-UHFFFAOYSA-N 382.443 2.976 0 40 GFAB CCN1CCc2ccccc2NC2(CCN(Cc3cn(C)cn3)CC2)CC1=O 2037985466 KYSSMKCKRMDMNC-UHFFFAOYSA-N 381.524 2.662 0 40 GFAB O=C(Nc1nc2c(s1)CCCC2)c1cccc(N2CCCS2(=O)=O)c1 12255805 MYPXFEYMWKFZDP-UHFFFAOYSA-N 377.491 2.814 0 40 GFAB COc1ccccc1CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22226929 DQUYLPCZVHKKRE-UHFFFAOYSA-N 398.488 2.694 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)s1 1324919 CBMHXYSKVLDRDP-GFCCVEGCSA-N 394.522 2.916 0 40 GFAB O=C(C[C@@H]1CCCCCN1C(=O)c1cccc(-n2cnnn2)c1)c1ccco1 79103356 YZTBQFVCJINGHC-INIZCTEOSA-N 379.420 2.913 0 40 GFAB COc1cccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)c1 6794927 LYNKKLBMQLJMQE-UHFFFAOYSA-N 380.448 2.738 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(NC(=O)[C@@H](C)Oc3cccc(C)c3)C(=O)[C@@H]21 102217145 VBYFAYGFGIGFRT-NFBPCRFFSA-N 382.460 2.771 0 40 GFAB O=C(Cc1csc(-c2ccccc2Cl)n1)NS(=O)(=O)N1CCCCC1 52795980 OXKWKZDFJGKSJG-UHFFFAOYSA-N 399.925 2.853 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccccn3)ccc21 24051469 LNQJIKUGVUIZTJ-IBGZPJMESA-N 395.440 2.594 0 40 GFAB NS(=O)(=O)c1ccc(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)s1 25302044 YIWQHABEINDHDP-UHFFFAOYSA-N 377.447 2.595 0 40 GFAB CC(C)n1ncc2cc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cnc21 25457521 DFYOJCHBYBFPQU-UHFFFAOYSA-N 379.420 2.914 0 40 GFAB CN(C)C(=O)CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 57584506 PHUWZYXEQJWHOJ-UHFFFAOYSA-N 381.505 2.569 0 40 GFAB COc1ccccc1[C@H]1[C@H](N2CSCC2=O)C(=O)N1CCc1ccccc1 58266635 BKKUSWJCCHMBDY-PMACEKPBSA-N 382.485 2.723 0 40 GFAB CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)occ(CN3CCOCC3)c2=O)C1 101342481 PVTHFWUNDRMVNH-KKSFZXQISA-N 376.497 2.578 0 40 GFAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCC(=O)O)ccc12 2107759 SNPXZLMZBFQGIK-ZDUSSCGKSA-N 375.421 2.802 0 40 GFAB biogenic CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1 10393865 GISUQWFNEWLGLO-UHFFFAOYSA-N 388.367 2.887 0 40 GFAB CCOCCCNC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 2265529 BDUYRKDUXBRXIT-AWEZNQCLSA-N 397.479 2.502 0 40 GFAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2c(C)c(C)cc(C)c2C)s1 10627680 OWPAFKYRXACAFG-UHFFFAOYSA-N 381.523 2.992 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10362243 MZGUNHDIIWKFMM-ZDUSSCGKSA-N 389.477 2.839 0 40 GFAB COC(=O)c1cc(NCC(=O)Nc2ccc3c(c2)OCCO3)c(F)cc1F 45734463 CURDWWSDLRGTAM-UHFFFAOYSA-N 378.331 2.573 0 40 GFAB CC(C)Oc1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 22396117 DEECAEWRWWURJN-UHFFFAOYSA-N 388.489 2.829 0 40 GFAB CCCOc1c(Cl)cc(C(=O)N2CCN(c3cnccn3)CC2)cc1OC 11543430 NEUYGCWFMUJHHY-UHFFFAOYSA-N 390.871 2.890 0 40 GFAB CSc1nc(C)c(CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1 12890014 LENPNWPOQJQRLD-UHFFFAOYSA-N 397.504 2.643 0 40 GFAB COc1cccc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)c1 3464776 ZSFXLGLGNCIGPY-UHFFFAOYSA-N 381.457 2.765 0 40 GFAB COc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc(Cl)c1OC 12944969 SQZWGUPJXYUCSU-UHFFFAOYSA-N 393.852 2.927 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OC)cc1 13121904 ZGYQAUDERWNFTQ-FQEVSTJZSA-N 379.416 2.983 0 40 GFAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cnc2ccccc2n1 9048274 XWACVMLYMIHXMH-AWEZNQCLSA-N 376.416 2.791 0 40 GFAB COc1ccc2c(C)c(CCC(=O)NCCCn3ccnc3)c(=O)oc2c1C 3985121 GYDOUKAGAQCJIG-UHFFFAOYSA-N 383.448 2.754 0 40 GFAB biogenic COc1ncccc1NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 64271777 UTAKJTJDKUJTFR-MRXNPFEDSA-N 379.420 2.577 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCN(CC2CC2)CC1 65523056 KUTFUHMWAUJVBN-KRWDZBQOSA-N 376.932 2.904 0 40 GFAB CCOC(=O)c1cccc(NC(=O)[C@H](C(C)C)n2nnc3ccccc3c2=O)c1 5323206 OKIMFSJASCJJLZ-SFHVURJKSA-N 394.431 2.804 0 40 GFAB O=C(NCCC(=O)N1CCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 14170815 HNZXDOQZPDRKMM-HXUWFJFHSA-N 392.455 2.883 0 40 GFAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1CN1C(=O)CNC1=O 14109351 YEPQJXZBDIXTTQ-UHFFFAOYSA-N 381.476 2.685 0 40 GFAB O=c1c2cc(Br)ccc2ncn1C[C@H](O)COc1ccccc1 14185341 LIDKRMDSYCPVGC-ZDUSSCGKSA-N 375.222 2.599 0 40 GFAB COCc1nc([C@@H]2COCCN2C(=O)c2cncc(-c3cccc(C)c3)c2)no1 96001034 HBDFBPZJNSKQCL-SFHVURJKSA-N 394.431 2.800 0 40 GFAB CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)NCC(N)=O)ccc21 4704247 LGBKHNWZJNVZHE-CQSZACIVSA-N 394.475 2.771 0 40 GFAB Cn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCCCCC3)nnc12 6868364 CKUGRNQAMUTAHO-UHFFFAOYSA-N 387.509 2.804 0 40 GFAB COC(=O)c1cc(NC(=O)CCC(=O)c2cccs2)cc(C(=O)OC)c1 15012931 ZKEXPTXGNFKYKP-UHFFFAOYSA-N 375.402 2.923 0 40 GFAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3nccs3)o2)cc1 4943132 NTZDCQFIBDCRQM-UHFFFAOYSA-N 375.435 2.882 0 40 GFAB O=C(CN1CCCS1(=O)=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 84522619 QTOFUEQWDFYPQO-FQEVSTJZSA-N 384.457 2.674 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CCn2nc(O)c3ccccc3c2=O)cc1F 7040960 GYKBRXQDOZVKAZ-GFCCVEGCSA-N 385.395 2.517 0 40 GFAB O=C(CN1CCC[C@@H](C(=O)N2CCCCCC2)C1)N1CCc2ccccc2C1 84581974 HCWVULMNRXTJIQ-OAQYLSRUSA-N 383.536 2.686 0 40 GFAB Cc1c(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)oc2ccc(Br)cc12 84067750 NOBNDDYAUJMUDX-IAQYHMDHSA-N 381.270 2.953 0 40 GFAB CN(C)[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1 16599538 WWODHBPMINMDRC-INIZCTEOSA-N 398.488 2.950 0 40 GFAB C[C@@H](C(=O)Nc1cccc(Br)c1)n1c(=O)[nH]c2ccccc2c1=O 17028653 ADNZBBRCLJCOSY-JTQLQIEISA-N 388.221 2.652 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC[C@H](C)C2)nc1N 71771942 GKXKSOFVSFRFNG-NSHDSACASA-N 396.900 2.790 0 40 GFAB O=C([C@H]1CCCCN1C(=O)CCc1nc(-c2cccs2)no1)N1CCCC1 69982080 PMKVWRZHKMQWLI-CQSZACIVSA-N 388.493 2.734 0 40 GFAB COC(=O)[C@](C)(c1ccccn1)N(C)Cc1nc([C@H](C)OCC(C)C)no1 95459808 DEZAGULIXNNPEJ-LIRRHRJNSA-N 376.457 2.718 0 40 GFAB NC(=O)CN1CCC(N[C@@H](c2ccc(Br)cc2)c2ccco2)CC1 95996243 LQUOOENBGAUICA-SFHVURJKSA-N 392.297 2.671 0 40 GFAB Cn1cc(-c2cnc3c(N4CCN(Cc5cccs5)CC4)nccn23)cn1 306130066 IVONEGSKZVEMGS-UHFFFAOYSA-N 379.493 2.514 0 40 GFAB CC(=O)Nc1cccc(-c2nc(SCC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)n[nH]2)c1 408638858 UCLNJZCVMSKTAB-XEZPLFJOSA-N 385.493 2.827 0 40 GFAB CCc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1 32115046 CUTWIOFUWRIRQH-UHFFFAOYSA-N 399.516 2.978 0 40 GFAB CCCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)CC)CC1 408627951 OQVQWEVKPSYSDI-UHFFFAOYSA-N 376.526 2.748 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 408546613 FWYSNSNFZXQQEQ-HNNXBMFYSA-N 396.534 2.792 0 40 GFAB CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3ccc(F)cc3F)o2)cc1 36659336 CZSBJUBPAHENKI-UHFFFAOYSA-N 393.371 2.594 0 40 GFAB Cc1cccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1C 408733428 IYGMVSNIZWGMOH-QZTJIDSGSA-N 399.450 2.780 0 40 GFAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1 36241241 OIGYWZFCKGTHQZ-ZDUSSCGKSA-N 375.446 2.633 0 40 GFAB C[C@H]1C[C@H](CCNC(=O)NCc2ccccc2S(N)(=O)=O)CC(C)(C)C1 502918388 LPMVGVOALTVNLS-GJZGRUSLSA-N 381.542 2.986 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccccc3F)cn2)cc1 408526886 AAMZHBHXYSKOEN-UHFFFAOYSA-N 386.408 2.977 0 40 GFAB O=C1CCCCCN1CC(=O)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 72375610 GQISAVGIBPBMNE-QGZVFWFLSA-N 394.479 2.681 0 40 GFAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 38771855 FDEZJADKBHGYAB-GOSISDBHSA-N 376.478 2.972 0 40 GFAB CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 72346523 CJFNYVWELBPKSN-XWQURZDVSA-N 398.478 2.902 0 40 GFAB C[C@@H](COc1ccccc1)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224386060 MTXXNYIADHZPDI-INIZCTEOSA-N 388.489 2.814 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 225901538 MNZJUSUFFPHZGL-NQIIRXRSSA-N 394.471 2.866 0 40 GFAB CCOc1ccc(CC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 225731036 STDYIKKKTWZFHR-UHFFFAOYSA-N 394.397 2.785 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 47276287 LIIGUASBXGHSEV-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccc3c(c2)OCO3)cs1 40128056 ZTPKRGFIZFZCBL-UHFFFAOYSA-N 399.428 2.884 0 40 GFAB CC1(C)[C@]2(C(=O)NCCN)CC[C@@]1(C)[C@@H](OC(=O)C(Cl)(Cl)Cl)C2 85398706 RFTGQCIGPGBFLY-QCZZGDTMSA-N 385.719 2.560 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1OC 220119948 JBYSGJPVOMASLG-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(F)c1 46699546 KVZFGSPNOPATKV-KXBFYZLASA-N 387.430 2.737 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@@H](O)c2ccsc2)nn1 225582737 YTIRUGZAVSAOOL-GOSISDBHSA-N 381.461 2.527 0 40 GFAB COc1ccccc1N1CC[C@H](NC2CCN(CCC(F)(F)F)CC2)C1=O 272558796 NHZWWAHPBDKTTD-HNNXBMFYSA-N 385.430 2.807 0 40 GFAB O=C(Nc1ccn(CCc2ccncc2)n1)c1cc(N2CCCCC2)ncn1 621814977 XISDYPANKIIKJS-UHFFFAOYSA-N 377.452 2.553 0 40 GFAB COCc1n[nH]c(CNC(=O)N2c3ccccc3C[C@H]2Cc2ccccc2)n1 637267533 FICPGTHSZKPUHM-QGZVFWFLSA-N 377.448 2.835 0 40 GFAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H](C(=O)O)c1ccccc1Br 659192499 XFBORANVPNKHLS-PSLIRLAXSA-N 394.269 2.845 0 40 GFAB Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2CCCc2nnn[nH]2)n1 65469928 BYVYYHINMGIPGH-UHFFFAOYSA-N 376.468 2.752 0 40 GFAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccc2ccccc12 96375641 UVKSGYGDWUQKKF-XYPWUTKMSA-N 379.503 2.569 0 40 GFAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)/C=C/c2ccco2)n1 585291876 GSHKKWKKYJSIPR-DKRLNXSXSA-N 376.420 3.289 0 40 GFAB CC[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cscn4)CC3)cc2NC1=O 72339710 BICDHZJJXYLVDB-INIZCTEOSA-N 399.472 2.988 0 40 GFAB Cc1nnnn1-c1cccc(C(=O)N2CCC[C@H]([C@H](O)c3ccccc3F)C2)c1 72324263 VMFBRZLUPXZFMT-JXFKEZNVSA-N 395.438 2.696 0 40 GFAB COc1ccccc1NC(=O)CSc1ncnc2nc(N(C)C)sc12 35532671 QMXJOQLESJOJLJ-UHFFFAOYSA-N 375.479 2.892 0 40 GFAB Cc1c(Cl)cccc1NC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188836 ZXNVIQBCAADNHR-GFCCVEGCSA-N 393.896 2.946 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 5425824 BPGABISYRXUPAE-INIZCTEOSA-N 376.503 2.904 0 40 GFAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCCc1nc(-c2ccccc2)no1 12198322 BUKIHZPVIQJFQY-BFUOFWGJSA-N 394.406 2.974 0 40 GFAB COCCc1nnc(NC(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)s1 12327396 CLPCSHHQZOPHJC-TXYQZCGRSA-N 399.472 2.726 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC=C(c2ccccc2)CC1 12748497 MOFVOHLUOFMOFE-UHFFFAOYSA-N 376.464 2.572 0 40 GFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccccc1 13572283 TZEDLOLPFSHVQT-LSDHHAIUSA-N 399.541 2.924 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 13669372 QYEBLVNGXURIOD-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccccc2)cc1 13688582 SVXUXXLKDMLLPX-UHFFFAOYSA-N 392.546 2.665 0 40 GFAB CN(Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 14399038 SBHAFVNIBCQSDN-UHFFFAOYSA-N 382.869 2.749 0 40 GFAB CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)c1ccccc1NC 14608441 RXOCTRTUPYDXIX-UHFFFAOYSA-N 394.435 2.750 0 40 GFAB O=C(C1CC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343587 URYFFRUGANFMJG-OAHLLOKOSA-N 398.532 2.506 0 40 GFAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2cnn3cc(C)cnc23)C1 19712288 QJBKEVIJEJHNAV-BEFAXECRSA-N 393.447 2.646 0 40 GFAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N[C@H](C)c3cnn(C)c3C)c2C)c1 19718087 ZEAAJESYURJYSS-GFCCVEGCSA-N 383.452 2.935 0 40 GFAB COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(OC)cc1Cl 11234053 RUAYLLZNSLGAEK-UHFFFAOYSA-N 392.626 2.859 0 40 GFAB Cn1cnc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCCCC[C@@H]32)c1 1848357086 HYEBTTCVZVUKAR-HKUYNNGSSA-N 396.491 2.776 0 40 GFAB COc1cccc(NC(=O)CC[C@H]2N=C3c4ccccc4NC(=S)N3C2=O)c1 2966878 VODNSXHYIMINSL-MRXNPFEDSA-N 394.456 2.782 0 40 GFAB Cc1cc(C)cc(OCC(=O)NCCCn2nc(-c3ccco3)ccc2=O)c1 13802358 XYCPYOZNCAALRY-UHFFFAOYSA-N 381.432 2.705 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)c(F)c2)O1 2055759315 KZHSXEYOWFDRMT-QRVBRYPASA-N 376.403 2.996 0 40 GFAB COc1nc(CNC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCCCC2)n1 575606691 KVLIQQHRUMAINE-UHFFFAOYSA-N 394.838 2.985 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575613866 XECVLSCIOGJDGR-HXUWFJFHSA-N 393.480 2.727 0 40 GFAB Cn1ccc(CN2CCc3nc4ncc(Br)cc4cc3C2)cc1=O 2298070642 DMUBZUZAQODFKW-UHFFFAOYSA-N 385.265 2.649 0 40 GFAB Cc1cc(N2CCN(c3cccc(-n4ccnc4C)n3)CC2)nc(C2CC2)n1 2298071718 ZXUBHCPWPHALFJ-UHFFFAOYSA-N 375.480 2.878 0 40 GFAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 77184982 CHQLZHZMZALQSQ-HNNXBMFYSA-N 388.367 2.609 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792174 XSWAVEVBHYQQRJ-UHFFFAOYSA-N 386.883 2.980 0 40 GFAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc(C(F)(F)F)cc1 40097854 FAJTWPNKUGYJSP-BBRMVZONSA-N 387.402 2.564 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2F)C1 40154411 NHMQADPLAVDDIB-HNNXBMFYSA-N 390.480 2.894 0 40 GFAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1 51319215 MBAZMAJVYIXEAY-UHFFFAOYSA-N 386.456 2.595 0 40 GFAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCCC(=O)N2CCCC2)s1 32721355 ZDGZSJSQQZEWKB-UHFFFAOYSA-N 375.469 2.929 0 40 GFAB CC(C)N1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 102914217 NZKNISABUZBHJE-UHFFFAOYSA-N 383.414 2.998 0 40 GFAB CC(=O)[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)C 704996 HENIHHMPBMXZIF-LLVKDONJSA-N 384.255 2.637 0 40 GFAB O=S(=O)(c1cnccc1Nc1cccc(C(F)(F)F)c1)N1CCOCC1 987791 ICRQWLLPESJOOB-UHFFFAOYSA-N 387.383 2.865 0 40 GFAB O=C(O)[C@@H](c1ccccc1)C1(O)CCC(O)([C@@H](C(=O)O)c2ccccc2)CC1 1734042 WUSODLUXVMKGLC-NFAVZRQZSA-N 384.428 2.759 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1N 2396670 LAZLJIHEKRNVPM-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC 2487056 AZOBMXNQKHNDMY-BZNIZROVSA-N 390.461 2.916 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccccc2N2CCOCC2)cc1 2635199 PDYPCMWIAGXZEX-UHFFFAOYSA-N 397.475 2.679 0 40 GFAB O=C(O[C@@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3314502 AHQMPLLOOQADLV-GOSISDBHSA-N 379.478 2.920 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 3847605 NUKWPDXDMGXCBV-IAGOWNOFSA-N 392.496 2.826 0 40 GFAB biogenic CCc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)n1-n1cccc1 4518520 GPAHTYAKNBUMAA-UHFFFAOYSA-N 387.465 2.701 0 40 GFAB COC(=O)[C@@]1(C(F)(F)F)CC(C)=C(C)CN1S(=O)(=O)c1ccccc1 4594172 DXWBNFRYRMBPHV-OAHLLOKOSA-N 377.384 2.892 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Cl)ccc1O 5215852 NJEBLRGNJYPKRB-NSHDSACASA-N 388.807 2.966 0 40 GFAB N#CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 6269946 QEDIWOKYSVTHND-RVDMUPIBSA-N 388.358 2.970 0 40 GFAB COc1ccc(CC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1OC 6424239 NWOGWPCLXZPXIM-SFHVURJKSA-N 383.444 2.983 0 40 GFAB CCC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 6719582 KEYPYVDUFVLOEQ-IBGZPJMESA-N 395.411 2.871 0 40 GFAB C[C@@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)NCc1ccco1 7374838 VJGBWRHYDWIAEN-GFCCVEGCSA-N 390.823 2.922 0 40 GFAB CCn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)nnc1C1CC1 7618636 MOOMZNOFTXONPX-GFCCVEGCSA-N 388.493 2.916 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 7889240 HOVOXSQIHAVYKJ-UHFFFAOYSA-N 398.528 2.939 0 40 GFAB COC(=O)c1ccccc1/C=C1\N=C(c2ccc(N3CCCC3=O)cc2)OC1=O 7925876 IIITWLPZXRLEBQ-AQTBWJFISA-N 390.395 2.945 0 40 GFAB COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1Cl 8092183 GBBFUWZOUKCCKT-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(F)cc1 8120561 GXAMXGOHAQWVAR-UHFFFAOYSA-N 375.469 2.935 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CCN2C(=O)COc3ccccc32)c1 8356707 IZAJIKFWWRGQND-AWEZNQCLSA-N 384.432 2.697 0 40 GFAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)NCCCCCC(=O)O)cc3)C(=O)[C@H]2C1 8472145 IOVRTTNFMFXQQT-MSOLQXFVSA-N 398.459 2.907 0 40 GFAB O=S(=O)(c1ccc(SCc2ccc3c(c2)OCO3)nc1)N1CCCC1 8704439 BRQDTMZMWWRIAR-UHFFFAOYSA-N 378.475 2.887 0 40 GFAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H]3CCS(=O)(=O)C3)cccc2c1=O 9134064 REVSFBKTPLDTGH-HNNXBMFYSA-N 397.452 2.685 0 40 GFAB CCC(CC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br 9500151 BILNLWQFJINEML-UHFFFAOYSA-N 377.304 2.618 0 40 GFAB CN(CCOc1ccccc1F)S(=O)(=O)CCn1cnc2ccccc21 10517746 XZEIOENSNMGWBB-UHFFFAOYSA-N 377.441 2.516 0 40 GFAB CSc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 10542644 AYVYGWGAGIIWMP-UHFFFAOYSA-N 376.503 2.862 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(OC(F)F)c1 11229064 VJTNGDSNHZGZBW-UHFFFAOYSA-N 382.388 2.981 0 40 GFAB O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 11327914 SJIPKZFCXFAZRC-UHFFFAOYSA-N 386.473 2.587 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n(C(C)C)n1 11695204 GSGITHDMCVBJLE-CQSZACIVSA-N 396.538 2.873 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc2ccccc2c(=O)s1 12203524 LJGTXLBHVYRYCF-UHFFFAOYSA-N 394.452 2.986 0 40 GFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C 12517245 CKHYEZXIIQFDTK-UHFFFAOYSA-N 390.487 2.812 0 40 GFAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1NCCOC 12528383 IXMNDYRLIUGGEZ-HNNXBMFYSA-N 399.557 2.694 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 12793489 XWULCNRJRYFGGM-UHFFFAOYSA-N 386.423 2.652 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)NC3CCCCC3)CC2=O)cc1 12875091 WSZNDVNSAJOCMZ-NVXWUHKLSA-N 386.492 2.983 0 40 GFAB CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12905790 LVBREKUZMAHODE-UHFFFAOYSA-N 380.416 2.912 0 40 GFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCO2 13278732 NUIPNPTWJJIDQU-UHFFFAOYSA-N 383.809 2.919 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccccc2F)cc1 14185934 ICRSJTMYKKYTRR-UHFFFAOYSA-N 381.425 2.702 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)c1cncc(Br)c1 14228306 FOLHMMKOEKKLNE-UHFFFAOYSA-N 382.283 2.684 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C)cc1C)c1ccc2c(c1)OCO2 14400150 DMWAUKHYBKHNMX-UHFFFAOYSA-N 390.461 2.827 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 16094780 NKTCLQKMZFNRIA-UHFFFAOYSA-N 389.429 2.549 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 16624304 PTBQPSWBIDYCLV-OAHLLOKOSA-N 383.448 2.930 0 40 GFAB CCc1nn(CC(=O)Nc2cc(OC)ccc2OC)c(=S)n1-n1cccc1 16807049 LNKVOFUGNIYOEU-UHFFFAOYSA-N 387.465 2.745 0 40 GFAB Cc1cc2ccncc2n1CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1 19127092 MDHXYSILWQXBLY-QIDMFYOTSA-N 376.460 2.938 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)c3ccc(C)cc3)nc2C1 19135385 SXJGBHOQIGSTTM-LJQANCHMSA-N 394.475 2.763 0 40 GFAB CNc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19592384 WFRJJNLEJJMCJF-AWEZNQCLSA-N 382.493 2.710 0 40 GFAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc(OC2CCCC2)cc1 19716027 VSJCFFLVLVLKJA-UHFFFAOYSA-N 377.510 2.879 0 40 GFAB COc1ccccc1N1C(=O)C[C@H](NCCOC23CC4CC(CC(C4)C2)C3)C1=O 19848244 BIHYZGMYJBJLFQ-WMVQRKQLSA-N 398.503 2.902 0 40 GFAB CCN1CCN([C@@H](c2cccc(F)c2)c2sc3nc(C)nn3c2O)CC1 20216014 CHBQSNOZAOAQTM-HNNXBMFYSA-N 375.473 2.671 0 40 GFAB COc1ccc(CN2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1F 22916562 ODIGDZLZXOFLPZ-OAHLLOKOSA-N 396.466 2.950 0 40 GFAB CCc1nc(COC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)cs1 22975780 UURMHLIJABKUEG-UHFFFAOYSA-N 379.507 2.960 0 40 GFAB O=S1(=O)CC[C@H](Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C1 23153702 LOPIXLSLQBYPNE-VIFPVBQESA-N 398.275 2.721 0 40 GFAB Cn1c(=O)n(CCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c2ccccc21 23385789 IBLILBSQDKFISA-QFIPXVFZSA-N 393.487 2.702 0 40 GFAB CC(C)[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc2c(c1)OCCO2 26382939 NOPWPXWAUHQABO-WNYOCNMUSA-N 390.505 2.725 0 40 GFAB COC(=O)Cc1csc(NC(=O)COc2ccccc2Br)n1 27698762 UAGUEWVMMZHYBA-UHFFFAOYSA-N 385.239 2.639 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1OC 27827878 UAJMVNCESCPPCG-CSKARUKUSA-N 398.434 2.841 0 40 GFAB CN(Cc1nc2ccccc2[nH]1)C(=O)CN1C(=O)COc2ccc(Cl)cc21 30659796 VAIRPRYYXPFREZ-UHFFFAOYSA-N 384.823 2.600 0 40 GFAB CC(C)(C)c1noc(CCC(=O)N2CCC(c3nnc4ccccn34)CC2)n1 31227688 QTDIPSWVEHMWEA-UHFFFAOYSA-N 382.468 2.749 0 40 GFAB COc1ccc(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1 31745261 PCFGOOBXIMHGLY-LBPRGKRZSA-N 380.491 2.704 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)cc1 32038141 TZRNVTPRLRZCEZ-UHFFFAOYSA-N 389.459 2.741 0 40 GFAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3snnc3C)s2)o1 32554152 GMJIJECRRLFLBE-UHFFFAOYSA-N 397.463 2.622 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2F)C(C)C)cc1 32819576 PNLRLBNNXUOPAO-GOSISDBHSA-N 392.452 2.970 0 40 GFAB COc1cccc(-c2nc(CC(=O)N3CCC(C(=O)O)CC3)cs2)c1OC 36359874 SVTXKYRDUPRYAO-UHFFFAOYSA-N 390.461 2.693 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 36384027 QSPMCUAHRDTWIQ-BQFCYCMXSA-N 395.521 2.785 0 40 GFAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 36395155 XFPVDSLSAGUUEU-YOEHRIQHSA-N 397.441 2.512 0 40 GFAB CC(=O)N1CCN(C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 36697252 HSJDWYCYNKFGJC-MDZDMXLPSA-N 380.492 2.561 0 40 GFAB CC1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 38754070 JBBMYKWUWJUUFQ-UHFFFAOYSA-N 387.933 2.563 0 40 GFAB COc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCC2)ccc1OC(F)F 40106106 DRRKWCWHSKXPGG-NSHDSACASA-N 391.436 2.659 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(C)c2)c1=O 40478535 MFNJUWMPWTZKMO-UHFFFAOYSA-N 379.460 2.935 0 40 GFAB CCc1ccc(-c2noc(CN3Cc4ccccc4C[C@H]3C(=O)NC)n2)cc1 45737072 HFRXBMNNNLAYPP-IBGZPJMESA-N 376.460 2.972 0 40 GFAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1c(Cl)cccc1Cl 48345685 IPWWKHYJTAHHNY-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB CC(C)C[C@@H]1N[C@H](C(=O)NCCCN2CCCC2=O)Cc2c[nH]c3cccc1c23 49171372 FSRDOZILCJWBGZ-PMACEKPBSA-N 396.535 2.898 0 40 GFAB biogenic,in-vitro CCCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](c2nc(C)no2)C1 54661741 UZXNECFYZPCSQC-AWEZNQCLSA-N 377.466 2.582 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 57485886 XKMUOBGJWJAZIS-UHFFFAOYSA-N 379.388 2.552 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 58132235 CPKIFEFGQXVWGK-OAHLLOKOSA-N 383.452 2.698 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C[C@](C)(O)c2ccccc2)CC1 58196499 ZFUHLEUDHQQQSU-QHCPKHFHSA-N 381.520 2.713 0 40 GFAB COc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988523 CLZLGDGDJNPKKS-GOSISDBHSA-N 390.461 2.559 0 40 GFAB C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1cccc(N2CCCC2=O)c1 68654873 UKINZOFKFOTYNG-MRXNPFEDSA-N 393.491 2.697 0 40 GFAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@H](c2ccnn2C)C1 71808724 XNLHAZHXYUFTLF-GJZGRUSLSA-N 378.484 2.872 0 40 GFAB COc1cc(C(=O)NCC2(O)CCN(C)CC2)cc(Cl)c1OCC(C)C 72306590 QNIOOCMERMVLHP-UHFFFAOYSA-N 384.904 2.570 0 40 GFAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 72306672 MNBLGCCKAVSBDD-HXUWFJFHSA-N 398.488 2.569 0 40 GFAB O=C1CO[C@H](c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[C@@H](CO)N1 72321069 KBCHKZWQICTIJX-NVXWUHKLSA-N 394.349 2.506 0 40 GFAB biogenic,in-vitro C[C@H]1CCCCN1CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 72341143 FVTYKMBURSYQQQ-MGPUTAFESA-N 393.491 2.773 0 40 GFAB O=C(NCC[C@@H](O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77115690 JFNIDCIMWILHSJ-GFCCVEGCSA-N 388.367 2.825 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H]2c3cc(F)ccc3CCN2C(=O)OC)cc1 77200040 NEJJZPBXVKFLEX-QGZVFWFLSA-N 386.379 2.917 0 40 GFAB COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cccn2)c(F)c1 78976223 BVCUFMREIMYWNH-KRWDZBQOSA-N 381.407 2.916 0 40 GFAB O=C(CSCc1ccccc1)N1CCCSC[C@H]1CN1CCOCC1 90609097 ZWXQVINHBGLJTK-GOSISDBHSA-N 380.579 2.586 0 40 GFAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccncc3F)n2)cc1 95961059 MZBOTURZCGFWLU-UHFFFAOYSA-N 392.437 2.968 0 40 GFAB COc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)cc1 96060774 NWQRUIXJJDQAFK-QGZVFWFLSA-N 379.464 2.535 0 40 GFAB COc1ccc(CN2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)cc1 96260336 HWTNTIFUSGPMSM-UHFFFAOYSA-N 396.535 2.895 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1C 96308952 GCFGHGCBNPUAFO-OAQYLSRUSA-N 377.488 2.753 0 40 GFAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCNC(=O)c2ccccc2Cl)CCC[C@H]1C 102201308 DSNVTXLYYVJOMB-KEYYUXOJSA-N 394.899 2.944 0 40 GFAB COc1cccc2cc(C(=O)N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)oc12 103447931 DQEPIQSDOHKXLV-HNNXBMFYSA-N 399.491 2.647 0 40 GFAB Cc1ccsc1[C@@H](O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 206698701 XSOGDRCMFJJOSB-NSHDSACASA-N 375.418 2.516 0 40 GFAB CCOc1ccccc1S(=O)(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217667029 GPZAQIHBVBVUCJ-KRWDZBQOSA-N 398.488 2.980 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218481877 OPRHAAALUFSPQH-AOIWGVFYSA-N 393.892 2.849 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223196182 HWZVIJRWPCQYJZ-KRWDZBQOSA-N 388.439 2.767 0 40 GFAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 223296743 PRGNJLJXBGGJRX-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224842319 PZBCXZXUOZLVOY-UHFFFAOYSA-N 397.836 2.723 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257203118 AOTGLCVCPSWMTH-INIZCTEOSA-N 390.440 2.664 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCn2nccc2C)[C@@H]1c1cccc(Cl)c1 257297769 RISQDNRIGJKJMU-MJGOQNOKSA-N 388.899 2.961 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 306126741 FDULWWGQZVCOBF-CABCVRRESA-N 381.411 2.567 0 40 GFAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccccc1F 320161424 LBTWSCSGEWQOFJ-UHFFFAOYSA-N 377.169 2.756 0 40 GFAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(Cc3ccccc3)C[C@H]21 514290368 YVZFNYWGBLEJTF-IRLDBZIGSA-N 388.471 2.805 0 40 GFAB biogenic,in-vitro O=C(NCCn1c2ccccc2c2ccccc21)N1CCOC[C@@H]1c1nc[nH]n1 560513586 POVKTQCHNUCZDZ-LJQANCHMSA-N 390.447 2.696 0 40 GFAB CC(=O)N1CCCN(C[C@H]2CCCN(c3nc(-c4ccccc4)ns3)C2)CC1 562701853 CLSPRCWQHQBZOT-GOSISDBHSA-N 399.564 2.976 0 40 GFAB Cc1nc(Cn2cc(C(=O)NCCc3c(C)cc(C(C)(C)C)cc3C)nn2)no1 572431430 CVBRCIJRRYGLNP-UHFFFAOYSA-N 396.495 2.905 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1cccc(C)n1 575402332 AQWDGOPMJSRWGJ-KRWDZBQOSA-N 382.526 2.518 0 40 GFAB CS(=O)(=O)c1nc(C(=O)N2CCc3cc(Cl)ccc32)c2ccccn12 585082416 PXOAIBJVFUPUCL-UHFFFAOYSA-N 375.837 2.594 0 40 GFAB Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 585100869 ZSRKEPCQBPPCEP-HXUWFJFHSA-N 392.569 2.632 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)n1 585147263 LAZJZJMFXWPLQE-LJQANCHMSA-N 377.448 2.963 0 40 GFAB C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)C1 623194542 HXYNEUUPOUQROT-SMDDNHRTSA-N 375.436 2.991 0 40 GFAB Cc1cccc(-c2nsc(N3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)n2)c1 631350614 FCAMWOFRUMXEBN-RYUDHWBXSA-N 391.440 2.925 0 40 GFAB O=C(c1cnc2nc(O)nc(O)c2c1)N1CCC2(CCc3ccccc3C2)CC1 652526584 HSSNISMVXHSBQY-UHFFFAOYSA-N 390.443 2.847 0 40 GFAB Nc1ncnc2cc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc12 667404403 AUFLTNIKMHCAGF-UHFFFAOYSA-N 381.480 2.513 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161475 YOTSAMZRYYEHTA-JOCHJYFZSA-N 382.435 2.793 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)cc1OC 932322 TUUIBRYFHQCATD-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CSc1nccn1-c1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 78998547 FKVUSURZTDKAJQ-SFHVURJKSA-N 376.551 2.761 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3CC)c(=O)c2=O)cc1 22724943 XEMBVYCWPSVWPU-UHFFFAOYSA-N 393.443 2.599 0 40 GFAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NCC3CCCCC3)n2N)cc1 6100649 USRCNCAJTSAQBY-CYBMUJFWSA-N 389.525 2.845 0 40 GFAB C[C@@H]1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 23394460 RCVYPXOEXRPVGP-GFCCVEGCSA-N 378.270 2.808 0 40 GFAB Brc1cc2c(cc1CN1CCN(c3ccccn3)CC1)OCCO2 23732404 QAUHMADQILFABW-UHFFFAOYSA-N 390.281 2.938 0 40 GFAB COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)cc2oc(=O)c(Cl)c(C)c12 3183107 ACTSPIHLGHIAGG-ZJUUUORDSA-N 398.795 2.635 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 8410816 GZFKIPSEMHOFDK-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H](N(CC)CC)C2)c1 106920723 LGKGMYWJUMNVGA-YLJYHZDGSA-N 388.556 2.912 0 40 GFAB CS[C@H](C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 58014547 LNAQHMKRKUUWCC-CYBMUJFWSA-N 396.509 2.672 0 40 GFAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 3208364 IGTJMMDAFLQIPX-UHFFFAOYSA-N 392.502 2.990 0 40 GFAB COCCN1C(=O)[C@H](Oc2cccc(OC)c2)[C@H]1c1ccc(OC)c(OC)c1 58155030 ZSSVKVDGDCABAU-WOJBJXKFSA-N 387.432 2.690 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 28209484 LHQXQUAAVAKWOI-SFHVURJKSA-N 386.473 2.930 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)c2ccccc2)cc1 58326939 TUXBVWSTUIYYKU-SFHVURJKSA-N 391.493 2.571 0 40 GFAB Cn1nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc2c1=O 27998115 DOKFWYQCGSVJLZ-UHFFFAOYSA-N 387.443 2.830 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cccnc1OCc1ccccc1)CS2 48231788 PWUZVOMCFSQLBL-UWJYYQICSA-N 397.500 2.731 0 40 GFAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)NC3CCCC3)cc2)o1 36354853 NSINQXMOSDZKIM-UHFFFAOYSA-N 392.477 2.781 0 40 GFAB Cc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC(C)(C)OC3 2373163 NVRUEKMFGRBVSO-UHFFFAOYSA-N 384.461 2.651 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1 58902533 ISVVPOBBTIXSRA-FQEVSTJZSA-N 397.500 2.561 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(O)c1 12746045 GHIWOLLMZBRLJO-UHFFFAOYSA-N 397.427 2.907 0 40 GFAB CC[C@H](C)c1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 12798651 GYBOBNCNJNKKOL-HNNXBMFYSA-N 398.507 3.000 0 40 GFAB CC(C)CCNC(=O)COC(=O)c1ccccc1I 3391287 ZBKPSXITZXEUGZ-UHFFFAOYSA-N 375.206 2.610 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1ccc(C)s1 12852919 JACGRGSWFQLXHJ-UHFFFAOYSA-N 395.431 2.552 0 40 GFAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 3555590 HIOGDCHGNJTGDR-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB COc1ccccc1OCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3608190 JVOQYTICCDXZNU-UHFFFAOYSA-N 392.458 2.726 0 40 GFAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cnc2sccn2c1=O 28234065 ZJLNTACCADVKBX-UHFFFAOYSA-N 385.836 2.907 0 40 GFAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 13073511 HZXSMKFJXXFQFG-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CC[C@@H]1CCCCN1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261649 HCEVYNYCFZPWNE-OAHLLOKOSA-N 397.566 2.749 0 40 GFAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSC[C@@H](O)c3ccccc3)n21 65489791 NEXZRNMDMGDLKI-QGZVFWFLSA-N 380.473 2.856 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 14183157 DBUMRWWLXIVGSM-IRXDYDNUSA-N 378.538 2.900 0 40 GFAB CCOc1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 9236638 PGFHESSZQFBTBQ-UHFFFAOYSA-N 394.836 2.522 0 40 GFAB CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCN(C2CCCCC2)CC1 22584594 DYPHMVSEMUELLT-IBGZPJMESA-N 383.544 2.863 0 40 GFAB COc1cc(CC(=O)OCC(=O)N(C)C2CCCCC2)cc(OC)c1OC 6611918 GUCDAHJVFBBHGM-UHFFFAOYSA-N 379.453 2.589 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1cccnc1Cl 5679233 FLHAJCGSJDKNCM-QGZVFWFLSA-N 390.852 2.519 0 40 GFAB O=S(=O)(Cc1nnnn1-c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 6760160 UQBGHTUSSWJNDY-UHFFFAOYSA-N 386.330 2.794 0 40 GFAB COc1ccc(C(=O)COC(=O)c2cncc(Br)c2)cc1OC 6916318 WCKGMLDSJQPGHF-UHFFFAOYSA-N 380.194 2.901 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1 8087064 DCRJSUDZXMIVRS-UHFFFAOYSA-N 388.489 2.726 0 40 GFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(=O)n(Cc2ccccc2)n1 9501802 ZCMSNEMTDIPYAB-UHFFFAOYSA-N 388.427 2.671 0 40 GFAB CCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1 408550152 AKUSQMYPKDJYDF-AWEZNQCLSA-N 376.478 2.872 0 40 GFAB O=S(=O)(c1ccccc1N1CCC[C@H](CN2CCOCC2)C1)C(F)(F)F 69797757 WNTSREVPBMWCPZ-CQSZACIVSA-N 392.443 2.529 0 40 GFAB Cc1cc(C(=O)N2Cc3cn(Cc4cccnc4)nc3-c3ccn(C)c3C2)no1 306142657 XFQCWPVBXSZQPQ-UHFFFAOYSA-N 388.431 2.784 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H](C)C3)nnc12 8747139 CCEXTDFEXKMDNK-CQSZACIVSA-N 399.520 2.805 0 40 GFAB Cc1cccc(C)c1-n1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1 9724979 YFCBJHAAPKQYJF-UHFFFAOYSA-N 392.370 2.887 0 40 GFAB CCc1cc(O)cc(O)c1C(=O)c1c(O)cccc1Cc1cc(=O)cc(O)o1 3850723 GHSGLMBXEQBYKS-UHFFFAOYSA-N 382.368 2.846 0 40 GFAB biogenic Cc1cc(Nc2ccccn2)nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 72360015 WIDOJXGCHLDAHM-OAHLLOKOSA-N 375.436 2.733 0 40 GFAB O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2c(n1)CCCC2 533087448 LPYNFJWPOKLVID-IBGZPJMESA-N 377.488 2.924 0 40 GFAB CCOC(=O)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c(C)c(C)sc21 32094866 COPLHMKNDULQGE-UHFFFAOYSA-N 382.445 2.953 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3)n2)c(OC)c1 219492124 XDSCUSRDSSWOMJ-ZDUSSCGKSA-N 383.404 2.838 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3cncc(-n4ccnc4C)n3)C2)cc1 72355318 PPVMOGQYCORUNR-SFHVURJKSA-N 391.475 2.928 0 40 GFAB COc1ccc(Br)c(C(=O)NCCn2ccn3nc(C)cc23)c1 225578414 HZZIMMJQJBLFGE-UHFFFAOYSA-N 377.242 2.645 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 223079487 IWCBKYVNXUMKDF-MRXNPFEDSA-N 390.505 2.973 0 40 GFAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 225668934 JBASNEPZKCUYEC-RYUDHWBXSA-N 391.415 2.782 0 40 GFAB Cc1cc(NC(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)nn1-c1ccccc1 572194276 WDFWSKCDZSMHFX-WMZOPIPTSA-N 382.489 3.482 0 40 GFAB COc1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)cc1 49411210 NMZUQXGARSJAKY-UHFFFAOYSA-N 378.436 2.914 0 40 GFAB Fc1ccc(N2CCN(c3nnnc4c3cnn4-c3ccccc3)CC2)cc1 49029794 ZXFQIXFGOYXHPB-UHFFFAOYSA-N 375.411 2.676 0 40 GFAB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220635515 AVIUHLAIGQRKPB-LJQANCHMSA-N 390.505 2.898 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1F 223774505 KGEFMMBTRFURJY-UHFFFAOYSA-N 377.397 2.705 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1C[C@H]2C(=O)Nc3ccccc3N2C1 225629107 UMYQNYSOUKLMFK-LRDDRELGSA-N 391.880 2.526 0 40 GFAB COc1ccc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)oc2c1 85879008 HQXUKSDVAQHLDV-ZBFHGGJFSA-N 378.428 2.583 0 40 GFAB biogenic COC(=O)c1nc(Cl)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl 91293261 NLPKBGWQIBTKEO-UHFFFAOYSA-N 391.255 2.627 0 40 GFAB O=C1CO[C@@]2(COCCN(Cc3ccsc3)C2)CN1c1ccc(F)cc1 96051298 CBHVOWKTBCYPQJ-LJQANCHMSA-N 376.453 2.522 0 40 GFAB CN(C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccc(Br)s1 90608985 AOSBCRAPJXCCOV-SNVBAGLBSA-N 399.401 2.568 0 40 GFAB CC(=O)N1CCC(NC[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)CC1 96269355 RFIMOWSXPWDJCE-SFHVURJKSA-N 388.899 2.703 0 40 GFAB biogenic,in-vitro COc1ccc(-c2nn(CCCC(=O)N3CCC[C@H](C)C3)c(=O)cc2OC)cc1 96100927 SPAJFNQQGZZZGI-INIZCTEOSA-N 399.491 2.966 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCNC[C@H]1c1cccc(Cl)c1 585088561 SFJXQSOISSJMOI-HNNXBMFYSA-N 399.800 2.694 0 40 GFAB CCNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1OCC1CC1 585081090 KJIDMQDXVSYFAZ-INIZCTEOSA-N 398.500 2.684 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(C)=O 257328151 XEJPCCSJPVFAFY-QRXQEZHUSA-N 386.492 2.773 0 40 GFAB COC[C@@]1(C(=O)O)CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)C1 635514448 JAYWDSPUAVDFBJ-OAHLLOKOSA-N 376.787 2.565 0 40 GFAB O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1cncc(C(F)(F)F)c1 648509438 MHWPOPKRRAMUOA-KRWDZBQOSA-N 389.377 2.946 0 40 GFAB Cc1nn(CCO[C@H]2CC2(F)F)c(C)c1S(=O)(=O)N1CCc2ccccc21 663942466 QBGIXTJJMPDVDB-INIZCTEOSA-N 397.447 2.676 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCc3cc(F)ccc32)c1 666036735 STGVLAGWFXMYIP-IBGZPJMESA-N 390.480 2.859 0 40 GFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccs1)CC2)c1ccoc1 96024339 CXHOJKNORRSPGI-UHFFFAOYSA-N 395.487 2.797 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 585105415 WHDUDZLSWJHYIW-SFHVURJKSA-N 379.497 2.898 0 40 GFAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 664721553 SJWGHWLSOYHWDC-YSIASYRMSA-N 395.413 2.742 0 40 GFAB C[C@@H]1CN(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)CC(C)(C)O1 84705716 SBGSIBXQKSQFLU-GFCCVEGCSA-N 387.402 2.644 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615121097 MVHOBHABNUMDBK-UHFFFAOYSA-N 386.471 2.574 0 40 GFAB O=C(NCc1c(F)cccc1Cl)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000167 BSTSFMYMNVHQLV-SUMWQHHRSA-N 391.830 2.763 0 40 GFAB CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 14608263 OYNKSNIHVVBHAV-UHFFFAOYSA-N 388.493 2.831 0 40 GFAB COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@H]1C3 15219779 DBEYVIGIPJSTOR-GBESFXJTSA-N 379.460 2.942 0 40 GFAB biogenic,in-vitro C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 16400595 QVGQNSHEDJFBRQ-MRXNPFEDSA-N 381.310 2.704 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@H](c4ccccc4)C3)n2)o1 19216733 RGEGNVQOJWFTBW-KRWDZBQOSA-N 392.459 2.800 0 40 GFAB O=C(NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21)c1ccccn1 19400353 XZHDSYHSACHNRW-UHFFFAOYSA-N 379.313 2.984 0 40 GFAB CCc1noc(C)c1C(=O)N1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 19521252 CFKGDAPHNPJTRE-SFHVURJKSA-N 397.479 2.607 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)nc2c1CCC(=O)N2C 19696318 RXVQYYHIFQBAPY-QGZVFWFLSA-N 378.476 2.643 0 40 GFAB CCN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(C)c1 19929717 DNFBIKAUYXDYCB-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB Cc1nc(C)n(CCC(=O)N2CCC(c3nc4ccc(F)cc4cc3N)CC2)n1 12087997 SWOGBGPPGPNNJU-UHFFFAOYSA-N 396.470 2.961 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(O)(Cn2ccnc2C)CC1 12143505 FIOYSVNHKGHQIP-QGZVFWFLSA-N 375.444 2.542 0 40 GFAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 5677656 CDTDMTCQWQYQQN-SNVBAGLBSA-N 385.424 2.829 0 40 GFAB Cn1cccc1C(=O)NC(=O)CSc1nnc(NCc2ccccc2)s1 6029517 YQEOSPWISDFXSG-UHFFFAOYSA-N 387.490 2.537 0 40 GFAB COc1cccc(NC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1 1888904071 KFSRASQITFAPHO-IYBDPMFKSA-N 393.491 2.882 0 40 GFAB O=C(c1nc2c(s1)CCN(C(=O)C1CC(F)(F)C1)CC2)N1CCCCC1 1565551704 VHDBRAONIOVMCZ-UHFFFAOYSA-N 383.464 2.742 0 40 GFAB O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)c1ccc[nH]c1=O 12422935 PYISUPJITKALGQ-UHFFFAOYSA-N 394.456 2.606 0 40 GFAB CCOC(=O)c1c(NC(=O)CCN2CCN(CC)CC2)sc2c1CCCC2 21487216 GSHKVDUXXLVHLJ-UHFFFAOYSA-N 393.553 2.770 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225636944 BEOBPCQHYPLREI-GOSISDBHSA-N 377.400 2.547 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225679367 BYJDKOAUKATBFI-MRXNPFEDSA-N 391.493 2.988 0 40 GFAB COC(=O)c1cn(Cc2ccccc2C)nc1S(=O)(=O)N(C)c1ccccc1 49402281 URHAXDVOBCIAEP-UHFFFAOYSA-N 399.472 2.852 0 40 GFAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575612763 MNUVRQCBMPCFQJ-KRWDZBQOSA-N 383.839 2.668 0 40 GFAB O=C(c1cncc(O)c1)N1CCc2nc3ncc(Br)cc3cc2C1 2298137268 MVGYNBIFYGQLSD-UHFFFAOYSA-N 385.221 2.691 0 40 GFAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)o1 5075877 PMACSOMCNCJTMD-UHFFFAOYSA-N 385.239 2.834 0 40 GFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1ccccc1 8940755 GLIUIZWHNUOOGD-UHFFFAOYSA-N 384.509 2.729 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c1 19079284 RLWPNOPZVHVDIG-MGPUTAFESA-N 396.491 2.652 0 40 GFAB Cc1ccc(CN(C)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c(C)c1 40068997 NIYLJIHJCVQZOJ-UHFFFAOYSA-N 386.496 2.700 0 40 GFAB CC(C)Cn1nnnc1SCC(=O)N(C)Cc1ccccc1Br 30397467 IOQQHOKRBLBCEX-UHFFFAOYSA-N 398.330 2.842 0 40 GFAB CC(C)[C@H](C(=O)N1CC(=O)Nc2ccccc21)n1nnc(-c2cccc(F)c2)n1 31736797 RUAHZAWKRMSCIG-GOSISDBHSA-N 394.410 2.662 0 40 GFAB CCOc1ccc(-n2nc(CO)c(C(=O)NCc3ccc(CC)cc3)n2)cc1 21172976 WHNSYFRAOMECAV-UHFFFAOYSA-N 380.448 2.651 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102127732 SHWWPUWRBVFRNI-GASCZTMLSA-N 396.443 2.768 0 40 GFAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cccc2nsnc12 102367501 KVQVSOPYAJKFRV-TYGXQLQZSA-N 387.461 2.504 0 40 GFAB Cc1ccnc2nc(C(=O)OCC(=O)N3CC[C@H](C)Sc4ccccc43)nn12 32876728 AFGCQGUFHDJGOA-ZDUSSCGKSA-N 397.460 2.507 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 32862485 HIDYIVMXAITLRJ-UHFFFAOYSA-N 391.537 2.740 0 40 GFAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)c1 32916625 YVVTXEPRIGHLTA-UHFFFAOYSA-N 399.516 2.781 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 687765 YLMXZNFAKGFZAS-UHFFFAOYSA-N 396.896 2.791 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1C 791307 ARODMHBJKOHFNU-UHFFFAOYSA-N 383.473 2.601 0 40 GFAB NC(=O)c1c(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)sc2c1CCCC2 815014 DYSKJQLXNUEJMH-AWEZNQCLSA-N 385.445 2.563 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)cc3)C2)cc1OC 1305929 DBYXJODOKLWYFG-INIZCTEOSA-N 378.425 2.954 0 40 GFAB CC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3C2)cc1 2263145 GRNBBEKASOWKPT-ZDLGFXPLSA-N 397.887 2.649 0 40 GFAB CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 2901421 UUZKYVYULLXCBA-UHFFFAOYSA-N 376.478 2.759 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3c(F)cccc3F)cc12 4032784 UBTJEPJDBCKOTG-UHFFFAOYSA-N 388.370 2.796 0 40 GFAB O=C(CCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1 4092920 RMWPNBFRXLQGHF-UHFFFAOYSA-N 386.496 2.630 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccccc2)n(C)c1=O 4249304 QRLRDPYFXGAMMJ-MRXNPFEDSA-N 395.507 2.599 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)N3[C@@H](C)CCC[C@H]3C)CC2)cc1 4909481 WNLKBBDUDXBGOM-CALCHBBNSA-N 387.524 2.679 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc(C)cs1)n2CC 5109484 OKNKUXBQYVHCGC-UHFFFAOYSA-N 379.511 2.764 0 40 GFAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NC[C@@H]2CCCO2)n1 6009398 PFEMKPJEXSWGEA-NSHDSACASA-N 382.873 2.521 0 40 GFAB Cc1ccc(C)c(OCC(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 7160022 RDDMNQGNHCUIDM-INIZCTEOSA-N 396.443 2.989 0 40 GFAB CCCn1nnnc1NCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7263412 GARKSUYPFBCOGN-UHFFFAOYSA-N 399.407 2.528 0 40 GFAB CCOC(=O)CSCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 7450002 JAAPRXCYAURRHY-JTQLQIEISA-N 385.507 2.894 0 40 GFAB COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N(C)C)c1ccccc1 7584637 HQDPJMSBPPELOF-KRWDZBQOSA-N 383.477 2.901 0 40 GFAB CCC(=O)N(c1nnc(SCc2cc(=O)n3ccsc3n2)s1)C1CC1 7672963 ULNUNOQBAOHDCQ-UHFFFAOYSA-N 393.519 2.805 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1 7694588 WZULWZNPVKHQLF-UHFFFAOYSA-N 386.423 2.765 0 40 GFAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 8764757 PKKILSOFPUPLQF-KRWDZBQOSA-N 397.431 2.543 0 40 GFAB biogenic CCOC(=O)Cc1csc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 10421332 HKZXIZKURDXYGY-UHFFFAOYSA-N 396.852 2.855 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1Cl 10541684 CVPWGLYNQSPWKQ-OLZOCXBDSA-N 388.917 2.762 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c1 12146631 DQPCCZGAJOAEMU-UHFFFAOYSA-N 398.419 2.522 0 40 GFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)CC3)cc2N1 12182557 CBSIXQBWERDKFU-GXTWGEPZSA-N 394.463 2.966 0 40 GFAB CSc1nc(C)c(CC(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)c(=O)[nH]1 12201230 SXNWICMKTXOOCV-LBPRGKRZSA-N 399.476 2.579 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3Cl)ccc21 12805546 URSJTZJZGFQWIX-UHFFFAOYSA-N 378.881 2.982 0 40 GFAB CCC[C@H](NC(=O)[C@H](C)Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 12916448 PMUMEMRGPZLPCF-XIRDDKMYSA-N 389.525 2.990 0 40 GFAB CN(CC(=O)NC(C)(C)C)C(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12924948 BKWMSBKAHMDOSO-BQYQJAHWSA-N 393.538 2.502 0 40 GFAB O=c1[nH]c(Cn2nc(-c3ccc(F)cc3)oc2=O)nc2sc3c(c12)CCCC3 12925799 MGZNPTMFURWMCQ-UHFFFAOYSA-N 398.419 2.868 0 40 GFAB O=S1(=O)CC[C@H](Nc2ncc(-c3ccsc3)c(-c3nccs3)n2)C1 13268371 BWJPERKWFBAXFC-NSHDSACASA-N 378.504 2.928 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C[C@@H](C)O1 14121589 UXBMHCRFOPFONZ-MJBXVCDLSA-N 391.537 2.737 0 40 GFAB CCOC(=O)c1sc(NC(=O)CN(C)C)c(C(=O)Nc2ccccc2)c1C 14152891 ZTBRJTDSSVUNPF-UHFFFAOYSA-N 389.477 2.986 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCc2ccccc2C1 15627438 LQYTXBDLQHPDPF-UHFFFAOYSA-N 398.528 2.989 0 40 GFAB CCCCC(=O)NC(=S)Nc1ccc(I)c(C)n1 17077135 PPWSLFRMTNMOSS-UHFFFAOYSA-N 377.251 2.998 0 40 GFAB COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc(Br)c1O 18156211 BGJJFKOKUTYQPH-CQSZACIVSA-N 388.225 2.609 0 40 GFAB COc1cccc(OC)c1CN1CCc2c(O)nc(-c3cnc(C)cn3)nc2C1 19239045 ZVKMBRWHPIPMGZ-UHFFFAOYSA-N 393.447 2.523 0 40 GFAB NCCn1nc([C@@H]2CCN(C(=O)c3csc4c3CCCC4)C2)c2cccnc21 19346704 KXEFCBKDNBQFKY-CQSZACIVSA-N 395.532 2.960 0 40 GFAB CCn1cc([C@@H](O)CN2CCC(O)(Cn3ccnc3C)CC2)c2ccccc21 19524753 IDOHZAMKJIGAGX-NRFANRHFSA-N 382.508 2.727 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3sc(C)nc3C)ncc2C1 19560132 UTCYGTOKEPMWDA-QGZVFWFLSA-N 399.520 2.822 0 40 GFAB COc1ccc(C(=O)N2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)s1 19561990 WAVMXWVCPAEUNV-KGLIPLIRSA-N 381.461 2.670 0 40 GFAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H]1c1nnc2n1CCNCC2 19710622 TXGIHMWLTJQOHX-MRXNPFEDSA-N 384.871 2.536 0 40 GFAB CC(=O)c1cccc(OS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 23148428 KQVWZKGIYNGSGF-UHFFFAOYSA-N 388.850 2.714 0 40 GFAB COc1ccc(F)cc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 23455246 IZCIGPCOXNSENA-UHFFFAOYSA-N 394.468 2.592 0 40 GFAB Cc1nc(C)c(CCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c(=O)[nH]1 26003223 KPUIGZVYDNLFKE-UHFFFAOYSA-N 392.839 2.877 0 40 GFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1c(F)c(F)c(F)c(F)c1F 27556964 BNLJMLUYOAMKNJ-ZETCQYMHSA-N 392.349 2.981 0 40 GFAB COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)c1 28466951 FBIWEBDTUSGSDW-MPGHIAIKSA-N 394.349 2.799 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 29603482 AWFVMBDKIZBUQS-ZDUSSCGKSA-N 381.432 2.600 0 40 GFAB CCNC(=O)COc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 30852224 GYJPBZJXYNFGLS-UHFFFAOYSA-N 379.416 2.813 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCC1(c2ccccc2)CC1 32872019 ODJVTZVMMVDDQO-UHFFFAOYSA-N 392.908 2.856 0 40 GFAB C[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1)c1ccccc1 35378014 MGRDRDCNWXUTTI-VGSWGCGISA-N 391.515 2.817 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SCC(N)=O 36393177 GUHOIVISDOPUQD-UHFFFAOYSA-N 394.500 2.997 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 36397005 RLEJPETWTLKCFF-IYBDPMFKSA-N 379.932 2.944 0 40 GFAB O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc2nsnc2c1 38486354 URVBDUUHEWULJO-UHFFFAOYSA-N 377.429 2.957 0 40 GFAB COc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)cc(Cl)c1OCC(N)=O 40043104 KWEPOYHHCLWWMG-OAHLLOKOSA-N 389.839 2.585 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 40062905 GVMIQQVNEAUTAY-LPHOPBHVSA-N 375.488 2.669 0 40 GFAB COC(=O)CNC(=O)Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 44586523 NZGAJYCJBVVGLX-UHFFFAOYSA-N 390.439 2.853 0 40 GFAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)Cn1cccn1 47420734 UMNVERFDGYYMPR-ZIAGYGMSSA-N 394.397 2.707 0 40 GFAB C[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 48309301 XLKJITXBUFJLQH-CYBMUJFWSA-N 380.432 2.986 0 40 GFAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 50475218 VXQDQWANJXEYLA-MRXNPFEDSA-N 391.537 2.568 0 40 GFAB O=C(COC(=O)[C@H]1CCCCN1C(=O)c1ccco1)NC1CCCCCC1 52388783 SXOHWEFWDHVGJG-MRXNPFEDSA-N 376.453 2.657 0 40 GFAB COc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1OC 57331971 ZUIQUNOHOKJJMN-UHFFFAOYSA-N 375.856 2.902 0 40 GFAB Cc1cc(NC(=O)c2cccc(Br)c2)n([C@H]2CCS(=O)(=O)C2)n1 57682849 AAHPKLLLXCMBSJ-ZDUSSCGKSA-N 398.282 2.566 0 40 GFAB CC(C)N(Cc1ccccn1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 58281691 CIEMTDLIUOXFCK-BQFCYCMXSA-N 376.526 2.544 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCCC(=O)N1CCCCCC1 58357880 BVURCCCAASSCOI-UHFFFAOYSA-N 394.899 2.953 0 40 GFAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@@H](CN2CCOCC2)C1 69744912 GLUQACHRVYXCIR-INIZCTEOSA-N 388.899 2.710 0 40 GFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(OCC(=O)N2CCCC2)cc1 71285004 UBEQVWLHMHSCLX-UHFFFAOYSA-N 382.416 2.567 0 40 GFAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 72081401 LOQSBGCUEROYPI-GFCCVEGCSA-N 379.400 2.544 0 40 GFAB CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1ccc(F)cc1 72242230 DQBXAFUCDVOAHI-DYESRHJHSA-N 399.441 2.833 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 72313007 OUIPBDIWHGDJAO-UHFFFAOYSA-N 396.387 2.517 0 40 GFAB Cc1csc(C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c1 77196272 PLZLCQAVLCWOLX-UHFFFAOYSA-N 385.474 2.754 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccn(-c2cccc(Br)c2)n1 78606138 YACKLTORZURCJU-HNNXBMFYSA-N 394.269 2.952 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)C[C@H]1C(=O)N(C)Cc1ccccc1 79067237 VIHHPJMCBZITOL-OYRHEFFESA-N 378.472 2.899 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 85420810 PWNRLDPQVXUNFA-DBSRCYSRSA-N 379.416 2.525 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c1 95464657 SNYLHVLMXZTMOI-CQSZACIVSA-N 389.351 2.870 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1ccc2c(c1)OCO2 96603305 BITCFBZBTORLMR-NTMALXAHSA-N 377.400 2.714 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)O 101899563 HNUPIHOETWAZJL-JEWRLFTDSA-N 399.491 2.818 0 40 GFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 102129057 FNVWNVGXEGGXJE-SOUVJXGZSA-N 375.494 2.922 0 40 GFAB Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1 169754321 MRBGRNNVOMYXEK-UHFFFAOYSA-N 377.444 2.701 0 40 GFAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O 170550488 LWMHWOUCZOPQEE-UHFFFAOYSA-N 393.486 2.945 0 40 GFAB Cc1c(C(=O)N2CC[C@H](S(=O)(=O)Cc3ccco3)C2)cnn1-c1ccccc1 206693722 KHZLWLMEPNGSKL-SFHVURJKSA-N 399.472 2.603 0 40 GFAB CS(=O)(=O)N1CCN(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)C1=O 206882212 IKHWFBSKFCBCKS-CQSZACIVSA-N 399.900 2.727 0 40 GFAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218620154 AFJSLWNNGFFMOD-JZXOWHBKSA-N 379.865 2.618 0 40 GFAB C[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccccc1F)S(C)(=O)=O 220296960 UZOKGWGCHSGEJG-CQSZACIVSA-N 376.453 2.565 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223196237 HWZVIJRWPCQYJZ-QGZVFWFLSA-N 388.439 2.767 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(C(F)(F)F)cc1 224359279 NOQYQHBZJYBEHB-UHFFFAOYSA-N 395.385 2.650 0 40 GFAB Cc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224704779 DHBWMPFPJPSKHU-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225685488 OZNXZUQFAGEYLK-NSHDSACASA-N 378.475 2.648 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225711626 OGHQIXJOQYMMPN-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB CCOc1ccccc1NC(=O)NCc1nnc2c(-c3nc(C)no3)cccn12 225748579 ZDCZLXHHUCCTHR-UHFFFAOYSA-N 393.407 2.808 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)CSc3c[nH]c4ccccc34)CC2)n1 238872033 NDIZLGTYXBRJPA-UHFFFAOYSA-N 397.504 2.849 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](n4cc(C5CC5)nn4)C3)CC2=O)cc1C 244986238 JMFIWFLORZJTAZ-IEBWSBKVSA-N 393.491 2.599 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)c2ccnnc2)n1 257279875 OINGSYKCAJVNNK-KRWDZBQOSA-N 378.436 2.776 0 40 GFAB Cn1cccc1C(=O)N1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306131816 KQEVSOHIUIHDTG-NRFANRHFSA-N 380.423 2.843 0 40 GFAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 408612481 VLSUMLXTCYERNJ-UHFFFAOYSA-N 380.485 2.677 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](c1cccs1)n1cccn1 575613631 IRIWONYMQPSMMV-INIZCTEOSA-N 389.502 2.514 0 40 GFAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1CCNCC1(F)F 583747440 SBBKPTOGBVWZER-CQSZACIVSA-N 381.810 2.733 0 40 GFAB CC(=O)N1CCCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccc(C)cc2)CC1 585285535 ZETOWGFKJSDDMZ-VXKWHMMOSA-N 385.552 2.802 0 40 GFAB O=C(c1nccc2ccccc12)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1 585605132 SIZGPAUAOACXLU-UHFFFAOYSA-N 397.438 2.626 0 40 GFAB CC1(C)[C@@H](NC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1 626515157 ACGGFMSOHDYCOC-PVAVHDDUSA-N 388.493 2.556 0 40 GFAB O=C1NCCCCC2(CCN(CC3CC3)CC2)C(=O)NCCOc2ccccc21 643567293 YAKDIXHPMSUFTE-UHFFFAOYSA-N 399.535 2.588 0 40 GFAB Cn1cc(COc2cccc(-c3ccc(C(=O)NC4CCOCC4)nc3)c2)cn1 665180710 HNEBDQXSWPCZEV-UHFFFAOYSA-N 392.459 2.970 0 40 GFAB O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)nc(O)n2C1CC1 667361043 ZGDUKHNICLQVAL-UHFFFAOYSA-N 382.386 2.833 0 40 GFAB Cc1cc(OCC2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)ccn1 1775969507 WFVQSUMLRHGNEP-UHFFFAOYSA-N 379.460 2.777 0 40 GFAB Cn1cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1 1888883422 NAFBVXCNWCQIGY-UHFFFAOYSA-N 396.495 2.692 0 40 GFAB O=S(=O)(N[C@H]1CCCN(c2ncc(Br)cc2Cl)C1)C1CC1 1888928882 QZKZHZIDTBJRHD-JTQLQIEISA-N 394.722 2.548 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037841112 WQQIBHGPSZHIOT-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2094593 URZDPNCTZDVGKL-SJCJKPOMSA-N 387.432 2.809 0 40 GFAB biogenic O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccc(Cl)c1 2966889 SQZKUSDMHKXXOP-OAHLLOKOSA-N 398.875 2.714 0 40 GFAB CCOC(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 3045625 ROKQITKABXDWKN-GOEBONIOSA-N 397.500 2.841 0 40 GFAB biogenic CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 3216056 MSMDTYBPWSVRPY-UHFFFAOYSA-N 394.522 2.836 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 3432666 KJDKUNIECLLZSP-LJQANCHMSA-N 399.466 2.952 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 3556653 VXBLAQZLESECJS-UHFFFAOYSA-N 392.908 2.724 0 40 GFAB O=C1C[C@@H](NC(=O)N2CCCc3ccccc32)CN1c1ccc2c(c1)OCCO2 4479702 KXGIBKCZLHYIBZ-MRXNPFEDSA-N 393.443 2.726 0 40 GFAB COc1cccc(-n2cnnc2SCc2cc(=O)n3c(C)csc3n2)c1 4843715 HEJLECSDAQGLFZ-UHFFFAOYSA-N 385.474 2.946 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2cn3ccsc3n2)c1 4864611 QLNORYYRWNONKA-UHFFFAOYSA-N 392.506 2.608 0 40 GFAB Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1F 4895752 ALBQHXSGDYGELI-AREMUKBSSA-N 380.416 2.908 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](C(=O)NC(C)C)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 5473520 QOIQZYGDBSSSQD-BFHYXJOUSA-N 386.370 2.594 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1C 6282038 JTNWDNSKTPDOAC-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(OC)c1 6326287 CHIQNUUWWVSQQE-CHHVJCJISA-N 378.450 2.512 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)s1 6451351 HWDJZTBEFCPZQT-UHFFFAOYSA-N 377.451 2.890 0 40 GFAB CN1C(=O)N/C(=C/c2cccn2-c2ccc(I)cc2)C1=O 6949678 AOOLOPXEDAQMCE-UKTHLTGXSA-N 393.184 2.604 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3F)CC2=O)cc1 7016423 AFMRTYOYYRUQPC-CYBMUJFWSA-N 388.370 2.808 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)cc1 7801619 HGPRKTJHHUPWNS-UHFFFAOYSA-N 399.472 2.527 0 40 GFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CCCc2ccccc21 7920564 SMIAMPXDDGLHJK-HXUWFJFHSA-N 391.471 2.737 0 40 GFAB Cc1cccn2c(=O)cc(CNc3ccccc3C(=O)NC[C@H]3CCCO3)nc12 8156747 UMFGFUQOYAZNFS-QGZVFWFLSA-N 392.459 2.524 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 8203982 PMRRPQPUQYZGMR-UHFFFAOYSA-N 397.475 2.892 0 40 GFAB C[C@@H]1CCC[C@@H](NC2=NN/C(=C3\C=NC(C(=O)N4CCCC4)=C3)CS2)[C@@H]1C 8943941 KDDICYIKNRUZNB-XPIQUWJHSA-N 387.553 2.853 0 40 GFAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3ncnc4sccc34)oc(C)c12 9482962 AEFKKJQEBGYSDY-UHFFFAOYSA-N 387.446 2.868 0 40 GFAB CCOc1ccccc1C(=O)NCCn1nc(-c2ccc(OC)cc2)ccc1=O 9660860 FUSMGULGGWPZMP-UHFFFAOYSA-N 393.443 2.748 0 40 GFAB COc1cc(CCNC2=NS(=O)(=O)c3ccccc32)ccc1OC(F)F 9690373 YULMBZMMVBRGHU-UHFFFAOYSA-N 382.388 2.578 0 40 GFAB C[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(-n2ccnc2)cc1 9836807 GRFFWJXPAADPMM-AWEZNQCLSA-N 395.488 2.876 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc2c(c1)CCCC2 10324721 ZIVIQIZLCSYSML-UHFFFAOYSA-N 399.472 2.973 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CNc3ccccc3Br)nnc12 11621437 LJCQNJLGZBHORM-UHFFFAOYSA-N 384.237 2.956 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccc(OC)cc4O3)C2)c1 12086767 DMEVTLOBZJEIKS-JOCHJYFZSA-N 396.443 2.501 0 40 GFAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCCC[C@H]5C)nc4c23)C1 12184165 ZSZDBTGAKGTOGM-QWHCGFSZSA-N 399.520 2.632 0 40 GFAB COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)ccn1 12239163 RTMNWIRFOKLIKV-MRXNPFEDSA-N 390.447 2.781 0 40 GFAB CCOc1ccccc1NC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342524 CVIRAPBKHJKWKC-UHFFFAOYSA-N 393.443 2.888 0 40 GFAB CCOC(=O)CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 12760718 MRNTZLDCLHAKOT-UHFFFAOYSA-N 396.509 2.842 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccncc2)N1Cc1ccccc1 13654108 YBIPUPJGXZPJHT-CTNGQTDRSA-N 380.469 2.931 0 40 GFAB Cc1ccc(-n2c(SCCN3CCOCC3)nc3ccccc3c2=O)nc1 15277901 RFAGDELDNGQSOS-UHFFFAOYSA-N 382.489 2.513 0 40 GFAB Cc1cccc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1C 15718333 PONHUHIDOCYJIM-UHFFFAOYSA-N 388.489 2.522 0 40 GFAB CC(C)c1nnc(NC(=O)CSCc2cc(=O)n3ccccc3n2)s1 15864048 PPXJKVVQUQJYNL-UHFFFAOYSA-N 375.479 2.541 0 40 GFAB CNC(=O)c1nn(-c2ccc(C)cc2)s/c1=N\C(=O)c1ccc(Cl)cc1 16956985 KEXGNJJXVCZKMK-UZYVYHOESA-N 386.864 2.996 0 40 GFAB Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc(C(C)C)n1 18059717 DWHCYKXUVPYRHG-UHFFFAOYSA-N 396.463 2.698 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@H]([C@H](NC(C)=O)c2ccccn2)C1 19020288 BBMPAIMSEDKACR-AVRDEDQJSA-N 381.476 2.749 0 40 GFAB Cc1csc2c(C3CCN(S(=O)(=O)c4cccnc4)CC3)nc(C)n12 19240580 BWRGWALRFVKGJW-UHFFFAOYSA-N 376.507 2.976 0 40 GFAB C[C@@H](Cc1cc(=O)[nH]c(NC2CCN(Cc3ccccc3)CC2)n1)n1cccn1 19456747 QXRVSMHSMKQKBB-KRWDZBQOSA-N 392.507 2.847 0 40 GFAB COCCN(C(=O)c1scnc1C)c1nc2c(s1)CCc1c-2cnn1C 19561991 CLNCLFZICFSVHX-UHFFFAOYSA-N 389.506 2.700 0 40 GFAB COc1ccc([C@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C2CC2)cc1 19662554 ZVOHOIUUVRKVQS-OAQYLSRUSA-N 380.492 2.723 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cc(CCOc2ccccc2Cl)[nH]n1 19703614 ZTLAQIAWEWFFHQ-MRXNPFEDSA-N 398.916 2.628 0 40 GFAB CCn1c(=O)n(CCC(=O)N(C)Cc2ccc(OC)cc2OC)c2ccccc21 21913070 QUBRXZJRIMJGHT-UHFFFAOYSA-N 397.475 2.889 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(F)c2)c1 22229769 IWZIUMKCPXXSNK-QGZVFWFLSA-N 392.452 2.935 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCCCC2)c1 22230037 UWNVTJPMNHTRAD-QGZVFWFLSA-N 380.510 2.559 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22536670 KRILSBHXSTYHLF-CQSZACIVSA-N 394.468 2.769 0 40 GFAB COc1ccc(C(=O)NCC(=O)Nc2ccccc2N2CCCC2)cc1OC 22644067 XZAJLVSEIZDGMO-UHFFFAOYSA-N 383.448 2.673 0 40 GFAB O=C1CCSc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2N1 26525894 PUJIMLUZDIOCOM-UHFFFAOYSA-N 383.473 2.789 0 40 GFAB O=C(CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CC1 26900142 FYXRHECZBHEFPM-UHFFFAOYSA-N 376.810 2.545 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 30867125 MNJBEGWWPLVQCD-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CC(C)N(C)C(=O)c1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cc1 31051025 FGBFZTLASJAYON-UHFFFAOYSA-N 383.448 2.895 0 40 GFAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 31601944 YYRZSTADYCWDTR-HNNXBMFYSA-N 392.525 2.576 0 40 GFAB CCn1c(SCC(=O)NCc2ccccc2Cl)nc2ncccc2c1=O 32876469 GHFSPHCAZNOFSZ-UHFFFAOYSA-N 388.880 2.873 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1 36090968 JLJREGUFYOCBIZ-GOSISDBHSA-N 395.912 2.880 0 40 GFAB COc1cc(I)c(Cl)cc1C(=O)NC[C@@H]1CCCO1 40073337 QLOOGUMZZGRRJZ-QMMMGPOBSA-N 395.624 2.862 0 40 GFAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)c1cn(Cc2ccccc2)nn1 40094638 IQQOIHLQHDAXLI-UHFFFAOYSA-N 379.395 2.845 0 40 GFAB C[C@H](NC(=O)COc1ccc(NC(=O)Cn2cccn2)cc1)c1ccc(F)cc1 40135327 ABQRBJQCWVTZTF-HNNXBMFYSA-N 396.422 2.917 0 40 GFAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 40151028 QEVAOEVLYGFDDV-CQSZACIVSA-N 383.477 2.829 0 40 GFAB CC(=O)Nc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)ccc1Cl 41077239 OTBQGPWFOOVMEW-UHFFFAOYSA-N 375.768 2.565 0 40 GFAB O=S(=O)(Nc1ccc(Oc2cnccn2)cc1)c1ccc2c(c1)OCCO2 42714305 IVBJWBXRFLFVOL-UHFFFAOYSA-N 385.401 2.841 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 46147548 GDUXBECIWOUMIQ-IAGOWNOFSA-N 377.554 2.896 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 48270187 MWMJLELXHZSIGT-QKLQHJQFSA-N 387.524 2.902 0 40 GFAB CC(C)c1cccc(O[C@H](C)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 48354756 CVHPJXRTJISWTL-DYESRHJHSA-N 392.565 2.901 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)no2)cc1 51311834 HKRDWIIWUGVWFW-UHFFFAOYSA-N 380.356 2.924 0 40 GFAB Cc1c(C(=O)NCCN2CCCCC2)nnn1-c1ccc(Br)cc1 51318060 HZDLOYLIMKWYQZ-UHFFFAOYSA-N 392.301 2.554 0 40 GFAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1CCC(=O)NC1 51566782 KLCXLQPSVHLLAD-JTQLQIEISA-N 379.409 2.787 0 40 GFAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 56997375 MYHOJLJDQNLLGZ-UHFFFAOYSA-N 387.867 2.621 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492418 UVHZFXDADXFDPD-UHFFFAOYSA-N 385.489 2.747 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)c1ccccc1 62022789 GNJOYZOGGXECFT-SJLPKXTDSA-N 376.464 2.756 0 40 GFAB COc1ccc(NC(=O)C[C@@H](CN2CCN(c3ccccc3)CC2)C(=O)O)cc1 71283625 VSCRDUVTZYWYFJ-KRWDZBQOSA-N 397.475 2.547 0 40 GFAB CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 72242235 HXAXCZCPURFOHM-CTNGQTDRSA-N 381.451 2.694 0 40 GFAB O=C(NCc1cccc(OCCN2CCOCC2)c1)c1cccc2cccnc12 72274522 XYTGZIZKDMXTPE-UHFFFAOYSA-N 391.471 2.876 0 40 GFAB NC(=O)c1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1 72362867 UGRNHNZYCOVBGW-UHFFFAOYSA-N 382.464 2.726 0 40 GFAB COc1cccc2cc(C(=O)NC[C@@](O)(c3cccs3)C3CC3)c(=O)oc12 77099491 OQHBTEYXVBLKHS-FQEVSTJZSA-N 385.441 2.891 0 40 GFAB CO[C@H](C)c1noc(CCC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 79016246 FUCUOWAZKCCCDG-DOMZBBRYSA-N 379.844 2.963 0 40 GFAB C[C@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 79103907 DPQVOIJSCRJBTK-RHSMWYFYSA-N 377.462 2.638 0 40 GFAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)nc(N2CCOCC2)n1 84093545 GIYFXLJYXSUAIY-AWEZNQCLSA-N 390.871 2.989 0 40 GFAB CNS(=O)(=O)c1ccc(CNC(=O)c2cc3cc(C)ccc3nc2C)s1 84208259 UJKLCUYQRWLNNO-UHFFFAOYSA-N 389.502 2.751 0 40 GFAB O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 89775030 WCKDOVYTZFNDLH-MAUKXSAKSA-N 379.428 2.800 0 40 GFAB C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nncn1C 96009402 HORYXKCIPPMZKH-UKRRQHHQSA-N 386.504 2.631 0 40 GFAB O=S(=O)(c1cc(F)ccc1F)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340611 KXSUGMBBPOIQHL-UHFFFAOYSA-N 397.325 2.935 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2CCCC2=O)cc1 96997635 OPIMUDVFMZMVLO-UHFFFAOYSA-N 391.471 2.979 0 40 GFAB O=C(COC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc(Cl)cn1 104176101 OAJFUOWXJWFCMM-NYYJTOMGSA-N 378.856 2.938 0 40 GFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccccc1)S(C)(=O)=O 113941460 PHIMLIFXMMWYOD-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222468973 NYQGOJJCDDMOTJ-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc21)c1ccccc1F 222657939 DRYKYJPTAOCNEH-UHFFFAOYSA-N 376.453 2.961 0 40 GFAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223125191 UPYIGIVFUPXPMH-SJORKVTESA-N 388.562 2.756 0 40 GFAB CNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224786896 HAPWJIYSDHHBIS-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224802053 GPSSJRRRJVZUEQ-UHFFFAOYSA-N 393.461 2.689 0 40 GFAB CCc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 225195975 NZUFJXVFIGKOSK-NSHDSACASA-N 382.511 2.735 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)cc1 225603073 HDMYPDVWUHNHEX-ZDUSSCGKSA-N 390.461 2.709 0 40 GFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 238971273 ZKZHPLGRLKQCQG-KXBFYZLASA-N 388.427 2.538 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230211 NKPHVJAVUYSGSZ-VDVULAQNSA-N 396.418 2.516 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCCc2nc3ccccc3n2C)[C@H]1O 257237061 HEZFOONFSMYVHP-SFGWALBWSA-N 395.507 2.672 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N(C)C 257275483 NPOYZXVHZAPZJD-SFHVURJKSA-N 380.492 2.744 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 306124413 BPFFNAUYQKPFNV-GOSISDBHSA-N 399.458 2.910 0 40 GFAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 408818813 PAFAIGKUVVZWSU-GHXNOFRVSA-N 385.825 2.957 0 40 GFAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 409057013 GDQDXBILACAHPI-LADMSCKDSA-O 388.422 2.842 0 40 GFAB CCc1ccc([C@@H]2CN(C(=O)Cn3cc(-c4ccccc4)nn3)CCN2)cc1 505460331 MRSVHSKPPRVDES-FQEVSTJZSA-N 375.476 2.681 0 40 GFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ncc[nH]1 524729703 FQWVVRAZFLSGJX-GOSISDBHSA-N 387.399 2.553 0 40 GFAB biogenic O=C(NCc1n[nH]cc1Br)c1cc(Br)cc2nc[nH]c12 554567412 YCRBQUWYVIWMMD-UHFFFAOYSA-N 399.046 2.741 0 40 GFAB Cn1nc(-c2ccsc2)cc1NC(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 562602615 RNPHCGVUHRRLAT-CJNGLKHVSA-N 386.481 2.924 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1C 575611992 JRMURNUBOSNMNO-NRFANRHFSA-N 389.517 2.896 0 40 GFAB COc1cccc2c(C(=O)N3CCC(c4nnc5n4CCCC5)CC3)n[nH]c12 577143155 UOSFCXIQBJNTBC-UHFFFAOYSA-N 380.452 2.519 0 40 GFAB C[C@@H](C(=O)N1CCC[C@@]1(c1c[nH]c2ccccc12)C(F)(F)F)S(C)(=O)=O 622981333 WNLGLLLAEHODPC-MEDUHNTESA-N 388.411 2.981 0 40 GFAB CN1CCCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 623597349 HFAFJDXNELOXPI-SJORKVTESA-N 394.510 2.960 0 40 GFAB COc1cccc([C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)nc(O)c32)c1OC 670416157 SSPSMEQBWCDYIX-AWEZNQCLSA-N 398.463 2.910 0 40 GFAB Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCNC(=O)C[C@H]4C)ccc32)c1 682681634 LFDPXHSNTFLYJC-MRXNPFEDSA-N 376.460 2.993 0 40 GFAB COc1cccc(-c2cc(C(=O)N3[C@H]4CC[C@H]3CC(n3cncn3)C4)n(C)n2)c1 824789946 CMBRMMIOLILIPG-HOTGVXAUSA-N 392.463 2.696 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccc2c(c1)CCO2 1775967016 BLKVEWVNFYDIGM-CQSZACIVSA-N 391.470 2.955 0 40 GFAB COc1nccnc1N(C)CC1CCN(c2nccn3nc(C4CC4)cc23)CC1 1888897891 CFOCQBKCCBVUJK-UHFFFAOYSA-N 393.495 2.758 0 40 GFAB O=C(CN1CCC[C@@](O)(COc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 2037915974 FGWULBLHCTVJEQ-QFIPXVFZSA-N 398.459 2.650 0 40 GFAB CCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(OC)cc3)C(C)=O)C2=O)cc1 842642 FFQKDTHSVQTYIK-HXUWFJFHSA-N 396.443 2.775 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC 1097635 HPPHRFFNHMDQCZ-UHFFFAOYSA-N 376.478 2.523 0 40 GFAB COC(=O)CSc1nnc(-c2cccnc2)n1-c1cc(OC)cc(OC)c1 1328582 RUMXCYGJISHFIB-UHFFFAOYSA-N 386.433 2.612 0 40 GFAB COc1ccc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1 1400530 WGUFNABMKQUMAU-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H](C(C)=O)C2 1639161 KRWAWNXEYPCCLG-KOCOEAGCSA-N 383.488 2.729 0 40 GFAB Cc1c(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc2c3c(c(=O)oc12)CCC3 2091382 USIWAVHDEVCCJS-INIZCTEOSA-N 387.432 2.584 0 40 GFAB biogenic C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cc2C1 3382293 LNINSJVHPFKIAT-SECBINFHSA-N 378.475 2.829 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc2c1CCC2 3773532 YJYUZSPMTHNNSM-UHFFFAOYSA-N 393.490 2.536 0 40 GFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(C)=O)scc12 4121267 CFEXXMGRQYTDPH-UHFFFAOYSA-N 375.381 2.721 0 40 GFAB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(C(C)=O)=NN2c1cccc(Cl)c1 4281885 FCJFHNOJWPKEHE-WMZOPIPTSA-N 397.818 2.672 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C(C)C)n2CC)n1 4354728 KGSVQJLQQKJVNU-UHFFFAOYSA-N 397.526 2.714 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)cc1 4679795 SILCXYMCTVRGIB-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccn2)c1 4749209 BLEPLGHZNBJUAV-GOSISDBHSA-N 392.419 2.618 0 40 GFAB O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 4907890 RMDZJTQNTYUKAV-UHFFFAOYSA-N 377.194 2.798 0 40 GFAB Cc1cccc(C(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 4909605 CKXZNOOLOSOVGG-UHFFFAOYSA-N 395.459 2.557 0 40 GFAB O=C(O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 5000698 KFSHYNSZLUSZHM-RVDMUPIBSA-N 388.445 2.824 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 6587743 VWGFMYCAFPSXES-JOCHJYFZSA-N 399.491 2.859 0 40 GFAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1C 6680829 ADNHDBHDUHOAGQ-UHFFFAOYSA-N 381.475 2.605 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 7077825 YCDWWQAIUXUFOY-ZDUSSCGKSA-N 380.441 2.920 0 40 GFAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccc2c(c1)OCO2 7121346 XRDODXGASXQMSV-UHFFFAOYSA-N 384.413 2.721 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)Cc1nc2ccc(Cl)cc2n1CCO 7487765 SSELKDMZQRHOBD-UHFFFAOYSA-N 390.846 2.892 0 40 GFAB CSc1nc(N2CCCCC2)c2cc(C(=O)N3CCOCC3)sc2n1 7604219 IQVBQMUUBAQXAV-UHFFFAOYSA-N 378.523 2.876 0 40 GFAB O=C(Cc1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7671629 RLSSWDMDWIQKTL-MRXNPFEDSA-N 395.434 2.813 0 40 GFAB CS(=O)(=O)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 8257627 WQLDMYMVRVQDKX-UHFFFAOYSA-N 392.506 2.625 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)NCc1nc2ccccc2n1CC 8746645 ZIBOUDINRWBFTR-UHFFFAOYSA-N 380.448 2.501 0 40 GFAB Cc1ccc(CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1F 8778659 SQFMOEVCFOFSQQ-UHFFFAOYSA-N 381.455 2.809 0 40 GFAB Cc1cc(C)cc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)c1 8954951 BEDOSAOMQLCZKX-UHFFFAOYSA-N 389.502 2.567 0 40 GFAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(OCc2ccccc2)cc1 9366677 WTALMPCVUSAODO-LBPRGKRZSA-N 396.476 2.734 0 40 GFAB CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 9376834 KTGXVUOUUSLQCD-HUUCEWRRSA-N 396.509 2.920 0 40 GFAB O=C(NCc1ccccc1CN1CCCCC1)c1cnc2sccn2c1=O 9550378 KANSWIMMOZWSCK-UHFFFAOYSA-N 382.489 2.672 0 40 GFAB COC(=O)c1sccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 10569159 RZANZWMLAAPUMT-UHFFFAOYSA-N 377.809 2.537 0 40 GFAB CC(C)C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 10960748 JNIVBKJAXYQGKB-GOSISDBHSA-N 390.447 2.571 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)c1C 12413645 JAGWTTNFPMNZGZ-UHFFFAOYSA-N 399.520 2.579 0 40 GFAB Cc1ccn2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)nc2c1 12604056 BLRHNVMYKNTJEB-OAHLLOKOSA-N 378.432 2.804 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 12605090 CHHDNHXAMQGNRE-UHFFFAOYSA-N 395.433 2.690 0 40 GFAB Cc1sc2nc(S[C@@H](C)C(=O)NC(N)=O)n(C3CCCC3)c(=O)c2c1C 12763786 KTHCBRNNTSHMME-JTQLQIEISA-N 394.522 2.865 0 40 GFAB C[C@@H](OC(=O)CCCn1c(=O)oc2ccccc21)C(=O)N(C)c1ccccc1 12811043 XTXYQKSJANGJAF-OAHLLOKOSA-N 382.416 2.969 0 40 GFAB Cc1ccc2c(CC(=O)N3CCC(C(=O)N4CCOCC4)CC3)coc2c1C 12878582 UEHOOTCJSJECOG-UHFFFAOYSA-N 384.476 2.690 0 40 GFAB Cc1c(CCC(=O)NCCC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12900871 YAKSZKJQYJZKGJ-UHFFFAOYSA-N 387.432 2.729 0 40 GFAB biogenic Cn1c(=O)n(C)c2cc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)ccc21 13841716 GVJVTZCVESVMGE-ZSOIEALJSA-N 382.807 2.628 0 40 GFAB CS(=O)(=O)Cc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 14200144 NRYAHUWLZZZGDX-UHFFFAOYSA-N 381.837 2.908 0 40 GFAB CN(C)C(=O)C1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 14238422 FBTHMEOPKXRUIE-AWEZNQCLSA-N 375.296 2.533 0 40 GFAB COc1ccc([C@@H](CC(=O)NCCn2c(C)nc3ccccc32)NC(C)=O)cc1 15136130 UWRPWWHOWNUYOZ-HXUWFJFHSA-N 394.475 2.737 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C)n1 15940685 QTOXBLFFQGQUIA-AWEZNQCLSA-N 397.497 2.568 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1 16094663 UXGPROCFWMGERY-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1 19211418 SOCXMZSPUGMGNR-HNNXBMFYSA-N 399.476 2.712 0 40 GFAB Cc1cccc2c(C[C@@H](C)NC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)c[nH]c12 19236594 AYFQAJMHVUMSSI-VQIMIIECSA-N 390.487 2.967 0 40 GFAB COc1ccccc1N1C[C@@H](NC(=O)[C@H](C)Cn2cnc3ccccc32)CC1=O 19457753 ROBIQISYPFMCRV-CVEARBPZSA-N 392.459 2.603 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cnn(C)c3)cc2N1 19574831 KEZZZLFUWYMBMI-DDTOSNHZSA-N 382.390 2.901 0 40 GFAB CNc1ncccc1CN1CCc2c(nc3cc(-c4ccoc4C)nn3c2O)C1 19583140 DDMYQQHGYKJNLM-UHFFFAOYSA-N 390.447 2.998 0 40 GFAB Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)CN(C(=O)CC1CCCCC1)C2 19701379 JZHWHEYECGQWQA-HNNXBMFYSA-N 387.509 2.912 0 40 GFAB Cn1c(=O)cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c2ccccc21 19714353 RVBNEWSHXDWJQT-UHFFFAOYSA-N 389.455 2.591 0 40 GFAB CCn1cc(-c2cc(C(=O)N[C@@H](C)CN3CCOCC3)c3ccccc3n2)cn1 19716534 MAXGMBODFQTZJU-INIZCTEOSA-N 393.491 2.569 0 40 GFAB O=C(CCc1nnc(-c2ccsc2)o1)NC[C@@H]1CCCN(c2ncccn2)C1 19741178 FJRQIKYSFZCKMM-AWEZNQCLSA-N 398.492 2.554 0 40 GFAB O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1noc2c1CCCC2 20458081 BMCKUZYMOOOLSH-UHFFFAOYSA-N 386.471 2.635 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 20512694 IHXHMIZMYGPISL-VIFPVBQESA-N 382.825 2.823 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl)C(C)C 20745188 BCDYBLVLTJRNJH-DOTOQJQBSA-N 390.871 2.918 0 40 GFAB Cc1ccc(C)c(OCCSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 21624244 OZCYVICHULQYTL-CQSZACIVSA-N 382.507 2.835 0 40 GFAB O=C(NCCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1ccco1 22356879 OEGHPUYSJCXSDX-UHFFFAOYSA-N 393.846 2.536 0 40 GFAB COc1ccc(OC)c(-c2nnc(NC(=O)COc3ccccc3OC)o2)c1 22768278 XGXHZVQWCFFNHW-UHFFFAOYSA-N 385.376 2.780 0 40 GFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cc1ccc(C)c(OC)c1 23893397 OKVWKAIELSJWBC-UHFFFAOYSA-N 397.475 2.522 0 40 GFAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606755 JBZGFKRADDPMHR-CYBMUJFWSA-N 390.596 2.797 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(C)c(-c2nccn2C)s1 25143743 VWSIHWZRTKXEEF-UHFFFAOYSA-N 390.490 2.898 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)CNC(=O)c2ccc3ccccc3c2)C[C@H](C)O1 25407861 YFLYCRUYPJHDOS-IRXDYDNUSA-N 397.519 2.574 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)c(Cl)c1 28208258 WDWGPVCZUQQHCO-UHFFFAOYSA-N 390.933 2.912 0 40 GFAB CCOC(=O)N[C@@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)C(C)C 30705242 SRLNDDRRDXJAJK-CQSZACIVSA-N 378.454 2.964 0 40 GFAB COC(=O)c1cc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c(F)cc1F 30820916 ABDWHWDEFPCDCV-UHFFFAOYSA-N 383.372 2.716 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCN1CCc2ccccc2C1 31338303 LKXNGLMZMGIRMC-OAQYLSRUSA-N 397.494 2.755 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc(-c3ccc(Br)o3)n2)cc1F 32761001 CKJRPRLXWULINN-UHFFFAOYSA-N 380.177 2.782 0 40 GFAB Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 32771391 YFSUCXOUFTWJFO-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB CC(C)CCNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325420 CHFHEJZEGSQDFM-ZDUSSCGKSA-N 381.523 2.747 0 40 GFAB CC[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1OC(F)F 40090594 HZWUWIGNTWRCHU-OCCSQVGLSA-N 390.452 2.527 0 40 GFAB COc1cc(CCNC(=O)c2cnc3[nH]nc(C)c3c2)ccc1OC(F)F 40118665 DNSMTPUUJYWFPK-UHFFFAOYSA-N 376.363 2.849 0 40 GFAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c12 40135152 QQUVZKRBIKSGLH-DGCLKSJQSA-N 397.504 2.731 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 44999078 MTVGIDRHOJIVBG-KXBFYZLASA-N 380.444 2.699 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)c(C)c1 47266701 JVJMIKPRBWIBHW-UHFFFAOYSA-N 388.533 2.923 0 40 GFAB O=C(CNc1cccc(C(=O)N2CCc3ccccc32)c1)NCC(F)(F)F 58201907 LLXHZFACKJIYHH-UHFFFAOYSA-N 377.366 2.980 0 40 GFAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1ccccc1Cl 69982263 TYLCGSIDGWNNLY-UHFFFAOYSA-N 384.852 2.734 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640202 APOHLDHEFHSAFU-MRXNPFEDSA-N 384.398 2.862 0 40 GFAB COc1ccc(Oc2cc(C)nc([C@H]3CCN(C(=O)Cn4cccn4)C3)n2)cc1 72384399 XPBXFIIOJPZQLD-INIZCTEOSA-N 393.447 2.799 0 40 GFAB O=C(Nc1cccnc1-n1cc(Cl)cn1)[C@@H]1CC(=O)N(c2ccccc2)C1 72403092 NLNPAKNPFMKHDZ-CYBMUJFWSA-N 381.823 2.912 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H](CO)Cc2ccccc2)c(Br)c1 84131215 XIBVLZOAUSXNGS-HNNXBMFYSA-N 398.322 2.887 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c[nH]c(C)c(Cl)c2=O)cc1OC 89505499 MCYLBTGQXUPVAT-SNVBAGLBSA-N 394.811 2.538 0 40 GFAB COc1ccc(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)cc1Cl 90608514 IHAGQEZGNUSLRB-AWEZNQCLSA-N 380.853 2.776 0 40 GFAB CCc1noc2ncc(S(=O)(=O)NC[C@H](C[C@@H](C)O)c3ccccc3)cc12 95940992 ISFCRJVWQAKMML-HIFRSBDPSA-N 389.477 2.618 0 40 GFAB O=c1c2cnn(-c3ccccc3)c2nnn1Cc1ccccc1Br 95964589 NWVMFZDQJQYXDG-UHFFFAOYSA-N 382.221 2.788 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2cc3ccccc3o2)cc1 96097303 HGVZPOKYUQVPMF-INIZCTEOSA-N 389.429 2.621 0 40 GFAB COc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccc(Cl)cc1 96100863 ZJXNNAKHQOCBTN-UHFFFAOYSA-N 390.852 2.976 0 40 GFAB O=C1N(Cc2ccccc2)CC12CCN(S(=O)(=O)c1cccs1)CC2 96202904 HKCYTSBYQUHPIL-UHFFFAOYSA-N 376.503 2.561 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2C[C@@H]2C2CCCCC2)cc1 97113302 DQLGUEYHVXZXAH-URLQWDBASA-N 394.537 2.695 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3Cl)C2=O)cc1 100033408 VVVXZNLHLIXOLA-SJORKVTESA-N 397.822 2.580 0 40 GFAB O=C(Cc1csc(-c2cccc(F)c2)n1)NS(=O)(=O)C[C@@H]1CCCCO1 102141312 RIMIQXAVWSJZMD-HNNXBMFYSA-N 398.481 2.507 0 40 GFAB CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223531122 QNILEKJBWIJRGM-UHFFFAOYSA-N 395.293 2.786 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)c(C)c2)cc1OC 224794321 LGMQQNPATTULMU-UHFFFAOYSA-N 379.434 2.601 0 40 GFAB COC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc2c1CCN(C)C2 225048132 QPJJZNJFXPVEKS-UHFFFAOYSA-N 390.461 2.792 0 40 GFAB Cc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccc(F)cc4c3=O)CC2)c(C)o1 225761327 QXILIEHCOGQFJZ-UHFFFAOYSA-N 385.395 2.516 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238903592 RRPZSTQBXOGTQI-IAGOWNOFSA-N 387.436 2.922 0 40 GFAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3ccc(Cl)s3)C2)c1F 239578962 DCSDBAOOPRBAOO-VIFPVBQESA-N 391.877 2.735 0 40 GFAB C[C@H]1C(=O)[C@@]23[C@H]4C[C@@H]5C(C)(C)CC[C@@H](O)[C@@]5(C)[C@H]2[C@H](O)C[C@@H]1[C@H]3OC(C)(C)O4 245239769 MDODVBXGWQIKBY-AFFOFTITSA-N 392.536 2.916 0 40 GFAB Cn1cc(C(=O)N2Cc3ccccc3[C@@H](c3nccn3Cc3cccnc3)C2)cn1 306130789 JPLGELQEYYEOAE-NRFANRHFSA-N 398.470 2.848 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408559015 VCLWLABVADGYPX-UHFFFAOYSA-N 382.526 2.762 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccoc2)cc1 408736860 JPCILMMWZDRMJY-FQEVSTJZSA-N 398.484 2.794 0 40 GFAB COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)c1cc(C)ccc1C 547541644 WFKZUQGBNRRBTA-UHFFFAOYSA-N 388.489 2.799 0 40 GFAB Cc1ccnc([C@H]2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)c1 573576276 JUJYBEOGCADPKQ-HNNXBMFYSA-N 382.855 2.713 0 40 GFAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)nc(C)n1 585147514 ZRZRIRGFQNHVKM-GFCCVEGCSA-N 385.848 2.728 0 40 GFAB COc1ccc(CCNC(=O)N2CCC[C@H](Oc3nc(C)cc(C)n3)C2)cc1 585340563 ZDUAWIAZHUIVRK-IBGZPJMESA-N 384.480 2.898 0 40 GFAB CS(=O)(=O)c1ccc(N2N=C(c3ccc4c(c3)CCC(=O)N4)CCC2=O)cc1 634588153 KNKWPURIBVMUGS-UHFFFAOYSA-N 397.456 2.506 0 40 GFAB O=C(c1cccc(F)c1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576029 DZZSPVWRVNMUED-VQTJNVASSA-N 387.451 2.795 0 40 GFAB Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCNC(=O)C[C@@H]4C)ccc32)c1 682681630 LFDPXHSNTFLYJC-INIZCTEOSA-N 376.460 2.993 0 40 GFAB C[C@H]1COC(C)(C)CN1c1nnc(-c2cnnc(O)c2)n1Cc1cccs1 1123001426 GJGYWUIXLVRBQQ-LBPRGKRZSA-N 386.481 2.554 0 40 GFAB O=S(=O)([C@H]1C[C@H]1c1ccccc1)N1CCC(c2nnc3n2CCCC3)CC1 1616028937 MDHXJWVXWWZKRW-ROUUACIJSA-N 386.521 2.680 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3C2)nn1 1888875921 KNIMKIMXDBMCIU-GASCZTMLSA-N 381.480 2.848 0 40 GFAB CN(C)c1ccc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nn1 1889136319 JGIZYPITBUNDKZ-UHFFFAOYSA-N 381.402 2.763 0 40 GFAB Cn1nc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)ccc1=O 1890335777 HDESDUAAIUAAHG-UHFFFAOYSA-N 389.459 2.621 0 40 GFAB O=C(c1ncccc1F)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037988406 FBMIUIMBQMMIRR-NRFANRHFSA-N 383.423 2.649 0 40 GFAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2ccc(Cl)cc2)CC1 2055746459 IFIGMXNCCFPVIJ-UHFFFAOYSA-N 375.904 2.608 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 800416 GWDWQVGXNDJILJ-INIZCTEOSA-N 396.443 2.929 0 40 GFAB CC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 810937 NEUHCPXQPVSIOX-UHFFFAOYSA-N 379.309 2.919 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)NCc2ccccc2)n1C 903379 GUIAPTRETHCRAH-UHFFFAOYSA-N 398.488 2.811 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(C)cc3)cc2c1 1366867 YFWKUEGPSHRYQG-UHFFFAOYSA-N 380.444 2.870 0 40 GFAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 1926299 FTNDMDOTISPORI-UHFFFAOYSA-N 389.433 2.550 0 40 GFAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1 1936143 KSPPOQJBJIBINA-UHFFFAOYSA-N 386.791 2.508 0 40 GFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)c1 2371948 BICATQXCQNGPEK-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 2413010 MNLXGKMHYOCLMH-UHFFFAOYSA-N 378.479 2.941 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ncc(C)s2)C(C)C)c1 2661002 GNIYHWBNZVNPIU-HNNXBMFYSA-N 377.466 2.862 0 40 GFAB CC1CCC(C(=O)N[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C(C)C)CC1 4100520 MBYABQKQUVYBIN-AFMYVXGZSA-N 386.540 2.697 0 40 GFAB O=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccccc1 5075834 UQLFHKIRVVYXFJ-UHFFFAOYSA-N 386.882 2.681 0 40 GFAB CCOc1ccc(OCCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 5950995 GSUJGTLFPWUINF-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB O=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 5983526 JMQXGMJWRNMGTG-UHFFFAOYSA-N 399.447 2.629 0 40 GFAB O=C(COC(=O)c1ccc(Cl)nc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 6634084 JTBIOEAEDBOMPZ-UHFFFAOYSA-N 391.855 2.686 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1 7077776 GYLIWAIGWBDHKC-INIZCTEOSA-N 390.505 2.767 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1 7218863 JKFVIKOBZYCGIG-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7617198 ACTNGDMSZCKQEQ-UHFFFAOYSA-N 383.481 2.756 0 40 GFAB O=C(CNC(=O)c1cc(Cl)c2c(c1)OCO2)Nc1ccc(F)c(F)c1F 8340869 VHUSFHJSKJEQNM-UHFFFAOYSA-N 386.713 2.855 0 40 GFAB CCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C 8714666 NWVTUTPACRIQIU-UHFFFAOYSA-N 384.498 2.637 0 40 GFAB Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(Br)o2)c(C)c1 8919084 CPGRRJAQTDYXDS-UHFFFAOYSA-N 395.253 2.584 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 8977371 ABZIPZXUKXWVEO-UHFFFAOYSA-N 386.473 2.791 0 40 GFAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCc1nc(-c2ccccc2)no1 12202608 IFMHQTADZLYOBM-KZULUSFZSA-N 380.379 2.931 0 40 GFAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2cc3c(cc2Cl)OCCO3)C1=O 12986198 HSTDDJMIVIAMKB-LLVKDONJSA-N 388.807 2.864 0 40 GFAB CC[C@H](C(=O)N1CCc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 13715984 VVDQBYDXLDCXPK-QGZVFWFLSA-N 376.453 2.960 0 40 GFAB CCCCCCNc1nc2c(c(=O)n(Cc3ccccc3F)c(=O)n2C)n1C 13748701 GEIFZIKRHRNPDJ-UHFFFAOYSA-N 387.459 2.613 0 40 GFAB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1nccs1 14342175 ZLYWRHXJLMKMND-UHFFFAOYSA-N 380.433 2.788 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c1 16351859 MNXHIKPWPIAMHR-CQSZACIVSA-N 386.448 2.742 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C[C@H](O)COc2c(C)cc(C)cc2C)cc1 16839675 WBVAVXXEEHDEFB-SFHVURJKSA-N 377.506 2.981 0 40 GFAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccccn2)no1 16842736 POFYYLWYRXWFNL-UHFFFAOYSA-N 388.362 2.795 0 40 GFAB COc1ccc(-c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3[n+]2CCC3)cc1 17015392 DJFONCLYHVASHX-UHFFFAOYSA-O 392.435 2.765 0 40 GFAB CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 17269332 JHRRJZZBZJAQFM-OKILXGFUSA-N 384.885 2.946 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2N)cc1 18406026 HNPYAQBGHBQZCP-LBPRGKRZSA-N 376.840 2.835 0 40 GFAB O=C(c1c(F)cccc1F)N1CCC[C@@H](Cn2nnc(-c3ccncc3)n2)C1 19292647 YJLJBXLYUARHOX-CYBMUJFWSA-N 384.390 2.566 0 40 GFAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CCC(N)=O)CC3)c12 19554577 WEZJFKPUVZBWSP-UHFFFAOYSA-N 385.512 2.882 0 40 GFAB CN(c1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 19586786 WVSVYAYRJFRWSM-KRWDZBQOSA-N 380.473 2.829 0 40 GFAB CC1CCN(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C)C2)CC1 19715948 LRMSYHFOUSSUKS-INIZCTEOSA-N 376.526 2.729 0 40 GFAB CC(C)(CNC(=O)Cn1cc(NC(=O)c2ccccn2)cn1)c1ccc(F)cc1 19749399 AENVFGUYXKCCGT-UHFFFAOYSA-N 395.438 2.764 0 40 GFAB COc1c2c(cc3c1[C@H](CNC(=S)Nc1ccccc1)N(C)CC3)OCO2 20611319 PBGQHUICHKESED-HNNXBMFYSA-N 385.489 2.940 0 40 GFAB biogenic CN(c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1)S(C)(=O)=O 22230874 NXKYCMSXZHTCSR-IBGZPJMESA-N 388.489 2.655 0 40 GFAB O=C(OCCCOc1ccc(F)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 23076947 PYGJXKSFVXHNPL-UHFFFAOYSA-N 386.379 2.503 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 23183627 HUZOARSGTHWOGC-YLJYHZDGSA-N 382.460 2.739 0 40 GFAB COc1cccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)c1OC 24574060 IBEFCDAUUJTGLE-UHFFFAOYSA-N 391.493 2.520 0 40 GFAB CC1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 24612593 BLVCFJOTBNUYHJ-UHFFFAOYSA-N 382.501 2.626 0 40 GFAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O 28284114 LPCHICKFFYTCDW-KBPBESRZSA-N 386.429 2.529 0 40 GFAB CCc1ccc(OCC(=O)Nc2cc(OC)ccc2OC)c(-n2cnnc2)c1 32646922 LXZBPFICJMXVLM-UHFFFAOYSA-N 382.420 2.864 0 40 GFAB Cc1c(O)ccc2c(COC(=O)CCNC(=O)c3cccs3)cc(=O)oc12 32719335 RFUMTIFLHVIMPN-UHFFFAOYSA-N 387.413 2.732 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 32850767 CFFVKEZVVNCLMP-NSHDSACASA-N 398.868 2.710 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 32999786 YZNMQASTUOOIAK-UHFFFAOYSA-N 396.447 2.692 0 40 GFAB CCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1 42104032 KYWJMRSBLZABOC-UHFFFAOYSA-N 397.456 2.884 0 40 GFAB Cc1cc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nc(C)n1 44711908 LQTVBCKDOYHKIF-UHFFFAOYSA-N 396.882 2.619 0 40 GFAB COc1ccc2[nH]cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2c1 44893450 ZKCRGXGAYAGSDC-UHFFFAOYSA-N 381.407 2.638 0 40 GFAB Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)s1 45934919 OKUMBNKGNNZFSB-AWEZNQCLSA-N 384.457 2.762 0 40 GFAB COc1cc(S(=O)(=O)N2CCCc3ccccc32)cc(C(=O)O)c1OC 45946167 FFZHIDVBVXYFFQ-UHFFFAOYSA-N 377.418 2.544 0 40 GFAB COc1ccc(OCCN(C)CC(=O)N(C)Cc2ccc(OC)c(F)c2)cc1 49605862 CQQMIDOUDOJGSR-UHFFFAOYSA-N 390.455 2.812 0 40 GFAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 53721030 RHCOJJPJUSANIK-RHSMWYFYSA-N 378.542 2.790 0 40 GFAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCn1ccnc1 56396590 QRAJOCIVHDGIGO-NRFANRHFSA-N 378.476 2.536 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 62001365 KHENEYZEEQJVHN-ZOBUZTSGSA-N 391.493 2.528 0 40 GFAB biogenic Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)nc3)cn2)n1 66789564 YSNHBILPFIKPCU-UHFFFAOYSA-N 376.420 2.880 0 40 GFAB CCCc1c(C(=O)NCCCc2cnn(C)c2)nnn1-c1cccc(Cl)c1 68099752 AQYKLYCVBIUKES-UHFFFAOYSA-N 386.887 2.969 0 40 GFAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3nccs3)c2C)c(Cl)c1 71327152 AWMSLQSERMFVGU-UHFFFAOYSA-N 390.856 2.896 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)c12 95469331 SFMOVOIDHGDZIO-INIZCTEOSA-N 380.379 2.693 0 40 GFAB Cc1c([C@H](C)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)nnn1-c1ccc(F)cc1 95996194 ASLHZULZYOICOS-XJKSGUPXSA-N 399.445 2.849 0 40 GFAB Cc1ccc(N2C[C@@]3(COCCN(Cc4cccs4)C3)OCC2=O)s1 96051453 OCIWWOKEVYFQTR-SFHVURJKSA-N 378.519 2.752 0 40 GFAB CCCc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)cc1 96238059 WUSPKZWMCUXNSL-QHCPKHFHSA-N 392.503 2.597 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3c(F)cccc3F)C2)Oc2ccccc21 96367571 AMMFJEPRQSHFHM-GOSISDBHSA-N 379.384 2.763 0 40 GFAB COc1ccc(CCC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c(OC)c1 96374448 FVZJDGMAYMBTBJ-UHFFFAOYSA-N 397.537 2.698 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(F)ccc21 100876431 LNWUVUTYVLPIQA-VZCXRCSSSA-N 386.404 2.959 0 40 GFAB O=C(Nc1ccc(F)cc1F)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 107147284 CNQXGNJBYGZNMX-KXBFYZLASA-N 375.419 2.969 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1 107234280 OLSTXJXGPIEFSS-PKOBYXMFSA-N 390.530 2.774 0 40 GFAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223261790 OMIFSMXLCBXSCY-FFZOFVMBSA-N 399.564 2.596 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)s1 223754101 TUKYDBIJVVBENG-ZDUSSCGKSA-N 382.511 2.952 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1)c1ccccc1 224518695 XWRBMUBQOQJYBC-UHFFFAOYSA-N 396.400 2.869 0 40 GFAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2nccc3ccccc23)C1 225505860 MHVOPMMWYNCLCP-MRXNPFEDSA-N 377.448 2.774 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1 225900442 IWODHLJBDOFJMD-UHFFFAOYSA-N 392.573 2.780 0 40 GFAB CCN(CC(=O)N(C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 226056504 FXGLSNDHGCPKBH-UHFFFAOYSA-N 380.441 2.508 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1ccco1)NC2=O 247957494 PDUFOBXTUSCOGH-DUGAHGDYSA-N 396.443 2.859 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)/C=C/c1ccc2c(c1)OCO2 253474928 LXKFJKZEDWHENT-FSNDINTDSA-N 381.428 2.777 0 40 GFAB COc1ccc(OCC(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCCC[C@H]2[C@]4(C)C3)cc1 257264383 LUCRZTHNCXOKDN-QRXQEZHUSA-N 386.492 2.855 0 40 GFAB Cc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NC1CCCC1 257273662 NHQBRUDYDZTOLO-QGZVFWFLSA-N 384.524 2.811 0 40 GFAB NC[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 580190657 FZXPMWWTGQPITO-NZSAHSFTSA-N 379.504 2.936 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4ccco4)nc3[C@@H]2C)c1 585096326 IOBJEEPHYYYDQA-HNNXBMFYSA-N 378.432 2.932 0 40 GFAB Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)/C=C/CN(C)C)C2)ncn1 585291278 ANPJWAKIEZEGLZ-AHKGRUIUSA-N 394.523 2.823 0 40 GFAB O=C(Nc1ccc(Br)cc1)C1CCN([C@H](C(=O)O)C2CC2)CC1 635017599 USUYJRBTUTXPOW-HNNXBMFYSA-N 381.270 2.963 0 40 GFAB Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[C@H](C(=O)O)NC4)cc3)nc12 657219680 JRJXAVHVIOQQAL-NVXWUHKLSA-N 378.432 2.701 0 40 GFAB Cc1ccc(N(C)c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CC2)cc1 1693101230 BCOJDCJWACTJSJ-UHFFFAOYSA-N 397.504 2.994 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775968644 IVBLTCISVLFCCV-OAHLLOKOSA-N 388.420 2.613 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)N1CCC[C@H](COc2ncccn2)C1 1888890612 KZKKJZWUOYPPPN-AWEZNQCLSA-N 381.885 2.751 0 40 GFAB Cc1ccn(-c2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nn2)n1 1889147544 FBOLJBVODOPRGC-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB CCNc1nc(NCC)n2nc(SCC(=O)c3ccc(C)cc3C)nc2n1 622732 ZCOYJOXWHLIFJT-UHFFFAOYSA-N 385.497 2.975 0 40 GFAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 814069 RRVQGPGVRBYRSM-UHFFFAOYSA-N 388.917 2.618 0 40 GFAB O=C(c1nc(-c2ccncc2)no1)N1CCC(O)(c2ccc(Cl)cc2)CC1 12409132 RTEPGIDZPFTRKR-UHFFFAOYSA-N 384.823 2.909 0 40 GFAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 6914367 OVCBNISATGBHIX-UHFFFAOYSA-N 388.445 2.510 0 40 GFAB COC(=O)c1cc(CN(C)C(=O)Nc2nnc(-c3ccccn3)s2)oc1C 47790260 URQKFQPLWJSACC-UHFFFAOYSA-N 387.421 2.952 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCc2cc(-c3ccccc3)on2)ccc1Cl 7180075 USVQQDIWZSBRTD-UHFFFAOYSA-N 392.820 2.999 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccc(OC)cc2)c1 7294709 YRDUSVLIPRKRKW-UHFFFAOYSA-N 389.429 2.999 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccccc2OC)c1 8494787 JXEIVMOEBXZONL-GFCCVEGCSA-N 387.388 2.674 0 40 GFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(Br)c1 54530619 JVBCKRQCJYRSBA-UHFFFAOYSA-N 390.281 2.915 0 40 GFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]1c1ccncc1 24434568 RCRYGRHHGZHPJH-INIZCTEOSA-N 375.450 2.574 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(SC)c2)c1 12631283 IJZYZNZGOJYQAL-UHFFFAOYSA-N 395.458 2.783 0 40 GFAB COc1ccc(C(=O)NCC(=O)N(Cc2ccc(C)cc2)C2CC2)cc1OC 25293160 CQHKVUSOMXUMEK-UHFFFAOYSA-N 382.460 2.933 0 40 GFAB O=C(CN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1)N1CCCC1 35336382 KRVZGJKPDJRQFQ-UHFFFAOYSA-N 393.487 2.859 0 40 GFAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1ccc(F)c(F)c1 51316860 ZSYPKJDHFRRJDE-UHFFFAOYSA-N 387.371 2.536 0 40 GFAB COCCOc1cc(CN2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)ccc1OC 100216249 BYYOUFNRUSEXSY-IRXDYDNUSA-N 399.491 2.656 0 40 GFAB Cc1ccc(NC(=O)Nc2nncc(-c3ccccc3)n2)cc1NS(C)(=O)=O 58267308 HFJFTDQXWMHITA-UHFFFAOYSA-N 398.448 2.863 0 40 GFAB COc1ccc(C)cc1/C=C/C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 12787139 ZAUCMUXBTDIHPG-XETPZZHUSA-N 380.444 2.899 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccc2C)cc1 12787030 DRRBEBPRNZVUAG-UHFFFAOYSA-N 389.477 2.569 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccc(Cl)cc1 3332905 QBWFITGMYMNJBW-GFCCVEGCSA-N 389.839 2.966 0 40 GFAB COCc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)ccc2[nH]1 44902311 YGBNFGSJMWQUAZ-LBPRGKRZSA-N 382.395 2.840 0 40 GFAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 3346058 DPGFBWOMQKXNCO-QRQCRPRQSA-N 379.460 2.865 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)c3ccc4c(c3)OCCO4)C(=O)[C@@H]2C)cc1 3323629 IWLSRMPIGTZZKO-AWEZNQCLSA-N 380.400 2.806 0 40 GFAB CN1CCN(CCCCNC(=O)c2cc3cccc(Br)c3o2)CC1 58403594 XFMBZJVVBBBOFW-UHFFFAOYSA-N 394.313 2.953 0 40 GFAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)CC1 23717676 PNENCIPXXIQHBH-UHFFFAOYSA-N 387.505 2.538 0 40 GFAB Cc1noc(CCCC(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)n1 56479503 ORDCUIXFMHWKNC-UHFFFAOYSA-N 383.496 2.871 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 10008836 PLOGETQZEOXFLM-UHFFFAOYSA-N 388.367 2.874 0 40 GFAB C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 12851774 PREVFKCKQYHTAN-CYBMUJFWSA-N 390.484 2.883 0 40 GFAB Cn1ccnc1[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1F 29322232 PLAIHSLPNOKMCZ-AUUYWEPGSA-N 396.422 2.788 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CSc2nc3nc(C)cc(C)n3n2)c(C)c1 3466799 IULKLNIUMDJEII-UHFFFAOYSA-N 384.465 2.798 0 40 GFAB CCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 3473478 ONMOYPSBMCLOJC-UHFFFAOYSA-N 392.452 2.661 0 40 GFAB COc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 29600254 IVMGSLLVSGAVQX-OAHLLOKOSA-N 378.469 2.762 0 40 GFAB CNS(=O)(=O)c1cc(/C=C/C(=O)N[C@H](C)c2cccs2)ccc1OC 13098985 HRRUZXQOENUYNW-YPUOHESYSA-N 380.491 2.555 0 40 GFAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 5110543 AWKASGCBTYXZMB-UHFFFAOYSA-N 387.866 2.909 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1F 21698226 CSPYJYKBFXRVRN-FQEVSTJZSA-N 396.466 2.983 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 9112015 VKHYGCHEBIPEIF-LPHOPBHVSA-N 393.487 2.913 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1cccs1)OCC3 5347293 FMWAMCYPFDZTDS-IBGZPJMESA-N 393.468 2.887 0 40 GFAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5350989 XZLCDKKXRPUILZ-MRXNPFEDSA-N 397.452 2.623 0 40 GFAB NC(=O)[C@@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 14147826 NHEZHIHNQFGRQK-SFHVURJKSA-N 379.416 2.814 0 40 GFAB COc1ccc(Cl)cc1NCCC(=O)N(C)CC(=O)Nc1cc(C)on1 65858725 IEPBOOJLXRIVNX-UHFFFAOYSA-N 380.832 2.544 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)cc1 14349011 QTBUENFPRDGZNS-IBGZPJMESA-N 377.444 2.664 0 40 GFAB Cc1noc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)n1 24662024 GCLCCWGKMYMRSL-UHFFFAOYSA-N 394.497 2.952 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1 6626891 YORRJCWSVVMQGV-UHFFFAOYSA-N 394.518 2.662 0 40 GFAB COc1cc2c(cc1OC)CN1C(=S)N(CCc3ccccc3)C(=O)[C@@H]1C2 4761190 YMCFXHFTVLJARM-KRWDZBQOSA-N 382.485 2.800 0 40 GFAB Cc1cc(N2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)nc(C(C)C)n1 15032566 ICTGSMWPYKHQCM-UHFFFAOYSA-N 388.903 2.718 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)C13CC4CC(CC(C4)C1)C3)CS2 5875791 KEXVIZUUVIJBSQ-SJEHZWBNSA-N 377.506 2.769 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1N1CCOCC1 6909562 MMEZVNPDCYMVCF-UHFFFAOYSA-N 392.459 2.721 0 40 GFAB CCOC(=O)c1c(C)oc2nc(CSc3nnc4ccccn34)nc(N)c12 6984877 XKVYCAMNKKEDPY-UHFFFAOYSA-N 384.421 2.625 0 40 GFAB CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(OC)cc2OC)s1 9328674 UDKWMXMWIYCDCE-UHFFFAOYSA-N 378.454 2.865 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)C1=O 15858306 GBPQYSXJLXDKJB-NSHDSACASA-N 384.885 2.715 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1NC(C)=O)CC2 7895557 POJKMJXXBXGRHJ-UHFFFAOYSA-N 384.432 2.626 0 40 GFAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1 7985165 PNWHKICREWTDRA-UHFFFAOYSA-N 392.503 2.591 0 40 GFAB NC(=O)c1cc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)ccc1F 69205228 BTKBMYCVXSXJLT-CQSZACIVSA-N 385.317 2.799 0 40 GFAB C[C@@H](C(=O)NC1CCCCC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 8324004 XKAYZAPDDOCBIR-FPTDNZKUSA-N 383.492 2.780 0 40 GFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)cc1 17043463 XNDYOEBPNXWNSN-UHFFFAOYSA-N 389.458 2.773 0 40 GFAB Cc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 17077188 LVBUGIGARWHKME-UHFFFAOYSA-N 377.441 2.673 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 408603096 FFDKVPXRSSLDKB-OAHLLOKOSA-N 378.469 2.729 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC2CC2)c1 84146424 XJVVHMSMLMEJLD-HXUWFJFHSA-N 398.528 2.945 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NCc2nc(O)c3sccc3n2)cc1 22800437 SJEWRZYBCDJBRK-QGZVFWFLSA-N 384.505 2.868 0 40 GFAB COc1ccc(Cc2nnc3n(c2=O)N=C(c2ccc(C)cc2)CS3)cc1 27525629 CLKVJNKIAASKDA-UHFFFAOYSA-N 378.457 2.904 0 40 GFAB O=C(C1CC(F)(F)C1)N1Cc2ccnn2[C@H](CCOCc2ccncc2)C1 306127999 GNKHDFHJZUEYGZ-QGZVFWFLSA-N 376.407 2.814 0 40 GFAB O=C(N[C@H]1CCN(c2ncccc2F)C1)N1CC(Cc2ccc(F)c(F)c2)C1 547704492 JYDQCOLNUUHFSH-HNNXBMFYSA-N 390.409 2.962 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1c[nH]c(C)cc1=O 524732248 VIHDXGVWLCTADR-QGZVFWFLSA-N 381.432 2.746 0 40 GFAB biogenic CCN(CC)C(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)C)c(OC)c1 36612713 PIECIHLZJJJHGW-GOSISDBHSA-N 375.469 2.979 0 40 GFAB CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 72363055 GTMIRHFQSQOGEQ-OAHLLOKOSA-N 397.479 2.671 0 40 GFAB COc1ccc(-c2cnc(-n3ccc4c(cnc5ncnn54)c3=O)s2)cc1 38784098 BPVJOWPLQITBAF-UHFFFAOYSA-N 376.401 2.561 0 40 GFAB O=C(NCCCN1CCN(c2ccccc2)CC1)NCCOc1ccccc1 61135942 QBIJJBLZGYOOJM-UHFFFAOYSA-N 382.508 2.577 0 40 GFAB Nc1ccc2c(c1)C=NCCN2C(=O)c1cccc(I)c1 73642226 NYEBORZYYRSQBA-UHFFFAOYSA-N 391.212 2.953 0 40 GFAB c1ccc2sc(N3CCN(c4c5c(nc6ncnn46)CCC5)CC3)nc2c1 35314183 GLIOUCVSLCKRBP-UHFFFAOYSA-N 377.477 2.549 0 40 GFAB COc1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1OC 70928957 OJUMMEZFJUQUON-UHFFFAOYSA-N 384.480 2.815 0 40 GFAB COc1ccc(C)cc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)cc1 225165577 HESKSTOEKGDJQB-INIZCTEOSA-N 397.880 2.973 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCSCc2ccco2)ccc1Cl 224216089 PTIOZSXNNUHWRU-UHFFFAOYSA-N 389.882 2.931 0 40 GFAB CN(C(=O)Cc1ccc(-n2cnnc2)cc1)[C@H]1CCCN(c2ccccc2)C1 569686438 HPZPJMGJXFGFSA-NRFANRHFSA-N 375.476 2.937 0 40 GFAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 47462439 LQSBEBVRLFKPER-CQSZACIVSA-N 397.518 2.755 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCC(C)C 224103535 ZTJMSFQKHQNTNZ-UHFFFAOYSA-N 396.553 2.965 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1C 224087809 RINDECGBTZINLD-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccco1 225210052 GLPBYBAISOMUFW-UHFFFAOYSA-N 395.506 2.559 0 40 GFAB Cc1nn2c(=O)cc(CSc3nnnn3-c3ccc(C(C)C)cc3)nc2s1 44030238 SVUHCGFYLVZOKE-UHFFFAOYSA-N 399.505 2.851 0 40 GFAB O=C(/C=C/c1ccccc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 77196640 GNVHUISDOXPTHF-MDZDMXLPSA-N 386.459 2.850 0 40 GFAB O=C(O)c1cccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl 579064286 DKGVOXAQGXMVOP-UHFFFAOYSA-N 394.880 2.545 0 40 GFAB CN(C)C(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1cccc(Cl)c1)C2 96251157 ICGWCGNKOMVNGH-WIYYLYMNSA-N 399.926 2.689 0 40 GFAB CC(C)n1nnc(-c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2)n1 96231582 CVBZDSBBXHVOES-UHFFFAOYSA-N 375.436 2.738 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)ncc2C1 247975425 ZVKFOEPPHFFBAQ-KVPLUYHFSA-N 382.508 2.871 0 40 GFAB CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@@H]1CNC(=O)c2ccccc21 585123554 WXFWPAQLNONIMB-FOIQADDNSA-N 387.867 2.926 0 40 GFAB CCOCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 257297209 RGHZFLOFOZEXOY-ICSRJNTNSA-N 388.508 2.722 0 40 GFAB Cc1cccc(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)c1 260808101 FKRYNEIGXPLLJQ-OAHLLOKOSA-N 384.567 2.942 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N(C)Cc1ccc(C(=O)NC)cc1 25576077 OKADSRDUTZFQSU-OAHLLOKOSA-N 377.444 2.520 0 40 GFAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 625256684 ITLRKKSJMNUYSL-DZFGPLHGSA-N 383.536 2.690 0 40 GFAB Cc1nc2cc(O)nn2c(C)c1CC(=O)NCc1csc(C(F)(F)F)c1 629428110 YBWIAHBGLFBFRV-UHFFFAOYSA-N 384.383 2.991 0 40 GFAB Cc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1C1CCNCC1 647158589 SREFVVAQMJPXQW-UHFFFAOYSA-N 389.257 2.991 0 40 GFAB Cn1c(O)nc2cc(C(=O)N3CCC(CO)(Cc4ccccc4)CC3)ccc21 683519423 XJXGELZXNAJWOT-UHFFFAOYSA-N 379.460 2.736 0 40 GFAB CO[C@@](C)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 96393117 DCJWJJSWEFCAPV-IBGZPJMESA-N 390.823 2.685 0 40 GFAB Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)c1C 653327128 RASYJDOWHBSWBV-ZWKOTPCHSA-N 387.457 2.750 0 40 GFAB COC[C@H]1CC2(CCN(C(=O)c3ccnc(F)c3)CC2)CN1Cc1cccnc1 585103289 BHJPOOBGRBCKAV-LJQANCHMSA-N 398.482 2.759 0 40 GFAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(c4cncnc4)C3)nc2C)cc1 72355011 FMRCJESPUGWZEV-HNNXBMFYSA-N 390.447 2.830 0 40 GFAB C[C@@H](CNC(=O)c1ccc(F)cc1I)N1CCCC1 48128711 YAWKNMMZGDPIAJ-JTQLQIEISA-N 376.213 2.644 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCCN(CCn3nc(C)cc3C)CC2)s1 77100062 ZFISZKYWIHUXEQ-UHFFFAOYSA-N 396.582 2.520 0 40 GFAB COc1cccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)c1OC 5164123 RVWHDMPIEUDXSL-VBEVGYOXSA-N 391.452 2.886 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(F)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 5345027 QGOXTTHFVIUWDE-WCIQWLHISA-N 392.430 2.969 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 5549435 JJZCVXYGLUQVBJ-QGZVFWFLSA-N 396.443 2.616 0 40 GFAB C[C@@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc(Br)c1 5612124 BHFFLYJYELUQRN-ZYHUDNBSSA-N 378.338 2.843 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1SC 16188471 WYJIENDCNDFRLD-UHFFFAOYSA-N 398.481 2.815 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 17946113 ZTYSDMJKELDHFB-IBGZPJMESA-N 380.444 2.747 0 40 GFAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)c1ccnn1C 19220015 OEFBWVJCZSKCIW-GFCCVEGCSA-N 392.381 2.881 0 40 GFAB CCN(CC)CCN[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 19370537 VYYIHPCQSYJEOS-CQSZACIVSA-N 376.284 2.707 0 40 GFAB Cc1nn(C)cc1C(=O)N1CC[C@@H](n2nc(-c3cccs3)ccc2=O)[C@@H](C)C1 19583443 LXNKVZOOFFIRTA-SUMWQHHRSA-N 397.504 2.737 0 40 GFAB CNC(=O)c1[nH]c(C2CCN(Cc3ccnn3C)CC2)nc1-c1ccc(F)cc1 19698805 SUDSQLNVZYLKNA-UHFFFAOYSA-N 396.470 2.689 0 40 GFAB FC(F)(F)c1ccc(N2CCN(C3CCN(C[C@H]4CCCO4)CC3)CC2)nc1 252492116 MDEDNZUUOGHFAI-GOSISDBHSA-N 398.473 2.866 0 40 GFAB CCn1c(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21 19524339 ZKXYOESTMNYQCK-AWEZNQCLSA-N 380.423 2.865 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 5613615 HGOULOUILUVPKA-UHFFFAOYSA-N 389.473 2.937 0 40 GFAB O=C(c1nccc(C(F)(F)F)n1)N1CCN(C/C=C/c2ccccc2)CC1 1888863726 BUNYEUBMUBQQQE-QPJJXVBHSA-N 376.382 2.967 0 40 GFAB O=S(=O)(c1ccc(Br)cc1)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888888274 NADMAANOQLBTCT-CHWSQXEVSA-N 385.327 2.554 0 40 GFAB Cc1cc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n2ncnc2n1 1889149328 AAKYABRLDRZXBR-GXTWGEPZSA-N 389.385 2.562 0 40 GFAB COc1cccc2cc(C(=O)NC[C@@]3(O)CCCc4sccc43)c(=O)oc12 1889201439 VHZOJNTZKUUANU-FQEVSTJZSA-N 385.441 2.817 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2noc3ccccc23)c1C 19212123 MVRFQPWGBIXQLI-UHFFFAOYSA-N 387.461 2.876 0 40 GFAB COc1cccc2cc(C(=O)NCCN3Cc4cc(F)ccc4OCC3=O)oc12 238854108 JTGQOMGCFNRGLX-UHFFFAOYSA-N 398.390 2.732 0 40 GFAB Cc1ccc(Cn2nnc3c(SCC(=O)Nc4cc(C)on4)ncnc32)cc1 4166383 MSSHPIPVOFIGLP-UHFFFAOYSA-N 395.448 2.605 0 40 GFAB CSc1nc2ccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2s1 13789860 IOSFNOYSKNKQSM-JTQLQIEISA-N 385.536 2.628 0 40 GFAB COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1 26842439 FJPWFVPYZQPSOO-UYRXBGFRSA-N 390.464 2.572 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)c1 575619080 LSWUXUMEESOMES-OAQYLSRUSA-N 395.484 2.959 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148924 LASNVZRAHPYXSV-AWEZNQCLSA-N 393.486 2.648 0 40 GFAB O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c3cccc1c23 4661728 GOECTMAZBUEFPD-UHFFFAOYSA-N 393.468 2.916 0 40 GFAB COc1cccc(C(=O)OCC(=O)NCc2cccc(Br)c2)c1 51356722 OUUPGZBHTRIJLW-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)c2ccno2)C1 2332241462 QYKTUBPJGDEKOH-GVDBMIGSSA-N 395.463 2.941 0 40 GFAB COC(=O)CCCN(C)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 32744203 KPCVBFONNWUAGT-UHFFFAOYSA-N 381.432 2.939 0 40 GFAB CSc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4nccn4)cc3)CC2=O)cc1 32928148 BYQFXAGWSCFRIS-CQSZACIVSA-N 393.472 2.981 0 40 GFAB NC(=O)N[C@H](CC(=O)OCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 32903476 MQYWJPQIAXGJLD-OAHLLOKOSA-N 390.823 2.954 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2CCN(Cc3ccccc3F)CC2)n1 47096480 WJHJTYPDHIZKQD-MRXNPFEDSA-N 387.503 2.803 0 40 GFAB O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2ccncc2)CC1 1456744 LVTFQCZTNGCIOB-UHFFFAOYSA-N 375.428 2.598 0 40 GFAB C[S@@](=O)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1F 78974793 GFALWWQAHJVOOG-SANMLTNESA-N 377.441 2.623 0 40 GFAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl 1941465 NKFGQCJEYYQKHN-UHFFFAOYSA-N 386.791 2.508 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 802452 HPRLGGQNWKIRRO-HNNXBMFYSA-N 382.416 2.864 0 40 GFAB C[C@H]1Sc2ccc(C(=O)OCC(=O)Nc3cccnc3Cl)cc2NC1=O 8713424 QMOUJOAWZWMQPS-SECBINFHSA-N 391.836 2.963 0 40 GFAB Nc1nc(CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)nc2ccccc12 24498374 VQKAOJTUXZLEBG-UHFFFAOYSA-N 399.857 2.963 0 40 GFAB CCCS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 55259675 BYJIFJHHWXXJQX-NWDGAFQWSA-N 376.316 2.710 0 40 GFAB Cc1ccc([C@@H]2c3c(-c4ccc(F)cc4)nnc(O)c3Nc3nnnn32)cc1 9202026 GNUFMDHVJYNTBM-QGZVFWFLSA-N 375.367 2.978 0 40 GFAB Cc1noc(C)c1CC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 12599446 FQSMLIABRPIHTN-LJQANCHMSA-N 383.448 2.641 0 40 GFAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2ccncc2)CC1 57291163 UQQKCKGGPFJLDI-OAQYLSRUSA-N 381.476 2.597 0 40 GFAB Cn1ccnc1[C@H](NC(=O)NCc1nnc2ccccn12)c1ccc(Cl)cc1 48021812 ZZMLDRNCXFQPIZ-QGZVFWFLSA-N 395.854 2.705 0 40 GFAB CCNC(=O)COc1cccc(NC(=O)c2cncc(Br)c2)c1 27511444 LNPQXBQQHIJIJR-UHFFFAOYSA-N 378.226 2.611 0 40 GFAB COc1ccc([C@H]2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)cc1 27357162 FPSBSDGCZXUBBM-LJQANCHMSA-N 376.478 2.559 0 40 GFAB CSc1ncc(C(=O)NCCC(=O)Nc2ccncc2)n1-c1ccccc1 58327727 BKWLDRCPPCLISX-UHFFFAOYSA-N 381.461 2.748 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1Cl 12764444 QNXGQFLYDKLOOM-MRXNPFEDSA-N 378.881 2.510 0 40 GFAB CCN(CC)C(=O)CN(C)CC(=O)Nc1ccc(Br)cc1Cl 12787932 DBYIQABSKHDNRU-UHFFFAOYSA-N 390.709 2.841 0 40 GFAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O 3366971 XDUPZMMMNTWDHC-UHFFFAOYSA-N 395.415 2.864 0 40 GFAB COC(=O)c1nn(-c2ccccc2)cc1OCC(=O)N1CCc2ccccc21 3327246 FEWDCBUSIXHXKX-UHFFFAOYSA-N 377.400 2.627 0 40 GFAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(NC(=O)c2ccco2)c1 11181547 HVFHJZUVKMMYHF-UHFFFAOYSA-N 391.383 2.896 0 40 GFAB CCn1ncc([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c1C 36619329 RNGPDQGNFVZINC-LLVKDONJSA-N 393.451 2.948 0 40 GFAB COCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10314925 UAJBGIXIVOBQEK-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB C[C@H]1CN(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@@H](C)O1 48325535 BFCQCNFFTWESFD-UHIISALHSA-N 376.931 2.821 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cncn1-c1ccccc1 48325479 CSYANXOMLOYDJM-QGZVFWFLSA-N 382.489 2.737 0 40 GFAB CCN(CC(=O)NC(C)(C)C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 28012933 CGOINNJQFMOYDP-UHFFFAOYSA-N 386.496 2.549 0 40 GFAB C[C@H](OC(=O)[C@H]1COCCO1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 46313378 VBDUIIQJMKDQPF-WRWORJQWSA-N 382.627 2.932 0 40 GFAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)c1 12890355 GKACHRBYPGNKFO-ZHACJKMWSA-N 398.528 2.991 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)CSc1ccc(Cl)cc1 3491029 JPNOKANOYSOULJ-UHFFFAOYSA-N 384.866 2.774 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)NCc1coc(-c2cccs2)n1 12984147 KOIVBTCDINXGLP-UHFFFAOYSA-N 399.476 2.634 0 40 GFAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 12942867 NAKFXZPLRPPGSS-NEPJUHHUSA-N 384.548 2.813 0 40 GFAB COc1ccc(F)cc1CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13235106 FTTGUALNWKVQKO-QGZVFWFLSA-N 385.395 2.811 0 40 GFAB COc1ccc2cc(CN(C)C(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 3984964 AWJNEZPVABAVTA-UHFFFAOYSA-N 382.416 2.826 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3)CC2)c(C)c1 6236322 JFRIKHLOAAWVGR-PKNBQFBNSA-N 384.501 2.850 0 40 GFAB C[C@@H]1Oc2ccccc2N(CC(=O)NCCSCc2ccsc2)C1=O 14201666 PWHLWOGBEPNVFQ-ZDUSSCGKSA-N 376.503 2.912 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(C)cc2)cc1 4600219 UTSOPNMPWRURHZ-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB C[C@@H](CC(=O)N1CCOCC1)NCCSc1ccc(Br)cc1 6651093 QKVKSIVOVQEVTO-ZDUSSCGKSA-N 387.343 2.768 0 40 GFAB CC(C)CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 6951542 FCPKPDHHNHICPR-UHFFFAOYSA-N 386.823 2.897 0 40 GFAB Cc1ccc(CNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 15858584 RJSIXNDQPXOFAO-UHFFFAOYSA-N 386.473 2.628 0 40 GFAB Cc1oc2cc(OCC(=O)NC[C@H](C)O)ccc2c(=O)c1Oc1ccccc1 9530498 KUVGLGHYFIOFGF-ZDUSSCGKSA-N 383.400 2.770 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccccc1F 18237032 RGNXEPOLKWGXCC-IBGZPJMESA-N 380.423 2.585 0 40 GFAB COc1ccccc1C(=O)Nc1nc2nc(C)c(Cc3ccccc3)c(O)n2n1 18220017 XIBNPLMKXHAZMI-UHFFFAOYSA-N 389.415 2.990 0 40 GFAB CC(C)(C)NC(=O)NC(=O)CNc1ccccc1C(=O)NCc1ccccc1 8704455 VATGQIMYDWMRGL-UHFFFAOYSA-N 382.464 2.653 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cncn1-c1ccccc1 21962778 RRNVISOIZCWYAY-UHFFFAOYSA-N 376.460 2.981 0 40 GFAB NC(=O)[C@H]1CN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCO1 89800399 UAOWHKYOWZFFDL-SECBINFHSA-N 392.786 2.900 0 40 GFAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(=O)n(-c2ccccc2F)n1 89821295 VCZFERJMMFFXJZ-UHFFFAOYSA-N 377.335 2.674 0 40 GFAB COc1ccc([C@@]2(O)CC(C)=NN2C(=O)CCc2ccc3c(c2)OCO3)cc1 408563912 SDVLNVUEXLWVQL-NRFANRHFSA-N 382.416 2.810 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)ccc1OC 20024757 BXVXCMRBWAEXQI-LBPRGKRZSA-N 394.518 2.816 0 40 GFAB COc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC 30862454 CFVLTQCOQPZZMU-UHFFFAOYSA-N 398.868 2.659 0 40 GFAB COc1ccc(CCNC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 70636626 DFLLYVZESXCPOW-GOSISDBHSA-N 382.382 2.987 0 40 GFAB CC(C)Oc1cccc(CCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 219017806 GTCROZRKRFIMFV-BGYRXZFFSA-N 398.503 2.864 0 40 GFAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614660 PCNDGVLPHOZGGP-UHFFFAOYSA-N 396.900 2.504 0 40 GFAB COc1ccc(C)cc1C1(CNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)CCOCC1 566051705 VLXVABVOLATRKM-PIKOESSRSA-N 398.503 2.647 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2csc3ccccc23)cc1 225696756 YLTCCNRMQCZBMR-INIZCTEOSA-N 391.470 2.700 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 527750874 WJKZWJDYJDPPQE-GJZGRUSLSA-N 378.425 2.614 0 40 GFAB Cc1nc(CN2CCN(C(=O)C3(c4cc(F)cc(F)c4)CCCC3)CC2)n[nH]1 528600382 RXZXPIGDKZZTCX-UHFFFAOYSA-N 389.450 2.548 0 40 GFAB CCc1cc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)ccc1OC 223711180 ZAYONIZCKIDPFH-UHFFFAOYSA-N 395.477 2.762 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 223696899 PQGDMBVABANOSK-CVEARBPZSA-N 390.505 2.770 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225692904 HRIIQIJCIDTTDD-UHFFFAOYSA-N 392.502 2.960 0 40 GFAB Cn1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n(-c2ccccc2)c1=O 77146470 OVTHGBARDIPYIE-UHFFFAOYSA-N 394.450 2.659 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)c(C)cc21 223356195 HKBDRYOKKVNOTQ-UHFFFAOYSA-N 392.433 2.741 0 40 GFAB Cc1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 578121109 LYPGFKIZVXCXID-WMLDXEAASA-N 396.944 2.743 0 40 GFAB CCN(C)C(=O)c1ncn2c(C3CCN(C(=O)c4ccccc4)CC3)ccnc12 96155748 YIFNQLPORAJKCN-UHFFFAOYSA-N 391.475 2.841 0 40 GFAB COc1ccc(NC(=O)Cn2c(-c3ccncc3)nc(C)cc2=O)cc1Cl 90610168 AQQXQDCUDMTGDT-UHFFFAOYSA-N 384.823 2.914 0 40 GFAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccccc2F)(c2ccccc2)CC[C@@H]1O 257271850 NAAARFDMFHTBMC-FUDKSRODSA-N 398.478 2.933 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)N2C[C@H]3CC[C@H](Oc4cccnc4)[C@H]3C2)on1 257306997 SWVAVYYSVJPIOR-LJHODMEESA-N 393.447 2.708 0 40 GFAB CN([C@H](Cc1cccc(Br)c1)C(=O)O)S(=O)(=O)c1ccccc1 260680959 ZOSNYQHKGKBLOX-OAHLLOKOSA-N 398.278 2.766 0 40 GFAB CC[C@H](CO)N1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)CC1 612677769 CQNJZNWHURTDGF-LJQANCHMSA-N 392.503 2.863 0 40 GFAB CCc1cc(C(=O)Nc2cccc(N(C)C(=O)c3cc(CC)nn3C)c2)n(C)n1 636684374 GUTGTGZPHSTQSH-UHFFFAOYSA-N 394.479 2.807 0 40 GFAB COc1nn(C)cc1C(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96102965 KBABCFWROOJRIZ-UHFFFAOYSA-N 390.403 2.717 0 40 GFAB O=C1C(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C(=O)N1Cc1ccccc1 43568321 MUZQOSVEIMOSIP-UHFFFAOYSA-N 379.347 2.972 0 40 GFAB O=C(c1cncc(Br)c1)N1CCCSC[C@@H]1CN1CCCC1 79669193 SPHSLJVJQMDJJW-HNNXBMFYSA-N 384.343 2.888 0 40 GFAB COC(=O)N(C1=Cc2ccccc2S1(=O)=O)[C@@H](Cc1ccccc1)C(=O)O 1570005790 RKZZTIYKAAIRSR-HNNXBMFYSA-N 387.413 2.537 0 40 GFAB COc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)c(OC)c1 13569035 AETOYUSJGMHEOX-UHFFFAOYSA-N 385.508 2.823 0 40 GFAB CC[C@@H](C(=O)NCCCOC(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712565 MACQRFWAIVZNMC-INIZCTEOSA-N 390.933 2.816 0 40 GFAB O=C(NCCSCc1cccs1)c1ccc(S(=O)(=O)NC2CC2)cc1 18109840 IWECWQIVRYJNCZ-UHFFFAOYSA-N 396.559 2.852 0 40 GFAB O=C(c1ccc(F)cc1)N1CCCc2cc([C@@H](O)CN3CCOCC3)ccc21 19332053 ISLOZJLDGBVWKL-NRFANRHFSA-N 384.451 2.784 0 40 GFAB COc1ccc(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c(OC)c1 19551960 VKFYIGYLOJAWQR-SFHVURJKSA-N 382.464 2.507 0 40 GFAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cnc(N4CCCCC4)nc3C)C2)cc1 19714782 WRYCQZIUFGQQBO-JOCHJYFZSA-N 380.492 2.817 0 40 GFAB CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc2ccccc21 19716048 QMTXLALFQXTUBJ-OAHLLOKOSA-N 387.509 2.919 0 40 GFAB O=C(CCCn1cncn1)N1Cc2cc(Cl)ccc2OC2(CCOCC2)C1 12122017 BUGUZTCMRRRUJF-UHFFFAOYSA-N 390.871 2.682 0 40 GFAB COc1ccc2c(c1)CN(C(C)=O)C[C@@]1(CCCN(C[C@H]3CCOC3)CC1)O2 247973004 YYIHRCSCLJKSPA-GCJKJVERSA-N 388.508 2.697 0 40 GFAB CCn1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(=O)c2ccc(C)nc21 1364957 GXYCLOZCJAZODW-UHFFFAOYSA-N 392.459 2.814 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1c(Cl)cccc1Cl 3508503 PNPHYPYFHBITMK-UHFFFAOYSA-N 381.215 2.905 0 40 GFAB CCc1cc(N2CCN(c3nc(C)nc4cnccc34)CC2)nc(SC)n1 1888901116 UHBDEANZEFXUOZ-UHFFFAOYSA-N 381.509 2.734 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2N2CCOCC2)cc1 15039129 CFJPEZZWVHWDBB-QGZVFWFLSA-N 383.492 2.991 0 40 GFAB CN(C1CCN(c2cnc3cc(Cl)ccc3n2)CC1)S(=O)(=O)C1CC1 2087148620 VJLWMWMBRNPAAE-UHFFFAOYSA-N 380.901 2.676 0 40 GFAB COc1ccc(-n2nnc3c(SCC(=O)N4CCC(C)CC4)ncnc32)cc1 4166739 CJXIYBQJFIIFQE-UHFFFAOYSA-N 398.492 2.570 0 40 GFAB CC(C)c1cc(C(=O)N2CCC(C(N)=O)CC2)nn1-c1nc2ccccc2s1 12223599 UNQIQDDCOUTSPU-UHFFFAOYSA-N 397.504 2.943 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(C)cc2)C(=O)N1 100893578 ANISBDRBBPAZEJ-POAQFYNOSA-N 387.457 2.558 0 40 GFAB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cnccn1 38565067 ANNRVHJMRZBXFT-MRXNPFEDSA-N 391.449 2.622 0 40 GFAB O=S(=O)(NC[C@@H](c1ccco1)n1cccn1)c1ccccc1Br 575614398 RMEZYMIUJKVUSG-ZDUSSCGKSA-N 396.266 2.807 0 40 GFAB C[C@@](O)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccsc1 952965248 VVRYLUHPNLTDBQ-AWEZNQCLSA-N 395.424 2.919 0 40 GFAB O=C(COc1ccc(Br)cc1)NCc1nncn1-c1ccccc1 40088159 IISHAPZGDPLQGB-UHFFFAOYSA-N 387.237 2.725 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 100033389 ACCQGHIXOMPUAC-SJORKVTESA-N 397.822 2.580 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)n1 40267644 WTRLFWIQDMXXJU-UHFFFAOYSA-N 391.353 2.703 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(c1)CCC(=O)N3)CC2 31239742 YKELATFKNUFMHO-UHFFFAOYSA-N 396.443 2.552 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cc1C 51292016 ARFRQZGRBRHZER-OAHLLOKOSA-N 390.509 2.631 0 40 GFAB Cc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cnn1-c1ccccc1 32195056 KPGSJBXHVSMRQD-UHFFFAOYSA-N 382.508 2.946 0 40 GFAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc(OC)c1O 20739081 GZRITFOETMAEBG-GFCCVEGCSA-N 381.392 2.817 0 40 GFAB O=C(NCc1ccc(-n2cccn2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 32925661 VZOKMKWCHUZWCR-HXUWFJFHSA-N 390.443 2.920 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 102724104 IOEZGSHYJHJOKX-AJHHTPGJSA-N 378.513 2.787 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)c1csc(Cc2ccccc2)n1 33017482 XRVKSCKKTZWYAU-UHFFFAOYSA-N 394.500 2.896 0 40 GFAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(OC)ccc1OC 815869 MBJVNQXREIQHOO-UHFFFAOYSA-N 375.421 2.627 0 40 GFAB O=c1c(Cl)c(N2CCOCC2)cnn1-c1ncc(C(F)(F)F)cc1Cl 1388966 XLSXCSSBAYFURS-UHFFFAOYSA-N 395.168 2.790 0 40 GFAB O=C1c2ccccc2S(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c21 1579117 SGPJAOYSULZJMJ-UHFFFAOYSA-N 384.434 2.897 0 40 GFAB COCCNC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 2303655 QFXHZHCAPHEMMA-UHFFFAOYSA-N 379.395 2.671 0 40 GFAB Cc1cc(C(=O)NCCNC(=S)Nc2ccc(Cl)c(Cl)c2)nn1C 2740998 OKARXNXDIRZYQG-UHFFFAOYSA-N 386.308 2.752 0 40 GFAB Cc1c(NS(=O)(=O)c2ccc(Cl)c(N)c2)c(=O)n(-c2ccccc2)n1C 3885612 DRTZBJPBSWFRIC-UHFFFAOYSA-N 392.868 2.521 0 40 GFAB CCC[C@@H]1O[P@@](=O)(N(CCOC(C)=O)CCOC(C)=O)OC[C@@H]1CC 4429769 OBBOKOIRFWDVHH-DUOCMMSMSA-N 379.390 2.764 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 4863149 XIKVBMYVPJXHPI-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB CCCc1cc(=O)n(CC(=O)Nc2cccc(OC)c2)c(-n2nc(C)cc2C)n1 5254714 STDXVBCHTNTZAS-UHFFFAOYSA-N 395.463 2.646 0 40 GFAB CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cccs1 5937931 RTXOLOAMSGGMLB-UHFFFAOYSA-N 392.546 2.850 0 40 GFAB CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(OCC)c1 6207470 UUZTVPAYHCEABB-MHWRWJLKSA-N 384.388 2.739 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N=c1[nH]c2ccccc2[nH]1 6664216 ULSNTLFFETZXMO-UHFFFAOYSA-N 375.384 2.597 0 40 GFAB COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1 6752897 QEMJWJDMNAUYMH-HXUWFJFHSA-N 379.416 2.719 0 40 GFAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 6951450 CDPPNNVWAPRPEN-MHWRWJLKSA-N 396.399 2.885 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1Cl 7459181 PPXMBQQFYHFYBO-UHFFFAOYSA-N 387.798 2.964 0 40 GFAB COc1ccc(CN(C(=O)Cn2cnc3cc(F)ccc3c2=O)C2CC2)cc1 8328301 ZGYYNFKAUURSBT-UHFFFAOYSA-N 381.407 2.735 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 8345129 GNHPDPFCCMTGDB-HNNXBMFYSA-N 387.461 2.958 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2cccs2)C1=O 8891481 MZZSYFOEDRJYNQ-HXPMCKFVSA-N 389.452 2.922 0 40 GFAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2)n2nnnc2N3)cc1 10295708 PIBZDSCEPXWROY-SFHVURJKSA-N 387.403 2.929 0 40 GFAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n(C(C)C)n1 11695213 NHXOJSCNKQUNDP-INIZCTEOSA-N 390.509 2.812 0 40 GFAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3cc(C(C)C)no3)n2)cc1 12144970 KNDBLCMFSBAHJB-AWEZNQCLSA-N 396.447 2.849 0 40 GFAB COc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cnc(OC)nc2OC)c1 12181004 GDLZXWLUADCOAV-AQKKSAQBSA-N 399.491 2.622 0 40 GFAB CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)no1 12276636 HIAHIJNAODDOFZ-MRXNPFEDSA-N 378.436 2.928 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)n1nc(-c2cc(C)oc2C)cc(N)c1=O 12291681 SUEPCOCJHYEFGB-CYBMUJFWSA-N 396.447 2.588 0 40 GFAB COc1ccc(C(=O)OCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)cn1 12808002 XQDDVAXZFXATRX-UHFFFAOYSA-N 386.799 2.611 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)c3cnn(C)c3)c2-c2cccs2)on1 13226751 QGIKIQIVEODJEX-UHFFFAOYSA-N 382.449 2.739 0 40 GFAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NC1CCC(O)CC1 14240696 RNLDGHDGWZFMSP-AJTFCVKESA-N 382.504 2.943 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(S(C)(=O)=O)cc1 15359038 VJEJBQURYSMOFN-CYBMUJFWSA-N 379.503 2.618 0 40 GFAB CCCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)cc2)cc1 15741391 PQLOUQSAULCOGN-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB Cc1c(NS(=O)(=O)c2cc(F)cc(F)c2)c(=O)n(-c2ccccc2)n1C 16099521 YEXFUQNCLPGZAV-UHFFFAOYSA-N 379.388 2.563 0 40 GFAB Cc1ccccc1C(=O)N1CCC(C(=O)OCc2ccc(C(N)=O)cc2)CC1 16562057 XQMSVMBSCCMTHO-UHFFFAOYSA-N 380.444 2.690 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 17028185 AWRCHDCQFCISQQ-HNNXBMFYSA-N 387.823 2.942 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@@H]3CCCO3)C1)N2 19127691 JHOCBHMYDUQRFN-YHUYYLMFSA-N 382.455 2.990 0 40 GFAB Cc1ccc(-c2nnc(C3CCN(C(=O)Cn4nc(C)c(C)c4C)CC3)o2)cn1 19215232 XKOZAESOJVGAQS-UHFFFAOYSA-N 394.479 2.968 0 40 GFAB COc1cc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)cc(OC)c1OC 19289369 PROLCZMSZWPXAM-HNNXBMFYSA-N 397.479 2.769 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)c4nonc4C)CC3)nc2cc1OC 19558719 KREFTVUTYFCBHJ-UHFFFAOYSA-N 397.435 2.545 0 40 GFAB CNc1cc([C@@H](Cc2ccccc2)NC(=O)COC)nc(-c2cccnc2)n1 19592147 YTEZPLZTZJHBSW-QGZVFWFLSA-N 377.448 2.627 0 40 GFAB CCn1c(=O)n(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc21 23741843 DNSYXAHJSBQPNZ-OAQYLSRUSA-N 392.503 2.776 0 40 GFAB Cc1cccc(N2CCN(C(=O)CCc3c(C)[nH]c(=S)[nH]c3=O)CC2)c1C 24060092 OFRDGLAOUTZISY-UHFFFAOYSA-N 386.521 2.639 0 40 GFAB O=C(Nc1ccccc1C(=O)NCCc1nnc2ccccn12)c1ccco1 24153586 ZUYCWTDBPUOQHF-UHFFFAOYSA-N 375.388 2.547 0 40 GFAB CCn1cnnc1SCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 24175321 IUAVTEBYYCXHGX-KRWDZBQOSA-N 376.482 2.675 0 40 GFAB COCc1c(C(=O)NCC(=O)NCc2ccco2)sc2cccc(F)c12 24181237 YIWGUGVEWPAMID-UHFFFAOYSA-N 376.409 2.826 0 40 GFAB NC(=O)Nc1cccc(C(=O)OCC(=O)NCC2(c3ccccc3)CCC2)c1 24331055 XTNJYBMTBDSRRY-UHFFFAOYSA-N 381.432 2.572 0 40 GFAB CN1CCN(c2ccc(NC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1 24699066 ATYKDAHLWKYIIT-UHFFFAOYSA-N 381.476 2.781 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 25664183 KLUYNRZATSZJPH-NRFANRHFSA-N 397.494 2.925 0 40 GFAB CN(C)c1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cn1 32278133 HSBDKWBEDCTHCF-UHFFFAOYSA-N 378.226 2.934 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 32455705 JEFUXMXEVPYULU-UHFFFAOYSA-N 376.482 2.510 0 40 GFAB NC(=O)CCN(Cc1ccccc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 32900867 JAYVWTVWLVAGBS-IFMALSPDSA-N 382.504 2.819 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cn1 32903185 DVERTQQLMZGRRH-UHFFFAOYSA-N 385.367 2.793 0 40 GFAB CCC(=O)N1CCCC[C@@H]1C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 40151828 BCQDTDTZWVBWHD-LJQANCHMSA-N 397.475 2.630 0 40 GFAB Cc1nnc(NC(=O)c2nn(C)c(NC(=O)c3ccccc3Cl)c2F)s1 41070646 KJCBRECAHPSRDY-UHFFFAOYSA-N 394.819 2.877 0 40 GFAB Cc1noc(C)c1CC(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1 48509042 ZIQYGQHALLJTSI-UHFFFAOYSA-N 395.415 2.853 0 40 GFAB CCN(CC)C(=O)c1cnc(N(C)C)nc1-c1ccc(CNC(=O)C2CC2)cc1 57774255 VKHSIEAVDUFYJC-UHFFFAOYSA-N 395.507 2.718 0 40 GFAB Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1N1CCOCC1 58155929 OTVBYQUUDJYQBX-UHFFFAOYSA-N 380.897 2.964 0 40 GFAB Cc1ccc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 58162260 BOZLQYFFOAVARC-UHFFFAOYSA-N 377.857 2.640 0 40 GFAB CN(C)C(=O)c1cccc(CN2CCN(C(=O)CCc3ccccc3)CC2)c1 58297258 VVOXXTYQPJFGBB-UHFFFAOYSA-N 379.504 2.665 0 40 GFAB Cc1nccn1CCCC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 58356755 OLODBPJDEFOBJT-KBPBESRZSA-N 377.514 2.676 0 40 GFAB COCCOC(=O)Nc1cccc(NCC(=O)N2CCc3ccccc3C2)c1 60089574 QSWQLXCKWVRNMU-UHFFFAOYSA-N 383.448 2.878 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccc(C(N)=O)cc1 70666273 XVEXVBZHSISJCW-UHFFFAOYSA-N 380.400 2.780 0 40 GFAB biogenic CCOC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 70926684 LGLJLGIVVNVTKU-MRXNPFEDSA-N 382.526 2.606 0 40 GFAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)nc2)n1 71768347 DOJCZWLPSYUTKK-UHFFFAOYSA-N 392.394 2.949 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 72354074 XZAQFFLCRDMQJY-LJQANCHMSA-N 383.467 2.962 0 40 GFAB CCOC(=O)CN1CCC[C@@H](OC(=O)[C@@H](C)Oc2ccc(SC)cc2)C1 78989097 MVQFRZHPBMEPSX-GDBMZVCRSA-N 381.494 2.747 0 40 GFAB COC(=O)c1c(C)cccc1S(=O)(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 84213348 TXINEIAQKYVHBQ-UHFFFAOYSA-N 399.472 2.992 0 40 GFAB O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 84536000 MWJQWEJSDQAKFH-UXHICEINSA-N 395.503 2.799 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)cc1C 90611530 GRUDEUVGSUDWBE-FQEVSTJZSA-N 375.490 2.592 0 40 GFAB CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(C(=O)NC1CCCC1)CC2 96260454 BLMUUARLMPPEIP-UHFFFAOYSA-N 387.528 2.657 0 40 GFAB O=C(N[C@@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1)c1ccccn1 98211794 OODFZZOJXCDIEK-QGZVFWFLSA-N 384.443 2.800 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1cccc2cccnc12 100279894 JNZQRBWGCFZPOE-XNCJAFBWSA-N 388.423 2.583 0 40 GFAB COc1ccccc1N(CCCC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 113967721 YQGKASRSZVKWSK-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB COc1ccc(C)cc1NC(=O)COc1c(OC)cc(C(=O)O)cc1OC 217733796 OHOGNAWKCLCICF-UHFFFAOYSA-N 375.377 2.737 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219724757 KCSZPHNOHPTNDN-MRXNPFEDSA-N 390.505 2.973 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 222630729 VDJNKWBHJMRARZ-OAHLLOKOSA-N 388.489 2.730 0 40 GFAB COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225095753 XITRVSOJKBBAKW-UHFFFAOYSA-N 381.425 2.819 0 40 GFAB CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 226073409 ZDSUKAAORZRAKC-UHFFFAOYSA-N 391.331 2.622 0 40 GFAB O=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 238877266 OJGKOJWFVTUSDY-UHFFFAOYSA-N 399.863 2.932 0 40 GFAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254612352 QJPCKAJTLHDNCS-XTIJIIPQSA-N 390.520 2.719 0 40 GFAB CCc1noc(C)c1C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1 257220782 DMCLMVXGFAGTGG-QSFXBCCZSA-N 398.463 2.582 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1cccc(Cl)c1 257316632 VGJXPZBSNYXZTR-MJGOQNOKSA-N 377.916 2.850 0 40 GFAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408596786 SFPDCCFHBYFOTE-NEPJUHHUSA-N 376.906 2.710 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCC2)cc1C 408607566 NEJSQGQTPGSMEI-HNNXBMFYSA-N 382.526 2.900 0 40 GFAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(C2CCOCC2)c1 529938965 OOHMTYOLUZCZOT-UHFFFAOYSA-N 380.492 2.736 0 40 GFAB Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](Oc2ccccc2)C1 577750761 WFZWCYCMDLKFFR-KRWDZBQOSA-N 398.488 2.543 0 40 GFAB CC(C)c1ccc(-n2ccnc2S(=O)(=O)Cc2nnn(C(C)(C)C)n2)cc1 585090641 HMUFIFCVCSSPCL-UHFFFAOYSA-N 388.497 2.711 0 40 GFAB COc1ccc(CN2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 585100262 JDRQVBWUEDYOCU-HSZRJFAPSA-N 399.535 2.665 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c(F)c1F 629303748 BJZVYHCSMHYCCV-KGLIPLIRSA-N 381.400 2.762 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@H]3C[C@H](C(=O)O)c4ccccc43)c(O)nc2C1 653330346 DOLWBURTNCZNDF-BBRMVZONSA-N 394.427 2.985 0 40 GFAB c1cc(-c2ccc(N3CCN(c4ncnc5ccsc45)CC3)nn2)ccn1 1775973218 KHFYHCUUNSTGFK-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB FC(F)(F)c1cccc(N2CCN(C3CCN(C[C@H]4CCCO4)CC3)CC2)n1 1888856770 LJRCBIOENBYRDT-QGZVFWFLSA-N 398.473 2.866 0 40 GFAB CC(C)c1ccc(OCC(=O)NCC2(N3CCSCC3)CCOCC2)cc1 1888859906 PECQNVNREIRMAG-UHFFFAOYSA-N 392.565 2.903 0 40 GFAB O=C1OC2(CCN(S(=O)(=O)C3CCCCC3)CC2)C(=O)N1c1ccccc1 1888932232 BGUHRFXBQGKLSH-UHFFFAOYSA-N 392.477 2.667 0 40 GFAB CC(C)(C)NC(=O)Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21 1442045 VXDNOJZVVGKPNW-UHFFFAOYSA-N 385.489 2.925 0 40 GFAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(CC4CCCCC4)[nH]n3)cc12 79106540 DRSGCNQJSVGDTB-UHFFFAOYSA-N 388.497 2.923 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2OC)c1 3020426 NBWCPWWMRSUSSN-UHFFFAOYSA-N 394.468 2.795 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3463880 GVAFAXRWNKWDSR-FQEVSTJZSA-N 383.835 2.980 0 40 GFAB Cc1cccc(OCCNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 42301018 VKISMEPLRRQHNH-UHFFFAOYSA-N 381.432 2.845 0 40 GFAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 23055292 ZGJULCRJNCFHHC-UHFFFAOYSA-N 384.310 2.710 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1C(C)C 4879320 MQKTZHCDCXQNHP-UHFFFAOYSA-N 376.482 2.981 0 40 GFAB Cc1ccc(C)c(NC(=O)COc2cccc([C@@H]3CC(=O)Nc4ncnn43)c2)c1 6282009 JAPHOSFYANFWSB-SFHVURJKSA-N 391.431 2.844 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1 7107962 ICTLYOOJLXGMHZ-UHFFFAOYSA-N 392.814 2.905 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)C2)cc1 100359051 DWOBIUSWWAXKKO-VXIBKDFQSA-N 376.522 2.701 0 40 GFAB CC[C@@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(OC)cc1 23649842 HWCRKCHSSRTBDT-QGZVFWFLSA-N 387.480 2.907 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 24443765 QHTVKVSVYHWZHK-HXUWFJFHSA-N 386.517 2.674 0 40 GFAB O=C(NCCO)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 8476826 VSDAEUSSUQHUTL-UHFFFAOYSA-N 377.231 2.963 0 40 GFAB Cc1nn(Cc2noc(C(=O)NCc3cccs3)n2)c(C)c1Br 1432694 USOMOIZLMKVTDW-UHFFFAOYSA-N 396.270 2.685 0 40 GFAB O=C(CCC(=O)N1CCOCC1)Nc1ccc(-c2cn3ccsc3n2)cc1 12541484 YOBCYKNWBDYAAF-UHFFFAOYSA-N 384.461 2.640 0 40 GFAB Nc1nc2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2s1 9575806 UZLPBNJOQRSMGP-UHFFFAOYSA-N 380.351 2.664 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1 12563559 LDUBTQIFVBGAMK-ZDUSSCGKSA-N 380.448 2.993 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccccc1OC(C)C 57118194 GJBGPVBETYBZFN-UHFFFAOYSA-N 379.434 2.910 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F 57472319 RNDWIUDGAWNUTN-UHFFFAOYSA-N 378.350 2.610 0 40 GFAB CCCC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2097891 YOLYINFGKPLKAG-INIZCTEOSA-N 375.421 2.802 0 40 GFAB biogenic COc1ccc(Cn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc1OC 2091270 PQTBJKIPVGUVHL-UHFFFAOYSA-N 395.415 2.961 0 40 GFAB biogenic CCOc1ccccc1NC(=O)[C@H](N[C@H]1CCS(=O)(=O)C1)c1ccccc1 58137310 HVYKZJYSRBKBDL-QFBILLFUSA-N 388.489 2.542 0 40 GFAB NC(=O)c1ccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12781711 WURBQNQYNBXTTE-UHFFFAOYSA-N 380.444 2.652 0 40 GFAB Cc1c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cnn1-c1ccc(O)nn1 28414729 DGKURTLICBLPGP-UHFFFAOYSA-N 389.362 2.550 0 40 GFAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)NC[C@H]1CCCO1 12779534 VVDIOEOQXRNYEV-AUUYWEPGSA-N 394.427 2.836 0 40 GFAB O=C1c2ccccc2C(=O)N1CCn1cnc2sc3c(c2c1=O)CCSC3 12739372 ISHDEJXYJPTQDY-UHFFFAOYSA-N 397.481 2.544 0 40 GFAB C[C@H](NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3376640 VXNAZNKGLYIHDI-AWEZNQCLSA-N 393.534 2.649 0 40 GFAB Cc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1 11615473 ZSIMJJSXSMHWTJ-UHFFFAOYSA-N 388.474 2.596 0 40 GFAB COCCn1cnnc1SCC(=O)Nc1ccc(Br)cc1F 3351303 NKIYUARHPKGJLY-UHFFFAOYSA-N 389.250 2.557 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)s1 12921250 OPEVQKJPIQIVEV-NSHDSACASA-N 394.522 2.700 0 40 GFAB Cc1c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)oc2ccc(F)cc12 8936416 FCBPGSHUJROVCV-UHFFFAOYSA-N 376.409 2.599 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N1CCc2ccccc2C1 9074685 HZYQZOZAHLMRNX-CYBMUJFWSA-N 396.468 2.861 0 40 GFAB COc1ccc(CCNC(=O)CCCC(=O)NCc2ccccc2)cc1OC 6170744 WICBANMBXYNSTD-UHFFFAOYSA-N 384.476 2.849 0 40 GFAB COc1cc(CNCC2(N3CCCCC3)CCCCC2)ccc1OCC(N)=O 39793245 HTNYZPQGPUDYEN-UHFFFAOYSA-N 389.540 2.838 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(-n2cnnn2)cc1 5103105 LUNILEZIGNCVDV-ZDUSSCGKSA-N 375.388 2.880 0 40 GFAB CCCCN1C[C@H](C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)CC1=O 9698844 DFFJUAWROGECTA-CQSZACIVSA-N 388.493 2.725 0 40 GFAB CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 5324374 VZWOAZGWAMPLAZ-SJORKVTESA-N 390.480 2.964 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2C1=O 4524265 BEQUVLFNCRRVCR-UHFFFAOYSA-N 395.411 2.667 0 40 GFAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 408553122 OAXPNWGGSLOXPE-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCCN(C)C3)c2)C1 5413638 BOOCVYNAIUOAHD-JFIYKMOQSA-N 394.537 2.604 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1)c1cccs1 6882390 SDYQLHXRSRVSBI-UHFFFAOYSA-N 393.472 2.753 0 40 GFAB Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C(=O)N1CCOCC1 408600305 AAGJKUHHRBTAHG-UHFFFAOYSA-N 394.537 2.859 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc3c(c2)OCO3)cc1 67198616 GQCFDLFSWGZHDF-UHFFFAOYSA-N 393.399 2.595 0 40 GFAB COc1ccc(N(CC(F)(F)F)C(=O)Cn2nnc(-c3ccccc3)n2)cc1 24879843 CLCTVZKCSKGQLU-UHFFFAOYSA-N 391.353 2.944 0 40 GFAB COc1ccc(CCNC(=O)c2n[nH]nc2Nc2ccccc2F)cc1OC 67283817 INBVLKRHCQCHEG-UHFFFAOYSA-N 385.399 2.677 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 67287227 KBKMLECJCADAPR-GOSISDBHSA-N 375.444 2.729 0 40 GFAB COCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 22275037 YRGZTOLLSXEARW-UHFFFAOYSA-N 396.896 2.606 0 40 GFAB CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CCO1 68079281 SWFKLAWDUNLDNU-UKRRQHHQSA-N 382.407 2.530 0 40 GFAB CN1c2ccccc2C2(CCN(Cc3ccc4c(c3)OCO4)CC2)S1(=O)=O 306138731 SFXNONWGJJRXBU-UHFFFAOYSA-N 386.473 2.686 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 8355394 MAXCDLDTZRVXAV-LBPRGKRZSA-N 376.840 2.964 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1 8515164 GCKMUXCKHIQNQZ-HNNXBMFYSA-N 396.534 2.641 0 40 GFAB Cc1sc2ncn(CC(=O)NCCCOc3ccccc3F)c(=O)c2c1C 8718833 ZCZXIPXFRGGZDE-UHFFFAOYSA-N 389.452 2.799 0 40 GFAB O=C(CCSc1ccc(Br)cc1)NC[C@]1(O)CCSC1 84419287 YVXXQKNPUHQLRL-CQSZACIVSA-N 376.341 2.916 0 40 GFAB Cc1cccn2c(=O)cc(CN(C)C3CCN(CCc4ccncc4)CC3)nc12 95459789 PFVMGHXYRLMUHR-UHFFFAOYSA-N 391.519 2.537 0 40 GFAB O=C(O)c1cccn1C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 95970565 VMCKPJFQUXEFAE-UHFFFAOYSA-N 378.432 2.908 0 40 GFAB CN(C)S(=O)(=O)c1ccc2nnc(SCc3cccc(Cl)c3)n2c1 95944720 NFMSVRTYEVSOJP-UHFFFAOYSA-N 382.898 2.925 0 40 GFAB Cc1nc2sccn2c1CN(C)C(=O)CN1CCCc2sccc2C1=O 89547741 OUKPSZAIHNZZAK-UHFFFAOYSA-N 388.518 2.813 0 40 GFAB CC(C)c1n[nH]c(C(=O)NC[C@]2(O)CCc3ccccc32)c1Br 89891122 MZZCYCGGNSOBKG-QGZVFWFLSA-N 378.270 2.859 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NC1CCCCC1 408563157 UJAKYXIUOTZDJY-UHFFFAOYSA-N 394.537 2.997 0 40 GFAB Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cn(-c2cccnc2)nn1 519578310 AWOAKJVEYVAVRO-QGZVFWFLSA-N 387.447 2.625 0 40 GFAB O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1ccc(Cn2ccnn2)cc1 529426136 FYXCMOIBYPVHJC-UHFFFAOYSA-N 394.450 2.987 0 40 GFAB CNC(=O)c1cccc(CNC(=O)c2cc(OCCOC)c3ccccc3n2)c1 534641150 JNHXUSJEMZPYGO-UHFFFAOYSA-N 393.443 2.550 0 40 GFAB Cc1c(C(=O)N2CCc3nnc([C@H]4CCCCN4)n3CC2)oc2ccccc12 72372817 XEQUBSIZCNWILX-MRXNPFEDSA-N 379.464 2.846 0 40 GFAB CCc1ccc2[nH]c3nc(SCC(=O)Nc4nnc(C)s4)nnc3c2c1 35312637 XISMMJZSJCWIHY-UHFFFAOYSA-N 385.478 2.959 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1Cl 223830150 OGNBMNOGWSONHZ-UHFFFAOYSA-N 382.825 2.886 0 40 GFAB O=C(O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl 569250660 CQYSDBHGUPNEBC-UHFFFAOYSA-N 394.880 2.545 0 40 GFAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCO)c2ccccc2)cc1 223554026 SDHMZEXBSGITTM-HXUWFJFHSA-N 384.476 2.530 0 40 GFAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(OC)c(C)c1 222860182 MUGBZAYPCXYUAP-QGZVFWFLSA-N 382.526 2.633 0 40 GFAB COc1ccccc1N(CCCC(=O)NCCc1ccccc1)S(C)(=O)=O 222576344 RZQAMMUYYOWWCS-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)c1 229951388 AOWIXFQNVGMGPM-XSDHEKCYSA-N 377.437 2.638 0 40 GFAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223303152 FUPIZKCEEWRMFZ-IPELMVKDSA-N 386.521 2.681 0 40 GFAB CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)O1 585083047 ZSAKXYYIQNAGPP-DLBZAZTESA-N 396.422 2.943 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)N(C)CCc2ccncc2)[C@@H]1c1ccccc1OC 257218324 DCSCZUVEUOKBPP-NQIIRXRSSA-N 381.476 2.701 0 40 GFAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(-c2cnc(N)nc2)n1 257308861 TYMQBFZJQAYOON-TUXJCPBXSA-N 392.507 2.598 0 40 GFAB C[C@H](OC(=O)[C@H](C)OC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)O 252012287 STRXWPMOCADHPH-ILXRZTDVSA-N 398.411 2.969 0 40 GFAB Nc1nc(CC(=O)Nc2ccc(CCNC[C@@H](O)c3ccccc3)cc2)cs1 44136504 PBAPPPCECJKMCM-LJQANCHMSA-N 396.516 2.772 0 40 GFAB biogenic,in-vitro CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C1CCN(OC)CC1 631655010 LURROPLIYIBULJ-UHFFFAOYSA-N 389.496 2.923 0 40 GFAB CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(OCc2cccc(F)c2)c1 605425313 JRWCXUREDUTDAZ-UHFFFAOYSA-N 385.395 2.674 0 40 GFAB O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@H](Cc1ccccc1)c1ncco1 654506538 VDFMEUQRAUURFI-ZWKOTPCHSA-N 377.448 2.932 0 40 GFAB COc1cccc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)c1Cl 660346864 CKMNDWQCZWDKHP-ZDUSSCGKSA-N 376.844 2.961 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N[C@@H](C)CN4CCN(C)CC4)ccc32)c1 668395082 BIDITCQBFFVCIU-SFHVURJKSA-N 391.519 2.700 0 40 GFAB CC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(O)CC2)c2ccccc12)C(=O)O 299817156 HWEQMPAYSNTICF-WTNGLUPJSA-N 387.480 2.817 0 40 GFAB in-vitro COc1ccc(OC)c(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)c1 585293416 WJAODPFANDJUAN-QWFCFKBJSA-N 377.868 2.678 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)C1 29202438 QOCWSFKVYFXNPL-LBPRGKRZSA-N 382.482 2.708 0 40 GFAB C[C@@H](NC(=O)CC1CCN(C)CC1)c1cc(F)ccc1N1CCC(O)CC1 585085526 XTLMQCTYCWEFGV-OAHLLOKOSA-N 377.504 2.696 0 40 GFAB Cc1coc(-c2cccc(NC(=O)N3C[C@@H](CO)[C@H](c4cnn(C)c4)C3)c2)n1 575945657 RIGBKCSSUMUCEP-WMZOPIPTSA-N 381.436 2.623 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)n(C)n1 1615154624 GDNFMPCDXGABFC-JOCHJYFZSA-N 396.491 2.582 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)ccn1 1615153427 CVQALPAMKPZYMQ-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB O=C(Cn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21)Nc1ccc(F)cc1 5673375 OUCAUMUDCAFPPU-CXUHLZMHSA-N 378.363 2.599 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c1 11779783 IQUXGKAKKXMMCN-LSDHHAIUSA-N 384.432 2.692 0 40 GFAB COC(=O)Cn1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O 12113478 YIFJETDDYQZLNN-UHFFFAOYSA-N 397.456 2.951 0 40 GFAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)cc1 18131727 WWNNFFQVPLBLQP-SFHVURJKSA-N 376.478 2.827 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@H](c2ccc(F)cc2)N(C)C)n1C 19289262 LOJWZXJXBIXBNQ-CABCVRRESA-N 377.489 2.643 0 40 GFAB COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1Cc1ccccc1 19567128 DPBOZEFYYMSDBZ-HSALFYBXSA-N 382.504 2.566 0 40 GFAB CNc1cc(CN(C)Cc2ccc(N3CCCC3=O)cc2)nc([C@H]2CCCN2)n1 19760678 NPQYPRMCDZKCJD-LJQANCHMSA-N 394.523 2.702 0 40 GFAB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)O)cc3)C2=O)CC1 6308097 AEYLJQBTWCONNP-GDNBJRDFSA-N 388.445 2.680 0 40 GFAB CCc1nc(CNC(=O)NCc2cc(Br)cnc2OC)cs1 623585111 DLFLYPLQOJXMAE-UHFFFAOYSA-N 385.287 2.871 0 40 GFAB CC(C)(C)NC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 4554094 KJPNAORGUSYURE-OAHLLOKOSA-N 385.505 2.857 0 40 GFAB Cc1ccc(C(=O)NCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 11751995 PAWATJODCZZHAK-UHFFFAOYSA-N 383.429 2.744 0 40 GFAB O=C(NCCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccs1 10446003 BRNZQYFUBCBVII-UHFFFAOYSA-N 385.489 2.745 0 40 GFAB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1nc2ccccc2s1 238898126 RFULCMAWEVNRRJ-AWEZNQCLSA-N 381.413 2.746 0 40 GFAB Cc1nc(CN2CC[C@@H]3CN(C(=O)CC4CCOCC4)C[C@@H]3CC2)cs1 2056223536 QOIOSGHNWPLDAR-HDICACEKSA-N 377.554 2.939 0 40 GFAB O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1cc(F)ccc1F 4270249 BHGZDUSRBINURO-UHFFFAOYSA-N 387.371 2.870 0 40 GFAB CC(C)c1ccccc1OCCOC[C@@H](O)CN1CCN(c2ccccn2)CC1 4279155 AJUZXKDGEQKTBZ-FQEVSTJZSA-N 399.535 2.784 0 40 GFAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305740 ATZAVVRGCYCKEX-SFHVURJKSA-N 395.484 2.878 0 40 GFAB CCOC(=O)c1csc(NC(=O)CCCS(=O)(=O)c2ccccc2)n1 9911976 ZEIVKIHSBKXDQP-UHFFFAOYSA-N 382.463 2.512 0 40 GFAB CC(C)Oc1ccc(C(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 10251123 GASSZMAYDDCGNY-UHFFFAOYSA-N 389.415 2.753 0 40 GFAB CCCOc1ccc(CN2C[C@@H](CN3C(=O)NC4(CCCC4)C3=O)CC2=O)cc1 2298107057 PBIWUWVJHXZJHG-KRWDZBQOSA-N 399.491 2.689 0 40 GFAB O=C([C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)N1CCC(F)(F)CC1 2298188614 ZBMVQGGCLPYVQP-LLVKDONJSA-N 378.345 2.970 0 40 GFAB O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19368334 FMIWTOAHLHYNLZ-CYBMUJFWSA-N 393.422 2.546 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 22285967 ROXPHSXKXZRSSN-ZDUSSCGKSA-N 390.436 2.611 0 40 GFAB COc1cc(C)c([C@H](C)NC(=O)c2cccnc2N2CCOCC2)cc1OC 40134315 VJOXVOSOECUAAC-HNNXBMFYSA-N 385.464 2.735 0 40 GFAB O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)c2ccc(O)cc2)CC1 30661526 RUOXPFLTJRPDDV-UHFFFAOYSA-N 376.815 2.712 0 40 GFAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 40597240 OUKCDOMPBHCZTN-JTQLQIEISA-N 381.723 2.723 0 40 GFAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 101454762 NTGKUPFUZJWBAU-QGZVFWFLSA-N 385.851 2.569 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2s1 101616153 SHJCPSSUUXMZIY-GVXVVHGQSA-N 377.491 2.610 0 40 GFAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(C(=O)c2cccnc2)CC1 32777488 BOOJXMQHYPUIIT-UHFFFAOYSA-N 387.867 2.782 0 40 GFAB NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1 32832503 BWEDXMAANDFMCN-UHFFFAOYSA-N 385.851 2.930 0 40 GFAB O=C([C@H]1CCCN1Cn1c(=S)n(C(F)F)c2ccccc21)N1CCOCC1 32823918 YELUULZJKSXFEO-OAHLLOKOSA-N 396.463 2.848 0 40 GFAB O=C(NCC1(c2ccc(Br)cc2)CCC1)N[C@@H]1CCCCNC1=O 52522658 FHENVZXBDOERKG-OAHLLOKOSA-N 394.313 2.839 0 40 GFAB CSc1ccc(NC(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1 41524594 GYQSJJJVRSBHBF-UHFFFAOYSA-N 399.394 3.000 0 40 GFAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ncnc3[nH]cnc23)CC1 12323686 RQBOQZUHUCKANP-UHFFFAOYSA-N 377.235 2.622 0 40 GFAB COc1cccc(C2(O)CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)c1 1347886 PCQROWDQZIEGQI-UHFFFAOYSA-N 385.460 2.765 0 40 GFAB Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1C 2067640 RDVFDJDPSRHVPB-GOSISDBHSA-N 383.448 2.802 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4171826 DJGDSNJZNRODIA-TYNCELHUSA-N 388.342 2.991 0 40 GFAB COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCc2cccnc2)cc1 4798328 OAKSSCDYYYXHCS-XDHOZWIPSA-N 377.400 2.771 0 40 GFAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c1O 6964946 REIXSMQWYJWJSN-ZSOIEALJSA-N 378.450 2.599 0 40 GFAB CCOc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 10009095 JHIUGLFWMHDCNO-GOSISDBHSA-N 390.461 2.641 0 40 GFAB CCCSc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1 9386678 URXYBAYGMNUJJP-UHFFFAOYSA-N 391.565 2.859 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)ccc1O 3273645 BUUAYOKUROKIRY-ONNFQVAWSA-N 384.388 2.554 0 40 GFAB CCn1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(=O)c2ccc(C)nc21 3271378 YAFBYYSYGLRAMY-GJZGRUSLSA-N 385.464 2.671 0 40 GFAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 101117202 SNYBQIIVGREIAE-OAFZBRQQSA-N 382.840 2.506 0 40 GFAB C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCC1=CCCCC1 8667424 DDBSACOLIWFDAL-HNNXBMFYSA-N 398.459 2.611 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccnc1OC1CCCC1 48235960 QUUPWRALVUGENC-ROUUACIJSA-N 399.491 2.585 0 40 GFAB COc1ccc(C(=O)C2CCN(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 12773900 QIJNNFZQXJTHBI-IYBDPMFKSA-N 394.537 2.813 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3cccc(F)c3)CC2)cc1 12741746 DHDCHWPBHZSZNM-UHFFFAOYSA-N 398.434 2.686 0 40 GFAB CCN(CCCNc1nc(-c2ccncc2)nc2ccccc12)S(C)(=O)=O 54124518 FDIRWBUZHUUHQW-UHFFFAOYSA-N 385.493 2.775 0 40 GFAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12767391 MNUXKYIXHRXJFC-LBPRGKRZSA-N 385.851 2.989 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 12749241 RXEPCESSQPTQGP-UHFFFAOYSA-N 393.487 2.667 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 3380693 HHGJYROTCZCJRS-UHFFFAOYSA-N 395.337 2.656 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)c(F)c1 27553019 FXMMSQKKKMJZKT-UHFFFAOYSA-N 375.488 2.845 0 40 GFAB CCN(C(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1)[C@H](C)c1ccc(F)cc1 58159982 FVZDMJVUQOXYSL-OWCLPIDISA-N 379.476 2.944 0 40 GFAB COc1cccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)c1OC(F)F 58226482 IEWZPTVVPSBUHH-UHFFFAOYSA-N 379.298 2.664 0 40 GFAB O=c1nc(SCc2ccc(F)cc2)c2c(n1[C@@H]1CCS(=O)(=O)C1)CCC2 27795593 QBYBYTKMZCTRJG-CQSZACIVSA-N 394.493 2.523 0 40 GFAB CC(C)c1cc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)nn1C(C)(C)C 48374280 JNUHEBRLSFPNPK-HXUWFJFHSA-N 394.585 2.699 0 40 GFAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CN3CCSC3=O)cc2)C1 48310371 JKTKIYZPFAXCQE-HOTGVXAUSA-N 375.538 2.950 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)s1 48340331 LBLUJQDYFKSRFK-NHYWBVRUSA-N 382.507 2.921 0 40 GFAB CN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 58407647 VIVJEBCREQPPIC-GOEBONIOSA-N 395.345 2.669 0 40 GFAB Cc1nc(C(=O)NC[C@H](c2ccco2)N2CCCC2)nn1-c1ccc(F)cc1 9450073 MCPWNQKTXUJFKU-QGZVFWFLSA-N 383.427 2.875 0 40 GFAB COc1ccccc1-c1nc2s/c(=C\C3=Cc4ccccc4OC3)c(=O)n2n1 2391256 OMIVRCYRNLIVBF-WQRHYEAKSA-N 389.436 2.802 0 40 GFAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCC[C@@H]1C 2320203 LQNXVZFHMFUBTQ-LBPRGKRZSA-N 389.452 2.785 0 40 GFAB Cc1c(-c2cc(-c3cnn(C)c3C)n(CC(=O)Nc3ccccc3)n2)cnn1C 36611604 PXGTVKSXFUCHOH-UHFFFAOYSA-N 389.463 2.940 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc2c1=O 11518307 LBASKSDCDPYCEJ-UHFFFAOYSA-N 378.816 2.634 0 40 GFAB NC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 3421441 KBNCQMPXGMXDCA-UHFFFAOYSA-N 394.412 2.757 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1 11940370 BMBXHAIGTBKDDM-MAUKXSAKSA-N 383.448 2.973 0 40 GFAB CC[C@@H](C(=O)N(C)Cc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O 22525959 WHASVZPKGIIJCA-SFHVURJKSA-N 390.505 2.898 0 40 GFAB CC(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 12947104 QZBOVLICQPCWSV-NRFANRHFSA-N 376.460 2.685 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)Cc2ccc3c(c2)CCO3)cc1OC 13257031 TVWPPXRDMDEPHU-INIZCTEOSA-N 385.416 2.513 0 40 GFAB COc1cc2c(cc1OC)-c1cc(Nc3ccc(C(=O)O)cc3)nc(=O)n1CC2 4000103 CCECVUURRVFEMM-UHFFFAOYSA-N 393.399 2.925 0 40 GFAB biogenic Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1[C@H]1CCS(=O)(=O)C1 39588331 ZVYLPVVXODZTLZ-HNNXBMFYSA-N 399.472 2.669 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(-n2cnnn2)cc1 5103102 LUNILEZIGNCVDV-CYBMUJFWSA-N 375.388 2.880 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)C[C@@H](C)O1 8851355 FQFZDKCEELBFHC-HZPDHXFCSA-N 394.537 2.937 0 40 GFAB O=C1O[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 14180983 SMROFVZOXXGVTD-VQIMIIECSA-N 399.468 2.504 0 40 GFAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cc(Br)ccc1OC 14163390 OGKRDRHLWDSXGN-CQSZACIVSA-N 383.242 2.943 0 40 GFAB O=C1O[C@H](CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc21 14180987 SMROFVZOXXGVTD-QFBILLFUSA-N 399.468 2.504 0 40 GFAB O=C(NCC(=O)N1CC[C@@H](N2CCCC2)C1)c1sc2ccccc2c1Cl 66144299 VGTUFRBULVSFJG-CYBMUJFWSA-N 391.924 2.981 0 40 GFAB NC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)c2ccccc2O1 6649135 TZVASKQPFCSBFU-FQEVSTJZSA-N 388.427 2.643 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 6849668 KWUTZVHASLEBJK-GOSISDBHSA-N 391.427 2.531 0 40 GFAB COc1ccccc1CCNC(=O)CSc1nnnn1-c1c(C)cccc1C 7379160 LIBGPKJLGCOENB-UHFFFAOYSA-N 397.504 2.739 0 40 GFAB C[C@H](OC(=O)c1cnn(-c2ccccc2)n1)C(=O)NC[C@@H](C)c1ccccc1 7786376 KSYCATYXPXWAOL-CVEARBPZSA-N 378.432 2.733 0 40 GFAB Cn1c(CNC(=O)CSc2ccc(C(F)(F)F)cn2)nnc1C1CCC1 96012085 WHMWXBJVGGGDIC-UHFFFAOYSA-N 385.415 2.905 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)NC2CCCCCC2)c2ccccc2c1=O 16768747 BYHBPIBYKWRYBW-CQSZACIVSA-N 385.464 2.801 0 40 GFAB C[C@]1(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1(Cl)Cl 84673272 VDGYJUIDUWIJAM-GOEBONIOSA-N 375.271 2.899 0 40 GFAB O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cccc(-n2ccnn2)c1 95439543 FBURVCOIBQVNFT-OAHLLOKOSA-N 399.401 2.877 0 40 GFAB CCOC(=O)c1sc2nc(C)nc(N3CCN(C(C)=O)CC3(C)C)c2c1C 95460575 CLRLCTRPLBXCQD-UHFFFAOYSA-N 390.509 2.932 0 40 GFAB Cc1cccc2c1C(=O)NCCN2C(=O)CCc1nnc(-c2ccsc2)o1 95458319 UNJMBLNNRSKKOV-UHFFFAOYSA-N 382.445 2.816 0 40 GFAB C[C@H](O)CCNC(=O)c1cc(I)cc(C(F)(F)F)c1 95960450 FEYYTIMLEWRLLW-ZETCQYMHSA-N 387.139 2.811 0 40 GFAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 409139822 BTCHBUAYVDIIRA-UHFFFAOYSA-N 376.478 2.668 0 40 GFAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCC(=O)OC 408819842 UGVRTLJCFWXDME-GHXNOFRVSA-N 385.825 2.957 0 40 GFAB COc1ccc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 306142031 WNKDGLRNSUPCJZ-FCHUYYIVSA-N 388.471 2.973 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 30852950 ZOGFRGBKXCBAJL-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB CN1CCN(Cc2ccccn2)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306130396 JEYKAWNHDUDBPI-FQEVSTJZSA-N 376.508 2.818 0 40 GFAB CCCOCCOc1cccc(-c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)c1 515433474 XWFJKAAIBVTXNS-UHFFFAOYSA-N 383.400 2.840 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 33570569 JAZQLSSYZHPFCO-OAHLLOKOSA-N 384.432 2.574 0 40 GFAB CCOC(=O)c1cc(C)n(CC(=O)N2CCN(c3cccc(C)c3)CC2)c1C 32837402 LLDRKUMXGAZDPH-UHFFFAOYSA-N 383.492 2.939 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373060 HFNYJNOHYKECIP-ROUUACIJSA-N 386.540 2.550 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 31075264 FJFFCUQOEBWIDN-UHFFFAOYSA-N 387.505 2.719 0 40 GFAB Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NC(C)C 72369612 DVVAPASLBHJWNU-KRWDZBQOSA-N 397.523 2.529 0 40 GFAB COC(=O)c1cccc(NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 48332542 QIYIAXKAEODUNI-UHFFFAOYSA-N 383.448 2.565 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)nc(C)n2C 225893272 NLLDOQPOUALXAC-UHFFFAOYSA-N 386.477 2.693 0 40 GFAB CCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1cccc(Cl)c1 40384988 XYZTVHXAULQLCQ-UHFFFAOYSA-N 385.855 2.788 0 40 GFAB CCN(CC)C(=O)[C@H](C)NC(=O)/C=C/c1cc(Br)ccc1OC 40105167 OXXIMWWSXFZVTG-PMDBQALLSA-N 383.286 2.844 0 40 GFAB Cn1ncc2c1CCCN(C(=O)c1cnc3c(cnn3Cc3ccccc3)c1)C2 572222390 VYPAFGXRKCBKND-UHFFFAOYSA-N 386.459 2.802 0 40 GFAB Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)Cc2cc(F)ccc2F)n1 77101123 MOGZYEXOVMMYBS-UHFFFAOYSA-N 395.353 2.744 0 40 GFAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 96232229 RGNPWJJSIGRZMU-KRWDZBQOSA-N 377.383 2.655 0 40 GFAB NS(=O)(=O)c1cccc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 25273170 MAKGITWHYXWWSO-UHFFFAOYSA-N 391.836 2.572 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)cn1 257290416 QCWDVEFLPTWDEL-ZOBUZTSGSA-N 399.476 2.867 0 40 GFAB Cc1ccc(CN(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 260816670 YQDQCWZGCNPNBF-GOSISDBHSA-N 388.533 2.894 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(Br)cc1 90611557 BGWGOOHTFCJJQL-QGZVFWFLSA-N 396.306 2.647 0 40 GFAB CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 672326033 JEGVPKAIGDUTOR-GFCCVEGCSA-N 386.422 2.654 0 40 GFAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575421013 HKHIOQQQLYHIMM-PBHICJAKSA-N 381.519 2.816 0 40 GFAB CC(C)(C)n1ncc2c(=O)[nH]c(NC3CCN(Cc4ccccc4)CC3)nc21 68880750 XLCZECQFGIEGIY-UHFFFAOYSA-N 380.496 2.951 0 40 GFAB O=C(Cc1csc(-c2ccccn2)n1)N1CCc2nc[nH]c2C12CCOCC2 633524638 NEYILDFQGNKEJC-UHFFFAOYSA-N 395.488 2.561 0 40 GFAB CCn1c(SCC(=O)Nc2cc(C)on2)nc2c([nH]c3ccccc32)c1=O 5106542 CQWGYODLLPCDFO-UHFFFAOYSA-N 383.433 2.925 0 40 GFAB COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CCN3C[C@H]2CC[C@H]1O 5734226 WMMZYEBFJWWUJX-YCSGKXEJSA-N 384.476 2.656 0 40 GFAB biogenic,in-vitro Cc1cccc(OCC(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)c1 12084974 MTLGNIZPANWPBT-OAHLLOKOSA-N 383.477 2.780 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 15434364 MJHJBZYZUWHMFV-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB CNc1cc([C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nc(-c2cccnc2)n1 19238862 JLVQBFZYGNBCEQ-MRXNPFEDSA-N 389.463 2.699 0 40 GFAB COc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c(Cl)cc1O 19291455 BYXFKNDXERTLFW-FSWDVZBNSA-N 377.872 2.802 0 40 GFAB NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19344565 NODVEOOOPHUXKU-LAUBAEHRSA-N 384.501 2.841 0 40 GFAB CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H](CN(C)C)C3)c2N1 19520869 HPGZWRJTRVZLJR-YDHLFZDLSA-N 387.450 2.995 0 40 GFAB Cc1nc(N(C)C)ncc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCCCC1 19552766 USXFHUFUEGVIBG-LJQANCHMSA-N 385.487 2.947 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)s1 19561956 DCSKDJXQKIJDNY-GRYCIOLGSA-N 397.451 2.891 0 40 GFAB C[C@@H](CN1CCCC1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 19661370 SKJHQJVJTLSLSD-AWEZNQCLSA-N 384.446 2.917 0 40 GFAB O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CC[C@H](C(=O)Nc2cccc(O)c2)CC1 101643883 SDYDIIJISYOVIB-GASCZTMLSA-N 393.443 2.841 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C 15866645 VYIQLLBIHGMIQI-BETUJISGSA-N 375.494 2.720 0 40 GFAB CNC1CCC2(CC1)CN(C(=O)[C@H](C)Cn1cccn1)Cc1ccccc1O2 19457652 MOTGVCQABRXYTF-BWDFOLQRSA-N 382.508 2.841 0 40 GFAB COc1ccc(C[C@H](C)N2C[C@@H](N)[C@H](c3cn(C)c4cnccc34)C2)cc1OC 19456773 IIYSUKUOQDVQBF-RYGJVYDSSA-N 394.519 2.948 0 40 GFAB CNC(=O)NC(=O)[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 3557427 NXWJAYHMFMETSH-GOSISDBHSA-N 378.384 2.899 0 40 GFAB c1cc2sc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2cn1 1888879252 DVTGVEBAAAPKLB-UHFFFAOYSA-N 382.493 2.702 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888888028 DSYWTVGWFYAZDS-CYBMUJFWSA-N 377.441 2.583 0 40 GFAB Cc1cnc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@H]3C2)cn1 1888897017 GJCLRYGRRYQLOU-IAGOWNOFSA-N 390.491 2.924 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2nc3cccnc3n2C)CC1 1888913143 ZUIZZSPCSFLXQC-UHFFFAOYSA-N 388.475 2.903 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(OC)cc1 4934904 HTWVNHOIFJCGAE-FQEVSTJZSA-N 393.443 2.539 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152809 OMZJYQDZDIYQPY-SFHVURJKSA-N 395.484 2.878 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1 8896605 WLFAVCYAZBBWCG-QGZVFWFLSA-N 395.550 2.924 0 40 GFAB O=c1c2ccccc2cnn1CCc1n[nH]c(=S)n1-c1ccc2c(c1)OCO2 8914443 AXZCZHQIIYFIGI-UHFFFAOYSA-N 393.428 2.611 0 40 GFAB CCOC(=O)[C@](NC(=O)NCCc1ccccc1F)(OCC)C(F)(F)F 12412213 TVIMAYMEQGLOKE-HNNXBMFYSA-N 380.338 2.526 0 40 GFAB O=C1C[C@H](N2CCN(CCCc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 22972166 WRMGBAMPHHAQPC-NRFANRHFSA-N 395.478 2.708 0 40 GFAB CN(C1CN(c2ccc(-c3ccccc3)nn2)C1)S(=O)(=O)Cc1ccccc1 1775976493 ANOXXBQACZJVDC-UHFFFAOYSA-N 394.500 2.794 0 40 GFAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3F)C2)nc1 1775970131 CMAVXINCEQHSPO-OAHLLOKOSA-N 379.457 2.545 0 40 GFAB COc1ccc(CN2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1F 1889133908 MLVCRZYDNMDSIC-UHFFFAOYSA-N 385.487 2.855 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3ccco3)CC2)cc1 219450998 BOSOCTASIJGJGR-INIZCTEOSA-N 381.475 2.935 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19336120 IPMXYYILRWDOAK-QGZVFWFLSA-N 392.912 2.692 0 40 GFAB CONC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 30867271 JHJFFWJULJKLAX-QUCCMNQESA-N 384.432 2.866 0 40 GFAB O=C1C[C@@H](N2CCN(CCCc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 100218682 WRMGBAMPHHAQPC-OAQYLSRUSA-N 395.478 2.708 0 40 GFAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 32586049 WKUOYQZUWLBISW-UHFFFAOYSA-N 376.768 2.841 0 40 GFAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 32836058 WLBJLTFNOKXCRD-UHFFFAOYSA-N 394.397 2.587 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 32957546 YQVSPWXQZCENRJ-ROUUACIJSA-N 396.487 2.794 0 40 GFAB COc1ccc([C@H](CNC(=O)COc2cc(C)ccc2C)N2CCOCC2)cc1 33026009 QSCUVAIJHDHAEW-NRFANRHFSA-N 398.503 2.881 0 40 GFAB O=C1c2ccccc2C(=O)N1n1c(COc2ccccc2)nc2ccccc2c1=O 728958 JXLZTKCDECHGKR-UHFFFAOYSA-N 397.390 2.908 0 40 GFAB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324725 FJSUHJRVBPGMGB-QGZVFWFLSA-N 388.489 2.959 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCSCC1 2293310 TURYQZSRWRYTPV-NSHDSACASA-N 379.457 2.860 0 40 GFAB C[C@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1 2616134 KXGMWZMZWBGITP-AWEZNQCLSA-N 381.384 2.742 0 40 GFAB CCC(CC)NC(=O)COC(=O)c1ccc(I)cc1 3292365 KAYGRCYILKDKQN-UHFFFAOYSA-N 375.206 2.753 0 40 GFAB COc1ccccc1C1=NN(c2nc(C(=O)O)cs2)[C@](O)(C(F)(F)F)C1 5243239 FHYDXBRIFGNLFK-CQSZACIVSA-N 387.339 2.715 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 6610397 ZWIFCQBQTGCRFP-UHFFFAOYSA-N 398.415 2.693 0 40 GFAB CC1CCC(NC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)CC1 6868369 JPYZIKBKHZXJKP-UHFFFAOYSA-N 387.509 2.660 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(Cl)cc1C(N)=O 7022812 UVTVMRSUBOMDIY-UHFFFAOYSA-N 390.823 2.595 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)Cc1csc(N2CCCC2=O)n1 7569554 BZGJIKOBZFEACZ-UHFFFAOYSA-N 388.445 2.767 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 7939685 HWYZONYYDSZZBN-UHFFFAOYSA-N 386.379 2.929 0 40 GFAB Cc1nc(-c2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)cs1 8129012 OVFRWDHFPVRNCP-UHFFFAOYSA-N 384.461 2.922 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Br)c1 8206112 SXBJRCFODZEHNW-UHFFFAOYSA-N 387.230 2.505 0 40 GFAB COCCNC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2 8490504 WXDUONPLHXJLIW-UHFFFAOYSA-N 389.448 2.655 0 40 GFAB biogenic C[C@@H](Nc1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc2c(c1)OCCO2 9221139 FJWNCWKEDMBIPQ-LLVKDONJSA-N 385.445 2.941 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 9232200 VHSUCJCYEMIEPC-INIZCTEOSA-N 396.443 2.929 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cccc3c2CCCC3)c1 9368243 BMJQYYKQDBYXAH-UHFFFAOYSA-N 387.505 2.866 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 9550009 OGIKJPLDTBDVCU-GFCCVEGCSA-N 397.431 2.866 0 40 GFAB CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 10009963 CGFPSGAEMQAAJX-HNNXBMFYSA-N 376.478 2.729 0 40 GFAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 10233716 IOBGVMJIWOJJGU-GFCCVEGCSA-N 397.454 2.925 0 40 GFAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2cccs2)n2nnnc2N3)cc1 10296043 NYMPUPJFVDWRRW-INIZCTEOSA-N 393.432 2.991 0 40 GFAB Cc1cc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nc(C(C)C)n1 10518072 GVOCYMCSFGOQIG-UHFFFAOYSA-N 396.463 2.698 0 40 GFAB O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 11508337 CQTSQBPKTRGZEY-KRWDZBQOSA-N 388.414 2.995 0 40 GFAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)OCCO2 11999538 MXONWKCOAGBHSI-SFHVURJKSA-N 388.489 2.573 0 40 GFAB Cc1ccc(OCC(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)cc1 12085315 IJJRZHFBOHGRJU-HNNXBMFYSA-N 383.477 2.780 0 40 GFAB Cc1nn(CC(=O)N[C@H]2C[C@H]2c2ccccc2)c(=O)c2cc3sccc3n12 12115281 NQBQAPALSSGDQW-GJZGRUSLSA-N 378.457 2.691 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1Cc2ccccc2OC2(CCOCC2)C1 12121845 GRPNWXXJGGUQKT-UHFFFAOYSA-N 383.492 2.940 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 12143480 UBXNXLOPXPSAAX-UHFFFAOYSA-N 382.508 2.849 0 40 GFAB O=C(NCc1ccc(Cl)cc1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234305 CFXUDHJWRPCGDD-UHFFFAOYSA-N 399.813 2.513 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)CCn1cnc2ccccc21 12609368 WIHCRGYIDNVFBR-UHFFFAOYSA-N 378.476 2.922 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c(C)c1 12734459 HBVUEQPTNPLPNW-UHFFFAOYSA-N 377.418 2.897 0 40 GFAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)nn12 12779711 POHDNHMGBIPPTD-JTQLQIEISA-N 393.325 2.636 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(Cl)cc2)cc1 13001414 QWBFYKSWAOIYDA-UHFFFAOYSA-N 383.853 2.826 0 40 GFAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCO[C@H](c2ccccc2)C1 13019144 ISKMPBDXFYZVSF-INIZCTEOSA-N 381.400 2.897 0 40 GFAB O=C(CNc1nc(Cl)nc2[nH]cnc12)N1CCC(Cc2ccccc2)CC1 13656159 GVOAQSDHWAFHTC-UHFFFAOYSA-N 384.871 2.900 0 40 GFAB Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 13957498 HUNXCEAHMSNFAE-HNNXBMFYSA-N 380.400 2.728 0 40 GFAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc(F)cc1 16851176 KIAJOUCIBSNJPK-UHFFFAOYSA-N 386.408 2.794 0 40 GFAB COc1cc(CNC(=S)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC 17452179 OENIZZYFMJXGSW-UHFFFAOYSA-N 390.461 2.970 0 40 GFAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1F 17522132 RHNNOEYBYKGDKI-HNNXBMFYSA-N 380.832 2.676 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)ncc2C1 19018215 VAYPEYBUWVNNIU-FQEVSTJZSA-N 396.466 2.817 0 40 GFAB CC(C)C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 19085207 GMAUTOAWGWGFSV-UHFFFAOYSA-N 380.492 2.970 0 40 GFAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cccc(F)c1)CC3 19550841 DGGVKAWNMCOABP-UHFFFAOYSA-N 383.423 2.611 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c(C)c1C 19556171 RKZNSZRKKUNESD-RDTXWAMCSA-N 396.539 2.601 0 40 GFAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1OC 19561199 RUDDOYFGAWEYDH-PCCBWWKXSA-N 382.504 2.566 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 19589420 INSQXPNXAMRATH-OAQYLSRUSA-N 380.488 2.849 0 40 GFAB O=C(Nc1ccc([C@H](O)Cn2cncn2)cc1)c1cn2cc(Cl)ccc2n1 19716735 IZSFLKHTOCVWID-MRXNPFEDSA-N 382.811 2.565 0 40 GFAB CCN1CCC(CC(=O)Nc2cnn(CC(=O)Nc3ccc(F)cc3)c2)CC1 19746133 PBZVYQVRYDBVMP-UHFFFAOYSA-N 387.459 2.721 0 40 GFAB Cc1ccc([C@H]([C@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 19863988 WIIAKJDQWGCZOG-NHCUHLMSSA-N 384.476 2.545 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 20816333 UKIUQHKPZOUOIX-AWEZNQCLSA-N 387.461 2.563 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533094 WGJRSSGQGUIBPC-UHFFFAOYSA-N 382.386 2.987 0 40 GFAB Cc1c(C(=O)NC[C@H]2CCCO2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 22461589 XMTMWCBTRBOWLV-CQSZACIVSA-N 383.473 2.793 0 40 GFAB CC(C)c1ccc(-c2nc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cs2)cc1 22991803 OZZKKOFGCXOZAP-UHFFFAOYSA-N 398.488 2.748 0 40 GFAB CCc1nnc(C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)s1 23140854 CGVPOHVFJQLWEP-UHFFFAOYSA-N 381.523 2.986 0 40 GFAB CCOc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)NCc1ccccc1 24727170 HJCZUNJFADHUCL-OUKQBFOZSA-N 382.416 2.668 0 40 GFAB NC(=O)c1cccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)c1 25576759 ZZCJFVRKNRZWKU-UHFFFAOYSA-N 387.852 2.750 0 40 GFAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 28206531 MJSCQRVZIBIQJG-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB Cc1ccnc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)c1 28234781 DWHXZNQUZHGQRL-UHFFFAOYSA-N 389.257 2.920 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)no1 32472517 BCDZMNGRWXUTAF-HWKANZROSA-N 383.404 2.602 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)NCCC2=CCCCC2)Oc2ccccc21 38852467 CECYWVJKRBHSRD-GOSISDBHSA-N 378.494 2.610 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)ccc21 40039830 WGIMCXKMXSXPRS-RYUDHWBXSA-N 383.370 2.561 0 40 GFAB O=C(CSc1nc2ccccc2o1)N1CCCN(C(=O)c2ccncc2)CC1 40106687 PUWJLSMXUZBZEX-UHFFFAOYSA-N 396.472 2.690 0 40 GFAB CCc1c(C(=O)NCCOc2c(C)cccc2C)cnn1-c1ccc(OC)nn1 40113751 SUFQVQXFDCRAII-UHFFFAOYSA-N 395.463 2.659 0 40 GFAB O=C(NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1)c1ccco1 41089878 KXTGEGSPXYKPEU-UHFFFAOYSA-N 386.820 2.994 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(C(=O)N3CCOCC3)cc2)C1 43220457 QLBNYISLIGWRAO-SFHVURJKSA-N 390.480 2.937 0 40 GFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCc1c(F)cccc1F 46731923 XBPSPXMMAUORLS-UHFFFAOYSA-N 383.354 2.780 0 40 GFAB NC(=O)C1CCN(C(=O)Cn2ccc3cccc(OCc4ccccc4)c32)CC1 49544310 CILDBZYSFPTDFT-UHFFFAOYSA-N 391.471 2.944 0 40 GFAB CCOC(=O)c1ccc(N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)nc1 58194564 LXDQWXCLKJCTAR-ZDUSSCGKSA-N 377.466 2.682 0 40 GFAB COC[C@H](C)n1c(S[C@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O 58194778 JQFHYCAVWHHLHQ-BBRMVZONSA-N 377.510 2.809 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)ccc1OCC(=O)O 58377423 FHUCBMGSMSLHPN-UHFFFAOYSA-N 397.399 2.878 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(-n4nccn4)cc3)CCC2)cc1 58430555 AXINXWZQFVAJOI-UHFFFAOYSA-N 396.472 2.911 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1F 62162659 YZOJTCJCMWGPML-JTQLQIEISA-N 386.832 2.793 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC[C@H]4CC)ncn3n2)cc1 67208757 URCCQPCSDPGFCT-GOSISDBHSA-N 393.491 2.912 0 40 GFAB CO/N=C/c1ccc(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1 68477229 IVGSOXVKMMLDDE-UDWIEESQSA-N 391.424 2.598 0 40 GFAB COC(=O)c1cccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)n1 71803525 BDIVZHCIVOIIEP-UHFFFAOYSA-N 376.796 2.613 0 40 GFAB CN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H]1c1cccc(F)c1 72243782 NLJIPEASEHDXIS-ZFWWWQNUSA-N 384.333 2.743 0 40 GFAB CCN(CC)C(=O)CN1CCC[C@H](c2cc(Nc3cnccn3)cc(C)n2)C1 72374839 AYFLOVHWNQSKAC-KRWDZBQOSA-N 382.512 2.971 0 40 GFAB NC(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 72396283 DVZRWDMSHGAUOH-IBGZPJMESA-N 392.434 2.977 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)Cc2ccccc2Cl)cc1 77184823 SRGAFDOAGPQSPN-SFHVURJKSA-N 383.897 2.762 0 40 GFAB COc1cccc(CCC(=O)N(C)C[C@H](O)CN2CCc3ccccc3CC2)c1 89340082 ZJCHISPPEBNCAY-QFIPXVFZSA-N 396.531 2.548 0 40 GFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCC(N2CCCCC2=O)CC1 89775794 SMCBDZBLJCEWMQ-GOSISDBHSA-N 391.537 2.506 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)C(C)(C)c1ccc2c(c1)OCO2 95392584 GCGWNRYGKWXUKB-UHFFFAOYSA-N 395.463 2.796 0 40 GFAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)N[C@H]1CC(=O)N(C2CC2)C1 95446348 GTSQQCUZNOMIFS-LBPRGKRZSA-N 386.839 2.784 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CC=C(c3cncc(F)c3)CC2)c(C)c1 95468719 NAUAPDAAYWSPCJ-UHFFFAOYSA-N 390.436 2.794 0 40 GFAB CC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)CC1 96296362 ZWUWTOUUUYLGLX-SFHVURJKSA-N 388.899 2.703 0 40 GFAB biogenic,in-vitro COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 96454276 MJNTZINAKTYUAP-LJQANCHMSA-N 399.878 2.803 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 101036889 TWKKHTTVTDYUBJ-CZIZESTLSA-N 392.477 2.979 0 40 GFAB S=C(NCCCN1CCOCC1)NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103252698 MCRMGQVLNHHPSR-FDCMFXBMSA-N 386.005 2.751 0 40 GFAB CC[C@H](NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O)c1nc(C)cs1 104605709 PPMSETLKNMPHPS-AWEZNQCLSA-N 387.509 2.843 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 105740946 LFTVUGZEZQQHIY-HZSIQRQJSA-N 395.528 2.523 0 40 GFAB Cc1ccc(N2CCCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)nn1 107251032 LRIGRCLOYYOASY-UHFFFAOYSA-N 398.482 2.711 0 40 GFAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1ccc(O)c(OCC)c1 107601138 ONNDZHDPPIBKAV-MRXNPFEDSA-N 376.434 2.614 0 40 GFAB COCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113964726 MIRGMTDXMLQDJB-UHFFFAOYSA-N 390.505 2.646 0 40 GFAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217465020 IIYZSJHSBPATTI-UHFFFAOYSA-N 382.482 2.612 0 40 GFAB COc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)c(OC)c1OC 219200642 PIIRNXGLOROMQK-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223189518 XCKYRHZRPVJUHH-NRFANRHFSA-N 386.467 2.938 0 40 GFAB Cc1cc2c(cc1S(=O)(=O)Nc1nc3c(s1)CCCC3)oc(=O)n2C 223341012 LKKOLLNYCBCMFJ-UHFFFAOYSA-N 379.463 2.576 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c1ccc(F)cc1 224189017 RRCBREMODSTNPL-UHFFFAOYSA-N 387.521 2.770 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2C)cc1OC 224804811 KIXQUMLENBCNMB-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1 224910902 PHXRRELXVRAZPD-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1n[nH]c2ccccc12 225724436 XKJJQYZZICICIN-UHFFFAOYSA-N 390.369 2.771 0 40 GFAB S=C(NCCN1CCOCC1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225906122 ZXNFGLNSPFUEJX-UHFFFAOYSA-N 393.900 2.541 0 40 GFAB Cc1noc([C@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@H]2c2ccccc2)n1 238910166 SDHUMWXADQBVQG-HOTGVXAUSA-N 388.449 2.555 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CO)C(=O)O)cc1 242463762 DJQDJPLCMLCLDM-ZIFCJYIRSA-N 394.876 2.905 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccc(N3CC[C@@H](OC)C3)cc2)CC1 252509255 YIOGSOGHFOFFRQ-HXUWFJFHSA-N 395.503 2.883 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408550510 DANBFJMUJZCDOP-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 408598415 ZXUWHVTYIOUMHV-INIZCTEOSA-N 390.505 2.880 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)c(Cl)c1 408627021 XKOSCBWJCHZUMW-UHFFFAOYSA-N 388.917 2.856 0 40 GFAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409090934 RRHHFIXWJFSXBM-LDADJPATSA-N 379.416 2.925 0 40 GFAB Cc1ccnc(N2CCN(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)CC2)c1 531713064 JGPKSQZTFVHFEO-UHFFFAOYSA-N 399.470 2.720 0 40 GFAB C[C@@H]1CN(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC[S@@](=O)C1 570801601 PEWVAROKZSPYAZ-QYOLQKOISA-N 390.490 3.184 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3ccncn3)C2)c(Cl)cc1Cl 575611526 ZQOIOKRHGKTRMS-LLVKDONJSA-N 388.276 2.934 0 40 GFAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1cccc2nsnc12 575620059 IFXKXSOKZBQMKB-NSHDSACASA-N 383.520 2.587 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183640 XQFGLQOGSWLPRI-OAQYLSRUSA-N 393.531 2.860 0 40 GFAB O=C(/C=C/c1cnc[nH]1)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 585291864 UNJZIKBOTJTDOG-OWOJBTEDSA-N 395.492 2.894 0 40 GFAB Cc1ccccc1C[C@H]1CCCN1C(=O)Cn1c(=O)nc(O)c2ccccc21 604088217 VEOQRMYIEDBQBX-QGZVFWFLSA-N 377.444 2.644 0 40 GFAB C[C@H](c1nc(C2(S(C)(=O)=O)CCCC2)no1)n1ccc(C(F)(F)F)n1 632151365 GLWDHOGQTZGVHN-SECBINFHSA-N 378.376 2.708 0 40 GFAB CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 676347191 JJEWKTHLYSHIPM-UHFFFAOYSA-N 386.477 2.682 0 40 GFAB Cc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)CCO2)o1 683824283 UJRGPGQLPRKUFT-ZBFHGGJFSA-N 376.388 2.514 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615161216 XAKTYZHKBKTQSA-JOCHJYFZSA-N 398.434 2.629 0 40 GFAB C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)c1nnnn1-c1ccccc1 1615551616 MDKJQEMGBJIBDK-JZXOWHBKSA-N 384.484 2.714 0 40 GFAB Cn1cc(-c2cnc(OC3CCN(c4nc5cnccc5s4)CC3)nc2)cn1 1889217656 NGEBXMPZEUYWTI-UHFFFAOYSA-N 393.476 2.930 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2 644886 KVCMLNPUHGIRPP-GTCCEBARSA-N 380.444 2.667 0 40 GFAB biogenic COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 1093868 DHXKHHWMPIBSTD-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1101745 CJOMVAJUAQUXAG-UHFFFAOYSA-N 399.535 2.560 0 40 GFAB COCC(=O)N(Cc1cc2cc3c(cc2nc1Cl)OCO3)C[C@@H]1CCCO1 1329035 NHLRTLQTSBEYRX-AWEZNQCLSA-N 392.839 2.771 0 40 GFAB CCOC(=O)C(Cc1ccc(Cl)c(Cl)c1)(NC(C)=O)C(=O)OCC 1652109 PVAUVBQOBQVDSC-UHFFFAOYSA-N 376.236 2.537 0 40 GFAB CCc1cc2c(C)cc(=O)oc2cc1O[C@@H](C)C(=O)N[C@@H](C(=O)OC)C(C)C 2132487 VWUYCGOQLJDLPA-ORAYPTAESA-N 389.448 2.745 0 40 GFAB biogenic O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(F)cc1F 3504882 BGQLICKTNWUTHM-HNNXBMFYSA-N 392.383 2.950 0 40 GFAB CC(C)OC(=O)[C@H]1C[C@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 4143813 IHNLSGUEYFDDLL-WCLQXYBISA-N 394.439 2.769 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)c1 4272623 FWEFKCJZPNCUPT-KRWDZBQOSA-N 392.459 2.755 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c(C)c1 4352389 DGFJWSATOXLAHB-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c(C)c1 5075745 APQRFIMQTOKRRJ-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 6553578 YZMGYHPRUNNTMR-VQIMIIECSA-N 390.549 2.786 0 40 GFAB COc1ccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)cc1 6681349 OUHGYDUXPQHZMJ-UHFFFAOYSA-N 393.446 2.822 0 40 GFAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(C)c(C)c2)c1 6681462 ZDUHPSUXKNFULI-UHFFFAOYSA-N 382.507 2.884 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1 6824033 FGSJMWAWISAJCR-MRXNPFEDSA-N 382.485 2.866 0 40 GFAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(F)cc1 6961297 GJBSEVZYMGGQOL-DHDCSXOGSA-N 383.379 2.905 0 40 GFAB Cc1cc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)nc(C(C)C)n1 7319063 COUUMAUYGSFCIN-UHFFFAOYSA-N 391.475 2.712 0 40 GFAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1C 7423596 BVAQFIMYUVGUCS-UHFFFAOYSA-N 390.486 2.857 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 8161772 XZZTUIHKWOGFJJ-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB O=C(Cn1nnn(-c2ccccc2)c1=O)N[C@H](Cc1ccccc1)c1ccccc1 8186516 WLSFEOZYWUILAM-OAQYLSRUSA-N 399.454 2.529 0 40 GFAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 8413672 YFQANVKUIQIDIK-UHFFFAOYSA-N 398.415 2.682 0 40 GFAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059964 GINKRXTURSMZJN-CQSZACIVSA-N 384.871 2.582 0 40 GFAB O=C(NCCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 9336198 OSNTUGIBFJEFPE-UHFFFAOYSA-N 379.460 2.684 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)CCc3ccc4c(c3)OCCO4)CC2)cc1 10165630 CYYBRSJYAXVBHD-UHFFFAOYSA-N 394.471 2.942 0 40 GFAB COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1OC 11694811 FKIIGMYGMSPYQL-VMDGZTHMSA-N 393.447 2.954 0 40 GFAB COc1cccc([C@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1 12188457 NSXJUJBHBISQLA-OAQYLSRUSA-N 386.467 2.995 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1 12422933 KMTIRCITDJOUCL-GFCCVEGCSA-N 394.456 2.604 0 40 GFAB O=C(CCNC(=O)c1ccccc1)NCC(=O)Nc1cc(Cl)ccc1Cl 12755503 CGUUUTLBSUBXFQ-UHFFFAOYSA-N 394.258 2.868 0 40 GFAB O=C(CCn1nc(-c2cccs2)oc1=O)NCCc1cccc2cccnc12 12777392 JCOHXEBWIPPMEL-UHFFFAOYSA-N 394.456 2.862 0 40 GFAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cnn(-c2ccccc2)n1 12806585 PBKXJXHQCSOIRG-UHFFFAOYSA-N 390.447 2.694 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(F)c(F)c1 12811451 RZGKOKLWRLGNPD-HXUWFJFHSA-N 385.370 2.902 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3c(c2)OCCO3)cc1OC 12935239 GMTZKJMFZCWLSJ-AWEZNQCLSA-N 386.448 2.934 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1ccccc1C(=O)O 12978354 QEMVRCOUJZZTNX-UHFFFAOYSA-N 388.445 2.549 0 40 GFAB COc1cccc([C@@]2(C)NC(=O)N(Cc3nc(-c4ccccc4)no3)C2=O)c1 13095402 FDPGARXFWUCQCN-HXUWFJFHSA-N 378.388 2.712 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2c(c1)OCCO2 15027528 AOCILJORKUELFA-HXUWFJFHSA-N 382.416 2.916 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2C)nc1C 15608188 IBEZRYLVHMNTIT-UHFFFAOYSA-N 375.450 2.695 0 40 GFAB C[C@H]1CN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C[C@H](C)O1 17325541 QUOFNDRSLMOCPU-GJZGRUSLSA-N 380.444 2.852 0 40 GFAB CC(=O)N1CCO[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1 19017883 HXQGKTUHZAFJQM-QHCPKHFHSA-N 396.462 2.931 0 40 GFAB Cc1cc(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)nc(C)n1 19117563 KMZCUYVDDFDGIA-UHFFFAOYSA-N 377.492 2.898 0 40 GFAB O=C(CN1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19369315 DMJRLICNUHHUCB-HXUWFJFHSA-N 394.519 2.923 0 40 GFAB CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n[nH]1 19447405 YAXULIYNOJXTMZ-LJQANCHMSA-N 382.512 2.754 0 40 GFAB CCOc1cc(CN2CCC[C@@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC 19531998 XXVPSXOGLBHACO-MRXNPFEDSA-N 387.480 2.703 0 40 GFAB CNc1cc(CNC(=O)Cc2ccc(OC)c(C)c2)nc(-c2ccncc2)n1 19571268 PUJVROMZCIFRDJ-UHFFFAOYSA-N 377.448 2.756 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)n1 19572956 RAUMBXGHZARRDO-ROUUACIJSA-N 396.539 2.635 0 40 GFAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3cnc4sc(C)cn4c3=O)n2)c1 19660204 PFNUFAFGIRAXRU-LBPRGKRZSA-N 395.444 2.914 0 40 GFAB Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)ncc1C(=O)N1CCCCC1 19765550 PQMAPRFSDJGONA-GOSISDBHSA-N 396.495 2.512 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1Br 19855557 ULQSRGHWLFEXFS-UHFFFAOYSA-N 397.294 2.532 0 40 GFAB Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C(=O)O 20156600 VJWXLGXRRBWTBU-UHFFFAOYSA-N 377.241 2.713 0 40 GFAB CC(C)c1nc2sc3c(N4CCN(CCO)CC4)ncnc3c2c2c1CCC2 20440404 OWIXCQHXFWOUJT-UHFFFAOYSA-N 397.548 2.966 0 40 GFAB CN(Cc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)o1)S(C)(=O)=O 20449829 KRJRGMYARYSTRF-MDZDMXLPSA-N 382.869 2.654 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc(=O)c2ccccc2[nH]1 21133969 CZQZSQGBLBSUQM-UHFFFAOYSA-N 386.839 2.656 0 40 GFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 21915362 YRUUAXXPJFQOTA-UHFFFAOYSA-N 386.395 2.933 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCCCC1 22248841 DESAERKBSQITJN-UHFFFAOYSA-N 388.917 2.762 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)nc1C 23074547 WMFJTEFKDXVKEO-LLVKDONJSA-N 391.424 2.759 0 40 GFAB C[C@H]1CN(CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 23111034 YLOGEJDRTNFZAO-KBPBESRZSA-N 392.887 2.548 0 40 GFAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1nc(-c2cccs2)no1 23126968 MTPWZPZWKJVKMQ-UHFFFAOYSA-N 380.385 2.799 0 40 GFAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 24435631 LOXQNPGNAVUBPY-KBPBESRZSA-N 392.452 2.876 0 40 GFAB Cc1sc2nc(CN3CCOCC3)nc(NCCCn3ccnc3)c2c1C 25784736 SDZJOJCKXQWIAE-UHFFFAOYSA-N 386.525 2.839 0 40 GFAB Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 27770740 ZWJVJYXTNDGVFR-CQSZACIVSA-N 392.525 2.743 0 40 GFAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 27975077 DOIBWWWBIUMGBE-CQSZACIVSA-N 376.840 2.993 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCCSc1nnnn1-c1ccc(O)cc1 28802462 XQEOEQFACIFWPG-UHFFFAOYSA-N 395.444 2.536 0 40 GFAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(O)c(OC)c2)nn1 32074337 JZBXYPNTMMMRRZ-GFCCVEGCSA-N 381.392 2.817 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c(F)c1 33232044 DNURXJFIXPLGSY-CQSZACIVSA-N 395.456 2.778 0 40 GFAB CN1CCN(CCCNC(=O)COc2ccc(F)cc2)[C@H](c2ccccc2)C1 36389784 ZIHHIAHGOBAQGO-NRFANRHFSA-N 385.483 2.700 0 40 GFAB CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21 37868121 LXBZRGSYONVLRN-UHFFFAOYSA-N 378.354 2.976 0 40 GFAB CN1CCN(C(=O)COCCOc2ccccc2)c2nc3ccccc3nc21 40132401 WEVRXWUILCXGCA-UHFFFAOYSA-N 378.432 2.508 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)N2CCOCC2)cc1 40282825 KMJZUFQSGKCADM-UHFFFAOYSA-N 382.420 2.761 0 40 GFAB O=C1N(c2ccccc2)Cc2nc(=O)n(Cc3ccc(Br)cc3)n21 40284092 RKPLTJGRXBJVMS-UHFFFAOYSA-N 385.221 2.844 0 40 GFAB Cc1noc(C2CCN(C(=O)CSc3ccc4c(c3)OCCO4)CC2)n1 54663934 MWLGLCFPNYLSNJ-UHFFFAOYSA-N 375.450 2.648 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(F)cc1 57563386 CMYYNRDHOTWIET-LJQANCHMSA-N 376.391 2.920 0 40 GFAB O=C(NO[C@H]1CCCCO1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 58420823 QVZIFOXPEJUHCR-BBRMVZONSA-N 386.370 2.628 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCc2ccc(F)cc2)cc1 67198592 NATCARZUWJJROA-UHFFFAOYSA-N 381.407 2.683 0 40 GFAB CC(C)N(C)S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889721 IDQHHVMSKBRIFV-MRXNPFEDSA-N 390.509 2.891 0 40 GFAB CCCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 72369609 MEJFEXXCGVOCCB-KRWDZBQOSA-N 399.539 2.919 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 73257869 CGPNWVMBMDTTMA-LEWJYISDSA-N 398.503 2.839 0 40 GFAB CC(C)Cn1cc(C(=O)Nc2cccc(-n3cnnn3)c2)c2ccccc2c1=O 79490396 MUIVLQKXWMYXTC-UHFFFAOYSA-N 388.431 2.886 0 40 GFAB CCOC(=O)[C@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)C1 89983552 GHWYGYNCWPWNON-OLZOCXBDSA-N 389.521 2.885 0 40 GFAB O=C(CCNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)Nc1ccccc1 95959111 CSRSCPJESOTVFA-GOSISDBHSA-N 381.432 2.563 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 96237781 JAKPVMRTRQKNNZ-OAQYLSRUSA-N 385.414 2.528 0 40 GFAB CS(=O)(=O)N1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96241357 JMRZPVSDFQOASR-UHFFFAOYSA-N 376.503 2.702 0 40 GFAB Cc1noc(C)c1CN1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 96242424 RSCRKKKPVRAXSC-UHFFFAOYSA-N 396.535 2.729 0 40 GFAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(C2CCCCC2)C1=O 101984027 NDOYUNMDOKCWME-AWEZNQCLSA-N 393.447 2.938 0 40 GFAB CCN(CC(=O)NCc1ccccc1OC)Cc1ccc(C(=O)N(C)C)cc1 102931526 ZMADWCCLXYGMMN-UHFFFAOYSA-N 383.492 2.535 0 40 GFAB COc1ccc(CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222437924 VSQPDVSUHIDGDF-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB CCCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)NC)c1 225413184 ZEGLEVIRYYPZAW-UHFFFAOYSA-N 390.505 2.746 0 40 GFAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 226856049 MYIPCZBUWFHLLO-UHFFFAOYSA-N 383.809 2.952 0 40 GFAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1cccc(Cl)c1)C2)N1CCCC1 247723691 BDMVUMJVMJRXLA-SFHVURJKSA-N 378.900 2.712 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1 253445647 XTSZKCHOSFJDEX-UHFFFAOYSA-N 388.917 2.522 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3cncnc3)CC2)ncn1 257215118 COTVXXHSJGFZNY-UHFFFAOYSA-N 378.436 2.633 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 408551737 IMIUVYXFJGKVFM-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408593163 LSUCAQVYIZDFPZ-CQSZACIVSA-N 387.288 2.629 0 40 GFAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(N)=O)cc2)S1 408806527 JNTOVIVYSCLSQV-UHFFFAOYSA-N 398.464 2.631 0 40 GFAB COCc1ccccc1/C=C(\C)CN1CCN(c2cc(C)nc3ncnn23)CC1 507212194 NIGJMUPAEDKCOQ-SFQUDFHCSA-N 392.507 2.805 0 40 GFAB CCc1ocnc1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 567105564 YWXURELBUYVSTB-OLZOCXBDSA-N 393.237 2.940 0 40 GFAB COc1ccc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(C)c1OC 585084407 RVFFASHTFDFZID-SFHVURJKSA-N 396.553 2.839 0 40 GFAB Cn1c(=O)c(CNC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc2ccccc21 664944121 GHACPRNAHGSSMD-YZGWKJHDSA-N 377.419 2.815 0 40 GFAB Cn1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(-c2ccco2)n1 666345735 CPUYEAYNMZYMHM-UHFFFAOYSA-N 378.432 2.733 0 40 GFAB O=C(Cc1ccsc1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615156536 JNMPZDGMGITMNS-FQEVSTJZSA-N 388.464 2.854 0 40 GFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)nc2)nn1 1888853131 WXNBUSXVKUYVFN-YIONKMFJSA-N 395.385 2.847 0 40 GFAB CN1CCN(Cc2ccccc2NC(=O)c2cc3ccccc3oc2=O)CC1 2037850102 VUBPFLYCINXRLZ-UHFFFAOYSA-N 377.444 2.793 0 40 GFAB CSc1ccccc1NC(=O)N1CC2(C[C@@H](N3CCOCC3)CS2)C1 2056224276 SWCRWEYPEKBQOW-CQSZACIVSA-N 379.551 2.833 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)CSc1nc2ccccc2[nH]1 806237 RAACPYFTBOFVNV-UHFFFAOYSA-N 399.428 2.624 0 40 GFAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C 3482771 FYLWXRBDOWSGMM-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB Cc1ccc(NC(=O)CSC2=NC(=O)[C@@H](Cc3ccccc3)C(=O)N2)cc1 884890 KNDKZELMSXGXMB-UHFFFAOYSA-N 381.457 2.538 0 40 GFAB O=C(Cc1ccc(Cl)cc1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 12408933 PRDRCYOCNBRTEE-UHFFFAOYSA-N 393.834 2.621 0 40 GFAB Cc1nn2c3c(sc2nc1=O)C(=O)N(c1cc(Cl)cc(Cl)c1)C3=O 956220 WPZFXDGKYQUZFV-UHFFFAOYSA-N 381.200 2.567 0 40 GFAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)c(OC)c1 955883 FEFRCBOIDRKCRO-GOSISDBHSA-N 392.419 2.618 0 40 GFAB CCOc1ccc(CCNC(=O)c2ccccc2S(C)(=O)=O)cc1OCC 23686854 QCKBBDMJRHJFOD-UHFFFAOYSA-N 391.489 2.860 0 40 GFAB COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 8092329 BXTAVWIWUVLASY-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB CSCC[C@H](C(=O)Nc1ccccc1C(=O)O)N1C(=O)c2ccccc2C1=O 8429425 XWEIDLKYOFWVHH-MRXNPFEDSA-N 398.440 2.741 0 40 GFAB CN1CCc2nc(NC(=O)CSc3ccc4c(c3)OCCO4)sc2C1 24152178 AAZIWFCOUAFFBJ-UHFFFAOYSA-N 377.491 2.633 0 40 GFAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1C[C@H]2CC[C@H]1C2 105699256 ZPBMEZXJPKFSKL-WBTNSWJXSA-N 393.505 2.563 0 40 GFAB CCOc1ccc(C(=O)COC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1 25084802 KJRDIZWNHQFIER-UHFFFAOYSA-N 395.411 2.806 0 40 GFAB Cc1nn(C(=O)COc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCC1 9569763 YDQKSDMTCWVMLF-UHFFFAOYSA-N 397.884 2.657 0 40 GFAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 12543990 VVFSSSPCZOSQPL-UHFFFAOYSA-N 388.489 2.667 0 40 GFAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccc(=O)oc2c1 108396810 AOWYMTBFBZWPOG-OXJNMPFZSA-N 392.455 2.809 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(C(F)(F)F)cc1 12624339 KJSPUXBWOBMPCF-UHFFFAOYSA-N 397.397 2.966 0 40 GFAB Cc1nc2ccc(NC(=O)CN3[C@H]4CC[C@H]3CC(O)(c3ccco3)C4)cc2[nH]1 100128878 UDWOAMXGLDJPDC-HOTGVXAUSA-N 380.448 2.917 0 40 GFAB CCCS(=O)(=O)NC1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 44505945 PFPYEQKIMKKGRB-HNNXBMFYSA-N 384.567 2.629 0 40 GFAB COC(=O)/C=C1/CC[C@H]2[C@@H]3C[C@@H](F)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118917864 AHLOUXATKVXJKD-ASYJQEATSA-N 392.467 2.940 0 40 GFAB CCc1[nH]c(C(=O)NCCc2ccc(-n3cccn3)cc2)c(C)c1C(=O)OC 10222750 ZIOUMBAEEQXPPM-UHFFFAOYSA-N 380.448 2.830 0 40 GFAB NC(=O)N[C@H](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1F 27843606 LMVLSGKHHKWFMG-HNAYVOBHSA-N 384.455 2.568 0 40 GFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 3354290 XYOVFZISARUCQL-JOCHJYFZSA-N 377.444 2.823 0 40 GFAB COCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccncc1 3304386 LMGRJOUEKVJDKY-GJZGRUSLSA-N 389.525 2.868 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccc(F)cc1Cl 102624869 JROCTOCCUYECGG-JHNDHUHGSA-N 389.814 2.699 0 40 GFAB Oc1cc(CSc2nnnn2-c2ccccc2)nn1-c1nc2ccccc2[nH]1 101992808 QHNVXWPIODSRME-UHFFFAOYSA-N 390.432 2.722 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 36391121 HVNYXPADWXCAHX-UHFFFAOYSA-N 379.309 2.927 0 40 GFAB COc1cc(OC)c(C2=CCN(c3nnnn3-c3ccccc3)CC2)c(OC)c1 11005124 XKBDPERBPDAHSU-UHFFFAOYSA-N 393.447 2.982 0 40 GFAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1cnn(C)c1 12850436 VNRORABYRLBIPS-UHFFFAOYSA-N 393.465 2.652 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CCNC(=O)[C@@H]3C[C@H]3C)cc2F)C[C@@H](C)O1 46069083 DKPAXGFBBYDTEP-HGTKMLMNSA-N 377.460 2.540 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4ccccc43)C2=O)cc1 3461010 OKORZLQUFZPBBB-CVDCTZTESA-N 391.471 2.956 0 40 GFAB CSc1nc2nc(C)c(CCC(=O)NCCc3cccc(F)c3)c(C)n2n1 12989085 ZIGXMQIAAJEQIF-UHFFFAOYSA-N 387.484 2.894 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)N1CCCc2ccccc21 6005329 MCVMDEBMRZVNDD-UHFFFAOYSA-N 387.457 2.535 0 40 GFAB Cc1cnc(C(=O)OCc2cccc(COC(=O)c3cnc(C)cn3)c2)cn1 6349072 RXTZWZCECNFDHT-UHFFFAOYSA-N 378.388 2.597 0 40 GFAB O=C(CCn1cnc2ccsc2c1=O)Nc1ccc(N2CCCC2=O)cc1 14125322 ZIMWGGMBWQDBDY-UHFFFAOYSA-N 382.445 2.614 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 6558444 MMODVSPLJCBPFD-OUKQBFOZSA-N 390.395 2.756 0 40 GFAB Cc1cccn2c(=O)c3cc(C(=O)NCCc4c[nH]c5ccccc45)n(C)c3nc12 6586673 ASHFMFJONJOGOF-UHFFFAOYSA-N 399.454 2.948 0 40 GFAB CCc1nnc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)s1 6789382 VKXICXHGDBMSJD-UHFFFAOYSA-N 375.841 2.861 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22271944 PSTAWDKWSBKBOB-AWEZNQCLSA-N 394.468 2.641 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)COc1cccc2ccccc12 5938412 QGCVXVIBDGQOQQ-UHFFFAOYSA-N 384.413 2.561 0 40 GFAB CC1=NCCN1S(=O)(=O)c1ccc(Br)cc1Br 19797760 MZILIUFVKVDDPY-UHFFFAOYSA-N 382.077 2.634 0 40 GFAB Nc1nonc1C(=O)NCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 7539057 CILOKCNWEDIIHX-UHFFFAOYSA-N 396.234 2.738 0 40 GFAB NC(=O)[C@H]1CCCN(C(=O)COc2ccc(C3SCCCS3)cc2)C1 70010140 NMXQYKPBWCNIEU-AWEZNQCLSA-N 380.535 2.658 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)C[C@@H]1Sc2ccccc2NC1=O 8423448 VICYJURLEUXYSM-KRWDZBQOSA-N 383.473 2.807 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)COc1ccc(C2SCCCS2)cc1 18149564 YNDFDDMQAPLRHR-ZDUSSCGKSA-N 382.551 2.965 0 40 GFAB CC(C)N1CCC(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1 8746099 ZMDJYFGMRNNPHP-UHFFFAOYSA-N 390.487 2.988 0 40 GFAB COC(=O)NCC(=O)N(CCCN(C)C)C(c1ccccc1)c1ccccc1 72277469 HZVBPYNZIXERNG-UHFFFAOYSA-N 383.492 2.912 0 40 GFAB CCc1noc(-c2ccc(C)c(NC(=O)N[C@H](C(N)=O)c3ccccc3)c2)n1 97117607 ZBALMDXGIIJEEV-KRWDZBQOSA-N 379.420 2.956 0 40 GFAB COc1cc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc(Br)c1OC 62714902 OGNXHQWYMCSCRX-GJBLVYBDSA-N 386.242 2.705 0 40 GFAB Cc1ccc(C)c(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)N(C)C)c1 20244743 OBHBLLDNBLNFAW-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB O=C(c1cccs1)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306132403 LHSWZHUQKVLQMB-DLBZAZTESA-N 378.457 2.666 0 40 GFAB Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1C 408733979 UACSDXPGUDFCNJ-ROUUACIJSA-N 399.450 2.780 0 40 GFAB COc1cccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1 38663222 RVPPJGXQEKHYAJ-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB C[C@@]1(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C(=O)N=C2C=CC=CN21 72346717 RHYKWIUJWVYOSK-HRAATJIYSA-N 375.432 2.699 0 40 GFAB CCc1nc(-c2cc(S(=O)(=O)NCCc3ccccc3)ccc2OC)no1 33013360 BVOKCHXWHFDIHZ-UHFFFAOYSA-N 387.461 2.829 0 40 GFAB CC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)cc1 32642963 CXRRWYCEUHVXBM-UHFFFAOYSA-N 376.416 2.921 0 40 GFAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3ccco3)nc2-c2cccs2)on1 72337019 ZMFCXUAPNFUPBO-UHFFFAOYSA-N 396.428 2.845 0 40 GFAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)Nc1ccccc1F 72347194 BVXQBTIAXDHZPB-UHFFFAOYSA-N 377.379 2.699 0 40 GFAB CCn1nccc1[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619026 SRSNDPYZPGCFGP-GFCCVEGCSA-N 379.399 2.638 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)CCNS(=O)(=O)c2ccccc2)c1 32788920 NFYBIKBIQRVGSP-UHFFFAOYSA-N 390.505 2.509 0 40 GFAB Cc1nc(N)ncc1C(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362671 BIMQLZMHMVSIIA-OAHLLOKOSA-N 390.447 2.969 0 40 GFAB Cc1nc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)co1 225890530 XNDJKXMBWAWOEO-LJQANCHMSA-N 377.400 2.707 0 40 GFAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCCCO)cc1 222991927 FWNPKIAHMXUBCK-GOSISDBHSA-N 398.503 2.544 0 40 GFAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 223705794 LTDWRLAHERDPSV-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 222674573 ARVHDEGSPAEFAQ-UHFFFAOYSA-N 396.459 2.870 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccccc1 222770492 BBWKVRAZTVWLPP-UHFFFAOYSA-N 397.500 2.769 0 40 GFAB CC(=O)N1CCC(NC[C@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)CC1 96112688 DKHBDEIZIAYSHL-HNNXBMFYSA-N 396.413 2.727 0 40 GFAB biogenic,in-vitro CN1C(=O)CO[C@H](C(=O)Nc2ccc(-n3cccn3)cc2)[C@@H]1c1ccc(F)cc1 96181656 CSDQJZZTNCFFGN-PMACEKPBSA-N 394.406 2.548 0 40 GFAB CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(c4ccncn4)C3)ccc2c1N 257211374 BYQCUAYDGLQRCG-FQEVSTJZSA-N 396.520 2.928 0 40 GFAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)n1 257274019 NJFGPHOPUJEEBZ-INIZCTEOSA-N 392.463 2.942 0 40 GFAB CN(C)S(=O)(=O)N1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 257248479 JDVJRXHEWRIFAJ-FUHWJXTLSA-N 394.537 2.824 0 40 GFAB Cc1ncsc1C(=O)N1CCC(Cc2cncc(-c3nccn3C)n2)CC1 257280773 OMJSZQRFWBURCB-UHFFFAOYSA-N 382.493 2.737 0 40 GFAB CCN1CCN(Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257239532 HPTLAQWRIZGLDG-FQEVSTJZSA-N 389.503 2.995 0 40 GFAB O=C(N[C@H]1CC2(CCNCC2)Oc2ccccc21)[C@@H]1CNCc2ccccc21 1122224718 OVVKCQXCTHWXEP-UXHICEINSA-N 377.488 2.636 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@@H]3C[C@@H](C(=O)O)c4ccccc43)c(O)nc2C1 653330348 DOLWBURTNCZNDF-CZUORRHYSA-N 394.427 2.985 0 40 GFAB CN1C[C@H](NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)C(C)(C)C1 1156590683 OIIWWGHNOAYHJD-IBGZPJMESA-N 391.475 2.885 0 40 GFAB C[C@@H](C(=O)O)[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O 299817187 KORXLQCISNSYKQ-MLGOLLRUSA-N 387.436 2.520 0 40 GFAB in-vitro O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 96099549 KYWMGTLUQVDVCR-GXDHUFHOSA-N 395.502 2.660 0 40 GFAB O=C(Cc1cccs1)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 390826523 AAWHRMAOYQYDBA-UHFFFAOYSA-N 375.475 2.631 0 40 GFAB CN(C[C@@H]1CC2(CCN(C(=O)c3ccccc3)CC2)CO1)[C@H]1CC[C@H](O)CC1 585105106 YGRRXSUICMAAAA-ACRUOGEOSA-N 386.536 2.933 0 40 GFAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)[C@H]1CCCO1 78597054 YBQFZZMUBCLJQN-IAQYHMDHSA-N 396.490 2.552 0 40 GFAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCC(=O)OC 5000752 LTDQBCBHKKBWFA-WJDWOHSUSA-N 381.384 2.982 0 40 GFAB O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 11508333 CQTSQBPKTRGZEY-QGZVFWFLSA-N 388.414 2.995 0 40 GFAB O=C(c1cnn2cccnc12)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088563 RUSYARTVSAUIQT-INIZCTEOSA-N 385.431 2.601 0 40 GFAB Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 12229558 DHIYSLIMGDOIRB-CVEARBPZSA-N 378.519 2.676 0 40 GFAB c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCCC[C@@H]2[C@H]1N1CCOCC1 12523764 NNKLHIKTXJPZQM-ZNLUXHQJSA-N 382.508 2.598 0 40 GFAB Nc1nc(CCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cs1 12671063 IREDHWRAGBMRNG-UHFFFAOYSA-N 384.465 2.509 0 40 GFAB C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 13059941 FGNJTONCCMPPQW-AWEZNQCLSA-N 399.944 2.937 0 40 GFAB CCOc1ccc(C(=O)NC2CCN(C(=S)NCc3ccco3)CC2)cc1 13477691 BOOYORXTIXMNBI-UHFFFAOYSA-N 387.505 2.947 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19078498 RPDOHJNRDBCLNW-JKSUJKDBSA-N 398.482 2.777 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1 19170977 WJEIPQMOQIWLND-UHFFFAOYSA-N 382.869 2.828 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)C3N2CCCCC2)cc1 19556948 CAGDCRCNGWPSHF-XEWABKELSA-N 378.538 2.970 0 40 GFAB COc1ccc2sc(NC(=O)Cn3nc(OC)c4ccccc4c3=O)nc2c1 19563721 KCHJAXRPLMXOAR-UHFFFAOYSA-N 396.428 2.662 0 40 GFAB CCCOc1ccccc1CN1C[C@H](NC(C)=O)CC12CCN(C(C)=O)CC2 19704116 KSVVCQCDZHKVDD-HXUWFJFHSA-N 387.524 2.567 0 40 GFAB COc1ccc(-c2cc3nc(C)c(C)c(N4CCN(C(C)=O)CC4)n3n2)cc1 35315437 RIMRLKVBNPECFY-UHFFFAOYSA-N 379.464 2.690 0 40 GFAB CCO[C@H](CS(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1 625195334 ZRPRENNLQPUIDE-GOSISDBHSA-N 388.480 2.622 0 40 GFAB COc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc2c1OCO2 12667674 PAQZNOFPBLKMKT-HNNXBMFYSA-N 395.463 2.737 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)c(OC)c2)C1=O 4477177 CIDZDRHOKPOAHR-OAQYLSRUSA-N 382.416 2.744 0 40 GFAB COc1cc(NS(=O)(=O)c2cc(C(=O)O)cs2)c(OC)cc1Cl 15245934 GMYHBOACXMSGCN-UHFFFAOYSA-N 377.827 2.918 0 40 GFAB O=C(O)c1ccc(CNC(=O)c2ccccc2I)cc1 13166405 WXOGCAAHZBGZSO-UHFFFAOYSA-N 381.169 2.919 0 40 GFAB Cc1cnn(C)c1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988874 MHVLPIYZFBQLMQ-NRFANRHFSA-N 386.471 2.656 0 40 GFAB O=C(c1cncc(F)c1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037989116 WCLNTBXULWLUOI-NRFANRHFSA-N 383.423 2.649 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3Cl)CC2=O)cc1 9035796 WVEUBFZMUUFJBM-CYBMUJFWSA-N 394.880 2.680 0 40 GFAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCCc4ccccc43)cn2)cc1 13807163 SUPFYPUPZMKQRU-UHFFFAOYSA-N 375.428 2.898 0 40 GFAB Cc1nc2sc([C@@H](c3cccs3)N3CCC4(CC3)OCCO4)c(O)n2n1 23158212 MGZNCTZJEFHRHS-CYBMUJFWSA-N 392.506 2.795 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)nn2)cc1 32056384 NQZGDXYIQCRZLG-UHFFFAOYSA-N 389.459 2.610 0 40 GFAB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1O 9418527 OEKZHFOTDXDUFC-UHFFFAOYSA-N 395.463 2.507 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)c3c(C)noc3C)c2N)cc1 19213110 OJXWSBUPMMOAJL-QGZVFWFLSA-N 393.447 2.855 0 40 GFAB Cc1csc(CNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 40121851 YETREZZOIILCRP-UHFFFAOYSA-N 394.460 2.631 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116594 UXKGQHAIFNUBIY-APPDUMDISA-N 385.386 2.633 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 40153391 LNYRRIAFSLFFOW-HNNXBMFYSA-N 395.850 2.590 0 40 GFAB CC1(C)CC(=O)c2sc(NC(=O)CNC(=O)NCC3CCCC3)nc2C1 50586182 PCIRXVPIOKBVJI-UHFFFAOYSA-N 378.498 2.726 0 40 GFAB COc1c2c(cc3c1[C@@H](c1nnnn1-c1c(C)cccc1C)N(C)CC3)OCO2 20411228 JLAHNPLKLYVUIV-SFHVURJKSA-N 393.447 2.594 0 40 GFAB biogenic COc1cccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c1 51356724 BNWMFPPMLFDOQF-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB O=C1COc2ccc(S(=O)(=O)Nc3ccccc3N3CCCCC3)cc2N1 32899914 SLWBEGCWGSAHRP-UHFFFAOYSA-N 387.461 2.809 0 40 GFAB CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(NS(C)(=O)=O)n1 32903438 LUDVOSRWAODVCH-UHFFFAOYSA-N 393.943 2.821 0 40 GFAB Cc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1C 33024226 DCHLYIOXEMYIFN-IBGZPJMESA-N 383.492 2.970 0 40 GFAB CN(Cc1csc2ccccc12)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103230628 ZCNZLZPVCQVYDI-OYUDYFSCSA-N 380.469 2.667 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 53281593 PMZURQZOEOMFSY-UHFFFAOYSA-N 380.297 2.576 0 40 GFAB Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(C)cc3)n(C)n2)cc1 2798458 XUQGPMBQIHVWKA-UHFFFAOYSA-N 376.460 2.897 0 40 GFAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(O)cc1 8843360 ITUNBSPMJQDPAN-GOSISDBHSA-N 387.461 2.851 0 40 GFAB CN(c1ccccc1C(=O)OCCCOc1ccc(F)cc1)S(C)(=O)=O 23076724 JNTMZBHFENBXLW-UHFFFAOYSA-N 381.425 2.847 0 40 GFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccccc2)no1 4875610 WRDBBMDDIXZDEE-UHFFFAOYSA-N 398.463 2.794 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nc(-c4ccccc4)n[nH]3)nc2c1 6465840 FIHBIPNFXGRJKE-UHFFFAOYSA-N 393.428 2.787 0 40 GFAB CCOC(=O)Cc1csc(SCCN2C(=O)c3ccccc3C2=O)n1 6612775 QRGMLJOVXSGJOI-UHFFFAOYSA-N 376.459 2.637 0 40 GFAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026041 NJOCYUZPINPQEU-JTQLQIEISA-N 396.852 2.722 0 40 GFAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(Cc2cccs2)CC1 23731054 RIDRFQWCGFSUSB-UHFFFAOYSA-N 385.489 2.781 0 40 GFAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1F 24210220 PKMXIYRFWGNOJR-KRWDZBQOSA-N 398.887 2.831 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 24992292 LTCMGKGQUCTNFK-IBGZPJMESA-N 375.432 2.570 0 40 GFAB Cc1cc(CN2CCN(C(=O)Nc3cc4c(cc3Cl)OCCO4)CC2)on1 43903287 XRKMGZPDSNQYCX-UHFFFAOYSA-N 392.843 2.757 0 40 GFAB O[C@H](CNc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(Cl)cc1 29997499 VHUXDNVQPUAXQS-MRXNPFEDSA-N 388.903 2.871 0 40 GFAB c1ccc(CN2C[C@@H]3CC[C@H](NC4CCN(C[C@H]5CCOC5)CC4)[C@H]3C2)cc1 108386729 QDUABLWEOHMWCC-KJBBBAAKSA-N 383.580 2.988 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCCO3)cc1 3269427 JTFKTSXCXGOYFD-LBPRGKRZSA-N 384.388 2.600 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@@H]1CCCc2ccccc21 20030183 YEPNRRHVTNFUHN-GOSISDBHSA-N 388.489 2.898 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20568087 YRHRBQDOAFNAPZ-UHFFFAOYSA-N 381.885 2.900 0 40 GFAB CCOC(=O)C1=C(CN(CC)C(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1 58200995 VVJVDTKVFSXIDP-GOSISDBHSA-N 375.469 2.597 0 40 GFAB Cc1cc(=O)n2c(n1)N=C(N1CCc3ccccc31)N[C@H]2c1ccc(F)cc1 2194591 POSKFGKTQWBACU-LJQANCHMSA-N 375.407 2.891 0 40 GFAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCC(=O)O)ccc12 2107761 SNPXZLMZBFQGIK-CYBMUJFWSA-N 375.421 2.802 0 40 GFAB biogenic CCOc1cccc2c1OCC(C(=O)NCCC(=O)Nc1cccc(C)n1)=C2 58310192 CRWSANTYUXCIFA-UHFFFAOYSA-N 381.432 2.710 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CC(F)(F)F)[C@H](C)C1CC1)C2=O 108825585 AYSZCDSNTXBHKG-XWCIJXRUSA-N 389.418 2.677 0 40 GFAB O=C(NC[C@H](O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 36370094 ZIUCKUVGLBUGEA-IBGZPJMESA-N 377.444 2.586 0 40 GFAB biogenic CC(=O)c1ccc(N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1 57378468 JAWOFTDOBUXYGF-UHFFFAOYSA-N 385.895 2.981 0 40 GFAB O=C(CN1CCN(Cc2cc(-c3cccs3)on2)CC1)N1CCCCCC1 22785657 HUVQEFRFBSZRLR-UHFFFAOYSA-N 388.537 2.923 0 40 GFAB Cc1nc(-c2cccc(NC(=O)CN3CCC(C(=O)N(C)C)CC3)c2)cs1 60462921 VIEKZAHKTKYEHF-UHFFFAOYSA-N 386.521 2.857 0 40 GFAB O=C(NCc1ccccc1)c1c(O)n(Cc2ccccc2)n[n+]1Cc1ccccc1 3765447 GONNDZVGKYDHOD-UHFFFAOYSA-O 399.474 2.903 0 40 GFAB Cc1cc(C)nc(N[C@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)n1 49550054 RVSSZAKJOABMSB-INIZCTEOSA-N 379.342 2.516 0 40 GFAB COc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1S(N)(=O)=O 9114111 HHHVFHZIUFXGDX-CYBMUJFWSA-N 384.457 2.987 0 40 GFAB CC[C@H](C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 13718727 UTYMPOHVZSZTFC-KRWDZBQOSA-N 387.443 2.919 0 40 GFAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(c2ccccc2O)CC1 39984844 XFGLUCVKHMNKOK-UHFFFAOYSA-N 378.432 2.724 0 40 GFAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 6237212 RYZYTFCLNTZQKR-UHFFFAOYSA-N 376.453 2.589 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6237291 MSQDUFGSGFKXKW-XNTDXEJSSA-N 388.464 2.513 0 40 GFAB CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)CCCC4)CC2=O)cc1 13944130 RQJGSQXALPUDQK-CYBMUJFWSA-N 398.488 2.972 0 40 GFAB COc1ccc(CSc2nnc(SCC(=O)N3CCOCC3)s2)cc1 5211384 VENXZTGOZIDNNL-UHFFFAOYSA-N 397.547 2.790 0 40 GFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)C1 6346988 LKROYFFXNXCVBU-HZPDHXFCSA-N 387.505 2.678 0 40 GFAB Cc1ccc(C)c(Sc2ncccc2C(=O)OCC(=O)N2CCOCC2)c1 14199423 JFZGRZGOVSCVCP-UHFFFAOYSA-N 386.473 2.865 0 40 GFAB Cc1cccc(NC(=O)CSC2=NC(=O)[C@H](Cc3ccccc3)C(=O)N2)c1 4675778 MJTCKHZAERLFMI-UHFFFAOYSA-N 381.457 2.538 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@@H]3c1cccs1 6660672 NJIJFDLYKYIDQO-QGZVFWFLSA-N 384.457 2.970 0 40 GFAB COc1ccc(-n2ccnc(NCCc3ccc(OC)c(OC)c3)c2=O)cc1 6915060 PKHSSNICWXMVJS-UHFFFAOYSA-N 381.432 2.913 0 40 GFAB COc1ccccc1NC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9418576 QYQMEELEODMXSY-UHFFFAOYSA-N 382.420 2.582 0 40 GFAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)N[C@@H]1CCc2ccccc21 71769076 NRDAPYDKLIAGCP-GOSISDBHSA-N 379.435 2.997 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)no2)cc1 8132159 SAGOIJBZROZJQA-UHFFFAOYSA-N 388.453 2.687 0 40 GFAB O=C1CCc2cc(C(=O)CSc3nnnn3Cc3cccs3)ccc2N1 8232503 HQKUYCWPGCFZRT-UHFFFAOYSA-N 385.474 2.643 0 40 GFAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC[C@H]1CCCO1 8327067 YFFHETZNAAFILP-DZGCQCFKSA-N 383.477 2.591 0 40 GFAB O=C1NC(=O)[C@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 8694579 YXXRVSYQDSBZML-XMSQKQJNSA-N 375.428 2.871 0 40 GFAB CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(N1CCCCC1)C(F)(F)F 19939038 LCVXAVZPKSSCHW-KRWDZBQOSA-N 388.386 2.733 0 40 GFAB CCc1nsc(N2CCCN(C(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)n1 83830536 BJMRPKARRKEIPO-UHFFFAOYSA-N 399.520 2.728 0 40 GFAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 8745277 BWUPXFNXJPQJHO-UHFFFAOYSA-N 388.445 2.631 0 40 GFAB O=C(NS(=O)(=O)N1CCCCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 72015984 LPEMEGQOFQSSCV-STQMWFEESA-N 376.400 2.656 0 40 GFAB COC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O 409246143 FQOKPTBABKMLFG-GZTJUZNOSA-N 380.400 2.640 0 40 GFAB CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 408994693 ZQFRICGJOQXNQM-OAHLLOKOSA-N 380.466 2.913 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(-c3ccco3)n2)c1 25438437 SXVQNUUANMMYGS-UHFFFAOYSA-N 393.490 2.644 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 20019495 AXEGKHBMDRNJRT-UHFFFAOYSA-N 398.431 2.917 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)OC 409016356 RPARYVYZBGFSDQ-LFIBNONCSA-N 396.399 2.734 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 408607778 QIYJFPOQZPFOJU-JTQLQIEISA-N 386.832 2.793 0 40 GFAB CCn1ccc(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3c(C)noc3n2)n1 36617996 PBLIWKXZDRHYRF-LLVKDONJSA-N 393.451 2.948 0 40 GFAB O=C(Cn1cnnn1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396414 RAXLEFUDCSYRPC-MRXNPFEDSA-N 387.447 2.623 0 40 GFAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c1=O 38655421 FELKFURZXXOCBF-UHFFFAOYSA-N 382.807 2.935 0 40 GFAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(-c2cccs2)n[nH]1 38679676 XIHPGPVWZAUVRS-ZWNOBZJWSA-N 390.490 2.875 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)cc1 226035253 VNFYBJPXIUCJBQ-UHFFFAOYSA-N 391.474 2.564 0 40 GFAB CSc1nnc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)s1 223159381 WBVVTMXWPXCUCD-UHFFFAOYSA-N 390.537 2.741 0 40 GFAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1C 224843900 NEPMBWSCYUMXSJ-UHFFFAOYSA-N 391.445 2.768 0 40 GFAB CCOc1ccc(S(=O)(=O)NCC2CCN(c3ccccn3)CC2)cc1F 43955298 YICNVHOJGDVUBZ-UHFFFAOYSA-N 393.484 2.814 0 40 GFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225679483 DHVGZLFEAUPWAD-LBPRGKRZSA-N 389.458 2.598 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)ccc1C 223800752 RAWSWNZYJDALJW-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OCC(=O)NC)cc1 223279585 JBNMSJSBJXYUKO-UHFFFAOYSA-N 376.478 2.737 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1C 223858355 AARVOMVAJUYPHE-UHFFFAOYSA-N 399.472 2.754 0 40 GFAB Cc1occc1C(=O)N1CCC2(CC[C@H]2NS(=O)(=O)c2ccccc2)CC1 96051649 PLGCQUGZYSRMRE-GOSISDBHSA-N 388.489 2.951 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24682054 RSTBZHXPMDHEOI-HNNXBMFYSA-N 393.534 2.662 0 40 GFAB CC1(CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CCCC1 585138597 KLLZZZNRCVKZTK-UHFFFAOYSA-N 393.278 2.546 0 40 GFAB CCN1C(=O)C[C@H](C(=O)NCCN2CCC(F)(F)CC2)[C@H]1c1cccc(C)c1 585138792 YFDZWGSKPAQGTM-PKOBYXMFSA-N 393.478 2.752 0 40 GFAB CN(Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)COc1ccccc1 257206776 BEVUXJGFJVJNRZ-HXUWFJFHSA-N 398.503 2.560 0 40 GFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257238475 HLDQBCFPGWKEDS-ARILJUKYSA-N 379.455 2.943 0 40 GFAB C[C@H]1C[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)c2ccsc2S1(=O)=O 615066877 WUPVEBODPSVTBK-XVKPBYJWSA-N 393.412 2.537 0 40 GFAB COc1cc(N2CCN(C(=O)NC[C@@H]3Cc4ccccc4CO3)CC2)ccc1F 624512713 SLTKIOFKIOPVIY-IBGZPJMESA-N 399.466 2.807 0 40 GFAB COc1cccc([C@@H](C(=O)O)N2CCN(c3ncnc4sccc34)CC2)c1 634690626 PTFYBJDPZYQHFL-INIZCTEOSA-N 384.461 2.648 0 40 GFAB CC(C)(C)N1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 666854592 GOSBUZCQJXBUOK-LBPRGKRZSA-N 387.933 2.985 0 40 GFAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccccc1-c1c(F)cccc1F 666812795 KBGWHPMSTSDKHX-CVEARBPZSA-N 396.415 2.565 0 40 GFAB CCN1CCN(c2ccc(CNC(=O)N[C@H]3Cc4ccccc4[C@H]3C)cn2)CC1 1615178291 MRUYNIOWXQEIFR-UTKZUKDTSA-N 393.535 2.751 0 40 GFAB O=C(Cn1cnc2c1CCNC21CCOCC1)N[C@H]1CCCC12CCCCC2 1615553756 ZGMHDRYJHMDUOU-SFHVURJKSA-N 386.540 2.654 0 40 GFAB COc1cc(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)cc(OC)c1OC 90567374 XGGBOLITVGRGGW-UHFFFAOYSA-N 385.376 2.595 0 40 GFAB O=C(NCc1ccc(-c2ccoc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 390829678 FWEYFHVSVSZSFR-UHFFFAOYSA-N 378.384 2.608 0 40 GFAB CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)C3CC(F)(F)C3)CC4)c2C1 585110405 QECQSTHBBBDJLI-UHFFFAOYSA-N 386.446 2.995 0 40 GFAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C2)n1 585291074 JHHKWKZJEIEQLD-NFAHFFEMSA-N 375.436 2.676 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 36768244 GHBKBUCFSVHTSY-OAHLLOKOSA-N 384.407 2.608 0 40 GFAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(Br)c(C)c1 48353811 CXCKGQWUUDFFET-UHFFFAOYSA-N 399.266 2.666 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(C(F)(F)F)c2)c1 13960210 ZRRYLPVTISPRSX-FZKCQIBNSA-N 391.349 2.617 0 40 GFAB Cc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365935 GPBMMKKNJWTVGV-DHIUTWEWSA-N 394.515 2.952 0 40 GFAB C[C@@H](CNC(=O)[C@](C)(O)c1ccccc1)n1nc(-c2cccs2)ccc1=O 19456405 NSEWJWLULQUARO-VBKZILBWSA-N 383.473 2.557 0 40 GFAB CN(C)c1ccc(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1 19584815 RCVSOTBYMZPQDH-UHFFFAOYSA-N 385.483 2.605 0 40 GFAB CN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1 19589865 WBTBTDFNXSZPEC-IBGZPJMESA-N 382.899 2.712 0 40 GFAB Cc1cc(C)cc(C2(C(=O)NC[C@@H](C(C)C)N3CCOCC3)CCOCC2)c1 19662085 JWMKJNLJYPNEQW-NRFANRHFSA-N 388.552 2.825 0 40 GFAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)C(C)C)n1 19700851 YNFXABKEKLNEFD-AWEZNQCLSA-N 399.470 2.792 0 40 GFAB CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930302 HHSBWBAGBSQALA-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)NCc1ccco1 35312084 GBZSJENHJPVWAX-UHFFFAOYSA-N 398.488 2.660 0 40 GFAB COCCc1ncc(CN2CCCC[C@H]2c2nc(C)c3c(n2)N(C)CCC3)cn1 19706259 YVQQCIWSTSWPIR-IBGZPJMESA-N 396.539 2.874 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(OC)cc2F)c1 5088619 FNWOFLMJWYVNDG-UHFFFAOYSA-N 375.352 2.725 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)c1ccc[nH]1 5702585 LMELUJTZHTZQII-UHFFFAOYSA-N 379.507 2.949 0 40 GFAB CC(=O)N1CCN(c2ccc(C)cn2)C[C@@H](Cc2ccnc3cccnc23)C1 2037838316 CTQYHOMVSXGYPF-SFHVURJKSA-N 375.476 2.861 0 40 GFAB Cc1nc(CN2CCOC3(CCN(C(=O)CCc4ccc[nH]4)CC3)C2)cs1 1565548325 XQBBCMABXNTKCV-UHFFFAOYSA-N 388.537 2.606 0 40 GFAB CN([C@@H]1CCCN(Cc2ccccc2Br)C1)S(=O)(=O)C1CC1 2086889674 LCXCQLVLJIDFBG-CQSZACIVSA-N 387.343 2.838 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccnc(-c3cnn(C)c3)c2)cc1Cl 575618794 OXOLRMNPRUHJAF-UHFFFAOYSA-N 392.868 2.623 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148297 XHUXCVIFKARINC-IBGZPJMESA-N 399.468 2.960 0 40 GFAB O=C(NCCn1ncc2c(NCc3ccco3)ncnc21)c1ccc(F)cc1F 38484227 HNYMJTWMMXRJGT-UHFFFAOYSA-N 398.373 2.740 0 40 GFAB C[C@H]1CN(C(=O)CNc2ccccc2C(=O)NCc2ccccc2)C[C@H](C)O1 6653345 DGRXITACZCWSAU-IRXDYDNUSA-N 381.476 2.664 0 40 GFAB COc1cc2c(c(NC(=O)c3nn(-c4ccccc4)nc3C)c1OC)C(=O)OC2 19625232 KQIXOBKAGZBVGB-UHFFFAOYSA-N 394.387 2.516 0 40 GFAB biogenic,in-vitro COc1ccc(-n2ncc(C(=O)NC3CCC(C)CC3)c2C(F)(F)F)nn1 40050033 ZRBOZBOVBBWDGG-UHFFFAOYSA-N 383.374 2.998 0 40 GFAB CC(=O)NCc1ccc(-c2csc(CN3C(=O)c4ccccc4C3=O)n2)o1 30448498 BCJAPMQQBKCGDE-UHFFFAOYSA-N 381.413 2.835 0 40 GFAB COc1c2c(cc3c1[C@H](C[C@@H](O)[C@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 100755113 TWOLFEWIKVSGFO-HRCADAONSA-N 377.481 2.909 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100769902 YIBMUIHHMYIIKU-WOJBJXKFSA-N 392.521 2.969 0 40 GFAB C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100788164 GFSSTFKBUHKJGQ-OHYFQZGNSA-N 393.468 2.944 0 40 GFAB CC(C)c1nnc2ccc(N3CCC(C(=O)NCCc4ccccc4)CC3)nn12 20736624 NTGGNRXVIZAUEV-UHFFFAOYSA-N 392.507 2.823 0 40 GFAB COc1cc(OC)c(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1Cl 20744459 ZAAUUCMRUFSUGV-UHFFFAOYSA-N 377.763 2.724 0 40 GFAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N1c2ccccc2C[C@H]1C 32736229 MCTJMCGVOQZUAD-HUUCEWRRSA-N 376.416 2.790 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 32871790 RZUSXEFXQHJZGN-UHFFFAOYSA-N 396.472 2.886 0 40 GFAB O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(C2CCCCC2)CC1 41251784 FNHAERJPMULEIY-UHFFFAOYSA-N 394.519 2.777 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)C(C)C)c1 32995854 MKFABUVPCFUWRK-FXAWDEMLSA-N 382.460 2.706 0 40 GFAB CN(CC(=O)NC(C)(C)C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 21937376 PHECBFLIXOAEJY-UHFFFAOYSA-N 393.915 2.565 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 12389077 UETXWOUJPTYJRV-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1 645289 VJZXDAYLNUETLV-UHFFFAOYSA-N 398.868 2.712 0 40 GFAB O=C1COc2ccc(NC(=O)c3ccc(I)cc3)cc2N1 22617127 BRMKYBGDGSDGRA-UHFFFAOYSA-N 394.168 2.874 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 23074683 MLMWYVUTHCONNR-UHFFFAOYSA-N 392.371 2.615 0 40 GFAB COCCn1ccc(=O)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 61719994 MUAGEPASHXAWBY-UHFFFAOYSA-N 384.354 2.839 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2cccc3cccnc23)CC1 24292889 VIDVMQMIOZHJIU-UHFFFAOYSA-N 385.464 2.880 0 40 GFAB CC[C@H](C)NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 25056219 IUZOYAAMUQUESB-NSHDSACASA-N 393.369 2.516 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)C1 57428757 ALEHPDYNXQXLJJ-GASCZTMLSA-N 397.500 2.718 0 40 GFAB COc1ccc(N(CCCC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1 113962574 DREPZNCDXUPJDQ-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1 20036823 HPTMLEFYTCNMKE-UHFFFAOYSA-N 377.418 2.510 0 40 GFAB Cc1cc(NC(=O)c2nc(C)sc2C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 72402255 VXAWYELDGWFOBO-GFCCVEGCSA-N 382.511 2.692 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 22130844 ASFIBNAJDKJNLN-UHFFFAOYSA-N 382.386 2.695 0 40 GFAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 28296036 YPAVXEAIXVXOEB-UHFFFAOYSA-N 392.440 2.842 0 40 GFAB CC[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 25346232 DRJSMRSANRGNGY-HXUWFJFHSA-N 386.517 2.854 0 40 GFAB Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)cc1 2226000 KGTGVDAAAWWKTF-UHFFFAOYSA-N 397.438 2.992 0 40 GFAB O=C(CNc1cccc(Cl)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11120911 REPAFGUZXQZYJU-KRWDZBQOSA-N 378.881 2.972 0 40 GFAB COc1cccc([C@H](NC(=O)c2ccc(OC)c(OC)c2)c2nccn2C)c1 29092986 BLEJFEQWQIQZOK-IBGZPJMESA-N 381.432 2.965 0 40 GFAB COC(=O)c1ccc2c(O)nc(CN(C)CCOc3ccccc3C)nc2c1 29149212 PLDGWJDZGZDPSB-UHFFFAOYSA-N 381.432 2.941 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@H](CCSC)C1=O)c1cccc2ccccc12 3360630 NDYBVXGDKCSSRZ-MRXNPFEDSA-N 385.489 2.866 0 40 GFAB Cc1ccc(Nc2nc(COC(=O)CN3C(=O)NC(C)(C)C3=O)cs2)cc1 3323846 WEDQCXAGFRLQPQ-UHFFFAOYSA-N 388.449 2.569 0 40 GFAB Cc1nn(C(=O)COc2ccccc2)c(C)c1S(=O)(=O)N1CCCCCC1 28297217 AHVZADXZBLNHLY-UHFFFAOYSA-N 391.493 2.784 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 2618292 PAQWERXJNOYTGM-UHFFFAOYSA-N 391.474 2.809 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 29992119 VEWYIBIBUNOXOB-UHFFFAOYSA-N 385.449 2.622 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 12866219 XWUMFJIUBZYDIE-UHFFFAOYSA-N 386.473 2.759 0 40 GFAB COc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3497940 LBAJEVHDQMYIQL-UHFFFAOYSA-N 377.780 2.551 0 40 GFAB CC1(CS(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)CCCCC1 97165068 KTOGBPLBONBKDF-UHFFFAOYSA-N 380.510 2.871 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1CCSc1ncnc2sccc12 6115374 YFVOOLOEJRTGFC-UHFFFAOYSA-N 377.472 2.628 0 40 GFAB CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCCCOC)c2c1=O 65113499 IEFGIKUBVGBZQD-UHFFFAOYSA-N 396.491 2.818 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 4385159 HVDNRHHWPBWTSS-HNNXBMFYSA-N 382.416 2.864 0 40 GFAB CC(=O)Nc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 14093091 JRPPALYOTXVKNP-OAQYLSRUSA-N 381.476 2.757 0 40 GFAB COc1cccc(CNC(=O)c2cc(Cn3cc(-c4ccncc4)cn3)on2)c1 66089092 UJIRZPJNWOQINM-UHFFFAOYSA-N 389.415 2.920 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 5577977 ZOJOFAGMNIHNJR-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccn1 5558949 LXTQFCBAPBBIQF-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2ccccc2)n1C 4814598 SFCDEIOXZVPTDB-UHFFFAOYSA-N 396.472 2.980 0 40 GFAB Cc1ccc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1F 7437601 JZFJDDTWGQZJQT-MRXNPFEDSA-N 393.484 2.579 0 40 GFAB COCc1c(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)oc2ccccc12 7987147 COPXWYKWWWRFDD-LBPRGKRZSA-N 388.445 2.718 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1noc(Cc2ccccc2)n1 69220198 BIRFCYWVHWXYME-UHFFFAOYSA-N 382.439 2.938 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 8257619 YSFFXBLWLASMDL-LLVKDONJSA-N 383.477 2.956 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 8262684 JMYPCTRGLQJBDB-UHFFFAOYSA-N 383.448 2.565 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H](C)c1cccs1 8312658 RFLRKIXUFQECRF-KBPBESRZSA-N 395.550 2.985 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1 8515170 GCKMUXCKHIQNQZ-OAHLLOKOSA-N 396.534 2.641 0 40 GFAB COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 95994184 DDTMMLPGXDXHPH-CZUORRHYSA-N 398.381 2.990 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 408615347 PFHQPFPFYMKEGO-QGZVFWFLSA-N 390.505 2.650 0 40 GFAB COc1cccc(NC(=O)Cn2cnc3c(oc4nc(C)cc(C)c43)c2=O)c1 32088498 XIPUMURHOMGLPP-UHFFFAOYSA-N 378.388 2.802 0 40 GFAB CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc4c(c3)OCO4)nc21 36617199 ZDXZFERWBSYAGK-UHFFFAOYSA-N 385.401 2.656 0 40 GFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c12 36616547 WDIBGRGANOGQPC-GOOCMWNKSA-N 379.464 2.892 0 40 GFAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCN(Cc2ccccc2)CC1 79494712 VZYHTTFIETTYJT-UHFFFAOYSA-N 397.519 2.649 0 40 GFAB CCC1(CC)CN(C(=O)c2cn(CCN)nn2)c2ccc(Br)cc21 563450451 RTSNLFQXKYTBOB-UHFFFAOYSA-N 392.301 2.718 0 40 GFAB CN1CCC(CNC(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCCO2)CC1 72371180 BGJSZKIGWNYAKK-JOCHJYFZSA-N 383.492 2.891 0 40 GFAB CCOc1ccc(CCCNS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 223295047 UXJLRXLKPGZPQD-UHFFFAOYSA-N 377.462 2.783 0 40 GFAB Cc1nnc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1 223414818 DMDBDQXLTDFIDW-LBPRGKRZSA-N 382.392 2.578 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 44246059 UJCFIZZLCZQWEV-CYBMUJFWSA-N 382.424 2.871 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 224712230 STWWNABALFUGJN-UHFFFAOYSA-N 398.506 2.509 0 40 GFAB CC(=O)c1cccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225946729 JDPVCEVENCTBEK-QGZVFWFLSA-N 378.425 2.647 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c1 223676314 AJJFEWFUGPJFLK-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB Cc1c(Cl)c(C(=O)N2CCC[C@@H](c3n[nH]cc3CN3CCCC3)C2)nn1C 578313578 TUIPYSINZBBLLC-CQSZACIVSA-N 390.919 2.721 0 40 GFAB COc1ccc2cc([C@H]3CC(=O)Oc4ccc5nsnc5c43)c(=O)[nH]c2c1 96232827 ZZUWHPSPFLWSIH-LLVKDONJSA-N 379.397 2.982 0 40 GFAB O=C(c1cnn2ncccc12)N1CCC2(CCN(Cc3ccccc3)C2)CC1 579548825 YOUPMIUZEWQVGR-UHFFFAOYSA-N 375.476 2.858 0 40 GFAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc2cnc(C)n2c1 585080938 ZMZSIVMOEPKKHV-UHFFFAOYSA-N 393.491 2.651 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242547625 KNSPEFDVYGFDKP-NUJGCVRESA-N 397.855 2.679 0 40 GFAB Cc1c(Cl)cccc1-n1ccn2c(=O)n(Cc3cccc(F)c3)nc2c1=O 252508037 XAWXIMGKDGLEPQ-UHFFFAOYSA-N 384.798 2.796 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1ccccc1 25768667 UEIIQGPFPFZJFS-UHFFFAOYSA-N 378.881 2.923 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CC[C@@]3(Nc3ccc(C(F)(F)F)cn3)C2)n(C)n1 1614423137 FEHVGVLRQDDSAW-SUMWQHHRSA-N 379.386 2.859 0 40 GFAB COc1ccc2c(c1NC(=O)N1CCC3(CCC3)S(=O)(=O)CC1)CCC2 669367524 YXSRNURBDLUIII-UHFFFAOYSA-N 378.494 2.759 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390830386 KSQYBXWDPRDGBD-UHFFFAOYSA-N 384.823 2.628 0 40 GFAB Brc1cnnc(N2CCC(NCCOc3ccccc3)CC2)c1 585098385 QMRWJOPALFEDDQ-UHFFFAOYSA-N 377.286 2.877 0 40 GFAB Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccncc4)[C@H]3C2)n(C)n1 585109537 AZJUFKNXLNAOOS-FDFHNCONSA-N 387.487 2.824 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4ccco4)nc3[C@H]2C)c1 585096327 IOBJEEPHYYYDQA-OAHLLOKOSA-N 378.432 2.932 0 40 GFAB CCc1cnc(OC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nc1 1776001722 IBWYRHNXBVXSHO-UHFFFAOYSA-N 393.373 2.543 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)N[C@H]4CCCC[C@H]4C)ccc3c(=O)n2CC1 72341194 BQJHXMXWGROEFC-APWZRJJASA-N 396.535 2.972 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)NNc1ccc(OC(F)(F)F)cc1 78535081 KEHNURAGMAEEEZ-UHFFFAOYSA-N 392.341 2.992 0 40 GFAB COc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)NC1=S 5657781 YVUPMTFPALVORH-QINSGFPZSA-N 381.457 2.593 0 40 GFAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCc3noc(-c4ccc(C)cc4)n3)N2C=C1 12195344 FIZXYOWVIKTFBF-NRFANRHFSA-N 391.431 2.524 0 40 GFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 14602394 IXUUGYLPPLAYAH-INIZCTEOSA-N 394.443 2.687 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1F 15579062 UPFSIRNUZBJUEZ-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB Cc1cc(S(=O)(=O)N2c3ccc(F)cc3CC[C@@H]2C)ccc1-n1cnnn1 15935982 YUTRMINDDBKVFZ-ZDUSSCGKSA-N 387.440 2.640 0 40 GFAB Cc1csc2c([C@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)nc(C)n12 19240451 YAIOBUOKIZYHGS-AWEZNQCLSA-N 384.509 2.888 0 40 GFAB COc1cccc(OCCCn2cncc2-c2cnc(N3CCOCC3)nc2)c1 19719325 QPKLFDISZGFERS-UHFFFAOYSA-N 395.463 2.654 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 19747914 QAFRWFVFPWFNRO-OAHLLOKOSA-N 375.856 2.766 0 40 GFAB C[C@H]1CC(=O)N=C(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)N1 6932485 QOLIGRPAGCTXNN-ZDUSSCGKSA-N 396.472 2.630 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cn1 29508883 HXSVCZIVVDKBRT-UHFFFAOYSA-N 388.468 2.556 0 40 GFAB NC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccccc2Br)n[nH]1 225553322 NDSLLVFYTGSOOR-CQSZACIVSA-N 377.242 2.639 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)C[C@@H]2C=CCC2)CC1 12187280 LRQJTGDMKGFRJV-QGZVFWFLSA-N 395.503 2.669 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC(C)(C)C)CC1(CCN(C)CC1)O2 12142637 UTRSAJCOWJPEMY-INIZCTEOSA-N 387.524 2.597 0 40 GFAB COc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O 19550184 ANRAJARHSNJFIM-QGZVFWFLSA-N 394.475 2.815 0 40 GFAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc4c(c1)OCO4)N(C)CC3)OCO2 19942979 HQGZMLYGHCXFEG-AWEZNQCLSA-N 383.400 2.955 0 40 GFAB biogenic C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(Cl)cc3c1OCOC3)CS2 5876746 QTTZGKAWLSDVJH-CXAGYDPISA-N 383.853 2.704 0 40 GFAB CCOC(=O)c1cc(CC)sc1NC(=O)CONC(=O)c1ccccc1 6941092 SPDVQAAILQXYGW-UHFFFAOYSA-N 376.434 2.787 0 40 GFAB CC(C)c1ncnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)c1F 1888903892 QTIRYRJKUHKLJH-UHFFFAOYSA-N 382.447 2.540 0 40 GFAB Cc1noc([C@@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@@H]2c2ccccc2)n1 238910168 SDHUMWXADQBVQG-HZPDHXFCSA-N 388.449 2.555 0 40 GFAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CC2(C[C@@H](N3CCOCC3)CS2)C1 2056225201 HIWJXLYWMRZDGK-ZCYBBYNQSA-N 391.581 2.557 0 40 GFAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCO)Cc1ccccc1 4374260 YMBNSNXEFAINOY-QGZVFWFLSA-N 387.867 2.649 0 40 GFAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1C 4370339 FZLWKJGDSUHQQF-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(F)cc3)ccc2c1=O 4791744 JGWYIBIVRAMNHC-UHFFFAOYSA-N 383.423 2.949 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1cccc(F)c1 11665745 KENNZRKTMGEHEW-UHFFFAOYSA-N 383.770 2.759 0 40 GFAB CSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2 5222465 XGOJATVWZGVXOU-UHFFFAOYSA-N 389.502 2.726 0 40 GFAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)s1)c1ccc(OC)c(OC)c1 30498800 ODOSHQBEZRPPSK-CYBMUJFWSA-N 399.490 2.656 0 40 GFAB Cc1cc(C)n2nc(C(=O)O[C@@H](Cn3cncn3)c3ccc(Cl)cc3)nc2n1 40155005 MYQCNTSYDGIUCA-HNNXBMFYSA-N 397.826 2.584 0 40 GFAB Cc1cc(C)n2nc(C(=O)O[C@H](Cn3cncn3)c3ccc(Cl)cc3)nc2n1 40155006 MYQCNTSYDGIUCA-OAHLLOKOSA-N 397.826 2.584 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 32338620 DCJLZXZEQGYVAD-KRWDZBQOSA-N 390.530 2.745 0 40 GFAB CN(C)C(=O)CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32717258 IAOBJTTXFZAWPY-UHFFFAOYSA-N 399.495 2.708 0 40 GFAB O=C1[C@H]2[C@H](C(=O)N1c1cnn(Cc3ccc(Cl)cc3Cl)c1)[C@H]1CC[C@H]2O1 102625841 QAGUXRWQZDNBFH-KLHDSHLOSA-N 392.242 2.905 0 40 GFAB CC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 33325500 OWPFTAIVYGBTQH-HOCLYGCPSA-N 375.494 2.746 0 40 GFAB COc1ccccc1CCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C 12165671 JNVZLKAPSYXGHH-UHFFFAOYSA-N 392.455 2.945 0 40 GFAB C[C@H]1CCc2c(sc3ncnc(N4CCN([C@H](C)C(=O)NC5CC5)CC4)c23)C1 22195928 PVTDDPDEVNSPMZ-UONOGXRCSA-N 399.564 2.605 0 40 GFAB O=C1COc2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2N1 22384666 IKAMQOTYGPBDJF-UHFFFAOYSA-N 385.445 2.570 0 40 GFAB CCc1c(C)nc(N)n2c(SCC(=O)N3CCCc4ccccc43)nnc12 1331376 SGQASDQAXZPMHI-UHFFFAOYSA-N 382.493 2.649 0 40 GFAB COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(C)=O 1378123 BZGOFNRGNHBUEH-UHFFFAOYSA-N 394.427 2.857 0 40 GFAB CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccc(N3CCCC3)c(F)c2)CCO1 78972341 XCSAKLAWRIKORQ-QGZVFWFLSA-N 378.444 2.609 0 40 GFAB CC(C)Cc1cc(-c2nnc3sc(-c4c(Cl)cnn4C)nn23)n(C)n1 79481090 VWPMYWNGGSRARV-UHFFFAOYSA-N 376.877 2.839 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(C)cc2)NC(=O)N3)cc1 12346248 PHTRPFLWGYBCMH-FQEVSTJZSA-N 377.444 2.697 0 40 GFAB CCOC(=O)c1ccoc1COC(=O)CCCc1nc2ccccc2c(=O)[nH]1 22982669 DPDIDNSAHTYGLA-UHFFFAOYSA-N 384.388 2.759 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1OC 6504492 NFZPPUPTPCLVFF-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1F 12488191 LPXZAARTMKFVSL-UHFFFAOYSA-N 376.453 2.776 0 40 GFAB Cc1[nH]nc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1Br 54705029 ILDREYWYIWDJRM-UHFFFAOYSA-N 377.286 2.829 0 40 GFAB Cc1ccc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c(C)c1 24061060 OOQCIKRPSRQCNR-IBGZPJMESA-N 385.895 2.941 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)NC2CCCCCC2)c1C 50509138 QUMWBCZPXFXYEN-UHFFFAOYSA-N 381.542 2.805 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccsc1 25811845 LTAIHJCPIARGHO-AWEZNQCLSA-N 386.926 2.838 0 40 GFAB O=C(CN1CCN(C(=O)NC2CCCCC2)CC1)Nc1ccccc1Cl 57159135 OVULTWYOGPANEP-UHFFFAOYSA-N 378.904 2.938 0 40 GFAB CCC(CC)[C@H](O)CN[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 108393313 YNNAZNGYQSVJDW-PWIZWCRZSA-N 378.513 2.799 0 40 GFAB O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCc3ccccc32)c1 3254730 HWFZLLOLJIFRBV-UHFFFAOYSA-N 382.235 2.899 0 40 GFAB CCc1ccccc1NC(=O)CNc1ccccc1C(=O)N1CCC[C@@H](O)C1 57994758 OLUIGARAZSRZCL-QGZVFWFLSA-N 381.476 2.897 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(C)C(=O)Cc2c[nH]c3ccccc23)c1 44753949 WJICLENMTRFXQQ-UHFFFAOYSA-N 378.432 2.766 0 40 GFAB CCCc1ccc([C@H](NCc2cc(=O)n(C)c(=O)n2C)c2cccs2)cc1 12743186 QWXYFRDEMGTPRZ-FQEVSTJZSA-N 383.517 2.977 0 40 GFAB Cc1cccc([C@H](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)NC(N)=O)c1 27843530 CUYPCCHBQYPBPI-XLIONFOSSA-N 380.492 2.737 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 20110458 AQWFBFJTXFXBEC-CYBMUJFWSA-N 382.432 2.917 0 40 GFAB CC(C)OCCCn1c(S[C@@H](C)C(N)=O)nc2cc(Cl)ccc2c1=O 3373430 WLKJJFWANKDIMO-NSHDSACASA-N 383.901 2.831 0 40 GFAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCN1CCc2ccccc2C1 45918407 LKSMHIOGDYOBBL-HNNXBMFYSA-N 385.895 2.633 0 40 GFAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1nnc2n1CCCCC2 29898339 MVQAQHCZNHJGEC-NSHDSACASA-N 376.844 2.920 0 40 GFAB Cc1ccc([C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c2cccs2)cc1 29940548 OATNJZDVZGTKNW-KRWDZBQOSA-N 389.502 2.562 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 12975744 BVWUYRANVRMNKU-UHFFFAOYSA-N 389.477 2.670 0 40 GFAB CCCCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O 5014094 XCGZVQWINQZSCQ-AWEZNQCLSA-N 376.482 2.508 0 40 GFAB COCc1nc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 65109005 RPGVUODZMWLYTQ-UHFFFAOYSA-N 393.896 2.931 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2O)cc1 5102022 INXUXMBPXJINAX-UHFFFAOYSA-N 376.796 2.543 0 40 GFAB COc1ccc(CCNC(=O)c2ccccc2NCC(=O)NC(C)(C)C)cc1 9157245 SQLVDPLMETVQDX-UHFFFAOYSA-N 383.492 2.994 0 40 GFAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)NC(C)C)cc1 14182879 WZZQTIGPNUZIES-UHFFFAOYSA-N 392.459 2.802 0 40 GFAB Cc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)c(C(N)=O)c(C)c1C 14254342 MMNJWUCCOHSCIX-QMTHXVAHSA-N 392.525 2.602 0 40 GFAB O=C(COc1ccc(Br)cc1)NC[C@@H]1COc2ccccc2O1 5631760 ZEGBUCUJCHQCAA-CQSZACIVSA-N 378.222 2.784 0 40 GFAB C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1 96007198 CLEUNMAFXPTLEO-MRXNPFEDSA-N 384.505 2.973 0 40 GFAB COCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 6950995 ZWJZSDXQWQJDHH-UHFFFAOYSA-N 382.489 2.713 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)c1C 67218349 XSGIQDCRWSHUJS-UHFFFAOYSA-N 399.516 2.993 0 40 GFAB COc1cc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)cc(OC)c1 5938174 WBBJRELBANXGJG-UHFFFAOYSA-N 383.356 2.606 0 40 GFAB COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@H](CO)CC(C)C)cn(C3CC3)c12 9420996 HTJASGBOGYGBHS-NSHDSACASA-N 394.418 2.760 0 40 GFAB CCc1c(C)sc(NC(=S)N2CCC3(CC2)OCCO3)c1C(=O)OC 8080713 BITSYAGZDYBNPB-UHFFFAOYSA-N 384.523 2.941 0 40 GFAB COc1ccc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1 8075346 YHPLCMFCJVLSQQ-WYMLVPIESA-N 388.489 2.600 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C)n2N)c2ccccc2)c1 8139880 MXAPYKIGDYPVPQ-KRWDZBQOSA-N 381.461 2.975 0 40 GFAB CC(C)(C)n1nnnc1SCC(=O)N1CCS[C@H]1c1ccccc1F 8252779 AXBHXTRZYHJFOH-AWEZNQCLSA-N 381.502 2.934 0 40 GFAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 9421424 PZUFOVMPZHSFQU-CRAIPNDOSA-N 378.457 2.972 0 40 GFAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 408626543 IALRESWZOBZGJF-UHFFFAOYSA-N 398.532 2.639 0 40 GFAB CC(C)(C)NC(=O)NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 8734561 FBFSAUOXGNKPRA-UHFFFAOYSA-N 384.461 2.749 0 40 GFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NC12CC3CC(CC(C3)C1)C2 8709092 SCLOYXQMOQDEJL-SLXZDPPNSA-N 393.487 2.680 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccnc1OC1CCCC1 97064089 QUUPWRALVUGENC-QZTJIDSGSA-N 399.491 2.585 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4cnn(C)c4)n3)CC2=O)cc1 72310317 NNKZGURIPIJFOY-HNNXBMFYSA-N 375.432 2.782 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)cn1 95993118 VHCHUUAXFIZXLU-LBPRGKRZSA-N 390.369 2.992 0 40 GFAB Cc1cc([C@](C)(O)CNC(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)c(C)o1 95993223 KPRCDHPLNKTIHF-SJKOYZFVSA-N 385.386 2.698 0 40 GFAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 20111056 SECZVGXWCVPADF-UHFFFAOYSA-N 381.451 2.911 0 40 GFAB COC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217613699 NGMNBJNCVPKLJQ-ZIAGYGMSSA-N 392.477 2.871 0 40 GFAB CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 408709748 HGGYIFOTIZRKGI-UHFFFAOYSA-N 397.475 2.870 0 40 GFAB COc1ccc(CNC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1 21360867 DRERJSGILAQRGI-UHFFFAOYSA-N 384.480 2.869 0 40 GFAB O=C1N/C(=C\c2ccc(I)o2)C(=O)N1Cc1ccccc1 409206699 VVTDICVCXRVLKA-WQLSENKSSA-N 394.168 2.977 0 40 GFAB Cc1cc(F)ccc1-n1cc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)nn1 503415500 PZUOVCOPGVOZDV-UHFFFAOYSA-N 393.466 2.544 0 40 GFAB CNC(=O)c1cc2cc(NS(=O)(=O)c3c(C)cc(OC)cc3C)ccc2[nH]1 526005411 UULLGJJJYQLUQH-UHFFFAOYSA-N 387.461 2.954 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1cccc(OC)c1OC 32999690 SKPDUFIOESTJAA-ZHACJKMWSA-N 388.489 2.943 0 40 GFAB CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)ccn1 35425556 WNNTUHLHOOEJHH-INIZCTEOSA-N 399.476 2.840 0 40 GFAB biogenic,in-vitro O=C(NC1CCCC1)c1cc([C@H]2CCCCN2C(=O)Cc2ccccn2)n[nH]1 72380616 RQSQWAKCZPAJIO-LJQANCHMSA-N 381.480 2.773 0 40 GFAB Cc1c(NC(=O)c2ccn3c(C)cnc3c2)cccc1C(=O)N1CCOCC1 564347852 HYPGXEXBDWNJHI-UHFFFAOYSA-N 378.432 2.676 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c(C)c1 44901536 IOOKCFQWSDBWFK-QGZVFWFLSA-N 389.521 2.794 0 40 GFAB O=C(NCCn1cnc2ccsc2c1=O)c1ccccc1OC(F)(F)F 225776622 NOQXIEOUKVRQFM-UHFFFAOYSA-N 383.351 2.787 0 40 GFAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C 225865117 KHCLLOVEQQUDLG-UHFFFAOYSA-N 388.489 2.540 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 224270269 CLCQNRNXKSNPGB-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(OC)c1 44845155 PVFAGTLAQXIZIB-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB Cc1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1 224229246 OHRFLFKWTRCABI-UHFFFAOYSA-N 395.385 2.962 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1 224377123 NQZFDCKFLUNFCR-UHFFFAOYSA-N 376.410 2.602 0 40 GFAB CCCCS(=O)(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96080389 RXRLSSOCGSWSME-FQEVSTJZSA-N 387.505 2.747 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](c1ccco1)N1CCSCC1 245053425 OTURHGSBSIFMOE-INIZCTEOSA-N 386.473 2.928 0 40 GFAB Cn1cc(C(=O)N2[C@H]3CCCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)cn1 257233132 GNYJYXUEZGEUNC-DXIQSLLYSA-N 380.492 2.695 0 40 GFAB Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257205168 AXXQLSNBIZSNFH-KCZVDYSFSA-N 395.507 2.935 0 40 GFAB NC(=O)c1ccc(N2CCN(C(=O)C3CC(c4ccc(F)cc4)C3)CC2)cc1 644662410 SVBHFXLOJJGNIS-UHFFFAOYSA-N 381.451 2.767 0 40 GFAB Cc1cccc([C@H](NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C(F)(F)F)c1 666371750 AAKSCOZKTGBNGB-UBHSHLNASA-N 378.416 2.863 0 40 GFAB O=C(NCCCn1ccc2cccnc21)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 96353413 CBVQISIKUFZBTM-MRXNPFEDSA-N 380.423 2.735 0 40 GFAB O=C(NCC[C@@H](O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 90561877 MCWKTSDOBFJWTM-OAHLLOKOSA-N 382.338 2.764 0 40 GFAB C[C@H](NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)c1nnc2n1CCCC2 660919631 ZWHCZXKSEQHSFN-GOEBONIOSA-N 391.479 2.848 0 40 GFAB CC(C)(C)n1nnc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)n1 585102496 QJHCWPLQEUFXMJ-UHFFFAOYSA-N 384.465 2.923 0 40 GFAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615160859 RCLQJWCEWYZJAA-UHFFFAOYSA-N 378.472 2.962 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615155933 JDTLKCOEKYSPNH-OAQYLSRUSA-N 399.422 2.729 0 40 GFAB CSc1nnc([C@H]2CCCN(CC(=O)Nc3ccc(C(C)=O)cc3)C2)n1C 5001427 DDHZHVZNLARLGE-HNNXBMFYSA-N 387.509 2.558 0 40 GFAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccccc4Cl)sc3nc2=O)cc1 5006685 MCRBCIIHHNFAPL-GZTJUZNOSA-N 395.871 2.612 0 40 GFAB O=C(CSc1nnnn1Cc1ccco1)N1CCC[C@@H]1c1cccs1 11742501 ZNXBGVRQZLOMND-CYBMUJFWSA-N 375.479 2.832 0 40 GFAB COc1ccc(C2(NC(=O)C3CCN(S(C)(=O)=O)CC3)CCCCC2)cc1 12143155 IXJSSAVYENLBOJ-UHFFFAOYSA-N 394.537 2.642 0 40 GFAB CCCc1nn(CC(=O)NCCc2ccco2)c(=O)c2cc3ccsc3n12 12181715 XUICHWFIOYLJPL-UHFFFAOYSA-N 384.461 2.615 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 17081643 FIMHXQAMZPEVJX-IAQYHMDHSA-N 399.274 2.900 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)n[nH]1)C2 19451887 DMLHCERSJUEKDJ-LJQANCHMSA-N 396.495 2.595 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1CN(C)C 19583402 CCMXXNQSHNQRIP-GOSISDBHSA-N 396.535 2.639 0 40 GFAB CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930306 DZBHJIXWRYLZBH-LBPRGKRZSA-N 376.906 2.664 0 40 GFAB CCCn1ncc(C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)c1C 100119288 FOAYJWXQVRLWRE-HOTGVXAUSA-N 391.475 2.541 0 40 GFAB CN(Cc1ncccc1Cl)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 528467519 MFUJOLCEKCDSIG-KBPBESRZSA-N 378.883 2.640 0 40 GFAB COc1coc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c1OC 12188778 WYIWUSHPBDMUAW-ZDUSSCGKSA-N 384.392 2.762 0 40 GFAB CC(C)NC(=O)c1cnn2c1C[C@@H](CNc1nc(C(C)(C)C)ns1)CC2 682398166 QCCIFORUSAZSLB-LBPRGKRZSA-N 376.530 2.845 0 40 GFAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 859487 BYBCPNVSZLMVNY-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB O=c1c(N2CCN(c3ccc(Br)cc3)CC2)nccn1C1CC1 1888853328 DLQIPKVFBLNGBA-UHFFFAOYSA-N 375.270 2.667 0 40 GFAB Cn1nc2c(c1CN1C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C1)CCCC2 1888873363 PHGCKPUAIPWHKF-IAGOWNOFSA-N 394.567 2.955 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23805378 BERNLNMJWVBYOJ-UHFFFAOYSA-N 377.413 2.673 0 40 GFAB O=S(=O)(c1ccccc1Br)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 238811506 AKOPSFSJPOTRFT-RYUDHWBXSA-N 397.298 2.597 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238903593 RRPZSTQBXOGTQI-IRXDYDNUSA-N 387.436 2.922 0 40 GFAB CCN1CCN(c2ccc(NC(=O)c3cn(C)c4ccccc4c3=O)cc2)CC1 2037850112 YJQDRQJBITZDAI-UHFFFAOYSA-N 390.487 2.933 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cn1 1147163561 YUTAZIYFLMJBCP-VQPPSCEASA-N 394.475 2.824 0 40 GFAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1 2724938 QVQSEJBHNCVPJO-NDEPHWFRSA-N 399.447 2.964 0 40 GFAB CCc1nccn1CC1CN(c2nc3c(S(C)(=O)=O)cccc3s2)C1 2086889544 PVSQPPQQRMESDP-UHFFFAOYSA-N 376.507 2.595 0 40 GFAB Cn1ccc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C2)n1 575615250 BOYHDOIYVLOOKT-HUUCEWRRSA-N 386.883 2.833 0 40 GFAB CCCn1c(O)c(C(=O)NNC(=O)c2cccc(Cl)c2)c(=O)c2ccccc21 5564154 UCDJWABUCZKEMZ-UHFFFAOYSA-N 399.834 2.845 0 40 GFAB C[C@H](C(=O)c1ccc2c(c1)NC(=O)CO2)n1nnc(-c2ccc(Cl)cc2)n1 31652515 OCOCWZAYDQTMNJ-SNVBAGLBSA-N 383.795 2.768 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)cc1 51315753 RXLZYFHTBQIAHZ-UHFFFAOYSA-N 386.452 2.778 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 32059627 PLOXSAUJIKNVPQ-ZDUSSCGKSA-N 383.473 2.988 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]32)cc1 102001658 SPEMQPCIQJLGQZ-MJGOQNOKSA-N 391.431 2.544 0 40 GFAB O=C(NCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cccs1 32716490 ZPOCGILMSJWBCK-XBXARRHUSA-N 383.517 2.726 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1c(F)c(F)c(F)c(F)c1F 102440405 UIDIQRWBFQGWPY-HTQZYQBOSA-N 390.308 2.886 0 40 GFAB Cc1ccc(O)c(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 32859799 MCRZSHAMZBMSCA-AWEZNQCLSA-N 381.432 2.537 0 40 GFAB COc1ccc(Br)c(C(=O)NCc2cccnc2-n2cccn2)c1 32914525 ZBVJGQMVRBSFHZ-UHFFFAOYSA-N 387.237 2.968 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 800533 YNVILTTZTLYDJL-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)o2)cc1 899717 UFHMRWCRUFDUSP-UHFFFAOYSA-N 375.406 2.659 0 40 GFAB CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)OC 916001 CPZJKMVXRXZPLZ-UHFFFAOYSA-N 386.271 2.905 0 40 GFAB Cc1nn2c(NC(=O)CSc3nc4ccccc4s3)csc2nc1=O 12389204 GCHHBZNSWYYPMO-UHFFFAOYSA-N 389.487 2.800 0 40 GFAB O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)NCc1ccccn1 12324903 ZRORJINQRWSISK-UHFFFAOYSA-N 397.866 2.600 0 40 GFAB O=C(Cc1ccccc1)NC(NC[C@@H]1CCCO1)(C(F)(F)F)C(F)(F)F 12376206 FCXXKBDMBSDFCK-LBPRGKRZSA-N 384.320 2.935 0 40 GFAB Cc1c(Cl)cccc1-n1c2c(c(=O)[nH]c1=O)CN(Cc1ccccc1)CN2 12372489 ZZDKBXUBHCNQIK-UHFFFAOYSA-N 382.851 2.873 0 40 GFAB CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CCO1 78972818 JOESHOYUCHYSSE-IBGZPJMESA-N 385.460 2.824 0 40 GFAB COc1cc(/C=C/C(=O)NCC2(CCO)CCOCC2)cc(Cl)c1OC 79112056 OCDNHIONGHCPJL-ONEGZZNKSA-N 383.872 2.666 0 40 GFAB C[C@H]1CN(CCCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 79108134 URVGPQAFBUQEJI-KBPBESRZSA-N 394.459 2.873 0 40 GFAB NC(=O)COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 23201398 LGNZZJLMYUPEIL-UHFFFAOYSA-N 379.372 2.648 0 40 GFAB CSCC[C@@H](C(=O)NCc1ccccc1F)N1C(=O)[C@H]2CCCC[C@H]2C1=O 8937062 MDPUBPNLSOIRQR-UXLLHSPISA-N 392.496 2.739 0 40 GFAB O=C(c1ccccc1OCCOc1ccccc1)N1CCN(C(=O)C2CC2)CC1 25165971 ULMDPPUYJVPVJZ-UHFFFAOYSA-N 394.471 2.839 0 40 GFAB CCn1c(SCC(=O)N2CCC(C(=O)OC)CC2)nnc1-c1cccs1 3288549 QGTUQNLAHVCMAY-UHFFFAOYSA-N 394.522 2.530 0 40 GFAB COC(=O)CN1[C@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 100143876 PWRQUZAYRRUXMC-KSSFIOAISA-N 378.432 2.640 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O 57477572 PPQSROODTAQRDG-UHFFFAOYSA-N 381.432 2.529 0 40 GFAB O=C1O[C@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)Cc2ccccc21 27009911 JFQLURACSVFGRB-FQEVSTJZSA-N 392.455 2.711 0 40 GFAB C[C@H](C(=O)N1CCCC1)S(=O)(=O)c1nc2c(n1-c1ccccc1)CCCC2 48230310 FXEDMWAPGHDMDA-OAHLLOKOSA-N 387.505 2.536 0 40 GFAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(-n2ccnc2)nn1 58244945 GKJXEUHRNVSJNA-UHFFFAOYSA-N 377.326 2.533 0 40 GFAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 2136444 FYGCBVJPVMUFJA-UHFFFAOYSA-N 397.566 2.966 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 100395312 FMKSDXUBMCDTLT-UKRFAEJPSA-N 390.361 2.593 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)NCCCc1nc(-c2ccccc2)no1 36134198 SMQLVWVOWKHJGN-UHFFFAOYSA-N 375.425 2.928 0 40 GFAB CCN(CC)Cc1cccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 60364919 FLCYUDIHGJPCND-HNNXBMFYSA-N 386.496 2.720 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccco2)CC1 22938334 XIBXRJMVLLWQOQ-INIZCTEOSA-N 392.297 2.761 0 40 GFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1c(F)cccc1F 37170357 PUEOSXSMCFQUCD-LLVKDONJSA-N 389.445 2.750 0 40 GFAB C[C@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1cc2ccccc2o1 12925621 GDJGDRBXXPZKJE-ZDUSSCGKSA-N 377.400 2.976 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cnc12 12986080 GIFNQOTVOALCIR-SFHVURJKSA-N 393.443 2.901 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 6114511 LNPVQFFJJNUSDZ-UHFFFAOYSA-N 395.415 2.753 0 40 GFAB COC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 4526224 KZXNTVOZFQLOSZ-POHAHGRESA-N 394.177 2.715 0 40 GFAB Cc1ccc(CNC(=O)[C@H](C)NC(=O)N2CCn3c2nc2ccccc23)cc1 5489126 DCKPZCFDLBXRCY-HNNXBMFYSA-N 377.448 2.579 0 40 GFAB C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1 96007197 CLEUNMAFXPTLEO-INIZCTEOSA-N 384.505 2.973 0 40 GFAB O=C(COc1ccccc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 4939875 FSYVIMJXHKRIKE-UHFFFAOYSA-N 390.443 2.998 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)cc1OC 67240122 OQYOJCCQCPJVST-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB CCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nnc1N1CCOCC1 7788871 CGEAJGVSJJSYEP-ZDUSSCGKSA-N 385.493 2.979 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)/C=C/c3cn(Cc4ccccc4)nn3)cc2NC1=O 8017020 BHIMKUBRPNQRCS-PLWJUESGSA-N 389.415 2.698 0 40 GFAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(Cl)cc1 8036631 DAAWHYHXTFKZSI-CYBMUJFWSA-N 394.903 2.757 0 40 GFAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(COc2ccccc2)o1 8132165 QMAXQTJQHZYYGX-UHFFFAOYSA-N 383.404 2.758 0 40 GFAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408591769 KJIUBRJJTRHCPD-DAVUEJTQSA-N 382.800 2.503 0 40 GFAB CCn1nc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2c1=O 8325012 JXEIWDGFVFUQSQ-UHFFFAOYSA-N 376.416 2.561 0 40 GFAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 18175395 YNAXBSXWYLLYMO-NSHDSACASA-N 375.450 2.613 0 40 GFAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408596788 SFPDCCFHBYFOTE-NWDGAFQWSA-N 376.906 2.710 0 40 GFAB CCNC(=O)N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1 97042711 DJBATDRPXVXKJI-UHFFFAOYSA-N 376.844 2.791 0 40 GFAB C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@@H](C)N1CCOCC1 97212386 BRGDBBLYYXUXSW-NWDGAFQWSA-N 398.385 2.594 0 40 GFAB Cc1nc(CNC(=O)c2c[nH]c3c(cnn3C)c2=O)oc1-c1ccc(Cl)cc1 95456925 LKWZLSKSSNYCOR-UHFFFAOYSA-N 397.822 2.808 0 40 GFAB COC(=O)Cn1cc([C@@H](C)OC(=O)c2nc(C)sc2-c2ccccc2)nn1 95468034 SWYRDGSYGZAPBD-LLVKDONJSA-N 386.433 2.801 0 40 GFAB O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1Br)N1CCCC1 95405104 LNPAUDJILQCHQR-AWEZNQCLSA-N 395.297 2.693 0 40 GFAB CSc1ncc(C(=O)N2CCO[C@]3(CCCC[C@@H]3N3CCCC3)C2)c(C)n1 306138434 RXMSSJYEBIQPNZ-FXAWDEMLSA-N 390.553 2.757 0 40 GFAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1 22537732 HTEXCAFTASXDTK-AWEZNQCLSA-N 378.469 2.886 0 40 GFAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 33411933 KZIPAMSBFZVIFX-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB Cn1cnnc1SCCNC(=O)c1csc(-c2cc3ccccc3n2C)n1 36708174 HJGIZSVEFXXEDU-UHFFFAOYSA-N 398.517 2.952 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@H](c2ccnc(Nc3ncccn3)n2)C1 72377704 YFZGKTMPUOYFKI-INIZCTEOSA-N 390.447 2.795 0 40 GFAB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccco1 8391166 QZEYWKQBDBWURQ-JIIJFUIFSA-N 394.518 2.608 0 40 GFAB CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1ccc(F)cc1 72242231 DQBXAFUCDVOAHI-UTKZUKDTSA-N 399.441 2.833 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 32873850 HQCRVYPKNNFYQB-UHFFFAOYSA-N 386.452 2.749 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218468811 CNYKRINOIQDUIT-XYJFISCASA-N 380.849 2.997 0 40 GFAB CCN1CCN(Cc2ccc(CNC(=O)COc3cccc(C)c3)cc2)CC1 40115673 QSZMUYYFPWTNIX-UHFFFAOYSA-N 381.520 2.828 0 40 GFAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(N2CCCC2)cc1 72342289 QJPYZZCOFXIJET-UHFFFAOYSA-N 380.492 2.604 0 40 GFAB COc1cc(NC(=O)CCc2nc3ccccc3n(C)c2=O)cc(OC)c1OC 72404382 JGGMCVRVRPBHIM-UHFFFAOYSA-N 397.431 2.531 0 40 GFAB CCCSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1 223232706 JNTCBFXVVJIJTC-UHFFFAOYSA-N 398.535 2.968 0 40 GFAB CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225567912 GRNOUJFFUDECHR-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB Cc1ccc(C(=O)NCCCN(C)C)cc1N(C)S(=O)(=O)c1ccccc1 224296725 ZKNNNTWQVWVCDY-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 223457068 ODPAPGBPTDEJNY-HXUWFJFHSA-N 384.476 2.936 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C 223416971 BSAYJQGCXOOVHC-IBGZPJMESA-N 384.476 2.936 0 40 GFAB COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 223459763 WAOSDJGDZQLOAU-UHFFFAOYSA-N 380.491 2.676 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 224105805 MMQUGPJCCYABMI-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2c2ccsc2)cc1 46089368 YUDQKIUVUNMFEI-SFHVURJKSA-N 387.505 2.802 0 40 GFAB CCOc1cc(CNS(=O)(=O)c2cc(OC)ccc2OC)ccc1OC 223710127 AVOOJVNGDCBKPZ-UHFFFAOYSA-N 381.450 2.590 0 40 GFAB O=C(C[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)N1CCOCC1 96052822 LZNKUNZHSUMJGG-SFHVURJKSA-N 392.503 2.751 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238114 XQVDILATYFLFGL-GOSISDBHSA-N 375.519 2.681 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc21 249702109 YXWBTORVCOWFHJ-SRVKXCTJSA-N 384.885 2.982 0 40 GFAB COC(=O)CCc1ccc(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@]2(C)O)cc1 257312124 UMPHXTXFWAARBS-UWJYYQICSA-N 393.480 2.931 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)CC1 257211936 CBEBMLGAMZDZSU-IIDMSEBBSA-N 398.511 2.801 0 40 GFAB O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)Nc1cccc(F)c1 90617533 ILTVBYHDSVHWAO-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB O=S(=O)(c1ccc(F)cc1F)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340588 ZKUOXKFCBRIMIR-UHFFFAOYSA-N 397.325 2.935 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2CN)C1 953075628 GUIGOAQUCMVWJX-UWJYYQICSA-N 389.496 2.841 0 40 GFAB NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CCCc2ccccc21 89858240 MOVTVCBKJCBWRD-GOSISDBHSA-N 379.460 2.681 0 40 GFAB COc1ccc(OC)c([C@H](O)CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 19551144 ZHQHRAXXBPQXFL-YLJYHZDGSA-N 390.524 2.852 0 40 GFAB O=C(Cc1cccs1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156984 LLYVJOMCJHLFDI-FQEVSTJZSA-N 388.464 2.854 0 40 GFAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1cc(OC)ccc1OC 12185295 WFONZVLCQUZTTE-KRWDZBQOSA-N 395.459 2.551 0 40 GFAB Cc1ccc(CSCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 13688742 DWSHKVGGUZOQFD-HDICACEKSA-N 386.517 2.686 0 40 GFAB O=C1NC2(CCN(C(=O)[C@@H]3CCN3C3CCCCC3)CC2)Nc2ccccc21 19374639 DRKVSIFQKLHCON-IBGZPJMESA-N 382.508 2.568 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)NCC4CC4)cn3)C2)cn1 19705915 FKLBATSJXRCZNB-GOSISDBHSA-N 394.475 2.645 0 40 GFAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)NCCc2ccncc2)CC1 101410458 GGNVFDSTTKEOPY-KDURUIRLSA-N 390.487 2.957 0 40 GFAB CN(C)C1CCC2(CC1)CN(C(=O)c1cccnc1N)Cc1ccccc1O2 19584026 RXZKUGUNDKXKJB-UHFFFAOYSA-N 380.492 2.942 0 40 GFAB O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 902140 DCFANXBOWHBWJM-UHFFFAOYSA-N 379.526 2.676 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1OC 4374608 OGPZYSWISRURHO-GDBMZVCRSA-N 395.459 2.970 0 40 GFAB OCCNc1nc2nc(Cl)nc(N3CCCCC3)c2n1Cc1ccccc1 4618775 SKKKEJABKJEMKG-UHFFFAOYSA-N 386.887 2.923 0 40 GFAB COc1ccc(S(=O)(=O)CC(=O)Nc2cccc(Br)c2)cc1 10025186 GFBDLWZRCIDWHP-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(CCN2CCOCC2)c1C 12372563 NUGKXFZJYUVPLL-UHFFFAOYSA-N 397.928 2.506 0 40 GFAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccsc2)C1 2055751103 IJBYEUXBAVQEEJ-FQEVSTJZSA-N 387.505 2.598 0 40 GFAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@@H](N2[C@@H](C)CC[C@H]2C)C1 40150229 PVISSQJNJCAWGS-ZIFCJYIRSA-N 396.535 2.959 0 40 GFAB CCOC(=O)N1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 20100368 CRXMSNXYSLARLN-UHFFFAOYSA-N 393.915 2.853 0 40 GFAB O=C([C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1)N1CCCCC1 21733418 FVDYEAURRTYAAZ-SJORKVTESA-N 387.509 2.698 0 40 GFAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3)o2)c1 32908305 OLSOJUVUUAMWRT-KRWDZBQOSA-N 397.456 2.629 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1 32907631 PAOSZUIRHFTPPA-UHFFFAOYSA-N 392.546 2.862 0 40 GFAB C[C@]1(C(=O)NCc2ccccc2Cn2cccn2)Cc2ccccc2C(=O)O1 32901872 CYHYMLOFUBPAEV-JOCHJYFZSA-N 375.428 2.719 0 40 GFAB CCN(CC)C(=O)N1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1 32913270 XRIUEYGRGLFWQK-UHFFFAOYSA-N 391.512 2.536 0 40 GFAB Cc1ccccc1OCc1nnc(SCC(=O)N(C)C)n1Cc1ccco1 904805 IYOFYFVTXXQLTM-UHFFFAOYSA-N 386.477 2.987 0 40 GFAB Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)c1ccc(F)cc1 919794 CWESDHNXHXRQOX-UHFFFAOYSA-N 382.424 2.722 0 40 GFAB COc1cc(OC)cc(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 932288 UWFCIFIOEDDEKQ-BETUJISGSA-N 391.497 2.561 0 40 GFAB CCN(CC)C(=O)NCc1ccccc1N1CCN(C(=O)N(CC)CC)CC1 79017649 MDPPKHWIUDFGLL-UHFFFAOYSA-N 389.544 2.822 0 40 GFAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NCc1ccncc1 79075549 GHPKRQFRGGACJI-DZGCQCFKSA-N 378.473 2.641 0 40 GFAB COCCn1ccc2c(C(=O)Nc3cccc(-c4nnn(C)n4)c3)cccc21 79487216 KMPCRGFWJBVBOQ-UHFFFAOYSA-N 376.420 2.731 0 40 GFAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1 4890357 HKSSRZUWHIEPKD-INIZCTEOSA-N 388.493 2.807 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21 57493323 NYJIFHLCNNLLTA-LBPRGKRZSA-N 389.452 2.576 0 40 GFAB CN(Cc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)n1CC(N)=O 58131156 IBFBUUZJMDIWGT-UHFFFAOYSA-N 392.503 2.811 0 40 GFAB Cc1cc2oc(=O)cc(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2cc1O 100654757 ROVPUTKHWZSOSC-HOCLYGCPSA-N 378.428 2.588 0 40 GFAB Cc1nn(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cn2)c(C)c1Cl 72405649 AYRBUVUHZLGOKJ-CYBMUJFWSA-N 375.860 2.733 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@@H]2[C@H]3O[C@@H]3[C@H]1C2(c1ccccc1)c1ccccc1 104100711 OOORWVVNBZMNAB-IYWMVGAKSA-N 376.408 2.642 0 40 GFAB Cc1cccc(OCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 36447645 ABFSHLTVDMNBJM-UHFFFAOYSA-N 395.503 2.774 0 40 GFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 100790089 HMCCVEHKZOPNBK-RXSFTSLZSA-N 393.443 2.583 0 40 GFAB O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1 28914326 ZBTXZOAKKBERJQ-GFCCVEGCSA-N 384.251 2.567 0 40 GFAB COc1ccc(OCCN(C)C(=O)Nc2cccc(-n3nnnc3C)c2)cc1 45689273 IQOOHKHJKRLOOV-UHFFFAOYSA-N 382.424 2.522 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)NC1CCC(C(F)(F)F)CC1 29734767 XPJHFXZIPXMKKW-UHFFFAOYSA-N 386.418 2.839 0 40 GFAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 2626985 KYZXZPIELPHJJL-OAHLLOKOSA-N 399.447 2.501 0 40 GFAB COc1ccc([C@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)cc1 2635341 OETXAPMIPBUPOF-RBUKOAKNSA-N 390.443 2.620 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 3422766 XIFKEGJFHXYAGM-XBXARRHUSA-N 385.372 2.628 0 40 GFAB CC(C)[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc2c(c1)OCCO2 19351829 ZVXTULVBTVUMDC-SFHVURJKSA-N 399.472 2.743 0 40 GFAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)Nc1ccc2c(c1)OCO2 13551248 JHYJPBVFNBGVBI-UHFFFAOYSA-N 377.813 2.856 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccncc2)N1Cc1ccccc1 13654110 YBIPUPJGXZPJHT-FPOVZHCZSA-N 380.469 2.931 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2)n(C)c1=O 5197711 GNKCKPCTDFRRGO-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB COc1cccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)c1 4317733 AGKCEIOVQMSNMN-KRWDZBQOSA-N 390.461 2.823 0 40 GFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 6252682 ABMJAILINOOBRY-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc1C 5212635 MDGNDVGWYCRFMX-UHFFFAOYSA-N 394.349 2.632 0 40 GFAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1(C)C 14182373 NGSRWZGSWBIEJS-MSOLQXFVSA-N 394.512 2.897 0 40 GFAB COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 4555346 OHGCYWWTNZAJFQ-QHCPKHFHSA-N 393.439 2.546 0 40 GFAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 4514089 GLIUVQSERMTIBE-FQEVSTJZSA-N 375.444 2.631 0 40 GFAB Cc1nc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)c2c3c(sc2n1)CCC3 14233605 IGNZQHOXHKPTPO-CQSZACIVSA-N 386.521 2.564 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439064 CVWARSOYFAEDIO-UHFFFAOYSA-N 388.445 2.656 0 40 GFAB COc1cccc(CNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 5401892 YJOQWZBRYOZQDU-UHFFFAOYSA-N 377.444 2.852 0 40 GFAB COc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1 6743272 MQCGJJQQWATMGD-NRFANRHFSA-N 393.443 2.945 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1nc2ccccc2s1 6779566 OGAQORAESAZXAA-NSHDSACASA-N 394.449 2.846 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCc3ccccc3C2)c1C 15866633 VBCBTLRTMQZCSD-UHFFFAOYSA-N 395.484 2.801 0 40 GFAB CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 20110727 ILXSHYDGPHOKNJ-SFHVURJKSA-N 390.505 2.946 0 40 GFAB CCCNc1nnc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)s1 7793421 RJARQEAFTITDKL-UHFFFAOYSA-N 393.538 2.824 0 40 GFAB C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCO2 7735583 AMHAQRREBLRTRW-CYBMUJFWSA-N 388.493 2.745 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 8287601 GJLXELNFGRWADV-UHFFFAOYSA-N 394.460 2.520 0 40 GFAB CNc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 8325406 MWVQAQMNQFFWII-LBPRGKRZSA-N 392.506 2.807 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)C[C@]3(C(=O)O)CCSC3)cc2F)C[C@@H](C)O1 71846849 IODVYTRKSYWVOX-VLXJIEOASA-N 396.484 2.976 0 40 GFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCc1cccs1)C2=O 23483469 XVAZGUJOSUSNCO-ORAYPTAESA-N 377.510 2.544 0 40 GFAB O=C(COC(=O)Cc1n[nH]c2ccccc12)N[C@H]1CCCC[C@H]1C(F)(F)F 95389968 JPWNSSDUCPVZGT-OCCSQVGLSA-N 383.370 2.886 0 40 GFAB O=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 72059957 XYKPFIQBXBGFNG-GJZGRUSLSA-N 397.269 2.628 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@@H](O)c2ccco2)c(Cl)c1 95462044 YKJRZNPSVYBDDK-ZWNOBZJWSA-N 387.841 2.510 0 40 GFAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1c1nnc2n1CCCCC2 95957643 VLDDNCQCUGLHMZ-KRWDZBQOSA-N 377.448 2.823 0 40 GFAB O=C(NCCc1cccs1)[C@H]1CCCN(Cc2nc(-c3ccncc3)no2)C1 62022931 LVRFRLNWNXPUTL-INIZCTEOSA-N 397.504 2.764 0 40 GFAB Cc1cccc(CN2CCN(C(=O)COC(=O)c3ccc(F)c(F)c3)CC2)c1 25016384 GATNUNHDKOORLU-UHFFFAOYSA-N 388.414 2.774 0 40 GFAB Cc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)n(-c2ccccc2)n1 68739740 IIFQJSJUVGDYTB-UHFFFAOYSA-N 375.476 2.941 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 409411893 NBQRORPZIUALAJ-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB COCCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3F)nc21 36617305 ZWTSDUGEZRGQEB-UHFFFAOYSA-N 389.408 2.995 0 40 GFAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc12 945245 AQQSKAPNJWFLNT-RDTXWAMCSA-N 395.411 2.681 0 40 GFAB biogenic O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1nccn2ccnc12 510112887 NQTYXAQNUGRTGL-GXFFZTMASA-N 375.201 2.917 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1 31697143 GXLHHVJDSNLJTC-NSHDSACASA-N 382.404 2.621 0 40 GFAB O=C(O)c1ccc(NC2CCCCC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 217498127 NTLWYBSZHDYMTN-OAHLLOKOSA-N 382.482 2.587 0 40 GFAB Cc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)nnn1-c1nccs1 49032379 DYFCFDBLQBCMGQ-UHFFFAOYSA-N 388.884 2.648 0 40 GFAB COc1ccc([C@@H](CC(=O)N[C@@H](C)c2ccccc2)NS(C)(=O)=O)cc1 225954848 BOOAEASSILKGKE-KBXCAEBGSA-N 376.478 2.553 0 40 GFAB C[C@@H]1CC(=O)c2c(OCCOc3ccc(S(N)(=O)=O)cc3)ccc(F)c21 40068625 LAVWNHMPZIFMRO-LLVKDONJSA-N 379.409 2.621 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 44901945 ZJVWOZHREFGBTA-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB CC(C)CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225891163 DRNVTOCIVPGWTI-UHFFFAOYSA-N 389.554 2.960 0 40 GFAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cnc2[nH]c(O)nc2c1 585084478 UQNOERZUDMCCGQ-UHFFFAOYSA-N 397.435 2.540 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCc3c(-c4cccnc4)nn(C)c3C2)cc1 96083769 ZJTPDCOKWYVBGU-UHFFFAOYSA-N 398.488 2.628 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CC[C@]2(CCCN(CC3CCOCC3)C2)C1 96215458 HTVXCKSYSNUKKZ-FQEVSTJZSA-N 396.528 2.729 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(N)=S)[C@H]2c2ccc3c(c2)OCO3)cc1 242463547 DFDZFDGIGHWDND-IKGGRYGDSA-N 375.471 2.566 0 40 GFAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257314385 UWSKOBHVWQWYJZ-INIZCTEOSA-N 385.449 2.669 0 40 GFAB CC(C)Cc1ncc(-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)s1 257284314 PCEVTZOCNDQKJL-UHFFFAOYSA-N 380.539 2.938 0 40 GFAB CCO[C@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 623682681 YSOMOTSDGOCUGA-LBPRGKRZSA-N 376.766 2.833 0 40 GFAB O=C(COc1ccc(F)cc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390829087 CQXMADQRVBXGDN-GOSISDBHSA-N 395.427 2.732 0 40 GFAB C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cc2n(n1)CCCC2 585090064 HWWBAZIIMDYJGV-MRXNPFEDSA-N 388.537 2.952 0 40 GFAB C[C@@H]1CCCN(C[C@H]2CC3(CCN(S(=O)(=O)c4ccccc4)CC3)CO2)C1 585103107 DAUUMTSXCGXEHK-RTBURBONSA-N 392.565 2.978 0 40 GFAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-n2cncn2)cc1 66089211 BOLBIAWXOUUGKD-UHFFFAOYSA-N 380.795 2.901 0 40 GFAB COc1cc(OC)cc(C(=O)Sc2nc(C)cc(N3CCOCC3)n2)c1 5725052 GWZAJEAQVPIASH-UHFFFAOYSA-N 375.450 2.571 0 40 GFAB Cc1nn(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(=O)c2cc3sccc3n12 12115280 NQBQAPALSSGDQW-LSDHHAIUSA-N 378.457 2.691 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O 13711199 WGKDRDUFDBIWNH-QGZVFWFLSA-N 376.478 2.556 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 14155292 ULNRZZTVDDPQNK-INIZCTEOSA-N 390.505 2.783 0 40 GFAB COCCCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O 19082266 CTJKLVRZZWPYOZ-UHFFFAOYSA-N 384.480 2.652 0 40 GFAB Cc1nc(C)n(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)n1 19285746 NUXJNSLPRWBUEW-KCZVDYSFSA-N 381.524 2.764 0 40 GFAB COc1ccc(CN2CCc3nc(N4CCCCCC4)[nH]c(=O)c3C2)cc1OC 19561131 HPYOQSKQWPSTET-UHFFFAOYSA-N 398.507 2.726 0 40 GFAB Cc1nc2sc(C(=O)NCc3nc(Cc4ccccc4)no3)c(C)c2c(=O)[nH]1 19665337 SOYNPFTZRUQCPE-UHFFFAOYSA-N 395.444 2.505 0 40 GFAB CN(Cc1nc([C@@H]2CCCNC2)cc(N(C)C)n1)C(=O)CCc1ccccc1 19710009 AQYPXIIIIZRVPU-GOSISDBHSA-N 381.524 2.601 0 40 GFAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2ccco2)c1 19932506 URTIPXLVBLNERP-UHFFFAOYSA-N 388.898 2.968 0 40 GFAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 6100038 BQJXBYONTMNTDU-XJKCOSOUSA-N 380.872 2.696 0 40 GFAB O=C(CN(C(=O)c1csnn1)c1cccc(F)c1)NCCc1ccccc1 35289219 VMDONMALKCLREZ-UHFFFAOYSA-N 384.436 2.683 0 40 GFAB COc1ccccc1-c1noc([C@H](C)NC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)n1 626753807 ADWFPIRXCNGIIW-AVGNSLFASA-N 388.424 2.558 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)CCc3c(C)noc3C)cc2n1 12276508 OENVEBTUDUQYJY-QGZVFWFLSA-N 383.452 2.898 0 40 GFAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2cccc(O)c2)CC1 13265925 HXBDVJROMRVLRP-UHFFFAOYSA-N 397.500 2.705 0 40 GFAB COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@@H]43 247920391 GWYVXPNMQFBXRS-CZIXKKEKSA-N 380.488 2.871 0 40 GFAB biogenic,in-vitro C[C@H](NC(=O)C(=O)NC[C@@](O)(c1ccco1)c1cccs1)c1ccccc1 238824786 DMCVOUVIKAKLBG-VBKZILBWSA-N 384.457 2.571 0 40 GFAB Cc1nc(CC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cs1 2037909208 DEZXSZWGPPYMEY-IBGZPJMESA-N 378.469 2.956 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C3CCSCC3)CC2)cc1C 252533204 GFZKGNISCFVLBG-UHFFFAOYSA-N 389.565 2.966 0 40 GFAB Nc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)n1-c1ccccc1 4271821 CLYGBOCEGFOABC-UHFFFAOYSA-N 392.484 2.886 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1 4479616 YVNJITBQIMOGCW-CQSZACIVSA-N 385.420 2.639 0 40 GFAB CC[C@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(C)nn12 5005765 JHAGJVJKLLGKLX-JTQLQIEISA-N 389.481 2.610 0 40 GFAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1OC 9660515 USOGVKKFNINTCO-UHFFFAOYSA-N 394.431 2.716 0 40 GFAB CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc(-c2cccc(OC)c2)cs1 12442130 KXZBJZFLHXCPFE-UHFFFAOYSA-N 386.433 2.814 0 40 GFAB Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2ccccc21 13286768 GFRVEKDXHNONIQ-HTXNQAPBSA-N 378.450 2.670 0 40 GFAB CSc1cccc2sc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc12 13705049 ONYHLQDKDVQQSQ-UHFFFAOYSA-N 385.536 2.628 0 40 GFAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3cnccn3)no2)C1 49485467 DLOZDEMDUQUBFV-UHFFFAOYSA-N 391.309 2.665 0 40 GFAB Cc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)N2CCOCC2)o1 40013211 SSTVTCRMXZHTRU-KRWDZBQOSA-N 378.856 2.810 0 40 GFAB Cc1ccnn1-c1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1 40089226 QJPXGVRJBBLODY-UHFFFAOYSA-N 382.851 2.994 0 40 GFAB O=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCN(c2cnccn2)C1 40111888 PWEVHJQHMIFMEB-OAHLLOKOSA-N 394.397 2.951 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)CC2 31239516 MAKVGRALAPSTQG-MRXNPFEDSA-N 384.407 2.854 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)cc1-n1cnnn1 20730465 HSSBAIBPNSWEGH-UHFFFAOYSA-N 394.410 2.680 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 32906725 LDCXUIFIZPCCMZ-UHFFFAOYSA-N 395.289 2.780 0 40 GFAB CC(=O)NCc1ccc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 103133440 DJMBVGNBEFJWOX-OAQYLSRUSA-N 379.504 2.617 0 40 GFAB O=C(CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1 53141327 PBARZIZNYQEJDK-UHFFFAOYSA-N 390.837 2.888 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1S(=O)(=O)NC(C)C 37210463 AZKTTXDUHTWJFS-IIAWOOMASA-N 382.526 2.936 0 40 GFAB CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 828349 XAHKHIPBLJFDAH-UHFFFAOYSA-N 386.473 2.941 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCCCc2nnc3nc(C)cc(C)n23)c(C)c1 12391048 FFKISUFYHXAQHP-UHFFFAOYSA-N 387.509 2.578 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cn1 53546185 BFMSFPMZBVRVDC-UHFFFAOYSA-N 379.420 2.660 0 40 GFAB CN(CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)S(=O)(=O)c1cccs1 37470596 RDTXWRLZHYCODG-WDEREUQCSA-N 384.445 2.606 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nnc(-c3ccco3)o2)CC1 22786075 GDJAMTKPPCPZMI-UHFFFAOYSA-N 395.463 2.703 0 40 GFAB COC(=O)C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 8747945 YPQNXWYRELQFPH-ZDUSSCGKSA-N 380.853 2.552 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)NC[C@@H]2CCCO2)c1 6681318 IYUYPFNNCCXMQM-AWEZNQCLSA-N 398.481 2.621 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cn1cc(C(F)(F)F)ccc1=O 7086121 APTDADHVXRUYQR-UHFFFAOYSA-N 395.381 2.581 0 40 GFAB CCCCCN(C(=O)c1cccc(F)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 7723541 SAAYNGYMYINZGY-UHFFFAOYSA-N 390.459 2.895 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1cc(C(F)(F)F)ccc1=O 7831062 GXZGPWKNQNFLIE-UHFFFAOYSA-N 390.365 2.711 0 40 GFAB COc1ccccc1OCC(=O)N1CCCN(C)c2nc3ccccc3nc21 8061625 XAMIHQMHULRNQK-UHFFFAOYSA-N 378.432 2.890 0 40 GFAB CCN(CCOc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 23814805 JIULHEGIXTUIDQ-UHFFFAOYSA-N 383.448 2.841 0 40 GFAB O=C(NCc1cccc(C(=O)N2CCCCC2)c1)[C@H]1COc2ccccc2O1 43047354 HKXHXRVQLLHHPM-HXUWFJFHSA-N 380.444 2.769 0 40 GFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 12506515 JJXPVJWOVXCUDN-UHFFFAOYSA-N 381.797 2.556 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc2ccccc2n1C(F)F 12525518 QTNRZNOCPQYZJX-UHFFFAOYSA-N 384.342 2.954 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CN2CCOCC2)o1 22423662 GYKKGPXEDQPOFD-UHFFFAOYSA-N 382.873 2.594 0 40 GFAB Cc1cnc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)s1 72403333 XELVQPJGARYKEK-UHFFFAOYSA-N 377.429 2.857 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(F)c1 107670770 XIJPHOVFVHNAJG-UHFFFAOYSA-N 392.452 2.936 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ncc(-c2ccccc2)[nH]1 58264735 SPXZYBSFHGBNMS-UHFFFAOYSA-N 376.338 2.574 0 40 GFAB COC(C)(C)C(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C(C)=O)n(C)n2)CC1 100687640 UFUQKQJWPFVWCP-CALCHBBNSA-N 392.544 2.556 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 2146658 DDNWTLKITWNFPX-HNNXBMFYSA-N 375.421 2.658 0 40 GFAB biogenic NC(=O)[C@H]1CCCN(CCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 58426501 VTESGGWEJMGWFB-INIZCTEOSA-N 391.943 2.855 0 40 GFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(C)=O)cc1 10586782 FDSKYNNWQLGPBJ-AWEZNQCLSA-N 391.445 2.655 0 40 GFAB O=C(Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1)c1ccccc1Cl 102621543 PBHTWQNCTMZWSP-UHFFFAOYSA-N 395.806 2.902 0 40 GFAB CCOC(=O)c1ccc(NCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 11039396 GPUDJENTTKEKHX-UHFFFAOYSA-N 381.432 2.823 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)NC[C@H](c1ccco1)N1CCCCC1 45471847 UCUIPNPBZPBDMJ-GOSISDBHSA-N 397.475 2.739 0 40 GFAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1)C(=O)OC 36569617 JEHJXCVOKBAXCT-IWEFOYFVSA-N 388.443 2.794 0 40 GFAB C[C@@H]1CN(Cc2ccc(C(=O)NCc3cn4ccccc4n3)cc2)C[C@@H](C)O1 28875403 QAHOKDIDAUHBSY-IAGOWNOFSA-N 378.476 2.874 0 40 GFAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)c(OC)c1 26101043 XESIGXOILXGMPQ-UHFFFAOYSA-N 391.474 2.743 0 40 GFAB NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 11809208 GISQCIHPRZYWNQ-QAPCUYQASA-N 395.484 2.894 0 40 GFAB COc1ccc2c(CC(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)coc2c1 2664818 SZIXKFSRHZXEHI-UHFFFAOYSA-N 395.367 2.741 0 40 GFAB Cc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 3510175 SRDAPQVSDYXLFN-UHFFFAOYSA-N 391.445 2.802 0 40 GFAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NCCCO)c2c1C 13038388 YZUOLLAEWQMRMQ-UHFFFAOYSA-N 392.525 2.957 0 40 GFAB CCc1nnc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2C)s1 5033636 VLYPOLJMGIUYID-SNVBAGLBSA-N 375.483 2.504 0 40 GFAB Cc1cccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)c1 4384035 JVNDDKRPKZGXJT-UHFFFAOYSA-N 377.433 2.866 0 40 GFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCCCC1 14128873 MPRQREOWHJRUFR-UHFFFAOYSA-N 386.901 2.880 0 40 GFAB C[C@H]1C(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 14171429 JNTDUMBIFDFUGQ-HNNXBMFYSA-N 390.443 2.684 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)OC2CCCC2)c1 14202002 XFWQSFKRCFPXEO-UHFFFAOYSA-N 376.272 2.799 0 40 GFAB COc1cc2c(cc1OC)[C@@H](C)N(CCN1C(=O)c3ccccc3C1=O)CC2 5423073 LDLJIAURKCDAOL-CQSZACIVSA-N 380.444 2.919 0 40 GFAB biogenic CCOc1cc(CN[C@H](CC)CO)cc(I)c1OC 4670874 QUCCOJZVWGWNSM-LLVKDONJSA-N 379.238 2.559 0 40 GFAB Cc1cccc(Nc2nc(C(=O)N3CCN(c4ncccn4)CC3)cs2)c1 4688466 ZHIJGMLNSHZWJO-UHFFFAOYSA-N 380.477 2.948 0 40 GFAB Cc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 6651387 ZMPPBCAAJQOGMH-UHFFFAOYSA-N 387.505 3.000 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c(Cl)c1 408625387 SKEVRGVGKVYPPS-UHFFFAOYSA-N 376.906 2.569 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)NC1CCCCC1 4877425 DENYGASABWAMGF-UHFFFAOYSA-N 391.471 2.660 0 40 GFAB CCC(=O)N(c1nnc(SCc2nc3ccccc3c(=O)[nH]2)s1)C1CC1 7672934 XWZKMPSYNQUNQH-UHFFFAOYSA-N 387.490 2.972 0 40 GFAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)c(F)c1 16208074 CENIYJFATYCZJY-GHMZBOCLSA-N 387.338 2.764 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(F)c(Cl)c2)c1 7972595 QYZZVFJYPMCCSM-UHFFFAOYSA-N 385.848 2.780 0 40 GFAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1ccc(-n2cccn2)cc1 16683585 HARYKQBNYFJFPB-ZHZULCJRSA-N 386.415 2.909 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 19857201 FJNVEDVXADPHTC-FQEVSTJZSA-N 386.517 2.853 0 40 GFAB CS(=O)(=O)c1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 89490099 UWHHIGZNLUTJJG-UHFFFAOYSA-N 384.457 2.535 0 40 GFAB CN(c1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 409331729 PEWMXSIYUAVGII-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB Cc1ccc(C)c(N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O)c1 408705937 QQKAIKLYUJMOHZ-UHFFFAOYSA-N 384.542 2.781 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 38772995 FLPAGPNJSWQHJE-CQSZACIVSA-N 376.478 2.972 0 40 GFAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[C@@H](n2cccn2)C1 555259825 DDTFWAQJMDMKCY-QGZVFWFLSA-N 399.495 2.986 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 30848805 LYSWJXAOCQVBLY-UONOGXRCSA-N 394.468 2.866 0 40 GFAB O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ncc[nH]1 72370422 RVTNISFSKWKCHA-OAHLLOKOSA-N 398.532 2.944 0 40 GFAB COC1CCC(N(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 523791795 RUFRCIMCEMCOIA-UHFFFAOYSA-N 379.932 2.878 0 40 GFAB CS(=O)(=O)C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nncs2)cc1 576325554 IYGVCYFNDKYIND-AWEZNQCLSA-N 380.495 2.636 0 40 GFAB COc1cc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)cc(OC)c1 225220363 URURPNFLAOGGSX-UHFFFAOYSA-N 387.505 2.924 0 40 GFAB CN1CCC(n2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)CC1 571876031 GBFJREXEVCTCCG-UHFFFAOYSA-N 390.491 3.465 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(N2CCCC2=O)c1 225801605 ULFOCIPTZJEARX-UHFFFAOYSA-N 394.880 2.954 0 40 GFAB COc1cc2c(cc1OC)/C(=C/c1cccc(NS(C)(=O)=O)c1)C(=O)OC2 40545124 HLZQTXQQFBGBCE-PXNMLYILSA-N 389.429 2.673 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N1C(=O)CCC1=O 225512726 QZYACCSHBPGUCG-UHFFFAOYSA-N 394.836 2.803 0 40 GFAB O=C1COCCN1c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 41379038 ILQRYNHTFZLDQA-UHFFFAOYSA-N 380.853 2.645 0 40 GFAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(C)c1 224644749 MAXKVOYGSJLSRH-UHFFFAOYSA-N 381.425 2.901 0 40 GFAB O=C(c1cnc2ccccc2c1)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1 96075564 BPEQGNLDTATMLY-FDDCHVKYSA-N 395.503 2.578 0 40 GFAB Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)o1 96037131 SSYWIKSKACJFQZ-UHFFFAOYSA-N 390.505 2.883 0 40 GFAB Cc1nc(COCC[C@@H]2CCOC23CN(C(=O)c2ocnc2C)C3)cs1 247997288 AMKISEQGPFXPFC-CQSZACIVSA-N 377.466 2.586 0 40 GFAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C(=O)c2ccncc2)CC1 257279457 OGTGABFZRBOLRB-UHFFFAOYSA-N 395.488 2.808 0 40 GFAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 257240252 HSSZLNUCBKRYPI-ZULIPRJHSA-N 383.536 2.744 0 40 GFAB CCn1ccnc1[C@@H](Nc1ccc(-n2ccnc2C)cc1)[C@@H]1COCC[C@@H]1O 257297512 RHOGYYMYUGLQPT-AABGKKOBSA-N 381.480 2.948 0 40 GFAB CC[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(OC)cc1 25515114 OLXRHIMFPUFPJA-IBGZPJMESA-N 390.505 2.668 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@H]4[C@@H]3C2=O)cc1 253487232 HDJVVYZNPLXMGE-MUGJNUQGSA-N 385.423 2.592 0 40 GFAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2cccc(C)n2)c1 575403491 LZEVDKBPIPJGOO-LJQANCHMSA-N 381.476 2.931 0 40 GFAB CC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)C2CCCCC2)CC1 65963808 FOAXLNAFPNYZRC-UHFFFAOYSA-N 385.508 2.989 0 40 GFAB COC(=O)[C@H](CNC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccccc1 78936658 JYHGNEYSOSHFSN-CQSZACIVSA-N 375.812 2.517 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@H](Cn1cncn1)c1ccccc1 89826447 AIBNOLSYXKZKAP-MRXNPFEDSA-N 387.802 2.567 0 40 GFAB CC(C)(C)c1cc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)[nH]n1 585612697 MZWRAPXTJBABHI-GJZGRUSLSA-N 380.496 2.583 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)CCn1c(=O)n(C)c2ccccc21 11962525 XLBKTFMCAXAOEC-UHFFFAOYSA-N 382.416 2.685 0 40 GFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 13675372 VAAKJPYCLCKWAH-OAHLLOKOSA-N 376.478 2.556 0 40 GFAB Cc1nc(C)c(S(=O)(=O)N[C@H](CCN2CCOCC2)c2ccccc2)s1 19715985 DKIIMAVBLHJKBU-QGZVFWFLSA-N 395.550 2.502 0 40 GFAB Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3C(=O)Cc3c(C)noc3C)n2n1 19743568 PDUXXCMMIKIWJK-SFHVURJKSA-N 396.495 2.610 0 40 GFAB CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CCC(=O)NC1=O 5260018 YRKCRRKPTRXVJQ-FQEVSTJZSA-N 386.473 2.880 0 40 GFAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2F)C3)cc1OC 100142502 NFLCBBLLSWKOTB-GJZGRUSLSA-N 386.423 2.893 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)CCn3nc(C)nc3C)C1)O2 13227481 GTXMGLXEXYMFHA-UWJYYQICSA-N 396.491 2.866 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 9883476 BZCOBKMHFZGNHS-QVKFZJNVSA-N 384.480 2.726 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3C2)nc2ccccc21 1888913451 KNCYPPMMKAYEMI-IYBDPMFKSA-N 379.464 2.869 0 40 GFAB Cc1cccc2sc(N3CCN(c4cc(=O)n5ccccc5n4)CC3)nc12 1888917932 XFQUTHGJHZARMQ-UHFFFAOYSA-N 377.473 2.939 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 1848621271 ZCRCUAJNUCOUMB-GOSISDBHSA-N 386.883 2.951 0 40 GFAB CCCCCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5252146 ZXFVVRREVICSPS-UHFFFAOYSA-N 395.463 2.553 0 40 GFAB Cc1c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)oc2c(F)cccc12 40012774 DOOYYMURDNYICU-UHFFFAOYSA-N 387.411 2.865 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccccc2)ns1 40122714 BINJLPFNILXQQM-UHFFFAOYSA-N 379.449 2.831 0 40 GFAB O=[N+]([O-])C(=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2)[N+](=O)[O-] 100673834 GHXGBUJRQJRUQY-MGPUTAFESA-N 382.420 2.864 0 40 GFAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C1 32081076 CEAVSBHMEUMOGY-NSHDSACASA-N 394.836 2.578 0 40 GFAB O=C(c1cc(N2CCN(C3CCCC3)CC2)nc2ccccc12)N1CCOCC1 32829691 LZXASVGIYZSMNJ-UHFFFAOYSA-N 394.519 2.772 0 40 GFAB O=C(/C=C/c1ccccc1Cl)N1CCN(CC(=O)N2CCCCCC2)CC1 32820781 NZUPHTOOCIXIQB-MDZDMXLPSA-N 389.927 2.900 0 40 GFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 32883801 YPXCYOIZYUNGCX-CYBMUJFWSA-N 396.896 2.674 0 40 GFAB Cc1cccc(CN2CCC(NC(=O)C(=O)N(C)c3ccc(F)cc3)CC2)c1 52677952 QVXJBROHRDILTE-UHFFFAOYSA-N 383.467 2.878 0 40 GFAB COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)cc1 725187 XQTPUFRFNPYKBQ-UHFFFAOYSA-N 378.306 2.844 0 40 GFAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2ccccc2cc1O 896809 ILTHDTSYKKOCLV-UHFFFAOYSA-N 398.488 2.775 0 40 GFAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)c1OC 956681 RMUZUFDOKANXPQ-MRXNPFEDSA-N 384.461 2.530 0 40 GFAB COC(=O)c1cccc(NC(=O)CSc2nnnn2C2CCCCC2)c1 1340445 DBELYVIXTXUOFW-UHFFFAOYSA-N 375.454 2.696 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1985862 WKEQDEOAZVRVPK-GOSISDBHSA-N 380.444 2.834 0 40 GFAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCCSCc1ccccc1 2952482 PNOPWHLFOKLTOB-UHFFFAOYSA-N 397.500 2.520 0 40 GFAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 3465779 ZXLCLGNLWFJQAO-UHFFFAOYSA-N 399.476 2.913 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1C 4077461 SAOJWQJMPBSWRN-UHFFFAOYSA-N 379.464 2.648 0 40 GFAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(Cl)cc1 4316191 NABXKXUXKMMXRE-UHFFFAOYSA-N 382.767 2.949 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)cc3OC)n2)cc1 4512707 CFPURPNFXHIKRZ-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CCCCN1C(=O)c3ccccc3C1=O)C2=O 4514792 AQAHFZIXMAZNLH-SZNDQCEHSA-N 383.448 2.564 0 40 GFAB Cc1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)cc1 4853610 FOBWMZKHMXMXGE-UHFFFAOYSA-N 379.438 2.976 0 40 GFAB COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2c1 4903992 LOYSRMBJQNNQIP-UHFFFAOYSA-N 397.503 2.626 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CSc1nn2c(=O)c(C)nnc2s1 5143824 IXMKBGABGRJLPF-UHFFFAOYSA-N 381.870 2.547 0 40 GFAB Cc1c(C(=O)OCC(=O)c2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3 5246927 LJJYIIBGQRGWNA-UHFFFAOYSA-N 386.404 2.891 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 5864498 BFBMKLIDPIZAPG-AWEZNQCLSA-N 386.304 2.645 0 40 GFAB CCOC(=O)/C=C/C(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1 6011673 PSYYSRBITRXJBX-CMDGGOBGSA-N 388.445 2.795 0 40 GFAB CCOC(=O)COc1ccccc1/C=C(\Sc1nnc(CC)o1)C(=O)O 7508578 VRUZIDDDOGYMNF-LCYFTJDESA-N 378.406 2.792 0 40 GFAB COc1ccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)cc1 7610201 GRHBNUPMGYDXQV-UHFFFAOYSA-N 378.435 2.845 0 40 GFAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 7878545 GXHPNZAYGHMLPN-JTQLQIEISA-N 375.519 2.955 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 7940172 WPFQOZBMEPJLCC-MRXNPFEDSA-N 386.448 2.552 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)SC1=S 8106872 MWOLNKPHSQTXRC-XGICHPGQSA-N 387.866 2.731 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 8273792 TVHKSRPJMSTXRX-KRWDZBQOSA-N 395.459 2.949 0 40 GFAB CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8298186 VCIZSLVZNNZCPT-QRVBRYPASA-N 381.524 2.602 0 40 GFAB biogenic,in-vitro COc1ccc(CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C2CC2)cc1 8373228 ZRBKLWBQZHURGJ-UHFFFAOYSA-N 382.247 2.750 0 40 GFAB CSCC[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 8944668 WIADFFISKPHHTK-YESZJQIVSA-N 392.496 2.739 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)C1 9051948 BCAQIMHSVSDKHQ-ZMOMAAQPSA-N 383.448 2.704 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 9117442 FCAKDKZJDZIWSF-LBPRGKRZSA-N 393.896 2.686 0 40 GFAB COc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)c1 9237916 BCUSSUXGADLAQI-SJORKVTESA-N 381.461 2.993 0 40 GFAB C/C=C/Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(Cl)c2)n(C)c1=O 10104827 ANXBUOZIDGWWEN-SNAWJCMRSA-N 399.882 2.976 0 40 GFAB NC(=O)c1oc2ccccc2c1NC(=O)CCCS(=O)(=O)c1ccccc1 10218330 DDBVBCHWXYMOST-UHFFFAOYSA-N 386.429 2.724 0 40 GFAB CCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11115070 HAQWGVHOGRFEAN-UHFFFAOYSA-N 397.475 2.596 0 40 GFAB O=C(CN1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)NCCC1=CCCCC1 12087293 GJCVBKBIMYEVIN-HSZRJFAPSA-N 397.519 2.650 0 40 GFAB C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)C[C@@H](C)O1 12222041 CSHVAZVNSYHXBY-HUUCEWRRSA-N 387.505 2.896 0 40 GFAB COc1ccccc1CCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 12345804 FAEFDWWQLRZIDC-LJQANCHMSA-N 381.407 2.527 0 40 GFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 12550576 GRQVJNUKLZTFMV-GOSISDBHSA-N 396.466 2.950 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1nc(-c2cccs2)no1 12560732 SBSVESPVXUMPEH-UHFFFAOYSA-N 379.419 2.527 0 40 GFAB NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COc1cc(Cl)ccc1Cl 12741825 HRNKLYYUWXFNJJ-GFCCVEGCSA-N 394.258 2.811 0 40 GFAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12781717 UZTMDOJFIWLBSO-HXUWFJFHSA-N 398.434 2.718 0 40 GFAB COCCN(CCOC)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 12997939 LQLHPHAHNULCMU-UHFFFAOYSA-N 386.477 2.731 0 40 GFAB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccccc1)S(C)(=O)=O 13711081 VRUBTYMWVQCJCJ-QGZVFWFLSA-N 390.461 2.657 0 40 GFAB CCNC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 14085725 LXTXBQSBOYYGGF-OKILXGFUSA-N 377.514 2.630 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(Cn2cncn2)cc1 14148212 SEDHUENNNSUOGG-JKSUJKDBSA-N 390.443 2.850 0 40 GFAB CC(=O)Nc1c(C)cc(C)c(CNC(=O)COc2ccc3c(c2)OCO3)c1C 15108841 WCGLMKAQHVFYQQ-UHFFFAOYSA-N 384.432 2.994 0 40 GFAB CC(C)n1ncc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc(C3CC3)nc21 15630130 RRSZUXZXNJQPTE-UHFFFAOYSA-N 399.476 2.789 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC)cc2C1=O 15966788 JKEODADLTVSMIO-AWEZNQCLSA-N 396.443 2.819 0 40 GFAB Cc1ccc(CC(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1 19209269 FYRCQECHNHYGGQ-LJQANCHMSA-N 391.519 2.860 0 40 GFAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)c3ccc(C)s3)c3ncccc23)C1 19217113 OGWYHFCFBKEXMU-HNNXBMFYSA-N 397.504 2.567 0 40 GFAB Cc1cccc(O[C@H](C)c2nnc(NC(=O)[C@H](C)N3CCOCC3)s2)c1C 19235675 MOUPKQCDJGCYCP-LSDHHAIUSA-N 390.509 2.954 0 40 GFAB CN1CCN(C(=O)CCc2c[nH]c3ccccc23)C[C@H](Cc2ccccn2)C1=O 19696820 VZOSLEAKPONKEV-SFHVURJKSA-N 390.487 2.655 0 40 GFAB Cc1cccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 22467402 YYOCCHVXHIIFGM-HXUWFJFHSA-N 398.503 2.590 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)cc1 22522936 POQYWZVIXSIANL-LJQANCHMSA-N 389.521 2.875 0 40 GFAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccsc2)CC1 22767130 UXDJTDDIPIEVPO-KRWDZBQOSA-N 399.969 2.669 0 40 GFAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(C(C)=O)CC3)c(O)n2n1 22855120 ACHWUBPVDOKNAZ-QGZVFWFLSA-N 399.520 2.621 0 40 GFAB C[C@@H](OC(=O)c1sccc1-n1cccc1)C(=O)Nc1sccc1C(N)=O 22888585 DULQSVQVZIBSMD-SNVBAGLBSA-N 389.458 2.883 0 40 GFAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC(C(=O)N2CCCCCC2)CC1 28082169 AHMOANBDXWQZHY-UHFFFAOYSA-N 395.507 2.581 0 40 GFAB Cc1ccc(CN(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 30888979 AFMTWPBAPNMXQT-UHFFFAOYSA-N 389.473 2.589 0 40 GFAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(C(=O)O)cc3)nn1C)C2 32124402 SHVTYHBYKHNLRA-UHFFFAOYSA-N 393.399 2.959 0 40 GFAB biogenic C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 40069324 GIFYWUZQOOHJBH-OAHLLOKOSA-N 379.888 2.857 0 40 GFAB COc1cccc(-c2c3c(=O)n(C[C@H]4CCCO4)ccc3nc3nc(C)nn23)c1 40398509 RWLPIGYBUTULCX-MRXNPFEDSA-N 391.431 2.602 0 40 GFAB CC(C)c1ccc([C@H](C)NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)cc1 41070464 WXUOMWSRDSPCRV-ZDUSSCGKSA-N 375.494 2.505 0 40 GFAB O=S(=O)(c1ccc(CNC(=S)Nc2ccccc2)cc1)N1CCCC1 44192528 RULGHTUNEOCOIZ-UHFFFAOYSA-N 375.519 2.958 0 40 GFAB COCCN1C[C@@H](C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1=O 45307634 CUPLVRJIPWEARC-INIZCTEOSA-N 385.489 2.807 0 40 GFAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1nc2nc(C)cc(C)n2n1 48219771 DTXYZEHWKJZMLE-QGZVFWFLSA-N 395.463 2.571 0 40 GFAB CCOC(=O)CCN(CC1CC1)C(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 48323962 IUDFNAJTEUOKHL-OAHLLOKOSA-N 392.883 2.885 0 40 GFAB O=C(Cn1c(=O)cnc2cc(C(=O)NC3CC3)ccc21)Nc1ccc(Cl)cc1 49008011 USOVQZKXHZQYHL-UHFFFAOYSA-N 396.834 2.581 0 40 GFAB O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)Nc1ccc(F)cc1F 49008230 ZNVNPQCUKCYTFT-UHFFFAOYSA-N 397.341 2.600 0 40 GFAB COc1ccc(NC(=O)Cn2cnc(-c3noc(-c4cccnc4)n3)c2)cc1 49411845 YUZHMSANNBWGMN-UHFFFAOYSA-N 376.376 2.642 0 40 GFAB NC(=O)[C@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2Cl)CCO1 51587036 LMDXJBXRJQXWBN-MRXNPFEDSA-N 375.812 2.850 0 40 GFAB CCN(CC)[C@@H](CNC(=O)c1cccc(N2CCNC2=O)c1)Cc1ccccc1 52590992 DYOFHPSUAQLESU-OAQYLSRUSA-N 394.519 2.899 0 40 GFAB COC(=O)c1cccc(NCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 52896156 DEHHCDWLOSBTMH-UHFFFAOYSA-N 385.464 2.680 0 40 GFAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)cc1)N1CCN(CC2CC2)CC1 55673769 DSLHWPTXSHVTQQ-UHFFFAOYSA-N 398.528 2.828 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)C(=O)c1ccc2c(c1)CCC2 58295475 GSZQROKYZAKPQQ-UHFFFAOYSA-N 378.472 2.507 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(Cl)ccn1 58347272 QKTVFPXDEBTIGT-UHFFFAOYSA-N 393.896 2.968 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(-c4ncc(C)o4)c3)ccc21 66857377 KQSIOGDHUAVUJL-UHFFFAOYSA-N 390.399 2.925 0 40 GFAB C[C@H](OC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)c1ccc(F)cc1 71850399 RMHNUDFSUKGMQV-LBPRGKRZSA-N 384.338 2.939 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)c2cccc3nccnc23)C[C@H]1c1ccc(OC)cc1 72346893 BGJTZKPHHWMMLT-ZWKOTPCHSA-N 391.427 2.667 0 40 GFAB Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 96243589 GIEHPJHQJNIJBJ-HXUWFJFHSA-N 394.519 2.608 0 40 GFAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2ccoc2)CC3)C1=O 96262763 FGRLCGYJIYOPBL-JOCHJYFZSA-N 387.524 2.712 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(C)cc2)c1 101309882 XYGKUGZWLMVTJR-SLFFLAALSA-N 377.444 2.539 0 40 GFAB O=C(c1ccccc1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101664193 NZAYHSKIYCDQMH-UHFFFAOYSA-N 377.444 2.663 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 102829262 UVQRIPDTBBUCDQ-YWPYICTPSA-N 388.342 2.991 0 40 GFAB CC(C)c1ccc2c(c1)CCCN2C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 105641885 RXAQVBONOYADEY-ZCLUNYJNSA-N 378.472 2.896 0 40 GFAB C[C@H](O)CN1CCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)C[C@@H]1C 108093715 VZRYUPXQOTXEER-BZSNNMDCSA-N 391.512 2.553 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 113947721 ZMIVYRXDSPIVDS-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)o1 206968826 HUGJWPMVIGWGLH-NSHDSACASA-N 387.816 2.583 0 40 GFAB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220613554 IZTSXZAKSSOYMQ-KRWDZBQOSA-N 392.477 2.887 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 223079553 IWCBKYVNXUMKDF-INIZCTEOSA-N 390.505 2.973 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1 224001530 MZVXVDYBVXFENJ-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB CC[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 224882273 VVAXEMOYALXCSM-SFHVURJKSA-N 378.469 2.855 0 40 GFAB CC(C)Oc1cccc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 224973524 XOFOLVSTMVBUSS-LJQANCHMSA-N 390.505 2.723 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225105610 KQJAODGCFUAYQN-UHFFFAOYSA-N 385.388 2.732 0 40 GFAB COc1ccc(CCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1OC 225317407 YAOVBUGWGKCJIB-UHFFFAOYSA-N 387.505 2.935 0 40 GFAB COc1cc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 242457613 BPSVHJNAFDCWKL-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2CCC[C@@](O)(c3cccnc3)[C@H]2C1 248055654 SGGDQJLWJCNJCX-RBDMOPTHSA-N 382.508 2.511 0 40 GFAB COc1cccc(CCNC(=O)c2cn(-c3ccccc3)c(=O)cc2OC)c1 253471821 FWKNTNYGELKNLD-UHFFFAOYSA-N 378.428 2.827 0 40 GFAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccoc3)CC2)C1 306125976 DHXGSMXXKRZQJN-UHFFFAOYSA-N 395.438 2.754 0 40 GFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)CC1 408625376 SIGLJHFSVBTUCA-UHFFFAOYSA-N 387.505 2.574 0 40 GFAB CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 505300734 YKYRFOYAKNZIHM-LJQANCHMSA-N 382.391 2.968 0 40 GFAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCc2c([nH]c3ccccc23)C1 524733670 CQDZRQPOAXBOSN-UHFFFAOYSA-N 390.472 2.892 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCC[C@H](CCO)c2ccsc2)cc1 575621711 RPQCMDQLAIGONL-MRXNPFEDSA-N 395.546 2.757 0 40 GFAB Cc1ncc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)o1 585123987 YKRMHGCCDQQTDV-UHFFFAOYSA-N 390.292 2.796 0 40 GFAB Cn1ccnc1COc1ccc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 585268332 WUCLNANCUBJTTG-NHCUHLMSSA-N 397.450 2.762 0 40 GFAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(F)c2)n1 604382092 DCRZKRQXMFESSO-UAFMIMERSA-N 387.499 2.603 0 40 GFAB biogenic,in-vitro O=C(Cc1ccc2c(c1)CCO2)N1CCN(Cc2cc3ccccc3[nH]2)CC1 629385637 YLMADIWVLHSPKO-UHFFFAOYSA-N 375.472 2.990 0 40 GFAB CCOCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OCCCC1 643557234 XJHWDKLMIWXMNA-UHFFFAOYSA-N 382.888 2.888 0 40 GFAB C[C@@H]1CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)CCc2ccc(Cl)cc21 653038991 UOLQMUUIZKENLN-CYBMUJFWSA-N 397.862 2.944 0 40 GFAB COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 654031882 QJMJQPOZGZVATE-NJNPRVFISA-N 393.443 2.834 0 40 GFAB CC(C)C[C@@H](C(=O)O)C(=O)N[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 670419315 QZXLHNSJIRRTJP-CVEARBPZSA-N 378.469 2.943 0 40 GFAB CCN1CCN(C(=O)c2cccnc2Nc2ccccc2F)C[C@@]12CCOC2 1615589305 NZJNVORRAARGQW-OAQYLSRUSA-N 384.455 2.901 0 40 GFAB COc1ncccc1C(=O)N1CC[C@@H](Oc2ccncc2Br)C1 1776001826 NCAAXPVDCWDQKL-LLVKDONJSA-N 378.226 2.541 0 40 GFAB Cc1cccc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)n1 2037984750 MLHOQIOVRGHQKI-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB O=C1NCCCCO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2Oc2ccccc21 2037985258 DBPOOAOGVDBFSQ-LEWJYISDSA-N 384.451 2.998 0 40 GFAB Cc1nc(C(=O)N2CC[C@@]3(C[C@H](NC(=O)c4ccccc4)CCO3)C2)cs1 2055835234 WEUPXBYRJXOILZ-OXQOHEQNSA-N 385.489 2.645 0 40 GFAB COc1cnc(O[C@@H]2CCN(c3nc4c(OC)ccc(OC)c4s3)C2)nc1 2087155503 STEUXQTUMSCPPN-LLVKDONJSA-N 388.449 2.770 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H](OC(C)=O)c2ccccc2)cc(C(=O)OC)c1 1465747 XOAAFAYBPVILRL-QGZVFWFLSA-N 385.372 2.503 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NC[C@@H]1CCCO1 3378362 LXLFWPQLKQBJLN-AWEZNQCLSA-N 392.452 2.844 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 3497926 YKCONZVTMUNIKW-INIZCTEOSA-N 377.780 2.670 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(Cl)nc1 3545384 KNIKDCKXMPJILT-UHFFFAOYSA-N 396.230 2.642 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC(C)=O)cc1 3636532 KKQSXKDHUBNQJB-MEDUHNTESA-N 388.445 2.824 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)ccc1F 5136891 SSSYMWZJOUUMNG-UHFFFAOYSA-N 398.481 2.647 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 5234450 AMTILXVSLVCYDW-UHFFFAOYSA-N 382.507 2.791 0 40 GFAB CCOc1ccc(CN(C)C(=O)CSc2nnnn2-c2ccccc2)cc1 5652253 DEJLWLGGFRYAHO-UHFFFAOYSA-N 383.477 2.812 0 40 GFAB CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(CCC3=CCCCC3)c2C)C1=O 5878577 XZXQBZAUIPVOMO-UHFFFAOYSA-N 385.464 2.989 0 40 GFAB CN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccc(Cl)cc1 6586325 PFJGRGSVMANPII-UHFFFAOYSA-N 377.847 2.708 0 40 GFAB COc1cc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc(OC)c1OC 6610631 WXNGBZAUIAGDLR-UHFFFAOYSA-N 393.823 2.839 0 40 GFAB CCOc1ncccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 6613105 NEJCNQDACFNNMD-UHFFFAOYSA-N 377.447 2.746 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(C)noc1C 6790646 JLQOTELAYTWEIV-UHFFFAOYSA-N 393.465 2.727 0 40 GFAB CC(=O)NCc1ccc(C(=O)COC(=O)c2cncc(Br)c2)s1 7417291 BYXPQJOHFRSSQF-UHFFFAOYSA-N 397.250 2.581 0 40 GFAB Cc1cccc(COC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)c1 7547643 DBEJRYSGXFZHOF-QGZVFWFLSA-N 398.484 2.899 0 40 GFAB CCN(CC)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 7686379 SQQXSLLTCNISAD-IBGZPJMESA-N 378.476 2.746 0 40 GFAB Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@H]2c1cccnc1 8993326 VSABEGDOKGDUPQ-HXUWFJFHSA-N 399.458 2.589 0 40 GFAB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(O)cc1=O 9478196 JVQCNADSIWAPAJ-UHFFFAOYSA-N 383.857 2.752 0 40 GFAB CC(=O)c1ccc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9959053 SELKUTGLSJZBLQ-UHFFFAOYSA-N 377.404 2.895 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 11705591 SAUQKZYDWHTVMD-CYBMUJFWSA-N 383.477 2.640 0 40 GFAB Cc1cnc(-c2nc(N(C)CCc3cn[nH]c3)ncc2-c2onc(C)c2C)cn1 12156469 OQUBJGJKOPBSAZ-UHFFFAOYSA-N 390.451 2.916 0 40 GFAB O=C(Cc1ccccn1)N1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 12256602 YYHWLPQMBBLEGH-UHFFFAOYSA-N 375.432 2.588 0 40 GFAB O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1 12290933 IANJZFKXQBIYHJ-UHFFFAOYSA-N 378.394 2.817 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)c(F)c1 12517595 WPKYJFVFSKJSEK-UHFFFAOYSA-N 393.418 2.832 0 40 GFAB O=C(N1CCN(Cn2ncsc2=S)CC1)C12CC3CC(CC(C3)C1)C2 12931133 QSDDCXJUVRIKHC-UHFFFAOYSA-N 378.567 2.992 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 13042460 QIBKVRJGYCDNJJ-UHFFFAOYSA-N 385.411 2.920 0 40 GFAB O=C(CC[C@@H]1CCCCC1=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 13268272 CIWWKRYBLDGWQZ-KRWDZBQOSA-N 391.475 2.990 0 40 GFAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(CN(C)C)c1ccccc12 13635447 ZHNZGWOGDAKWAI-QHCPKHFHSA-N 388.471 2.682 0 40 GFAB COc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)c1 13693298 QEJGEYSTEFFJIF-INIZCTEOSA-N 377.404 2.784 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)COc1ccc(F)c(Cl)c1 14165828 YVHWMJIWSRODCY-UHFFFAOYSA-N 380.803 2.930 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 16479613 AFFCUDBXRJCSBF-GFCCVEGCSA-N 379.819 2.857 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 19169104 JOVMFNRBJKAZBO-UHFFFAOYSA-N 397.294 2.929 0 40 GFAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 20215017 LMAZHLZXFNJMCL-UHFFFAOYSA-N 381.404 2.922 0 40 GFAB CCOc1ccccc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O 20461489 QQYRQTTXEYJXRR-UHFFFAOYSA-N 390.505 2.818 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20567269 FVKQFELKGIGCNI-ZKNHNOBHSA-N 389.883 2.517 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccs1 20802090 MGSGPSLUKLMXRY-DLBZAZTESA-N 399.472 2.860 0 40 GFAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 21180099 ZRWSPGWKKVMIEK-XUXNNNHQSA-N 375.494 2.595 0 40 GFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCN1C(=O)c1ccco1 22320479 YQYQNHYWMASZOK-INIZCTEOSA-N 392.419 2.511 0 40 GFAB CC(C)c1cccc(N2C[C@H](C(=O)Nn3cnc4ccccc4c3=O)CC2=O)c1 24834520 OBTDGGXHADMKKQ-MRXNPFEDSA-N 390.443 2.643 0 40 GFAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2-n2cncn2)cc1 25001770 LLXLLBMBUGUGLT-UHFFFAOYSA-N 381.461 2.886 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)c1 25067358 IUPPOYGFKXROHB-UHFFFAOYSA-N 399.476 2.761 0 40 GFAB O=C(NCCNc1nc2ccccc2s1)[C@@H]1CCCN(c2cnccn2)C1 32828090 FJAPVQTWOAQKLG-CQSZACIVSA-N 382.493 2.531 0 40 GFAB CCOC(=O)/C=c1\s/c(=C/c2sccc2C)c(=O)n1Cc1ccccc1 33463061 JTHXGYLTAHFXHI-HMQSQOOHSA-N 385.510 2.500 0 40 GFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 36714490 LFHBPQGODVHLHS-UHFFFAOYSA-N 389.471 2.969 0 40 GFAB O=S(=O)(c1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 38408244 OIVWTUWRIBKDRP-UHFFFAOYSA-N 389.374 2.750 0 40 GFAB CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 40104120 LTBSHOMGELCFJJ-UHFFFAOYSA-N 377.466 2.923 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 44324702 FLWLWBVOXLUTQZ-FZMZJTMJSA-N 376.434 2.669 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)Nc1nnc(-c2ccccn2)s1 47790606 FOBOQWMUIJZDNS-UHFFFAOYSA-N 378.421 2.503 0 40 GFAB Cn1c(C(=O)NCCCN2CCCC2=O)c(Br)c2ccccc21 48260405 WFWRUJAYKLMHJW-UHFFFAOYSA-N 378.270 2.683 0 40 GFAB O=C(Cc1ccc(-n2cccn2)cc1)NCCC(=O)N1CCCc2ccccc21 48261714 BOXRNABFIHXDHM-UHFFFAOYSA-N 388.471 2.901 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccc(F)c1 48324895 WWSGNKKAIRNRBM-BEFAXECRSA-N 384.455 2.556 0 40 GFAB CCCNC(=O)c1ccc2c(c1)ncc(=O)n2CC(=O)Nc1ccc(Cl)cc1 49007985 GZMVHRPUXIXTJL-UHFFFAOYSA-N 398.850 2.828 0 40 GFAB CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 49889958 MESVHYZYWUKPJK-UHFFFAOYSA-N 386.823 2.894 0 40 GFAB O[C@@H](COc1ccc2ccccc2c1)CSc1nnnn1C[C@@H]1CCCO1 52816339 ZGUURVUPQCGURP-WMZOPIPTSA-N 386.477 2.537 0 40 GFAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccc(F)cc1 54201837 HFOWQOKLORSUNG-UHFFFAOYSA-N 377.169 2.756 0 40 GFAB CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 57171278 JBNORAMFRBCXDV-IBGZPJMESA-N 386.517 2.619 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 57896235 LYDIBVHGBBHNKT-UHFFFAOYSA-N 378.787 2.563 0 40 GFAB CC(C)N1C[C@@H](C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1=O 58147835 STDIUFKFHCPBEU-IBGZPJMESA-N 390.487 2.958 0 40 GFAB CC[C@@H](NC(=O)COc1cccc(C(N)=O)c1)c1nc(-c2ccccc2)c[nH]1 58245528 YKBCBOLKIZYADW-QGZVFWFLSA-N 378.432 2.822 0 40 GFAB O=C(CN1CCc2sccc2C1)N1CCC[C@@H]1c1nnc2n1CCCCC2 70012414 MSQMVNVESQGQEQ-MRXNPFEDSA-N 385.537 2.788 0 40 GFAB O=C1C[C@@H]([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)Oc2ccccc21 72396472 JJWCNDMDQHIECJ-LIRRHRJNSA-N 376.416 2.616 0 40 GFAB O=S(=O)(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 84490375 GSDNBVDKRRNKRH-UHFFFAOYSA-N 379.344 2.884 0 40 GFAB O=C(NCC(=O)N1CCCc2ccccc21)Nc1ccc2c(c1)OCCCO2 84581952 DYGLPYMZCUWPAT-UHFFFAOYSA-N 381.432 2.949 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(C(C)(C)C)on2)c(OC)c1 95464082 AQKRFTSTMPLZPM-CYBMUJFWSA-N 376.409 2.935 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(N(C)C)nc2ccccc12 95468792 IQRGVVSBQBWEMF-UHFFFAOYSA-N 393.472 2.871 0 40 GFAB CC(C)n1c(CNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2ccccc21 95479219 QDLJNJMJKIRWTK-IBGZPJMESA-N 375.436 2.510 0 40 GFAB Cn1nc(C(=O)N2CCC[C@]3(C[C@H](CN4CCCC4)CO3)C2)c2ccccc21 96228372 ZESGVEDIMLBCLL-VGSWGCGISA-N 382.508 2.680 0 40 GFAB CCOc1cc(Cl)ccc1CNC(=O)c1cc(N2CCOCC2)ccn1 97104096 NOIBVMWNAPNHEJ-UHFFFAOYSA-N 375.856 2.900 0 40 GFAB O=C(CSc1nc2ccccc2o1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404042 QEKQZADUAZWLDQ-ZIAGYGMSSA-N 381.457 2.728 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn1Cc1c(F)cccc1Cl 102624888 NIVDCOBGQXXLOZ-MUIFIZLQSA-N 389.814 2.699 0 40 GFAB C[C@@H](CNCc1ccc(-n2cnc3ccccc32)cc1)CN1CCN(C)CC1 105440105 RRLKPVRMHQFDCK-IBGZPJMESA-N 377.536 2.999 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCc3c(cnc4cc(C)nn34)C2)[nH]n1 206952166 XZRZYJCPVOMJPJ-UHFFFAOYSA-N 388.431 2.635 0 40 GFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220463766 UMTMLVDJAPTHDW-CQSZACIVSA-N 394.468 2.647 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC)cc1 223163823 QHXIUBRDEWZLOW-SFHVURJKSA-N 392.477 2.887 0 40 GFAB CC[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224309597 OGUCVZCVDBEQRQ-SFHVURJKSA-N 396.459 2.868 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224917941 NZUZCXQAPKJYOO-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB Cc1ccc(CN(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 225620445 DDQNBJSDKBWRSQ-UHFFFAOYSA-N 388.533 2.894 0 40 GFAB CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 225706219 OVTMKJHDGLDIMN-ZDUSSCGKSA-N 389.882 2.839 0 40 GFAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 225964046 RRDYHXUPUKQEOK-UHFFFAOYSA-N 390.461 2.806 0 40 GFAB C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1)[C@H]1C[C@H]2CC[C@H]1C2 245237843 ZARGVBGIFOXWHK-JWJDVKPSSA-N 390.524 2.909 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N[C@H](C)c2cc(O)nc(N3CCC(C)CC3)n2)C1 247814723 CEHREBUNWFJGTN-OWCLPIDISA-N 376.501 2.801 0 40 GFAB O=C(c1cc(-c2ccco2)on1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 252478182 AFGBYSYKQFULII-UHFFFAOYSA-N 393.325 2.706 0 40 GFAB CN1c2ccc(NC(=O)CCSc3ccccc3)cc2N(C)S1(=O)=O 253472578 NRJRRGSGGIYBDM-UHFFFAOYSA-N 377.491 2.938 0 40 GFAB COCC(=O)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 257209955 BSNRDSHPWDEXOE-UHFFFAOYSA-N 395.385 2.986 0 40 GFAB COc1cccc(OC)c1OCC(=O)N1[C@@H]2CN(C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257217001 CXBKMDLFZKBCNW-TUXJCPBXSA-N 388.508 2.946 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257260651 LDTZOZDZWMRMHP-HNNXBMFYSA-N 375.856 2.761 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n1 257266707 MEDIYMUSUUMPEA-IBGZPJMESA-N 392.459 2.884 0 40 GFAB CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CCOC)[C@H]2c2ccccc2C)on1 257279044 OETSOZPMDMMOHX-CTNGQTDRSA-N 399.491 2.788 0 40 GFAB CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)s1 257341795 ZMAALWJIBNPHSO-QCUYGVNKSA-N 376.526 2.887 0 40 GFAB CCOc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409017375 NUPFERLLVJXGLZ-SFQUDFHCSA-N 379.416 2.925 0 40 GFAB Cc1cccc(Cc2cnc(NC(=O)CN3CC(=O)N(C)C3=O)s2)c1Cl 585123728 JVKLCKSJNVEDEM-UHFFFAOYSA-N 392.868 2.528 0 40 GFAB CC(C)(CNC(=O)N1CCc2c(cccc2C(N)=O)C1)c1ccc2c(c1)OCO2 660511786 KKEYOXGYXFMFLE-UHFFFAOYSA-N 395.459 2.560 0 40 GFAB COc1ccccc1CNc1ncc2c(=O)n(-c3ccccc3)c(O)nc2n1 888106998 IDXDFSYDLMEFOK-UHFFFAOYSA-N 375.388 2.502 0 40 GFAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)CC2=CCCCC2)C1 2055746352 RXBNHTLHEFZCOA-XUVXKRRUSA-N 383.492 2.594 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2C)cc1OC 904680 OUMPQONHLNRVME-UHFFFAOYSA-N 390.509 2.850 0 40 GFAB COc1cc(C(=O)N2CCC(n3nnc4ccccc43)CC2)cc(OC)c1OC 1380490 RQYAMAQPCKTWIB-UHFFFAOYSA-N 396.447 2.934 0 40 GFAB CN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22373660 DFYVVDHEEKVRKC-HNNXBMFYSA-N 384.407 2.608 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1985848 ZSEMTKUIMKPGNU-GOSISDBHSA-N 380.444 2.779 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c2c(C)cc(C)nn12 23223573 RZIMETOCNMRXHK-ZDUSSCGKSA-N 383.477 2.949 0 40 GFAB CCCN(C(=O)CSc1nc2ccccc2n1CC)[C@H]1CCS(=O)(=O)C1 7153819 AASUNODDMSBVIL-AWEZNQCLSA-N 395.550 2.574 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 51315673 GQBICZNBYGWVAG-UHFFFAOYSA-N 385.401 2.964 0 40 GFAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2Cc2ccccc2)c1 58155370 IOYYKQVHCCMNPL-IBGZPJMESA-N 386.517 2.897 0 40 GFAB O=C1C(=O)N(CN2CCC[C@@H]2c2cccs2)C(=O)N1Cc1cccs1 23805042 GYVGNLSRKNRNDH-CYBMUJFWSA-N 375.475 2.895 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 55313085 GIZSMMSITKWLNP-INIZCTEOSA-N 384.457 2.589 0 40 GFAB O=C(CNc1ccc(Br)c(C(F)(F)F)c1)NC(=O)NC1CC1 12590270 VNTVAWBSIAZECM-UHFFFAOYSA-N 380.164 2.868 0 40 GFAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1c[nH]ccc1=O 47929569 AEFDVZIAJXAATR-UHFFFAOYSA-N 384.442 2.514 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)c(OC)c1OC 3219496 NSPCGDXZMXXVCE-UHFFFAOYSA-N 393.823 2.839 0 40 GFAB CN(C(=O)CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)C1CCCCC1 107592256 NPCLYRYVKBPAPG-UHFFFAOYSA-N 382.508 2.717 0 40 GFAB O=C(NC1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)c1ccccc1 9853057 LTGFQTVORXREIK-UHFFFAOYSA-N 378.472 2.975 0 40 GFAB CCn1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 8709903 RRFOHVIORHPUOC-AWEZNQCLSA-N 386.477 2.670 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CCc2ccsc2)cc1 12768199 DOWFKTWBEIANAL-UHFFFAOYSA-N 383.491 2.553 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NCCc1ccn(-c2ccccc2)n1 58195510 FBLSDJZRYCFIQV-UHFFFAOYSA-N 376.416 2.529 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12755791 CVCQPHPSZMXDJZ-UHFFFAOYSA-N 383.473 2.623 0 40 GFAB COc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 26780937 HNNUHKGIGFXJNI-SFHVURJKSA-N 376.884 2.911 0 40 GFAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12745816 YUOGBUQNQQVXNA-NSHDSACASA-N 385.295 2.810 0 40 GFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2c(c1)OCO2 3319962 DCFGHCPLBJIEOH-UHFFFAOYSA-N 382.397 2.716 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CSc3nccn3C)cc2F)C[C@H](C)O1 58429841 AAJVGXFSLHRDJO-STQMWFEESA-N 378.473 2.904 0 40 GFAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCCC[C@@H]1C)OCO3 2238387 VWEIRIBVULLQFJ-LBPRGKRZSA-N 387.436 2.886 0 40 GFAB O=C(Cn1cccnc1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 58510978 YMMBOZSODATLIG-UHFFFAOYSA-N 394.378 2.948 0 40 GFAB Cc1noc(C)c1CN1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 58763434 ZTHBVWGEYYMTFC-UHFFFAOYSA-N 383.427 2.574 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2c(=O)n(C)c3ccccc32)sc(C)c1C 22322537 JDQHETCIDDIZSV-UHFFFAOYSA-N 387.461 2.834 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C)c1 23961328 ILGASOPAFKTTSV-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccn1 11367748 YXWKDQKJAQMERZ-MOKGIYGOSA-N 399.516 2.972 0 40 GFAB COc1cc(C)c(NC(=O)CNC(=O)c2ccc(Br)o2)cc1OC 11647336 DGHHLPUMRWYODM-UHFFFAOYSA-N 397.225 2.736 0 40 GFAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 45951828 CBIYJPFMUXVCND-CYBMUJFWSA-N 388.773 2.785 0 40 GFAB C=C1c2ccccc2C(=O)N1CCC(=O)NCC1(N2CCOCC2)CCCCC1 12997194 GRSXYVSRKMPQON-UHFFFAOYSA-N 397.519 2.655 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1nc(C)cc(C)n1 12979605 JPWOLKLCHWDNBA-CYBMUJFWSA-N 375.450 2.765 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)c1C 12997260 HVJGXLRUSHQASO-GOSISDBHSA-N 398.334 2.970 0 40 GFAB Cc1nc2c3ccccc3nc(SCc3nnnn3Cc3ccccc3)n2n1 13231142 KPKCFWYDGCZGHK-UHFFFAOYSA-N 388.460 2.913 0 40 GFAB CCOC(=O)Cc1csc(SCc2cc(=O)n3cc(C)ccc3n2)n1 5014547 FJNACVLFOUVKTD-UHFFFAOYSA-N 375.475 2.857 0 40 GFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1cccs1 5281974 QAISXFRSXVXEQL-UHFFFAOYSA-N 389.458 2.978 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)C1 4477847 JUWLXUNHCPLGRK-VLXJIEOASA-N 377.872 2.612 0 40 GFAB COc1cccc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 6486653 JAVCZCOIOHEAKI-UHFFFAOYSA-N 386.448 2.647 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OC)c1 4643787 XPAGXWZLYATFMM-HXUWFJFHSA-N 379.416 2.983 0 40 GFAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3)C2=O)cc1 5798014 ODGIMKRZRHUARJ-QHCPKHFHSA-N 393.487 2.936 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 4862899 HSVKCNAZNOMLDI-RDJZCZTQSA-N 397.818 2.637 0 40 GFAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 7055029 FYWXUZOCXXDVDW-UHFFFAOYSA-N 398.481 2.801 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 15732047 HBQBROIKXLXRKB-UHFFFAOYSA-N 391.474 2.880 0 40 GFAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1N1CCOCC1 7872640 PDXWRXKCVUTYIB-GFCCVEGCSA-N 395.916 2.907 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)n2nnc3sc4c(c3c2=O)CCCC4)cc1 7995152 BVGUNNTXQRBKCN-LLVKDONJSA-N 384.461 2.940 0 40 GFAB Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c(C)c1 20245040 XBNMBAAMYRXJRH-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)c(OC)c1 8217988 PIXQKAYIXDDIBT-HNNXBMFYSA-N 386.423 2.555 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(F)cc1 20014851 IZBLCESSPVBCSN-AWEZNQCLSA-N 394.468 2.722 0 40 GFAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(C)cc2C)n1 27743056 OEQLKWZNRMAKMO-UHFFFAOYSA-N 398.282 2.902 0 40 GFAB CNC(=O)c1cccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)n1 95972208 ZATAWKORUDATRC-UHFFFAOYSA-N 394.456 2.685 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 89939192 VKFWGFMQOPCIQX-CYBMUJFWSA-N 382.386 2.590 0 40 GFAB CC[C@H](NC(=O)COc1ccc(C)cc1C)c1cccc(S(N)(=O)=O)c1 557051736 MAWJPVPXERKSJJ-KRWDZBQOSA-N 376.478 2.597 0 40 GFAB Cc1cc(-n2cc(C(=O)N3CCN(c4ccccc4C)CC3)nn2)ccc1F 67263193 JEKPHCMOZCRPQM-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB COc1cc(NC(=O)CCc2nc(-c3ccccn3)no2)cc(OC)c1OC 31529287 QPXFGUAUWJNMOT-UHFFFAOYSA-N 384.392 2.729 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OC 216352891 DFSPTFGILZIYOK-ZDUSSCGKSA-N 392.477 2.875 0 40 GFAB CCCC(=O)N1CCO[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389017 BFKAZSDYHUQQEG-QHCPKHFHSA-N 395.503 2.777 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2)C1CC1 70638433 DRYNLYLTKBKDDS-UHFFFAOYSA-N 385.474 2.695 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C)ccc1-n1cnnc1)CC2 565515483 ZUAKIGAXMLIFME-UHFFFAOYSA-N 378.432 2.791 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 223484316 OCZWWKDJHFWIHT-UHFFFAOYSA-N 392.502 2.870 0 40 GFAB C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccn(CCc2ccncc2)n1 569945437 OTRGUYXGXMKVPZ-MRXNPFEDSA-N 386.459 3.281 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(NC(=O)[C@H](C)NC)cc2)c1C(F)(F)F 569942241 YCLUSZSQJJEXSB-JTQLQIEISA-N 384.358 2.614 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c(OC)c1 85874995 SORMTSCRRRQNPP-KRWDZBQOSA-N 395.415 2.513 0 40 GFAB biogenic COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220094939 NSXAKCSDKOKGQJ-LBPRGKRZSA-N 398.431 2.617 0 40 GFAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225930092 CFFXNBGLVHZNED-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c1C(F)F 576963900 YWCUEBDSMZWQIW-TVQRCGJNSA-N 391.465 2.708 0 40 GFAB O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1ccc2[nH]c(CO)nc2c1 97272347 NXVCMKHZUYQDDU-GOSISDBHSA-N 378.476 2.665 0 40 GFAB O=C(NCC(=O)N1CCC[C@@H]1COc1ccc(F)cc1)c1ccc(F)c(F)c1 585080225 MSZWGQDKGALSPQ-OAHLLOKOSA-N 392.377 2.904 0 40 GFAB CCOc1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 243083563 ISDQTIXKOIDFGR-UHFFFAOYSA-N 380.510 2.858 0 40 GFAB COC(=O)c1ccccc1C(=O)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 253471487 CYKSTLZEUAYUID-ZWKOTPCHSA-N 377.400 2.880 0 40 GFAB CN(C(=O)CNC(=O)/C=C/c1cccc(Cl)c1)C1CCS(O)(O)CC1 606241726 SLBYQSRHGSGCJO-AATRIKPKSA-N 386.901 2.841 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H](N)CCO2)sc1Cl 652383467 VTNSEJPOGMDSES-JHJVBQTASA-N 378.947 2.759 0 40 GFAB C[C@@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546888 VQYZKSSGTGLXSA-VQIMIIECSA-N 393.578 2.545 0 40 GFAB COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C)ccc2c1[C@H](OC(C)=O)C[C@H](C)C2 96297324 PLYNBLLEIDIMDU-UPQSIWGGSA-N 390.476 2.870 0 40 GFAB biogenic,in-vitro CCOCCCNC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 13555937 BQMYUEJDBMJEFD-UHFFFAOYSA-N 392.521 2.654 0 40 GFAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 17115926 JZVLSVWXTAXVAB-UHFFFAOYSA-N 379.526 2.770 0 40 GFAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)(C)C)[nH]n1)C2 19083670 DVDZWQGSJBLRBH-KRWDZBQOSA-N 382.512 2.853 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@@H](C(=O)NCCN4CCCCC4)[C@@H]31)O2 19218075 RCBWNGNACAEJIX-UQHZHQPPSA-N 382.504 2.957 0 40 GFAB Cc1nc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)cc(=O)[nH]1 19240923 RMYUIKGRMBWFPX-QGZVFWFLSA-N 391.427 2.563 0 40 GFAB COc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)C3CC3)CCNC2=O)cc1 19558378 MWUKXYHNJFORMZ-LJQANCHMSA-N 378.472 2.889 0 40 GFAB Cc1sc2nc(C)n(C3CCN(CC(=O)NC(C)C)CC3)c(=O)c2c1C 19561237 YTGCKCPZAQGWAZ-UHFFFAOYSA-N 376.526 2.545 0 40 GFAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 19746200 PWUQNCYHIFBFHI-UHFFFAOYSA-N 388.443 2.877 0 40 GFAB O=C(CCC(F)(F)F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225821700 GGFRDDYSWNPARM-UHFFFAOYSA-N 383.370 2.789 0 40 GFAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1 12365746 OHVDDBGAFDACQH-SFHVURJKSA-N 375.469 2.941 0 40 GFAB CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 16733560 LGFDIZNZNZKABK-HNNXBMFYSA-N 380.466 2.701 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1OC 35884322 RAMYALOFFUOKFA-ZDUSSCGKSA-N 376.359 2.974 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)cc1 9984766 NRPNWGXPUFBUNV-UHFFFAOYSA-N 381.432 2.921 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCCC1=CCCCC1 3600905 JUZSJTKMNVUOPN-QFIPXVFZSA-N 381.476 2.777 0 40 GFAB O=C(CN1CCN(Cc2nc(-c3ccccc3)no2)CC1)Nc1ccc(F)cc1 20812020 FUGGWORJEDYNFL-UHFFFAOYSA-N 395.438 2.632 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@@H](O)COC[C@H]1C[C@H]3CC[C@H]1C3)CC2 245228715 CYWXNJFSKDHIKG-XAMWDVODSA-N 375.509 2.876 0 40 GFAB biogenic O=S(=O)(NC[C@]1(O)CCCc2occc21)c1ccc(C(F)(F)F)cc1 1565523070 FCMXVXAIGXRIAG-OAHLLOKOSA-N 375.368 2.801 0 40 GFAB CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1cccc(F)c1)C(F)(F)F 3103504 PGTVWQREPPERHC-MRXNPFEDSA-N 385.317 2.884 0 40 GFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)NC1CCCC1 4166512 KDFHPXUOYSQRNV-UHFFFAOYSA-N 386.456 2.560 0 40 GFAB CC1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)CC1 5087069 VGAWGRLAWOMCMP-UHFFFAOYSA-N 381.476 2.705 0 40 GFAB O=C1NC2(CCN(Cc3ccc(F)cc3)CC2)C(=O)N1CCOc1ccccc1 17190883 MFMFETUXKXTFBM-UHFFFAOYSA-N 397.450 2.791 0 40 GFAB Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(N)=O)c2n1 21654866 VJLPBBKHKLNDPP-UHFFFAOYSA-N 395.806 2.561 0 40 GFAB CCOC(=O)c1nc(CN2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)cs1 40154115 NKSIMQRWPOVGKX-MRXNPFEDSA-N 389.477 2.932 0 40 GFAB Cc1c(C(=O)Nc2nnc3ccccn23)cnn1-c1ccc(C(F)(F)F)cn1 30691541 GDRCMYSUZNOWHP-UHFFFAOYSA-N 387.325 2.890 0 40 GFAB Cc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c2cccnc12 31084357 OOUNRNMGVUCNSA-UHFFFAOYSA-N 383.473 2.887 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1coc(-c2ccccc2)n1 102127579 HETWYDIQDJUYQT-CALCHBBNSA-N 382.416 2.950 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccccc3c(=O)[nH]1)OCO2 32911023 VQBFAWOHOLNESH-UHFFFAOYSA-N 397.412 2.585 0 40 GFAB O=C(CNC(=O)c1ccccc1F)Nc1nc(CN2CCCCC2)cs1 22290070 MTGQAFOWBZSYEB-UHFFFAOYSA-N 376.457 2.637 0 40 GFAB COc1cccc2sc(NC(=O)CNC(=O)c3ccc(F)cc3F)nc12 22280197 SOPNTYRCXYAJSP-UHFFFAOYSA-N 377.372 2.952 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)OC)n2CC 6465822 QFTWZPAHLAJVDW-GFCCVEGCSA-N 399.538 2.740 0 40 GFAB CCOC(=O)N[C@H]1CCCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)C1 47399707 DSAGWVPGGAHFSS-GFUIURDCSA-N 380.828 2.819 0 40 GFAB COc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 7940018 SLUDEUVPVOIRJV-UHFFFAOYSA-N 396.321 2.992 0 40 GFAB O=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1cccs1 23732012 XIQYTMQZZRTVMT-UHFFFAOYSA-N 395.887 2.615 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@H]2CC[C@H]3N2Cc2cccnc2)cc1 100221741 QVTCOIFLFWALPE-YLJYHZDGSA-N 394.500 2.933 0 40 GFAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c1 51357031 LLTJWGPFEBHNPO-UHFFFAOYSA-N 377.780 2.931 0 40 GFAB Cc1ccc(OCc2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)cc1 24997348 KWAUMDGGSQHKOU-UHFFFAOYSA-N 388.489 2.939 0 40 GFAB O=C(NCc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 43484945 CRRMBWYPPPGJRM-UHFFFAOYSA-N 376.368 2.711 0 40 GFAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 57406475 PLMCSRJTYLKZBW-QGZVFWFLSA-N 377.488 2.989 0 40 GFAB COCCc1ccc(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)cc1 18830654 WCZQBIUDGWZHBJ-UHFFFAOYSA-N 394.460 2.997 0 40 GFAB Cc1cc(S(=O)(=O)N[C@H]2CCCc3c2cnn3C)ccc1Br 26850927 YQGBTDVEQGRKDW-AWEZNQCLSA-N 384.299 2.847 0 40 GFAB Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 57682931 PKEYKPDVRJGQNI-VIFPVBQESA-N 389.811 2.735 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCCO3)cc1 3269429 JTFKTSXCXGOYFD-GFCCVEGCSA-N 384.388 2.600 0 40 GFAB COc1ccc(Nc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3o2)cc1 3277998 YCCDHXXVWUIDPJ-UHFFFAOYSA-N 389.433 2.601 0 40 GFAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(NC(N)=O)cc1 58053046 LQIZWXPAQQDRAJ-YOEHRIQHSA-N 385.468 2.968 0 40 GFAB CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1=O 52411053 WVQCQHADOCCMJD-KRWDZBQOSA-N 379.460 2.812 0 40 GFAB Cc1nccn1CCCC(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 58356753 OLODBPJDEFOBJT-OKILXGFUSA-N 377.514 2.676 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3S2)N2CCOCC2)cc1 12748209 REOMZGBTVPHTBG-CTNGQTDRSA-N 398.528 2.902 0 40 GFAB Cc1cc(O)c(-c2ccnc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c23)c(=O)o1 102273538 HKIDXLUQTCHARQ-PHIMTYICSA-N 382.420 2.720 0 40 GFAB CCCOc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 36386907 ADZYJHZENGXXKL-UHFFFAOYSA-N 395.503 2.550 0 40 GFAB Cc1ccccc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11003688 SFUIHPFFLFCYLP-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB O=C(COc1ccc(Br)cc1CO)NCCc1ccc(F)cc1 3327844 RDNMFOARGRKOLV-UHFFFAOYSA-N 382.229 2.818 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccccc21 10009089 JJSAXTSXFIXUOS-INIZCTEOSA-N 380.853 2.896 0 40 GFAB COc1ccccc1N(CC(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 10110481 SQSBTQFYUHGNFZ-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)C(=O)N(C)C3=O)O[C@@H](C)C2 29129858 AMUCFLMAOLRNLM-NSHDSACASA-N 380.400 2.887 0 40 GFAB CC(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 3536607 SMLAEJDAAPOBLU-ZDUSSCGKSA-N 383.448 2.751 0 40 GFAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCc2[nH]c3ccccc3c2C1 48678369 AXUQIFLANMWPQF-UHFFFAOYSA-N 384.439 2.977 0 40 GFAB O=C(C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCC1 13099082 WMEDXIFEHYTNQZ-UHFFFAOYSA-N 398.956 2.838 0 40 GFAB Nc1nn(CC(=O)c2ccc(F)c(Cl)c2)c(=S)n1Nc1ccncc1 28535043 RGDVGWOCKVHCHW-UHFFFAOYSA-N 378.820 2.942 0 40 GFAB CCOC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1oc(CO)cc(=O)c1O 71282982 VQZGDQNYAFQSDR-INIZCTEOSA-N 376.405 2.710 0 40 GFAB C[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)NCc1ccc2c(c1)OCO2 5213912 RECWIRWLBUZDSH-LLVKDONJSA-N 384.417 2.657 0 40 GFAB CC(C)c1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4)[C@H]3C2=O)cc1 4483842 PYIZVOIBLJUBDA-RBUKOAKNSA-N 391.431 2.742 0 40 GFAB Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cs1 306124120 BGNPHXPMJPQMFZ-RBUKOAKNSA-N 392.484 2.975 0 40 GFAB Cc1ccc(C2=NN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H](c3ccco3)C2)cc1 4516762 HPSAAVCUXAKQLZ-MRXNPFEDSA-N 394.431 2.596 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 4591060 AFARKUAQLJHHKL-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2O)ccc1OC 14233731 YOPJQLYOPNMYKD-UHFFFAOYSA-N 378.450 2.684 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cccc(F)c1 67287230 KBKMLECJCADAPR-SFHVURJKSA-N 375.444 2.729 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)OCc1cc(=O)oc2cc(O)ccc12 7621588 BBZFRYGVEOWKIQ-UHFFFAOYSA-N 381.340 2.540 0 40 GFAB CCc1ccc(NC(=O)[C@H](Cc2cc(OC)ccc2OC)c2nn[nH]n2)cc1 9434901 KKZFAFAFGBIRRV-QGZVFWFLSA-N 381.436 2.744 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1 7831584 DOAWASSFXWPHMI-UHFFFAOYSA-N 383.473 2.689 0 40 GFAB CCc1cc(=O)[nH]c(-c2ccc(NC[C@H](O)COc3c(C)cccc3C)nc2)n1 68691991 FLVRNCCZDQXUDH-SFHVURJKSA-N 394.475 2.863 0 40 GFAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 7985523 AFHDBTWGWARQAJ-HNNXBMFYSA-N 384.379 2.896 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 8186968 CIKRTLFWXAVBLK-YOEHRIQHSA-N 378.428 2.953 0 40 GFAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Oc2ccccc2)cc1 8328189 ZSBCRYNJAARUMZ-LLVKDONJSA-N 382.449 2.948 0 40 GFAB O=C(CCc1ccsc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8761986 TXCQVIIAZGLJSG-UHFFFAOYSA-N 398.937 2.867 0 40 GFAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(CN2CCCC2=O)cc1 8707526 ZYSKTGSFGZEKMW-UHFFFAOYSA-N 379.460 2.898 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)c2ccc3c(c2)CCCC(=O)N3)cn1 84291089 SGYKVRUPGHLFNC-UHFFFAOYSA-N 375.432 2.781 0 40 GFAB COC(=O)[C@H](C)CN(Cc1ccccc1)c1cc(C(F)(F)F)nc2ncnn12 84638251 MHRUFEIXIRWUIW-GFCCVEGCSA-N 393.369 2.959 0 40 GFAB COc1ccc(C)cc1CCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O 9988113 LBOXVBRBMYPBIW-UHFFFAOYSA-N 377.444 2.830 0 40 GFAB C[C@H]1CN(CCCNc2cnn(-c3ccccc3)c(=O)c2Cl)C[C@H](C)O1 23619230 XBQYZTUJCLNQCC-GJZGRUSLSA-N 376.888 2.797 0 40 GFAB COCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 409096818 LEWRSNYZKGFMTP-UHFFFAOYSA-N 380.901 2.959 0 40 GFAB CC1(C)CN(C(=O)Nc2cc(-c3ccccc3F)on2)C[C@@]2(CCOC2)O1 555773804 OBDWFPBURSJVJS-LJQANCHMSA-N 375.400 3.283 0 40 GFAB CC(C)c1cccc(O[C@H](C(=O)NC[C@H](C)S(N)(=O)=O)c2ccccc2)c1 542919520 AKOATBZUXUKFEE-KXBFYZLASA-N 390.505 2.723 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccn(C)n3)c3cnn(C)c3n2)cc1 36613505 SPOMAXYBUWRRQK-CYBMUJFWSA-N 390.447 2.868 0 40 GFAB COCc1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 223697896 DUAYYUOQEFNZIK-CQSZACIVSA-N 392.477 2.635 0 40 GFAB CC(C)[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 225201687 PWSMQOKYHYVKGY-KXBFYZLASA-N 388.489 2.804 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3S(C)(=O)=O)CC2=O)c(F)c1 40073947 LKRVHULDFKJNKW-ZDUSSCGKSA-N 390.436 2.529 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCCO)c1ccccc1 223545182 UBCBUEGYVVXBPL-NRFANRHFSA-N 384.476 2.674 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222509069 VCIOQPHDFNIDRE-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB C[C@H](NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)C(C)(C)CN(C)C 96008080 SHMPDRZCLODHAL-NSHDSACASA-N 395.447 2.654 0 40 GFAB COCC(=O)N1CCC2(CC1)C[C@@H](C(=O)Nc1cccnc1)c1ccccc12 96241649 IMBKXUPYDALHLH-GOSISDBHSA-N 379.460 2.714 0 40 GFAB O=C(c1cnc(O)c(Cl)c1)N1CC[C@H](Oc2ncccc2Br)C1 238957160 YBVDPZFMWOBYCT-JTQLQIEISA-N 398.644 2.892 0 40 GFAB CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 95945858 ASCWWYVWVVHTSO-LURJTMIESA-N 377.087 2.805 0 40 GFAB COc1ccccc1O[C@@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2OC)C1 585082155 QNIQKJQNQBCZNM-CQSZACIVSA-N 396.447 2.669 0 40 GFAB CN(Cc1ccc(OCCOCCO)cc1)C[C@H](O)Cn1ccc2ccccc21 257294128 QSQQVXPOCYTQFO-NRFANRHFSA-N 398.503 2.522 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccc(OC)cc1 257257098 KOCNOEPMJBYNLR-CTNGQTDRSA-N 387.524 2.547 0 40 GFAB CNC(=O)c1cnn2c([C@@H]3CCCN(Cc4c[nH]c5ccccc45)C3)ccnc12 257199606 AABYJNPRDNFCBT-OAHLLOKOSA-N 388.475 2.950 0 40 GFAB O[C@H]1CCN(CCNCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 623836855 MQRAUBOCBULXIJ-QFIPXVFZSA-N 376.504 2.755 0 40 GFAB CC[C@]1(O)CCCN(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)C1 637287896 BRNKAERPNKJIHC-FPOVZHCZSA-N 376.497 2.829 0 40 GFAB O=C1NCCN(S(=O)(=O)c2ccc(C(F)F)o2)[C@@H]1CC1CCCCC1 1669808514 WASLOQKBILPQPN-GFCCVEGCSA-N 376.425 2.677 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H](n4cc(C5CC5)nn4)C3)cc2)co1 390826855 QGKWVILFVQHRQB-INIZCTEOSA-N 399.476 2.755 0 40 GFAB O=C(NCCn1cnc(C2CC2)cc1=O)c1ccccc1C(=O)c1ccccc1 575608705 WRPHIKIFHHSQRJ-UHFFFAOYSA-N 387.439 2.782 0 40 GFAB COc1ccc(C)cc1NC(=O)NCCNc1cc(N2CCCC2)nc(C)n1 36708093 YONABGXOHPBPQG-UHFFFAOYSA-N 384.484 2.936 0 40 GFAB C1=c2ccccc2=Cc2ccccc2C1=C1CCN(CCCCc2nn[nH]n2)CC1 1570003531 YYMYOSGKKUOYJW-UHFFFAOYSA-N 397.526 2.695 0 40 GFAB Cc1ccc(N2C[C@@H](NS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1C 5221948 FSXXFLNMDQXKIY-AWEZNQCLSA-N 380.416 2.665 0 40 GFAB COc1cc(-c2cnc(N3CCC[C@H](O)C3)nc2-c2cccs2)nc(OC)n1 12327920 UCPGYWYNHAUCQY-LBPRGKRZSA-N 399.476 2.640 0 40 GFAB Cc1cccnc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 12526832 LKDJUFARMNFIFD-QFIPXVFZSA-N 388.427 2.949 0 40 GFAB O=C1S/C(=C\c2cccs2)C(=O)N1CCC(=O)N1CCCC[C@H]1CCO 13573477 KIMKTXPNWXCVAL-FRRXJZEGSA-N 394.518 2.938 0 40 GFAB COC(=O)c1ccc(/C=C/C(=O)N2CCN(C)c3nc4ccccc4nc32)cc1 14901083 LGOHFZFPWOMNRX-FMIVXFBMSA-N 388.427 2.913 0 40 GFAB Cc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365936 GPBMMKKNJWTVGV-PKTZIBPZSA-N 394.515 2.952 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)c2ccccn2)C1 19399963 MNKQBGLIXCZWOC-ZDUSSCGKSA-N 378.407 2.888 0 40 GFAB CN(C)CC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693374 RDYKPHDLPAXWOU-OAHLLOKOSA-N 394.397 2.624 0 40 GFAB Cc1ccc(OCCn2cncc2-c2cnc(N3CCOCC3)nc2)c(C)c1 19719353 PMXWOLLIBGTKEG-UHFFFAOYSA-N 379.464 2.873 0 40 GFAB Cc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)ncc1C(=O)N1CCCCC1 19766315 SOAWLPPGQWCHCT-IBGZPJMESA-N 399.539 2.561 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 35898150 FNLIBPLMOWCQBZ-OHQAAIJDSA-N 388.895 2.897 0 40 GFAB CC(C)(C)Nc1c([C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)nc2ccccn12 12088141 XZXMYYRCYDJCJM-GJZGRUSLSA-N 383.496 2.529 0 40 GFAB CCN1C[C@@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12274935 CSPDHEYWKWFOLL-YJBOKZPZSA-N 393.491 2.537 0 40 GFAB CCN1CCN([C@H](c2ccc(OC)cc2)c2sc3nc(C)nn3c2O)CC1 22458916 OEWITFNFISJPDN-MRXNPFEDSA-N 387.509 2.540 0 40 GFAB O=C(CSc1ncnc2sccc12)OCc1cc(=O)n2ccsc2n1 5563140 PUANEITWHRAIBZ-UHFFFAOYSA-N 390.471 2.596 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)OCCOc3ccc(OC)cc3)ccc21 6535722 HAWRJQCEJUEOSJ-UHFFFAOYSA-N 382.416 2.969 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@@H]4[C@@H]3C2=O)c(C)c1 253487854 RYVFXXUJONFDDV-ANULTFPQSA-N 399.450 2.900 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(COc3ncnc(C)c3C)CC2)cc1 1565523220 ICQAOULYCIDFAM-UHFFFAOYSA-N 375.494 2.882 0 40 GFAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(OC)cc3)ccc2c1=O 4791212 YLSZQRXCVASEPB-UHFFFAOYSA-N 395.459 2.819 0 40 GFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)CC(C)(C)C)nn23)c1 11693892 MUENIHHZCRWDHH-UHFFFAOYSA-N 383.452 2.731 0 40 GFAB Cn1nc(-c2ccncc2)cc1CNS(=O)(=O)c1ccc2c(c1)CCCC2 1775966266 ZINKAPPSSBGOEK-UHFFFAOYSA-N 382.489 2.839 0 40 GFAB Cc1nc2sccn2c1-c1nnc(SCC(=O)NCc2ccco2)n1C 23141424 OXTWHBALNWRFEP-UHFFFAOYSA-N 388.478 2.501 0 40 GFAB COCCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 23127561 NCORQLAYVWOJPB-UHFFFAOYSA-N 381.325 2.630 0 40 GFAB O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1ccc(OC(F)(F)F)cc1 206819142 WTEJWRMWKDDEKK-SNVBAGLBSA-N 393.412 2.599 0 40 GFAB O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCC[C@@H](Oc2ccncc2)C1 575613532 RPUOHBLLHNDBJS-MRXNPFEDSA-N 392.415 2.884 0 40 GFAB NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 5269977 WWJUBDXXLDQTRL-UHFFFAOYSA-N 381.819 2.901 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1 23181818 OESLHSHWMJLNRQ-YJBOKZPZSA-N 380.535 2.797 0 40 GFAB COc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2)N2CCOCC2)cc1OC 30032481 OLQGFRJWHHHODR-OJLWIZQOSA-N 396.487 2.907 0 40 GFAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 40091280 FGVMDDPBPPABRV-FPOVZHCZSA-N 388.439 2.597 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccc3ccccc3c2)no1 40066901 JUZCGPOVTHKNKK-CQSZACIVSA-N 395.415 2.827 0 40 GFAB COc1cc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)c(OC)cc1Cl 31552842 PAHURJUGNQRZTL-UHFFFAOYSA-N 375.816 2.593 0 40 GFAB O=C(/C=C/c1cccc(Cl)c1)N1CCN(CC(=O)N2CCCCCC2)CC1 32820783 OSJFOOXHGJZRED-CMDGGOBGSA-N 389.927 2.900 0 40 GFAB COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 32902911 RSVZQKGMYIFGBW-NRFANRHFSA-N 378.472 2.814 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 12363742 XMVTWPKWFSGFIT-CALCHBBNSA-N 375.488 2.759 0 40 GFAB CCn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1cccs1 3516814 FASJULSAPAOIFF-UHFFFAOYSA-N 379.511 2.887 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1Br 54017215 SBFAIOFWPRHNSI-CYBMUJFWSA-N 391.269 2.647 0 40 GFAB Cc1cc(C)c(CCNC(=O)c2cccc(-n3nc(O)ccc3=O)c2)c(C)c1 61407976 VASPMYVZMNABCZ-UHFFFAOYSA-N 377.444 2.836 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccc(COC(C)=O)cc2)cc(C(=O)OC)c1 6905650 RYTYZYMWLABIQN-UHFFFAOYSA-N 385.372 2.575 0 40 GFAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C 8475853 GMHNFYMSSGERCE-UHFFFAOYSA-N 396.896 2.965 0 40 GFAB CC1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 55135309 CKHCCISSJGAQGY-GOSISDBHSA-N 377.554 2.520 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Br)c1 3217159 RGYZMIFYAPEBMJ-UHFFFAOYSA-N 378.178 2.973 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c4c(cccc24)CC3)cc1 12607215 NWXKYKBRKJWVLX-UHFFFAOYSA-N 380.469 2.558 0 40 GFAB COc1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 21533540 PEILRPRGZJYHOH-UHFFFAOYSA-N 380.370 2.857 0 40 GFAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C[C@@H](O)c3ccccc3)CC(=O)N21 2105222 PNJBYUKBHJXKKR-PNHOKKKMSA-N 389.455 2.558 0 40 GFAB biogenic COc1ccc(NC[C@@H](O)Cn2c3c(c4ccccc42)CCN(C)C3=O)cc1 2140669 WNMVDAQLDRPFPB-MRXNPFEDSA-N 379.460 2.751 0 40 GFAB biogenic O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(Br)cc1F 57511204 ATJDYLYSGRHEFE-UHFFFAOYSA-N 380.217 2.662 0 40 GFAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@H]3C=C[C@H]2C3)c(OC)c1 100268181 OOWFXNSFZDCAJZ-FEBSWUBLSA-N 396.443 2.990 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3F)n2N)cc1 3326841 HGPVMHBKJXPONV-UHFFFAOYSA-N 391.403 2.677 0 40 GFAB Cc1ccc2cc(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)c(C)nc2c1 48367700 SGKZRMMIIHCOJW-UHFFFAOYSA-N 389.503 2.928 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N(C)C)cc1 2645136 AYXKIYMOWIDONS-QGZVFWFLSA-N 388.464 2.754 0 40 GFAB Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c2cccnc12 29993159 SBYUWDLUWGKDSJ-SFHVURJKSA-N 391.406 2.741 0 40 GFAB C[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(F)cc1 113967322 WYDVGRUCRIDWDP-CHWSQXEVSA-N 382.432 2.997 0 40 GFAB O=C(CCC1CCCC1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 12950320 LAMQFSQHKLEWSS-UHFFFAOYSA-N 381.476 2.783 0 40 GFAB COC(=O)c1cc(NC(=O)CCCNC(=O)c2ccsc2)c(F)cc1F 12932365 POOYYIFKSMSNCH-UHFFFAOYSA-N 382.388 2.962 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)n1cccn1 13003145 BMQRKVHYBPYYGD-HNNXBMFYSA-N 376.482 2.566 0 40 GFAB O=C(c1cnccn1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306139987 UGCWMHHOMKYYGL-HXUWFJFHSA-N 396.454 2.904 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 95464365 LGJWZNWEDXJKHP-YLJYHZDGSA-N 386.448 2.749 0 40 GFAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2csc(N3CCNC3=O)n2)n1 65577562 WWBXDXAXJZNGSJ-ZDUSSCGKSA-N 391.522 2.734 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 4514292 HFYSYPISWNFOFK-NRFANRHFSA-N 381.407 2.572 0 40 GFAB Cc1ccc(CNC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)cc1 14239465 CNPKHRCNQAMTKI-SFHVURJKSA-N 399.516 2.765 0 40 GFAB COc1cc(CN2C(=O)NC3(CCCC3)C2=O)c(OC)cc1Br 14261414 RHISYFQKHFATRW-UHFFFAOYSA-N 383.242 2.831 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cn2cccn2)cc1 14219727 GQOQZTYREWBWMP-UHFFFAOYSA-N 395.415 2.988 0 40 GFAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306136302 PPHRVOQDFNNJEP-ROUUACIJSA-N 393.516 2.574 0 40 GFAB C[C@H](NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O)c1ccccc1 67317105 MJYVRYWZYWPICK-AWEZNQCLSA-N 397.504 2.721 0 40 GFAB COc1cccc(-c2nnn(Cc3cc4c(cc3Br)OCO4)n2)c1 7216791 SAMJLSXZSRLVMT-UHFFFAOYSA-N 389.209 2.888 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc(OC)c(OC)c1OC 15607393 JZMICDOIUWRWDU-UHFFFAOYSA-N 388.420 2.861 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3=CCCCC3)C3CC3)C2=O)cc1 7426177 XOYJTGCVXGYGRH-JOCHJYFZSA-N 397.475 2.911 0 40 GFAB CC(C)c1nnc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)s1 16046720 SXKILEJVDPTWSC-ZMZPIMSZSA-N 393.513 2.737 0 40 GFAB O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7777731 ZWTMUGZBWRTWPL-OAHLLOKOSA-N 383.423 2.654 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 409202105 ZMUFXFGHAUGNEE-UHFFFAOYSA-N 380.441 2.920 0 40 GFAB Cc1cccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)c1 408630401 TZHLBSPCYABCEA-UHFFFAOYSA-N 376.522 2.846 0 40 GFAB Cn1c(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc(Cl)c1Cl 89741060 ZTMHOSVQEZMKJI-ZIAGYGMSSA-N 382.291 2.697 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21 5035632 DFSFHVXNVXSAPX-UHFFFAOYSA-N 397.822 2.653 0 40 GFAB aggregator COC(=O)C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 509654415 UTULJHGCJKAOHV-IINYFYTJSA-N 387.263 2.666 0 40 GFAB Cc1ccccc1CNCc1nnn2c1C(=O)N(CCc1ccccc1)CC2 306138705 SETYPKXQCAMJMD-UHFFFAOYSA-N 375.476 2.575 0 40 GFAB O=C(CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)N1CCOCC1 72348734 DELSHNVQXFCNBJ-UHFFFAOYSA-N 397.494 2.850 0 40 GFAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1c[nH]c2ccc(F)cc12 71285011 NUDWDCCJQACSBY-UHFFFAOYSA-N 390.418 2.890 0 40 GFAB COc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(Cl)cc2)CC1 31666908 ZPMJSHVHTXTXRH-SFHVURJKSA-N 376.884 2.911 0 40 GFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 47080965 FNOZGXYUTIYOEL-JKSUJKDBSA-N 382.526 2.791 0 40 GFAB COc1ccc(OC)c(NC(=S)N2CCN(C3CCSCC3)CC2)c1 225216032 YERMPDLRFSOPRE-UHFFFAOYSA-N 381.567 2.914 0 40 GFAB CC(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 42399147 XXAARFAIWUUXAJ-UHFFFAOYSA-N 375.446 2.870 0 40 GFAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NC1CC1 225837372 SHOFWDVJEXMBDQ-UHFFFAOYSA-N 383.189 2.552 0 40 GFAB COc1ccccc1OCCNS(=O)(=O)c1ccc(Br)s1 47030587 SBCLNYCWQKCDAG-UHFFFAOYSA-N 392.296 2.877 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC)c2ccc(OC)c(C)c2)s1 223332867 GKQDYQYTOITGDY-GFCCVEGCSA-N 398.510 2.633 0 40 GFAB CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(C)c2)c1 224657006 AEXPQWHHVJMFED-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220138720 MBESZQWNPAJYMG-AWEZNQCLSA-N 390.461 2.575 0 40 GFAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(Cl)c(Cl)c1 224155173 FDMNQAUNKOPCIX-UHFFFAOYSA-N 387.292 2.862 0 40 GFAB C[C@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222923227 ZOYJSNYETKODMU-CQSZACIVSA-N 392.858 2.547 0 40 GFAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2cccs2)c1C 225141251 AHZRSWGYSFFMRL-UHFFFAOYSA-N 397.474 2.602 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223588278 BTQPCWLSDKOGPD-RBUKOAKNSA-N 380.473 2.543 0 40 GFAB COCCNC(=O)c1ccc2nnc3nc(C)n(Cc4ccccc4)c3c2c1 96146593 LCOOMBKYWWHANO-UHFFFAOYSA-N 375.432 2.712 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)CSCc4ccccc4)nnc3c2)n1 238828479 FIEDKOFRJFBAST-UHFFFAOYSA-N 394.460 2.637 0 40 GFAB O=C(CCNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117860 NYZWQTJFCWFDOY-OAHLLOKOSA-N 397.866 2.925 0 40 GFAB CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@H]1c1ccccc1)c1ccc(F)cc1 248092503 CNFHZOOCOZCMJO-SFTDATJTSA-N 383.467 2.908 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(CO)C(=O)O)cc1 242437329 BZGABXHDEYOCMW-NUJGCVRESA-N 380.849 2.651 0 40 GFAB CN1CCN(c2ccnc(-c3noc(-c4cncc(C(F)(F)F)c4)n3)c2)CC1 585084253 RSZGOZFZUGXXEO-UHFFFAOYSA-N 390.369 2.964 0 40 GFAB Cc1cc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccc(C)nc4O)C3)n2)[nH]n1 257267037 MFRYEJUPLINICB-AWEZNQCLSA-N 393.451 2.599 0 40 GFAB COc1ccc(-c2cnn(CC(=O)Nc3cc(Cl)ccc3C)c(=O)n2)cc1 44804178 UJTMBFAAMFKNEK-UHFFFAOYSA-N 384.823 2.914 0 40 GFAB Cc1ccc([C@H](C)C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 72325685 NHMOMEQYZYCLTH-INIZCTEOSA-N 399.516 2.821 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 5089477 FZOJZRJJFURQIS-UHFFFAOYSA-N 395.415 2.554 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2N)cc1 5257256 RFSBFZWPWCPSLC-UHFFFAOYSA-N 397.460 2.601 0 40 GFAB CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H](C(=O)O)[C@]2(Cl)C(=O)O 5712186 CBODUWBNIBXAQZ-YAJHFMINSA-N 386.787 2.986 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccco1)N1CCCCC1 13009117 GZLVKMPELYRJGO-GOSISDBHSA-N 399.491 2.752 0 40 GFAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCOCC1 15992680 UZUHPZZZOPDUKV-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCC1=CCCCC1 16291307 MQRRJSVGBQSYIZ-UHFFFAOYSA-N 380.510 2.631 0 40 GFAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(F)cc2)c1=O 17316995 ALBDJDQVLUCYLB-UHFFFAOYSA-N 383.427 2.694 0 40 GFAB CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19498745 OSRGAFXFLDWZES-OAHLLOKOSA-N 397.523 2.852 0 40 GFAB Cc1sc2nc(C)n(C3CCN(CC(=O)NC(C)(C)C)CC3)c(=O)c2c1C 19561234 XHAXFQXIRUROSN-UHFFFAOYSA-N 390.553 2.935 0 40 GFAB COc1cccc(CCC(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)c1 19564565 QVUXCHHCVUREDV-UHFFFAOYSA-N 389.455 2.935 0 40 GFAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3cccnc3)C2)n[nH]1 19707709 LXRCPGUVUFCQGI-GOSISDBHSA-N 391.475 2.733 0 40 GFAB COCCN1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 19766357 ZLHHXOZHHCXDQS-KRWDZBQOSA-N 386.471 2.680 0 40 GFAB CCOC(=O)[C@@](NCc1cccc(C(F)(F)F)c1)(NC(C)=O)C(F)(F)F 19939241 XVTORVSTQPSEDM-CYBMUJFWSA-N 386.292 2.753 0 40 GFAB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 6236810 YBANRKSJVCPGFX-DHZHZOJOSA-N 390.892 2.886 0 40 GFAB O=C(CCn1ncc(=O)c2ccccc21)Nc1ccccc1N1CCCC1=O 9748703 IKLNJKLTHDEKHY-UHFFFAOYSA-N 376.416 2.552 0 40 GFAB COCc1nsc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)n1 1888843199 ZXNKYTFNIVEGKU-QWRGUYRKSA-N 385.415 2.671 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)c4cncc(F)c4)C[C@@H]3C2)nc2ccccc21 1888913884 INPZCIFAUCWWHV-HZPDHXFCSA-N 379.439 2.799 0 40 GFAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2nn(C)c4ccccc24)C3)nc1 1888922100 AOGRUJLABMMZIL-KSFYIVLOSA-N 391.475 2.993 0 40 GFAB CCC(F)(F)C(=O)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037989048 SPWATNJRLYURRV-SFHVURJKSA-N 384.398 2.986 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037989199 YXJQTWKTONJJEN-IBGZPJMESA-N 396.409 2.986 0 40 GFAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)c2cnc(C)nc2C)C3)cc1 2056224318 WTXRFHNCGVTCCJ-INIZCTEOSA-N 384.505 2.914 0 40 GFAB COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](c3nc4ccccc4o3)C1)CCC2 253403005 PGQAVLJKZYMENZ-CQSZACIVSA-N 393.443 2.964 0 40 GFAB O=C(c1cnc(Cl)cc1Cl)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565556464 UJTJZJIAMURUQN-XJKSGUPXSA-N 396.274 2.954 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O 5329122 PEDGYQWLPYDWDQ-UHFFFAOYSA-N 398.481 2.647 0 40 GFAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)Cc1ccc(C(F)(F)F)cc1)CC2 575415703 SQMWZJYKABAGTH-CQSZACIVSA-N 391.411 2.810 0 40 GFAB COc1cccc(OCC(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)c1 575612781 NCFSSIGROLCZIU-INIZCTEOSA-N 377.828 2.587 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 585163239 BBOIWCJMKDLFCX-INIZCTEOSA-N 389.459 2.541 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)c3cc4ccccc4oc3=O)n2)cn1 225815836 NKCWUIMURLPLRI-UHFFFAOYSA-N 392.371 2.567 0 40 GFAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)Nc1ccccc1 12230911 CWTZXJXEZADUGB-UHFFFAOYSA-N 382.391 2.697 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)cc1 13702099 WKMMHINHGHJHDB-UHFFFAOYSA-N 388.449 2.589 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103372744 DJZZFRQMSFYHDE-UZJZNVELSA-N 395.503 2.926 0 40 GFAB C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1nc2ccccc2s1 40121890 XWBHZHIJEDCAQG-LBPRGKRZSA-N 385.474 2.948 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)n1 40121579 LATWSMOKFYTGJN-GUYCJALGSA-N 376.526 2.768 0 40 GFAB C[C@]1(c2cccc(NC(=O)c3cc(-c4ccccc4)on3)c2)NC(=O)NC1=O 40118490 AHGKOVJFIQWTSN-HXUWFJFHSA-N 376.372 2.649 0 40 GFAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)c1nnnn1-c1ccccc1 40127352 GALHWMMOAMMIBW-NSHDSACASA-N 382.428 2.627 0 40 GFAB CCc1nnc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)s1 30568663 KBMQBNFMTUHSIH-UHFFFAOYSA-N 393.519 2.981 0 40 GFAB Cc1cc2ncn(C[C@@H](O)CN3C(=O)NC4(CCCCCC4)C3=O)c2cc1C 51256872 GUXPGDIIAJRNEB-MRXNPFEDSA-N 384.480 2.659 0 40 GFAB CCCCCCn1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 20757076 AOEORPGOXPBZCE-IBGZPJMESA-N 396.491 2.881 0 40 GFAB biogenic COc1ccccc1C(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 20745940 RJVUAHZRFQFVHF-UHFFFAOYSA-N 377.444 2.785 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 103094889 VMGCHNSHKAQNLW-QGZVFWFLSA-N 378.538 2.818 0 40 GFAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 22029203 BSNAIPHJCHSUJN-QPJJXVBHSA-N 379.460 2.685 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 904510 WHQNEWUFLCMMRI-UHFFFAOYSA-N 396.472 2.543 0 40 GFAB Cc1ccc2cc(CN(CCO)C(=S)NCc3ccco3)c(=O)[nH]c2c1C 931879 XDFIMCYGOPDMEY-UHFFFAOYSA-N 385.489 2.607 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1 2382834 SWCGZSQXGNPQSA-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1 3488753 IQQSXEYFYAWLCE-UHFFFAOYSA-N 381.215 2.817 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccccc3)CS[C@H]21 4081858 YHICUNAHHKRDAR-VBKZILBWSA-N 384.457 2.590 0 40 GFAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)c1C 4340290 YXFRNRJRXUMCPH-ZDUSSCGKSA-N 386.448 2.885 0 40 GFAB COc1cccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 4560581 DITDSSPDVBJNDR-DLBZAZTESA-N 392.864 2.961 0 40 GFAB CCCCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3OCC)c2n1 5271263 IODFGZIUYQGMHU-UHFFFAOYSA-N 383.452 2.729 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)NC2CCCCC2)c(C)c1 5414346 OVMGHRMACLRAOZ-UHFFFAOYSA-N 388.497 2.530 0 40 GFAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@H](C)NC(=O)c1ccccc1)CC2 5451970 ILXRGXDVXWACQJ-LSDHHAIUSA-N 382.460 2.968 0 40 GFAB biogenic CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)n4ccsc4n3)C2=O)cc1 5798095 CGEODIRMOPNUKK-FQEVSTJZSA-N 396.472 2.847 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 6415530 OHAGONSNIXDMAN-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB CCOC(=O)Cn1cc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c2ccccc21 6630321 REIHEAQDEXAIDY-NVNXTCNLSA-N 386.433 2.849 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 6931632 WTCJERIXOOZIBQ-UHFFFAOYSA-N 377.916 2.994 0 40 GFAB CCNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1OC 6994218 KMKCJGYCVPUVFJ-AWEZNQCLSA-N 389.525 2.883 0 40 GFAB CC(=O)Nc1ccc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 7983566 AGKMQYQFBXJGHW-UHFFFAOYSA-N 377.491 2.976 0 40 GFAB Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 8231326 MCWXFTIQTWBKIA-UHFFFAOYSA-N 393.465 2.565 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccccc1Br 8783382 LDBRVLWCBWJXGS-LBPRGKRZSA-N 392.205 2.578 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9036629 KSYIXOZQGLKOIB-CQSZACIVSA-N 378.881 2.980 0 40 GFAB O=C(O)C1CCN(C(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)CC1 9341666 LTEUXNCXFMBRGV-UHFFFAOYSA-N 397.475 2.526 0 40 GFAB O=C(c1cccc(F)c1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 11612470 FJWNSHCAIACLRB-UHFFFAOYSA-N 381.407 2.553 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 11866802 MIKWOQPDLWFLKK-QGHHPUGFSA-N 375.421 2.713 0 40 GFAB biogenic CC1(C)C[C@@H](CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)C(=O)O1 12220930 CRGVNDXKPDZGSB-OAHLLOKOSA-N 384.436 2.569 0 40 GFAB CCCn1nc(C)c(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)c1C 12225402 SZNFXDYQYOMUDH-UHFFFAOYSA-N 396.491 2.707 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1ccc(CN2CCOCC2)cn1 12528406 PJUKGTYJZHCTJF-UHFFFAOYSA-N 387.505 2.962 0 40 GFAB C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2NC1=O 12541839 RWVHLYVGCPXYPF-VIFPVBQESA-N 397.250 2.969 0 40 GFAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cn2ccc(C)cc2n1 12573449 BCSZZAGNLRADDI-UHFFFAOYSA-N 394.475 2.987 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 12758828 VVAAQBWYKZMNOL-UHFFFAOYSA-N 377.853 2.984 0 40 GFAB O=c1c2ccccc2cnn1C[C@H](O)COc1ccc(Br)cc1 12761362 KMRZYTJFRUBGQI-AWEZNQCLSA-N 375.222 2.599 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1nnc(-c2ccccc2)s1 12822807 ALNQXMVPCJMEEP-UHFFFAOYSA-N 385.474 2.970 0 40 GFAB COc1ccc(Cl)cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12894442 UKQMJUQMBIXWDW-UHFFFAOYSA-N 383.853 2.956 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1 13173314 DFOFIOYRFORAAK-HNNXBMFYSA-N 381.837 2.689 0 40 GFAB CC(C)c1nc2oc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 13540879 VAFZXGPDYAKHPW-BETUJISGSA-N 384.480 2.951 0 40 GFAB C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 14170237 ARAKLJZMCOZYLZ-CQSZACIVSA-N 380.444 2.901 0 40 GFAB CON(C)S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 14187445 SONFQIPTBGILRN-UHFFFAOYSA-N 386.473 2.798 0 40 GFAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 14654385 RJDVIDUSRVQKCN-LBPRGKRZSA-N 382.869 2.996 0 40 GFAB CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(OC)cc(OC)c2)C1=O 15314823 VDGVVZXMWMWISI-HXUWFJFHSA-N 391.468 2.923 0 40 GFAB Cc1ccc(-n2nnnc2-c2cnc(-c3cnccn3)nc2C(F)(F)F)cc1 16311534 HMEZLYOSKFZVRA-UHFFFAOYSA-N 384.325 2.904 0 40 GFAB O=C(O)c1cc(O)nc2ccc(Oc3ccc4[nH]c(=O)cc(C(=O)O)c4c3)cc12 16431362 HINZKEWYDBCSQI-UHFFFAOYSA-N 392.323 2.971 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3ccccn3)C2)n1C 19289276 CDJQNYZIDKVLAZ-HUUCEWRRSA-N 386.525 2.512 0 40 GFAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19448259 BTSBVYBFTTXSNE-LJQANCHMSA-N 398.482 2.582 0 40 GFAB Cc1cccn2cc(C(=O)Nc3cnn(CC(=O)Nc4ccc(F)cc4)c3)nc12 19746090 YZYYANAWMAMHKL-UHFFFAOYSA-N 392.394 2.869 0 40 GFAB CCCCCCn1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 20757081 AOEORPGOXPBZCE-LJQANCHMSA-N 396.491 2.881 0 40 GFAB biogenic O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)nc1 21588502 UAJXGNMBKBDQLB-UHFFFAOYSA-N 381.354 2.955 0 40 GFAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)nc1 21592006 UBFZXDZEWIIJNL-INIZCTEOSA-N 383.448 2.719 0 40 GFAB CCc1cc2c(=O)n(NC(=O)CCc3nc(-c4ccccc4)no3)cnc2s1 21896747 KVUPFTCBEZKSGO-UHFFFAOYSA-N 395.444 2.773 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCCCN(C)c1ccccc1 21905124 KLCQOFAEMVYEDH-QGZVFWFLSA-N 389.521 2.774 0 40 GFAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3ccc4ncsc4c3)nnc12 21981073 SVKOCVBDOPOWPD-UHFFFAOYSA-N 391.412 2.548 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccn(C)c1=O 23136251 PBKIYDLPJUSSNO-UHFFFAOYSA-N 387.440 2.534 0 40 GFAB COc1cc(NC(=O)c2ccco2)c(C(=O)OC[C@H]2CCCO2)cc1OC 24536315 IENAKFOOYWMEOG-GFCCVEGCSA-N 375.377 2.885 0 40 GFAB COc1ccc([C@@H](CNC(=O)C2CCCCC2)N2CCOCC2)cc1OC 24842814 PBFLZNOEFRBVGS-GOSISDBHSA-N 376.497 2.774 0 40 GFAB Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(O)cc3)[C@@H]2C(=O)C(F)(F)F)cc1 27753962 PHHDHGHWGZWMBX-IIDMSEBBSA-N 394.349 2.647 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 28209473 MPYZHQAFXNAHLZ-GOSISDBHSA-N 386.473 2.930 0 40 GFAB COC(=O)c1ccc(CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 30211274 AEUNURDLWAIBPM-UHFFFAOYSA-N 393.443 2.691 0 40 GFAB COc1ccc(C)cc1CN1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 32236135 OEAXMYQYVLSNGK-UHFFFAOYSA-N 393.491 2.552 0 40 GFAB COc1cc2c(cc1/C=C/C(=O)O[C@H](C)C(=O)NCC(F)(F)F)O[C@@H](C)C2 32672191 JROLNTHAUBOUDJ-BXXZLRJFSA-N 387.354 2.642 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 32900763 VQSBHDDAOSHKLQ-NRFANRHFSA-N 394.452 2.991 0 40 GFAB O=C(NCCN1CCOCC1)c1cc2occc2n1Cc1ccc(Cl)cc1 36358575 BPYRAUAHXBTLLV-UHFFFAOYSA-N 387.867 2.998 0 40 GFAB CN(Cc1ccco1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 36734822 HPOILZRNCGGKIV-UHFFFAOYSA-N 382.507 2.717 0 40 GFAB COc1ccc(CCC(=O)NCCCNc2ncccn2)cc1Br 40135618 ZXLCFODCFNWMOU-UHFFFAOYSA-N 393.285 2.799 0 40 GFAB O=C(CSc1nncn1-c1cccc(Cl)c1)NCCCOCC1CC1 45899640 YCUIMUMJOZNFFB-UHFFFAOYSA-N 380.901 2.946 0 40 GFAB COCCOc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1C 47593771 XHBKVGCMTOOCDL-UHFFFAOYSA-N 376.478 2.769 0 40 GFAB Cc1ccnc(OCC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)n1 49027001 PWFQSCFUVOKAPD-UHFFFAOYSA-N 393.451 2.711 0 40 GFAB CN(C)C(=O)C1CCN(C(=O)NCC2(N3CCCCC3)CCCCC2)CC1 53523159 YBCPCIMMDSGFDJ-UHFFFAOYSA-N 378.561 2.685 0 40 GFAB CC(C)(C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 58014525 GJDGFFGTNVKDET-UHFFFAOYSA-N 378.469 2.967 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(Cn2cncn2)cc1 58181100 NHBQDZUWKDJYQN-UHFFFAOYSA-N 376.395 2.581 0 40 GFAB COc1ccc(NC(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 58245574 KNUZCOZTOLUVJQ-UHFFFAOYSA-N 379.420 2.561 0 40 GFAB CN1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3o2)CC1 58403659 VIZMFLJSJWLUTF-UHFFFAOYSA-N 394.313 2.953 0 40 GFAB COC(=O)C1(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CCCCC1 70033559 SAQCCKRMPSCILX-HNNXBMFYSA-N 394.415 2.584 0 40 GFAB CNC(=O)NC(=O)CSc1ncnc2scc(-c3cccc(OC)c3)c12 71415894 KKMBKKZGCIEAID-UHFFFAOYSA-N 388.474 2.915 0 40 GFAB COCCCNS(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)oc1C 72402077 WFVWURRZNZAEBH-UHFFFAOYSA-N 377.422 2.620 0 40 GFAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1 89568903 BCGPBFCHRMQZSI-LLVKDONJSA-N 393.392 2.600 0 40 GFAB O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 89781055 ZLNHYEVQQZUZKE-MOPGFXCFSA-N 392.521 2.549 0 40 GFAB CCc1ccc(C(=O)N2CCN(Cc3cnnn3-c3ccccc3)CC2)cc1 90590467 ZGXSVWZSIMGWQP-UHFFFAOYSA-N 375.476 2.788 0 40 GFAB O=C(Nc1cccc(Br)c1)[C@H]1COCC(=O)N1Cc1cccs1 90608484 CEGYRXKGFQMHRR-CQSZACIVSA-N 395.278 2.877 0 40 GFAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 95479899 BSALXMXOAUQZIA-NVXWUHKLSA-N 380.897 2.619 0 40 GFAB CC(C)c1nnc2n1C[C@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC2 95957998 WTBZUIVGEGANOP-LJQANCHMSA-N 381.524 2.745 0 40 GFAB Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)N5CCCCO5)n4)n3c2)cn1 96038117 HDOFGVDWAFLYCN-UHFFFAOYSA-N 376.420 2.693 0 40 GFAB CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CCN(c1ccncn1)CC2 96260540 FKWYTKKUHCWTED-UHFFFAOYSA-N 394.523 2.781 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 102869733 CVYVJWSAFJXQBI-RDJZCZTQSA-N 398.802 2.809 0 40 GFAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 104324419 UMEZKDIOKHSWNQ-NRFANRHFSA-N 392.434 2.601 0 40 GFAB CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)N1C[C@@H](C)O[C@H](C)C1 106144938 QSADMAILZQLRPJ-CBGDNZLLSA-N 387.524 2.563 0 40 GFAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 107176835 DVIXXRORQNKBTF-XDNAFOTISA-N 378.815 2.696 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccco1 222770159 VHRFDTRHZVOOOS-GOSISDBHSA-N 394.493 2.582 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 222822263 YYARKCNWKBSISO-CQSZACIVSA-N 390.867 2.891 0 40 GFAB COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223189457 XCKYRHZRPVJUHH-OAQYLSRUSA-N 386.467 2.938 0 40 GFAB CSc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)C(C)C 223261671 JYOFJFBTPXRLKU-UHFFFAOYSA-N 379.507 2.877 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 224750246 OVWXAVLMAWQHQB-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)cc2)ccc1Cl 225045483 KAMAVDSKLNBRAJ-UHFFFAOYSA-N 383.853 2.792 0 40 GFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)n[nH]1 225563671 XULHLVDAVAZWLE-UHFFFAOYSA-N 398.360 2.861 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccncc3)C[C@@H]21 306142261 WUTPUHDZZFYURA-CTNGQTDRSA-N 377.469 2.899 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409124041 JWLIXSRJJRMVRF-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 575607669 VRAVOYIEBOBMME-GFCCVEGCSA-N 386.832 2.725 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585183589 FLZNCXPRNXREOT-FQEVSTJZSA-N 379.504 2.552 0 40 GFAB CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(OC)cc21)n1cnnn1 604419670 QSCDQLGVGFOIAN-WILYLXEWSA-N 382.468 2.944 0 40 GFAB O=C(c1cn2cc(Cl)ccc2n1)N1CCc2ncnc(NC3CC3)c2CC1 1565553999 OAEPKGPDGKLJKM-UHFFFAOYSA-N 382.855 2.593 0 40 GFAB CCOc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 1615153066 AUQOXYRVLWMWFL-UHFFFAOYSA-N 395.459 2.519 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3nccn4nccc34)CC2)nc(C2CC2)n1 1888879619 KWWYFZLKGMWSGG-UHFFFAOYSA-N 389.385 2.742 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2ccnn2C)c(C(=O)OC(C)C)c1C 649225 IWANCGGEVIBVRY-UHFFFAOYSA-N 379.438 2.784 0 40 GFAB CS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 801763 ZCIQVDFLODSCKC-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB Cc1ccc(Cn2c(Sc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 1268517 QAYCFKJYMWYGAL-UHFFFAOYSA-N 378.457 2.931 0 40 GFAB CN(C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1387424 PWIRLBCGBCDKJH-UHFFFAOYSA-N 386.395 2.989 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 2183871 SPSFYQUARHHPLU-MHWRWJLKSA-N 395.415 2.544 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 2656802 HVTMXGXFEFMTDI-KRWDZBQOSA-N 391.807 2.979 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCc3ccccc32)c1 3476541 YXWGTIWLUNKYCT-UHFFFAOYSA-N 399.516 2.740 0 40 GFAB COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@@H]3C[C@@H]21 3641871 WMMZYEBFJWWUJX-PRBYLRKDSA-N 384.476 2.656 0 40 GFAB COc1ccc(CN(C(=O)c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182916 UNEZMTIBOJNGFB-QGZVFWFLSA-N 389.473 2.533 0 40 GFAB CCC[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4998879 NNYNYQMYUBLPOA-IEBWSBKVSA-N 399.535 2.891 0 40 GFAB O=C([C@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCOCC1 5277822 NUFGYRCSXZSCFU-GOSISDBHSA-N 380.473 2.960 0 40 GFAB Cn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1-c1ccco1 5702390 YVUMERNKKYBVJA-UHFFFAOYSA-N 380.437 2.878 0 40 GFAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 5878358 HNEUXXCCXLJKJJ-NSHDSACASA-N 394.518 2.781 0 40 GFAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(F)cc1 6237765 DVMNTRQQCSWHIH-INIZCTEOSA-N 396.447 2.590 0 40 GFAB COCCN(Cc1ccccc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 6652002 VGULYIKCOSRBIQ-UHFFFAOYSA-N 377.444 2.580 0 40 GFAB Cc1cc(=O)c(C(=O)NCCCn2cnc3ccccc32)nn1-c1ccccc1 7256704 VDFYFVHPXKKOEK-UHFFFAOYSA-N 387.443 2.711 0 40 GFAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)ccc2c1 7478822 ZTBNXPRVIHXSGD-JOCHJYFZSA-N 395.459 2.527 0 40 GFAB COc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1S(N)(=O)=O 7735617 GIBITTNQOFYZCT-UHFFFAOYSA-N 392.502 2.562 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCO2)c1 7989340 BAHJHGDRWLESCA-SFHVURJKSA-N 390.461 2.922 0 40 GFAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1[C@@H]1CCS(=O)(=O)C1 8245394 CALOYDSHEOIELP-CYBMUJFWSA-N 395.506 2.700 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 8264264 YEJSNMFEAPICLZ-KBPBESRZSA-N 385.489 2.820 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 9236419 DCZGLJTXPWMBEH-QZTJIDSGSA-N 395.488 2.671 0 40 GFAB CC[C@@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 9253173 BARQYKCWDRKADO-RHSMWYFYSA-N 385.489 2.690 0 40 GFAB CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3ccsc3)c(=O)oc2c1 9305324 HRXAFUMWIGMSJH-UHFFFAOYSA-N 385.441 2.990 0 40 GFAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3c(F)cccc3F)nc(N)c12 11151059 KIJVTWCEWZSBHV-UHFFFAOYSA-N 391.330 2.925 0 40 GFAB O=C(C1CCCC1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 12187101 JFBHVXKAORBBRC-UHFFFAOYSA-N 389.883 2.594 0 40 GFAB CCOCCn1/c(=N\C(=O)c2cc(C)no2)sc2c(OC)ccc(OC)c21 12422487 YOTUZHFMRUEFDM-VHEBQXMUSA-N 391.449 2.794 0 40 GFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12551119 QPQXBQIUAXRJFS-IRXDYDNUSA-N 395.425 2.960 0 40 GFAB COc1ccccc1[C@@H](NC(=O)c1ccc(NC(C)=O)s1)c1nccn1C 12575092 FZJJMPITKDAZGA-QGZVFWFLSA-N 384.461 2.968 0 40 GFAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)c2cc(C(C)C)nn2C)n1 12747613 RAAPDAIPEOCRAO-UHFFFAOYSA-N 382.468 2.886 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 12775818 HDMIHOZNZLHSDC-UHFFFAOYSA-N 394.541 2.644 0 40 GFAB CN(CC(=O)Nc1ccccc1C(N)=O)Cc1ccc(Br)s1 12885007 SNSXRCOUSIQDJG-UHFFFAOYSA-N 382.283 2.680 0 40 GFAB CCOc1ccc(N(CC(=O)Nc2cccc(OCC)c2)S(C)(=O)=O)cc1 13646919 LIWZLCUYVSVCSG-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 14244263 KICHDTZTGSRNQZ-UHFFFAOYSA-N 378.538 2.881 0 40 GFAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1ccc(CN2CCOCC2)cc1 14572254 BMCGHIJRCPAOFF-UHFFFAOYSA-N 393.443 2.796 0 40 GFAB CC(C)c1cc(C(=O)N2CC[C@H](c3nn(CCN)c4nccnc34)C2)cs1 19452172 ZIGXTIHELRLRJY-ZDUSSCGKSA-N 384.509 2.600 0 40 GFAB CCOc1cc(CN2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)ccc1O 19531863 RSJXJUJHNYDOHH-HNNXBMFYSA-N 398.507 2.811 0 40 GFAB COc1cc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC 19549737 RUNHHBIRZCFCIT-MRXNPFEDSA-N 399.491 2.595 0 40 GFAB CC(=O)N1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19754086 KPKQVMMGTCRQNJ-QGZVFWFLSA-N 382.445 2.863 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nnc(C)[nH]3)c(=O)c2c1-c1ccc(F)cc1 19819248 MZJZKQUKJOMUBK-UHFFFAOYSA-N 393.378 2.713 0 40 GFAB CC/C(NCc1ccc2c(c1)OCO2)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20330936 FEUKIFCTVKIQLM-OBGWFSINSA-N 399.447 2.580 0 40 GFAB C[C@@H](C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2)N1C(=O)c2ccccc2C1=O 21468658 FJJAGFDZTGVTTL-UONOGXRCSA-N 391.423 2.974 0 40 GFAB CCc1ccc(N2C(=O)[C@@H]3N=NN(c4cc(OC)cc(OC)c4)[C@H]3C2=O)cc1 23125720 JMQMQHGWAQCANR-QZTJIDSGSA-N 380.404 2.764 0 40 GFAB O=C(NCc1ccc(Cl)s1)C1CCN(S(=O)(=O)c2cccnc2)CC1 23196721 DYPLJZXRZNJABJ-UHFFFAOYSA-N 399.925 2.514 0 40 GFAB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(OC)cc1)Cc1ccccc1 24688164 UHPBMEBUYLAJHW-SFHVURJKSA-N 376.522 2.927 0 40 GFAB COc1cc(NS(=O)(=O)/C=C/c2ccccc2)c(C(=O)N(C)C)cc1OC 24955079 LKOBZCLTJZQQDU-ZHACJKMWSA-N 390.461 2.818 0 40 GFAB COC(=O)C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1 26894796 PVONOPHPYDOXPB-HNNXBMFYSA-N 380.444 2.772 0 40 GFAB O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccnc(-n2cnnc2)c1 32646999 ROKHLYZIYLBKNF-UHFFFAOYSA-N 390.447 2.977 0 40 GFAB CS(=O)(=O)NCCCNc1ncnc2cc(-c3ccc(F)cc3)sc12 32829648 CKSYBZRUZXSUKZ-UHFFFAOYSA-N 380.470 2.849 0 40 GFAB O=C(NCCNC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 32908224 BNUOKNSKTXXNLA-UHFFFAOYSA-N 381.457 2.882 0 40 GFAB CC(C)CNC(=O)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 32945354 YHJPWBLSEAAFFB-CYBMUJFWSA-N 385.464 2.931 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCC(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325669 SPSCMOJSXRMMFQ-QGZVFWFLSA-N 389.521 2.912 0 40 GFAB Cc1nn(C)c(C)c1CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn12 36619170 PRPXNMAOZZERTG-UHFFFAOYSA-N 395.854 2.725 0 40 GFAB O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)N1CCCC1 38487175 ZWRRZYUUFITLGJ-UHFFFAOYSA-N 396.451 2.898 0 40 GFAB O=C(Nc1cccc(Cl)c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 38754043 MLRZPCJCHIJPJY-UHFFFAOYSA-N 394.880 2.754 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)OCCCO3)n1 44893128 ZHHIVMBGAHYDQU-UHFFFAOYSA-N 392.411 2.963 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1csc(-c2cnn(C)c2)n1 46912333 BVOVWAFRWCZZPB-ZDUSSCGKSA-N 393.476 2.958 0 40 GFAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cs1 48355437 KEDMPQCYLIBBII-OAHLLOKOSA-N 386.521 2.923 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCO[C@H](C(N)=O)C3)c3ccccc3n2)c(C)c1 50859191 MILJWKYQBLWLHH-NRFANRHFSA-N 389.455 2.845 0 40 GFAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 53721031 RHCOJJPJUSANIK-WMLDXEAASA-N 378.542 2.790 0 40 GFAB Cc1oc(C)c(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 53797513 CPKQPWVGJLZZON-UHFFFAOYSA-N 376.478 2.919 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1 55292958 YPDZPXZNWBVKPT-SFHVURJKSA-N 397.500 2.607 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 56851404 BYKXAKUZWOSQOI-XJKSGUPXSA-N 378.856 2.555 0 40 GFAB Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 57020768 KYERBKGGWKBYEV-INIZCTEOSA-N 388.489 2.868 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O 57485883 QKWLUVMTAUKESB-UHFFFAOYSA-N 391.880 2.951 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC3=NCCS3)c2)c1 57984804 IDDRSJNNNRPPLU-UHFFFAOYSA-N 389.502 2.937 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(-n2cncn2)nc1 58152278 QIUSSAOYIRFXCO-UHFFFAOYSA-N 380.433 2.546 0 40 GFAB CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 58161470 ULCDONSATCAQEK-QGZVFWFLSA-N 394.947 2.528 0 40 GFAB COc1nc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc2ccccc12 65549073 HVWHHJLWXKCROQ-UHFFFAOYSA-N 391.427 2.968 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@](C)(O)c3ccccc3)n(C)n2)c1 77200971 WXJCRBOOCNMJGW-JOCHJYFZSA-N 395.459 2.742 0 40 GFAB Cc1noc(C)c1CNS(=O)(=O)N(C)Cc1ccccc1Br 84023597 PFAXLRMREBCVGC-UHFFFAOYSA-N 388.287 2.520 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)N(CCCO)Cc3ccncc3)cc2)C[C@H](C)O1 89936687 BALGIHDLGGYHEJ-OALUTQOASA-N 397.519 2.716 0 40 GFAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc3c(c2)OCO3)s1 95478078 NJPNLMIUUWJJTQ-NHYWBVRUSA-N 388.449 2.548 0 40 GFAB COc1cccc(-c2nc(C(=O)N3CCC[C@@H](c4n[nH]c(C)n4)C3)c(C)[nH]2)c1 95975113 DBDKPCWPDCPMOD-OAHLLOKOSA-N 380.452 2.840 0 40 GFAB COc1ccc(/C=C/C(=O)NCCn2ccc(-c3ccccn3)n2)cc1OC 96098900 GJIGCIHOCIRXKI-VQHVLOKHSA-N 378.432 2.792 0 40 GFAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccc(N(C)C)cc1)CC2 96254687 LZIGRYNJCDISME-UHFFFAOYSA-N 379.508 2.692 0 40 GFAB COc1ccccc1[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)OC 96384824 POCHYFAELFIIRQ-IBGZPJMESA-N 391.489 2.535 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)/C=C\c2sccc2C)c(=O)[nH]c1=O 97986099 OCSPBRSMQUJREU-FPLPWBNLSA-N 390.509 2.745 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)N1C[C@H]2CCC[C@H](C1)C2N1CCOCC1 100214183 NXXUDMOADSIQBA-IAGOWNOFSA-N 398.956 2.603 0 40 GFAB COc1ccc(OCCNC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1 100228245 PCCBQANFGBEAMX-WZGNDQMWSA-N 386.492 2.665 0 40 GFAB CC(C)(C)c1nc(CC(=O)Nc2nc(CN3CCOCC3)cs2)cs1 102636439 XPMNIERDZBYPRF-UHFFFAOYSA-N 380.539 2.911 0 40 GFAB C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)c2nccn2-c2ccccc2)CCC[C@H]1C 106927880 YXMXQLXLHZNEOM-VYDXJSESSA-N 375.494 2.587 0 40 GFAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H]3CC(=O)C[C@H]32)cc1F 216644933 LBKVUXJXRKBRQF-XNIJJKJLSA-N 381.404 2.634 0 40 GFAB COc1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223119447 FTPGCKUISPCDKZ-UHFFFAOYSA-N 382.869 2.749 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cc(C)ccc2OC)cc1 224592789 LLBLEBDTQADDHA-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB CN([C@@H](Cc1ccc(Br)cc1)C(=O)O)S(=O)(=O)c1ccccc1 225159352 LWRUCLALOGDSNA-HNNXBMFYSA-N 398.278 2.766 0 40 GFAB Cc1ccccc1OCC(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225735510 SYZGDKRWDCJHIX-UHFFFAOYSA-N 380.492 2.828 0 40 GFAB S=C(Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1)NC1CCCC1 226005372 WFBQRAHZXNTCAC-UHFFFAOYSA-N 390.557 2.533 0 40 GFAB COC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252514123 BHZVPGZYJAABEH-NUJGCVRESA-N 379.478 2.684 0 40 GFAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3cccc(F)c3)ccnc12 257235892 GZZMNWPWFBVSKY-INIZCTEOSA-N 381.411 2.595 0 40 GFAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)c4oc(C)nc4C)CCO3)n2)no1 257260503 LDECVJPRYZDCBK-HNNXBMFYSA-N 383.408 2.940 0 40 GFAB Cn1nccc1C(=O)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306129401 IBZUDSDBGIYAIQ-HXUWFJFHSA-N 398.470 2.848 0 40 GFAB O=C(NCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708945 NLVBEGGWDYAANI-UHFFFAOYSA-N 379.460 2.656 0 40 GFAB Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409201734 XMXGYERTXBUGSQ-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB O=C1CN(S(=O)(=O)c2ccccc2-c2ccccc2)CCN1CC(F)(F)F 510969395 RBIALEBTIWTTHH-UHFFFAOYSA-N 398.406 2.749 0 40 GFAB COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(-n3cnnn3)cc2)c1 515767767 YRRGEQGZUDOMBF-SFHVURJKSA-N 378.436 2.910 0 40 GFAB CN(C)c1ccc(Cl)cc1NC(=O)NC(c1nccn1C)c1nccn1C 528985865 YOEJLRXIKXOSRA-UHFFFAOYSA-N 387.875 2.784 0 40 GFAB Cc1nc(COc2ccc(CN3CCC[C@H](c4cc[nH]c(=N)n4)C3)cc2)no1 585084538 QFNZFIFLXFMKRI-INIZCTEOSA-N 380.452 2.539 0 40 GFAB C[C@@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097692 MPPUYBUYIBZQKM-OAHLLOKOSA-N 391.475 2.746 0 40 GFAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1onc2c1CCCC2 613135533 MRHUTRSVAPPANX-OAHLLOKOSA-N 377.803 2.881 0 40 GFAB C[C@@H]1C[C@H](C(=O)N2C[C@H](c3ccc(Br)cc3)[C@@H](C(=O)O)C2)[C@@H](C)O1 630195861 VSKDQUYJRLUIRA-HTUPGXDSSA-N 396.281 2.889 0 40 GFAB CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc2ncsc2c1 660151469 SMNGRAREMDLFQI-AWEZNQCLSA-N 395.550 2.560 0 40 GFAB O=C(NCCc1noc2ccccc12)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 661063433 UVQXRENBGIHVSG-SFHVURJKSA-N 396.422 2.610 0 40 GFAB Cc1ccc(Cc2ccccn2)cc1NC(=O)c1nnn([C@@H]2CCNC2)c1C 662540197 SYHKIFCKZRAODP-GOSISDBHSA-N 376.464 2.667 0 40 GFAB COc1ccc(COCC(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cc1 678987008 AQWHJVDQLZFTKZ-UHFFFAOYSA-N 379.796 2.967 0 40 GFAB c1ccc(-c2ccc(N3CCN(c4nc5cnccc5s4)CC3)nn2)nc1 1775974378 PEYUFYKYKMZOLW-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cccc2nsnc12 19077239 LABZJJDIXXAQRR-UHFFFAOYSA-N 389.868 2.854 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccccc3N)n2C)c1 1364458 YWFDNRRBKDSZPY-UHFFFAOYSA-N 399.476 2.812 0 40 GFAB COCC(=O)N(Cc1cccs1)Cc1cc2cccc(C)c2n2nnnc12 1376807 DDHCSXBDLUIIGZ-UHFFFAOYSA-N 381.461 2.823 0 40 GFAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC[C@H]1CCCO1 22771679 DYQIKMYZECAAAG-JOCHJYFZSA-N 393.531 2.689 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)cc(C)n(Cc2ccco2)c1=O 8879197 UBAXIIREOFETPA-SFHVURJKSA-N 397.383 2.781 0 40 GFAB biogenic Cn1c(C(=O)O[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc2sccc21 4923942 HBMYNVJUXAQLCB-KBXCAEBGSA-N 399.472 2.828 0 40 GFAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)nc2n1 6038363 WEETUJOVXBPVGG-JTQLQIEISA-N 398.448 2.574 0 40 GFAB CC(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 6159815 ZUMANHFQVZMIMH-KRWDZBQOSA-N 380.897 2.754 0 40 GFAB C[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)c(F)c1 23548343 SCPWEBNBDOFKQL-LBPRGKRZSA-N 379.407 2.787 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 23977732 WRBRGLNVZQGBJL-LJQANCHMSA-N 392.496 2.794 0 40 GFAB C[C@@H](C(=O)NCC1CCCCC1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8324008 JICPRUUJMSSEIJ-OYHNWAKOSA-N 383.492 2.855 0 40 GFAB C[C@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)N1CCCC1 83888667 MTQNBEJPOFQKLE-BONVTDFDSA-N 384.263 2.614 0 40 GFAB C[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1 24498598 WENVTJDXQHUTEJ-AWEZNQCLSA-N 399.472 2.950 0 40 GFAB CN(CCCc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 56061907 FYYSOWXGTITFKM-UHFFFAOYSA-N 375.494 2.504 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c(c1=O)SCC2 9560266 ATDXYVZOOQLDQJ-UHFFFAOYSA-N 377.491 2.651 0 40 GFAB COCCC(=O)NC[C@H]1CC[C@H](c2c(C(N)=O)sc3ncccc32)CC1 100688402 OSVQVSNYCGODEJ-BETUJISGSA-N 375.494 2.822 0 40 GFAB c1ccc(CN2C[C@@H]3CC[C@H](NC4CCN(C[C@@H]5CCOC5)CC4)[C@H]3C2)cc1 108386726 QDUABLWEOHMWCC-WMIMKTLMSA-N 383.580 2.988 0 40 GFAB COCCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206779 QDTNJYSPNUBEDF-HNNXBMFYSA-N 388.489 2.593 0 40 GFAB CCn1c(SC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)nnc1-c1ccccc1 58210839 MRMKAPCPAJWCRP-UXLLHSPISA-N 376.526 2.527 0 40 GFAB Cc1nc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)sc1C 62022897 RKHZMNIITWRRSE-AWEZNQCLSA-N 383.481 2.591 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Br)c[nH]1 58347913 TUVQJNZOGGPCLL-UHFFFAOYSA-N 375.226 2.676 0 40 GFAB NC(=O)C1CCN(c2nc3nccc(-c4cccc5ccccc45)c3c(=O)[nH]2)CC1 57531092 FKOWDRIGINNDGO-UHFFFAOYSA-N 399.454 2.840 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3O)C2)s1 12756092 FTEUFFMSRCURCN-CYBMUJFWSA-N 380.491 2.802 0 40 GFAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccccc1Br 22195196 XMFNGTAUZYKIGZ-LBPRGKRZSA-N 382.283 2.872 0 40 GFAB Cc1cccc(CN2CCN(C(=O)CCNC(=O)Nc3ccccc3)CC2)c1 23701365 OUJJMFGSQWKBEO-UHFFFAOYSA-N 380.492 2.851 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(F)cc(F)c2)s1 12777844 DSNQOUKMQCJBHH-UHFFFAOYSA-N 388.461 2.987 0 40 GFAB NC(=O)C1CCN(c2ncnc3c2oc2ccc(Br)cc23)CC1 2448674 ZQLLPFFGKUMMBV-UHFFFAOYSA-N 375.226 2.840 0 40 GFAB Cc1oc(-c2ccccc2)nc1COC(=O)CN1C(=O)c2ccccc2C1=O 11581994 IACLMQZSVYRGKF-UHFFFAOYSA-N 376.368 2.989 0 40 GFAB COc1ccc(C(=O)NC(=S)NCc2ccc(C(=O)O)cc2)cc1Cl 20152915 HMSDRXPZXJYXKB-UHFFFAOYSA-N 378.837 2.851 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)c1C 3355456 GQEJOAHLRMBSGE-OAHLLOKOSA-N 398.459 2.938 0 40 GFAB COc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc2c1 11867073 GOLJWDZKHYPOBG-OYHNWAKOSA-N 385.460 2.806 0 40 GFAB biogenic COc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20460203 GFDOXTQJSRLINC-MRXNPFEDSA-N 396.852 2.514 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 3315956 COFNJKGICXNPDX-INIZCTEOSA-N 378.425 2.535 0 40 GFAB COCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc2c1=O 3437201 XGFAOCUBFMZXKZ-UHFFFAOYSA-N 395.484 2.724 0 40 GFAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 13001114 LNODZUSWMMORFJ-NSHDSACASA-N 380.416 2.897 0 40 GFAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1 409155380 IPLVGQRRHLTEAZ-UHFFFAOYSA-N 395.488 2.784 0 40 GFAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NCc2ccc(Cl)cc2)c2ccccc21 4045314 WBKKWHUNWRMIBV-LPHOPBHVSA-N 384.819 2.816 0 40 GFAB biogenic COc1ccc(CC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1OC 6424238 NWOGWPCLXZPXIM-GOSISDBHSA-N 383.444 2.983 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)ccc1OC 6433526 WZFPYUPZOLMTHM-ZDUSSCGKSA-N 385.283 2.814 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1 14200430 JKTHJVNBDTWNOK-SECBINFHSA-N 397.428 2.880 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cc1 408597618 VNRAAKNIFJQRTA-OAHLLOKOSA-N 380.510 2.759 0 40 GFAB Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c(C)o1 6657814 FBHCMZPLBHIWNA-OAHLLOKOSA-N 381.432 2.954 0 40 GFAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)NCc1ccco1 6673223 DAEGPYFMNWFJHD-UHFFFAOYSA-N 394.456 2.756 0 40 GFAB CCOc1ccccc1N(CC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O 4703270 IDCVFCPMXJAURP-UHFFFAOYSA-N 390.461 2.693 0 40 GFAB COc1ccccc1N1CCN(C(=O)C[C@H](C)CC(=O)N2CCCCC2)CC1 4739549 VLNZLJDFPYCNJS-GOSISDBHSA-N 387.524 2.773 0 40 GFAB O=C(CNS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1 6787703 AJABNWVREHOXSG-UHFFFAOYSA-N 388.470 2.832 0 40 GFAB CSCC[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nnc2ccccn12 96117859 YHCQNFZAXWZCEF-AWEZNQCLSA-N 393.476 2.739 0 40 GFAB Cc1c(C(=O)NCCCN2CCC[C@H](C)C2)nnn1-c1ccc2ncccc2c1 66822912 QUJBNQNFYXBERH-INIZCTEOSA-N 392.507 2.976 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)c(F)c1 15039573 HHRXNVWRSCGWTB-UHFFFAOYSA-N 381.451 2.740 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H](c1ccccc1)c1cccs1 7287834 MOXFAFZGJUBFBN-QGZVFWFLSA-N 383.473 2.818 0 40 GFAB CCCOc1c(Cl)cc(C(=O)N2CCN(c3ncccn3)CC2)cc1OC 15700993 VVPXTOJKEAZTTJ-UHFFFAOYSA-N 390.871 2.890 0 40 GFAB CCCCC[C@@H](C)NC(=O)Cn1cnc2oc(C)c(C(=O)OCC)c2c1=O 7554870 AQTMYGXOZXHXQV-GFCCVEGCSA-N 377.441 2.560 0 40 GFAB O=C(CCn1ncc(=O)c2ccccc21)NCCSCc1ccccc1F 8369053 DSALHKXLRLCDMR-UHFFFAOYSA-N 385.464 2.975 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)c2cc(CCC)c(C)s2)c(=O)[nH]c1=O 8325077 MMOLGEAKAQFCIC-UHFFFAOYSA-N 392.525 2.908 0 40 GFAB CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)NC(C)C)s1 8429003 OZZXUQOTKLEZHX-JTQLQIEISA-N 376.573 2.504 0 40 GFAB CN(c1ccccc1)C1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 71818914 WPYBQYHBNUFAQQ-UHFFFAOYSA-N 379.460 2.539 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 17805577 KMPHQRKTDFNLMP-UHFFFAOYSA-N 395.459 2.922 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(N2CCCCCC2)cc1 84405649 GTCFDYRBDRLETL-OALUTQOASA-N 381.476 2.957 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2)cc1 89444303 MIXOUXRMWYYKSW-FQEVSTJZSA-N 379.460 2.641 0 40 GFAB COCC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc(SC)cc1)CCO2 306137218 QPIMXOQZBNOCAC-ICSRJNTNSA-N 378.538 2.685 0 40 GFAB CCCC(=O)N1CC(F)(F)C[C@@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306141568 WAPJARSUNFBQJM-SFHVURJKSA-N 382.455 2.505 0 40 GFAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](Cc1ccccc1)n1cnnn1 32768075 HDVPVQUHZGCFIJ-OAHLLOKOSA-N 377.326 2.994 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218532170 PKUDCTXBOKGATM-ZIFCJYIRSA-N 393.892 2.788 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 38854196 PZEMSYCPGGJHLH-GOSISDBHSA-N 376.472 2.839 0 40 GFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 71285362 UAEZIAPMEXQAKZ-IRXDYDNUSA-N 379.416 2.580 0 40 GFAB CCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cn(C(F)F)nc1C 36614880 JWABKIKLXIYAJC-UHFFFAOYSA-N 397.407 2.847 0 40 GFAB C[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1)c1ccccc1 72344616 LWODNUGEIYHLLR-KRWDZBQOSA-N 395.503 2.783 0 40 GFAB CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 72242234 HXAXCZCPURFOHM-TZIWHRDSSA-N 381.451 2.694 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1 32721959 ZARKDXDSSMZWFA-MRXNPFEDSA-N 375.494 2.929 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1 36071078 IXWKVYRUFZYGIZ-FQEVSTJZSA-N 384.501 2.940 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccccc1 216379003 QZWQGCDSMKOJHN-MRXNPFEDSA-N 376.478 2.729 0 40 GFAB CCN(Cc1ccco1)C(=O)Cn1c(=O)n(Cc2cccs2)c2ncccc21 72346848 BACCLURESVWZNG-UHFFFAOYSA-N 396.472 2.950 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC 44884113 YREQTMIIDPNIEK-LBPRGKRZSA-N 378.450 2.566 0 40 GFAB CC(C)Oc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)cn1 225924238 OUQSLTQHSPYLQD-UHFFFAOYSA-N 391.493 2.706 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1N1CCCC1=O 223888385 OSWUBQJCDVKSRK-UHFFFAOYSA-N 392.452 2.782 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)s1 222620883 MZZXQMXQJUHCGX-LLVKDONJSA-N 381.479 2.826 0 40 GFAB CC(C)(CO)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 44891357 YTKTYOJDMBGLKS-MRXNPFEDSA-N 375.856 2.971 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C 222823153 BDRNNRNTNIPFIJ-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB CCSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1 222654077 LOLVDPKZVPBIEM-UHFFFAOYSA-N 384.508 2.578 0 40 GFAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 223311561 OIFCGXQGYYKMIW-UHFFFAOYSA-N 379.507 2.501 0 40 GFAB CCC(CC)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225505850 ZKKILCDGCPIUTK-UHFFFAOYSA-N 388.902 2.911 0 40 GFAB COCCN(C)c1nc(C2CCN(C(=O)c3ccco3)CC2)cc2c1ncn2C 96099966 OYJIFITUDXLTAJ-UHFFFAOYSA-N 397.479 2.664 0 40 GFAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)C(=O)N1CC(C)C 96261545 GEPHEMGPFNWWCU-ZRCGQRJVSA-N 396.535 2.936 0 40 GFAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cn(C)nn3)cc21 96103561 STMZDKQJSUUTJP-UHFFFAOYSA-N 385.468 2.865 0 40 GFAB COC[C@@H]1CN(C(=O)c2ccco2)CC12CCN(Cc1nccs1)CC2 247884139 RBYVMQXHHQGNMH-HNNXBMFYSA-N 375.494 2.737 0 40 GFAB Cc1ncc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccccn4)C3)n2)n1C 257233987 GROVXTGFEBWPFN-MRXNPFEDSA-N 376.464 2.675 0 40 GFAB CCc1ccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4)CC3)n2)cc1 256046584 GWZFMHRLMVBNNU-UHFFFAOYSA-N 377.448 2.855 0 40 GFAB Cc1c(CC(=O)N2CC3(CCOCC3)[C@H]2c2cnn(C(C)(C)C)c2)cnn1C 585093512 QJUNLDFBJGJWHP-LJQANCHMSA-N 385.512 2.603 0 40 GFAB O=C1NCCc2c1ccc(NC(=O)[C@H]1CCC(=O)N(c3cccc(F)c3)C1)c2F 622865821 JWUKNCLHGLFWPP-LBPRGKRZSA-N 399.397 2.632 0 40 GFAB COc1ccc(CCC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96104415 NSZWWLGWOXJTKO-UHFFFAOYSA-N 393.892 2.966 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1cccc(C)n1 575402333 AQWDGOPMJSRWGJ-QGZVFWFLSA-N 382.526 2.518 0 40 GFAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 585088651 UPSONHKYMSFJSI-NRFANRHFSA-N 389.496 2.845 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1O 72393207 QHZWCKOVWRINLT-MRXNPFEDSA-N 392.459 2.926 0 40 GFAB O=C(Nc1ccc(F)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 5679620 VSAWLXWDJBDJRY-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CN(C)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 12085331 AJPVDXORJPDLSE-LNSITVRQSA-N 378.416 2.744 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1 15028526 TXTRPDQSTRRXHL-UHFFFAOYSA-N 384.910 2.770 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 18076266 BDUDKVSEGRXSOB-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB O=C(CC1CCN(C(=O)C[C@@H]2CCCO2)CC1)NCCc1ccccc1F 19748417 BFRBZFNEVFTXAW-SFHVURJKSA-N 376.472 2.682 0 40 GFAB COc1ccc(NC(=O)CSCC(=O)Nc2c3c(nn2C)CCCC3)cc1 602419368 ZKUXCKUOWFBOCS-UHFFFAOYSA-N 388.493 2.618 0 40 GFAB C[C@H](NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1nccn1C 660634901 WMQPVMGCZJAPPE-UONOGXRCSA-N 377.439 2.723 0 40 GFAB COc1ccccc1C(=O)N1CCN(Cc2ccnc(-c3cccnc3)n2)CC1 19568794 DMNDHLCHSXWKGS-UHFFFAOYSA-N 389.459 2.505 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 2037840784 QTLFISFGLKZMGD-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB Cc1nc(CN2CCC[C@]3(CCCN(C(=O)C4=CC=NC(=O)C4)C3)C2)cs1 2056223927 HYBDXRMPJGZFSE-FQEVSTJZSA-N 386.521 2.584 0 40 GFAB CC[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C 4061385 CJTJSYJBYUTTAL-CYBMUJFWSA-N 385.493 2.742 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)Nc3cc(OC)ccc3OC)CC2=O)c1 5189883 SXYGYYMAEPOBHZ-ZDUSSCGKSA-N 385.420 2.639 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)NCCn1nc(-c2cccs2)ccc1=O 11694487 WDPCBVITLGZXFB-CYBMUJFWSA-N 387.436 2.695 0 40 GFAB CC(=O)N1CCN(C(=O)Cc2csc(Nc3cccc(Cl)c3)n2)CC1 16850324 JJGWAAYBKVHRLD-UHFFFAOYSA-N 378.885 2.773 0 40 GFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc(C)cc1C 20051505 NLWWFQUWNWSYIG-GOSISDBHSA-N 389.521 2.523 0 40 GFAB CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)CC(C)C)C(F)(F)F 24984019 QHNPTCWBQYMNIY-MRXNPFEDSA-N 378.366 2.899 0 40 GFAB CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207016746 IQZGMLUMYDMDHD-ZDUSSCGKSA-N 377.466 2.921 0 40 GFAB COc1ccc(C(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)cc1F 585147109 IPJWOPRGIRONGG-LBPRGKRZSA-N 396.216 2.680 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1 4280327 QVTRIBMEFFAOMC-UHFFFAOYSA-N 387.461 2.543 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242527 HYPCTEUHDJHDDJ-MHORFTMASA-N 396.520 2.969 0 40 GFAB C[C@H]1CN(C(=O)Nc2ccc(NC(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C[C@H](C)O1 40546184 CPEBZGBZVCLRLN-YHUYYLMFSA-N 390.484 2.969 0 40 GFAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2cccc(Cl)c2)on1 40087374 UQNNQCMNCGRUOZ-UHFFFAOYSA-N 388.811 2.895 0 40 GFAB O=C(NCCC(=O)N1CCCc2ccccc21)c1cncc(Br)c1 40122518 SILLKCDXSWABGL-UHFFFAOYSA-N 388.265 2.943 0 40 GFAB COC(=O)c1c(SCC(=O)Nc2ccc(Cl)cc2C)nc(=O)[nH]c1C 31618216 ZMXRBMKZJIAUIC-UHFFFAOYSA-N 381.841 2.558 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@@H](O)c2cccc(F)c2)C1 51290507 XMVIUDTWJDPWGG-IFXJQAMLSA-N 388.464 2.886 0 40 GFAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCCc1c[nH]c2ccccc12 20763475 UIEQMAKJXUVAOY-SFHVURJKSA-N 376.416 2.617 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)c(Br)c1 32770641 RMHNGLLMHGUFDP-UHFFFAOYSA-N 395.238 2.501 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 32760099 WNZXFBKFNVOHIE-GOSISDBHSA-N 386.473 2.642 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccs3)C2)s1 32903759 KPMCFNVHVXFFMQ-CYBMUJFWSA-N 384.548 2.835 0 40 GFAB Cc1cccc(C(=O)NC2=NN3C(=NC(=O)C[C@H]3c3ccc(Cl)cc3)N2)c1 2407974 XBFRYHAJLIDDJG-HNNXBMFYSA-N 381.823 2.582 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)cc1 3228561 SZTGQWSWAKCPHC-UHFFFAOYSA-N 375.446 2.757 0 40 GFAB O=C(COc1ccccc1Cl)NCCNC(=O)COc1ccccc1Cl 3553360 SWUNEEIJYLKHDN-UHFFFAOYSA-N 397.258 2.684 0 40 GFAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](C(=O)O)c1ccccc1 4025831 QUYWHDBFNWGGHF-NRFANRHFSA-N 395.411 2.985 0 40 GFAB biogenic CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505437 QXRUYVANYNSTTB-INIZCTEOSA-N 387.567 2.818 0 40 GFAB COc1cc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc(OC)c1 4852417 QYTYSIIQJHEDGC-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1CCc1cccs1 5429986 JBZPDHYRQUEJEC-UHFFFAOYSA-N 384.461 2.821 0 40 GFAB CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1N 5556881 PUTWEXXNLVNVRV-UHFFFAOYSA-N 379.795 2.957 0 40 GFAB CCN(C(=O)CSc1nc2ccccc2n1C(C)C)[C@@H]1CCS(=O)(=O)C1 6566902 STFJBIHOEVODLL-CQSZACIVSA-N 395.550 2.745 0 40 GFAB Cc1ccc(-c2nonc2NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 6755640 SSNSXRSKHNCNHI-UHFFFAOYSA-N 391.362 2.982 0 40 GFAB Cc1cc(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833670 RHGMOUFVZDNFQE-GJZGRUSLSA-N 392.546 2.978 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc4ccccc34)nc2n1 8283058 HSMMNNFQLCRPTG-UHFFFAOYSA-N 375.388 2.690 0 40 GFAB Cn1nc(C(=O)N[C@H](CC(=O)O)c2cccc(Oc3ccccc3)c2)ccc1=O 9550320 PISDQBORWMVVHY-GOSISDBHSA-N 393.399 2.518 0 40 GFAB CCN1CCC[C@H]1CNC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O 9576803 BUOJQOHALVDRLN-LBPRGKRZSA-N 378.856 2.603 0 40 GFAB O=C(NCc1ccc(OC(F)F)cc1)c1cccc(N2CCCS2(=O)=O)c1 11737971 QPIPMKLIITXCJM-UHFFFAOYSA-N 396.415 2.758 0 40 GFAB Cc1nc(C)n(C[C@@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n1 12121870 BKYYNXGBAZVAAC-OAHLLOKOSA-N 384.480 2.501 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1Cl 12378286 ZZEXILUHBFSHFY-ZAPJKBGESA-N 397.855 2.983 0 40 GFAB biogenic O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc3ccccn23)C1 12389727 RIPQUHVEWWQNQF-DYLHUKMJSA-N 376.416 2.877 0 40 GFAB C[C@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 12520139 HZVAJZIMHOFSPR-ZDUSSCGKSA-N 390.399 2.607 0 40 GFAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N1C[C@@H](C)O[C@H](C)C1 12644383 BOCVOJJPNBBAQJ-UTUOFQBUSA-N 391.449 2.582 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)CC(=O)Nc1ccccc1Cl)C2=O 13041579 QHTWWSJJCUZPHS-DJJJIMSYSA-N 392.887 2.669 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2cccs2)o1 13653494 HJIBAQCFIMNDNP-UHFFFAOYSA-N 377.447 2.524 0 40 GFAB CC(=O)NCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 14200370 JCDIMBQQROSSMB-UHFFFAOYSA-N 382.283 2.961 0 40 GFAB O=C(NCc1ccco1)NC[C@H]1CCC[C@@H](CNC(=O)NCc2ccco2)C1 18141952 STTWEESENNJORW-IYBDPMFKSA-N 388.468 2.978 0 40 GFAB Cc1ccc(C2=NO[C@H](CC3(C(=O)N4CCC[C@@H](O)C4)CCOCC3)C2)cc1 19208862 DUJNTFQAEBPLGY-MOPGFXCFSA-N 386.492 2.658 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cn2cncn2)c1 19293292 PLJSZBVPKDADEX-UHFFFAOYSA-N 381.411 2.554 0 40 GFAB CN(C)c1nccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19585816 TVGZWBKMCLLKJY-SFHVURJKSA-N 394.454 2.978 0 40 GFAB CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)c2)CC1 19705312 ZWQPVUYJHOUTTD-HXUWFJFHSA-N 398.551 2.955 0 40 GFAB Cc1cc(C)n([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 19716916 IMLCWMOHKJPPQL-MRXNPFEDSA-N 390.509 2.874 0 40 GFAB CN(C(=O)c1nccc2ccccc12)[C@@H]1CCCN(C(=O)Cn2cccn2)CC1 19749911 ULAFJSKFILVCRC-GOSISDBHSA-N 391.475 2.585 0 40 GFAB CCc1ccc(C(=O)OC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 23112453 DJGYMJPORBWXIO-UHFFFAOYSA-N 381.494 2.759 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4ccnc4)nc3)CC2=O)c1C 25010889 HUKBAMWQNUOAJC-MRXNPFEDSA-N 375.432 2.876 0 40 GFAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 28208379 JGTWAAWPKVETGP-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2csc(Br)c2)C1=O 30579034 BOWDWQCKBSDCFG-HNNXBMFYSA-N 394.250 2.623 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)Cn1nc(SCc2ccccn2)nc1N 35315537 DOMAHCCDCAOJKG-ZDUSSCGKSA-N 380.477 2.525 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 36384375 YHXGYQKOYWFHJD-URLQWDBASA-N 394.537 2.570 0 40 GFAB CC(C)NCc1cc(Br)c(OCC(N)=O)c(Br)c1 36612930 KXVWMCGIYGTVFO-UHFFFAOYSA-N 380.080 2.574 0 40 GFAB COc1ccc(OC)c([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)c1 36701583 GVYXQJVKXAKNHC-AGRHKRQWSA-N 393.447 2.954 0 40 GFAB O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1ccno1 38714182 CBWBMBLUVMCMPV-UHFFFAOYSA-N 383.429 2.674 0 40 GFAB CCCN1C(=S)N[C@H](c2cc(OC)c3c(c2)OCO3)C(C(=O)OCC)=C1C 40039057 CSISAMZXKOUCJD-MRXNPFEDSA-N 392.477 2.902 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nc(C)c(C)s1 40267093 BNKILEVXZOOPFT-LJQANCHMSA-N 384.461 2.697 0 40 GFAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ncc(C)s1 40313224 SSRFAXXHNHMVFJ-LJQANCHMSA-N 384.461 2.779 0 40 GFAB biogenic CC(=O)c1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1 40478608 PAHPFNNUIFBHCX-UHFFFAOYSA-N 393.443 2.661 0 40 GFAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 46320897 BXCUSQHGEUONNI-UHFFFAOYSA-N 384.867 2.904 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccc(F)c1 48324894 WWSGNKKAIRNRBM-DNVCBOLYSA-N 384.455 2.556 0 40 GFAB Cc1ccc(-n2nc(C)c(CC(=O)NC[C@H]3COCCO3)c2C)cc1Cl 54619855 OSMIEBMNFYXJHD-INIZCTEOSA-N 377.872 2.525 0 40 GFAB O=S(=O)(c1cccc2cnccc12)N1CCN(CCOc2ccccc2)CC1 55973615 VYFKMCIMCDLVML-UHFFFAOYSA-N 397.500 2.620 0 40 GFAB COCCN1CCC(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 58008377 LIZTZYLTEUNUCK-UHFFFAOYSA-N 391.493 2.742 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 58191582 JYSZENVDZUVXNV-RDJZCZTQSA-N 379.865 2.763 0 40 GFAB CN(C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1)S(C)(=O)=O 58203390 DBCWFMAFNCLOQM-UHFFFAOYSA-N 379.404 2.593 0 40 GFAB CC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)CC2 70638354 MHWFUPQLNFHAIQ-UHFFFAOYSA-N 385.424 2.829 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@](O)(c4ccco4)[C@@H]3C2)cc1 72343139 NRGCJQTZBXTOPU-YVWKXTFCSA-N 389.473 2.791 0 40 GFAB COc1cccc(-c2nc3cccc(C)n3c2CN2CCN(C(C)=O)CC2)c1 73658916 GJGGFFIFDTYMCK-UHFFFAOYSA-N 378.476 2.982 0 40 GFAB Cc1ccccc1-n1nncc1CN1CCN(C(=O)Cc2cccc(F)c2)CC1 77197158 CIKRGQXGSHHKTN-UHFFFAOYSA-N 393.466 2.602 0 40 GFAB CCCCCn1nc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c2ccccc2c1=O 79019827 XSRRDKPIIGFCMJ-HNNXBMFYSA-N 394.479 2.725 0 40 GFAB O=C1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccc(OCC(F)(F)F)nc1 79109739 RQXUQDCSLUJUIF-UHFFFAOYSA-N 385.342 2.646 0 40 GFAB CN1C(=O)C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1 79479399 QKOMJWJWQGIBIT-GGAORHGYSA-N 391.515 2.987 0 40 GFAB COc1cc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc2c1OCCO2 89426666 QUGNUILSMXZYTN-AWEZNQCLSA-N 397.349 2.949 0 40 GFAB C[C@H](CC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1)c1ccc(F)cc1 89894489 RFRXSCDCTPVPPR-APWZRJJASA-N 376.472 2.949 0 40 GFAB COc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)nn1 95476693 QPPOBPLLUCSPNP-UHFFFAOYSA-N 379.464 2.542 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96025549 LWIPXFPSMBMJFU-INIZCTEOSA-N 397.493 2.761 0 40 GFAB O=C(CNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96118087 MSPKKPZNBNLBTB-AWEZNQCLSA-N 383.839 2.535 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244266 PZIALFQLSUZHAO-HSZRJFAPSA-N 386.455 2.782 0 40 GFAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccccc2F)CC1 96793764 GYXQSQFANSHGJE-INIZCTEOSA-N 381.451 2.561 0 40 GFAB C[C@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 97102679 DRAJZGYLUVQRGO-KBXCAEBGSA-N 384.480 2.671 0 40 GFAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)/N=c1/sc2ccccc2n1C 104992064 CZSBFSSFGVRMDX-MIMOMMJQSA-N 376.445 2.660 0 40 GFAB COc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OC(C)=O 106754563 HWWRNTLTCXTVJS-NVNXTCNLSA-N 393.417 2.608 0 40 GFAB C[C@H]1CN(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 195729269 VSRQTQASZMJZBW-RYUDHWBXSA-N 397.324 2.706 0 40 GFAB COc1cc(OC)c(NC(=O)NCc2nc(C)cc(N(C)C)n2)cc1Cl 224188011 NZVDVNUKSPCGRO-UHFFFAOYSA-N 379.848 2.843 0 40 GFAB Cc1cccc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)c1C 224910415 NQJCZYFHUHZSPF-UHFFFAOYSA-N 384.567 2.861 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1)c1ccccc1 225206020 HMJLRWGCWUJEFS-UHFFFAOYSA-N 380.495 2.649 0 40 GFAB COc1ccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 225867765 XYMSFWFORHRSPC-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516993 YQANDJHLJQZUBG-SCTDSRPQSA-N 378.421 2.791 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3ccc(-c4cnc(C)n4C)nc3)C2)cn1 257205000 AXFASSPCHXELCV-SFHVURJKSA-N 390.491 2.984 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1F 257228000 FRXUHJHUQJIDTP-XLIONFOSSA-N 375.488 2.678 0 40 GFAB O=C(O)CC[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 408608038 MDZLDRXPLBZIDA-LJQANCHMSA-N 388.489 2.599 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccccc2)cc1 408636477 QVHDFAWNLXPWIO-UHFFFAOYSA-N 388.489 2.555 0 40 GFAB O=C(Cc1n[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 516329812 VACSPBDUCLZNJH-UHFFFAOYSA-N 398.488 2.919 0 40 GFAB CC(C)N(C)c1cccc(NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 578848971 NDMGCVANDAGYET-IBGZPJMESA-N 379.526 2.964 0 40 GFAB COC(=O)[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccn1 610256752 IAPIZJYONJYLAT-OAQYLSRUSA-N 380.444 2.954 0 40 GFAB O=S(=O)(NCCCF)c1cnc(NCc2nccs2)c(C(F)(F)F)c1 1615053399 PWVFTZPGCJPKTD-UHFFFAOYSA-N 398.407 2.807 0 40 GFAB CC[C@@H]1OC2(CCN(C(=O)CCc3nc(C)c(-c4ccccc4)o3)CC2)NC1=O 1615588224 ADZJKISEWGPZTM-KRWDZBQOSA-N 397.475 2.826 0 40 GFAB Cc1cc2c(cc1C)[C@H](C(=O)NCc1nnc3n1CC[C@H](C(F)(F)F)C3)CO2 1651900620 AKDZNYOMXNSCJO-GXTWGEPZSA-N 394.397 2.812 0 40 GFAB Cc1ncc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037988834 KPXCSWJQWUOFGG-OAQYLSRUSA-N 384.455 2.712 0 40 GFAB Cc1ncsc1CN1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746187 WIIHFBUILXXYBH-UHFFFAOYSA-N 377.539 2.633 0 40 GFAB COc1cnc(O[C@H]2CCN(c3ncc(Cl)cc3Br)C2)nc1 2087065714 YHEXTIBXVCQPMQ-JTQLQIEISA-N 385.649 2.954 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N2CCC(c3nnc4ccccn34)CC2)cc1 70754723 OLDXWTRQHKUUQC-OAHLLOKOSA-N 379.464 2.945 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnnn1-c1cc(OC)cc(OC)c1 932256 ZMIXFSPLLDGUMV-UHFFFAOYSA-N 399.476 2.973 0 40 GFAB O=c1c2cn[nH]c2nc(SC[C@@H](O)COc2ccccc2)n1-c1ccccc1 6414306 QBFTYIBQHFTLEB-HNNXBMFYSA-N 394.456 2.641 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 100421794 UVNKWBCKIUPKEV-AYMMHLMVSA-N 396.418 2.516 0 40 GFAB CCCCCNC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10334394 OSJHJAYTXNSZDC-LBPRGKRZSA-N 376.906 2.810 0 40 GFAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)ccc21 8735071 KFALITUZIOYZLP-LBPRGKRZSA-N 395.419 2.594 0 40 GFAB O=C(Nc1ccccc1)C1CCN(CC(=O)N2CCc3ccccc3C2)CC1 24855467 PGOVLJBLGISLCA-UHFFFAOYSA-N 377.488 2.922 0 40 GFAB C[C@H](COc1ccc(F)cc1F)NC(=O)CN1C(=O)CSc2ccccc21 55697891 QRXNVLXFRWDBTF-GFCCVEGCSA-N 392.427 2.987 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1F 12526137 ACBVAZHGQLDONB-INIZCTEOSA-N 392.452 2.844 0 40 GFAB O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 107345284 MWJQWEJSDQAKFH-VQTJNVASSA-N 395.503 2.799 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl 35378100 UQTTWFPTBHWTBQ-UHFFFAOYSA-N 389.864 2.911 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 27063988 GVZSAPTWIGPASG-WMEZAQDKSA-N 375.538 2.850 0 40 GFAB O=C(CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1 12688780 QNXGXDULGMDCJJ-UHFFFAOYSA-N 395.478 2.640 0 40 GFAB COc1ccc2nc(SCC(=O)NCCNC(=O)c3ccc(C)cc3)[nH]c2c1 10231776 IXVPHVPSJSJVHW-UHFFFAOYSA-N 398.488 2.518 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 58307345 OBEPWXYEBVHTLM-XDOYNYLZSA-N 390.472 2.932 0 40 GFAB CC[C@@H](NC(=O)CCc1n[nH]c(=S)[nH]c1=O)c1ccc(Br)cc1 11255707 QQGSNUAINPQFKV-LLVKDONJSA-N 397.298 2.790 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@H]1c1nnc2ccccn12 29075383 DSZOKWGFNURVJO-KRWDZBQOSA-N 378.432 2.847 0 40 GFAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 29352888 WAWVNAZLZJGUEY-UHFFFAOYSA-N 391.478 2.503 0 40 GFAB COc1ccc(CNC(=O)COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 3385852 GBPNZVMFCNCNBK-YRNVUSSQSA-N 385.416 2.585 0 40 GFAB COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 46085608 UENKXGFXRGDPIE-IBGZPJMESA-N 396.487 2.614 0 40 GFAB CCc1cc(N(C)Cc2c(F)cccc2Cl)n2nc(C(=O)OC)nc2n1 48356473 FSXOGNOMBBPODQ-UHFFFAOYSA-N 377.807 2.902 0 40 GFAB CN(CCCNC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O 48328703 RGHNPKRILPQSMZ-UHFFFAOYSA-N 375.450 2.989 0 40 GFAB O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccc(-c2nccs2)cc1 48333837 AJHCKEOFYSAVAV-UHFFFAOYSA-N 398.492 2.716 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OC(F)F)c(Cl)c1 12800377 AVTFVRWMGHRBGY-UHFFFAOYSA-N 387.770 2.745 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-n1cccc1 28534657 AQFQZGHFTPXXGF-UHFFFAOYSA-N 387.465 2.837 0 40 GFAB COc1ccc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 3462805 DIQMVEGDVCMHTG-UHFFFAOYSA-N 381.432 2.683 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245629 OHVJFFGOJXAKMR-UHFFFAOYSA-N 397.884 2.844 0 40 GFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCC(F)(F)F 12999857 SBNPVKZBXPKIMT-UHFFFAOYSA-N 390.358 2.700 0 40 GFAB C[C@@H](C(=O)NC1CCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073767 SZASNXNYCSQCOM-XMHCIUCPSA-N 394.475 2.651 0 40 GFAB biogenic Cn1cc(-c2nc([C@H]3COCCN3Cc3cccc4cccnc34)no2)cn1 96001794 UALWEVZWDFUUDA-QGZVFWFLSA-N 376.420 2.592 0 40 GFAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)N1CCNC1=O 5361398 HAVPALMKFBXXNV-UHFFFAOYSA-N 380.473 2.923 0 40 GFAB CC(=O)NCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 14169360 MXSMWQJJBCMFTI-UHFFFAOYSA-N 377.803 2.597 0 40 GFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccccn2)CC1 14200650 VYIZUKSUMOMJQG-UHFFFAOYSA-N 381.411 2.552 0 40 GFAB O=C(O)c1cccnc1SCc1cc(=O)n2cc(Br)ccc2n1 6585773 ACEFUHWZMKUKDX-UHFFFAOYSA-N 392.234 2.843 0 40 GFAB Cc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)c2c(C)cc(=O)oc2c1 6658758 OEIHIVKVOAEAQH-UHFFFAOYSA-N 381.384 2.834 0 40 GFAB COCc1nc2nc(C(F)(F)F)nn2c(N)c1-c1ccc(OC)c(OC)c1 20638451 HDYUVFLHWDNZPP-UHFFFAOYSA-N 383.330 2.556 0 40 GFAB CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCCCc1ccncc1)C2 14743865 HKXFFDQTNCXLFD-GOSISDBHSA-N 383.540 2.716 0 40 GFAB Cc1ccc(CC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)s1 66813297 XMTPRWKMODQFBP-UHFFFAOYSA-N 397.544 2.723 0 40 GFAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)N[C@@H]1CCCc2ccccc21 7123383 GCDNXEUQDCYTIE-FZKQIMNGSA-N 391.427 2.662 0 40 GFAB CC(=O)N[C@@H](CC(=O)OCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1 16673514 VMENUSCDMIAUON-SFHVURJKSA-N 379.416 2.542 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(N2CCCCCC2)cc1 8193787 VHOXYVDUFATOJR-UHFFFAOYSA-N 377.448 2.811 0 40 GFAB Cc1ccc(C2=NN(C(=O)CN3CCCC[C@@H]3C(N)=O)[C@H](c3ccco3)C2)cc1 8727978 YQECAZIRRDZSKJ-MOPGFXCFSA-N 394.475 2.606 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2ccc(Cl)cc2-n2cnnn2)c1 72402632 BZYSPFUYPQKHHG-UHFFFAOYSA-N 396.838 2.709 0 40 GFAB C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)[C@H](O)c1ccc(Cl)cc1 95972130 PFQLSBMXIJPTPH-BZNIZROVSA-N 391.880 2.740 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 20245601 HCXDGYLUZFWABD-UHFFFAOYSA-N 381.885 2.513 0 40 GFAB COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl 26880092 XHGZMMNEEBJELK-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)OCCOC(=O)c3ccccc3)ccc21 23298359 NDXHAYKVARWLRT-UHFFFAOYSA-N 380.400 2.739 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 28233087 GNIXCUOZXKWMHJ-UHFFFAOYSA-N 392.403 2.753 0 40 GFAB O=S(=O)(NNc1ccc(Br)cc1)c1ccc2[nH]c(O)cc2c1 1535159723 CKQFMMHAHAVXPN-UHFFFAOYSA-N 382.239 2.941 0 40 GFAB COc1ccc(OC[C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 219136178 GBSRTWVYBLMPER-OAHLLOKOSA-N 396.443 2.655 0 40 GFAB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)n2ncnc2n1 36619267 PTEJNUGBYHDSRR-UHFFFAOYSA-N 379.399 2.686 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cccc(C(C)=O)c2)NS(C)(=O)=O)cc1 225956523 LHURPUARGZGLIB-SFHVURJKSA-N 390.461 2.517 0 40 GFAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225118986 DHWGODOATQXBCH-CQSZACIVSA-N 396.509 2.843 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N(CCc2cccs2)Cc2ccco2)CC1 77183959 JQHHAFOSHKZBOL-UHFFFAOYSA-N 396.534 2.584 0 40 GFAB COCCNC(=S)Nc1ncc(Br)c(C)c1Br 223884973 WTCZOFFNNHMONB-UHFFFAOYSA-N 383.109 2.848 0 40 GFAB Cc1cccc(OC2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)n1 96119483 ABXQELZOZXTARA-UHFFFAOYSA-N 392.459 2.560 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@H](c2ccnc(Nc3ncccn3)n2)C1 257283812 OZYHWVUZBJZJTB-HNNXBMFYSA-N 378.411 2.708 0 40 GFAB NC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)O1 294662662 DYRAGIIOKAVTKA-DLBZAZTESA-N 398.850 2.709 0 40 GFAB O=C(O)CN1CCCC[C@H](N2CCC[C@@H](COc3ccccc3Cl)C2)C1=O 643876035 ISXCBILWZPHAPD-WBVHZDCISA-N 394.899 2.897 0 40 GFAB O=C(Nc1cc(CO)cc(CO)c1)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 1168682631 CHTWHPGVYMMGJE-UHFFFAOYSA-N 399.397 2.876 0 40 GFAB C[C@@H](CN(Cc1ccccc1)C(=O)CCNC(=O)/C=C/c1ccco1)C(=O)O 95969787 WTLHSFCVNSQWIJ-SCOAYWHSSA-N 384.432 2.549 0 40 GFAB COc1ccc(C2(NC(=O)Cc3c(C)nc(SC)[nH]c3=O)CCCC2)cc1 12197667 DMQTXGHSFOWLDT-UHFFFAOYSA-N 387.505 2.937 0 40 GFAB CCC[C@@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)c1ccccc1 18135458 XZRFFRKHDKHMES-GOSISDBHSA-N 379.460 2.841 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2ccnc3cc(C)nn23)c1 19130730 JAIRFLLOJOBSQB-QGZVFWFLSA-N 380.448 2.961 0 40 GFAB CCn1cc(-c2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)on2)c(C)n1 19524715 POLNFTWKQYBWIW-UHFFFAOYSA-N 394.479 2.656 0 40 GFAB CN1CCN(C(=O)NCCc2cccc(OCc3ccccc3)c2)CCC1=O 664554550 BDWZPSAPKXZLEC-UHFFFAOYSA-N 381.476 2.682 0 40 GFAB COc1cc(CN2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc(OC)c1OC 19549733 DIFQVJLCTSACKB-CQSZACIVSA-N 383.452 2.758 0 40 GFAB COc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1OC 3378349 OZRZNSHKYGJPPA-IBGZPJMESA-N 395.459 2.549 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)OCc1ccccc1 5295275 LIDRXEFRYBECOL-PMACEKPBSA-N 382.460 2.819 0 40 GFAB O=C(c1cncc(F)c1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888844335 IQQHMXCIHWNAOD-BETUJISGSA-N 380.345 2.843 0 40 GFAB COc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C2)cc1 1888876429 KBSZZKKEQGDNGR-IRXDYDNUSA-N 380.492 2.991 0 40 GFAB CC[C@H](C(=O)N1C[C@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1)c1ccccc1 1888897741 XEZXOVBXLXRRDK-QRVBRYPASA-N 390.491 2.521 0 40 GFAB Cc1nccn1-c1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)ncn1 1888901265 PDYMYGWUHAFXAJ-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB CN(c1ccccn1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1889149557 SASVEZZKYJMWNL-KRWDZBQOSA-N 378.476 2.562 0 40 GFAB COc1ncccc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037988696 FDTWKLIOLSQPGH-OAQYLSRUSA-N 385.439 2.627 0 40 GFAB O=C(c1ccnc(C(F)(F)F)c1)N1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1 1565553184 NCYFJZCYAFMGDC-CRAIPNDOSA-N 383.414 2.960 0 40 GFAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1 4327042 MMIFEMCLBRMYLW-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB Cc1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1Cl 4347070 PSHBSRHXXRUBBD-UHFFFAOYSA-N 381.870 2.547 0 40 GFAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1C 8961838 XJKQUXNFNIULBV-UHFFFAOYSA-N 390.461 2.707 0 40 GFAB O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccccc1 16843599 ZTFCXHPBKZXFTH-UHFFFAOYSA-N 383.477 2.955 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(Cc4nnc(C)o4)CC3)nn2)cc1 1775974938 XVDQUOQOWZNORT-UHFFFAOYSA-N 380.452 2.556 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](c4ccn(C)n4)C3)cc2)co1 585389671 JDMDKSQCOYLIBG-MRXNPFEDSA-N 386.477 2.952 0 40 GFAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)CC2)cc1 215726557 FQFCVUAYUAZLNZ-OAQYLSRUSA-N 391.471 2.652 0 40 GFAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 40012004 ODKVLAFUBJWSBS-GOSISDBHSA-N 386.459 2.994 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 40158725 BLXOOYZHUUHPRT-SFHVURJKSA-N 384.407 2.987 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 40107083 AUVYJYNBBSDSTR-UHFFFAOYSA-N 387.392 2.913 0 40 GFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccsc2)CC1 30541920 YYLQYOQKNCOJCN-QGZVFWFLSA-N 391.562 2.908 0 40 GFAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 30660211 BJUJBRCNLCJYJQ-GOSISDBHSA-N 378.432 2.953 0 40 GFAB COc1cccc(-c2nc(Cn3nnc(-c4ccc(C(N)=O)cc4)n3)cs2)c1 31763424 MWJROAAWIGLINC-UHFFFAOYSA-N 392.444 2.619 0 40 GFAB COC(=O)c1cc(I)cc(C)c1NC(=O)C(F)(F)F 40564591 ZZWIPONZAKKGFM-UHFFFAOYSA-N 387.095 2.887 0 40 GFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCNC(=O)c1ccccc1Cl 102201302 DSNVTXLYYVJOMB-JKIFEVAISA-N 394.899 2.944 0 40 GFAB O=C(CCC1CCCC1)NCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 102324938 LWDHFGUSVJTYLD-UHFFFAOYSA-N 398.507 2.580 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c1 905367 SZUCOLZPKVIPOF-UHFFFAOYSA-N 386.433 2.983 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(F)c2)c(OC)c1 1357527 UBLUIHASNZZFIR-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB COCC(=O)N(CCc1ccccc1)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 1358956 FDWFQBYEJMFRBE-UHFFFAOYSA-N 385.489 2.819 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 2628822 JLFBBQTZDNICGL-UHFFFAOYSA-N 379.438 2.938 0 40 GFAB CCCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 4250964 LMQLGEWKSOBFJD-UHFFFAOYSA-N 379.464 2.533 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCCCC2)cc1C 4938310 COGGBILUHPIBHT-UHFFFAOYSA-N 382.526 2.807 0 40 GFAB COCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 5017797 DMDLHAHTZLYAIP-LSDHHAIUSA-N 398.385 2.928 0 40 GFAB Cc1cc(C)c(NC(=O)COC(=O)Cn2nc(-c3ccccc3)oc2=O)c(C)c1 5240570 WZNWKKSSYRISLM-UHFFFAOYSA-N 395.415 2.610 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1ccc2c(c1)OCCO2 5420543 AIOCZNOFLSXWRO-UHFFFAOYSA-N 386.473 2.922 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 6315121 UZPINFLZQQXKRI-SSDOTTSWSA-N 387.093 2.525 0 40 GFAB COc1ccc(C(=O)[C@@H](CCC(=O)c2ccc(O)cc2)S(C)(=O)=O)cc1 6411179 ODPIBGNNQBZCSA-GOSISDBHSA-N 376.430 2.660 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2cccs2)C(C)C)c1 6664196 QQQBTHCVAVDLCV-KRWDZBQOSA-N 376.478 2.836 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccc(F)cc1 6678747 BDFMRRSTBDGSBS-UHFFFAOYSA-N 399.403 2.644 0 40 GFAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(Br)cc1F 7203189 PLQOMYVGFGHTNP-LURJTMIESA-N 386.250 2.662 0 40 GFAB O=C(COC(=O)c1ccc(-n2cncn2)cc1)N[C@H]1CCCc2ccccc21 7280171 VSBJQPZAXXTFDL-IBGZPJMESA-N 376.416 2.618 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)NCCSCc1ccccc1 7642696 DJLKHOGXITULOD-UHFFFAOYSA-N 397.294 2.822 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 7737073 MCLYWKDZLBPOIX-HOTGVXAUSA-N 398.434 2.867 0 40 GFAB CC(C)(C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996209 QWACQFRJBZKVHN-UHFFFAOYSA-N 385.464 2.585 0 40 GFAB CN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1ccc(Cl)cc1 9156137 VQQJYKFAGSHMPC-UHFFFAOYSA-N 398.916 2.630 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1 10010078 OTYTXJRUWNGAQR-UHFFFAOYSA-N 390.530 2.880 0 40 GFAB CCc1c(C)noc1-c1cnc(N(C)CCN(C)C)nc1-c1cnc(C)cn1 12156503 JZBBMFNZYGKKAC-UHFFFAOYSA-N 381.484 2.766 0 40 GFAB Cc1nc(NC(=O)c2cc(Br)ccc2-n2cnnn2)sc1C 12389233 NPAUHBJSXWIHMG-UHFFFAOYSA-N 379.243 2.750 0 40 GFAB O=C(NCCCn1cnc2ccccc21)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 12559500 VYFHGRHDCUVUPW-FQEVSTJZSA-N 389.459 2.777 0 40 GFAB NC(=O)Cn1c(CSc2ccc(C(F)(F)F)cn2)nc2ccccc2c1=O 12588447 XMDQJPKLMQYPAD-UHFFFAOYSA-N 394.378 2.588 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 12623171 ROYPCAJCGFWWGA-UHFFFAOYSA-N 386.279 2.763 0 40 GFAB COC(=O)CN1CCN(c2ncnc3cc(-c4ccc(OC)cc4)sc23)CC1 12853283 JHZYJJWRDXBAEN-UHFFFAOYSA-N 398.488 2.662 0 40 GFAB CCCC[C@]1(C)NC(=O)N(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1=O 13040393 DMYKWEAIWFHPSX-NRFANRHFSA-N 397.479 2.928 0 40 GFAB CSCC[C@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1=O 14016193 QCEHCDXPSUGXJW-SUMWQHHRSA-N 385.489 2.691 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 15990633 HOFYWLDDDNDMHU-UHFFFAOYSA-N 376.453 2.882 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccc3Cl)C2)c2nccnc21 19021588 SACJJKJDZRKCDU-INIZCTEOSA-N 398.898 2.605 0 40 GFAB COc1ccc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c(OC)c1 19356947 AUEOJBUZPWEGJM-GOSISDBHSA-N 395.419 2.712 0 40 GFAB COc1ccc(-c2csc(CCNC(=O)c3cc4c([nH]c3=O)CCC4)n2)cc1 19558446 REDJSIUBLQSVLC-UHFFFAOYSA-N 395.484 2.968 0 40 GFAB COc1ccccc1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19590396 FNYWZBSMSKOZTQ-GOSISDBHSA-N 394.519 2.812 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1 20016320 RWRVYVOQCFPXFC-LLVKDONJSA-N 384.404 2.669 0 40 GFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccccc1)=C2C 20063929 CNCZQRUMKXVYPK-UHFFFAOYSA-N 388.445 2.853 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)NC(C)=O)cc1 21305440 AFLQTWZEUSOWPB-KRWDZBQOSA-N 398.415 2.833 0 40 GFAB COc1ccc(C[C@@H](NC(=O)c2ccc(O)nn2)c2ccc(OC)cc2)cc1 23951155 YISVDKGLFVXWMJ-LJQANCHMSA-N 379.416 2.913 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 25225835 SPKPOIIYFSIADW-LBPRGKRZSA-N 385.449 2.989 0 40 GFAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 25621854 DPUGRBNLDVAYJF-CQSZACIVSA-N 385.489 2.744 0 40 GFAB CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2sccc2c1=O 25791289 RUGBIILMCGCSQY-UHFFFAOYSA-N 398.488 2.644 0 40 GFAB NC(=O)c1ccccc1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 25912238 PYKQBPPYWWCQHJ-UHFFFAOYSA-N 386.883 2.590 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 26053466 ZJZBVFIBQLLFFE-OXJNMPFZSA-N 376.522 2.933 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1C 26844412 ASVULSBYJKIIJI-UHFFFAOYSA-N 378.469 2.962 0 40 GFAB CCN1CCN(c2ccc(NC(=O)CNC(=O)C3CCCCC3)c(C)c2)CC1 26908701 VWTWRHREUBMYMT-UHFFFAOYSA-N 386.540 2.772 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(-c2nnco2)c1 27110792 JZPFVTVBLKJUAM-UHFFFAOYSA-N 378.388 2.881 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 27499210 HTKHCJJFWUELCC-LJQANCHMSA-N 399.491 2.752 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 29600253 IVMGSLLVSGAVQX-HNNXBMFYSA-N 378.469 2.762 0 40 GFAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 30882082 JWHQEKGZLNROPP-ULQDDVLXSA-N 379.526 2.814 0 40 GFAB biogenic,in-vitro COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 32901831 XTBJWDFPCUENQC-KRWDZBQOSA-N 394.427 2.907 0 40 GFAB COc1ccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc2c1 33809265 KEQJECOHIYVWED-UHFFFAOYSA-N 383.400 2.791 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1snnc1-c1ccc(OC)cc1 36359289 PIUJUNVLYQQMDL-INIZCTEOSA-N 397.456 2.728 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(c2ccccc2)CC1 36392669 ZRLUXBFQKVYJLR-UHFFFAOYSA-N 398.507 2.830 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)ccc4[nH]3)CC2)cc1 38489502 VQSZAIFYTRZXNF-UHFFFAOYSA-N 398.488 2.585 0 40 GFAB Cc1nc2n(c(=O)c1C)CN(CCCO)CN2c1cc(Cl)cc(Cl)c1 38830197 PTTFXTGPRMFCOC-UHFFFAOYSA-N 383.279 2.918 0 40 GFAB O=C(NCCCn1ccc2ccccc21)[C@H]1CC(=O)N(Cc2ccccn2)C1 46025149 VCUWVPATUAKDIR-SFHVURJKSA-N 376.460 2.591 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 48066034 FWILCURGPSGSGA-UYDKOKGTSA-N 389.496 2.882 0 40 GFAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)c2n1 48237511 OLYQRFCPKSLGCL-GJZGRUSLSA-N 380.452 2.607 0 40 GFAB CN1CCN([C@@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccc(F)cc2)CC1 49490327 QQLWSTOGXGTOCX-SFHVURJKSA-N 398.438 2.792 0 40 GFAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)c1 58264395 LWXKKKJBBHUTTE-JSGCOSHPSA-N 379.888 2.921 0 40 GFAB Cc1nc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)sc1CC(N)=O 58378210 SFIRFNZFAHEPAP-CMPLNLGQSA-N 375.519 2.938 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCC1)C2=O 71328866 BFMWVXIYDKAYLE-QGZVFWFLSA-N 386.448 2.543 0 40 GFAB CCSc1ncc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cn1 72339913 JAUCMPGQNVHZOB-UHFFFAOYSA-N 380.477 2.705 0 40 GFAB O=C(c1cc(C2CCCCC2)no1)N1CCc2nnc([C@H]3CCCCN3)n2CC1 72372825 DFMGZHRPWBDVQL-MRXNPFEDSA-N 398.511 2.827 0 40 GFAB CC(C)OC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F 79023612 BVIKQLBBWWPNRY-UHFFFAOYSA-N 394.827 2.704 0 40 GFAB CCS(=O)(=O)CCn1ccc(NCc2cc(Br)ccc2F)n1 84811067 PCKAVAXOAGSTLY-UHFFFAOYSA-N 390.278 2.832 0 40 GFAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc2c(=O)[nH]c(S)nc2c1 89851122 ZXFMAFQRQZHZHJ-UHFFFAOYSA-N 378.413 2.797 0 40 GFAB O=C(c1ccccc1Br)N1CCCSC[C@@H]1CN1CCOCC1 90609058 KZYVGSBYFNBLQU-AWEZNQCLSA-N 399.354 2.729 0 40 GFAB CN1CCN(c2ccc(C(=O)N[C@H](c3ccn(C)c3)C(F)(F)F)cc2F)CC1 95431794 VFBOGRFJYFHVIO-QGZVFWFLSA-N 398.404 2.949 0 40 GFAB CC(C)c1cc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)on1 95460712 JGIRSPXWNSYKMR-UHFFFAOYSA-N 396.444 2.700 0 40 GFAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1nc2ccccc2n1C 95478055 IISZDQTWZVGZEY-MRXNPFEDSA-N 398.536 2.830 0 40 GFAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)c1ccccc1 96296350 ZZQBCTUCXJYFSD-INIZCTEOSA-N 377.400 2.608 0 40 GFAB biogenic,in-vitro Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@@H](C)CCCC(C)C)[C@@H]4C2=O)no1 101440534 XCLJIXXMLYMVTE-QRMQHYBJSA-N 387.480 2.600 0 40 GFAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3SCC(=O)O)cc1 103316264 RAIPFMXXJBLVON-LJQANCHMSA-N 396.428 2.680 0 40 GFAB CON1C(=O)[C@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104137687 MIUSIGVYOUEARI-KYUMBNEZSA-N 399.872 2.995 0 40 GFAB Cn1cc(CC(=O)N2CC[C@H](S(=O)(=O)Cc3ccco3)C2)c2ccccc21 206692986 ONNDNNZZOQFRIL-KRWDZBQOSA-N 386.473 2.530 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)ccc21 223075213 RVLKCFBKUOHIPN-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223205089 VHHZEGVBKRZPDY-PMACEKPBSA-N 399.564 2.598 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)c1 223749622 AHAMKECDUHZLMR-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB C[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(F)cc1 223969194 ORUFKVNWPRCKOI-VIFPVBQESA-N 386.474 2.701 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C 225040629 RSDOBQJNAVIHOB-UHFFFAOYSA-N 391.474 2.532 0 40 GFAB COc1ccc(OCC(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)cc1 226323422 XZWOHWPROWEDFX-BJMVGYQFSA-N 386.429 2.685 0 40 GFAB CCOc1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC 254442233 ZTROBHRZBYQYLP-UHFFFAOYSA-N 397.431 2.912 0 40 GFAB Cc1ncc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccncc4)C3)n2)n1C 257335321 YJRSEKPPPQSZEV-MRXNPFEDSA-N 376.464 2.675 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(NCc4ccccc4)cn3n2)C1 306139306 SUGHTTWCSGWHNH-QGZVFWFLSA-N 399.520 2.871 0 40 GFAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(C)CC2)cc1 408675438 IQVSUIPEMKAXJQ-UHFFFAOYSA-N 377.444 2.572 0 40 GFAB O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@H]1COc1ccc(F)cc1 510795469 FNEKLCHYQMSKFL-ZDUSSCGKSA-N 389.399 2.519 0 40 GFAB Cc1oc2ccccc2c1CCNC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 572933778 CTIGOGMEBWUGFO-FQEVSTJZSA-N 390.505 2.894 0 40 GFAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccc2nsnc2c1 575612006 JTEWRJJKNNGXHM-HXUWFJFHSA-N 383.473 2.736 0 40 GFAB COc1ccc2c(CC(=O)N3CC[C@@H](N4CCN(C(C)C)CC4)C3)coc2c1C 601312387 HGLNXWKOXQWBJC-LJQANCHMSA-N 399.535 2.919 0 40 GFAB Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)CCc1ccccc1Cl 656952341 OVESRRMJIHSMAK-QGZVFWFLSA-N 397.928 2.636 0 40 GFAB CC(C)(NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCC1CCCC1 676354330 LNMHXAOLSLFEIF-UHFFFAOYSA-N 376.881 2.842 0 40 GFAB OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc(NCC3CC3)ncn2)CC1 677501882 KJVHBWNAIUAEEL-SFHVURJKSA-N 387.915 2.808 0 40 GFAB C[S@](=O)c1ccc(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1 1123650111 YMAPLIHSWWSVGI-PTFIGZPYSA-N 380.416 2.505 0 40 GFAB O=C(NCC1(N2CCOCC2)CCSCC1)c1cccc(Br)c1 1775975227 CWYRLSVKFIWXEU-UHFFFAOYSA-N 399.354 2.777 0 40 GFAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3ccnnc3)CC[C@H]21 2037988687 DTWGRXPVTLDWGY-LEWJYISDSA-N 394.519 2.931 0 40 GFAB C[C@@]1(C(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)CC=CCC1 2055835270 IXPFEMXPBKCYHF-FGZHOGPDSA-N 396.491 2.582 0 40 GFAB O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 670691 AADDMZBEYPPMNY-UHFFFAOYSA-N 388.445 2.812 0 40 GFAB CCOC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(OC)c(OC)c1 949442 JZNSIOXRZDFFFV-GWCFXTLKSA-N 381.475 2.871 0 40 GFAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2414317 QUDLZXRYDTUMMH-FYWNELHYSA-N 385.460 2.882 0 40 GFAB COC(=O)CSc1sc(C(=O)OC)c(N)c1NC(=O)c1ccc(C)cc1 2704465 ZVIYIZMVEDOHNI-UHFFFAOYSA-N 394.474 2.943 0 40 GFAB O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccc2c(c1)OCO2 2975997 FDTKKSYZVOHJMP-UHFFFAOYSA-N 397.456 2.673 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)c1C 3365476 NPTRAPAHEVNRGC-UHFFFAOYSA-N 386.404 2.806 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(C)cc1 3496851 RVEUXFRLBXQJKZ-UHFFFAOYSA-N 383.477 2.778 0 40 GFAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2)c1 4710857 BFNAIFAUYKXSJS-UHFFFAOYSA-N 395.459 2.784 0 40 GFAB O=C(CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1)N1CCOCC1 4967993 XMJBFEIXLZBHFF-UHFFFAOYSA-N 395.488 2.644 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 5087095 NRJCFVBBMQQPBN-IAGOWNOFSA-N 395.503 2.951 0 40 GFAB O=C(COc1cc(Cl)cc(Cl)c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 5506389 BVINBTPPHAQCDZ-CYBMUJFWSA-N 378.277 2.550 0 40 GFAB CC(C)CN(C(=O)CSc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 5627260 QILVHQAWBCOLGB-INIZCTEOSA-N 392.546 2.999 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1 6081745 YHSPZNRMJXAWOO-WMZOPIPTSA-N 380.444 2.769 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)c2ccc3ccccc3n2)c(=O)[nH]c1=O 6589574 GPMSOIOFNCMPNQ-UHFFFAOYSA-N 395.463 2.524 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccs1)n2CCC 6648322 CXVUHFHVERWABQ-UHFFFAOYSA-N 390.465 2.515 0 40 GFAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)N1CCN(c2ccccc2)CC1 6673431 CPDMTOIFSILELD-UHFFFAOYSA-N 385.851 2.987 0 40 GFAB CNc1c(NS(=O)(=O)c2cc(OC)ccc2OC)c(=O)oc2ccccc12 6784646 GSJDLAMEAMNSMH-UHFFFAOYSA-N 390.417 2.653 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(O)cc2)c1 7035990 AEHHURSKLBXBHD-LBPRGKRZSA-N 383.433 2.690 0 40 GFAB COc1ccc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 8499987 ZOKPTAUTJSXWHE-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB CC(=O)c1ccc(NC(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)cc1 8587753 BDNWNAWYNQPKAM-UHFFFAOYSA-N 397.456 2.700 0 40 GFAB Cc1ccccc1NC(=O)CSc1nnc(N2CCOCC2)n1CC(C)C 8937685 DWJOYRIJGNLATH-UHFFFAOYSA-N 389.525 2.810 0 40 GFAB C/C(NN1CCCCCC1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9359332 LWCXZLQFCBHKRH-NTCAYCPXSA-N 376.844 2.577 0 40 GFAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)nc2n1 10546456 AKRLXUPLCFFZNC-AWEZNQCLSA-N 375.436 2.637 0 40 GFAB COc1ccc(CNC(=O)Cn2nc(C)n3c(cc4sc(C)cc43)c2=O)cc1 12115345 QAIAYAJRKHUGGK-UHFFFAOYSA-N 396.472 2.653 0 40 GFAB COc1ccc(C(=O)NCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1OC 12731174 MYDGCLICUODOGS-GFCCVEGCSA-N 392.402 2.931 0 40 GFAB C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)c(F)c1 12891117 RHDGNKFPXSSVMT-LAJNKCICSA-N 399.397 2.751 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)NCc2cc(OC)ccc2OC)CC1=O 12896374 AYAQFOLBLJNBJU-KRWDZBQOSA-N 382.460 2.936 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C 13074078 HQYPKGMWQOZSPZ-UHFFFAOYSA-N 397.475 2.989 0 40 GFAB NC1=NC(SCC(=O)NC2CCCCC2)=N[C@@H](c2c[nH]c3ccccc23)N1 13579112 JTSCVNNSRAOCAO-KRWDZBQOSA-N 384.509 2.623 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 14085097 MRNQIWDCTGZPLO-ZDUSSCGKSA-N 391.493 2.893 0 40 GFAB Cc1nc(N2CCN(CC(=O)NC3CC3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 14241090 JUELXNKQABNQRZ-CYBMUJFWSA-N 399.564 2.525 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(OCC(F)(F)F)nc1 14284536 DZMJVAMUFBQBGE-UHFFFAOYSA-N 382.338 2.766 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 15245344 DJWZGUMJBNDJOQ-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB COc1cc(OC)cc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)c1 15949624 VHIZZOXTDQYMON-UHFFFAOYSA-N 380.444 2.750 0 40 GFAB Cc1cnc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cn1 15965660 QLPRSZLQIIUSKZ-UHFFFAOYSA-N 389.458 2.891 0 40 GFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 18141186 NCBMYTSFKJNSSQ-RLFYNMQTSA-N 394.475 2.792 0 40 GFAB C[C@H]1CCN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C 19366295 DXHCKJUCLLXPRL-FQEVSTJZSA-N 396.531 2.882 0 40 GFAB COc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 20244610 GLWXMEPDUPSXID-UHFFFAOYSA-N 391.493 2.564 0 40 GFAB Cc1cc(C)cc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 22329114 KEYBPNPYMCMRCU-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 22331197 DRURHRVRFLMQFV-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB COc1ccccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 22362734 MUNNYJVVZWCRKU-QGZVFWFLSA-N 388.489 2.655 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 22760163 QFGBFXNIMLTYSB-SFHVURJKSA-N 399.516 2.678 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@@H]3N=NN(c4ccc(Cl)cc4)[C@H]3C2=O)c1 23125751 JPSSDIFFXCRXLR-HZPDHXFCSA-N 386.795 2.855 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 24148532 NAEMVPHSUFILHZ-FQEVSTJZSA-N 396.466 2.824 0 40 GFAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc2ccccc2oc1=O 28292981 KFUVOKOOPJOOBW-LJQANCHMSA-N 378.428 2.596 0 40 GFAB Cn1c(SCCCOc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 32739601 FJEYMKREYFTBHC-UHFFFAOYSA-N 377.491 2.782 0 40 GFAB Cc1ccc(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2c1[C@@H](C)CC2=O 32759426 SLTMOWGIHAZCNS-NSHDSACASA-N 387.413 2.898 0 40 GFAB COc1cccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1 32827687 FMVPLOZEHZZODN-UHFFFAOYSA-N 381.520 2.562 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 32892240 SKXGXRNPSHJOKY-CQSZACIVSA-N 383.423 2.957 0 40 GFAB CC(=O)c1cccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 32976363 YAFVJYKYUXQZJJ-UHFFFAOYSA-N 381.476 2.967 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1C 40056904 VHKICXSNZIHDFD-UHFFFAOYSA-N 376.416 2.811 0 40 GFAB Cc1nc(S)sc1CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 40072298 KWMWRFRSFQMYKV-UHFFFAOYSA-N 381.567 2.924 0 40 GFAB Cn1ccnc1Sc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 40104364 ZZOKKWOVOIGPBV-UHFFFAOYSA-N 395.492 2.715 0 40 GFAB COc1cc(OC)cc(C(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)c1 40386352 MVXVNVYRUCNAAV-IBGZPJMESA-N 394.427 2.886 0 40 GFAB CN(C)CCCn1ccc2nc3ncnn3c(-c3ccccc3Cl)c2c1=O 40398061 KZHMEQCLIHGTCK-UHFFFAOYSA-N 382.855 2.711 0 40 GFAB CC(C)(C)c1ccc(NC(=O)CSc2nn3c(=O)c(F)nnc3s2)cc1 41104856 KBTQHTXHPQHYMK-UHFFFAOYSA-N 393.469 2.713 0 40 GFAB CN(CC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 43780193 CFVRFFPSIJSGPB-UHFFFAOYSA-N 386.395 2.642 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 44880156 UJNVVFSKQKXBFK-QGZVFWFLSA-N 378.538 2.795 0 40 GFAB Cc1ccsc1C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 47232095 IMZFJXXBTCMUER-UHFFFAOYSA-N 375.469 2.664 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ncccn2)cc1 48202680 ULTABUCSIGLCQO-UHFFFAOYSA-N 388.383 2.894 0 40 GFAB COC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1 48310132 NGIHCVLJTWGXSU-UHFFFAOYSA-N 383.448 2.910 0 40 GFAB CCOC(=O)c1ccc(OS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 55953655 FJUFSMHPPCWVDO-UHFFFAOYSA-N 389.429 2.906 0 40 GFAB O=C(NCc1ccccc1-n1ccnc1)NC1CCN(C(=O)c2ccoc2)CC1 56895103 UDKJAYNADYUKIX-UHFFFAOYSA-N 393.447 2.569 0 40 GFAB NC(=O)[C@@H]1CCCN(CCCNC(=O)c2ccccc2Oc2ccccc2)C1 58310465 QLOHDGSMABCJNL-QGZVFWFLSA-N 381.476 2.796 0 40 GFAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)Nc1cccc(Cn2cccn2)c1 65591813 HFHLDUXKZDHANE-HNNXBMFYSA-N 395.385 2.606 0 40 GFAB COc1ccc(Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)cc1 67259945 VXTBHWGQANVZOO-UHFFFAOYSA-N 381.823 2.747 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cccc3ccccc23)cc1 70636073 SSISHUWSCUOGAS-FQEVSTJZSA-N 398.484 2.554 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cc(OC)c(O)c(OC)c1 71281234 LPHGIELAURFSHI-LBPRGKRZSA-N 389.408 2.601 0 40 GFAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 71283619 XKALWDUSHQMTDB-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)c1nnnn1-c1ccccc1 71853557 CIBTZGIPAJDXCX-AWEZNQCLSA-N 394.460 2.590 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)cc1 72324215 PXRYGMBNXULQAS-CQSZACIVSA-N 393.486 2.818 0 40 GFAB CSc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)c1 72325854 UAPLTNULDCGMBK-SFHVURJKSA-N 395.484 2.998 0 40 GFAB biogenic Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NC(C)C 72369611 DVVAPASLBHJWNU-QGZVFWFLSA-N 397.523 2.529 0 40 GFAB CC(C)C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1nc(-c2nc[nH]n2)no1 89821053 PBHGPCYTNPJHHD-CQSZACIVSA-N 382.424 2.721 0 40 GFAB Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 95939906 QEJJIMKPLXDJEI-UHFFFAOYSA-N 399.310 2.857 0 40 GFAB CC[C@](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)(C(=O)O)c1ccccc1 95970009 RPWOHMPOOLBEHG-GOSISDBHSA-N 395.864 2.863 0 40 GFAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 96225907 GQDBQXMRFVBMIN-JOCHJYFZSA-N 378.476 2.769 0 40 GFAB O=C(c1ccccc1)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244218 AKRSTMPCUVSIMD-JOCHJYFZSA-N 390.443 2.996 0 40 GFAB Cc1ccc(C(=O)N2CCc3nc(-c4cnn(C)c4)nc(NC(C)C)c3C2)cn1 96254312 FWZNCMIJHIJGDQ-UHFFFAOYSA-N 391.479 2.599 0 40 GFAB Cc1nc2nc(NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)ccc2c(C)c1C 100752412 CQELETFMCUAFBD-KODHJQJWSA-N 392.459 2.525 0 40 GFAB COc1cc(CN2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cc(OC)c1OC 100773123 JIAYDAIMXLLOBF-IAGOWNOFSA-N 388.508 2.793 0 40 GFAB O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)N1CCCCC1 101663436 JAYJDNGAUOGCSR-FZWBFHRNSA-N 376.456 2.870 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222447602 AMRIJRABFOGYHO-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223047599 FOKTWEOGOJFVSQ-FCHUYYIVSA-N 380.488 2.942 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 224105723 ARSDPLWCXVYXOR-UHFFFAOYSA-N 390.505 2.816 0 40 GFAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c(OC)cc1Cl 224680271 DPPPTMCBIWMQEZ-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB CCCCCNC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225642386 XVKIBNAWMMMFIW-UHFFFAOYSA-N 382.526 2.719 0 40 GFAB COC[C@]1(C(N)=S)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242574918 NJKCGWPFHISCLX-SCTDSRPQSA-N 375.515 2.854 0 40 GFAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 527781822 ZDAVLCMDYQZQPR-HNNXBMFYSA-N 394.523 2.981 0 40 GFAB O=C(Cn1ccc(C(F)F)n1)NC1CCN(C(=O)CCc2ccccc2)CC1 528004749 WWIACGMOTBFARB-UHFFFAOYSA-N 390.434 2.561 0 40 GFAB CC(=O)N1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)c2ccccc21 534572271 KIGLKZVYFISOCX-IRLDBZIGSA-N 391.471 2.574 0 40 GFAB CN(C)c1cccc(C(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)c1 585147185 WEPUIDSNBYMPOY-OAHLLOKOSA-N 391.269 2.599 0 40 GFAB CC[C@]1(O)CCCN(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)C1 637287894 BRNKAERPNKJIHC-CTNGQTDRSA-N 376.497 2.829 0 40 GFAB CC(=O)N1CC(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2F)C1 644320415 GPFIGDSTNBHGOL-UHFFFAOYSA-N 380.416 2.807 0 40 GFAB CC(C)O[C@@]1(Cn2nnnc2Cc2ccc(Br)cc2)CCOC1 657249333 KQCUOHFZUQAJEN-MRXNPFEDSA-N 381.274 2.611 0 40 GFAB CCCn1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 1615157879 OKQRUAHFYWFGHA-JOCHJYFZSA-N 396.491 2.721 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC[C@@H](COc3ccnc(C)c3)C2)c1 1775971638 SAQBCWBGJJGGHL-MRXNPFEDSA-N 376.478 2.878 0 40 GFAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(c2ccc3nncn3n2)C1 1776001153 BKNVECGTHWXXEI-LBPRGKRZSA-N 378.358 2.834 0 40 GFAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1ccccc1C(F)(F)F)CCO2 2037983843 IDNMZVQWAZDLNP-GOSISDBHSA-N 386.414 2.544 0 40 GFAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)/C=C/c2cccs2)C1 2055718051 YGFIHUMEVBJYIO-AOQOKJQHSA-N 383.473 2.801 0 40 GFAB COCC(=O)OCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1C 2061000048 YFOQWRZOHVYPAV-UHFFFAOYSA-N 382.368 2.863 0 40 GFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc(C)c3)ccc12 2712206 SWCHNXNZICRPLB-UHFFFAOYSA-N 394.427 2.891 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3466763 UVMUHOYMCFONBP-QGZVFWFLSA-N 391.471 2.883 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C(C)C 3522092 RBYLYWZQRUQOLG-GFCCVEGCSA-N 391.497 2.861 0 40 GFAB CCOc1ccc(S(=O)(=O)c2c[nH]c3cc(OC)c(OC)cc3c2=O)cc1 4169925 LSWLDXQSXQEANG-UHFFFAOYSA-N 389.429 2.777 0 40 GFAB O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CCC3)CO[C@H]12 4235413 GATUMBHDCUJUII-MTQWCTHYSA-N 396.443 2.839 0 40 GFAB biogenic,in-vitro Cc1c(C)n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2[nH]c1=O 4250472 IEXFOWTULJDAIX-UHFFFAOYSA-N 397.382 2.784 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4338036 NVTSUDBFZGAADK-CKEIUWERSA-N 396.390 2.661 0 40 GFAB COc1ccccc1NC(=O)Cn1ccn(-c2cc(Cl)ccc2C)c(=O)c1=O 4569984 GXQQZEQBACRGAK-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 4593305 RSGURPYXAJJYPG-ISHFTEKXSA-N 393.414 2.851 0 40 GFAB CCOc1cc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC 5213319 XWPBVQSGVZPUDF-UHFFFAOYSA-N 386.404 2.848 0 40 GFAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1 5240470 ASDKEJDJSGVANV-UHFFFAOYSA-N 387.417 2.791 0 40 GFAB CCOc1ccc(C(=O)[C@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 5755105 MIXKSEQQOSLOKB-ZDUSSCGKSA-N 380.400 2.679 0 40 GFAB CCN1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 6517662 XCWKPLJKBXZNKL-UHFFFAOYSA-N 398.532 2.721 0 40 GFAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ncn[nH]1 8074220 OEHRGFKTLKQHNM-UHFFFAOYSA-N 383.481 2.991 0 40 GFAB Cc1cc(C)c(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 8394563 OYZUYQXLDNEOEH-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1-n1cnnn1 8395027 OZROMNVWNUJHHK-UHFFFAOYSA-N 392.400 2.767 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)CCc3nc(-c4cccnc4)no3)c2c1 8764846 CGGWWDZPSRGOLG-UHFFFAOYSA-N 391.431 2.913 0 40 GFAB biogenic COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 8782407 RFTBTENWPAMMFW-MRXNPFEDSA-N 397.450 2.536 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1 8987234 IUVQANSIIMMMEU-UHFFFAOYSA-N 388.855 2.807 0 40 GFAB COc1cccc2sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 10252546 BVGOMFALESHKNH-UHFFFAOYSA-N 376.459 2.890 0 40 GFAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 12146657 PGXMLVMNWFCICX-UHFFFAOYSA-N 378.310 2.743 0 40 GFAB C[C@H](CC(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1ccnc1 12220669 KXGGTRQPRFAFOQ-TVTNDZMWSA-N 396.491 2.855 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(F)cc2)NC(=O)N3)cc1 12345940 ZJDPBUYUKRLKCR-LJQANCHMSA-N 381.407 2.527 0 40 GFAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 12526185 QEGANXMETBLASQ-UHFFFAOYSA-N 378.834 2.651 0 40 GFAB O=C(NCC1CC1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12528082 JJWJUYCXAISVBK-UHFFFAOYSA-N 381.885 2.961 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCC(C)C)cs2)cc1 12628211 RFLAYBRNXBZUEO-UHFFFAOYSA-N 383.495 2.728 0 40 GFAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NC[C@H]1CCCO1 12822322 LKOWESHMEPGOIL-OAHLLOKOSA-N 395.381 2.986 0 40 GFAB COC(=O)c1cc(CNC(=O)Cc2csc(-c3ccccn3)n2)ccc1OC 12981839 RBIZYXRICPXOQM-UHFFFAOYSA-N 397.456 2.859 0 40 GFAB CC[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1 13039054 KVGAOHXVMPIBMN-CYBMUJFWSA-N 382.507 2.867 0 40 GFAB O=C(CCCc1ccccc1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13689404 IRHHMXIAXZMENH-UHFFFAOYSA-N 387.443 2.748 0 40 GFAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O 13711237 LCLOLIDUBVRUNP-OAHLLOKOSA-N 376.434 2.599 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(I)c1 15646313 SLZAFMQLPZAMHT-UHFFFAOYSA-N 391.172 2.519 0 40 GFAB Cc1cccc(CNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)c1 15858583 QKTODHLZGSIHEO-UHFFFAOYSA-N 386.473 2.628 0 40 GFAB C[C@@H](c1cccs1)N(C)CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 16435289 YZOLQFXLZPFNOJ-LSDHHAIUSA-N 396.534 2.550 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1 17260298 FOBMQYCVIXNDDZ-UHFFFAOYSA-N 397.880 2.668 0 40 GFAB CC[C@H]1CCCCN1C(=O)Cn1nnc(-c2cccc(C(=O)OC(C)C)c2)n1 18664563 KPNNRNAEFZPUEU-KRWDZBQOSA-N 385.468 2.696 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(O)cc(-c4cccs4)n3)C2)c(=O)[nH]1 19131441 DITFPJBTLPFIRO-ZDUSSCGKSA-N 396.472 2.927 0 40 GFAB COc1ccc(CN(Cc2cnn(C)c2C)C[C@@H]2CCCO2)c(OC)c1OC 19553532 VEPMDRGYQCOMDJ-SFHVURJKSA-N 389.496 2.936 0 40 GFAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3ccnn3C)C2)c1 19695029 XONJKHWCWVCTBF-KRWDZBQOSA-N 392.507 2.941 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](c3cc(COc4ccccc4F)[nH]n3)C2)cn1 19704495 UGSVBOFBDGBAFG-CQSZACIVSA-N 381.411 2.856 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230629 CRCZHPLFPNLFSH-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 22529661 GSIHPHZRUYGILV-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB CCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c3c(cnc21)C(=O)CCC3 22610572 XHOCPWFQLIMPHN-UHFFFAOYSA-N 383.835 2.799 0 40 GFAB Cc1cccn2c(=O)cc(CSc3nnc(NC[C@@H]4CCCO4)s3)nc12 23675239 UJGGFDSIFDCKJL-ZDUSSCGKSA-N 389.506 2.738 0 40 GFAB CCN(Cn1nc(-c2cccc(Cl)c2)oc1=S)[C@H]1CCS(=O)(=O)C1 24193304 HOWBKKTVLLFINE-ZDUSSCGKSA-N 387.914 2.992 0 40 GFAB CCc1nn2c(=O)cc(CNc3ccc(CC(=O)NC(C)(C)C)cc3)nc2s1 25741484 PCAQBZLRKBGVOU-UHFFFAOYSA-N 399.520 2.783 0 40 GFAB CCn1cnnc1SCc1nnc(C(=O)NCc2ccc(F)cc2)s1 26112665 YFFHAODYVBPAEF-UHFFFAOYSA-N 378.458 2.511 0 40 GFAB C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCCc2ccccc21 32707900 VAUPSNFLYXKURP-CQSZACIVSA-N 387.457 2.615 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)COc1cccc2ccccc12 32850769 FIGHPTFESNBGJC-UHFFFAOYSA-N 386.429 2.513 0 40 GFAB Cc1ccc([C@H](NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C2CC2)cc1 32865771 GCDXYKKDMLVOQG-FQEVSTJZSA-N 386.517 2.968 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C)C1 34706384 WLIUZWVUOPRDGB-JHJVBQTASA-N 391.443 2.920 0 40 GFAB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)cc1 35572310 ZDNPORUVXOZBDA-FQEVSTJZSA-N 394.471 2.913 0 40 GFAB CCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2cc(F)ccc2F)cc1 35595030 XAPMCDWHCWXGHR-UHFFFAOYSA-N 390.390 2.865 0 40 GFAB CCOC(=O)c1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)[nH]n1 36613101 CWVAACDYGSRLIY-UHFFFAOYSA-N 387.343 2.806 0 40 GFAB Cn1cc(-c2nc(C(=O)NCc3ccccc3Cn3cccn3)cs2)cn1 40144156 XHWIHBUFCNNBCV-UHFFFAOYSA-N 378.461 2.718 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1csc(-c3cnn(C)c3)n1)CC2 44849927 YCKWHJCSSMXIKU-UHFFFAOYSA-N 384.461 2.759 0 40 GFAB CN(C)c1ccc(CCCNC(=O)Cc2csc(-c3ncccn3)n2)cc1 47306013 VJJHQKJQOLITSG-UHFFFAOYSA-N 381.505 2.958 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)o3)CC2)c1 51163242 MLGJWGDINBAKPW-UHFFFAOYSA-N 376.478 2.788 0 40 GFAB Cc1cccc(Cn2cccc(C(=O)OCc3cccc(C(N)=O)c3)c2=O)c1 58200908 QMLYFYHKJISJNZ-UHFFFAOYSA-N 376.412 2.661 0 40 GFAB CCOC(Cn1cc(C(=O)N[C@H]2CCSc3ccccc32)nn1)OCC 58246894 ZWPZMOORUWCKMA-AWEZNQCLSA-N 376.482 2.644 0 40 GFAB COc1ccccc1[C@H]1[C@@H](N2CSCC2=O)C(=O)N1CCc1ccccc1 58266642 BKKUSWJCCHMBDY-VQTJNVASSA-N 382.485 2.723 0 40 GFAB CN(C)C(=O)N1CCC(C(=O)Nc2nnc(CCc3ccccc3)s2)CC1 59759798 MKWMXWREHVCFPU-UHFFFAOYSA-N 387.509 2.655 0 40 GFAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 65591134 RIZQKCHHVUBTAY-KBXCAEBGSA-N 398.532 2.791 0 40 GFAB CCOC(=O)c1cnc(S[C@@H]2CCN(c3ccccc3Cl)C2=O)nc1N 78805980 HNFISIFLLPBLOD-CYBMUJFWSA-N 392.868 2.787 0 40 GFAB CCOC[C@H](C(=O)OC)N(C)C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 84801143 NSPHNDRKTZNGJF-RGFVMQALSA-N 398.459 2.710 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCc2ccccc2C1 85878953 WEHFLKQXGNTIIT-FQEVSTJZSA-N 391.471 2.515 0 40 GFAB biogenic C[S@@](=O)Cc1c(C(=O)NCCCCN2CCOCC2)sc2ccccc12 89493119 ZDMWQJZFBKUVFP-SANMLTNESA-N 394.562 2.622 0 40 GFAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)NCCc1nnc2ccccn12 95473959 CGAWAVQCHSUVHC-UHFFFAOYSA-N 380.839 2.756 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)sc1C 96117875 JJYGWBKLTZRJNS-UHFFFAOYSA-N 375.406 2.989 0 40 GFAB CN1C(=O)CO[C@H](C(=O)Nc2ccc(-n3cccn3)cc2)[C@H]1c1ccc(F)cc1 96181655 CSDQJZZTNCFFGN-UXHICEINSA-N 394.406 2.548 0 40 GFAB Cc1cccc(CN2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)c1 96243604 YMZOCPALGMDXEP-FQEVSTJZSA-N 394.519 2.608 0 40 GFAB COc1ccccc1CN1CCN(C(=O)c2ccc(N3CCCC3)nc2)CC1 97543103 UQPDBCUCJHLTBB-UHFFFAOYSA-N 380.492 2.648 0 40 GFAB O=C(O)c1ccn(-c2ccccc2NS(=O)(=O)c2c(F)cccc2F)n1 97591223 OQPJZEDWTOIPNS-UHFFFAOYSA-N 379.344 2.650 0 40 GFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]4C2=O)no1 101450871 RDSAJCPALDIDSY-DEWZPKMOSA-N 385.807 2.562 0 40 GFAB 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@H]1C(=O)CO 118929536 VWVSBHGCDBMOOT-RSWUNGFYSA-N 376.468 2.781 0 40 GFAB COc1ccc(CCC(=O)N2CC[C@H](Oc3cc(C)oc(=O)c3)C2)c(OC)c1 206964982 ZSLULSPNDFNARV-KRWDZBQOSA-N 387.432 2.578 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccncc2)cc1 222781371 WFJPBWMGMJWPIO-UYRXBGFRSA-N 377.400 2.771 0 40 GFAB CCC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223556610 IPJYCFPPHLTUKZ-VIFPVBQESA-N 388.902 2.911 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 224266117 ZGFZJWOXCWHPBQ-UHFFFAOYSA-N 376.848 2.534 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225947876 JKMLBATYEBYWCH-BEFAXECRSA-N 392.496 2.944 0 40 GFAB COc1ccc(Br)cc1CCC(=O)N1CC(Nc2ncccn2)C1 238977379 ZXPMVIKLCFSWCB-UHFFFAOYSA-N 391.269 2.503 0 40 GFAB CC(C)Oc1ccc(S(=O)(=O)NCc2cc(-c3cccnc3)nn2C)cc1 253471479 CTNPGWQGNPIVDX-UHFFFAOYSA-N 386.477 2.748 0 40 GFAB COCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CC3(CCCCC3)OC2=O)n1 257320369 VWMUIFPHICXZGP-OAHLLOKOSA-N 388.468 2.754 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 306142732 XHUIVXXHSDCQIH-SFHVURJKSA-N 399.458 2.910 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1C 408551707 IIOXJNGAYNRPMQ-CYBMUJFWSA-N 390.461 2.512 0 40 GFAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 514289715 CQBRZXYBEZHVIS-CNNODRBYSA-N 387.524 2.979 0 40 GFAB biogenic,in-vitro COC[C@@]1(NC(=O)c2ncccc2Br)COc2ccccc2C1 529956948 JDUCHKCMHCWVAI-QGZVFWFLSA-N 377.238 2.594 0 40 GFAB COc1ccccc1-c1noc([C@H](C)NC(=O)N2CCCc3c(cnn3C)C2)n1 563325300 OGLOKUCJVBEJBA-ZDUSSCGKSA-N 396.451 2.698 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cnn2ccccc12 599158360 KDDPJPAYILDBNS-UHFFFAOYSA-N 387.237 2.774 0 40 GFAB Cc1ccnc(CNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 656013254 HBIRSPYWDANDSS-LJQANCHMSA-N 388.899 2.604 0 40 GFAB CC[C@H](C)[C@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(OC)cc21)n1cnnn1 1565520299 QSCDQLGVGFOIAN-OEPMTFCVSA-N 382.468 2.944 0 40 GFAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4csc(C)n4)C3)C2=O)n1 1565551518 GTTPKMCUMOLIDY-HXUWFJFHSA-N 384.505 2.810 0 40 GFAB O=C(COc1cccc(F)c1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615157477 KHFQFDBOAXBBMD-JOCHJYFZSA-N 398.434 2.629 0 40 GFAB COc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1F 1615159837 PTHCALVPMIGEBK-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB O=C(Cc1ccsc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615161100 SQBITCOKCQCZFD-UHFFFAOYSA-N 388.464 2.854 0 40 GFAB CN(CC1CCN(c2ccc3nncn3n2)CC1)c1cc(C(F)(F)F)ccn1 1888891052 NONJUNZVEWCIDP-UHFFFAOYSA-N 391.401 2.891 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 983582 RHLSHKNCOPEBMV-UHFFFAOYSA-N 380.441 2.920 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 1996111 ZGLXUQQMLLIKAN-CWVNLOTRSA-N 398.411 2.918 0 40 GFAB in-vitro CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2107803 IBCZDZZYWPWXAW-ZMZPIMSZSA-N 389.448 2.967 0 40 GFAB biogenic Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CC1 3385928 VYMVFFJMAAVOQT-UHFFFAOYSA-N 379.416 2.614 0 40 GFAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3456812 OBYJCFCZCURZPH-HXUWFJFHSA-N 385.851 2.766 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCCc3ccccc32)cc1 3500765 DCNKJCSWOZMNSN-GOSISDBHSA-N 395.488 2.957 0 40 GFAB COC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCN(C(C)=O)C2 4281117 POXKNLOKFWXWOD-UHFFFAOYSA-N 388.445 2.700 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1Cl 5153541 WTMANPPJXWGRNT-UHFFFAOYSA-N 392.864 2.985 0 40 GFAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)c1OC 5375375 ZCKDXNBCUOAOIY-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1N1CCCCS1(=O)=O 5439549 SYTNBFANBLJVBJ-UHFFFAOYSA-N 388.445 2.906 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1cccc2cccc(Cl)c12 5468753 JOZALSIUKDHCJI-SNVBAGLBSA-N 380.853 2.973 0 40 GFAB CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O 5706775 IZPLXRUAUHMTGJ-HZPDHXFCSA-N 396.509 2.650 0 40 GFAB CCOC(=O)c1c(NC(=O)CN(C)c2ccccc2)sc(C(=O)NC)c1C 6507767 RJEXLVBMHCTKIA-UHFFFAOYSA-N 389.477 2.668 0 40 GFAB C[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1ccc2c(c1)OCO2 7737169 CCUANWMGRNUSQW-VIFPVBQESA-N 389.458 2.843 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3Cl)ccc21 8587123 ZXBCOFXDPFDLLR-UHFFFAOYSA-N 378.881 2.982 0 40 GFAB COc1cc(Br)c(CC(=O)Nc2cccc(C(N)=O)c2)cc1OC 8744756 OHCMLDQRMJRZDF-UHFFFAOYSA-N 393.237 2.746 0 40 GFAB CN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1Br 8762879 OLKKELWZXIWXJP-UHFFFAOYSA-N 388.265 2.866 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)NC(=O)NC(C)(C)C)o2)cc1 10045160 DVHMNJFXMDJVML-UHFFFAOYSA-N 387.436 2.750 0 40 GFAB O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 10219630 PLPZJZOEYHPLOM-MRXNPFEDSA-N 380.379 2.929 0 40 GFAB CC(C)c1noc2ncc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)cc12 10549129 GEMFXUJKEASAHO-UHFFFAOYSA-N 388.449 2.648 0 40 GFAB NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 10635391 JZCJKERWFQCXEB-CVEARBPZSA-N 378.881 2.548 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1=C(Cl)CCCC1 11327637 CFQUZLOCPJXLIW-UHFFFAOYSA-N 384.885 2.713 0 40 GFAB C[C@]12CC[C@H](C[C@@H]1C(=O)NC[C@@H]1CCCO1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184797 XZNQWQJQXLWDJQ-ZJDUZLJUSA-N 384.476 2.627 0 40 GFAB CC(C)CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232949 JRXQCGKJKGBZFJ-HNNXBMFYSA-N 397.504 2.781 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 12568716 PXXWHCCKTAEYRE-CLUVUEOHSA-N 379.407 2.521 0 40 GFAB Cc1cc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)ccc1Cl 12800550 PESJXZYMNDCENM-UHFFFAOYSA-N 377.853 2.984 0 40 GFAB O=C(NCCCN1CCCC1=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 12904704 NHCALLLYHVETMK-UHFFFAOYSA-N 389.459 2.677 0 40 GFAB O=C(Cc1ccccc1)NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12999664 RWZQRJMOSHAPBD-LJQANCHMSA-N 394.471 2.870 0 40 GFAB Cc1cccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 13008943 HOIVVXTXDKIBTF-UHFFFAOYSA-N 390.491 2.858 0 40 GFAB O=C(COc1ccccc1F)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 13695709 RHFSSYRLVKLZLF-IBGZPJMESA-N 384.407 2.911 0 40 GFAB C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Br)c1 15399883 PZEVDOGAKFRLAT-NSHDSACASA-N 388.225 2.831 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cc1 16293024 DSCDSCSBBVNARK-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 17168574 OFTQOPNGHGXVOE-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB CCOc1cc(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)ccc1O 19531864 ABTIIXVGUMCAHK-UHFFFAOYSA-N 378.432 2.907 0 40 GFAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccccc2Cl)CC3)C1 19709508 JZUCCFQBVXZTBY-QGZVFWFLSA-N 387.915 2.716 0 40 GFAB CC(C)NC(=O)c1cc([C@@H]2CN(Cc3ccnn3C)CCO2)nc2ccccc12 19759055 WSRSWQQZRKWSAE-NRFANRHFSA-N 393.491 2.680 0 40 GFAB Cc1sc2c(c1C)CN([C@H]1CCS(=O)(=O)C1)CN2C(=O)c1ccco1 19879536 HISLVHMPEDGTCU-ZDUSSCGKSA-N 380.491 2.565 0 40 GFAB O=C([C@H](O)c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 20070057 DYOTVAYYODWMRP-NVXWUHKLSA-N 382.313 2.747 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20111958 UAEAAPLCDZJTNB-UHFFFAOYSA-N 399.472 2.587 0 40 GFAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc4c(c1)OCCO4)N(C)CC3)OCO2 20112457 DERUCMQVJDASGT-HNNXBMFYSA-N 397.427 2.997 0 40 GFAB biogenic CSc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20487441 CHPMCZQRRVOQON-INIZCTEOSA-N 378.475 2.574 0 40 GFAB O=C(CN1CCC(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1 20940257 ZCRDCGUDTMEFMU-UHFFFAOYSA-N 395.503 2.519 0 40 GFAB CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)c1cccnc1)C(F)(F)F 22022929 NHPVTFBIWFFYKX-KRWDZBQOSA-N 399.344 2.562 0 40 GFAB COc1ccc(OC)c(CN2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)c1 22790238 VMOBTZQWPWKQDR-GOSISDBHSA-N 397.519 2.873 0 40 GFAB COc1cccc([C@@H](CNC(=O)COc2ccc(C)cc2)N2CCOCC2)c1 23106106 PTPOSAUJZMHXFJ-OAQYLSRUSA-N 384.476 2.572 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1ccc(OC)c(F)c1 23329358 QXAGVYGDEFSHOD-UHFFFAOYSA-N 380.393 2.668 0 40 GFAB O=C(COC(=O)c1[nH]nc2ccccc12)NC(=O)NC12CC3CC(CC(C3)C1)C2 25777078 LGVVVNMHZCIFSN-UHFFFAOYSA-N 396.447 2.514 0 40 GFAB aggregator CC(C)CC[C@@]1(C)NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 25777726 MLIKQZRUGAYZHI-HXUWFJFHSA-N 376.476 2.652 0 40 GFAB COc1cccc(/C=C/C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 27617104 DGVGYWOJAIXNSL-BJMVGYQFSA-N 383.467 2.786 0 40 GFAB CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(N3CCNCC3)nn2)cc1 27988934 AJBUSMSBQPYWIQ-UHFFFAOYSA-N 399.495 2.746 0 40 GFAB O=C(Nc1nc2ccccc2[nH]1)C1CCN(C(=O)COc2ccccc2)CC1 32827083 OXLLEMOHVPJQTF-UHFFFAOYSA-N 378.432 2.819 0 40 GFAB COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(CS(C)(=O)=O)c1 32900779 DFZKFXPIUOUSEI-UHFFFAOYSA-N 387.457 2.611 0 40 GFAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOCC4)cn3)n2)cc1 32905262 PTRDDPZPTJYMCY-UHFFFAOYSA-N 393.447 2.848 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325506 LUAVYIONUYXBNJ-KRWDZBQOSA-N 387.505 2.844 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1 33768968 MXQUFCGNPZEQNX-UHFFFAOYSA-N 390.505 2.769 0 40 GFAB Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 35267051 JMXWCGXXBSMGEX-UHFFFAOYSA-N 383.467 2.850 0 40 GFAB CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 35485457 CMYPWYFYCZTSCH-NDXORKPFSA-N 379.504 2.719 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 40009901 JHRWLLWHXGCNNI-LJQANCHMSA-N 380.444 2.843 0 40 GFAB CC(C)[C@@H](C(=O)O)n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391473 MDPQODBDUACFIP-INIZCTEOSA-N 381.367 2.527 0 40 GFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C)c3)n2)c1 41153661 LTGIXINWJOEYPU-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB C[C@H]1C(=O)N(CC(=O)N(C)Cc2cccs2)C(=O)N1c1ccc(F)cc1 45873477 ATWYCDLTQDDFHO-LBPRGKRZSA-N 375.425 2.703 0 40 GFAB Cc1csc(S(=O)(=O)Cc2cc3c(cc2Br)OCCO3)n1 47941484 DLJPCZAJDBGDIF-UHFFFAOYSA-N 390.280 2.959 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 48089154 XOVYMIHQWUUHCA-LSDHHAIUSA-N 378.469 2.630 0 40 GFAB O=C(c1cccc(C(F)(F)F)c1)N1CC(c2nc(-c3ncccn3)no2)C1 49482916 RIUDAJWEIFBHCI-UHFFFAOYSA-N 375.310 2.785 0 40 GFAB Cc1c(C)c(C)c(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)c(C)c1C 50941465 QTUOVLQFHOBYBZ-UHFFFAOYSA-N 375.465 2.751 0 40 GFAB COc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 57373631 GBXYCJNRJNICRA-OAHLLOKOSA-N 383.448 2.573 0 40 GFAB COc1cccc(-c2nc(CSc3nnnn3CCN(C)C)cs2)c1 58283496 LDGOMYQUEKCLKJ-UHFFFAOYSA-N 376.511 2.659 0 40 GFAB Cc1nccn1CCCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 58356754 OLODBPJDEFOBJT-ZIAGYGMSSA-N 377.514 2.676 0 40 GFAB COCCN1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 65516503 PHMOGKIGUBIGST-AWEZNQCLSA-N 381.314 2.565 0 40 GFAB CN1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)CC1 72339487 BDWOZZMMYGWONQ-UHFFFAOYSA-N 375.432 2.686 0 40 GFAB CC(=O)N1CCn2c(nnc2C2CCN(Cc3ccnc4ccccc34)CC2)C1 72372087 MFFWDKMEBYNLSM-UHFFFAOYSA-N 390.491 2.568 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 72377705 YFZGKTMPUOYFKI-MRXNPFEDSA-N 390.447 2.795 0 40 GFAB CCn1cc(CN2C[C@H](c3cn(C)c4ccc(OC)cc34)[C@@H](NC(C)=O)C2)cn1 72395733 DYMYMHMGHUBJMV-RTWAWAEBSA-N 395.507 2.507 0 40 GFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCO2 79192302 UXXXQWHAZXLVOP-VQIMIIECSA-N 380.352 2.978 0 40 GFAB biogenic C[C@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCc1cccc(F)c1 84139488 XORSHPPSZMNGSR-MGPLVRAMSA-N 383.778 2.841 0 40 GFAB CCN(CC)CC(=O)N(CC)CCCC1CCN(C(=O)CN(CC)CC)CC1 95452725 AQOPPEGVNIPMCS-UHFFFAOYSA-N 396.620 2.537 0 40 GFAB CC(C)NC(=O)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(C)C 95474513 FRNOTDJVCALIKH-KRWDZBQOSA-N 380.920 2.721 0 40 GFAB CC(C)n1nc(CC(=O)Nc2ccc3c(c2)COC3=O)c2ccccc2c1=O 95478494 QBYPPBCMZJGNHN-UHFFFAOYSA-N 377.400 2.829 0 40 GFAB CC(C)n1cc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cn1 95503033 ZDRYYXYZWBGVSJ-GOSISDBHSA-N 378.467 2.811 0 40 GFAB O=C(CN1CCC(C(=O)Nc2ccccn2)CC1)Nc1nc2ccccc2s1 95957534 NRYSFEHSUKLTQX-UHFFFAOYSA-N 395.488 2.981 0 40 GFAB Cc1nc(Cn2cnc(-c3nc(C(=O)N4CCCO4)c4ccccn34)c2)cs1 96037968 HWBRETAHQZVSME-UHFFFAOYSA-N 394.460 2.789 0 40 GFAB COc1cccc([C@H]2CN(S(=O)(=O)c3ccc(N(C)C)cc3)CCO2)c1 97117776 GVEFOZFXSCCRAC-LJQANCHMSA-N 376.478 2.523 0 40 GFAB Cc1nccc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)n1 100752981 AMRJJDGQXGYTFP-UHFFFAOYSA-N 376.420 2.660 0 40 GFAB COc1ccc(N2C(=O)C[C@H]([C@@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 101653410 ZTDRUGXKFWVOHZ-IEBWSBKVSA-N 377.400 2.614 0 40 GFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 101692675 ADPSEXHWASRMNB-IDHHARJASA-N 394.512 2.672 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)cc1OC 102896113 MNLFDKMPGGSOKV-HKUYNNGSSA-N 380.400 2.613 0 40 GFAB Cc1ccccc1NC(=O)CN1C(=O)C(=O)N([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 104677229 YCURWKYJHUEOCX-YHUYYLMFSA-N 383.448 2.549 0 40 GFAB COc1ccc(C2(CNC(=O)N3CCN4CCCC[C@H]4C3)CCOCC2)cc1 105187181 MZMQXQRFNRCPKP-IBGZPJMESA-N 387.524 2.623 0 40 GFAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 113957316 ASCWBMBSOXXOCD-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB Cc1cc(Br)cc(C)c1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@H]21 137101569 RSAOXPKCAIFZMO-GHMZBOCLSA-N 375.313 2.720 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccccc1F 219016625 HKAQPUSEKPEBSV-IYBDPMFKSA-N 390.480 2.516 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1C)N(c1cccc(OC)c1)S(C)(=O)=O 220615575 VUMVDOUALLMOFT-IBGZPJMESA-N 390.505 2.865 0 40 GFAB CCc1ccccc1N(CC(=O)Nc1cccc(COC)c1)S(C)(=O)=O 223631393 NVIJDZLZZSYBRW-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB CCc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC 223715450 GEDGBFSQHYFJSN-UHFFFAOYSA-N 379.478 2.796 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 224000405 ISLUXTAKQZMGDL-UHFFFAOYSA-N 396.896 2.935 0 40 GFAB O=S(=O)(c1cccs1)N1CC[C@H](Oc2ncccc2Br)C1 238840897 HTXFCXNNPNDPOI-JTQLQIEISA-N 389.296 2.748 0 40 GFAB CNc1cc(C(=O)N2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)ccn1 257232772 GMIQLJRUUMWQDF-KRWDZBQOSA-N 390.447 2.871 0 40 GFAB CN1CC2(CCN(Cc3nccs3)CC2)c2nn(CC3CCC3)cc2C1=O 306132835 LTQRGLNJZZOYLL-UHFFFAOYSA-N 385.537 2.759 0 40 GFAB COc1ccc(Br)c(C(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)c1 390825969 UZIWQYGXJMTOQY-LBPRGKRZSA-N 396.216 2.680 0 40 GFAB O=C(CSCc1ccccc1Br)NCCCN1CCOCC1 408577298 XYRIILZYTOLSPF-UHFFFAOYSA-N 387.343 2.521 0 40 GFAB Cc1sc(-n2cnnn2)c(C(=O)NCCCc2nc3ccccc3n2C)c1C 524733737 LHSOIWNCYYTKQX-UHFFFAOYSA-N 395.492 2.590 0 40 GFAB Cc1cc(C)nc(N2CCC3(CC[C@@H](CNC(=O)OC(C)C)OC3)CC2)n1 585101252 RKCANEAPHJFMSM-KRWDZBQOSA-N 376.501 2.994 0 40 GFAB Cc1ccc(N2CCC(O)(CN3CC[C@]4(C)NC(=O)CCCC[C@H]34)CC2)cc1 585282562 GYZZZYKBPWVTAG-UNMCSNQZSA-N 385.552 2.850 0 40 GFAB Cc1noc(CCCNC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)n1 590984509 JXNSHSNREZXQLP-UHFFFAOYSA-N 396.451 2.950 0 40 GFAB Cc1ncc(CNC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)o1 628299352 MTTJWZPAXFTEHE-AWEZNQCLSA-N 377.510 2.702 0 40 GFAB Cc1noc(COC2CN(C(=O)NCc3ccc(C(F)(F)F)cc3C)C2)n1 644471987 KDUMOSCSNJDWOQ-UHFFFAOYSA-N 384.358 2.816 0 40 GFAB Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cn1 681286696 CKHQBJLJIZVZPI-GFCCVEGCSA-N 389.399 2.887 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)C[S@](=O)c3ccc(Cl)cc3)ccc21 1135800587 ZLAAFBIEEAGFDR-VWLOTQADSA-N 376.865 2.995 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 1260065282 GPPRCAPKBCZQRB-CRAIPNDOSA-N 394.518 2.843 0 40 GFAB O=C1C[C@H](C(=O)N(CCn2ccnc2)C2CCSCC2)c2ccccc2N1 1539865442 VWUNJJNTQWSUGI-KRWDZBQOSA-N 384.505 2.733 0 40 GFAB CC(C)(O)COc1ccc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 1615070659 LBOLPSYXCRWWPE-WOJBJXKFSA-N 375.440 2.600 0 40 GFAB CSc1nc(C2CC2)cc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1 1888876335 GQXICFVGMMFPEB-UHFFFAOYSA-N 384.553 2.620 0 40 GFAB Cc1n[nH]c(C)c1C(=O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897562 WHVVPCYQMBWYRR-UHFFFAOYSA-N 394.479 2.878 0 40 GFAB CCc1nccn1CC1CN(S(=O)(=O)c2ccc(Br)cc2)C1 1890469638 IQHHRZJZBVFTJS-UHFFFAOYSA-N 384.299 2.529 0 40 GFAB Cc1cccc(-n2c(=O)c3cc4c(=O)n(-c5cccc(C)c5)c(=O)c4cc3c2=O)c1 853028 KHYYZKOAWKXYKK-UHFFFAOYSA-N 396.402 2.508 0 40 GFAB COc1ccc(-c2nc3c4cnn(-c5ccc(F)cc5)c4ncn3n2)c(O)c1 2241508 ACABHXYINMHQNI-UHFFFAOYSA-N 376.351 2.984 0 40 GFAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O)c1cccs1 2503915 YXEQXDMENYMCRC-AWEZNQCLSA-N 387.314 2.836 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C 3285187 FSQHWYZRUIQLRO-UHFFFAOYSA-N 388.420 2.995 0 40 GFAB O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCOCC1 3621003 DRSVFXFQDGSFMA-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 4835027 JVOUHULWUANMMV-HNNXBMFYSA-N 395.459 2.825 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4835029 GNOPCSRIKBFHNE-AWEZNQCLSA-N 383.423 2.956 0 40 GFAB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 4945197 LFJHSECBLAJNRD-UHFFFAOYSA-N 391.475 2.816 0 40 GFAB C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 5310060 HYBFUECISPKHCU-QMMMGPOBSA-N 375.841 2.830 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 5341828 PWTZRXHLRBHKHD-OAQYLSRUSA-N 399.878 2.900 0 40 GFAB CCCCCC(=O)N1CC[C@@H](CC(=O)N2CCC(C(N)=O)CC2)[C@@H](CC)C1 5412825 YJLYWDNAASVSSA-WMZOPIPTSA-N 379.545 2.555 0 40 GFAB biogenic,in-vitro COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 5689392 ANPKVHZZIVZIEO-LBPRGKRZSA-N 385.420 2.864 0 40 GFAB COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@@H]3C[C@H]21 5707327 WMMZYEBFJWWUJX-RCVGXTDISA-N 384.476 2.656 0 40 GFAB CCOC(=O)c1c(NC(=O)COc2ccccc2)sc(C(=O)N(C)C)c1C 6047078 VYTSOQKGJNFUSN-UHFFFAOYSA-N 390.461 2.953 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O 6051618 OVLJFBOLZHGEDI-AWEZNQCLSA-N 395.415 2.577 0 40 GFAB O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1cccs1 6226235 UDLOYPKEDYNFFR-UHFFFAOYSA-N 382.235 2.667 0 40 GFAB COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 6624556 ABAJMXONUIGWHZ-VBKZILBWSA-N 398.459 2.922 0 40 GFAB biogenic CCCCCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 6749064 DMZGNEXIFSDPGM-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)NC4CCCCCC4)cc3c21 6941453 VLFKIXLDGBNLQA-UHFFFAOYSA-N 375.450 2.681 0 40 GFAB O=S(=O)(c1ccc(SCc2nc3ccccc3o2)nc1)N1CCOCC1 7219997 RMKZMZOWSKKEFI-UHFFFAOYSA-N 391.474 2.536 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1Cl 7779688 REDIRRUNTAISAJ-UHFFFAOYSA-N 392.820 2.508 0 40 GFAB CCOc1ccccc1OCCCC(=O)Nc1cccc(S(N)(=O)=O)c1 7940890 WRLMCWDQTCJLBH-UHFFFAOYSA-N 378.450 2.530 0 40 GFAB COc1ccc(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1OC 7955553 JMGSBQQETLJZLA-UHFFFAOYSA-N 397.406 2.627 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NOCc1ccccc1 8096918 FPOHIIMMKQRBIE-UHFFFAOYSA-N 384.457 2.756 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1OC 8899550 TYTRCENRUWYLBN-INIZCTEOSA-N 396.534 2.881 0 40 GFAB O=C(CSc1nnnn1CCc1cccs1)NCc1ccc(F)cc1 8935459 SGUSANADCNRZCO-UHFFFAOYSA-N 377.470 2.525 0 40 GFAB CCOc1ccc(CC(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 9032976 MIFGCCMXMNVXHX-UHFFFAOYSA-N 387.432 2.505 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 9250893 MBIFEAPNGXDRFO-LLVKDONJSA-N 380.495 2.519 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCSc2ccc(F)cc21 9513787 RNILCWYGJBHPIW-AWEZNQCLSA-N 391.468 2.734 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 11710750 FSPJCTKGUGWFGJ-ZDUSSCGKSA-N 375.421 2.805 0 40 GFAB O=C(NCCCn1nc(-c2cccs2)ccc1=O)c1ccc2c(c1)OCO2 11738438 GQWFGXCLZGPXFA-UHFFFAOYSA-N 383.429 2.521 0 40 GFAB COc1cccc2s/c(=N/C(=O)CCS(=O)(=O)c3ccccc3)n(C)c12 12080567 JGBZZAOJEKEYCZ-VHEBQXMUSA-N 390.486 2.540 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)Nc2ccccc21 12117932 RISJWZFOBCHBHD-FXAWDEMLSA-N 396.535 2.815 0 40 GFAB CCOc1cc2c(=O)oc(-c3ccccc3S(C)(=O)=O)nc2cc1OC 12619684 UNPMSHQAFOCFFH-UHFFFAOYSA-N 375.402 2.666 0 40 GFAB CCC(CC)c1nnc(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)s1 12764251 XJGVMAYIGRLZCW-UHFFFAOYSA-N 382.511 2.911 0 40 GFAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1CCNC1=O 12777169 SFBMISFCXBESNW-ZETCQYMHSA-N 392.047 2.531 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)cc1 12848970 KCCZSFUIKQJPKP-GOSISDBHSA-N 398.459 2.964 0 40 GFAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 12928845 JWJOCRKMWBKIIF-UHFFFAOYSA-N 382.445 2.662 0 40 GFAB CCOc1cc(CN(c2ccc3nnnn3n2)C2CC2)ccc1OC(F)F 12971766 WKRBAFFOERJTDP-UHFFFAOYSA-N 376.367 2.688 0 40 GFAB CC(C)n1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2c1=O 14171777 BWUKYEQKHQSGMY-SFHVURJKSA-N 390.487 2.982 0 40 GFAB Cn1ncc2c(N3CCN(C(=O)c4cc5c(s4)CCCCC5)CC3)ncnc21 14731234 WNSNKAUUZSHTQG-UHFFFAOYSA-N 396.520 2.656 0 40 GFAB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)NC(C)C 14731657 YQTVKVGHPXDHMQ-AWEZNQCLSA-N 388.489 2.973 0 40 GFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 16188239 KUKODYNDNQRPLM-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB Cc1ccc(-c2nc(CNC(=O)COc3ccc4nsnc4c3)no2)cc1 19213008 JRWIBIMPPWIXOI-UHFFFAOYSA-N 381.417 2.745 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19403272 RJZNBHMCPIBZIA-OAHLLOKOSA-N 392.415 2.809 0 40 GFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CC(C)C)C3)c2N)cc1 19446375 NMFPSFKDKIDKBA-OAHLLOKOSA-N 384.480 2.931 0 40 GFAB C[C@@H](CC(=O)Nc1ccccc1CN1CCN(C)CC1)n1nnc2ccccc21 19455531 CWOHWRKNASCNOY-KRWDZBQOSA-N 392.507 2.769 0 40 GFAB Cc1cc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c2ncccc2c1 19666592 SOLREKUKRVODRG-UHFFFAOYSA-N 399.472 2.811 0 40 GFAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 20612609 DKRLKTDPEQCDPB-UHFFFAOYSA-N 397.544 2.945 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 20744598 YHTHJIIPTRATEJ-UHFFFAOYSA-N 394.269 2.705 0 40 GFAB COc1cc(CN(C)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1OC(F)F 22312146 TZDAMZVYKRTHEV-KBPBESRZSA-N 380.391 2.637 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccccc3)CC2)cc1 22912772 PCSOGHXRZRIUNZ-UHFFFAOYSA-N 380.492 2.580 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccn(C)c3=O)n2C)c1 23136236 BYQLYQHUWBYAJY-UHFFFAOYSA-N 383.477 2.528 0 40 GFAB COc1cccc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 23786820 LSUIJGWOUSRUOC-SOFGYWHQSA-N 394.471 2.824 0 40 GFAB COC(=O)CCn1c(SCc2nccn2C(F)F)nc2ccccc2c1=O 24718721 UMMSDENYHOTCCO-UHFFFAOYSA-N 394.403 2.844 0 40 GFAB O=C(CNC(=O)c1ccco1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24924938 ZMPOMARVLXGOCV-UHFFFAOYSA-N 377.372 2.974 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1ccc(C)c(C)c1 24926564 UVLQANARBRIKBP-UHFFFAOYSA-N 388.489 2.934 0 40 GFAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1CCC(N)=O 25049670 SIRYWBFNSVCAIN-UHFFFAOYSA-N 399.476 2.761 0 40 GFAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 30976773 UNXKASUVUZEEAQ-PDGQHHTCSA-N 396.468 2.838 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1 32591661 SMZRGYHIQIERND-UHFFFAOYSA-N 381.837 2.945 0 40 GFAB CCN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1cc(C)ccc1OC 39985646 HYUTXTZEMIDDQC-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(OCC(F)(F)F)cc1)CS2 40040133 GPZNGKCMCNPXJM-XJKSGUPXSA-N 388.411 2.698 0 40 GFAB C[C@H]1CN([C@@H](CNC(=O)COCC2CC2)c2c(F)cccc2Cl)CCO1 40107689 BOCZMGVFFJUYNU-GUYCJALGSA-N 384.879 2.784 0 40 GFAB COCc1nn2c(ncc3c(=O)n(CCCO)ccc32)c1-c1ccc(Cl)cc1 40397760 NXUVAGYDSPOEDX-UHFFFAOYSA-N 398.850 2.893 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H]1CCOc2ccccc21 44339271 CKJJMDQGXOECSU-CQSZACIVSA-N 385.811 2.578 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 44572002 RTDSJGZIQQBMRG-MRXNPFEDSA-N 389.521 2.970 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 47032249 FUAVVHKVTLOXCQ-LJQANCHMSA-N 390.505 2.819 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 47385281 WDMCISAGXLCMET-SFHVURJKSA-N 391.431 2.946 0 40 GFAB O=C(c1cncc(Br)c1)N1CC(c2nc(-c3ccccn3)no2)C1 49031959 XUTBCZJGZMKEEL-UHFFFAOYSA-N 386.209 2.529 0 40 GFAB CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4CC(C)C)n3)ccn2)CC1 49154970 ZZDIFAHVVQROPE-SFHVURJKSA-N 398.511 2.593 0 40 GFAB biogenic,in-vitro Cc1cc(C)nc(N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)n1 49550052 RVSSZAKJOABMSB-MRXNPFEDSA-N 379.342 2.516 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Sc2nncn2C)c(OC)c1 55048354 ZLDJJJHLCVYSOK-SWLSCSKDSA-N 376.482 2.677 0 40 GFAB O=C(NCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCOCC1 56997152 CXTHSYUMSUHERO-UHFFFAOYSA-N 393.531 2.673 0 40 GFAB COc1ccccc1[C@@H]1[C@@H](N2CSCC2=O)C(=O)N1CCc1ccccc1 58266639 BKKUSWJCCHMBDY-WOJBJXKFSA-N 382.485 2.723 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 59816743 MWPCNQOYOXXVBU-UMVBOHGHSA-N 395.463 2.602 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCOc4ccc(C)cc43)n2)cc1 67205783 YTEBOCQTKNGCDK-UHFFFAOYSA-N 375.428 2.953 0 40 GFAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCO 67316735 VHTGHHSFRPXZTN-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)C1CC1 72321404 RKTGOFBPTPGAMR-TZIWHRDSSA-N 398.434 2.635 0 40 GFAB biogenic,in-vitro O=C(c1ccoc1)N1CCC(NCC2(CN3CCOCC3)CCCCC2)CC1 79046017 MLIUWIMGXPWWAK-UHFFFAOYSA-N 389.540 2.757 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cn(-c3ccc(Cl)cc3)nn2)cc1 79104326 LUEZIMONRTWGDQ-UHFFFAOYSA-N 392.868 2.750 0 40 GFAB Cn1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1 84318736 CMUHBXGMOGYSRO-QGZVFWFLSA-N 389.456 2.865 0 40 GFAB CCOc1ccc(/C=C/C(=O)N[C@@](C)(COC)CC(=O)OC)cc1OCC 95963964 YUSDGAWHGOWRFM-WAEYIKQSSA-N 379.453 2.582 0 40 GFAB O=C1CCc2cc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)ccc2N1 96103542 PAESUGXHXQOSTJ-UHFFFAOYSA-N 380.372 2.820 0 40 GFAB CN1CCc2cc([C@@H](O)CNC(=O)c3cc(Br)cs3)ccc21 96362549 XBUVBASYGACQAN-AWEZNQCLSA-N 381.295 2.966 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100074416 FDNWFVRBCSOHLB-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 100643123 VTUBHADBCXCYLY-UUIKUFGASA-N 385.460 2.737 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)C2=O 101562971 AICNKUUPLHXJRK-XTIIMXRNSA-N 375.513 2.914 0 40 GFAB O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cc2c(s1)CCC2 108366932 LWCLVOXZTRTEFA-ZWKOTPCHSA-N 395.528 2.566 0 40 GFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218567039 DJQDJPLCMLCLDM-LNLFQRSKSA-N 394.876 2.905 0 40 GFAB Cc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1N(C)S(C)(=O)=O 222487528 GIQHFKQFZGVQFW-UHFFFAOYSA-N 389.521 2.647 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 223827635 FTNSGCWWQPJPIK-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225909920 OCFCJXOYEBYWTH-NSHDSACASA-N 389.447 2.951 0 40 GFAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@H]3C1=O 249686114 GOPIUFURVJPNIZ-QSNWEANLSA-N 384.451 2.513 0 40 GFAB COC(=O)c1ccc(CNC(=O)CCCOc2ccc(-c3cnn(C)c3)cc2)o1 257173522 PPRHJKYFIFOHDE-UHFFFAOYSA-N 397.431 2.942 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)N(C)CCc2c(C)n[nH]c2C)[C@@H]1c1ccccc1C 257200206 ACKCTWXNWHWINX-CTNGQTDRSA-N 382.508 2.946 0 40 GFAB Cc1nc([C@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NC1CCCC1 257273661 NHQBRUDYDZTOLO-KRWDZBQOSA-N 384.524 2.811 0 40 GFAB Cc1ccc(CN2CCC3(CC[C@@H]4ON=C(C(=O)N5CC(F)C5)[C@@H]43)CC2)o1 306132114 KYURHURNVPGNGJ-DLBZAZTESA-N 375.444 2.515 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408595094 TVLGOJIUFRRMPG-CABCVRRESA-N 382.526 2.980 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 408607101 QATSCOMAHIWGAA-LLVKDONJSA-N 398.868 2.663 0 40 GFAB CSc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 509412635 AUOOWKVQCXDEMS-UHFFFAOYSA-N 394.493 2.694 0 40 GFAB Cc1cc(O)nc2cc(NC(=O)C[C@H](c3ccsc3)n3cnnn3)ccc12 524733822 SLUKTQQXLHQJNC-MRXNPFEDSA-N 380.433 2.915 0 40 GFAB CSc1c(F)cc(NC(=O)C(=O)N[C@@H](CCO)c2ccccc2)cc1F 541363657 VCPNEPCEAUIDNW-HNNXBMFYSA-N 380.416 2.865 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 584046811 KRUANIRTGPTZAD-CYBMUJFWSA-N 393.534 2.704 0 40 GFAB O=C(N1CCO[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1)C1(F)CCC1 585113217 JLPHJSXSALMFHF-INIZCTEOSA-N 381.411 2.583 0 40 GFAB NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 666635544 SXKGPYKJGJMZDR-AWEZNQCLSA-N 399.472 2.541 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)Nc2cccnc2-c2cnn(C)c2)cn1 666845826 YCGMJALEYRHWAV-MJGOQNOKSA-N 395.467 2.911 0 40 GFAB O=C1NCCc2ccc(NC(=O)c3cnn(-c4ccncc4)c3C(F)F)cc21 683742334 RQVKXWUCSXDQSO-UHFFFAOYSA-N 383.358 2.743 0 40 GFAB Cc1ccc(CNC(=O)CN2CCC(N(C)c3ncc(Cl)cn3)CC2)cc1 1849471880 FXSOKLAVTMBDPE-UHFFFAOYSA-N 387.915 2.655 0 40 GFAB Cc1sc2nc([C@H](C)OC(=O)c3ccc4c(c3)OCC(=O)N4)[nH]c(=O)c2c1C 22260759 SLOBOOBLUNIPKB-VIFPVBQESA-N 399.428 2.850 0 40 GFAB CCO[C@H](C)[C@H](Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(C(=O)O)cc1 1602391 HKPVSEKLTUCQTK-PXAZEXFGSA-N 386.404 2.927 0 40 GFAB CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 6225290 XWVBEIWPSIXBBS-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 6441733 QBDICRDZCXTDRU-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCC1 6566661 VHVDUBABPKUURG-KRWDZBQOSA-N 384.567 2.844 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(NC(=O)c3ccco3)c1)CS2 23200749 YTFBOMSGZLWZNY-AUUYWEPGSA-N 385.445 2.924 0 40 GFAB Cn1cc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)cn1 54319106 YEOWQTICDQEBAQ-UHFFFAOYSA-N 378.270 2.661 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CSc2nnc(SCC(N)=O)s2)cc1C 8754059 YHOYQNSVPLZGIH-NSHDSACASA-N 396.563 2.702 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)cc1 1461393 DVFRXCIZRXFZSJ-HNNXBMFYSA-N 392.411 2.607 0 40 GFAB CCOC(=O)c1c(NC(=O)COc2ccccc2C(N)=O)sc(C)c1CC 9647964 ARCHVPQDOGZTBF-UHFFFAOYSA-N 390.461 2.912 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)NCC34CC5CC(CC(C5)C3)C4)ccc21 43531207 JFJBQUJNTQDXCY-UHFFFAOYSA-N 376.478 2.626 0 40 GFAB CCn1c(=O)n(CCC(=O)NCCn2c(C)nc3ccccc32)c2ccccc21 12545482 SJNXNKXAEZKHAT-UHFFFAOYSA-N 391.475 2.688 0 40 GFAB Cc1ccnn1-c1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 12590853 RSZZHYWPYAZUDN-UHFFFAOYSA-N 382.508 2.946 0 40 GFAB CCN(CC)c1ccc(CNC(=O)c2ccccc2S(=O)(=O)CC)cn1 57519422 PRKAQRYJQBYFFU-UHFFFAOYSA-N 375.494 2.651 0 40 GFAB Cc1cccc(NC(=N)Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)c1 10156504 GVJARNPDMQMRQY-UHFFFAOYSA-N 387.494 2.989 0 40 GFAB COc1cc(NC(=O)Cn2nc(C)nc2-c2ccccc2)cc(OC)c1OC 58186134 LFFRFNMGZGZVQH-UHFFFAOYSA-N 382.420 2.918 0 40 GFAB O=C(Nc1ccccc1-n1cccn1)NC1CCN(C(=O)c2ccoc2)CC1 48152460 MLOPOPBOKMZWQR-UHFFFAOYSA-N 379.420 2.892 0 40 GFAB CN(C)C(=O)N1CCC(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC1 48277963 JSUHNXAHOHKSSV-UHFFFAOYSA-N 381.480 2.693 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 12778424 BEOBUHNEBXXQHN-UHFFFAOYSA-N 395.438 2.988 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1 12769080 AECQMNOIDJYXDL-UHFFFAOYSA-N 387.461 2.737 0 40 GFAB NC(=O)N[C@@H](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1F 27843614 LMVLSGKHHKWFMG-BEFAXECRSA-N 384.455 2.568 0 40 GFAB Cn1ccnc1COc1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1 45055458 WSAFLMCEIRVMFB-UHFFFAOYSA-N 388.431 2.510 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)N(C)C)c1 20244765 AZSQZPGVMGXEQJ-UHFFFAOYSA-N 393.553 2.923 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 11077292 SOOHGMOFILGUPG-UHFFFAOYSA-N 384.480 2.888 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCCCc1ccccc1 3491793 IPNUJEPFGODBQE-UHFFFAOYSA-N 397.504 2.820 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 29609891 RPABNMNUEKAZTD-UHFFFAOYSA-N 388.427 2.798 0 40 GFAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2C(=O)C[C@H](C)C3)cc1 20801920 VRRYIBXZDFXSLV-CQSZACIVSA-N 381.480 2.746 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 20042548 MVNIJBOKTSMGQF-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CCCc1ccc(-c2nc(NC(=O)CC[C@H]3NC(=O)NC3=O)sc2C)cc1 12986246 AJXVEIWZGXTSPE-CQSZACIVSA-N 386.477 2.998 0 40 GFAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCCc1c[nH]c2ccc(F)cc12 97531543 WGKSXNGGMOYYER-SFHVURJKSA-N 394.406 2.756 0 40 GFAB COc1ccccc1[C@H]1CN2C(=O)CN(C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 4082312 YFRZXQKRWIEPMR-MWTRTKDXSA-N 389.455 2.838 0 40 GFAB biogenic Cc1ccc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1Cl 4029359 ZZEXILUHBFSHFY-RUCLQGLUSA-N 397.855 2.983 0 40 GFAB biogenic Cc1cc(C)cc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1 13511949 UFRLTDHAECKTIO-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB S=C(NCCN1CCN(C(=S)Nc2ccccc2)CC1)Nc1ccccc1 19596484 KHLVQESTAFZING-UHFFFAOYSA-N 399.589 2.988 0 40 GFAB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccnc1 4271583 DAGJPTNPSYHZKH-GOSISDBHSA-N 381.407 2.824 0 40 GFAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3)C[C@@H]1C2 306123747 AVNCADMABUBCKL-VQTJNVASSA-N 387.487 2.512 0 40 GFAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)Nc3nc4ccccc4n3C2=O)c1 5209621 QNMIRPBUQTXKBE-KRWDZBQOSA-N 390.321 2.799 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408607147 NAXPPWJNODJGPO-UHFFFAOYSA-N 382.526 2.792 0 40 GFAB C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 65624094 HSVGTSSLVJADAG-CVEARBPZSA-N 380.483 2.965 0 40 GFAB CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O 4598917 XGJGWYRHLPSMLW-IAGOWNOFSA-N 378.469 2.943 0 40 GFAB COc1ccc(NC(=O)COC(=O)CSCc2c(C)noc2C)cc1OC 6559050 IGPFFHROWVRANI-UHFFFAOYSA-N 394.449 2.724 0 40 GFAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NC(=O)NCc1ccco1 6549620 JOVPRTOJQGCVDM-UHFFFAOYSA-N 397.460 2.856 0 40 GFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[C@@H]2C=CCC2)c(=O)[nH]c1=O 14633405 IUYIAZGLORJAIY-MRXNPFEDSA-N 396.491 2.808 0 40 GFAB COC(=O)c1cc(NC(=O)c2cccc(C)c2OC)ccc1N1CCOCC1 4711506 UGQHHBZCGZEPHT-UHFFFAOYSA-N 384.432 2.879 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCC3)c1 15636901 KCRSKOZZHNAHSR-UHFFFAOYSA-N 385.898 2.788 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4ncccn4)CC3)c2c1 9576689 HKWCSMDYGASISW-UHFFFAOYSA-N 379.464 2.542 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 8035559 UUWQNKMTOARWBH-UHFFFAOYSA-N 381.816 2.546 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 71862947 CGNHETAGGGVPMM-BQFCYCMXSA-N 379.501 2.900 0 40 GFAB CC(=O)Nc1ccc(CC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 8709080 LMHAONQRVSBZAR-UHFFFAOYSA-N 388.851 2.971 0 40 GFAB COc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 408625502 VJOXKISGXHRABH-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB Cc1cc(C)c(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)c(=O)[nH]1 9931374 FXAULCQCCJUVSP-UHFFFAOYSA-N 393.472 2.781 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(/C=C/c2ccco2)s1 89522581 AXVBEYWASJVZOA-VMPITWQZSA-N 395.448 2.927 0 40 GFAB O=S(=O)(C1CC1)N1CCC2(CC1)OCc1nc(Nc3ccccc3)ncc12 306137456 QWROMHYVBQZXHY-UHFFFAOYSA-N 386.477 2.534 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 22528753 YZKSNJFZRHUZJH-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c(C)c1 408603511 KNAJBMCJNGIFKK-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC 32440288 OWEGSSQHWALBDA-NSHDSACASA-N 398.868 2.663 0 40 GFAB CN(C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 65495700 ZPBGFAUBISELMX-UHFFFAOYSA-N 376.453 2.862 0 40 GFAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 33737734 DFEJTVBAGWIPGI-UHFFFAOYSA-N 398.532 2.639 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CCCN(c3ncccn3)C1)CC2 524733585 WZPWXYFMRMUGSC-DOTOQJQBSA-N 382.464 2.514 0 40 GFAB O=C(Cc1cccs1)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 38489206 PDGATBRWZUEPIJ-UHFFFAOYSA-N 384.530 2.942 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)NC1(c2ccc3c(c2)OCO3)CCCC1 72346549 JXXZSCPKZFHOKJ-UHFFFAOYSA-N 391.427 2.711 0 40 GFAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218567141 DJQDJPLCMLCLDM-SCTDSRPQSA-N 394.876 2.905 0 40 GFAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224002248 AQMFBHMGXDXRDC-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN(C)C)cc1 225349266 WPWUFFRWJCUBII-JXAWBTAJSA-N 387.505 2.596 0 40 GFAB COc1cccc(-c2noc(CNC(=O)CCc3ccc4c(c3)OCO4)n2)c1 222655043 ZXNPIHYCTQRHFF-UHFFFAOYSA-N 381.388 2.723 0 40 GFAB CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(c1ncccn1)CC2 96260474 ITCIWLXLKQMTLS-UHFFFAOYSA-N 380.496 2.533 0 40 GFAB CC(C)n1nnc(-c2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc2)n1 96232047 AVGPQGSDEHPHPJ-UHFFFAOYSA-N 388.435 2.813 0 40 GFAB O=C(O)Cc1cc(Br)cc2[nH]nc(I)c12 95933246 IADUHOKBDNZJTJ-UHFFFAOYSA-N 380.967 2.557 0 40 GFAB COc1ccc(C(=O)N2CC3(CC[C@H](CN4CCCCC4)CO3)C2)cc1F 248147394 UGWOVKKLQMEYSE-MRXNPFEDSA-N 376.472 2.941 0 40 GFAB COc1cc2c(cc1[C@H]1C[C@@H](NC(C)=O)CC3(CCOCC3)O1)OCCCO2 257326729 WYJMEOOWQDKSKU-CRAIPNDOSA-N 391.464 2.762 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCC2(O)CCCC2)[C@@H]1c1ccccc1OC 257344311 ZWOQDNZZUSPTRV-XLIONFOSSA-N 388.508 2.806 0 40 GFAB Cc1cnc(-c2nnc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)o2)cn1 257247016 IWZZFACERKJYLY-MRXNPFEDSA-N 385.449 2.751 0 40 GFAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C3CCCCC3)CCN21 253405238 SCIKGCNJOOTLKA-IBGZPJMESA-N 391.581 2.788 0 40 GFAB biogenic,in-vitro Fc1ccc(-c2nc(CN3CCN(CCc4cnccn4)CC3)co2)cc1F 640097170 JTDAJCSXCYXQDP-UHFFFAOYSA-N 385.418 2.770 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc1 653535376 PZWQVRSNGAAWKL-TUKIKUTGSA-N 382.482 2.737 0 40 GFAB Brc1nn(Cc2noc(-c3ccsc3)n2)nc1Br 1189349955 YBVBLUHWMTWCBE-UHFFFAOYSA-N 391.048 2.963 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN1CCC[C@@H](O)C1)C2 585104136 LUMSSBWHAVZRPK-UXHICEINSA-N 386.536 2.717 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCNC(=O)c1cccs1 46202252 MYHAINSEFUZORQ-UHFFFAOYSA-N 382.489 2.639 0 40 GFAB O=C1COc2cc(NC(=O)c3ccc4c(c3)NC(=O)CS4)c(Cl)cc2N1 46388793 MHTUGAKMNVNOBO-UHFFFAOYSA-N 389.820 2.967 0 40 GFAB COc1nccnc1N(C)CC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 1776009822 SKFJOKRHWLPSCO-UHFFFAOYSA-N 396.417 2.955 0 40 GFAB CC[C@@H]1CN(C(=O)c2ccc(C)cc2F)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772595096 WNPGZKRCLBDOGO-QGPMSJSTSA-N 384.442 2.934 0 40 GFAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 5574527 FXVRTCVIGDJOCL-LLVKDONJSA-N 396.852 2.896 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2)c1 11560560 PKTSOXFDMXFQFR-UHFFFAOYSA-N 394.880 2.527 0 40 GFAB CC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1 12471906 ICCHQOIXDPRBBL-UHFFFAOYSA-N 386.477 2.836 0 40 GFAB CCCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2OC)cc1 13854716 UVTKTSVAHWAHND-UHFFFAOYSA-N 383.448 2.594 0 40 GFAB COc1ccc(CCNCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OC 13998928 PTAVPSNCLRVJFA-UHFFFAOYSA-N 398.459 2.895 0 40 GFAB Cn1c(=O)n(C)c2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc21 19289780 JPSHOASWBNEFQD-QGZVFWFLSA-N 375.432 2.731 0 40 GFAB O=C(CN1CCCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 19369268 YJJYNOWKHQQMKG-HXUWFJFHSA-N 394.519 2.923 0 40 GFAB CCc1oc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1CN1CCOCC1 19521497 QTRHZGFIIGSDOE-HXUWFJFHSA-N 397.519 2.803 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142558 RZJMXPJZXHPNCX-GJZGRUSLSA-N 384.407 2.533 0 40 GFAB Cn1nc(C2CC2)cc1N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 225570004 CWUGFJKQGSVTFW-UHFFFAOYSA-N 394.519 2.695 0 40 GFAB O=C(O)c1cn([C@H]2CCCN(C(=O)CCc3ccccc3C(F)(F)F)C2)nn1 630197381 PRDORZCPUKUZFI-ZDUSSCGKSA-N 396.369 2.791 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[C@H]3CCCO3)CC1)N2 19128614 VNWYGKBPISUWHD-OWCLPIDISA-N 382.455 2.990 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(Cl)cc(Cl)c2)NC(=O)N[C@@H]1C 6083442 QJSGYGWTXQERRW-MRVPVSSYSA-N 387.219 2.669 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3N3CCCC3=O)ccc21 7325438 ASCPNSVFBQNRHL-UHFFFAOYSA-N 399.472 2.523 0 40 GFAB Cc1cc(-c2csc(CC(=S)N3CCOCC3)n2)c(C)n1-c1ncn[nH]1 16940314 SRECHIHBJQGYJC-UHFFFAOYSA-N 388.522 2.538 0 40 GFAB O=C(c1ccncc1F)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889125150 SDCMCKSTDJJBRP-NHYWBVRUSA-N 380.345 2.985 0 40 GFAB O=C(CSc1c[nH]c2ccccc12)NCCN1Cc2ccccc2OCC1=O 238839959 HPZKVPUINAFGBK-UHFFFAOYSA-N 395.484 2.797 0 40 GFAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)CCc2ccc(OC)cc2)[nH]c1=O 7422237 BFLPJKDYYKGHKE-UHFFFAOYSA-N 395.463 2.715 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COc2ccc(Cl)cc2)n1 12123386 OJQHBQQLHWXWMA-UHFFFAOYSA-N 399.838 2.812 0 40 GFAB O=C(NCCC1=CCCCC1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234264 BQITYKSMJIGARP-UHFFFAOYSA-N 383.427 2.549 0 40 GFAB COc1ccc(-c2nn(CCNC(=O)c3ccccc3F)c(=O)n2C2CC2)cc1 585199927 DIJMUKHRCVIYPG-UHFFFAOYSA-N 396.422 2.624 0 40 GFAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 78877888 SEBGORKKOHZATJ-UHFFFAOYSA-N 379.344 2.650 0 40 GFAB Cc1n[nH]c(-c2ccc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)s2)c1C 40266601 UNKNUTYUECXTJV-UHFFFAOYSA-N 376.463 2.655 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)c(OC)c1 101342503 WLYMOGHIHHZROX-PKOBYXMFSA-N 380.400 2.613 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)c2ccccc2O1 21471979 VQCLIJCOCJOYPG-LJQANCHMSA-N 391.427 2.814 0 40 GFAB C[C@@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc(NS(C)(=O)=O)cc1 53124379 UAJSEZOLZGOQCZ-LLVKDONJSA-N 392.868 2.850 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 2140690 WCBRGZGMGOHZMP-UHFFFAOYSA-N 376.906 2.569 0 40 GFAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NCC(F)(F)F)c1 3469856 XVXKTNRJBKBPAG-UHFFFAOYSA-N 386.326 2.706 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1C 3544871 GGVKIOFMUSIXOM-AWEZNQCLSA-N 384.432 2.943 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1OC(F)F)C2=O 3595695 NVAXPLMUTOAMHX-ADLMAVQZSA-N 381.379 2.727 0 40 GFAB CCCCNC(=S)N(CCN(C)C)Cc1cc2cc(OC)ccc2[nH]c1=O 4133594 LAWJJQYGTQTGQY-UHFFFAOYSA-N 390.553 2.575 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O 4514362 LDFNPLDMEUZCKT-NLOUDPMVSA-N 389.471 2.924 0 40 GFAB O=c1c(=O)n(-c2ccc3c(c2)OCCO3)ccn1Cc1ccc(F)cc1Cl 4569916 XOLPLKJFAFQSLC-UHFFFAOYSA-N 388.782 2.611 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)NC1CCCCC1 4704344 XTWVEXMUEJYYOW-LPHOPBHVSA-N 388.508 2.752 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1N 5676093 DPSWXVJCTPYJSL-UHFFFAOYSA-N 387.440 2.846 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC1CCCC1 5684477 NYCYJKWCEDWWRD-UHFFFAOYSA-N 379.526 2.640 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2c(C)noc2C)ccc1C 6610893 VZWYWEMNBIEGJS-UHFFFAOYSA-N 380.466 2.987 0 40 GFAB CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6613096 WJAGSPDXRHOKJO-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB Cc1cccc(C(=O)N[C@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)c1 6881911 ZAOOLVPGQXDOLJ-CYBMUJFWSA-N 381.384 2.669 0 40 GFAB CCCN(C(=O)CSc1nc2ccccc2n1CC)[C@@H]1CCS(=O)(=O)C1 7153818 AASUNODDMSBVIL-CQSZACIVSA-N 395.550 2.574 0 40 GFAB COc1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N2CCCC2)cc1 7779353 ULUOSBMMIISHBM-LJQANCHMSA-N 378.469 2.950 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1OCC 8041668 LAEMGCCIAKVZHH-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB COc1cccc(C(N)=O)c1OCC(=O)Nc1cccc(Br)c1 8395691 SHIKEWFHIQLOIZ-UHFFFAOYSA-N 379.210 2.574 0 40 GFAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)NC(C)C 8475851 ZTICQDDZCHISFW-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1 9116266 YVXKOLNSRDGVPI-UHFFFAOYSA-N 396.490 2.818 0 40 GFAB CCN(c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1)S(C)(=O)=O 10008640 ZGHGKTDKLVFFNY-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCSc4ccccc43)ccc21 10109625 UDBVBEBYEUVODX-AWEZNQCLSA-N 381.457 2.677 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccco3)C2)cc1 12219622 NRGCJQTZBXTOPU-HQRMLTQVSA-N 389.473 2.791 0 40 GFAB CC(C)n1nccc1C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 12220575 BOVTZRPJRLZATD-UHFFFAOYSA-N 375.436 2.541 0 40 GFAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3cc(C)n(C)n3)nc12 12229234 PVVHBCPSZVHCTH-UHFFFAOYSA-N 387.509 2.945 0 40 GFAB COc1ccc(C(=O)O)cc1Cn1nc(C)c(I)c1C 12355505 NROWMMDEJJFBFB-UHFFFAOYSA-N 386.189 2.860 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 12375096 AXMBKMAQAXZRRI-XBLGPDGASA-N 380.448 2.619 0 40 GFAB biogenic,in-vitro COc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 12660552 GXPXLUBGFRVNPV-IGKNDFSCSA-N 380.437 2.608 0 40 GFAB biogenic CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)ccc1OC 12768077 MYYKFIBSQYJVFV-AWEZNQCLSA-N 383.242 2.991 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1C 12944817 SLHQZVWTOCGFFF-HXUWFJFHSA-N 389.521 2.876 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N[C@@H]1CCCc2ccccc21 13692407 NFMGRWGUPMDJNG-LJQANCHMSA-N 389.455 2.915 0 40 GFAB COc1ccc(NC(=O)COCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 13844741 VQTGKABZQUTPHZ-UHFFFAOYSA-N 378.812 2.951 0 40 GFAB C[C@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 14153480 SZEHVELLJLCJJB-MRXNPFEDSA-N 392.546 2.891 0 40 GFAB CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 14167400 HPHSJCRBARVENH-UHFFFAOYSA-N 381.476 2.761 0 40 GFAB COc1cc(-c2nc(SCC(N)=O)nc3c2CCCC3)cc(OC)c1OC 16195285 YFMUHCDAISYLIL-UHFFFAOYSA-N 389.477 2.626 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 18177431 FFRJDKJZWNQDRE-CQSZACIVSA-N 381.454 2.832 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19209091 UHHOZHBNHLXTDL-RTXPOLOASA-N 392.455 2.685 0 40 GFAB Cc1ccccc1-c1cccc(C[C@H]2CN(C(=O)[C@H]3CCCO3)CCNC2=O)c1 19237457 WXMIDVCARZNZLN-RBBKRZOGSA-N 392.499 2.958 0 40 GFAB Nc1c(C(=O)C2CCN(C(=O)Cc3cccnc3)CC2)cnn1-c1ccccc1 19374461 HASBNHATKBLAIB-UHFFFAOYSA-N 389.459 2.514 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H](C)c3ccccc3)ncc2C1 19459264 WOVLKZJCNQTODT-YWZLYKJASA-N 378.476 2.848 0 40 GFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1C[C@H]2CCc3cn(C(C)(C)C)nc3[C@H]2C1 19572196 JMRADXQZVNGGQO-WBVHZDCISA-N 382.508 2.756 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](CC)Sc1nc2c(=O)[nH]cnc2n1C 19625790 DFIBVWPLRARQTI-CYBMUJFWSA-N 387.465 2.565 0 40 GFAB biogenic,in-vitro Cc1oc2c(c1C(=O)N1CCC(c3nnc4n3CCN(C)CC4)CC1)CCCC2 19709440 AROVJDUDZFDEBK-UHFFFAOYSA-N 397.523 2.566 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 20011937 RAFVLGMIGUMSNV-CYBMUJFWSA-N 396.896 2.847 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 21559349 ZALNCFULGAGTNB-GOSISDBHSA-N 380.444 2.958 0 40 GFAB CCOCCOC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 21713090 PEKZWFXIVBVZRH-UHFFFAOYSA-N 383.400 2.685 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(Oc2cnccn2)c1 24576148 HPZYSXOLIIWQRT-UHFFFAOYSA-N 391.430 2.918 0 40 GFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)COCc1ccccc1Cl 24839322 RKGMIZIOEFLZGU-HNNXBMFYSA-N 378.787 2.874 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)c1 26101096 GVXLEEPGRNLETH-UHFFFAOYSA-N 388.474 2.684 0 40 GFAB Cc1nc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)n(C)c2)cs1 32882644 GFIITFAMHWVZMP-UHFFFAOYSA-N 397.504 2.619 0 40 GFAB O=C1CCc2cc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)ccc2N1 33066880 MVLIXHVVAHHRMK-KRWDZBQOSA-N 377.444 2.601 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1cc(N2CCOCC2)ncn1 36708485 NNSRMKJDWZFNOV-UHFFFAOYSA-N 394.884 2.706 0 40 GFAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)[C@@H]1CCCO1 36758227 JETPOHNGABOVNG-BEFAXECRSA-N 394.537 2.937 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 36895121 GHLOJMLEUOFPMQ-UHFFFAOYSA-N 382.526 2.648 0 40 GFAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)c12 40135150 QQUVZKRBIKSGLH-WCQYABFASA-N 397.504 2.731 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1 44904627 SNGYBBJBRRRDKF-INIZCTEOSA-N 390.505 2.817 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1c(C)nc2ncnn2c1C 45580361 OQKMHSHVNIBHRP-UHFFFAOYSA-N 397.479 2.740 0 40 GFAB CCNC(=O)COc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 48355187 JAMYKRJAHIBNFX-UHFFFAOYSA-N 386.832 2.795 0 40 GFAB CCCCOc1ccc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 49011759 LNGQSOPWYCEMCL-UHFFFAOYSA-N 384.480 2.634 0 40 GFAB Cc1cccc(OCC(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c1 58312144 KONAANJGXRCYNW-GOSISDBHSA-N 381.476 2.710 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)Cn3c(C)cc4ccccc43)CC2)no1 58417246 BBIAYJHSOXLAPV-UHFFFAOYSA-N 380.448 2.667 0 40 GFAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c1 65498535 NAWYYTHYYQRCBI-UHFFFAOYSA-N 384.841 2.919 0 40 GFAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC[C@H](O)C2)cc1 68517252 AXQULSBJGPNGCV-SIKLNZKXSA-N 393.487 2.830 0 40 GFAB COc1cccc(CCNC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)c1 77100387 ZQJITAUMVPRKFR-UHFFFAOYSA-N 391.353 2.662 0 40 GFAB CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(=O)O 95080004 UEGWAUDFQVIERH-CYBMUJFWSA-N 390.546 2.701 0 40 GFAB in-vitro CSCC[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 95962857 WIADFFISKPHHTK-IXDOHACOSA-N 392.496 2.739 0 40 GFAB O=C(CN1CC[C@@H]2CCOC(=O)[C@@H]21)Nc1ccccc1C(=O)Nc1ccccc1 95976350 PZCMPPNSIRKJQT-FOIQADDNSA-N 393.443 2.515 0 40 GFAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN2CCOC[C@H]2C1 96013897 YDGAZLLZKSIIOU-MRXNPFEDSA-N 387.505 2.740 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)CCc1ccccc1)C2 96227402 XDHFDWXGNMNFHC-NZQKXSOJSA-N 377.488 2.911 0 40 GFAB CC[C@@H](C)n1ncn(-c2cc(-c3ccc(O)cc3)ccc2N2CCNCC2)c1=O 98177456 QMHXFKJFFPQUQV-MRXNPFEDSA-N 393.491 2.787 0 40 GFAB O=C(O)CCCCCNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 102674151 ZFURKWNCEHRKDT-CALCHBBNSA-N 399.491 2.964 0 40 GFAB C[C@@H]([C@@H](C)N(C)C(=O)[C@@H](C)c1ccc(Br)s1)S(C)(=O)=O 108457686 WPQOEPGEFYKFLO-AEJSXWLSSA-N 382.345 2.894 0 40 GFAB CCOc1ccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222587076 UAYWMPYHLPTTSF-UHFFFAOYSA-N 388.489 2.945 0 40 GFAB CC[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 223283690 DAXYUDFNWXHGBE-BRSGZFOASA-N 384.476 2.700 0 40 GFAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3nc4c(s3)CCCC4)cc2o1 223331938 SZOAMLWXOAGHRF-UHFFFAOYSA-N 385.854 2.911 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cccc(F)c1 223834561 OEYMRIKUZQKOQC-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)ccc1C 223858266 LLKFFKQLYOMGOE-UHFFFAOYSA-N 399.472 2.754 0 40 GFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCC1 224419216 VLYYWRNHJHUIMI-UHFFFAOYSA-N 380.510 2.546 0 40 GFAB CC(=O)Nc1cccc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)c1 225764480 WMTFNQSSEUTISD-UHFFFAOYSA-N 392.444 2.741 0 40 GFAB NC[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516347 SDLAFJXOWAOMLD-BBWFWOEESA-N 386.300 2.871 0 40 GFAB CCC[C@H](C)NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 408545916 BKKXIUYAIGNBEV-LBPRGKRZSA-N 391.331 2.828 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408560874 QMZBKAWXQPQUGX-CQSZACIVSA-N 392.477 2.708 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409393410 WIMFXAGOWYLKCV-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB CO[C@@H](CS(=O)(=O)N1CCNCc2c(C)cccc21)c1ccc(F)cc1 528047419 NTDVJAMNLCPGPW-IBGZPJMESA-N 378.469 2.761 0 40 GFAB COc1cc2cc(C(=O)N[C@H]3CCN(c4ncccc4F)C3)[nH]c2cc1OC 531516771 VTYZXLVWLFEDFX-ZDUSSCGKSA-N 384.411 2.728 0 40 GFAB O=C(c1cnn2cccnc12)N1CCc2c(Br)ccc(F)c2C1 542573015 MBPUBKVOOIDZQS-UHFFFAOYSA-N 375.201 2.829 0 40 GFAB COc1ccc(CCNC(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575607257 AZUHWARPXBQSBJ-KRWDZBQOSA-N 390.871 2.934 0 40 GFAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N=c1cc2n([nH]1)CCCC2 585082556 IJAMMWCXDMGGCO-IBGZPJMESA-N 380.492 2.579 0 40 GFAB CNC(=O)c1cnn2c(C3CCN(Cc4c[nH]c5ccccc45)CC3)ccnc12 585182409 LBVPZBGSOJJCJC-UHFFFAOYSA-N 388.475 2.950 0 40 GFAB CCc1ccc(OC)c(S(=O)(=O)N2CCCN(C3CCSCC3)CC2)c1 618255547 FBQLEDULTOSLDE-UHFFFAOYSA-N 398.594 2.850 0 40 GFAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(C(C)C)CC2 643576545 QNJZTVFGCQSTSS-MOPGFXCFSA-N 395.588 2.713 0 40 GFAB CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nnn(Cc3ccncc3)c2C)c1 647827260 HSJHRRSTBMCMMM-UHFFFAOYSA-N 384.827 2.894 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@H]1c1ccc(Cl)cc1 649249128 SYUBHLPJJDQDHK-RRQGHBQHSA-N 385.851 2.562 0 40 GFAB CC(C)CCc1nnc(NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)s1 656603276 DAYLZQVXVXUSSX-RKDXNWHRSA-N 380.392 2.854 0 40 GFAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@@H]43)[nH]nc21 668823657 KREGSKMOARVYIP-KFWWJZLASA-N 392.463 2.597 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC[C@H](COc3cccc(C)n3)C2)c1 1775969329 LQSYFZJNUYSVGF-INIZCTEOSA-N 376.478 2.878 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(-c3ccnn3C)cc2)cc1 1889280231 UTRHHWPMEZUSKH-UHFFFAOYSA-N 398.488 2.567 0 40 GFAB COC[C@@H](C)NC(=O)CN1CCC(c2cccc(Nc3nccs3)n2)CC1 2037834818 SVJLMBIRFSFCDR-CQSZACIVSA-N 389.525 2.612 0 40 GFAB O=C(CN1CCC[C@](O)(COc2ccccc2)CC1)NCCc1ccccc1 2037915978 FOFCWGUVFSSKME-HSZRJFAPSA-N 382.504 2.641 0 40 GFAB COc1ccc(Cn2c(O)ncc(C(=O)Nc3ccccc3Cl)c2=O)cc1 2086882031 ZTMNNKDDNHMARQ-UHFFFAOYSA-N 385.807 2.912 0 40 GFAB O=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)N1CCOCC1 671903 KBXPTEYOLUABIQ-UHFFFAOYSA-N 377.491 2.516 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Br)cc1 1751702 WVBYGORFCACMMK-INIZCTEOSA-N 392.249 2.728 0 40 GFAB biogenic COc1cccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2-c2ccccc2)c1 3427048 UHLFQSCGNUJTBD-GFCCVEGCSA-N 397.460 2.618 0 40 GFAB Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO 3455154 JGLAYDRLTLIUSX-UHFFFAOYSA-N 383.473 2.818 0 40 GFAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1 3456822 DFQHRCVPMFAXRV-IBGZPJMESA-N 387.823 2.754 0 40 GFAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 3486064 KMXINTYWVRZGQD-AWEZNQCLSA-N 375.446 2.674 0 40 GFAB CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1 4121397 JZLKCJPWOJSLEL-UHFFFAOYSA-N 376.526 2.748 0 40 GFAB Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 4368094 XBJRMRLURQLEPI-HNNXBMFYSA-N 396.443 2.936 0 40 GFAB CCN1C(=O)[C@@](O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21 4555038 ADSJZMXFXBYGCB-QGZVFWFLSA-N 392.253 2.616 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1C 4814929 JTGNMICXLXQFPI-UHFFFAOYSA-N 399.476 2.686 0 40 GFAB Cc1c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1C(C)C 4940752 NZZWUTUQEJEKKD-UHFFFAOYSA-N 393.491 2.980 0 40 GFAB CCN(CC)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 4995545 JAYIATADGDGWQY-UHFFFAOYSA-N 376.478 2.759 0 40 GFAB COc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c(OC)c1 5026012 VFVDYIWQDZJZMP-UHFFFAOYSA-N 384.432 2.939 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1OC 5099511 SVEPELQRNQFWRS-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1nonc1C 5111240 LFOJSCXBUFFGDC-UHFFFAOYSA-N 379.170 2.661 0 40 GFAB COC(=O)c1ccc2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2c1 5222990 SHASEFYOBDHMRW-UHFFFAOYSA-N 390.442 2.739 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c(OC)c1 5329495 IAWOMARRVZGAHZ-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CC(C)CC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 5625010 SSIAUYAHTWSHOO-UHFFFAOYSA-N 394.479 2.727 0 40 GFAB CCCCCc1c(C)[nH]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1=O 5866383 GZVWBAFESSTNTQ-UHFFFAOYSA-N 398.507 2.862 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 6407312 LZVMBUIKBSXJFL-VZUCSPMQSA-N 399.399 2.686 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC 6611192 FJGWFLPLOBCSGF-NFAWXSAZSA-N 379.453 2.953 0 40 GFAB COC(=O)c1ccccc1NC(=O)CCCCCn1nnc2ccccc2c1=O 6658786 AXXQMJOVWRWWKL-UHFFFAOYSA-N 394.431 2.777 0 40 GFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 7954904 NTCBIEZYIJGEDH-GOSISDBHSA-N 385.464 2.977 0 40 GFAB Cc1cc(I)ccc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 8024533 CUZFLVAANBGOEI-VXGBXAGGSA-N 388.249 2.647 0 40 GFAB Cc1cc(CNC(=O)CSc2nnnn2Cc2cccs2)cc(C)c1O 8232434 PJGNNWJDODGLPQ-UHFFFAOYSA-N 389.506 2.514 0 40 GFAB COc1cc(C(=O)OCC(=O)NCc2ccccc2F)ccc1OC(F)F 8507896 OYWCHSOWOPTIKZ-UHFFFAOYSA-N 383.322 2.909 0 40 GFAB CCOCCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC 9155471 SEDDRISMWYJACQ-UHFFFAOYSA-N 378.498 2.609 0 40 GFAB Cc1cc(Cl)ccc1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9365330 OBQSTKGNQAXZPQ-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1N1CCOCC1 9388825 NNJUSVWTPMMJRD-CVEARBPZSA-N 395.573 2.558 0 40 GFAB O=C(CN(Cc1ccco1)Cc1ccco1)N1CCN(c2ccccn2)CC1 9909615 KWLJXQCGHHIADZ-UHFFFAOYSA-N 380.448 2.619 0 40 GFAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2cccc(F)c2)n2nnnc2N3)cc1 10232592 APIGJAJBYUDJIP-KRWDZBQOSA-N 375.367 2.978 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nc3ccccc23)cc1OC 10327140 JZOUWCAKYATZFD-UHFFFAOYSA-N 393.443 2.858 0 40 GFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCN(c2nccs2)CC1 11187086 VDNREKOYJMKIQW-OWOJBTEDSA-N 377.853 2.887 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1 11940369 BMBXHAIGTBKDDM-CRAIPNDOSA-N 383.448 2.973 0 40 GFAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 12293390 OLURAHSSWPUPKF-RBUKOAKNSA-N 397.471 2.842 0 40 GFAB CCCCn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2cc(S(N)(=O)=O)ccc21 12581650 SLYMGJMCQNXFDM-GJZGRUSLSA-N 378.542 2.962 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 12796624 FZGMYRDGOYLPOB-UHFFFAOYSA-N 376.460 2.878 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 12860672 KGJNLZGVYHZFRZ-UHFFFAOYSA-N 388.427 2.729 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCn1c(=O)oc2ccccc21 12904583 WXDUNLQXEAKKIQ-UHFFFAOYSA-N 387.823 2.701 0 40 GFAB CC(=O)c1ccc(OCC(=O)N2CCN(C)c3nc4ccccc4nc32)cc1 12972705 AIDBTZFBVBSKFW-UHFFFAOYSA-N 376.416 2.694 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)c1ccc(=O)n(CCOc2ccccc2)n1 12974341 XHEBOJXMTHKKKT-UHFFFAOYSA-N 382.445 2.520 0 40 GFAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 13002419 MCNHDBBLJAFVQH-AWEZNQCLSA-N 376.478 2.714 0 40 GFAB CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1[C@H]2O)OCCO4 13219187 MXLUJTLTXGBJCS-ZDUSSCGKSA-N 394.865 2.977 0 40 GFAB COc1cccc(CCNC(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)c1 13807041 DDWFKRDFOAXZAE-UHFFFAOYSA-N 377.444 2.586 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 13842556 SARSSWKOXNSMLF-UHFFFAOYSA-N 383.448 2.625 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@@H](O)COCc1ccccc1F)C2=O 13988395 MUNTWGZPNIUVTQ-IUSZMWJPSA-N 392.471 2.840 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3nc4ccccc4o3)CC2)on1 14319285 GJGAUALABFZYJT-CYBMUJFWSA-N 398.419 2.911 0 40 GFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1OC(F)F 15587170 QYRAUBFHPLRIBY-UHFFFAOYSA-N 388.326 2.925 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 16142352 LMZYUDAMKCSUDE-UHFFFAOYSA-N 384.457 2.557 0 40 GFAB COc1ccc(OC)c([C@H](O)CN2CCCN(Cc3ncccc3C)CC2)c1 19237800 HOWGOWZXHILUSZ-OAQYLSRUSA-N 385.508 2.649 0 40 GFAB Nc1c(C(=O)[C@H]2CCCN(C(=O)c3cccnc3)C2)cnn1-c1ccccc1 19374427 VVTMRCUYHFVYKB-INIZCTEOSA-N 375.432 2.585 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3CCC[C@@H]3Cn3cccn3)sc2c1 19657952 JTWFUJKAMDTLML-CQSZACIVSA-N 385.493 2.995 0 40 GFAB CCN(CC)C(=O)CN1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NC)nc2)cn1 19691808 WFSUZKKJWAWWAC-HXUWFJFHSA-N 395.507 2.509 0 40 GFAB Cn1cnc2ccc(NC(=O)c3[nH]cnc3C(=O)Nc3ccc(F)cc3)cc21 19718189 LUUFCGYDBJADLO-UHFFFAOYSA-N 378.367 2.940 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c(C)c1 19931276 RKKKOIIDUMVDAR-IBGZPJMESA-N 386.517 2.780 0 40 GFAB CC(C)C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1Cc2ccccc2C1=O 20531373 CPQDZYIRYSBNLR-FQEVSTJZSA-N 392.503 2.801 0 40 GFAB CCNc1nnc(SCC(=O)N(CC)Cc2ccc3c(c2)OCCO3)s1 21628015 UAKOGVMPWVVPAV-UHFFFAOYSA-N 394.522 2.882 0 40 GFAB CN1CCN([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)O)CC1 22584909 JHIZQSHPAKYDQJ-IBGZPJMESA-N 383.448 2.508 0 40 GFAB CCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(C)CC2)c1=O 22696993 KXWJHPORDOIBTI-IBGZPJMESA-N 375.900 2.872 0 40 GFAB CC(C)[C@H]1CN(Cc2ccco2)CCN1Cc1nnnn1Cc1ccc(F)cc1 22914323 PEJBGICLAQVUNT-HXUWFJFHSA-N 398.486 2.796 0 40 GFAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)NC[C@@H]1CCCO1 23185204 OPZDOFKWFAOZGJ-INIZCTEOSA-N 387.505 2.598 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1cccs1 23820920 IWTBXDJZWOKSIN-UHFFFAOYSA-N 381.885 2.597 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2ccco2)C1 27336296 CACUPVZPYYAYRD-SJORKVTESA-N 385.464 2.678 0 40 GFAB COC(=O)c1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc(=O)[nH]c1C 31618448 HWEQRNWGIDSLIZ-UHFFFAOYSA-N 381.841 2.558 0 40 GFAB O=C1CCCN1C(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 31626475 UQUZWCLIWKPJEK-UHFFFAOYSA-N 387.848 2.927 0 40 GFAB COc1cc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)cc(OC)c1OC 32801178 DGJUQSHXWPDIMZ-UHFFFAOYSA-N 389.799 2.594 0 40 GFAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)[C@H]1COc2ccccc2C1 32843018 AYRXIHXJCZPUES-GFCCVEGCSA-N 376.338 2.616 0 40 GFAB Cc1nn(C)cc1C[C@@H](C)Nc1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 36618607 RWPOSBFYEHJUTA-SNVBAGLBSA-N 379.390 2.981 0 40 GFAB CC(C)[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 39539518 WOIHJFMCRVGTGS-QGZVFWFLSA-N 387.871 2.687 0 40 GFAB CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 39985921 BTWUXOWMBSPJEH-INIZCTEOSA-N 392.496 2.974 0 40 GFAB CC(C)(CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)N1CCOCC1 40043199 AJQPJLJXOVKXCV-UHFFFAOYSA-N 393.434 2.779 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@@H](c1ccccc1)N1CCCC1 40062720 CTFVMPFARLQMKD-NRFANRHFSA-N 393.487 2.903 0 40 GFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc3ccccn23)cc1 40088965 ANCGGWOCRJVLJL-AWEZNQCLSA-N 399.476 2.545 0 40 GFAB COc1cccc(NC(=O)CS(=O)(=O)c2cccc(Br)c2)c1 40106514 WSKMGPKLPWPQIM-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB COCc1nn2c(ncc3c(=O)n(C(N)=S)ccc32)c1-c1ccc(Cl)cc1 40397863 ZFEMJFYUAGPWCK-UHFFFAOYSA-N 399.863 2.603 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 44840458 RQTZAEBXYWHYEC-CQSZACIVSA-N 393.443 2.976 0 40 GFAB COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)N1CCCC1 48313937 AVAVAQHMHYSUSR-FQEVSTJZSA-N 399.535 2.597 0 40 GFAB NC[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 50246618 PEJNSAIZFCACRT-SSDOTTSWSA-N 388.114 2.725 0 40 GFAB CS(=O)(=O)c1ccc(NCC2(c3ccccc3)CC2)c(S(C)(=O)=O)c1 54449427 YXALPELDHXCJPZ-UHFFFAOYSA-N 379.503 2.637 0 40 GFAB COC(=O)N1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1 57448224 DFKBKSMFTXAHOR-UHFFFAOYSA-N 382.464 2.630 0 40 GFAB CCn1c(SCC(=O)Nc2cccnc2Cl)nc2cc(C)[nH]c2c1=O 57522109 RUBNBOPFHVDNKC-UHFFFAOYSA-N 377.857 2.832 0 40 GFAB CSc1nc(C)c(CCC(=O)Nc2cccc(Br)n2)c(=O)[nH]1 65514655 LTPVBKYKUSIMFP-UHFFFAOYSA-N 383.271 2.529 0 40 GFAB Cc1nnnn1-c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 71282969 GNLJHSDTIAFJSF-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccc4nccnc24)C3)CC1 72347357 ZQRSCIIZATWQBX-UHFFFAOYSA-N 390.491 2.508 0 40 GFAB CCCCN(CC)Cc1cccc(CNS(=O)(=O)CCCC(=O)OC)c1 79092336 DADHZQVRARMHAJ-UHFFFAOYSA-N 384.542 2.681 0 40 GFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1)OCO2 85413060 FDDZEVDOKLZXDP-KXBFYZLASA-N 396.351 2.596 0 40 GFAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC1CCN(C[C@H](C)O)CC1 89548064 ICZVUBOBZFWJRT-INIZCTEOSA-N 385.508 2.744 0 40 GFAB O=C(CCc1ccccc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 90584117 UTESDZKZWBSKRG-UHFFFAOYSA-N 388.475 2.770 0 40 GFAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H](O)c1ccc(Br)cc1 95979102 NIAIQIUHPXKRGA-INIZCTEOSA-N 378.222 2.570 0 40 GFAB CC1CCN(CCNC(=O)Nc2ccncc2I)CC1 95996427 CBCCRXIMTWKXDB-UHFFFAOYSA-N 388.253 2.540 0 40 GFAB Cn1ccc2c(C(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)cccc21 96114471 BCJKWDNZTMBWTL-IBGZPJMESA-N 388.427 2.987 0 40 GFAB biogenic Cc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1Cl 96121419 LZJHIEHNFFGQEO-UHFFFAOYSA-N 390.875 2.985 0 40 GFAB O=S(=O)(c1cccs1)N1CCC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 96222972 DGIAZYMLHMQBBF-YOEHRIQHSA-N 379.507 2.567 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 101047676 FMJOKPRBXJEFND-DCXXXQMHSA-N 376.449 2.630 0 40 GFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(Cc2cccc3ccccc23)CC1 101079773 FYNNBNJJJSGXFF-SZPZYZBQSA-N 389.499 2.866 0 40 GFAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(-n2ccnc2)cc1 102835358 LGPFMQYWFDQBDY-SNRMKQJTSA-N 394.475 2.615 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CCN2CCCC[C@H]12 106630969 IWNPOKCRHAQPAA-ZOCIIQOWSA-N 378.467 2.717 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 113943388 MVLMMSNNFXMJAP-UHFFFAOYSA-N 376.434 2.600 0 40 GFAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223989379 LGPGFZPUGTZGJJ-OAHLLOKOSA-N 398.525 2.556 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731441 HVATVMGDWJPWFV-IZZDOVSWSA-N 398.410 2.618 0 40 GFAB O=C(COc1ccc(Cl)cc1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 238831358 FZDSAUUNLWRPER-INIZCTEOSA-N 388.807 2.555 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238849252 JBLBOZJIXQLVRW-VIFPVBQESA-N 379.335 2.714 0 40 GFAB C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254612350 QJPCKAJTLHDNCS-QCGJWGEISA-N 390.520 2.719 0 40 GFAB Cc1nc2ccccn2c1CC(=O)N1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 257212490 CDRKAUJZOGQIQW-UGKGYDQZSA-N 397.450 2.755 0 40 GFAB CN1[C@@H]2CN(C(=O)c3cc(O)nc(-c4ccccc4)n3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257262586 LLZYDZZOTNLAOO-FCQWJQKHSA-N 378.476 2.937 0 40 GFAB CC(=O)N1CCC2(CC1)CN(C(=O)c1ccco1)Cc1c2nc(C)n1C(C)C 306127768 GHENPDOONCDHDC-UHFFFAOYSA-N 384.480 2.902 0 40 GFAB Cc1cccc(CN2CCC[C@@]3(CN(C(=O)C4CC4)CC(F)(F)C3)C2=O)n1 306130624 JLEATNXGPJJHTK-LJQANCHMSA-N 377.435 2.776 0 40 GFAB CCN1CCC[C@@]2(CN(Cc3cccc(OCC(=O)O)c3)CC(F)(F)C2)C1=O 306131937 KTNNRQWBBGIQSG-LJQANCHMSA-N 396.434 2.620 0 40 GFAB O=C(Cc1ccccc1)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306138951 SLPRZXCSTYQAPA-LEWJYISDSA-N 386.455 2.534 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCC(=O)O)cc2)NC(=S)N1 408985770 NFKWPZGQDZVPDG-GOSISDBHSA-N 397.456 2.582 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)n1 539033377 CFBJOSNKQZCYLV-KRWDZBQOSA-N 383.496 2.515 0 40 GFAB Cn1nnc2c(C(=O)NC3(c4ccc(OC(F)(F)F)cc4)CC3)ccnc21 562742726 LGOWIYYKGLSDJP-UHFFFAOYSA-N 377.326 2.681 0 40 GFAB COc1c(F)c(F)cc(C(=O)NCc2ccnc(N3CCCC3=O)c2)c1F 575620883 WIFWDDJKXAIJQV-UHFFFAOYSA-N 379.338 2.564 0 40 GFAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)ccn1 584878583 KZOIFTNDNMELEW-HNNXBMFYSA-N 379.338 2.602 0 40 GFAB CN1CC[C@H](N(C)C(=O)c2cccc(-c3cccc(N4CCNCC4)c3)c2)C1 584895448 OXNPWBAVDUPAAU-QFIPXVFZSA-N 378.520 2.539 0 40 GFAB CCCCc1ccc(CNC[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc1 585289073 CVQCCYNRAXCDGF-VWNXMTODSA-N 396.531 2.757 0 40 GFAB Cc1nc(C(=O)N=c2ccc3c([nH]2)OCCO3)nn1-c1ccccc1C(C)C 618080028 ZKUPEQWLPPUWQO-UHFFFAOYSA-N 379.420 2.540 0 40 GFAB NC[C@H]1CCCC[C@@H]1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 638268765 PTCAQCXJAYNCSD-AEFFLSMTSA-N 392.931 2.715 0 40 GFAB CCN1CCN(C(=O)c2ccc(NC(=O)c3ccn4c(C)cnc4c3)cc2)CC1 654635752 RCJKEAWXWOMWBE-UHFFFAOYSA-N 391.475 2.673 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)COc4ccccc4F)C[C@H]3C2)nn1 1888883426 OMVJLAPTAUUQCX-IYBDPMFKSA-N 398.482 2.887 0 40 GFAB C[C@H](OC(=O)COC(=O)c1cc(-c2ccc(F)cc2F)ccc1O)C(=O)O 2060993540 HZKOTYVEFUPVSO-VIFPVBQESA-N 380.299 2.511 0 40 GFAB NCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 1857794409 ACLWXUGWEQNQCF-AOIWGVFYSA-N 398.617 2.908 0 40 GFAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 78954209 CNQXGNJBYGZNMX-DNVCBOLYSA-N 375.419 2.969 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 4044106 FFCSIQDHUAMNEF-YCNIMBIBSA-N 375.424 2.665 0 40 GFAB biogenic CCOC(=O)c1cc2occc2n1CC(=O)N1CCN(c2ccccc2)CC1 4926273 QPXDFXKUGYESGJ-UHFFFAOYSA-N 381.432 2.760 0 40 GFAB O=C(NCCOc1ccc2ccccc2c1)c1cc(N2CCOCC2)ccn1 23819856 BHEYMZPWTAUGQL-UHFFFAOYSA-N 377.444 2.880 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1C 24326767 QTOWUFNXIXEVDN-UHFFFAOYSA-N 395.463 2.871 0 40 GFAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)no1 8433491 HHYUITAATMUZRJ-UHFFFAOYSA-N 379.800 2.927 0 40 GFAB Cc1cc([C@H]2CCCN2C(=O)NC[C@@H](c2cccs2)N2CCOCC2)on1 43101007 DUQNICCLGWUNLH-CVEARBPZSA-N 390.509 2.965 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 24865307 GCJGVSWNCZOGEZ-UHFFFAOYSA-N 377.510 2.921 0 40 GFAB Cc1nccn1C[C@H](C)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 47938121 VRVCFKWRYJPNBW-GFOMBABLSA-N 394.519 2.896 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1Cl 3222416 WOGBFTSSFMBSTP-UHFFFAOYSA-N 379.844 2.932 0 40 GFAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 56792764 BUWYJTIPUGTFLD-UHFFFAOYSA-N 393.466 2.759 0 40 GFAB CCc1cc(=O)n(CC(=O)Nc2ccc(C(=O)OC)cc2)c(-c2ccccc2)n1 57527329 YWUBMJNUNGJJSM-UHFFFAOYSA-N 391.427 2.898 0 40 GFAB O=C(NCCSC1CCCC1)Nc1ccc(C(=O)N2CCOCC2)cc1 48274792 OFGHZATZNRNITE-UHFFFAOYSA-N 377.510 2.956 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1OC(C)=O 27017748 HCIBBRJRBHEQCA-QGZVFWFLSA-N 388.445 2.825 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N1CCCCCCC1 58040579 BMQDGDMORKWQSV-UHFFFAOYSA-N 396.557 2.573 0 40 GFAB O=C(NCCc1ccccc1Cl)N1CCN(C(=O)c2ccc(O)cc2)CC1 58175776 FPIZUFSUMFWNIF-UHFFFAOYSA-N 387.867 2.756 0 40 GFAB COc1ccc(CN(C)C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1F 58402596 UPAYTHQVUYIOGH-CQSZACIVSA-N 386.423 2.997 0 40 GFAB CCCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10530004 AUVKEOWCPFUHED-AWEZNQCLSA-N 382.482 2.532 0 40 GFAB O=C(COC(=O)COc1ccc2ccccc2c1)NC(=O)NCc1ccccc1 10592303 NSEVVMOCNOFYFE-UHFFFAOYSA-N 392.411 2.788 0 40 GFAB O=C(c1ccccc1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 12872977 XICXPNCJXGRBAG-UHFFFAOYSA-N 382.851 2.535 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccc(F)cc1 3404352 SVUIRGFIUZQQLV-UHFFFAOYSA-N 377.393 2.886 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 3461526 UGWQCVJMVJPRFC-GAJHUEQPSA-N 393.487 2.900 0 40 GFAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 20462032 JDQLAPQKEXPHKJ-UHFFFAOYSA-N 377.488 2.767 0 40 GFAB CC[C@H](C)NC(=O)CS(=O)(=O)CCCC(=O)Nc1c(C)cc(C)cc1C 46115497 PNLWTFSXSIXGEM-INIZCTEOSA-N 382.526 2.660 0 40 GFAB O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC[C@H]1c1ccncc1 29789881 MOEJLFCUKOQLCO-IBGZPJMESA-N 385.489 2.747 0 40 GFAB CCCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 13629766 RAUJXUMINWEYQP-QGZVFWFLSA-N 385.851 2.570 0 40 GFAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c(OC)c1 4581685 LVHRFJLDKJXUPB-UHFFFAOYSA-N 387.413 2.788 0 40 GFAB CCc1cccc(NC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c1 5635462 NQPOVEWUNADVGZ-UHFFFAOYSA-N 379.507 2.625 0 40 GFAB Cn1ccc2ccc(C(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)cc21 96113994 ZVKVIVYBFHNMLT-SFHVURJKSA-N 388.427 2.987 0 40 GFAB biogenic Cc1ccc(/C=C2\N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)s1 7397487 RSBDDULUVGSBKJ-GDNBJRDFSA-N 376.459 2.651 0 40 GFAB Cc1ccc(NC(=O)CNc2cc(F)cc(F)c2)cc1S(=O)(=O)N(C)C 9337144 HTMLHCLYRCPJRN-UHFFFAOYSA-N 383.420 2.574 0 40 GFAB O=C(COc1ccc(Br)cc1F)NC[C@@H]1COc2ccccc2O1 7783996 ISNRHEZWWJSFEX-GFCCVEGCSA-N 396.212 2.923 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCSc1ccccc1 8073464 PSKGHSVOPUGQAH-UHFFFAOYSA-N 375.494 2.540 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 8128637 BTVPQVYNSBBGOU-LLVKDONJSA-N 395.253 2.966 0 40 GFAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)NC(C)C 8475932 UTMKQECRSRIXRL-UHFFFAOYSA-N 388.489 2.580 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1c[nH]c3ccccc13)C2=O 8503575 QUYHAFAXHBRLCK-UHFFFAOYSA-N 396.491 2.717 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 18134550 SBJOGHQPCCSRSC-INIZCTEOSA-N 376.503 2.952 0 40 GFAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)/C=C/c1ccc2ccccc2n1 84595070 USAMIYMGWIYBTN-ZNFPLGDCSA-N 377.366 2.918 0 40 GFAB CCOC(=O)[C@@]1(C)CCCN1C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 89978161 VCGPHXSQWTUURO-OAQYLSRUSA-N 385.464 2.610 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1NC(C)=O 408560279 OGASLYOHJCCHCU-UHFFFAOYSA-N 392.477 2.573 0 40 GFAB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 39556374 WCEOGBNAABWJOZ-RQNDZEIBSA-N 396.516 2.730 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 504268150 SQJFPBQPHGBKIT-MTNREXPMSA-N 388.508 3.000 0 40 GFAB biogenic CC(C)Cn1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(C(F)F)n1 529047067 UATDCDOPBHEVLB-NEPJUHHUSA-N 390.456 2.660 0 40 GFAB O=C(COC(=O)c1cccnc1Cl)NCc1ccccc1Br 72330779 YUMYWWDYAFGHBV-UHFFFAOYSA-N 383.629 2.971 0 40 GFAB COCCN1CCC(Cc2nc(C)ncc2C(=O)Nc2ccc(OC)cc2)CC1 72354981 WRQDZOITVYNLEM-UHFFFAOYSA-N 398.507 2.947 0 40 GFAB CC1CCN(C(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38835736 SBLFJUNQKAQRQJ-MRXNPFEDSA-N 386.901 2.516 0 40 GFAB CCC(=O)N[C@H](C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccccc1 566344231 JARXNKIWMSSHEO-FQEVSTJZSA-N 397.406 2.685 0 40 GFAB O=C(c1csc(-c2ccccc2)n1)N1CC(c2nc(-c3ncccn3)no2)C1 49482792 PMPDMTQLFPLNNZ-UHFFFAOYSA-N 390.428 2.890 0 40 GFAB COc1ccc(-c2noc(CNC(=O)COc3ccccc3F)n2)c(OC)c1 222779095 DOEPNLCGEHXXKX-UHFFFAOYSA-N 387.367 2.588 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222947389 RNJHILMLZNRSOC-ZDUSSCGKSA-N 396.896 2.992 0 40 GFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220145360 IXNIFJASYHGHBE-INIZCTEOSA-N 390.505 2.865 0 40 GFAB Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 576168283 CUTVIOPSWOLCAS-MRXNPFEDSA-N 393.427 2.972 0 40 GFAB Cc1cc(C(=O)NCCOc2ccccc2Cl)ccc1NS(C)(=O)=O 224086656 AXJMPVMBUCTPFN-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB Cc1cccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 222684397 OKTVCRBTUDJYMX-UHFFFAOYSA-N 392.496 2.645 0 40 GFAB CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 225403950 KOSQPHAJHWUXBJ-INIZCTEOSA-N 375.446 2.742 0 40 GFAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccccc3C(C)C)c(=O)cc2C1 96105736 HJEHEEYEGLHHQM-UHFFFAOYSA-N 398.463 2.520 0 40 GFAB COC1(c2nc(C3CC3)no2)CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 583615885 JAMRFOWKSYLFPY-MRXNPFEDSA-N 379.407 2.896 0 40 GFAB O=C(NCC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccc(F)c(F)c1 585080224 MSZWGQDKGALSPQ-HNNXBMFYSA-N 392.377 2.904 0 40 GFAB CN(C)C(=O)c1ccc2ccc(N3CCN(C(=O)c4ccccc4)CC3)n2c1 96155991 QNNJGLRWSUHYIV-UHFFFAOYSA-N 376.460 2.604 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc(C)c1 96518292 MLWSAHKFIIKQKA-LLVKDONJSA-N 386.638 2.940 0 40 GFAB CCC1=NC2(CCC(C(=O)Nc3ccc(F)cc3)CC2)C(=O)N1CCOC 96261387 NYOYGROTEJJIKT-UHFFFAOYSA-N 375.444 2.990 0 40 GFAB Cc1cc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)cc(C)n1 247870954 KYJNSBIKFQUMCB-SFHVURJKSA-N 376.522 2.842 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)NC[C@@H](c1ccco1)N1CCSCC1 253407723 WRURICBDALZSJV-AAKUMTKESA-N 378.519 2.960 0 40 GFAB O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 257248036 JBTKEMJPTBKULM-DEOSSOPVSA-N 394.515 2.737 0 40 GFAB CN1CCC(n2cc(NC(=O)c3ccc4c(c3)nc(O)n4C3CC3)cn2)CC1 634095436 DILQHXJJDOFJIE-UHFFFAOYSA-N 380.452 2.792 0 40 GFAB Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1cc(C2CCCCCC2)[nH]n1 668884540 MLOPEVKIUNAYIW-UHFFFAOYSA-N 377.470 2.602 0 40 GFAB CC(C)c1ccc(CCNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 33028211 TYOXRJYRDLNWCE-OAHLLOKOSA-N 399.516 2.596 0 40 GFAB CC(C)(C)c1cnc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)o1 46503532 AKNJFSCWILCRRY-QGZVFWFLSA-N 385.464 2.599 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1Cl 95998657 LGSAAFQSLCLSON-ZDUSSCGKSA-N 396.900 2.763 0 40 GFAB COc1ccccc1CNC(=O)Cn1nc(-c2ccc(C)cc2C)ccc1=O 5401399 MJDCIEJQUFWYLF-UHFFFAOYSA-N 377.444 2.852 0 40 GFAB Cc1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1N 5993280 LQVCCZOESYBBJU-UHFFFAOYSA-N 381.505 2.664 0 40 GFAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccco1 11612917 MAHRDROFBZKDFS-OAHLLOKOSA-N 380.441 2.668 0 40 GFAB COc1ccccc1-c1noc([C@H](C)NS(=O)(=O)c2ccc(F)cc2)n1 13495129 XVDBGMCSNSJGBD-NSHDSACASA-N 377.397 2.924 0 40 GFAB CCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(OC)cc(OC)c2)C1=O 15314824 VDGVVZXMWMWISI-FQEVSTJZSA-N 391.468 2.923 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2Cl)cc1 16691831 YGUCUEOVFCLESD-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB COc1ccc2c(c1)c(CN1CCCC[C@@H]1CN1CCCCC1)cn2CC(N)=O 19563244 MRTXRBLBJOWZIM-LJQANCHMSA-N 398.551 2.976 0 40 GFAB CN(C)C[C@@H]1CN(C(=O)c2ccccc2F)C[C@]12CCc1ccccc1C(=O)N2 19583349 JPTQHBJSCOIBCQ-UZUQRXQVSA-N 395.478 2.574 0 40 GFAB CCn1nc([C@@H](C)C(=O)N2CCC(CCN(C)C)CC2)c2ccccc2c1=O 19660546 ANZCAWGZIQQVOS-MRXNPFEDSA-N 384.524 2.710 0 40 GFAB Cc1cc(N)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2)n1 19660738 VDTPDYIDNFOSPM-FQEVSTJZSA-N 391.475 2.979 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCCCN4C)n3CC1)CCCC2 19706448 RHYRJPLGNBDBQM-KRWDZBQOSA-N 397.523 2.914 0 40 GFAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)C1 19709290 HDDJUNGYZWDZMU-FQEVSTJZSA-N 381.524 2.679 0 40 GFAB COC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1ccc(C)cn1)C(F)(F)F 19944459 MNYWUUBALOUMKE-QGZVFWFLSA-N 381.354 2.972 0 40 GFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)cc2n1 100137883 KLAJYCBOWHHLLV-HNNXBMFYSA-N 383.452 2.687 0 40 GFAB CCn1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)nc2ccccc21 10652146 HKVAOEAJNVOONB-LBPRGKRZSA-N 390.440 2.501 0 40 GFAB CCc1ncnc(N(C)CC2CCN(c3cc(C)nc4ccnn34)CC2)c1F 1888901037 NNDDEOBJOFUCTL-UHFFFAOYSA-N 383.475 2.882 0 40 GFAB Cn1cnc2c(N3CC[C@H](COc4cccc(C(F)(F)F)n4)C3)ncnc21 1889148731 NHVCXUJZTDNEPS-NSHDSACASA-N 378.358 2.682 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 24104927 GGPWSXYVEVVSNT-UHFFFAOYSA-N 397.456 2.697 0 40 GFAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NC1CCCCC1 4166689 DOXLGOZCOOVMQV-UHFFFAOYSA-N 386.456 2.891 0 40 GFAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)c1 5409515 OWYPCYZUCYPHHK-UHFFFAOYSA-N 383.379 2.705 0 40 GFAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 11027224 VFOSGLKZHFVPSS-GKHXVQBSSA-N 379.541 2.855 0 40 GFAB Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1F 16844596 KZURIXMBYJRMCO-UHFFFAOYSA-N 389.456 2.868 0 40 GFAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 247938070 FKIIGMYGMSPYQL-MJXNMMHHSA-N 393.447 2.954 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 1008585 PRDISYACXFARBW-UHFFFAOYSA-N 397.460 2.566 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 31208327 KQOXJNJUPOYTQC-SFHVURJKSA-N 396.535 2.646 0 40 GFAB O=C(CCn1cncn1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31938582 RHGSXPADTKVIQB-UHFFFAOYSA-N 381.505 2.741 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(O)c1Cc1ccc(Br)cc1 101075153 BGIBFTYFQLQZHM-ZDUSSCGKSA-N 385.283 2.610 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1ccc(N2CCCC2=O)cc1 32747913 DCNSTMAJONFFEX-GOSISDBHSA-N 380.444 2.654 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC1=O 32730251 LEXRYNGFDKXHDK-LPHOPBHVSA-N 399.466 2.606 0 40 GFAB COc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1S(N)(=O)=O 102385428 FTTPKWYZTANMOI-SKLAPFLYSA-N 398.912 2.859 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NCCc1cnn(-c2ccccc2)c1 32893076 ZNNWUKZKTHFDCB-UHFFFAOYSA-N 376.416 2.529 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2Cc2ccco2)c1 32988102 AYMQNKSRZOVMNA-UHFFFAOYSA-N 379.825 2.834 0 40 GFAB Cc1ccc(I)cc1S(=O)(=O)n1nnc2ccccc21 1437120 YMGFLPDHOBKJDL-UHFFFAOYSA-N 399.213 2.581 0 40 GFAB CCn1c(COc2ccc(Cl)c3cccnc23)nnc1SCC(N)=O 1452054 QGMQMOGZMHBKJQ-UHFFFAOYSA-N 377.857 2.656 0 40 GFAB CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2148094 WRYNFKDCCOOQAP-XJKSGUPXSA-N 375.421 2.937 0 40 GFAB biogenic COc1ccc(OC)c(NC(=O)COC(=O)CCNc2ccccc2OC)c1 3273588 DLUDPGKEYGNRHI-UHFFFAOYSA-N 388.420 2.696 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2OC)cc1 4581031 WQHVKVNNUCPLCU-UHFFFAOYSA-N 377.780 2.931 0 40 GFAB O=C(Cn1c(SCC(=O)N2CCCC2)nc2ccccc21)NC1CCCC1 4859101 YCRWVLFALPFJCS-UHFFFAOYSA-N 386.521 2.810 0 40 GFAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 4911367 KFSHKMFQOGMSMN-CQSZACIVSA-N 392.868 2.647 0 40 GFAB O=C(CSc1nnnn1-c1cccc2c1CCCC2)NCc1ccccc1 4968122 FWNVCBGRVXXDAU-UHFFFAOYSA-N 379.489 2.950 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250723 FOOVLRSJZLLUGH-UHFFFAOYSA-N 398.481 2.865 0 40 GFAB COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 5255257 HKSDABXANGLWGR-UHFFFAOYSA-N 393.852 2.877 0 40 GFAB COC(=O)N1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 5255258 HYUDRLHNEKQIMS-UHFFFAOYSA-N 393.852 2.877 0 40 GFAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 5577341 JLXRASFVFFTWFY-UHFFFAOYSA-N 389.429 2.809 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1C 6282033 JTNWDNSKTPDOAC-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(OC)cc2)cc1 7217141 KAAKGDMUVIWMST-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(C)c1 7604552 CHYYLWIIGQWUEB-UHFFFAOYSA-N 392.477 2.709 0 40 GFAB C[C@H]1Cc2cc(C(=O)NCc3cccc(Cl)c3)ccc2N1S(C)(=O)=O 8076987 MSRJXJSYJJMKKU-LBPRGKRZSA-N 378.881 2.981 0 40 GFAB CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(N)=O 8253781 TUJDVKWUJLADAY-UHFFFAOYSA-N 392.839 2.621 0 40 GFAB COc1ccc(-c2csc(CC(=O)N3CCOCC3)n2)cc1Br 8297830 OOLBVCXDFNDOCP-UHFFFAOYSA-N 397.294 2.983 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(-n2cnnn2)c1C 8718166 KPCJTRGYWSCFEQ-UHFFFAOYSA-N 376.424 2.857 0 40 GFAB COc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1 9318359 PDVSNQHQASXIHK-CYBMUJFWSA-N 379.372 2.994 0 40 GFAB Nn1c(SCc2ccc(Br)cc2)nnc1-c1[nH]nc2c1CCC2 9324490 KBFBVPIFAHLPQC-UHFFFAOYSA-N 391.298 2.926 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NCCCN(C)C)c1 10312804 FOOUUDXSIXGXRC-UHFFFAOYSA-N 385.464 2.638 0 40 GFAB COc1ccccc1NC(=O)Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2 11695863 MNOQMUFOLRECNC-UHFFFAOYSA-N 397.475 2.651 0 40 GFAB Cc1noc(C)c1C(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086425 JRTYMYVXRHOLOL-KKSFZXQISA-N 383.448 2.926 0 40 GFAB CC(=O)[C@H]1C[C@@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C1(C)C 12186047 UNNVXXLUQLPZLR-DOTOQJQBSA-N 384.476 2.769 0 40 GFAB Cn1c(=O)c2c(nc3n(C4CCCCC4)c(-c4ccccc4)cn23)n(C)c1=O 12427915 JNIWKYUKKJXPQS-UHFFFAOYSA-N 377.448 2.859 0 40 GFAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)NCc4ccc(Cl)cc4)cc13)CC2 12444941 DWJDWHLOQHSUJF-UHFFFAOYSA-N 388.876 2.998 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cnc4ccccn4c3=O)n2)C1 12757398 HNPSHRHGKAIJML-ZIAGYGMSSA-N 397.504 2.881 0 40 GFAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cccc(-n2cnnn2)c1 12766923 ZNJUHVHDQZNMHM-UHFFFAOYSA-N 376.420 2.587 0 40 GFAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCc2ccccc21 12974138 WMELHQHIJTVVKU-UHFFFAOYSA-N 385.427 2.562 0 40 GFAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(C(=O)C2CC2)CC1 12985201 FLSOJGDMEZAWPT-LBPRGKRZSA-N 383.464 2.883 0 40 GFAB COc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 13048592 FNLXHLNYZKFCMP-UHFFFAOYSA-N 389.477 2.542 0 40 GFAB CC[C@H](C(=O)NCc1ccccn1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716364 NTNVNPMNKGEOFC-GOSISDBHSA-N 375.494 2.559 0 40 GFAB O=C(COCC(=O)N1CCc2ccccc2C1)NCCc1ccc(Cl)cc1 13942272 JWKPRXMTGBRPPY-UHFFFAOYSA-N 386.879 2.600 0 40 GFAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 14019365 BPEBKZSGQYMNJK-OAHLLOKOSA-N 376.453 2.889 0 40 GFAB CC1CCN(CCCNS(=O)(=O)c2ccccc2Br)CC1 14166963 SGGMAFAHSGKANH-UHFFFAOYSA-N 375.332 2.849 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCCCCOc1ccc(F)cc1 14199631 LLMYNIZMDYVGNW-UHFFFAOYSA-N 386.423 2.917 0 40 GFAB Cc1c(Cl)cccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O 16249962 BKMLYVXETFCBFV-UHFFFAOYSA-N 380.897 2.773 0 40 GFAB CCCn1c(=O)n(CC(=O)OCC(=O)c2ccc(F)c(F)c2)c2ccccc21 17244319 LZENAPPDNLAXQJ-UHFFFAOYSA-N 388.370 2.917 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3cccc(F)c3)C2)c2cccnc21 19021822 OTMLXRGAQUSSGA-KRWDZBQOSA-N 381.455 2.696 0 40 GFAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CCc2ccno2)cc(=O)[nH]1 19240973 OYKXDWTXGJWEPQ-SFHVURJKSA-N 391.431 2.580 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3ccccn3)C2)n1C 19289279 CDJQNYZIDKVLAZ-LSDHHAIUSA-N 386.525 2.512 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1CCC(c2nnc3n2CCCCC3)CC1 19349621 IYAXPZABGDLBIQ-UHFFFAOYSA-N 392.500 2.853 0 40 GFAB CN(C)C[C@H]1[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 19366383 PIJASLBJPRDNRA-QZNHQXDQSA-N 386.536 2.632 0 40 GFAB Cc1nc(-c2cncnc2[C@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)no1 19693845 NPPJYDIHXBLSFF-AWEZNQCLSA-N 397.410 2.759 0 40 GFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)C1CCCCC1)CC2 19710297 NMVCIUDIBXWFJH-QGZVFWFLSA-N 399.539 2.709 0 40 GFAB Cc1cc2nc(CSc3nnc(NC(=O)c4ccccc4)s3)cc(=O)n2o1 20984478 DSNUOGPWFOOXLW-UHFFFAOYSA-N 399.457 2.992 0 40 GFAB CC(C)NC(=O)CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O 21942597 MEEFMTLAXBROEP-UHFFFAOYSA-N 391.880 2.621 0 40 GFAB Fc1ccc(-c2noc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 22800159 JTWWWRIQCNMZAW-UHFFFAOYSA-N 396.422 2.922 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1 23762496 HYKVGJBWBTUQDQ-KRWDZBQOSA-N 378.494 2.557 0 40 GFAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCc2nc(-c3cccs3)no2)no1 24207683 MUOMTSOWLVUMEH-JTQLQIEISA-N 376.394 2.598 0 40 GFAB CCNC(=O)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 24625258 HZYLKRQJKZISFJ-UHFFFAOYSA-N 382.460 2.888 0 40 GFAB O=C(CCc1nc(-c2ccccn2)no1)Nc1cccc(N2CCOC2=O)c1 24985563 PVKNQWMEUIINMU-UHFFFAOYSA-N 379.376 2.660 0 40 GFAB CC(=O)N1C[C@@H](C(=O)OCc2nc(-c3ccc(F)cc3)no2)Oc2ccccc21 25075880 DPPBJNWARQLELZ-KRWDZBQOSA-N 397.362 2.733 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc4cn[nH]c4c3)ccc21 25790835 JGUNFASVAFJBSO-LBPRGKRZSA-N 377.400 2.900 0 40 GFAB COc1ccc2c(C)c(CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c(=O)oc2c1 27151185 IOIXROGEUFCNFA-UHFFFAOYSA-N 393.399 2.851 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)NCCc1cccc2cccnc12 29452650 ZSAKXURYYXXLRY-UHFFFAOYSA-N 380.473 2.720 0 40 GFAB CC(C)(C)c1noc(CCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 32724661 NXTUZSHIKXVMBS-UHFFFAOYSA-N 398.507 2.579 0 40 GFAB CN(C)C(=O)[C@H](c1ccccc1)n1nnc(-c2ccc(Br)cc2)n1 32741708 JYKLKSYHDBIJNK-HNNXBMFYSA-N 386.253 2.780 0 40 GFAB O=C(CSc1ccncc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33023941 QJDZYAOTANCXCE-UHFFFAOYSA-N 391.518 2.987 0 40 GFAB COc1ccc(CCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 36438424 VIEJJHGBTKDTSK-UHFFFAOYSA-N 394.924 2.898 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2cc3cc(OC)ccc3n2C)cc1 36575947 QVZQGAKONOWSKO-CQSZACIVSA-N 395.459 2.630 0 40 GFAB CS(=O)(=O)Nc1ccccc1NS(=O)(=O)C1=Cc2ccccc2CC1 42006454 SQXWBIVXJUXTTF-UHFFFAOYSA-N 378.475 2.787 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(N4CCOC4=O)c3)cnc12 43770050 ATYMOSGHEVCZEN-UHFFFAOYSA-N 392.415 2.690 0 40 GFAB CN(C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)C1CCCC1 44880480 PTNCUDXTWJYICC-UHFFFAOYSA-N 378.416 2.872 0 40 GFAB COc1ccc(F)cc1[C@H](C)NC(=O)NCCNC(=O)c1ccccc1F 50116425 IUNYJQSXCKXDDJ-LBPRGKRZSA-N 377.391 2.764 0 40 GFAB O[C@H](COc1ccc2ccccc2c1)CSc1nnnn1C[C@H]1CCCO1 52816342 ZGUURVUPQCGURP-SJLPKXTDSA-N 386.477 2.537 0 40 GFAB CCn1cc(S(=O)(=O)NCc2ccccc2N2CCC[C@@H](C)C2)c(C)n1 54993644 LAFLPGGUIYABCU-OAHLLOKOSA-N 376.526 2.926 0 40 GFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CSCN1C(=O)c1ccccc1 55311289 PBWWVMDNMKXXHH-PMACEKPBSA-N 395.528 2.592 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408725 OASMFPSSMUXDAN-LEWJYISDSA-N 398.528 2.824 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903528 DMIAXVMPLIKWKA-QGZVFWFLSA-N 389.459 2.655 0 40 GFAB CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)Nc2nc(CC)c(C)s2)C1 58393243 RLAXYVGSQWNIGK-ZFWWWQNUSA-N 380.558 2.969 0 40 GFAB O=C(O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1N1CCSCC1 58433370 WLYIAPVIZZFRLS-UHFFFAOYSA-N 396.465 2.878 0 40 GFAB O=C(C1CCN(Cc2ccccc2)CC1)N1CCC(CCN2CCOCC2)CC1 64346815 JGFHSUSYOLHBGT-UHFFFAOYSA-N 399.579 2.860 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)N(C)C2CCCCC2)c(=O)c1CCO 67300248 WVIZNFTXEPEYMN-UHFFFAOYSA-N 383.492 2.545 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1Cl 71287820 JTEGBNRNIRCLIG-UHFFFAOYSA-N 390.846 2.949 0 40 GFAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)Cc2ccccn2)nc1C 72345508 RZBPHOVHSONHCV-LJQANCHMSA-N 395.507 2.958 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2cccc(Cl)c2C)cc1 77184818 ZZGKYZCECVFWFD-SFHVURJKSA-N 383.897 2.929 0 40 GFAB CCOC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O 85224440 UNODBEGRDZATSD-KRWDZBQOSA-N 387.457 2.956 0 40 GFAB CSc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)c1 89914335 PEPIOBQRSIVUEN-KRWDZBQOSA-N 375.475 2.876 0 40 GFAB Cc1cc(C)n(-c2nc(CCNC(=O)C(=O)c3c[nH]c4ccccc34)cs2)n1 90609332 OLUVAJSYFYUCIW-UHFFFAOYSA-N 393.472 2.969 0 40 GFAB CN(C(=O)CN1CSCC1=O)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 95958543 NFMVBDLHNYAIHY-AWEZNQCLSA-N 387.530 2.911 0 40 GFAB CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 95999512 UJPOKFXGPUURBH-HNNXBMFYSA-N 398.492 2.622 0 40 GFAB CCC(CC)N(CCOC)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 97261944 MVZITTMNEWYCFG-UHFFFAOYSA-N 382.526 2.676 0 40 GFAB CC1(C)[C@]2(C(=O)NCCN)CC[C@]1(C)[C@@H](OC(=O)C(Cl)(Cl)Cl)C2 103707949 RFTGQCIGPGBFLY-CUOATXAZSA-N 385.719 2.560 0 40 GFAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)/N=c2/sccn2C)cc1 104675423 HHVVKSSOUUJTIN-WUKNDPDISA-N 375.479 2.534 0 40 GFAB COc1cc(CC[C@H](O)CC(=O)CC[C@H]2CC[C@@H](O)[C@@H](OC)C2)ccc1O 169748439 XMNDMZNXKHJPKM-DGCVBNHASA-N 380.481 2.610 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1ccnc1-c1ccccn1 217864561 QNUIAZVALVXLAR-UHFFFAOYSA-N 376.869 2.885 0 40 GFAB CC(C)Oc1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 223845575 BVOICUSBMNIMGX-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB Cc1nc(N2CCC(NC(=O)Cc3c(C)noc3C)CC2)cc(C(F)(F)F)n1 225726994 MIRJQCORXIYJKB-UHFFFAOYSA-N 397.401 2.736 0 40 GFAB COc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CC2)cc1OC 225939877 ZBFKYFSLHITSST-UHFFFAOYSA-N 390.461 2.641 0 40 GFAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N[C@@H](C)CC)c(C)n3n2)C1 257275064 NNTLWCIFFBKAOW-YOEHRIQHSA-N 399.539 2.919 0 40 GFAB Cc1ncc(-c2nccnc2C2CCN(C(=O)Cc3cccnc3)CC2)n1C 257318899 VPWSTCYUGGRFTB-UHFFFAOYSA-N 376.464 2.529 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)cc1Cl 260838526 SMZXMOVLDJUPIO-SGTLLEGYSA-N 392.864 2.896 0 40 GFAB COCCN1CCC[C@]2(CN(Cc3cccnc3Cl)CC(F)(F)C2)C1=O 306133158 MDRSTCAQZICZFT-KRWDZBQOSA-N 387.858 2.831 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408603564 KWNNESDOAVDAHK-INIZCTEOSA-N 382.526 2.935 0 40 GFAB O=C([C@H]1CCc2cncn2C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 579870792 HPNZCHHIUOIMRR-KRWDZBQOSA-N 376.464 2.637 0 40 GFAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2Cl)n1 604382055 BGTJKRQOHHMKRI-HNBVOPMISA-N 389.927 2.944 0 40 GFAB biogenic,in-vitro CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1cc(Br)ccc1N1CCOCC1 626300847 BDGRQOVWKSLXEL-XBXGTLAGSA-N 398.301 2.520 0 40 GFAB Cc1nnc([C@@H]2CCCN(C(=O)NC3CCN(CCc4ccccc4)CC3)C2)o1 650626672 CQZMGVXBHFUIBU-LJQANCHMSA-N 397.523 2.974 0 40 GFAB Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(=O)C3(F)CCC3)C2)C1 1565543975 OGWFORZGWMFYQW-LJQANCHMSA-N 379.476 2.625 0 40 GFAB CC(C)CNC(=O)c1cc2c(CNC(=O)C3CC(F)(F)C3)nn(C)c2s1 1565545919 OQYHMVRAPYSINM-UHFFFAOYSA-N 384.452 2.682 0 40 GFAB Cn1ccc(NC(=O)CN2CCC[C@@H]2c2csc(Nc3ccccn3)n2)n1 1615129313 HGKURKSXPNCLQT-CQSZACIVSA-N 383.481 2.791 0 40 GFAB Cc1ncnc(N(C)CC2CCN(c3ncc(Br)cn3)CC2)c1F 1888866409 XRZKWLTUUZUNAA-UHFFFAOYSA-N 395.280 2.829 0 40 GFAB CC(=O)N1CCN(c2ccc(C)cn2)C[C@H](Cc2ccnc3cccnc23)C1 2037838315 CTQYHOMVSXGYPF-GOSISDBHSA-N 375.476 2.861 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037840580 NUZRBTNUEJNQCY-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB O=C1CN(C2CCN(c3ncnc4c3CCCC4)CC2)C(=O)N1c1ccccc1 2298061982 LRUVSTSHQMTHTE-UHFFFAOYSA-N 391.475 2.793 0 40 GFAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1 2298205950 ILLABMCFHGPHAE-TXEJJXNPSA-N 391.244 2.587 0 40 GFAB CC(C)c1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)s1 1379491 ATXSQAJQXNRCIO-CYBMUJFWSA-N 398.485 2.592 0 40 GFAB C[C@@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C[C@H](c2ccccc2)O1 78871833 GWQPZBGLNLQFMV-FOIQADDNSA-N 390.443 2.573 0 40 GFAB CCN(CCN(C)CC(F)(F)F)C(=O)c1cccc(CN2CCCC2=O)c1 79022900 CCRCHCOVJRWGHA-UHFFFAOYSA-N 385.430 2.765 0 40 GFAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(Br)ccc1Cl 79042521 QXWPYFSSCSJPGG-VIFPVBQESA-N 382.707 2.998 0 40 GFAB Cc1ccnn1Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1 2731107 BCIJSTYHCGCEQD-UHFFFAOYSA-N 395.391 2.955 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4553366 BIKOHLLBMQDSFE-VHKOSHJNSA-N 391.265 2.807 0 40 GFAB COc1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)n2N)cc1OC 23223326 NDKDJSDZCMPJLJ-VIFPVBQESA-N 375.281 2.962 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 57121743 TZDRSSMSWGUKQZ-UHFFFAOYSA-N 390.461 2.802 0 40 GFAB Nc1nc(COC(=O)CCc2ccc3c(c2)OCO3)nc(Nc2ccccc2)n1 10741800 MILVPPUGLSCGNQ-UHFFFAOYSA-N 393.403 2.602 0 40 GFAB Cc1cccc(C(=O)O[C@@H](C(=O)N2CC(=O)Nc3ccccc32)C(C)C)c1O 42941728 KJOSOHOHGUILOH-LJQANCHMSA-N 382.416 2.867 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCc3cc(C(F)(F)F)ccc32)C1 24473157 PMUKFYKGAWKAGG-ZDUSSCGKSA-N 390.427 2.656 0 40 GFAB CCn1c(CNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)nc2ccccc21 24537643 WJNNZRZSWHOBMI-HNNXBMFYSA-N 392.459 2.877 0 40 GFAB CC(C)(C)n1cc(CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)cn1 106145483 QWADZIOMVXEEIK-UHFFFAOYSA-N 395.551 2.735 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@@H](C)O1 12521308 LXEBPWXOLZQXAT-ZIAGYGMSSA-N 392.452 2.876 0 40 GFAB O=C(CN1CCN(C(=O)CC2CCCC2)CC1)Nc1ccc(N2CCCC2)cc1 12536745 SSFRRTFHTKAJGB-UHFFFAOYSA-N 398.551 2.950 0 40 GFAB COc1ccc(CCNC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9040531 URCULJADZQRSOR-GOSISDBHSA-N 381.476 2.898 0 40 GFAB Cc1cccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 22327453 XWKFVUDOZLXTOS-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)NCC(C)(C)N2CCCCC2)cc1 27412981 WKXNVGYQEVTYDW-UHFFFAOYSA-N 387.553 2.923 0 40 GFAB COC(=O)N1CCC(NC(=O)NCc2ccccc2CN(C)C(C)C)CC1 58172245 LFQCFPOZDSOYIZ-UHFFFAOYSA-N 376.501 2.557 0 40 GFAB O=C(Cn1ncc(-c2ccccc2)nc1=O)Nc1cccc(Br)c1 44803928 YRXYBHOHPSZWTR-UHFFFAOYSA-N 385.221 2.707 0 40 GFAB COC(=O)c1sc(NC(=O)c2cn(-c3ccccc3Cl)nn2)nc1C 58224745 YLOTUVIXHXAGBQ-UHFFFAOYSA-N 377.813 2.725 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 44999077 MTVGIDRHOJIVBG-DNVCBOLYSA-N 380.444 2.699 0 40 GFAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)c(C)c2oc1=O 2107997 DXOPKKWFXXMZGM-BBRMVZONSA-N 375.421 2.711 0 40 GFAB biogenic Cc1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1C 12792919 IPURCLZJQWBBGH-SFHVURJKSA-N 389.521 2.749 0 40 GFAB CC(C)c1ccc(CN(C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 12760826 ONOWHCPCNCVMDK-HXUWFJFHSA-N 381.476 2.521 0 40 GFAB CCCN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)nn(C)c1Cl 58439524 SKJWSCMQGPYFHY-CYBMUJFWSA-N 398.916 2.810 0 40 GFAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccccc2)cc1 2400938 FCMYGUDSBVUMFK-UHFFFAOYSA-N 385.427 2.651 0 40 GFAB CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(Oc2ccccn2)CC1 72308078 GBYZZBLVDPNDRR-LJQANCHMSA-N 382.464 2.512 0 40 GFAB O=C(NCCNC(=O)c1c(F)cccc1F)c1nc(C2CCCCC2)no1 21452434 JRDQXUOTLAKKHJ-UHFFFAOYSA-N 378.379 2.555 0 40 GFAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 12804641 YRUUJVWFXKXHJK-UHFFFAOYSA-N 380.187 2.959 0 40 GFAB O=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc(OC(F)F)cc1 2621759 YGEHYALIYXLXON-UHFFFAOYSA-N 381.306 2.583 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 12874496 XCPUCURXPLNURR-SFHVURJKSA-N 393.443 2.703 0 40 GFAB Cc1ccc(CNC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1F 12907360 NYONFAYSHSQLQQ-UHFFFAOYSA-N 399.466 2.807 0 40 GFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 13296723 FTMJEBMLXBKSHP-KRWDZBQOSA-N 392.864 2.822 0 40 GFAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(N)=O)c2ccccc12 111672093 LLDJCUKHVKGRII-WQRHYEAKSA-N 390.468 2.731 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 409127309 CIRVLQCGTHRSQH-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1cccs1 13691731 DZOYPWXHMCPMQW-UHFFFAOYSA-N 383.473 2.880 0 40 GFAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(Cl)cc4)sc3nc2=O)cc1 5006667 XHIDMVZMVDLWNG-GZTJUZNOSA-N 395.871 2.612 0 40 GFAB COc1cc(-c2nc(CC(=O)N3CCC(=O)CC3)cs2)cc(OC)c1OC 13733606 JUMDCPJPBPDXRE-UHFFFAOYSA-N 390.461 2.570 0 40 GFAB COc1ccc(OCCCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 5218330 PTRUMXNRSGLRJD-UHFFFAOYSA-N 382.416 2.914 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCC(O)CC2)c1 14093742 BPVSQAKCNPWENB-UHFFFAOYSA-N 388.489 2.545 0 40 GFAB CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 22276727 MAEXPUROZUDSAJ-UHFFFAOYSA-N 386.395 2.955 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 5427072 QLTDJNLCFQACAO-PKOBYXMFSA-N 389.455 2.642 0 40 GFAB CCOc1cc(OC)ccc1C(=O)CN1C(=O)c2ccccc2O[C@@H](C)C1=O 6755219 ZJDGFWFABXVVNY-ZDUSSCGKSA-N 383.400 2.727 0 40 GFAB CSc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 5872117 SAFYWBZQYSXUMI-UHFFFAOYSA-N 386.549 2.640 0 40 GFAB CC(C)[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NC(N)=O 7843966 KLBNFOKCUNKAIA-ZDUSSCGKSA-N 379.511 2.577 0 40 GFAB Cc1cc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833587 YIBCAJJJTAVXTN-KGLIPLIRSA-N 378.519 2.636 0 40 GFAB Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2ccc(F)cc12 7953403 BTFHJAQQVOCVEW-UHFFFAOYSA-N 376.409 2.500 0 40 GFAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 8133269 NDVUKDWREHHRED-UHFFFAOYSA-N 399.451 2.806 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cn1 69452567 ZKUWQZPZNSVSBT-UHFFFAOYSA-N 394.250 2.981 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)nc2ccccc12 17636295 YNYRMFVLGULEBU-HNNXBMFYSA-N 384.432 2.958 0 40 GFAB C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1cc2ccccc2o1 8774460 RKZGDRYWQUCPRJ-ZDUSSCGKSA-N 397.456 2.739 0 40 GFAB CCOC(=O)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)Cc1ccccc1 84791192 PQAFMMACACHSGG-QGZVFWFLSA-N 379.453 2.667 0 40 GFAB COc1ccccc1N1CCN(CCNC(=O)Cc2ccc(Cl)cc2)CC1 56997307 QHRFVFWCBXCYDB-UHFFFAOYSA-N 387.911 2.830 0 40 GFAB COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCCN(C(=O)NC3CC3)C2)cc1 95998903 JOJCNJVDMXPNAL-CQSZACIVSA-N 383.452 2.722 0 40 GFAB CN(C)C(=O)c1cccc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)c1 21385698 VOEQZSLMXPMXHQ-UHFFFAOYSA-N 377.347 2.761 0 40 GFAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccco3)CC2)C1 306124826 CAMFJKHBYNKMEX-OAQYLSRUSA-N 397.519 2.603 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N(C)Cc1ccccc1 409391866 OXUDRALVNXFTCG-UHFFFAOYSA-N 390.505 2.719 0 40 GFAB CCc1ccc(C(=O)N2CCC(C(=O)N[C@H]3CCCc4nn(C)cc43)CC2)o1 512819989 FSTABIMGGDIODQ-KRWDZBQOSA-N 384.480 2.622 0 40 GFAB CCSc1nc2ncc3c(=O)n(-c4cc(OC)ccc4OC)ccc3n2n1 38783768 GXACUJXLBPXAED-UHFFFAOYSA-N 383.433 2.558 0 40 GFAB CCCCOc1ccc(C(=O)NCC(=O)NCCCn2nc(C)cc2C)cc1 33019718 XPVPAAOFPYTTBO-UHFFFAOYSA-N 386.496 2.615 0 40 GFAB COC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218124863 PKVFIFUSPJJAJM-OKZBNKHCSA-N 381.881 2.632 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 216275724 VLYWNVRBFXHZEK-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCCC2)c1 224350983 PTDWCFISUMRRRP-SILNSSARSA-N 381.476 2.961 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1c[nH]c2c(OC)cccc2c1=O 44901212 WUKLKJHGXPVWBJ-UHFFFAOYSA-N 381.388 2.756 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220865722 SBKWNJKDWNDTOU-HNNXBMFYSA-N 393.447 2.559 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc12 96241965 RRJBDVIGEJRGTM-INIZCTEOSA-N 378.538 2.772 0 40 GFAB CC(=O)N1CC(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)C1 585088634 RJEIJOWVESODHG-UHFFFAOYSA-N 382.445 2.544 0 40 GFAB COc1cccc(N[C@H]2COC3(CCN(C(=O)Cc4ccccn4)CC3)C2)c1 96221440 RINBDKQWHHNKET-LJQANCHMSA-N 381.476 2.895 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)n1 96116679 IHEXVRPFOYXTJG-UHFFFAOYSA-N 384.417 2.897 0 40 GFAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)NC(CO)CO)ccc3O2)cc1 257239188 HOHCMUYDNZSAKZ-XMMPIXPASA-N 397.515 2.758 0 40 GFAB CCC[C@@H]1NC(=O)N(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1=O 24835494 ORVVFGYQMWSOMJ-KXBFYZLASA-N 384.432 2.939 0 40 GFAB CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 257306306 STTPRSHOYRFTAT-QHCPKHFHSA-N 397.519 2.595 0 40 GFAB O=C(COc1ccccc1F)NCc1nnc2ccc(-c3cccs3)nn12 253397756 FYYHTHJHLVUZHZ-UHFFFAOYSA-N 383.408 2.687 0 40 GFAB CC(C)CCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382729 ZYSAQDSHHWKJOQ-VURPSTOHSA-N 387.499 2.819 0 40 GFAB biogenic,in-vitro CC(=O)Nc1cc(S(=O)(=O)NCC2([C@H]3CCCCO3)CCC2)ccc1F 632684392 CNPSQIQEZFHZRJ-QGZVFWFLSA-N 384.473 2.802 0 40 GFAB CCC[C@@H]1CCc2c(sc(=O)n2Cc2nnc([C@]3(OC)CCOC3)o2)C1 643646605 ZUYPHVUOIMCTFV-XIKOKIGWSA-N 379.482 2.508 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(C(=O)c2cccs2)s1 96026032 CDABCDVRVHMEGG-UHFFFAOYSA-N 395.531 2.869 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)nc1 655277105 NLDWHEIRKDJVTI-SFHVURJKSA-N 385.489 2.877 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCC(Oc3cnccn3)CC2)[nH]n1 90678069 GGYVQEHBJOBBAG-UHFFFAOYSA-N 379.420 2.559 0 40 GFAB Cn1cc(-c2cncc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)c2)cn1 575414771 QLESDNRDRBDPAL-UHFFFAOYSA-N 382.489 2.839 0 40 GFAB C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1nc(C2CC2)ccc1=O 585149949 KMLVVGRTJMGGJR-KRZKXXONSA-N 392.503 2.539 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CCC(C)C)C[C@@H]23)c1 585106010 CYHRHOGHIHCPIF-UXHICEINSA-N 383.536 2.694 0 40 GFAB COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1Br 155668354 CYKXMMAZKGCQHV-UHFFFAOYSA-N 393.285 2.846 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1OC[C@H]1CCCO1 32843336 RTPHVQGEMZANEC-QGZVFWFLSA-N 383.444 2.988 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 106624672 PZFCODLGOMLULL-NPPFBWRTSA-N 395.503 2.542 0 40 GFAB Clc1ncccc1-c1noc(CN2CCC(CCN3CCOCC3)CC2)n1 13992514 POXXFUOLKONUNL-UHFFFAOYSA-N 391.903 2.719 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1 14401431 RNNOYSLWUSAUSZ-UHFFFAOYSA-N 386.448 2.869 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3cccc(Cl)c3)C2)c2nccnc21 19021562 JJHPPRAVOBMXRJ-INIZCTEOSA-N 398.898 2.605 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19559023 SYULFWNLRZUKPT-ZDUSSCGKSA-N 386.883 2.804 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 19560089 YTTKYEDCDCDQSN-OAHLLOKOSA-N 381.461 2.883 0 40 GFAB CN1CCCc2ccc(NC(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)cc21 19714249 PTQOTKOXULWNRD-UHFFFAOYSA-N 378.476 2.831 0 40 GFAB CCn1cc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4n3C)C2)c(C)n1 19715571 DPVLNWSXKSHELL-MRXNPFEDSA-N 380.496 2.916 0 40 GFAB C[C@H](NC(=O)CC1CCN(C(=O)CN2CCCCCC2=O)CC1)c1ccccc1 19748551 IPRRKCMUHGEANW-SFHVURJKSA-N 399.535 2.895 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1 12255602 LVPRHCOZMVPWPY-CYBMUJFWSA-N 393.422 2.591 0 40 GFAB CC1(C)OCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1N1CCOCC1 661124188 WJKZTFSVYKKFBY-HNNXBMFYSA-N 381.904 2.791 0 40 GFAB COc1ccc(CCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 5965765 DHUVMQHVGVEJCE-UHFFFAOYSA-N 396.468 2.716 0 40 GFAB Cc1nc2ccccc2nc1N1CCN(c2ccnc(N3CCCC3)n2)CC1 1889192014 LXQCUPGQRPFHLC-UHFFFAOYSA-N 375.480 2.655 0 40 GFAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(C)CC1 22036820 XGASXMQFPBZLEO-UHFFFAOYSA-N 391.468 2.527 0 40 GFAB Cc1ccccc1Cn1nc2c(=O)n(-c3cccc(Cl)c3C)ccn2c1=O 244933189 CGCRKNVOWGOVBD-UHFFFAOYSA-N 380.835 2.965 0 40 GFAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)cc1C 2037912953 GJNYKPCDAOAZCA-JOCHJYFZSA-N 383.492 2.951 0 40 GFAB COc1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1 4032773 ZOMFCADUOBTQOX-UHFFFAOYSA-N 382.416 2.526 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)N1CCCCCC1 4479100 RMDVUNQXWKUTRN-UHFFFAOYSA-N 385.855 2.638 0 40 GFAB O=C(NC1CCCCCC1)c1nc(O)c2nnn(Cc3ccc(F)cc3)c2n1 12374481 HDWWENNABSFYOT-UHFFFAOYSA-N 384.415 2.567 0 40 GFAB O=C(NC1CC1)C1(Nc2cccc(F)c2)CCN(CC2CCOCC2)CC1 2055745558 JSCGKJVJUUBAIP-UHFFFAOYSA-N 375.488 2.777 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140878 NJHZLQNLESCVSF-UHFFFAOYSA-N 393.494 2.706 0 40 GFAB COc1ccc2nc(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)ccc2c1 2086889541 PLNNTWYCUPWJKS-OAHLLOKOSA-N 375.494 2.636 0 40 GFAB O=C(NCCN1Cc2ccccc2OCC1=O)c1cc2cc(Cl)ccc2[nH]1 225770351 MNLKADYDTJPWJK-UHFFFAOYSA-N 383.835 2.972 0 40 GFAB Cc1nc(N2CCN(C(=O)c3noc4c3CCCC4)CC2)cc(C(F)(F)F)n1 225733088 QHALCFPEZZDFHC-UHFFFAOYSA-N 395.385 2.633 0 40 GFAB Cc1ccc(CNC(=O)C2CCN(C(=O)Cc3c(C)noc3C)CC2)cc1F 40113964 OZNFDHBYYAEQGM-UHFFFAOYSA-N 387.455 2.836 0 40 GFAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20391316 QDTOPUFDAJCWCZ-GHMZBOCLSA-N 379.844 2.656 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc(-n3cncn3)cc1)O[C@H](C)C2 32741020 CETATOBQVCKWIH-CQSZACIVSA-N 378.432 2.919 0 40 GFAB C[C@H]1C(=O)N(C[C@H](O)COc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 32751006 YAXRVBUWCUBTLD-LRDDRELGSA-N 376.359 2.562 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCc2ccccc21 32956993 KBHAUPCRYQPXCC-HXUWFJFHSA-N 399.516 2.628 0 40 GFAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 12201176 VGMLDHMFBPPGIU-UHFFFAOYSA-N 394.836 2.803 0 40 GFAB Cc1ccn(-c2cccc(NS(=O)(=O)c3cc(C(=O)O)ccc3F)c2)n1 78953805 NHPQPLCLQJJHLL-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB C[C@H](OC(=O)CCNC(=O)Nc1ccccc1)C(=O)N1[C@@H](C)CCC[C@H]1C 104099566 ODOHMMNLBCUYKJ-XHSDSOJGSA-N 375.469 2.919 0 40 GFAB COc1cccc(NC(=O)CCNC(=O)c2cc3cc(OC)ccc3n2C)c1 12324417 IBEJYGTXCAKDSD-UHFFFAOYSA-N 381.432 2.954 0 40 GFAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(C)=O)cc1 4231163 ZSKJGDBMJSGAOW-UHFFFAOYSA-N 380.400 2.814 0 40 GFAB CCN(CC)CCOC(=O)OCCCCOC(=O)OCCN(CC)CC 4538613 LXKLDEHHUOCPJC-UHFFFAOYSA-N 376.494 2.757 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Cc2ccccc2)cc1 6590813 PHSHUQBNHNILPO-UHFFFAOYSA-N 394.496 2.897 0 40 GFAB Cn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 6969642 UIGOYVFVPHDNIF-LICLKQGHSA-N 392.390 2.849 0 40 GFAB COc1cc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 7708978 BMJOROGHLWAJGP-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Cl)cc1 1027457 HGXSUKUDESFBHW-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(C)no3)CC2)cc1 58145101 IFPOKQIZPUUOJS-UHFFFAOYSA-N 386.452 2.900 0 40 GFAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 24435627 LOXQNPGNAVUBPY-OKILXGFUSA-N 392.452 2.876 0 40 GFAB Cc1ccc(-c2noc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)n2)cc1 8192984 BHPFMPWCJYSENA-OAQYLSRUSA-N 390.399 2.775 0 40 GFAB Cc1c(-c2ccccc2)sc2ncnc(N(C)CC(=O)N3CCN(C)CC3)c12 24574313 CEDHCBNMDHQHFS-UHFFFAOYSA-N 395.532 2.877 0 40 GFAB COCCNC(=O)c1ccccc1NCC(=O)N[C@@H]1CCCc2ccccc21 26220293 YMMPQBHCXHKCEH-HXUWFJFHSA-N 381.476 2.669 0 40 GFAB CN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 57200927 SOOURSAASJWNLH-AWEZNQCLSA-N 395.345 2.669 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(C)cc1 35485472 QXXLHODIWNSIJU-HSQYWUDLSA-N 393.531 2.857 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)C4CCC4)nn3c2O)C1 100234264 LZZMFADYGDYAGW-SFHVURJKSA-N 383.496 2.665 0 40 GFAB CCn1c(SCC(=O)N2CCOc3ccc(C)cc32)nc2cc(C)[nH]c2c1=O 57521982 KJBFLSRXXKKHQP-UHFFFAOYSA-N 398.488 2.879 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)CCc3nc4ccccc4s3)cc2N1 3233260 NUWAZDVZKYVEKF-UHFFFAOYSA-N 396.424 2.986 0 40 GFAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103045784 IUNKCFMPPVLNDS-BIPCEHGGSA-N 382.460 2.738 0 40 GFAB CCCC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2158521 MRANCLJERLPCHE-CYBMUJFWSA-N 381.812 2.763 0 40 GFAB biogenic Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 58324611 OASCKKMKUMHCCO-QGZVFWFLSA-N 392.452 2.532 0 40 GFAB CCC(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1 24153128 XNPKDLYBFTVTHO-UHFFFAOYSA-N 391.445 2.796 0 40 GFAB COc1ccc(Cn2cc(C(=O)O)c3nn(-c4ccccc4)c(=O)c-3c2)cc1 101729122 NDEMZUUBRLNDSO-UHFFFAOYSA-N 375.384 2.894 0 40 GFAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)[C@H](C)Oc3cccc(C)c3)C(=O)[C@@H]21 102217134 VBYFAYGFGIGFRT-GGLGGFLESA-N 382.460 2.771 0 40 GFAB Cc1nn(C)c2c(N3CCN(C(=O)NC4CCCCC4)CC3)nc(C(C)C)nc12 28557675 JURLYBRUXZMVGM-UHFFFAOYSA-N 399.543 2.959 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1coc2cc(C)ccc12 12997154 LIRWBJQCUNFRSY-UHFFFAOYSA-N 386.473 2.649 0 40 GFAB CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCNCC2)n1 48623062 IVACHXWDVWAIFL-GOSISDBHSA-N 379.508 2.526 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(OC)cc23)[C@H]1c1ccccc1 3984395 HMWMRQAKYQGVPD-MRXNPFEDSA-N 392.411 2.794 0 40 GFAB biogenic CCc1ccc(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1 13510791 XSTJEDXAVVRYFP-WQRHYEAKSA-N 393.468 2.945 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNC2CCCCCC2)c1 6085766 LZJRTZAGZPLYRE-UHFFFAOYSA-N 381.542 2.968 0 40 GFAB O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccc(Br)o1 13723332 XAHHEWWMEZRAPD-UHFFFAOYSA-N 376.210 2.683 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 4393477 YBRYGQYXAMAWIA-JKSUJKDBSA-N 392.864 2.961 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C 14185776 HZWVBQOXHCIROT-HXUWFJFHSA-N 399.834 2.896 0 40 GFAB O=C(CSc1nncs1)N1CCN(Cc2c(F)cccc2Cl)CC1 14226233 VPJBIMYMRRVEKC-UHFFFAOYSA-N 386.905 2.767 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)C1=CCCCC1 14245912 GOQCFBUOSANRSF-OAQYLSRUSA-N 383.448 2.523 0 40 GFAB CCCN1C(=O)C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C1=O 14242282 XPNRGDFWVFCUQS-KRWDZBQOSA-N 383.473 2.854 0 40 GFAB COc1cccc(C[C@H](C(=O)Nc2ccc(C)cc2C)c2nnn[nH]2)c1OC 5681728 OOGQLMZJVGFIAM-HNNXBMFYSA-N 381.436 2.799 0 40 GFAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6787589 INUKTJNYAPGDQF-UHFFFAOYSA-N 388.898 2.700 0 40 GFAB Cc1cc(OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 6988751 JSQZQUMWWSELBH-HNNXBMFYSA-N 385.913 2.986 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 7688588 CAIAGACYUXCATM-UHFFFAOYSA-N 393.461 2.686 0 40 GFAB CCn1nnc2cc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)ccc21 16103383 YABMNPDEUNNVOW-UHFFFAOYSA-N 393.495 2.635 0 40 GFAB CCN(c1ccc(C(=O)NCCSCc2ccco2)cc1)S(C)(=O)=O 26111408 ZLAKJEWAIKODDP-UHFFFAOYSA-N 382.507 2.729 0 40 GFAB CC[C@]1(C)NC(=O)N(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1=O 8027144 AHBGUOWRCXTCLG-NRFANRHFSA-N 389.415 2.662 0 40 GFAB O=C(C1CC1)N1CCN(CC2CC2)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306138061 ROAXHXSSZTVNDX-FQEVSTJZSA-N 393.535 2.940 0 40 GFAB Cc1ccc(C)c(N(CC(=O)N2CCCC(C)(C)C2)S(=O)(=O)N(C)C)c1 20244363 YLYBADAPERIEHI-UHFFFAOYSA-N 381.542 2.565 0 40 GFAB O=C(c1ccsc1)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306137544 QZKXEMBIYSYLRX-QZTJIDSGSA-N 378.457 2.666 0 40 GFAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 18709281 FHMAGZIKPICZDE-CYBMUJFWSA-N 395.385 2.524 0 40 GFAB COc1cc(C(=S)NCCN2CCOCC2)ccc1OCc1ccccc1 408577615 UAXJBGJCEBZTQB-UHFFFAOYSA-N 386.517 2.872 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)COc2c(C)cccc2C)C1 95998693 AAOAJBSEYFNSFV-MRXNPFEDSA-N 399.495 2.953 0 40 GFAB C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 89904303 SUKKKSCEENMPEM-DOTOQJQBSA-N 390.443 2.837 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 67086185 QEPWBSVXFQMWCP-MRXNPFEDSA-N 380.444 2.955 0 40 GFAB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)ccc1F 24992079 SRQKBHPOQGVBPL-UHFFFAOYSA-N 386.788 2.937 0 40 GFAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCn1ccnc1 408703989 HXJUJIBRGLRXDG-UHFFFAOYSA-N 398.488 2.532 0 40 GFAB CN(C)Cc1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccc(F)cc3)C2(C)C)no1 67890209 DAGWLYVHNNRZHG-ACJLOTCBSA-N 395.500 2.811 0 40 GFAB biogenic,in-vitro CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1 409136952 VRHGZOLWRQYHJF-UHFFFAOYSA-N 379.434 2.828 0 40 GFAB O=S(=O)(c1cncc(Cl)c1SCc1ccccc1)N1CCNCC1 72210784 CGEPIGKIQLJRIN-UHFFFAOYSA-N 383.926 2.621 0 40 GFAB CCN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)cc1 39985377 RXRSTSLURQFCKM-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB CN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1 44900210 JHGZSAZHGGOZMF-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB C[C@@H](NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1)c1ccc(F)cc1 225944493 AUPFLJAUYZLPQJ-SJKOYZFVSA-N 382.432 2.823 0 40 GFAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1cccc(C(F)(F)F)c1 224204298 PQKCIRNSLUPBRT-UHFFFAOYSA-N 386.399 2.574 0 40 GFAB O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1cccc(C(F)(F)F)c1 77099992 PRBSSQIHTUIEJW-MRXNPFEDSA-N 387.379 2.654 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C(=O)OC)c3)ccc21 225692744 PENOSAVXIJSMCL-UHFFFAOYSA-N 392.458 2.670 0 40 GFAB CCCCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)cc1 222675928 TYVKEIOFIDJPBY-UHFFFAOYSA-N 385.464 2.553 0 40 GFAB CCNC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96143106 QGKJYRKSCLISNF-HXUWFJFHSA-N 385.489 2.522 0 40 GFAB Cc1cccc(OC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)n1 96119511 AWIVLLOLHOIZRV-QGZVFWFLSA-N 379.460 2.813 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 247847460 FKCUFWNDTOMWDZ-GNVZTASGSA-N 397.519 2.543 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1 253566314 ITVIHWIKPMIVTI-UKRRQHHQSA-N 395.463 2.934 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C2 618257030 PKCVQSXKDWRCFK-ZDUSSCGKSA-N 395.290 2.902 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4cnccn4)CC3)CC2=O)cc1C 90607678 JPTMPLYBOFUJCI-QGZVFWFLSA-N 394.475 2.516 0 40 GFAB C[C@](CO)(c1ccc(Br)cc1)N1CCN(Cc2nccs2)CC1 1614972618 VQNQCNFVSXIYEG-KRWDZBQOSA-N 396.354 2.931 0 40 GFAB CC(C)(C)n1nnc(CC(=O)N2CCc3ccccc3[C@]2(C)C(F)(F)F)n1 622862034 RKSUIUMQROEEHL-QGZVFWFLSA-N 381.402 2.833 0 40 GFAB CCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(F)ccc2OC(F)F)c1C 663959619 NBGXUGGNLOEMQP-UHFFFAOYSA-N 391.415 2.929 0 40 GFAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(-c2cccs2)cc1 390831717 UJBJKIRCTXMELC-MRXNPFEDSA-N 390.472 2.862 0 40 GFAB COc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1F 1615156309 IXBQEBASPDLBOC-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 5439273 CAYZGGSMHKZLEI-UHFFFAOYSA-N 387.461 2.827 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(OC)c(OC)c(OC)c1 5577436 ZVOXGYRKJJTWKR-UHFFFAOYSA-N 389.404 2.941 0 40 GFAB O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)C1CC1 11855879 YSVPFIPFUCRWMI-UHFFFAOYSA-N 381.461 2.911 0 40 GFAB Cn1c(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)nc2ccccc21 12116420 ZOGQBZVLGOEVGH-MRXNPFEDSA-N 392.459 2.835 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407874 CJMFVUVGLIKBFO-JKSUJKDBSA-N 393.413 2.889 0 40 GFAB Cc1sc2nc(CS[C@@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 12817955 ZVGOGACQKDCXAV-BREBYQMCSA-N 395.550 2.859 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc(C(=O)OC)c1 14397085 RUHDTYBQTZJMBE-NSHDSACASA-N 375.352 2.805 0 40 GFAB COc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1 16109519 OVPWTXMLTRSMGT-SEIPJRMCSA-N 389.473 2.998 0 40 GFAB CN1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)[nH]n3)ncc2C1 19083639 NFOUQJZMVXMVOW-KRWDZBQOSA-N 382.512 2.853 0 40 GFAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(CC2CC2)CCO1 19580863 SQISVCFNYPDJMM-HSZRJFAPSA-N 379.504 2.860 0 40 GFAB Cc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)nc(N2CCCCC2)n1 19660386 GWXVLMNRCQZQMZ-IBGZPJMESA-N 395.507 2.992 0 40 GFAB Cn1cc(C(=O)N2CCC[C@H]2c2cc(CCOc3ccccc3F)[nH]n2)cn1 19703597 QLPDSEGQGQKCSR-SFHVURJKSA-N 383.427 2.881 0 40 GFAB Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cncc(N2CCOCC2)c1 527125970 QRWCKNMPBVTEOQ-UHFFFAOYSA-N 394.475 2.619 0 40 GFAB Cc1nc(C)n([C@H](C)CC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n1 12121815 URQNFDHIRNMXIB-OAHLLOKOSA-N 384.480 2.816 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)C1 19592613 OOCFCZPUMHNSHJ-CQJMVSDSSA-N 397.470 2.712 0 40 GFAB O=C(c1cncnc1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889030498 SQZWMNHVQLTOCX-UHFFFAOYSA-N 397.442 2.897 0 40 GFAB O=C(CCc1cccc2ccccc12)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238876996 OHMOOBBCSQDWKH-NHCUHLMSSA-N 388.467 2.934 0 40 GFAB O=S1(=O)CC[C@H](CCN2CCC3(CC2)CCN(Cc2ccccc2)C3)C1 677819602 DTOYPBCFUTXILF-FQEVSTJZSA-N 376.566 2.799 0 40 GFAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1C 4250584 RAMOUYKFQJKDET-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB CCOc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc32)cc1 4958846 OBOADEIPPMHYCY-UHFFFAOYSA-N 376.459 2.906 0 40 GFAB O=C(CCc1ccccc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665770 GFWXXFXNVQCPLJ-UHFFFAOYSA-N 393.834 2.939 0 40 GFAB O=C([C@@H]1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCC(F)(F)CC1 2086884617 VBMBGQBMCNFXNA-VIFPVBQESA-N 385.358 2.625 0 40 GFAB O=C(COc1ccccc1F)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 207998950 BURRTQNVIRMDIS-OAHLLOKOSA-N 383.379 2.880 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 36656636 RDXLBLBHURZXSU-UHFFFAOYSA-N 398.492 2.885 0 40 GFAB Cc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccccc1F)N(C)S(=O)(=O)N2C 575612008 JVRXOXHSYANPBB-GFCCVEGCSA-N 393.440 2.671 0 40 GFAB COC(=O)c1ccc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1 585407079 DZTFRQZWTMTUER-FQEVSTJZSA-N 375.428 2.995 0 40 GFAB COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F 1494105 KYXDNECMRLFQMZ-UHFFFAOYSA-N 381.816 2.988 0 40 GFAB investigational Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C 96362699 GLPBNJMXJCURNT-QGZVFWFLSA-N 380.897 2.653 0 40 GFAB COC(=O)c1ccc(-c2nc(CN(C)CC(=O)NC(C)(C)C)cs2)cc1 50959010 LTPISQCWDORYMM-UHFFFAOYSA-N 375.494 2.943 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32101796 PQHKRZFGIXOGKL-GFCCVEGCSA-N 386.843 2.641 0 40 GFAB CC(=O)c1cc(Cl)ccc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl 32623375 CKUIIPJUGGHOCV-UHFFFAOYSA-N 389.216 2.609 0 40 GFAB CCOC(=O)Cc1csc(SCc2cc(=O)n3nc(CC)sc3n2)n1 22042510 JRQQXBPXXQNZNA-UHFFFAOYSA-N 396.519 2.568 0 40 GFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NC2(c3noc(C)n3)CCCCC2)c1 46800201 SAJQMZKAQKXLHW-UHFFFAOYSA-N 392.481 2.783 0 40 GFAB Cc1c(C(=O)NCCO)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274511 VXXQNTMNOLIBBL-UHFFFAOYSA-N 397.822 2.759 0 40 GFAB COC(=O)CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12389390 SKKDFZRVHKBSLT-UHFFFAOYSA-N 389.868 2.885 0 40 GFAB CCCc1noc(COC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n1 69930462 VUWARYDLKOKAQE-UHFFFAOYSA-N 379.722 2.599 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccccc1 3479937 KJSARGRMGFIGLO-MRXNPFEDSA-N 388.489 2.507 0 40 GFAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)N[C@H](C)CCc2ccco2)cc1 4355414 DRVPLLZXUGYCFZ-YVORESIASA-N 390.505 2.667 0 40 GFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccsc2)CC1 22912434 HZAIIPXAZCEEJU-UHFFFAOYSA-N 398.532 2.630 0 40 GFAB O=C(CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1 4908152 JBUDETLIPALPHD-ALOPSCKCSA-N 384.505 2.897 0 40 GFAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C)cc3)=C2)cc1 6800302 QPNXYLMMIVDJCA-UHFFFAOYSA-N 385.445 2.506 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(=O)OC)cc2)CC1=O 7842796 WGCBJXVZFUKBRQ-OAHLLOKOSA-N 383.400 2.830 0 40 GFAB O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)N1CCCCC1 102091494 ZMTXTZVBIWXYBD-PJBUMPDVSA-N 376.456 2.870 0 40 GFAB COc1ccc(OC)c(/C=c2\sc3nnc(-c4cccc(C)c4)n3c2=O)c1 9189351 LAEXEZIMKUFPOM-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 3296137 XSMSSCCWFBAYBW-UHFFFAOYSA-N 376.796 2.894 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)C(C)(C)C)nn3c2O)C1 100234260 CLGKIUYCVVNGQD-KRWDZBQOSA-N 385.512 2.911 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)o1 58356389 SRHRMBMPYXSXSK-QGZVFWFLSA-N 380.441 2.988 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)cc(-c4cccnc4)n3)C2)CC1 100744313 GXIPKSOFAANGCW-BHYGNILZSA-N 382.464 2.765 0 40 GFAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccc(F)cc1 3363728 CVYQRZPEOXIFOT-UHFFFAOYSA-N 391.453 2.512 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)c1 28199468 QXVZNNWUWGXREP-DOXZYTNZSA-N 376.497 2.963 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-n2nnnc2C)ccc1F 57784375 OCGBMXSYMQEBOQ-UHFFFAOYSA-N 381.820 2.872 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)Nc3cccc(C)c3C)CC2=O)cc1 12875919 KOMVWKODOBKWIO-IBGZPJMESA-N 393.487 2.715 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(CSc2ncnc3c2cnn3C)n1 11495032 WMICPYDWZJPWLC-UHFFFAOYSA-N 393.480 2.729 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 12817986 RUSQBBWBXQLWFE-QGZVFWFLSA-N 393.443 2.753 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cnc2c(cnn2Cc2ccccc2)c1 12856141 BKQVGSGTPRCNFC-UHFFFAOYSA-N 396.414 2.708 0 40 GFAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1nc(C)cs1 29886058 AVPBGVMSFQZFMF-HNNXBMFYSA-N 378.473 2.875 0 40 GFAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NC2CC2)cc1 3556305 AOKNUHWWKKUPNT-UHFFFAOYSA-N 396.443 2.702 0 40 GFAB CCC[C@@H](C)NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3597735 ONBUWCHQKABUQZ-OAHLLOKOSA-N 393.443 2.847 0 40 GFAB CC[C@H]1CCc2sc(C(=O)NC3CCN(S(=O)(=O)CC)CC3)cc2C1 12927594 UJTANGJDKIVJFM-ZDUSSCGKSA-N 384.567 2.807 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](CC(=O)O)c2ccccc2)C1=O 13428010 DCHUISHEHHPLIQ-GDBMZVCRSA-N 382.416 2.523 0 40 GFAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCc3ccco3)n2)c1 49547056 GLNKSYBOVKTVIJ-UHFFFAOYSA-N 375.768 2.623 0 40 GFAB COc1ccc(-c2noc(CN(CCc3ccccc3)S(C)(=O)=O)n2)cc1 13629491 VUNHLKDBPNDEAM-UHFFFAOYSA-N 387.461 2.750 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1C 6234133 RMURFNAQHKRRKR-UHFFFAOYSA-N 394.443 2.728 0 40 GFAB O=C(NCc1cccnc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 9060910 PJFXYMUILYRVOY-UHFFFAOYSA-N 376.460 2.914 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1C 5401621 RRVVIBFGJZMAHB-UHFFFAOYSA-N 377.400 2.895 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)Cc3c(F)cccc3Cl)cc2N1 6509380 MIBGNGJQANDZHR-UHFFFAOYSA-N 377.755 2.779 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 9252337 NMSHHNLAHJVOIE-HNNXBMFYSA-N 377.444 2.879 0 40 GFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 66797197 JBNLYOPTRGJGOO-UHFFFAOYSA-N 387.461 2.865 0 40 GFAB CCC(CC)[C@H](O)CN[C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013624 YNNAZNGYQSVJDW-DBVUQKKJSA-N 378.513 2.799 0 40 GFAB COc1ccc(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1 15085040 DXWRQGMOHQBOKS-UHFFFAOYSA-N 393.399 2.904 0 40 GFAB COC(=O)/C(=C\Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 67340497 DRTIOFALBVWJRY-LICLKQGHSA-N 375.402 2.624 0 40 GFAB CC(C)Cn1c(CNC(=O)c2ccc(-n3cnnn3)cc2)nc2ccccc21 96231004 FBZNMQCAFVEOEK-UHFFFAOYSA-N 375.436 2.598 0 40 GFAB CCOc1ccccc1CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 7219990 UVJCJBXDHVHBIV-UHFFFAOYSA-N 394.518 2.794 0 40 GFAB Nc1c(C(=O)NCc2cccs2)nnn1-c1ccc(Br)cc1 9420764 YKOJVRSELFADNJ-UHFFFAOYSA-N 378.255 2.604 0 40 GFAB O=C(NCCCN1CCOCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 19823711 FMKFTEVLFFFDDV-UHFFFAOYSA-N 397.922 2.530 0 40 GFAB CCCCc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(O)n2)cc1 16806862 MQRNKJRHQKOBCJ-UHFFFAOYSA-N 390.465 2.668 0 40 GFAB CCOC(=O)C1=C(COC(=O)CCCc2c[nH]c3ccccc23)NC(=O)N[C@H]1C 8324258 CTXQGPQREQPOAM-ZDUSSCGKSA-N 399.447 2.552 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4cnn(C)c4)n3)CC2=O)cc1 72310316 NNKZGURIPIJFOY-OAHLLOKOSA-N 375.432 2.782 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCC(O)CC3)CC2=O)cc1 97701079 HVSXKHFNROIVJK-QGZVFWFLSA-N 393.487 2.948 0 40 GFAB COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@@H]2C(C)C)cc1 85875339 RNEROPFFCATWMB-NRFANRHFSA-N 381.476 2.904 0 40 GFAB biogenic O=C(c1cc(C2CC2)on1)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 306126822 FGBOWWCWZXPYSO-UNMCSNQZSA-N 396.491 2.891 0 40 GFAB CCN1CCC[C@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408708284 XGKBSPAIRGXWMN-FQEVSTJZSA-N 379.504 2.535 0 40 GFAB CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(Cn2cnnn2)n1 508674346 ZBFSFMMBDDFCDF-ZDUSSCGKSA-N 379.218 2.643 0 40 GFAB CCc1ccc2occ(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)c2c1 512311891 DPFLPAKKIXEVCC-UHFFFAOYSA-N 383.492 2.669 0 40 GFAB Cc1cc(C)n(CCc2nnc(NC(=O)c3ccnc(N4CCCC4)c3)s2)n1 36752402 RVTYNLIFXSKBJG-UHFFFAOYSA-N 397.508 2.842 0 40 GFAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 36734693 PFQJHOUPPAJVIR-IXDOHACOSA-N 394.523 2.839 0 40 GFAB COCCNc1cc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)ccn1 35424563 LADSOXMJHRGDNI-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro COC(=O)c1ccc2c(=O)[nH]c(CN3CCC[C@H]3Cc3ccccc3)nc2c1 25440388 FOKKSRMZOVAXIS-KRWDZBQOSA-N 377.444 2.917 0 40 GFAB Cc1ccccc1[C@H](CC(=O)N(C)Cc1ccc2c(c1)OCCO2)NC(N)=O 40069605 MFNHQOAOPVTECN-KRWDZBQOSA-N 383.448 2.524 0 40 GFAB CC1CCN(CCNC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 40108873 ODKGBYGMUNCGRH-UHFFFAOYSA-N 385.552 2.706 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 223862549 FIWYMMYUYCXWGH-CQSZACIVSA-N 376.478 2.890 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1 223638986 BLONFJKLVCINTK-OAHLLOKOSA-N 376.478 2.508 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225677839 BSYCQRRMVSMJQP-LLVKDONJSA-N 378.475 2.648 0 40 GFAB CCOc1ccc(CNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222460477 SUKVLRUAYOGVPA-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB CSc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)s1 223724466 FMJSRTGHZMSYOG-UHFFFAOYSA-N 378.888 2.537 0 40 GFAB Cc1cc(=O)c(C(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)cn1C 583388111 IGEADDFMZNKCJB-INIZCTEOSA-N 376.460 2.593 0 40 GFAB COc1ccsc1S(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 585081085 JDVVYBACQLLZEL-UHFFFAOYSA-N 388.461 2.936 0 40 GFAB O=C(NCCc1ccncc1)c1c2c(N3CCCC3)ncnc2n2ccccc12 96146709 HBGZDCHOIGQMKF-UHFFFAOYSA-N 386.459 2.850 0 40 GFAB COc1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 244394703 YGULDRBJQKNQEP-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB COc1cc(CCNc2ncc(C(N)=O)c(Nc3cccc(C)c3)n2)ccc1O 28640813 MIJBQCMTXLNOTK-UHFFFAOYSA-N 393.447 2.996 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1 253605396 FRYYXTHIEXXRHV-ICSRJNTNSA-N 385.489 2.683 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3ncncc3-c3ccnc(N)c3)C2)cc1 257232332 GKKYVWNWJPJSOO-QGZVFWFLSA-N 389.459 2.688 0 40 GFAB CNC(=O)c1cnn2c([C@H]3CCCN(Cc4c[nH]c5ccccc45)C3)ccnc12 257199605 AABYJNPRDNFCBT-HNNXBMFYSA-N 388.475 2.950 0 40 GFAB COc1ncc(CN2CCO[C@H](c3cccc(-c4c(C)noc4C)n3)C2)cn1 257247536 IZKKSSAXLFDROC-SFHVURJKSA-N 381.436 2.726 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 251170018 OQNMQDLVZAHZJL-XKGZKEIXSA-N 390.549 2.842 0 40 GFAB COc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)cc(Cl)c1OC 623091854 WUEOTVMDSBQBGQ-IUODEOHRSA-N 380.832 2.742 0 40 GFAB CNc1cnc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cn1 625608808 BRFZMCXATQUJKQ-UHFFFAOYSA-N 391.834 2.802 0 40 GFAB Cc1nc(CC(=O)N(C)[C@@H]2CCCN(C(=O)CC[C@H]3CCOC3)C2)c(C)s1 1615611752 QIVOOBGROFXEQT-DLBZAZTESA-N 393.553 2.569 0 40 GFAB NC(=O)c1cccc2c1CCN(Cc1nc(O)c3c4c(sc3n1)CCC4)C2 662299456 QCXCEWRGOHJNCX-UHFFFAOYSA-N 380.473 2.543 0 40 GFAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2c(C)nn(C)c2-n2cc(C)cn2)cc1 684774729 TUZUAZSICSPICV-ZWKOTPCHSA-N 379.464 2.907 0 40 GFAB Cc1noc(Cc2ccccc2NC(=O)CCS(=O)(=O)c2ccccc2)n1 96097066 CMTBIUDNUBPGSN-UHFFFAOYSA-N 385.445 2.771 0 40 GFAB CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 96374724 GEYCHKQDOMFXRG-UHFFFAOYSA-N 397.921 2.703 0 40 GFAB CC(C)c1ccc(-c2csc(N3C(=S)N[C@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 575426182 OBNZQCGGUSBYNS-GJZGRUSLSA-N 393.559 2.794 0 40 GFAB COc1ccc(C(=O)N2CCC(NC(=O)N[C@@]34CCC[C@@H]3C4)CC2)cc1OC 664165999 NFOUCSGVXWCNOA-QVKFZJNVSA-N 387.480 2.550 0 40 GFAB Cc1nnc2ccc(N3CCCN(c4cccc(C(F)(F)F)n4)CC3)nn12 1775986026 PVFFERXTUNZDCZ-UHFFFAOYSA-N 377.374 2.563 0 40 GFAB CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nnc(C)n2N)cs1 54912869 QRVHBBFVAFCFHR-UHFFFAOYSA-N 378.458 2.873 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2ncccc2Cl)c1 11033327 ZIUJOUDLPSGRAM-UHFFFAOYSA-N 385.898 2.716 0 40 GFAB Cc1ccc([S@@](=O)NOCCCCON[S@](=O)c2ccc(C)cc2)cc1 5329851 IKQIHMWGKSEWFX-UIOOFZCWSA-N 396.534 2.871 0 40 GFAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)Cc3ccccn3)nn2c1O 12222233 GHNTVEAXIGYQBL-SFHVURJKSA-N 379.464 2.997 0 40 GFAB Cc1ccc2c(c1)CN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H](CN(C)C)CO2 12406615 SBVDPQSLPFQSEK-SFHVURJKSA-N 382.460 2.618 0 40 GFAB COCCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 13635200 XDDHXKLSCPCFEN-QHCPKHFHSA-N 389.455 2.809 0 40 GFAB CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 13669938 KTFXJWVYMDIROI-OAQYLSRUSA-N 383.517 2.752 0 40 GFAB O=C(Nc1ccc(F)cc1F)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701034 HUMUSBWCJOGWFD-UHFFFAOYSA-N 399.405 2.634 0 40 GFAB CCN(CC)CCn1c(NC(=O)Cn2nnc3ccccc32)nc2ccccc21 14509647 YAWURFZHFIQLKX-UHFFFAOYSA-N 391.479 2.762 0 40 GFAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cn2nc(C)ccc2=O)cc1 19131120 ROEPNTZFIYXENM-GPHNJDIKSA-N 381.476 2.649 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19293698 YKMUROZJJIPALR-UHFFFAOYSA-N 398.463 2.981 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)o1 19555283 MOROSXNIOJSSQY-UHFFFAOYSA-N 399.495 2.555 0 40 GFAB COc1ccccc1[C@]1(O)CCCN(C(=O)COc2ccc3nsnc3c2)C1 19569237 GWGNGGORPGBBGE-FQEVSTJZSA-N 399.472 2.589 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655366 KKBZRDREUPCSBU-HNNXBMFYSA-N 380.448 2.980 0 40 GFAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCCCC1 17320394 GEXPRZMRLQGYNS-UHFFFAOYSA-N 379.254 2.838 0 40 GFAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCCOc2ccccc2)C1=O 21585872 DUEHFBSZGMWHNU-OAQYLSRUSA-N 382.416 2.737 0 40 GFAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2ccnc(NC(C)=O)c2)C1 2037909278 LGKYEUYVZQUARD-OAQYLSRUSA-N 383.448 2.740 0 40 GFAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc2c(c1)OCO2 7456892 KCADPMOHIHGVIC-UHFFFAOYSA-N 379.372 2.531 0 40 GFAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]21 2055717917 FUWFGTLFDYIUIY-IIDMSEBBSA-N 388.418 2.621 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccc2c(c1)CCO2 1775969022 SZOMYCPBMBNBSS-CQSZACIVSA-N 391.470 2.955 0 40 GFAB CO[C@H]1CCN(c2ccc(C(=O)NCc3ccc(-c4ccnn4C)nc3)cc2)C1 575620970 WVVJGJQPFOSVBW-IBGZPJMESA-N 391.475 2.637 0 40 GFAB CN(C)CCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579417 YXRVBADBSCXKSO-ZHZULCJRSA-N 376.460 2.617 0 40 GFAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 23012620 RKIULNVTUKIQBQ-UHFFFAOYSA-N 378.432 2.691 0 40 GFAB Cc1csc(=O)n1CCC(=O)NCc1ccnc(OCc2ccccc2)c1 40106788 WDGLPCOGXJZFNU-UHFFFAOYSA-N 383.473 2.899 0 40 GFAB O=C(NCc1cccnc1)C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 30654237 ARDGLJFYCYPTJP-UHFFFAOYSA-N 389.459 2.640 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100563687 IPNTUDDADOYJGS-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2ccc(F)cc2)o1 32753586 JXOXBBUIHSNODU-UHFFFAOYSA-N 378.359 2.998 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(Cc2cccs2)CC1 22019083 LEDZOWPEQZNSOO-KRWDZBQOSA-N 387.530 2.895 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 6818298 FJPDZANKNWASBU-UHFFFAOYSA-N 380.495 2.882 0 40 GFAB Cc1ccc(CC(=O)OCC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C 7026572 CMJJYTCICAMFTF-UHFFFAOYSA-N 375.446 2.644 0 40 GFAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCN(Cc2cccnc2)CC1 54724754 KVOAGBYKDSDLDL-UHFFFAOYSA-N 387.487 2.714 0 40 GFAB COc1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 24301008 AQVLWUNEYXDHGP-UHFFFAOYSA-N 380.488 2.907 0 40 GFAB Cc1cccc2nc(C(=O)O[C@H](C)C(=O)N[C@H]3CCOc4ccccc43)cn12 24315784 LCHOIPZHUUVAKL-ZBFHGGJFSA-N 379.416 2.828 0 40 GFAB CSc1nnc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)s1 24770271 AZSFUGMJKHUCQE-UHFFFAOYSA-N 391.565 2.681 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@@H]2[C@H]3O[C@@H]3[C@@H]1C2(c1ccccc1)c1ccccc1 104100708 OOORWVVNBZMNAB-UAFMIMERSA-N 376.408 2.642 0 40 GFAB CCc1cccc(OC[C@H](O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 24988606 LHTMEZLAMJKYEJ-MRXNPFEDSA-N 388.489 2.583 0 40 GFAB O=C(NCCc1cn2ccccc2n1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 25528328 OVFAWQJNOPVJGW-QGZVFWFLSA-N 391.475 2.937 0 40 GFAB CCNC(=O)COc1ccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1 24625285 TVDYUWVZBPCODX-UHFFFAOYSA-N 396.447 2.738 0 40 GFAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC[C@@H]2CCCO2)ccc1O 105941777 MSEHOLJDLBYRGX-PMACEKPBSA-N 396.487 2.623 0 40 GFAB Cn1ccnc1[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1 12630118 NFKQBQHKRRDYPV-QGZVFWFLSA-N 377.416 2.907 0 40 GFAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccnc(Oc2ccccc2)c1 57994187 KZPFAWMYHLPQPX-UHFFFAOYSA-N 390.399 2.952 0 40 GFAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)COc1ccccc1 20153581 KCJMTUXVCCJMGX-UHFFFAOYSA-N 394.836 2.939 0 40 GFAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)cc2oc1=O 2095594 RTLPAGCOGXXQDI-CJNGLKHVSA-N 375.421 2.793 0 40 GFAB biogenic C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Br)c1 58715949 KUPQSICUTXOWAZ-ZDUSSCGKSA-N 390.285 2.832 0 40 GFAB C[C@@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 2323912 VYYDPPUSQDDSGP-MNOVXSKESA-N 387.509 2.601 0 40 GFAB COC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc12 2375876 PYQBKRAQGILLOL-UHFFFAOYSA-N 378.388 2.960 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN(C)C)ccc2C)cc1 10329934 WERVWMMJZSAKJB-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 48326404 SRPOIGPFHHEOSH-UHFFFAOYSA-N 382.464 2.897 0 40 GFAB COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1Br 20808250 KJMPEOPAUNBGRG-UHFFFAOYSA-N 397.250 2.605 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cc(OC)ccc1OC 20447917 ZVJOIIBHNWAASK-UHFFFAOYSA-N 389.404 2.689 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1 3461020 OKORZLQUFZPBBB-AUSIDOKSSA-N 391.471 2.956 0 40 GFAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1S(N)(=O)=O 12981215 GJILMNKPRRWYMJ-UHFFFAOYSA-N 392.525 2.683 0 40 GFAB Cc1cc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)no1 12981131 LYYARBGOXKVYKH-UHFFFAOYSA-N 383.374 2.548 0 40 GFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 13027885 WZGKSPDEEFUQSR-UHFFFAOYSA-N 388.489 2.636 0 40 GFAB CCOC(=O)Cc1csc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 5014534 SPGBJROYKFBWRO-UHFFFAOYSA-N 394.474 2.751 0 40 GFAB CNC(=O)CCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 65498057 URVUDFASTISZOJ-UHFFFAOYSA-N 381.263 2.922 0 40 GFAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C 65474529 KPVOCJZGWSVJRZ-UHFFFAOYSA-N 384.841 2.919 0 40 GFAB COc1ccc(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)c(OC)c1 5348243 XWOXGIHKWKFTOZ-IBGZPJMESA-N 384.388 2.607 0 40 GFAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)oc12 65612321 OPVIUBSWJDKMGC-HZSPNIEDSA-N 382.482 2.836 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(SC)c2)c1=O 6678965 MRDQFRJUKGXQJG-UHFFFAOYSA-N 375.475 2.605 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC2=NCCS2)cc1 14818168 JQMCQBYLNVWRCI-KBPBESRZSA-N 375.494 2.688 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C(=O)OCC)C2)c1C 15350465 WRCIABDVMDFQBI-LSDHHAIUSA-N 378.469 2.655 0 40 GFAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 7054901 NJACYVJFMOGZTG-UHFFFAOYSA-N 395.289 2.702 0 40 GFAB C[C@@H]1[C@@H](NC(=O)C2CC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]12 20466691 HZSDEDOYFCTAET-HKOCDWSSSA-N 390.568 2.963 0 40 GFAB biogenic,in-vitro O=C(Nc1ccc(Cl)cn1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 9418438 JTCXWPYZTJENHW-UHFFFAOYSA-N 379.247 2.676 0 40 GFAB C[C@H]1CN(c2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cn2)C[C@@H](C)O1 96308225 CZZXUTUIRACZHC-PHIMTYICSA-N 393.373 2.895 0 40 GFAB O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859601 WQKLTMNFGGKDKV-CQSZACIVSA-N 384.929 2.941 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 8076272 CXOUALXMUMZYTH-INIZCTEOSA-N 398.426 2.807 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(c2cccc(Cl)c2)CC1 8075536 JCORHJJRCMESIE-UHFFFAOYSA-N 398.850 2.506 0 40 GFAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)s1 8449095 SDGXXDGKANAZRB-UHFFFAOYSA-N 393.486 2.808 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)NCCNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 8550314 YBPKSDNJHMMWQW-QZTJIDSGSA-N 384.476 2.771 0 40 GFAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc2c(c1)OCO2 18149256 ZZKKYFOWHMQLNS-UHFFFAOYSA-N 379.401 2.966 0 40 GFAB Cc1ccc(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1Cl 9669232 QWTNJTIGOGJNQO-UHFFFAOYSA-N 385.807 2.609 0 40 GFAB COC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)Sc1nc2ccccc2n1C 95447053 QALPBQDYBYWHQJ-MRXNPFEDSA-N 395.440 2.503 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccnc4)C[C@H]32)cc1 306134101 NDOACNRXYQNQMM-FCHUYYIVSA-N 388.471 2.973 0 40 GFAB O=C(N1CCC(Cc2ccccc2)CC1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 528552195 PXNYENYELPXZCZ-MOPGFXCFSA-N 376.522 2.713 0 40 GFAB O=C(O)[C@@H](CO)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 35648739 FAVXXQQKKIFHPZ-BZFUBLJMSA-N 378.258 2.640 0 40 GFAB COc1ccc([C@H](CC(=O)NCc2cccnc2)c2oc(C)cc(=O)c2O)cc1 1547139424 PUTXDVAVTSXCOF-SFHVURJKSA-N 394.427 2.896 0 40 GFAB biogenic Cc1ccc(F)c(NC(=O)c2nc(N3CCOCC3)ncc2Br)c1 72243427 DZCMKBWPJQFNJX-UHFFFAOYSA-N 395.232 2.776 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1Cl 225127812 MYSDVCKMKMLJIL-UHFFFAOYSA-N 398.887 2.600 0 40 GFAB O=S(=O)(c1ccccc1N1CCC(Nc2cccnn2)CC1)C(F)(F)F 84505982 VZNSBBQBURAKNF-UHFFFAOYSA-N 386.399 2.851 0 40 GFAB Cc1cc(C)nc(Nc2nc(C(=O)N3CCN(c4ccccn4)CC3)cs2)n1 49032300 PSJGVTHGVVDUSJ-UHFFFAOYSA-N 395.492 2.651 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(C(=O)O)c3)CC2)cc1C 570338369 RQGNIJYIRBHOBQ-UHFFFAOYSA-N 394.518 2.570 0 40 GFAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 222915330 RSPGOESVMCYWCP-MRXNPFEDSA-N 382.460 2.554 0 40 GFAB CCN(CC)CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199428627 APDMNHGKQZHOSR-JOCHJYFZSA-N 381.520 2.777 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)c(C(=O)N(C)C)s1 41593805 FQMCXOCXUSJKKP-UHFFFAOYSA-N 389.886 2.616 0 40 GFAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 224190305 XDPOIIGZIDFZSX-UHFFFAOYSA-N 375.281 2.636 0 40 GFAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccccc1Sc1ccccc1 225963350 ARARJVRRSXTZRF-UHFFFAOYSA-N 379.507 2.515 0 40 GFAB CCCN(CC)C(=O)c1ccc2nnc([C@H]3CCN(C(=O)NC(C)C)C3)n2c1 96156236 RYEKHMHDXKTBIL-HNNXBMFYSA-N 386.500 2.509 0 40 GFAB CNC(=O)OC[C@H]1CCCCN1C(=O)c1cnc2c(c1)c(C(C)(C)C)nn2C 585083966 CLMMLJVFOQDFDO-CQSZACIVSA-N 387.484 2.617 0 40 GFAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(C(=O)NC1CCCC1)CC2 96260498 SQHDBNKWKMOFBH-UHFFFAOYSA-N 387.528 2.562 0 40 GFAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)CO)C[C@H]23)cc1 257306754 SVROLNCAFBXUCM-YPAWHYETSA-N 380.488 2.504 0 40 GFAB C[C@@]1(O)CCN(Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 604383333 WSLRIAZONWXYQC-JAXLGGSGSA-N 383.467 2.814 0 40 GFAB biogenic,in-vitro COc1cccc2cc(C(=O)NC[C@H](O)c3ccc4c(ccn4C)c3)c(=O)oc12 252491294 LKYFDYALJUWJKA-SFHVURJKSA-N 392.411 2.757 0 40 GFAB Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)n1C 257257945 KRSSASAYYBOETB-SFHVURJKSA-N 390.491 2.604 0 40 GFAB O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 630327384 FJUGRGVYTCQSBX-RYQLBKOJSA-N 385.464 2.741 0 40 GFAB CCCCN1CCOC[C@H]1C(=O)NC1CCN(c2cc(C)ccc2F)CC1 1615001380 GVRFWTWOOLUEON-FQEVSTJZSA-N 377.504 2.720 0 40 GFAB C/C(=C\c1ccccc1)CN1CCOC[C@@H]1CC(=O)NCCc1ccncc1 72463510 VOYQQJFZZKCAKD-SIWPHUPXSA-N 379.504 2.935 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 96025774 RPSAHOXIWKSYDM-OAQYLSRUSA-N 399.516 2.890 0 40 GFAB O=C(CCSc1ccccc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96121860 JFOUUXOBZYGUTQ-UHFFFAOYSA-N 379.478 2.993 0 40 GFAB Cc1nnc2c(N3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)nccn12 390830010 ICUVJRBRGFDCLX-GFCCVEGCSA-N 391.262 2.748 0 40 GFAB Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCC(=O)N(C)C)s1 585104774 MFDVSFMXPGAFID-QGZVFWFLSA-N 380.554 2.923 0 40 GFAB O=C(O)C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 97696034 BKOYMQGIPOZEQC-SNVBAGLBSA-N 376.272 2.535 0 40 GFAB O=C(NN1CC(=O)N(Cc2ccco2)C1=O)C(c1ccccc1)c1ccccc1 5018992 IEMHUTFCRMMUFN-UHFFFAOYSA-N 389.411 2.907 0 40 GFAB CCc1ccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5163499 NGALZHVYTLPWRS-WBVHZDCISA-N 391.489 2.825 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)n(C)n1 11027435 NHWLZHPCRQXEPX-UHFFFAOYSA-N 398.488 2.802 0 40 GFAB CCOC(=O)N1CCC(N2CCC(CO)(Cc3ccc(OC)cc3)CC2)CC1 12432012 UCQBBEJAZQIORI-UHFFFAOYSA-N 390.524 2.933 0 40 GFAB COC(=O)c1cccc(OS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 12969087 OIRVSTLEIDUQPX-LBPRGKRZSA-N 389.429 2.538 0 40 GFAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580843 JIHOFODHLWPXBZ-CQSZACIVSA-N 386.489 2.541 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13678593 FOXKSRJNLGXAHW-SFHVURJKSA-N 390.461 2.641 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 15471729 UJMFHMYLTPSKSR-CYBMUJFWSA-N 396.896 2.847 0 40 GFAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)c3ccccc3)CC2)C[C@H](C)O1 19497318 RNFROKGSDUWJRJ-HOTGVXAUSA-N 396.491 2.679 0 40 GFAB COCCn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2ccccc21 19594200 MVIJNOPOELDNMF-UHFFFAOYSA-N 378.476 2.641 0 40 GFAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2cccnc2)C1 19703520 ZTCIBPIWKLTKPT-QFIPXVFZSA-N 390.443 2.558 0 40 GFAB COc1ccc(OC)c(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)c1 12328114 NSIBCYTWMTZZEI-UHFFFAOYSA-N 380.448 2.888 0 40 GFAB CC[C@H](c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C 2726050 HHKODPGQVZDKJM-GFCCVEGCSA-N 388.453 2.863 0 40 GFAB Cc1cc(N2CCN(c3nccc4sccc34)CC2)nc(N2CCOCC2)n1 1889191986 NYTSULOFHVIYOS-UHFFFAOYSA-N 396.520 2.558 0 40 GFAB Cc1ncsc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840454 NACLNBNPAFOPLF-UHFFFAOYSA-N 375.469 2.989 0 40 GFAB COc1cc(CN2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cc(OC)c1 2037983770 FHDWVVCKVPREOO-GCJKJVERSA-N 396.487 2.958 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565543029 HIEAVKZBNIKGOB-NZQKXSOJSA-N 378.472 2.932 0 40 GFAB COc1cccc(-c2noc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)n2)c1 1428893 ZCWUDEIJDBHZOJ-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB CC(=O)N(C)[C@@H](c1ccc2c(c1)OCO2)c1nnnn1-c1c(C)cccc1C 4558168 KZKJRAUDLGSSQM-IBGZPJMESA-N 379.420 2.576 0 40 GFAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccnc(N2CCCC2=O)c1 575619747 PDNLAVQPTORTOP-UHFFFAOYSA-N 393.422 2.527 0 40 GFAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCN(C)CC1 22580437 SEMXQZHYWSTPOY-UHFFFAOYSA-N 393.534 2.839 0 40 GFAB COc1ccc(CCNc2ccc(S(=O)(=O)NC3CCCC3)cn2)cc1 40024789 YUKKNEAZFXOGPJ-UHFFFAOYSA-N 375.494 2.966 0 40 GFAB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1cc(Cl)ccc1Cl 100646796 MCUPLIBUCFXMBW-XHOOZROUSA-N 384.215 2.673 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c1OC 101277346 PCDURQKMNADLGK-PBHICJAKSA-N 386.791 2.650 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 101387098 WVJALADLVGMNOZ-DLBZAZTESA-N 397.822 2.580 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 101436304 PWNRLDPQVXUNFA-OCQZMCQHSA-N 379.416 2.525 0 40 GFAB COc1ccccc1CNC(=O)CCn1nc(-c2ccc(F)cc2)ccc1=O 41254572 AZJWTGJNIQZZMT-UHFFFAOYSA-N 381.407 2.765 0 40 GFAB Cc1cc(C)n2c(CCCNS(=O)(=O)c3ccc4ccccc4c3)nnc2n1 12322584 BECFVYMMXIDUOU-UHFFFAOYSA-N 395.488 2.805 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1OC 1357534 WBZPJVAMDZLOIK-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB COc1ccccc1N1CCN(C(=O)C2CCN(c3nccs3)CC2)CC1 8780452 JEWCBLDPGFZGBE-UHFFFAOYSA-N 386.521 2.717 0 40 GFAB Cc1c(C(=O)NCc2cccnc2-n2cccn2)cnn1-c1ccc(F)cc1F 42055984 MIEFULVOLZQLTG-UHFFFAOYSA-N 394.385 2.970 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1 780993 FQSXOUFNVXODBG-UHFFFAOYSA-N 385.449 2.800 0 40 GFAB O=C(NCCNC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccc(O)cc1 53742514 SCHWGTKYAXQECF-UHFFFAOYSA-N 385.807 2.860 0 40 GFAB CCONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 22874474 QTPSCLQNDZOFIQ-UHFFFAOYSA-N 382.869 2.599 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccccc1 3491765 XAQSOOGGNDOUSP-AWEZNQCLSA-N 383.477 2.949 0 40 GFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7813625 QBBPNGANQSSHHX-UHFFFAOYSA-N 387.417 2.533 0 40 GFAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(=O)[nH]cnc21 12413716 KFYWLOZRWANOHW-UHFFFAOYSA-N 397.382 2.889 0 40 GFAB biogenic,in-vitro COc1ccc(NC(=O)CN(C)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 8313385 JFYWOHCCMSNRKJ-HXUWFJFHSA-N 398.459 2.964 0 40 GFAB Cc1ccc(-n2cc(C(=O)Nc3ccc(N4CCOCC4)cc3C)nn2)cc1 42917271 QIAZVFRXVHBLFO-UHFFFAOYSA-N 377.448 2.973 0 40 GFAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1 25067316 XTXGWWIOIHSWAR-LRDDRELGSA-N 388.295 2.852 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 21960202 CPPSMQYQQOCWIF-QFIPXVFZSA-N 395.503 2.959 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)c(F)cc2N1 55941661 KWEJNMJSTWZSSY-UHFFFAOYSA-N 378.469 2.958 0 40 GFAB COCCNC(=O)c1ccccc1NCC(=O)N[C@H]1CCCc2ccccc21 26220295 YMMPQBHCXHKCEH-FQEVSTJZSA-N 381.476 2.669 0 40 GFAB CCCC[C@H](c1nnnn1CCOC)N1CCN(c2ccc(F)cc2)CC1 57670064 WCFAVVLIPPDRJN-GOSISDBHSA-N 376.480 2.512 0 40 GFAB CN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)c1nc2ccccc2s1 26966788 GGFBMMASASIDQE-UHFFFAOYSA-N 395.531 2.726 0 40 GFAB Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N)cc3N)cc2)c(N)c1 2023493 QEOFJTOVANPUHC-UHFFFAOYSA-N 376.420 2.520 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3occc3C)CC2)cc1 58193670 KSFZPXAYLUGNFY-UHFFFAOYSA-N 376.478 2.734 0 40 GFAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O 20573069 DDYNJFBOZOLEPT-SFHVURJKSA-N 393.443 2.838 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3S2)N2CCOCC2)cc1 12748225 REOMZGBTVPHTBG-PZJWPPBQSA-N 398.528 2.902 0 40 GFAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc(C)c4C)C(=O)[C@H]23)c1 101271334 SEVVCEQYKFYSKM-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB Cc1ncncc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 100155784 LJJFWGWJCJNXAW-GASCZTMLSA-N 378.436 2.934 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCCCC[C@H]32)C1=O 36338951 XDVVQSQOCUARGA-KRWDZBQOSA-N 392.459 2.577 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C)c(=O)n2N)c2ccccc2)c1 3371260 VQNBLOTVBGEXHS-KRWDZBQOSA-N 395.488 2.749 0 40 GFAB COC(=O)c1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)s1 11181291 SCKFMFFDIIYFTB-AWEZNQCLSA-N 376.434 2.749 0 40 GFAB CCn1ccc(-c2cc(C(=O)NCCn3nc(C)cc3C)c3c(C)noc3n2)n1 36617975 PGDUZIMQFQFNJF-UHFFFAOYSA-N 393.451 2.658 0 40 GFAB CCOC(=O)CCN(CC1CC1)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 60215296 OFGGTKKVAYIGAY-HNNXBMFYSA-N 392.883 2.885 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 3459651 FLDQDCFOXULMKC-LJQANCHMSA-N 389.358 2.694 0 40 GFAB CCCC[C@H](CC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 12999989 PIKDBQCGAHDNTD-HNNXBMFYSA-N 398.525 2.871 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc23)n1 12917073 HTWFLIOASTUXRB-GOSISDBHSA-N 392.503 2.907 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 8767239 UHMWYDHJDRISQH-UHFFFAOYSA-N 393.237 2.649 0 40 GFAB CCOCCCNC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22698684 GXKSWHCLASCZKN-LJQANCHMSA-N 392.521 2.686 0 40 GFAB Cc1ccc(C)c(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 8943234 QPAADICLTIIDEF-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc(C)c1CC 5060154 PCSMAQBGCMFWLX-UHFFFAOYSA-N 376.434 2.986 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 111882430 XLEKVQGEPFQIJO-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB CSCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1=O 14016190 QCEHCDXPSUGXJW-GUYCJALGSA-N 385.489 2.691 0 40 GFAB Brc1cnn(Cc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)c1 6448227 OWXJADBRCAXVAE-UHFFFAOYSA-N 395.224 2.675 0 40 GFAB C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(S(N)(=O)=O)cc1 6602407 BAMXCVFMEZTMEJ-ZDUSSCGKSA-N 398.484 2.989 0 40 GFAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1cccc[n+]1[O-] 5780024 UDIXQHVZVSOITL-UHFFFAOYSA-N 382.463 2.609 0 40 GFAB O=C(NCc1ccc(N2CCOC2=O)cc1)[C@@H]1CCCN1C(=O)c1cccs1 96008784 ZEIGWVDIBIXZRW-INIZCTEOSA-N 399.472 2.626 0 40 GFAB COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 9305338 ZSOYOMPHKCYPJI-UHFFFAOYSA-N 389.458 2.773 0 40 GFAB C[C@@H](NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)c1ccccc1 15858217 NKURKSWWQUEPQJ-GFCCVEGCSA-N 392.864 2.898 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nnnn2C)c2ccccc2)cc1 19926761 DVQCQJITYFQIMS-MRXNPFEDSA-N 397.460 2.859 0 40 GFAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CCOc1ccc(Br)cc1 8192622 PFJFADBCKRUMSM-MRXNPFEDSA-N 389.249 2.991 0 40 GFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCc2ccccc21 8157188 DYOZOPFYAJDOCG-ZDUSSCGKSA-N 376.507 2.810 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1)[C@@H]1CCCO1 25462990 KGHCPVHMNSVLTQ-IBGZPJMESA-N 399.516 2.824 0 40 GFAB O=C1CCCc2cc(C(=O)N[C@@H](Cn3cncn3)c3ccccc3)ccc2N1 84522598 BOCUKNJKSNSYME-IBGZPJMESA-N 375.432 2.724 0 40 GFAB Nc1nc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)nc2ccccc12 84573106 WHVMUIGIEHTJBR-UHFFFAOYSA-N 399.502 2.716 0 40 GFAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 408602668 DCMNSEPYMPNRDR-MRXNPFEDSA-N 386.429 2.699 0 40 GFAB Cc1ccnc(N2CCN([C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1 97165408 VKROAVVCWHPILJ-KRWDZBQOSA-N 388.537 2.524 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 20018899 VYAFPNGYZWSUHQ-UHFFFAOYSA-N 384.404 2.669 0 40 GFAB O=C(Nc1cccnc1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 72401132 QPYROOHOPLPGMD-UHFFFAOYSA-N 397.778 2.728 0 40 GFAB COc1cc(CO)c(OCC(=O)Nc2c(C)cc(C)cc2Cl)c(CO)c1 95949421 VJCYKKFBQZVRDF-UHFFFAOYSA-N 379.840 2.968 0 40 GFAB C[C@@]1(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1(Cl)Cl 22687614 IZFFZRYRLZPAAE-ZBFHGGJFSA-N 375.271 2.899 0 40 GFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 32998014 ZUHXWDDYAWPAQV-JFIYKMOQSA-N 378.538 2.808 0 40 GFAB COC(=O)/C(=C\Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 67340489 VJYCBAAIXCTDGD-LDADJPATSA-N 391.445 2.912 0 40 GFAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCc4cccc(Cl)c4)n3)c2n1 32090038 WKHGXWNIDUZVLU-UHFFFAOYSA-N 382.811 2.980 0 40 GFAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)NCc1ccco1 409190819 RBERXLUDLTVCPG-ZHACJKMWSA-N 386.429 2.681 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)c1 31517328 YZWYCVFOTPKJAM-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB COC[C@H](C)NC(=O)CN1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 72374274 OZSXNNSUYFVRRT-KRWDZBQOSA-N 397.523 2.859 0 40 GFAB COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225104262 YAMDQVHXXQLNQK-UHFFFAOYSA-N 381.425 2.819 0 40 GFAB CC[C@H](C(=O)NCc1ccccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220641948 ADQKRWGWMPMYPT-LJQANCHMSA-N 390.505 2.865 0 40 GFAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)CCN12 96269141 JMLIJLOMAGZSSF-MRXNPFEDSA-N 399.413 2.686 0 40 GFAB biogenic,in-vitro O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)N1CCCCCC1 96504811 WERLCXHXQYNKQS-YBEGLDIGSA-N 388.445 2.854 0 40 GFAB COc1ccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)c(OC)cc2=O)cc1 96183119 CNDIALSLYSZQPH-UHFFFAOYSA-N 395.415 2.575 0 40 GFAB CCOC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccccc1OC 245229633 CFUBRAONLUWDQV-KUHUBIRLSA-N 387.480 2.598 0 40 GFAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H](N3CCCC3)[C@H]2O)c1 257342440 ZOPWDLHUMBLDSD-YRXWBPOGSA-N 392.496 2.565 0 40 GFAB Cn1cc(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c(C(F)(F)F)n1 660940840 ZWQKVQXZGVRXRW-ZFWWWQNUSA-N 382.386 2.811 0 40 GFAB COCc1ccc(NC(=O)N2CCN(C(=O)N(C)C)CC2)cc1C(F)(F)F 667771837 NFVXHBGTLSSSAR-UHFFFAOYSA-N 388.390 2.683 0 40 GFAB Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H]1CCCC1(F)F 673377857 LEKCVHFSUPMQQC-LBPRGKRZSA-N 389.358 2.910 0 40 GFAB C[C@H]1CN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CC[C@@H](C)O1 606444920 FFOYSOTXGDMNGM-OLZOCXBDSA-N 375.391 2.774 0 40 GFAB Cc1cc(C(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)c(C)o1 390831594 SSLPOBVHUXFGLH-UHFFFAOYSA-N 389.477 2.702 0 40 GFAB O=C(c1ccon1)N1CCC[C@H](c2cncc(-c3noc(C(F)(F)F)n3)n2)C1 585289382 FKXFZXBIRGJFOG-VIFPVBQESA-N 394.313 2.553 0 40 GFAB COc1cc(S(=O)(=O)N2CCCc3cccc(F)c32)cc(C(=O)O)c1OC 55581131 KQSZFNMHBMEFTH-UHFFFAOYSA-N 395.408 2.683 0 40 GFAB Cc1nc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)s1 1615153331 CTWBLCDTJHIZHD-UHFFFAOYSA-N 385.489 2.798 0 40 GFAB CCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12 5235155 GONZQEDKWZFPCM-UHFFFAOYSA-N 390.505 2.905 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 12186058 HSGVDVIPVMPMNM-XJKSGUPXSA-N 391.475 2.799 0 40 GFAB COc1ccc2cnc(C3CCN(CC(=O)[C@@H]4CC(=O)N(C)C4)CC3)cc2c1C 12188138 VGTSHYIGOJPVHS-GOSISDBHSA-N 395.503 2.779 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)NCCOc2ccccc2OC)CC1=O 12877437 RJNOGBINHPKLQG-INIZCTEOSA-N 398.459 2.642 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(C)ccc1C 13580950 FURYGGWVIMZYIW-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585678 PYFUGWJTQPNVKI-UHFFFAOYSA-N 376.459 2.834 0 40 GFAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)c1 13646090 VHTWJMQWPPVPTJ-UHFFFAOYSA-N 395.912 2.741 0 40 GFAB CC(=O)c1ccc(NC(=O)c2nc(-n3cnnc3)ccc2Br)cc1 15867173 ZSUAZMQZECTPFD-UHFFFAOYSA-N 386.209 2.880 0 40 GFAB C[C@@]1(C(=O)N2CCCN(Cc3ccccn3)CC2)CC(c2ccccc2F)=NO1 19714012 ORGSPOXEQOXNLS-QFIPXVFZSA-N 396.466 2.838 0 40 GFAB Cc1nc(C2CCN(CCc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 19751981 NTMKGVGWAGMURL-UHFFFAOYSA-N 394.519 2.680 0 40 GFAB CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930044 BKYRWEOULKUYBH-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3nsc(Cl)c3Cl)C[C@H]21 12120033 BUJDNEHOVSKUMC-APPZFPTMSA-N 385.276 2.644 0 40 GFAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 16899561 YNQCHIRGTWRVKB-OAHLLOKOSA-N 385.397 2.816 0 40 GFAB COc1ccc(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)cc1CO 19559373 MPALCCQCRIOOSI-NZQKXSOJSA-N 380.488 2.826 0 40 GFAB COc1ccc(-c2cccc(CN3CCC4(CC3)NC(=O)N(C)C4=O)c2)cc1 19715699 ZXJBPONKELRGDD-UHFFFAOYSA-N 379.460 2.878 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1 4863647 QIMNYLNORLTPRB-XVJNWHFHSA-N 377.437 2.527 0 40 GFAB CC(C)C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 6784373 UHNNCVCXHJXDFA-QGZVFWFLSA-N 394.427 2.742 0 40 GFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2cc(F)c(-n3ccnc3)cc21 1889070778 JVIZJCHFOBVTAD-UHFFFAOYSA-N 394.381 2.932 0 40 GFAB O=C(CN1CCC(Cc2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1 14672801 LDYMPXDTTWTXKP-HXUWFJFHSA-N 380.488 2.897 0 40 GFAB COc1ccc2sc(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)nc2c1 2087150038 AVBLWEFCYXZNKU-UHFFFAOYSA-N 381.523 2.698 0 40 GFAB Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1 1059627 NVJOEHKXUWSFDM-UHFFFAOYSA-N 388.445 2.730 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(F)c(F)c2)cc1 4569345 BDVKQXIPLKSHKD-OAHLLOKOSA-N 394.443 2.856 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCc2ccccc21 7458766 MEYPHIIVVVRWRN-UHFFFAOYSA-N 379.391 2.973 0 40 GFAB CCCN1CCCc2cc(CCNC(=O)C(=O)NCCc3ccccc3)ccc21 11613023 OBNKLUZONQUUGQ-UHFFFAOYSA-N 393.531 2.867 0 40 GFAB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 16016923 GVLYJXYVIYDFGM-VMPITWQZSA-N 396.399 2.590 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 17113016 PCCBLELLQZSRPK-UHFFFAOYSA-N 387.461 2.601 0 40 GFAB CC(C)[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 12893069 ZDNBSOUWFJZXPL-HXUWFJFHSA-N 389.459 2.829 0 40 GFAB biogenic C[C@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 40112973 HWOAFHUKMQLUIE-CQSZACIVSA-N 398.898 2.742 0 40 GFAB O=C(CN1CCN(c2ccccc2F)CC1)NC[C@@H]1CCN(c2ccccc2)C1 51155976 UINFXPBNYHOVOW-IBGZPJMESA-N 396.510 2.590 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 31992314 VBHISOWDILAERK-HNNXBMFYSA-N 397.497 2.626 0 40 GFAB CC1CCN(S(=O)(=O)N2CCN(Cc3csc4ccccc34)CC2)CC1 32759392 GZIAJMPFVCKPOO-UHFFFAOYSA-N 393.578 2.996 0 40 GFAB O=C(NCCCn1ccc2ccccc21)c1cccc(S(=O)(=O)NC2CC2)c1 21970789 KGTUSWMFTQCEPX-UHFFFAOYSA-N 397.500 2.902 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 800394 MNZARJVKWRTPGM-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB COc1ccc(CCNS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1OC 894899 HYTNQNTURSDSAB-FOIQADDNSA-N 395.521 2.561 0 40 GFAB Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 1079944 RIIYMDCLJTUIHW-UHFFFAOYSA-N 390.343 2.502 0 40 GFAB CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1ccccc1F)C(F)(F)F 2257453 BJNCPDUZCSGPPI-MRXNPFEDSA-N 385.317 2.884 0 40 GFAB O=C(O)C1CCN(C(=O)CSc2nnc(NC3CCCCC3)s2)CC1 3320284 AESBFFOHPMRYOW-UHFFFAOYSA-N 384.527 2.698 0 40 GFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 3465154 NOCIOXVJPQPCRH-QFIPXVFZSA-N 391.427 2.530 0 40 GFAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cc(OC)ccc1OC 4944571 YUWSVLKHLQVSIN-ZDUSSCGKSA-N 389.477 2.774 0 40 GFAB O=C1C[C@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(Cl)cc1 5222269 QGMWWSMPWSHCAK-LBPRGKRZSA-N 386.807 2.702 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cccc2nonc12 5346301 HVBGMNMPGOEDEL-ZROIWOOFSA-N 380.385 2.898 0 40 GFAB Nn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C(F)(F)F 5470048 GBLDQOKCPOEWEM-LBPRGKRZSA-N 385.415 2.857 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)sc2c1CCC2 5530495 NDNWQSPOFHGZRA-UHFFFAOYSA-N 383.429 2.613 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)COc3cccc(-n4cnnn4)c3)c2C)no1 5673819 NLTIDUBOCJEZCK-UHFFFAOYSA-N 378.392 2.628 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)c(O)c(C)c3)C2=O)c1 6302412 HDAQFGGHDIUELS-YVLHZVERSA-N 379.416 2.849 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(Cl)cc1 6789925 UIESVBCMUALKON-MRXNPFEDSA-N 395.912 2.785 0 40 GFAB CCOC(=O)COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OC 6954756 WUMRBOGIELKSOF-WJDWOHSUSA-N 386.448 2.993 0 40 GFAB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)NC(N)=O 7098739 VAQDWLHQHVGYHA-ZROIWOOFSA-N 389.371 2.700 0 40 GFAB O=C(CN1CCc2ccccc21)NCC(=O)Nc1ccccc1Br 7348276 VVMGLPDHBTXGHZ-UHFFFAOYSA-N 388.265 2.567 0 40 GFAB O=C(c1ccc(F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7671586 IGNKVBHOHCQSCQ-INIZCTEOSA-N 381.407 2.884 0 40 GFAB NC(=O)C1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 8074605 OSBFVAUDTWHHBJ-UHFFFAOYSA-N 391.880 2.991 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 8316446 BGSPVXGJYHWIJI-HXUWFJFHSA-N 387.439 2.765 0 40 GFAB COc1cc(OC)c2c(C)c(CC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1 8490499 HAXYKRLPUFVSNP-KRWDZBQOSA-N 397.427 2.511 0 40 GFAB biogenic Cc1nn(C)cc1-n1c(S)nnc1Cn1nc(C(F)(F)F)c(Cl)c1C 8548544 YCNDZNFOGXKGNU-UHFFFAOYSA-N 391.810 2.823 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1C 8564149 TXHUQKBKRZNTGW-FQEVSTJZSA-N 399.472 2.862 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c1C 8564150 TXHUQKBKRZNTGW-HXUWFJFHSA-N 399.472 2.862 0 40 GFAB Cn1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2c1=O 8744882 LTOFUNVURZCTOR-KRWDZBQOSA-N 391.427 2.682 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1c(-c2ccccc2)noc1C 8924831 BVXJNIJUIMIFLS-UHFFFAOYSA-N 399.472 2.629 0 40 GFAB CC[C@@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 9253177 BARQYKCWDRKADO-WMLDXEAASA-N 385.489 2.690 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N1CCc2[nH]c3ccccc3c2C1 9955723 BGYCQMTXBWMTES-UHFFFAOYSA-N 394.475 2.697 0 40 GFAB O=C(Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 9989550 MNJXRDZQSXFZOH-UHFFFAOYSA-N 382.482 2.531 0 40 GFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc(OC)c(OC)c1 10256059 DFDRDJGSARCEGW-SIKDUDHDSA-N 380.444 2.811 0 40 GFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 10536722 ORDMMANYKMBTCX-HSZRJFAPSA-N 398.422 2.815 0 40 GFAB CC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc(C)nn1C 11579527 WIMHPVBPJSZETD-UHFFFAOYSA-N 380.404 2.636 0 40 GFAB CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(=O)O)cc1 12401634 ISVVUANIJIHQHR-SJPXOZHESA-N 396.443 2.834 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2ccccc2)[nH]n1 12507463 HMUYNCLAPCPNQB-GOSISDBHSA-N 382.489 2.942 0 40 GFAB COc1cc(C)c(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)cc1OC 12600640 GGXJDWUWYIOCLT-UHFFFAOYSA-N 387.480 2.504 0 40 GFAB COc1ccccc1-c1noc(CN2CCN(C(=O)c3ccccc3)CC2)n1 12762282 UKZAGILSHIFMNU-UHFFFAOYSA-N 378.432 2.703 0 40 GFAB C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 12884159 FBAAWZYETFHPEG-AWEZNQCLSA-N 393.534 2.962 0 40 GFAB C[C@H](Oc1ccc(F)cc1F)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 12899970 XVZIWLMUMNUAMA-JTQLQIEISA-N 378.331 2.852 0 40 GFAB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 13011462 KKNNJZZOVJDTNZ-AUUYWEPGSA-N 375.494 2.607 0 40 GFAB O=C(Cc1cccs1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 13524229 AHBRRSSWXUVUMZ-UHFFFAOYSA-N 379.445 2.591 0 40 GFAB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 13726829 LLFMWIZCWQYKMC-KRWDZBQOSA-N 389.415 2.978 0 40 GFAB Cc1cc(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)nc(C(C)C)n1 14019064 ZRONTGNECDYDSL-UHFFFAOYSA-N 394.522 2.595 0 40 GFAB C[C@H](NC(=O)COC(=O)c1ccc(C(N)=O)cc1)c1ccc2ccccc2c1 14199617 KILLGWLNJFMZPP-AWEZNQCLSA-N 376.412 2.973 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc12 14722684 GERHNIFCNHIUDG-HZPDHXFCSA-N 382.416 2.605 0 40 GFAB Cc1ccc(NC(=O)CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C 15402191 LHUQOLUHWGWJRQ-UHFFFAOYSA-N 387.505 2.555 0 40 GFAB Cc1ccccc1CNC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843072 VPMNNJCQAQLHIS-UHFFFAOYSA-N 386.473 2.628 0 40 GFAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)cc1 16954810 JOIMYKSYXXVYFN-CYBMUJFWSA-N 379.372 2.994 0 40 GFAB CN(C)C(=S)/N=c1\ss/c(=N\C(=S)N(C)C)n1C1CCCCC1 18028838 CAOPUZXLQRIKTB-VMNXYWKNSA-N 389.641 2.611 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 19169121 BKLNKISPJKCHFE-UHFFFAOYSA-N 383.267 2.668 0 40 GFAB COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)c3ccccn3)C[C@H]1CC2 19571905 CYSDJTFZTYDSRN-PBHICJAKSA-N 375.432 2.608 0 40 GFAB Cc1ccccc1N1C[C@H](C(=O)NC2CCN(Cc3ccccn3)CC2)CC1=O 19714009 BZSGDLHKGDTIDF-GOSISDBHSA-N 392.503 2.524 0 40 GFAB Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1N1CCCC1 19716195 KRARIEVHHXYCLQ-UHFFFAOYSA-N 390.480 2.938 0 40 GFAB CCOC(=O)c1ccc(CSc2nnnn2-c2ccc(C(=O)O)cc2)cc1 19854503 NDKAQJQQWYULHN-UHFFFAOYSA-N 384.417 2.830 0 40 GFAB Cc1ccc(C2=NN(C(=O)[C@H](O)c3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 20070052 HTZMUQDCBPVADW-AEFFLSMTSA-N 378.350 2.916 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(Cl)cc1-n1cnnn1)CC2 20427132 GLGDOOCHUAGILX-UHFFFAOYSA-N 399.838 2.531 0 40 GFAB Cc1coc2cc3oc(=O)c(CCC(=O)NCCN4CCOCC4)c(C)c3cc12 20612103 FRQPPMMXJRFDLM-UHFFFAOYSA-N 398.459 2.537 0 40 GFAB biogenic Cc1nc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cs1 22286658 ICUAGWVXLQFRSD-FBOQAHMBSA-N 394.474 2.651 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccn1 22687999 YDNZPIGNNFSAJJ-FQEVSTJZSA-N 397.500 2.854 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)c1 22765677 FAPVEYGHRLWEKY-SFHVURJKSA-N 376.478 2.569 0 40 GFAB COc1cccc(CCC(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1 23099502 CJHWCSXPJBEFMK-UHFFFAOYSA-N 398.503 2.989 0 40 GFAB CC(=O)N1c2ccc(C(=O)Cn3nc(-c4cccs4)oc3=O)cc2C[C@@H]1C 24829066 IUFNLGHVAJKSSU-NSHDSACASA-N 383.429 2.745 0 40 GFAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)c(F)c1 25063730 ZHKWZBMAYNMTQO-UHFFFAOYSA-N 391.374 2.585 0 40 GFAB O=C(COC(=O)c1ccsc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 25119075 AGWCWYKMRYNKFA-UHFFFAOYSA-N 379.459 2.572 0 40 GFAB O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 25315690 YMXAWKDEQJBWCG-RXMQYKEDSA-N 378.898 2.501 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc2c(c1)OC(F)(F)O2 25457443 YYMSCEFNIJZQNQ-UHFFFAOYSA-N 376.315 2.910 0 40 GFAB O=Cc1ccc(N2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)s1 25665270 FMUVWMMVRZPOFT-INIZCTEOSA-N 394.924 2.914 0 40 GFAB CN(C)CCCN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32095866 JODYIIIFUHCLMB-SFHVURJKSA-N 378.904 2.516 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)COc2nnc(-c3ccccc3)o2)cc1 32809897 NQJZGMYTQSFAOW-UHFFFAOYSA-N 380.404 2.521 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C(C)=O)cc1 33047789 ROTVRQCUUYCHHR-MRXNPFEDSA-N 375.446 2.740 0 40 GFAB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)cc1 35572312 ZDNPORUVXOZBDA-HXUWFJFHSA-N 394.471 2.913 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2occc2n1Cc1ccc(Cl)cc1 36357709 JAGZSODEVYQPCW-CQSZACIVSA-N 392.864 2.853 0 40 GFAB c1ccc(N2CCN(c3nc(NCc4ccccn4)nc4nccnc34)CC2)cc1 36365038 PWNLJCUBIJUERK-UHFFFAOYSA-N 398.474 2.754 0 40 GFAB C=CCc1cc(C)ccc1OC[C@H](O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 43741278 NMHNTFQSXJSKNO-HLAWJBBLSA-N 394.515 2.744 0 40 GFAB biogenic O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 44450957 JYIYVNPRGSDZTP-AJKRIUKHSA-N 388.445 2.551 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)CCc2nc(-c3cccs3)no2)ccn1 47013704 JNWIWLNFHBPYTJ-UHFFFAOYSA-N 394.460 2.936 0 40 GFAB COc1cc([C@@H](C)NC(=O)c2nccnc2N)ccc1OCc1ccncc1 47673711 YQVMQBPUIVQBGU-CYBMUJFWSA-N 379.420 2.532 0 40 GFAB COC(=O)CCNC(=O)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 49551281 JJFIFJXQRVGIFU-UHFFFAOYSA-N 390.802 2.748 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O 57478756 MNMFWBAGZBWDQV-UHFFFAOYSA-N 377.853 2.561 0 40 GFAB O=C(COC(=O)COc1ccc(F)cc1Br)Nc1ccccc1O 58080308 APIPGWKSLQSHIO-UHFFFAOYSA-N 398.184 2.855 0 40 GFAB C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)N1CCOCC1 58180039 NAOCIRKWCKFZMG-AWEZNQCLSA-N 375.856 2.973 0 40 GFAB Cc1cc(N2CCOCC2)nc2sc3c(SCC(=O)O)ncnc3c12 71281512 WJZWYVVKYNOXHP-UHFFFAOYSA-N 376.463 2.561 0 40 GFAB COc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 71283903 PBJIBJFBIOXFKP-ZFWWWQNUSA-N 375.450 2.683 0 40 GFAB Cc1ccc([C@@H](C)C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 72325683 NHMOMEQYZYCLTH-MRXNPFEDSA-N 399.516 2.821 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CC[C@H](O)[C@H](C)C2)nc1-c1cnc(C)cn1 72337671 RUGKBOSDUMNVES-XIKOKIGWSA-N 394.479 2.975 0 40 GFAB CC(C)Oc1ccc(CNC(=O)c2cn(C[C@H](O)c3ccccc3)nn2)cc1 77197179 HESXLUWOGZGONU-FQEVSTJZSA-N 380.448 2.729 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@H](OCCC(C)C)C1 79049083 DPJVQAOTEIIKDL-ZDUSSCGKSA-N 393.875 2.602 0 40 GFAB CCc1ccc(OCC(=O)N(C)C[C@H](O)CN2CCc3ccccc3CC2)cc1 89286329 VASOBULRMXMNSK-QFIPXVFZSA-N 396.531 2.548 0 40 GFAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1nc2ccccc2[nH]1 95473229 DDBHWZTVFJONAO-CQSZACIVSA-N 395.854 2.693 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)o1)c1cccs1 95939905 RAIHKZXWWZJDLC-SECBINFHSA-N 379.301 2.685 0 40 GFAB O=C(O)c1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 96296422 GRDKYMHLXIJJPS-HNNXBMFYSA-N 377.400 2.577 0 40 GFAB biogenic,in-vitro COc1ccc(OC)c(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@@H]3C2=O)c1 101360752 AVMJNCJSYBFURN-RDJZCZTQSA-N 386.791 2.650 0 40 GFAB C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102819346 ZARGVBGIFOXWHK-OOBKWSLZSA-N 390.524 2.909 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42CC[C@@]1(OC)[C@@H](C(C)=O)C2 103841459 KRWAWNXEYPCCLG-WKXVFJCSSA-N 383.488 2.729 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@@H]4[C@@H]3C2=O)c(C)c1 104174609 RYVFXXUJONFDDV-MHTWAQMVSA-N 399.450 2.900 0 40 GFAB COc1ccc(C[C@@](C)(O)CNC(=O)c2cncc(Br)c2)cc1 206705706 BRYJGADIDDQIPR-QGZVFWFLSA-N 379.254 2.576 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2ccc(C)cc2)cc1)S(=O)(=O)CC 222400266 CQXWPQNHJGLGGH-UHFFFAOYSA-N 390.505 2.980 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 223457337 BPOAAKDBXNGHAP-GOSISDBHSA-N 388.439 2.767 0 40 GFAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224008737 YGHKXHZVYXVDQX-ZDUSSCGKSA-N 398.887 2.993 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 224047075 JDQMLYQZZIDSFC-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224888752 YCNNRUZHFLXOET-UHFFFAOYSA-N 390.461 2.630 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(SC(C)C)s2)ccc1C 224888770 PBIPAMUGLBIEDQ-UHFFFAOYSA-N 387.508 2.934 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccccc3)s2)c1 225101294 WGSSYORKSVKVIS-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225552770 WKHQXNXPTSWQAJ-UHFFFAOYSA-N 378.469 2.729 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1N1C(=O)CCC1=O 225739431 BIQXKXQXKHEHPU-UHFFFAOYSA-N 388.445 2.766 0 40 GFAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)c(OC)c1 225924120 QGLXLXBJTSLNCQ-UHFFFAOYSA-N 392.477 2.541 0 40 GFAB CC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(OC)cc1 248004179 FQHKJRCWNPPAQA-FNXXIHLHSA-N 387.480 2.763 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCSCC1 253403197 PMVTYVYBLPJUDQ-HNNXBMFYSA-N 384.498 2.796 0 40 GFAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)oc2c(F)cccc12 257258329 KTJAIXDFFXGMRG-KZNAEPCWSA-N 390.455 2.567 0 40 GFAB Cc1ccccc1C(=O)N1CC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306125763 DBUGQTPQQZYDPZ-KRWDZBQOSA-N 391.475 2.504 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1C 408552739 NLDYPOQJPAJRQR-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409131303 IUQJHQRDVJULFW-UHFFFAOYSA-N 390.505 2.501 0 40 GFAB O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCN(c2nccs2)CC1 527769191 XUVTULXKGJHTLE-UHFFFAOYSA-N 385.415 2.657 0 40 GFAB O=C(O)Cn1cc(CCN2CCC(c3ccccc3Br)CC2)nn1 570522270 YNXHMGGACOSCQB-UHFFFAOYSA-N 393.285 2.547 0 40 GFAB O=C(c1c[nH]c2ccccc12)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095749 IABFFARSKVNOSB-MRXNPFEDSA-N 393.447 2.506 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4ccccn4)nc3[C@@H]2C)c1 585096554 SICAGGGLFLTQBJ-INIZCTEOSA-N 389.459 2.734 0 40 GFAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(CN2C(=O)CCC2=O)C1 585148714 DBEMPOOWUBUWND-UHFFFAOYSA-N 382.391 2.839 0 40 GFAB COc1cc(Br)c(C[S@](=O)Cc2cc(C)n(C)n2)cc1OC 610856479 MYRHRKIKHBFRJA-QFIPXVFZSA-N 387.299 2.957 0 40 GFAB CCOc1ccc(CNC(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)cc1OC 623420408 AVKWYACZBCXNPN-NHYWBVRUSA-N 376.375 2.955 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)s1 1775969121 YJCQLTJBGGVQIA-LBPRGKRZSA-N 376.459 2.536 0 40 GFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(C)c(C)c2)nn1 1888879514 ACTPOPHQNMFJNV-JWTNVVGKSA-N 390.509 2.598 0 40 GFAB CCOc1cccc2sc(N3CCC(NS(=O)(=O)C4CC4)CC3)nc12 1888897869 SXKALPPKSHYFJX-UHFFFAOYSA-N 381.523 2.746 0 40 GFAB COc1cc(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cc(OC)c1 2037984352 YFRXRLKXQAKANL-NRFANRHFSA-N 376.497 2.696 0 40 GFAB O=CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 12321434 LAPMKVQYFDJCJO-NRFANRHFSA-N 393.443 2.647 0 40 GFAB Cn1c(SCC(=O)N2CCc3sccc3C2)nc2sccc2c1=O 22314871 LBWMWDBQNYLOGM-UHFFFAOYSA-N 377.516 2.734 0 40 GFAB COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccccc23)N2CCOCC2)cc1 22686180 XOYBTAJDWVVAPG-QFIPXVFZSA-N 393.487 2.909 0 40 GFAB CCCOc1c(Br)cc(C(=O)OCC(=O)NC2CC2)cc1OC 3508968 RVRWEUJXSQOSSG-UHFFFAOYSA-N 386.242 2.682 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCC[C@@H]2CCCC[C@@H]21 22805355 YJKVTAQZLORGBO-PMACEKPBSA-N 399.535 2.714 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4303689 XINPLTKQOKCZLO-SGPHBRAGSA-N 383.828 2.675 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 4965619 ZFRDNNMFCBHDOT-INIZCTEOSA-N 381.432 2.976 0 40 GFAB COc1ccc(-c2cc(C(=O)Nc3nnn[nH]3)c3ccccc3n2)cc1OC 6406976 WUUIJECGTCRDJE-UHFFFAOYSA-N 376.376 2.684 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N(C)CCOc1ccc(Cl)cc1 23395709 YKDJPFQVJCAKBN-UHFFFAOYSA-N 389.882 2.888 0 40 GFAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N(CCCN1CCOCC1)Cc1ccncc1 105663317 WBYAZGPHRFRLPW-SLFFLAALSA-N 388.581 2.669 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 10314328 IKOYRHFQDCCPBN-UHFFFAOYSA-N 376.434 2.714 0 40 GFAB C[C@@H](C(=O)Nc1ccc(NC(=O)Cc2noc3ccccc23)cc1)n1cncn1 25295835 YMKGSCRTEIEZRG-ZDUSSCGKSA-N 390.403 2.800 0 40 GFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC(F)F)c(OC)c1 1460572 MAMOUINQFDYYCP-CQSZACIVSA-N 380.351 2.740 0 40 GFAB Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c(C)c1 9569782 ZHKIMDVIPHCBGD-UHFFFAOYSA-N 391.493 2.620 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccsc1 25328952 RRQSPCSZVMICST-AWEZNQCLSA-N 388.461 2.777 0 40 GFAB CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1N1CCOCC1 12537855 XTIVTSRZJKGLFZ-UHFFFAOYSA-N 375.419 2.872 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)C1CCCCC1 57318557 IGPLGSMFCCPBAZ-QFIPXVFZSA-N 383.492 2.951 0 40 GFAB COc1ccccc1-c1cc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)[nH]n1 58223178 TUZAECBJAKHQFG-CQSZACIVSA-N 378.436 2.730 0 40 GFAB O=S(=O)(N[C@@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1)C1CC1 108526105 XUZVOJLNGQCMJF-MRXNPFEDSA-N 398.956 2.935 0 40 GFAB CN(C[C@@H]1CCCN(C(=O)NCCc2ccccn2)C1)C(=O)OC(C)(C)C 58032184 GYJJNMJWPPQUOJ-INIZCTEOSA-N 376.501 2.913 0 40 GFAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2c(O)cc(F)cc2F)C1 58223262 XVBNVTUTYGGMCQ-GFCCVEGCSA-N 375.375 2.865 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(Cn2ccnc2)c1 25175457 MXCFWVSXTVAHNN-UHFFFAOYSA-N 395.463 2.515 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)NC[C@H]([C@H]3CCOC3)N3CCCC3)ccc12 58381201 OLPVDYOPQWIQJH-MAUKXSAKSA-N 385.464 2.724 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(F)c(NC(C)=O)c2)c(OC)c1OC 12765586 ULORSZQAJMTHAK-UHFFFAOYSA-N 376.384 2.991 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2 53698012 IBZGIWXXFXQGKO-CYBMUJFWSA-N 379.503 2.618 0 40 GFAB CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2433228 ZXDGKJVGKVGXGC-PXAZEXFGSA-N 387.432 2.809 0 40 GFAB O=C(Cc1ccccc1I)N[C@H](CO)c1ccccc1F 95983327 LKKPZWCOXFEEGB-OAHLLOKOSA-N 399.203 2.823 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 11497647 RHWKPVUUNVNUGY-ZDUSSCGKSA-N 395.297 2.549 0 40 GFAB CCOC(=O)c1ccc(N2CCN(c3ccc(Br)cn3)CC2)nc1 29624837 XSHKUTXFCZKUEA-UHFFFAOYSA-N 391.269 2.742 0 40 GFAB C[C@H](OC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)NC1CCCCCC1 11940486 ZNIHDXNCVJNQKA-WMLDXEAASA-N 375.469 2.557 0 40 GFAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1nnsc1Cl 21604472 OTJCYXAILVGKGY-UHFFFAOYSA-N 378.841 2.652 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc4c(s3)CCCCC4)ccc21 12828139 SSFYHAKFONWLAX-UHFFFAOYSA-N 384.461 2.687 0 40 GFAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)cc1 12881905 RJAVGTHAHRXTFO-CQSZACIVSA-N 394.518 2.598 0 40 GFAB COc1ccc(OC)c(COC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 12821843 VUHICKCMXGSSBV-UHFFFAOYSA-N 391.445 2.601 0 40 GFAB Nn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccco1 3445270 FPKWMUXBCNJOJI-UHFFFAOYSA-N 397.504 2.825 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cn1 27913104 ZDHJLPPKRNZXCS-UHFFFAOYSA-N 390.846 2.942 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 12979916 KXABRBUGEAGJBQ-UHFFFAOYSA-N 384.501 2.630 0 40 GFAB O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CCC[C@H]32)C(=O)N1c1ccccc1 13591553 VGPPNMJOTXACEX-HRAATJIYSA-N 379.391 2.620 0 40 GFAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1 72304275 HJSRNBRXAYQTAE-QFBILLFUSA-N 378.472 2.923 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 6086082 IOWHIZXDEYANGE-CJNGLKHVSA-N 398.550 2.551 0 40 GFAB COc1cc2c(cc1C(=O)NCc1ccc3c(c1)OCCCO3)OCCCO2 64986936 NDWFGDPFSLOGHG-UHFFFAOYSA-N 385.416 2.948 0 40 GFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 6108517 RBXAVJATNJJPDW-HSZRJFAPSA-N 389.455 2.532 0 40 GFAB O=C([C@H](NCc1ccccc1CN1CCOCC1)c1ccccc1)N1CCCC1 14142226 BKRGMOVXAIPINR-HSZRJFAPSA-N 393.531 2.972 0 40 GFAB COc1ccc(OCC(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 20528745 NUCHVVUSYDVZAZ-UHFFFAOYSA-N 381.417 2.879 0 40 GFAB Cc1c(C)n(CCCN2CCOCC2)c2ncn(Cc3ccccc3)c(=N)c12 6669729 BRCUEASMVWLUQD-UHFFFAOYSA-N 379.508 2.705 0 40 GFAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F)c1ccccc1 4734951 JFCKGZRLAHWGKJ-OAHLLOKOSA-N 379.334 2.702 0 40 GFAB CCC[C@H](CC(=O)O)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 95989916 RIFBOUXNEJKXNX-OAHLLOKOSA-N 390.461 2.861 0 40 GFAB Cc1cc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccc(Cl)cc2)no1 66608365 BCUGCYZFABGYBJ-INIZCTEOSA-N 376.844 2.799 0 40 GFAB COc1ccc(C(C)=O)cc1Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 6880006 LAWVVJDSXNZRDM-UHFFFAOYSA-N 392.390 2.981 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 6982114 XFZGBTYXRBXLTB-UHFFFAOYSA-N 390.461 2.765 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1OC 5937356 FREGHDXSFAWIFG-UHFFFAOYSA-N 391.855 2.866 0 40 GFAB CCn1c2ccccc2c2cc(NC(=O)CN3CCC(C(N)=O)CC3)ccc21 7435695 WXEWEUIFVJPRCQ-UHFFFAOYSA-N 378.476 2.950 0 40 GFAB Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1O 7700591 XUAGJTKXKBYIBI-UHFFFAOYSA-N 386.795 2.730 0 40 GFAB Cc1cc(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833665 RHGMOUFVZDNFQE-LSDHHAIUSA-N 392.546 2.978 0 40 GFAB COc1ccccc1CNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8318950 ZBJUOVZEFGUYSF-SFHVURJKSA-N 382.460 2.920 0 40 GFAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)Cc1ccccc1C(=O)O 70666633 XAJIIYSFTZWGAY-UHFFFAOYSA-N 382.372 2.843 0 40 GFAB biogenic CCn1nc(C(=O)OCc2nc(-c3ccccc3)no2)c2ccccc2c1=O 8807129 HXFDGQKXLHOPMP-UHFFFAOYSA-N 376.372 2.823 0 40 GFAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc(OCC(N)=O)c2)c1 95958499 VMMYQSQUPAQOAV-UHFFFAOYSA-N 378.432 2.914 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 89919963 MMZZAWJPDYPWKS-RNODOKPDSA-N 380.400 2.897 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)c1ccccc1 62022791 GNJOYZOGGXECFT-WMZOPIPTSA-N 376.464 2.756 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCCC(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325600 HZZNRXNVDGYOJJ-KRWDZBQOSA-N 389.521 2.994 0 40 GFAB CS(=O)(=O)c1cccnc1CNC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 516549616 MBTPCBAFVLLVFA-KRWDZBQOSA-N 399.516 2.964 0 40 GFAB O=C(CC1CC1)NCC[C@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306143896 YQCFJENLHUEWIQ-KRWDZBQOSA-N 381.476 2.705 0 40 GFAB CC(C)C(=O)Nc1cc(-c2nc(Cc3nncn3-c3ccccc3)no2)ccn1 551065724 GHTRDSFOCCQNTM-UHFFFAOYSA-N 389.419 2.898 0 40 GFAB Cn1nc(N2CCC[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)ccc1=O 77100947 ABPTXSOGRPNDIU-NSHDSACASA-N 381.263 2.942 0 40 GFAB CC(C)N1C[C@]2(CCN(Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O 306135326 ONOXRBPMQKUDIE-HXUWFJFHSA-N 387.505 2.518 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(-c3ccco3)o2)CC1 35597688 NIOMNUWHOWHMFG-UHFFFAOYSA-N 378.410 2.503 0 40 GFAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 72360403 YUGBLILEJOOKLP-HNNXBMFYSA-N 388.497 2.779 0 40 GFAB CCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2ccncc2)C1 72350638 JGELSIYQCWPDBS-QGZVFWFLSA-N 376.464 2.568 0 40 GFAB C[C@@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 32842058 QURBUOHTJADETJ-ZDUSSCGKSA-N 381.523 2.704 0 40 GFAB CCSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)s1 224683842 FZMCAROQPPAWCV-UHFFFAOYSA-N 386.524 2.688 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)cc1OC 42646773 COHKDWUYPQNVOW-UHFFFAOYSA-N 386.448 2.788 0 40 GFAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCCCC2)n1 225879951 FVIYSWBHCZBUHK-UHFFFAOYSA-N 375.527 2.714 0 40 GFAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)CCC2 223229854 SBEFPTTWUZEPGY-AWEZNQCLSA-N 398.484 2.587 0 40 GFAB Cc1csc(CCNC(=O)[C@H]2CC(=O)N(c3cc(F)c(F)c(F)c3)C2)n1 96118620 NKNIXXDOBBYIGL-JTQLQIEISA-N 383.395 2.581 0 40 GFAB O=C(NCC1CC1)[C@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)c2ccccc21 96079321 QPQBWMHJMKWITO-KRWDZBQOSA-N 378.476 2.597 0 40 GFAB O=C(O)c1ccc(OC[C@@H](O)CN2CCC3(CCc4ccccc4O3)CC2)cc1 659802292 QNNSVLYTMQTJQQ-IBGZPJMESA-N 397.471 2.984 0 40 GFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCOC[C@@H]2C)cc1 676516075 RPKBKUYGBWAPLA-HNNXBMFYSA-N 377.444 2.945 0 40 GFAB COc1cccc(NC(=O)NCCn2cnc(C3CCCC3)cc2=O)c1OC 96119176 WXLCLRIXZUJEHS-UHFFFAOYSA-N 386.452 2.740 0 40 GFAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cc(O)nc2ccccc12 390830012 IDFQZGOMIHVMRK-JTQLQIEISA-N 391.353 2.587 0 40 GFAB OC1(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 585282002 FDMAALIPXFJPJQ-HXUWFJFHSA-N 383.916 2.867 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)c1 585106758 HNVDCKWJOQOYHJ-NZQKXSOJSA-N 378.472 2.770 0 40 GFAB COc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1 169768644 ITXIGHHJVJXVHC-UHFFFAOYSA-N 383.477 2.852 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1O 83957451 SJLZGCSFSQCRQD-VUDGCMKMSA-N 387.354 2.758 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCCc3nc(N4C[C@H](C)O[C@@H](C)C4)ncc32)cc1 12241189 NNPJOAOMIBBSNZ-YZVOILCLSA-N 396.491 2.906 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccncc4)CC3)nn2)cc1 13657992 SNIPTBDIYWELNY-UHFFFAOYSA-N 389.459 2.900 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)c1 16312411 VCOAEIMYUJZGFB-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 16637360 WJNUUQKKWZNHCL-LBPRGKRZSA-N 391.331 2.765 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(OC)c1 6326843 YMKJWNPBEZCEHU-VIZOYTHASA-N 379.434 2.939 0 40 GFAB COc1cc(C)c(S(=O)(=O)N2CCOc3c2c(C)nn3C)cc1C(C)C 562420868 RESZIOKJURVFLG-UHFFFAOYSA-N 379.482 2.757 0 40 GFAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Br)cc1 5459813 KAUHXBHKLFMDAQ-LLVKDONJSA-N 388.225 2.831 0 40 GFAB FC(F)(F)c1ccc(N2C[C@@H]3CN(c4ncnc5c4CCC5)C[C@H]3C2)nc1 1888853353 JJLWLOXQVLVGGY-CHWSQXEVSA-N 375.398 2.952 0 40 GFAB Cc1nc(N2CCN(c3nc4c(C)cccc4s3)CC2)c2cnn(C)c2n1 1888928881 QCMKEKUSRUEDGX-UHFFFAOYSA-N 379.493 2.916 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 1848354150 UURWOYNHMQQCTM-NRFANRHFSA-N 379.504 2.552 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4224367 GQAQUIJRVSHEJD-CQSZACIVSA-N 397.456 2.707 0 40 GFAB COc1ccc(OC)c2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc12 4517967 WUXICOSTAGQDNM-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(N(C)C)cc1 7451306 HRJYOFMCFLBBNS-UHFFFAOYSA-N 382.395 2.699 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 9165576 IBUOMZWRESSFJC-UHFFFAOYSA-N 390.461 2.877 0 40 GFAB Clc1ccccc1N1CCN(c2ncnc3c2ncn3C[C@H]2CCCO2)CC1 2298101779 YRWZHORHGSKZPA-OAHLLOKOSA-N 398.898 2.985 0 40 GFAB COc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc1OC 55142526 HNKPPWGAFWVDPL-INIZCTEOSA-N 378.425 2.682 0 40 GFAB CCOc1ccc(N/C=C(/C(=O)OC)S(=O)(=O)c2ccc(OC)cc2)cc1 100025911 PBIXTLZLXVOXCF-AQTBWJFISA-N 391.445 2.994 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1cccc(N2CCOC2=O)c1 40105003 OMMYANLRXWZYEW-UHFFFAOYSA-N 378.392 2.546 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1Cl 40133396 PUBXDZNWGKHABR-SNVBAGLBSA-N 394.262 2.737 0 40 GFAB O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Cl 100119040 VFQZKLFWSXNIKG-IBGZPJMESA-N 383.879 2.790 0 40 GFAB COC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 31764465 YYEAASLDWMNPSC-SNVBAGLBSA-N 393.852 2.504 0 40 GFAB O[C@@H](CN1CCN(c2ncccn2)CC1)Cn1c2ccccc2c2ccccc21 20476888 DAAFYTIMPHFJON-SFHVURJKSA-N 387.487 2.768 0 40 GFAB Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)c1C 101341769 KJUJXYXLZKIHKC-KDURUIRLSA-N 397.519 2.517 0 40 GFAB O=C(C1CC1)N1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 32483947 VVTPKLAKQVBHKJ-UHFFFAOYSA-N 389.927 2.633 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102129069 VYZXDINUGYIPIU-GASCZTMLSA-N 394.427 2.544 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2NC1=O 32772847 DSDYEPUZPWGKHP-GFCCVEGCSA-N 378.388 2.528 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H]4CCCN4c4ccccc43)ccc21 32916456 UNPIEJKUTSCYFE-KRWDZBQOSA-N 397.500 2.773 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)CN2CCN(Cc3ccccn3)CC2)c1 22134236 FCAUUMIACWNCCR-UHFFFAOYSA-N 398.507 2.635 0 40 GFAB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 854183 RQANCGWWLBZBFD-UHFFFAOYSA-N 382.463 2.729 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)CC1 902179 YQLMARXZEDVMNS-UHFFFAOYSA-N 393.553 2.922 0 40 GFAB O=C(CSc1ccccc1Cl)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268674 HOZYKDNWEWSTOA-UHFFFAOYSA-N 399.877 2.708 0 40 GFAB Cc1ccccc1N1C[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O 8039571 FGFZHSZYYKZZRA-FUHWJXTLSA-N 380.444 2.769 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8891359 CGWMLKQFTORJIA-GOSISDBHSA-N 390.802 2.670 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)NCCC(=O)OC(C)C)CCCC2)cc1C 55431345 QNOVTKBCYLPPKP-UHFFFAOYSA-N 395.521 2.848 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22536813 UJNIMIMASQMFDT-CQSZACIVSA-N 394.468 2.770 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)O)cc1)O[C@H](C)C2 12560511 VQKJVCMXOXCVLW-LLVKDONJSA-N 377.418 2.908 0 40 GFAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1OCC(=O)NC 56114991 VTXGSRYDORQVQD-QGZVFWFLSA-N 376.478 2.549 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2cccc(F)c2)CC1 35284178 FJPSNDHCFCYIIN-UHFFFAOYSA-N 383.467 2.714 0 40 GFAB Cc1nn(-c2ccccc2)c(=O)c2c1[C@H](c1ccc(Cl)cc1)n1nnnc1N2 35323742 UHVPILZQNCDKSG-KRWDZBQOSA-N 391.822 2.876 0 40 GFAB CNC(=O)[C@H](C)OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 26492498 RWVMXGVEQAZDHN-VIFPVBQESA-N 393.793 2.648 0 40 GFAB CC(C)(C)NC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472978 YTYQDOMHTOHKFV-UHFFFAOYSA-N 399.878 2.780 0 40 GFAB COc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)cc1 57525957 UZMUPMVYSYJUEY-UHFFFAOYSA-N 395.459 2.857 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2c(SC)nc3ccsc3c2=O)cc1 57505110 WMAGBNZMXNNXJX-UHFFFAOYSA-N 389.458 2.605 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@@H]3N2Cc2cccnc2)cc1 100221736 QVTCOIFLFWALPE-PXNSSMCTSA-N 394.500 2.933 0 40 GFAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cccc3ccccc23)CC1 27365919 ILQSQZZAWNBJSJ-MRXNPFEDSA-N 391.523 2.552 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl 28208086 UPGXCSQSKLWNHG-GFCCVEGCSA-N 376.906 2.664 0 40 GFAB Nc1nc(COC(=O)[C@@H]2Cc3ccccc3S2)nc(Nc2ccccc2)n1 10723623 XWARGRLZLFDSDQ-HNNXBMFYSA-N 379.445 2.958 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)s1 11204251 KHLGCSPJABSJSS-UHFFFAOYSA-N 380.422 2.725 0 40 GFAB NC(=O)CN1CCC(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 10922495 GNUMMAPMHWINBO-UHFFFAOYSA-N 388.471 2.581 0 40 GFAB CN(C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 3381245 IIVOIMDFRNAXHD-UHFFFAOYSA-N 383.372 2.503 0 40 GFAB O=C(NC1CCC2(CC1)OCCO2)N1CCN(c2ccccc2Cl)CC1 46073468 WNDHUEBMBLQUMS-UHFFFAOYSA-N 379.888 2.857 0 40 GFAB NC(=O)[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 11809206 GISQCIHPRZYWNQ-MAUKXSAKSA-N 395.484 2.894 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 13137227 HOQYPSBOJWLFLR-OKILXGFUSA-N 397.504 2.705 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc1 4046884 BPTYIBFPGCGEDI-FXAWDEMLSA-N 380.400 2.884 0 40 GFAB biogenic CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2[C@H](C)COC)c1 6173365 IRTUJKXUSUMDAJ-GFCCVEGCSA-N 384.527 2.846 0 40 GFAB COc1ccc(OCC(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)cc1 9205128 NEWZFBNMFDHLRN-UHFFFAOYSA-N 385.376 2.780 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 9250892 MBIFEAPNGXDRFO-NSHDSACASA-N 380.495 2.519 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N(CCO)CCO 118915694 IEQZBQLFRAVFHT-KVWWBZGASA-N 377.569 2.965 0 40 GFAB in-vitro CN(CC(=O)NC1(c2cccc(Br)c2)CCC1)c1cnccn1 65806280 DDYPUUDDSFJNKK-UHFFFAOYSA-N 375.270 2.871 0 40 GFAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccccn2)c(=O)n1Cc1ccccc1 96794422 ZHHGACBWTMDWKB-DKPWPWCWSA-N 378.497 2.578 0 40 GFAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 5562751 AGHIUYILBYMDKV-SFHVURJKSA-N 393.395 2.507 0 40 GFAB biogenic Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 5539098 UNTBMRBQPORLSF-UHFFFAOYSA-N 394.383 2.852 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1 5688098 RRELGDCFVGPAGK-MRXNPFEDSA-N 399.516 2.861 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(SCc2ccc(OC)cc2)s1 5871757 HWCQKXWYGKRZGR-VIFPVBQESA-N 398.535 2.775 0 40 GFAB COc1ccc(CNC(=O)COC(=O)Cc2ccccc2Cl)cc1OC 7534271 WQVPNIMMXCRAQZ-UHFFFAOYSA-N 377.824 2.759 0 40 GFAB Oc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccnc12 19897737 ZEHRSSWILNWUQM-UHFFFAOYSA-N 377.444 2.987 0 40 GFAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7805810 NARNEVGOWTVGQB-OFZPYADDSA-N 388.514 2.906 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC2CCCC2)c1 9752326 AFQGSDXCBOPYGI-UHFFFAOYSA-N 379.526 2.600 0 40 GFAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022832 UUQZHCMBBAHGLL-CYBMUJFWSA-N 384.390 2.796 0 40 GFAB COc1ccc([C@@H](CO)N(C)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 83881706 CWEWMLWVUOLMPT-OAQYLSRUSA-N 398.507 2.644 0 40 GFAB O=S(=O)(Nc1ccc(Cc2nnn[nH]2)cc1)c1cccc(Cl)c1Cl 95420526 CLCMTWXRTMEOPU-UHFFFAOYSA-N 384.248 2.898 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc12 95980539 SXOBMZPREZUEDP-ZDUSSCGKSA-N 380.456 2.684 0 40 GFAB CCCN1CCN(C(=O)CSc2nc3ccc(Br)cc3[nH]2)CC1 20765400 ZKTLEWWVGLHDQY-UHFFFAOYSA-N 397.342 2.972 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)c1cccc(N3C(=O)CCC3=O)c1)OCO2 23995660 CILCOCAKCICKTQ-UHFFFAOYSA-N 380.356 2.524 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(OC(C)C)cc1 408708487 IPTINBLDPSMISJ-UHFFFAOYSA-N 397.475 2.867 0 40 GFAB Cc1cnc(OC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)nc1 655640790 FEWZKJKVCTUJIA-UHFFFAOYSA-N 375.494 2.942 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 67287642 CRHWGYLWLCWFJB-LJQANCHMSA-N 387.480 2.742 0 40 GFAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(F)cc3)n2)c1 124209907 YWECZQHUJGJBPG-UHFFFAOYSA-N 377.397 2.705 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408533229 QDLXGEJLHGVMJQ-UHFFFAOYSA-N 388.917 2.762 0 40 GFAB O=C(NC[C@H]1COCCN1)Nc1ccc(Cc2nc3ccccc3s2)cc1 528665824 GIVOWOGEWOLYOW-INIZCTEOSA-N 382.489 2.997 0 40 GFAB Cc1nccn1CCC1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 36753107 CZNSOHZHLVVJHI-UHFFFAOYSA-N 378.476 2.986 0 40 GFAB COc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1C(=O)O 33304191 FHUMCILULQNLJP-NVMNQCDNSA-N 377.194 2.920 0 40 GFAB CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)ncn1 72377624 QZHRJQBTOHWLQR-MRXNPFEDSA-N 376.468 2.827 0 40 GFAB C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)CCCO)[C@H]1C[C@H]1[C@]1(O)CC(=O)CC[C@]31C 77293668 BJGLEUDFODCURD-HOPUHREQSA-N 388.548 2.929 0 40 GFAB in-vitro Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223167522 FCCXBLSRWNGKAX-RTBURBONSA-N 386.521 2.678 0 40 GFAB C[C@@H]1CCCc2nc(S(=O)(=O)Nc3noc(Cc4ccc(F)cc4)n3)cn21 564062309 MTKFLIBMSPPTGK-LLVKDONJSA-N 391.428 2.694 0 40 GFAB CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(C)c1 224637940 UPZTUZSNPJKUQF-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB COc1ccccc1/C=C/C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792349 MBBQEIPRZXIVGB-ZHACJKMWSA-N 378.476 2.726 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2)NS(C)(=O)=O)cc1 225955616 HRPNERMRVZXKSB-MRXNPFEDSA-N 382.869 2.968 0 40 GFAB COC(=O)c1cc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1Cl 224901923 LNEYNLHAOSZTNH-UHFFFAOYSA-N 396.852 2.910 0 40 GFAB O=C(CCc1ccccc1)NC1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1 48367013 OLUNNNRPCBYBOI-UHFFFAOYSA-N 390.487 2.637 0 40 GFAB COc1ccccc1CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222459077 PODFOVXTTPBKRL-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 224997904 IOKIGZYJXNJHRJ-UHFFFAOYSA-N 389.477 2.537 0 40 GFAB O=C(C1CCC1)N1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 96145415 BCBYPJBWBPVJIL-SJLPKXTDSA-N 396.940 2.893 0 40 GFAB COc1cc(/C=C/C(=O)N2CCN(c3cnccn3)CC2)cc(Cl)c1OC 25833413 DVPDHQNYHVFDFO-ONEGZZNKSA-N 388.855 2.509 0 40 GFAB C[C@@]1(O)C[C@H](c2ccccc2)C[C@H](O)CCC[C@H]1CNC(=O)CCCC(=O)O 257342313 ZOCKQGOVBLBERC-VQQMMKBISA-N 391.508 2.834 0 40 GFAB CCn1ccc(C(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3COC)C2)n1 257319865 VUJFKLYIPPUHFJ-QFIPXVFZSA-N 398.507 2.608 0 40 GFAB CCN(CC)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 257231843 GIJKRHQIGYXMLE-KRWDZBQOSA-N 397.541 2.867 0 40 GFAB CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(F)cc(OC(F)F)c3)C2)CC1 603161566 OZDAGOUMQXSBNK-OAHLLOKOSA-N 386.418 2.671 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc1S(N)(=O)=O 644713764 BRPQKGPBHLVVGL-UHFFFAOYSA-N 384.461 2.697 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)Nc2cc(C3CCOCC3)[nH]n2)O1 669284990 ROJWOUBYCXXMNA-DNVCBOLYSA-N 384.480 2.532 0 40 GFAB CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(C(C)C)cc1)CC2 95588443 BXJNYBTXBRHAEU-UHFFFAOYSA-N 395.507 2.648 0 40 GFAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cn(C[C@H](O)c2ccco2)nn1 390827203 FOXTXYKKWQBVHK-ZDUSSCGKSA-N 382.298 2.756 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)cc1 575608692 ZWNGLGVGOMSOHC-CQSZACIVSA-N 395.868 2.535 0 40 GFAB CCCN1CCN(CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585183629 UEIVBXRJRRBYBJ-JOCHJYFZSA-N 393.531 2.813 0 40 GFAB CC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 585284224 VWDRGDOXPCPPSE-NRFANRHFSA-N 378.488 2.741 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153053 ADZSRQVZDWXMSO-NRFANRHFSA-N 383.423 2.567 0 40 GFAB O=C(c1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914016 UUAUMLUSWXDBSG-ZDUSSCGKSA-N 398.278 2.872 0 40 GFAB Cc1ccc2oc(=O)n(CC(=O)NC[C@@H](c3ccccc3F)N3CCCC3)c2c1 12200962 GAIMKZCCHOMHJL-IBGZPJMESA-N 397.450 2.995 0 40 GFAB CCOc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2NC(c3cccc(C)c3)=NN21 13123658 VZISQKSUAKNLMV-IBGZPJMESA-N 389.459 2.831 0 40 GFAB Cn1c(=O)c2[nH]c(CCCCCCCc3nc4ccccc4[nH]3)nc2n(C)c1=O 13284732 QXYKNXBGKOCMHF-UHFFFAOYSA-N 394.479 2.572 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC[C@@H](C(F)(F)F)C1 18233189 SNCFYVTVVGYONQ-CHWSQXEVSA-N 398.381 2.612 0 40 GFAB CCc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1 19522897 LMJBWPRPEXUWOP-HOTGVXAUSA-N 382.508 2.917 0 40 GFAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2ccncc2)C1 19696016 MWJAGCKCDNXWNK-JOCHJYFZSA-N 390.443 2.558 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cc(C)nc3onc(C)c23)N2CCOCC2)cc1 19715846 ZTRALJWSBFHKCI-LJQANCHMSA-N 394.475 2.951 0 40 GFAB COc1ccccc1[C@@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)OC 227681958 SWIIQFGDIQWLCJ-NQYLQCIDSA-N 395.521 2.698 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@H]1C)CC1(CCN(C)CC1)O2 19218529 ICLWSZZFLYMMMF-GOSISDBHSA-N 399.535 2.695 0 40 GFAB O=C(COC(=O)c1ccccc1NC(=O)C1CC1)c1ccc2c(c1)OCCO2 3178307 TZPUCPXZGWXHQC-UHFFFAOYSA-N 381.384 2.846 0 40 GFAB CN(C)c1cccc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c1 1888866724 ZSCOGGQQXYUEIX-HDICACEKSA-N 377.492 2.628 0 40 GFAB O=C1CNc2cccc(n2)CCCC2(CCN(Cc3ccncc3)CC2)CN1 2037978329 QJJPPGBWMFARKI-UHFFFAOYSA-N 379.508 2.623 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)OCc1ccccc1 4877880 XOHQVAFJIURBBB-UHFFFAOYSA-N 392.436 2.957 0 40 GFAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc21 9828237 YWGGLLOUVUKGGW-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB Cc1ccc(NC(=O)Cc2csc(NC(=O)[C@@H]3CCC(=O)N3)n2)cc1Cl 12422894 TUBIKHLEOCXQFT-ZDUSSCGKSA-N 392.868 2.503 0 40 GFAB Cc1cc(Br)cnc1N1CCC[C@@H](C(=O)N2CCSCC2)C1 2086861111 IUULITDWMSBJCH-CYBMUJFWSA-N 384.343 2.944 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 15497086 QUXCFUJJYYEKQE-SJORKVTESA-N 392.908 2.809 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)/N=c1/ccccn1Cc1ccccc1 102897882 XPBYIQGJURJOKA-FLFQWRMESA-N 387.439 2.779 0 40 GFAB Cc1cc(C)n2nc(CC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)nc2n1 40132174 OXBUMUNXTXWIGB-UHFFFAOYSA-N 387.447 2.597 0 40 GFAB CN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 30804677 RBBHZGRXBGWHJK-AZUAARDMSA-N 397.500 2.640 0 40 GFAB COc1cc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)cc(OC)c1C 31800381 GEEGAVZWNDOAHC-UHFFFAOYSA-N 381.479 2.607 0 40 GFAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H]1CCC(=O)NC1 51566781 KLCXLQPSVHLLAD-SNVBAGLBSA-N 379.409 2.787 0 40 GFAB CCOC(=O)c1c(C)oc2nc(CN3CCC[C@H](C(F)(F)F)C3)[nH]c(=O)c12 32751364 OPHQUPAXCHVNLO-JTQLQIEISA-N 387.358 2.776 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc12 102440423 GERHNIFCNHIUDG-HOTGVXAUSA-N 382.416 2.605 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N[C@H](C)c1ccccc1 32876639 MINKDSCWSAILED-IVZQSRNASA-N 377.444 2.863 0 40 GFAB O=C(NCCCn1ccnc1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 33431878 XBLOPDIFPBOZSL-HKWRFOASSA-N 392.434 3.000 0 40 GFAB COc1cc(S(=O)(=O)NCc2ccccc2)c(OC)cc1Br 1174328 GVNHYSQUBLQQLG-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccccc2F)c1 1353692 YOQYFKVUZQTHTF-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB CC(=O)N[C@H](CSc1cc(C)nc2ccc(Br)cc12)C(=O)O 2419941 LAJAYRAKHFWSGO-CYBMUJFWSA-N 383.267 2.987 0 40 GFAB C[C@@H]1CN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 3367329 JXFARLUWIWXFHC-HTQZYQBOSA-N 381.643 2.834 0 40 GFAB Cc1cc(NC(=O)CN2CCN(c3ccccn3)CC2)ccc1Br 4118660 PSVISFOBXPVRLK-UHFFFAOYSA-N 389.297 2.913 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)n2nc(CCCO)nc2N1 4151230 VSXLOYDAPKBHNN-LJQANCHMSA-N 390.447 2.526 0 40 GFAB CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 4328177 YKBDJVZWOWMTEQ-UHFFFAOYSA-N 394.478 2.635 0 40 GFAB CCOCCc1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 4436634 VKQFTQRDNFYARH-UHFFFAOYSA-N 398.872 2.990 0 40 GFAB COCCSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 4731716 CYPNPJMIVYFYSF-LBPRGKRZSA-N 392.506 2.577 0 40 GFAB CCOc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2)CC1 4908906 YXQKXDYQKXTSSQ-UHFFFAOYSA-N 381.476 2.918 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 5083811 ZNOVQINVEXRLQS-UHFFFAOYSA-N 398.469 2.963 0 40 GFAB CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OCC 6548614 HVRHTDBQQBUKLN-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CN1CCN(c2nc(C(F)(F)F)nc3c2cnn3Cc2ccccc2)CC1 6604318 CHUITHJZSBVHPM-UHFFFAOYSA-N 376.386 2.645 0 40 GFAB COc1ccc(CCNC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1OC 6719743 GFUJQGYFWXSGEJ-UHFFFAOYSA-N 389.477 2.717 0 40 GFAB CCOc1ccc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)n2C)cc1 7269157 XSERJWUVDFKSFR-UHFFFAOYSA-N 394.427 2.691 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CCOc1ccc(Br)cc1 7304140 QGAOGVJZIFCXAH-UHFFFAOYSA-N 389.271 2.753 0 40 GFAB CC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 7429480 ZZKDUQBYQUSGFT-MRXNPFEDSA-N 394.427 2.732 0 40 GFAB Cc1cc(C)cc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 8196478 PAXJRFKHSUQUAI-UHFFFAOYSA-N 391.489 2.782 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(O)c1 8241700 TXZKCUVLKQVECK-OAQYLSRUSA-N 381.432 2.582 0 40 GFAB Cc1csc2nc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc(=O)n12 8327271 XOKWPQLFLCBQRZ-UHFFFAOYSA-N 395.488 2.545 0 40 GFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc(Cl)c2c(c1)OCO2 8777240 XDCHPWUPTSSMOT-LJQANCHMSA-N 386.791 2.799 0 40 GFAB O=C(CCCc1ccccc1)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9121035 LGYISTMCHAMMBL-QGZVFWFLSA-N 382.416 2.880 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N(CC)CC)cc1 9238999 TWUJLCJLIUUOQZ-CVEARBPZSA-N 375.498 2.613 0 40 GFAB COC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326338 RZJSTQNQLBFTNR-LSDHHAIUSA-N 388.489 2.591 0 40 GFAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(CC(=O)NC(C)C)nc3c12 12182078 ANSDWIOVLQSTRO-UHFFFAOYSA-N 375.498 2.625 0 40 GFAB CCn1nc(C)c(CNC(=O)c2nc(Cc3c[nH]c4ccccc34)no2)c1C 12407883 IXPGBTHZIPBFDY-UHFFFAOYSA-N 378.436 2.905 0 40 GFAB COc1cc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccn1 12536314 OOJDPEMIVPTBSS-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB NC(=O)CCN(C(=O)CSc1ccccc1C(=O)O)c1ccc(F)cc1 12750817 WWESRDDXOFNPTQ-UHFFFAOYSA-N 376.409 2.525 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 12778298 RMBWSKANXAHMDF-MRXNPFEDSA-N 398.406 2.567 0 40 GFAB CC(C)n1ncc2cc(NC(=O)Cn3nc(-c4cccs4)oc3=O)cnc21 12817621 HFMAEFLYRJBSOX-UHFFFAOYSA-N 384.421 2.529 0 40 GFAB CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccccc1 12878690 BYVUIISHODGCRQ-AWEZNQCLSA-N 390.490 2.810 0 40 GFAB CCOCCc1c(O)nc(SCC(=O)Nc2ccc(C(C)C)cc2)[nH]c1=O 13957227 RTQFCPGHTFVXSL-UHFFFAOYSA-N 391.493 2.909 0 40 GFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 14163411 JVWPVXJXZYZQJA-GOSISDBHSA-N 381.476 2.646 0 40 GFAB C[C@H]1CN(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)C[C@@H](C)O1 14198130 UKVCYQGSADUMDJ-OKILXGFUSA-N 395.550 2.830 0 40 GFAB CN1CCN(C(=O)CCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 14901183 IGJUKVLFLQOAEN-UHFFFAOYSA-N 376.416 2.774 0 40 GFAB CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3cccc(C)c3)no2)cc1 15082015 CVMSOYBDHNUAGU-UHFFFAOYSA-N 394.431 2.604 0 40 GFAB CN(CC(=O)Nc1sccc1C(N)=O)Cc1ccccc1N1CCCCC1 15103789 ZOHDKOIMJUNRLV-UHFFFAOYSA-N 386.521 2.908 0 40 GFAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccncc1 16491318 BUUYQTFWWZHOHH-UHFFFAOYSA-N 387.505 2.721 0 40 GFAB CCOc1ccc(C(=O)COC(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 17081240 UNFLFPPNPDNPAE-VAWYXSNFSA-N 397.383 2.704 0 40 GFAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CC3CCCCC3)c3ncccc23)C1 19016516 LCFFSRJLTZBSGP-GOSISDBHSA-N 397.523 2.854 0 40 GFAB Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C)CC4)C2)cc1 19135911 SCTPXFWAHVPNQQ-FUHWJXTLSA-N 394.519 2.576 0 40 GFAB O=C(CCc1ccccc1)N1CCC[C@H](Cn2nnc(-c3ccncc3)n2)C1 19370805 TVALDARXNIVNMA-SFHVURJKSA-N 376.464 2.607 0 40 GFAB O=C(CCc1cccnc1)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19374830 MPHBIDFJECLLOQ-UHFFFAOYSA-N 379.460 2.634 0 40 GFAB CC(C)Oc1ccc(CN2CCc3c(O)nc(-c4cnccn4)nc3C2)cc1 19450680 KOGQZZBBUNWMHC-UHFFFAOYSA-N 377.448 2.985 0 40 GFAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2cnc(C)s2)cc(N(C)C)n1 19760121 KJNILPHVMLRUCQ-QGZVFWFLSA-N 388.541 2.623 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20109160 WKTOHUFELGLDRZ-ZDUSSCGKSA-N 396.896 2.992 0 40 GFAB CC1CCN(C2=NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3Cl)N2)CC1 20466885 AWPMWPMCLQUGEK-CQSZACIVSA-N 383.279 2.908 0 40 GFAB O[C@H](CSc1nc(-c2ccccc2)n[nH]1)CN1CCN(c2ccccc2)CC1 20528686 CYEZBGHFNJRYID-IBGZPJMESA-N 395.532 2.747 0 40 GFAB COc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc12 20715188 AFRQACJMOLKJAK-LBPRGKRZSA-N 395.415 2.705 0 40 GFAB COCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 22503048 KJZLIBYDJQTWQQ-UHFFFAOYSA-N 383.404 2.985 0 40 GFAB CCCN1CCN(C(=O)CSc2nnc(COc3ccc(C)cc3)o2)CC1 25854883 MHKFUCYIFWFWDY-UHFFFAOYSA-N 390.509 2.603 0 40 GFAB Cc1cccc(N2CCN(C(=O)N[C@@H](C)c3nnc4ccccn34)CC2)c1C 26276649 MKUINCSEUJPNOD-KRWDZBQOSA-N 378.480 2.939 0 40 GFAB COC(=O)c1cnc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)s1 32493990 YZRVTVPAAKQSOT-ZDUSSCGKSA-N 397.403 2.601 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)s1 32865089 UNTFQHFWKOXNPI-UHFFFAOYSA-N 392.424 2.947 0 40 GFAB COCCNC(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 40051558 OUNQWYUZSDJKGS-UHFFFAOYSA-N 394.471 2.925 0 40 GFAB O=C(Cc1cn2ccsc2n1)NCCCNc1ccc(C(F)(F)F)cn1 40108765 GKQRGMRZIIVHIB-UHFFFAOYSA-N 383.399 2.971 0 40 GFAB COCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 40129234 JAFZRJGTLWPDSO-UHFFFAOYSA-N 384.498 2.625 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 45480360 GGPNEFLPFXBTCE-NSHDSACASA-N 388.367 2.891 0 40 GFAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccccc1F 45970151 BHOHFJXRKMIIFV-UHFFFAOYSA-N 387.440 2.621 0 40 GFAB COc1cc(OC)c(N2C[C@@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1Cl 48231326 ZQPPUFWITRUTKE-OLZOCXBDSA-N 380.872 2.969 0 40 GFAB C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)OCO2 48304042 FMLKUJSWBBWMMX-CYBMUJFWSA-N 379.416 2.852 0 40 GFAB Cc1ccnn1-c1cccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1 48355164 ZCBYFPRWGUSZML-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-n2ccnc2)c(F)c1 54225147 YXOYXUASOGPVMF-UHFFFAOYSA-N 378.363 2.636 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1cccc2c1OCCO2 55952592 UOPRUWJONSXIJU-UHFFFAOYSA-N 387.457 2.749 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1CCN(CC(F)(F)F)C1 57995195 KBEHLFOPQVPXOI-DZGCQCFKSA-N 388.409 2.588 0 40 GFAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1 58007767 OVJROBMZMSOYRR-UYAOXDASSA-N 382.460 2.596 0 40 GFAB Cn1nc2c(c1NC(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)CCC2 58416636 LBSYQAPAAUVCGZ-UHFFFAOYSA-N 396.472 2.962 0 40 GFAB O=C(O)CCCCCNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 61720755 SIYFTYVJNCVBGZ-UHFFFAOYSA-N 393.443 2.825 0 40 GFAB CC(C)Cc1nnc(NC(=O)CN2CC(=O)Oc3ccc(Cl)cc32)s1 71285339 UEKAWCATKRJDIF-UHFFFAOYSA-N 380.857 2.754 0 40 GFAB O=C(NCCCN1CCCCCC1=O)NCc1ccnc(N2CCCCC2)c1 71798677 SGSYCJUMPIITAT-UHFFFAOYSA-N 387.528 2.664 0 40 GFAB O=C1N[C@@]2(COC3(CCN(C(=O)CCc4ccco4)CC3)C2)Nc2ccccc21 72325278 QPVIGJJYESMGIP-QFIPXVFZSA-N 395.459 2.546 0 40 GFAB Cn1nc(C2CCN(Cc3nc4ccccc4[nH]3)CC2)n(-c2ccccc2)c1=O 77152544 NDGSVCUSBACYBS-UHFFFAOYSA-N 388.475 2.827 0 40 GFAB O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)NCc1ccc(F)cc1 77190729 NWETWPLAAFEHFZ-UHFFFAOYSA-N 380.423 2.515 0 40 GFAB Cc1ccc(-c2csc3ncnc(N4CCN([C@@H](C)C(N)=O)CC4)c23)cc1 79048095 LJDPXHLWQIPXSS-AWEZNQCLSA-N 381.505 2.663 0 40 GFAB COc1ccc(C(=O)[C@@H]2CCCN2C(=O)c2cc(OC)c3c(c2)OCCO3)cc1 89438674 HQKQEZQDICZZOW-KRWDZBQOSA-N 397.427 2.963 0 40 GFAB CCc1nccn1CC1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 90560522 NOOMVBMAJMPYQU-UHFFFAOYSA-N 377.510 2.863 0 40 GFAB O=C(NCCCN1CCCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F 95418876 VSLTYDMVGDVADD-UHFFFAOYSA-N 377.838 2.916 0 40 GFAB O=C(CCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117861 NYZWQTJFCWFDOY-HNNXBMFYSA-N 397.866 2.925 0 40 GFAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2 100457102 PMSVJCFHGSMZLK-ROUUACIJSA-N 380.444 2.868 0 40 GFAB CC[C@@H](O)CN1CCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 106398233 HRZHWDASACOCGY-CYBMUJFWSA-N 385.386 2.595 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 142709815 RLUHHNNIXPYQED-ZDUSSCGKSA-N 392.477 2.591 0 40 GFAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 205786802 ZYTUYLNEMWNLJI-LFIBNONCSA-N 388.445 2.661 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 216186519 UYANZHDQSHMCQX-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218563884 ITJLHESTTAYOET-DYXWJJEUSA-N 387.501 2.697 0 40 GFAB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220639874 ORYDOJCSPVFYNZ-KRWDZBQOSA-N 392.477 2.887 0 40 GFAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 222640604 IPYJNKDBQYBSNH-UHFFFAOYSA-N 392.452 2.652 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223257635 HKEPTSGCHUWLBP-WOJBJXKFSA-N 392.532 2.801 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224381076 PJFXDHATSAXBDL-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225363647 RPIMWRDCGAYXGM-HNNXBMFYSA-N 377.462 2.836 0 40 GFAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1OC 225743600 VYJMVFFMAVIERG-UHFFFAOYSA-N 380.444 2.686 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(-c2cccnc2)nc1 225765422 FZMCLZDUCOGTBB-UHFFFAOYSA-N 385.427 2.560 0 40 GFAB COc1ccc(N(C)C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225949103 TVSZRVJGCLAKIK-QGZVFWFLSA-N 396.896 2.992 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247885924 WZPSSSSYOUVVBX-HNNXBMFYSA-N 378.494 2.695 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257328115 XEFRTJMWWXNHIX-NRFANRHFSA-N 380.488 2.585 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@](O)(c1ccoc1)c1ccco1 390826356 IYOSIFSGBMUAKO-KRWDZBQOSA-N 383.372 2.506 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1C 408556318 HPMVUKSGWAEEDT-UHFFFAOYSA-N 382.526 2.567 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)n[nH]1 575413886 MLEMVFIZQSGHNY-OAHLLOKOSA-N 393.447 2.786 0 40 GFAB O=C(O)[C@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@@H]1c1ccc(F)cc1F 585085631 JXJJHHXDZSEDCF-KGLIPLIRSA-N 391.399 2.543 0 40 GFAB O=C(NC1CC(F)(F)C1)C1=NO[C@]2(CCCN(CC3CC(F)(F)C3)C2)C1 585101205 NOJPWNCKMUTBBF-OAHLLOKOSA-N 377.382 2.557 0 40 GFAB Cc1cccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)n1 585102784 HUSLGIDTYIFMTC-INIZCTEOSA-N 379.451 2.533 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)s4)CC3)[C@H]2C1 585106304 QLGHHHKVLJHPLU-OIISXLGYSA-N 389.565 2.898 0 40 GFAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 585177426 PKZZWPBUIDKNGM-KRWDZBQOSA-N 385.449 2.669 0 40 GFAB COC1(c2nc(CC(F)(F)F)no2)CCN(Cc2cc3n(n2)CCCC3)CC1 649603076 YKZBOEPWZFIOFD-UHFFFAOYSA-N 399.417 2.845 0 40 GFAB Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)c1C 653327125 RASYJDOWHBSWBV-MSOLQXFVSA-N 387.457 2.750 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@H](c3ccc(C)cc3)[C@H]2C(=O)O)c1F 656159906 DQNSUFYHJFTEGE-KDOFPFPSSA-N 393.436 2.774 0 40 GFAB CCOc1ccc(-c2csc(NC(=O)c3nnn([C@H]4CCNC4)c3C)n2)cc1 662473498 LOSHEFGTJIPUHI-AWEZNQCLSA-N 398.492 2.895 0 40 GFAB O=C(Cc1ccsc1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615160063 XLRFFMXTSOUSDV-UHFFFAOYSA-N 388.464 2.854 0 40 GFAB Cc1ncncc1C(=O)N1CCC[C@H](Cc2ccc(-c3cnc(C)n3C)nc2)C1 1848353167 CXDARSXVLGIHGJ-GOSISDBHSA-N 390.491 2.984 0 40 GFAB CC(C)c1nnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)s1 1888890368 FDKIETADOUEGFK-GFCCVEGCSA-N 385.497 2.882 0 40 GFAB COC[C@H](C)NC(=O)CN1CCC(c2cccc(Nc3nccs3)n2)CC1 2037834817 SVJLMBIRFSFCDR-AWEZNQCLSA-N 389.525 2.612 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 800393 MNZARJVKWRTPGM-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OC(F)(F)C(F)F)c2)S1 2601852 PKYBVLZWEDVYJW-LLVKDONJSA-N 379.335 2.924 0 40 GFAB O=C(COC(=O)COc1ccc(C(=O)c2ccccc2)cc1)NCC(F)(F)F 2660774 CPPZJMJZUWDRJX-UHFFFAOYSA-N 395.333 2.518 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)C1CCCCC1 3261863 PKOICBUXLWYXTP-UHFFFAOYSA-N 382.844 2.527 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1Cl 3595865 WUVOAARHJGALDG-BBATYDOGSA-N 379.844 2.788 0 40 GFAB O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccccc3)CO[C@H]12 3841719 DJVRNHVURRYETQ-BSDSXHPESA-N 399.472 2.757 0 40 GFAB biogenic,in-vitro C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 4288782 QVHRNKZDOFBGRD-WAIKUNEKSA-N 391.471 2.908 0 40 GFAB COc1ccccc1NC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1 4742591 HDRBPOYZSLVCHI-UHFFFAOYSA-N 384.417 2.538 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 4976100 ZOCMJIRCKALZKW-HNNXBMFYSA-N 386.423 2.873 0 40 GFAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(OC)c2)cc1 5033892 SPAFUQMHKYUVRM-GFCCVEGCSA-N 385.449 2.799 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1 5075778 YYLALAHWESPCNH-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB CN1C(=O)C(=C2C[C@@H](c3ccccc3)Nc3ccccc3N2)C(=O)N(C)C1=O 5352119 DGJJWOLYBALOLW-INIZCTEOSA-N 376.416 2.960 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1=O 5797799 OVZDYBCEULMFSA-VFCRVFHLSA-N 387.480 2.642 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)ccc12 6627317 UKQHVNHKDLFSPC-LBPRGKRZSA-N 376.368 2.725 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6945376 YNNRXTREERKSNG-OAHLLOKOSA-N 382.526 2.981 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6946748 YNNRXTREERKSNG-HNNXBMFYSA-N 382.526 2.981 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1C 7070437 VOAAZPOHDRAHHP-INIZCTEOSA-N 377.466 2.700 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 7390505 LGNHFMZDHQZOSE-INIZCTEOSA-N 397.475 2.972 0 40 GFAB CCOc1ccc(OCCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 7986921 INUKDHXIJGRAIW-KRWDZBQOSA-N 388.489 2.947 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1Cl 8092076 NHZYKWQUHPFOQM-UHFFFAOYSA-N 375.874 2.893 0 40 GFAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1 8109903 ZLDIIEISVIIPPL-UHFFFAOYSA-N 378.881 2.795 0 40 GFAB COc1ccc2c(c1)CCc1cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)sc1-2 8395019 YDHSLQZPBOAFGG-IBGZPJMESA-N 391.514 2.829 0 40 GFAB CCn1nc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2c1=O 8806779 QBGATFOBPAMMAA-ZQIUZPCESA-N 385.464 2.657 0 40 GFAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(F)cc1 8974684 POEHVJKKULFRRA-DYESRHJHSA-N 395.390 2.697 0 40 GFAB COc1ccccc1NC(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9040662 KJRFGODSDUSIED-ZDUSSCGKSA-N 383.404 2.599 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2)c1 9449808 BJVIGLAHJLODFN-SFHVURJKSA-N 379.420 2.657 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(F)c3)n2)cc1 9844291 QYNYCBRHHGEEAD-UHFFFAOYSA-N 381.407 2.878 0 40 GFAB CCCCn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233469 OTZAHUNQQFHRBP-OAHLLOKOSA-N 379.464 2.867 0 40 GFAB NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 10635385 JZCJKERWFQCXEB-HOTGVXAUSA-N 378.881 2.548 0 40 GFAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(-n2cncn2)cc1 10759067 ODYGGHDMSQWDJG-OAHLLOKOSA-N 378.432 2.849 0 40 GFAB COc1ccc2c(C)c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)oc2c1 12143526 VUBPULUXTNEBHT-UHFFFAOYSA-N 383.448 2.922 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 12180653 CPJFEXYKFALZJF-UHFFFAOYSA-N 398.481 2.729 0 40 GFAB COc1ccc(O)c(C(=O)c2cc(S(C)(=O)=O)c3nc4ccccc4n3c2)c1 12531928 DPKNRJCHBLEQLD-UHFFFAOYSA-N 396.424 2.836 0 40 GFAB Cc1c(C(=O)NC[C@H](C(C)C)N2CCOCC2)[nH]c2c1C(=O)CC(C)(C)C2 12853862 WYGHSSILEPLLTI-MRXNPFEDSA-N 375.513 2.565 0 40 GFAB CCn1c(=O)n(CCC(=O)N(C)Cc2ccc(C(=O)OC)cc2)c2ccccc21 12867793 MXPUMKLTYGBSNV-UHFFFAOYSA-N 395.459 2.658 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CSc1ccc(C)c(C)c1 12890886 FEQMAMGMKANHOI-UHFFFAOYSA-N 392.546 2.761 0 40 GFAB O=C(Cc1nc(Cn2cnc3sccc3c2=O)cs1)NCc1ccccc1 12919637 IAGUMZCZHFLSJA-UHFFFAOYSA-N 396.497 2.822 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCCc2c(C(=O)NC(C)C)cccc21 12944509 GBOKIQYFYGTLPX-UHFFFAOYSA-N 377.466 2.571 0 40 GFAB O=C(Cc1ccccc1)NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12999667 RWZQRJMOSHAPBD-IBGZPJMESA-N 394.471 2.870 0 40 GFAB COc1ccc2c(C)c(CC(=O)NC3Cc4ccccc4C3)c(=O)oc2c1OC 13624409 DBTFNVPHJBPFHI-UHFFFAOYSA-N 393.439 2.945 0 40 GFAB Cc1cc(OCC(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)no1 14197485 GYAKEKJURULXPV-UHFFFAOYSA-N 382.401 2.571 0 40 GFAB NS(=O)(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1Cl 15976964 JEQCTXHUYMVYGP-UHFFFAOYSA-N 392.786 2.936 0 40 GFAB CC(C)CC(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19446622 XCUWINVMOXSHMP-GOSISDBHSA-N 386.471 2.955 0 40 GFAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 19527167 KXVMXQXPWOBIJM-OAQYLSRUSA-N 380.540 2.958 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 19661264 WUHGAMKQYVTDCI-UHFFFAOYSA-N 376.464 2.789 0 40 GFAB CNc1nc(C2CCN(C[C@H]3CC=CCC3)CC2)nc2c1CN(C(C)=O)CC2 19711060 MPRJYSVDCLCGQN-KRWDZBQOSA-N 383.540 2.959 0 40 GFAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 19718383 PQNRITACKQDJIP-MRXNPFEDSA-N 378.407 2.999 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20488300 YGLPTNVZAPMKGL-GOSISDBHSA-N 387.505 2.695 0 40 GFAB c1ccc(Cc2noc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 20599535 YXMYLVMRCHNYCW-UHFFFAOYSA-N 392.459 2.707 0 40 GFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C2CCCC2)cc1OC 20732821 IWRHUKKMKXYJEX-UHFFFAOYSA-N 383.448 2.838 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)c(C)c1 22659787 YCHISJMZUHMGIT-LJQANCHMSA-N 384.501 2.742 0 40 GFAB NC(=O)CSc1nnc(SCC(=O)N(C2=CCCCC2)C2CC2)s1 23290671 YBGFLAJTKOSKJM-UHFFFAOYSA-N 384.552 2.657 0 40 GFAB COc1cc(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc(OC)c1OC 24207577 BDVXZFQWBUERJZ-UHFFFAOYSA-N 397.431 2.512 0 40 GFAB O=C(CN1CCN(Cc2cccnc2)CC1)Nc1ccc(OC(F)(F)F)cc1 24843013 MNQHAPYLCXNMCO-UHFFFAOYSA-N 394.397 2.737 0 40 GFAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@@H](C)O1 25073860 WTCNRHDNGMRZKW-ZIAGYGMSSA-N 380.448 2.718 0 40 GFAB Cc1cc(N)nc(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)n1 30795294 ZZEJBTBMZCBVSS-UHFFFAOYSA-N 376.442 2.902 0 40 GFAB COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2cccnc2)C=C1C 30880522 DOUFMKWVCOCOFL-UFYCRDLUSA-N 387.524 2.819 0 40 GFAB biogenic,in-vitro CS(=O)(=O)N1CC[C@H](C(=O)NC2CCCCCCC2)Oc2ccccc21 30944135 CJBSJFSTNSUHMR-GOSISDBHSA-N 380.510 2.833 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32736618 CKSIXGCKWFYFGI-UHFFFAOYSA-N 397.456 2.736 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)NCc2ccc(-n3cccn3)nc2)c1 32802630 PIWKCVZEYTXTJF-UHFFFAOYSA-N 392.463 2.664 0 40 GFAB C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cc3)c2)NC(=O)NC1=O 32931471 ZYLBAWHZADSYAN-KRWDZBQOSA-N 388.221 2.756 0 40 GFAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 35307748 XCKFAYBKWGPSMG-UHFFFAOYSA-N 399.491 2.611 0 40 GFAB CCCCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc(C)c1C 36393610 GOLSKQYLEAQIFZ-UHFFFAOYSA-N 382.574 2.619 0 40 GFAB CCN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 39985471 IPPDQXWOXSWMMB-UHFFFAOYSA-N 390.505 2.639 0 40 GFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43726944 XNWFJPNYSLRIKF-MBDNFAEBSA-N 386.451 2.829 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1c(Cl)nc2ccccn12 47296483 UQJKXQIGKYNNAF-UHFFFAOYSA-N 384.867 2.750 0 40 GFAB CN1CCN([C@@H](CNC(=O)NCCc2ccc(F)cc2)c2cccs2)CC1 48362035 QUANXMRMYMZZCZ-SFHVURJKSA-N 390.528 2.718 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 57128381 IIFOGKQTMXRXSE-UHFFFAOYSA-N 379.420 2.646 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 57439396 SUNFLSVQVMYVIK-IBGZPJMESA-N 394.519 2.569 0 40 GFAB C[C@H]1CCCN(C(=O)CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 57525236 KZHKQRBMSYZKNJ-KRWDZBQOSA-N 393.553 2.922 0 40 GFAB Cn1cc(CCCNC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cn1 58326772 FZQSHSKVCWWWMG-UHFFFAOYSA-N 376.766 2.772 0 40 GFAB CCCc1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1C(=O)OCC 61718799 SBZTWDWAHQMVNY-UHFFFAOYSA-N 392.485 2.557 0 40 GFAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)Nc1ccc(F)c(F)c1 61969158 RIANHJSQEJYZSB-UHFFFAOYSA-N 375.360 2.645 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 65095692 PXOAKOGWESJWPD-INIZCTEOSA-N 383.839 2.892 0 40 GFAB O=C(Nc1cccc(Cl)n1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 72307882 MMTXASYQLALFET-CQSZACIVSA-N 379.869 2.917 0 40 GFAB Cc1c(C(=O)N[C@@H](C)C(C)(C)C)cc(Br)cc1S(N)(=O)=O 72310167 FJPDBJHTZXUOQZ-VIFPVBQESA-N 377.304 2.569 0 40 GFAB COc1cccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)c1 72348721 GTZKUPMGDRXBCQ-IBGZPJMESA-N 395.503 2.795 0 40 GFAB COc1cccc2c1OC[C@H](C(=O)NC(C)(C)c1cn(-c3ccccc3)nn1)C2 84370408 VSZKXNYDNPMUJR-MRXNPFEDSA-N 392.459 2.879 0 40 GFAB COC(=O)C1CCN(CCCNC(=O)CCc2ncc(-c3ccccc3)o2)CC1 95350357 YAXMBZLNMIWRQO-UHFFFAOYSA-N 399.491 2.666 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cn1 95395616 HARGCPLAJLARLR-UHFFFAOYSA-N 390.461 2.834 0 40 GFAB COc1ccc(CN2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C(C)=O)cc1 96050146 PWHPAHJULAFVRP-HSZRJFAPSA-N 393.487 2.535 0 40 GFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3cccs3)CC2)cc1 96376130 UAIZNRZXAJLISK-UHFFFAOYSA-N 379.503 2.764 0 40 GFAB COCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(OC)c1 101113736 JTTRRDUHWLUUFG-PTGBLXJZSA-N 382.420 2.508 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2 102396206 CVKSBGZUUOHPPP-OHNRDTAOSA-N 397.493 2.672 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218539406 XUSSLGPJXZAMDG-JENIJYKNSA-N 378.421 2.791 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223563457 BNRSPTAKWAAAHS-QWHCGFSZSA-N 384.324 2.870 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 223586873 QANSJXPKBCMETQ-RTBURBONSA-N 382.464 2.976 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223627363 GUKRGQBYTLJZSO-PMACEKPBSA-N 394.500 2.933 0 40 GFAB CCOc1cc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OC 223698922 MRZKAHXQGNKVQL-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB COCc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 223702613 WRNYTFYRNGAZDT-UHFFFAOYSA-N 376.478 2.855 0 40 GFAB CCc1ccc(OCCNS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 224344120 IUTHCBMCLKOCFI-UHFFFAOYSA-N 377.462 2.534 0 40 GFAB COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225095396 AMDHGDSPWBUNEV-UHFFFAOYSA-N 381.425 2.819 0 40 GFAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1 225555789 ZQCVBPGJBZEIIW-AWEZNQCLSA-N 382.342 2.775 0 40 GFAB COc1cccc(S(=O)(=O)N2C[C@@H](c3ncon3)[C@H](c3ccccc3)C2)c1 238859846 KLNSLCDGFPRJDD-ZWKOTPCHSA-N 385.445 2.650 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cncc(Br)c1 238900997 RMPJPKIZZNERTD-SFHVURJKSA-N 391.265 2.807 0 40 GFAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2c(C)noc2C)C3)cs1 248012845 GSTQYYTUYLKEBE-HNNXBMFYSA-N 377.466 2.647 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1C 408608727 RYZKXSUWJBPAHE-UHFFFAOYSA-N 390.461 2.722 0 40 GFAB CSc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 408625834 XEAWYJOZLBUYMI-UHFFFAOYSA-N 382.482 2.948 0 40 GFAB COc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccccc3)o2)cc1OC 408714409 QBILFAGZUIMYFK-UHFFFAOYSA-N 389.433 2.575 0 40 GFAB COCc1cccc2sc(NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)nc12 528968693 OLWPJZGWTHWWIP-OLZOCXBDSA-N 395.506 2.626 0 40 GFAB CC(=O)N1CCC(N(Cc2cn(C(C)(C)C)nn2)Cc2cncs2)CC1 569785087 XPPCIMHPZOUUSU-UHFFFAOYSA-N 376.530 2.503 0 40 GFAB CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1nnn(Cc2ccccc2F)c1C 570466097 YMMNERNSGIHPAN-CYBMUJFWSA-N 389.353 2.551 0 40 GFAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cnc4ccccn24)C3)n1 575402902 DLSJXXVOBQDMGS-SFHVURJKSA-N 392.459 2.628 0 40 GFAB O=C(c1cnc(N2CC[C@H](Oc3ccccc3)C2)c(Cl)c1)N1CCOCC1 578502309 LKHOVABFTKRNLU-KRWDZBQOSA-N 387.867 2.865 0 40 GFAB FC(F)[C@@H]1CN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CCO1 585080690 HRNZLNWNHLHELZ-KRWDZBQOSA-N 390.858 2.517 0 40 GFAB Cc1nc(CN2C[C@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@@H]3C2)cs1 585107579 HYFBRYJSSWIKEO-GJZGRUSLSA-N 377.460 2.863 0 40 GFAB O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(C(=O)O)nc2)c1 590439433 VSCVWDBXDZXGGB-UHFFFAOYSA-N 396.447 2.847 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N4CCS(=O)(=O)C[C@@H](C)C4)ccc32)c1 614018768 VRLZVYGGSGPBIB-INIZCTEOSA-N 397.500 2.841 0 40 GFAB O=C(O)c1cnn(CC(=O)N2CCC[C@@H]2c2ccccc2Br)c1 630298477 GDHPAEQKBCHIMC-CQSZACIVSA-N 378.226 2.708 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)N1CCC[C@@H](COc2ncccn2)C1 1888890613 KZKKJZWUOYPPPN-CQSZACIVSA-N 381.885 2.751 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1C 813955 ZUDHGJWSUCUQOW-UHFFFAOYSA-N 394.537 2.853 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)O 2122871 JXQBCWZYYPNBGQ-XLFHBGCDSA-N 395.839 2.921 0 40 GFAB biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 3555709 DKYPNBHOOOLBES-UHFFFAOYSA-N 397.294 2.881 0 40 GFAB CC(C)[C@@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4017381 AKFSMLYJKZHSPM-PWKSQPCKSA-N 375.424 2.988 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCC(C)C)cc2c1 4133047 NEEYVRCINGVISG-UHFFFAOYSA-N 391.537 2.642 0 40 GFAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccccc1F 4660654 VGZAUBZIIBYLLZ-UHFFFAOYSA-N 395.419 2.979 0 40 GFAB COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)cc(OC)c1OC 4700068 NQXQOGAQXBMBAA-UHFFFAOYSA-N 376.497 2.983 0 40 GFAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1 4902134 QYPFZZPMXYQZMY-UHFFFAOYSA-N 387.867 2.935 0 40 GFAB O=C(Cn1c(=O)c2ccccc2n2nncc12)Nc1cccc(C(F)(F)F)c1 5035260 KVXINKVOXWSIMK-UHFFFAOYSA-N 387.321 2.702 0 40 GFAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)c1 5409559 UIAVWQRSTFHAJD-UHFFFAOYSA-N 383.379 2.705 0 40 GFAB COc1ccccc1CN(C)C(=O)Cn1cnc2sc3c(c2c1=O)CCC3 6111683 WUQKDFXLPKUDOI-UHFFFAOYSA-N 383.473 2.614 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccc3c(c2)CCC3)C1=O 6610719 LPZPUWPOEXLYNF-OAQYLSRUSA-N 395.484 2.766 0 40 GFAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1 6679939 KHACBAVUQFWDLV-UHFFFAOYSA-N 375.269 2.719 0 40 GFAB COC(=O)c1c(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc(C)c1C 7390215 AJJNXJSAMYDYNL-UHFFFAOYSA-N 385.445 2.809 0 40 GFAB CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 7782697 RIPLJYMWEBNNGN-UHFFFAOYSA-N 375.446 2.671 0 40 GFAB CCOc1ccc(CN(CC)C(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 7988861 YAVYBTOJNGPFSY-UHFFFAOYSA-N 381.432 2.993 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC 8053174 IWCWJNGCJNWYNA-UHFFFAOYSA-N 394.840 2.739 0 40 GFAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)OCCCO3)nn1-c1ccccc1 8328914 PEQCCHBKICLWFU-UHFFFAOYSA-N 377.400 2.955 0 40 GFAB O=C(COc1ccc(Cl)cc1)OCc1cc(=O)n2nc(C3CC3)sc2n1 8605440 KOCVPRMGPGOPPC-UHFFFAOYSA-N 391.836 2.804 0 40 GFAB Cc1nc(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c(C(N)=O)c(C)c1C 8735195 BDTVUCAWSUXXFK-CYBMUJFWSA-N 375.498 2.575 0 40 GFAB Cc1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 9690053 OARDPLLNDZVFCO-INIZCTEOSA-N 395.459 2.596 0 40 GFAB COc1ccc(-c2cnc([S@](=O)CC(=O)Nc3ccc(F)cc3)n2C)cc1 9828757 KDWLROHVCMOHTI-MHZLTWQESA-N 387.436 2.981 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC3CC3)[C@H]2c2cccs2)cc1 10213090 TYRFPPBABONWMT-UZLBHIALSA-N 398.484 2.973 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)[nH]1 10475509 HZGMDRLGKQIUDY-UHFFFAOYSA-N 398.444 2.998 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCc2ccccc21 11557878 XZSWQQSMTBAYAX-UHFFFAOYSA-N 375.354 2.892 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O 11865977 FRBIXXLRUBAQBF-CQSZACIVSA-N 378.384 2.793 0 40 GFAB biogenic c1csc(-c2nc(NC[C@H]3COCCO3)ncc2-c2ccc3c(c2)OCO3)n1 12186440 NRUFNDQJJPISEN-ZDUSSCGKSA-N 398.444 2.823 0 40 GFAB Cc1c(CN2C[C@H](c3ccccc3)C3(CCCCC3)C2)c(=O)n(C)c(=O)n1C 12228087 FMTZDHHVGVTVMX-HXUWFJFHSA-N 381.520 2.942 0 40 GFAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCCc1ccc(Cl)cc1 12440716 UYKSBRVYTYQHBA-UHFFFAOYSA-N 397.880 3.000 0 40 GFAB C[C@H](OC(=O)CCCn1c(=O)oc2ccccc21)C(=O)N(C)c1ccccc1 12811047 XTXYQKSJANGJAF-HNNXBMFYSA-N 382.416 2.969 0 40 GFAB COC(=O)c1sc2nc(CSC3=N[C@@H]4CCCC[C@@H]4N3)[nH]c(=O)c2c1C 12851191 PWLSPFCZMXYGAF-AOOOYVTPSA-N 392.506 2.583 0 40 GFAB CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 12942700 NBOCNAFMKWXNLY-UHFFFAOYSA-N 399.466 2.550 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccccc3)CC2)cc1 14468020 FTSPRIDREPOCQB-UHFFFAOYSA-N 387.457 2.896 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)c1c[nH]c2ccccc12 15106123 KIORYDYJRVMWGP-UHFFFAOYSA-N 382.372 2.793 0 40 GFAB CCc1nn2c(CC(=O)OC)c(C(=O)OC)nnc2c1-c1ccc(Cl)cc1 15109362 GUFYPXFNUQMDIY-UHFFFAOYSA-N 388.811 2.509 0 40 GFAB C[C@H]1CN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C[C@@H](C)O1 16819066 YSBWQRIQXJWDDE-GASCZTMLSA-N 395.434 2.833 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19078776 YJCLPKUGIOVFLJ-IFXJQAMLSA-N 384.455 2.735 0 40 GFAB O=C([C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)C1)N1CCCCCC1 19402035 ZOZAXSIHVPYVJG-WOJBJXKFSA-N 398.551 2.939 0 40 GFAB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 19502123 GMHZTUATHNAEMF-RTBURBONSA-N 376.549 2.644 0 40 GFAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)cc2n1 19522369 ONRQXHFRGUSNQZ-RISCZKNCSA-N 382.386 2.805 0 40 GFAB COc1ccccc1CNC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1 20734674 KAHMQKVXMCERAY-UHFFFAOYSA-N 396.403 2.546 0 40 GFAB Cc1nc(COc2ccccc2C(=O)NCCc2nc3ccccc3[nH]2)no1 23630129 QLYCNVVZMPMMCU-UHFFFAOYSA-N 377.404 2.806 0 40 GFAB CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)N1CCCCC1 24756227 AVXPQSAGHXKZGD-UHFFFAOYSA-N 380.297 2.594 0 40 GFAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 24840592 RDOHWKHDPJWKJH-OAHLLOKOSA-N 376.478 2.869 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 25664178 KLUYNRZATSZJPH-OAQYLSRUSA-N 397.494 2.925 0 40 GFAB COc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)CC1 27936048 AJWJBCDDUMNCFX-UHFFFAOYSA-N 382.386 2.568 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc3ccccc23)CC1 29361158 DZAWFKNFSCULBJ-GOSISDBHSA-N 379.504 2.999 0 40 GFAB CN1CCN(C(=O)CCCn2c(=O)oc3ccccc32)[C@H](c2ccccc2)C1 30029535 GOADWKOFJWTAFS-IBGZPJMESA-N 379.460 2.890 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 30848801 LYSWJXAOCQVBLY-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)nc2O)cc1 32778623 FCHBYSYDQVSQFG-UHFFFAOYSA-N 398.444 2.992 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 38426918 MSDCPWKWEFJACT-UHFFFAOYSA-N 381.476 2.608 0 40 GFAB COC(=O)c1ccc(NCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c(C)c1 40051282 UXLCVRBZKNCWJK-UHFFFAOYSA-N 384.388 2.764 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)n1 40121577 LATWSMOKFYTGJN-SUMWQHHRSA-N 376.526 2.768 0 40 GFAB O=C(Nc1nnc(-c2ccccn2)s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 40145855 YZMGYEBEAOWYCJ-OAHLLOKOSA-N 393.472 2.630 0 40 GFAB C[C@@]12CSCC(=O)N1[C@H](C(=O)NCCSCc1cccs1)CS2 40150355 YOXUWRNZAQRACV-SWLSCSKDSA-N 388.605 2.505 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)NCc1cc(Br)cs1 48356119 ZOAQREDXEBHBRI-UHFFFAOYSA-N 397.294 2.956 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2CCSC2=O)C1 48373978 FLRKUFYSMTYWDT-IYBDPMFKSA-N 375.538 2.950 0 40 GFAB Cc1cccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c1 49008743 FOHQZDSHTFPDDQ-UHFFFAOYSA-N 391.456 2.989 0 40 GFAB CC1CCN(C(=O)C2CCN(CC(=O)N3CCc4ccccc4C3)CC2)CC1 52157630 DDGOIUIANCVGGF-UHFFFAOYSA-N 383.536 2.542 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc2c(s1)CCCCCC2 55375372 RTSFASXKPUUMES-UHFFFAOYSA-N 387.461 2.899 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)N[C@@H](C)c1ccccc1)O2 64988434 BMDVEIQHHAEJCY-HNAYVOBHSA-N 388.489 2.790 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c(N2CCCC2)n1 67256881 BCLKKXZOQVRJIC-UHFFFAOYSA-N 384.480 2.752 0 40 GFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccccc2Cl)c(=O)c1=O 67320216 CYDOHYIJPWNIHW-UHFFFAOYSA-N 387.798 2.739 0 40 GFAB CNC(=O)c1cccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 67391207 BJJWAZPGKOMXBU-GOSISDBHSA-N 389.402 2.608 0 40 GFAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 68935303 WKTDDJBYQUKGBK-PBHICJAKSA-N 376.453 2.732 0 40 GFAB O=S(=O)(NCC1CCN(c2nc3ccccc3s2)CC1)c1cccnc1 70923509 WBSCZHHZBKWVCO-UHFFFAOYSA-N 388.518 2.886 0 40 GFAB CC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1 72369596 FEYHHXASTUJDOL-INIZCTEOSA-N 385.512 2.529 0 40 GFAB Cn1nc(C2CCN(C(=O)NCc3ccccc3)CC2)n(-c2ccccc2)c1=O 77146608 RYXVTQGROWFUMP-UHFFFAOYSA-N 391.475 2.660 0 40 GFAB COCCn1cc(C(=O)NCCCc2nnc3ccccn23)c2ccccc21 79481875 NPIJAWDYVWAJSR-UHFFFAOYSA-N 377.448 2.693 0 40 GFAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 85332868 JFVOCWZGXLCLCR-WMLDXEAASA-N 376.453 2.684 0 40 GFAB CC(C)C[C@@H](CN(C)C(=O)c1ccnc(F)c1)NC(=O)c1ccnc(F)c1 95444979 FVSBEPYQGQKVDW-HNNXBMFYSA-N 376.407 2.672 0 40 GFAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCc1nc2ccccc2n1C 95478054 IISZDQTWZVGZEY-INIZCTEOSA-N 398.536 2.830 0 40 GFAB CCOc1ccc(-c2nc3s/c(=C/c4ccccc4OC)c(=O)n3n2)cc1 95951207 QPWAUZQRIOMNII-SFQUDFHCSA-N 379.441 2.773 0 40 GFAB Cc1c(C(=O)Nc2ccccc2N2CCC(O)CC2)cnn1-c1ccccn1 97702165 GWGUAWUVMLPPOQ-UHFFFAOYSA-N 377.448 2.789 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2ccco2)C3)cc1 100127855 ZTKSGEIIQNZLLL-ROUUACIJSA-N 383.448 2.691 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2s1 101616156 SHJCPSSUUXMZIY-GMXVVIOVSA-N 377.491 2.610 0 40 GFAB CCc1c(C)nc2n(c1=O)[C@@H](c1cccnc1)N=C(Nc1ccc(OC)cc1)N2 101981763 HSOMLZDZVYNUFH-SFHVURJKSA-N 390.447 2.958 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1ncc(-c2ccccc2)o1 102129391 NWYNHKJQIOUBNQ-HZPDHXFCSA-N 380.400 2.726 0 40 GFAB CC(C)Oc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 220111983 ZSFKAFYOUAIJRI-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB COc1ccc(CCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222459232 QWGQFRWXSBWNLR-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB O=C(NCCCN1CCCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 224380151 OBOKEUVLZHYWGU-UHFFFAOYSA-N 393.553 2.613 0 40 GFAB O=S(=O)(NCc1ccnc(-c2cccnc2)c1)c1ccc(-n2cccn2)cc1 225641747 MNRWLEABKYGOAP-UHFFFAOYSA-N 391.456 2.808 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(c2cccnc2)CC1 225656787 OOUFFHAXIAJVTF-UHFFFAOYSA-N 384.505 2.775 0 40 GFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](OC)c2ccc(Cl)s2)cc1 225708494 BVWUDOICABGZFY-GFCCVEGCSA-N 396.852 2.631 0 40 GFAB O=S(=O)(c1ccccc1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238957157 YBTZKLYNJCFXDH-ZDUSSCGKSA-N 383.267 2.686 0 40 GFAB C[C@@H]1[C@@H](CN2CN=C(NS(=O)(=O)c3ccc(Cl)cc3)NC2)CCC[C@H]1C 247902747 ZPGJLPMCWHFEBI-QLFBSQMISA-N 398.960 2.867 0 40 GFAB COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c(OC)cc1Cl 408594821 QVLCDTKGEMBZJD-NSHDSACASA-N 398.868 2.663 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 408601047 DVOCHTDFBYGDOD-GFCCVEGCSA-N 380.491 2.723 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408636910 VYADKQNWLRYICN-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB O=C(COC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc(F)cc1 409003937 VZWAGSQQTPSZDI-KRWDZBQOSA-N 399.374 2.879 0 40 GFAB NC[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 580190656 FZXPMWWTGQPITO-NEWSRXKRSA-N 379.504 2.936 0 40 GFAB CNC(=O)c1cccnc1N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 585083510 YTCCGKYHCRCIIC-OAHLLOKOSA-N 381.354 2.918 0 40 GFAB Cc1cc(O[C@@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)nc(C)n1 585147480 SQTYBTPGVWTSLD-GOSISDBHSA-N 377.448 2.881 0 40 GFAB CC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 585284692 ZAAOSVBDEFTKMS-OAQYLSRUSA-N 378.488 2.823 0 40 GFAB Cc1ccc(C2(C(=O)N3CCC[C@@H](c4nnc(O)o4)C3)CCOCC2)cc1C 614387291 AFKVQMFLYDEPEM-MRXNPFEDSA-N 385.464 2.846 0 40 GFAB C[C@@H](CC(=O)O)N1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 630221340 XXXUUVIVHPPVOB-WRSAYESZSA-N 398.862 2.564 0 40 GFAB O=C(NCc1nc2ncccn2n1)N1CCC(c2cccc3[nH]ccc23)CC1 1554075908 RDZXJYLAMJTUFD-UHFFFAOYSA-N 375.436 2.695 0 40 GFAB COc1nccnc1N(C)CC1CCN(C(=O)c2sc(C)nc2C)CC1 1775973926 QSQWJUQUFKDSMO-UHFFFAOYSA-N 375.498 2.547 0 40 GFAB Cn1nccc1-c1ccc(CNS(=O)(=O)c2ccccc2Br)o1 1888930443 IPBUXIWRUOLVIQ-UHFFFAOYSA-N 396.266 2.921 0 40 GFAB COc1ccc(C)cc1NS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 1926332 ABDPVEBEGYILQF-UHFFFAOYSA-N 396.424 2.841 0 40 GFAB COc1cc(CC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1OC 3317340 ZJQBYVXXDGLUSM-CQSZACIVSA-N 399.443 2.776 0 40 GFAB COc1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c(OC)c1OC 3544651 SAZBWWBNXZKNCU-CYBMUJFWSA-N 385.416 2.847 0 40 GFAB CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3C[C@@]21O 4046756 AQWWGXGRAWGACC-ZAWDRSOMSA-N 377.481 2.647 0 40 GFAB biogenic COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 4512505 RFIOQJMASPDAIK-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CC(C)(C)NC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 4554092 KJPNAORGUSYURE-HNNXBMFYSA-N 385.505 2.857 0 40 GFAB COc1ccc2c(c1)[C@H]1NC(=S)N(c3ccccc3)[C@@](C)(O2)[C@H]1C(=O)N(C)C 4598604 MTQHCJGIUKKEKL-OPYAIIAOSA-N 397.500 2.944 0 40 GFAB COCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 5125608 NSVJSHVVINUJSP-HKWRFOASSA-N 382.460 2.927 0 40 GFAB biogenic O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccc1 5398027 CCECMQUDWHZXDI-UHFFFAOYSA-N 398.260 2.989 0 40 GFAB Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccncc1 5473877 LYBMLACDQHHSEC-KRWDZBQOSA-N 395.488 2.569 0 40 GFAB CCCNC(=O)NC(=O)COC(=O)CSc1cccc(C(F)(F)F)c1 6083791 JHUOAYNRYKDPLC-UHFFFAOYSA-N 378.372 2.577 0 40 GFAB Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCCO4)c(=O)c2c1C 6583439 QGWHQIXQJSREHR-UHFFFAOYSA-N 385.445 2.875 0 40 GFAB O=C(NCc1ccccc1)c1cc2c(=O)n(Cc3ccccc3)ccc2[nH]c1=O 6667961 ANGQSJRGDOLZLJ-UHFFFAOYSA-N 385.423 2.668 0 40 GFAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)c1ccccc1 6824134 LZVRWSHDQFBDRO-OAHLLOKOSA-N 387.457 2.899 0 40 GFAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1 7560901 WLXHBPIYNUUMQU-JOCHJYFZSA-N 394.427 2.768 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ncc(Cc2ccccc2)s1 8231723 GAEXIQKTCIRUGK-UHFFFAOYSA-N 398.488 2.927 0 40 GFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)s1 8474667 PIMABGFPDYFATD-UHFFFAOYSA-N 396.856 2.709 0 40 GFAB COCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O 8613923 OUXZPRZNXZWDSY-UHFFFAOYSA-N 377.444 2.881 0 40 GFAB COc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Br 8715005 ZSWVJIFHGFSXLC-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9036661 CQUPNFBJSVDSPF-CYBMUJFWSA-N 394.880 2.680 0 40 GFAB COc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)cc1 9418803 GDRRTBIRGCVQCP-LJQANCHMSA-N 387.461 2.764 0 40 GFAB CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 10130971 YUFPBNXVYWGKRH-JTQLQIEISA-N 380.828 2.960 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)c(C)c1 11693680 JWYKYPKGQXIVOK-UHFFFAOYSA-N 375.494 2.540 0 40 GFAB Cc1ccccc1N1CCN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 12523315 FYZKUFJWVAIGBN-UHFFFAOYSA-N 380.492 2.564 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1 12576833 MUEIWBGCDKKSHK-HXUWFJFHSA-N 394.450 2.812 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12680976 BZKXFWQVZAFDQX-STQMWFEESA-N 376.840 2.937 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1Cl 12748982 CWQNUUHMVNIFTL-JTQLQIEISA-N 386.832 2.793 0 40 GFAB CCc1ccc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 12913670 FUDCFEGEOQMQDS-GOSISDBHSA-N 389.521 2.694 0 40 GFAB COc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cc2c1OCCO2 13257752 MIVPUKFUPLFFFO-CQSZACIVSA-N 375.352 2.551 0 40 GFAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Nc1cccc(Cl)c1)O[C@@H]1OC(C)(C)O[C@H]21 13369762 ILXDDQNPLLGHNZ-WZYWGQKZSA-N 383.828 2.675 0 40 GFAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)CC(C)C)c3)cc(=O)n2o1 15772244 AEERUCCWNYRPPO-UHFFFAOYSA-N 383.404 2.938 0 40 GFAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCc2ccccc2C1 16201934 IOXHCGPTSBZSEB-UHFFFAOYSA-N 397.434 2.878 0 40 GFAB Cc1ccc(-c2csc3ncnc(N4CCN(S(C)(=O)=O)CC4)c23)cc1 16738355 TZQWFXVXMASYSI-UHFFFAOYSA-N 388.518 2.748 0 40 GFAB CCn1cc([C@H](O)CN2CCC(O)(Cn3ccnc3C)CC2)c2ccccc21 19524754 IDOHZAMKJIGAGX-OAQYLSRUSA-N 382.508 2.727 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)n1 19698330 UNBAHOUGOQGNQJ-FQEVSTJZSA-N 399.564 2.813 0 40 GFAB COc1ccc(-c2[nH]ncc2CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 19717151 FZWIGAWOAAEOHM-UHFFFAOYSA-N 392.459 2.852 0 40 GFAB CC(=O)c1cccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 20111111 IATRXBXKGKOFLE-CYBMUJFWSA-N 392.452 2.672 0 40 GFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl 20723393 KYPHERRNSLOWRX-BJOHPYRUSA-N 397.262 2.935 0 40 GFAB Cn1cccc1[C@H](CNC(=O)Cc1cccc2ccccc12)N1CCOCC1 21152407 PZHQXILTBOQAAE-QFIPXVFZSA-N 377.488 2.911 0 40 GFAB CC(C)N(C(=O)[C@@H](C)OC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(C)C 21620456 GTEUKHQCVYJVER-CQSZACIVSA-N 399.447 2.720 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCOCC2)sc2c1CC[C@H](C)C2 21822433 XUNRZMFDJQJKMI-QWHCGFSZSA-N 380.510 2.709 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@H](O)CNC[C@@H](c1ccccc1)N(C)C 22794381 ZRLNCRBQGNJIRM-UXHICEINSA-N 386.492 2.530 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2C(=O)C1=NN(c2ccccc2)C(=O)CC1 25179982 AAPUQEMAHSITIF-UHFFFAOYSA-N 377.400 2.545 0 40 GFAB CN(C)C(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 26549289 IRAGHXOEEPVFGS-UHFFFAOYSA-N 388.489 2.833 0 40 GFAB COc1cc(C)c(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1OC 27556107 AMZGVYWAAPLHML-CYBMUJFWSA-N 376.478 2.611 0 40 GFAB O=C(c1ccccc1)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 30773025 LOTCEXFJLSOHDG-UHFFFAOYSA-N 399.516 2.965 0 40 GFAB CCn1cc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)n2CC)cn1 32610302 UFICLZFPPCJMMM-UHFFFAOYSA-N 384.509 2.898 0 40 GFAB O=C(NC1CCCC1)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 35876747 AMLALXPVGJLMPH-MYKUNDNFSA-N 383.536 2.682 0 40 GFAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1OC 36171552 FMLOWMFGRDFDBZ-UHFFFAOYSA-N 396.487 2.915 0 40 GFAB Cn1c(C(=O)O)c([C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)c2ccccc21 36360300 JJWYJNZMOAMZHJ-FQEVSTJZSA-N 393.443 2.824 0 40 GFAB C[C@H]1CN(c2ccc(CNC(=O)Cc3noc4ccccc34)cn2)C[C@H](C)O1 40106837 MJIQTKYDJHBXIS-GJZGRUSLSA-N 380.448 2.695 0 40 GFAB CCOC(=O)c1cc(C)n(CC(=O)Nc2cccc(Cn3cncn3)c2)c1C 40146949 YGFUYHWTXLHKRA-UHFFFAOYSA-N 381.436 2.560 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 40161988 MVGCLMAXJBNUTR-QAPCUYQASA-N 385.439 2.725 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 40389056 MWJHGOWEDZWSTH-ZFWWWQNUSA-N 395.463 2.522 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2cnco2)c1 48205333 MKFGBKBZHYTATM-UHFFFAOYSA-N 382.420 2.925 0 40 GFAB Cc1ccc(-n2c(SCC(=O)Nc3nc(C)no3)nnc2N2CCCC2)cc1 48369108 CKVSDPMKFPVHIO-UHFFFAOYSA-N 399.480 2.598 0 40 GFAB O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)Nc1ccc2c(c1)OCCO2 49026252 FAIBWHQYRHCYLS-UHFFFAOYSA-N 387.823 2.992 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 52527873 YRSMLZDYCHYXHJ-SFHVURJKSA-N 378.432 2.729 0 40 GFAB COc1cc(S(=O)(=O)N(C)c2cccc(C)c2C)cc(C(=O)O)c1OC 55675503 RJECRRYZTHLCMB-UHFFFAOYSA-N 379.434 2.844 0 40 GFAB O=C(NCc1cccc(N2CCOC2=O)c1)N1CCO[C@H](c2ccccc2)C1 57871013 HFLJNGFFWXBFSA-IBGZPJMESA-N 381.432 2.926 0 40 GFAB Cc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c(C)n1-c1cccnc1 58157481 GAPOEBWIJQKBAW-UHFFFAOYSA-N 389.411 2.942 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 58611854 JPOLYQIKLHYZIB-UHFFFAOYSA-N 389.452 2.803 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1 63764478 SKBYFFKROZNVAQ-UHFFFAOYSA-N 375.471 2.722 0 40 GFAB NC(=O)[C@H](CNC(=O)C1=Cc2cc(Cl)ccc2OC1)Cc1ccc(F)cc1 67685281 JUNDJWPEMLDSDU-AWEZNQCLSA-N 388.826 2.715 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640220 ASCORZHFAYJBKP-OAHLLOKOSA-N 396.365 2.811 0 40 GFAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc(=O)c2ccccc2o1 70762365 MGQSYGVFECGROT-SFHVURJKSA-N 377.318 2.973 0 40 GFAB CS(=O)(=O)NCCc1ccc(-c2csc(N3CCSCC3)n2)s1 72078647 QSGVAFZPFLMQBD-UHFFFAOYSA-N 389.593 2.517 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 72284248 BZQMALMFBMZXDC-IAQYHMDHSA-N 386.851 2.808 0 40 GFAB Cc1nccc(-c2ccc(-c3noc(CN4CCC5(CC4)OCCO5)n3)cc2)n1 72339986 NJXNLUVFIURLER-UHFFFAOYSA-N 393.447 2.841 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Cc3ccccc3F)cc(C)n2)C1 72354072 JDFPJPKMDFOUTB-LJQANCHMSA-N 383.467 2.962 0 40 GFAB COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)Cn2cccn2)C1 72363086 CKOUZHINPXTXOB-MRXNPFEDSA-N 393.447 2.880 0 40 GFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 95458410 ZQTIFFGHIGDMNJ-IAGOWNOFSA-N 399.499 2.749 0 40 GFAB Cc1[nH]cc(C(=O)Nc2cccc(Cn3cccn3)c2)c(=O)c1Br 95966683 JEGMPCNMLCXGLP-UHFFFAOYSA-N 387.237 2.943 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3c[nH]nc3-c3c(F)cccc3F)nc2)CC1 95970867 XQXDKGOEHLNHMD-UHFFFAOYSA-N 398.417 2.754 0 40 GFAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 96025395 NPRJRXMCSUGKEG-SZEUEKNRSA-N 377.487 2.535 0 40 GFAB COc1cc(=O)n(CC(=O)N2CCC[C@@H](C)C2)nc1-c1ccc(Cl)cc1 96100867 BVVZAPGGRMIMDP-CYBMUJFWSA-N 375.856 2.831 0 40 GFAB COc1cc2ncn(CC(=O)Nc3cccc4c3ccn4C)c(=O)c2cc1OC 96115914 WZSUZTLTBIBHKQ-UHFFFAOYSA-N 392.415 2.544 0 40 GFAB biogenic COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)cc1 96120168 NJANVBAQRNPOFX-KRWDZBQOSA-N 376.434 2.627 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)Nc1cccc(F)c1)C2 96237800 REPRHXNBIJKEPA-NRFANRHFSA-N 382.439 2.781 0 40 GFAB C[C@H](N[C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)c1nnc2n1CCCC2 97162458 MPJJUHGQDOUXGF-PMPSAXMXSA-N 393.532 2.680 0 40 GFAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2nc(Cl)nc(NCc3ccco3)n2)C1 100625033 HHWFEUZQCJPBKX-CHWSQXEVSA-N 398.854 2.516 0 40 GFAB CCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(OC)c3)[C@H]2C1=O 101128991 NYPLHDDUBFFRLX-QYZOEREBSA-N 382.416 2.657 0 40 GFAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCO)c(=N)c32)cc1 101153820 CWTCVTRGYVNVBJ-SFHVURJKSA-N 379.416 2.745 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCc1ccc(OC(F)F)cc1 102905378 DUZSJHFMVILNFG-HZPDHXFCSA-N 394.418 2.512 0 40 GFAB Cc1sc2nc(CS[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c(=O)c2c1C 195529270 ZVGOGACQKDCXAV-OUJBWJOFSA-N 395.550 2.859 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 223621112 PNSJCMNHZIHGIO-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccccc2Cl)cc1 224343350 FGMOEUOSJWZVRW-UHFFFAOYSA-N 383.853 2.625 0 40 GFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2cccs2)c(C)c1 225141809 IOJMWSOJTHZEHW-UHFFFAOYSA-N 397.474 2.602 0 40 GFAB CSc1ncccc1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 225763543 MZINNPGUTHYRDS-UHFFFAOYSA-N 382.474 2.900 0 40 GFAB CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCc3ccccc3C2)n1 225881689 CFUYZBQJLVWKGM-UHFFFAOYSA-N 382.537 2.946 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cc(C)cc(C)c2)NS(C)(=O)=O)cc1 225955361 OITHPQDBKFQKSD-GOSISDBHSA-N 376.478 2.931 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3cnn(C)c3)CC2)ncn1 257210085 BTCGNIHNLHLULT-UHFFFAOYSA-N 380.452 2.577 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)c2ccnnc2)n1 257279876 OINGSYKCAJVNNK-QGZVFWFLSA-N 378.436 2.776 0 40 GFAB CCCC[C@H](CC)CNC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 260844160 GAELDFHBPUGZOT-MAUKXSAKSA-N 382.526 2.936 0 40 GFAB Cn1cc(CN2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306135688 OXVGPEIAVGLFOT-VQIMIIECSA-N 385.514 2.904 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408532949 OQFKMSOUPXTJGX-CYBMUJFWSA-N 388.917 2.808 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1OCC 408701341 WLFGSIVCCKXTCB-UHFFFAOYSA-N 388.489 2.582 0 40 GFAB Cc1c(NC(=O)c2ccc3c(c2)CCC(=O)N3)cccc1N1C(=O)CCNC1=O 501783767 ZZOIGGVUXRGRHT-UHFFFAOYSA-N 392.415 2.578 0 40 GFAB CC(C)CCn1nc(CNC(=O)N[C@@H]2CCc3c(nnn3C)C2)c2ccccc21 585090998 KTIFEEHCLLTZIE-OAHLLOKOSA-N 395.511 2.568 0 40 GFAB COc1ccc(F)cc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159191 OOVVBEAIOWPEEU-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB CCn1cc(C(=O)N(C)CCN(C)c2cc(C)nc(-c3ccccn3)n2)c(C)n1 1615612475 ZBKPSCWCPZYZBT-UHFFFAOYSA-N 393.495 2.580 0 40 GFAB Cn1cncc1C(=O)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775971877 WHQTVARNKJMZGF-UHFFFAOYSA-N 377.448 2.808 0 40 GFAB COc1ccc(-c2ncnc(N3CC(N(C)C(=O)c4ccccn4)C3)c2F)cc1 1775974197 DDBQLFKNUAYOLP-UHFFFAOYSA-N 393.422 2.647 0 40 GFAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)c3cccs3)CC2)c1 2055750795 YSQXXXNPUZUALA-UHFFFAOYSA-N 387.505 2.932 0 40 GFAB COCC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1 2055785091 CPYRGIWXIVGYLH-UHFFFAOYSA-N 379.869 2.622 0 40 GFAB CCS(=O)(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(C)o2)CC1 2056226135 LHOYXNAMVPCSTM-QGZVFWFLSA-N 382.526 2.953 0 40 GFAB O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324736 WULIVKNILNZPAD-INIZCTEOSA-N 378.425 2.535 0 40 GFAB CCNc1nc(NCC)nc(-n2cc(C(=O)c3cc(Cl)ccc3O)cn2)n1 3285104 SNXUZWCUIFQMNM-UHFFFAOYSA-N 387.831 2.511 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 3378157 RCWZRZLHFZIWPF-VZUCSPMQSA-N 398.415 2.857 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3416770 RVHRGTMFKWTJIM-MRXNPFEDSA-N 379.460 2.643 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)[C@H](C)Oc3ccccc3)cc12 4032808 VCSCFJZIATUABX-AWEZNQCLSA-N 396.443 2.672 0 40 GFAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccc(Cl)cc1 4303692 XINPLTKQOKCZLO-JAAXMTQOSA-N 383.828 2.675 0 40 GFAB CCOC(=O)c1sc(NC(=O)CSc2nc3cccnc3n2C)nc1C 4853194 YOEBFXDQINHDRL-UHFFFAOYSA-N 391.478 2.641 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1 4895591 PWGZBVQBYQBHJJ-UHFFFAOYSA-N 387.867 2.887 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccnc1 5241951 CNCYLFLBOASIDF-UHFFFAOYSA-N 378.820 2.577 0 40 GFAB O=C([C@@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCOCC1 5277818 NUFGYRCSXZSCFU-SFHVURJKSA-N 380.473 2.960 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1 6381193 ZKFLMTXGYHOUDI-XBXARRHUSA-N 384.384 2.914 0 40 GFAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 6453786 YBKCUSNOUZEDMB-UHFFFAOYSA-N 389.429 2.984 0 40 GFAB C[C@@H](C(=O)N1N=CC[C@@]1(O)C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1 6850492 YBTXKHPJACKOSE-JVXZTZIISA-N 384.280 2.809 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6921131 NJWKRIIOCMNGGE-LHLIQPBNSA-N 392.687 2.894 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(C)c1 7604546 QNPRPBPCPRFVCF-UHFFFAOYSA-N 398.431 2.979 0 40 GFAB CC(C)NC(=O)CN(C)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S 8184220 VWEBOVIWKIHGBJ-UHFFFAOYSA-N 377.489 2.969 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@H](Cc1ccccc1)c1ccccc1 8345435 SIRHNSLVOPTXAA-OAQYLSRUSA-N 399.450 2.790 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nccs2)CC1 8735158 SHCSRHBFNQYCRK-UHFFFAOYSA-N 393.412 2.553 0 40 GFAB CC(C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)NC1=S 8742695 OWICDEKJFINHEP-KDOFPFPSSA-N 377.897 2.503 0 40 GFAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cccc2ccccc12 8774457 PCZIKEVRKVJARR-UHFFFAOYSA-N 385.423 2.850 0 40 GFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(OC)cc3OC)n2)cc1 8917580 PLISTXUAVQFTQP-UHFFFAOYSA-N 395.415 2.901 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl 8985258 SCCLSWDBNXUQDV-UHFFFAOYSA-N 394.880 2.729 0 40 GFAB CCOC(=O)CCC(=O)NC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1 9101126 DMEXVAXCPNSBME-NSHDSACASA-N 389.235 2.778 0 40 GFAB CCOc1ccc(SCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 9498421 UETJQWSSNYMITA-ZDUSSCGKSA-N 394.518 2.702 0 40 GFAB Cc1cccn2cc(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)nc12 10388517 ARMDXOUOIKVZTJ-UHFFFAOYSA-N 399.472 2.784 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@@H]1c1cccs1 10391647 CWVMNGUAWGORPZ-CQSZACIVSA-N 392.458 2.838 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2ccccc2c1=O 11519312 IQICHBAYJJPBLA-UHFFFAOYSA-N 378.816 2.634 0 40 GFAB Cc1sc2nc(C)n(C3CCN(C(=O)[C@H]4CCCO4)CC3)c(=O)c2c1C 12145423 BRFIVGUUIZZPDF-OAHLLOKOSA-N 375.494 2.726 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)nc4ncccc34)C2)cc1 12254037 DKOITHUIUDKBHY-OAHLLOKOSA-N 398.488 2.910 0 40 GFAB CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3ccc(C)cc3)no2)cc1 12411720 PFTAHEDGJPHNFT-UHFFFAOYSA-N 394.431 2.604 0 40 GFAB NS(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Cl 12606530 MXYFNSGPUMJPOD-UHFFFAOYSA-N 391.880 2.762 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 12608702 LGBWNLLGNYNRHJ-UHFFFAOYSA-N 388.489 2.547 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 12644802 YBYAKEMUBNDXCE-IYBDPMFKSA-N 382.460 2.902 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCn1cnc2ccccc2c1=O 12894995 WINWDDYQTWNYJT-UHFFFAOYSA-N 398.850 2.537 0 40 GFAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12914414 CDINYWUDMCEFBC-JXFKEZNVSA-N 394.427 2.911 0 40 GFAB CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14196829 HLODMDNDNBSOFC-UHFFFAOYSA-N 383.857 2.530 0 40 GFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 14227991 UKFOUMQDTCRQNA-HNNXBMFYSA-N 390.439 2.932 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc(C(=O)OC)c1 14397083 RUHDTYBQTZJMBE-LLVKDONJSA-N 375.352 2.805 0 40 GFAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2ccc(Br)cc2)n1 15881328 MAZQQWQZJXJJKM-UHFFFAOYSA-N 388.225 3.000 0 40 GFAB COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N(C)C)c1 17794861 NOXZIGJDQZNBPM-QGZVFWFLSA-N 385.489 2.772 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3cccc(Cl)c3)C2)c2nccnc21 19021558 JJHPPRAVOBMXRJ-MRXNPFEDSA-N 398.898 2.605 0 40 GFAB Cc1c(NC(=O)CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cnn1C 19553811 JYRYYERSCPXGLZ-UHFFFAOYSA-N 398.898 2.691 0 40 GFAB CN(C)C[C@@H]1CCCN(C(=O)Cn2c(-c3ccccn3)nc3ccccc32)C1 19582054 APKRXBJXSYGDNW-KRWDZBQOSA-N 377.492 2.899 0 40 GFAB CN(C[C@H]1OCCc2ccccc21)C(=O)COC[C@H]1COc2ccccc2O1 19586057 LVMHINAQNHCGMV-LAUBAEHRSA-N 383.444 2.615 0 40 GFAB COc1c(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c(C)nn1C 19712651 UZSLMIGBPZSYHZ-ZVDOUQERSA-N 382.508 2.764 0 40 GFAB CNC(=O)c1cc([C@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc12 19754414 SBGZVVWKMRECSY-HXUWFJFHSA-N 375.428 2.808 0 40 GFAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 20019091 PQZIVUMRIIZMIP-UHFFFAOYSA-N 392.452 2.936 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 20460010 DWIGRNGATUBOOQ-UHFFFAOYSA-N 386.448 2.651 0 40 GFAB O=C(Cc1cccc(F)c1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22227471 GZHPWXKGZZEQAE-UHFFFAOYSA-N 390.480 2.512 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 22916573 KNLUGEZTSRFYFF-UHFFFAOYSA-N 391.475 2.801 0 40 GFAB CC1CCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C(C)C)CC1 23115423 JYVFGCOQGSVKLC-UHFFFAOYSA-N 395.507 2.762 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 23248814 MBOVPJAPZSPUQV-UGKGYDQZSA-N 393.531 2.936 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N(CCOC)Cc2cccs2)cc1 24366611 MQANMCWMDKHYIE-UHFFFAOYSA-N 383.491 2.762 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 24676353 HFYYJLZUPRTFTB-JOZWUWCOSA-N 390.427 2.649 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC(c1ccccc1)c1ccccc1 24988195 BPTUHSOGGSGZJS-UHFFFAOYSA-N 391.471 2.799 0 40 GFAB COc1ccc(CN2CCCN(C(=O)c3cn4ccc(C)cc4n3)CC2)cc1 25081767 AYCREIMSFKSVER-UHFFFAOYSA-N 378.476 2.999 0 40 GFAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 25621859 DPUGRBNLDVAYJF-AWEZNQCLSA-N 385.489 2.744 0 40 GFAB COc1ccc(OCCC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 28069429 GLMVPQVBYSZNRH-UHFFFAOYSA-N 388.807 2.869 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 28207393 JTTPOMAUGHAQNI-HNNXBMFYSA-N 376.478 2.502 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNc2nccc(C(F)(F)F)n2)cc1 29431686 ZVCZAHMZZCVNHH-UHFFFAOYSA-N 388.415 2.935 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)OCc1ccccc1C(F)(F)F 31641536 QAFWDNCXTUBLLR-UHFFFAOYSA-N 377.322 2.944 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 32306337 YPSQCQSDWPGWLK-KRWDZBQOSA-N 397.519 2.507 0 40 GFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 32816068 JPBPFWBOMKXZNH-GFCCVEGCSA-N 399.413 2.538 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](C)c3ccc(F)c(F)c3)c(C)c12 32827256 NUYCSKZNQYXCRL-NSHDSACASA-N 388.418 2.967 0 40 GFAB CCCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(Br)cc12 35312629 HHJGRBROXGCJSC-UHFFFAOYSA-N 380.271 2.887 0 40 GFAB CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](C)c1ccccc1 35485459 CMYPWYFYCZTSCH-CZAAIQMYSA-N 379.504 2.719 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1O 39587768 MKYSNKYZAYIGSO-UHFFFAOYSA-N 392.814 2.690 0 40 GFAB COc1ccc(OC)c(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)c1 40080062 MHCVUCHAYLBDDF-UHFFFAOYSA-N 384.432 2.748 0 40 GFAB Cc1cnc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cn1 40107821 XYDFFNFINNQVQK-MRXNPFEDSA-N 392.381 2.897 0 40 GFAB CCOC(=O)N1CCC(NC[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 40160711 QGEQJILVMRCHHU-AZUAARDMSA-N 376.497 2.652 0 40 GFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 40433928 AUTCQXVTOIJYOT-OEFWNQGBSA-N 399.488 2.557 0 40 GFAB in-vitro Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856417 JYIXNLGTZQLGTN-DNVCBOLYSA-N 388.489 2.708 0 40 GFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 47080967 FNOZGXYUTIYOEL-HOTGVXAUSA-N 382.526 2.791 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)c1ccc(NC(=O)c2ccccn2)cc1 48261584 SJHFPELRLFFOES-UHFFFAOYSA-N 398.426 2.845 0 40 GFAB CCOc1ccccc1NC(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O 49388790 ROWFWGIZXMWEGE-UHFFFAOYSA-N 383.404 2.695 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)N1CC(c2nc(-c3cccs3)no2)C1 49483862 YXMSWRUXUAAXTM-UHFFFAOYSA-N 379.438 2.866 0 40 GFAB COc1ccccc1-c1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)[nH]n1 58223180 TUZAECBJAKHQFG-AWEZNQCLSA-N 378.436 2.730 0 40 GFAB CC1CCN([C@H](C)CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 58327158 YFJLBGMKVMAVCL-OAHLLOKOSA-N 383.500 2.917 0 40 GFAB Cc1sc2nc(CN3CCOCC3)nc(NCCc3nccn3C)c2c1C 58439387 NUJDEEUAVVDUFZ-UHFFFAOYSA-N 386.525 2.528 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1 67132924 FIDFMLFKDNCTJW-UHFFFAOYSA-N 397.500 2.989 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccccc2OC)cc1 67198521 CYKLHHAUFBJJRQ-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB CCOc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1F 70922238 VTTXJZCIUMJCCQ-UHFFFAOYSA-N 393.484 2.814 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(F)c2)c(F)cc1F 72277401 GCRAIVVAQQBPON-UHFFFAOYSA-N 375.324 2.700 0 40 GFAB Cc1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)c2cccnc12 78624282 QATAMXMFTGOILE-CALCHBBNSA-N 390.505 2.892 0 40 GFAB O=C(Nc1ccc(-n2cncn2)cc1)N(Cc1cccnc1)C[C@H]1CCCO1 89793971 UJFUFIJWGYZYON-LJQANCHMSA-N 378.436 2.875 0 40 GFAB Cc1noc(C)c1CN(C)CCC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 95456904 FIIAISLVVHZYNX-HXUWFJFHSA-N 398.507 2.767 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1cnn(C)c1C 95998560 WORMBUMODMVVRU-LJQANCHMSA-N 397.454 2.884 0 40 GFAB CN(C)c1cccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)n1 96006486 WIWXXNZZLPYCJD-UHFFFAOYSA-N 396.491 2.794 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1 96084317 DDMDRDBGVXFCSK-UHFFFAOYSA-N 377.448 2.663 0 40 GFAB COCCO[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1Cc1ccccc1 96261305 COOIICYXQTWYSP-RBUKOAKNSA-N 383.444 2.904 0 40 GFAB COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3ccc(C)cc3)C[C@H]2C1 96269094 FDALJYISANWANY-GOSISDBHSA-N 379.460 2.766 0 40 GFAB biogenic,in-vitro O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2ccc(Cl)cc21 96345130 DRWZDPOUMOVVPS-UHFFFAOYSA-N 384.867 2.547 0 40 GFAB CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C=CO[C@@H]1COC(=O)c1ccccc1 98072754 JLIQXXWSKVCPLQ-AQNXPRMDSA-N 396.395 2.913 0 40 GFAB Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC1 100643462 TZHZUCUJVSBWEW-LAUBAEHRSA-N 390.549 2.842 0 40 GFAB O=c1cccc2n1[C@@H]1C[C@@H](C2)CN(Cc2nc(-c3cccnc3Cl)no2)C1 100726410 NCMAVXWCCOAJGL-TZMCWYRMSA-N 383.839 2.566 0 40 GFAB CCC(CC)[C@H](O)CN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 108393308 YNNAZNGYQSVJDW-NSISKUIASA-N 378.513 2.799 0 40 GFAB NC(=O)C1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1 154724684 HWEIDNHOTMUQLA-UHFFFAOYSA-N 398.334 2.929 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCN1c1nccs1 206783493 PPPNGYGQBHBQIO-LBPRGKRZSA-N 387.914 2.752 0 40 GFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(F)cc3)n2)cc1 223652307 IYYSQHAHUINFGT-UHFFFAOYSA-N 391.424 2.846 0 40 GFAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224189348 MYXSGARKZGYQOI-HNNXBMFYSA-N 387.521 2.771 0 40 GFAB Cc1ccc(CN(CC(=O)NCCCOC2CCCCC2)S(C)(=O)=O)cc1 224281663 QUFBBBNBKVMNRK-UHFFFAOYSA-N 396.553 2.612 0 40 GFAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C(=O)Nc1ccccc1Cl 239808040 KEXHYRBPYXCEMB-GOSISDBHSA-N 390.848 2.985 0 40 GFAB COc1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)c(OC)c1 254749125 MPNKHTVVYBIDFR-UHFFFAOYSA-N 383.404 2.522 0 40 GFAB Cn1cc(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 257263769 LRIOPYGWPQRXLT-HXUWFJFHSA-N 380.423 2.759 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCCc2ccccn2)[C@@H]1c1ccccc1C 257304784 SNDAIZJPCPVCIN-IRLDBZIGSA-N 395.503 2.675 0 40 GFAB COCCN1CCC[C@@]2(CN(Cc3n[nH]c4ccccc34)CC(F)(F)C2)C1=O 306126653 FAYZSMGESUQBDY-LJQANCHMSA-N 392.450 2.659 0 40 GFAB Cc1nc2c(n1C(C)C)CN(C(=O)C1CC1)CC21CCN(C(=O)N(C)C)CC1 306131361 KCKQXLQPQVLKSM-UHFFFAOYSA-N 387.528 2.540 0 40 GFAB COC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)sc2c1CCC2 408611231 SMNUFXALUKVOOO-UHFFFAOYSA-N 394.474 2.647 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 409201584 WOSUKLNJSVXAIM-CYBMUJFWSA-N 380.441 2.920 0 40 GFAB Cc1ncsc1CCS(=O)(=O)N1CCC2(CC1)OCCc1ccccc12 514848720 KKCBVPPEJIVVFB-UHFFFAOYSA-N 392.546 2.888 0 40 GFAB O=C(c1cnccc1Oc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 558596173 WVPRDOUYVUIDIJ-UHFFFAOYSA-N 395.459 2.585 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)CC[S@]1=O 577235543 BQHQOUODCKDMNC-GWQKEKGPSA-N 395.912 2.677 0 40 GFAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@H](n2cc(CO)nn2)C1 577979740 TVETXTDICMZOTE-SFHVURJKSA-N 378.436 2.701 0 40 GFAB Cc1cc(O)nc2cc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)ccc12 579457679 SAHVPVHTPGOCKA-NRFANRHFSA-N 390.399 2.556 0 40 GFAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2cnn3ccccc23)CC1 583615929 QVJUXCVJXWFPSB-UHFFFAOYSA-N 397.479 2.749 0 40 GFAB Cn1ncc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)n1 585082793 ISWGDFDLXITWGJ-UHFFFAOYSA-N 391.262 2.726 0 40 GFAB O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(N2CCOCC2)ccn1 647746658 JHDWVVQZHKAXNG-UHFFFAOYSA-N 382.342 2.507 0 40 GFAB COc1nc(OC)c2sc(S(=O)(=O)Nc3c(F)cccc3F)cc2n1 951726620 FKJAMVRVITUHQD-UHFFFAOYSA-N 387.389 2.788 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(COc2ncccn2)CC1 1775969796 LIHZILSYCKFJIC-UHFFFAOYSA-N 395.438 2.947 0 40 GFAB O=C(c1cc(C2CC2)[nH]n1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775995186 HAAGPKITRLQLHC-UHFFFAOYSA-N 381.480 2.887 0 40 GFAB Cn1nc(-c2ccc(F)cc2F)cc1C(=O)N1CCN(CC(F)(F)F)CC1 1849254930 RKRKVKYRNGDTBF-UHFFFAOYSA-N 388.340 2.685 0 40 GFAB Cc1csc(C(=O)N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)c1 1888897658 SGSXOIVJQFXFOG-CYBMUJFWSA-N 383.477 2.913 0 40 GFAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(Cc3ccc(F)cc3F)[C@@H]2CN1 2037984369 YRKLOHIBJPXOCN-YVWKXTFCSA-N 376.378 2.587 0 40 GFAB O=C(c1cc2ccccc2o1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 22385932 MZBCNRYLBSSRAS-UHFFFAOYSA-N 388.427 2.627 0 40 GFAB O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 920677 GCYJDRKDJWDSQY-UHFFFAOYSA-N 379.526 2.722 0 40 GFAB CCOC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)C1 47399705 DSAGWVPGGAHFSS-URWSZGRFSA-N 380.828 2.819 0 40 GFAB Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1C 2067641 RDVFDJDPSRHVPB-SFHVURJKSA-N 383.448 2.802 0 40 GFAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCCNc3ccccc3)cc2)o1 61717922 WSYRXEWJKOJTNF-UHFFFAOYSA-N 379.420 2.602 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CCC(=O)c2ccc(F)cc2)c1C 8010465 NKTDZJUHFHNCEP-UHFFFAOYSA-N 378.425 2.692 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 8313383 JFYWOHCCMSNRKJ-FQEVSTJZSA-N 398.459 2.964 0 40 GFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)Cn1cccn1 24804613 IBRVBMXPVDTVDQ-CQSZACIVSA-N 376.464 2.833 0 40 GFAB CC(C)C(=O)Nc1nc(CC(=O)O[C@@H](C)C(=O)NCc2cccs2)cs1 95466503 DMVKEANRIDDDPI-NSHDSACASA-N 395.506 2.590 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cc(F)ccc1F 57472316 PEQHBBQTZANJMF-UHFFFAOYSA-N 378.350 2.610 0 40 GFAB NC(=O)NC(=O)[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 10026746 MBBJKVXXVPQZTD-OAHLLOKOSA-N 394.460 2.703 0 40 GFAB CCCN1CCN(C(=O)CSc2nnc(Cc3ccc(CC)cc3)o2)CC1 20197192 UVSHXDFYVXHBCG-UHFFFAOYSA-N 388.537 2.869 0 40 GFAB O=C(O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 2139927 HQURCQXSIORDKI-ROUUACIJSA-N 382.416 2.730 0 40 GFAB biogenic COc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1C(=O)N1CCCC1 113941418 JQDUNRVMGOEIAB-UHFFFAOYSA-N 392.452 2.549 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1C 20013734 YESIMZKOGKJWGP-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 46171842 MKCUTHXPAMALIE-GFCCVEGCSA-N 379.434 2.515 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 3490885 PGHTZBQVPJCJKX-UHFFFAOYSA-N 394.836 2.645 0 40 GFAB CC[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(OC)cc1 12924150 JZROGYUYVQRSKW-GOSISDBHSA-N 381.432 2.628 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc2ncsc2c1 13008815 SAOACWNKTWXAIX-UHFFFAOYSA-N 381.457 2.699 0 40 GFAB COc1cc(COC(=O)c2cnc3ccc(C)cn3c2=O)ccc1OC(F)F 13005708 JSLYFZSVLYDWEJ-UHFFFAOYSA-N 390.342 2.970 0 40 GFAB COc1ccc(-c2cc(=O)[nH]c(N3CCN(c4cccc(OC)c4)CC3)n2)cc1 9096436 CKAMZMSWNWXDCK-UHFFFAOYSA-N 392.459 2.781 0 40 GFAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)c(OC)c1 4008729 QTAKNQKIBWWPPE-MRXNPFEDSA-N 378.425 2.771 0 40 GFAB CCN(CC(=O)NCCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 13598326 KRLIIJKUTXLTTJ-UHFFFAOYSA-N 398.894 2.757 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccncc2)N1CCc1ccccc1 13692856 OURDNLADPLUAJR-IFMALSPDSA-N 394.496 2.973 0 40 GFAB COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1ncccc1C)C(F)(F)F 6090724 FGGCBMPCIKYZSQ-MRXNPFEDSA-N 385.317 2.803 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 5075439 JHHUNTCGGDJPEB-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB CC(C)OC(=O)c1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)cc1 13735165 GZDUHWDPMLNINK-MJGOQNOKSA-N 389.473 2.531 0 40 GFAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 5126540 ORQFGHOGKYZHFZ-GEEKYZPCSA-N 392.242 2.905 0 40 GFAB COc1ccc(-n2ccnc2SCC(=O)N2CC(=O)Nc3ccccc32)cc1 5262942 PVBPAYZOPSUAOP-UHFFFAOYSA-N 394.456 2.958 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(C(C)=O)ccc3OC)C2=O)cc1 6647701 WMZRUZICABYEOP-OAQYLSRUSA-N 382.416 2.874 0 40 GFAB Cc1cc2nc(SCC(=O)NCCC(C)C)n(Cc3ccco3)c(=O)c2[nH]1 67236268 QPDBMQUEVFCOCQ-UHFFFAOYSA-N 388.493 2.929 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 67482290 PMFPIZKGFQRNRD-MGPUTAFESA-N 391.471 2.592 0 40 GFAB COc1cc(OC)c(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1Cl 15826698 UMTZEQKUQLLTNW-NSHDSACASA-N 375.812 2.744 0 40 GFAB C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)NCCC1=CCCCC1 7807017 SLXHFCRVDZUCOB-GJZGRUSLSA-N 398.459 2.610 0 40 GFAB O=C(CSc1nnnn1C1CCCC1)NCCc1ccc(OC(F)F)cc1 16372741 AHGCBGBHHPFKQB-UHFFFAOYSA-N 397.451 2.841 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 7986671 MYHFSSNEYDTWPC-MRXNPFEDSA-N 383.473 2.884 0 40 GFAB Cc1ccc(CSCCNC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18701104 GQSFSTBMZRSFIT-HDICACEKSA-N 388.533 2.910 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 25452962 WJMVOKDWKQNLBV-UHFFFAOYSA-N 389.814 2.803 0 40 GFAB COc1ccc(C(=O)CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cc1 95475485 XULWYPGYFIXMMX-UHFFFAOYSA-N 395.415 2.715 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245884 QZKAROZFEUUREJ-MRXNPFEDSA-N 389.521 2.680 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C 20016177 ADTUFZXBBKTEKO-NSHDSACASA-N 384.404 2.587 0 40 GFAB CCN1CCC[C@@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 22914964 KNLRYTVGFIYFAK-QGZVFWFLSA-N 383.471 2.735 0 40 GFAB NC(=O)COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409215079 ZOMUCNQIVOCTGG-ATVHPVEESA-N 382.441 2.830 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709958 ZWZMTINXVDAEFT-YOEHRIQHSA-N 383.448 2.843 0 40 GFAB COC(=O)c1cccc(Cc2cnc(NC(=O)c3cnn4cccnc34)s2)c1 505304164 MDKLOJANCMSEAJ-UHFFFAOYSA-N 393.428 2.816 0 40 GFAB CCc1ccc(Oc2cc(N3CCC(C(=O)NCCOC)CC3)ncn2)cc1 33312014 XKICKMUULDZXCP-UHFFFAOYSA-N 384.480 2.810 0 40 GFAB Cc1noc([C@H](C)NC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)n1 523626101 MDOPJULRLTWYNJ-AWEZNQCLSA-N 398.467 2.548 0 40 GFAB Cc1cc(O)nc2cc(NC(=O)C[C@@H](c3ccsc3)n3cnnn3)ccc12 524733821 SLUKTQQXLHQJNC-INIZCTEOSA-N 380.433 2.915 0 40 GFAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 8073440 DJKKIOJVSQKWOO-NTCAYCPXSA-N 397.500 2.807 0 40 GFAB O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccccc1F 37525457 GXTISCSBJFISCV-UHFFFAOYSA-N 387.480 2.952 0 40 GFAB Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c2cnn(C3CCCC3)c2n1 1565524725 MEPRDUAPVOHFCC-CQSZACIVSA-N 383.496 2.984 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccc(OC)cc1 217413873 DHUPFUAJWZCTBS-UHFFFAOYSA-N 392.477 2.736 0 40 GFAB CCN1CCN(C(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)CC1 32610877 MIUJAPIQPPTNDY-UHFFFAOYSA-N 376.888 2.968 0 40 GFAB CC(=O)Nc1nc(-c2cccc(NC(=O)c3nccnc3C(=O)O)c2)cs1 71279666 VWWCWGNIDODHBY-UHFFFAOYSA-N 383.389 2.509 0 40 GFAB COc1cccc(OCCNS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 225154764 DZWWLPCAPVQZAT-UHFFFAOYSA-N 391.489 2.940 0 40 GFAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c(C)c1 223705574 HKXITMSTGXFYQM-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1)S(C)(=O)=O 225492282 XXUXBKRCDAYZDU-AWEZNQCLSA-N 376.478 2.972 0 40 GFAB COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224633712 QOUDLLWQEHLGIR-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB CC[C@H](C)n1ncn(-c2cc(-c3ccc(O)cc3)ccc2N2CCNCC2)c1=O 98177457 QMHXFKJFFPQUQV-INIZCTEOSA-N 393.491 2.787 0 40 GFAB COc1ccc2cc(C(=O)N3CCc4nc5ccc(F)cn5c(=O)c4C3)[nH]c2c1 238922127 UCWWBIVLLSTXJO-UHFFFAOYSA-N 392.390 2.522 0 40 GFAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 96058467 GGCXBVIXFUQBIV-RBUKOAKNSA-N 376.547 2.926 0 40 GFAB O=C(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1cccnc1 96112474 MWGGZUDNQVWDGK-ZDUSSCGKSA-N 376.338 2.951 0 40 GFAB biogenic,in-vitro Cc1cc(C(=O)NCc2cc3c([nH]c2=O)CCC3)c2nc3n(c2n1)CCCCC3 95396548 WMULCZNVKPFWPE-UHFFFAOYSA-N 391.475 2.573 0 40 GFAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C[C@@H]2CCOC2)CC1 248138937 POVDKCYQDGQFBZ-CDXJDZJCSA-N 389.515 2.833 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)ccn1 257305126 SONOHNYLGJTJIC-CQSZACIVSA-N 381.411 2.588 0 40 GFAB NC(=O)c1sc2ncccc2c1C1CCN(C(=O)Cc2cccnc2)CC1 257285899 PJJJNJFNHRPALR-UHFFFAOYSA-N 380.473 2.739 0 40 GFAB Cn1cc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 257263768 LRIOPYGWPQRXLT-FQEVSTJZSA-N 380.423 2.759 0 40 GFAB CC[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccccc1OCC(=O)NC 590666972 WHHWUDBHGWFRGQ-OAHLLOKOSA-N 388.489 2.827 0 40 GFAB C[C@H](CNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)c1nc2ccccc2s1 1630317223 WJVNGTNEWGVTKV-CYBMUJFWSA-N 393.472 2.714 0 40 GFAB O=C(c1cc(Br)c(O)c(Br)c1)N1CCn2ccnc21 1642209106 XBJQOCTZCXWTMM-UHFFFAOYSA-N 387.031 2.774 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc1Cl 96374719 TWACWEVLQZTKDH-UHFFFAOYSA-N 393.958 2.872 0 40 GFAB Cc1ccc(N2CC[C@]3(CN(C(=O)c4ccnc(F)c4)CCC3(F)F)C2)nn1 585102337 XGUHPAMQALRTPI-GOSISDBHSA-N 391.397 2.697 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN1CCC(O)CC1)C2 585104489 PFNUVTCXBJHFRF-FQEVSTJZSA-N 386.536 2.717 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894507 CQBWAHVZDQSUPJ-RXVVDRJESA-N 385.552 2.895 0 40 GFAB O=S(=O)(c1ccc(OCCOc2ccccc2Cl)cc1)N1CCOCC1 5294956 BNDAZBLTDOCSEU-UHFFFAOYSA-N 397.880 2.819 0 40 GFAB COc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 5994750 BAOWWVMBIYUNTA-ZDUSSCGKSA-N 386.404 2.603 0 40 GFAB CCn1cc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c(C)n1 12362297 QSFHHCSYNCGWNN-KRWDZBQOSA-N 396.944 2.980 0 40 GFAB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(F)cc1)S(C)(=O)=O 13715312 JIHHDJFLWQXGBB-LJQANCHMSA-N 390.480 2.955 0 40 GFAB COc1ccccc1C(=O)N1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 19017377 FJIDHBFCQLVHFY-LJQANCHMSA-N 394.475 2.757 0 40 GFAB Cc1cc2c(o1)c1cnn(CC(=O)N[C@@H](C)CCc3ccco3)c(=O)c1n2C 19125934 GGLUCUNGRCQYHX-LBPRGKRZSA-N 382.420 2.520 0 40 GFAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)C3CCC3)C2)n1 19290100 DJGJCMJUNDRCQP-KRWDZBQOSA-N 394.523 2.983 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19331184 AYOCYBWUEAERMN-ZDUSSCGKSA-N 395.437 2.699 0 40 GFAB CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 19583232 QGNCICLZFSAQHN-QGZVFWFLSA-N 395.482 2.691 0 40 GFAB CCn1cc(CN2CCC(c3nnc4n3CCNCC4)CC2)c2ccc(F)cc21 19709422 GZAVQQCYGYSMKI-UHFFFAOYSA-N 396.514 2.917 0 40 GFAB Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 19864988 UTURWVBKNYOFLK-FQEVSTJZSA-N 386.517 2.853 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Cl)c(Cl)c1 169293322 YEFCTMCIJSAHED-STNJXGOFSA-N 377.227 2.691 0 40 GFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 6346358 PWWJSMQRKQIFNM-WJDWOHSUSA-N 376.478 2.999 0 40 GFAB COc1ccc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c(OC)c1 19552275 MCSNHAWQJGQXNA-MRXNPFEDSA-N 390.505 2.882 0 40 GFAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(S(=O)(=O)c2c(C)cccc2Cl)C1 580171504 RYCPKRIWWDMVGC-OCCSQVGLSA-N 396.900 2.795 0 40 GFAB COC(=O)CNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 5174531 SNXWJWIYUNNIAV-UHFFFAOYSA-N 381.457 2.921 0 40 GFAB O=C(NCCn1ccc2ccccc21)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4272687 WNCOSDVJOVNBJU-KRWDZBQOSA-N 380.423 2.885 0 40 GFAB COc1ccccc1N1C(=O)[C@H]2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@H]2C1=O 4492566 OKRXCIMJRILWME-FUHWJXTLSA-N 397.818 2.672 0 40 GFAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccccc1Cl 4911408 RGDXPEXTSRUKAE-AWEZNQCLSA-N 392.868 2.647 0 40 GFAB COc1ccc(-c2nn(CC(=O)NC3CCCC3)c(=O)c3nc(C)sc23)cc1 8955391 VEIQTBQSDWPRQA-UHFFFAOYSA-N 398.488 2.896 0 40 GFAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccccc3F)c2=O)cc1 9660610 DOGWVDTUMQFLEU-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 9828227 KYDFLXBGNHLXTP-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697956 MUKBNNHNBYRGFU-RMKNXTFCSA-N 386.459 2.977 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(Cc4noc(C)n4)CC3)nn2)cc1 1775974683 LEXHHIYHERVZIZ-UHFFFAOYSA-N 380.452 2.556 0 40 GFAB COc1ccc2nc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)sc2c1 2086886991 MPCFGEXXKZYPLC-AWEZNQCLSA-N 397.447 2.768 0 40 GFAB CCOC(=O)c1cnn2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc12 90607203 GGDBAGAIVVVPCW-UHFFFAOYSA-N 377.356 2.870 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)o1 102860356 UYKNNKSISDKNSQ-DVOMOZLQSA-N 384.379 2.857 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103372751 DJZZFRQMSFYHDE-PAKHCZOLSA-N 395.503 2.926 0 40 GFAB CCc1nc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)sc1C 40118929 BRUQARZGOVSKTD-UHFFFAOYSA-N 384.461 2.902 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)CCNC(=O)OCC(F)(F)F)c(C)c1 40149670 PUSQAROVQRDHTM-UHFFFAOYSA-N 375.391 2.771 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1cccc(Cl)c1 32828794 HJUJNTZUSLWLFV-BBATYDOGSA-N 375.812 2.577 0 40 GFAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)Cc1ccc(OC(F)F)cc1 41815303 ODCVWZQDEGLQJR-CYBMUJFWSA-N 381.404 2.917 0 40 GFAB O=c1n(N=S(=O)(c2ccccc2)c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2CC1 1652602 PSOYZJARKQYMSM-IYBDPMFKSA-N 394.456 2.607 0 40 GFAB O=C(OC[C@H]1OC(=O)C(F)(F)[C@H]1OC(=O)c1ccccc1)c1ccccc1 2557916 SHHNEUNVMZNOID-CABCVRRESA-N 376.311 2.630 0 40 GFAB in-vitro Cc1cc(C)n(-c2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2)n1 2662318 OAWMSJWNFAHHON-UHFFFAOYSA-N 389.411 2.942 0 40 GFAB COc1ccc(F)cc1CN1CCN(CC(=O)NCCC2=CCCCC2)CC1 22784769 MEBXJPWGYAQSSK-UHFFFAOYSA-N 389.515 2.959 0 40 GFAB COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 8739425 SQAJLAVFEKAKKH-OKYOBFRVSA-N 392.386 2.514 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 57703365 QEQISOJEMSTYPC-KRWDZBQOSA-N 388.851 2.995 0 40 GFAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O 28284116 LPCHICKFFYTCDW-ZIAGYGMSSA-N 386.429 2.529 0 40 GFAB COCCN(CC(=O)Nc1cccc(C)c1C)Cc1nc2ccccc2c(=O)[nH]1 34867670 PWBQMTBVWWRBDY-UHFFFAOYSA-N 394.475 2.627 0 40 GFAB Cc1cn2c(nc3c2c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)n3C)o1 9708616 GODVEQCAONQMDG-UHFFFAOYSA-N 379.203 2.604 0 40 GFAB COc1ccccc1N1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1 26690589 DKDLIRPKUHCROH-UHFFFAOYSA-N 392.385 2.787 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1C[C@@H]2CCC[C@@H](C1)C2(O)c1cccnc1F 100769479 QDGMJJVVOBVCDB-KBPBESRZSA-N 394.443 2.668 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1C 12627405 PKRAAAPKAHWENZ-FQEVSTJZSA-N 394.450 2.812 0 40 GFAB C[C@@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N(C)c1ccccc1 48273534 AYKKNTUEDMAUOI-KRWDZBQOSA-N 378.476 2.806 0 40 GFAB CC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 10276751 WUUNYRARYYQINV-OAHLLOKOSA-N 375.494 2.654 0 40 GFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N(Cc2ccccn2)C(C)C)c1 58246402 QJTMIEDAXFDDDI-UHFFFAOYSA-N 375.494 2.739 0 40 GFAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 100180709 FKCUFWNDTOMWDZ-QNTYUMOHSA-N 397.519 2.543 0 40 GFAB CN(CCCNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 72297081 PBMNOOGGVDTKGZ-OAQYLSRUSA-N 385.483 2.842 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 12779082 SGJDDCUPQLGIBT-ZDUSSCGKSA-N 390.509 2.852 0 40 GFAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCN(C)C)cc1OC 10312803 RKFNFMSRAMRKSO-UHFFFAOYSA-N 385.464 2.638 0 40 GFAB Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)sc1CC(N)=O 58378209 SFIRFNZFAHEPAP-JQWIXIFHSA-N 375.519 2.938 0 40 GFAB C[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCCCC1 58405540 JAKCPTIFMQUYSZ-HZPDHXFCSA-N 380.483 2.965 0 40 GFAB COc1cccc(CC(=O)N2CCC(NC(=O)c3cccc(OC)c3)CC2)c1 36392346 UHPIKXWGUVZJFY-UHFFFAOYSA-N 382.460 2.667 0 40 GFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 36393257 ZERRRCSXGVUWBU-UGSOOPFHSA-N 394.447 2.844 0 40 GFAB CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 113937475 DGOBVUAAWKCQAY-UHFFFAOYSA-N 394.468 2.946 0 40 GFAB CC(C)[C@H]1CN(Cc2ccco2)CCN1Cc1nnnn1Cc1cccs1 22914339 SWIZWLOJNHMDSJ-GOSISDBHSA-N 386.525 2.718 0 40 GFAB COc1ccc(OC)c(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)c1 12996511 ZNNGGAFVKVAEEZ-UHFFFAOYSA-N 387.465 2.661 0 40 GFAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(CCCC)C2=O)c(OC)c1 12916602 FELSGHGLQGTCLY-ZSWIXMFSSA-N 390.480 2.969 0 40 GFAB CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N(CC)CC 64580481 OHYDRSWGZYAMEV-UHFFFAOYSA-N 389.521 2.909 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 64988489 VFCYTGJFFRQIGL-GOSISDBHSA-N 390.461 2.559 0 40 GFAB COc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4392168 WNZVVBYSRRXDFK-JTPHSUOKSA-N 399.512 2.967 0 40 GFAB CN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(C)(=O)=O 22606746 OVQJBEVKQGIQPR-UHFFFAOYSA-N 378.294 2.554 0 40 GFAB CC[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)Nc1cc(C)on1 14246740 TYUPQEGQQHWXCH-MRXNPFEDSA-N 385.420 2.680 0 40 GFAB C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cccc2nsnc12 66934671 DRCOSNSQEOWHOQ-WFASDCNBSA-N 375.475 2.842 0 40 GFAB O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccccn2)CC1 19889471 UAMSGMXGLANNTM-UHFFFAOYSA-N 390.281 2.567 0 40 GFAB COc1ccc(NC(=O)[C@H](NC(=O)c2ccc(=O)[nH]c2)c2ccc(C)cc2)cc1 18254287 NLHUZFAMAUCHPI-HXUWFJFHSA-N 391.427 2.802 0 40 GFAB COc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4OC)CC3)n2)cc1 9668952 VGMUPMAYVKHHTG-UHFFFAOYSA-N 392.459 2.781 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)COc3cccc(N4CCCC4=O)c3)cc2NC1=O 95947507 IZZSVQINENZBBQ-CYBMUJFWSA-N 395.415 2.550 0 40 GFAB O=C(CN1CCSC1=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9904573 CKKRYDUMBIRZIL-UHFFFAOYSA-N 391.474 2.595 0 40 GFAB Cn1cc(-n2cc(C(=O)Nc3nc(-c4ccc(O)cc4)cs3)ccc2=O)cn1 546205374 YLNXCKOSNXUWFO-UHFFFAOYSA-N 393.428 2.652 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 409133925 NXCCTUUGHFVRQN-OAHLLOKOSA-N 376.478 2.631 0 40 GFAB O=C(NCCn1ccc2ccccc21)c1c(-n2cnnn2)sc2c1CCC2 524733733 LBQHDRXCSLNXGY-UHFFFAOYSA-N 378.461 2.597 0 40 GFAB COc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 71279333 UZSFTDZJKJFDQJ-TZMCWYRMSA-N 375.450 2.683 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)NCc2ccccc2)CC1 35313167 HLFPPVYCJKMOPK-UHFFFAOYSA-N 395.459 2.653 0 40 GFAB COc1nn(C)cc1C(=O)N1CC(Oc2nc3c(Cl)cccc3s2)C1 77101028 MWJDCIKXAMUTCM-UHFFFAOYSA-N 378.841 2.595 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1CCc2nc(NC(C)=O)sc2C1 70638372 XFVIQODQMWHCDY-UHFFFAOYSA-N 394.884 2.760 0 40 GFAB CC(C)(C)N1C[C@@H](NC(=O)Cn2ccc3cc(Br)ccc32)CC1=O 1565524348 GIGVQXDVUVGYMW-AWEZNQCLSA-N 392.297 2.919 0 40 GFAB CC(C)n1c(CNC(=O)CN2C(=O)CC3(CCCC3)C2=O)nc2ccccc21 79485939 KCTSQMDMFPZELI-UHFFFAOYSA-N 382.464 2.553 0 40 GFAB CN1C(=O)C[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 72242237 HXAXCZCPURFOHM-FPOVZHCZSA-N 381.451 2.694 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(Br)cc2)cc1OC 72227056 GKKFWSBKQFYQAP-DLBZAZTESA-N 391.265 2.877 0 40 GFAB O=C1NCCN1c1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1Cl 568051220 PQYJMENKJVIPLE-DOTOQJQBSA-N 385.851 2.818 0 40 GFAB C[C@H](C(=O)NCCSC1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O 224973940 BCYVIKXYYPNIFV-CYBMUJFWSA-N 388.530 2.772 0 40 GFAB Cc1cc(C(=O)NCCCN(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 224196762 ZYJMGOOFPDXAKY-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB Cc1ccc(CCCNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220092230 IKRUNHZLONITCR-UHFFFAOYSA-N 396.459 2.788 0 40 GFAB CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224589626 UEESUFBDYDCJJS-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB C[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220480923 PLIVSUNAWYWJSO-AWEZNQCLSA-N 376.453 2.960 0 40 GFAB CC1CCN(C(=O)Cn2c(CNC(=O)c3ccco3)nc3ccccc32)CC1 40197172 YNIALAQLVFVOFN-UHFFFAOYSA-N 380.448 2.818 0 40 GFAB CCCCCNC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225210549 HXBKSNZWSBVOMD-UHFFFAOYSA-N 385.555 2.956 0 40 GFAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 226320808 NAYFKERATFMCGJ-ZNLHFFCSSA-N 388.489 2.823 0 40 GFAB CN1CCN(CCc2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 40157760 GUKUOUBDDNUANM-UHFFFAOYSA-N 392.503 2.614 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4[nH]3)nn2C)cc1 96345185 NWNZJHOEHSJAIB-UHFFFAOYSA-N 375.432 2.945 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCCc2ccccn2)[C@@H]1c1ccccc1F 257282054 OSDIVUVQYZDNOS-NQIIRXRSSA-N 399.466 2.506 0 40 GFAB COc1ccc(CN2CC[C@@H](Nc3cccc(N4CCOCC4)c3)C2=O)cc1 663299493 LSXIQXBYIYCFAV-OAQYLSRUSA-N 381.476 2.745 0 40 GFAB O=C1[C@H](O)CCCCN1CC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 644405034 GDQJRUFOBGIBNM-FCHUYYIVSA-N 392.499 2.729 0 40 GFAB Cn1ccc2ccn(CCNC(=O)Cc3cccc(C(F)(F)F)c3)c(=O)c21 575414574 BTHBVXNJQAMRDJ-UHFFFAOYSA-N 377.366 2.718 0 40 GFAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1=O 585106897 KUBNXZCEOFYFPN-VGOFRKELSA-N 384.426 2.982 0 40 GFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)no1 36408784 NJGGZAZRPUGJPY-UHFFFAOYSA-N 397.262 2.686 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CC(COc4cccnc4)C3)CC2=O)cc1C 1775996224 CNGGFAAIKLUUST-SFHVURJKSA-N 379.460 2.589 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 14397607 LAFDPWXESCRNQO-LLVKDONJSA-N 375.352 2.805 0 40 GFAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 15547593 ILSWRGXGCUIXOQ-CYBMUJFWSA-N 393.534 2.556 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(Cl)cc1 15718017 DKMGNDSAIRLDRK-UHFFFAOYSA-N 394.880 2.558 0 40 GFAB COCc1ccc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 19590692 COITXFAPXWPULE-UHFFFAOYSA-N 380.492 2.631 0 40 GFAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19593567 QFZAPTSLCGOJTQ-KRWDZBQOSA-N 394.475 2.979 0 40 GFAB CCN1CCC[C@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 19655477 SXGSVCQOAWSQSQ-KRWDZBQOSA-N 392.507 2.748 0 40 GFAB O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)N1CCc2[nH]c3ccccc3c2C1 19656454 JWHFJJUHJAGXOM-IBGZPJMESA-N 394.475 2.696 0 40 GFAB C[C@@H](c1cc(O)nc(NCC(C)(C)CN(C)C)n1)n1ncc2ccccc2c1=O 19717573 IFRRIYJCALANCN-AWEZNQCLSA-N 396.495 2.501 0 40 GFAB CCN(c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 19937756 HSDKMOJDZTYLET-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169299109 UREIKWXMKSDHRU-AXHMDWHKSA-N 384.457 2.520 0 40 GFAB NC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)C4CCCC4)CCO3)n2)cc1 607855206 BMIKVEFUDBAXJT-HXUWFJFHSA-N 379.460 2.938 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19581111 PXMCRTJGBBSZLF-GUDVDZBRSA-N 389.521 2.980 0 40 GFAB CN(C)CC[C@H](NS(=O)(=O)c1ccc2oc(O)nc2c1)c1ccccc1 19716054 ACFGLIWSUFGLPG-HNNXBMFYSA-N 375.450 2.505 0 40 GFAB CCNc1nnc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)s1 10344580 QDXJFANGQUFLNT-UHFFFAOYSA-N 377.495 2.828 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)C1CCCCC1 6052436 OCBIXASISLDVFG-AWEZNQCLSA-N 396.509 2.696 0 40 GFAB COC(=O)c1ccc(CNC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 13002253 ARDHWDBJQIWBFX-UHFFFAOYSA-N 384.823 2.946 0 40 GFAB O=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ccccc2Cl)CC1 1888857152 XADTXOHREKERJT-UHFFFAOYSA-N 386.883 2.986 0 40 GFAB O=C(c1ccccc1F)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888906711 WQDBELNYGHJBCF-CYBMUJFWSA-N 381.411 2.682 0 40 GFAB COc1ccc([C@H](CNCc2cc(OC)ccc2OC)N2CCOCC2)cc1 22934952 AMWNJRRWXPKMHZ-NRFANRHFSA-N 386.492 2.876 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1 12422934 KMTIRCITDJOUCL-LBPRGKRZSA-N 394.456 2.604 0 40 GFAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(CC)CC3)c(O)n2n1 22578046 YVHCBCINRHNQAP-MRXNPFEDSA-N 389.500 2.925 0 40 GFAB CN1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccsc2)CC1 22767134 UXDJTDDIPIEVPO-QGZVFWFLSA-N 399.969 2.669 0 40 GFAB CC(C)n1cnc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)c1 1775969106 XVPZUOZEOCOMOS-GFCCVEGCSA-N 381.479 2.797 0 40 GFAB O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 36700121 ZKQTYMGDUDZJOZ-SFHVURJKSA-N 380.897 2.692 0 40 GFAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)NC[C@@H]4CCCO4)c32)cc1 38488201 QFZFTILMBQTHCG-INIZCTEOSA-N 397.504 2.820 0 40 GFAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19499445 RDDWIBNAJPGLLH-MSOLQXFVSA-N 396.491 2.652 0 40 GFAB C[C@H]1Cc2cc(CCC(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 19498130 IILXNRFTHARSIB-MGPUTAFESA-N 392.503 2.742 0 40 GFAB COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1 40146652 YQVBPYSVFNXRMZ-UHFFFAOYSA-N 389.433 2.729 0 40 GFAB COc1ccc(OC)c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 30894252 WETQDQPOHRENAL-UHFFFAOYSA-N 381.425 2.818 0 40 GFAB CCc1cc2c(=O)[nH]c(-c3ccc(S(=O)(=O)NC4CC4)cc3)nc2s1 50807568 FOBOUUVSMRNKJS-UHFFFAOYSA-N 375.475 2.655 0 40 GFAB CCN(CC)CCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 31941122 AOPBEAXMLOSFCI-UHFFFAOYSA-N 394.475 2.906 0 40 GFAB CCN(CC)CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C 51318056 QYKOBCLQHURLQN-UHFFFAOYSA-N 394.317 2.800 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 32666641 UXKXNUTUDDJVHS-OAHLLOKOSA-N 383.492 2.756 0 40 GFAB CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 32776129 DHRHGKFESOLTBJ-QMTHXVAHSA-N 386.420 2.882 0 40 GFAB C[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 32736185 OATHRLUPSZQKPE-GOSISDBHSA-N 379.504 2.976 0 40 GFAB CCOC(=O)c1cc(C)n(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1C 32841691 IWCRWDNZGXVSHL-HXUWFJFHSA-N 383.492 2.797 0 40 GFAB CN1CCN(CCCNC(=O)COc2ccc(F)cc2)[C@@H](c2ccccc2)C1 32818683 ZIHHIAHGOBAQGO-OAQYLSRUSA-N 385.483 2.700 0 40 GFAB C[S@@](=O)Cc1cccc(C(=O)NCCc2cc(F)cc3c2OCOC3)c1 52901017 WGDPLAODHFFWNC-SANMLTNESA-N 377.437 2.543 0 40 GFAB COc1cc(OC)cc(-c2nnc(SCC(=O)NCc3ccco3)o2)c1 929488 IGBGFFLXGUKACU-UHFFFAOYSA-N 375.406 2.755 0 40 GFAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 2916524 ROAVXCXLIYYOCF-ZDUSSCGKSA-N 398.341 2.690 0 40 GFAB CCc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 1353589 KCMQEPFXJSPIRL-UHFFFAOYSA-N 397.460 2.727 0 40 GFAB CCC[C@H]1CN(C(=O)CCc2cccnc2)CCN1C(=O)CCc1cccnc1 79056231 MUXQPZUIZVDALL-NRFANRHFSA-N 394.519 2.882 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 796727 VCOWHDUHAMDPNB-OAHLLOKOSA-N 380.510 2.545 0 40 GFAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NC(=O)NC1CCCC1 22785840 DMYGEFPOZPZGJE-UHFFFAOYSA-N 394.519 2.726 0 40 GFAB COCCCNC(=S)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 4888602 MWXCKRIIDQKOHM-UHFFFAOYSA-N 393.597 2.694 0 40 GFAB CCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 6264310 HCEAKIKVACDQQZ-WTNAPCKOSA-N 390.524 2.985 0 40 GFAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(C)=O 6295923 FAPZGADQDILYNQ-UHFFFAOYSA-N 387.775 2.895 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10314302 ZVJOXOVTMMUBPE-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)O 8812105 XUJGJOXQWXICRT-DNTJNYDQSA-N 380.759 2.715 0 40 GFAB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 100690777 CRRARLBQFDLNJC-WTGUMLROSA-N 387.439 2.572 0 40 GFAB CN(C)CCCN1CNC2=N[C@H]([C@H]3CC=CCC3)n3c(nc4ccccc43)N2C1 9262472 ORVHXKLXMVAFGK-PXNSSMCTSA-N 393.539 2.839 0 40 GFAB COc1ccccc1N1CCN(C[C@H](O)COC[C@@H](C)c2ccccc2)CC1 22608955 KIFPRKKBHVXVKI-CTNGQTDRSA-N 384.520 2.998 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3F)C2=O)o1 58185726 QTIBMIQQDUHNTP-KRWDZBQOSA-N 379.775 2.786 0 40 GFAB CCN(CC)C(=O)[C@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 100870413 IQOGXBBPZPCQLA-WWGRRREGSA-N 398.326 2.561 0 40 GFAB O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCOCC1 54363501 HXMYQALOZVWTEM-UHFFFAOYSA-N 375.071 2.777 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(F)cc2)n2nnnc2N3)cc1 10295387 AKVZGBBTQCUMCD-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB CCOc1ccc([C@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)cc1 10297571 GTCAMBKGZYSXOE-INIZCTEOSA-N 377.364 2.522 0 40 GFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc2c(c1)OCO2 3309876 IPAOHPSOSVCGEY-UHFFFAOYSA-N 388.729 2.566 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NCc2ccccc2F)CC1 48356288 WYYMCTKCDDFKBN-UHFFFAOYSA-N 394.450 2.904 0 40 GFAB CCCN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 24839647 HICXTNYCJRCZBF-UHFFFAOYSA-N 392.496 2.894 0 40 GFAB COc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccccc3)CC1)O2 170550462 CTQWJSVVQQBGTD-UHFFFAOYSA-N 387.457 2.884 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCCCCC1)S(C)(=O)=O 22252144 RKHCNEGXURIXLY-UHFFFAOYSA-N 384.498 2.506 0 40 GFAB COc1ccccc1N(CC(F)(F)F)C(=O)COc1ccccc1C(N)=O 11320855 GGRXUDWCZUUYGD-UHFFFAOYSA-N 382.338 2.768 0 40 GFAB COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2c1 3479299 ZJWZZRAZPIRYIA-UHFFFAOYSA-N 391.474 2.808 0 40 GFAB CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 3520869 RSQNIUFNWGGRHT-CYBMUJFWSA-N 390.461 2.641 0 40 GFAB CCOC(=O)N1CCC(C(=O)NC[C@@H](Cc2ccccc2)N(CC)CC)CC1 29917202 CNYMILZJTGEINA-HXUWFJFHSA-N 389.540 2.924 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)NCc3ccccc3Cl)c2)C1=O 12002819 JYDJCLYBSWYAMQ-GFCCVEGCSA-N 392.864 2.583 0 40 GFAB CCOc1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 12982220 ZQLRLOKODIJDOE-UHFFFAOYSA-N 388.489 2.680 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3ccnn3Cc3ccccc3)CC2=O)cc1 12917649 BMIKRJLZYIYLMP-QGZVFWFLSA-N 390.443 2.932 0 40 GFAB CCCCNC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@@H]2SC1(C)C 4074005 KIGRFOGHOJWZNF-QAPCUYQASA-N 378.494 2.969 0 40 GFAB biogenic Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Cl 8884636 HIGNSPNEDUMOMJ-CQSZACIVSA-N 383.857 2.737 0 40 GFAB CNC(=O)NC(=O)[C@@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 4252103 ATSABYFYWDPKER-INIZCTEOSA-N 381.461 2.553 0 40 GFAB COCCCn1c(C(=O)NCCC(C)C)cc2c(=O)n3cccc(C)c3nc21 5204482 NBYPPRDTYNLADO-UHFFFAOYSA-N 384.480 2.770 0 40 GFAB O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 5219492 YMODUISCQRUHRD-AWEZNQCLSA-N 383.853 2.528 0 40 GFAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccccc3s2)cc1C 5228949 MYLPPCVEHYMDMW-UHFFFAOYSA-N 390.486 2.935 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c(OC)c1 4933891 AHPMEKGHDPPAHM-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB C[C@H](SCc1cc(=O)n2cc(Br)ccc2n1)C(=O)NC(C)(C)C 15490695 IPTKEKURIDHDNO-JTQLQIEISA-N 398.326 2.993 0 40 GFAB NC(=O)[C@H]1CCCN1[C@H](C(=O)O)c1c[nH]c2ccc(OCc3ccccc3)cc12 80350412 QPDFYGBRIGZVIP-UXHICEINSA-N 393.443 2.822 0 40 GFAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16695727 KCNYGSSHLFTDMT-KSSFIOAISA-N 384.480 2.572 0 40 GFAB CC(C)C(=O)N1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1 16695759 JDDJTKQEXNWMGT-UHFFFAOYSA-N 380.395 2.638 0 40 GFAB CCOc1c(Br)cc(Br)cc1CNc1nn[nH]n1 8253325 LLBGREWQDZKMAI-UHFFFAOYSA-N 377.040 2.736 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC[C@@H]3CCCO3)cc2)CC1 17081357 YQVWECQLJUSNGJ-INIZCTEOSA-N 397.566 2.573 0 40 GFAB Cc1noc(-c2cccnc2N2CCN(C(=O)Cc3ccccc3C)CC2)n1 72302091 MBJOUYZMCMNSFE-UHFFFAOYSA-N 377.448 2.640 0 40 GFAB CC1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3nnc(C4CC4)s3)C2)CC1 95392614 OAACEUFXWIDYEY-CQSZACIVSA-N 377.514 2.918 0 40 GFAB COc1ccc(NC(=O)C[C@]2(C(=O)O)CC(c3ccc(OC)cc3)=NO2)cc1 72403247 JKEUUWOUQDAUCF-FQEVSTJZSA-N 384.388 2.680 0 40 GFAB COCCn1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc2c1=O 72400345 NFMAZKRPHMLVEX-OAQYLSRUSA-N 392.455 2.862 0 40 GFAB COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NCc1cc(Cl)ccn1 95462085 LVHAKWLEHLNSSB-UHFFFAOYSA-N 395.868 2.571 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1O[C@H](C)C(=O)O 95464505 AUDGDSWAUWTPGJ-GFCCVEGCSA-N 377.418 2.503 0 40 GFAB O=C(c1ccccc1OC(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29893847 XCPQRTBSECRNND-UHFFFAOYSA-N 390.386 2.975 0 40 GFAB CN(C)CCCN[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 56964129 MIHJKKLTYAJZEH-IBGZPJMESA-N 385.464 2.802 0 40 GFAB COc1cc(OC2CC2)ccc1C(=O)N1CCCN(c2ccc(C)nn2)CC1 519615312 HKPFBWCOQDGXHK-UHFFFAOYSA-N 382.464 2.687 0 40 GFAB Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCS1(=O)=O 521062892 CKWVTUWXFOHOQA-CQSZACIVSA-N 387.383 2.715 0 40 GFAB COCc1noc(CN2CCN(C(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)n1 521788387 MDJGLIOZJCAFKX-RTBURBONSA-N 398.507 2.834 0 40 GFAB COCc1cc(CN2CCn3c(nnc3[C@@H]3CCCNC3)C2)ccc1OC(C)C 72372151 QIPWTYOILAUJRX-GOSISDBHSA-N 399.539 2.695 0 40 GFAB Cc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)c1C 36633951 ROIPHXMDIIOLEN-HXUWFJFHSA-N 381.451 2.897 0 40 GFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN(C)C)c2)cc1 78535586 HYPJWDXARWPAHR-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB COCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 72362288 UUKFGSYUDRTHOW-HNNXBMFYSA-N 384.436 2.580 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 223989676 VBCFMOQVLLKWIY-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc(=O)c2ccccc2o1 43999843 CAXSLRKWOUJRKR-UHFFFAOYSA-N 393.424 2.508 0 40 GFAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)NC(C)C)c2)C1 40133696 BYHYQYLJVIISHL-KRWDZBQOSA-N 388.512 2.937 0 40 GFAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(CN(C)C(C)=O)c2)C1 40133678 OGUQGAVTCYQTHH-SFHVURJKSA-N 388.512 2.777 0 40 GFAB COc1ccccc1C1=NO[C@@](C)(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 222283838 GBQWSWCKMRPAKU-DENIHFKCSA-N 381.476 2.997 0 40 GFAB O=C(Nc1cccnc1)c1nc2c(s1)CCN(C(=O)Cc1ccccc1)CC2 96146921 XNAOPCUKYLOKNH-UHFFFAOYSA-N 392.484 2.960 0 40 GFAB COCCn1cnc2ccc(NC(=O)CCc3ccc4c(c3)CCO4)cc2c1=O 96116544 KQJIATDEOVTSBX-UHFFFAOYSA-N 393.443 2.549 0 40 GFAB biogenic Cc1cccc(N2C[C@@]3(CCN(S(=O)(=O)c4cccs4)C3)CC2=O)c1 96238541 WDRZARPRLKNFOR-SFHVURJKSA-N 376.503 2.874 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1F 96237943 WALRPSDILOKXRM-QFIPXVFZSA-N 399.441 2.837 0 40 GFAB CCCCC(=O)N1CCC2(CC[C@@H]3ON=C(C(=O)NCc4ccco4)[C@@H]32)CC1 248244464 GHSUTMCQNAKUKU-FUHWJXTLSA-N 387.480 2.860 0 40 GFAB CCn1nc(C)c(CC(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)c1C 585085659 NNWWJUDUDTYXGI-UHFFFAOYSA-N 384.528 2.597 0 40 GFAB CN(C)CCOc1cc(-c2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)ccn1 585084213 KXMSWCBARRGVSC-FUHWJXTLSA-N 381.436 2.712 0 40 GFAB CCn1cc(S(=O)(=O)N(C[C@@H](C)N(C)C)c2c(C)cccc2C)nc1C 585138503 WVLAXNKGSWYGLY-MRXNPFEDSA-N 378.542 2.974 0 40 GFAB COc1cccc(-c2cncc([C@@H]3CN(CC(=O)N4CCCCC4)CCO3)n2)c1 257328112 XEFKFQCVJAQHIC-NRFANRHFSA-N 396.491 2.538 0 40 GFAB C[C@@H](C(=O)N1CCC[C@]1(c1c[nH]c2ccccc12)C(F)(F)F)S(C)(=O)=O 622981334 WNLGLLLAEHODPC-ZBEGNZNMSA-N 388.411 2.981 0 40 GFAB C[C@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)c2ccoc2)CC1 1616031613 OWOPRISTHLQBSA-SFHVURJKSA-N 393.281 2.708 0 40 GFAB COC1(c2nc(C3CC3)no2)CCN(Cc2ccc(C(=O)O)cc2F)CC1 659795596 NLRNTNGHMOQTCJ-UHFFFAOYSA-N 375.400 2.922 0 40 GFAB O=C(N[C@@H]1CC[C@@H](F)C1)c1nc2c(o1)CCN(C(=O)c1ccccc1F)C2 585111729 GYKJJCAWHSDMMZ-VXGBXAGGSA-N 375.375 2.633 0 40 GFAB COc1ccc(CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C2CC2)cc1 30281575 HOFBUDRFHZNNQF-UHFFFAOYSA-N 399.472 2.670 0 40 GFAB C[C@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCc1cccc(F)c1 84139483 XORSHPPSZMNGSR-QFYYESIMSA-N 383.778 2.841 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N3CCCCC3)n2)cc1 96120827 WUMITOCQDKGPRG-UHFFFAOYSA-N 390.509 2.653 0 40 GFAB COC(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 14095091 IPNGULHKQNONBA-AWEZNQCLSA-N 379.416 2.738 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3ccc(C)cc3)nn21 14607328 FCVOEYICKJRVLD-HNNXBMFYSA-N 377.404 2.784 0 40 GFAB COc1ccc([C@H]2CN(C(=O)c3ccncc3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017740 BMWACLBCLAELLH-NJDAHSKKSA-N 379.460 2.709 0 40 GFAB Cn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)[C@@H]1CCCO1 19291741 HVCMZXFFEGNKTM-KRWDZBQOSA-N 399.882 2.899 0 40 GFAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 19348448 VDPLQDXWQKZEQM-QHCPKHFHSA-N 386.455 2.704 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@@H](c2nc(-c3ncccn3)no2)C1 19403965 UTTXTNICMBCGEO-GOSISDBHSA-N 389.459 2.964 0 40 GFAB CCc1cc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)no1 19522657 JZBCUYROFIYWNR-GOSISDBHSA-N 399.495 2.867 0 40 GFAB COc1ccc2cc(CNc3ccccc3C(=O)N3CCOCC3)c(=O)[nH]c2c1 19563939 GTCWSQJDUTYWIR-UHFFFAOYSA-N 393.443 2.621 0 40 GFAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3cnc4c(C)cccn4c3=O)n2)c1 19663152 KGKRYSLTEQWEGY-AWEZNQCLSA-N 389.415 2.852 0 40 GFAB CN(C(=O)c1nccc2ccccc12)[C@H]1CCCN(C(=O)Cn2cccn2)CC1 19749912 ULAFJSKFILVCRC-SFHVURJKSA-N 391.475 2.585 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1OC 6326250 DEASGANNQUJFRM-NVNXTCNLSA-N 378.450 2.512 0 40 GFAB O=C(c1ccc(F)cc1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576561 RJSOIZVTAJOBDO-VQTJNVASSA-N 387.451 2.795 0 40 GFAB CCOC(=O)[C@@H](Cc1ccccc1)NC[C@@]1(COC)OCCc2ccccc21 589569824 UTEVFMYVABXWLF-GGAORHGYSA-N 383.488 2.865 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1ccccc1 3600459 MCEGAKCHTGUSGY-RBZFPXEDSA-N 385.851 2.984 0 40 GFAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc2n1 1888856923 ZCVIQJCEUOCWMV-INIZCTEOSA-N 386.496 2.823 0 40 GFAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 22022544 RUEQRGSQWKXCCA-YPMHNXCESA-N 384.548 2.688 0 40 GFAB CCOC(=O)c1ccc(OC[C@@H](O)CSc2nnc(C3CC3)n2CC)cc1 22131991 VGTPQRDEUIGAKC-OAHLLOKOSA-N 391.493 2.884 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238903594 RRPZSTQBXOGTQI-SJORKVTESA-N 387.436 2.922 0 40 GFAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)NC1CCCCC1 4330203 WGMUWRSDPXXKSA-UHFFFAOYSA-N 398.532 2.716 0 40 GFAB Cc1cc(NC(=O)CCCn2nc(C)c(I)c2C)no1 4784249 DARQBOUHLGERRY-UHFFFAOYSA-N 388.209 2.820 0 40 GFAB O=C(CSc1nc2ccccc2o1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 49026536 QEKQZADUAZWLDQ-KGLIPLIRSA-N 381.457 2.728 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)N[C@H](C)c2ccccc2)c1 29328084 SVLAIRWSRHAAFP-MRXNPFEDSA-N 375.494 2.642 0 40 GFAB CCOC(=O)COc1cccc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1 40074594 ODWSQLYZWXKBIW-MRXNPFEDSA-N 376.453 2.604 0 40 GFAB Cc1cccc(NC(=O)CS(=O)(=O)Cc2nc(-c3cccs3)no2)c1 40070224 CAYUTAVPJCANTA-UHFFFAOYSA-N 377.447 2.660 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1c[nH]nc1-c1ccc(F)cc1 40058514 LXBCWVBJUPUKKS-LJQANCHMSA-N 394.450 2.847 0 40 GFAB CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)n1 40159769 VBECEWOEFVKSFQ-ZDUSSCGKSA-N 387.461 2.928 0 40 GFAB C[C@@H](NC(=O)CSc1nc(O)c2c[nH]nc2n1)C12CC3CC(CC(C3)C1)C2 30587874 FVHOPOYUCXHYOW-BHWZJQCCSA-N 387.509 2.872 0 40 GFAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3N3CCCN23)cc1 100776897 ZNHQAQNZJHWOBI-HBMCJLEFSA-N 391.471 2.848 0 40 GFAB CC(=O)c1cccc(NCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 21355952 FGCYYHCFUYEMJQ-UHFFFAOYSA-N 379.460 2.854 0 40 GFAB CN(Cc1nnc2n1CCCCC2)C(=O)CCc1nnc(-c2ccccc2)o1 32786751 BBLJRDAYNZQIMK-UHFFFAOYSA-N 380.452 2.646 0 40 GFAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814415 RGDBNFOAXGCACA-UHFFFAOYSA-N 385.445 2.548 0 40 GFAB Cc1ccc(OCC(=O)Nc2nonc2NC(=O)COc2ccc(C)cc2)cc1 671499 IROQBQDTUZZQAC-UHFFFAOYSA-N 396.403 2.721 0 40 GFAB COc1ccccc1-n1c(COc2cccc(C)c2)nnc1SCC(N)=O 904852 YZSDUQSOKVXEON-UHFFFAOYSA-N 384.461 2.741 0 40 GFAB C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1 920689 DNKIFNPZZCGATF-INIZCTEOSA-N 393.553 2.968 0 40 GFAB Cc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1C 932409 KCXBYBWDEAQHEC-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB CCCc1cc2c(cc1NC(=O)CS(=O)(=O)Cc1ccccc1)OCO2 1428343 GXYGILVDZCBQRZ-UHFFFAOYSA-N 375.446 2.921 0 40 GFAB CCOC(=O)c1cccc(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 2091385 QFRIMFRVCAMVAJ-HOCLYGCPSA-N 397.500 2.841 0 40 GFAB CCOCCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 2093697 FWBGVINKOISCPP-UHFFFAOYSA-N 390.505 2.809 0 40 GFAB O=C(O)CCCCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 2134575 QJVPSVWEEYOROT-UHFFFAOYSA-N 387.432 2.812 0 40 GFAB biogenic COc1ccc(CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1OC 3418325 ZMLMTLWUWNUUNY-HNNXBMFYSA-N 391.855 2.773 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CSC(=S)N3CCOCC3)n2)c(C)c1 3636175 IIFPDZNLPHTEIO-UHFFFAOYSA-N 390.538 2.665 0 40 GFAB CCOc1ccc(COC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 4029592 KCTJKLSZBAXALE-ICBNADEASA-N 394.464 2.998 0 40 GFAB biogenic Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1F 4370427 YRMKBQVYCUYQAA-UHFFFAOYSA-N 383.427 2.632 0 40 GFAB CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccc(OC)cc1 4717280 SJFXVNVASQFRFP-WDEREUQCSA-N 388.371 2.628 0 40 GFAB CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 4725751 WTUOGGZPHJOAND-CVEARBPZSA-N 378.469 2.738 0 40 GFAB COc1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc32)cc1 4829930 CCISUUGTOSXKLB-UHFFFAOYSA-N 382.445 2.678 0 40 GFAB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12 5012606 YLRGLEIHLLOUQJ-UHFFFAOYSA-N 390.490 2.513 0 40 GFAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 5120355 LGOFDWRFPGEKAP-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1ccccn1 5622197 ZAXLBCPTZJYJRH-UHFFFAOYSA-N 394.294 3.000 0 40 GFAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ccccc3OC(F)F)ccc21 5804994 NNNJPOZVAAUQHY-UHFFFAOYSA-N 390.346 2.848 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cc1n[nH]c(=O)c2ccccc12 6657429 QKRMYQFZPBRUKE-UHFFFAOYSA-N 393.403 2.547 0 40 GFAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCCN1CCOCC1)CO3 6760272 YJLSHAUJNUQTBI-UHFFFAOYSA-N 386.492 2.928 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)CCCC(C)C)C2=O)cc1 7278081 HCFPKVRVHFNYEH-VFNWGFHPSA-N 389.496 2.793 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)c1 7939870 MEGBRZMDJDYWCF-UHFFFAOYSA-N 388.464 2.990 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc2c(c1)CCC2 7990075 VLBBFLQZDANGOI-UHFFFAOYSA-N 384.451 2.858 0 40 GFAB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Cl)c1OCC(=O)O 8110944 LQSZWNPOSZCYQK-KEBDBYFISA-N 376.796 2.505 0 40 GFAB COc1cc(C)c(Br)cc1S(=O)(=O)n1nnc2ccccc21 8714915 WYWZDEHQZPXGGU-UHFFFAOYSA-N 382.239 2.748 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 8778924 LFOIGSXJWNYRMN-ZDUSSCGKSA-N 396.415 2.674 0 40 GFAB CCCOC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c1 8844145 UYZFRIIXZWVNDW-UHFFFAOYSA-N 387.461 2.556 0 40 GFAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 10233528 QATVWTBONJTCDF-GFCCVEGCSA-N 383.427 2.616 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1cccc(C(F)(F)F)c1 10251213 GXOKVQGVJNNHIT-UHFFFAOYSA-N 399.332 2.985 0 40 GFAB Cc1csc2nc(CN3C(=O)[C@H](C)N(c4ccc(F)cc4)C3=O)cc(=O)n12 11521090 LYXJTIJMAAFTMX-NSHDSACASA-N 386.408 2.561 0 40 GFAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCc2ccccn2)cc1 12589239 OHJGILXZVOUUKE-UHFFFAOYSA-N 383.477 2.760 0 40 GFAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccccc1N1CCOCC1 12737184 YZRDLNCGDRCPFE-MRXNPFEDSA-N 378.476 2.953 0 40 GFAB CCC[C@@](C)(NS(=O)(=O)c1ccc(Br)c(C)c1)C(=O)OC 12864076 OKHBTKASSQBLAD-CQSZACIVSA-N 378.288 2.768 0 40 GFAB O=C(Nc1cccc(F)c1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13734682 DAMJYNRLIAXERD-AWEZNQCLSA-N 377.441 2.513 0 40 GFAB COc1cc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc(OC)c1OC 16643376 UFWWFPNPRIYNQF-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(CCN(C)C)C3=O 16749915 WFXYLYSBCCXISF-IBGZPJMESA-N 378.428 2.914 0 40 GFAB Cc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c23)cc1 17042360 KCCQFJKVKIFVAP-UHFFFAOYSA-N 388.427 2.887 0 40 GFAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccn(C)n1 19017581 KORCGTCYBMTFEZ-HMXCVIKNSA-N 380.492 2.819 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1nc(C)cc1C 19499488 ZNFPWOGJKFQJCB-KRWDZBQOSA-N 397.479 2.920 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)n1 19572959 RAUMBXGHZARRDO-MSOLQXFVSA-N 396.539 2.635 0 40 GFAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)NCCc1ccccc1 19819083 CDQRWCNNJFFOTH-IBGZPJMESA-N 392.455 2.845 0 40 GFAB O=C(c1ccccc1)[C@H]([C@@H](c1cccs1)N1CCOCC1)N1CCOCC1 19863968 OYUZHUSQRQRGSA-UXHICEINSA-N 386.517 2.705 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccc(F)cc2)c(C)c1 20013167 POMLMALSKSMPCI-UHFFFAOYSA-N 378.469 2.688 0 40 GFAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 22609124 DMPCEGOONBUGJA-SFHVURJKSA-N 380.444 2.702 0 40 GFAB CCCOc1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1OCC 22693354 ZORFZBGVJABIAI-SFHVURJKSA-N 378.513 2.961 0 40 GFAB CCOCc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1 23149285 NNRSZYADSPOBIL-QGZVFWFLSA-N 390.505 2.984 0 40 GFAB Cc1ccc(CN2CCCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1 23243383 ZWDYLCMAZKUYMH-UHFFFAOYSA-N 375.513 2.944 0 40 GFAB NC(=O)[C@@H](c1ccccc1)N1CCN(c2ncnc3c2oc2ccccc23)CC1 23617002 GPQIQXVMNFPGSA-LJQANCHMSA-N 387.443 2.725 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2ccc(Cn3ccccc3=O)o2)nc1C 23750861 AEEFCLHVEODCOD-UHFFFAOYSA-N 387.417 2.684 0 40 GFAB CNc1snc(C)c1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 25217434 MSKRFXGHOLUQRV-UHFFFAOYSA-N 376.457 2.667 0 40 GFAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1 32072724 XGKSZSKSERSWSA-GFCCVEGCSA-N 389.814 2.587 0 40 GFAB COc1cc2ncn(CCC(=O)Nc3ccc(C(C)=O)cc3)c(=O)c2cc1OC 32097171 WMSLMGGHUGDZAJ-UHFFFAOYSA-N 395.415 2.645 0 40 GFAB C[C@H](NC(=O)c1cncc(Br)c1)c1cccc(NS(C)(=O)=O)c1 36394237 MDVPMKHBANIQOQ-JTQLQIEISA-N 398.282 2.707 0 40 GFAB CCc1[nH]c(C(=O)NCc2cccc(Cn3cccn3)c2)c(C)c1C(=O)OC 40157592 AXHFWQRATHWGDP-UHFFFAOYSA-N 380.448 2.847 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(C(C)=O)c1 40313341 XIYZIBVWVXOBLW-JOCHJYFZSA-N 391.427 2.827 0 40 GFAB biogenic COc1ccccc1-c1c2c(=O)n(-c3ccccn3)ccc2nc2nc(C)nn12 40398470 XSTKFCALHFHPLT-UHFFFAOYSA-N 384.399 2.807 0 40 GFAB CC1(C)CC(NC(=O)C(=O)Nc2ccccc2Br)CC(C)(C)N1 42645668 ILUWFMZBPZCCPP-UHFFFAOYSA-N 382.302 2.813 0 40 GFAB O=C(NCCCn1cccn1)N1CCCN(Cc2ccc(Cl)cc2)CC1 45712105 GJZXPMNTVZGRCD-UHFFFAOYSA-N 375.904 2.844 0 40 GFAB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 47238120 KOVGCMINVPPYRE-INIZCTEOSA-N 375.432 2.963 0 40 GFAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccccc4F)nc23)cc1 49008311 VYVJGCZWCTXHQO-UHFFFAOYSA-N 393.378 2.770 0 40 GFAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)c(=O)cc2OC)cc1OC 49407607 RMYRYLPWQSLHPB-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Oc3ccc(S(C)(=O)=O)cc3)ccc21 53224933 PDRBOBFOBQDAHR-ZDUSSCGKSA-N 387.457 2.649 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)C1 58010515 ANOGRMAOSNIZQI-BZUAXINKSA-N 389.562 2.731 0 40 GFAB CCOc1ccccc1NC(=O)[C@H](N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 58137293 HVYKZJYSRBKBDL-VQIMIIECSA-N 388.489 2.542 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(c2cccc(Cl)c2)CC1 58604877 XBPOTHQEGWQELD-UHFFFAOYSA-N 399.800 2.869 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)c1 70655983 NARVJQUZLOLWHO-KRWDZBQOSA-N 390.447 2.720 0 40 GFAB COCCn1ccc(=O)c(OCC(=O)Nc2ccc(Br)cc2)c1C 71282333 SUJCHPOTNCYNAH-UHFFFAOYSA-N 395.253 2.583 0 40 GFAB C[C@H]1C[S@](=O)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 72308388 NNDXZSFKSUMAJE-QZXCRCNTSA-N 388.537 2.561 0 40 GFAB CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)C1 72374035 LYBVMZOCDOOUGP-LJQANCHMSA-N 392.507 2.891 0 40 GFAB CSc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393176 LEIGAEDZWDWUEE-INIZCTEOSA-N 394.504 2.723 0 40 GFAB CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 79413403 GBYHFBZRCDNVPT-OALUTQOASA-N 375.513 2.865 0 40 GFAB C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(NC(N)=O)cc1 89920288 WRUOVZFVGLVHJN-STQMWFEESA-N 376.457 2.553 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(CCc2ccccc2)ccn1 95408783 GUIKJZYFSWEQEX-SFHVURJKSA-N 387.505 2.619 0 40 GFAB Cc1oc(CN(C)C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)cc1C(=O)O 95425073 XYUWVUVCRLZFHT-AWEZNQCLSA-N 382.482 2.582 0 40 GFAB CC(C)(c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1 95871153 LAUIXFSZFKWUCT-UHFFFAOYSA-N 388.249 2.956 0 40 GFAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1cnn(C[C@H]2CCCO2)c1 95953963 AHZPDHNAPMLNTR-LJQANCHMSA-N 384.480 2.932 0 40 GFAB O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 95964237 SQUIBVAUVJERJC-QMMMGPOBSA-N 386.684 2.577 0 40 GFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104282 WOVLKVURQRFWMM-UHFFFAOYSA-N 399.447 2.525 0 40 GFAB CCOc1ccc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)CC)CC3)cc1 96334568 SEYYKRKLOCKKCW-UHFFFAOYSA-N 395.506 2.502 0 40 GFAB CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 106585877 ICBUHAQYGBNMGZ-CYBMUJFWSA-N 395.431 2.769 0 40 GFAB 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)OC3)CC[C@@]12O 118913796 FLMSQRUGSHIKCT-ZTDKUMGZSA-N 390.520 2.575 0 40 GFAB in-vitro O=C1CCCc2cc(S(=O)(=O)Nc3ccc(-n4cccn4)cc3)ccc2N1 194145998 SJIFGRGMQXSDBC-UHFFFAOYSA-N 382.445 2.948 0 40 GFAB COC(=O)c1cn(C(=O)c2cccc(N(C)S(C)(=O)=O)c2)c2ccccc12 222639193 UVJFXRPCULBCDB-UHFFFAOYSA-N 386.429 2.512 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 222825475 FNMASKBLRYKYAT-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 223451369 XTGURYDJUQTBIJ-HXUWFJFHSA-N 384.476 2.800 0 40 GFAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 223460469 QRUWTKWCVJHWPR-FQEVSTJZSA-N 384.476 2.670 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)ccc1Cl 223835235 BLKWBFCIYKVAIF-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB Cc1nc2c(c(N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)n1)CCCC2 244975174 IEYIFSBXFQIJKS-UHFFFAOYSA-N 394.475 2.791 0 40 GFAB O=C(O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 247404045 OASJPWQLYVTQGY-PVFTVIPPSA-N 386.454 2.785 0 40 GFAB O=C(Cc1ccccc1F)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247869209 PZLTVEHMGWBCIC-QGZVFWFLSA-N 379.497 2.898 0 40 GFAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515600 MDNFTNZDUVDPFZ-VAMGGRTRSA-N 375.490 2.617 0 40 GFAB C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C[C@@H](C)O1 257218578 DDPODEIIOUTDCW-TUPKZILYSA-N 383.492 2.610 0 40 GFAB CC(=O)Nc1cccc([C@@H]2CN(C3CCOCC3)C[C@]23CCCCC(=O)N3)c1 257332759 XYNLQMULMRRZEY-RBBKRZOGSA-N 385.508 2.652 0 40 GFAB Cc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 306124773 BZACACACWPNDCQ-SFHVURJKSA-N 392.507 2.649 0 40 GFAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F 408605540 JEPTZZFBVUPISH-UHFFFAOYSA-N 380.485 2.677 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1C 408609369 SRYNWSYKVQCDSM-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCC(N)=O 408735234 OVNKDVPGHQJMFY-UHFFFAOYSA-N 385.445 2.815 0 40 GFAB Cc1nn(C)cc1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 547810169 UNKRUKXASQRXKP-UHFFFAOYSA-N 381.402 2.675 0 40 GFAB COc1ccccc1C1(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CCCCC1 559204491 YHUAMYNQUBWNCB-QGZVFWFLSA-N 385.508 2.913 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575614305 YXPRBXYQZGVVLK-HNNXBMFYSA-N 394.244 2.991 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575618769 WGCQYJRCQSCLDS-KXBFYZLASA-N 391.464 2.981 0 40 GFAB Cc1ccc(NC(=O)c2ccc(NC3CC3)nc2)cc1C(=O)N1CCOCC1 577319169 YUQBZHGJKPYIEI-UHFFFAOYSA-N 380.448 2.689 0 40 GFAB O=C(CCc1ccccc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147206 ZGRAZLPLWBSJIW-HNNXBMFYSA-N 376.254 2.852 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)n1 585147405 WQWBVRYJQZSWJJ-FQEVSTJZSA-N 396.491 2.614 0 40 GFAB COc1ccnc(N(C)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 622887292 RKNKQSHLIDUAPD-ZBFHGGJFSA-N 392.253 2.988 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@H]3C[C@@H](C(=O)O)c4ccccc43)c(O)nc2C1 653330347 DOLWBURTNCZNDF-CJNGLKHVSA-N 394.427 2.985 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@H](C(=O)O)c3ccccc3F)c(O)nc2C1 678988025 VZSAYMAAWWDEHD-INIZCTEOSA-N 386.379 2.637 0 40 GFAB COCC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)/C=C/c3cccs3)C[C@@H]12 1565555779 HGIMXBINPVMUIS-OMXWSADWSA-N 387.505 2.623 0 40 GFAB Cc1cccc2c1OC[C@@H](NC(=O)Nc1ccnc(OCC(F)(F)F)n1)C2 1662726495 YONLLIWFANPDKS-LBPRGKRZSA-N 382.342 2.851 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1 1889587186 MYPBLWCCHOKAEZ-UHFFFAOYSA-N 386.399 2.761 0 40 GFAB Cc1nc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cs1 2037840267 LAIIVDPZIYVZPB-UHFFFAOYSA-N 375.469 2.989 0 40 GFAB Cc1ccc(CC(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037985190 AEPNLOUXVSROIL-HSZRJFAPSA-N 393.487 2.747 0 40 GFAB COc1cccc(-c2noc(C(=O)NCCc3ccc(OC)c(OC)c3)n2)c1 1428155 XIPMKLPDYUTTER-UHFFFAOYSA-N 383.404 2.735 0 40 GFAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2414316 QUDLZXRYDTUMMH-IWCLSRSZSA-N 385.460 2.882 0 40 GFAB O=C(O[C@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3314500 AHQMPLLOOQADLV-SFHVURJKSA-N 379.478 2.920 0 40 GFAB O=C(c1cc2c(s1)CCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 3433207 SEXIVFOULHMSOL-UHFFFAOYSA-N 396.559 2.835 0 40 GFAB COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 4061873 TWOLFEWIKVSGFO-ARFHVFGLSA-N 377.481 2.909 0 40 GFAB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 4079384 NJQJMVSEJNFMJU-SNVBAGLBSA-N 381.479 2.772 0 40 GFAB O=C(NCCN1CCCCC1)c1cc2cc(Br)ccc2oc1=O 4106887 VKXQLBXMGCGRFL-UHFFFAOYSA-N 379.254 2.771 0 40 GFAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(N)cc2)c2cc(Br)ccc21 4123024 FMRUKOBNBGJKTC-GOSISDBHSA-N 389.249 2.858 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 4288783 QVHRNKZDOFBGRD-QMHKHESXSA-N 391.471 2.908 0 40 GFAB Cc1ccc(C2=NN(C(=O)CSc3nnnn3C)[C@H](c3ccco3)C2)cc1 4807758 FETKDWDQMIOLJT-HNNXBMFYSA-N 382.449 2.582 0 40 GFAB O=C(CSc1ccccn1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 4835365 QHOZPWHMMUCVHB-UHFFFAOYSA-N 377.491 2.597 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 4943349 GJOWINYDOGONRJ-CQSZACIVSA-N 382.416 2.848 0 40 GFAB CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc(C)c1C 5189790 NMLQXNCEHDUJCH-UHFFFAOYSA-N 381.475 2.954 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)c1cc(OC)c(OC)c(OC)c1 5938080 XRPLDEPNYWPZLJ-UHFFFAOYSA-N 392.477 2.552 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 6681265 KEVADHITAZZQCN-UHFFFAOYSA-N 398.466 2.816 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Cl 7098365 VTQBTUOQPSVIEN-UHFFFAOYSA-N 376.815 2.985 0 40 GFAB NC(=O)C1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 7133143 XFCYSRZNAMUKFL-UHFFFAOYSA-N 391.265 2.705 0 40 GFAB O=C(NC1CCCC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 7653900 YJETUNDAFJRJPG-KRWDZBQOSA-N 390.530 2.923 0 40 GFAB Nn1c(Cc2ccccc2F)nnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 8724163 YWADVFICJMWMNM-GOSISDBHSA-N 397.479 2.834 0 40 GFAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)NCc1ccc(F)cc1 8769692 VGHUHZWAUNVQMO-UHFFFAOYSA-N 395.434 2.906 0 40 GFAB O=C(CSc1nnc(Cc2ccccc2)c(=O)[nH]1)N1CCCc2ccccc21 9134254 JLPKRKMXMSEPDC-UHFFFAOYSA-N 392.484 2.827 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc2ccccc2[nH]1 9459836 XKSYFPWPHSAPCK-CQSZACIVSA-N 378.479 2.566 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(SC)c2)ccc1OC 10008905 XTDWHAVHUFFVAA-UHFFFAOYSA-N 380.491 2.968 0 40 GFAB O=C1N[C@@H](c2cccc(F)c2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859129 ONSSMENOOLOIFH-KEYYUXOJSA-N 382.313 2.930 0 40 GFAB COc1cc(NS(=O)(=O)c2cc(/C=C/C(=O)O)ccc2OC)cc(OC)c1 12548676 JAIMQKDQSUNONR-FNORWQNLSA-N 393.417 2.611 0 40 GFAB CCn1nnc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 12591243 XWCHXIOGQHRTEL-UHFFFAOYSA-N 383.496 2.706 0 40 GFAB CCCc1ccc(C(=O)COC(=O)c2ccc(C)c(S(N)(=O)=O)c2)cc1 12677464 DZEFRJOPZGPRJS-UHFFFAOYSA-N 375.446 2.635 0 40 GFAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 12812976 RGECDVGRSTUTDO-GFCCVEGCSA-N 386.477 2.958 0 40 GFAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 12968651 RUABCFBWDUXIDR-LBPRGKRZSA-N 388.445 2.710 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1Cl 13074353 RXBPCKQVUZJVCX-UHFFFAOYSA-N 398.843 2.688 0 40 GFAB O=C(NCCCN1CCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 13648921 GSCYRSNXPXBODT-UHFFFAOYSA-N 387.505 2.703 0 40 GFAB CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)cc1 14181308 BKVZGRROXHIHRC-UHFFFAOYSA-N 397.294 2.629 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3C)c2)cc1 14224871 WJLFEMGVHKNSIA-UHFFFAOYSA-N 384.461 2.999 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)OCc1ccc(-n2cccn2)cc1 14678747 JGINQUDPPMDNFP-UHFFFAOYSA-N 377.400 2.731 0 40 GFAB COC(=O)c1ccc(OC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(OC)c1 14680920 BSVBXNDSPXOCNB-CYBMUJFWSA-N 399.399 2.591 0 40 GFAB O=C(Nc1ccccc1O)C1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1 15043891 PVYSSOKJJWEKLN-UHFFFAOYSA-N 394.475 2.776 0 40 GFAB COc1cccc(Nc2nc(N(C)CCO)nc3c2cnn3-c2ccccc2)c1 16915313 TUDFWDDFCPKKDZ-UHFFFAOYSA-N 390.447 2.996 0 40 GFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@H]2C)C1=O 18099553 OVZDYBCEULMFSA-ZSDSOXJFSA-N 387.480 2.642 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc2nsnc12 19078987 PSOPFGGIJXMHFZ-UHFFFAOYSA-N 393.490 2.919 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 19291217 BRLJZNKXYAYNQY-IBGZPJMESA-N 390.422 2.718 0 40 GFAB NCCn1nc([C@H]2CCN(C(=O)c3csc4c3CCCC4)C2)c2cccnc21 19346706 KXEFCBKDNBQFKY-AWEZNQCLSA-N 395.532 2.960 0 40 GFAB COCCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 19451615 GXIAVSZYAKKVNV-UHFFFAOYSA-N 383.496 2.784 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)no1)C2 19452960 SGDGLDHWENTXEM-SFHVURJKSA-N 397.479 2.860 0 40 GFAB CCc1[nH]c(=O)c(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)cc1C 19521482 IADQVTUKJWOTNF-UHFFFAOYSA-N 397.475 2.889 0 40 GFAB CN(C)c1nccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19585818 TVGZWBKMCLLKJY-GOSISDBHSA-N 394.454 2.978 0 40 GFAB CCOCc1ccc(C(=O)N2CCc3nnc([C@H]4CCCCN4C)n3CC2)cc1 19706402 VBXAKXGIXCKEPB-LJQANCHMSA-N 397.523 2.670 0 40 GFAB COc1ccc(C)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22805094 XZQUDPHFHSDDAP-UHFFFAOYSA-N 395.503 2.695 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc2c1CCCC2 22880046 HOVKFNLTUGWQHZ-UHFFFAOYSA-N 383.473 2.633 0 40 GFAB CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908126 HNMVRRYFKVKOKJ-GOSISDBHSA-N 385.533 2.736 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(C)c(C)c3)C2=O)c1 23125752 PSHHJFGMIIAYME-MSOLQXFVSA-N 380.404 2.818 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(CCOc2ccccc2)CC1 23762095 RDNSYKPYTGQZDO-UHFFFAOYSA-N 386.926 2.787 0 40 GFAB CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OC 24301784 NBUJDXLKSYCLLM-UHFFFAOYSA-N 396.487 2.987 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 24537872 QHTZLWQGQCBJMV-OAQYLSRUSA-N 393.487 2.683 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 25212599 ZYQHKIZDEKPRSN-UHFFFAOYSA-N 386.423 2.878 0 40 GFAB O=C(C[C@H]1NC(=O)NC1=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 25792920 VXPUZQVSUSSZHK-CQSZACIVSA-N 391.786 2.595 0 40 GFAB CCCOc1ccccc1NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 25808916 GVRVGBMYYROEMU-SFHVURJKSA-N 395.459 2.967 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1F 30325354 XGSPHHPZPUDFNM-UHFFFAOYSA-N 378.469 2.909 0 40 GFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(OC[C@@H]2CCCO2)cc1 31350070 ZVAKYLDXTMYBMK-IBGZPJMESA-N 383.444 2.988 0 40 GFAB COC(=O)CCCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 32278772 XMJUKPGZRYKRRL-UHFFFAOYSA-N 396.490 2.574 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C(=O)N2CCOCC2)CC1 32797195 YULRVSHBDYWULK-HNNXBMFYSA-N 393.915 2.546 0 40 GFAB Cc1cc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)n2ncnc2n1 32853471 CVIAJOXPAWRVAW-UHFFFAOYSA-N 382.737 2.760 0 40 GFAB CCOC(=O)c1cnc(SCCC(=O)Nc2ccc3c(c2)CCC3)nc1N 32871133 CJPRYUHEEVFDGJ-UHFFFAOYSA-N 386.477 2.845 0 40 GFAB CC1CCN(C(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 33325331 MQNSIQRRYNXVJO-CQSZACIVSA-N 393.534 2.843 0 40 GFAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OCC(N)=O)cc2)cc1 36354419 HBKOLDSBENLFCR-KRWDZBQOSA-N 392.415 2.869 0 40 GFAB Cc1cccc(C)c1N1C(=O)C[C@@]2(CC(c3ccc4c(c3)OCCO4)=NO2)C1=O 40267408 FFADMHMKJQQMFC-QFIPXVFZSA-N 392.411 2.901 0 40 GFAB COC(=O)N1CCN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 41690398 VTXJJLTYZGRSCM-NRFANRHFSA-N 398.503 2.580 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)C1CCCC1 44885186 ARJDEMVZMVAODT-UHFFFAOYSA-N 382.501 2.769 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccnc(-n4ccnc4C)c3)cn2)n1 48308789 JZAPGLQTUHIIND-UHFFFAOYSA-N 387.447 2.703 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O 57427315 SWSSNEBXPZWSJI-UHFFFAOYSA-N 393.415 2.942 0 40 GFAB CCc1ccccc1NC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507280 PQYCIZOMOXIYOR-UHFFFAOYSA-N 388.431 2.836 0 40 GFAB O=S(=O)(N[C@@H](Cn1cncn1)c1ccccc1)c1cccc(Cl)c1F 58231539 BTAVEHGDXXNDTL-AWEZNQCLSA-N 380.832 2.790 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1ccc(NC(N)=O)cc1 58247190 PZEPWSNVLUMGTR-CJNGLKHVSA-N 384.436 2.642 0 40 GFAB CC(=O)[C@@H]1CC(C(=O)NCCCCN2CCC[C@H](C)C2)=NN1c1ccccc1 58324898 LRRWRQSKOUHGAF-UWJYYQICSA-N 384.524 2.839 0 40 GFAB COC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc1C 58365992 QAFLZJZFEANQLU-ZDUSSCGKSA-N 387.461 2.847 0 40 GFAB CCS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C1 62582008 MXILSTMWZZLWHT-NVXWUHKLSA-N 396.553 2.682 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CC[C@@H](N2CCCC2)C1 66193899 NIWSJGNZRANZNE-OAHLLOKOSA-N 378.904 2.857 0 40 GFAB CCN(C(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O)c1ccccc1 67300178 NXNVJIRYQSLOHB-UHFFFAOYSA-N 391.471 2.807 0 40 GFAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc2c(c1)OCCO2 70636149 WCTSDZIPIDMJDE-SFHVURJKSA-N 385.441 2.623 0 40 GFAB COc1ccc(NC(=O)c2ccc(NC(=O)c3nccnc3C(=O)O)cc2)cc1 71279871 FEWYDNXGPPXXAN-UHFFFAOYSA-N 392.371 2.688 0 40 GFAB Cc1ccccc1-c1cc(C(=O)N[C@@H]2CCC(=O)NC2)c2cnn(C(C)C)c2n1 72062915 QDEYZSJJTMVATE-OAHLLOKOSA-N 391.475 2.996 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@@H]1CCCO1)[C@]1(C2)NC(=O)c2ccccc2N1 72326503 QVXMXTCAIIWPSN-VCSUUASASA-N 383.492 2.660 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 72345965 REKAIGNFKCWGGJ-GOSISDBHSA-N 388.475 2.599 0 40 GFAB CCO[C@@H](C)c1noc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1 76722028 HDOKLJKEPBMABE-AWEZNQCLSA-N 379.505 2.763 0 40 GFAB Cc1cc(S(=O)(=O)N(CCN2CCOCC2)c2ccccc2)ccc1F 78555412 OJPWGPIBIUWPOS-UHFFFAOYSA-N 378.469 2.662 0 40 GFAB COc1ccc(OC)c(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)c1 79189974 HCAMMPUMCGZXBY-UHFFFAOYSA-N 380.400 2.622 0 40 GFAB biogenic Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 84011970 LAAHQDRFCKZMJG-PBHICJAKSA-N 390.553 2.734 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O 95972141 PVINYUUSUQGEJT-SJCJKPOMSA-N 381.881 2.904 0 40 GFAB COc1ccc(C(=O)N2CCO[C@H](c3noc(-c4ccc(OC)cc4)n3)C2)cc1 96000893 WTLLOFUREOQBAF-SFHVURJKSA-N 395.415 2.968 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 97379435 UTZUYKYIIUEWHI-QBKVNLCDSA-N 390.427 2.695 0 40 GFAB CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 97592931 KBOSBSQETFMNLV-MRXNPFEDSA-N 376.478 2.667 0 40 GFAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccncc2)C3)c(OCC)n1 100149663 HPBIAFFXIYBRAX-QZTJIDSGSA-N 398.507 2.789 0 40 GFAB COc1ccc(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 113962359 OSDLBSSQSDRACO-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217452692 SYDXGAHCWRYBOT-CYBMUJFWSA-N 384.498 2.833 0 40 GFAB NCC1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218472450 CFXYNICRUQHKIL-CVEARBPZSA-N 385.316 2.837 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)CC1 219249635 CDBAJJSGTJBCQM-UHFFFAOYSA-N 394.519 2.523 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1C 222454602 GMJBPZZMOCAKJT-UHFFFAOYSA-N 390.461 2.738 0 40 GFAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccccc1 222774630 CJHFXUGUXPSHJF-NQIIRXRSSA-N 396.487 2.778 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 222961772 KXFSENISYOSEEH-IBGZPJMESA-N 396.487 2.944 0 40 GFAB CCc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)c(OC)c1 224794714 RUOXBRFVHNDZOQ-UHFFFAOYSA-N 379.434 2.546 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225333511 ZEGOVMNCFPWWBX-AWEZNQCLSA-N 390.461 2.691 0 40 GFAB CCOCCCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 225981772 IRJCELRFRBBNND-UHFFFAOYSA-N 390.505 2.597 0 40 GFAB O=C(COc1ccccc1)N1CCN(C(=O)c2nc3ccccc3s2)CC1 226753050 LUQLOMKHXDYEMF-UHFFFAOYSA-N 381.457 2.660 0 40 GFAB O=C1CCCN1C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn2C1 247813216 CDFKDGHGVQDQEO-HNNXBMFYSA-N 376.863 2.930 0 40 GFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4F)CC3)n2)cc1 256047359 MBOYOWNHHYHWNP-UHFFFAOYSA-N 381.411 2.740 0 40 GFAB Cc1cccnc1Nc1cncc(C2CCN(CC(=O)N3CCCC3)CC2)n1 257341347 ZJYOUXQQXIWKLC-UHFFFAOYSA-N 380.496 2.725 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260772592 ZLRXPOUIROXWKH-KDOFPFPSSA-N 376.478 2.505 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1C 260793044 ISDRLDWWHVERNK-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 260921131 OMIFSMXLCBXSCY-NSISKUIASA-N 399.564 2.596 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccc(F)cc4)C[C@@H]2S3(=O)=O)cn1 306131170 JYCNHOQULPSQJQ-CTNGQTDRSA-N 397.475 2.982 0 40 GFAB O=C(Cc1ccsc1)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306143059 XSAJFGVGETWELY-RBUKOAKNSA-N 392.484 2.595 0 40 GFAB O=C(c1noc2c1CCCC2)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390832276 YIVIXTDLAWTFAU-KRWDZBQOSA-N 392.452 2.695 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408650264 ARBABJRIJJVMLF-RSRPTUBKSA-N 382.460 2.839 0 40 GFAB CCOCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 409137088 ZXPXJOWLAGONIX-UHFFFAOYSA-N 394.468 2.564 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3C(=O)O)CC2)cc1C 572967776 TVCNAOADADHFRI-UHFFFAOYSA-N 394.518 2.570 0 40 GFAB Cn1cc(-c2cncc(CNC(=O)C3(c4ccccc4)CCOCC3)c2)cn1 575414354 HBXDADOHUXQTEO-UHFFFAOYSA-N 376.460 2.847 0 40 GFAB O=C([C@H]1CCc2ccccc2O1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414863 MNFFHZWQIJAVKS-AEFFLSMTSA-N 391.514 2.830 0 40 GFAB Cc1ccc(C)c(CN2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c1 583618324 NZGBHJZAHDSOHE-FQEVSTJZSA-N 396.535 2.658 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254989 JUPNUZILPYZRMS-LBPRGKRZSA-N 391.399 2.750 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CC[C@@H]1C(=O)O 626751658 VCVAIDFOXQTQAU-KSSFIOAISA-N 396.447 2.586 0 40 GFAB NC[C@]12CCC[C@H]1CN(CC(=O)NCc1ccccc1COc1ccccc1)C2 652352038 XSEFJKSLXIGJSD-URXFXBBRSA-N 393.531 2.943 0 40 GFAB O=C(O)[C@H](c1ccsc1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 656764149 UPHVJKJGYQVNMT-HOTGVXAUSA-N 380.491 2.780 0 40 GFAB CCCn1ncc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1C 1615155672 HFJBPBLKCWZVQB-UHFFFAOYSA-N 396.491 2.640 0 40 GFAB Cn1nc(-c2cccs2)cc1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1775966437 DVVDUXNOKHBDRV-ZDUSSCGKSA-N 398.463 2.957 0 40 GFAB O=C(CN1CCC(Nc2cc(C(F)(F)F)ncn2)CC1)N1CCCCCC1 1888843031 HAZYHEMYUQLQDN-UHFFFAOYSA-N 385.434 2.774 0 40 GFAB O=C(c1cscn1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840443 MTEBREBIQLVWDL-IBGZPJMESA-N 389.452 2.711 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@@]3(C[C@@H](O)[C@H](c4ccccc4)NC3=O)C2)on1 2037873511 RXCHVRWAMOJUTH-ZWCUEREDSA-N 397.475 2.643 0 40 GFAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCc3ccccc3)CC2)cc1 2037928460 JOWOXMTVVYYWPE-HSZRJFAPSA-N 382.504 2.907 0 40 GFAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3)cc2c1 879931 QCPVTXNKUDDEMW-UHFFFAOYSA-N 383.473 2.728 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)o1 2720166 AXJVYMBIZHHKNL-CHWSQXEVSA-N 392.481 2.551 0 40 GFAB O=C(NC1CCCC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015332 MNOTVVFBKKNFEN-UHFFFAOYSA-N 381.476 2.895 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2 3477821 VCPZCCKKDYTPIA-UHFFFAOYSA-N 399.432 2.521 0 40 GFAB CC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1 4128461 MONLCBXVMFYVLV-UHFFFAOYSA-N 389.496 2.506 0 40 GFAB CCc1ccc(N2C(=O)N(c3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4393602 OFQCXCGNMDNYBD-ZWKOTPCHSA-N 386.473 2.870 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 4496226 OQEDPQXGBLQMTR-UHFFFAOYSA-N 389.408 2.987 0 40 GFAB CC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)C1CCCCC1 4848360 ZPNSNWRVVSEMJD-UHFFFAOYSA-N 394.541 2.938 0 40 GFAB CCCCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)cn23)n(C)c1=O 5251768 AZZWFXNKUVVWLU-UHFFFAOYSA-N 379.464 2.864 0 40 GFAB CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 5485759 DQBFILDKVVTKKW-SFHVURJKSA-N 391.475 2.702 0 40 GFAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)C3CCCCC3)n2N)cc1 6172724 QJVZKMVFADRFQQ-CYBMUJFWSA-N 389.525 2.939 0 40 GFAB CCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(Cl)c(N)c1)c1ccccc1 6422278 ZQBCJDVQUBQDDO-HNNXBMFYSA-N 375.812 2.666 0 40 GFAB COc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(F)cc2)N2CCCC2)cc1 6785995 HGLWGQNTCZOZJW-FQEVSTJZSA-N 399.466 2.517 0 40 GFAB CCc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccccc4)no3)c2N)cc1 6816869 ASHNOEBYRIHMBU-UHFFFAOYSA-N 389.419 2.778 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 7218529 VJJJGJABQFWWMA-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB O=C(CCc1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7540739 GBIQSMCLDTTYEZ-UHFFFAOYSA-N 398.937 2.867 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)NCc1ccccc1CN1CCCC1 8012548 CWSKSEYOMIUANY-UHFFFAOYSA-N 393.487 2.714 0 40 GFAB NC(=O)c1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8039758 JVTHVYJKDKFNCR-QGZVFWFLSA-N 396.443 2.689 0 40 GFAB O=C(COc1cccc2cccnc12)NCC(=O)Nc1ccc(F)c(F)c1F 8187384 UUXITVXSGPMMCP-UHFFFAOYSA-N 389.333 2.786 0 40 GFAB O=C(NCCO)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 8477051 MEYMCTQLVMPJPQ-UHFFFAOYSA-N 377.231 2.963 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1c[nH]nc1-c1ccc2c(c1)OCCO2 8748866 IOXAXHSDXVOOLV-UHFFFAOYSA-N 379.372 2.507 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc3cccnc23)n(C)c1 9048566 IVLZQLNJGOAQEE-UHFFFAOYSA-N 386.477 2.856 0 40 GFAB Cc1cc(C)n2nc(SCC(=O)c3cccc(N4CCCC4=O)c3)nc2n1 9548665 YNWKQZDQBQWUIW-UHFFFAOYSA-N 381.461 2.843 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 11210161 OEVKCDHHBVZMJS-KBPBESRZSA-N 377.462 2.743 0 40 GFAB CCOC(=O)c1sc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1C 11349383 OIFMUQIZROXYRL-UHFFFAOYSA-N 389.408 2.721 0 40 GFAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 11400290 YJOKGVZVNGHESQ-UHFFFAOYSA-N 390.530 2.620 0 40 GFAB CCOC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12121279 DVQVXXUVWCPKSP-OAHLLOKOSA-N 383.452 2.744 0 40 GFAB CN1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1=O 12145563 ZVNCHBJDNDIWQI-SUMWQHHRSA-N 384.455 2.619 0 40 GFAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1cnccn1)c1ccccc1O2 12275035 NYVAKPFNRGVZCI-KKSFZXQISA-N 380.448 2.501 0 40 GFAB O=C(NCc1cn2ccsc2n1)c1ccc(I)cc1 12587567 UGJZSVKFVIIDOF-UHFFFAOYSA-N 383.214 2.930 0 40 GFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)OC)ccc2Cl)cc1 12599184 WPOVKJNUMPGVSV-UHFFFAOYSA-N 384.841 2.783 0 40 GFAB CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)O[C@H](C)C2)sc2c1CCC2 12625005 MGPMHJCJCPPNSO-BETUJISGSA-N 380.510 2.851 0 40 GFAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(C(=O)O)cc(C)c1C 12733739 GMXHMQGIJXQRLQ-UHFFFAOYSA-N 377.418 2.613 0 40 GFAB CCn1c(SCc2nn3c(=O)cc(C)nc3s2)nc2ccsc2c1=O 12821789 JAZSBECAKHREIS-UHFFFAOYSA-N 391.503 2.543 0 40 GFAB COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1 12952406 BHMYIKDVQPDQMU-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)nn2)n1 13009115 FTSNKVWRPATCMR-DHZHZOJOSA-N 388.475 2.641 0 40 GFAB CCOc1ccc(-c2nnn(C[C@H](O)COCc3ccc(Cl)cc3)n2)cc1 13020377 WTDQYCJWONRVAL-KRWDZBQOSA-N 388.855 2.970 0 40 GFAB O=C(Cc1ccccn1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 13267848 VGBXVCLHTHGUHV-UHFFFAOYSA-N 375.432 2.588 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13680852 FMMDZUCZMZRWMY-LLVKDONJSA-N 379.309 2.623 0 40 GFAB COC(=O)CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OC)cc1 13942111 RUGSPSQYNOKBOP-ATVHPVEESA-N 382.441 2.843 0 40 GFAB COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)N(C)C)cc1 14119489 AHWMEPMJNWIUKN-LJQANCHMSA-N 399.491 2.560 0 40 GFAB CC(C)OCCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 14153392 OEPOCRJGXMZPCY-UHFFFAOYSA-N 397.324 2.691 0 40 GFAB O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)N2CCCCC2)CC1 14491029 ACNNJFBGKAWSFN-UHFFFAOYSA-N 381.476 2.969 0 40 GFAB CCCCN(C(=O)/C=C/c1ccccc1F)c1c(N)n(CCC)c(=O)[nH]c1=O 14822961 DNKHUCBZUCOHCE-ZHACJKMWSA-N 388.443 2.514 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2cc(OC)c(OC)c(OC)c2)c1C 15137133 SENLJYBSQATZGF-UHFFFAOYSA-N 390.436 2.764 0 40 GFAB CC(C)N(CC(N)=O)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 16419686 ZRODVHXLSJXZHS-AWEZNQCLSA-N 390.534 2.683 0 40 GFAB COc1cc(CN(C)CC(=O)Nc2sccc2C(N)=O)ccc1OC(F)F 16592092 BAWKMAHGFXHMRR-UHFFFAOYSA-N 399.419 2.528 0 40 GFAB COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850615 AQXSVZMUFXZCIB-NSHDSACASA-N 391.474 2.614 0 40 GFAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)NC[C@@H]3CCCO3)c(=O)c12 17130300 PPCCXHIJRGKRPQ-HNNXBMFYSA-N 383.473 2.729 0 40 GFAB CNc1nc([C@H]2CCCN(CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 19711511 DFVASYJEQXXESM-IBGZPJMESA-N 393.535 2.845 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)Cc3ccccc3)=C2)cc1 20366844 VCGHTGOUBAIZME-UHFFFAOYSA-N 383.473 2.517 0 40 GFAB COc1cc(OC)cc(OCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 20493617 PIXHAEQLWYNULN-CYBMUJFWSA-N 375.421 2.977 0 40 GFAB COc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1Cl 20737279 SOWRLPANXCBZQG-UHFFFAOYSA-N 386.843 2.641 0 40 GFAB COc1cccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4)cc3c2=O)c1 21024593 NARLPRMNGAZUPN-UHFFFAOYSA-N 389.415 2.514 0 40 GFAB CSc1ccccc1C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24768682 NGDDKIJDYPJFPR-UHFFFAOYSA-N 394.500 2.603 0 40 GFAB CC[C@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 25346235 DRJSMRSANRGNGY-FQEVSTJZSA-N 386.517 2.854 0 40 GFAB Cc1nc2cc(NC(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)ccc2o1 27153164 RAXFLBBEGAFYJH-UHFFFAOYSA-N 398.444 2.669 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)CC)c2)cc1 29542391 NWYIKTRIYVMFAN-UHFFFAOYSA-N 376.434 2.877 0 40 GFAB COc1ccc(CNC(=O)c2cn(-c3cccc(Br)c3)nn2)cc1 32815826 HLQXIVNJVZHPGB-UHFFFAOYSA-N 387.237 2.968 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC(c2nnc(C3CC3)o2)CC1 38518797 AYSZNSCDJIPHEZ-UHFFFAOYSA-N 389.477 2.517 0 40 GFAB Cc1sc2ncn(CC(=O)NCCOc3cccc(Cl)c3)c(=O)c2c1C 40113461 YBBDIDJMDKEBOM-UHFFFAOYSA-N 391.880 2.923 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 47174985 PNELEKIQCMAARY-GOSISDBHSA-N 390.443 2.584 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)c12 48275991 OGKWJADLBRCPSB-GOSISDBHSA-N 378.432 2.968 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccccc1SC[C@@H]1CCCO1 48288189 RDVFQYVBJBUPAR-INIZCTEOSA-N 395.488 2.863 0 40 GFAB COc1ccc(N(C)C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1OC 58014380 ZYMXRVLDKLRLHD-QGZVFWFLSA-N 382.460 2.758 0 40 GFAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCc2ccc(F)cc2)CC1 58061142 LXYHYKYTAHAQKK-UHFFFAOYSA-N 393.503 2.817 0 40 GFAB CN(C[C@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1)C(=O)OC(C)(C)C 58245158 CQJFDUJSHRTQGO-OAHLLOKOSA-N 376.501 2.867 0 40 GFAB CCC(=O)NCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 63701136 YQOWGHNGACTVSB-FQEVSTJZSA-N 388.489 2.766 0 40 GFAB O=C(NCCc1ccc2ccccc2n1)c1ccc2c(=O)[nH]c(S)nc2c1 69489973 CDPHXLGQUAAPQG-UHFFFAOYSA-N 376.441 2.733 0 40 GFAB O=C(CN1C(=O)COc2ccccc21)N1CCC(Nc2ccc(F)cc2)CC1 69949677 OUTRSKPQXBPBJB-UHFFFAOYSA-N 383.423 2.654 0 40 GFAB Cc1nc2c(c(C)c1CC(=O)N1CCCCC[C@@H]1c1cccn1C)c(=O)[nH]n2C 71103627 NDRUHWGAMGQHAS-GOSISDBHSA-N 395.507 2.903 0 40 GFAB CCC12CN3CC(CC)(CN(C1)C3c1cc3cc(OC)ccc3[nH]c1=O)C2=O 79192488 VZHJNKATHCFLCS-UHFFFAOYSA-N 381.476 2.542 0 40 GFAB biogenic CC(C)C[C@H](C(=O)N[C@H]1COc2ccccc21)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 84456763 MJTSXZARNDNXQG-CIRFHOKZSA-N 382.460 2.602 0 40 GFAB O=C(NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1F 89841040 XVGFTRRGTXBCGS-UHFFFAOYSA-N 393.827 2.843 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCc3cc(-c4ccco4)n(C)n3)CC2=O)cc1C 90607008 XLPQBHNYNHFHPU-INIZCTEOSA-N 392.459 2.966 0 40 GFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1ccc3c(c1)OCO3)C2 90609697 PNSIUTFLTCNHII-LLVKDONJSA-N 387.461 2.630 0 40 GFAB Cc1cc(N2CCCC2)ccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 103032697 QPLQXHLDIAAWOU-HDICACEKSA-N 381.476 2.875 0 40 GFAB CN(C)C(=S)/N=c1/ss/c(=N/C(=S)N(C)C)n1C1CCCCC1 104276832 CAOPUZXLQRIKTB-WXUKJITCSA-N 389.641 2.611 0 40 GFAB Cc1ccccc1NC(=O)CN1C(=O)C(=O)N([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 104677220 YCURWKYJHUEOCX-VGWMRTNUSA-N 383.448 2.549 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 222691747 XRLYHPVTLUZDDM-ZDUSSCGKSA-N 390.461 2.710 0 40 GFAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)[C@H]3CCOC3)CC2)n[nH]1 225562590 VMSAMRRMKCAGKG-AWEZNQCLSA-N 386.427 2.544 0 40 GFAB C[C@H](NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1)c1ccc(F)cc1 225944539 AUPFLJAUYZLPQJ-SJCJKPOMSA-N 382.432 2.823 0 40 GFAB COc1ccc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)cc1F 245131273 VLZPCRKXSMLVRG-UHFFFAOYSA-N 383.408 2.931 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1c(C)nc2sccc2c1=O 253472642 OBDUZSPWIPRUCT-UHFFFAOYSA-N 397.909 2.707 0 40 GFAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@@H](C)C4)ncc32)on1 253600259 LPTLSOANZWMVBV-OFQRWUPVSA-N 399.495 2.830 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 257267225 MGLHBHYBIFQEHF-UTKZUKDTSA-N 382.460 2.930 0 40 GFAB CN1CCN(C(=O)C2CC2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306126238 DQMNFCZEWHDPEC-IBGZPJMESA-N 379.439 2.761 0 40 GFAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCOCC1 408782835 KAHBJTNZXQFDNH-NRFANRHFSA-N 382.485 2.933 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 409206144 VNVWLRXMUYPXEK-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nn1[C@H](C)C1CC1 544096972 UYZJXJPFUGGLJX-CYBMUJFWSA-N 391.497 2.527 0 40 GFAB CC(C)Oc1cc(Br)cc(C(=O)N2CCc3nc(N)ncc3C2)c1 575082392 ZZHAJMMKOBPJRO-UHFFFAOYSA-N 391.269 2.807 0 40 GFAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)C2CCCCCC2)CCO1 585282543 GHOPQGYVWNOUCY-OAQYLSRUSA-N 392.471 2.648 0 40 GFAB O=S(=O)(Cc1nc2ccccc2n1C[C@]1(O)CCCOC1)c1ccccc1 656694606 SKFGRNARRTZMGJ-HXUWFJFHSA-N 386.473 2.552 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc(O)cc3)c(F)cc2N1 676849683 HUCZQXCYNIPDAX-QGZVFWFLSA-N 390.436 2.942 0 40 GFAB Cc1ncoc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615121593 NJQTUEGDTLCWDU-HXUWFJFHSA-N 387.411 2.550 0 40 GFAB Cc1ccc(CN2CC[C@H](O)[C@H](O)COCCCCOc3ccccc32)o1 1615157102 BPVLTSRCERCAIB-VQTJNVASSA-N 375.465 2.896 0 40 GFAB CCc1cnc(N2CCC[C@H](COc3ncc(Br)cn3)C2)nc1 1775995673 DMODNPWCCWUINH-ZDUSSCGKSA-N 378.274 2.887 0 40 GFAB COc1nccnc1N(C)CC1CCN(c2nccc(C(F)(F)F)n2)CC1 1776008939 SLKMKLYHZKVYAX-UHFFFAOYSA-N 382.390 2.647 0 40 GFAB Cc1nccc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)n1 1888897067 IGULXJWMHGQKDQ-UHFFFAOYSA-N 396.520 2.999 0 40 GFAB Cc1nc(N2CCOCC2)cc(N2CCN(c3nccc4sccc34)CC2)n1 1889191984 NNKPKICWSGEMLF-UHFFFAOYSA-N 396.520 2.558 0 40 GFAB Cc1ccc(CC(=O)O[C@@H]2OCCO[C@H]2OC(=O)Cc2ccc(C)cc2)cc1 1272627 VBZVKBHQKKBYJE-VXKWHMMOSA-N 384.428 2.874 0 40 GFAB O=C(O)CCCCCNC(=O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1 2099711 FBNKGCXFQVJKRJ-XDJHFCHBSA-N 396.443 2.924 0 40 GFAB biogenic Cc1c(C)c2ccc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc1=O 2110024 XPYCCVAUQDRZDB-OPAMFIHVSA-N 385.460 2.942 0 40 GFAB biogenic O=C(O)CCCCCNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 2197907 ZFURKWNCEHRKDT-UHFFFAOYSA-N 399.491 2.964 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1 2396566 MSNLQYYTEUIKND-UHFFFAOYSA-N 389.481 2.557 0 40 GFAB COc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(OC)c1OC 3191974 QJRCIDLMVGONAS-MRXNPFEDSA-N 398.415 2.619 0 40 GFAB NC(=O)NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3458543 DBJMDLBOOGZPOV-UHFFFAOYSA-N 378.837 2.984 0 40 GFAB O=C(NCc1ccco1)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4679664 YUBIEYTUZUVOJI-KRWDZBQOSA-N 388.782 2.974 0 40 GFAB Cc1nc2sc3c(SC[C@@H](O)CO)ncnc3c2c2c1COC(C)(C)C2 5246020 TYJYJGKTOFJNAB-JTQLQIEISA-N 391.518 2.845 0 40 GFAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(=O)n2ccsc2n1 5317078 HTOOIPJLTRWSDQ-UHFFFAOYSA-N 379.228 2.821 0 40 GFAB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)ccc1OC(C)C 6345893 RXYOGXNFMXXBDY-OQLLNIDSSA-N 381.388 2.544 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6578739 VWHHMRGSAUIKRH-UHFFFAOYSA-N 391.427 2.782 0 40 GFAB C[C@H]1CCc2nc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)sc2C1 6850134 ASYPCCVAYPQUMD-YUNKPMOVSA-N 398.488 2.674 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)CCc1ccccc1)CC2 7893769 VOHQIVHMGXIGSD-UHFFFAOYSA-N 383.444 2.765 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 8037512 BOUPJSROBDCIKR-INIZCTEOSA-N 396.443 2.929 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2cccs2)C1=O 8891483 MZZSYFOEDRJYNQ-CWTRNNRKSA-N 389.452 2.922 0 40 GFAB Cn1cc(C(=O)Nc2ccc3c(c2)OCO3)c2nn(-c3ccccc3)c(=O)c-2c1 9661359 BFWMGWOYDZFLFL-UHFFFAOYSA-N 388.383 2.657 0 40 GFAB Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1F 11164186 PNXNTWUZMUTEAO-UHFFFAOYSA-N 376.453 2.717 0 40 GFAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccccc2Cl)c2ccccc2O1 11213794 DLMAEVXHNJDHMC-GOSISDBHSA-N 388.851 2.739 0 40 GFAB COc1cc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc(OC)c1 12182750 HJJPIADWBKFCON-UHFFFAOYSA-N 398.507 2.582 0 40 GFAB O=C(NCCCn1cnc2ccccc21)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 12559498 VYFHGRHDCUVUPW-HXUWFJFHSA-N 389.459 2.777 0 40 GFAB COc1cc2ncn(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)c2cc1OC 12584855 HHCODBSNRHXJSS-OAHLLOKOSA-N 395.459 2.551 0 40 GFAB biogenic CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)c(F)cc2F)cc1 12941805 QTOHIRMWDZUVFI-UHFFFAOYSA-N 399.371 2.729 0 40 GFAB CCc1cccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 13005267 LRMYKOYIIWSSMG-GOSISDBHSA-N 385.489 2.951 0 40 GFAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 15389104 JXIBIEWJLMQOLN-GFCCVEGCSA-N 384.860 2.977 0 40 GFAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 15646513 NYDCAPBQNMLWQX-UHFFFAOYSA-N 399.410 2.911 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 16248511 ABZDKXUQTZMNQP-SECBINFHSA-N 384.807 2.969 0 40 GFAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC 18827562 GINCZMUDUDANDI-UHFFFAOYSA-N 378.450 2.597 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19079001 ISWFOHMFCFPULT-QAPCUYQASA-N 396.491 2.652 0 40 GFAB Cc1ccc2occ(CN3CCC(c4cc(=O)[nH]c(N(C)C)n4)CC3)c(=O)c2c1 19219827 NQNKHQYRZSEWPW-UHFFFAOYSA-N 394.475 2.630 0 40 GFAB CC(C)N1CCc2c(nc(C3CCN(C(=O)c4ccccc4F)CC3)[nH]c2=O)C1 19448504 ZHCVKZNWCPJPTG-UHFFFAOYSA-N 398.482 2.695 0 40 GFAB COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 19565855 SJVSYWYHKHNUSQ-HXUWFJFHSA-N 384.476 2.712 0 40 GFAB Cc1cc(C)n(CCCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(=O)n1 19572585 YYMRQAFFZALDCU-OAQYLSRUSA-N 399.491 2.925 0 40 GFAB Cc1nc2ccc(C(=O)N3CCc4nnc([C@H]5CCCN5C)n4CC3)cc2s1 19706302 MRWDNNFIGRLTMW-MRXNPFEDSA-N 396.520 2.661 0 40 GFAB CNc1nc([C@H]2CCCCN2C(=O)c2ccccc2)nc2c1CN(C(C)=O)CC2 19711585 VOWSHEXSFYNKTQ-LJQANCHMSA-N 393.491 2.790 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 21756811 NXEKOKFOWPDPBE-UHFFFAOYSA-N 378.425 2.552 0 40 GFAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3csc(S(N)(=O)=O)c3)o2)cc1 21839433 HNBKPLCHZGYBGA-SNVBAGLBSA-N 393.446 2.672 0 40 GFAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C(=O)OC)cc1)cn2C 22237270 OYIFPKAZZXKTOF-UHFFFAOYSA-N 380.400 2.976 0 40 GFAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC(O)CC3)c(O)n2n1 22855179 ATHSJYPDFZRCHE-HNNXBMFYSA-N 376.457 2.744 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCn2nc(C)cc2C)c1 24864712 GQADPMABXCFBBY-UHFFFAOYSA-N 378.498 2.559 0 40 GFAB CC(C)[C@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1 26302198 TYASHGGXIWPFDH-IBGZPJMESA-N 394.947 2.528 0 40 GFAB Cc1ccc2nc(COC(=O)c3cccc(OC[C@H]4CCCO4)c3)cc(=O)n2c1 26443188 WWVGOOFMLIJISZ-LJQANCHMSA-N 394.427 2.918 0 40 GFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 29562070 VMGKIHGQKQFIAD-AUUYWEPGSA-N 395.411 2.835 0 40 GFAB CC(=O)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 32493490 OICRBGODRKYLEQ-CYBMUJFWSA-N 375.425 2.976 0 40 GFAB Cc1cccc(C(=O)N[C@H](C)C(=O)OCC(=O)N2CCCc3ccccc32)c1 32670143 BPVMPCXRXXQHFC-MRXNPFEDSA-N 380.444 2.636 0 40 GFAB CCN(CCCNC(=O)CCNC(=O)c1cccc(C)c1)C(=O)OC(C)(C)C 32913546 SQBZCWOZJWMXQL-UHFFFAOYSA-N 391.512 2.878 0 40 GFAB Cc1nc(NCCNC(=O)Nc2ccc(F)cc2F)cc(-n2ccnc2C)n1 35598188 YQSKJZXASZCSTJ-UHFFFAOYSA-N 387.394 2.791 0 40 GFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1c(F)cccc1F 37170356 PUEOSXSMCFQUCD-NSHDSACASA-N 389.445 2.750 0 40 GFAB O=C(CCc1nc(-c2ccsc2)no1)NCc1cccnc1-n1ccnc1 44895511 PBZYEEDFQPPORZ-UHFFFAOYSA-N 380.433 2.628 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 48133729 IIFBKCCQMVRLPL-HNNXBMFYSA-N 391.435 2.545 0 40 GFAB COc1cccc(C[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)n2nnnc2C)c1 48287510 OPHREFYBUXHJFQ-HOCLYGCPSA-N 397.401 2.575 0 40 GFAB COc1ccc2oc(C)c(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)c2c1 48314440 UZVNRWXFXZWXLA-UHFFFAOYSA-N 398.415 2.553 0 40 GFAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(NC(=O)c2ccco2)cc1 48355975 IHDZEZCXFYCEHE-QGZVFWFLSA-N 391.431 2.721 0 40 GFAB O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@H](O)c1ccc(F)c(F)c1 49244274 SFFVHCJGANFOOD-KUHUBIRLSA-N 375.419 2.824 0 40 GFAB CC(C)n1ncc2c(C(=O)NC[C@@H]3COCCO3)cc(-c3ccccc3)nc21 54618963 UADNGRDYIUBQRJ-MRXNPFEDSA-N 380.448 2.824 0 40 GFAB COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@H](C)c1ccccc1C 55970643 XYWVVMVBMLICEC-CQSZACIVSA-N 376.478 2.679 0 40 GFAB CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 57171277 JBNORAMFRBCXDV-LJQANCHMSA-N 386.517 2.619 0 40 GFAB O=C(NCc1cccc(Cn2cncn2)c1)[C@@H]1CCCN1Cc1ccccc1 57174846 JCTZQMPIPOTWFS-NRFANRHFSA-N 375.476 2.607 0 40 GFAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486046 CEQKGRLMRDRVNN-UHFFFAOYSA-N 399.516 2.929 0 40 GFAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(C)[nH]c2c1=O 57521994 WLSQGZLDPROYNA-UHFFFAOYSA-N 386.433 2.512 0 40 GFAB CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N[C@@H](C)c3ccccc3)n2)c1 58070078 UYYJXASIQTXLNW-HNNXBMFYSA-N 393.447 2.783 0 40 GFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc2c(c1)OCCCO2 58357829 DHBOFHKHFCGIBO-IBGZPJMESA-N 382.460 2.651 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(F)cc2F)c1=O 64604811 AJEOAVNURJWBRB-UHFFFAOYSA-N 398.369 2.786 0 40 GFAB Cc1ccc(N2CCC(CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 70922772 YNCXRPGIXWXRAM-UHFFFAOYSA-N 398.891 2.772 0 40 GFAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1F 71980404 PRXOJUUGCLXGTD-OAHLLOKOSA-N 384.835 2.607 0 40 GFAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)c(CO)c3)cc2c1 72396189 YXXPVYWATAVRLW-FQEVSTJZSA-N 393.487 2.902 0 40 GFAB O=C(Nc1ccc(F)cc1F)N1CCN(c2ccc(-n3cccc3)nn2)CC1 77101387 YXGGXNLBUQYJKL-UHFFFAOYSA-N 384.390 2.900 0 40 GFAB COc1ccc(C[C@@](C)(O)CNC(=O)C2(c3ccccc3)CCOCC2)cc1 77184745 JDOCHSDBCSLNQN-JOCHJYFZSA-N 383.488 2.853 0 40 GFAB COC(=O)c1cc(C(=O)N[C@@H](C)CNc2ccccc2)n(-c2ccccc2)n1 79100583 AYKKLNGERMEXSJ-HNNXBMFYSA-N 378.432 2.889 0 40 GFAB CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cnc(Cl)c(C)c1 79112636 ISQFETHLCHDMEW-UHFFFAOYSA-N 389.905 2.673 0 40 GFAB CC(C)c1ccc(OCC(=O)N2CCCSC[C@H]2CN2CCOCC2)cc1 90609090 GBVUOWXDZZGNSH-LJQANCHMSA-N 392.565 2.855 0 40 GFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)NCc1c(F)cccc1F)C2 90609717 WQVMRWAQOKBFQT-LLVKDONJSA-N 393.459 2.857 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)o1)c1cccs1 95939904 RAIHKZXWWZJDLC-VIFPVBQESA-N 379.301 2.685 0 40 GFAB Cc1cc(C(=O)N2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)no1 96146887 XUPNQHZUOHAWJG-UHFFFAOYSA-N 382.445 2.933 0 40 GFAB COC(=O)c1nc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)sc1C 96232179 KLYZLXQPSJDXOT-CYBMUJFWSA-N 389.481 2.500 0 40 GFAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccccc2F)C3)c(OC)n1 100149439 DNBJCXMGEJKEOP-HOTGVXAUSA-N 387.455 2.753 0 40 GFAB COc1ccc(C(=O)NC[C@H]2CC[C@H]([C@H](NC(C)=O)c3ccccn3)CC2)cn1 100750176 WXCYYCLLMXWUSE-FVJLSDCUSA-N 396.491 2.899 0 40 GFAB C[C@H](Nc1ncc2c(=O)n(-c3cccc(F)c3)c(=O)[nH]c2n1)c1ccc(F)cc1 102331723 QLHLRQLDZOSNHD-NSHDSACASA-N 395.369 2.920 0 40 GFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 107134022 MHRROHGZMWVKFE-YESZJQIVSA-N 394.512 2.875 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655318 KKBZRDREUPCSBU-OAHLLOKOSA-N 380.448 2.980 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H]1CCCO1 217638666 MWKDVJCHNKCXJL-AWEZNQCLSA-N 376.434 2.777 0 40 GFAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1 218889659 RYFACNYNMQJVNV-UHFFFAOYSA-N 384.432 2.957 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(OC)cc2)cc1 222873040 VPKCIKSSEGJWNA-UHFFFAOYSA-N 390.505 2.979 0 40 GFAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223125255 UPYIGIVFUPXPMH-IAGOWNOFSA-N 388.562 2.756 0 40 GFAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223266946 YFFQGDQJAJZNJM-NRFANRHFSA-N 398.503 2.544 0 40 GFAB CCc1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2OC)ccc1OC 223689269 SFRGZVMTYBPKTK-UHFFFAOYSA-N 379.434 2.854 0 40 GFAB CC[C@H](C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1)c1ccccc1 225601654 LFNRDEHQMVFEJT-IBGZPJMESA-N 380.492 2.698 0 40 GFAB O=C(NC[C@H](O)c1csc2ccccc12)C(=O)Nc1cc(F)ccc1F 225698175 UZOHYZNKHNNYQG-HNNXBMFYSA-N 376.384 2.968 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(F)cc2)cc1C 226060535 PLMMGGQOWLAROO-UHFFFAOYSA-N 394.468 2.816 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@H]3C1=O 248142576 CJFNYVWELBPKSN-GKAYAJSDSA-N 398.478 2.902 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccc(OC)cc2)[C@@H]1c1ccccc1 257289932 QAVRKUXJMVROCR-CTNGQTDRSA-N 382.460 2.548 0 40 GFAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1cc(-n2cccn2)ccc1Cl 257290547 QDKBTRVBHWWRJN-UHFFFAOYSA-N 379.800 2.784 0 40 GFAB C[C@]12CC[C@@H](CNC(=O)CCC(=O)O)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2 257319681 VTPIYITVMIMBDH-NXQKYAITSA-N 389.492 2.850 0 40 GFAB Cn1ccnc1-c1nccnc1C1CCN(Cc2cccc(C(=O)O)c2)CC1 257320077 VVHDBMXHOCQADC-UHFFFAOYSA-N 377.448 2.955 0 40 GFAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CCOC)CC1)c1ccccc1 257344353 ZWVRPRDFITVBRD-UHFFFAOYSA-N 384.480 2.819 0 40 GFAB CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(COC3CCCC3)cc2)C1 269826019 BJJRLWKWKYNRNU-INIZCTEOSA-N 395.525 2.549 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 408624310 GSNYPMRLQLAHDH-HNNXBMFYSA-N 378.469 2.729 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709955 ZWZMTINXVDAEFT-RHSMWYFYSA-N 383.448 2.843 0 40 GFAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 501812051 DIAMQSXVRSOGEV-RTBURBONSA-N 395.507 2.758 0 40 GFAB CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)c2C1 556773783 SAMZDVAOFITZJN-DYVFJYSZSA-N 394.397 2.615 0 40 GFAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)[C@H]2Cc4ccccc4O2)C3)n1 575404569 OJNRSQFUNQLKTG-PZJWPPBQSA-N 394.471 2.670 0 40 GFAB C[C@@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)c1ccc(-c2ccncc2)cc1 583118585 XCJGEFLTTKMJPY-OAHLLOKOSA-N 389.459 2.671 0 40 GFAB CC(=O)N1CCC(N2CCC(O)(COc3cc(C)ccc3Cl)CC2)CC1 585280695 AANHIMRQVZBSTK-UHFFFAOYSA-N 380.916 2.865 0 40 GFAB CC(C)c1ncsc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C(C)C 606444971 YURMKFCKFJKCIQ-MLGOLLRUSA-N 375.498 2.794 0 40 GFAB CCn1cc(S(=O)(=O)NCC2(Cc3ccc(Br)cc3)CC2)cn1 657152701 ZEJGLJYRNUQQNZ-UHFFFAOYSA-N 398.326 2.967 0 40 GFAB Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cn1 681287077 CGRPIQOVTLDIFO-SNVBAGLBSA-N 390.328 2.812 0 40 GFAB O=C1COc2ccccc2CC=CC[C@@H]2[C@@H](CCCN2C(=O)c2cncs2)N1 1615123243 HHIQKOOETYJSHR-IAGOWNOFSA-N 397.500 2.814 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 1615158354 MGXRJJGEVOZHJZ-QHCPKHFHSA-N 394.471 2.662 0 40 GFAB Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(c2ccccc2)CC1 4246917 WPHPKEVONSNRCT-UHFFFAOYSA-N 393.516 2.705 0 40 GFAB CCCCCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 6597009 CJRLJVVCTJHOQC-UHFFFAOYSA-N 377.304 2.522 0 40 GFAB CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nn1C 8635455 WEJCDYDFLIFNOL-KSZLIROESA-N 394.585 2.585 0 40 GFAB biogenic,in-vitro COc1ccccc1CCNC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 1428903 IDTNXMUAXOCKGT-UHFFFAOYSA-N 383.404 2.735 0 40 GFAB biogenic CNS(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)cc(C)c1C 12590550 RWRDHCPUBCOSQO-UHFFFAOYSA-N 399.516 2.986 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC 26392603 HEUCQHPBKBVUQW-ZDUSSCGKSA-N 377.462 2.988 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472850 PYKRKEKSMWINQJ-AWEZNQCLSA-N 399.878 2.780 0 40 GFAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O 29645170 FFALLPZFPZSNSW-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 26407082 ULMORPWJYUZHIC-HNNXBMFYSA-N 382.416 2.619 0 40 GFAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c(C)c12 44723580 POSOETMGGITMLU-LBPRGKRZSA-N 395.550 2.770 0 40 GFAB CN1CCN([C@@H](CNC(=O)COc2ccccc2)c2ccc(Cl)cc2)CC1 27662221 MTJWZBZTVPVYFX-FQEVSTJZSA-N 387.911 2.824 0 40 GFAB CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)occ(CN3CCOCC3)c2=O)C1 101342480 PVTHFWUNDRMVNH-IERDGZPVSA-N 376.497 2.578 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc21 12751873 DLDVDXIRTLIMFJ-AWEZNQCLSA-N 381.432 2.849 0 40 GFAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ncc(C)s1 10556039 VWCGTZTXPHDEJN-ZDUSSCGKSA-N 379.507 2.950 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1coc(-c2cccs2)n1 12767896 ABKOYAHVLOLKJB-UHFFFAOYSA-N 380.429 2.889 0 40 GFAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 3336275 XRVQVWFOJBUHLP-LLVKDONJSA-N 396.852 2.896 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2cccc(Cl)c2)n1 95480267 JUHVSDQPBRNDLM-UHFFFAOYSA-N 383.835 2.889 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3cccc(F)c3)CC2)c1C 12986420 VPOZNGXIWWOKAA-UHFFFAOYSA-N 383.467 2.768 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)O2 64988436 BMDVEIQHHAEJCY-KXBFYZLASA-N 388.489 2.790 0 40 GFAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)[C@H]3CCCO3)cc2c1 9235325 GQCFCAGLMIYDKW-HXUWFJFHSA-N 377.444 2.939 0 40 GFAB COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2c1 5274555 HNUPGNKAUVIITP-HXUWFJFHSA-N 377.444 2.949 0 40 GFAB O=C1O[C@@H](CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc21 14180985 SMROFVZOXXGVTD-LPHOPBHVSA-N 399.468 2.504 0 40 GFAB COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N(C)OC 14170209 FMWDYFJIDQOYRI-UHFFFAOYSA-N 382.413 2.577 0 40 GFAB CCOc1ccc(C(F)(F)F)cc1NC(=O)NC[C@@H]1CCS(=O)(=O)C1 67584321 BUTNJTZAUPEYFR-JTQLQIEISA-N 380.388 2.660 0 40 GFAB COc1ccc(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nn[nH]n2)c(OC)c1 9434366 KBCFDEUEDFREPD-KRWDZBQOSA-N 381.436 2.799 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)nc1n2CCCCC1 7725410 KWBASCVYKCPKOY-UHFFFAOYSA-N 388.427 2.997 0 40 GFAB COc1ccccc1-n1nnc(C(=O)Nc2ccc(Br)cc2)c1N 9576091 IEWVYYZXYJJAKC-UHFFFAOYSA-N 388.225 2.873 0 40 GFAB O=C(Nc1ccccc1)Nc1cccc2c1CCN(C[C@@H](O)Cn1cccn1)C2 68860744 OOALVXNKUAFVFQ-LJQANCHMSA-N 391.475 2.946 0 40 GFAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H](C)CC3)cc(C3CC3)nc21 68820666 SUDPJBOVYPHFOI-CQSZACIVSA-N 398.507 2.880 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8257696 VINOGKJLRIQNPW-VIFPVBQESA-N 384.465 2.779 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCOC)cc1 20958545 SIAHLAUOGLGSDS-UHFFFAOYSA-N 392.477 2.652 0 40 GFAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCCc1c[nH]cn1 8791950 GVERLFBEFPSFSE-UHFFFAOYSA-N 389.411 2.921 0 40 GFAB biogenic CS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 9853401 CSICTUYAXOKISY-UHFFFAOYSA-N 390.530 2.668 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCC2)cc1Cl 408597953 WYKNFBGLOQVSFY-LBPRGKRZSA-N 388.917 2.854 0 40 GFAB O=C(NCc1ccccc1)c1cc(N2CCC[C@@H](N3CCCC3=O)C2)ccn1 95958650 ANAIUYRGSRMDEP-LJQANCHMSA-N 378.476 2.603 0 40 GFAB CCOC(=O)Nc1cc(S(=O)(=O)NCCc2ccccc2)ccc1OC 408586296 NENXDKFUPKDREE-UHFFFAOYSA-N 378.450 2.785 0 40 GFAB CC[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccccc1 216379045 QZWQGCDSMKOJHN-INIZCTEOSA-N 376.478 2.729 0 40 GFAB CCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408591934 MHSOPCBCJOOINY-OAHLLOKOSA-N 382.526 2.981 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)NCCc2ccc(OC)cc2)ccc1OC 408697704 LFUGMXYFOWGDGO-UHFFFAOYSA-N 392.477 2.573 0 40 GFAB CCN(CC)C(=O)CN(C)C(=O)c1ccccc1OCc1cn2ccccc2n1 32716110 ZMVNQJDZRYOYHX-UHFFFAOYSA-N 394.475 2.854 0 40 GFAB C[C@@H](NC(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)c1nc(C(F)(F)F)n[nH]1 1563233413 WAKFFNCAHPQSIY-GLEZIHRCSA-N 398.345 2.661 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 38772805 FCAVCCZILDQNRB-GOSISDBHSA-N 375.494 2.567 0 40 GFAB COC(=O)c1c(SCC(=O)Nc2ccccc2C(C)C)nc(=O)[nH]c1C 32747178 IJOUIHTXBDWTBB-UHFFFAOYSA-N 375.450 2.719 0 40 GFAB CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 34886369 QWWXLHXGLZLCQL-SFHVURJKSA-N 376.460 2.549 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 409370491 RTHYOFDCEZDYLS-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB O=C(/C=C/c1ccccc1Cl)N1CCC(=O)N(CCN2CCCC2)CC1 12470964 VYYHLUFEHNXWGI-BQYQJAHWSA-N 375.900 2.510 0 40 GFAB CCn1nccc1C1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 562731175 MIDIFFYHDZUQFU-SFHVURJKSA-N 399.470 2.737 0 40 GFAB COc1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c(OC)c1 225220229 REURVLPCJXIQRI-UHFFFAOYSA-N 387.505 2.924 0 40 GFAB COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C 225930216 FHJVVHKYRVBNBX-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224112799 YKWZMYRNDKNPAX-UHFFFAOYSA-N 398.887 2.899 0 40 GFAB CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1Cl 224247412 OHWQSHMXFNGFNA-UHFFFAOYSA-N 382.869 2.923 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)cc12 89568219 BCJKYIGOBZEUIQ-SFHVURJKSA-N 387.447 2.827 0 40 GFAB Cn1cc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)cn1 514289983 SGECRAWDJRZHDC-QNWVGRARSA-N 396.535 2.793 0 40 GFAB biogenic,in-vitro COc1cc(N2CCC[C@@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)ncn1 96216566 RORZJSWTPWTBNA-JOCHJYFZSA-N 395.507 2.684 0 40 GFAB C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCC2(CC1)NC(=O)NC2=O 584908665 MRFQWOVAZPZSDQ-MDZDMXLPSA-N 382.247 2.597 0 40 GFAB Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)CNC(=O)OC(C)(C)C)C3)ccc12 257281943 ORQAPYKXRHPNGT-CQSZACIVSA-N 387.484 2.507 0 40 GFAB O=C(Nc1cnn(C2CCOCC2)c1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 96123354 BVPVCIILUWZUQO-UHFFFAOYSA-N 381.392 2.606 0 40 GFAB O=C(c1ccc2oc(O)nc2n1)N1CCC(c2ccc3cccnc3n2)CC1 616700994 RYXJOKLNWXRXSN-UHFFFAOYSA-N 375.388 2.891 0 40 GFAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(-c2ccccn2)c1 623132949 PWGPCNWHPRUPOH-RTBURBONSA-N 377.448 2.812 0 40 GFAB Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3c(F)cccc3F)cs2)n1 90609396 MUXNXAJIPMBIDI-UHFFFAOYSA-N 398.460 2.745 0 40 GFAB O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(O)nc(N3CCOCC3)nc2N1 670416111 MAJRWPLSNXEWMK-LLVKDONJSA-N 394.353 2.512 0 40 GFAB CCOC(=O)[C@H]1CCc2sc(NC(=O)CCc3c(C)nn(C)c3C)nc21 49026473 LMSAYPBLLQQJLO-ZDUSSCGKSA-N 376.482 2.658 0 40 GFAB Cc1ccccc1CN(C)C(=O)COC(=O)[C@H]1CCCCN1Cc1cccnc1 97164516 NYHBEWNEEDWBBQ-OAQYLSRUSA-N 395.503 2.946 0 40 GFAB CCn1c(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cnc1SC 12116811 TZXSZNLGHQFYKC-UHFFFAOYSA-N 375.494 2.837 0 40 GFAB COc1ccc(CN(Cc2cnc(C)n2C)C[C@@H]2CCCO2)c(OC)c1OC 12147076 DPEHSKVUFRLFGS-SFHVURJKSA-N 389.496 2.936 0 40 GFAB Cc1ccc(Oc2ccc(CNC(=O)[C@@H]3C=CCN3S(C)(=O)=O)cc2)cc1 12205249 DPTMUZPZGYLSFI-IBGZPJMESA-N 386.473 2.604 0 40 GFAB NC(=O)[C@@H]1CN(c2nc(-c3cccs3)nc3sc4c(c23)CCCC4)CCN1 12999266 SXWYXHUOINXLLF-LBPRGKRZSA-N 399.545 2.562 0 40 GFAB Cc1cc(Br)cc(C)c1N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 16741202 RSAOXPKCAIFZMO-QWRGUYRKSA-N 375.313 2.720 0 40 GFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)C(C)C)CCO1 19529215 WIUYKGBHCICWOW-QHCPKHFHSA-N 395.503 2.681 0 40 GFAB O=C1CO[C@@](c2nccs2)(C2CCN(Cc3ccccc3F)CC2)CN1 19696655 DQRWERLFBXQEEX-LJQANCHMSA-N 375.469 2.536 0 40 GFAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)Cn3cccn3)CC2)C1 19712736 RWDQUGSYQMQTGM-PMACEKPBSA-N 382.508 2.774 0 40 GFAB COc1ccc(-c2ccnc3cc(C(=O)N[C@@H](C)c4cnn(C)c4C)nn23)cc1 19716585 SJDWTLVREHXHFL-ZDUSSCGKSA-N 390.447 2.938 0 40 GFAB c1ccc(-c2n[nH]nc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 12086114 HMJZTQRQAVYPCL-UHFFFAOYSA-N 399.502 2.952 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)Cc2ccc3c(c2)OCCO3)on1 12337694 ZAMPZHVGEVEEIF-UHFFFAOYSA-N 394.431 2.721 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)c(O)c(C)c4)C[C@H]32)c(OC)n1 19570052 KLUCMQHPFRJXLS-AQOAWAETSA-N 399.491 2.546 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nc([C@@H]4CCN(C)C4)ncc3C1)CCCC2 19581292 QMJOJWMQIYAMEY-OAHLLOKOSA-N 380.492 2.874 0 40 GFAB COc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1 2635340 OETXAPMIPBUPOF-MOPGFXCFSA-N 390.443 2.620 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 10995329 PNCKLFOTQBWVHX-UHFFFAOYSA-N 398.484 2.899 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)C(=O)Nc2cc(C)on2)nc1 7189678 AQPXTKIZNZHVDQ-GFCCVEGCSA-N 398.510 2.528 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)COc4ccccc4F)C[C@@H]3C2)nn1 1888883424 OMVJLAPTAUUQCX-HOTGVXAUSA-N 398.482 2.887 0 40 GFAB O=S(=O)(c1ccccc1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238957156 YBTZKLYNJCFXDH-CYBMUJFWSA-N 383.267 2.686 0 40 GFAB Cc1ccc(CC(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037985191 AEPNLOUXVSROIL-QHCPKHFHSA-N 393.487 2.747 0 40 GFAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)c4c(C)nn(C)c4C)C3)C2)n1 2056224349 HBMZMUGLKKYDNK-OAQYLSRUSA-N 382.512 2.658 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2c1 2483652 LNDKTVDYDXBRQY-UHFFFAOYSA-N 390.442 2.723 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCc1ccccc1 4165919 ZGRRSTNFVWAWOD-UHFFFAOYSA-N 393.834 2.552 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4497783 UYUGHYMWQLYGEF-OAHLLOKOSA-N 392.864 2.626 0 40 GFAB CCc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4F)c3n2)cc1 4518714 DBZBEYQTBYOLKW-UHFFFAOYSA-N 377.379 2.576 0 40 GFAB Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc12 4629528 RRLJDYZJUNOATK-UHFFFAOYSA-N 397.500 2.656 0 40 GFAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(OCC)cc2)n1 7420215 XYTKHYIHXNWJKZ-UHFFFAOYSA-N 381.436 2.868 0 40 GFAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O 9828205 VKAJMUWHBPDKNG-UHFFFAOYSA-N 380.853 2.995 0 40 GFAB COc1ccc(-c2cnc(S(=O)(=O)CC(=O)Nc3ccc(C)cc3)n2C)cc1 9828773 LVPHUELMIGIPJQ-UHFFFAOYSA-N 399.472 2.817 0 40 GFAB COc1ccccc1C(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775966262 YTRWNEGLOMMZHG-UHFFFAOYSA-N 381.476 2.683 0 40 GFAB O=C(Cc1c(F)cccc1Cl)NCC1(N2CCOCC2)CCSCC1 1775973378 HQFOMWALFODGMN-UHFFFAOYSA-N 386.920 2.736 0 40 GFAB O=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 42383167 MAFSCKITPXAVKZ-UHFFFAOYSA-N 386.399 2.669 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCO4)CC2)c(C)o1 42382537 NXDFPMFWZKWZCQ-QZTJIDSGSA-N 396.443 2.713 0 40 GFAB O=C1[C@H](N2CCC(COc3cccc(C(F)(F)F)n3)CC2)CCN1C1CC1 585533984 MSWVRRSVHVVSSU-OAHLLOKOSA-N 383.414 2.955 0 40 GFAB O=C(CC(c1ccccc1)c1ccccc1)N1CC(CN2C(=O)CCC2=O)C1 618255956 LHLWGPATVMXSEE-UHFFFAOYSA-N 376.456 2.816 0 40 GFAB CCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 40082164 NTWYJQMOOUXLOX-UHFFFAOYSA-N 376.478 2.947 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccc(N2CCCCC2)nc1 40120892 FTWOMJOVLJYLRP-UHFFFAOYSA-N 396.495 2.625 0 40 GFAB Nc1cc(OCc2ccccc2)c(C(=O)NCCN2CCOCC2)cc1Cl 31571450 BYILAFYHQWADTR-UHFFFAOYSA-N 389.883 2.563 0 40 GFAB COC(=O)c1cc(NC(=O)CCn2cnc3ccccc32)cc(C(=O)OC)c1 32753180 SMKRIODXTVZSCZ-UHFFFAOYSA-N 381.388 2.638 0 40 GFAB COc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1S(=O)(=O)N(C)C 32739348 BOGDJRDFWDYILW-UHFFFAOYSA-N 390.505 2.835 0 40 GFAB COc1ccc([C@H](NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C2CC2)cc1 102426600 QPDTXUORMNYSHY-CMKODMSKSA-N 384.476 2.828 0 40 GFAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)n[nH]2)s1 32937048 KMWRPCHYWXYNGS-UHFFFAOYSA-N 382.493 2.846 0 40 GFAB COCCN(Cc1cccs1)C(=O)CN1C(=O)CSc2ccccc21 52843724 RBNROGYRSVUNDL-UHFFFAOYSA-N 376.503 2.862 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2cncc(Br)c2)N(C)C)cc1 3422527 OKLINPZPAOUHLX-MRXNPFEDSA-N 378.270 2.885 0 40 GFAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 3464663 SJEKSCYYZOBTTP-IBGZPJMESA-N 395.406 2.504 0 40 GFAB Cc1c(NS(=O)(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2)n1C 3532587 SCUINCPKUFORNL-UHFFFAOYSA-N 379.388 2.563 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 3847607 NUKWPDXDMGXCBV-DLBZAZTESA-N 392.496 2.826 0 40 GFAB biogenic Cc1c(C)n2c(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nnc2[nH]c1=O 4250473 CORXGPQBCMGRJE-UHFFFAOYSA-N 397.382 2.784 0 40 GFAB CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 4328611 PJAWAGACMUHQKY-UHFFFAOYSA-N 394.478 2.779 0 40 GFAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4333977 GMVMBGNMFUTAMX-ZDUSSCGKSA-N 381.388 2.615 0 40 GFAB CC[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 4692659 DAXYUDFNWXHGBE-HLKYYGKDSA-N 384.476 2.700 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885442 UREIKWXMKSDHRU-ZKNHNOBHSA-N 384.457 2.520 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 5135055 MIBXVQIPUXKIAZ-UHFFFAOYSA-N 392.433 2.769 0 40 GFAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5920461 FPXUZHSQQSBQDY-WBMJQRKESA-N 389.839 2.662 0 40 GFAB C[C@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)O)c(=O)n3CCc1ccccc1 6760149 RLGGEMMZBAHYSR-ZDUSSCGKSA-N 398.484 2.677 0 40 GFAB C[C@@H](C(=O)NC1CCCC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 7374295 OXGZVPGHKPRDMI-LBPRGKRZSA-N 387.402 2.903 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c1 7777745 UKGDYDNMAZAMSH-QGZVFWFLSA-N 385.508 2.800 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC(C)C)Oc3ccccc32)cc1 7871960 OJTBZSQCTNABIS-LJQANCHMSA-N 388.489 2.724 0 40 GFAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(c2ncccn2)CC1 8164723 HNPZKCHDYIETIS-UHFFFAOYSA-N 384.443 2.778 0 40 GFAB CN(CC(=O)N1CCCC1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9377505 ZZTDUJMWDWCLIW-UHFFFAOYSA-N 392.459 2.608 0 40 GFAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccccc1C(F)(F)F 9570888 HQLPBLJSQUBWLY-UHFFFAOYSA-N 383.280 2.889 0 40 GFAB COc1cc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)cc(OC)c1OC 9895465 OPLNGEJJVDNYOA-QGZVFWFLSA-N 398.459 2.806 0 40 GFAB NC(=O)COc1ccc(C(=O)OCc2ccc(F)cc2Br)cc1 10421844 KTIVMQDDXRPPJO-UHFFFAOYSA-N 382.185 2.809 0 40 GFAB O=C(CCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 10749446 UJYUFLWATRSXLY-UHFFFAOYSA-N 392.908 2.806 0 40 GFAB Cc1cc(NC(=O)CN2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 12118526 UJVFFUJTRAGWES-INIZCTEOSA-N 378.436 2.653 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 12187672 IRFUPGDHIHRSKU-KGLIPLIRSA-N 397.410 2.839 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1 12422892 QAXVCFYIMMVFJM-LBPRGKRZSA-N 392.868 2.503 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 12533144 CQOAGIGIARVQPP-UHFFFAOYSA-N 381.476 2.831 0 40 GFAB O=C(CSc1nccn1-c1cccc(Cl)c1)NCCC(=O)N1CCCC1 12540171 UXSWGAKIJQLWAU-UHFFFAOYSA-N 392.912 2.747 0 40 GFAB CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1 12545699 HFVAEWXYZMLTSH-LJQANCHMSA-N 393.443 2.738 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)C1 12623235 JUWLXUNHCPLGRK-VPZZIHKRSA-N 377.872 2.612 0 40 GFAB CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(F)ccc1OC 13581142 IBAIEZJIFIKFSH-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(CN(C)C)c1ccccc12 13635445 ZHNZGWOGDAKWAI-HSZRJFAPSA-N 388.471 2.682 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCOCC4)nc3)c12 14900240 HCTPAGBYMGITII-UHFFFAOYSA-N 392.463 2.638 0 40 GFAB CCOc1ccc(NC(=O)CNC(C)(C)C)cc1S(=O)(=O)N1CCCCC1 15377266 UNLQYFRJMJYZNQ-UHFFFAOYSA-N 397.541 2.587 0 40 GFAB CCOC(=O)N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 15377874 QMKHZSGQIMFUEG-UHFFFAOYSA-N 395.257 2.773 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 15816562 BVEYKNOGZOEWIV-UHFFFAOYSA-N 380.510 2.622 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19376008 KAABPYQQGMLECR-HNNXBMFYSA-N 375.476 2.552 0 40 GFAB C[C@H](Cn1cncn1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 19457906 CGQMIQISSUECQF-CQSZACIVSA-N 398.492 2.513 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 20019735 LDOMWBSQLQVVJP-UHFFFAOYSA-N 384.404 2.671 0 40 GFAB CC(=O)c1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 20459115 AFZCIZPMDUEPMG-HNNXBMFYSA-N 388.489 2.841 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 22328688 OLEROXGEFWKYNO-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COc1cc(CC(=O)NC[C@@H](c2ccsc2)N(C)C)cc(OC)c1OC 25330001 FVRXYXJUYYBJMO-HNNXBMFYSA-N 378.494 2.736 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1 28197367 QRHQXOVIGOHBLS-UHFFFAOYSA-N 389.355 2.501 0 40 GFAB Cc1cc(C)n2nc(C(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)nc2n1 28683380 RJZZHZKRJFCEPI-NSHDSACASA-N 385.497 2.682 0 40 GFAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCN(CCc2ccccn2)CC1 32594207 LTVFKYASPKLEDI-UHFFFAOYSA-N 397.862 2.842 0 40 GFAB C[C@@]1(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CCS(=O)(=O)C1 32727696 RYAQHSNOZYLLRD-LJQANCHMSA-N 377.437 2.712 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)NCc2nc3ccccc3s2)C[C@H](C)O1 32889668 LOTNGUFGDWGQBC-KBPBESRZSA-N 376.526 2.983 0 40 GFAB FC(F)(F)c1ccc2nnc([C@H]3CCCN(CN4CCOC4=S)C3)n2c1 32913341 MRYSFPLWKHHRPV-NSHDSACASA-N 385.415 2.502 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C(C)C)c1 32995852 MKFABUVPCFUWRK-YLJYHZDGSA-N 382.460 2.706 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 36391122 HBGGWNPMQHYLPA-UHFFFAOYSA-N 379.309 2.927 0 40 GFAB CCN(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 39985219 FDGHFCLIWHQTOY-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 40106283 ZJLIWSUKXBCRFP-LBPRGKRZSA-N 383.495 2.504 0 40 GFAB Cc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc4c(c3)OCCO4)=NO2)C1=O 40267407 FFADMHMKJQQMFC-JOCHJYFZSA-N 392.411 2.901 0 40 GFAB CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 45170354 YXDDXAATIXUFDJ-JTQLQIEISA-N 393.852 2.965 0 40 GFAB CC(=O)NCCC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 45939392 RBLXGKAFPGFQQW-UHFFFAOYSA-N 389.496 2.725 0 40 GFAB COC(=O)c1cn(CC(=O)NCCc2cccc(OC)c2OC)c2ccccc12 48314238 KFZVEANZFUFEDU-UHFFFAOYSA-N 396.443 2.804 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2nscc21 49403910 RYESMPIOIBPUIH-UHFFFAOYSA-N 392.868 2.801 0 40 GFAB CC(C)CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408771 SPOIYAFLRRYNQY-RBUKOAKNSA-N 378.538 2.670 0 40 GFAB CN(C(=O)[C@H]1COc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 57177684 MTJKXHFFYXTVPG-QGZVFWFLSA-N 376.453 2.684 0 40 GFAB COc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C)c(C)c2)CC1 57486151 TUPYPGIILIEFBH-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)c1 57492726 JCITYULRNWYEMC-UHFFFAOYSA-N 385.489 2.745 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 58265589 PHGWNKKLCCVBKF-ZIAGYGMSSA-N 395.525 2.888 0 40 GFAB CC(=O)Nc1cc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)ccc1C 58282221 UQZPOUIXOTVJDU-UHFFFAOYSA-N 375.469 2.894 0 40 GFAB CC(C)N1CC[C@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 65440786 IVCQJPHMEWRPQF-HZPDHXFCSA-N 380.483 2.821 0 40 GFAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 66739812 XSMLPUYIXVLROV-OAHLLOKOSA-N 384.567 2.735 0 40 GFAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n12 67226658 KWIPYEUIDWMTFY-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1 71327253 ZSDVWNORJBLHGP-UHFFFAOYSA-N 395.438 2.911 0 40 GFAB CC(C)c1ccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)cc1 72403617 DCRVWKVOHLJKOR-UHFFFAOYSA-N 381.480 2.675 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 77184832 PUAQYDXDEQBIQO-KRWDZBQOSA-N 387.860 2.760 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 84811624 QZXVUZMCECKFSE-SJCJKPOMSA-N 376.434 2.615 0 40 GFAB COCCCN1CCC(NC(=O)COc2ccc(Cl)c(Cl)c2)CC1 89410259 OVERUJCTSCWONJ-UHFFFAOYSA-N 375.296 2.989 0 40 GFAB O=C(NCC[C@H](O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 90561880 MCWKTSDOBFJWTM-HNNXBMFYSA-N 382.338 2.764 0 40 GFAB Cn1c(CNc2ccc3nnc(-c4ccccc4F)n3n2)nnc1C1CCC1 95941767 MDTRGRCXOIVOBA-UHFFFAOYSA-N 378.415 2.939 0 40 GFAB CCC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C(=O)O 95991853 GAOAZMWIJFYMGJ-ZDUSSCGKSA-N 382.463 2.532 0 40 GFAB Cc1nc(CN2CCOC[C@@]3(CN(Cc4ccsc4)CCO3)C2)cs1 96049810 MXZAQBYGDLYJLB-GOSISDBHSA-N 379.551 2.616 0 40 GFAB O=C(c1ccc(Cl)cc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240907 YWJBKKRAEMVQPF-QGZVFWFLSA-N 376.884 2.831 0 40 GFAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1C[C@@H]1CCCO1)Nc1ccc(F)cc1 101113796 JELXQSIWVNTGKL-OFBVGVCLSA-N 382.395 2.781 0 40 GFAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103066321 MOPDRTGAYRIKEN-ZYSHUDEJSA-N 381.476 2.955 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H]4c5ccccc5[C@@H]([C@@H]3C2=O)[n+]2ccccc24)cc1 104117306 HSVUYOOLMQTDSC-MBDNFAEBSA-N 383.427 2.837 0 40 GFAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(F)cc1 113894197 HANVRQKWRNDFQX-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB C[C@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(F)cc1 113957325 BAZGPSJDJUUXTJ-QWHCGFSZSA-N 382.432 2.997 0 40 GFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 123341418 BIEADAHRODWPEW-SQUIDHQFSA-N 388.504 2.783 0 40 GFAB Cc1cc2ncc(CCCNS(=O)(=O)c3ccccc3C(F)(F)F)cn2n1 207996018 PNFPFWXGRZXQEQ-UHFFFAOYSA-N 398.410 2.968 0 40 GFAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223303208 FUPIZKCEEWRMFZ-ZYSHUDEJSA-N 386.521 2.681 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223873199 XBCXBPWLTWCMBE-ZIAGYGMSSA-N 377.462 2.743 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1 225216314 RUUQECHEOMGPPQ-UHFFFAOYSA-N 395.293 2.672 0 40 GFAB COC[C@@H]1CN(C(=O)c2ccco2)CC12CCN(CC1CCOCC1)CC2 247905232 WVCKFPHJBHMROA-SFHVURJKSA-N 376.497 2.507 0 40 GFAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257253174 JXVLPVMBNOFLDN-IBGZPJMESA-N 384.480 2.603 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257306989 SWUQXBCPOLBDIT-GOSISDBHSA-N 399.476 2.978 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 257337975 YVGOOYIXURJGHG-BDXSIMOUSA-N 380.460 2.695 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1C 390831018 PCQHCKUPQQOSLJ-FQEVSTJZSA-N 387.501 2.935 0 40 GFAB CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@](O)(c2ccc(Br)cc2)C1 408563579 OKBTYAQSWCNUSO-FUHWJXTLSA-N 389.249 2.936 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2CC)cc1 408592367 KBSCYOWWKWRCIT-CQSZACIVSA-N 376.478 2.953 0 40 GFAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC(C)C)cc1 408710250 URPXTWPONRIWAY-UHFFFAOYSA-N 397.475 2.726 0 40 GFAB O=C(NCCC1=CCCCC1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408975410 JSNBSQIHPBSYIK-UHFFFAOYSA-N 376.416 2.898 0 40 GFAB O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 548217096 LGWVPCLALYFLPH-UHFFFAOYSA-N 387.457 2.524 0 40 GFAB OCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 585273383 UACOXXUCAMLOHC-PMACEKPBSA-N 377.868 2.725 0 40 GFAB COc1cc2c(nn1)CCN(C(=O)c1c(OC)cccc1OC(F)(F)F)C2 612501671 IPTLLISQIHIYAL-UHFFFAOYSA-N 383.326 2.591 0 40 GFAB COc1ccc(N2C(=O)C[C@H](Sc3n[nH]c(Cc4ccccc4)n3)C2=O)cc1 618254476 CHNOPAUDDLFYJQ-INIZCTEOSA-N 394.456 2.828 0 40 GFAB COCCn1cc(CNC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cn1 624003043 MSXNHGLYYIFMJF-INIZCTEOSA-N 378.423 2.897 0 40 GFAB O=C(O)c1cnc(C2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)s1 630242161 IEMQSFCMCOYIOM-UHFFFAOYSA-N 388.445 2.561 0 40 GFAB Cc1ccc(N(CCC(=O)O)S(=O)(=O)c2cnn(C3CCCC3)c2)cc1 630412814 ACCVYMKXZGDJFK-UHFFFAOYSA-N 377.466 2.977 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H]3CCCn4ccnc43)cc2)C1 655695284 WGEULZZEIPLZFI-LPHOPBHVSA-N 388.537 2.928 0 40 GFAB COc1ccnc(N2CCN(C(=O)c3cc(OC)nc4ccccc34)CC2)c1 668284638 RUINUJOQJPDETO-UHFFFAOYSA-N 378.432 2.609 0 40 GFAB CC(C)Cn1ncc(NC(=O)Nc2cc(S(C)(=O)=O)ccn2)c1C1CC1 1219707678 JBLXJINHVLAQRC-UHFFFAOYSA-N 377.470 2.859 0 40 GFAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(C(C)C)C[C@@H]2c1ccccc1 1565541868 GBDRMURGYFBMTR-XMSQKQJNSA-N 397.475 2.537 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1 1775965722 CEQMHGPCBCHHFB-UHFFFAOYSA-N 383.448 2.615 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(N(C)c3ccccn3)CC2)cc1F 1889201663 SFWZIUNAXNXMGY-UHFFFAOYSA-N 379.457 2.519 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)NCc1ccccc1 1330885 KXBAAJVMILALQS-UHFFFAOYSA-N 393.834 2.552 0 40 GFAB O=C1N[C@@H](Cc2cccc(I)c2)C(=O)N1c1ccccc1 1705310 PQXQKVNQASRPNX-AWEZNQCLSA-N 392.196 2.959 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)CCCSc1nc2ccccc2s1 2623699 HLQMGOHNYNBWIN-JTQLQIEISA-N 381.479 2.556 0 40 GFAB COc1cc(COC[C@H](O)CN[C@@H](C)c2ccccc2)cc(OC)c1OC 2686927 WXONXIJDSQKEMJ-MAUKXSAKSA-N 375.465 2.941 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1C 3297807 HJSLVTHOEHZQLP-GFCCVEGCSA-N 384.432 2.943 0 40 GFAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NCCC1=CCCCC1 3371814 OHFOFNGZUKGPTJ-LJQANCHMSA-N 394.475 2.638 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 3375987 ZAULWQUCUMMAOH-HXUWFJFHSA-N 398.440 2.806 0 40 GFAB O=C(COC(=O)c1ccccc1Br)Nc1ccc2c(c1)OCO2 3506973 CBNBETMRNASHFD-UHFFFAOYSA-N 378.178 2.973 0 40 GFAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 3595052 VYATZEGXLHIBOC-KRWDZBQOSA-N 386.279 2.923 0 40 GFAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2)CC1 4121755 PESYOYFOGBYLGU-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB COc1ccc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 4569207 CFZMOSPFADMGPO-KRWDZBQOSA-N 388.489 2.587 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 4863145 IPNTUDDADOYJGS-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB COc1cccc([C@@]2(O)CC(C)=NN2C(=O)CCc2ccc3c(c2)OCO3)c1 5008222 JVTGIDUQCLQLQB-NRFANRHFSA-N 382.416 2.810 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CCCC3 5183375 JZKZNPNSRFDAQZ-NSHDSACASA-N 384.461 2.940 0 40 GFAB CC[C@@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 5875223 LZODPHNENRNXCR-OAHLLOKOSA-N 378.469 2.931 0 40 GFAB COc1ccc(-c2nc3s/c(=C/c4cccc(F)c4)c(=O)n3n2)cc1OC 5894560 LQSKHLNPRLMVLJ-CXUHLZMHSA-N 383.404 2.522 0 40 GFAB CC(C)CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 6580844 JXOYNGNMJYKGCA-ZDUSSCGKSA-N 379.400 2.871 0 40 GFAB Cc1ccc(Sc2ncccc2C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 6589939 QHDWCDYEBWHIDU-AWEZNQCLSA-N 376.503 2.800 0 40 GFAB CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3ccccc3)c2C(=O)O)CO1 6754669 JFVZFXIVUOHGHG-UHFFFAOYSA-N 388.445 2.553 0 40 GFAB NC(=O)c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(C(N)=O)c1 7001264 GZMFZZNXDKWTLF-UHFFFAOYSA-N 375.384 2.929 0 40 GFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)=O)cc2)C1=O 7071102 BNZQVDFFAULBRD-BTAWCLGRSA-N 377.418 2.990 0 40 GFAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1cc(-c2ccco2)on1 7546648 SHCZVJCWOBEJJD-UHFFFAOYSA-N 375.454 2.892 0 40 GFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCCc2ccccc21 7920562 SMIAMPXDDGLHJK-FQEVSTJZSA-N 391.471 2.737 0 40 GFAB CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8156463 HSSFBGGESLWFFU-OAQYLSRUSA-N 397.500 2.880 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1C 8312376 ROBCGVZNTIPPJL-UHFFFAOYSA-N 381.476 2.747 0 40 GFAB COc1ccc(-c2nnn(CC(=O)Nc3ccc(SC)cc3)n2)cc1OC 8772586 QYTBKPVNEAXUOA-UHFFFAOYSA-N 385.449 2.718 0 40 GFAB COC(=O)C[C@@H](NC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1 8884335 LULYIBROWCMMLK-QGZVFWFLSA-N 385.416 2.697 0 40 GFAB COc1ccc(Cl)cc1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 8937389 SZAFYXCPPGVSAD-UHFFFAOYSA-N 382.869 2.780 0 40 GFAB Cc1cc(C)cc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)c1 9659590 ZITHLLRPGPCSRD-UHFFFAOYSA-N 388.427 2.887 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1 9755151 MAYVOLLBCCRQLB-CQSZACIVSA-N 375.446 2.802 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC3CC3)[C@@H]2c2cccs2)cc1 10213091 TYRFPPBABONWMT-OXQOHEQNSA-N 398.484 2.973 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)NC(C)=O)cc1 10849082 IZMYXVFGWNEHSE-FQEVSTJZSA-N 395.459 2.810 0 40 GFAB Cc1cccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1C 11450683 SACTZCARMZQMDQ-UHFFFAOYSA-N 378.519 2.948 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(NC(C)=O)sc3c2)C1 12390570 KFHQSKQBFUDRFJ-CYBMUJFWSA-N 375.450 2.670 0 40 GFAB CN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 12419467 XNJFKKQGBIXSRC-UHFFFAOYSA-N 391.424 2.658 0 40 GFAB Cc1cccc(N2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3)CC2)c1C 12562732 RJHMYAVDMSPWSK-LJQANCHMSA-N 380.492 2.752 0 40 GFAB CCc1ccc([C@H](CNS(=O)(=O)c2cccc(C(=O)O)c2)N(C)C)cc1 13073203 VIGOPNLRVBLLBQ-SFHVURJKSA-N 376.478 2.528 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2OC)cc1 13633178 OZECIUCWZZAHAJ-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1cccc(Cl)c1 13692387 PENQFJAHNJWRHS-UHFFFAOYSA-N 383.835 2.691 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccco1)CC(F)(F)F 14234272 PIRFTRUUPXJNNS-UHFFFAOYSA-N 377.340 2.804 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14909799 LZRKMNZLWSBWEH-AEFFLSMTSA-N 394.471 2.948 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 15781478 VJQGGPQGUWIGRY-UHFFFAOYSA-N 380.491 2.590 0 40 GFAB CCCn1c(=O)n(CCC(=O)Nc2ccccc2C(=O)NC)c2ccccc21 16700052 WEPJWUGLRAYCDL-UHFFFAOYSA-N 380.448 2.601 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 17316286 KTUULOWXEZAKFV-UHFFFAOYSA-N 388.445 2.770 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3c(O)nc(N4CCCCC4)nc3C2)cc1 19022492 OUZPQRHOCKRFTD-UHFFFAOYSA-N 381.480 2.689 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(CCCOc4ccccc4C)C3)ncc2C1 19237401 KAGWUIWTNDZIBG-LJQANCHMSA-N 394.519 2.948 0 40 GFAB Cn1nc(C(F)(F)F)cc1C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19288784 UQQKCTVJVUOPMC-UHFFFAOYSA-N 396.417 2.777 0 40 GFAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19448295 AOSTXDPQKFNGCS-GOSISDBHSA-N 384.455 2.653 0 40 GFAB CC[C@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19500599 CSDPWUUMPHUCOK-GOSISDBHSA-N 398.511 2.786 0 40 GFAB Cc1c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cnn1C 19712816 YBDDMPZGLPPHHN-NSHGMRRFSA-N 384.455 2.535 0 40 GFAB O=C(CN1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1 19767291 AEADSZSQHJQQKC-INIZCTEOSA-N 399.520 2.592 0 40 GFAB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(F)cc1 20046012 AVSQNMRBEOSJTO-STQMWFEESA-N 382.432 2.997 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 20111271 XZEPFZBFTRDXIA-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)NC1CCN(Cc2ccccc2)CC1 21044413 VDGBEVXMHPLXRV-UHFFFAOYSA-N 395.503 2.596 0 40 GFAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 21150892 SQJXFSAPHOUJCQ-UHFFFAOYSA-N 391.479 2.629 0 40 GFAB COc1ccc(Nc2nc(COC(=O)c3nc4nccc(C)n4n3)cs2)cc1 21902356 STUCZUCADVDMKA-UHFFFAOYSA-N 396.432 2.998 0 40 GFAB N=C(NC1=N[C@@H](CC(=O)Nc2ccc(F)c(F)c2)C(O)=N1)Nc1ccccc1 22607386 FSEDCOMRMBTFFL-AWEZNQCLSA-N 386.362 2.625 0 40 GFAB CC(C)NC(=O)CCn1cnc2c([nH]c3ccc(Br)cc32)c1=O 23125505 GERLSCCXDAPYJQ-UHFFFAOYSA-N 377.242 2.555 0 40 GFAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN(CC)CC 24182975 WTGFJUNDQPZIAS-UHFFFAOYSA-N 375.542 2.678 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C[C@H](O)COc2ccccc2F)CC1 25304715 JIKGAJXANSQQKT-IBGZPJMESA-N 386.467 2.594 0 40 GFAB CC(C)c1c(C(=O)Nc2ccc(N3CCOCC3)nc2)cnn1-c1ccccn1 30557147 DAZDRMOGWBBMPZ-UHFFFAOYSA-N 392.463 2.875 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N(C)CCc1ccc(OC)c(OC)c1 30865514 GONBFQYEVZJRCS-UHFFFAOYSA-N 391.489 2.812 0 40 GFAB CSc1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)s1 30974902 NHSTVEGDRGABHA-UHFFFAOYSA-N 397.547 2.795 0 40 GFAB Cc1cc(S(=O)(=O)Nc2nc(-c3ccccn3)n[nH]2)c(S)cc1Cl 31862153 WXPHALLOHYTUIX-UHFFFAOYSA-N 381.870 2.918 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 32741659 NCDYSXQIGFXSPW-SFHVURJKSA-N 377.506 2.512 0 40 GFAB COc1cc(NC(=O)[C@@H](C(C)C)n2nnc3ccccc3c2=O)cc(OC)c1 33590075 HKGATCHOHCICAI-GOSISDBHSA-N 382.420 2.645 0 40 GFAB C[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1)OC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)O)O1 35456112 VIHRKOVEWCGJQP-ZFASMULZSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro CCc1nnc(NC(=O)[C@@H](CC)Sc2nnc(-c3cccnc3)n2C)s1 35655244 YRXOTAUUYUNQMD-LLVKDONJSA-N 389.510 2.800 0 40 GFAB O=C(c1cc(-c2ccccc2F)on1)N1CCN(C(=O)N2CCCCC2)CC1 40087403 UCEKRDJGWCEARL-UHFFFAOYSA-N 386.427 2.844 0 40 GFAB COc1cc(CNC(=O)c2cc(Cl)cc(Cl)c2)ccc1OCC(N)=O 40119487 UQQZHXKETLPWAN-UHFFFAOYSA-N 383.231 2.796 0 40 GFAB O=C(Nc1nnc(-c2ccccn2)s1)C1CCN(C(=O)c2ccco2)CC1 40145857 HLAIHKRSKNWOCA-UHFFFAOYSA-N 383.433 2.684 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)c1ccc(CN2CCCCC2=O)cc1 42055986 RMQVLXNJHNVAIL-UHFFFAOYSA-N 389.459 2.710 0 40 GFAB COc1cccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 44849883 BVEWDIWUTYVDDQ-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cc(F)cc(F)c2)CC1 47533439 SLLXUBBIVMZQCF-UHFFFAOYSA-N 383.439 2.637 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 48132824 FBUBDVPYSZABJK-OAHLLOKOSA-N 383.481 2.682 0 40 GFAB COc1cccc(-c2nn(Cc3ccccc3)cc2/C(O)=N/S(C)(=O)=O)c1 48479980 PMUPZTIMLRFVIN-UHFFFAOYSA-N 385.445 2.871 0 40 GFAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCN(c2ccccc2)CC1 50275703 ZNMCDTBOYZNWPM-UHFFFAOYSA-N 375.375 2.769 0 40 GFAB COc1cccc([C@@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)N(C)C)c1 52839200 WNDYDGTZQORLJJ-OAQYLSRUSA-N 395.503 2.850 0 40 GFAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 57489592 YVVDZDPFUHPUIH-UHFFFAOYSA-N 397.500 2.971 0 40 GFAB O=C(NC1CCN(C(=O)c2cc3ccccc3cc2O)CC1)c1cccnc1 58209445 HZDMJHRFMXZKDS-UHFFFAOYSA-N 375.428 2.975 0 40 GFAB CCOc1ccc2c(c1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CC2 58325730 VPKDRAURROKAHL-UHFFFAOYSA-N 378.428 2.656 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)cc1F 70636125 OZZKIOVJTHJWGW-GOSISDBHSA-N 375.421 2.999 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC)C2)c(Br)c1 72307858 HVDGMSGPAULECI-LLVKDONJSA-N 399.241 2.653 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)c(OC)c1 72389687 WWLBEUFVTVPFGC-JOCHJYFZSA-N 396.443 2.501 0 40 GFAB O=C(CN1CCC(C(=O)Nc2cccnc2)CC1)Nc1ccnn1C1CCCC1 79111146 FNKNDRAJYBZZFJ-UHFFFAOYSA-N 396.495 2.682 0 40 GFAB Cc1oc(C)c(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1Br 84008236 ZAGCLOIJYNRPCE-VDDIYKPWSA-N 388.258 2.840 0 40 GFAB COC(=O)c1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)sc(C)c1C 89558809 NVIYDWBSTGDBBE-UHFFFAOYSA-N 385.463 2.970 0 40 GFAB O=C(c1ccccc1Br)N1CCCSC[C@H]1CN1CCOCC1 90609059 KZYVGSBYFNBLQU-CQSZACIVSA-N 399.354 2.729 0 40 GFAB COc1ccc(/C=C/C(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1OC 96119172 STXBUXVQSUXPQN-CSKARUKUSA-N 397.475 2.748 0 40 GFAB CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101370362 FIYSNFKLNQPDMP-OTWHNJEPSA-N 396.535 2.803 0 40 GFAB O=C(O)C1=C[C@H](c2ccccc2)c2c(nc(N3CCc4ccccc43)[nH]c2=O)N1 102277098 MFLMQBVXJQWMIC-OAHLLOKOSA-N 386.411 2.990 0 40 GFAB CCOc1cc2c(cc1NC(=O)CN1C(=O)[C@H]3CCCC[C@H]3C1=O)O[C@H](C)C2 102859199 KYBRWCWEMQBWAY-YUELXQCFSA-N 386.448 2.522 0 40 GFAB C[C@@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CCC[C@H]1C 105119200 WYFLJIQTBOSTTC-WOPDTQHZSA-N 378.947 2.963 0 40 GFAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)NCCCCCC(=O)O)c3)C(=O)[C@H]2C1 106379382 QCEWONAHOVMTNB-MSOLQXFVSA-N 398.459 2.907 0 40 GFAB COc1ccc(NC(=O)COc2c(Br)cc(CO)cc2OC)cc1 108009815 UAAPRVKUOVNOBF-UHFFFAOYSA-N 396.237 2.976 0 40 GFAB Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2n1 206824635 MKHVOZKOSRIAAQ-UHFFFAOYSA-N 382.848 2.741 0 40 GFAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220611852 QJVRTNFFVSMWDE-GOSISDBHSA-N 392.477 2.887 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2)ccc1C 223859938 PQIHUTSGPJMIDO-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB COc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225163504 BPKSEURQYIRFDF-MRXNPFEDSA-N 383.853 2.665 0 40 GFAB COc1ccc([C@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225944383 YDPGSNXLPNWIGR-SCLBCKFNSA-N 394.468 2.692 0 40 GFAB CCN(CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253596510 SBJVCDHWJCQQIQ-YAPKBZITSA-N 399.535 2.789 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257206568 BEALTJBTRBWNNG-GOSISDBHSA-N 389.883 2.915 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257206569 BEALTJBTRBWNNG-SFHVURJKSA-N 389.883 2.915 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)nc(C)n1 390826953 DAGQIWKLLMTNTK-UHFFFAOYSA-N 379.420 2.827 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1C 390828104 ORHOHLXTQNRAKI-UHFFFAOYSA-N 391.493 2.643 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)c2cn(C[C@H](O)c3ccco3)nn2)cc1 390828308 QBMGMVMTJHTDNE-KRWDZBQOSA-N 398.419 2.814 0 40 GFAB Cn1c(=O)oc2ccc(S(=O)(=O)NCc3ccc(-c4ccoc4)cc3)cc21 390832374 ZBQKYGRCBUHXSO-UHFFFAOYSA-N 384.413 2.870 0 40 GFAB COCCCNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 409121981 ZNULQJZAFGIDAM-UHFFFAOYSA-N 390.505 2.728 0 40 GFAB CCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 409410347 VMIIGKAIXUHZKE-UHFFFAOYSA-N 394.468 2.564 0 40 GFAB Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 531686620 UGUAQYNLYJMLAH-QGZVFWFLSA-N 389.452 2.940 0 40 GFAB C[C@@H](C(=O)NCc1ccc(OC(F)(F)F)cc1)n1nc(C2CC2)ccc1=O 575620716 SODYBHZZYNBLEC-NSHDSACASA-N 381.354 2.897 0 40 GFAB Cc1csc(CNC(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)c1 580040062 WVENEHSFWKPFKJ-KRWDZBQOSA-N 383.477 2.920 0 40 GFAB CCn1cnnc1[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C)cc3)cn2)CCO1 585079890 CLNHSCLOPKVVJP-SFHVURJKSA-N 392.463 2.832 0 40 GFAB COC[C@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1C(=O)c1cscn1 585103529 IGIRBRFHFUCCIX-CQSZACIVSA-N 395.500 2.505 0 40 GFAB O=C(/C=C/c1cccs1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147176 UEFSZJYBOGKWOG-AAOUONPWSA-N 380.267 2.994 0 40 GFAB O=C(Nc1ccc(Br)cc1)C1CCN([C@@H](C(=O)O)C2CC2)CC1 635017600 USUYJRBTUTXPOW-OAHLLOKOSA-N 381.270 2.963 0 40 GFAB CCN(CC(=O)N(C)C)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 645312773 DILYBDVLJIKYOB-UHFFFAOYSA-N 392.887 2.634 0 40 GFAB OCC[C@H](NC1CCN([C@H]2CCOC2)CC1)c1ccccc1Br 655751688 QEIQGZXHIWFRRT-YJBOKZPZSA-N 383.330 2.716 0 40 GFAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1ccc3c(ccn3C)c1)CC2 1565554321 XKHNQDNDLSJTQE-UHFFFAOYSA-N 382.489 2.578 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 1615123561 SZDNIYJOZNHTBA-NRFANRHFSA-N 383.423 2.567 0 40 GFAB NC(=O)c1cc2cc(NC(=O)N3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)ccc2[nH]1 1679759003 FFKVVJGXHHXESL-KKSFZXQISA-N 396.422 2.599 0 40 GFAB O=C([C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1)N1CCSCC1 1888857264 YSJMQMJNWCSYJG-GFCCVEGCSA-N 395.834 2.534 0 40 GFAB COc1ccc(C[C@H]2CN3CCN(C(=O)OCc4ccccc4)C[C@@H]3CO2)cc1 2037569107 ZJOJFQWSWAYZDV-IRLDBZIGSA-N 396.487 2.960 0 40 GFAB COc1cc(C(=O)Nc2nnc(C)s2)c(Br)c(OC)c1OC 939868 FDCGHJGYWKBUHR-UHFFFAOYSA-N 388.243 2.887 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2OC)s1 1379761 CTGYPLHQOQHZOE-LBPRGKRZSA-N 375.454 2.744 0 40 GFAB CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n2c1CCC2 1557879 GAOAPTXVHUNCLN-UHFFFAOYSA-N 387.436 2.822 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(=O)O)cc2)c(C)c1 3262274 ZETNJXYGMZCVLN-UHFFFAOYSA-N 383.433 2.708 0 40 GFAB O=C(NC(=S)N1CCCC[C@H]1CO)c1cc(Br)ccc1Cl 3313738 WIUVDRQIWWUTIV-JTQLQIEISA-N 391.718 2.964 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 3405954 YJKRQMNWVAUNND-UHFFFAOYSA-N 376.821 2.837 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C)CC2)cc1 3455915 IUZCLOJUFLMCCA-UHFFFAOYSA-N 394.518 2.602 0 40 GFAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2OC)cc1 3516151 RHPFBDKJMMPHBE-LBPRGKRZSA-N 385.449 2.799 0 40 GFAB COC(=O)COc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 4498548 NGHLVTHXENDCPW-ATVHPVEESA-N 388.489 2.971 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 5627353 OXWKIJWDSMHOMT-SECBINFHSA-N 384.310 2.966 0 40 GFAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(I)cn1 6615922 KDGVXXWMJJOXLL-UHFFFAOYSA-N 397.241 2.742 0 40 GFAB CCC[C@@H](C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 6945263 NHIWMCXFXIYISU-LLVKDONJSA-N 377.304 2.520 0 40 GFAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(Br)cc1F 7203192 PLQOMYVGFGHTNP-ZCFIWIBFSA-N 386.250 2.662 0 40 GFAB O=c1cc(CSc2n[nH]c(=O)n2CCc2ccccc2)c2ccc(O)cc2o1 7346336 NIXMCUDYLUHOMO-UHFFFAOYSA-N 395.440 2.918 0 40 GFAB O=C(NCc1ccccc1F)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 7755242 QBURCFUZJPOWMF-GOSISDBHSA-N 376.453 2.685 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 8053165 YEPCMCAAEXCONA-UHFFFAOYSA-N 394.840 2.739 0 40 GFAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)C1=NS(=O)(=O)c2ccccc21 8327751 RDGKQSKHXWUMIA-UHFFFAOYSA-N 397.378 2.725 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 8345559 JUOFMAYJPZHRIT-UHFFFAOYSA-N 388.489 2.680 0 40 GFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C(=O)OC)cc3)n2)cc1 9205695 ZURUOPZJTGWYBS-UHFFFAOYSA-N 393.399 2.670 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCC3)C1=O 9336889 GGOIAEAJIPFCPB-HXUWFJFHSA-N 383.473 2.825 0 40 GFAB CC(=O)N[C@H](CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1)c1ccccc1 9904219 VUZIYAYSDUDGLM-GOSISDBHSA-N 394.475 2.592 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nc(C)n[nH]2)sc2c1CCCC2 11658236 ZVCCPDRWUUGEDG-UHFFFAOYSA-N 380.495 2.961 0 40 GFAB Cc1ccc(N2N=C(C(=O)O[C@H](C)C(=O)NC(C)(C)C)CCC2=O)cc1Cl 11956727 NHBDNZWFUZEZGC-GFCCVEGCSA-N 393.871 2.978 0 40 GFAB Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3=O)c3c(C)noc3n2)s1 11959188 LFMKFTVLXITZCG-UHFFFAOYSA-N 399.428 2.874 0 40 GFAB COc1cccc2c1cc(C(=O)NC[C@H](c1ccc3c(c1)OCO3)N(C)C)n2C 12148648 AWDJSZZHVCCCGX-GOSISDBHSA-N 395.459 2.948 0 40 GFAB CCc1nnsc1C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12276448 FSJQUPQZIGZNIX-ZDUSSCGKSA-N 395.488 2.767 0 40 GFAB COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 12292249 GAWRQWNBTDLIEK-LJQANCHMSA-N 399.487 2.874 0 40 GFAB C[C@H](NC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)c1ccccc1 12422925 HQYODQZNZQYGEQ-LBPRGKRZSA-N 382.445 2.504 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1 12525322 CGOWSOOSRMSCIK-UHFFFAOYSA-N 388.449 2.551 0 40 GFAB COc1cccc(CNC(=O)NCC(=O)Nc2ccccc2Br)c1 12758952 SYWHHVMETRSYSG-UHFFFAOYSA-N 392.253 2.896 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 12799804 DFCGYZNCSDPLLB-GJZGRUSLSA-N 381.432 2.547 0 40 GFAB C[C@H]1CC(=O)c2c(OCC(=O)N3CCN(c4ccccn4)CC3)ccc(F)c21 12981364 FIZZQMNNQSRPHH-AWEZNQCLSA-N 383.423 2.638 0 40 GFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(N2CCCC2=O)cc1 13260032 SHROZJSOCXJVOI-IBGZPJMESA-N 391.427 2.720 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccc2ncccc12 13720733 WPNUUXDMZAOGBC-UHFFFAOYSA-N 386.411 2.908 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 14021643 VRUJRYBBHRMDHA-UHFFFAOYSA-N 379.457 2.975 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)NCC(=O)Nc1ccccc1Br 14084892 BZVOWPQABQVMKZ-GFCCVEGCSA-N 377.238 2.971 0 40 GFAB O=C(c1ccco1)N1CCN(c2nc(-c3ccccc3Cl)cc(=O)[nH]2)CC1 14608509 DBATULCKPRLDIQ-UHFFFAOYSA-N 384.823 2.646 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(C)ccc2F)c1 16148128 USWLHRDDJZDKJM-UHFFFAOYSA-N 381.381 2.508 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1cc(C)ccn1)C(F)(F)F 17241601 SREFADQLBDCKRF-QGZVFWFLSA-N 381.354 2.972 0 40 GFAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(C)cc1)C2 19209855 COEZJVWZVWZFGS-FQEVSTJZSA-N 378.476 2.596 0 40 GFAB O=S(=O)(NCCN1CCOCC1)c1ccc(Oc2ccccc2Cl)cc1 19878786 RHGRSYWNRCWBAO-UHFFFAOYSA-N 396.896 2.743 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C 20016374 UEPKQZBFUKODEG-LBPRGKRZSA-N 398.431 2.977 0 40 GFAB Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1S(=O)(=O)N1CCCCCC1 22384018 ITAHDLQOTFBHGP-UHFFFAOYSA-N 389.477 2.500 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O 23003057 SZYZCWBJMIFPOX-MRXNPFEDSA-N 395.459 2.650 0 40 GFAB O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)NC1CCCCCC1 23127533 AIAUFLPSFCBWCV-UHFFFAOYSA-N 377.554 2.915 0 40 GFAB CCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 24573487 NDAIPASNQBZWFM-UHFFFAOYSA-N 391.475 2.624 0 40 GFAB CN1C(=O)c2ccc(C(=O)NCc3ccc(OCC(F)(F)F)cc3)cc2C1=O 25149634 BUWHULJYNGUMLI-UHFFFAOYSA-N 392.333 2.784 0 40 GFAB CC(C)c1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1ccc(F)cc1 25344872 RVBGMYIGIWMYBX-UHFFFAOYSA-N 394.454 2.887 0 40 GFAB NC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cc1 25946931 JBNRNIAQQKUBNE-UHFFFAOYSA-N 379.460 2.709 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1C[C@H]1CCCO1 30343222 SFAIJRFIOVZYFA-QVKFZJNVSA-N 399.447 2.527 0 40 GFAB CC(=O)N[C@H](C)CCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 32778343 OFHYIYUKCNQQDH-LLVKDONJSA-N 396.274 2.890 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 35538803 ZBFOOQSGVIFGFN-UHFFFAOYSA-N 375.406 2.863 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(OC)cc1 39985378 LHMIRBGKGFKVDK-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 41153828 ARCQPPDMMRCUIB-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 44672883 HBVFTHGVLZUPNH-KRWDZBQOSA-N 375.446 2.900 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1 48302716 QWSDYKQPHNPFBY-UHFFFAOYSA-N 398.444 2.578 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCCCC2)nc1N 57478029 CZUZNAMUNRCDEJ-UHFFFAOYSA-N 382.873 2.544 0 40 GFAB COc1ccc(CN(C)C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1OC 57671438 JVKUUVSRMLIBGW-UHFFFAOYSA-N 396.443 2.657 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)O2 64988685 KPAUBAVUBBJISS-KRWDZBQOSA-N 396.415 2.829 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 65592622 JRGQEFQDOUNMOV-FQEVSTJZSA-N 391.427 2.927 0 40 GFAB Cc1ccc(Cn2nc(C)c(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c2Cl)cc1 69084413 YUGHWOAEIGATKO-SFHVURJKSA-N 395.912 2.509 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)c1 71328949 KNFLGFRUVPKVAP-MRXNPFEDSA-N 382.464 2.554 0 40 GFAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 72358035 TYOFISGDUBJBOX-OAQYLSRUSA-N 395.503 2.677 0 40 GFAB CC(=O)N1CCn2c(nnc2[C@H]2CCCN(Cc3ccnc4ccccc34)C2)C1 72372130 IVWOFVJHEDGPLP-SFHVURJKSA-N 390.491 2.568 0 40 GFAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101245 DOVBSOREDNKFBK-CMDGGOBGSA-N 394.862 2.986 0 40 GFAB Cc1cc(C)n(CCN2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 77196859 KVJZYWLVTSSEKU-UHFFFAOYSA-N 396.944 2.550 0 40 GFAB CCCc1nc(C)c(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)s1 89960470 KDCAMXFOHBNIBM-SJPCQFCGSA-N 376.570 2.787 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)NCc3ccc4c(n3)CCCC4=O)cc2NC1=O 95467349 NWLJPJKDLYEBIX-NSHDSACASA-N 381.457 2.963 0 40 GFAB CC(C)c1n[nH]c(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)n1 95476985 NQZNRPFMCUUIQJ-UHFFFAOYSA-N 397.888 2.764 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)O)C(C)C)cs2)cc1OC 98037976 JSPDSJKDVBNJCJ-MRXNPFEDSA-N 378.450 2.595 0 40 GFAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@@H]2C1=O 100072871 OKRXCIMJRILWME-AEFFLSMTSA-N 397.818 2.672 0 40 GFAB O=C(c1cccc(F)c1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101668537 HITFKYAFOXUNIU-UHFFFAOYSA-N 395.434 2.802 0 40 GFAB COc1ccc2c3c1O[C@@H]1C4(CC[C@H]5[C@H](C2)N(CC2CC2)CC[C@]315)OCCO4 102939235 ZKNHXBONWOGIMA-FHQLIMNDSA-N 383.488 2.888 0 40 GFAB CCOc1ccc2nc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2c1 103465034 SMNCQQMMHUVMKD-FPMFFAJLSA-N 399.472 2.973 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220118880 PMEVNWYLHDWBNM-CQSZACIVSA-N 390.461 2.575 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224574606 OYQRUJQARRCWNX-QGZVFWFLSA-N 384.476 2.611 0 40 GFAB CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224792342 WHYAWONHJHDGOD-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB COc1cccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225951359 RJTVPOFQPHPVGI-MRXNPFEDSA-N 382.869 2.968 0 40 GFAB CN(c1ccc(CC(=O)Nc2ccc3sncc3c2)cc1)S(C)(=O)=O 225975122 BFNJVFVFSFQWLG-UHFFFAOYSA-N 375.475 2.873 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)NCc1cccc2ccccc12 245227578 PLYFRCIGULBKGZ-DVBWKPSCSA-N 386.451 2.509 0 40 GFAB COc1ccc(-c2cncc([C@@H]3CN(C(=O)Cc4ccccn4)CCO3)n2)cc1 257344020 ZVLSEBNQVHVUOT-NRFANRHFSA-N 390.443 2.690 0 40 GFAB CN(C)c1cccc(C(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)c1 390829069 CPHFUZYRJKGMTG-IBGZPJMESA-N 390.480 2.894 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N4CC[C@H](C)S(=O)(=O)CC4)ccc32)c1 614008976 KUDLDCYVRMDFEA-INIZCTEOSA-N 397.500 2.983 0 40 GFAB CN1CCN(CC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)CC1 643365129 XJEOWZUBRSBWIC-GOSISDBHSA-N 394.357 2.620 0 40 GFAB CCOc1ccccc1CN1CCN(C(=O)c2ccc(C(=O)O)cn2)[C@@H](C)C1 647740388 PVNGVGZEFZQHGR-HNNXBMFYSA-N 383.448 2.525 0 40 GFAB COCCn1cc(CNC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cn1 651081003 VISJJCWSSBRUCW-UFYCRDLUSA-N 384.480 2.734 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1614962811 TZEIBKLQNPGFIQ-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB COc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 1615121650 NNEDMZSIPROIDL-QFIPXVFZSA-N 380.444 2.733 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775966540 KAESKMRPCWAUPR-ZDUSSCGKSA-N 386.429 2.805 0 40 GFAB Cc1nc2c(c(N3CCC(Cn4cnc5ccccc5c4=O)CC3)n1)CCC2 1775972572 LIFMDZSQEKWIPC-UHFFFAOYSA-N 375.476 2.900 0 40 GFAB O=C(c1cccnc1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775996205 ZZYTWZJZTLQIPH-LBPRGKRZSA-N 377.242 2.565 0 40 GFAB CC(C)(C)OC(=O)N1CC(n2nc(Br)c(Br)n2)C1 1888994961 NVHBNXWTKDKSIE-UHFFFAOYSA-N 382.056 2.595 0 40 GFAB Fc1cc(C(F)(F)F)cnc1N1CCN(c2cc(-n3cccn3)ncn2)CC1 1889148923 HHLNZSYUBKTCTH-UHFFFAOYSA-N 393.348 2.542 0 40 GFAB O=c1c2ccccc2n(Cc2nc(Cc3cccc(F)c3)no2)c(=O)n1C1CC1 1889281274 FTIXWVGDECNTNK-UHFFFAOYSA-N 392.390 2.659 0 40 GFAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 2037836280 XBNGCBUATOJWGK-ZDUSSCGKSA-N 381.465 2.713 0 40 GFAB c1cncc(-c2ccnc(N3CCN(c4nc5cnccc5s4)CC3)n2)c1 2087047207 AQTRBEFFLQNZHE-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(O)c(OCC)c1 815886 QUIIHYSIUUWTNB-UHFFFAOYSA-N 375.421 2.714 0 40 GFAB CCc1c(C(=O)Nc2ccc(OCC(=O)NC)cc2)cnn1-c1ccccc1 104538473 OFIKGADWDVIKRX-UHFFFAOYSA-N 378.432 2.812 0 40 GFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc(OC)c(OC)c1 23673920 WHBLJZGDMNNSAF-GOSISDBHSA-N 375.421 2.675 0 40 GFAB C[C@H]1CCC[C@@H](N2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)[C@@H]1C 6853286 DPNUGJSSHMLGNP-CVXDLRIPSA-N 387.358 2.849 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 7070288 AOCUNPOBQXYPIX-MRXNPFEDSA-N 390.505 2.801 0 40 GFAB COCCOc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1C 47593697 ULJNTSKNJXMZEK-MRXNPFEDSA-N 398.550 2.663 0 40 GFAB CCN(c1cccc(C)c1)S(=O)(=O)c1c(C)nc2sc(C)cn2c1=O 8589486 XPHDXCROQCYVND-UHFFFAOYSA-N 377.491 2.896 0 40 GFAB COc1ccc(-c2noc(CCCCCNC(=O)c3cnc(C)cn3)n2)cc1 24298582 VNNQEZGXZMAERB-UHFFFAOYSA-N 381.436 2.986 0 40 GFAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O 57426651 KRVPXQKQFIFQJS-UHFFFAOYSA-N 385.489 2.934 0 40 GFAB CC[C@@H](Sc1nncn1C)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1 1429927 ARHGLJBXOJAIPP-CQSZACIVSA-N 388.522 2.618 0 40 GFAB O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12514824 KXUIWJBGSJHVFL-UHFFFAOYSA-N 385.489 2.610 0 40 GFAB CS(=O)(=O)c1nn(-c2ccccc2)c2nc(-c3ccc(F)cc3)nc(O)c12 35066937 AIMKEIKJTJTQML-UHFFFAOYSA-N 384.392 2.731 0 40 GFAB C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCc5ccccc54)c(=O)c23)C1 1784834 IDRFWCABLFDQMQ-ZDUSSCGKSA-N 394.500 2.957 0 40 GFAB CCc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 57486545 VDIDAVFPDJFAAY-UHFFFAOYSA-N 391.406 2.922 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 1862446 OABGDCHNIYHWPM-UHFFFAOYSA-N 390.233 2.913 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 28197874 NGRAUJOTCSJNPL-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 57638494 MXCIBRGVQCUQSP-OAHLLOKOSA-N 384.407 2.956 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCCc3ccccc32)c1 3204825 XCKZFGUYJPAPAO-UHFFFAOYSA-N 382.416 2.651 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(N2CCCCCC2)nc1 48250081 DEXYSCUCTSSDLR-UHFFFAOYSA-N 393.553 2.826 0 40 GFAB O=C(CCCCCn1nnc2ccccc2c1=O)NC1Cc2ccccc2C1 36366365 CGHVXXOWCHKXJB-UHFFFAOYSA-N 376.460 2.636 0 40 GFAB COc1ccc(-c2noc(CN3CCN(C(=O)CCc4ccco4)CC3)n2)cc1 12774055 VNHGZIQEPLBLGC-UHFFFAOYSA-N 396.447 2.615 0 40 GFAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 10515429 DHUXYEUNJGSFTR-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 48359200 HJCSOAWMGJHSTH-IAGOWNOFSA-N 398.551 2.895 0 40 GFAB C[C@H](C(=O)Nc1cccc(NC(=O)c2cc3c(cc2O)OCO3)c1)n1cccn1 48324939 IDFUTCFXIVUIOF-GFCCVEGCSA-N 394.387 2.769 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20454795 YRDXOXZWBPTVBK-QXAKKESOSA-N 376.522 2.921 0 40 GFAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 2627615 JIYWUALOFUJHOY-HNNXBMFYSA-N 375.787 2.581 0 40 GFAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)nn12 12852959 FGTWQYCKZUCOFW-VIFPVBQESA-N 394.218 2.924 0 40 GFAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)cc1 12846946 DZAXUXRFJJKDJB-QAPCUYQASA-N 396.443 2.876 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43COS(=O)(=O)O)[C@@H]1CCC2=O 118930663 OFAHVPXLWWIVAF-JLZSVDHQSA-N 384.494 2.679 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 3595965 TUQIQWJTECDISC-ZMZPIMSZSA-N 379.844 2.788 0 40 GFAB O=C(COc1ccccc1Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 12909956 AWRAOMQQSLEDDR-UHFFFAOYSA-N 378.472 2.737 0 40 GFAB C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1 12939879 LRYBOPWCNKQXOI-HNNXBMFYSA-N 383.473 2.826 0 40 GFAB COc1ccc(CCNC(=S)N(C)Cc2c(C)nn(C)c2C)cc1OC 13325948 HEBIOFQOCCJILN-UHFFFAOYSA-N 376.526 2.603 0 40 GFAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1Cl 5075433 YWXDQXDDXSRQFX-UHFFFAOYSA-N 386.882 2.681 0 40 GFAB C[C@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)NC(N)=O 6235485 FSSYPWVVGQBANU-LBPRGKRZSA-N 385.445 2.806 0 40 GFAB COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9237896 OYLYIIDKNPKCCH-SJORKVTESA-N 381.461 2.993 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnnn1-c1ccccc1 9764389 XIHNXGFYMOMPCZ-UHFFFAOYSA-N 381.461 2.742 0 40 GFAB Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cn12 14425216 QHVCKNVWVUNKOI-UHFFFAOYSA-N 386.477 2.924 0 40 GFAB Cc1cc(C)n(-c2nc(NCCOCCO)c3c4c(sc3n2)CCCC4)n1 5573699 VLGJSYAOILWJQQ-UHFFFAOYSA-N 387.509 2.793 0 40 GFAB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)NC(=O)NC1CC1 14898055 OOFHRCKKFVODPJ-LLGDCAAFSA-N 375.429 2.583 0 40 GFAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2N)[nH]n1 9374877 ZFIVFASMWFNJMY-UHFFFAOYSA-N 398.279 2.728 0 40 GFAB O=C(NCc1cccc(CNC(=O)NCc2ccco2)c1)NCc1ccco1 6938523 JATFMIYUQODLHE-UHFFFAOYSA-N 382.420 2.871 0 40 GFAB Cc1ccc(-c2nc(CN3NS(=O)(=O)c4ccccc4C3=O)cs2)cc1 5938698 XFMAYASNRWROGP-UHFFFAOYSA-N 385.470 2.968 0 40 GFAB CCCOc1c(Cl)cc(CN2CCc3nn(C)c(=O)cc3C2)cc1OC 93756169 UFEHGCDHDRVMQN-UHFFFAOYSA-N 377.872 2.789 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)N1CCCC1 7268091 WYPHAHWNPQKARD-CYBMUJFWSA-N 382.302 2.639 0 40 GFAB O=C([C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc2O1)N1CCCCC1 7825298 ZWBPXVZDHLVPKX-FQEVSTJZSA-N 394.427 2.836 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(Cl)cc1 16262205 ALOFRXLYQMVFPR-QGZVFWFLSA-N 386.839 2.692 0 40 GFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C1CC1 8183748 MNMIXXJBCSWDOU-LBPRGKRZSA-N 388.445 2.744 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c(OC)c1 8217444 GBLIHTGQJNLLJW-NSHDSACASA-N 375.812 2.744 0 40 GFAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C1CC1 8230031 XVONVRXQCCHLML-UHFFFAOYSA-N 389.872 2.793 0 40 GFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)NC2CCCCC2)C1=O 8315489 LVNKVXRJHUVKSD-SZNDQCEHSA-N 387.480 2.690 0 40 GFAB COC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 71830285 HSDLJYNMGIQRGW-CZUORRHYSA-N 379.412 2.715 0 40 GFAB Cc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)c1O 72313307 PXNGKGIVQRSUON-UHFFFAOYSA-N 380.441 2.879 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1 95427681 QVIARYLLKPLANJ-ZDUSSCGKSA-N 390.461 2.643 0 40 GFAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCCc2ccccc21 89858183 ZJBJRVFACFBENZ-QHCPKHFHSA-N 389.455 2.749 0 40 GFAB Cn1cc(CN2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306124929 CCNFSACTTOBDFD-IEBWSBKVSA-N 385.514 2.904 0 40 GFAB Cc1cc2c(N3CCN(C(=O)[C@H](C)Oc4ccccn4)CC3)ncnc2s1 520728286 BOVFNDZUSIUAGB-AWEZNQCLSA-N 383.477 2.511 0 40 GFAB O=C(N[C@@H](c1ccccc1)c1cccs1)C1=NN(c2ccccc2)C(=O)CN1 32993865 SOUQYTAKKMBBDJ-IBGZPJMESA-N 390.468 2.904 0 40 GFAB O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 36700141 IRNLEKGVPCSYPY-SFHVURJKSA-N 398.887 2.831 0 40 GFAB O=C(NC1(c2nn[nH]n2)CCCC1)c1csc(-c2ccc(F)c(F)c2)n1 540961052 LULHWZBZWMEUOY-UHFFFAOYSA-N 376.392 2.801 0 40 GFAB COc1cccn2ncc(C(=O)NCCOc3ccc(C(F)(F)F)cn3)c12 1544428608 LLBZIHHMTNWLEU-UHFFFAOYSA-N 380.326 2.566 0 40 GFAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36619404 MQUFLKUKNKXVND-CYBMUJFWSA-N 393.426 2.562 0 40 GFAB Oc1nncc(N2Cc3ccc(OC4CCNCC4)cc3C2)c1C(F)(F)F 2362797587 NTKDEOOSCFGSNC-UHFFFAOYSA-N 380.370 2.852 0 40 GFAB COc1cc(Nc2nc(N3CCCC3)c3nccnc3n2)cc(OC)c1OC 32087509 HGHMVGWXPINHGP-UHFFFAOYSA-N 382.424 2.789 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2noc(-c3ccc(Cl)cc3)n2)c1=O 31799860 LNIJVOTZCSBWSD-UHFFFAOYSA-N 398.728 2.718 0 40 GFAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 223992228 XHMGKXWDOPTUDH-UHFFFAOYSA-N 380.491 2.586 0 40 GFAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1 223294444 NKDJTPOTNZCSSV-FMIVXFBMSA-N 396.472 2.945 0 40 GFAB CCN(CCNC(=O)Cn1cc(Br)ccc1=O)c1ccccc1C 46992511 KIGUDXGYTYNZOL-UHFFFAOYSA-N 392.297 2.562 0 40 GFAB Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1-n1cnnn1 49204093 QZWBGYAGXKKERB-CYBMUJFWSA-N 390.403 2.533 0 40 GFAB C[C@@H](CC(=O)NCCCN1CCOCC1)CC(=O)Nc1ccc(Cl)cc1 199422148 NKVRLDDLGBLOFE-HNNXBMFYSA-N 381.904 2.533 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nc3c(s1)CCC3)C=C2 95473555 IFWVEBPAGYABSZ-UHFFFAOYSA-N 399.472 2.643 0 40 GFAB C[C@@](O)(C(=O)NCc1ccc(C(=O)O)cc1)c1ccc(F)c(Br)c1 1593375115 AUFZSJNTKSLSMN-KRWDZBQOSA-N 396.212 2.810 0 40 GFAB COCCn1nc(C)c(CNCc2c(Cl)cccc2N2CCOCC2)c1C 585085903 NRLSXAHQUBBEMY-UHFFFAOYSA-N 392.931 2.926 0 40 GFAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 244515993 ZPPRQKLHTKNSDL-UHFFFAOYSA-N 396.487 2.915 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]1c1ccccc1C 257207391 BHNHJSGRUKZZGZ-CTNGQTDRSA-N 399.491 2.876 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)n1 253400578 LJSZAYGDHUIWLP-SNVBAGLBSA-N 397.840 2.788 0 40 GFAB CCOC(=O)[C@H](Cc1ccccc1)NC[C@@]1(COC)OCCc2ccccc21 589569826 UTEVFMYVABXWLF-GMAHTHKFSA-N 383.488 2.865 0 40 GFAB O=C(O)C1CCN(C(=O)c2ccc(NC(=O)[C@H]3COc4ccccc43)cc2)CC1 269045211 SHKVODGLAPAOLE-SFHVURJKSA-N 394.427 2.738 0 40 GFAB CCc1cccc(C(=O)N(C)CCN(C)C(=O)c2ncccc2C(F)(F)F)n1 1615612078 WIJMHLHYNLMIEP-UHFFFAOYSA-N 394.397 2.902 0 40 GFAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)C1 624144392 PNQAQQBDPWEMRR-QRQLOZEOSA-N 393.553 2.541 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)c1cnc2n1CCCC2 630141905 TZXITLFAKZLWNY-MRXNPFEDSA-N 396.447 2.551 0 40 GFAB CCc1nn(C)c(Cl)c1C(=O)N(C)CCc1nccc(C(F)(F)F)n1 1119926914 HOFGVTJJLUJKRZ-UHFFFAOYSA-N 375.782 2.759 0 40 GFAB CC(C)c1nc(C(=O)Nc2cnc3c(c2)C[C@H](N)CC3)nn1-c1cccc(F)c1 644101704 OJWALJSVDWLSNR-OAHLLOKOSA-N 394.454 2.993 0 40 GFAB COc1ccc(Cl)cc1CN1CCN(c2nccc3c(O)ncnc23)CC1 656107638 SRSSDURJFKHXRY-UHFFFAOYSA-N 385.855 2.715 0 40 GFAB Cc1cccn2cc(CCNC(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)nc12 673724971 MDHCUSSTSNTHSR-HXUWFJFHSA-N 396.466 2.514 0 40 GFAB Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)c1C 653327126 RASYJDOWHBSWBV-QZTJIDSGSA-N 387.457 2.750 0 40 GFAB CC(C)(Oc1ccc(F)cc1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 36656168 RCEFOAAOMVWZOU-UHFFFAOYSA-N 380.441 2.671 0 40 GFAB COc1nc(N2CCCN(c3nc(C)cs3)CC2)ncc1Br 72312199 XJXWPYWPFBOCGL-UHFFFAOYSA-N 384.303 2.729 0 40 GFAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 5470890 XRSRNAUETCDNFV-INIZCTEOSA-N 397.266 2.747 0 40 GFAB COc1cccc(CNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 5702051 BGTCVKQXGROBOW-UHFFFAOYSA-N 382.441 2.674 0 40 GFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 5864504 BFBMKLIDPIZAPG-CQSZACIVSA-N 386.304 2.645 0 40 GFAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCCN1Cc2ccccc2C1 12193352 KOZCRWHAKXHOLD-UHFFFAOYSA-N 385.851 2.770 0 40 GFAB Cn1c(=O)c(CNc2ccc3c(c2)OCCO3)cc2cc3c(cc21)OCCO3 13561584 RQTDJYCVBABWAU-UHFFFAOYSA-N 380.400 2.693 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 15433943 QWFXPLXNJRAMLG-HZPDHXFCSA-N 394.537 2.600 0 40 GFAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)Cc2ccccc2)CC1 19288984 UECRTCFQZLBOOW-UHFFFAOYSA-N 389.503 2.805 0 40 GFAB Cn1ccnc1-c1nn(CCNC(=O)[C@H]2CCCCO2)cc1-c1ccc(F)cc1 19291542 VELONYQQTUQHSB-GOSISDBHSA-N 397.454 2.775 0 40 GFAB O=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 19369266 HFNLFQADWKWMRD-IBGZPJMESA-N 380.492 2.533 0 40 GFAB CN1CCc2nnc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2CC1 19706360 ZEGKJKXUOMDKBW-IBGZPJMESA-N 392.507 2.544 0 40 GFAB COCC(=O)N1CCC[C@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236796 PAKPTZKICUOCIO-UWJYYQICSA-N 381.476 2.746 0 40 GFAB Cc1ccc(NC(=O)Cc2ccc3[nH]cnc3c2)cc1S(=O)(=O)N1CCCC1 19662485 LVIOIANZMUBSSK-UHFFFAOYSA-N 398.488 2.837 0 40 GFAB Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccccc1 3542874 ZKKPMKLVPXVHES-UHFFFAOYSA-N 381.461 2.600 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2CC(N)=O)c1 7003081 VKTICUCVPDYXKR-UHFFFAOYSA-N 399.451 2.609 0 40 GFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1cccc(-n2cnnn2)c1 7183663 VGWFYGFNMCUWIM-CYBMUJFWSA-N 394.460 2.870 0 40 GFAB O=C([C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1)N1CCCCC1 1888856538 PYHKREGYRVAVCW-CYBMUJFWSA-N 377.794 2.972 0 40 GFAB Cc1nc(N2CC[C@@H](COc3cccc(C(F)(F)F)n3)C2)c2cnn(C)c2n1 1889149464 QYJUYFIYJICLQT-GFCCVEGCSA-N 392.385 2.991 0 40 GFAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 253470861 ACPKZNVRFJHXPA-MRXNPFEDSA-N 394.431 2.796 0 40 GFAB CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 1565523861 YWXPIHMIUSXXJG-CQSZACIVSA-N 393.336 2.867 0 40 GFAB O=C(NCc1cccs1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007621 GEAQIPQWAGILJV-UHFFFAOYSA-N 395.484 2.824 0 40 GFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)N1CCCCC1 4166497 RUZHFVJEIIGWBV-UHFFFAOYSA-N 386.456 2.513 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1OC 8899556 TYTRCENRUWYLBN-MRXNPFEDSA-N 396.534 2.881 0 40 GFAB COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1C 8961566 KUEAVFFXKZRWFA-UHFFFAOYSA-N 390.461 2.577 0 40 GFAB Cc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)cc1F 9659600 IAHBFUWIYLIGQK-UHFFFAOYSA-N 392.390 2.717 0 40 GFAB Cn1cnnc1SCc1cc(=O)c(OCC(=O)c2ccc(Cl)cc2)co1 10220400 STFMRLNJSDARNT-UHFFFAOYSA-N 391.836 2.976 0 40 GFAB C[C@@H]1CCCN(C(=O)CSCC(=O)/N=c2\sc3ccccc3n2C)C1 100825466 LOOMSYQSPCCJAX-LTFJSZEESA-N 377.535 2.659 0 40 GFAB O=C(CN1CCc2[nH]c3c(F)ccc(F)c3c(=O)c2C1)Nc1ccc(F)cc1 49003240 HRLGQRXGNHEIOS-UHFFFAOYSA-N 387.361 2.942 0 40 GFAB O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)Nc1cccc(F)c1 49401685 JALPEFRAGWYYTN-UHFFFAOYSA-N 381.392 2.693 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575614262 XXLKOIGOMNSODL-HNNXBMFYSA-N 385.848 2.642 0 40 GFAB CN(C)C(=O)N1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1 585148431 JUMHXUVETBQMGD-UHFFFAOYSA-N 388.295 2.882 0 40 GFAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCNC(=O)c2ccc3ccccc3c2)no1 40066903 JUZCGPOVTHKNKK-AWEZNQCLSA-N 395.415 2.827 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3sccc3C)C2=O)cc1 20168819 AGTHZVGZYRKFNU-INIZCTEOSA-N 386.473 2.697 0 40 GFAB CCOc1ccc(C(=O)N[C@@H](NCCN(C)C)C(Cl)(Cl)Cl)cc1 20149936 XDSVJTLZDKCZDW-CQSZACIVSA-N 382.719 2.663 0 40 GFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCC2)c2ccc(Br)cc21 40268218 XGYKNLAGKJMMMO-HNNXBMFYSA-N 381.226 2.710 0 40 GFAB Cc1nc(C)c(CC(=O)NCc2cccnc2Oc2cccc(F)c2)c(=O)[nH]1 32690692 AWLUUJUUWBKNOS-UHFFFAOYSA-N 382.395 2.572 0 40 GFAB COc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 102644083 CZSLGTUARNEZAB-HNNXBMFYSA-N 387.395 2.631 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCC(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325495 VJEUXGRHEMDYCU-MRXNPFEDSA-N 375.494 2.604 0 40 GFAB COc1ccc(C(NC(=O)CN2CCO[C@@H](C)C2)c2ccc(OC)cc2)cc1 22384988 MHTTXIKKCNDLJI-INIZCTEOSA-N 384.476 2.630 0 40 GFAB CC(C)N(C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C)C(C)C 1325526 PPVPHDMMTBJUDE-UHFFFAOYSA-N 390.509 2.872 0 40 GFAB COCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O 3493575 CSNXCYQQPXMWHL-UHFFFAOYSA-N 399.472 2.782 0 40 GFAB CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 6225867 XNEPNFAXGKPOPK-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)N1CCC(C)CC1 7363412 VKMNKCKGMDDICB-UHFFFAOYSA-N 389.477 2.763 0 40 GFAB COc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccccc1Cl 7602507 LUWLIQCXUZDRQS-UHFFFAOYSA-N 395.250 2.893 0 40 GFAB Cc1c(C(=O)OCC(C)C)sc2ncn(CC(=O)OCC(C)C)c(=O)c12 958478 CFWQDIZKQHNIOB-UHFFFAOYSA-N 380.466 2.778 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(F)c2)N2CCOCC2)cc1 23761428 YFEOTEVWJNBWPK-LJQANCHMSA-N 388.439 2.646 0 40 GFAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 8085960 CAJPLQFYSMVMRW-GFCCVEGCSA-N 384.860 2.977 0 40 GFAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)NC12CC3CC(CC(C3)C1)C2 8140570 OSQMITMAYYUDSE-HALIQOIHSA-N 389.447 2.576 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(F)c1 12547705 IGZAENQWSFZWHK-IBGZPJMESA-N 376.391 2.920 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)CN3CCCC3=O)cc2F)C[C@@H](C)O1 106104524 RNXNCWBMRGWJGT-KFWWJZLASA-N 392.475 2.572 0 40 GFAB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NCC(F)(F)F 24852253 DDCSRNZJZFNMAV-SNVBAGLBSA-N 384.310 2.756 0 40 GFAB COc1ccccc1[C@H](NC(=O)c1ccc(NC(C)=O)s1)c1nccn1C 12575100 FZJJMPITKDAZGA-KRWDZBQOSA-N 384.461 2.968 0 40 GFAB Cc1nnc2ccc(N3CCC(C(=O)Nc4nc5ccccc5s4)CC3)nn12 20735300 NZMXTQHARPXPSU-UHFFFAOYSA-N 393.476 2.898 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473052 GTFYCUUARMMPNS-CQSZACIVSA-N 399.878 2.780 0 40 GFAB COc1ccc(CCNC(=O)Cc2nc3ccc(C(C)C)cc3c(=O)[nH]2)cc1 57771945 LNODLDMDLCTIII-UHFFFAOYSA-N 379.460 2.957 0 40 GFAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 27312878 DVYOMOVCILNHDO-LBPRGKRZSA-N 396.538 2.622 0 40 GFAB Cc1nn(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c(=O)c2ccccc12 27541471 KHZATSHFVFQLRB-UHFFFAOYSA-N 376.460 2.687 0 40 GFAB Cc1ccc(C)c(OCC(=O)NC[C@H](C)NC(=O)COc2cc(C)ccc2C)c1 2135242 UNZLAZYQHOHCOU-IBGZPJMESA-N 398.503 2.999 0 40 GFAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 10233717 IOBGVMJIWOJJGU-LBPRGKRZSA-N 397.454 2.925 0 40 GFAB COc1cc(NC(=O)c2ccc(-n3cccn3)cc2)c(C(=O)N(C)C)cc1OC 25217070 JSLCAMLPZOWUCO-UHFFFAOYSA-N 394.431 2.844 0 40 GFAB Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c3c(sc2n1)CCC3 3362918 YAOBQLLZKCUVSW-UHFFFAOYSA-N 388.518 2.790 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc(Cl)c1F 21354615 QGDZOXGFLWATHI-LJQANCHMSA-N 387.798 2.811 0 40 GFAB Cc1c(C(=O)O)sc2nc(SCC(N)=O)n(C3CCCCC3)c(=O)c12 36646100 GXRWILDKSATDOF-UHFFFAOYSA-N 381.479 2.547 0 40 GFAB CCOc1cc(CN(CCN2CCOCC2)Cc2cccnc2)ccc1OC 22931413 VIZHKANVPOWOJN-UHFFFAOYSA-N 385.508 2.823 0 40 GFAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)no2)cc1OC 46086322 KFCZLNMSFKVEDJ-UHFFFAOYSA-N 395.371 2.942 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)C2(c3cccc(F)c3)CCCC2)cc1 29565547 OFRSVFZNJASWPD-UHFFFAOYSA-N 390.480 2.644 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(N2CCCC2=O)c1 29716457 OIXSQABLISPEJO-UHFFFAOYSA-N 393.487 2.576 0 40 GFAB Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1-c1ccccc1 2646433 BPFHJLRAFPHBIF-UHFFFAOYSA-N 379.445 2.653 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cnc3sccc3c2=O)c1 12819580 LGTQLTKHNZMSTP-GFCCVEGCSA-N 387.461 2.743 0 40 GFAB Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1Cc1ccccc1 3411325 DKDDVQGTCDYMBJ-UHFFFAOYSA-N 387.490 2.526 0 40 GFAB CCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)c2c1 3519612 RVOSDUPUOXWADI-UHFFFAOYSA-N 376.409 2.921 0 40 GFAB O=C([C@H]1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 12972981 FDRPUGWRANESSJ-FQEVSTJZSA-N 384.501 2.640 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3cccc(F)c3)ccc21 12937241 XOFQUHAARFFRKJ-UHFFFAOYSA-N 376.453 2.946 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N3CCc4nc[nH]c4C3)c(=O)oc2c1C 13549588 MFGPXYKMHCXUHE-UHFFFAOYSA-N 381.432 2.659 0 40 GFAB biogenic COC(=O)c1ccc(CNC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5127309 IOMFEMNCKLTLFE-UHFFFAOYSA-N 385.460 2.849 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)[nH]c(=O)c2)cc1OCC 96007136 ZBBQPVVVWAMSBB-UHFFFAOYSA-N 394.811 2.621 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1ccccn1 6660969 PGTDIVFDRAWIQL-LJQANCHMSA-N 393.443 2.694 0 40 GFAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(Cl)cc1 6671744 QSDFCDMSUWKGIN-ZDUSSCGKSA-N 397.866 2.924 0 40 GFAB O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccccc1 4712039 IISIMOXHEADDPV-UHFFFAOYSA-N 383.467 2.961 0 40 GFAB Cc1occc1C(=O)NC1CCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 66479898 UHDBLUOEPYUBDJ-KUHUBIRLSA-N 384.432 2.537 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)OCc1nnc(-c2ccccc2)o1 7569586 UDVVPDMSDMXLEU-UHFFFAOYSA-N 384.417 2.606 0 40 GFAB CCOc1ccccc1C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 8065059 MBZQGSATYQOIPU-UHFFFAOYSA-N 386.423 2.730 0 40 GFAB COc1cccc(CNC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1 16960355 INYLTJMBHOKBNA-UHFFFAOYSA-N 379.441 2.936 0 40 GFAB Nc1cc(N)nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)n1 8458447 GLHFXNAGVDPYBL-HNNXBMFYSA-N 393.472 2.900 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)NC(C)C 408607947 RDNDXXDDYBFMQI-UHFFFAOYSA-N 390.461 2.705 0 40 GFAB COc1ccc(-c2cc(C(=O)NCc3ncn(C)n3)nn2-c2ccccc2)cc1 91885780 MSAAAWGVRIWLMQ-UHFFFAOYSA-N 388.431 2.606 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccccc1C(F)(F)F 95349795 VMBDJFGRKHALOF-HNNXBMFYSA-N 378.350 2.523 0 40 GFAB CC(C)COC(=O)N1CCN(c2ccc(C(=O)N3CCC[C@@H](C)C3)cn2)CC1 95958814 KGHKYSUNJRHJBQ-QGZVFWFLSA-N 388.512 2.868 0 40 GFAB Cc1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)ccc1N1C(=O)CCC1=O 95958855 IELNYJNZHFDPOG-HNNXBMFYSA-N 377.400 2.713 0 40 GFAB CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 61722012 SKLQTPJYOZATQK-FQEVSTJZSA-N 386.540 2.992 0 40 GFAB Cc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 67284476 FFIBZOWKKODUDP-UHFFFAOYSA-N 380.427 2.958 0 40 GFAB CC(C)(C)SCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 66739815 XSMLPUYIXVLROV-HNNXBMFYSA-N 384.567 2.735 0 40 GFAB CCOC(=O)c1nnsc1NC(=O)NCCc1c[nH]c2ccc(OC)cc12 33436135 WPHFOBVNXPMFPB-UHFFFAOYSA-N 389.437 2.569 0 40 GFAB Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCCN(C)C)c12 36618345 VATKMUDHRKSISM-UHFFFAOYSA-N 382.420 2.608 0 40 GFAB Cn1nnc(-c2ccc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc2)n1 36752522 UUHYDNFVJOLXKK-HXUWFJFHSA-N 390.491 2.834 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3nccn3C)C2)nc2c1CCCN2CC1CC1 72380228 FTBBGJFBIUAMTB-QGZVFWFLSA-N 394.523 2.701 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241661 KLALBHKZBFPJKJ-RBUKOAKNSA-N 388.443 2.757 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cc1ccccn1)c1ccccc1O2 72327748 FKJCBGVNKKOINO-PGRDOPGGSA-N 379.460 2.645 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640113 KEGDUKOXYKDVSL-ZDUSSCGKSA-N 393.358 2.865 0 40 GFAB Cc1cnc(C(=O)N2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)cn1 72338379 VXKLVJLZKPOEPK-UHFFFAOYSA-N 395.850 2.844 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 70640192 BPPJVJBGQLPZLI-MLGOLLRUSA-N 380.366 2.732 0 40 GFAB Cc1cc(N2CCCC2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015527 IIQFBBSJXNQLCB-UHFFFAOYSA-N 385.493 2.643 0 40 GFAB CCC[C@@H](C)NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225048113 XWUJYTZIFKVEQH-OAHLLOKOSA-N 382.526 2.717 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220630067 DAXRKASZRZZZKT-SFHVURJKSA-N 394.468 2.695 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1Cl 224180400 FCCXARYTHJDKBG-UHFFFAOYSA-N 396.896 2.853 0 40 GFAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)CCn2ncc3ccc(Cl)cc32)C1 223194187 ZURAQEWRKAOCRE-OAHLLOKOSA-N 376.888 2.843 0 40 GFAB O=C(O)C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1nc2cnccc2[nH]1 514289076 NFLVYZFYGNIADI-HOTGVXAUSA-N 378.432 2.754 0 40 GFAB biogenic,in-vitro COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1 96373298 URZGJPDCZKLXGE-SFHVURJKSA-N 377.404 2.771 0 40 GFAB biogenic CCN1CC2(CCN(Cc3ccco3)CC2)COc2ccccc2S1(=O)=O 96037139 FRHOIYRRHHEAKZ-UHFFFAOYSA-N 390.505 2.965 0 40 GFAB O=C(C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21)NC1CC1 96053017 BDNMPBMHSCOAER-OAHLLOKOSA-N 388.533 2.668 0 40 GFAB CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cnc(-c3ccccc3)[nH]1)C2 585081447 LAPJNNCLOCOTKY-UHFFFAOYSA-N 396.516 2.885 0 40 GFAB O=C1CCCN1C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn2C1 247813218 CDFKDGHGVQDQEO-OAHLLOKOSA-N 376.863 2.930 0 40 GFAB Cc1cc(Nc2cc(CC3CCN(C(=O)[C@@H](N)CC(C)C)CC3)nc(C)n2)[nH]n1 257245230 IOPSSECZWFZYQX-SFHVURJKSA-N 399.543 2.715 0 40 GFAB COCCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257306620 SVBJKUNTIGWGOM-MRXNPFEDSA-N 376.428 2.774 0 40 GFAB Cc1nccc(C(=O)N2CC[C@H](Cc3cnc(-c4c(C)noc4C)cn3)C2)n1 257216996 CXASHAUZTIJGNH-OAHLLOKOSA-N 378.436 2.552 0 40 GFAB Cn1cc(-c2cccs2)nc1CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 90606965 IHCPLMVASYAOLA-HNNXBMFYSA-N 394.500 2.860 0 40 GFAB O=C(NCc1cccc2c1CCOC2)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 634320552 OHVOXEDEYMFBFC-MRXNPFEDSA-N 382.435 2.958 0 40 GFAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](N2CC[C@H](O)C2)C1 647707245 ZMDLUCNUWRBXPU-OLZOCXBDSA-N 397.953 2.735 0 40 GFAB COc1ccc(Oc2cc(CNS(=O)(=O)N3CCC[C@H](C)C3)ccn2)cc1 48279608 RUQRDMUQTHBBMF-HNNXBMFYSA-N 391.493 2.949 0 40 GFAB O=C(Nc1cccnc1N1CCOCC1)[C@H]1CC(c2ccc(Cl)s2)=NO1 56164669 SWRBEGVMDHHCAO-CYBMUJFWSA-N 392.868 2.765 0 40 GFAB c1ccc(-c2cc(N3CC[C@H](OCCN4CCCCC4)C3)n3ncnc3n2)cc1 84560046 ZVYFCMQXOBZEDQ-IBGZPJMESA-N 392.507 2.873 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CCN(C)CC2)nc1-c1cnc(C)cn1 72337668 BFNBNTGXDCZDLD-UHFFFAOYSA-N 379.468 2.520 0 40 GFAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)on3)C2)nc1 1775970201 GNYPDOBPJIPMHD-OAHLLOKOSA-N 379.420 2.766 0 40 GFAB CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)N(C)C(=O)[C@@]12Cl 5712192 HJLALHCILCKSMC-SQBLYHGDSA-N 381.815 2.815 0 40 GFAB COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 5880047 MNQODKIPLIHLRU-UHFFFAOYSA-N 382.460 2.872 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1cc(F)ccc1OC 13581122 QSHPJVKLQGNUJK-AWEZNQCLSA-N 394.468 2.722 0 40 GFAB C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc2ccccc2c1 17962698 OCECUVIUZTZATO-AWEZNQCLSA-N 381.457 2.515 0 40 GFAB Cc1nc(C)n(CCC(=O)N2CCc3onc(Nc4ccccc4F)c3C2)n1 19286000 XUXXMNYNBGXODG-UHFFFAOYSA-N 384.415 2.741 0 40 GFAB Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CCN(Cc1ccccc1)C2 19286130 UBNGLSVTBDNRFO-UHFFFAOYSA-N 394.519 2.559 0 40 GFAB Cn1c(=O)n(C)c2cc(CN3C[C@@H]4CCCN4C[C@@H]3Cc3ccccc3)ccc21 19289800 KTARSRHFDKLUFI-SFTDATJTSA-N 390.531 2.768 0 40 GFAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)[nH]n2)c(OC)c1 19662662 ZKUBQWGPOBFHKR-UHFFFAOYSA-N 394.387 2.677 0 40 GFAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN2C(=O)CCc2nc(C)no2)n1 19690808 RWGIDMIWFJKNBZ-GOSISDBHSA-N 378.436 2.835 0 40 GFAB Oc1cc(C2CCN(Cc3cccnc3)CC2)nc(NCC2CCOCC2)n1 19717480 DPMUSAMCKLMOAQ-UHFFFAOYSA-N 383.496 2.795 0 40 GFAB COc1ccc(Br)c(C(=O)N[C@@H]2CCN(c3nccs3)C2)c1 206810192 URCUXQSENBYYMJ-SNVBAGLBSA-N 382.283 2.923 0 40 GFAB CC(C)(C)c1cc2nc([C@@H]3CCN(C(=O)CCc4ccno4)C3)cc(O)n2n1 12162080 IFWYOOAQQBJKKB-CYBMUJFWSA-N 383.452 2.669 0 40 GFAB CCc1nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)sc1C 36398569 NIAJTMWECPATMO-SFHVURJKSA-N 390.440 2.559 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc3c(c2)OCO3)cc1 6050408 QVSMBDGAWWXTFD-GOSISDBHSA-N 381.388 2.691 0 40 GFAB Cc1n[nH]c(C)c1C(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888897039 QNBGLJJUHSVQMY-UHFFFAOYSA-N 380.427 2.585 0 40 GFAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C2)nn1 1888897394 AETOHPOFCMBGOB-CYBMUJFWSA-N 380.452 2.587 0 40 GFAB Cc1csc(C(=O)N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)c1 1888897659 SGSXOIVJQFXFOG-ZDUSSCGKSA-N 383.477 2.913 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 23701740 SXJBRRYAHSQADS-OAHLLOKOSA-N 386.473 2.581 0 40 GFAB c1cnc(N2CCN(CCCNc3ncnc4sc5c(c34)CCC5)CC2)nc1 23888283 SYHWWMMTVSOROF-UHFFFAOYSA-N 395.536 2.594 0 40 GFAB Cc1ccc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037984626 HPEYHNZRJYVXGX-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB CCc1cc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)on1 2037985084 XJYPTJOKHZKVIA-OAQYLSRUSA-N 383.448 2.665 0 40 GFAB COc1cnc(O[C@H]2CCN(c3nc4c(OC)ccc(OC)c4s3)C2)nc1 2087155504 STEUXQTUMSCPPN-NSHDSACASA-N 388.449 2.770 0 40 GFAB Cc1ccn2cc(CCNS(=O)(=O)c3ccc(Br)cc3)nc2c1 2961130 MZHDSJABSRPMCZ-UHFFFAOYSA-N 394.294 2.926 0 40 GFAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C12CC2)c1ccc(Cl)cc1Cl 4380407 JTZFHKVDVOTUHR-XCCSTKFXSA-N 377.227 2.835 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)s1 8961617 ZESKQBFYPWUKFA-UHFFFAOYSA-N 380.491 2.966 0 40 GFAB CN1CCN([C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)O)CC1 22584913 JHIZQSHPAKYDQJ-LJQANCHMSA-N 383.448 2.508 0 40 GFAB Cc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccno3)nc12 23128109 CWVSTIKZKNSPGX-UHFFFAOYSA-N 386.477 2.880 0 40 GFAB C[C@@H](NC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2)no1)c1ccccc1 40070221 JGAZUDJVBZRJMI-CQSZACIVSA-N 385.445 2.529 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)Nc1ccc(N2CCCCC2)nc1 40086401 PNXGGFMJELUILQ-UHFFFAOYSA-N 396.495 2.625 0 40 GFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 50027686 ZFLBXJABAWXTGR-IBGZPJMESA-N 395.503 2.913 0 40 GFAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCCOc2ccccc2)C1=O 21585868 DUEHFBSZGMWHNU-NRFANRHFSA-N 382.416 2.737 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccnc1OC1CCCC1 32915200 ZCVBRDIISHFCFV-UHFFFAOYSA-N 393.443 2.706 0 40 GFAB Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)c1 21965749 FKHRARCZWDDEHT-QGZVFWFLSA-N 381.451 2.836 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(Cc2ccccn2)CC1 33237789 JFCGKLZZQNNEAQ-UHFFFAOYSA-N 393.466 2.981 0 40 GFAB Cc1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1C(N)=O 103237938 WMFGLGDGJPCVQQ-GOSISDBHSA-N 380.492 2.780 0 40 GFAB O=c1[nH][nH]c(=O)c2c1nc(SCc1ccccc1F)n2Cc1ccccc1 1598441 KNPNZGIUDBEIDZ-UHFFFAOYSA-N 382.420 2.893 0 40 GFAB CCCCOC(=O)Cn1c(=O)n(CC(=O)OCCCC)c2cc(C)ccc21 2275103 MMFYJMJERKDOJZ-UHFFFAOYSA-N 376.453 2.798 0 40 GFAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 2642427 KWXZSBSXICMWTC-UHFFFAOYSA-N 390.461 2.547 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)s1 3292541 LWWNPSHXPZVECI-UHFFFAOYSA-N 398.387 2.570 0 40 GFAB CCOC(=O)c1c(N)sc(C(=O)NC)c1COC(=O)/C=C/c1cccs1 3305892 FHGZKUCMPMZXMA-VOTSOKGWSA-N 394.474 2.685 0 40 GFAB COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCC(N)=O)cc1Cl 3490684 PCEYHOCBTDXILR-JYRVWZFOSA-N 391.836 2.904 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)NC1CCCC1 3532290 MFDVVJUXCUHNHS-CQSZACIVSA-N 397.475 2.727 0 40 GFAB COc1ccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC 3637284 MQGGQDXERHMFSO-MHWRWJLKSA-N 383.404 2.522 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccco2)ccc1OC(F)F 4341052 SDXZGPMICRISDH-FNORWQNLSA-N 381.331 2.762 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 4393292 NMPFJWNIAMWBKN-DXWTWGPWSA-N 377.437 2.638 0 40 GFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(Cl)c(Cl)c1 4512362 XDBLINCRGNVXGY-FKFWPICOSA-N 384.215 2.673 0 40 GFAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Cl)cc32)c(OC)c1 4555368 BHSYPKRJSUVVHU-IBGZPJMESA-N 375.808 2.794 0 40 GFAB COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 5018276 DAMZGDLRWJEGHT-IBGZPJMESA-N 398.415 2.564 0 40 GFAB COc1ccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 5624382 ZBIBZBFLIFPERQ-UHFFFAOYSA-N 395.419 2.637 0 40 GFAB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O 5706599 HHQRCSLQNBJJBX-HOTGVXAUSA-N 396.509 2.794 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@H](C)C2)ccc1C 6882069 MSHKXQXQOHUEIY-HNNXBMFYSA-N 381.542 2.696 0 40 GFAB C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)N1CCc2ccccc2C1 6916671 ONWDDOGNGRZQGV-GFCCVEGCSA-N 389.249 2.974 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)[C@H](NC(=O)c1ccco1)C(C)C 7735447 PPGIXCTUGHICRR-GOSISDBHSA-N 388.420 2.533 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 7957331 TXMLNOLHALXZDD-CJNGLKHVSA-N 387.509 2.854 0 40 GFAB CN1C2=C(C(=O)CCC2)C(c2ccc(OCC(N)=O)cc2)C2=C1CCCC2=O 8091662 QOAZCNSRIBYUQU-UHFFFAOYSA-N 380.444 2.594 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc3ccccc3o2)C1=O 8314538 XTVBYNHWAGLFEU-FQEVSTJZSA-N 379.372 2.566 0 40 GFAB COc1cc(OC)cc(N2C(=O)CS[C@]23C(=O)N2CCCc4cccc3c42)c1 8559985 KNXCZQPVXXZUSV-OAQYLSRUSA-N 396.468 2.929 0 40 GFAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 8746556 IWRYTCRWYOFMAE-LJQANCHMSA-N 399.472 2.649 0 40 GFAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1Cl 8863686 QQSQJEGTUUUDSA-AWEZNQCLSA-N 381.885 2.768 0 40 GFAB COc1ccc(N2C(=O)[C@H]3C(C4=Cc5ccccc5O[C@@H]4C)=NO[C@H]3C2=O)cc1 9302705 FGHSPVBCHQTHCN-CCMJGWDWSA-N 390.395 2.804 0 40 GFAB CCn1nnnc1SCC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C 9745400 RMICGZSWONWMRS-UHFFFAOYSA-N 399.476 2.863 0 40 GFAB O=c1c2ccccc2nnn1CSc1nnc(-c2cccnc2)n1C1CC1 9868045 AIVQGYCVRYUNDQ-UHFFFAOYSA-N 377.433 2.530 0 40 GFAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C3CCCCC3)nc21 10188004 LICZQLMQAVHRQT-UHFFFAOYSA-N 381.436 2.654 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1C 10301300 CTRSRZZTZYZNFU-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB CC(=O)Nc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1Cl 10945288 MNPUURCJKUQXEF-UHFFFAOYSA-N 396.838 2.805 0 40 GFAB COc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 11000773 VFIGNBCVMCKUDL-UHFFFAOYSA-N 388.489 2.540 0 40 GFAB CC(=O)N[C@H](CC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1cccs1 11966531 HUVIESVUNAMQNY-QGZVFWFLSA-N 385.489 2.980 0 40 GFAB CCn1ncc(C(=O)N2CCC3(CC2)CN(C(C)=O)c2ccccc2N3)c1C 12086137 LYHWIJSQPYCSEN-UHFFFAOYSA-N 381.480 2.665 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 12196547 NCVGXDBQLQJWFZ-OAHLLOKOSA-N 382.869 2.650 0 40 GFAB Cc1nc2cc([C@@H]3CCCN3C(=O)CCc3cc(Cl)no3)nn2c(O)c1C 12336971 LEIVKHVUFUTKSZ-AWEZNQCLSA-N 389.843 2.989 0 40 GFAB COc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)N(C(C)=O)c2ccccc23)cc1 12416896 WSJNHNSFWHJOLK-FKIZINRSSA-N 382.441 2.910 0 40 GFAB CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@H]1CCS(=O)(=O)C1 12815650 NPZPBLCWWMMXDI-JTQLQIEISA-N 388.515 2.633 0 40 GFAB CCN(CC)C(=O)[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 12974773 MTMYEZNNYYKXBK-GOSISDBHSA-N 389.473 2.857 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 12987230 JQZXTYBTWRUMBN-HNNXBMFYSA-N 398.488 2.812 0 40 GFAB COc1ccc(C(=O)NCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1OC 14094404 PBWJGQBIDGHANJ-UHFFFAOYSA-N 398.246 2.961 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)NC(=O)OCc1ccccc1 14239766 FZFJWSYKGXGONK-MRXNPFEDSA-N 383.448 2.673 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 15002267 NUPLMIXQXJCMIO-UHFFFAOYSA-N 376.331 2.502 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccncc1 15565529 QMKOYGOCDUYYNB-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc2c1OCCO2 17184995 XFPKDLMUBILQOS-CYBMUJFWSA-N 383.400 2.601 0 40 GFAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccnc(N3CCCC3)n2)CC1 19021159 IXYCYZGAARJUNF-UHFFFAOYSA-N 397.498 2.843 0 40 GFAB Cn1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)n1 19291000 XLLQAZYTPZVTCP-UHFFFAOYSA-N 390.422 2.915 0 40 GFAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)COc3ccccc3)C[C@@H]12 19528266 ZLZJIZYMLBYGRQ-XXBNENTESA-N 392.455 2.641 0 40 GFAB COc1ccc(CC(=O)N2CC[C@]3(CCc4ccccc4C(=O)N3)C2)cc1OC 19560404 MICOVAJVEGONKG-HSZRJFAPSA-N 394.471 2.594 0 40 GFAB Cc1noc(C)c1Cc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)noc1C 19580986 OBIWTUGYHGZPAJ-UHFFFAOYSA-N 396.403 2.786 0 40 GFAB CN1CCc2nc(C3CCN(C(=O)c4cccc(N(C)C)c4)CC3)ncc2C1 19590695 PTXHRILZJVERMV-UHFFFAOYSA-N 379.508 2.550 0 40 GFAB CCn1cncc1C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 19708279 SMXSORSQBWFFLK-UHFFFAOYSA-N 395.507 2.990 0 40 GFAB CCn1cncc1C(=O)N1CCC[C@H](c2ccc(C(=O)NC3CCCC3)cn2)C1 19754741 JJVAGIHNZXAOKB-KRWDZBQOSA-N 395.507 2.990 0 40 GFAB O=C(CS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cn1 19851996 HAUWKPULDMRKCD-UHFFFAOYSA-N 389.658 2.910 0 40 GFAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccon1 22766717 LJRKYDBPHLGZJZ-KRWDZBQOSA-N 396.472 2.590 0 40 GFAB CN(C)Cc1ccccc1CNC(=O)Cn1c(S)nnc1-c1cccs1 24084793 IQWDFFWGVBCBAB-UHFFFAOYSA-N 387.534 2.673 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 24362557 QPULROKMMAEZGI-UHFFFAOYSA-N 388.489 2.548 0 40 GFAB CN(Cc1cnn(C)c1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 24470525 QQKJKLPLOMTKPX-UHFFFAOYSA-N 390.490 2.555 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)N1CCC[C@@H](C)C1 28083963 FAUCCVDZHCUADH-OAHLLOKOSA-N 376.526 2.615 0 40 GFAB O=C(NCc1cccnc1-n1ccnc1)c1cccc(NC(=O)c2cccnc2)c1 29238977 JIYJEFNCPDKYBB-UHFFFAOYSA-N 398.426 2.845 0 40 GFAB Cc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cs2)cc1 30583761 KLGQVANLPPKBLJ-OAHLLOKOSA-N 393.534 2.662 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 31040818 XASSGLVPYHCESG-QGZVFWFLSA-N 382.460 2.670 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 31517262 FBXXBWHJTPFMPI-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)cc1C 32439918 VPZRCBHPIARXSD-INIZCTEOSA-N 382.526 2.567 0 40 GFAB COC(=O)c1c(COC(=O)[C@@H](C)NC(=O)c2ccco2)nc2ccccc2c1C 32842563 UZDJQXOJXRKQAO-CYBMUJFWSA-N 396.399 2.785 0 40 GFAB COc1cccc(C(=O)Nc2nn(C)c3c2[C@@H](c2ccco2)CC(=O)N3)c1OC 35597876 GRPIGSGWNNMJSD-GFCCVEGCSA-N 396.403 2.757 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCc3ccccc32)c1=O 44840683 DNTWLCKRXIDQNQ-OAHLLOKOSA-N 377.444 2.724 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCOc1ccc(Cl)cc1 45371010 JQGJNMRNDXQSEV-UHFFFAOYSA-N 386.835 2.911 0 40 GFAB CN1CCCN(c2ccc(CNC(=O)[C@@H]3CCCc4ccccc43)cn2)CC1 48325767 IWJKDZGAUHKBOC-OAQYLSRUSA-N 378.520 2.960 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C 50448844 YMUQURJWJAOCDL-HNNXBMFYSA-N 377.485 2.970 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 57897907 UJOBRMSVPVFLGO-GFCCVEGCSA-N 382.869 2.552 0 40 GFAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CN1C(=O)COc2ccccc21 58191158 JURLLELJIKGGOI-UHFFFAOYSA-N 380.379 2.590 0 40 GFAB O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(OCC(F)(F)F)nc1 58202812 CGUICYWCKNQWMX-UHFFFAOYSA-N 377.326 2.915 0 40 GFAB O=C(CCc1nc(-c2cccnc2)no1)NCc1ccccc1N1CCCC1 58225322 AOIKHYIRGCGOSD-UHFFFAOYSA-N 377.448 2.981 0 40 GFAB O=C(NC1=NCCS1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 60299447 JQNBNUATZQXPFU-UHFFFAOYSA-N 392.282 2.740 0 40 GFAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(C2CCC2)s1 61718530 OVVANBHTXFBPBK-CYBMUJFWSA-N 385.449 2.925 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1 67320338 IGNLEXPRTKJDCX-UHFFFAOYSA-N 381.407 2.702 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 72243080 IOOYVYQPLCCIEH-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB CC(C)NC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 77262549 HQDAZGPRTONRNK-JENIJYKNSA-N 391.443 2.639 0 40 GFAB biogenic,in-vitro CN(C(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79440351 YYXPLXZRAIALIV-PBHICJAKSA-N 376.453 2.684 0 40 GFAB CCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cc1 80827219 BYTVJEDYGNQEQW-UHFFFAOYSA-N 380.554 2.860 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 85420806 PWNRLDPQVXUNFA-DKXUYOFUSA-N 379.416 2.525 0 40 GFAB Cc1nnc2n1C[C@@H](C(=O)N(C)CCCc1cc(-c3ccccc3)n(C)n1)CC2 89740833 YQCDDFOUYITJSR-SFHVURJKSA-N 392.507 2.641 0 40 GFAB Cc1c(NC(=O)Cc2cc3ccccc3[nH]c2=O)cccc1N1CCOCC1 95458594 MDDSILQZTUWWHZ-UHFFFAOYSA-N 377.444 2.854 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O 95972143 PVINYUUSUQGEJT-YVEFUNNKSA-N 381.881 2.904 0 40 GFAB COC1CCC(CCNC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 96013957 SWFHQHWQKDMZTD-UHFFFAOYSA-N 396.553 2.879 0 40 GFAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)o3)CC2)O1 96036867 LHORDNFFOGMVDS-SFHVURJKSA-N 386.496 2.543 0 40 GFAB Cc1cccc(OC2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)n1 96119533 SPLOHBKZHSOHAJ-UHFFFAOYSA-N 388.489 2.624 0 40 GFAB CN(C)C(=O)CN1CCC2(CC1)CN(C(=O)NC1CCCC1)Cc1ccccc12 96242446 YZPJMOQPMQOZIU-UHFFFAOYSA-N 398.551 2.576 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100033314 MQNMSQFOYXDPNX-SJORKVTESA-N 397.822 2.580 0 40 GFAB O=S(=O)(NC1=NCCC1)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 104747839 DRCBKVXZACESLO-HEHGZKQESA-N 392.550 2.632 0 40 GFAB CC[C@@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CCN1C[C@H](C)O 108089258 HLFWMXNDJMKGGN-LAUBAEHRSA-N 386.536 2.832 0 40 GFAB COC(=O)c1cn(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c2ccccc12 222601921 JFHIQFALLQRZJQ-UHFFFAOYSA-N 386.429 2.796 0 40 GFAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C(C)C 223368637 JAEMIDBTLRLKEU-HNNXBMFYSA-N 396.553 2.976 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@H](c3noc(-c4ccccc4)n3)C2)c1 238875905 OANJBZSDDYIIGJ-HNNXBMFYSA-N 385.445 2.923 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 250667321 JIJROGLNYQYHBP-CJNGLKHVSA-N 378.856 2.555 0 40 GFAB O=C([C@H]1CCCN(c2ncc(Br)cc2Cl)C1)N1CCOCC1 302740413 QHVBCKWTNLMRBJ-NSHDSACASA-N 388.693 2.573 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3cncc(Br)c3)CC2)nc(C)n1 390826508 NBNFNWNIXZXASU-UHFFFAOYSA-N 391.269 2.935 0 40 GFAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408681303 HPWRTLBCRJAOPS-RNIPGJKVSA-N 375.428 2.800 0 40 GFAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)OCN2C(=O)OCc2ccccc2)cc1 408736850 JDMFSPIUTWTAGE-GOSISDBHSA-N 398.415 2.936 0 40 GFAB CCS(=O)(=O)N1CCC(CNc2nnc(-c3ccc(OC)cc3)s2)CC1 515151265 DZIWRAUERBWJHR-UHFFFAOYSA-N 396.538 2.687 0 40 GFAB CS(=O)(=O)c1cccnc1CNC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 516549617 MBTPCBAFVLLVFA-QGZVFWFLSA-N 399.516 2.964 0 40 GFAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(CCc2ccccc2)CC1 569652028 NRPBIAUJNCWGSW-UHFFFAOYSA-N 380.414 2.597 0 40 GFAB C/C(=C\c1ccccc1)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575611580 GHUUJEQHYNODCU-FMIVXFBMSA-N 375.425 2.999 0 40 GFAB Cc1cc(C)n([C@H](CNC(=O)Cn2c(=O)oc3ccccc32)c2ccsc2)n1 575613642 IZJWNFUROIRNID-QGZVFWFLSA-N 396.472 2.875 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(F)cc3C2)cc1 575615429 FIRBEVJKFDWIQF-UHFFFAOYSA-N 380.397 2.587 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)[C@@H]1OCCc2ccccc21 585149512 YQMIULQMZJXBSP-JOCHJYFZSA-N 392.503 2.754 0 40 GFAB O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 585262190 UQPYBCYUTCIOTG-HTDNTCHWSA-N 394.515 2.781 0 40 GFAB COc1ncc(Br)cc1CN1CC2(CCOCC2)CC[C@@H]1CO 625760698 DCSUDAIIJFISJT-OAHLLOKOSA-N 385.302 2.606 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCc3c(F)ccc(C(=O)O)c3C2)C1 630238729 MPQSTLHUWGONSZ-KBPBESRZSA-N 390.455 2.693 0 40 GFAB CS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 664373455 HGPJRKJQHSKRJK-CQSZACIVSA-N 397.497 2.914 0 40 GFAB C[C@@]1(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccc5c(c4)CCC=C5)C[C@@H]32)C[C@H]2CC[C@H]1O2 1615057427 CNXKPPCPFWEUCD-KVRBJELTSA-N 392.499 2.790 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615161184 WMLSLSJDDZDJEL-NRFANRHFSA-N 383.423 2.567 0 40 GFAB CC(C)[C@@H](CNC(=O)N1CCC2(CC1)NC(=O)CO2)c1ccc(Cl)cc1 1615589300 KHTRDQSUAWOXGZ-MRXNPFEDSA-N 379.888 2.728 0 40 GFAB O=C(c1cccc(-n2cccn2)c1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775972899 BJPBXYHHUWPWKR-UHFFFAOYSA-N 397.438 2.793 0 40 GFAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc(-c4cccc(F)c4)nn3)C2)cn1 1888901031 LBKUWZPQYFQRDZ-CQSZACIVSA-N 381.411 2.557 0 40 GFAB Cc1cc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n2ncnc2n1 1889149329 AAKYABRLDRZXBR-JSGCOSHPSA-N 389.385 2.562 0 40 GFAB Cc1cc(C)c2[nH]c(CCC(=O)N[C@@H]3CCC[C@@H](n4ccnc4)[C@@H]3O)nc2c1 2037883919 IBQGUWDAQAEMDH-QLVMHMETSA-N 381.480 2.580 0 40 GFAB CC(C)c1ccc(NC(=O)C[C@H]2N=C(NC(=N)Nc3ccccc3)NC2=O)cc1 12322706 ODFUJRAWWKYNLB-QGZVFWFLSA-N 392.463 2.629 0 40 GFAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(-n2cccn2)c(Cl)c1 78965059 QFZHVIHITLJWRH-UHFFFAOYSA-N 381.797 2.926 0 40 GFAB O=C(OCCOCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1680398 XOWLDEHHHUQXRB-UHFFFAOYSA-N 396.865 2.830 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc(-c3ccccc3)ns1)C2=O 42090833 DGJUGDMNKSRUEZ-CWTRNNRKSA-N 399.476 2.644 0 40 GFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@@H](C)CCc1ccccc1 47327788 MKKHCKSWDWUEOV-HNNXBMFYSA-N 376.460 2.820 0 40 GFAB CC(C)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3434813 ORXKIIFVWJSMFD-UHFFFAOYSA-N 380.400 2.588 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCC[C@H]2CCCC[C@@H]21 22805349 YJKVTAQZLORGBO-UXHICEINSA-N 399.535 2.714 0 40 GFAB CCCCn1nc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1=O 22916099 NPLMQPKWDFFWOB-UHFFFAOYSA-N 390.871 2.786 0 40 GFAB COCCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2ccccc2c1=O 4187666 GTGUXLKWMNQDHU-AWEZNQCLSA-N 375.494 2.536 0 40 GFAB CCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 4248053 FCYMNAVSCSTWLW-UHFFFAOYSA-N 391.474 2.855 0 40 GFAB COc1ccc2oc(C(=O)OCC(=O)NC(=O)NCc3ccco3)c(C)c2c1 4524803 CFIBCPWXMWDAOD-UHFFFAOYSA-N 386.360 2.526 0 40 GFAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 6326772 RIFBJASKTJPBJC-UHFFFAOYSA-N 392.477 2.647 0 40 GFAB CC(C)[C@@H](CNC(=O)c1occc1COc1ccccc1)N1CCN(C)CC1 42580793 YQQQAMCLWQOTKF-HXUWFJFHSA-N 385.508 2.860 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNCCc1cccc(Cl)c1 23731641 SRQLEMOCNMABTE-QGZVFWFLSA-N 381.929 2.845 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1COc2ccccc2C1 24632435 OVUMAUNKWZITMY-ICSRJNTNSA-N 384.451 2.567 0 40 GFAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4[C@H](C)CCC[C@H]4C)cnc32)c1 25440538 XCLIIGWXOTXBJK-IAGOWNOFSA-N 393.491 2.989 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC2=CCCCC2)cc1 25717050 NBKGNBVIYZFYLE-IBGZPJMESA-N 392.521 2.855 0 40 GFAB COC(=O)[C@](NNc1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F 2050393 CNWIDLMXJJUTGO-MRXNPFEDSA-N 385.317 2.604 0 40 GFAB COC[C@H](C)n1c(S[C@@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O 58194780 JQFHYCAVWHHLHQ-XJKSGUPXSA-N 377.510 2.809 0 40 GFAB Cc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 10216355 MBVQVNPJEYLYBD-UHFFFAOYSA-N 396.443 2.980 0 40 GFAB CC(=O)Nc1cccc(-n2nnnc2SCc2nc3ccccc3n2C)c1 58217556 FLZOXFXUPRQMKS-UHFFFAOYSA-N 379.449 2.800 0 40 GFAB C[C@H]1CN(C(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)C[C@@H](C)O1 12644378 BOCVOJJPNBBAQJ-GRYCIOLGSA-N 391.449 2.582 0 40 GFAB COc1ccc2[nH]c(C(=O)O)c(NS(=O)(=O)c3cc(C)ccc3OC)c2c1 2241303 RGQHWBQUWGSSBZ-UHFFFAOYSA-N 390.417 2.993 0 40 GFAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 2205929 KFRCRHKTJRJHRD-SFHVURJKSA-N 381.384 2.699 0 40 GFAB Cc1ccc(F)cc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11160160 TWCDXFSIKJUQSU-KRWDZBQOSA-N 376.453 2.766 0 40 GFAB C[C@@H]1CCc2c(sc3nc(SCCN4CCCCC4)n(N)c(=O)c23)C1 36646185 HODAKYUFURCYBF-GFCCVEGCSA-N 378.567 2.875 0 40 GFAB CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)c3ccc[nH]3)[nH]c2c1 3373744 GUEJYSONNVACAH-UHFFFAOYSA-N 392.506 2.944 0 40 GFAB Cn1ccnc1[C@@](O)(CCNC(=O)C1(c2ccccc2)CCC1)C(F)(F)F 48354476 VMAMGKGSKJVSED-SFHVURJKSA-N 381.398 2.798 0 40 GFAB O=C(Cc1ccc2ccccc2c1)NCCCN1C(=O)NC2(CCCC2)C1=O 10425437 ZMVADZMCDCSHNM-UHFFFAOYSA-N 379.460 2.753 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1Cl 10541685 CVPWGLYNQSPWKQ-STQMWFEESA-N 388.917 2.762 0 40 GFAB CCc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3)c2N)cc1 2687368 DCLBMFGKMFIOCZ-UHFFFAOYSA-N 378.436 2.622 0 40 GFAB COc1cccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 22332152 HUSBXMVAYZJJMG-INIZCTEOSA-N 390.505 2.955 0 40 GFAB O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccc(F)cc1F 23127482 HNVFGGUCIAUNHS-UHFFFAOYSA-N 377.391 2.525 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1 12849341 WCPOYWHYNRUVPV-UHFFFAOYSA-N 383.467 2.850 0 40 GFAB CN1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 306143189 XVNOKLACECYZDA-JOCHJYFZSA-N 376.508 2.720 0 40 GFAB CCc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 9112062 YGKSZLIJAYBRSX-MRXNPFEDSA-N 377.466 2.646 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1cccc(F)c1 12944214 SSNXZSKZAYYUPV-KDOFPFPSSA-N 376.453 2.856 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)Cn2cnc3ccsc3c2=O)c1 12995378 KGWSNIANLARIIO-UHFFFAOYSA-N 384.461 2.579 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(F)c(F)c1 12995552 BPHIAXIUGKOIIN-NSHDSACASA-N 380.416 2.778 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)c1 13001543 PPFSHIIARHMGNQ-UHFFFAOYSA-N 394.537 2.940 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4cccc(F)c4)C[C@@H]2S3(=O)=O)cn1 306127198 FRLDURIMZUNAAW-CTNGQTDRSA-N 397.475 2.982 0 40 GFAB CCOC(=O)C1=C(CN2CCC[C@H]2c2nc3ccccc3s2)NC(=O)NC1 19534442 GLKLRUXLQJMDDH-HNNXBMFYSA-N 386.477 2.563 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)/C=C/c3cccc(Cl)c3)no2)cn1 96001741 IOXWUFPNWOHGJR-JFDDCEBESA-N 399.838 2.737 0 40 GFAB c1ccc(Cc2nnc3n2C[C@H](NCc2c[nH]nc2-c2cccnc2)CC3)cc1 96000247 XLWCWJKOUSGRPZ-LJQANCHMSA-N 385.475 2.759 0 40 GFAB CCOC(=O)c1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392421 SJOXSOZWMDLNIM-NSHDSACASA-N 385.507 2.567 0 40 GFAB O=C([C@@H](NCc1ccccc1CN1CCOCC1)c1ccccc1)N1CCCC1 14142225 BKRGMOVXAIPINR-QHCPKHFHSA-N 393.531 2.972 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(OC(F)(F)F)cc1 14202392 SUPXPWBTELBBCK-UHFFFAOYSA-N 382.294 2.682 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408527625 FCCFOWUAEPFMDY-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB COc1cccc(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[nH]2)c1OC 5682097 LARINEIHABWTII-OAHLLOKOSA-N 381.436 2.799 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)[C@@H]1C 5791554 RXYOYKPUJVQAKL-QXQQKJPISA-N 393.434 2.673 0 40 GFAB O=C1CCC(=O)N1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5871197 PNRTVAKQAWFHLY-OAHLLOKOSA-N 385.807 2.760 0 40 GFAB C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccco1 7154258 RFNCPDJUHVVILU-GFCCVEGCSA-N 395.444 2.671 0 40 GFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 7278601 KDOGSPTXGALMSY-ZJBJCVSYSA-N 381.476 2.561 0 40 GFAB C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccc2c(c1)CCCC2 9586806 WLTMYHFAVSFOSB-OAHLLOKOSA-N 376.460 2.938 0 40 GFAB Cc1cc(=O)c(C(=O)NCc2ccccc2CN(C)C)nn1-c1ccccc1F 7941733 QPKLWHMKVDJNKQ-UHFFFAOYSA-N 394.450 2.672 0 40 GFAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC(C(N)=O)CC3)c2n1 7987392 WXKUOUFSJVLGBU-UHFFFAOYSA-N 396.274 2.953 0 40 GFAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(-c2ccccc2)cc1 16629517 IBQSHQZEWFWWHJ-NRFANRHFSA-N 393.487 2.615 0 40 GFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O 8186049 HQHDHMPGKNYVAX-HXUWFJFHSA-N 395.371 2.673 0 40 GFAB NC(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8310361 OMSLRPKICFWFGS-SFHVURJKSA-N 395.459 2.722 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1ccc(C)cn1)C(F)(F)F 17241619 RAVPYNJBWLSZOT-KRWDZBQOSA-N 397.353 2.672 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2cccc3nsnc23)cc1OC 19077643 CRARODLJAYJLQK-UHFFFAOYSA-N 379.463 2.529 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1C 8885521 YOKPNDNDOMBCIS-UHFFFAOYSA-N 389.452 2.636 0 40 GFAB COc1ccc([C@H](O)CNC(=O)CCSc2ccc3c(c2)OCCO3)cc1 95417329 ZJSFJWLKHPNIFF-QGZVFWFLSA-N 389.473 2.798 0 40 GFAB CCN(CC)C(=O)CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 95958591 KZJKTTVODPDKOJ-INIZCTEOSA-N 395.500 2.704 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1C 408600407 ATXOESWFNROONC-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB O=C(OCc1nc2ccccc2o1)c1ccc(=O)n(CCOc2ccccc2)n1 25315800 HIGZRSQCRLOINH-UHFFFAOYSA-N 391.383 2.821 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CO)CO)cc1 218503335 JRQMMWISXPPMGY-QZTJIDSGSA-N 380.893 2.813 0 40 GFAB CCc1cc2oc(=O)cc(COC(=O)[C@H]3CCCN(C(N)=O)C3)c2cc1Cl 32776530 QMGZCVGYPXREBE-LBPRGKRZSA-N 392.839 2.843 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 219428592 ZMPJHSZKXOFHHA-UHFFFAOYSA-N 378.837 2.903 0 40 GFAB COc1ccc(OC)c([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)c1 36701585 GVYXQJVKXAKNHC-BKTGTZMESA-N 393.447 2.954 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 44880010 CZTRBBCZDQLAKE-UHFFFAOYSA-N 397.836 2.855 0 40 GFAB O=C(CCNC(=O)c1cc(F)ccc1Br)NOCc1ccccc1 48354239 KPRFUSZONJNNQD-UHFFFAOYSA-N 395.228 2.956 0 40 GFAB O=C(/C=C/c1cc(Br)ccc1F)N1CCN(C[C@@H]2CCCO2)CC1 49586904 ORCRMGOCSUAHPM-GIZXNFQBSA-N 397.288 2.925 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)C)CC2)cc1C 226047474 VSODEXDZPKLZGE-UHFFFAOYSA-N 382.526 2.567 0 40 GFAB Cc1ccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1S(N)(=O)=O 45035673 KYWAQBVVIKOLRZ-UHFFFAOYSA-N 378.498 2.970 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 44850359 PTQIWVBVLBKLMD-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1cccc(-n2cnnn2)c1 96345195 UCEMSOPFHDFMPH-UHFFFAOYSA-N 375.436 2.681 0 40 GFAB CCN(Cc1ccccc1)C(=O)c1nc2c(s1)CCCN2S(C)(=O)=O 96146867 GCOFGAQHUDILSS-UHFFFAOYSA-N 379.507 2.518 0 40 GFAB Cc1cc(C)c(C(=O)NC2CCN(c3ncnc4c3ncn4C3CC3)CC2)o1 527565898 UPCYCNBMMIQOCZ-UHFFFAOYSA-N 380.452 2.770 0 40 GFAB Cc1ncc(C(F)(F)F)cc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 635453716 TYQHLRUKIOVNOB-UHFFFAOYSA-N 395.385 2.916 0 40 GFAB CSC1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 601695160 OPEPHQDJJSGACU-MRXNPFEDSA-N 376.522 2.658 0 40 GFAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@@]34CCC[C@@H]3C4)CC2)cc1 585098130 LZVJTIAHFBVMBC-FOIQADDNSA-N 391.537 2.691 0 40 GFAB CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ccc(N(C)Cc3ccccc3)cc2)CC1 56205376 WXXIEHPDQGKZFJ-GOSISDBHSA-N 394.519 2.814 0 40 GFAB CCn1cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c(C2CC2)n1 631556926 FLUSWZGMYCBRKX-UHFFFAOYSA-N 397.523 2.659 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)C1 12365738 OJQQEOSMJARWOM-BRWVUGGUSA-N 379.526 2.764 0 40 GFAB CCc1nn(CC(=O)N[C@@H](C)c2ccncc2)c(=O)c2cc3ccsc3n12 12117611 ZRYBKHRDGVKBSS-LBPRGKRZSA-N 381.461 2.546 0 40 GFAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]42)cc1 14945259 HCESIQRAMXQCCX-XBIRKDKFSA-N 388.423 2.870 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19293702 ZMWGEMBQARPFMX-VNQPRFMTSA-N 393.413 2.889 0 40 GFAB CN(Cc1nc(N(C)C)ncc1-c1ccncc1)C(=O)c1ccc2c(c1)OCO2 19585366 MJZJFYJHUIUQRH-UHFFFAOYSA-N 391.431 2.606 0 40 GFAB Cc1nc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 19763209 UIHKILQLQVEVHI-GOSISDBHSA-N 382.512 2.524 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCC2 4949683 TYSGZDDATIZBOC-UHFFFAOYSA-N 392.502 2.510 0 40 GFAB COc1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)cc1OC 6786796 RLRQHUXBGZZERA-UHFFFAOYSA-N 380.444 2.750 0 40 GFAB Cc1nc(C)c(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)o1 2037985019 VEARZVOKEIPFRP-OAQYLSRUSA-N 383.448 2.720 0 40 GFAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1ccccc1F 2370424 LEYIJBUJBKDRCA-KRWDZBQOSA-N 395.312 2.771 0 40 GFAB O=C(C[C@H](NCCc1ccccc1)C(=O)O)Nc1ccc(OC(F)F)cc1 5258786 KMFYYFSDTIGFCO-INIZCTEOSA-N 378.375 2.902 0 40 GFAB Cc1nc(CN2CCC(C(=O)NCc3ccco3)(n3ccnc3)CC2)cs1 2055713492 WDAITOBSOIGJQB-UHFFFAOYSA-N 385.493 2.549 0 40 GFAB Cc1cccc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)c1 2055713292 VUJMCTGUVCVZGL-UHFFFAOYSA-N 380.414 2.861 0 40 GFAB COC(=O)c1ccc(NC(=O)CN2CC(c3nc(-c4ccsc4)no3)C2)cc1 77099604 PWEGUEIIWVOYHG-UHFFFAOYSA-N 398.444 2.623 0 40 GFAB CC(C)[C@H](CO)NC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1 36576628 XHWFROPJFFLQLR-IBGZPJMESA-N 381.428 2.972 0 40 GFAB biogenic C[C@H](NC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1 40071937 FDIOUMSYIGNBFV-AWEZNQCLSA-N 377.448 2.688 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32492715 NABQBSZQFDVIPC-SJLPKXTDSA-N 398.434 2.634 0 40 GFAB C[C@H](CNC(=O)CNC(=O)c1ccco1)c1nc2ccccc2n1C(F)F 32863758 IWWGSEMSWRVVSW-LLVKDONJSA-N 376.363 2.674 0 40 GFAB COCCn1c(SCC(=O)Nc2cc(C)no2)nnc1-c1cccc(C)c1 22240404 NRYHGYQYZYPBQS-UHFFFAOYSA-N 387.465 2.927 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)c2ccccc2F)c(C)c1 8987424 GDHDGDKMHSKEHU-UHFFFAOYSA-N 385.439 2.578 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 61049762 VJAKJFFLNZNFKV-DOTOQJQBSA-N 397.441 2.654 0 40 GFAB CN(Cc1nc(-c2cccnc2)no1)C(=O)Nc1cccc(-c2nnco2)c1 79093507 BXWFFKLIYYBKRO-UHFFFAOYSA-N 377.364 2.846 0 40 GFAB O=C(O)c1ccccc1Nc1nc2nonc2nc1Nc1ccccc1C(=O)O 3154366 RLEJKISOGXUPSH-UHFFFAOYSA-N 392.331 2.896 0 40 GFAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)N1CCCCC1 4859130 BGZJDOWUFQXSQU-UHFFFAOYSA-N 386.521 2.763 0 40 GFAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccc(C)cc1 4860933 WBKOYXJLVVLETF-UHFFFAOYSA-N 394.427 2.854 0 40 GFAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)C3CC3)c3nnnn3c2c1C 4879715 UZKYAYNWFWGYIW-GOSISDBHSA-N 379.464 2.812 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7059877 ORWXPTLVWCCDKM-UHFFFAOYSA-N 389.399 2.821 0 40 GFAB Cc1ccccc1OCC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 7154695 ALNKAHFGHMRHJE-OAHLLOKOSA-N 382.416 2.681 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C 104873018 ZZFGPSUZTGCBPF-LSTDLKDCSA-N 386.492 2.517 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccnc(-n3ccnc3)c2)c1 54628995 LTAYDHWXYBEGBW-KDOFPFPSSA-N 375.432 2.792 0 40 GFAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 101726390 WIBIYJFLYMYZOR-IYBDPMFKSA-N 378.517 2.984 0 40 GFAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCO2 24067376 TWHOZFAZSTXUKW-CQSZACIVSA-N 379.416 2.818 0 40 GFAB Cn1cc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 24177267 NZQYSSMBSOMNMR-UHFFFAOYSA-N 389.839 2.898 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1C 8336411 VDPSXPPLZCHBFH-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)cc1 1363322 YNDVDHYRSWTHHK-CQSZACIVSA-N 392.452 2.874 0 40 GFAB COc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2O)cc(OC)c1OC 25057976 MVMGUXFTRZKJAN-UHFFFAOYSA-N 386.326 2.762 0 40 GFAB O=C1N=C(O)[C@]2(Cc3cccc(F)c3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 25185161 TVBCTALBKNVSJY-IIBYNOLFSA-N 395.390 2.697 0 40 GFAB Cc1cccc2nc(CNC(=O)[C@H]3CCCCN3C(=O)c3ccco3)n(C)c12 84230011 STZDTCQNOPUGRV-MRXNPFEDSA-N 380.448 2.786 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cnc12 12538537 DEMQOKRADUMTLL-AWEZNQCLSA-N 375.432 2.849 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1 48019805 PWZXYAVFYOWMJB-UHFFFAOYSA-N 398.463 2.807 0 40 GFAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 113968404 ZJPUISNKZSUMLE-QGZVFWFLSA-N 394.468 2.695 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1OC 12604567 QQMLOEAUKKVRLX-UHFFFAOYSA-N 376.434 2.853 0 40 GFAB O=C(c1ccc(Sc2ccccn2)cc1)N1CCN(c2ncccn2)CC1 58223305 JHALNVPLFJFLBT-UHFFFAOYSA-N 377.473 2.985 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)N(Cc1ccco1)Cc1cccs1 27794504 LBPAHIHLDSNECQ-UHFFFAOYSA-N 395.444 2.925 0 40 GFAB C[C@@H]1CN(C(C)(C)CNC(=O)c2nc(Br)cs2)C[C@@H](C)O1 97165721 KTKIHQCLPNADIU-NXEZZACHSA-N 376.320 2.523 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2OC)cc1 3333976 GFJHDFNAKYUZIC-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cccc(OC)c2OC)c(OC)c1 3397333 DLICRNQNFKNPKI-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc21 21756741 MSDDYPRPFKGRFQ-UHFFFAOYSA-N 396.415 2.691 0 40 GFAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)NC(=O)NC1CC1)OCCO3 11285735 NFVXVMIGNZIFJA-AWEZNQCLSA-N 399.491 2.634 0 40 GFAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 45951831 CBIYJPFMUXVCND-ZDUSSCGKSA-N 388.773 2.785 0 40 GFAB COc1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1F 29932890 WIGQLYQGJNXSEJ-INIZCTEOSA-N 378.469 2.628 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCc1nnc2ccccn12 12864702 XCXOWVPOACGCAR-UHFFFAOYSA-N 378.411 2.643 0 40 GFAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O[C@@H](C)C(N)=O)c1 3454788 KZQRTWUBHTVTOA-LBPRGKRZSA-N 383.379 2.718 0 40 GFAB COc1ccccc1CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 29157368 OGSZSWSCLIGTSP-UHFFFAOYSA-N 381.520 2.562 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)Cc2csc(-c3ccccn3)n2)c1 12973707 MVYXGQRCZVOLFD-UHFFFAOYSA-N 377.433 2.577 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OC(C)=O)cc1 3636531 KKQSXKDHUBNQJB-ZBEGNZNMSA-N 388.445 2.824 0 40 GFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)c(OC)c1 4084964 GSBRARSZMPHDSA-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB biogenic CC(C)OC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4177290 FMJOKPRBXJEFND-IIMDRIAPSA-N 376.449 2.630 0 40 GFAB COc1ccc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5180354 JXAFHDIWMOCHPE-QGZVFWFLSA-N 377.437 2.664 0 40 GFAB O=C(CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1)NC1CCCCC1 13957187 MHYIDFJLWLQMSQ-UHFFFAOYSA-N 391.468 2.746 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)C1 14014162 BCAQIMHSVSDKHQ-LKBUQDJMSA-N 383.448 2.704 0 40 GFAB C[C@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C[C@@H](C)O1 14112186 ZPHPOKGNVBUUHY-IYBDPMFKSA-N 377.444 2.694 0 40 GFAB CCN(Cc1ccncc1)C(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4676715 UXPJEEPHQZOWJC-HXUWFJFHSA-N 393.418 2.855 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2C2CC2)n1 9378925 QCPXTFSOPQJXNH-UHFFFAOYSA-N 384.469 2.733 0 40 GFAB COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1C2 4761208 WDMWEJQAUXYPNE-KRWDZBQOSA-N 396.468 2.965 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)cc2NC1=O 14809699 URPDEWBVHRASDI-VIFPVBQESA-N 381.310 2.994 0 40 GFAB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2c(=O)[nH]1 6976269 JCCQTKBXBFWCSC-STQMWFEESA-N 395.390 2.720 0 40 GFAB O=C(CSc1nnc(Cc2ccccc2)o1)NC(=O)NCc1ccccc1 4934433 NJKXQZKWCFTCSP-UHFFFAOYSA-N 382.445 2.779 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7085094 XGQXXBHALJTOHK-WLRWDXFRSA-N 386.477 2.536 0 40 GFAB CSCCC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 7782007 DWNGNALRHBYBTC-UHFFFAOYSA-N 398.594 2.815 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnnn1C[C@H]1CCCO1 16412324 HPBYOESAKLYZRU-DGCLKSJQSA-N 381.889 2.933 0 40 GFAB C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(F)c(F)c1 18016554 RRLLURYHOUNOMI-MRVPVSSYSA-N 387.180 2.928 0 40 GFAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1Cn1ccnn1 95469257 VOGWUXQBQWRKGU-HNNXBMFYSA-N 388.415 2.681 0 40 GFAB O=C(Nc1ccc(C(=O)OCc2nnnn2-c2ccccc2)s1)c1ccco1 23576557 BVMIQIRNQJSAPX-UHFFFAOYSA-N 395.400 2.926 0 40 GFAB CC(C)CC(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 306124961 CDHZVBLVNVHEIK-UHFFFAOYSA-N 385.487 2.893 0 40 GFAB COc1ccc(CN(Cc2ncccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 528337742 FAVUBMPEGYUFHA-OAHLLOKOSA-N 380.897 2.933 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@H]1C2 306134746 NXBRFGVAZMRDIU-IAGOWNOFSA-N 391.450 2.974 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218607735 DGOJOBKVXMEEOL-SOLBZPMBSA-N 397.855 2.679 0 40 GFAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(-c2ccco2)on1 38679604 DHBVGTLXMALFQG-JQWIXIFHSA-N 375.406 2.671 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1Cc2ccccc2O1 39994049 CGYCPZZUIBPCRJ-LJQANCHMSA-N 398.440 2.700 0 40 GFAB COCc1nnc(NC(=O)c2sc(N(CC(C)C)C(C)=O)nc2C)s1 40266421 XVYAVNDEOKPUCK-UHFFFAOYSA-N 383.499 2.711 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(F)cc1 222982391 GQQWDMTVYCFOPW-AWEZNQCLSA-N 376.403 2.897 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 222978147 AOHVMKMSZDBMLK-HNNXBMFYSA-N 398.459 2.867 0 40 GFAB COc1ccc(CC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1OC 222938740 ORVKBKQIFYNDFK-UHFFFAOYSA-N 389.448 2.931 0 40 GFAB COC(=O)c1ccccc1NC(=S)N1CCN(C2Cc3ccccc3C2)CC1 225212489 ZCCVZKIFMMYIAK-UHFFFAOYSA-N 395.528 2.955 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 223408239 PXTLFCFLCLVORS-FQEVSTJZSA-N 384.476 2.800 0 40 GFAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(Br)cn3)ccc2N1 96136944 JMWRJKLQZYCDQZ-UHFFFAOYSA-N 382.239 2.530 0 40 GFAB COC(=O)C[C@H](c1cccnc1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96231170 XCYGPRMKZFMCJN-MRXNPFEDSA-N 379.416 2.731 0 40 GFAB COc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]c2=O)cc1 98211051 CJFISBCHZBBFED-UHFFFAOYSA-N 388.468 2.743 0 40 GFAB CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(C(=O)O)cc2)COC1 96112763 JNKQIMAFKUPSGX-KRWDZBQOSA-N 394.431 2.554 0 40 GFAB biogenic,in-vitro Cc1cccc(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C 585094300 GRNUDYXQBHDIGF-HNNXBMFYSA-N 386.945 2.912 0 40 GFAB C[C@@]1(CNc2ncnc3ccc(S(C)(=O)=O)cc23)COc2ccccc2O1 528079871 QEJRARRGZMXDTK-LJQANCHMSA-N 385.445 2.675 0 40 GFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccccc2F)CC1 257336654 YPJTUBXVUAIXCQ-XLIONFOSSA-N 375.488 2.680 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N[C@@H](C)c2cc(O)nc(N3CCC(C)CC3)n2)CC1 257296247 RBWYSOTVHKCAMH-JYJNAYRXSA-N 376.501 2.801 0 40 GFAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccnn2C)cc1 257224243 FAXWXGQFYWYNNC-RTWAWAEBSA-N 382.508 2.974 0 40 GFAB O=C(NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ncc2ccccc2c1O 613086612 CRQZJMVZHPKRGV-LBPRGKRZSA-N 391.353 2.902 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1 96099424 MQMPWXWJJMVJFC-UHFFFAOYSA-N 393.530 2.763 0 40 GFAB COc1cccc2cc(C(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)oc12 96104262 RTIROLNYRWRFEN-UHFFFAOYSA-N 389.404 2.879 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)n1 390828675 SUSJWKVMXBREIC-SFHVURJKSA-N 387.505 2.814 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)NCCc3cccs3)C2)c1 575404489 NFSJKMHGQCMBHU-IBGZPJMESA-N 394.500 2.809 0 40 GFAB CCOC(=O)c1[nH]c2cccc(I)c2c(=O)c1Cl 685937075 IRRKNPGMKIDGJC-UHFFFAOYSA-N 377.565 2.963 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 1615118460 CPQWMSGOPMKGET-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB CN1CCN(c2cc(CNCc3cc4ccc(F)cc4nc3O)ccn2)CC1 1648818491 BIQLOHVYPMPHFA-UHFFFAOYSA-N 381.455 2.516 0 40 GFAB COc1ccc2c(c1OC)C1=NCCc3cc4c(cc3[C@@]1(OC)C2=O)OCO4 5518858 JKTOCUUUQGHZPI-NRFANRHFSA-N 381.384 2.516 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)N1CCCc2ccccc21 12146218 KMIQVQKTJSBYSR-FQEVSTJZSA-N 389.455 2.617 0 40 GFAB O=c1[nH]c2c(cc1CNCCO)c(-c1cccc(F)c1)nn2-c1ccccc1 12146450 OTYBJVVRTPYYCD-UHFFFAOYSA-N 378.407 2.602 0 40 GFAB O=C(c1cccnc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 12157000 UNDLYTKWGGMFSK-KRWDZBQOSA-N 395.434 2.695 0 40 GFAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 12223143 HIYQVRLDGRZHNL-UHFFFAOYSA-N 385.489 2.870 0 40 GFAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)N3CCC(O)(c4cccc(C)c4)CC3)N2C=C1 12290263 PTXWMUVKXPSEKH-QFIPXVFZSA-N 393.487 2.668 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 12365160 KWPAFDAVXBBACX-KBPBESRZSA-N 383.427 2.676 0 40 GFAB COc1ccc(CC(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1OC 12406985 WALJBZASWJIHIP-SJKOYZFVSA-N 386.370 2.886 0 40 GFAB COc1cc(C(=O)Nc2cc(C)ccc2C)c(N(C)S(C)(=O)=O)cc1OC 13582562 HBCNNHIENBTUDL-UHFFFAOYSA-N 392.477 2.969 0 40 GFAB Cc1nn(CCCNS(=O)(=O)c2ccc(F)cc2)c(C)c1Br 14247413 ZPDHKTNCMWEMRI-UHFFFAOYSA-N 390.278 2.770 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 14795999 LWVGLAKVNVYDDI-HNNXBMFYSA-N 386.448 2.868 0 40 GFAB Cc1ncsc1-c1cc(CN2CCC(NC(=O)c3ccccn3)CC2)n(C)n1 19562505 HTXHMEQBTPMUEJ-UHFFFAOYSA-N 396.520 2.641 0 40 GFAB Cn1nc(C(=O)N2[C@H](c3ccccc3)C[C@]3(C)NCCCCC[C@H]23)ccc1=O 19713550 NRCQKWWSGSWBEU-IPJJNNNSSA-N 380.492 2.658 0 40 GFAB CCn1cnc2sc(C(=O)NC(C)(C)CN3CCCCC3)c(C)c2c1=O 19717360 UZYCNMZPXDEVFT-UHFFFAOYSA-N 376.526 2.781 0 40 GFAB C[C@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1)c1ccccn1 19749300 WIISMFXSXUFGBM-AWEZNQCLSA-N 394.406 2.512 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccccc1 19946077 RPRLGJAVTOJPTH-UHFFFAOYSA-N 383.267 2.854 0 40 GFAB COCC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)N(C)C)C1 19579984 QNKUZGYSBMBUPX-HSZRJFAPSA-N 398.478 2.989 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)C1 19592611 OOCFCZPUMHNSHJ-DGXTUMSLSA-N 397.470 2.712 0 40 GFAB Cc1nccc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)n1 19583205 JWJUETACBCYLFV-UHFFFAOYSA-N 376.420 2.660 0 40 GFAB COc1nn(C)cc1NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 570407115 HQYFLDCBQUFACA-UHFFFAOYSA-N 383.496 2.949 0 40 GFAB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc2c(c1)OCO2 2726573 MGZFEUOQHSRHDR-UHFFFAOYSA-N 384.417 2.735 0 40 GFAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(N2CCOCC2)nc1 11113299 KJJLXWZHWQLXDL-UHFFFAOYSA-N 390.487 2.942 0 40 GFAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 6259745 PCRMRMWATGKIPO-UHFFFAOYSA-N 382.344 2.921 0 40 GFAB C[C@H](Oc1cnc2ccccc2n1)C(=O)N1CCN(Cc2ccccc2)CC1 23408344 XZZIIDPOIYTDOZ-KRWDZBQOSA-N 376.460 2.742 0 40 GFAB CC(C)c1ccc(C[C@]2(C)Cc3cc(C(=O)NC(CO)CO)ccc3O2)cc1 2037872556 BIIRYDDPKAOXAJ-HSZRJFAPSA-N 383.488 2.829 0 40 GFAB Cc1nc(CN2CC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCC3(F)F)cs1 1565555700 OFRWZJAUFLUBEW-PBHICJAKSA-N 385.480 2.548 0 40 GFAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)c1ccc(Cl)cc1 4139793 ZUAMMHYNGMEMGE-UHFFFAOYSA-N 379.807 2.573 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cc1 4916440 QKLLYPFJLAFKHC-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB O=C(NCc1nc(-c2cccnc2O)no1)c1cc(Br)cs1 575616350 KDJVUDNBMDJXSZ-UHFFFAOYSA-N 381.211 2.591 0 40 GFAB CC(C)CS(=O)(=O)N1CCc2nc3ncc(Br)cc3cc2C1 2298063135 YKQDKMILVQBLDZ-UHFFFAOYSA-N 384.299 2.736 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)N2CCC[C@H](C)C2)cc1OC(F)F 40086269 UKPMXJHGFSETTL-LBPRGKRZSA-N 378.441 2.705 0 40 GFAB Cc1ccccc1NC(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 40070222 LPCQTJRBLUQMFQ-UHFFFAOYSA-N 377.447 2.660 0 40 GFAB Cc1cc(C)n2nc(CC(=O)Nc3c(C)nn(-c4ccccc4)c3C)nc2n1 40132089 LNYPVWDCNLSNSR-UHFFFAOYSA-N 375.436 2.725 0 40 GFAB Cc1ccccc1N(CC(=O)N1CCc2sccc2[C@@H]1C)S(C)(=O)=O 30548337 OBBAORXTVMPXJU-AWEZNQCLSA-N 378.519 2.968 0 40 GFAB CC(=O)NCc1ccc(C(=O)COC(=O)c2cc(F)c(F)c(F)c2F)s1 51386768 WQPSKOZHXLDRST-UHFFFAOYSA-N 389.326 2.980 0 40 GFAB COc1cccc(NC(=O)CCNC(=O)c2nc(SC)ncc2Cl)c1 41156276 VAIZWPSVIOXFQM-UHFFFAOYSA-N 380.857 2.619 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]23)cc1OC 102896769 UGZPMZDMNOZRFU-HKUYNNGSSA-N 380.400 2.613 0 40 GFAB COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)c1 652572 YRDKUYDJOCVKHV-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 3235514 AUPDTCOSZYFJDX-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 4165810 VKKGZRMBIJOEIO-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB COc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 4511287 OPROBHXOOLYWGG-MRXNPFEDSA-N 377.444 2.888 0 40 GFAB biogenic COc1ccc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c(OC)c1 4852592 RSJMIXLGIUWBON-UHFFFAOYSA-N 381.436 2.795 0 40 GFAB CCSc1nnc(NC(=O)c2nnn(-c3ccc(OC)cc3)c2C)s1 4938630 IBNIGEXPBPNMMK-UHFFFAOYSA-N 376.467 2.800 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)Nc3cc(OC)ccc3OC)CC2=O)c1 5189880 SXYGYYMAEPOBHZ-CYBMUJFWSA-N 385.420 2.639 0 40 GFAB COc1ccc(OC)c(N/C(C)=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1 5624706 GUPUSXRZUMIWNH-AQTBWJFISA-N 395.415 2.668 0 40 GFAB COC[C@H](C)n1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O 5977704 UROBZORXQIXMOE-HNNXBMFYSA-N 389.521 2.955 0 40 GFAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)C2CC2)cc1 6058200 DBZHYMCLDHNMFS-UHFFFAOYSA-N 396.443 2.559 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1C 6150467 FVPRXOFAMXAHBN-LJQANCHMSA-N 394.471 2.876 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 6800474 WGSWLKWPIOLHRV-UHFFFAOYSA-N 396.447 2.858 0 40 GFAB COc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(OC)cc1Cl 6936650 XANBAUKQZHEGNG-NSHDSACASA-N 378.812 2.937 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)Nc1cccc(N2CCCC2=O)c1 6988448 DNOMCKQZAUMTJP-UHFFFAOYSA-N 379.416 2.568 0 40 GFAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccncc4)n3C)cc21 7329648 LYHWJZLOQDMNIT-LLVKDONJSA-N 379.445 2.908 0 40 GFAB CSc1ccccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1C 7962383 NJZGPAAWZBIAMC-UHFFFAOYSA-N 399.516 2.934 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 8128640 BTVPQVYNSBBGOU-NSHDSACASA-N 395.253 2.966 0 40 GFAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 8270934 HSJLDLJQCZJUGK-HNNXBMFYSA-N 397.399 2.937 0 40 GFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@@H]1COc2ccccc2O1 8391696 HZSMGXXYZQRYMD-LLVKDONJSA-N 390.852 2.660 0 40 GFAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)NCCCCCC(=O)O)C(=O)[C@H]2C1 8472702 QEXZSFXQVXFYDA-WBVHZDCISA-N 398.459 2.907 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1 8755576 CYPCWZPHQZLVDS-UHFFFAOYSA-N 382.482 2.992 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 8877522 BGUKJTTZTWXSBK-ROUUACIJSA-N 392.908 2.970 0 40 GFAB Cc1nc(Nc2nc(CSc3ncccn3)cc(=O)[nH]2)nc2ccccc12 9939082 PQDPZPVJXXWYCB-UHFFFAOYSA-N 377.433 2.847 0 40 GFAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CC(C)C 10233386 ZXMKJDUEKLEWQE-UHFFFAOYSA-N 399.882 2.816 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 10449782 HOVGMUJFXGCTOH-HNNXBMFYSA-N 388.489 2.747 0 40 GFAB O=C(Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21)N1CCOCC1 11695957 ZEVVBMAVVPRQIS-UHFFFAOYSA-N 378.388 2.810 0 40 GFAB O=C(COc1ccccc1)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 11738403 HTXCOMYBWPTIKD-UHFFFAOYSA-N 381.407 2.635 0 40 GFAB COc1cc(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc(OC)c1OC 12114897 AVUMTWQIPRNTAL-FQEVSTJZSA-N 395.459 2.894 0 40 GFAB COCCN(C(=O)c1ccc(C)nc1)c1nc2c(s1)CCc1c-2cnn1C 12146098 ISAUTTIKDPHZPI-UHFFFAOYSA-N 383.477 2.639 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 12858737 SIIJOJOJVCVXCH-UHFFFAOYSA-N 398.488 2.740 0 40 GFAB COc1ccc(COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 12867257 ROUFORMCJOLHSX-LHSJRXKWSA-N 388.464 2.875 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc2c(c1)OCO2 14399865 LVQIZWCLAIDWEE-UHFFFAOYSA-N 390.461 2.827 0 40 GFAB CNS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 14415410 NZTBHHQRRZTZCI-UHFFFAOYSA-N 386.433 2.569 0 40 GFAB COc1ccc(OC)c([C@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 15509720 CHCPQDXNCVSGNE-UONOGXRCSA-N 383.448 2.728 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3Cl)cc2)C1=O 15842695 QBNWJRPNVSCCNY-GFCCVEGCSA-N 392.864 2.583 0 40 GFAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 16409430 NHMOJBCZVFZLSI-LBPRGKRZSA-N 387.387 2.602 0 40 GFAB COc1cccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)c1 16838579 FJIGUQFOPGCNID-UHFFFAOYSA-N 382.372 2.774 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(F)cc2)N2CCCN32)cc1C 19169776 UREZEQAUZAHWSP-AABGKKOBSA-N 379.435 2.978 0 40 GFAB O=C(CCN1Cc2ccccc2C1=O)N1CCCN(Cc2cccc(F)c2)CC1 19375565 KRVFBSTXZQLZRM-UHFFFAOYSA-N 395.478 2.906 0 40 GFAB CC[C@@H](CN1CCOCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 19500393 JTANDAJVNZXMKR-AWEZNQCLSA-N 392.500 2.795 0 40 GFAB O=C(CCn1cnnn1)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 19690483 VXUPDLNJSPFQLO-UHFFFAOYSA-N 394.454 2.594 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)NCC4CC4)cn3)C2)cn1 19705916 FKLBATSJXRCZNB-SFHVURJKSA-N 394.475 2.645 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 19708302 BUPRODOVPREGLX-UHFFFAOYSA-N 396.491 2.775 0 40 GFAB Cc1ccc(OCCN(C)C)c(NC(=O)c2sc3nc[nH]c(=O)c3c2C)c1 19717811 BZCNPZFPBNPTCP-UHFFFAOYSA-N 386.477 2.794 0 40 GFAB CCn1cc(-c2cc(NC[C@H](c3ccccc3OC)N(C)C)nc(N)n2)cn1 19718025 XFTKKZRASWUCCW-QGZVFWFLSA-N 381.484 2.666 0 40 GFAB Cc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)N(C)C)c2=O)cc1C 19745678 RRAHEJLBILGEBU-LJQANCHMSA-N 381.476 2.531 0 40 GFAB COc1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OC 20035384 HUKRHRZVNGLWHM-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB c1ccc(CN2CN(CCCN3CCOCC3)Cn3c2nc2ccccc23)cc1 20101230 CHLXZWFUMGPIAN-UHFFFAOYSA-N 391.519 2.996 0 40 GFAB C[C@H]1CCc2sc3nc(NCCCN4CCOCC4)n4ncnc4c3c2C1 20479429 SBLUFIBRJAXNAJ-ZDUSSCGKSA-N 386.525 2.598 0 40 GFAB Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c(O)c1 21490970 MMAHEWBNPUBEDM-UHFFFAOYSA-N 394.518 2.867 0 40 GFAB Cc1ccn2c(=O)cc(COC(=O)CCc3nc(-c4cccs4)no3)nc2c1 24203955 UOYVQHUZSIHIMT-UHFFFAOYSA-N 396.428 2.790 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 26053457 ZJZBVFIBQLLFFE-JXFKEZNVSA-N 376.522 2.933 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1OCC 26320115 FMNDOSAGARIJAF-CQSZACIVSA-N 393.461 2.602 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(-c2ccc(F)cc2)no1 28727511 LZIIQACBNJCBMI-GFCCVEGCSA-N 390.440 2.716 0 40 GFAB O=C(CSc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1)NC1CC1 31243804 KRZIUXNQJSNSHZ-HNNXBMFYSA-N 398.484 2.627 0 40 GFAB CCCc1cc(NC(=O)Cn2nnc3ccccc3c2=O)n(-c2ccccc2)n1 31712583 GJBNJVPXBXFRMY-UHFFFAOYSA-N 388.431 2.568 0 40 GFAB CC(=O)c1cccc(-n2nnnc2S[C@@H]2CCc3ccccc3NC2=O)c1 32071659 LTOGTMIPRXDOFC-QGZVFWFLSA-N 379.445 2.911 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)c1ccccc1 32674856 GJXNJSOTCHHMRP-HNAYVOBHSA-N 399.516 2.670 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)NC(=O)c1cccs1)O[C@H](C)C2 32869199 SQFYRAILDQLCOQ-CHWSQXEVSA-N 388.489 2.905 0 40 GFAB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 35380395 WZYOORBBJIMWMJ-UAFMIMERSA-N 392.430 2.969 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 48513560 URMOJCSIIOEDCG-OCCSQVGLSA-N 388.493 2.998 0 40 GFAB COc1ccc(NC(=O)c2nc(-c3cn(Cc4ccc(F)cc4)nn3)no2)cc1 49410324 ZUZAQEQEXOMKQY-UHFFFAOYSA-N 394.366 2.776 0 40 GFAB CCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 56137991 PTDUABGYXSKVSE-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C(Cl)(Cl)Cl)c1 57314165 IMCNSIPAROGRAI-UHFFFAOYSA-N 394.686 2.534 0 40 GFAB CCCCN(CC)C(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506839 LFTPPBUWXNJFEJ-UHFFFAOYSA-N 395.554 2.664 0 40 GFAB C[C@@H](c1ccccc1)n1cnnc1S[C@H](C)C(=O)NC(=O)NC(C)(C)C 58052862 WTYYLHSCJIJQEG-QWHCGFSZSA-N 375.498 2.992 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1nc(-c2ccc(F)cc2)no1 58146621 PBOHFUHLJGWGSL-SNVBAGLBSA-N 394.362 2.593 0 40 GFAB CCN(C(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 58159981 FVZDMJVUQOXYSL-XHSDSOJGSA-N 379.476 2.944 0 40 GFAB Cn1ccnc1[C@](O)(CC(=O)N1CCC(c2ccc(O)cc2)CC1)C(F)(F)F 58430063 FDEMZLWFWFOUOZ-GOSISDBHSA-N 397.397 2.672 0 40 GFAB Cc1noc2ncc(C(=O)N3CCCN(c4nc5ccccc5[nH]4)CC3)cc12 72280514 LFCDWSXVVBXJKT-UHFFFAOYSA-N 376.420 2.760 0 40 GFAB O=C(Nc1nccs1)[C@H](c1cc(Br)cs1)N1CCOCC1 72306911 ZFUMBAMKMZWHLF-NSHDSACASA-N 388.312 2.979 0 40 GFAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)NC1CCS(=O)(=O)CC1 72314298 DPIHWXXDJLDBLO-UHFFFAOYSA-N 379.413 2.712 0 40 GFAB O=C(CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1 72348719 JUUVNQJIKAWEMO-SFHVURJKSA-N 383.467 2.926 0 40 GFAB C[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 95456686 GGXGBLPNGBDFRD-INIZCTEOSA-N 392.434 2.723 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 95458411 ZQTIFFGHIGDMNJ-IRXDYDNUSA-N 399.499 2.749 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCCc2nc3ccccc3n2C)n[nH]1 95479857 SZXIRUBRFMTVAH-UHFFFAOYSA-N 375.432 2.945 0 40 GFAB Fc1ccc(-c2nnc3n2C[C@@H](NCc2ccc(-n4cncn4)cc2)CC3)cc1 96002657 NDZZGDXIWFMVTJ-SFHVURJKSA-N 389.438 2.770 0 40 GFAB COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)nc2ccccn2c1=O 96115576 NIILBBJNILQPEV-INIZCTEOSA-N 382.416 2.882 0 40 GFAB biogenic CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CCN(c1ccncn1)CC2 96260529 VSJVULFLIRPONV-UHFFFAOYSA-N 382.512 2.683 0 40 GFAB COc1ccc2c3c1O[C@@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 96316381 FNIFBBNFYMIPEZ-HDESWQQZSA-N 395.499 2.895 0 40 GFAB biogenic,in-vitro Cc1c(S(=O)(=O)N2[C@H](c3nc(-c4ccccc4)no3)[C@@H]3CC[C@@H]2C3)cnn1C 100219981 RPFYYMTYKPTRMQ-INMHGKMJSA-N 399.476 2.693 0 40 GFAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NC(=O)Nc3cccc(C)c3C)C2)n1 106179735 JLWVDYMCRHZCDF-GOSISDBHSA-N 398.511 2.572 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223257525 HKEPTSGCHUWLBP-UXHICEINSA-N 392.532 2.801 0 40 GFAB COc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 225539717 ZNMYQQGSACESLV-UHFFFAOYSA-N 390.505 2.599 0 40 GFAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225622432 WRNKPLLPRLZLMS-OAQYLSRUSA-N 392.496 2.848 0 40 GFAB Cc1nc(N2CCC(NC(=O)c3csc(C)n3)CC2)cc(C(F)(F)F)n1 225724962 SGSMTHQAGCHIJU-UHFFFAOYSA-N 385.415 2.968 0 40 GFAB C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)c2)C1=O 248141183 QEISVLGGPLUDCX-UZLBHIALSA-N 391.471 2.715 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCSCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596557 SRWOMQHWEUBBOO-PQOQACGUSA-N 386.517 2.907 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 257230744 GDSCTPWTTVNFPR-CQSZACIVSA-N 399.451 2.933 0 40 GFAB Fc1ccc(OCCc2cc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1F 257269489 MQFOQSRRRFKSKC-SFHVURJKSA-N 389.406 2.606 0 40 GFAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3ccc(N)nc3)CC2)nn1C 257334546 YGJRQBFMACRQJH-WKILWMFISA-N 384.528 2.505 0 40 GFAB COc1ccccc1-c1ccc2c([C@@H]3CN(C(=O)C4CC4)CCN3C)nnn2c1 306136973 QHZZBIDYGBLQPV-IBGZPJMESA-N 391.475 2.630 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408553280 PTCBNRNLXIBBDZ-UHFFFAOYSA-N 398.868 2.664 0 40 GFAB CCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 409137197 UNZAKCBVLWHDEW-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(N2CCOCC2)c1 533784904 MLMQTBXCEPWGGK-UHFFFAOYSA-N 381.354 2.747 0 40 GFAB O=C(O)C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 567603266 MBHDTVMDEXTYJN-VIFPVBQESA-N 383.800 2.817 0 40 GFAB CC(C)S(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 575402638 DMYUIOLIWYKOQY-QGZVFWFLSA-N 382.526 2.598 0 40 GFAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2cccc(C(C)(F)F)c2)C1 585123619 NFBFTGUWJBFRGI-LBPRGKRZSA-N 375.441 2.591 0 40 GFAB CC(C)Oc1ccc(NC(=O)NCc2ccc([S@](C)=O)cc2)cc1C(N)=O 619540301 DSPPISPFCZKLCC-MHZLTWQESA-N 389.477 2.632 0 40 GFAB O=C(NC[C@@H]1CCCC12CC2)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 626421333 SXWASKSKLCXLQV-GJZGRUSLSA-N 392.525 2.822 0 40 GFAB O=C(O)c1cc(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cs1 656763893 SQVCPDIDPUMPEH-HNNXBMFYSA-N 380.491 2.853 0 40 GFAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2[C@@H]2CCN(CC(=O)O)C2=O)c1 662212407 WRWOOBVVJPHHBF-TUNNFDKTSA-N 394.471 2.911 0 40 GFAB C[C@@H]1[C@@H](C)N(CC(=O)Nc2ccccc2)CCN1CC(=O)Nc1ccccc1 662226735 RUQPAPYYCCEJNB-QZTJIDSGSA-N 380.492 2.658 0 40 GFAB O=C1C[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646507 MOOQYBVANRCNGC-HOTGVXAUSA-N 390.455 2.828 0 40 GFAB COc1cccc(C(=O)N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)c1 1888876471 WMRYTHVMWIFKHO-IAGOWNOFSA-N 380.492 2.991 0 40 GFAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 793032 RGZMJROZOAISKW-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C)cc1OC 932330 OGKFGHVRXRIZMB-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB O=C(CN(Cc1ccccc1Cl)C(=O)c1csnn1)NC1CCCC1 1378435 USDVFCAUCFEOPJ-UHFFFAOYSA-N 378.885 2.893 0 40 GFAB C[C@@H]1CCCCN1C(=O)CSc1nnc2c3ccccc3n(CC(=O)O)c2n1 4898912 JHWZTNXWLGZNOH-GFCCVEGCSA-N 399.476 2.557 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 4949864 LQPQGKHBOVJKSY-JTQLQIEISA-N 388.445 2.523 0 40 GFAB CCn1c(SCCOc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 5071552 QALRBGPSRCXIFO-UHFFFAOYSA-N 377.491 2.875 0 40 GFAB CCOc1ccc2nc(COC(=O)c3ccccc3F)c(C(C)=O)[n+]([O-])c2c1 5478691 YSXHZHRRYLMWET-UHFFFAOYSA-N 384.363 2.966 0 40 GFAB Cc1ccc(C[S@](=O)c2nc3c(c(N4CCN(C)CC4)n2)CCCC3)cc1 5698802 YBOIYTIERMLBIR-HHHXNRCGSA-N 384.549 2.723 0 40 GFAB CCN(C(=O)CSc1cc(C)c2ccccc2n1)[C@H]1CCS(=O)(=O)C1 5862251 ARVGDSNXAZCJFC-AWEZNQCLSA-N 378.519 2.671 0 40 GFAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCC(F)(F)F)n1 5996231 LZOOTHGZRQPNPF-UHFFFAOYSA-N 380.779 2.904 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1OC 6078802 AKMFPDICZIQFAP-CQSZACIVSA-N 397.431 2.808 0 40 GFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccc(C)c2)c(=O)[nH]c1=O 6221653 DZYLRPDSCYHXID-UHFFFAOYSA-N 396.447 2.667 0 40 GFAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1 6348549 HILAPDQFMZFTPH-UHFFFAOYSA-N 386.520 2.724 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1c1cccc(I)c1 6496366 SKIPUWYOYIEBMG-UHFFFAOYSA-N 385.182 2.640 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@@H]24)O3)c1 6764429 PHKDZDGCQXIOBV-JYLXEMOASA-N 378.428 2.817 0 40 GFAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2N)c1 6999942 DJRFYEDLXAIRFN-UHFFFAOYSA-N 392.463 2.985 0 40 GFAB Cc1ccccc1OCC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 7154689 ALNKAHFGHMRHJE-HNNXBMFYSA-N 382.416 2.681 0 40 GFAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1C 7676088 NVWXPZAMJOIKQT-CYBMUJFWSA-N 397.431 2.589 0 40 GFAB COC(=O)COc1ccccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 8092095 SACCFJGSBDFXER-XNTDXEJSSA-N 386.791 2.989 0 40 GFAB CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 8165189 NNRILXYNYMXZBQ-AWEZNQCLSA-N 382.464 2.707 0 40 GFAB COCCn1c(SCC(=O)N(C)Cc2ccccc2)nnc1-c1ccncc1 8232249 VEURBHDEDDZAAQ-UHFFFAOYSA-N 397.504 2.737 0 40 GFAB COc1ccc(NC(=O)CSc2nc(O)c(CCC(C)C)c(=O)[nH]2)cc1 8964386 UIBMBOVROOWUSF-UHFFFAOYSA-N 377.466 2.804 0 40 GFAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(F)cc4)cn(C)c3c2=O)cc1 9820730 QQIOUZAXQONZMQ-UHFFFAOYSA-N 392.390 2.717 0 40 GFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nnc(-c3ccco3)o2)C1=O 9991064 FITPNFVNOIKTFK-HXUWFJFHSA-N 378.388 2.786 0 40 GFAB C[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11071418 WJAKSJFBGSGLSM-CVEARBPZSA-N 394.475 2.709 0 40 GFAB CCn1c2cc(C)oc2c2cnn([C@H](C)C(=O)NCc3ccccn3)c(=O)c21 12117740 IEFQIJSYCXCYGT-CYBMUJFWSA-N 379.420 2.545 0 40 GFAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(CC(=O)N3CCCCC3)C2)on1 12118464 UEGCMQNLXLEMCX-KRWDZBQOSA-N 383.496 2.940 0 40 GFAB Cc1ccc([C@H](C)C(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)cc1 12336932 TYUWEIXWRUWXQH-ZDUSSCGKSA-N 380.452 2.511 0 40 GFAB Cc1cc(C(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)c(=O)[nH]c1C 12337819 SGXOOELDADPURC-QGZVFWFLSA-N 395.463 2.724 0 40 GFAB CONC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 12630613 TVIHDLNBJSMYMR-UHFFFAOYSA-N 385.239 2.541 0 40 GFAB COc1ccc([C@H](CNC(=O)CCc2ccccc2)N2CCOCC2)cc1OC 12756454 FUZKLVOCPLPJNS-FQEVSTJZSA-N 398.503 2.826 0 40 GFAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCCc2ccccc21 12811232 HVMYMASHSQRBSK-DOTOQJQBSA-N 396.443 2.539 0 40 GFAB CCOc1cc2c(cc1NC(=O)Cn1c(=O)cnc3ccccc31)O[C@@H](C)C2 12996888 RAQMZKIUZKPUAO-ZDUSSCGKSA-N 379.416 2.757 0 40 GFAB CN(CC(=O)NCCc1cccc(Cl)c1)S(=O)(=O)/C=C/c1ccccc1 14171867 ZUCBFRKRRCDISX-ACCUITESSA-N 392.908 2.931 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)CCn3cnc4sccc4c3=O)ccc12 14348655 YIBSBLYPYAORBZ-UHFFFAOYSA-N 381.413 2.902 0 40 GFAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1=O 15843197 RUQFZAPVFQEWJK-UHFFFAOYSA-N 376.409 2.781 0 40 GFAB COc1cc2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)n(C)c2cc1OC 19289682 XKKZGJROJYNNEP-UHFFFAOYSA-N 395.415 2.803 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19499408 SJERYABBIIQIHU-VQTJNVASSA-N 396.491 2.652 0 40 GFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)C(C)C)CCO1 19529212 NIDIYBUCLKKRSN-HSZRJFAPSA-N 395.503 2.681 0 40 GFAB Cc1ccc2oc(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)cc2c1 19709273 UNSCLXHBTLAHJQ-MRXNPFEDSA-N 393.491 2.840 0 40 GFAB COCC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)CC1 19763937 LCAHNWVLEWTKQN-UHFFFAOYSA-N 386.427 2.529 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1 20455643 KHZLRBIFJRAAKX-UHFFFAOYSA-N 398.488 2.872 0 40 GFAB COc1ccc([C@H](CNC(=O)CN2CCOCC2)c2c[nH]c3ccccc23)cc1 23695973 UDVALQTWUQIHBQ-FQEVSTJZSA-N 393.487 2.757 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(Cc3nc(-c4cccs4)no3)c(=O)c12 25802351 PEFVTNIOKHMDDC-UHFFFAOYSA-N 386.389 2.634 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCN(Cc3csc(C)n3)CC2)c(OC)c1 32332810 YDQDPCOTGZSGIL-FNORWQNLSA-N 387.505 2.826 0 40 GFAB COC(=O)c1ccc(CNC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 32936978 QSIIFDLTCAAQIU-UHFFFAOYSA-N 391.468 2.672 0 40 GFAB Cc1nn(C(F)F)cc1S(=O)(=O)NCC[C@@H](C)n1nc(C)c(Cl)c1C 36615041 UMPUGABOWVLBBT-MRVPVSSYSA-N 395.863 2.983 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccccc3Cl)CC2)C[C@@H](C)O1 40090545 VFMDCMXHVBGQKW-GASCZTMLSA-N 378.900 2.757 0 40 GFAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)NCc1ccccc1 49809584 LWOVHROKZJQJDT-HNNXBMFYSA-N 386.835 2.553 0 40 GFAB O=C(CCNc1ncccn1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 52662353 NOYWEZGTMQEIEU-GOSISDBHSA-N 376.464 2.717 0 40 GFAB COc1cc2c(C(=O)N3CCN(C)CC3)c(C)n(C)c2cc1Br 55208362 NBJRVAKOVIFMNE-UHFFFAOYSA-N 380.286 2.645 0 40 GFAB COc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)c1OC 57471776 JFYPWFSJOSPBGC-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB CC[C@H](NC(=O)COc1cccc(C(N)=O)c1)c1nc(-c2ccccc2)c[nH]1 58245527 YKBCBOLKIZYADW-KRWDZBQOSA-N 378.432 2.822 0 40 GFAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cc(C)on4)c3)n2)c1 67289423 NIVUVKIEAQQKNM-UHFFFAOYSA-N 391.387 2.809 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCN(C(C)C)CC1 69531732 CRHCSPRHVWJTJW-KRWDZBQOSA-N 393.915 2.506 0 40 GFAB O=C(NCCCCN1CCC[C@H]1CO)c1ccccc1NCc1cccnc1 95448250 ZDLHWULRGDDJCX-IBGZPJMESA-N 382.508 2.660 0 40 GFAB COc1ccccc1-c1n[nH]/c(=N\C(=O)C2(c3ccccc3)CCOCC2)[nH]1 95473973 OIXBWJKCSIUOQI-UHFFFAOYSA-N 378.432 2.589 0 40 GFAB C[C@H](NCCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)OC(C)(C)C 95996238 MJDPOLMLHCBTDE-JKSUJKDBSA-N 377.533 2.925 0 40 GFAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(S(C)(=O)=O)CC3)cc21 96267163 NSSUXYCSJFAUQZ-UHFFFAOYSA-N 391.541 2.751 0 40 GFAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 101590485 QAGUXRWQZDNBFH-YHUYYLMFSA-N 392.242 2.905 0 40 GFAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 108454706 GHHZOBDWKXPDHQ-SFHVURJKSA-N 399.422 2.560 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)CCc2ccccc2)cc1 206708466 QFXUBDKFBXEGLQ-IBGZPJMESA-N 392.477 2.527 0 40 GFAB Cc1cccc(-c2noc(CNC(=O)c3cccc(CN4CCOCC4)c3)n2)c1 219248070 GWCPJCNGUWNAED-UHFFFAOYSA-N 392.459 2.807 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)s1 225080464 RQQZKWBQOBVGOP-UHFFFAOYSA-N 382.511 2.531 0 40 GFAB CCCc1ccc(S(=O)(=O)NCC2CCN(C3CCOCC3)CC2)cc1 225564364 KJMYIZCNILEAHM-UHFFFAOYSA-N 380.554 2.808 0 40 GFAB COc1cc(C(=O)O)cc(I)c1OCc1cccnc1 226321440 RKKUGHNRBPGWOA-UHFFFAOYSA-N 385.157 2.972 0 40 GFAB COc1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC 254750150 MQGGQDXERHMFSO-UHFFFAOYSA-N 383.404 2.522 0 40 GFAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1N1CCN(Cc2ccccc2)CC1 256047846 PBIULTZCGMDBMZ-UHFFFAOYSA-N 397.866 2.941 0 40 GFAB Cc1cnc(C(=O)N2CCO[C@@H](c3cccc(-c4c(C)noc4C)n3)C2)cn1 257258836 KVSVRDRMWGNJCO-GOSISDBHSA-N 379.420 2.666 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 260743732 QFHOTSJLICVFDB-HUUCEWRRSA-N 388.489 2.828 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1 260836352 OMQMNJAFFVPXGC-JXFKEZNVSA-N 386.473 2.546 0 40 GFAB CC(C)COc1ccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)cn1 390828240 AMZZXWYAAIAIKY-CYBMUJFWSA-N 397.401 2.763 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C)C1 408561272 RQDQKEOLTNNASK-LBPRGKRZSA-N 388.917 2.664 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 408650496 BBGWUKPNUDPAHQ-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CSCC[C@@H](C(=O)Nc1ccc(O)cc1)n1c(O)nc2ccccc2c1=O 524734069 SSWCUESAYHRFNH-INIZCTEOSA-N 385.445 2.741 0 40 GFAB CC(=O)N1CC[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)c2ccccc21 534572270 KIGLKZVYFISOCX-IFMALSPDSA-N 391.471 2.574 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)nn1-c1cccc(F)c1 574649541 SYFFZAZRHMFFMX-WBVHZDCISA-N 398.442 3.095 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611157 ASBRMGGBKODXGE-CQSZACIVSA-N 398.850 2.515 0 40 GFAB O=C(Cc1ccc2c(c1)CCCO2)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099134 OOHFMPJSZGKNTN-HXUWFJFHSA-N 381.476 2.588 0 40 GFAB COCCOc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OC 585262529 MBUOBDRCXHCINE-SFHVURJKSA-N 375.465 2.592 0 40 GFAB CC(=O)OC[C@@]1(CC(=O)N2CCCC2)CCCN1C(=O)/C=C/c1ccccc1 643587217 YNFXPTYHXXEYCJ-NEQMZLFVSA-N 384.476 2.637 0 40 GFAB C[C@H]1CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)CCc2ccc(Cl)cc21 653038992 UOLQMUUIZKENLN-ZDUSSCGKSA-N 397.862 2.944 0 40 GFAB CC(=O)NC[C@H]1CCCCN1C(=O)NCCc1ccc(N2CCCCC2)cc1 1682009086 MKJGPVTXIPTRPS-OAQYLSRUSA-N 386.540 2.920 0 40 GFAB O=S(=O)(NC1CN(c2cc(C(F)(F)F)ccn2)C1)c1ccccc1Cl 1888888386 MZJFPKBEVJVDCN-UHFFFAOYSA-N 391.802 2.921 0 40 GFAB Cc1ccc(OCC(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 2037977807 KXWSWALRADDMIC-QHCPKHFHSA-N 394.471 2.798 0 40 GFAB CCN1Cc2ccccc2NC2(CCN(C3CCN(C(C)=O)CC3)CC2)CC1=O 2037985884 ZPJPDSUNHVIFCL-UHFFFAOYSA-N 398.551 2.696 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 800544 WCVQCOSLGPCLON-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB COc1cc(C(=O)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1593392 JIDNYUKRPUJZAL-QGZVFWFLSA-N 392.404 2.655 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O)cc1 807877 ORNQRLYERZYSMG-SFHVURJKSA-N 377.404 2.920 0 40 GFAB O=C(OCCOc1cccc(Br)c1)c1n[nH]c(=O)c2ccccc12 23077176 PDHMPVAITLRFDK-UHFFFAOYSA-N 389.205 2.921 0 40 GFAB O=C(CSc1nncn1-n1cccc1)Nc1cccc(Br)c1 4518476 IFFNAUGLVVUYRO-UHFFFAOYSA-N 378.255 2.884 0 40 GFAB COCCCNC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 4967004 USXULQFZBJCRHV-UHFFFAOYSA-N 394.541 2.982 0 40 GFAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 6112002 FJQUIXXBNVUIEZ-NRFANRHFSA-N 382.416 2.662 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 6306003 NYKXKSLIPIUFDW-UHFFFAOYSA-N 390.505 2.801 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1cn2cc(Cl)ccc2n1 6934986 MKLRBNIFOCUGLT-UHFFFAOYSA-N 384.779 2.548 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 1006973 ONSSMENOOLOIFH-VBQJREDUSA-N 382.313 2.930 0 40 GFAB CCOc1ccccc1OCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 7911018 KZVVXGWIUOAKHH-UHFFFAOYSA-N 378.450 2.530 0 40 GFAB C/C(Nc1ccc(-c2c[nH]cn2)cc1)=C1/C(=O)NC(=S)N(CC(C)C)C1=O 104945714 RBRYHLAAAVYTNB-FOWTUZBSSA-N 383.477 2.662 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c(C)c1 8369124 OTQKMDKIULIXOW-UHFFFAOYSA-N 378.384 2.528 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)Cc1ccon1 95998567 VBPNFEOYZPWYSD-SFHVURJKSA-N 384.411 2.759 0 40 GFAB CCOc1c(Br)cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 1438304 UMQKCJJLIJMGOO-CYBMUJFWSA-N 399.241 2.657 0 40 GFAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN(C)[C@H](C)CSCC 72305350 AOHQUTGANSKEKC-MRXNPFEDSA-N 395.569 2.946 0 40 GFAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 3283088 BVUHDWRKVMCCLH-UHFFFAOYSA-N 382.489 2.942 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 56944241 HTKDCVVYXSXLAL-INIZCTEOSA-N 396.896 2.692 0 40 GFAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1cccc(N2CCCC2=O)c1)C3 12606031 ALAJMLGVVHBLED-UHFFFAOYSA-N 393.472 2.599 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)c2ccoc2)N2CCCCC2)cc1 48185839 MEZBYMFBZBHBGY-JXFKEZNVSA-N 399.491 2.750 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c2oc1=O 2146324 PINOXGKCXRLIHW-HNNXBMFYSA-N 375.421 2.713 0 40 GFAB biogenic CCOc1ccccc1COC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 12797951 CQCDDHQFQJQMKN-UHFFFAOYSA-N 392.477 2.565 0 40 GFAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1CSCC1=O)c1ccccc1 12785261 GVQQAMLJEREWFF-AWEZNQCLSA-N 383.473 2.649 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1Cl)C2=O 3370566 WZMZCCSBBHZCKX-UHFFFAOYSA-N 377.872 2.847 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2[C@H]4CCCC[C@H]24)C3)C1 100748100 NEWOKEPTECYZQZ-SZMVWBNQSA-N 382.508 2.523 0 40 GFAB CC[C@@](C)(NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)C(=O)OC 95393351 RREPXXMEIFCNCY-BFUOFWGJSA-N 375.494 2.971 0 40 GFAB O=C(Nc1ccc2cnn(C(=O)c3n[nH]cc3Cl)c2c1)c1n[nH]cc1Cl 36614538 CGALDXFEPMTXNW-UHFFFAOYSA-N 390.190 2.730 0 40 GFAB COCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10314460 BYOGWJIFZLXILO-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB CN1C(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C(=O)C12CCCCC2 36784964 DTDVWOLGDWGCCM-UHFFFAOYSA-N 395.362 2.544 0 40 GFAB C[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 113968377 OECARAIRQCYIQH-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)C1 2638608 YYSUYIADQSHFML-HUUCEWRRSA-N 376.478 2.876 0 40 GFAB COC(=O)c1cccc(Cn2cc(/C=C3/NC(=O)NC3=O)c3ccccc32)c1 408544098 UREZUBWXDFJGRY-LICLKQGHSA-N 375.384 2.657 0 40 GFAB COc1ccc(CCN(C)C(=O)COc2ncnc3sccc23)cc1OC 3410574 RAKWGWLQVLZOIA-UHFFFAOYSA-N 387.461 2.788 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)COC(=O)c1c[nH]c2ccccc12 19355277 HTUHYVXMWUDDBR-CQSZACIVSA-N 380.400 2.623 0 40 GFAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)cc1 12980119 XJSFMZVWCLWAQB-UWJYYQICSA-N 388.464 2.520 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1S(=O)(=O)NC1CC1 12974071 WDPKJYMTEGJGEC-AWEZNQCLSA-N 388.489 2.935 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NCc3cnn(-c4ccccc4)c3)CC2=O)c1 13015411 SEOYTBFIBYMXPC-KRWDZBQOSA-N 390.443 2.550 0 40 GFAB Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)s1 9156034 RAXIKEAYMMKPBC-UHFFFAOYSA-N 398.481 2.777 0 40 GFAB CC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 4184094 PKWBVJMEOIWQRL-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1C(F)(F)F)Nc1nccs1 5016263 YMOYMMWUINPEKX-UHFFFAOYSA-N 386.384 2.868 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C(C)C)c1 14084102 IJHRUTWSYTVLBZ-HXUWFJFHSA-N 396.491 2.620 0 40 GFAB O=C(Nc1nnc2ccccn12)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 65791237 MGPPNMMQINUMHM-JTQLQIEISA-N 375.841 2.688 0 40 GFAB O=C1CN(C(=O)COC(=O)Cc2c(F)cccc2Cl)c2ccccc2N1 6542025 CYALZKYVIJQPQJ-UHFFFAOYSA-N 376.771 2.550 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nnc(C)s2)oc(C)c1C(C)=O 5505550 VSMYXLJDHFRTLI-UHFFFAOYSA-N 383.451 2.858 0 40 GFAB COc1cc(C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N1CCOCC1 6649110 BLZNJNXCJWUNHI-UHFFFAOYSA-N 398.459 2.802 0 40 GFAB Cc1c(C)n(Cc2ccccc2)c2ncn(CCCN3CCOCC3)c(=N)c12 6758243 SLFCEJAXXSRTFU-UHFFFAOYSA-N 379.508 2.705 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1cccc(F)c1)C=C2 96223937 FJKGDZOKRXQJLX-UHFFFAOYSA-N 398.434 2.557 0 40 GFAB CCn1nc(C)c(-c2cc(C(=O)Nc3nc(C(=O)OC)c(C)s3)[nH]n2)c1C 95480265 XJQBYPOEWYMUJF-UHFFFAOYSA-N 388.453 2.714 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(N2CCCC2)n1 67256845 DKIINGXBNHYNKO-UHFFFAOYSA-N 390.871 2.590 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 67287078 DAYVHQQMQQFNFT-IBGZPJMESA-N 387.480 2.598 0 40 GFAB COc1cccc(NC(=O)CN(C)CC(=O)N(Cc2ccccc2F)C2CC2)c1 7458081 UKTCBMNFANECRG-UHFFFAOYSA-N 399.466 2.896 0 40 GFAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1N1CCOCC1 7872637 PDXWRXKCVUTYIB-LBPRGKRZSA-N 395.916 2.907 0 40 GFAB O=C(CNC(=O)COc1ccccc1)NCCc1ccc(C(F)(F)F)cc1 9500872 AWDCMRVWUDKPFS-UHFFFAOYSA-N 380.366 2.559 0 40 GFAB Cc1nc(C(C)C)sc1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 69324638 FPRZKKFAYIDLRI-UHFFFAOYSA-N 390.509 2.707 0 40 GFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)NC2CCCCC2)C1=O 8315485 LVNKVXRJHUVKSD-QKKBWIMNSA-N 387.480 2.690 0 40 GFAB CCOc1cc(-c2nn3c(=O)c(C)nnc3s2)cc(OCC)c1OCC 8394026 RVFSUYFNMAXMFH-UHFFFAOYSA-N 376.438 2.718 0 40 GFAB CCCn1nnnc1COC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 8562653 UUVZTWOZGYJUGG-UHFFFAOYSA-N 385.424 2.553 0 40 GFAB COCCn1c(SCC(=O)NC(=O)c2cccs2)nc2ccccc21 8725157 RUUJELDQLWKAAU-UHFFFAOYSA-N 375.475 2.793 0 40 GFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCCN(C(C)C)C(C)C 8878932 FGYBNBDZKJHVEM-SFHVURJKSA-N 383.483 2.954 0 40 GFAB CN(C)C(=O)N1CCC(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)CC1 72075831 WAZJLKUURMPHQQ-UHFFFAOYSA-N 375.860 2.858 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)n(C)n1 95998425 ZGTADGSRGXQIHI-LJQANCHMSA-N 379.464 2.745 0 40 GFAB O=C(NCCC(=O)N1CCOc2ccccc2C1)c1ccc2c(n1)CCCC2 89865476 OCXSAFODPVRXQV-UHFFFAOYSA-N 379.460 2.502 0 40 GFAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)[C@@H]1COc2ccccc2O1 35313254 VOCMHSNXYHCXNT-KSSFIOAISA-N 386.448 2.751 0 40 GFAB O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)N1CCN2CCC[C@@H]2C1 28235012 RHHAVWBNNZNRRC-OAHLLOKOSA-N 394.397 2.859 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306131052 JVIAUTCSXBNKOV-IRXDYDNUSA-N 391.450 2.974 0 40 GFAB Cc1ccc(C(=O)N2C[C@H](c3cn(C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 306127634 GDYGPPLAUMBINW-IERDGZPVSA-N 398.532 2.658 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 36080480 TYQOYHMCMTZUCH-CQSZACIVSA-N 398.484 2.981 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 62022837 DDECBWIFCOYJSS-KRWDZBQOSA-N 390.447 2.720 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 550131457 NNLSGNQTAPMYCR-UHFFFAOYSA-N 377.876 2.618 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 409378386 ORGPXEAHLYWQRK-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 72362735 DYNNBEKJQAOJJH-QGZVFWFLSA-N 382.464 2.728 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 36832413 JPYAPUCLVBSVBF-KRWDZBQOSA-N 379.460 2.814 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)n1 72372533 MFHYHVHQLOEGOR-KRWDZBQOSA-N 390.513 2.647 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccccc4)nn32)cc1 72333022 LUAIBMVVTNACLX-KRWDZBQOSA-N 390.399 2.859 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)s1 223134105 UMFLJFUXEAMKFO-UHFFFAOYSA-N 388.474 2.564 0 40 GFAB COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(C)c1 224650413 YWEPMVKQOMDQDJ-UHFFFAOYSA-N 385.388 2.650 0 40 GFAB O=C(CSC1CCCC1)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77100611 ZHXDVXOBSZIPCF-UHFFFAOYSA-N 386.521 2.703 0 40 GFAB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 224708162 SIAXCXBJPUSTCL-UHFFFAOYSA-N 397.836 2.827 0 40 GFAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C3COC3)C[C@H]21 514290141 SLIIZTYRAFWZDV-QUCCMNQESA-N 386.398 2.548 0 40 GFAB biogenic,in-vitro O=C(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccccn1 96112470 HMAHOVOWXCXEQP-LBPRGKRZSA-N 376.338 2.951 0 40 GFAB biogenic,in-vitro COC[C@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 247901088 VYFNLSOTTJZBNN-OAHLLOKOSA-N 375.494 2.737 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1[C@H]3CCCC[C@H]31)C2 247918635 GKJDDDHZQNKCGK-KVPLUYHFSA-N 382.508 2.871 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4)[nH]n2)c1 257243193 IFVYXOLJPYUCHN-RQNJPMPDSA-N 396.491 2.839 0 40 GFAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4ccc(OC)nc4)C[C@H]23)cc1 257222805 DUSUQTQXPABSBP-VAMGGRTRSA-N 381.476 2.659 0 40 GFAB COc1ccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)c(OC)c1 254872707 UAFZTNDLBNLXGC-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB O=C(N1CCO[C@H](c2cnccn2)C1)C1(Cc2ccccc2F)CCOCC1 257256624 KMGKRBRFGRREEV-IBGZPJMESA-N 385.439 2.555 0 40 GFAB CN1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)O)cs2)[C@H]1c1ccccc1 375588024 ORTGSZJXRPZWMA-RHSMWYFYSA-N 394.518 2.808 0 40 GFAB CC(=O)N1N=C(S(C)(=O)=O)[C@H](c2ccccc2)n2ncc(-c3ccccc3)c21 618256646 KVTIKYCJFAFGHR-SFHVURJKSA-N 394.456 2.864 0 40 GFAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(-c3nncs3)cc2)C1 626549203 CHFCCHRIXPCXJO-YESZJQIVSA-N 387.509 2.968 0 40 GFAB C[C@@H]1CN(C(=O)NCc2cccc(OCc3ccccn3)c2)CC[C@@H]1C(=O)O 626744992 GCUDAPBNWHONBB-BEFAXECRSA-N 383.448 2.913 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)CCc3ccc(F)c(C)c3)C2)cc1 96377962 ZXYYUOXLFYQYIN-UHFFFAOYSA-N 391.464 2.760 0 40 GFAB O=C(O)c1cc(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cs1 656763894 SQVCPDIDPUMPEH-OAHLLOKOSA-N 380.491 2.853 0 40 GFAB Cc1nnc([C@H]2CN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)CCO2)o1 683824276 UJRGPGQLPRKUFT-GDBMZVCRSA-N 376.388 2.514 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H]2CO)C3)cc1F 585104900 WJZJLGLGULKKHW-RBUKOAKNSA-N 390.499 2.602 0 40 GFAB CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@H](O)C(F)(F)C2)N(C)C)cc1 664906950 QNYYNFWZNOHGLG-MSOLQXFVSA-N 383.483 2.899 0 40 GFAB C[C@H](Sc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)c1cccc(F)c1 48364742 GMXYFLDDLYEQML-WFASDCNBSA-N 378.473 2.867 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 51451736 FUJZJBBLZXPKPK-CYBMUJFWSA-N 396.403 2.951 0 40 GFAB CCc1ccc(CN(C)Cn2nc([C@H]3CCS(=O)(=O)C3)n(C)c2=S)cc1 39996930 ORKHQQCXBVISPP-INIZCTEOSA-N 394.566 2.505 0 40 GFAB Cc1cc(C)n(CCN2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 90584184 JYUQZLAKXOPSCK-UHFFFAOYSA-N 390.915 2.767 0 40 GFAB COc1cc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)ccc1O 11694869 CGEDRCKHRONNKJ-PJSAGSTRSA-N 379.420 2.651 0 40 GFAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)on1 12118499 KPHOJBBZTDDYMJ-OAHLLOKOSA-N 396.451 2.863 0 40 GFAB CC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 12146648 NGRQSZLYZPFODB-QFIPXVFZSA-N 398.478 2.752 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)n1nc(-c2cc(C)oc2C)cc(N)c1=O 12291685 SUEPCOCJHYEFGB-ZDUSSCGKSA-N 396.447 2.588 0 40 GFAB COc1cccc(CNC(=O)CSc2nc(O)c3ccccc3n2)c1OC 12371652 WWPWNKLJCMIRFW-UHFFFAOYSA-N 385.445 2.761 0 40 GFAB biogenic,in-vitro O=c1c2sccc2ncn1C[C@@H](O)COc1cccc(Br)c1 15544260 IDCQQZWVKLSKEB-LLVKDONJSA-N 381.251 2.660 0 40 GFAB Cc1ccc([C@@H](NC(=O)CCn2c(C)cc(C)nc2=O)c2cccnc2)cc1 19136675 RUDOYIMBOQUTSQ-OAQYLSRUSA-N 376.460 2.859 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 19497938 BRKMZUWTHFBZSO-IFXJQAMLSA-N 378.476 2.765 0 40 GFAB COc1cc2c(cc1CN1CC[C@@]3(CCc4ccccc4C(=O)N3)C1)OCCO2 19550563 NHGLISCFMUQMQT-QHCPKHFHSA-N 394.471 2.787 0 40 GFAB CN(C)CC(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 19581741 XHKDLNGKYJKCCU-MAUKXSAKSA-N 379.439 2.685 0 40 GFAB Cc1cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c2ncccc2c1 19655996 WBXBPSCKPDXTRP-ZDUSSCGKSA-N 395.440 2.715 0 40 GFAB Cc1nc2ccc(C(=O)N3CCc4nnc([C@@H]5CCCN5C)n4CC3)cc2s1 19706303 MRWDNNFIGRLTMW-INIZCTEOSA-N 396.520 2.661 0 40 GFAB O=C1CN(Cc2cccnc2)Cc2cc(CCCO)ccc2OCCCCCN1 643580502 YPUFHDNYTJAFMX-UHFFFAOYSA-N 397.519 2.688 0 40 GFAB Cc1noc([C@H]2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)C2)n1 570588748 FUAWCZJORBEJML-JTQLQIEISA-N 390.856 2.993 0 40 GFAB O=C(CCOc1ccc(Cl)cc1Cl)N1CCN([C@@H]2CCC[C@H]2O)CC1 592412481 PMEMWYJFECWJSR-HZPDHXFCSA-N 387.307 2.820 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1C 10446460 LYTKOYFRZFPLRW-UHFFFAOYSA-N 393.487 2.911 0 40 GFAB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCC(C)CC1 4165775 XLCCEMHGZCXMFF-HAZIXKIPSA-N 396.578 2.957 0 40 GFAB NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 6348562 WCBZRTGMIPXGEJ-UHFFFAOYSA-N 391.193 2.627 0 40 GFAB Cc1nc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)ccc1F 1888890929 DYRNJPWIIAKPTG-GJZGRUSLSA-N 379.439 2.624 0 40 GFAB O=C(c1cnc2ccccc2n1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888924318 DCYOOAWASOCLHD-SZNDQCEHSA-N 393.422 2.880 0 40 GFAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 1889128446 QQMZYHNXKAMRJH-UHFFFAOYSA-N 387.915 2.597 0 40 GFAB Cn1cc(-c2cnc(OC3CCN(c4nc(C5CC5)ns4)CC3)nc2)cn1 1889186932 KGRLTMZEVUKXDT-UHFFFAOYSA-N 383.481 2.654 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 15816541 DTHBFVBYUWTSDF-UHFFFAOYSA-N 386.473 2.773 0 40 GFAB O=C(Nc1ccc(I)cn1)c1ccc2nsnc2c1 21595781 WZOGDVVJOYIRGU-UHFFFAOYSA-N 382.186 2.943 0 40 GFAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3cncnc3)CC[C@H]21 2037989192 YSWMQWRVDSOLPP-LEWJYISDSA-N 394.519 2.931 0 40 GFAB Cc1ccc2ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)n2c1 9830090 JCTVHHJCWAZRMS-UHFFFAOYSA-N 382.851 2.619 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38490373 HVCPHFLKCMRUGW-LSDHHAIUSA-N 384.457 2.565 0 40 GFAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cc(-c2ccco2)on1 225808471 VYCIOEBZMRTSED-UHFFFAOYSA-N 377.282 2.926 0 40 GFAB O=C(NC[C@@](O)(c1ccoc1)c1ccco1)c1cncc(Br)c1 575414069 XXRWRTUPBZPOTJ-MRXNPFEDSA-N 377.194 2.696 0 40 GFAB COc1ccc(CCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1OC 3598901 SMAHNNPUOLFRRS-UHFFFAOYSA-N 383.400 2.548 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc1 30903916 WPBVWOKZPNSPIQ-HXUWFJFHSA-N 375.428 2.867 0 40 GFAB biogenic CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1C(=O)OC 31497662 UIRYCJJZFHAXEU-LBPRGKRZSA-N 392.477 2.567 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 32100443 QWVRWFSFPVEUHL-INIZCTEOSA-N 383.835 2.948 0 40 GFAB COc1ccccc1OCCC(=O)NCCc1cc(F)cc2c1OCOC2 52900488 KTTNXDKJRTWTOW-UHFFFAOYSA-N 375.396 2.829 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Br 37382764 TZIFYRJANHSPGV-LBPRGKRZSA-N 376.272 2.555 0 40 GFAB COc1cccc(NC(=O)CCNC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)c1 12391415 ZFPFSAWVXNCBLL-UHFFFAOYSA-N 397.431 2.952 0 40 GFAB O[C@@H](CN(c1cc(C(F)(F)F)nc2ncnn12)C1CC1)c1ccc(F)cc1 79063894 GOCBPQKJZJGQBL-ZDUSSCGKSA-N 381.333 2.985 0 40 GFAB CCOc1ccccc1NC(=O)[C@H]1CCCN(c2c(C)c(C)nc3ncnn23)C1 4898137 FQOWXIANMHIOLW-INIZCTEOSA-N 394.479 2.995 0 40 GFAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 6963990 QKTWEEDFDONABC-LFIBNONCSA-N 390.461 2.753 0 40 GFAB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 6970239 FKWQGJGDOICPGW-UDWIEESQSA-N 378.344 2.848 0 40 GFAB CCN1C[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)Oc2ccccc21 7726397 YHVQONRAFSOXKV-INIZCTEOSA-N 376.478 2.603 0 40 GFAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 23411155 INGRJDIUJUVMGZ-GOSISDBHSA-N 378.432 2.989 0 40 GFAB Cc1ccn2cc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)nc2c1 23561680 OYHMCFRVHYIINC-LJQANCHMSA-N 382.439 2.585 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)CC(=O)NCc1ccco1 23790407 CURPDWZUNYYDGI-UHFFFAOYSA-N 380.448 2.530 0 40 GFAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 8433821 UQPOJRJJQREWBU-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2C)cc1 8729501 WNHFPLQUEDUAMH-UHFFFAOYSA-N 396.852 2.887 0 40 GFAB CCn1c(=O)c2ccccc2n2c(CNc3cc(C(=O)OC)ccc3F)nnc12 12537581 SSXDEZXKGXLDTJ-UHFFFAOYSA-N 395.394 2.602 0 40 GFAB O=C(CCc1nc(-c2ccsc2)no1)NCc1cccnc1-n1cccn1 24590157 GBSMNUGWNWQHOJ-UHFFFAOYSA-N 380.433 2.628 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 24662788 WIUQHHFZTLVODT-DLBZAZTESA-N 380.444 2.876 0 40 GFAB CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)ccc1O 1291914 WWXSGXCVMLKFJZ-SFHVURJKSA-N 399.451 2.942 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@@H]3C)nnc12 1331777 AUTJAEPIEUMSCO-AWEZNQCLSA-N 399.520 2.947 0 40 GFAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(C(=O)C2CC2)CC1 25166101 ANGXKHGRBPVXCT-UHFFFAOYSA-N 386.455 2.991 0 40 GFAB COc1cccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)c1OC 27022020 ZIDZRYOSFVSPEX-NOCYUORASA-N 397.481 2.948 0 40 GFAB Cc1ccc(C)c(OCC(=O)NCCNC(=O)COc2cc(C)ccc2C)c1 2135235 SPMSPLKMIQTPKY-UHFFFAOYSA-N 384.476 2.610 0 40 GFAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccccc1 20458911 SUMLTIRJZQEERM-VQIMIIECSA-N 388.489 2.871 0 40 GFAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 10765991 GMTQFNZMXKVPQI-UHFFFAOYSA-N 394.518 2.861 0 40 GFAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OCC(N)=O 36353732 QSXZIRRDPDTKIQ-HNNXBMFYSA-N 392.415 2.869 0 40 GFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 45833994 MJDIHDOBNQTJOK-JLTOFOAXSA-N 398.434 2.775 0 40 GFAB COc1cccc(CNCCNC[C@H](C)O)c1OCc1ccccc1Cl 22075190 FRJUQWPEBYKJMO-HNNXBMFYSA-N 378.900 2.988 0 40 GFAB CCOc1ccc(C(=O)N[C@H](C(=O)NCCCN2CCCCC2)C(C)C)cc1 11713351 MCVNDRNOAHNAIZ-FQEVSTJZSA-N 389.540 2.832 0 40 GFAB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1 12197238 UDYXHLZVECUKEX-INIZCTEOSA-N 398.459 2.999 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c(C)c1 12998550 VVTRFJPTBQVUCH-KRWDZBQOSA-N 397.475 2.812 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1 20012910 MZVZNAULWQNGAO-IBGZPJMESA-N 388.489 2.510 0 40 GFAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1 49081239 UUOREMRQHMTGQH-AWEZNQCLSA-N 381.432 2.896 0 40 GFAB CCOc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 38834383 CGXIDSHCGAMZJL-SFHVURJKSA-N 390.461 2.641 0 40 GFAB COc1cc2oc(=O)c(CC(=O)N3CCc4nc[nH]c4C3)c(C)c2cc1Cl 13551432 VTIFYTXUNSVJKZ-UHFFFAOYSA-N 387.823 2.614 0 40 GFAB C[C@H](NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1 4563371 IUOFANIKWRXYCT-HNNXBMFYSA-N 379.416 2.590 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 6560475 QPEKFLYXRNGLDD-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1 96115084 MQAVSPHISXZPLD-KRWDZBQOSA-N 394.427 2.583 0 40 GFAB biogenic COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cn4ccccc4n3)C2=O)cc1 9338297 IMTDOSKOWHTHHM-NRFANRHFSA-N 378.432 2.786 0 40 GFAB CC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 6822292 OAPPCQZMNSOKJZ-UHFFFAOYSA-N 399.413 2.739 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 15413527 QUHSHCXWZGCYMD-UHFFFAOYSA-N 381.837 2.914 0 40 GFAB Cc1nn(C)cc1[C@@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 68156534 HOJPXMGDEMXXFH-GFCCVEGCSA-N 399.520 2.646 0 40 GFAB COc1cccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)c1 7716542 DNTYKDHCBMIEIA-MOPGFXCFSA-N 390.443 2.620 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1C 16455362 BUSKNQIGVIETQB-FQEVSTJZSA-N 385.395 2.623 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 17904707 COWPKXGKPUOSHG-MRXNPFEDSA-N 397.450 2.838 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2C[C@H](C)O[C@H](C)C2)c1 18145259 HCIBJUPERBWVBQ-GASCZTMLSA-N 399.582 2.832 0 40 GFAB COCCN1C(=O)N[C@@H](c2cc(Br)cs2)C(C(=O)OC)=C1C 8884236 WTLNUONZSKOOTC-LBPRGKRZSA-N 389.271 2.670 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 95464366 LGJWZNWEDXJKHP-PXNSSMCTSA-N 386.448 2.749 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)c1 85420811 PWNRLDPQVXUNFA-VZRKHXGSSA-N 379.416 2.525 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 408652634 GHVVIDAPTHXZRO-OAHLLOKOSA-N 388.464 2.748 0 40 GFAB Cc1nnc(NC(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)s1 22845734 HKTZPEBKTMHNBW-UHFFFAOYSA-N 399.442 2.622 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccccn3)C[C@@H]21 306133493 MNHBXLLTYBFMPY-CTNGQTDRSA-N 377.469 2.899 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O 21636528 IJRYAXLMZBVDDI-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl 408550607 DTYBSIOTWPQLMQ-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CCOc1c(OC)cc(CNC(=O)NCc2ccc3c(c2)OCO3)cc1OC 60244588 OOELHTKJAUOYPP-UHFFFAOYSA-N 388.420 2.831 0 40 GFAB Cc1cccc(C(=O)N2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 306141136 VMBBJOQEMQLSOX-NHCUHLMSSA-N 386.455 2.913 0 40 GFAB Cc1nc(NCCNC(=O)Cc2c[nH]c3ccccc23)cc(N2CCCC2)n1 38670684 QIZJOAIWDFYUKY-UHFFFAOYSA-N 378.480 2.637 0 40 GFAB O=C(NCCCn1ccc2ccccc21)c1c(-n2cnnn2)sc2c1CCC2 524733679 DOEOECOVARDHRO-UHFFFAOYSA-N 392.488 2.987 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)C2)n1 525992985 XSVUDDXHLRBEPF-YKGVXJPYSA-N 391.515 2.961 0 40 GFAB COc1cc(C(c2c(O)cc(C)oc2=O)c2c(O)cc(C)oc2=O)ccc1O 6825389 SFPIJCZKOBKTRH-UHFFFAOYSA-N 386.356 2.515 0 40 GFAB biogenic Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1 71327248 BWNKVFKIQDDIJW-UHFFFAOYSA-N 395.438 2.911 0 40 GFAB COC[C@@H](C)NC(=O)CN1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 72374273 DXJQJNIBXVNVAJ-QGZVFWFLSA-N 397.523 2.859 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc3c2CCNC3=O)CC1=O 562715991 HYJWLRSOYSZZOZ-HNNXBMFYSA-N 377.444 2.527 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 71328972 UIMQDGMXAOTCGB-SPLOXXLWSA-N 393.443 2.679 0 40 GFAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 222864556 NSAHOQNYLCRVGD-QZTJIDSGSA-N 381.509 2.785 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 41153833 DFHLAIUQRKIWCJ-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB COc1cccc(N([C@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)c1 220178304 OWUCMPHVPCUUGH-MRXNPFEDSA-N 390.505 2.599 0 40 GFAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)Cc2cc(F)ccc2F)CC1 77099741 CBMBPLIXHWLDDE-UHFFFAOYSA-N 398.431 2.530 0 40 GFAB O=C(COC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 44214376 IEYRYPYSAIBOHP-QGZVFWFLSA-N 395.411 2.836 0 40 GFAB O=C(N[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1cnccn1 96079847 DYDJYXNEILHOJI-SFHVURJKSA-N 378.476 2.975 0 40 GFAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)COc2ccccc2)C3)cc1 96269238 NNSCLIKUBMEJDO-IBGZPJMESA-N 377.444 2.953 0 40 GFAB biogenic,in-vitro Cc1nc(-c2cc(C(=O)N3CCOCC3)c3ccccn23)cn1-c1ccccn1 96154969 ULWUKKRSYQOYAQ-UHFFFAOYSA-N 387.443 2.968 0 40 GFAB Cc1cc(O)c(C(c2ccc3c(c2)OCO3)c2c(O)cc(C)oc2=O)c(=O)o1 95532343 RXXYOLBTQRXNEH-UHFFFAOYSA-N 384.340 2.530 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242390166 ABQNVLMROCNAHX-QKNQBKEWSA-N 387.501 2.751 0 40 GFAB Cn1ncc2c1C[C@@H](C(=O)Nc1ccc(F)cc1Cn1ccsc1=O)CC2 585140102 HISJWKWMAHHLRT-LBPRGKRZSA-N 386.452 2.574 0 40 GFAB COc1ccc(CN2C[C@@H]3CN(C(=O)C4CCCC4)CCN3C(C)(C)C2)cc1 253409163 ZQPKAYDNNIFXPS-HXUWFJFHSA-N 385.552 2.992 0 40 GFAB biogenic,in-vitro O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc2ccc(Cl)cc2s1 257230682 GDKUPJOAKUVPSU-YOEHRIQHSA-N 381.885 2.504 0 40 GFAB CCC(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NCC3CC3)c(C)n2n1 257320519 VXEKPYVYYNCXBB-IBGZPJMESA-N 397.523 2.878 0 40 GFAB CCc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260741045 DOEJJXQQNILDJW-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB C[C@H]1CN(C(=O)c2cncc(-c3cnn(C)c3)c2)c2ccccc2N(C)C1=O 607605190 RFZZUOIINBKVOA-AWEZNQCLSA-N 375.432 2.741 0 40 GFAB O=C(Cc1csc(C2CCCC2)n1)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615591843 SYRFFIPONYAUPE-DLBZAZTESA-N 375.538 2.570 0 40 GFAB C[C@H](NC(=O)c1cccc(-n2ccnc2S(C)(=O)=O)c1)c1ccc(F)cc1 390826567 AMCHGPOQJAJGQI-ZDUSSCGKSA-N 387.436 2.906 0 40 GFAB O=C(NCCn1ccnc1-c1cnccn1)c1ccc(OC(F)(F)F)cc1 575609475 LWIZMEDQSTWEAU-UHFFFAOYSA-N 377.326 2.669 0 40 GFAB O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@@H]1C[C@H](c2ccccc2)CO1 661469555 JRNGMWMCQKZFJQ-GJZGRUSLSA-N 380.370 2.867 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C2)n1 585292185 YCSFSGKXAAHANQ-SQRWCISFSA-N 389.463 2.984 0 40 GFAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)[C@]3(C)CC3(Cl)Cl)cc2)C1=O 53127316 GEZBEDZLAJAGCA-KRWDZBQOSA-N 398.290 2.717 0 40 GFAB CC(C)c1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 943910 IPQICWIYVMTGMG-SFQUDFHCSA-N 375.453 2.849 0 40 GFAB O=C(O)CSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1 5664243 OASJPWQLYVTQGY-QTGCHDBNSA-N 386.454 2.785 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 11859147 UVQRIPDTBBUCDQ-LALPHHSUSA-N 388.342 2.991 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccccc1 15718201 WZKQCJZUVORQPW-UHFFFAOYSA-N 390.530 2.759 0 40 GFAB Cn1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc2cc(F)ccc21 19289754 ZVKCUKIJZOUHOO-GOSISDBHSA-N 379.439 2.730 0 40 GFAB CC(C)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCC5)C4)nn3c(O)c2C1 19448071 QDUOPFMKJLOZNW-INIZCTEOSA-N 397.523 2.708 0 40 GFAB COc1cc2c(cc1CN1CC[C@]3(CCc4ccccc4C(=O)N3)C1)OCCO2 19550565 NHGLISCFMUQMQT-HSZRJFAPSA-N 394.471 2.787 0 40 GFAB COc1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 19552206 JEBWQWJFFQZYIR-QGZVFWFLSA-N 392.459 2.839 0 40 GFAB O=C(c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)N1C[C@@H](O)CC(F)(F)C1 648876434 ZJGHOSSURBGPTF-NSHDSACASA-N 399.800 2.996 0 40 GFAB COc1ccc2cnc([C@@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)cc2c1C 19582617 OZMYIKOPDXLNBX-IAGOWNOFSA-N 381.476 2.736 0 40 GFAB OC[C@H](c1ccc(Cl)cc1)N1CCN(c2cc(NCC3CC3)ncn2)CC1 677501881 KJVHBWNAIUAEEL-GOSISDBHSA-N 387.915 2.808 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc2c(c1)NC(=O)CS2 5936760 ZEBXHPHTBADLIU-UHFFFAOYSA-N 389.502 2.571 0 40 GFAB CCCc1nnc(S)n1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 22291953 VPJZNJUOAVKIAB-UHFFFAOYSA-N 394.570 2.846 0 40 GFAB COc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cn1 24529310 LNDGEORMFDTIQU-UHFFFAOYSA-N 396.310 2.872 0 40 GFAB CCOc1ccccc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1OC 5075966 YGUYBFUCOHASHV-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB Cc1ccc(CN2CCC[C@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)cc1 2055772411 GQAPCGHGXCDRLE-SFHVURJKSA-N 380.414 2.861 0 40 GFAB CC(C)c1noc(CN2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)n1 1775972237 DSCUVEUHNOSFJZ-UHFFFAOYSA-N 396.499 2.611 0 40 GFAB O=S(=O)(Cc1noc2ccccc12)NC[C@@H](c1ccsc1)n1cccn1 575614216 PRYPNYQMXGUAHC-INIZCTEOSA-N 388.474 2.795 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575610111 SNYDBKFXSGZONY-OAHLLOKOSA-N 397.884 2.761 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(C(=O)O)cc1 7813828 RYQXBCDSDDDZIH-UHFFFAOYSA-N 379.368 2.997 0 40 GFAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccccc1OC(F)(F)F 40012279 NKPADLKHLIMZOR-UHFFFAOYSA-N 393.325 2.789 0 40 GFAB COc1cc([C@H](C)NC(=O)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC 40111839 BGGKLEOEPSREPD-ZDUSSCGKSA-N 396.443 2.974 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccc(C(=O)OC)cc1 20719990 HXXLJHIJTRRXGM-SFHVURJKSA-N 381.388 2.648 0 40 GFAB CSCC[C@H](C(=O)Nc1nc(C)c(C)s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101406480 LHFPNBBPTJRWSX-HZSPNIEDSA-N 395.550 2.995 0 40 GFAB Cc1ccc(-n2ccnc2SCC(=O)NCCC(=O)N2CCCC2)cc1C 32716768 IXWWWMGMEOPJTI-UHFFFAOYSA-N 386.521 2.710 0 40 GFAB COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(=O)sc3c2)cc1 816397 BCMRTPHYIZOOBT-UHFFFAOYSA-N 379.415 2.605 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccc(OC)c3)cc2c1 1366875 DIYIIQYULUIDMR-UHFFFAOYSA-N 396.443 2.570 0 40 GFAB COc1ccc(CN2CCn3ncc(C(=O)Nc4ccccc4)c3C2=O)cc1 1386376 IJHCMRDPLFBMPV-UHFFFAOYSA-N 376.416 2.800 0 40 GFAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(-c2ccccc2)cc1 1647447 DWCQDZKZJRKCFX-UHFFFAOYSA-N 385.217 2.849 0 40 GFAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCCC1 2252765 WVPIEICJOGDZCL-UHFFFAOYSA-N 389.452 2.786 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CCCC(=O)O)C2=O)cc(OC)c1OC 2417253 WVJIZXHAXSCGID-UKTHLTGXSA-N 381.406 2.614 0 40 GFAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 2457045 DNASXEWGPCPNGX-AWEZNQCLSA-N 378.454 2.584 0 40 GFAB O=Cc1cc(Br)ccc1OCC(=O)NC(=O)NCc1ccccc1 2663951 UFDDLLGPERZYDC-UHFFFAOYSA-N 391.221 2.666 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)c(OC)c1 4046468 DCOPAJRUJWOCLS-OXJNMPFZSA-N 396.399 2.503 0 40 GFAB biogenic COCCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 4133329 QPYSIWOFARWHSB-UHFFFAOYSA-N 389.521 2.802 0 40 GFAB O=C1CCC(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)=NN1 4349382 FHNPFSJDSKZGCS-UHFFFAOYSA-N 381.413 2.625 0 40 GFAB O=C(O)[C@H]1CS[C@@H](c2cc(Br)c(O)c(Br)c2)N1 4547571 YSXSRLZSKXDLNH-APPZFPTMSA-N 383.061 2.705 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC 4682174 XGTHUMAAWOCFIC-PKNBQFBNSA-N 390.461 2.752 0 40 GFAB CCOC(=O)N1CCN2c3ccccc3CC3(C(=O)CC(C)(C)CC3=O)[C@@H]2C1 4915050 LUNLTNRLIQLPIV-KRWDZBQOSA-N 384.476 2.834 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152810 OMZJYQDZDIYQPY-GOSISDBHSA-N 395.484 2.878 0 40 GFAB CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 5415166 YYQMOOMALRKQAZ-RDJZCZTQSA-N 380.529 2.709 0 40 GFAB biogenic,in-vitro COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCO)c1 5562701 ATEUSEKHVBDGLM-KRWDZBQOSA-N 385.803 2.993 0 40 GFAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1 5854239 LZDSPUAZSYCRQO-UHFFFAOYSA-N 381.476 2.553 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc12 6660993 WPYWJJCHDPCEGT-UHFFFAOYSA-N 396.418 2.968 0 40 GFAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O 6859841 GBWPGPPJQVRKKY-QGZVFWFLSA-N 383.473 2.966 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 6880213 HKOKSLGFSSPNAI-UHFFFAOYSA-N 386.517 2.892 0 40 GFAB COc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F 7382263 NSDBBEUVOWLEHR-UHFFFAOYSA-N 384.860 2.999 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C)c2C)C1=O 8088157 LZGPACIJLROYLU-WOJGMQOQSA-N 380.448 2.736 0 40 GFAB CSc1nc2nc(C)c(CC(=O)Nc3ccc4c(c3)OCCCO4)c(C)n2n1 8186133 PRWDTHIGJHMLFQ-UHFFFAOYSA-N 399.476 2.806 0 40 GFAB O=C(COc1ccc(Br)cc1)NCCCNC(=O)c1cccs1 8402588 KZWSPVFLDALWJM-UHFFFAOYSA-N 397.294 2.826 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)CC1 8734557 OMGYQWDWZOJHIS-UHFFFAOYSA-N 393.440 2.874 0 40 GFAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NC(C)(C)C)C3=O)ccc2c1 8744780 ZVJPRVNKLACAPT-NRFANRHFSA-N 383.448 2.530 0 40 GFAB COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810339 DXRAHYROXZJWCW-UHFFFAOYSA-N 386.832 2.656 0 40 GFAB Nc1nc(NC(=O)[C@H]2CCCO2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 8992481 HCACBGZFABKIGK-GFCCVEGCSA-N 390.856 2.744 0 40 GFAB COC(=O)[C@](NC(C)=O)(Nc1nc2c(C)c(C)ccc2s1)C(F)(F)F 9089977 DDUYGFKBYKLCRP-AWEZNQCLSA-N 375.372 2.893 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(=O)OC)C1 9204421 BQGDSDXLCKYDKT-UHFFFAOYSA-N 393.421 2.598 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC(C)C)C1 9225930 TYHJUDISCPIGJC-INIZCTEOSA-N 382.526 2.567 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)NCCc1nc(-c2ccccc2)no1 9306099 YORJWWNIRBKRLT-UHFFFAOYSA-N 391.383 2.581 0 40 GFAB biogenic O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCSc2ccccc21 9909917 NCGFWNGVKRYJOO-NRFANRHFSA-N 393.468 2.519 0 40 GFAB CCOc1ccc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 10251416 XLQNMTIAHOVETM-UHFFFAOYSA-N 389.415 2.673 0 40 GFAB CCC(CC)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 10788410 JIRHZHYHQPQACR-KRWDZBQOSA-N 388.464 2.545 0 40 GFAB CC(=O)NCCC(=O)O[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 11776805 HQLPQOVNBDNYCM-QMMMGPOBSA-N 380.750 2.755 0 40 GFAB CC(=O)Nc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 12188295 GRTMXNPCTHROSI-JOCHJYFZSA-N 395.503 2.806 0 40 GFAB CCc1ncc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cn1 12276718 JDUCYZXGOCGLJX-UHFFFAOYSA-N 390.447 2.914 0 40 GFAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 12365734 WZBDIRFCCCYJDI-KRWDZBQOSA-N 387.461 2.601 0 40 GFAB Fc1ccccc1N1CCN(Cn2nnn(Cc3ccccc3)c2=S)CC1 12740319 JUFXRUAJKSGCSV-UHFFFAOYSA-N 384.484 2.776 0 40 GFAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3cccc(Cl)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12776676 ILXDDQNPLLGHNZ-BLDNINTCSA-N 383.828 2.675 0 40 GFAB CCOC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 12899157 QQJDNBPRPBHUEX-UHFFFAOYSA-N 379.416 2.642 0 40 GFAB biogenic Cc1cccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 12978639 HBIRBAVDUOCESM-UHFFFAOYSA-N 379.460 2.602 0 40 GFAB CCCOc1ccccc1NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 14017595 WPAOKFCGZBVVEA-UHFFFAOYSA-N 381.432 2.611 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1 14200431 JKTHJVNBDTWNOK-VIFPVBQESA-N 397.428 2.880 0 40 GFAB CCOc1ccc(CN(C)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1OC 14242263 ZAPXYQXXSNHUHQ-GOSISDBHSA-N 397.475 2.646 0 40 GFAB CCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 14357084 VRUTVGDTJIZLQS-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB CCCc1nn2c(=O)cc(COC(=O)COc3ccc(C)c(C)c3)nc2s1 15734260 HIJQGQKUPGFZTK-UHFFFAOYSA-N 387.461 2.843 0 40 GFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 15773140 IVXMJIBRMFJGHW-QFIPXVFZSA-N 377.488 2.745 0 40 GFAB O=C(NC[C@H]1CCCO1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293665 HIVWISQKOVTKSM-MSOLQXFVSA-N 390.455 2.801 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)c4csc(C)c4)C3)ncc2C1 19571772 DWHBKABNKCCAEJ-OAHLLOKOSA-N 384.505 2.771 0 40 GFAB Cc1nc(CC2CCN(C(=O)COc3ccc(F)cc3)CC2)cc(N(C)C)n1 19758716 ISPBMAUGZMLASC-UHFFFAOYSA-N 386.471 2.850 0 40 GFAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3ccc(F)cc3)n2)cc1 20716908 ZRBPWHRDYUUEEE-UHFFFAOYSA-N 384.367 2.676 0 40 GFAB CC(C)/N=c1\ccccn1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 23197473 JUWZSWUMUIVXPC-FCDQGJHFSA-N 389.411 2.875 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30938143 HBZQETVWNREGHW-INIZCTEOSA-N 392.502 2.883 0 40 GFAB Cc1ccn(S(=O)(=O)c2cc(Br)ccc2Br)n1 31800808 WFNBVWCGHBLLKM-UHFFFAOYSA-N 380.061 2.954 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccc3c(c2)OCO3)n2nc(-c3ccc(C)cc3)nc2N1 32816957 SDLJGMZBTHCIDT-SFHVURJKSA-N 389.415 2.756 0 40 GFAB CO[C@H](CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1ccccc1 32833874 OMNXWOAVRWPCDW-CQSZACIVSA-N 383.473 2.830 0 40 GFAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 35904199 NGEGGVYNURDQQT-WCIQWLHISA-N 389.411 2.677 0 40 GFAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c[nH]c2c1 36357814 MNRWYFOFRIKXGN-YVEFUNNKSA-N 387.436 2.685 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncn(Cc2ccccc2F)n1 36615462 BGKVYERYMQSCTB-QGZVFWFLSA-N 384.367 2.764 0 40 GFAB O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 36700123 ZKQTYMGDUDZJOZ-GOSISDBHSA-N 380.897 2.692 0 40 GFAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1cccc(C(F)(F)F)c1 40030691 VGPOPTMMBJAMQJ-UHFFFAOYSA-N 382.367 2.765 0 40 GFAB C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)n1cncn1 40108147 IZCMHOMXHMKEHM-QAPCUYQASA-N 381.505 2.816 0 40 GFAB COc1ccc(CN(C)C(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1 40129468 LWDJQEVUVFIUON-UHFFFAOYSA-N 385.464 2.868 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccc(OCC(C)C)nc2)cc(C(=O)OC)c1 40134515 NLLUOLICGPFUGL-UHFFFAOYSA-N 386.404 2.942 0 40 GFAB Cc1oc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCC1 40142313 VMBDXNQEIGPMCY-HOCLYGCPSA-N 398.525 2.698 0 40 GFAB CC(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1 51357154 YSIHTWRWFOEJEP-UHFFFAOYSA-N 384.407 2.534 0 40 GFAB CC[C@H](C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 55441572 CGLRFZYYTDECAO-DJJJIMSYSA-N 390.447 2.571 0 40 GFAB COc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1S(=O)(=O)NC(C)C 55750944 GBQCLDXTLTVWMT-UHFFFAOYSA-N 380.441 2.798 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc(CN2CCCC2=O)c1 58114576 SXMUDDYIRMJZMV-UHFFFAOYSA-N 386.473 2.773 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)cc2c1OCCO2 58495797 ZOWLSFKXKCKPQE-UHFFFAOYSA-N 395.820 2.561 0 40 GFAB Cc1noc(C)c1CN1CCN(C(=O)c2cnc3c(cnn3C(C)C)c2)CC1 58977866 VZGFSHXCUQUNHX-UHFFFAOYSA-N 382.468 2.575 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)CC(=O)NCC(F)(F)F 64812127 MBPUREXQXQYTBC-VWLOTQADSA-N 393.818 2.761 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc3c(c1)OCO3)CC2)C1CC1 70638438 GLYJCCSILYXBOD-UHFFFAOYSA-N 386.433 2.811 0 40 GFAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 72346100 FVWLUZIAFAOQJH-QGZVFWFLSA-N 393.491 2.721 0 40 GFAB CCOc1ccccc1C(=O)NCCn1nc([C@H]2CCN(C)C2)c2cccnc21 72391587 OGFNJZPDBYAECI-INIZCTEOSA-N 393.491 2.679 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1cccc(-n2cccn2)c1 84383384 ILDBWISGSSTZFP-BQFCYCMXSA-N 385.493 2.537 0 40 GFAB COc1ccccc1N(CCn1ccnc1)S(=O)(=O)c1ccc(F)cc1 95949423 HZAJTEYVENOBDA-UHFFFAOYSA-N 375.425 2.926 0 40 GFAB CCc1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 96355817 GFZZFNRACFCWDX-TYCQWZJGSA-N 398.528 2.824 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 100395054 QGBTWPVIZQOBMU-DSIZOQBWSA-N 383.444 2.994 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)N2CCC[C@H]32)cc1 100608569 NMGOVUSWQPVCMX-WTGUMLROSA-N 390.439 2.530 0 40 GFAB O=C(c1ncoc1-c1ccc(F)cc1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100751971 DDWAKEBVKGDCQQ-UKRRQHHQSA-N 379.391 2.902 0 40 GFAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@H](C[C@H]21)[C@](O)(C(C)C)[C@H]3O 103050410 HRQUJKIMIXCOBO-SYKCWHKLSA-N 380.525 2.919 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 105665591 RJGDABLUPJEITG-AEFFLSMTSA-N 382.501 2.845 0 40 GFAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCN)C[C@H]2OC(=O)C(Cl)(Cl)Cl 109274986 RFTGQCIGPGBFLY-FZQKWOKYSA-N 385.719 2.560 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1Cl 224137355 SHGITJONPKOPKB-UHFFFAOYSA-N 396.896 2.853 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccc(Cl)cc2)cc1 224343267 KFWWEGYTPSGTOP-UHFFFAOYSA-N 383.853 2.625 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 224574556 OYQRUJQARRCWNX-KRWDZBQOSA-N 384.476 2.611 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)C(C)C 225206083 SIGHNDCOCKEWOI-OAHLLOKOSA-N 382.526 2.890 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)c1F 239846259 LAEJIRDFMIWOTI-MRXNPFEDSA-N 395.438 2.966 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 244975021 HXZJBPSYYWLLEY-WFASDCNBSA-N 383.429 2.954 0 40 GFAB C[C@H]1CN(C(=O)Cn2cc(-c3cccc(Br)c3)cn2)C[C@@H](C)O1 252484426 FVUJDHNONPQCCP-BETUJISGSA-N 378.270 2.948 0 40 GFAB CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@H]3N2C(=O)[C@H]1C 252515510 KOVMAAYRBJCASY-XZEJUNMKSA-N 398.503 2.551 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@H]21 306133495 MNHBXLLTYBFMPY-PZJWPPBQSA-N 377.469 2.899 0 40 GFAB CCn1cc(CN2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306141171 VMZDFMXSEUMCGU-UYAOXDASSA-N 383.473 2.918 0 40 GFAB O=C(NCc1nc2ccccc2[nH]1)C1CN(c2cc(-c3ccccc3)ncn2)C1 390829226 XNHOGUOQTVHINU-UHFFFAOYSA-N 384.443 2.773 0 40 GFAB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 408552691 MZGRFEUABYFXKA-UHFFFAOYSA-N 383.301 2.538 0 40 GFAB CCOCCCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408703980 HUGAOWMITLJHHU-UHFFFAOYSA-N 376.478 2.672 0 40 GFAB c1cc2c(cc1-c1noc(CNC3(c4ccc5c(c4)OCO5)CC3)n1)OCO2 537129197 JNNVXZDDXYABRS-UHFFFAOYSA-N 379.372 2.973 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 568730705 VRSUKNPVFGOCDJ-XLNGHYISSA-N 384.929 2.668 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ccncn2)C1 575609600 NKKREOVWYOYAED-ZDUSSCGKSA-N 387.383 2.728 0 40 GFAB COCCN(C)c1cnn([C@H]2CCCN(Cc3cccc(C)c3C)C2)c(=O)c1 583618415 UNIAYYMTJLXDPU-FQEVSTJZSA-N 384.524 2.780 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](n4cnc5ccccc54)C3)ccc2N1 585149351 RWZSJZJBGKNNCI-OAHLLOKOSA-N 396.472 2.557 0 40 GFAB CN1C(=O)CC[C@H]1CC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 636132193 ZRWPKVXEDDPUBX-FQEVSTJZSA-N 383.536 2.902 0 40 GFAB COc1nc(C)cc(C)c1CN(C)C(=O)CCSc1ncnc2[nH]cnc12 636244574 VOQNEYACWYCHIS-UHFFFAOYSA-N 386.481 2.514 0 40 GFAB CS(=O)(=O)CC[C@@H](Cc1cccc(-c2ccc(C(=O)O)cc2F)c1)C(=O)O 657207917 KVFVWZSGXZICKZ-HNNXBMFYSA-N 394.420 2.869 0 40 GFAB O=C(O)[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 1594965045 NALXCSYZIFWRCI-MRXNPFEDSA-N 383.828 2.993 0 40 GFAB Cc1cc(C(F)(F)F)nc(N[C@]23CC[C@@H]2CN(C(=O)c2cccn2C)C3)n1 1614423277 ZITQHDDYBJWOQQ-PXAZEXFGSA-N 379.386 2.859 0 40 GFAB O=C(CCF)N1CCC2(CC1)OCCN(C[C@@H]1CCCO1)c1ccccc12 1614932994 FDCUNCPCQMEFQT-KRWDZBQOSA-N 376.472 2.880 0 40 GFAB C[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)C1 1708073228 MLYGYPSQHOCOQL-IRXDYDNUSA-N 388.560 2.588 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC(n2c(C(C)C)nc3ccccc32)C1 1888906825 JSXZQSUADIBHBA-UHFFFAOYSA-N 387.509 2.756 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nncn2-c2ccccn2)c1 933985 NDOVKFQKQDLXCU-UHFFFAOYSA-N 383.433 2.570 0 40 GFAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1891246 DVTZWTPGRHZOJK-UHFFFAOYSA-N 382.507 2.793 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2939372 QRRQFURTGYUQLY-IZZDOVSWSA-N 390.892 2.886 0 40 GFAB COc1ccc(CNC(=O)COC(=O)/C=C/c2cnc3ccccc3n2)cc1 3279163 COQHHTWPXCHFGS-DHZHZOJOSA-N 377.400 2.511 0 40 GFAB CCCNC(=O)NC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 3439549 GJULBBKZLCUMLA-UHFFFAOYSA-N 381.483 2.618 0 40 GFAB O=C1N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4183796 ONSSMENOOLOIFH-GRDNDAEWSA-N 382.313 2.930 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351989 JJTLTJPJMFUXFV-UHFFFAOYSA-N 380.400 2.698 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2C(=O)Nc2ccc(C)cc2C)cc1 4497835 LUSCFUDJAFXYCW-UHFFFAOYSA-N 385.449 2.783 0 40 GFAB Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 4938219 CQEULNDVDMHKSJ-UHFFFAOYSA-N 386.260 2.985 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1C 5075412 FUMBKSNPSDJKJA-UHFFFAOYSA-N 394.518 2.953 0 40 GFAB COc1cccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1OC 5136712 BHIWOTSICPZLQT-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 6326815 SFDXIVHAHDZCTG-NVNXTCNLSA-N 376.434 2.881 0 40 GFAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1cccnc1 6581906 GZKIHPNDMJMUSG-UHFFFAOYSA-N 397.460 2.769 0 40 GFAB CC1CCN(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)CC1 7191781 YNQBIVNTPBVETD-UHFFFAOYSA-N 394.468 2.868 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1C 7687297 WHPSRDIIPWBEAX-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccco4)C3=O)c2C)no1 8325707 OLADBFJTLGYWHE-HXUWFJFHSA-N 396.403 2.633 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1 8391454 BFAJXLVBWVXGJJ-UHFFFAOYSA-N 383.433 2.570 0 40 GFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Br)s1 8428912 HMMFUYHFXWIVCS-UHFFFAOYSA-N 386.248 2.538 0 40 GFAB Cn1ccnc1Sc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 8709978 UOHQAJKZLRPLNS-UHFFFAOYSA-N 392.440 2.806 0 40 GFAB O=C(Nc1onc2c1CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 8976702 SRNQHDDDGYMYGG-AWEZNQCLSA-N 395.506 2.797 0 40 GFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2ccccc2o1 8982294 FHZYGVGYTOUDLB-KRWDZBQOSA-N 390.395 2.788 0 40 GFAB CCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 9155055 NESQYWOVQWYENO-UHFFFAOYSA-N 394.468 2.898 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccc(Cl)cc1 9254984 JWIQWDJAUZNVHV-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB Cc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1F 9335613 LWIOZEVMUXBQPI-UHFFFAOYSA-N 379.457 2.743 0 40 GFAB COc1ccc(CNC2=N[C@H]([C@@H]3CC=CCC3)n3c(nc(C)cc3=O)N2)cc1 9426313 IVIIJBQRVGWIQK-APWZRJJASA-N 379.464 2.987 0 40 GFAB O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1Cl 9870558 SXZAEKCZHOQZQL-GOSISDBHSA-N 387.842 2.933 0 40 GFAB CC(=O)c1ccccc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10167583 IHWPLSMCXHTHIO-KRWDZBQOSA-N 386.473 2.521 0 40 GFAB CC1CCN(c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nn2)CC1 10213348 DCSCXPRCFWHJSB-UHFFFAOYSA-N 379.508 2.604 0 40 GFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 10448754 GXBJARQTVATLNC-INIZCTEOSA-N 390.505 2.865 0 40 GFAB Nn1c(SC[C@@H](O)COc2ccc3ccccc3c2)nnc1C(F)(F)F 11239818 JFAWQGLDLILSGL-LBPRGKRZSA-N 384.383 2.696 0 40 GFAB C[C@@H](O)CNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O 12186511 SKEDBJSPZRKUAM-CQSZACIVSA-N 392.434 2.990 0 40 GFAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1C[C@H]1CCCO1 12406749 YYHOGWSAZZDCNT-GFCCVEGCSA-N 382.445 2.578 0 40 GFAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(Cc4c(F)cccc4Cl)C3)c2n1 12471212 MEDBEGQDPQFXAD-GFCCVEGCSA-N 390.850 2.940 0 40 GFAB CCc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)c1 12521907 BYOHVUYYJSHJSE-IBGZPJMESA-N 377.488 2.951 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12849281 JQTXAUNNMBZIQS-GOSISDBHSA-N 398.434 2.634 0 40 GFAB O=C(NCCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccs2)CC1 12878221 PMBDCONCSHWDOT-UHFFFAOYSA-N 386.473 2.688 0 40 GFAB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)o1 12921101 YVIMAJNDGFXEHR-SECBINFHSA-N 376.434 2.669 0 40 GFAB O=c1cc2c(nn1Cc1ccc(F)cc1)-c1cnc(N3CCCCC3)nc1CC2 13266070 XUPHXBMIWGHGJI-UHFFFAOYSA-N 391.450 2.977 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)C[C@@H](C)O1 13303945 XSANVVJUSSRLQI-GASCZTMLSA-N 380.510 2.547 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 13790031 LFAQZBIYJVDMGE-GFCCVEGCSA-N 383.470 2.559 0 40 GFAB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCCO4)c2C(N)=O)C1 14115543 NFHNTBPNHLDXKY-NSHDSACASA-N 386.473 2.924 0 40 GFAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N1CCOCC1 16755512 PTGLJTVSQKBWAQ-KAMYIIQDSA-N 380.853 2.625 0 40 GFAB COc1ccccc1-n1c(=S)[nH]c(O)c([C@@H]2NCCc3ccccc32)c1=O 17197311 VERGXPPEFDEVPB-QGZVFWFLSA-N 381.457 2.844 0 40 GFAB Cc1cccnc1-n1cccc1CN1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 19237901 XCQFFHJOQGQQAX-UHFFFAOYSA-N 398.470 2.884 0 40 GFAB COc1cccc(CN2CCc3nc4ccc(F)cc4c(=O)n3CC2)c1OC 19568082 OZXRNTPSNMBKLJ-UHFFFAOYSA-N 383.423 2.611 0 40 GFAB CN(C)CCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 19583058 YFDYDMIZVRNLQX-QGZVFWFLSA-N 384.528 2.674 0 40 GFAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc3ncn(C)c3c2)CC1=O 19715171 DZROBJXRSVCJNA-AWEZNQCLSA-N 378.432 2.882 0 40 GFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN(C(C)=O)C3)nc21 19744502 WDBVFTOOJLQBSC-QGZVFWFLSA-N 394.475 2.609 0 40 GFAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1N1CCCC1=O 20111731 XLDTWXRXTKZCIX-CQSZACIVSA-N 386.473 2.962 0 40 GFAB CSc1nc(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n1C 20591724 FHMNRHYMSHLOSW-AWEZNQCLSA-N 376.869 2.578 0 40 GFAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc(Br)c1 21128603 CAUPIALIZLQXFO-UHFFFAOYSA-N 382.283 2.990 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(F)c(C)c1 22976451 GLYLLBWRANJUAS-IBGZPJMESA-N 390.480 2.527 0 40 GFAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCN(c4ccccc4)CC3)ccc12 25194725 UVUCNMDDMARGTG-LJQANCHMSA-N 394.471 2.663 0 40 GFAB CCOC(=O)C1=C(CN(Cc2ccco2)C2CC2)NC(=O)N[C@H]1c1ccco1 26928649 INYVZSTVVWWIRL-SFHVURJKSA-N 385.420 2.708 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)OCCCc1ccncc1 36396227 YVSFZBPMLHNXOA-UHFFFAOYSA-N 388.489 2.964 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 36873834 CBXBWFWSGQQPFO-CQSZACIVSA-N 381.407 2.944 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1CN1CCCC1=O 40069463 ODACXOQONSSTIY-CSKARUKUSA-N 378.428 2.867 0 40 GFAB Cc1c(NC(=O)N2CCN(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C 43122619 UAHZLEQODJHCEC-UHFFFAOYSA-N 391.475 2.839 0 40 GFAB Cc1nc(C)c(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)s1 44451266 BYDRYOYMXKAHTD-UHFFFAOYSA-N 381.504 2.954 0 40 GFAB COc1ccc([C@H](C)NC(=O)CSc2ccc(-n3cnc(C)c3)nn2)cc1 49401181 LHAOFQOXOLYMDB-AWEZNQCLSA-N 383.477 2.949 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 52635614 QSJMVXCHNOYJIR-LBPRGKRZSA-N 379.819 2.857 0 40 GFAB C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 55698625 SAWRSOBAKSHWHN-SECBINFHSA-N 391.399 2.687 0 40 GFAB O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccnc1 58193631 RFPYXFIKMYITQP-KRWDZBQOSA-N 379.382 2.904 0 40 GFAB COCCN1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 58393326 PWWOSUYPEXPBDM-LBPRGKRZSA-N 375.296 2.988 0 40 GFAB CCOC(=O)c1nnsc1NC(=O)c1cc(Br)cnc1Cl 60364953 USKVXEDNQVBYPN-UHFFFAOYSA-N 391.634 2.778 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cccc(OC)c2)cc1 67198510 OYPCKBYXYSLJST-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB COC(=O)c1ccc(Cn2nc(Br)nc2Br)cc1 67799617 XOWFZEFKPISAEI-UHFFFAOYSA-N 375.020 2.638 0 40 GFAB O=C(NS(=O)(=O)N1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 72015986 LPEMEGQOFQSSCV-CHWSQXEVSA-N 376.400 2.656 0 40 GFAB CNc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2c1CCN(C)C2 72372212 DIZOZCUXPHVCFG-UHFFFAOYSA-N 397.498 2.594 0 40 GFAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 72384314 HOLTVJGKHZKCFW-OAHLLOKOSA-N 378.436 2.726 0 40 GFAB COc1ccc(-n2nnc(C(=O)Nc3ccc(Br)cc3C)n2)cc1 77100313 WXJFLYMELXYPHV-UHFFFAOYSA-N 388.225 2.994 0 40 GFAB CC(=O)[C@@H]1CC(C(=O)N(C)Cc2c(C)nc3sccn23)=NN1c1ccccc1 78752360 RLDJMYJVBWWATG-KRWDZBQOSA-N 395.488 2.887 0 40 GFAB O=C1CCC(c2ccc(Cl)cc2)=NN1CN1CCN(c2ccccn2)CC1 79488748 NRBYMLWCFNZPDV-UHFFFAOYSA-N 383.883 2.841 0 40 GFAB CC(C)S(=O)(=O)CCCN1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 84622129 LJWZICNXFUYROD-SFHVURJKSA-N 380.554 2.538 0 40 GFAB CCOC(=O)[C@@]1(C)CCN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)C1 89978205 PTPOOFHOSVCPFR-NRFANRHFSA-N 385.464 2.588 0 40 GFAB O=C(NC1CC1)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 96242639 GBGLSOMZALPNKZ-UHFFFAOYSA-N 381.455 2.842 0 40 GFAB CCOc1ccc(CN2[C@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cc1 100146436 QBOVMFLRKMEFAI-PMACEKPBSA-N 397.519 2.899 0 40 GFAB Cc1nc2[nH]cc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)c(=O)n2n1 100770990 YMKNWOFSSKMXDF-SNVBAGLBSA-N 386.481 2.586 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(C)cc2)cc1 100773630 PMGMAXXAGFTQNO-ACRUOGEOSA-N 391.471 2.929 0 40 GFAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3cc(Cl)ccc3N1[C@@H]2C(=O)c1cccs1 101490301 RRKMLLGXBGFJBG-MIGQKNRLSA-N 384.844 2.757 0 40 GFAB CCOC(=O)C[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 102305397 QAILPQJSBBLECY-MRXNPFEDSA-N 380.379 2.989 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 104673198 PZPJXICRSYQOCH-QAETUUGQSA-N 397.475 2.857 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470087 KRBUNADCVSLEHO-ZDUSSCGKSA-N 380.441 2.936 0 40 GFAB Cc1cccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 223616544 BHELZKCNOVVLAQ-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 223829050 UVGJFHUAKCTQSJ-UHFFFAOYSA-N 383.809 2.699 0 40 GFAB O=C(NCC1CCN(c2cccnc2)CC1)c1cncc(Br)c1 225655107 ZMGIFHWBSPWZKL-UHFFFAOYSA-N 375.270 2.886 0 40 GFAB COC(=O)CSc1nnc(NC(=O)COc2ccccc2C(C)C)s1 225798802 SFABKEKPFXYTPF-UHFFFAOYSA-N 381.479 2.944 0 40 GFAB CCOc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225956184 CVDRWCADGSSRKY-KRWDZBQOSA-N 392.477 2.713 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@]12CCCO2 257284683 PDUKEHYXRBOHBE-NVXWUHKLSA-N 383.286 2.658 0 40 GFAB COCCOCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257306619 SVBJKUNTIGWGOM-INIZCTEOSA-N 376.428 2.774 0 40 GFAB COCC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 257309023 TZGABZRILUHGOW-DZKIICNBSA-N 381.542 2.916 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 257315593 VCBSPWAIDBFLGL-UHFFFAOYSA-N 380.452 2.810 0 40 GFAB C[C@]12CCN(C(=O)CN)[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 257340489 ZGJLGDKEVRFCGV-LPHOPBHVSA-N 397.441 2.926 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccco2)cc1 408705461 GKWYHJCCTWPWRX-UHFFFAOYSA-N 382.507 2.729 0 40 GFAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)CC1 409381666 IGCUULRSOPZVHL-UHFFFAOYSA-N 388.917 2.664 0 40 GFAB Cc1cnc2c(S(=O)(=O)N3CCN(Cc4ccnc(C)c4)CC3)cccc2c1 527532990 IWTVEWOBTKSNPS-UHFFFAOYSA-N 396.516 2.753 0 40 GFAB CCOc1ccc2cc(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)[nH]c2c1 552381748 IPSGCVMMUHGGOH-INIZCTEOSA-N 385.386 2.560 0 40 GFAB C[C@@H]1CN(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC[S@](=O)C1 570801600 PEWVAROKZSPYAZ-RPHGYIDUSA-N 390.490 3.184 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cc2ccccc2o1 575621758 SYWIGHQKFREJCQ-KRWDZBQOSA-N 386.473 2.949 0 40 GFAB CC(C)[C@H](NC(=O)N1CC=C(c2ccnn2C)CC1)c1nnc2ccccn12 583221029 QFRULQMPKNNBHF-SFHVURJKSA-N 379.468 2.659 0 40 GFAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585292203 YIVQMGAHJVMJDH-NHZBNJEXSA-N 395.492 2.748 0 40 GFAB Cc1ncc(CNC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)o1 628299353 MTTJWZPAXFTEHE-CQSZACIVSA-N 377.510 2.702 0 40 GFAB Cn1nc([C@@H]2CCCO2)cc1NC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 654053984 AHXXTEWMKUESDY-WCFLWFBJSA-N 376.379 2.893 0 40 GFAB O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCOc2cc(Br)ccc2C1 664718932 LOOBBWVFBKCEJC-IUODEOHRSA-N 383.286 2.904 0 40 GFAB CCC1(CC)CCC(NC(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)CC1 664737213 RWUHHVURZYKEFE-OALUTQOASA-N 391.560 2.840 0 40 GFAB O=S(=O)(c1ccccc1Br)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 820318050 SSVOLXMFICPXLZ-RYUDHWBXSA-N 397.298 2.597 0 40 GFAB O=C(CCc1cccnc1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615154294 FSIYLOTXLOCPBM-JOCHJYFZSA-N 397.450 2.578 0 40 GFAB O=C([C@H]1COc2ccccc2C1)N1CCC(COc2ccc3nccn3n2)CC1 1888908451 XXEKFGGBGBZADQ-GOSISDBHSA-N 392.459 2.598 0 40 GFAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2O1 2055718357 HLYWAKCWAUUSPN-CCKFTAQKSA-N 376.403 2.854 0 40 GFAB CSc1nc(Oc2ccc(C)c(C)c2)cc(-n2nc(C)c(C(N)=O)c2N)n1 632659 JWPRQTQAZZDTLC-UHFFFAOYSA-N 384.465 2.783 0 40 GFAB CCOc1cc(C(OC(C)=O)OC(C)=O)c(Br)cc1OC(C)=O 647731 CSJYSIXFTYIDMF-UHFFFAOYSA-N 389.198 2.898 0 40 GFAB COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3nnnn32)cc1 723866 YYCCPECYUNQRGH-GOSISDBHSA-N 377.404 2.714 0 40 GFAB CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 779427 SIMZLDIVCKTODD-AWEZNQCLSA-N 375.494 2.536 0 40 GFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 993306 CPPHUZLCYDUBSZ-KRWDZBQOSA-N 395.411 2.642 0 40 GFAB NC(=O)COc1c(Br)cc(Br)cc1Br 1630932 ZDDUMWPZCUGDOR-UHFFFAOYSA-N 387.853 2.838 0 40 GFAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c1 2466765 WUPRHTMFFXSEMR-UHFFFAOYSA-N 397.500 2.890 0 40 GFAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C 2629946 JTYFUNWYLQZNBQ-CGSMKXTHSA-N 389.496 2.996 0 40 GFAB Cc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 4250742 TYCCLRQELMNTSP-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 4393490 XLPZJACLOSZOET-CVEARBPZSA-N 392.864 2.961 0 40 GFAB CCOc1ccccc1N1C(=O)NC(=O)[C@H](Cc2ccc(OC)cc2OC)C1=O 4602955 QJWBEFSEOMNVBH-HNNXBMFYSA-N 398.415 2.544 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O 4787497 SXFHHSLVJZYQRR-NRFANRHFSA-N 391.383 2.547 0 40 GFAB COCCn1c(CCc2ccccc2)nnc1SCC(=O)NCC(C)C 6326359 LWQBYLUURQCMRL-UHFFFAOYSA-N 376.526 2.574 0 40 GFAB COc1cccc(CNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 6876387 UNGQKYINZBJRIW-UHFFFAOYSA-N 396.399 2.912 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 7054498 RATXADICBWJWSI-UHFFFAOYSA-N 388.536 2.970 0 40 GFAB O=C(Nc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1)c1ccccc1 7736534 XQAVIZZDCNKBCH-UHFFFAOYSA-N 385.470 2.986 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)CSc3ccc4c(c3)OCCO4)cc2NC1=O 8014569 VOAXQPDESLSRND-NSHDSACASA-N 386.429 2.908 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 8036403 MLIHYOZSJDPNBK-NVXWUHKLSA-N 396.443 2.787 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccco1 8180803 ZYYAFCRMBODRID-UHFFFAOYSA-N 376.478 2.703 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 8188461 WUKFSLFZCITXGH-INIZCTEOSA-N 392.452 2.935 0 40 GFAB CN1C(=O)Cc2cc(C3=NN=C(NCc4ccc5c(c4)OCO5)SC3)ccc21 8316628 OYEWRFFHUIXDNO-UHFFFAOYSA-N 394.456 2.531 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c1 8917673 BYEWYLUEBDZWLE-SFHVURJKSA-N 391.464 2.729 0 40 GFAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCCN1CCCC1 9113521 SXFYHRAKSDQRLO-UHFFFAOYSA-N 396.516 2.727 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9114755 UFCZQNQCGKOTSE-UHFFFAOYSA-N 385.420 2.531 0 40 GFAB CCCn1nc(C(=O)NC[C@@H]2COc3ccccc3C2)c2ccccc2c1=O 9455568 HDPZIHZMIGAQFW-OAHLLOKOSA-N 377.444 2.788 0 40 GFAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 10214573 KWBAACOIHINLRE-UHFFFAOYSA-N 385.427 2.789 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccn2)cc1 11710351 ALAFGOULXOTVLV-ZDUSSCGKSA-N 379.507 2.888 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752026 OHLGOQUJHZPCQC-UHFFFAOYSA-N 383.429 2.744 0 40 GFAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCCCOC(C)C)n2)c1 12220257 IKMGAAPKWZQLOM-ZWKOTPCHSA-N 386.496 2.888 0 40 GFAB Cc1cc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)ccc1Br 12544944 AXHAAPNLOAGNTH-CYBMUJFWSA-N 388.265 2.822 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 12622195 JWMCFZXFDFHSRE-UHFFFAOYSA-N 379.488 2.912 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4)nc3)CC2=O)c1 12986562 UUJGPTGYPVFFBJ-OAHLLOKOSA-N 380.448 2.682 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13001553 WHMPUIOEDGLTSQ-SFHVURJKSA-N 381.428 2.990 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 13042439 YYOIELIPGLZBAS-UHFFFAOYSA-N 388.489 2.880 0 40 GFAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCCCC2)on1)N1CCCCC1 15673818 IRZHOLWDQPETRL-OALUTQOASA-N 388.556 2.831 0 40 GFAB biogenic,in-vitro CCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2)c(=O)cc1OC 15881261 XUCZOGYJHGTZDM-UHFFFAOYSA-N 393.399 2.670 0 40 GFAB COC(=O)c1c(NC(=O)CCn2cnc3ccccc3c2=O)sc(C)c1C 16467806 WRPYNYAOZKVQCD-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc1 17364464 QSYLIGLHFZLMAV-UHFFFAOYSA-N 376.416 2.903 0 40 GFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc([S@](C)=O)cc3)n2)cc1 18456789 VZSCQCHWUCYZDW-MUUNZHRXSA-N 397.460 2.600 0 40 GFAB CC(=O)OCc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1 19129286 ZSTMKSHISULAOV-HNNXBMFYSA-N 383.452 2.656 0 40 GFAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)c1ccnn1C)cn2C 19287139 PLKVFZHUPQMKFG-UHFFFAOYSA-N 390.447 2.616 0 40 GFAB CCN[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C2(CCCCC2)C1 19703982 ASQDBEQYXNWZET-HNNXBMFYSA-N 380.510 2.533 0 40 GFAB COCc1c(C(=O)Nc2ccc(C(N)=O)c(N3CCC(C)CC3)c2)noc1C 19718597 VRMRCEIVJVGWAG-UHFFFAOYSA-N 386.452 2.717 0 40 GFAB CCn1c(=O)n(CC)c2cc(-c3cncn3[C@@H](C)CN3CCOCC3)ccc21 19719640 BELQRQVEGHQADC-INIZCTEOSA-N 383.496 2.600 0 40 GFAB COc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)cc1 19901931 GSIPRFBBVIJZOQ-JOCHJYFZSA-N 398.503 2.881 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 20020855 DHCIRHAMSSIWRD-UHFFFAOYSA-N 394.468 2.599 0 40 GFAB O=C(NCc1ccccc1Cl)c1nc(COc2ccc3c(c2)OCO3)no1 20720320 COPQJVXWIYZVLW-UHFFFAOYSA-N 387.779 2.961 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCCN(c2ncccn2)CC1 20721080 JVVRMSSCGWZCHG-QGZVFWFLSA-N 385.855 2.949 0 40 GFAB COc1ccc(CC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OC 21876669 QLBYHMZRCZIWHY-UHFFFAOYSA-N 382.460 2.798 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 22326315 IPHRQKPKHJAORJ-UHFFFAOYSA-N 376.478 2.556 0 40 GFAB CN(CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C(=O)c1ccco1 22529950 OPWZIKBPIAEVNE-UHFFFAOYSA-N 399.428 2.885 0 40 GFAB O=C(NC1=NCCS1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 23028008 ZKKSZAKGFGKJKF-UHFFFAOYSA-N 395.893 2.973 0 40 GFAB CNC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 23180984 HUIOPWZTJWTTJB-UHFFFAOYSA-N 384.480 2.777 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(NC(=O)c3ccco3)c1)CS2 23200751 YTFBOMSGZLWZNY-KUHUBIRLSA-N 385.445 2.924 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(OC)c1 23270467 MEBSSAAWVXKCNJ-UHFFFAOYSA-N 379.416 2.850 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1Cn1nc(-c2cccs2)n(C2CC2)c1=S 25059662 CGATWOBAVKXYPP-ZDUSSCGKSA-N 377.539 2.988 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3c(F)cccc3F)CC2)cc1 25919644 KSDGPXBVKFCTBA-UHFFFAOYSA-N 394.443 2.810 0 40 GFAB O=C(CN1CCN(Cc2csc(-c3ccsc3)n2)CC1)N1CCCC1 28722679 YYKZUMKYHCUJNQ-UHFFFAOYSA-N 376.551 2.612 0 40 GFAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1=O 32636523 JYVFPMMITZFEHC-OAHLLOKOSA-N 375.759 2.600 0 40 GFAB CCn1c(CNC(=O)c2cccc(NS(=O)(=O)CC)c2)nc2ccccc21 32753150 LWSWSZBVWSIKSH-UHFFFAOYSA-N 386.477 2.748 0 40 GFAB CC[C@H](OC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)OC 32855760 PHGCWYOAJMIKMW-INIZCTEOSA-N 377.418 2.596 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32906375 QZBPNRGBAYLMPP-SFHVURJKSA-N 395.484 2.515 0 40 GFAB Cc1nn(Cc2cc(C(=O)NCc3ccncc3)on2)c(C)c1Br 35316317 DLCMZECOBNXIFZ-UHFFFAOYSA-N 390.241 2.624 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)no1 35596898 LUBOGXLPRPSEBH-CYBMUJFWSA-N 382.376 2.782 0 40 GFAB O=C(O)[C@H](CO)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 35648737 FAVXXQQKKIFHPZ-YNYSXPKMSA-N 378.258 2.640 0 40 GFAB CCCCc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 36022766 AKRYPXNXBPYMPZ-UHFFFAOYSA-N 384.480 2.722 0 40 GFAB COC(=O)c1ccc(Cn2nc(-c3cnn(C)c3C)cc2-c2cnn(C)c2C)o1 36611549 MQHKMGKGYYBMOQ-UHFFFAOYSA-N 394.435 2.729 0 40 GFAB CCn1ccc(-c2cc(C(=O)NCCCn3ccc(C)n3)c3c(C)noc3n2)n1 36618009 FNYLYKRSAWNTIG-UHFFFAOYSA-N 393.451 2.740 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 36660133 BUODTHRTDPOUKR-UHFFFAOYSA-N 379.416 2.647 0 40 GFAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 40113201 DOUISUZXZPCCPF-HNAYVOBHSA-N 394.537 2.700 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)N1CCOCC1 40267513 DFXQXEFSDYGHDF-UHFFFAOYSA-N 394.475 2.513 0 40 GFAB COC(=O)C1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 44508775 LERJSHAJFFLCNJ-UHFFFAOYSA-N 390.661 2.893 0 40 GFAB COc1cccc2c(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c[nH]c12 44922066 BBGOZTVKERUMCB-UHFFFAOYSA-N 381.407 2.638 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)NCCOc2ccc3c(c2)OCO3)c1 48154258 MJEGNEWGTVELMB-CYBMUJFWSA-N 388.420 2.872 0 40 GFAB CCCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 48286950 HQTYHJZCYUDOSX-HXUWFJFHSA-N 385.552 2.900 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1F 56062696 APDYXXUCSVQFHZ-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@@]1(C)CCS(=O)(=O)C1)CO3 57134876 RLWWAMQYVGNPQH-SFHVURJKSA-N 397.880 2.792 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(Cl)c1 57750259 YXOTTZOLSYPGBZ-MRXNPFEDSA-N 396.896 2.692 0 40 GFAB CC1CCN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 58420730 BKEBBXUBUIEOHE-MRXNPFEDSA-N 380.483 2.822 0 40 GFAB Cc1cccc(C)c1OC1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 58427238 MNFXZRUTHLNDRO-UHFFFAOYSA-N 385.489 2.649 0 40 GFAB COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C(=O)OC)cc1 59227903 VQZTZELZCGRKQN-GOSISDBHSA-N 390.399 2.664 0 40 GFAB COCCNC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1C 61717645 WURNTKYKPUKXEF-UHFFFAOYSA-N 385.247 2.647 0 40 GFAB CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C 67665348 KOVMAAYRBJCASY-ONSCTEFMSA-N 398.503 2.551 0 40 GFAB in-vitro O=S(=O)(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 72312999 ZXCVTFAKPQDEIN-UHFFFAOYSA-N 395.487 2.745 0 40 GFAB Cc1nc2c(c(Nc3ccccn3)n1)CN(S(=O)(=O)c1ccccc1)CC2 72380799 NOVIALSJYPGDCN-UHFFFAOYSA-N 381.461 2.671 0 40 GFAB O=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 72398939 IWXHIMCDWDNSMU-UHFFFAOYSA-N 398.532 2.506 0 40 GFAB COCc1nc2ncc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3n2n1 72452303 OULPCSPKAOTRAH-UHFFFAOYSA-N 376.203 2.882 0 40 GFAB C[C@H]1CN([C@@H](CNS(=O)(=O)CCCF)c2c(F)cccc2Cl)CCO1 78967672 ASGPQCMAPIWDAO-WFASDCNBSA-N 396.887 2.520 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(O)c(OC)c1 79473995 VZMQLFBBORJNIJ-QGZVFWFLSA-N 391.449 2.893 0 40 GFAB Cn1nnc(-c2cccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)c2)n1 79484632 PTXRZWWEFUUHBP-UHFFFAOYSA-N 377.326 2.957 0 40 GFAB C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(NC(N)=O)cc1 89920286 WRUOVZFVGLVHJN-QWHCGFSZSA-N 376.457 2.553 0 40 GFAB COCCn1ccc2c(NC(=O)c3ccccc3-n3nnnc3C)cccc21 95474566 DNBCEPOKKUBJDU-UHFFFAOYSA-N 376.420 2.824 0 40 GFAB O=C(O)c1c(F)c(Br)nc(I)c1Cl 95611714 HLTSIDIDXAFDCO-UHFFFAOYSA-N 380.338 2.939 0 40 GFAB O=C(c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12)N1CCCCO1 96037973 NKGUCBMRCMPTBT-UHFFFAOYSA-N 380.433 2.811 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCc3nn(C)c4c3CCCC4)CC2=O)cc1C 96099154 WTYWMZUZIHQZTI-INIZCTEOSA-N 380.492 2.585 0 40 GFAB CN1CCN(c2c(NCCC(c3ccccc3)c3ccccc3)c(=O)c2=O)CC1 101675633 ZGGSQSHPILLGJW-UHFFFAOYSA-N 389.499 2.669 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl 102014908 XMIXAOQJFLRXRZ-AJNGGQMLSA-N 392.242 2.905 0 40 GFAB O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 103519943 PDXVZOZPMHGWND-UKRRQHHQSA-N 389.180 2.881 0 40 GFAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c[nH]c12 106710925 KXBLSDHFGRUDRZ-YBEGLDIGSA-N 399.472 2.625 0 40 GFAB Cn1cccc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 107812689 VLTWUSMNVJJBGO-BOPFTXTBSA-N 381.457 2.646 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220296088 CUCWWIOVWOOCCB-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB COc1cccc(-c2noc(CNC(=O)CCc3ccc4c(c3)OCCO4)n2)c1 222646679 ANDIWGJEZLHFDU-UHFFFAOYSA-N 395.415 2.765 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC[C@@H]2CCCO2)cc1 223643679 KRTSZWBXWDPOJW-JIHKLPAASA-N 386.473 2.823 0 40 GFAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1cc(C(C)C)no1 257244622 IMCSPVRMCMKCAU-SKBHOOIQSA-N 391.512 2.849 0 40 GFAB CC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 257262673 LMIQSFWPUGEMCD-SFHVURJKSA-N 398.482 2.817 0 40 GFAB CCOc1cc(NC2CCN(C(=O)[C@](C)(O)CCc3ccccc3)CC2)ncn1 513820489 QHSGYMPTMATEOL-JOCHJYFZSA-N 398.507 2.662 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)NCC3(C)Cc4ccccc4C3)CC2=O)cc1 539905422 RKMZNGMJGCEEBU-SFHVURJKSA-N 378.472 2.969 0 40 GFAB O=C(N[C@H]1C[C@H](C(=O)O)C1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 570698924 LJEUUBXFWRUJDS-LERXQTSPSA-N 385.247 2.577 0 40 GFAB Cc1nccc(O[C@@H]2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)n1 575611693 GCSWIRFEAYVIDF-MRXNPFEDSA-N 383.448 2.557 0 40 GFAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnc2c(c1)c(C(C)(C)C)nn2C 585083965 CLMMLJVFOQDFDO-AWEZNQCLSA-N 387.484 2.617 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)n1 585147408 WQWBVRYJQZSWJJ-HXUWFJFHSA-N 396.491 2.614 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CC[C@@H]1C(=O)O 626751657 VCVAIDFOXQTQAU-KDOFPFPSSA-N 396.447 2.586 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c1C(F)F 668145626 INWMFYHALSNARA-BXUZGUMPSA-N 385.436 2.817 0 40 GFAB O=S(=O)(NCC(c1ccco1)c1ccco1)c1cccc2nsnc12 675007682 HDYDUGGIIVAMFR-UHFFFAOYSA-N 375.431 2.988 0 40 GFAB Cc1ncnc(OC[C@@]23CCC[C@H]2CN(c2ccc4nnc(C)n4n2)C3)c1C 1888906488 RICTYMDCQNOPRB-JXFKEZNVSA-N 379.468 2.525 0 40 GFAB CC(C)c1noc(CN2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1 2298049973 DLVNSWOWMREMPN-UHFFFAOYSA-N 386.500 2.895 0 40 GFAB O=C(CN(Cc1ccco1)S(=O)(=O)N1CCCCCC1)Nc1ccccc1 22413110 QGOAINBOKOQSPT-UHFFFAOYSA-N 391.493 2.841 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)NCc1ccco1 905375 AQHNJUGASQDVGM-CQSZACIVSA-N 388.449 2.719 0 40 GFAB COC[C@@](C)(CC(=O)OC)NCc1ccc(OC)c(OC)c1Br 79023311 JCBOOXFUKLFXBA-MRXNPFEDSA-N 390.274 2.524 0 40 GFAB CCOC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 12536340 XROIKTWZGDBMJC-UHFFFAOYSA-N 376.434 2.835 0 40 GFAB CC[C@H](C)[C@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 2151799 GQEDXGPXHWISOL-VOJFVSQTSA-N 375.421 2.713 0 40 GFAB biogenic CN(C)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 894999 QSYWGERSDBBWQA-GOSISDBHSA-N 389.249 2.928 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCC1(N2CCCCC2)CCCCC1 12594118 IHBHBUJLZSRWBG-UHFFFAOYSA-N 398.555 2.979 0 40 GFAB Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)[nH]c2c1C(=O)CCC2 23561431 XSSBBGCMOGJUSF-SFHVURJKSA-N 399.466 2.785 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1 6681293 ASSXSKRGILZHPP-UHFFFAOYSA-N 381.410 2.953 0 40 GFAB COCCNC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc(OC)cc3)nc21 9100636 HYVZORBWDXHLKV-CQSZACIVSA-N 389.477 2.587 0 40 GFAB O=C1NC(=O)[C@H]2[C@H]1[C@H]1C=Cc3cc(F)ccc3N1[C@H]2C(=O)c1ccccc1Cl 9422349 NVPOKVXVPBYCIS-ZJPYXAASSA-N 396.805 2.835 0 40 GFAB CN1CCN(S(=O)(=O)c2ccc(SCCCc3ccccc3)nc2)CC1 35271405 WEHJBTJATAQZOW-UHFFFAOYSA-N 391.562 2.743 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCc1nnc2ccccn12 48235141 OFEDUFACCBADCV-UHFFFAOYSA-N 392.438 2.572 0 40 GFAB CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCc2ccccc2Cl)CC1 58324435 RZKJOXQDSFDWOA-UHFFFAOYSA-N 394.899 2.533 0 40 GFAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H]1CCCc2c1cnn2C 48333090 PLSCGBSJBARPFV-QGZVFWFLSA-N 385.464 2.984 0 40 GFAB CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 48356208 LENQXIKQTURFME-KRWDZBQOSA-N 382.464 2.623 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1 25240274 MORUNSAXYRXDDJ-UHFFFAOYSA-N 397.460 2.522 0 40 GFAB Cc1cc(=O)n2nc(CN(Cc3cccs3)C[C@H]3CCCO3)sc2n1 12814136 QDWUPQFOEIZHOM-CYBMUJFWSA-N 376.507 2.702 0 40 GFAB CCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc(C(N)=O)c1C 2738348 ZRNHMMSJJURPBB-UHFFFAOYSA-N 392.433 2.602 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)cc1 3560755 UXWPRILENWVYDW-UHFFFAOYSA-N 391.445 2.723 0 40 GFAB CCCCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@@H](C)CC 13096453 RQQNGKVQUFKKBR-YCRPNKLZSA-N 387.480 2.643 0 40 GFAB COc1ccc(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)cc1 13108896 MJNDCAXUANZITC-UHFFFAOYSA-N 382.445 2.759 0 40 GFAB COC(=O)c1c(CC(=O)N(C)CCOc2ccccc2F)[nH]c(C(C)=O)c1C 39998488 VIEOTDCSFOSJSB-UHFFFAOYSA-N 390.411 2.531 0 40 GFAB CCCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 14110954 MQSSDJDXBBVOKJ-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CCC[C@H](C)NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 6593634 TXSHXXJTYJTAJS-WMLDXEAASA-N 388.464 2.545 0 40 GFAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 6650724 VUOQLTLYJWQDNC-SFHVURJKSA-N 391.880 2.875 0 40 GFAB CCc1onc(C)c1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 6602445 CFLNLXWCDAKDHQ-UHFFFAOYSA-N 395.481 2.837 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccncc3)C[C@H]21 306132872 LUYHEHQKHBSJSK-TZIWHRDSSA-N 377.469 2.899 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccccc1 5681088 JFOXJCWBTGJMRY-RBZFPXEDSA-N 383.473 2.709 0 40 GFAB Cc1ccc(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c1 408987472 QGQARKMRKKYCKF-OAQYLSRUSA-N 399.450 2.978 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3)c(Cl)c2)C1=O 15858312 XBXOFAZXAWNYIP-LBPRGKRZSA-N 392.864 2.583 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCO2)c1 7989341 BAHJHGDRWLESCA-GOSISDBHSA-N 390.461 2.922 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(N2CCCC2=O)c1 8191249 ZORILRFVKGGDCX-UHFFFAOYSA-N 393.487 2.922 0 40 GFAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCC(N)=O 8113063 UORZCUPUPOFCJM-UHFFFAOYSA-N 378.812 2.782 0 40 GFAB Cc1cc(C)cc(N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O)c1 224355733 JZWBUNYMSDDAPG-UHFFFAOYSA-N 384.542 2.781 0 40 GFAB Cn1ncc2c(=O)n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cnc21 8753115 UHTYFTAZKUJLPC-UHFFFAOYSA-N 386.626 2.729 0 40 GFAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1 72082353 VDYWYSQTGOCVEY-UHFFFAOYSA-N 375.494 2.883 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)c(C)c1C 117359978 LQSPMZFUCOTSKA-UHFFFAOYSA-N 388.489 2.917 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CCc1nc2ncc(Br)cc2[nH]1 72405745 AOROYQFGEPEHFS-UHFFFAOYSA-N 377.246 2.642 0 40 GFAB COc1cccc(CNC(=O)CSc2nc3c4ccccc4ncn3n2)c1 95946469 SPBAMCAIWKLWIC-UHFFFAOYSA-N 379.445 2.695 0 40 GFAB CN1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)[C@@H](c2ccccc2)C1 89382528 SNPUBFXCUFIQIA-HXUWFJFHSA-N 378.476 2.594 0 40 GFAB O=C(C[C@H]1OCCc2ccsc21)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 89825826 VTXIGTJACBEWJB-CRAIPNDOSA-N 396.472 2.971 0 40 GFAB COc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1Cl 29600896 VOQCLIXDUVHBGE-UHFFFAOYSA-N 394.836 2.522 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccnc(-n3cccn3)c2)C[C@@H](c2ccccc2)O1 67591818 KZXUPRGRCYMGQR-APWZRJJASA-N 377.448 2.939 0 40 GFAB Cn1cc(CN2CC[C@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)cn1 306128766 HJYNDDQNTHWOHR-FQEVSTJZSA-N 379.489 2.681 0 40 GFAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)c(OC)c1 408647504 JJSYRXVRORQLCH-GOEBONIOSA-N 397.427 2.871 0 40 GFAB COc1ccc2c(c1)CN(Cc1nc(O)c3cc(OC)c(OC)cc3n1)CC2 532489521 KCZSHEIPKOXPGL-UHFFFAOYSA-N 381.432 2.920 0 40 GFAB Cc1cc2oc(C(=O)N3CCN(CCc4ccccn4)CC3)cc(=O)c2cc1C 32594203 KGJSTZBVTWKHQJ-UHFFFAOYSA-N 391.471 2.805 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)NC1CC1 35313777 CNKNNNDZNTVCRL-UHFFFAOYSA-N 379.489 2.954 0 40 GFAB O=C(Nc1nnc(-c2ccc(F)cc2F)o1)c1ccc(N2C(=O)CCC2=O)cc1 38933126 TUGFKAABUDNCRO-UHFFFAOYSA-N 398.325 2.921 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Cn4cccn4)CC3)[nH]n2)c1 62017740 KQRUFDRROOOMLG-UHFFFAOYSA-N 395.463 2.843 0 40 GFAB COCCn1ccc2c(NC(=O)Cn3cnc4ccccc4c3=O)cccc21 72400487 GOJOJRPYRWLLQB-UHFFFAOYSA-N 376.416 2.636 0 40 GFAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O)NC1CC1 72334553 FGWHQXZJQFJTMD-UHFFFAOYSA-N 378.457 2.842 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)N[C@@H]1CCCC[C@H]1C 36416303 HNXODKMWKDVLFE-JKIFEVAISA-N 397.475 2.583 0 40 GFAB COc1ccccc1N1CN(Cc2cccnc2)Cn2c1nc(C)c(C)c2=O 38830076 PWMPBIMUQJYBBU-UHFFFAOYSA-N 377.448 2.833 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1C 222418955 JCWMXAORDGTYTA-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)/C=C/c1cccc(Br)c1 40122703 CQWSKBSQNUYQJO-VOTSOKGWSA-N 393.203 2.941 0 40 GFAB COCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 223410328 AUSTVQJYAFSRSZ-UHFFFAOYSA-N 378.450 2.641 0 40 GFAB O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1cccc2nsnc12 225625282 PFTDWHNXZFNZNI-INIZCTEOSA-N 390.490 2.533 0 40 GFAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223047536 FOKTWEOGOJFVSQ-VXKWHMMOSA-N 380.488 2.942 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(F)cc1F 220094754 BTEPMFJHVMPMKA-KRWDZBQOSA-N 394.443 2.925 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1ccc2[nH]cnc2c1 225794380 OWERBWKOZPMVAQ-UHFFFAOYSA-N 376.464 2.631 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SCC(=O)OC)s1 223734866 HTIBWNARHPJGBG-GFCCVEGCSA-N 397.478 2.608 0 40 GFAB CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OCC)cc1 224583803 QAEAIDIBUJDHNI-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc3C2)cc1 224411980 GWMFFTIRBBWNOY-UHFFFAOYSA-N 390.530 2.614 0 40 GFAB Cn1cccc1-c1noc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 225768371 SDARLSXDRYANPD-UHFFFAOYSA-N 387.248 2.860 0 40 GFAB O=C(CCCNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccccc21 96231022 NKEHTEAGQZQXBO-QGZVFWFLSA-N 377.448 2.662 0 40 GFAB CN(C)C(=O)n1c(C(=O)NCc2ccncc2)cc2c1c1ccccc1n2C 96146298 FNALZZYOYXOZGT-UHFFFAOYSA-N 375.432 2.988 0 40 GFAB CC(C)Cc1n[nH]c(NC(=O)CCCCCn2cnc3ccccc3c2=O)n1 95475269 RXORCBRXZIJILI-UHFFFAOYSA-N 382.468 2.912 0 40 GFAB COC1(c2nc(C3CC3)no2)CCN(C(=O)c2cn(C(C)(C)C)nc2C)CC1 583615943 TXSROVFWBRPADM-UHFFFAOYSA-N 387.484 2.985 0 40 GFAB O=C(NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1cnccn1 90591591 AQDDKDBKLWOPDB-UHFFFAOYSA-N 394.866 2.986 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2c1=O 245228320 QBGATFOBPAMMAA-CKEIUWERSA-N 385.464 2.657 0 40 GFAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(C(=O)c4cccs4)C3)ccnc12 257313152 URFFPOZHUUSVMT-CYBMUJFWSA-N 383.477 2.512 0 40 GFAB COc1ccc(N2C[C@H](C(=O)NCC3(C)Cc4ccccc4C3)CC2=O)cc1 539905421 RKMZNGMJGCEEBU-GOSISDBHSA-N 378.472 2.969 0 40 GFAB N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3coc(-c4c(F)cccc4F)n3)C2)C1 653182739 WRGOYFXBOVXVKN-PBFPGSCMSA-N 391.418 2.978 0 40 GFAB CC(C)(C)n1nnc(CS(=O)(=O)c2ccc(Br)c(Cl)c2)n1 653488961 XSAXVXHXQBMIGO-UHFFFAOYSA-N 393.694 2.818 0 40 GFAB COc1ccccc1CC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390829992 IABCCQKEDUVPSN-IBGZPJMESA-N 391.464 2.765 0 40 GFAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3cccs3)[C@H]3OCC[C@H]32)c1 585109367 MALDEAUCLDYCOJ-IPMKNSEASA-N 384.501 2.911 0 40 GFAB CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cc2cscn2)CC1 585105606 XIHTYHQEDPUUSU-UHFFFAOYSA-N 398.454 2.773 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCCC1)C2 585106828 IYMQJBBMOAHWEE-QFIPXVFZSA-N 380.492 2.957 0 40 GFAB Cc1cc(N2CCN(CC(=O)N(C)Cc3ccccc3)CC2)nc(C(C)C)n1 27544940 UGONAQAKVUBGBD-UHFFFAOYSA-N 381.524 2.689 0 40 GFAB Cc1ccccc1CC(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775986003 OANWCGVKSSCPOX-UHFFFAOYSA-N 379.504 2.912 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)c(OC)c1 53455883 JORJFBFEVNAYAE-OAHLLOKOSA-N 390.386 2.651 0 40 GFAB Cc1nccn1-c1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 53546365 LWDQVYKHOGONEL-HUUCEWRRSA-N 392.463 2.837 0 40 GFAB O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)Nc1ccc(F)c(Cl)c1 187546960 JNDZBJFPDPBJAD-UHFFFAOYSA-N 395.784 2.808 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1F 1615156306 IXBQEBASPDLBOC-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)Nc3cccnc3Cl)C2)cc(OC)c1OC 5030805 ABNCXFPLYORLME-HNNXBMFYSA-N 391.811 2.893 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c(C)c1 5075780 ABWZJLQWMBSWED-UHFFFAOYSA-N 394.518 2.953 0 40 GFAB COc1ccc([C@@H]2c3cc4c(c(OC)c3C[C@@H]3OCC(=O)[C@@H]32)OCO4)cc1OC 5081470 XPWTYDWZZDAXDF-SXLOBPIMSA-N 398.411 2.713 0 40 GFAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCC(=O)N1CCCCC1 12148108 LVADFVSHSPXILY-UHFFFAOYSA-N 382.489 2.894 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NC1(c2ccc3c(c2)OCO3)CCCC1 12155644 XALLOXUSWORLEH-UHFFFAOYSA-N 391.427 2.711 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(F)c1 14162390 MFOKYLRSJVHQQN-OAHLLOKOSA-N 380.375 2.925 0 40 GFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1O 15052777 MSSOFJBBKJGFCD-WJDWOHSUSA-N 390.461 2.840 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(F)cc1 15789875 MGMQVESCBMKARV-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB COc1cc2cc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)[nH]c2cc1OC 15970441 WUVJTPYFDIRIFF-DZGCQCFKSA-N 393.443 2.606 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529756 TUCKQRDULDVKFJ-SUWCGCSTSA-N 396.418 2.598 0 40 GFAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H]3CCCO3)n2)cc1 19557986 VBCGBMKZUWYWMW-OAQYLSRUSA-N 392.459 2.916 0 40 GFAB Cc1nc([C@@H]2CCCCN2C(=O)COc2ccccc2)ncc1C(=O)N(C)C 19754213 GOIJEJYJPXPXCS-SFHVURJKSA-N 382.464 2.619 0 40 GFAB Nc1nc(C2CCN(CCc3ccccc3)CC2)ccc1C(=O)N1CCOCC1 19766026 LJSDRZLUVVAPQF-UHFFFAOYSA-N 394.519 2.558 0 40 GFAB Cc1nccn1CCCC(=O)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12129315 MQNSFTZCHLJKET-UHFFFAOYSA-N 396.451 2.529 0 40 GFAB CC(C)n1cnc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)CC2)c1 244969132 GZSBRUSUJUFXRJ-UHFFFAOYSA-N 384.889 2.745 0 40 GFAB Cc1cc(OCC(=O)NCCn2nc3c(cc2=O)CCCC3)cc(C)c1Cl 575609323 VXPSGQWADNFQPK-UHFFFAOYSA-N 389.883 2.588 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3[C@H]4CC[C@H]3CC(n3nccn3)C4)CC2=O)cc1C 238874078 NPMFUALFZBHLEY-NEWSRXKRSA-N 393.491 2.643 0 40 GFAB O=C(c1cscn1)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840413 MBSRCGJJOXGKQE-IBGZPJMESA-N 389.452 2.711 0 40 GFAB CCOc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 95483546 QBFCOIHPTGJJGR-LJQANCHMSA-N 379.460 2.539 0 40 GFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 862021 UPVIOKLIYHNYPO-UHFFFAOYSA-N 387.457 2.513 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)c(C)n23)n(C)c1=O 4250782 DIVSBDYZULHWID-UHFFFAOYSA-N 379.464 2.782 0 40 GFAB CC1CCN(S(=O)(=O)c2cc3c(=O)nc4sccn4c3cc2Cl)CC1 4708990 WUUMCMVVDAUWMR-UHFFFAOYSA-N 397.909 2.983 0 40 GFAB CSc1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940640 QRMSFVMCZNVJAR-UHFFFAOYSA-N 376.459 2.582 0 40 GFAB O=C(CSc1ccc(-c2ccccn2)nn1)NCc1ccc2c(c1)OCO2 6859353 QMEWQIDUOSZKAH-UHFFFAOYSA-N 380.429 2.676 0 40 GFAB O=C1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)CN1Cc1ccccn1 2055822723 PVBKXBHLPOLJEZ-UHFFFAOYSA-N 399.878 2.769 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C)cc2)C(=O)N1 100893581 ANISBDRBBPAZEJ-KPFFTGBYSA-N 387.457 2.558 0 40 GFAB O=C(CN1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1)NCc1ccccc1 48987325 HBEBCIIWIKMXNQ-UHFFFAOYSA-N 381.863 2.856 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)n1 585147266 LLAXRPBBJGNTLF-DBWMJRBXSA-N 381.432 2.905 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)/C=C/c3ccccc3)nc(C)n2)n1 23144386 NHFFSAFUPTYEML-MDZDMXLPSA-N 376.464 2.829 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)c1 6764428 PHKDZDGCQXIOBV-OZIGNCPNSA-N 378.428 2.817 0 40 GFAB Cc1nc(COc2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2)no1 40033451 YOEIGMNCBJMEQI-IBGZPJMESA-N 380.448 2.990 0 40 GFAB Cc1cccc(NC(=O)CSCC(=O)NCc2ccnc(-n3cccn3)c2)c1 40087289 BBQHLVMZNLMURA-UHFFFAOYSA-N 395.488 2.564 0 40 GFAB COCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2C)cc1 40105274 NGERGUYDFVUSHQ-IZZDOVSWSA-N 388.489 2.880 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N(Cc3cccnc3)C3CC3)CC2=O)cc1OC 30615653 HMKCAODYCBETKV-MRXNPFEDSA-N 395.459 2.643 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H]1OC(=O)c3c1ccc(OC)c3OC)CC2 20760420 GYVFYBOGLNPFRR-HXUWFJFHSA-N 385.416 2.948 0 40 GFAB biogenic COc1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccco3)CC2)c(OC)c1 32744527 VXVZPKJHNZHIKW-UHFFFAOYSA-N 386.448 2.808 0 40 GFAB O=C(C[C@H]1C=CS(=O)(=O)C1)OCc1ccc(C(=O)Nc2ccccc2)cc1 32828948 JQFBKATTXICPAD-MRXNPFEDSA-N 385.441 2.931 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CCCc4c(C(N)=O)cccc43)c2O1 41578299 LUHHKSKCERMJJX-UHFFFAOYSA-N 380.444 2.857 0 40 GFAB COc1cccc(C2=NN(C(=O)c3ccccc3O)[C@](O)(C(F)(F)F)C2)c1 910766 BSJLFAQOHYZLKR-QGZVFWFLSA-N 380.322 2.902 0 40 GFAB COCCN(C(=O)/C=C/c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 2887048 KMJCVFZOVJKMLC-LYKUJDHUSA-N 392.304 2.669 0 40 GFAB CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1ccco1 3220173 LPIRSTPYIDIVMW-UHFFFAOYSA-N 384.417 2.864 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 3307329 GDXOEDVQAMBNMH-LJQANCHMSA-N 390.443 2.886 0 40 GFAB COc1ccc(C2=CC(=C3C(=O)NC(=O)NC3=O)c3cc(C)ccc3O2)cc1 3372789 GRNPWXMFAUWIAB-UHFFFAOYSA-N 376.368 2.557 0 40 GFAB O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4224363 IDSXACBSNSUEEH-UHFFFAOYSA-N 385.420 2.621 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccccc3Cl)c(-c3ccccc3)cn21 4304063 QNZDIWFTVGVHHL-UHFFFAOYSA-N 391.818 2.986 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2cc(C)cc(C)c2)nc(=O)[nH]c1C 4317573 NZQOJWCPECUGFE-UHFFFAOYSA-N 375.450 2.603 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21 4359004 UXCRCBDWUCXCOQ-UHFFFAOYSA-N 391.427 2.767 0 40 GFAB O=C1C[S@](=O)[C@@H](c2ccccc2)C(=O)N1c1ccc(Br)cc1 4408934 OPYZBTONNAVBLW-OYHNWAKOSA-N 378.247 2.812 0 40 GFAB O=C(CCc1ccccc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 4583275 JGUVFXMCNDYBBV-UHFFFAOYSA-N 379.508 2.748 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1cccc(OC)c1 4934915 BIFMUYYAKYUTIA-HXUWFJFHSA-N 393.443 2.539 0 40 GFAB CCc1nnc(NC(=O)[C@@H](C)Sc2nnnn2-c2cccc(C)c2)s1 5033692 OGYGVMQZJUYWTR-SNVBAGLBSA-N 375.483 2.504 0 40 GFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2oc1=O 5295765 MNYVDWDCTBGNRP-GOSISDBHSA-N 390.395 2.788 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2cc(C)n(C)c2C)CC1=O 5786336 IRKURLCZQFJBLW-KRWDZBQOSA-N 382.460 2.983 0 40 GFAB COc1ccc(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1F 7439405 KWGHXXRZUOGNCD-UHFFFAOYSA-N 396.374 2.530 0 40 GFAB CN1C(=O)/C(=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 8091809 FNHCOJRHAOQBAX-WUKNDPDISA-N 378.409 2.952 0 40 GFAB CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1C 8783086 NDXWBRZIBCWEIK-UHFFFAOYSA-N 389.433 2.508 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N[C@H]1CCCc2ccccc21 9588409 LLERFNFPZICZDC-SFHVURJKSA-N 394.500 2.906 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2F)cc1C 10301247 ZNRJOEOHRGWWLC-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB COc1cc(C(=O)NCc2ccc(C)c(F)c2)cc(Cl)c1OCC(N)=O 10496445 ZXGSYLOSHFRZBB-UHFFFAOYSA-N 380.803 2.590 0 40 GFAB CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 11385502 AKPRBTQMBODQDN-UHFFFAOYSA-N 377.853 2.919 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(CS(C)(=O)=O)cc1 12095498 PXFGYGHKKPBMHZ-UHFFFAOYSA-N 376.430 2.799 0 40 GFAB CCOC(=O)C1CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 12184633 ILWJSWGGJXUIAX-UHFFFAOYSA-N 379.420 2.973 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCc4sccc4C3)ccc2N1S(C)(=O)=O 12216109 KQRRKEHPUDAMFY-LBPRGKRZSA-N 376.503 2.657 0 40 GFAB COc1ccccc1/C=C\CN1CC[C@H](c2cc(O)nc(N3CCOCC3)n2)C1 12365921 QLPVJGLMQLAYKJ-SUZKBHRPSA-N 396.491 2.530 0 40 GFAB O=C(OCc1cccnc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 12517280 WSEDTILJODUJPU-UHFFFAOYSA-N 378.425 2.752 0 40 GFAB NC(=O)CSc1ccccc1NCC(=O)Nc1ccc(OC(F)F)cc1 12522253 OGEMRBSGSCSYBP-UHFFFAOYSA-N 381.404 2.916 0 40 GFAB CN(C)C(=O)[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 12907637 YSOLLABUMFQLLB-WIYYLYMNSA-N 396.468 2.988 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 12910550 BCYOZANJQTZOAT-UHFFFAOYSA-N 387.867 2.832 0 40 GFAB CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 13122427 WKNLRMNROLNHDJ-JKSUJKDBSA-N 387.440 2.935 0 40 GFAB CC[C@H](C)[C@@H](CO)NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 13719011 GMDDGPQTZAVEHI-SWLSCSKDSA-N 378.494 2.893 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 13811698 HULVVUHIKNJHDZ-UHFFFAOYSA-N 387.871 2.748 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1ccc(Cl)cc1 14274211 FLDHWNUQHLAFIU-CXAGYDPISA-N 385.851 2.680 0 40 GFAB Cc1ccc(/C=N/N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)o1 16042688 HAKSUYITDNRWNB-TYLRVVQJSA-N 390.443 2.934 0 40 GFAB CCCNC(=O)CN(C)CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 16380296 JDBOASUDEYISCH-LJQANCHMSA-N 381.476 2.611 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2)cc1 16691825 SVMSDSUXBUXQGN-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB COCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 19212384 QXZIEBHMQSILLQ-QHCPKHFHSA-N 380.488 2.945 0 40 GFAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19501892 CFTKGYMFAFACMO-WOJBJXKFSA-N 384.528 2.511 0 40 GFAB COCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)N(C)C)C1 19579980 QNKUZGYSBMBUPX-QHCPKHFHSA-N 398.478 2.989 0 40 GFAB CN(C)CC(=O)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693375 RDYKPHDLPAXWOU-HNNXBMFYSA-N 394.397 2.624 0 40 GFAB O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccc2c(c1)ncn2C1CC1 19714295 KDMLQMSFENEENM-OAQYLSRUSA-N 391.475 2.570 0 40 GFAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)ncc1C(=O)N(C)C 19754248 WOMQKGWXXUYLTC-SFHVURJKSA-N 384.455 2.922 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)ncc1C(=O)N1CCCCC1 19766400 SENVLUFOTLYIGO-SFHVURJKSA-N 393.491 2.826 0 40 GFAB Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)n1 22690731 PDUGYACZOQYHDJ-GFCCVEGCSA-N 385.536 2.861 0 40 GFAB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23107311 LOAJVKOYUDTDIX-FQEVSTJZSA-N 399.466 2.516 0 40 GFAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 24084151 YJPZRWDRDBHTNJ-KRWDZBQOSA-N 380.492 2.790 0 40 GFAB C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 25061387 VZBOZNJKKNHOKD-GFCCVEGCSA-N 395.431 2.944 0 40 GFAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1 25067323 XTXGWWIOIHSWAR-BLLLJJGKSA-N 388.295 2.852 0 40 GFAB COc1ccccc1[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)N1CCCC1 27570059 MIWLMMWCANTFFK-SFHVURJKSA-N 395.459 2.556 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1 27916722 GERIICDQTITGEV-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB COc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(OC)c1OC 28735830 QRXPYBXQBVVWJY-UHFFFAOYSA-N 396.447 2.775 0 40 GFAB O=C(NCCCC(=O)N1CCC(c2nnc3ccccn23)CC1)c1ccsc1 28736523 FROJSFGSQQJBCB-UHFFFAOYSA-N 397.504 2.707 0 40 GFAB COc1cccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)c1 31817513 QXQSULCBLJHDPZ-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB COc1cccc(-n2cnc3cc(C(=O)NCc4ccco4)ccc3c2=O)c1 32073779 ANXYFKKJFOWVGE-UHFFFAOYSA-N 375.384 2.917 0 40 GFAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1 32679562 UOKZIOJASSIOII-UHFFFAOYSA-N 385.961 2.783 0 40 GFAB COc1ccc(OC)c(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1 32753052 PZSVJUPJCYSICN-UHFFFAOYSA-N 394.435 2.743 0 40 GFAB COC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 32865244 SMUVXTZDPSWELT-CYBMUJFWSA-N 375.446 2.970 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2[nH]c1=O 32876579 WUIJRUGDKUUIIM-UHFFFAOYSA-N 397.456 2.565 0 40 GFAB CCN(CC)C[C@H](O)CNc1nc2nonc2nc1Nc1ccc(Cl)cc1 33627496 XUVHHHSVIHZKRG-CYBMUJFWSA-N 391.863 2.524 0 40 GFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(-c3ccccc3)o1)CC(=O)N2 36358181 UEMPQXDKTFRHDD-AWEZNQCLSA-N 387.399 2.998 0 40 GFAB CCCc1nnsc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 36366206 DDNXHLFQVGPZKO-UHFFFAOYSA-N 382.492 2.756 0 40 GFAB CCn1ncc([C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c1C 36619330 RNGPDQGNFVZINC-NSHDSACASA-N 393.451 2.948 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCCO4)cc2)C[C@H](C)O1 40082124 VONNGVZXNZPUNV-IRXDYDNUSA-N 396.487 2.997 0 40 GFAB COc1ccc(NC(=O)COCCOc2ccccc2)cc1N1CCCC1=O 40134027 WLFVEDCJKCWZJL-UHFFFAOYSA-N 384.432 2.856 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 40146143 QAUYMIJLJSAYSA-UHFFFAOYSA-N 399.472 2.830 0 40 GFAB COc1ccc(CNC(=O)c2nc(COc3cccc(NC(C)=O)c3)no2)cc1 40284573 ZPOMFKSMKJVFOI-UHFFFAOYSA-N 396.403 2.546 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(F)c(C)c2)cc1 43840261 PKKKFJYFBVEUBQ-UHFFFAOYSA-N 381.429 2.638 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)N1CCC[C@H]1Cc1ccccc1 45967880 OROXQQINFHHLEI-FQEVSTJZSA-N 380.492 2.835 0 40 GFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 49126373 YQXDKAOJHVCGJV-LPHOPBHVSA-N 393.487 2.884 0 40 GFAB CCc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)cc1 67263256 SHLLRVAPLGAYKU-UHFFFAOYSA-N 379.439 2.931 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1nc2ccccc2s1 70983967 WJNKBJBVYVVHEK-UHFFFAOYSA-N 380.473 2.693 0 40 GFAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(Cc2cccnc2)C3)c1C 71890467 YAGYHHBUTRRTSL-UHFFFAOYSA-N 390.491 2.669 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241662 KLALBHKZBFPJKJ-MOPGFXCFSA-N 388.443 2.757 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 72360782 PWHQAXSOHBXGLD-KRWDZBQOSA-N 383.477 2.970 0 40 GFAB Cc1nc2cc(NC(=O)[C@@H]3CCCN(c4ccc(=O)n(C)n4)C3)ccc2s1 77100959 UXMSNIXPROYORW-CYBMUJFWSA-N 383.477 2.554 0 40 GFAB COc1cccc2c1ccn2CCC(=O)N1CCN(CCc2ccncc2)CC1 79483423 JGVMNICSXHQUTI-UHFFFAOYSA-N 392.503 2.822 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3OC)C2)c1 89469745 VZWQYVUCQCBYHE-KRWDZBQOSA-N 390.461 2.823 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1OC 90560615 LGXAKVZOOJYHPK-UHFFFAOYSA-N 393.509 2.618 0 40 GFAB Cn1nc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccc1=O 90592579 FZBWJJCCWXGJLF-UHFFFAOYSA-N 396.369 2.534 0 40 GFAB Cc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(-n2cccc2)n1 90607832 FLCKCZQDAWQJIA-UHFFFAOYSA-N 382.493 2.611 0 40 GFAB CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@@H](CNS(C)(=O)=O)C1 95430505 MDKBGGWKIWXONX-KRWDZBQOSA-N 390.553 2.757 0 40 GFAB O=C(CN1CCN(c2ccccn2)CC1)OCc1coc(-c2ccccc2)n1 95961000 HRVBXPARHFDNKG-UHFFFAOYSA-N 378.432 2.602 0 40 GFAB CC1(C)[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC[C@@]1(C)C(=O)O 96118987 HFUAESWMTIGHCA-UTKZUKDTSA-N 376.472 2.997 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)CN1c1cccc(F)c1 96238692 HNHKTOQXDNHXRK-LJQANCHMSA-N 392.427 2.783 0 40 GFAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2nnc(O)c3ccccc23)C1 101663343 OMYRUYFLQDCXGE-YEJXKQKISA-N 383.448 2.919 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 111882435 APLGNEZKBPWTKN-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB CCN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)CC 222396464 FOOHHDJQMMOEEF-UHFFFAOYSA-N 390.461 2.521 0 40 GFAB COC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1C 222433408 FLUOEHLTEGPSEX-UHFFFAOYSA-N 390.461 2.738 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1OC 224301149 WLNWGPCGPVJYQU-SOFGYWHQSA-N 398.463 2.599 0 40 GFAB CS(=O)(=O)N[C@@H](CC(=O)N1CCOc2ccccc21)c1ccc(Cl)cc1 225948669 PWALRMORHLIAAL-HNNXBMFYSA-N 394.880 2.746 0 40 GFAB COc1ccc(N(C)C(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225949112 TVSZRVJGCLAKIK-KRWDZBQOSA-N 396.896 2.992 0 40 GFAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@@H](C(C)=O)O4 226792912 WRYWOZVGRJAOJE-BEVDRBHNSA-N 396.395 2.716 0 40 GFAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1ccc2c(c1)OCC(=O)N2 226852043 PAZROZFCHJSZBZ-AWEZNQCLSA-N 392.415 2.918 0 40 GFAB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(Cl)cc1 238851534 JKBXQTKHNLZIQZ-XYPWUTKMSA-N 375.856 2.694 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242614859 PKUDCTXBOKGATM-ZHALLVOQSA-N 393.892 2.788 0 40 GFAB COc1ccc(O)c([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1 257229977 GAERPVUHAXCJDQ-NTQHEYMJSA-N 389.492 2.782 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@H]4[C@]2(O)[C@H]1O)[C@@H]1[C@H](C[C@H]3C)C1(C)C 299817692 ONMDPPVVEFWDOD-NGDHRWRTSA-N 388.504 2.614 0 40 GFAB biogenic,in-vitro O=C(c1nc2ccccc2s1)N1CCC(n2cnc3ncccc3c2=O)CC1 390831187 QIRNGBHUJALWCS-UHFFFAOYSA-N 391.456 2.879 0 40 GFAB CCC[C@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408612525 SBEUWEZZWTZWFO-LBPRGKRZSA-N 391.331 2.516 0 40 GFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)C)C1 408701426 XUALKENDQJNRLD-INIZCTEOSA-N 382.526 2.744 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 409134247 NLYJIPTXYCHCRG-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1nc(-c3ccncc3)no1)CC2 524732711 WKNWXHMBBBUMNH-INIZCTEOSA-N 394.431 2.885 0 40 GFAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 528970682 GSEMCCQUWHTYBW-HSLZFSKASA-N 396.484 2.901 0 40 GFAB O=C(O)C1(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 571763189 CSUAGESHMHLLBC-LBPRGKRZSA-N 388.247 2.855 0 40 GFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1=O 575607175 WHAMVYFQNYHYCQ-UHFFFAOYSA-N 388.777 2.731 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](OCCO)c1cccs1 575621776 UGWCGRVPXFZNAZ-ZDUSSCGKSA-N 375.899 2.738 0 40 GFAB O=C(CCc1ccccc1)N1CCC(NC(=O)N2CC[C@H](O)C23CCCC3)CC1 580613092 IHKTYGZCYIPPJR-FQEVSTJZSA-N 399.535 2.699 0 40 GFAB O=C(NCc1ccccc1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 585147861 DQVFKSNPZFOXSG-AWEZNQCLSA-N 386.498 2.943 0 40 GFAB O=C(NCc1nnc2n1CCOC2)N1CCC([C@H](F)c2ccccc2F)CC1 606443642 VUPAWLGYGLYMLM-SFHVURJKSA-N 391.422 2.580 0 40 GFAB CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1cnn(C2CCCC2)c1 630417489 LMMPFRADQKELRX-UHFFFAOYSA-N 377.466 2.841 0 40 GFAB CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C(F)(F)F)cnc1O 636065857 LXWCWQNGRROPHP-OAHLLOKOSA-N 393.365 2.509 0 40 GFAB CN(Cc1cn(C)nn1)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 660334274 JNOSUCPDJKBSTO-UHFFFAOYSA-N 390.491 2.719 0 40 GFAB C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@@]2(CCO[C@@H]2C)O1 684114844 OBGMTQLLKFHAKM-XHBSWPGZSA-N 389.374 2.823 0 40 GFAB COC1(CC(=O)N2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)CCC1 1565542937 LDVOLQDCVRIGGN-FPOVZHCZSA-N 388.508 2.955 0 40 GFAB O=C(/C=C/c1ccc(F)cc1)NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 2091256 DWHHXZAZGAWQDF-HKFHSAMXSA-N 397.475 2.521 0 40 GFAB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 3024619 TWFHACFXONLAGI-JXFKEZNVSA-N 378.384 2.844 0 40 GFAB CCOC(=O)C1=C(C(F)(F)F)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 3197114 YWFALAFDVVVRGF-LBPRGKRZSA-N 390.383 2.602 0 40 GFAB Cn1c(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)nnc1C(F)(F)F 3414034 OEWRDAJHDIHGMR-UHFFFAOYSA-N 387.412 2.913 0 40 GFAB CCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)S[C@H](C)C2 4107847 JCUDQJKGUITULS-GFCCVEGCSA-N 387.530 2.981 0 40 GFAB CCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160416 AWGKSRODZAMTMY-UHFFFAOYSA-N 385.445 2.746 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479698 DOHHPLLKNCANQY-GDBMZVCRSA-N 393.443 2.724 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2=O)c1 4497146 CXRWSAHGXCQWIM-AWEZNQCLSA-N 391.427 2.589 0 40 GFAB O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 5219490 YMODUISCQRUHRD-CQSZACIVSA-N 383.853 2.528 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCC(=O)O 5324873 IQUWPODREXZPKM-DIFFPNOSSA-N 393.871 2.567 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 6004543 CUIQNFUGMSICHG-AWEZNQCLSA-N 387.457 2.533 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)cc1OC 6940782 NAQLCJWOCVGWJG-UHFFFAOYSA-N 385.464 2.830 0 40 GFAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cccc(C(F)(F)F)c1 7675874 PJHXKIDXKWSEKB-UHFFFAOYSA-N 391.305 2.737 0 40 GFAB CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 7813959 NNJBTHPDZDXNNS-UHFFFAOYSA-N 397.541 2.682 0 40 GFAB COc1cc(Br)c(S(=O)(=O)NCc2ccco2)cc1OC 8054643 YUKHYGZWZMHHMJ-UHFFFAOYSA-N 376.228 2.538 0 40 GFAB Cc1sc2nc(COC(=O)c3cccc(S(C)(=O)=O)c3)nc(N)c2c1C 8747372 BACNKTNZRACONV-UHFFFAOYSA-N 391.474 2.651 0 40 GFAB CC(C)C(=O)N1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 8770768 KWGMKWYKBXAKHT-UHFFFAOYSA-N 394.471 2.623 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3onc4c3CCC4)CC2)cc1 8976509 NFAVVVQFXNSPHF-UHFFFAOYSA-N 389.477 2.511 0 40 GFAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4cccc(C)c4)CC3)NC2=O)cc1 9526747 BKBZAOYOKCAPIR-UHFFFAOYSA-N 390.487 2.653 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)N(C)Cc2ccc(C)cc2C)cc1 9690484 AVKBWONNPCPEMM-UHFFFAOYSA-N 389.521 2.694 0 40 GFAB CC(C)c1ccc([C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)c2cccs2)cc1 9984365 SNJGZRZOUYJVKB-IBGZPJMESA-N 383.473 2.627 0 40 GFAB CCCCn1c(N)c(N(CCOC)Cc2ccc(C(C)C)cc2)c(=O)[nH]c1=O 10566658 JAHFIICCAGTKOS-UHFFFAOYSA-N 388.512 2.695 0 40 GFAB Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 12203426 DZGONAVQLVSSLB-UHFFFAOYSA-N 392.415 2.770 0 40 GFAB CCn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c(=O)c2ccc(C)nc21 12323221 ROQAYCFRPMWUAB-IBGZPJMESA-N 377.444 2.939 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(Cl)cc1 12507202 WZJQKNPSOZESPI-GOSISDBHSA-N 388.899 2.976 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@H](C)O1 12521311 LXEBPWXOLZQXAT-KBPBESRZSA-N 392.452 2.876 0 40 GFAB Cc1ccc2c(C)cc(S[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1C 12536766 HBMVILZQPDLSKD-LSDHHAIUSA-N 392.546 2.944 0 40 GFAB COC[C@H](C)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 12558282 LKMJQSWBEWSTKL-UWVGGRQHSA-N 380.539 2.642 0 40 GFAB COc1cc(C(=O)Nc2cccc3ccccc23)cc(OC)c1OCC(N)=O 12763923 IMXFKWXYZAWBPO-UHFFFAOYSA-N 380.400 2.973 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1cc2ccccc2o1 12807094 SZZQAAIOSYZNTO-PBHICJAKSA-N 391.427 2.773 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SCC(N)=O)ccc12 12903724 HKYLRVZLWYDSQU-UHFFFAOYSA-N 398.440 2.696 0 40 GFAB Cc1ccc2cc(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)[nH]c2c1 12914772 VIVKBACDRCDNOY-HDICACEKSA-N 396.535 2.739 0 40 GFAB O=C(O)[C@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)c2ccccc2O1 13436770 IIOHTCSZJKKTEA-GOSISDBHSA-N 380.400 2.696 0 40 GFAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)N1CCc2ccccc2C1 14001269 SNIJIKLLBPXIFL-UHFFFAOYSA-N 390.418 2.992 0 40 GFAB COc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)N1CCCCC1 14578369 DJPYXOXLQLERCK-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB Cc1nonc1CC(=O)NCCn1ncc(-c2ccncc2)c1-c1cccs1 19559030 ONTBNOWNDGABMK-UHFFFAOYSA-N 394.460 2.724 0 40 GFAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 19857111 CCVHCHGSFFDEOO-QGZVFWFLSA-N 388.489 2.876 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20025889 HDDYFYOSCINLFN-VXGBXAGGSA-N 377.416 2.531 0 40 GFAB CCCC[C@H](c1nnnn1Cc1ccco1)N1CCN(C(=O)c2ccco2)CC1 20141525 AJQUKKJDEVBWNH-QGZVFWFLSA-N 398.467 2.597 0 40 GFAB NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 20612097 FIUCXPIFZGTROO-UHFFFAOYSA-N 385.851 2.930 0 40 GFAB S=C(NCc1ccccc1)N(CCCN1CCOCC1)Cc1ccncc1 21779669 HTGSVCYMWTVYMW-UHFFFAOYSA-N 384.549 2.681 0 40 GFAB O=C1CCCN1Cc1nnc(SCCc2ccccn2)n1-c1ccccn1 22282178 HHABDUGZHQVIAI-UHFFFAOYSA-N 380.477 2.515 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC[C@@H](c1ccccc1)N(C)C 22794388 ZRLNCRBQGNJIRM-PMACEKPBSA-N 386.492 2.530 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C 23106653 CZNNCWSKSYTFSK-ZDUSSCGKSA-N 381.885 2.768 0 40 GFAB COc1cccc(CNC(=O)Cn2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 23126486 DTWGERILYRLTJW-UHFFFAOYSA-N 376.416 2.511 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C[C@@H](O)COc2ccccc2F)CC1 25304712 JIKGAJXANSQQKT-LJQANCHMSA-N 386.467 2.594 0 40 GFAB O=C(c1cc(Cl)c[nH]1)N1CCN(Cc2nc(Cc3ccccc3)no2)CC1 25442716 KTIHLEFNYXRJCP-UHFFFAOYSA-N 385.855 2.600 0 40 GFAB O=C1C(=O)N(CN2CCN(c3ccccc3F)CC2)c2c(F)ccc(Cl)c21 26551937 HJZLIKMHJCVTSS-UHFFFAOYSA-N 391.805 2.927 0 40 GFAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1 27743845 OEAIIXMXFDBPSX-UHFFFAOYSA-N 398.282 2.902 0 40 GFAB O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 30674693 MABMJBUVQOQDKF-GXSJLCMTSA-N 384.276 2.659 0 40 GFAB NC(=O)[C@@H]1CC(C(=O)Nc2cccc(OC(F)(F)F)c2)=NN1c1ccccc1 32770923 OPLLUQCYFOSOQG-HNNXBMFYSA-N 392.337 2.644 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 32906508 XVOXOKBNQOQISK-UHFFFAOYSA-N 386.473 2.887 0 40 GFAB CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 33325499 OWPFTAIVYGBTQH-ZBFHGGJFSA-N 375.494 2.746 0 40 GFAB O=C1CN(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c2ccccc2N1 35315360 CGKOJLXJXGYQAD-UHFFFAOYSA-N 390.428 2.584 0 40 GFAB COc1ccc(C2(CNC(=O)c3ccc4c(c3)OCO4)CCOCC2)cc1OC 36079141 CZNZWFBGXHWMTP-UHFFFAOYSA-N 399.443 2.911 0 40 GFAB biogenic CN(CC(=O)O)[C@H](C(=O)O)c1c[nH]c2cc(NC(=O)c3ccccc3)ccc12 36356965 ALZIMHSDLVPSTG-SFHVURJKSA-N 381.388 2.562 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)Nc3ccccc3F)N=C2O)cc1 36589829 YYUBMPZPXDXFLH-QGZVFWFLSA-N 385.395 2.878 0 40 GFAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 36877127 BMMCODLBKWTICO-OAQYLSRUSA-N 383.448 2.661 0 40 GFAB COC(=O)c1ccc(CNC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1 40160413 JFVVVPALEVBDSX-INIZCTEOSA-N 389.839 2.543 0 40 GFAB CN(C)C[C@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](O)c1ccccc1 43492342 FVOYFDJHOJREMR-UWJYYQICSA-N 399.491 2.881 0 40 GFAB Cc1sc2ncn(CC(=O)NCCO[C@H]3CCCC[C@@H]3C)c(=O)c2c1C 47188670 CDSMVPLCNMVQNB-WFASDCNBSA-N 377.510 2.786 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc(-n2cncn2)nc1 48133095 PMVOQZAJZNDWKE-UHFFFAOYSA-N 388.435 2.571 0 40 GFAB CC(C)CN1C[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O 48325165 SCECUTRLOFZYDQ-QGZVFWFLSA-N 391.943 2.925 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 48513571 URMOJCSIIOEDCG-GXTWGEPZSA-N 388.493 2.998 0 40 GFAB Cc1cccc(CN2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 49402479 UVEKGCUWCMKTOG-UHFFFAOYSA-N 383.473 2.725 0 40 GFAB COC(=O)CN(Cc1cc(=O)n2ccsc2n1)Cc1ccccc1Cl 52864554 WRTQGEGSEJPKQY-UHFFFAOYSA-N 377.853 2.585 0 40 GFAB O=S1(=O)N=C(CN2CCC(CN3CCCCCC3)CC2)Nc2ccccc21 57265283 YJLVQLLDZLWWLB-UHFFFAOYSA-N 390.553 2.787 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1F 70762674 QRXBHFBLRDFXSY-AWEZNQCLSA-N 381.322 2.693 0 40 GFAB COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71284278 USGLRNUNCIAPED-QWHCGFSZSA-N 389.433 2.699 0 40 GFAB CC1(C)C[C@H](NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CCO1 71284756 PTXJSDSFGKXEQF-CYBMUJFWSA-N 375.856 2.638 0 40 GFAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc2c(c1)OCCO2 71769055 LZBGPVQNPFQPTA-UHFFFAOYSA-N 397.406 2.603 0 40 GFAB O=C(CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1 72348732 SFAQEQJMMPWKTN-LJQANCHMSA-N 397.494 2.850 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358029 RJXJCFWSCKHYAF-OAQYLSRUSA-N 383.467 2.807 0 40 GFAB CCOC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(=O)O)cs1 79103138 NSRQKVDNMSAGPP-UHFFFAOYSA-N 395.458 2.765 0 40 GFAB COC(=O)C1(NC(=O)CSc2nccc(C(F)(F)F)n2)CCCCC1 83884384 GPKJNDJERQYYSC-UHFFFAOYSA-N 377.388 2.580 0 40 GFAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89385912 VDBYWVGYPVEBOA-GJZGRUSLSA-N 384.263 2.614 0 40 GFAB Cn1c(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc(Cl)c1Cl 89741058 ZTMHOSVQEZMKJI-KGLIPLIRSA-N 382.291 2.697 0 40 GFAB CC(C)CN1C[C@@H](C(=O)Nc2nc(CCc3c[nH]c4ccccc34)n[nH]2)CC1=O 95480059 FJIOQVFDINTRID-HNNXBMFYSA-N 394.479 2.514 0 40 GFAB Cn1cnc(-c2ccc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)cc2)n1 96011285 QKYDFIQASFFVIY-UHFFFAOYSA-N 394.403 2.927 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)o1 96051665 XSEZAYWGRJLYQW-GOSISDBHSA-N 388.489 2.951 0 40 GFAB CC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 97592930 KBOSBSQETFMNLV-INIZCTEOSA-N 376.478 2.667 0 40 GFAB C[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100788172 GFSSTFKBUHKJGQ-WKOIVZFLSA-N 393.468 2.944 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4)[C@H]3C2=O)c1 101268449 YHABNWUCPNTIIR-WBVHZDCISA-N 386.791 2.650 0 40 GFAB COC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 107496273 VAJSNIUHAUKOTE-RBSFLKMASA-N 393.459 2.856 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222756062 TZHRAUWZDOEJQH-UHFFFAOYSA-N 391.474 2.564 0 40 GFAB CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3F)n2)cc1 223633156 HKFHOJSQXOUFDR-UHFFFAOYSA-N 391.424 2.894 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1I 225201285 KRMQXOFEAXHRGV-SECBINFHSA-N 383.251 2.623 0 40 GFAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cc(OC)ccc2OC)c1=O 225969502 ISDVVHPUXVHXNQ-UHFFFAOYSA-N 388.420 2.655 0 40 GFAB CCN1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2N)CC1 226263761 HMXKSNHJZLLOJM-UHFFFAOYSA-N 384.480 2.680 0 40 GFAB FC(F)(F)c1cccc(N2CCN(C3CCN(C4CCOCC4)CC3)CC2)n1 245053563 PADZHDSRUYKMNM-UHFFFAOYSA-N 398.473 2.866 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1 245229733 DWOBIUSWWAXKKO-DWRORGKVSA-N 376.522 2.701 0 40 GFAB O=C(c1cccc(F)c1)N1CC2(C1)OCC[C@H]2CCOCC1CCOCC1 247947216 RIYWHRMORXVIAJ-GOSISDBHSA-N 377.456 2.890 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 250661258 FIMHXQAMZPEVJX-ABAIWWIYSA-N 399.274 2.900 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1ccco1)N1CCSCC1 253402805 OTURHGSBSIFMOE-MQDFFIGUSA-N 386.473 2.928 0 40 GFAB CCN(CC)C(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)CCc1ccncc1 257237280 HFVPLNPPAISEAR-GOSISDBHSA-N 383.496 2.973 0 40 GFAB Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257273668 NHQLKTUWLCWHQN-SFHLNBCPSA-N 381.480 2.544 0 40 GFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)c2cnccn2)c1 257337885 YUWVEGCQKJNDIZ-IPJJNNNSSA-N 394.475 2.890 0 40 GFAB CN(CC(=O)O)C[C@H]1CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCO1 263468395 GXLFPQPEOVJDMH-SFHVURJKSA-N 395.459 2.507 0 40 GFAB COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccsc3)C2)cc1 306135718 OYMVQJCKPXBJHE-OAQYLSRUSA-N 394.500 2.923 0 40 GFAB COc1ccccc1CC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390829993 IABCCQKEDUVPSN-LJQANCHMSA-N 391.464 2.765 0 40 GFAB COc1ccccc1N(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 408612501 VNDLRXLBSHZCIT-UHFFFAOYSA-N 392.521 2.546 0 40 GFAB COCc1ccccc1S(=O)(=O)NC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 528982586 LQJWTHKMCHSBOV-INIZCTEOSA-N 397.399 2.738 0 40 GFAB Cc1ccnc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 565339192 KGURBPRXKOVBJF-SFHVURJKSA-N 389.459 2.871 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1)c1nnc2n1CCCCC2 571772901 NHMOHYLDGZZNJP-XOKHGSTOSA-N 387.915 2.838 0 40 GFAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 584822478 ZWRWARCKZSWKEL-QHSBEEBCSA-N 392.246 2.991 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)n[nH]1 585149624 CVYWGXDMELCHTH-UHFFFAOYSA-N 388.431 2.811 0 40 GFAB CCN(C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O)C1CCCCC1 585285153 OINPTSXQBRITRK-PZJWPPBQSA-N 394.943 2.933 0 40 GFAB CC1(N2CCOCC2)CCN(C(=O)c2ccc(OCc3ccccc3)cn2)CC1 633684102 KMXGGQCDYQYXNE-UHFFFAOYSA-N 395.503 2.988 0 40 GFAB CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 647738043 SJSIRLZAQKNJCY-HZPDHXFCSA-N 384.398 2.849 0 40 GFAB CN1CCN(C(=O)[C@H](Cc2ccccc2)Nc2ncnc3c(F)cccc23)CC1 1651418335 CYARMJISDBASJU-IBGZPJMESA-N 393.466 2.566 0 40 GFAB O=C(c1ccc(-c2ccsc2)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966017 PAHPLPXZHQKRFM-UHFFFAOYSA-N 382.420 2.833 0 40 GFAB COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 103598309 BCFLFWGIXLIAIV-JTQLQIEISA-N 387.436 2.861 0 40 GFAB CC(=O)Nc1ccc(-c2nnn(CC(=O)Nc3ccccc3C)n2)cc1Cl 1344318 TWDDPSWAISOQLO-UHFFFAOYSA-N 384.827 2.899 0 40 GFAB Cc1ccc2c(c1)cc(CN(C[C@H]1CCCO1)C(=O)C(F)(F)F)c1nnnn12 1376953 SBQLYKGOMXLGJW-CQSZACIVSA-N 393.369 2.656 0 40 GFAB C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 79103870 ANRQOYSMVBRXOX-AWEZNQCLSA-N 394.518 2.514 0 40 GFAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1C(N)=O 2739738 LRKPYDZVBOBEDJ-WDEREUQCSA-N 396.465 2.550 0 40 GFAB NC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3564804 ZILDSRJVILVMRH-UHFFFAOYSA-N 398.806 2.544 0 40 GFAB O=C(CN1CCN(Cc2ccc(-n3ccnc3)cc2)CC1)Nc1cccc(F)c1 22924765 MPVYCXOAPSSIPT-UHFFFAOYSA-N 393.466 2.768 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O 3870963 RFDMNXDDRXVJTM-HQOQDVMHSA-N 384.384 2.615 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(OC)c(OCC)c1 977290 KOTYUMBALJCWIE-QGZVFWFLSA-N 390.461 2.917 0 40 GFAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1Br 4944520 OVOBGZSYPOWMEX-VIFPVBQESA-N 380.267 2.739 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Cl)cc1 6817764 LNHHORHITWROTI-UHFFFAOYSA-N 386.886 2.618 0 40 GFAB Cc1cc(C)cc(N2C(=O)C[C@H](Sc3nnc4nc(C)cc(C)n34)C2=O)c1 102242861 SXZSGELMIPSBRH-HNNXBMFYSA-N 381.461 2.782 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(N2CCOCC2)cn1 12521589 ZIMZEHRSSPHVQZ-UHFFFAOYSA-N 385.512 2.959 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2c(Cl)cccc2Cl)cc1 8158240 ZESQWCGVAZMAKC-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB COc1cccc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)c1 43276580 IFAWYJFOJMMKQY-UHFFFAOYSA-N 377.857 2.722 0 40 GFAB COCCn1c(SCC(=O)NCc2ccc(C)cc2)nc2ccccc2c1=O 3296725 XMMIVTOLIGPMAN-UHFFFAOYSA-N 397.500 2.760 0 40 GFAB COc1ccccc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486025 ZPCZIXXGKNESGE-UHFFFAOYSA-N 387.461 2.528 0 40 GFAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C)cc1)C3 20632413 DSFNCHUVLJBKNZ-CYBMUJFWSA-N 382.445 2.611 0 40 GFAB CC(=O)N[C@@H](CC(=O)N1CCN(Cc2cccs2)CC1)c1cccs1 48248942 OVUFCWRGWCGWMZ-INIZCTEOSA-N 377.535 2.721 0 40 GFAB NC(=O)Cc1csc(NC(=O)c2c[nH]c3ccc(Br)cc23)n1 12759860 RWEMXXNHKLWUQE-UHFFFAOYSA-N 379.239 2.667 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCc2ccccc2)N2CCOCC2)cc1OC 12756451 FUZKLVOCPLPJNS-HXUWFJFHSA-N 398.503 2.826 0 40 GFAB O=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(Cl)cc1 3318226 HKCQERQGIBSIRY-UHFFFAOYSA-N 389.835 2.935 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C[C@H](C)O1 3367332 JXFARLUWIWXFHC-YUMQZZPRSA-N 381.643 2.834 0 40 GFAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2145684 VOUYORCKYNDAJI-LDDOYCOJSA-N 392.249 2.687 0 40 GFAB biogenic Cc1cc(NC(=O)[C@H](C)Sc2nncs2)ccc1N1CCN(C)CC1 58305376 NCFVYWLBSTXUCK-ZDUSSCGKSA-N 377.539 2.718 0 40 GFAB CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3364607 FWZPPUHMGKVHOA-UHFFFAOYSA-N 384.845 2.628 0 40 GFAB CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)C(C)C)ccc3n2C)c1OC 36369997 JADBMWOKESQDGB-UHFFFAOYSA-N 383.452 2.542 0 40 GFAB biogenic COCc1nnc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)s1 36359322 LVPLBNIYAINTCV-UHFFFAOYSA-N 393.428 2.636 0 40 GFAB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 20455775 JWGCXVKUOJHSOL-OAHLLOKOSA-N 378.469 2.913 0 40 GFAB COc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)cc1 2635342 OETXAPMIPBUPOF-RTBURBONSA-N 390.443 2.620 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2ccc3ccccc3n2)sc2c1CCC2 2654439 WTPVTFDQAROUQE-UHFFFAOYSA-N 395.440 2.679 0 40 GFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 2619881 HROFTKGIAZADJI-HXUWFJFHSA-N 385.851 2.732 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c(OC)c1 38145697 YJPZYTHUNKARFS-FQEVSTJZSA-N 389.452 2.533 0 40 GFAB O=C(CN1CCCc2ccccc21)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 13061864 GPVHHXDSUVLOSC-LJQANCHMSA-N 390.549 2.788 0 40 GFAB COc1ccc(NC(=O)CN(C)CCS(=O)(=O)c2cc(C)ccc2C)cc1 9155401 HVEFSOTZOOTUOQ-UHFFFAOYSA-N 390.505 2.656 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)CCc1nc2ccccc2c(=O)[nH]1 4250214 ZDIGKOYWJZCXNI-UHFFFAOYSA-N 380.400 2.810 0 40 GFAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4F)c3)c2)n1 65250866 YYQXDSIUYGFCDL-UHFFFAOYSA-N 378.367 2.695 0 40 GFAB COc1cc(Br)c(CC(=O)NCc2ccc(C)n2C)cc1OC 14113473 WFBXFBDEPOGMRH-UHFFFAOYSA-N 381.270 2.972 0 40 GFAB C[C@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1ccco1 14251762 RRHZHGZERRHKQQ-ZDUSSCGKSA-N 375.384 2.763 0 40 GFAB CCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408591932 MHSOPCBCJOOINY-HNNXBMFYSA-N 382.526 2.981 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409387492 AKVPLALUPANJJX-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB Cc1c(C(=O)NCCN2CCC[C@H](C)C2)nnn1-c1cccc2cccnc12 67137339 IUAWBGUPCGUJJK-HNNXBMFYSA-N 378.480 2.586 0 40 GFAB COc1cc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC 4976397 JTJLOXGCDZIGNB-UHFFFAOYSA-N 388.420 2.796 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCCC1 408622975 OLAGHOOBUIJCMO-UHFFFAOYSA-N 380.510 2.643 0 40 GFAB CC[C@H](C(=O)OCc1ccc(C(N)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1 16132340 IWSKCXPTWDEJMS-MRXNPFEDSA-N 399.838 2.787 0 40 GFAB NC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 7988091 UCZYBJMNLLTNJK-UHFFFAOYSA-N 375.350 2.882 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)N1CCCC1 83888669 MTQNBEJPOFQKLE-BMIGLBTASA-N 384.263 2.614 0 40 GFAB O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1cccc(N2CCCC2=O)c1 69879449 KZKDAYRSOJEQFC-HXUWFJFHSA-N 377.488 2.919 0 40 GFAB O=C(CN1CSCC1=O)NCc1ccc(-c2ccc(Br)cc2)o1 8767859 LWNZFYORPZAIHK-UHFFFAOYSA-N 395.278 2.858 0 40 GFAB C[C@H](NC(=O)CSCc1nc(N)nc(N(C)C)n1)c1ccc2ccccc2c1 8877626 GRLMTPCPZZGRCC-ZDUSSCGKSA-N 396.520 2.784 0 40 GFAB O=C(COC(=O)c1csc(Nc2ccccn2)n1)NCc1ccc(F)cc1 72290902 WOZYVCXDEOWWNQ-UHFFFAOYSA-N 386.408 2.894 0 40 GFAB CCCO[C@H]1CCCN(C(=O)NCc2ccc(NS(=O)(=O)CC)cc2)C1 95957638 QJGHQVPECATZNC-KRWDZBQOSA-N 383.514 2.549 0 40 GFAB O=C(NC1CCN(CCn2cc(Br)cn2)CC1)c1ccsc1 95957549 KNDBDLRLBCUSHS-UHFFFAOYSA-N 383.315 2.602 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1C 20016368 QQNZVVYINSBZMY-LBPRGKRZSA-N 398.431 2.977 0 40 GFAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCC(C)C)n2)cc1 32072685 RJCHPJRGEDYWCQ-UHFFFAOYSA-N 383.404 2.963 0 40 GFAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OCC(N)=O 36353734 QSXZIRRDPDTKIQ-OAHLLOKOSA-N 392.415 2.869 0 40 GFAB CC(C)c1ccccc1OCCNC(=O)CN(C)S(=O)(=O)c1ccccc1 110509115 NAPQCARORAJAJN-UHFFFAOYSA-N 390.505 2.626 0 40 GFAB Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@]2(COCc3cncnc32)C1 306139103 SPJDWWGZJUXAFB-NRFANRHFSA-N 376.416 2.754 0 40 GFAB COc1ccccc1CN1CCN(c2nnc(-c3ccccc3F)n2C)CC1 508572593 CUNVHMXORKJMTJ-UHFFFAOYSA-N 381.455 2.952 0 40 GFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 32998010 ZUHXWDDYAWPAQV-SOLBZPMBSA-N 378.538 2.808 0 40 GFAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(-c2ccccc2)cc1 408996987 CIMLBDVAGVVAFU-GOSISDBHSA-N 383.448 2.918 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2ccccc2F)o1 553079454 RDZATFCQMYZTJP-BBRMVZONSA-N 394.468 2.924 0 40 GFAB CCc1ccc(OCCS(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1 70637874 IBFKZEKAFIDGEM-UHFFFAOYSA-N 390.505 2.906 0 40 GFAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)N(C)C1=S 39556685 UVFRQHCPBIYWNI-PDGQHHTCSA-N 396.516 2.683 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@H]1CC12CCOCC2 562586381 QSAMFKPLZBOGBV-QGZVFWFLSA-N 395.525 2.715 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1COc2ccccc2O1 79440146 ZQYJWWYDVQSJDU-WMLDXEAASA-N 376.453 2.732 0 40 GFAB CN1CCc2ccc(NC(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2C1=O 136453590 JGKYNUCJMZANIF-MRXNPFEDSA-N 378.476 2.963 0 40 GFAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(N2CCCS2(=O)=O)CC1 568216095 DNVNHXGCZAKFSY-UHFFFAOYSA-N 398.528 2.923 0 40 GFAB Cc1cc(NC(=O)COc2nn(-c3ccccc3)cc2Br)no1 227151487 LFXFAFYTKSZMHZ-UHFFFAOYSA-N 377.198 2.949 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 44840369 GERKVBGXCFBSLH-CQSZACIVSA-N 383.423 2.590 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)cc1 222721731 JJUQLBQTULISNX-UHFFFAOYSA-N 390.505 2.769 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)s2)cc1 224229401 LUXPZZFHQHZNBM-YUTCNCBUSA-N 392.506 2.566 0 40 GFAB CN(CCCNC(=O)COc1cccc(N2CCCC2=O)c1)Cc1ccccc1 96402264 NXTUMANDYWFYAO-UHFFFAOYSA-N 395.503 2.831 0 40 GFAB CSCC[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nnc2ccccn12 96231802 DMVKHPGXSPAIAI-HNNXBMFYSA-N 384.509 2.946 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1Cl 257236764 HDRWGUIWPXNYLH-APWZRJJASA-N 377.916 2.852 0 40 GFAB CC(C)n1nccc1-c1cc(CC2CCN(S(=O)(=O)N(C)C)CC2)ccn1 257293598 QQIMIUOVRVXVDQ-UHFFFAOYSA-N 391.541 2.587 0 40 GFAB CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 363512566 WAQHGLBPLUQCQK-YSFYHYPLSA-N 385.552 2.609 0 40 GFAB COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O 623043596 CFTZKYUMPULOFN-FQEVSTJZSA-N 381.476 2.639 0 40 GFAB CC1(F)CCN(C(=O)c2cc(=O)cc(C(=O)N3CCC(C)(F)CC3)o2)CC1 634361904 UVASFZFUIMZJLI-UHFFFAOYSA-N 382.407 2.568 0 40 GFAB Cc1cn(C)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1=O 664060383 MBLOTLGVJLGJMQ-OAHLLOKOSA-N 396.274 2.526 0 40 GFAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)COc2cccnc2)n1 585177425 LWZCDHIREOZZIB-SFHVURJKSA-N 379.420 2.886 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC4CCCC4)C[C@@H]23)cc1 585106099 LOCCGOYQAFBJSQ-RTWAWAEBSA-N 395.547 2.838 0 40 GFAB CCOC(=O)c1[nH]c2cc(I)ccc2c(=O)c1Cl 685937101 IZZIKGVRFCFITL-UHFFFAOYSA-N 377.565 2.963 0 40 GFAB CCn1nc(C(=O)NC2(c3noc(C)n3)CCCCC2)c2ccccc2c1=O 32899143 CNAZYNPCWNZFIB-UHFFFAOYSA-N 381.436 2.697 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 32421072 XVZPHVRLJAXJBO-JXMROGBWSA-N 389.459 2.508 0 40 GFAB CCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 72334404 AGSKFMMKABGWSB-XUZZJYLKSA-N 391.515 2.760 0 40 GFAB O[C@H]1[C@H](NCc2ccccc2F)[C@H]2CO[C@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 952845037 ZRFIJLSFTZPRMZ-CSEOROSGSA-N 395.434 2.505 0 40 GFAB biogenic,in-vitro Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 666517805 QWZSSNHRKFKSFS-WOJBJXKFSA-N 380.444 2.982 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)no1 1615157946 OWYDGPCUFMGPQD-HXUWFJFHSA-N 387.411 2.550 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5576662 HPFJMAHZPKLVKD-UHFFFAOYSA-N 388.445 2.510 0 40 GFAB O=C(CCn1c(-c2ccc(F)cc2)cc2cccnc21)NC[C@@H]1COCCO1 12327433 AZJIKCHENSCZAE-GOSISDBHSA-N 383.423 2.764 0 40 GFAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(C(C)C)n1 15357415 ZZQFJGPYQZTIGA-UHFFFAOYSA-N 396.463 2.698 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 16104036 VVOBQEFMIRJAIX-UHFFFAOYSA-N 398.387 2.624 0 40 GFAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)c1cc2ccccc2o1 19376276 YHGFJABBENLTRT-OAHLLOKOSA-N 375.432 2.684 0 40 GFAB COCCc1ncc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cn1 19453661 ODCYIBNJHSFLOW-UHFFFAOYSA-N 396.539 2.737 0 40 GFAB CCc1c(C)nc([C@@H]2CCCN(Cc3cc4c(cc3OC)OCO4)C2)[nH]c1=O 19521542 VGZSNTXMKBSMOP-CQSZACIVSA-N 385.464 2.758 0 40 GFAB CC[C@@H](CO)NC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12226764 OMUAUVMKELIUAR-AWEZNQCLSA-N 376.428 2.707 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CCC(Oc3ccncc3Cl)CC2)c1C 253471161 BISIGVIUMQXQET-UHFFFAOYSA-N 398.916 2.800 0 40 GFAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 6035718 AJKJPQXXSOLWEK-JTQLQIEISA-N 381.454 2.769 0 40 GFAB Cc1cc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)n2nc(C)cc2n1 1889148932 QPGRIGQABWETTH-UHFFFAOYSA-N 390.369 2.613 0 40 GFAB COc1ccc(NC(=O)N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)c(OC)c1 1889191866 BLDDJKMQPALCJN-OAHLLOKOSA-N 385.468 2.935 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1 5222156 ZSFYDSSSJYOFLD-MRXNPFEDSA-N 376.453 2.835 0 40 GFAB CCC(=O)N[C@](Nc1nc2ccc(F)cc2s1)(C(=O)OC)C(F)(F)F 9319955 SGLTVTDKXOXIPA-ZDUSSCGKSA-N 379.335 2.805 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)C2CC2)n1 16890440 USUSEJHWLDTSTM-UHFFFAOYSA-N 388.449 2.640 0 40 GFAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cccs2)C1 2055746468 JYLADNRAIGQNTD-IBGZPJMESA-N 377.485 2.706 0 40 GFAB Cc1cnc(OC[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)on3)C2)nc1 1775970200 GNYPDOBPJIPMHD-HNNXBMFYSA-N 379.420 2.766 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 15781482 ZIISKYAGVOBRNC-UHFFFAOYSA-N 394.518 2.898 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCC2)cc1 20068835 GMDTWEADPFJHQL-SJORKVTESA-N 387.509 2.757 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 40161990 MVGCLMAXJBNUTR-CRAIPNDOSA-N 385.439 2.725 0 40 GFAB COC(=O)c1cn(-c2ccccc2NC(=O)[C@H](C)Oc2ccc(F)cc2)nn1 31622830 JQYYEDALUHJMST-LBPRGKRZSA-N 384.367 2.599 0 40 GFAB Cn1nc(O)c2c(C(=O)N3CCN(c4ccccc4)CC3)cc(C3CC3)nc21 31808647 OYKNDGBTSYACMN-UHFFFAOYSA-N 377.448 2.514 0 40 GFAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1OC 20734539 BJMFYMUCKWWNGA-UWJYYQICSA-N 382.460 2.582 0 40 GFAB biogenic CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C[C@H]1Oc2ccccc2NC1=O 32719562 LUDPTNBJGOOEPG-MRXNPFEDSA-N 396.403 2.858 0 40 GFAB COc1cc(CN(C)C(=O)C2=NN(C)C(=O)CC2)ccc1OCc1ccccc1 32836991 GXTIJCKLXVUTJI-UHFFFAOYSA-N 395.459 2.841 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 32903840 HWUKMHYFFPRBQS-UHFFFAOYSA-N 398.488 2.768 0 40 GFAB Cc1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1C(N)=O 103237936 WMFGLGDGJPCVQQ-SFHVURJKSA-N 380.492 2.780 0 40 GFAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CC2)C1 1340201 LHWIGECEFMQETH-AWEZNQCLSA-N 386.521 2.666 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)c1 1461425 GWWNQAMBXDVSJL-OAHLLOKOSA-N 392.411 2.607 0 40 GFAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)cc1 2230341 HWKOYKIDVBBRFU-QHCPKHFHSA-N 394.471 2.946 0 40 GFAB Cc1ccc(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1 2643025 INSGVKLJYBRFNE-UHFFFAOYSA-N 376.412 2.948 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 3382699 KLBSMTOJUGNVMO-UHFFFAOYSA-N 387.388 2.661 0 40 GFAB COc1cc(OC)cc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)c1 3459417 TYMPITWDPTZROA-UHFFFAOYSA-N 382.338 2.832 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C(C)C 3522093 RBYLYWZQRUQOLG-LBPRGKRZSA-N 391.497 2.861 0 40 GFAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 4121756 PZTNELGQXZFAFH-UHFFFAOYSA-N 390.553 2.994 0 40 GFAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccc(C)cc1C 4385563 AUIIHGYGTGFIBA-INIZCTEOSA-N 386.477 2.610 0 40 GFAB Cc1cccc(Cn2c(=O)c3c(nc4n(C5CCCC5)c(C)cn34)n(C)c2=O)c1 4945191 GBPDDAJEIJJJDR-UHFFFAOYSA-N 391.475 2.930 0 40 GFAB CN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1cccs1 5438081 XOZBSTFIKVWPSK-UHFFFAOYSA-N 393.317 2.992 0 40 GFAB O=C(COn1nnc2ccc(C(F)(F)F)cc21)NC12CC3CC(CC(C3)C1)C2 5458799 CHZSHDVNIRNCQY-UHFFFAOYSA-N 394.397 2.964 0 40 GFAB COc1cc2nc(CN(C)Cc3cccc(OC)c3OC)[nH]c(=O)c2cc1OC 6505337 FTQDYFPSHCSCHB-UHFFFAOYSA-N 399.447 2.590 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(F)ccc1C 6608892 DZZNATMAMGHLRL-SFHVURJKSA-N 376.453 2.849 0 40 GFAB Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1 7111828 WXTQSBIGMWTBCB-UHFFFAOYSA-N 392.444 2.543 0 40 GFAB CCn1c(SCC(=O)N2CCN(c3ccccn3)CC2)nc2ccccc21 7153901 HUOVTGSZMHYTJK-UHFFFAOYSA-N 381.505 2.892 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCOC1=O 7643439 VJHRNIOFKMALJR-UHFFFAOYSA-N 384.417 2.657 0 40 GFAB Cc1nnc(S/C(=C\c2cccc(I)c2)C(=O)O)[nH]1 8272319 YMGRWXZNFGOAHD-POHAHGRESA-N 387.202 2.936 0 40 GFAB CCOc1ccc(CN(C)CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 8478418 XUGOQWRLBHVPQX-UHFFFAOYSA-N 399.447 2.637 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)c1 8899496 CIRZFADALGOZIC-INIZCTEOSA-N 396.534 2.881 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccncc2)N1Cc1ccccc1 9422049 YBIPUPJGXZPJHT-TZIWHRDSSA-N 380.469 2.931 0 40 GFAB Cc1nc2ccc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc2s1 10784394 LPHQOKPLEVUJIE-UHFFFAOYSA-N 389.502 2.949 0 40 GFAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(OC)cc2OC)nn1 11738962 KZUFYBHIDFWJHF-UHFFFAOYSA-N 376.438 2.573 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCCC2)cc1C 11846949 VROGDRLFTOQXND-IBGZPJMESA-N 391.537 2.848 0 40 GFAB CCc1nn(CC(=O)NCCc2ccc(F)cc2)c(=O)c2cc3sccc3n12 12115306 WDZYKKYROJYMFD-UHFFFAOYSA-N 398.463 2.771 0 40 GFAB CCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3cc(OC)ccc3c2)C1=O 12751647 WNEKIHQXSOHYRF-NRFANRHFSA-N 383.448 2.532 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)CC1=O 12766253 PCBCYKUBXVOMMH-JKSUJKDBSA-N 396.443 2.643 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 13042096 UWDNMCKIGGUBRU-MRXNPFEDSA-N 396.491 2.608 0 40 GFAB COc1ccccc1CCC(=O)N[C@@H](CC(=O)O)c1ccc(OC)c(OC)c1 13184139 BSEFLYIRBWFUEZ-INIZCTEOSA-N 387.432 2.977 0 40 GFAB Cc1ccccc1-c1noc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1 13240537 PEFYIDQAUVRSNB-MRXNPFEDSA-N 380.404 2.540 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc(F)cc3)n2)cc1 13801114 HMRQGFSLEDDHRE-UHFFFAOYSA-N 395.434 2.943 0 40 GFAB COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14000227 LGVLHXVJLPGFAD-HNNXBMFYSA-N 384.432 2.622 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCNC(=O)c1ccc(Cl)cc1 14119264 JSGIUTNGZQSWFD-INIZCTEOSA-N 388.851 2.758 0 40 GFAB COC(=O)c1sc(NC(=O)CCN(C)Cc2ccco2)c(C(=O)OC)c1C 14199662 ZFYAZIKQYRDRGQ-UHFFFAOYSA-N 394.449 2.683 0 40 GFAB COCCN1C(=O)N[C@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C 14254682 QERWRYZRDAAQBS-CQSZACIVSA-N 383.242 2.609 0 40 GFAB Cc1nnc(NC(=O)CSc2nnc3ccc(-c4cccs4)nn23)s1 15881726 BYDPKIJDJXVVRW-UHFFFAOYSA-N 389.491 2.744 0 40 GFAB COc1ccc([C@@H]2CN(Cc3ccncc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285519 BXSDOEIXGJPPND-VQTJNVASSA-N 376.460 2.865 0 40 GFAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19448257 BTSBVYBFTTXSNE-IBGZPJMESA-N 398.482 2.582 0 40 GFAB CCc1cc(C(=O)N2Cc3ccc(OC)cc3C[C@@H]2C2CCOCC2)n(C)n1 19522152 YXOKAKZSHCNDOX-HXUWFJFHSA-N 383.492 2.985 0 40 GFAB CCOc1cc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)ccc1O 19531859 BVYFFHNXDMGQID-OAHLLOKOSA-N 398.507 2.669 0 40 GFAB Cc1cc(C)n(CCCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c(=O)n1 19572588 YYMRQAFFZALDCU-NRFANRHFSA-N 399.491 2.925 0 40 GFAB COC(=O)c1ccsc1N1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 19882046 WMAAEQAZPQEDAX-LBPRGKRZSA-N 391.426 2.657 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 20019492 ZNZIOWCDUUOUED-UHFFFAOYSA-N 398.431 2.917 0 40 GFAB CCOc1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 20482301 BPYSTXGXKADDCY-UHFFFAOYSA-N 388.489 2.999 0 40 GFAB CCc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 21023714 SCSZCJLFPJYKDH-UHFFFAOYSA-N 391.406 2.898 0 40 GFAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCN1CCOCC1 22457513 VEWNGGWPUCZWRH-UHFFFAOYSA-N 390.487 2.910 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2cccc3cccnc23)CC1 22515481 NQHLYKRWBXTOBK-OAQYLSRUSA-N 389.455 2.719 0 40 GFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(OC)cc2)c1 23603881 HKVQXPVPQSCQKC-UHFFFAOYSA-N 376.478 2.574 0 40 GFAB C[C@H](NC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cc2ccccc2o1 23718501 SVYAPTYUGSWCTM-WMLDXEAASA-N 390.505 2.509 0 40 GFAB COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(C)cc3C)C2=O)c1 24087117 WYQHRXYBYDUMFB-VGSWGCGISA-N 398.459 2.519 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 24593867 GOIFZMFFJBWUEE-IBGZPJMESA-N 393.487 2.749 0 40 GFAB C[C@H](Cn1cccn1)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 24806800 PEPYVTNPZILLFR-OAHLLOKOSA-N 379.464 2.528 0 40 GFAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@H](C)c2ccccc2Cl)CC1 29689535 ZKXKUIYPOQXQAV-KGLIPLIRSA-N 389.935 2.613 0 40 GFAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1nc(C)cs1 29886056 AVPBGVMSFQZFMF-OAHLLOKOSA-N 378.473 2.875 0 40 GFAB COc1ccc([C@@H](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)NC(C)=O)cc1 31235621 PXLHYUBULUORQD-XMSQKQJNSA-N 395.503 2.905 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc(C)cc1 32821118 AHMLHGNOVRFMDA-GOSISDBHSA-N 393.443 2.516 0 40 GFAB O=C(c1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1)N1CCCC1 32908982 RIFLVXGBKYEAQO-UHFFFAOYSA-N 393.535 2.547 0 40 GFAB Cc1cc([C@@H](C)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)s1 40074213 NGLSJDLBDQRAGO-OAHLLOKOSA-N 397.500 2.614 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)cc1OC(F)F 40086268 UKPMXJHGFSETTL-GFCCVEGCSA-N 378.441 2.705 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(C(=O)N2CCCCCC2)cc1 40154267 NFEQFVAZECZEGN-INIZCTEOSA-N 397.475 2.731 0 40 GFAB COCc1nn2c(ncc3c(=O)n(NC(C)=O)ccc32)c1-c1ccc(Cl)cc1 40397873 BZBHQAQUKAAVIC-UHFFFAOYSA-N 397.822 2.601 0 40 GFAB COc1cccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1 41153477 SWUVAFPJNRDZMR-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1C 43941544 MTPBFAVCHASUJO-UHFFFAOYSA-N 388.512 2.578 0 40 GFAB O=C(Nc1ccccc1-n1cc(Br)cn1)N1CCC(CO)CC1 47567765 BWOCYTGAICCXOQ-UHFFFAOYSA-N 379.258 2.871 0 40 GFAB CN(C)[C@H](CNC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccco1 48380387 UKXSSTZLCISSMG-LJQANCHMSA-N 379.460 2.972 0 40 GFAB C[C@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc(NS(C)(=O)=O)cc1 53124378 UAJSEZOLZGOQCZ-NSHDSACASA-N 392.868 2.850 0 40 GFAB COc1ccc(C(=O)NCC(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 54031163 HRHGCOHIQTVWHK-UHFFFAOYSA-N 396.365 2.639 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1C 58265994 FKXPVBGWROEUHK-UHFFFAOYSA-N 376.420 2.979 0 40 GFAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@H]2C[C@@H](C)OC2=O)c1 60891303 VCBKWKURCARYPM-DOMZBBRYSA-N 375.450 2.532 0 40 GFAB O=C(c1ccncc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205995 KFCDBXUTIJLQND-UHFFFAOYSA-N 378.388 2.880 0 40 GFAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 67285537 CMPXONUQKAAQKP-KRWDZBQOSA-N 377.872 2.853 0 40 GFAB Cc1ccccc1C[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 67807867 UZVMDLPNQNRJSO-IVZQSRNASA-N 397.450 2.649 0 40 GFAB C[C@H]1CN(CC2CCN(CCCn3c(=O)oc4ccccc43)CC2)C[C@H](C)O1 69016717 YXOHWNVJKLOVPI-ROUUACIJSA-N 387.524 2.806 0 40 GFAB COc1cc(OC)c(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)c(OC)c1 71805085 RYOULNBEMCFPEA-UHFFFAOYSA-N 396.447 2.840 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CCOCC2)cc1 72216231 DEWFFRURMXJCAN-LJQANCHMSA-N 387.505 2.752 0 40 GFAB CCOC(=O)C[C@@H](c1cccc(OCC(C)C)c1)c1oc(CO)cc(=O)c1O 72324604 SIFIPLXTHBUXAL-KRWDZBQOSA-N 390.432 2.958 0 40 GFAB biogenic COc1ccccc1NC(=O)C(=O)NCCN1CCC(c2cccs2)CC1 77104269 BRLWHAYCLJUNIQ-UHFFFAOYSA-N 387.505 2.691 0 40 GFAB CC(=O)[C@@H]1CC(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)=NN1c1ccccc1 89522660 OHAFJLOJFIBFHZ-OALUTQOASA-N 379.464 2.914 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)NCCc1ccccc1 95348730 HMWOWMGMJOZFDC-HSZRJFAPSA-N 391.471 2.733 0 40 GFAB CCOC(=O)[C@H]1CCC[C@H]1N1CCN(C(=O)c2ccccc2OC(F)F)CC1 95457031 PLGZVAHRVFBJIG-GOEBONIOSA-N 396.434 2.778 0 40 GFAB O=C(C1CCC1)N1CCN(CCN[C@@H](CCc2ccccc2)C(F)F)CC1 95467440 XLOFUCSPYGJGTC-IBGZPJMESA-N 379.495 2.787 0 40 GFAB Cc1cccc(OC2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)n1 96119512 AWIVLLOLHOIZRV-KRWDZBQOSA-N 379.460 2.813 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244083 GZKGNJBJCYBRDU-QFIPXVFZSA-N 378.476 2.542 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@H](OCCO)c2ccc(C)cc2)cc1F 96338089 PDDVONFYTNZAHU-LJQANCHMSA-N 397.468 2.561 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(F)cc1 96518282 GHCXLGXQHAHLSC-SNVBAGLBSA-N 390.601 2.771 0 40 GFAB C[C@@H](C(=O)NC(C)(C)COCc1ccccc1)N1C(=O)c2ccccc2C1=O 96561631 IIZUVTVJYDPCHB-HNNXBMFYSA-N 380.444 2.783 0 40 GFAB COc1ccc(S(=O)(=O)N2CC(NC3CC(c4ccccc4C)C3)C2)cc1 97162387 FRYCPYLYROLHPO-UHFFFAOYSA-N 386.517 2.912 0 40 GFAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@H]2C1=O 100072866 OKRXCIMJRILWME-SJLPKXTDSA-N 397.818 2.672 0 40 GFAB O=C1C[C@H](n2nc(-c3ccccc3Br)oc2=S)[C@@H]2CO[C@@H]1O2 100995044 PWQGUYBBFKDPCJ-XHVZSJERSA-N 383.223 2.890 0 40 GFAB O=c1c(CN2CCSCC2)coc(O)c1CN1CC[C@@H](c2ccccc2)C1 101408759 DGQQBHFIDFLRLZ-QGZVFWFLSA-N 386.517 2.884 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc(Cl)c1Cl 102590054 VHQHLRDEWOJBSN-BYTLFHSLSA-N 391.254 2.985 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@H]2c2cn(C)nc2C)c(C)c1 104611410 YPLKRHLKVXCGEZ-QGTPRVQTSA-N 379.468 2.595 0 40 GFAB CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 106394554 HICNNYGZXMAYDP-GOSISDBHSA-N 394.475 2.661 0 40 GFAB O=C1C[C@@H](n2nc(-c3ccncc3)n(-c3ccccc3)c2=S)[C@H]2CO[C@H]1O2 109066300 TUNWGBYRKYKSIH-KYJSFNMBSA-N 380.429 2.721 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)C[C@@H](SC(=S)N3CCCCC3)C2=O)cc1 113564664 ATPFOYRBENNFSD-OAHLLOKOSA-N 392.502 2.748 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ncc(-c2ccc(F)cc2)o1 206588165 CXLVASLFBWAZQB-UHFFFAOYSA-N 382.395 2.642 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218429529 BXDKZJQBEPJDEQ-ZIFCJYIRSA-N 393.892 2.849 0 40 GFAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 219081420 PNEQAPXUIRTCNI-IBGZPJMESA-N 390.505 2.735 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(OC(C)C)cc2)CC1 222622169 DMFAKFUCWIXZDN-UHFFFAOYSA-N 396.553 2.584 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(OC)cc2)ccc1OC 222922954 ABUCFXYAEVQZPA-UHFFFAOYSA-N 392.477 2.669 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)c(C)c1C 224873350 CKVWOYWIXSQRJZ-UHFFFAOYSA-N 395.477 2.816 0 40 GFAB COCCOc1ccc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)cc1 225686048 CXPNXRCEMFERLO-OAQYLSRUSA-N 380.488 2.985 0 40 GFAB O=C(Cc1ccccc1F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 253397517 FTBSVVIYLIXWGE-UHFFFAOYSA-N 395.434 2.828 0 40 GFAB COc1cccc(C(=O)N2CCC[C@](COc3ccccc3)(CC(N)=O)C2)c1 257314741 UYGAOYWRXWECFW-QFIPXVFZSA-N 382.460 2.872 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CC)c(Cl)c1 408618967 HEJHXCYMWURDQC-GFCCVEGCSA-N 376.906 2.712 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409390128 JNILRJUDLUBUPI-UHFFFAOYSA-N 380.441 2.922 0 40 GFAB O=C(c1cnn2ncccc12)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 566003270 PVOCSEVSCNQNGS-MRXNPFEDSA-N 392.337 2.842 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)NCc1ccc3cnn(C)c3c1)CC2 575798367 STNGUZWEOHXVSC-UHFFFAOYSA-N 380.448 2.858 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@@H]2C(=O)N[C@@H]2CCC2(F)F)C1 585107343 SIFBEOKJUBCRCA-HBUWYVDXSA-N 381.423 2.838 0 40 GFAB O=C(c1ccnc(F)c1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 585108508 PKUMBDONBXLHCB-WIYYLYMNSA-N 385.439 2.844 0 40 GFAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@H](OC4CCC4)C3)nn2)cc1 654483125 LTVDVOMEVLDDGL-IBGZPJMESA-N 385.468 2.519 0 40 GFAB COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(O)n(C)c(C)cc1=O 1547208503 KXVNIPPUMOCLAR-INIZCTEOSA-N 395.415 2.677 0 40 GFAB O=C(CN1C(=O)CC[C@@]12CCCN(Cc1cccc(F)c1)CC2)N1CCCC1 1565542994 ULQIQKGRGZDCIH-JOCHJYFZSA-N 387.499 2.795 0 40 GFAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CN2CCOCC2)N1c1ccc(F)cc1 1615158389 MLPUHBPSDZSMAN-OALUTQOASA-N 375.488 2.506 0 40 GFAB C[C@H](C(=O)N1CCC2(CC1)CN(C(=O)c1ccsn1)CCO2)C(C)(C)C 1615611347 KMBIFIYHVXMFKN-CQSZACIVSA-N 379.526 2.659 0 40 GFAB O=C1C[C@@H](CN2C(=O)NC3(CCCC3)C2=O)CN1Cc1ccc(F)c(Cl)c1 2298048631 JWMNKBHCLSXMIM-CYBMUJFWSA-N 393.846 2.692 0 40 GFAB Cc1cccc(-n2c(N)cc(=O)nc2SCc2nc3ccccc3c(=O)[nH]2)c1 1428222 UKTDHZSEPFOEAX-UHFFFAOYSA-N 391.456 2.652 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 2639499 HJQPCSLZYDAEKL-UHFFFAOYSA-N 379.416 2.654 0 40 GFAB COc1cc2c(cc1NC(=O)COC(=O)C1=COCCO1)oc1ccccc12 3322639 WPEOHSLIFJQJBJ-UHFFFAOYSA-N 383.356 2.965 0 40 GFAB Cc1c(NC(=O)CN2c3ccccc3C[C@@H]2C)c(=O)n(-c2ccccc2)n1C 3348146 GQRBHELNGWJFCQ-HNNXBMFYSA-N 376.460 2.874 0 40 GFAB COc1ccc([C@H](CNC(=O)c2cncc(Br)c2)N(C)C)cc1 3422524 OKLINPZPAOUHLX-INIZCTEOSA-N 378.270 2.885 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 3595961 TUQIQWJTECDISC-BBATYDOGSA-N 379.844 2.788 0 40 GFAB COc1cc(OC)cc(C(=O)NCc2nnc(S)n2-c2cccc(C)c2)c1 4059245 QZHDISWGJCSMBJ-UHFFFAOYSA-N 384.461 2.812 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)N3CCc4ccccc4C3)CC2=O)cc1OC 4374569 LXSKOWDZTYZYCM-KRWDZBQOSA-N 395.459 2.577 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NCCc1ccccc1 4377041 IJAIKJZUELDZSH-UHFFFAOYSA-N 390.472 2.637 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1nccs1 4940104 ISLDHEKSHGMGIT-UHFFFAOYSA-N 388.474 2.561 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 4984834 CTNQQRSQIBBJOE-IBGZPJMESA-N 377.444 2.839 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 5030234 AAQVKHQVULCETJ-SFHVURJKSA-N 384.388 2.622 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 5958718 YBYAKEMUBNDXCE-HZPDHXFCSA-N 382.460 2.902 0 40 GFAB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc2ccccc2c1O)c1ccccc1 6122056 NXIBCDBCOADWFU-SFHVURJKSA-N 378.384 2.899 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1 6485907 JXLJQPJMUXSDJV-UHFFFAOYSA-N 379.359 2.812 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6681728 OTUGCQUAOKJLCV-JTQLQIEISA-N 382.463 2.775 0 40 GFAB Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccco1 6846975 MUBUJVAUMPUZTO-INIZCTEOSA-N 384.461 2.767 0 40 GFAB Cn1c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc21 6974823 SXRVCQCPNGOYTD-UHFFFAOYSA-N 375.475 2.920 0 40 GFAB CSCC[C@H]1NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 7652935 MFRZWTKVUIDIMJ-QGZVFWFLSA-N 397.500 2.566 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 8481189 WIFMASPOFKHPPC-JAMKOXHTSA-N 376.478 2.651 0 40 GFAB biogenic COc1ccc(/C=C/C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)N(C)C 8708236 BJBMWJOSXKRYPF-CSKARUKUSA-N 394.518 2.679 0 40 GFAB C[C@H]1CCCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 8708636 VVNGIZXKLQYQMO-ZDUSSCGKSA-N 387.933 2.651 0 40 GFAB COc1cccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)c(C)c3)OC2=O)c1 8838835 SKZRZKHJIWLWRK-KRWDZBQOSA-N 390.461 2.616 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 9250890 HXLUUGJZOUYDAW-NSHDSACASA-N 380.495 2.662 0 40 GFAB CC(=O)N[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccccc1 9384789 CGDRYAJGVJVNBF-WBMJQRKESA-N 389.839 2.873 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)Nc1nccs1 9659327 MOHQHBCANZKNHS-UHFFFAOYSA-N 388.430 2.762 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)[nH]2)cc1 10475511 JLIYLUUJMHIWIJ-UHFFFAOYSA-N 398.444 2.998 0 40 GFAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 12227615 ZCHCRWGARMOULP-UONOGXRCSA-N 384.548 2.738 0 40 GFAB Cc1cc2c(cc1C)C(=O)NC[C@H](C(=O)NCCc1c[nH]c3ccccc13)O2 12235599 FNKMWRUGMODFCU-HXUWFJFHSA-N 377.444 2.634 0 40 GFAB COc1ccc(CC(=O)NCCN2CCC(O)(c3ccc(C)cc3)CC2)cc1 12326377 XQCPIPKLUHKQPD-UHFFFAOYSA-N 382.504 2.646 0 40 GFAB Cc1cccc(CC(=O)N2CCC(n3nnc4c(O)nc(C5CC5)nc43)CC2)c1 12337056 BNLKWFXWQFIRAY-UHFFFAOYSA-N 392.463 2.519 0 40 GFAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1Cc1cccnc1 12406709 CWHQKPQFKBQMLR-UHFFFAOYSA-N 389.440 2.842 0 40 GFAB O=C([C@H]1Cc2ccccc2CN1C(=O)COc1cccc(F)c1)N1CCCC1 12777027 BOQTXZVESCLYPI-HXUWFJFHSA-N 382.435 2.780 0 40 GFAB O=C(NCc1ccccc1)NCc1ccccc1S(=O)(=O)N1CCCCC1 12897596 MWKGGFVUWJOEGW-UHFFFAOYSA-N 387.505 2.861 0 40 GFAB CN(CCCC(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1cccs1 12929420 DQXSYXHLCGBSQP-OAHLLOKOSA-N 394.518 2.789 0 40 GFAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cnc21 12997956 GFZYFUITQLWYQR-QGZVFWFLSA-N 377.448 2.999 0 40 GFAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580845 JIHOFODHLWPXBZ-AWEZNQCLSA-N 386.489 2.541 0 40 GFAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)C3CCCCC3)ccc21 13693286 ZZHIHVBEXUPXMO-GOSISDBHSA-N 384.480 2.887 0 40 GFAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 13695712 CUFHUCDMVDOQKU-LJQANCHMSA-N 384.407 2.911 0 40 GFAB COc1cc(C)c(CSCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC 14077319 DIVHEJBVCQAGHT-UHFFFAOYSA-N 399.476 2.860 0 40 GFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16025177 YYRKTOXXDWIDNM-VJRXPSPPSA-N 389.883 2.515 0 40 GFAB O=C(O)c1cc(O)nc2ccc(Cc3ccc4[nH]c(=O)cc(C(=O)O)c4c3)cc12 16431143 GUSNVXFVIGUUGK-UHFFFAOYSA-N 390.351 2.769 0 40 GFAB COc1ccc([C@@H]2CN(Cc3cccnc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285518 GZHKUSHNFCNASF-VQTJNVASSA-N 376.460 2.865 0 40 GFAB COc1cccc(CN2CCC[C@@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC 19567914 JESSVTLLUJSAGT-MRXNPFEDSA-N 394.479 2.665 0 40 GFAB COc1ccc(-c2ccnc3c(C(=O)N[C@@H](C)c4cnn(C)c4C)cnn23)cc1 19719041 RWGXGKJAIWPONE-ZDUSSCGKSA-N 390.447 2.938 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1c(F)cccc1F 19930575 IZPYBHFEUCQIDH-UHFFFAOYSA-N 380.416 2.977 0 40 GFAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20044869 AGCOYFDVOVIPMC-DNVCBOLYSA-N 388.489 2.708 0 40 GFAB O=S1(=O)CC[C@@H](N2CCN(Cc3ccccc3Oc3ccccc3)CC2)C1 20955380 XWPNOZUOIATOQT-LJQANCHMSA-N 386.517 2.784 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 21094272 CXXOJAVJBLBHLL-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB CCc1ccccc1NC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 23127802 PMLIIUNBTMHSLG-NRFANRHFSA-N 395.503 2.767 0 40 GFAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@@H]1c1cc(OC)c(OC)cc1OC 24274504 JTGDXCVDFFLXHL-QGZVFWFLSA-N 392.477 2.553 0 40 GFAB C[C@H](CNC(=O)[C@H](C)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 24669984 MFAOHWGSGKMREO-SJORKVTESA-N 385.533 2.814 0 40 GFAB COc1cc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)n2N)ccc1C 27643518 DBTKUSABRPJQKW-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB O=C(c1ccccn1)N1CCN(C(=O)c2ccc(Br)s2)CC1 30449592 KOZBXUVTQZAGNX-UHFFFAOYSA-N 380.267 2.504 0 40 GFAB COc1ccccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 31666914 UOYSXEIZIYJLRI-GOSISDBHSA-N 376.884 2.911 0 40 GFAB O=C(CCc1ccccc1)Nc1nc2ccccc2n1CCN1CCOCC1 32501863 MGMPFRGAUZTLOM-UHFFFAOYSA-N 378.476 2.940 0 40 GFAB CCN(CCNC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccc(C)c1 32732079 IQSFVVFOTBJUFD-UHFFFAOYSA-N 375.494 2.623 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 32895159 RLKYNGICCFHNME-MRXNPFEDSA-N 379.416 2.918 0 40 GFAB CC(C)CC(=O)N1CCN(C(=O)COc2cccc(Oc3ccccn3)c2)CC1 32909737 PCNUUIAIIHUHEV-UHFFFAOYSA-N 397.475 2.970 0 40 GFAB COc1ccccc1CCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 32916615 AJQUUJZEQWJCKU-UHFFFAOYSA-N 382.441 2.935 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@H]2c2cc(C)no2)c(C)c1 32932774 MSSUAEDWUMNTSU-KRWDZBQOSA-N 384.480 2.800 0 40 GFAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CCC[C@@H]1C(=O)O 35686301 QNSKHPWRZZSWJY-SJKOYZFVSA-N 385.416 2.515 0 40 GFAB CCCc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)sc1C 36407981 NPPQKFBCFDROTN-UHFFFAOYSA-N 390.509 2.702 0 40 GFAB Cc1cc(NC(=O)c2nc3ncccn3n2)nn1Cc1c(F)cccc1Cl 36618713 INSVOQRAOIRJHE-UHFFFAOYSA-N 385.790 2.722 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 40017352 JCNUXMCKIWTXKX-AWEZNQCLSA-N 375.412 2.821 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1nnc(C)s1 40082097 PMXHSAHFJDAYCG-LBPRGKRZSA-N 380.857 2.752 0 40 GFAB COc1cc(C(=O)N[C@@H](C)Cn2cncn2)cc(OC)c1OCc1ccccc1 40119726 XRVFSIMANAFFKP-HNNXBMFYSA-N 396.447 2.693 0 40 GFAB O=C(NCCNC(=O)c1nc2ccccc2s1)c1ccc(Br)o1 40286452 QPVJUPGHZIXJGV-UHFFFAOYSA-N 394.250 2.812 0 40 GFAB Cc1cccc(C)c1OC[C@@H](O)CN1CCN(Cc2cn3ccccc3n2)CC1 46055014 MJDIWMVEEDQWRS-NRFANRHFSA-N 394.519 2.509 0 40 GFAB C[C@H](C(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 47657676 UBQWUYBOSDWFDL-SECBINFHSA-N 378.397 2.641 0 40 GFAB C[C@H]1CN(S(=O)(=O)CCNCc2cccc(Cl)c2Cl)C[C@@H](C)O1 48783573 YMZNYHSEYIGZQS-TXEJJXNPSA-N 381.325 2.522 0 40 GFAB CCCCN(C(=O)/C=C/c1c(Cl)nc2ccccn12)[C@@H]1CCS(=O)(=O)C1 54816550 IMXJRRPXJGQBNH-HSBSLETESA-N 395.912 2.817 0 40 GFAB CN(c1ccccc1)C1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 57090105 VZMFUILZOBZUED-UHFFFAOYSA-N 378.476 2.957 0 40 GFAB CN1C(=O)c2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2C1=O 58158808 COEHDFRSSWTWEB-MRXNPFEDSA-N 394.431 2.521 0 40 GFAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1nc(-c2ccccc2)c[nH]1 58201101 CBCTVIZXVQAEHY-CQSZACIVSA-N 375.432 2.608 0 40 GFAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1cccc(F)c1 67336818 ZAFORCUQQTXYIC-UHFFFAOYSA-N 386.358 2.520 0 40 GFAB CSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72393027 YUVMSUACHIXYBZ-MRXNPFEDSA-N 394.504 2.723 0 40 GFAB CC(C)Oc1cccc(CC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1 78647957 SAIPYVYXZGGXIJ-SFHVURJKSA-N 376.522 2.583 0 40 GFAB CO[C@@H](C)c1noc(CCC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 79016250 FUCUOWAZKCCCDG-SWLSCSKDSA-N 379.844 2.963 0 40 GFAB CCOC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(C(=O)O)c1 79103135 ZBLBDYIXPHJXCX-UHFFFAOYSA-N 389.429 2.703 0 40 GFAB Cc1cccc(N2N=C(C(=O)NCCc3cnc(C4CC4)nc3)CCC2=O)c1 89672710 OISIYNQLAWWOSQ-UHFFFAOYSA-N 377.448 2.504 0 40 GFAB O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 89781053 ZLNHYEVQQZUZKE-RTBURBONSA-N 392.521 2.549 0 40 GFAB CC(C)(C)OC(=O)N1CCC(N2C=C(I)C=CN2)CC1 91353256 LQHGDQWPWOCYLF-UHFFFAOYSA-N 391.253 2.996 0 40 GFAB CC(C)n1ccc2c(C(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)cccc21 95480413 ZCCBPHRTHBNGDG-UHFFFAOYSA-N 390.443 2.655 0 40 GFAB COC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3nc2N2CCCC2)C1 95957369 RWLLCJGVSRTHKD-INIZCTEOSA-N 382.464 2.796 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)COc3cccc(C)c3)ccc2NC1=O 96182212 GFUHITQMHGAONW-OAQYLSRUSA-N 398.415 2.665 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 96220896 UPLVZOKPZTVHHS-APWZRJJASA-N 379.460 2.635 0 40 GFAB biogenic CC1=C/C(=C2/C(=O)NC(=S)N=C2O)C=C(C(F)(F)F)N1Cc1cccnc1 96305801 FLMHZUQTOUSTLW-UHFFFAOYSA-N 394.378 2.915 0 40 GFAB COc1ccccc1CCN(C(C)=O)[C@@H]1CC(=O)N(c2ccccc2C)C1=O 100752167 IBCSSPLDNNVVHY-LJQANCHMSA-N 380.444 2.727 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1C=C[C@H]2C1 100924272 ZHIKENOIXWFNSP-VDUILEQBSA-N 385.773 2.973 0 40 GFAB CCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(OC)c3)[C@H]2C1=O 101128996 NYPLHDDUBFFRLX-QRVBRYPASA-N 382.416 2.657 0 40 GFAB COC1=C(Nc2ccncc2)/C(=C(\C)[N+](=O)[O-])c2ccccc2[C@@H](C(=O)O)N1 103542531 HHMXIEOJMLXJHF-SFKKXYGYSA-N 382.376 2.746 0 40 GFAB CCOc1ccc(NC2=N[C@@H](c3ccncc3)n3c(nc(C)cc3=O)N2)cc1 104017304 MNZHYQOUIHXLQK-GOSISDBHSA-N 376.420 2.786 0 40 GFAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(F)c(Br)c2)s1 105741235 KPZYMCYWBBYTQN-FHGRNIPQSA-N 384.270 2.563 0 40 GFAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870736 ILRWDUJSXCFNAG-UHFFFAOYSA-N 394.424 2.543 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 222961827 KXFSENISYOSEEH-LJQANCHMSA-N 396.487 2.944 0 40 GFAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1S(N)(=O)=O 223039639 SYMBRNJFJNMTLU-UHFFFAOYSA-N 396.468 2.862 0 40 GFAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1cccc(Br)c1 223316758 SPOAANLOZHMDFP-UHFFFAOYSA-N 383.223 2.993 0 40 GFAB COc1ccc(N(CC(=O)NCC2CCCCC2)S(C)(=O)=O)cc1Cl 223687121 ZMRIWESLRPHOTC-UHFFFAOYSA-N 388.917 2.811 0 40 GFAB COc1cc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)cc1Cl 224845905 OHFYIUJYTQCNKZ-UHFFFAOYSA-N 399.852 2.954 0 40 GFAB CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(F)c1 225099766 QGQLZRLBEFURDT-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB Cc1cccc(CSCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 225418948 XTGLUPSWMJYKHY-UHFFFAOYSA-N 392.546 2.909 0 40 GFAB COc1cccc(-c2noc(CNC(=S)Nc3ccc4c(c3)OCO4)n2)c1 225822132 SZTYRUBWQJCLKN-UHFFFAOYSA-N 384.417 2.961 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)C)CC2)[C@@H]1c1ccccc1F 257215855 CRYHGIWLWNZHFH-XLIONFOSSA-N 375.488 2.678 0 40 GFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 257316650 VGLVEJVBSYFSEE-ZVDSWSACSA-N 379.455 2.943 0 40 GFAB COCCN1CC[C@@]2(CN(Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306129921 IQQLTRAKSMRJIT-RXVVDRJESA-N 386.496 2.522 0 40 GFAB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1C(C)C 409142361 YKGOJIIMBDLGAX-MHWRWJLKSA-N 391.493 2.581 0 40 GFAB CN1C[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)C1=O 462223822 QQUIJQWFHHRTHF-ARFHVFGLSA-N 383.414 2.670 0 40 GFAB COCCn1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 509237999 WZHJWPKFXSJQLC-UHFFFAOYSA-N 379.342 2.986 0 40 GFAB O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@@H]1COc1ccc(F)cc1 510795468 FNEKLCHYQMSKFL-CYBMUJFWSA-N 389.399 2.519 0 40 GFAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NC[C@H]1CCS(=O)(=O)C1 524732482 HYDFHLFDJFHIQH-PBHICJAKSA-N 380.897 2.672 0 40 GFAB COc1ccc([C@@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C(=O)O)cc1Cl 569366933 QKYRKAPZHKLUGJ-QLJPJBMISA-N 377.828 2.683 0 40 GFAB COc1nc(CNC(=O)CCc2ccc(F)c(Cl)c2)nc(N2CCCC2)n1 575604176 TZHMSWLQEMKBMR-UHFFFAOYSA-N 393.850 2.522 0 40 GFAB Cc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc(C)n1 577832584 NKKHNNVWBVCYPR-OAHLLOKOSA-N 386.418 2.984 0 40 GFAB COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 592199197 SOCBPGNMVWDSSM-ZWKOTPCHSA-N 382.460 2.538 0 40 GFAB COc1ccc2c(c1)[C@@H](C(=O)N1CCC(n3cc(C(=O)O)cn3)CC1)CCC2 656253681 ZRWSYYOGYBMAKS-SFHVURJKSA-N 383.448 2.874 0 40 GFAB Cc1ccsc1CCC(=O)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888869533 OKCDQNMTKMKGTC-UHFFFAOYSA-N 390.484 2.850 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cc(C(C)(C)C)n[nH]5)C[C@H]4C3)n1)CCC2 1888879148 VZNGPEGAMCQAQN-HUUCEWRRSA-N 394.523 2.503 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@@H]3C[C@@]32C(=O)N2CCCC2)c(C)cc1Cl 2056225254 NGIIKSBBEQYTHF-KDOFPFPSSA-N 382.913 2.732 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 800428 SHVLPUZIAKPXJF-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 845658 NNACUDXXFBCJGZ-LJQANCHMSA-N 397.431 2.979 0 40 GFAB COc1ccc(NC(=S)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 1443239 JRPXHTVCWQSYTE-UHFFFAOYSA-N 396.516 2.821 0 40 GFAB NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 2328005 SQSWXYRLDCOQAC-UHFFFAOYSA-N 378.841 2.729 0 40 GFAB Cc1nn([C@@H](C)C(=O)Nc2cnn(CC(F)(F)F)c2)cc1Br 2785109 KKHGAYLZZAWXJH-QMMMGPOBSA-N 380.168 2.913 0 40 GFAB CC[C@@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 3446603 JMLUVSGEFFHXIF-MRXNPFEDSA-N 398.415 2.843 0 40 GFAB CCCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1 4814765 ZSINSGMCCDOFIW-UHFFFAOYSA-N 388.522 2.941 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1OC 5329546 ZENNGXZLYSBFSH-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB O=S(=O)(c1ccc(NC(=S)NCc2cccnc2)cc1)N1CCCCC1 5581126 NIADLWNDYLCGNO-UHFFFAOYSA-N 390.534 2.743 0 40 GFAB in-vitro Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1F 5792126 HHWVDYSPIWAYCR-IBGZPJMESA-N 391.349 2.818 0 40 GFAB CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/C)NCc2ccccc2)C1=O 5799703 RKLSXTTUFPCFAB-NBVRZTHBSA-N 379.416 2.732 0 40 GFAB O=C(OCc1nc2ccccc2o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6083163 HMFRVTIEVQCTHI-UHFFFAOYSA-N 386.429 2.969 0 40 GFAB Cc1cnc(C(=O)OCc2nnc(-c3ccccc3Br)o2)cn1 6348661 MFEMYRDOPGEFDC-UHFFFAOYSA-N 375.182 2.955 0 40 GFAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 6357935 RAWWKVXGIOWZBE-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@@H](O)c1ccccc1 6658798 SNGCCCSOKLHBSG-HXUWFJFHSA-N 393.439 2.900 0 40 GFAB Cc1ccc(Cn2nccc2NC(=O)C2=NN(c3ccccc3)C(=O)CC2)o1 6669674 WWSYGBJGTRHMMP-UHFFFAOYSA-N 377.404 2.954 0 40 GFAB CCCNc1nnc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 7873507 ZNTAVLBMHVJURR-MRVPVSSYSA-N 378.483 2.649 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)c1 7940125 RQIDRVGFOFGGRD-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COCCCNC(=O)NC(=O)COc1ccc2cc(Br)ccc2c1 8751321 VQSGOSRCUUVRNB-UHFFFAOYSA-N 395.253 2.843 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 9250876 ZGVAZOAOMKDAEL-UHFFFAOYSA-N 380.495 2.519 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CCCCCC1 9691345 BVWWVIXOUYYPEE-UHFFFAOYSA-N 394.415 2.703 0 40 GFAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 10008817 HLWUALYPPGNJRA-UHFFFAOYSA-N 376.478 2.980 0 40 GFAB NC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1 10846026 YQXQHBUNYKZVQZ-UHFFFAOYSA-N 380.448 2.509 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1 11615616 OIIQDMUGJCOMSC-UHFFFAOYSA-N 396.266 2.813 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2cccc(C)c2)NC(=O)N3)cc1 12346233 DPYFLILBNHZQQQ-HXUWFJFHSA-N 377.444 2.697 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(OC)c1 12523257 SERYHVJQZVXABF-UHFFFAOYSA-N 377.466 2.630 0 40 GFAB O=C(CCN1CCCc2ccccc21)NC(=O)Nc1ccc2c(c1)OCCO2 12527501 KMZQTNROCSNIKJ-UHFFFAOYSA-N 381.432 2.949 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 12749207 MBEJXAJNQDETRY-CQSZACIVSA-N 389.477 2.674 0 40 GFAB O=C(NCCCc1nc2ccccc2[nH]1)C1=NN(c2ccccc2)C(=O)CC1 12754765 MTWNGDZCIGRZND-UHFFFAOYSA-N 375.432 2.795 0 40 GFAB Cc1sc2nc(CS[C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 12817947 ZVGOGACQKDCXAV-GIPNMCIBSA-N 395.550 2.859 0 40 GFAB COc1ccccc1CN(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 12912280 UXUUPJJLRGAGQB-UHFFFAOYSA-N 385.855 3.000 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 13098129 VLXSQSINDQBIOU-FOIQADDNSA-N 390.915 2.920 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)c1ccc(N2CCCC2=O)cc1 14129139 JNELKGRPHFPTIR-UHFFFAOYSA-N 399.501 2.885 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 15544335 NQFAAGPLBSVABW-UHFFFAOYSA-N 389.521 2.750 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1Cc1ccc(I)cc1 16383313 OEDCLHKPZZFZSE-NEBZKDRISA-N 393.224 2.988 0 40 GFAB COc1ccccc1-n1c(=S)[nH]c(O)c([C@H]2NCCc3ccccc32)c1=O 17197314 VERGXPPEFDEVPB-KRWDZBQOSA-N 381.457 2.844 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)C4[C@H]5CCCC[C@@H]45)[C@H]3C2)cc1 19211702 KSNKIAWTWOYTQJ-NLAPULOJSA-N 388.533 2.556 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)NCCN4CCCCC4)[C@@H]31)O2 19218073 RCBWNGNACAEJIX-SUIZVZERSA-N 382.504 2.957 0 40 GFAB COc1c(C)cccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19235832 CLWOUHQWJJYUBK-INIZCTEOSA-N 380.492 2.801 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 19558994 SBLBMEPRODOLCV-UHFFFAOYSA-N 386.883 2.804 0 40 GFAB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)cc1 19655298 CFVXNLBIJAZSSY-HXUWFJFHSA-N 381.388 2.548 0 40 GFAB CN1CCc2nnc([C@@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)n2CC1 19710773 XPYHPVFIURQDGM-KRWDZBQOSA-N 398.511 2.779 0 40 GFAB CCc1nn(C)c(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c1C 19712642 FLILDWOLHKBKAJ-DSKINZAPSA-N 394.519 2.958 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 21555697 ZUCAHQDNLXQUNV-UHFFFAOYSA-N 384.480 2.771 0 40 GFAB Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)n1 22690734 PDUGYACZOQYHDJ-LBPRGKRZSA-N 385.536 2.861 0 40 GFAB CS(=O)(=O)N1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 23881237 SSWLLQDKXWOABG-FQEVSTJZSA-N 397.500 2.669 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 24611813 WRILZPKNCZODGV-UHFFFAOYSA-N 378.538 2.939 0 40 GFAB CN1CCN(C(=O)CCCn2c(=O)oc3ccccc32)[C@@H](c2ccccc2)C1 30029534 GOADWKOFJWTAFS-LJQANCHMSA-N 379.460 2.890 0 40 GFAB O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc2c(c1)OCO2 30903940 POHPWGONSWJLCW-GOSISDBHSA-N 389.411 2.587 0 40 GFAB biogenic O=C(Nc1nc2c(s1)CCCC2)C1=C(c2ccccc2)S(=O)(=O)CCO1 31811794 JFCMPXMGRHENJL-UHFFFAOYSA-N 390.486 2.774 0 40 GFAB NC(=O)CCc1nnc(SCc2cccc(Cl)c2)n1C[C@H]1CCCO1 32895040 NKVJSQFXCAJDLT-CQSZACIVSA-N 380.901 2.821 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3cc2OC)NC(=O)N[C@H]1C 32896031 GJVUYQFWALFCKC-LBPRGKRZSA-N 398.415 2.524 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)ccc21 32987935 OYGMIPBURHITNJ-GOSISDBHSA-N 393.443 2.696 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21 33170710 NBAZAMRMEWZUQX-OAHLLOKOSA-N 398.484 2.749 0 40 GFAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccccc1F 33171846 PADSWFABJYYHNE-UHFFFAOYSA-N 384.436 2.724 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 33779380 HDFBMWPDLWFZBA-UHFFFAOYSA-N 384.505 2.574 0 40 GFAB CCn1ccc([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36618894 WWPPXHVBOYUMCZ-LBPRGKRZSA-N 379.399 2.638 0 40 GFAB Cc1c(O)ccc2c(CSc3nnc(SCC(N)=O)s3)cc(=O)oc12 36849448 OSRSUCUZRSYAST-UHFFFAOYSA-N 395.487 2.528 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cn2c(C)nc3ccccc32)CC1 38488526 OFDIXTBIWSRJFU-UHFFFAOYSA-N 387.509 2.786 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(Cc2cccc(Cl)c2)CC1 39990604 SRAVNTDFTMCOBS-MRXNPFEDSA-N 389.931 2.835 0 40 GFAB O=C(NCCCN1CCc2ccccc21)[C@@H]1CC(=O)N(c2ccccc2F)C1 40060563 JHHPPBWUCSEELP-QGZVFWFLSA-N 381.451 2.748 0 40 GFAB COc1c(Cl)cc(C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1Cl 40135113 GWBUTYYRKKAMFV-UHFFFAOYSA-N 399.278 2.517 0 40 GFAB COc1cc(CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)ccc1OCCC(C)C 46724514 ORZDVKGPKIRMCK-NVXWUHKLSA-N 376.497 2.899 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2CCN(CCc3ccccc3)CC2)n1 47096226 BQAPWTRRVMJZFC-GOSISDBHSA-N 383.540 2.706 0 40 GFAB O=C(NCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1 52936160 AZEUIUFFKJUSBS-QPJJXVBHSA-N 395.478 2.803 0 40 GFAB Cc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)ccc1N1CCNC1=O 53811277 BBQUDRMMDMAXPV-UHFFFAOYSA-N 389.459 2.699 0 40 GFAB O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 56046793 ICSRUQWOUHCUTN-GOSISDBHSA-N 380.510 2.593 0 40 GFAB COc1cccc(/C=C/C(=O)NCCc2cccc(C(N)=O)c2)c1OC(F)F 58245089 HCMLIOUKPYTWNN-CMDGGOBGSA-N 390.386 2.768 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022675 UMLMMROFHRKIKH-MRXNPFEDSA-N 388.475 2.857 0 40 GFAB COc1ccccc1-n1ccn(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c1=O 67256320 CGPZSYYCUUTHAE-UHFFFAOYSA-N 393.443 2.572 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)NCc3ccccc3Cn3cccn3)C2)n1 69418781 SLZMOWZCIWAHJZ-SFHVURJKSA-N 380.452 2.712 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4ncccc4C)C3)ncn2)n1 70656059 CNCISCFWZRMFAX-KRWDZBQOSA-N 391.479 2.838 0 40 GFAB CCOC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OCC)C1 70924415 XFUMJTGPCNISDD-IEBWSBKVSA-N 388.508 2.965 0 40 GFAB COCc1cc(N2CCOCC2)nc(C2=CCN(Cc3cccc(F)c3)CC2)n1 72339649 HCSZQVNSLPZNRL-UHFFFAOYSA-N 398.482 2.888 0 40 GFAB Cc1[nH]nc2cc(NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)ccc12 93909426 USHVINKRZBLPOO-UHFFFAOYSA-N 376.825 2.820 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)c2)n1 95367854 YNXQYKPVFMJEQD-YJYMSZOUSA-N 377.400 2.912 0 40 GFAB CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4cccs4)cn23)CC1 96155969 OPTYEDJSAHXSDI-UHFFFAOYSA-N 382.489 2.599 0 40 GFAB Cn1nc(C(=O)N2CCC[C@]3(COCCN(CC4CC4)C3)C2)c2ccccc21 96228793 RXKIBWDDAYBQNB-JOCHJYFZSA-N 382.508 2.538 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 100033415 RRACYGINEVLGTQ-SJORKVTESA-N 397.822 2.580 0 40 GFAB Cc1cccc(CCC(=O)N2CCC[C@H](c3cc4nc(C)cc(O)n4n3)C2)n1 100137946 FEQVURHDWGBJDN-INIZCTEOSA-N 379.464 2.786 0 40 GFAB COCCCNc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101311041 CMBTUTCYOMITKY-JZKLMSCQSA-N 395.887 2.581 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 113943304 SSHBAGZNGMFLDU-UHFFFAOYSA-N 394.424 2.739 0 40 GFAB O=C(NCc1nc2ccccc2[nH]1)C1CCN(c2cc(C3CC3)ncn2)CC1 206654223 WJEIJFOITJSENW-UHFFFAOYSA-N 376.464 2.763 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217665710 OOWRPSGRQIPPGP-UONOGXRCSA-N 392.477 2.871 0 40 GFAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCCCO)cc1 222991874 FWNPKIAHMXUBCK-SFHVURJKSA-N 398.503 2.544 0 40 GFAB O=S(=O)(CCC(F)(F)F)NC[C@@](O)(c1ccsc1)c1cccs1 238882857 POLFZRKCICAEEZ-GFCCVEGCSA-N 385.454 2.917 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(OC)c1 248077453 HTTLDRDDJCUJHW-GOSISDBHSA-N 382.460 2.677 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)C1 248132835 QVUJKCQDGHPWMF-RKVPGOIHSA-N 398.511 2.801 0 40 GFAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)N(C)Cc3ccccn3)cc2NC1=O 252491534 LNXJESMMPMIEGH-SFHVURJKSA-N 389.477 2.792 0 40 GFAB CCOCCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253596702 VDVSVDCAVITWMQ-DWPZYODISA-N 386.492 2.874 0 40 GFAB CCn1ccc(NC(=O)C[C@@H]2CCCN(C(=O)c3cnc(C(C)C)nc3)C2)n1 257269360 MPQLMASJRMEXMB-HNNXBMFYSA-N 384.484 2.697 0 40 GFAB COCCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3OC)o2)C1 257327245 XAPXRGDYVQPAPF-QGZVFWFLSA-N 388.464 2.643 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)C1 260507937 PBAFMUYSDPIZRO-WBVHZDCISA-N 394.537 2.775 0 40 GFAB CN1Cc2nnc(-c3ccccc3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 306126968 FKNPKKQTVMTQSE-UHFFFAOYSA-N 377.448 2.615 0 40 GFAB O=C(c1ccsc1)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306137546 QZKXEMBIYSYLRX-ZWKOTPCHSA-N 378.457 2.666 0 40 GFAB CC[C@H](C(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1)c1ccccc1 390830745 NBFUVTWNPWMNOO-KRWDZBQOSA-N 392.459 2.854 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1C 408627466 ZXZGQYCBWJJHIK-AWEZNQCLSA-N 392.477 2.708 0 40 GFAB O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCC[C@H]1Cc1cc(F)ccc1F 563524182 NOWYBRPWFANGCL-HNNXBMFYSA-N 399.397 2.614 0 40 GFAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2)N1CCCC1 575405725 ZKSDHXMMGLHDMR-INIZCTEOSA-N 399.516 2.507 0 40 GFAB Cc1nn(C)c(OC[C@@H]2CCCCO2)c1C(=O)NCCc1ccc2c[nH]nc2c1 585081363 MYAPEBPJGQGNDM-KRWDZBQOSA-N 397.479 2.525 0 40 GFAB COc1ccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)cn1 1548348878 UXLLBRVFMOPMJV-UHFFFAOYSA-N 381.432 2.624 0 40 GFAB COc1ccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 1775986143 XKNIQDXMBCJXRM-UHFFFAOYSA-N 395.503 2.612 0 40 GFAB O=S(=O)(c1ccc(Br)cc1)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888888275 NADMAANOQLBTCT-STQMWFEESA-N 385.327 2.554 0 40 GFAB O=C(c1cscn1)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055745670 SLFVYJAAXKRINJ-UHFFFAOYSA-N 388.468 2.648 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 2055746374 VITCUGFSNUKAIL-SOUVJXGZSA-N 398.481 2.590 0 40 GFAB COc1ncccc1C(=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087139730 WJPBUKLRXPOSDK-IUODEOHRSA-N 392.381 2.855 0 40 GFAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NC3CCCCC3)cc2c1 879953 BNOSPHFBYAUNND-UHFFFAOYSA-N 389.521 2.538 0 40 GFAB COc1cc(NC(=O)CSc2nnnn2-c2cccc(F)c2)cc(OC)c1 1353613 VWMCLDPKQOYAPX-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB COC(=O)[C@@](NNc1ccccc1)(NC(=O)c1ccccc1F)C(F)(F)F 2050529 SSHFNERZRVBJNX-INIZCTEOSA-N 385.317 2.604 0 40 GFAB CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 3536783 WGNKXRQMFPBJLJ-HNNXBMFYSA-N 389.521 2.972 0 40 GFAB CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1F 4036116 HUYLRCIUBJXPKB-SFHVURJKSA-N 375.425 2.895 0 40 GFAB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1 4272573 USXXRMPIYOXQMN-KRWDZBQOSA-N 396.466 2.771 0 40 GFAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C(C)C)cc1)C1=C(COC1=O)N2 4496028 GVXCHPBMAQUHBC-MRXNPFEDSA-N 395.459 2.684 0 40 GFAB CCCc1nnc(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1-n1cccc1 4518550 XJZSLGXCRUYNAT-UHFFFAOYSA-N 399.476 2.861 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O 4535718 BSRAGXJNZJMFMY-HYVNUMGLSA-N 378.469 2.943 0 40 GFAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(N2CCCC2=O)cc1 4891037 QAEHHOGTGOQMBI-UHFFFAOYSA-N 378.428 2.555 0 40 GFAB Cc1ccc2nc(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc(=O)n2c1 5428965 PVCWPINFJWKJLK-LJQANCHMSA-N 394.427 2.918 0 40 GFAB O=C(COc1ccc(F)cc1Br)NC[C@@H]1COc2ccccc2O1 5631051 PJTAVACPRHGZFJ-GFCCVEGCSA-N 396.212 2.923 0 40 GFAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 5992175 OOQFNUBUAUSUTP-CQSZACIVSA-N 389.473 2.928 0 40 GFAB Cc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 6207981 RHEICUKEMGAJSQ-UHFFFAOYSA-N 379.338 2.707 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 6578478 IEIVBYCMSONWKH-HNNXBMFYSA-N 379.821 2.984 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(C)s1 6680011 NXWXCIZGOCTNOS-UHFFFAOYSA-N 389.296 2.979 0 40 GFAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)CC(C)C)s1 6818384 QDYUEWTWGJLSBQ-UHFFFAOYSA-N 398.510 2.747 0 40 GFAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422642 LPFRJVTVIZAJSN-UHFFFAOYSA-N 393.447 2.792 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2sccc2C(N)=O)c1 7718316 XWEFMZOVDNIPSF-HNNXBMFYSA-N 389.477 2.640 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2c(F)c(F)cc(F)c2F)cc1 7778092 YGADSVHSUGRIDI-UHFFFAOYSA-N 390.358 2.859 0 40 GFAB COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1 8037731 NEVKWIWSWANNPI-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB C[C@@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccc2c(c1)CCCC2 8133864 LAVYCDOKPPVJII-OAHLLOKOSA-N 391.471 2.836 0 40 GFAB Cc1ccc([C@H](CC(=O)O)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 8135414 KEEUSHFLHOTZMU-SFHVURJKSA-N 393.443 2.886 0 40 GFAB Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164592 UKQWEZROIPGORU-VAWYXSNFSA-N 384.501 2.682 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 8221780 YDKKWXFEOJJAHX-LBPRGKRZSA-N 383.853 2.931 0 40 GFAB O=C([C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCOCC1 9742412 WLWHMWBXDAKAQK-NRFANRHFSA-N 379.460 2.825 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10368296 DZIIQICTIFYFAU-INIZCTEOSA-N 390.505 2.783 0 40 GFAB COc1cc(OC)nc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)n1 11291669 RJJUKBHSEGHJLT-CYBMUJFWSA-N 399.476 2.879 0 40 GFAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 12909423 TUSHDRGVMJQLMF-UHFFFAOYSA-N 394.399 2.827 0 40 GFAB O=C(/C=C/c1ccccc1)NCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 12924611 YZOYRTFVAGMPGN-IZZDOVSWSA-N 392.455 2.643 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3cnc4cc(C)c(C)cc43)CC2)cc1 13063563 FYSAWBIJRCXGSS-UHFFFAOYSA-N 398.532 2.926 0 40 GFAB C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(S(C)(=O)=O)cc1 14123061 BOTOIBZVYRMFEJ-PIGZYNQJSA-N 379.865 2.924 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 14594880 QQEVPRMFUOYQMP-UHFFFAOYSA-N 398.415 2.870 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)Cc1ccccc1-2 15982791 NAGHOOJRXWTZHU-UHFFFAOYSA-N 383.407 2.900 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1 16188230 LQVHHYCSHUUTBI-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC1CCCCC1 16322309 DIROPCZVIGYZCN-OAHLLOKOSA-N 380.510 2.687 0 40 GFAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 17269598 DCAAMGSNGNSFBS-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB O=C(c1ccc(F)cc1)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375661 NNSXUAKSEQODIH-AWEZNQCLSA-N 387.436 2.891 0 40 GFAB O=C(Cc1ccsc1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19406424 GTRCPGNMLQJZRL-UHFFFAOYSA-N 386.502 2.904 0 40 GFAB CCCCn1cc(CN2CCc3[nH]c(-c4ccncc4)nc(=O)c3CC2)c(C)n1 19502434 HOKAOMAKHURMKG-UHFFFAOYSA-N 392.507 2.738 0 40 GFAB CCOc1ccccc1-c1nnc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)s1 19520227 ZQGFSUWKNWAZEE-STQMWFEESA-N 376.482 2.652 0 40 GFAB COc1ccc([C@H]2N(C(=O)c3cc(C4CC4)n[nH]3)CCC[C@]23CCC(=O)N3)cc1 19557389 GGWKGKASXQKIHO-IRLDBZIGSA-N 394.475 2.922 0 40 GFAB Cc1ncsc1-c1cc(CN2CCC(NC(=O)c3cccnc3)CC2)n(C)n1 19562508 JUEFCJJQQSFUBG-UHFFFAOYSA-N 396.520 2.641 0 40 GFAB CN1CCc2nc([C@@H]3CCCN(C(=O)c4cccc(N(C)C)c4)C3)ncc2C1 19590450 IUFCKKJUPDKURF-QGZVFWFLSA-N 379.508 2.550 0 40 GFAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4ccco4)n3)ccc12 20745748 VKTJNYOGRNYMQC-UHFFFAOYSA-N 381.344 2.586 0 40 GFAB biogenic Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccoc3C)CC2)c(C)c1 21556044 DSVPYXHIMCTSCL-UHFFFAOYSA-N 376.478 2.660 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1 21556392 YPFPNBKFDZBZEL-UHFFFAOYSA-N 376.453 2.721 0 40 GFAB CCc1c(COC)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O 22448452 GVHTYQNJRFGMJE-UHFFFAOYSA-N 396.413 2.824 0 40 GFAB Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3nc4ccccc4s3)CC2)no1 22775887 QBWJYMLXKRCHEL-AWEZNQCLSA-N 385.493 2.738 0 40 GFAB COc1cc(OC)c(CNC[C@H](c2cccs2)N2CCOCC2)c(OC)c1 22807533 IWZMISXVVQZLFI-QGZVFWFLSA-N 392.521 2.937 0 40 GFAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)n2c1nc1ccccc12 23411137 DBYMIKRQUNWITJ-GOSISDBHSA-N 378.432 2.908 0 40 GFAB C/C=C/c1ccc(OCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC)c(OC)c1 24778410 GOTKMUHWIGQBGK-ZLHKHBAESA-N 394.471 2.807 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 24831179 MGFLPWFOYRDKSV-ZDUSSCGKSA-N 395.502 2.674 0 40 GFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1N1CCCC1=O 24838597 ADNSXKWNQCAYCS-GOSISDBHSA-N 399.516 2.678 0 40 GFAB CN(C)C(=O)COc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 25656206 LVGDXSYJSOKHAC-UHFFFAOYSA-N 393.237 2.874 0 40 GFAB C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccc1 26984598 MRSYTTQFTYZECV-AWEZNQCLSA-N 378.519 2.953 0 40 GFAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H]2COc3ccccc3C2)c1 28074090 BDEJIOKDCBOHSZ-OAHLLOKOSA-N 394.500 2.910 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@H](O)c2ccccc2F)C1 28915053 UVSMBHPDWBEMHD-LIRRHRJNSA-N 388.464 2.886 0 40 GFAB O=C(CCn1cncn1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181179 VHFVUNKDMIRCFI-UHFFFAOYSA-N 399.495 2.880 0 40 GFAB CSCC[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1 30910412 HEEYOSCDFKBBNO-KRWDZBQOSA-N 393.476 2.763 0 40 GFAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c1 31818177 MESBJMRMABBAOY-ZDUSSCGKSA-N 381.392 2.817 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc3c(c1)NC(=O)CO3)O[C@@H](C)C2 32741053 PCUZDOOMTDBZEH-LBPRGKRZSA-N 382.416 2.670 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 32892239 SKXGXRNPSHJOKY-AWEZNQCLSA-N 383.423 2.957 0 40 GFAB Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C\C(=O)O)CC2)cc1 33330703 RYPFIQYMRCTAJV-KHPPLWFESA-N 393.443 2.537 0 40 GFAB CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)cc1 35380346 QALNVXMZGMAWMS-SFTDATJTSA-N 377.488 2.893 0 40 GFAB O=C1C[C@H](C(=O)Nc2cccc(C(=O)O)c2)n2ncc(-c3ccc(F)cc3)c2N1 35685044 LNODAEADSBBYIY-MRXNPFEDSA-N 394.362 2.909 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCCCC[C@@H]32)C1=O 36338950 XDVVQSQOCUARGA-QGZVFWFLSA-N 392.459 2.577 0 40 GFAB Cc1nccn1-c1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)ncn1 38670581 ILWDVILCEIETIO-UHFFFAOYSA-N 397.870 2.978 0 40 GFAB COC(=O)CC[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 39140192 HBLHIKXVNJAQQJ-NSHDSACASA-N 375.418 2.653 0 40 GFAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 40087851 RQEPHAAKUIKLRL-UHFFFAOYSA-N 384.524 2.801 0 40 GFAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1 40288425 MGRPZPZVNJHNTE-SFHVURJKSA-N 395.394 2.910 0 40 GFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(F)c(C)c3)n2)c1 41153655 LGLJRZANOSCDLS-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc(C)oc3C)n2)cc1 42379569 RGAAHDOSMHMKOX-UHFFFAOYSA-N 381.432 2.949 0 40 GFAB Cc1nn([C@H](C)c2nn3c(-c4cnccn4)nnc3s2)cc1Br 44920868 VXSXOKOSGSHIRA-MRVPVSSYSA-N 391.258 2.520 0 40 GFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCNC(=O)COc1ccccc1 48274948 SQERYXJUQWEISS-YZGWKJHDSA-N 390.524 2.775 0 40 GFAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1ccc(Cn2cncn2)cc1 48290821 WKSMAOIKXYKCPV-LJQANCHMSA-N 389.459 2.534 0 40 GFAB O=C(NCc1ccccc1Cl)c1cn(-c2cc(N3CCCC3)ncn2)cn1 49411242 XHAALQSBRDFEGG-UHFFFAOYSA-N 382.855 2.846 0 40 GFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(C)CCCc1ccccc1 58224844 YPZGMRJHBYACRN-UHFFFAOYSA-N 376.460 2.774 0 40 GFAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 58377260 HVRIRMIFESMCJY-UHFFFAOYSA-N 386.223 2.962 0 40 GFAB O=C(c1ccccn1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205947 GZGMGMPFDCUIHK-UHFFFAOYSA-N 378.388 2.880 0 40 GFAB O=C(CSc1nnnn1C1CC1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 70039855 XVBPPFISMYQPTM-WCQYABFASA-N 383.399 2.791 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H](O)c1cccc2ccccc12 70636223 CKFHOSFGPCHNHX-IBGZPJMESA-N 382.847 2.959 0 40 GFAB Cc1nc2c(c(C)c1CC(=O)N1CCCCC[C@H]1c1cccn1C)c(=O)[nH]n2C 71103634 NDRUHWGAMGQHAS-SFHVURJKSA-N 395.507 2.903 0 40 GFAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)c2)n1 71768367 QKERKTSLQCFRJR-UHFFFAOYSA-N 378.367 2.695 0 40 GFAB CN(CCO)C(=O)c1cc([C@H]2CCN(Cc3cccnc3)C2)nc2ccccc12 72356014 NMCORAPZBSIQAJ-SFHVURJKSA-N 390.487 2.684 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)Nc3cccc(-c4nc[nH]n4)c3)CC2)n1 79474393 VKIZCFFPVRNSIL-UHFFFAOYSA-N 377.452 2.734 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)c1 85420815 PWNRLDPQVXUNFA-JWVYWZTKSA-N 379.416 2.525 0 40 GFAB O=c1[nH]c2nc(NCc3cccc(Cl)c3)ncc2c(=O)n1-c1ccccc1F 90591694 NSTUAXUAXLGLRS-UHFFFAOYSA-N 397.797 2.874 0 40 GFAB CNC(=O)[C@@H]1CCCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C1 95957451 ZHKKFSHEOKPUTA-OAHLLOKOSA-N 387.505 2.558 0 40 GFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)C1CCN(Cc2ccccc2)CC1 95980357 FETDLZOFVJDQPA-HXUWFJFHSA-N 382.508 2.839 0 40 GFAB COc1ccc(-c2nc([C@@H]3CN(C(=O)c4ccccc4OC)CCO3)no2)cc1 96000891 XHTQJEGIIWMYBJ-SFHVURJKSA-N 395.415 2.968 0 40 GFAB O=C(CSCc1ccccc1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96025359 DWHICFCTXVSSMG-SFHVURJKSA-N 375.515 2.995 0 40 GFAB Cc1ccccc1N(CCCC(=O)NCCCc1ccco1)S(C)(=O)=O 113967978 ZJCKUDHDBRWIAP-UHFFFAOYSA-N 378.494 2.883 0 40 GFAB CCOC(=O)c1c(O)c2cc(Br)c(C(F)(F)F)nc2n(C)c1=O 168335347 ZNRXJKDMCGEOSS-UHFFFAOYSA-N 395.131 2.597 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)NCCn1ccn2nc(-c3ccco3)cc12 206751105 FZOHYLYIYIVTNB-RIYZIHGNSA-N 382.445 2.986 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3ccco3)CC2)cc1 219450937 BOSOCTASIJGJGR-MRXNPFEDSA-N 381.475 2.935 0 40 GFAB CCOc1ccccc1CCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222418607 MTYVRUPACLEWAZ-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccccc1F 224171388 OZLQBTVBRMHQJI-UHFFFAOYSA-N 376.453 2.598 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)NC[C@@H](C)c2ccccc2)ccc1OC 224223369 GWOSAGUDXXFLMZ-CQSZACIVSA-N 376.478 2.527 0 40 GFAB COc1cccc(OCc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2OC)c1 224257115 VBWUKSMBTDGMLD-UHFFFAOYSA-N 398.459 2.620 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 225440624 CSHNWAPPLAPCDG-UHFFFAOYSA-N 394.474 2.954 0 40 GFAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(-c2ccco2)n[nH]1 225763175 DDLKLFJBWOCAGN-UHFFFAOYSA-N 391.416 2.766 0 40 GFAB CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)[C@H](c2ccccc2)C1 245237356 KPTHEAMGOZHNTN-OALUTQOASA-N 381.476 2.647 0 40 GFAB CCc1cc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)on1 257218034 DBPOCRPADFEVQY-FQEVSTJZSA-N 389.427 2.553 0 40 GFAB COCCN1CC[C@@]2(CN(Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306140953 VHMMBLHRYJUDKO-RXVVDRJESA-N 386.496 2.522 0 40 GFAB Cc1cc(N2C[C@@]3(F)CN(C(=O)Cc4ccncc4)C[C@@]3(F)C2=O)c(C)s1 306141398 VUMDNPRCYOSPTF-RBUKOAKNSA-N 391.443 2.608 0 40 GFAB O=C([C@H]1CCc2[nH]nc(-c3ccsc3)c2C1)N1CCN(c2ccccn2)CC1 306142350 WWRZPYZLZNAOSA-HNNXBMFYSA-N 393.516 2.987 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 408559514 MGZKIUNFLIPKPU-HNNXBMFYSA-N 398.484 2.832 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 409196414 UTCJIBOHBMHQTG-UHFFFAOYSA-N 398.431 2.917 0 40 GFAB COc1ccc([C@H](NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)C(=O)O)cc1Br 563200240 LDERUBUGCOGHSO-LBLXLQPISA-N 386.242 2.513 0 40 GFAB O=C(Cc1ccc(-n2cnnc2)cc1)N1CCO[C@@H](CCc2ccccc2)C1 564872283 KNULJXACDOBNGJ-NRFANRHFSA-N 376.460 2.670 0 40 GFAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2scnc2C(=O)O)cc1 566180054 XJRIWHBNNQHYQY-CYBMUJFWSA-N 382.463 2.766 0 40 GFAB Cc1c(C(=O)N2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)oc2ccccc12 575406043 VTBJVMAOMHCPSL-KRWDZBQOSA-N 394.431 2.689 0 40 GFAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3Br)C2)n1 575615889 IUOQXYWXZUZJHC-LBPRGKRZSA-N 384.299 2.751 0 40 GFAB COc1c[nH]c(=NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cn1 585083521 NQZRHCFDCREMIS-UHFFFAOYSA-N 383.857 2.540 0 40 GFAB CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H](C)Oc4ccccc43)cc2C1 585091655 IRPLFNOJXDODGD-GFCCVEGCSA-N 392.502 2.629 0 40 GFAB COc1ccccc1-c1noc([C@H](C)NC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)n1 626753809 ADWFPIRXCNGIIW-RWMBFGLXSA-N 388.424 2.558 0 40 GFAB O=C(O)c1cnn(CC(=O)N2CCC[C@H]2c2ccccc2Br)c1 630298473 GDHPAEQKBCHIMC-AWEZNQCLSA-N 378.226 2.708 0 40 GFAB Cc1cccc(CN2CC[C@@H](NC(=O)c3cnn(C4CCOCC4)c3C)C2)c1 634275496 RPSZMPXEEGARJO-LJQANCHMSA-N 382.508 2.856 0 40 GFAB C[C@@H]1CCCN(c2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)ccn2)C1 643186124 ARMWSCAHFCSBND-QGZVFWFLSA-N 390.491 3.404 0 40 GFAB Cc1cc(Cn2nnc(C(=O)Nc3cnn([C@@H](C)c4ccccc4)c3)c2C)on1 648502722 COSBHVCVWSZYAH-AWEZNQCLSA-N 391.435 2.989 0 40 GFAB COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 650730518 ADFOBIYCZJNUBJ-NUEKZKHPSA-N 375.494 2.971 0 40 GFAB CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)C[C@@H]1CCCCC1(F)F 660150572 JRZXQVIPLDNJAQ-JKSUJKDBSA-N 394.528 2.717 0 40 GFAB O=C(O)[C@H]1CN(C(=O)c2ccc3nc(O)n(C4CC4)c3c2)Cc2ccccc21 663131004 BUFZSZTXKNCUCB-INIZCTEOSA-N 377.400 2.901 0 40 GFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1nc2cccc(Cl)c2n1C 681248067 OWKWINSISGWDAX-KRWDZBQOSA-N 382.851 2.821 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 685625821 VXONEGCMQOEYON-NSHDSACASA-N 391.781 2.878 0 40 GFAB CCC(=O)N1CCC2(CC1)[C@@H](C(=O)N1CCC1)c1ccccc1C(=O)N2C(C)C 1549174819 SBDLGLYEOYOXEN-HXUWFJFHSA-N 397.519 2.638 0 40 GFAB CC(C)CCn1c(SCC(=O)N(C)c2ccccc2)nc2cn(C)nc2c1=O 1565519340 MOIMJXXDIBDZQS-UHFFFAOYSA-N 399.520 2.931 0 40 GFAB Cc1cscc1NC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(C)C)CC3)[C@@H]2C1 1615592639 UQTJEMSPMUISTK-SJORKVTESA-N 392.525 2.966 0 40 GFAB CC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1ccc(N2CCCCC2)cc1 1682009085 MKJGPVTXIPTRPS-NRFANRHFSA-N 386.540 2.920 0 40 GFAB COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)c(Cl)c1 1397736 PEHRYNCHMWUNMS-WDEREUQCSA-N 393.248 2.615 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1 2689170 HMEFWBBNVCXWGL-SJORKVTESA-N 397.822 2.580 0 40 GFAB Cc1csc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)n1 4328116 TYSJDLJCTIMZDZ-UHFFFAOYSA-N 383.462 2.682 0 40 GFAB COc1cc(C(=O)Nc2ccccc2[C@H]2COC(=O)C2=N)cc(OC)c1OC 4649565 AHHNPNQCYBWTGL-CYBMUJFWSA-N 384.388 2.625 0 40 GFAB Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)NCCCc1ccccc1 4895770 SHAZLNOBIBYJPA-HHHXNRCGSA-N 386.517 2.740 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2 5241985 KHBFSGSRKCOMRW-KDOFPFPSSA-N 388.464 2.502 0 40 GFAB Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 5624530 IWLIHUZGJQTTOR-UHFFFAOYSA-N 398.459 2.701 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H](C)NC(=O)c1cccc(C)c1 6609818 QSHCUXPYYFNUNZ-INIZCTEOSA-N 397.475 2.609 0 40 GFAB COC(=O)c1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1 6832033 UZLJTJBDAKJQDZ-INIZCTEOSA-N 398.415 2.543 0 40 GFAB C[C@H]1CCc2nc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)sc2C1 6850129 ASYPCCVAYPQUMD-FKIZINRSSA-N 398.488 2.674 0 40 GFAB C=CCOc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1OCC 6959720 CUIGBWUKWWZVDH-XYOKQWHBSA-N 381.226 2.935 0 40 GFAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 7307788 UEJAZIGNCJALCE-UHFFFAOYSA-N 375.324 2.792 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3cccc(C)c3C)c(=O)c12 7552820 SXBJGPXVGQXSLI-UHFFFAOYSA-N 383.404 2.730 0 40 GFAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 8085958 CAJPLQFYSMVMRW-LBPRGKRZSA-N 384.860 2.977 0 40 GFAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC(=O)NC1CC1 8937304 DRIUBMWXVPMKFT-LLVKDONJSA-N 398.488 2.596 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 9303306 SWPILLKACOCUKW-OEMYIYORSA-N 398.846 2.531 0 40 GFAB C[C@H](OC(=O)CCNC(=O)Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1 9622627 SGJKKDLLNPIHQZ-ZDUSSCGKSA-N 380.404 2.739 0 40 GFAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)s1 10622882 MVBYCXILAJXHKZ-UHFFFAOYSA-N 393.412 2.777 0 40 GFAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCCOC 11118219 XNDXFXDHTHBRRG-UHFFFAOYSA-N 388.489 2.577 0 40 GFAB COc1ccc(CNC(=O)CN2CCC(c3ccc4c(c3)OCO4)CC2)cc1 12113994 PSWKIXZPIRELKN-UHFFFAOYSA-N 382.460 2.920 0 40 GFAB Cc1cccc(NC(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)n1 12145095 MXNYKGOFKGUARS-UHFFFAOYSA-N 376.420 2.510 0 40 GFAB Cc1nonc1CC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 12187174 ZEKCJKGTQUTSSW-UHFFFAOYSA-N 388.899 2.886 0 40 GFAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(S(=O)(=O)C(C)C)C3)cc2n1 12257602 RAVBSLFOWYXINK-GFCCVEGCSA-N 390.431 2.974 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(Br)ccc21 12325145 DFUYALRZJXIAFF-ZDUSSCGKSA-N 399.310 2.815 0 40 GFAB COc1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1S(=O)(=O)NC1CC1 12489260 DYRKVVDGBGDIBA-UHFFFAOYSA-N 392.452 2.513 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 12544589 FSSXSJWEORCHNO-UHFFFAOYSA-N 397.523 2.692 0 40 GFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc4nccnc4c3)n2)cc1 12553358 FYARVGOONAXNHD-UHFFFAOYSA-N 387.403 2.806 0 40 GFAB O=C(c1oc2ccccc2c1NS(=O)(=O)c1cccs1)N1CCOCC1 12650353 MFGHXJJBJFKTBF-UHFFFAOYSA-N 392.458 2.768 0 40 GFAB COc1cccc(/C=C/C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 12814416 UPWCCUSLNLUGCD-GNISGLHKSA-N 385.485 2.924 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1cnc2c(cnn2C(C)C)c1 12861141 WPAUZLVCNKOZRR-UHFFFAOYSA-N 384.436 2.968 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3c(F)cccc3F)CC2)cc1 12903125 XNDSHCZUCRPAHO-UHFFFAOYSA-N 394.443 2.856 0 40 GFAB C[C@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 12916372 UADDYCLHYHCSIU-ZDUSSCGKSA-N 390.484 2.883 0 40 GFAB Cc1nn(-c2ccc(C(=O)Nc3nc(CC(N)=O)cs3)cc2)c(C)c1Cl 12921734 RIVLCOPTIXKWFO-UHFFFAOYSA-N 389.868 2.879 0 40 GFAB CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)c(Cl)c2)NC(=O)N[C@@H]1C 13039449 BFKVOZHWYGGEHH-SNVBAGLBSA-N 386.279 2.944 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12 13655690 ZIWQBHBOGPHBQA-UHFFFAOYSA-N 391.379 2.736 0 40 GFAB biogenic Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 18386998 QTHWQGJLTNTMBB-UHFFFAOYSA-N 396.490 2.623 0 40 GFAB Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cnc(N4CCCCC4)nc3)C1)OCC2 19287410 ZDNUZKSVBRWNCL-QFIPXVFZSA-N 394.523 2.629 0 40 GFAB COc1cc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC 19549739 RUNHHBIRZCFCIT-INIZCTEOSA-N 399.491 2.595 0 40 GFAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)Cc3ccc(F)cc3)C1)CNC2=O 19562824 QSRUOLGQSPPHQF-JOCHJYFZSA-N 398.434 2.560 0 40 GFAB COc1ccc2[nH]cc(C(=O)N[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2c1 19563168 RAGOCXFHKLNNRV-MRXNPFEDSA-N 377.444 2.750 0 40 GFAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccnc4ccccc24)C3)C1 19711091 SXUAOGUHTWTALP-SFHVURJKSA-N 390.491 2.568 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)cc1 19942366 HXDDBKNWGGHVMD-UHFFFAOYSA-N 375.475 2.735 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 20491947 NAXSDFOYKHZXQC-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CCOC(=O)c1cn(CC(=O)Nc2cccc(F)c2)c2nc(C)ccc2c1=O 20986378 KGAZCYIGEQYFGC-UHFFFAOYSA-N 383.379 2.659 0 40 GFAB CCc1nc2sc([C@H](c3cccs3)N3CCN(CC)CC3)c(O)n2n1 22578168 KHFFLJGIIOONON-AWEZNQCLSA-N 377.539 2.847 0 40 GFAB CN(CC(=O)Nc1ccccc1OC(F)F)S(=O)(=O)c1cccs1 23714899 LMAVELBABNHXSH-UHFFFAOYSA-N 376.406 2.609 0 40 GFAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC2(CC1)OCCO2 24997174 PAZOJEZBTCFFOM-UHFFFAOYSA-N 392.253 2.818 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2ccc(CNC(N)=O)cc2)cc1 25518705 HQFFKVGJWZIQGN-ATJXCDBQSA-N 380.473 2.816 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccccc1OCC(F)(F)F 26136750 YVCXVUGZLPCPJV-UHFFFAOYSA-N 392.337 2.761 0 40 GFAB COc1cc(=O)oc(/C=C/C=C/C=C/C=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C 31156932 BXUGQFINZUXAKN-YOBNSDJQSA-N 388.460 2.928 0 40 GFAB biogenic,in-vitro O=C(CN1C(=O)CCOc2ccccc21)N1CCC([C@@H](O)c2ccccc2)CC1 31268957 QFBZKHFJROHFNE-QHCPKHFHSA-N 394.471 2.774 0 40 GFAB CCc1ccc(N2C(=O)CN(Cc3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773664 RAEGPUQFSOLGMN-LEWJYISDSA-N 398.528 2.572 0 40 GFAB CCC12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)O)c3ccccc13)C2=O 32124108 NBUBMQJKVAKTQN-UHFFFAOYSA-N 381.476 2.731 0 40 GFAB biogenic O=C(Cc1csc(N2CCCC2=O)n1)NCCSCc1ccsc1 32778189 HWHWPFVUDNTTGO-UHFFFAOYSA-N 381.548 2.924 0 40 GFAB O=S(=O)(c1ccc(Cl)nc1)N1CCc2nc(-c3ccccc3)ncc2C1 32916407 KGCLMTDMSHIIBK-UHFFFAOYSA-N 386.864 2.939 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)N(C)C)cc1 32960873 ZFBHNKADFANSTR-BEFAXECRSA-N 384.480 2.624 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c(F)c1 33232045 DNURXJFIXPLGSY-AWEZNQCLSA-N 395.456 2.778 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1 36390124 LVUJVPPZPWRGND-NQIIRXRSSA-N 393.487 2.563 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1)C(=O)OC 36569619 JEHJXCVOKBAXCT-XZOAIXRZSA-N 388.443 2.794 0 40 GFAB Cc1ccc2c(c1)N(C(=O)Cn1cnc3c(oc4ccccc43)c1=O)CCO2 38486739 GAGZGGADYXKLRO-UHFFFAOYSA-N 375.384 2.877 0 40 GFAB Cc1oc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 38489355 GYIBDUXFEYRBRR-RYUDHWBXSA-N 396.440 2.777 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 38728775 WXFBXUQWINNVBR-LEWJYISDSA-N 391.471 2.733 0 40 GFAB CC(=O)N[C@H](CC(=O)NCCc1cnn(-c2ccccc2)c1)c1cccs1 40039453 ILKRFJRQCJFOPC-GOSISDBHSA-N 382.489 2.860 0 40 GFAB O=C(Cc1noc(C(=O)NC2CCCCC2)n1)Nc1cccc2ncccc12 40266588 JHUCHRXFQXZIFN-UHFFFAOYSA-N 379.420 2.862 0 40 GFAB Cc1ccc(S(=O)(=O)n2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)cc1 41104980 NEAZRBOOIGLCST-UHFFFAOYSA-N 388.489 2.549 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3C)n2)cc1 41153831 MFXMRZWAJARERD-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCCCC2)cc1Cl 44904675 ONANFVFOLJREDU-UHFFFAOYSA-N 387.933 2.707 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2cccc(CN3CCOCC3)c2)cc1OC 47227425 IWRAZWBIRZNHAA-VQHVLOKHSA-N 396.487 2.866 0 40 GFAB COc1ccc2cc(CN(C)C(=O)CN3CCCC[C@@H]3CC(N)=O)ccc2c1 58265213 XKDJMPNCTUWHMS-LJQANCHMSA-N 383.492 2.537 0 40 GFAB O=C(NC1CCN(Cn2nccc2-c2cccnc2)CC1)c1ccc(F)cc1 58434783 QTNJRHMKIJOOEI-UHFFFAOYSA-N 379.439 2.936 0 40 GFAB O=C(Cn1cnc2cc3c(cc21)OCCO3)Nc1ccc2c(c1)OCCCO2 64794708 RGJZBTVGBZCGFC-UHFFFAOYSA-N 381.388 2.608 0 40 GFAB CCc1nnc2c(=O)n(CC(=O)Nc3ccc(C)cc3C)c3ccccc3n12 64871520 ZXRJSYBNTFLUEP-UHFFFAOYSA-N 375.432 2.862 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@@H](c2ccccc2)O1 67591072 VXRCOJZJVALNJI-LPHOPBHVSA-N 377.448 2.939 0 40 GFAB CCNC(=O)COc1ccc(CN[C@H]2CCOc3ccc(F)cc32)cc1OC 68985111 UUIBOVCOLDRGAO-KRWDZBQOSA-N 388.439 2.963 0 40 GFAB COc1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)ccc1O 72327122 AMEFQLTUXUCUNE-UHFFFAOYSA-N 378.476 2.881 0 40 GFAB O=C(c1cccnc1)C1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 72346670 OYATVWGEUDOXQP-SFHVURJKSA-N 383.492 2.684 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 79488320 KELTUZLKSSDLKZ-KRWDZBQOSA-N 396.491 2.550 0 40 GFAB CN(C)C(=O)CN(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 83844060 MSROQDPATNYBDH-UHFFFAOYSA-N 386.839 2.946 0 40 GFAB Cc1cccc2nc(CNC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)n(C)c12 84230005 STZDTCQNOPUGRV-INIZCTEOSA-N 380.448 2.786 0 40 GFAB O=C(N[C@@H]1CCCc2occc21)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 84558664 RYOKLFKTRVFXOL-CRAIPNDOSA-N 388.489 2.874 0 40 GFAB O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc(-c2nc[nH]n2)cc1 95956526 KNXIBHSBRDBDBS-UHFFFAOYSA-N 381.461 2.837 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cc(F)cc(F)c1)C2 96237783 WDTFESVKSYFWNW-OAQYLSRUSA-N 385.414 2.528 0 40 GFAB CC(C)NC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96241969 WUWADSOTSFHWBG-MRXNPFEDSA-N 390.549 2.914 0 40 GFAB O=C(NCc1noc(Cc2cccs2)n1)c1cc(-c2ccccc2O)n[nH]1 97784895 CDQQGTDFVQSVIR-UHFFFAOYSA-N 381.417 2.748 0 40 GFAB NC(=O)N[C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccs1 106145873 IDNLVKRPZVTUBI-SJORKVTESA-N 386.521 2.628 0 40 GFAB CN(CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1 219285427 PEBGYJJEDSVUMG-UHFFFAOYSA-N 395.912 2.968 0 40 GFAB CCc1ccc(N([C@H](C)C(=O)NCc2ccc(OC)cc2)S(C)(=O)=O)cc1 220268276 NQSGSTTWHHQDDL-OAHLLOKOSA-N 390.505 2.729 0 40 GFAB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220482329 MRJOCGXYCKGXSU-AWEZNQCLSA-N 396.459 2.868 0 40 GFAB COc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222511537 HUAKKQCWPSOUOS-UHFFFAOYSA-N 382.869 2.674 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 222966764 HMPWPPIZJQCLBY-HXUWFJFHSA-N 384.476 2.936 0 40 GFAB COc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223214131 YOBZGWYRCFONQM-UHFFFAOYSA-N 390.446 2.600 0 40 GFAB CCc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 223785795 RMDKFFGOUFPIJA-UHFFFAOYSA-N 378.469 2.513 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C(=O)NC(C)C 224225490 RNYAVUDTJGGTSQ-OAHLLOKOSA-N 390.505 2.915 0 40 GFAB CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(S(C)(=O)=O)cc1 225726154 OPCTZURDNXEFMW-HNNXBMFYSA-N 379.507 2.931 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCN(c2cc(C3CC3)[nH]n2)CC1 225753118 KDZXZMOYEDMYQG-QHHAFSJGSA-N 380.448 2.814 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(-c2ccsc2)c1 225756532 BZPISWBWPKHBMO-UHFFFAOYSA-N 376.441 2.836 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)ccc1Br 238951631 XAZFGZIXKGDYFG-LLVKDONJSA-N 376.254 2.595 0 40 GFAB FC(F)(F)c1ccc(N2CCN(C3CCN(C[C@@H]4CCCO4)CC3)CC2)nc1 252492117 MDEDNZUUOGHFAI-SFHVURJKSA-N 398.473 2.866 0 40 GFAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCOCC3)CCN21 253396224 DJDWMBVUQUHZEV-IBGZPJMESA-N 391.943 2.740 0 40 GFAB biogenic,in-vitro CN(C)C(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CC2)CC1 257204415 AULNJHLKWZWLTD-UHFFFAOYSA-N 392.503 2.793 0 40 GFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)n1 257287357 PPOLHWCYXYYEGM-WKILWMFISA-N 381.480 2.586 0 40 GFAB Cc1nc(C(=O)N2CCC3(CC2)CO[C@@H]([C@@]2(C)CC[C@H](O)C(C)(C)O2)C3)co1 257312000 ULZAJCYSNCHJNG-SQGPQFPESA-N 392.496 2.703 0 40 GFAB Cc1cc(-c2nccn2C)nc(CC2CCN(C(=O)c3ccccn3)CC2)n1 257332705 XYIJGFDTSZSADA-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB CS(=O)(=O)N1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 257335251 YJIFIAUSENPBRC-HNNXBMFYSA-N 393.509 2.880 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260888506 BBUDIBPANCBICU-AFIMGQEJSA-N 380.485 2.531 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccc(F)cc4)C[C@H]2S3(=O)=O)cn1 306131172 JYCNHOQULPSQJQ-PZJWPPBQSA-N 397.475 2.982 0 40 GFAB COC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 408598416 ZXUWHVTYIOUMHV-MRXNPFEDSA-N 390.505 2.880 0 40 GFAB O=C(CN1CCC(CC(=O)N2CCCC2)CC1)NC1C2CC3CC(C2)CC1C3 515411007 YOEAQJMZHWVLMK-UHFFFAOYSA-N 387.568 2.652 0 40 GFAB O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 517841698 QZHWRQBWJQXXHT-UHFFFAOYSA-N 379.464 2.555 0 40 GFAB O=C(O)c1cccc(OCCN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 563281330 CKJRUFVMMONQPB-IYBDPMFKSA-N 377.343 2.566 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CCc4ccccc4O3)C2)s1 566003736 JNRVWVVEBJOOAI-GOSISDBHSA-N 377.487 2.762 0 40 GFAB COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccnc2c1CC(=O)N2 606444408 FYLAXTMXVHDDLG-UHFFFAOYSA-N 377.803 2.658 0 40 GFAB Cc1cc(N2CCN(C(=O)Nc3ccc4nccn4c3)CC2)nc(C(C)C)n1 606580782 FDUQEOIQPFRJAF-UHFFFAOYSA-N 379.468 2.910 0 40 GFAB O=C(c1onc2c1CCCC2)N1CCn2c(Cc3ccccc3F)nnc2C1 616525071 JDNIOOPNVUCGLA-UHFFFAOYSA-N 381.411 2.531 0 40 GFAB CCN1C[C@@H](CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)CC1=O 650287438 HVXURNQLFBLRAK-DYZYQPBXSA-N 384.263 2.629 0 40 GFAB COC(=O)[C@@H]1C[C@H](N(C)Cc2ccccc2)CCN1C(=O)c1cc(C2CC2)on1 1565547654 RCCFWIAFLSFPRU-MJGOQNOKSA-N 397.475 2.830 0 40 GFAB C/C(Nc1ccc(N(C)C)cc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 8997097 XTDXMUTUOKNCTA-NBVRZTHBSA-N 378.432 2.717 0 40 GFAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2occc2COc2ccccc2)CC1 22691369 ZRVCQMPPCIEXRU-UHFFFAOYSA-N 399.491 2.531 0 40 GFAB CC(C)NC(=O)NCc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1 22759793 RSTBNMADWDWMRZ-QGZVFWFLSA-N 388.537 2.988 0 40 GFAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1N 22701935 JEVTUDSQIDYPRG-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCCC3)c(=O)[nH]c2c1 1224818 PDGGJPCSRICZTB-LJQANCHMSA-N 394.479 2.824 0 40 GFAB CCN1CCN(CCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1 22939878 WACONDAHNQRSSL-UHFFFAOYSA-N 381.480 2.599 0 40 GFAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1 954691 VDYDVDNWHHFKSE-GOSISDBHSA-N 376.420 2.918 0 40 GFAB CCCOC(=O)c1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 4039297 BVFZTIJPGYISCG-ZDUSSCGKSA-N 380.400 2.877 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 4454451 JEZGLBDCCWEZLD-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB O=C(NCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C1CCCCC1 23640701 HSOBSJCJDSJNOA-UHFFFAOYSA-N 383.945 2.742 0 40 GFAB O=C(Nc1ccc(I)cc1)c1ccnc(-n2cnnc2)c1 4975412 HOSORLUIJHUIEZ-UHFFFAOYSA-N 391.172 2.519 0 40 GFAB O=C(c1cccs1)c1ccccc1C(=O)N1CCN(c2cnccn2)CC1 24617919 ANCJULUQEPPGJA-UHFFFAOYSA-N 378.457 2.732 0 40 GFAB Cc1n[nH]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1=O 1281517 GWORIOXKLRHDLF-UHFFFAOYSA-N 378.763 2.876 0 40 GFAB COC(=O)c1ccccc1NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 24739901 AIVRYDAKNRPCIJ-UHFFFAOYSA-N 385.395 2.602 0 40 GFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 25045370 DHRRYBGWEXUNCC-SZPZYZBQSA-N 378.520 2.835 0 40 GFAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1ccccc1Cl 22075108 JAXOEZRYSLYOTA-OAHLLOKOSA-N 378.900 2.988 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)CS2 26727713 GYUSICWLUVYLJN-KUHUBIRLSA-N 385.445 2.924 0 40 GFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 22250980 LVQZAJAGOPAOCV-QPJJXVBHSA-N 378.472 2.858 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 105864368 LUZDIWKBUUVMDS-CADBVGFASA-N 376.522 2.533 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)s1 12172817 IFEZGAGJHFLMQV-UHFFFAOYSA-N 382.283 2.672 0 40 GFAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2OC)c1 20258800 DIIFUPRIXBMAPP-UHFFFAOYSA-N 390.417 2.537 0 40 GFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1)c1ccc(F)cc1 67896841 PRASJZHENMIXAR-TZIWHRDSSA-N 398.434 2.749 0 40 GFAB biogenic,in-vitro O=C(COc1ccc(N2CCCC2=O)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 12812611 APBCLYHGQAYDPJ-UHFFFAOYSA-N 381.432 2.639 0 40 GFAB COc1ccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2ccccc2)cc1OC 3489482 OYAOZGKWEZXQTA-LBPRGKRZSA-N 384.461 2.917 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)cc1)C2=O 3592630 BWXMRPLXAOKPLH-UHFFFAOYSA-N 394.269 2.888 0 40 GFAB Cc1cc(C)cc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)c1 12986516 CJTKXKJLIXUFSI-UHFFFAOYSA-N 377.326 2.844 0 40 GFAB O=C(OCc1cc(-c2ccco2)on1)c1ccc(CN2C(=O)CCC2=O)cc1 19417974 LETYIJFQVVFEGI-UHFFFAOYSA-N 380.356 2.941 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@H](C)c3ccccc3C)c(=O)c12 19432341 RTKZBQJJNUKETA-CYBMUJFWSA-N 397.431 2.660 0 40 GFAB CCCCOCCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4550700 VOLLIQCRAVWBFN-IBGZPJMESA-N 388.439 2.734 0 40 GFAB CCOC(=O)c1ccc(NC(=S)N2CCC(C(=O)N3CCCC3)CC2)cc1 4622899 UGOWUDBMHHJVAP-UHFFFAOYSA-N 389.521 2.895 0 40 GFAB CCc1cccc(CC)c1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649315 GIVQYKPNRCFXMH-UHFFFAOYSA-N 379.416 2.843 0 40 GFAB CC(C)CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6719214 JWWJUSYNLMSTBM-UONOGXRCSA-N 382.507 2.536 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1c(C)cccc1C 28207418 CWVUQQCGEYJHNT-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COc1ccccc1N1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 7910385 LBSICLOCEVSFSG-UHFFFAOYSA-N 393.487 2.713 0 40 GFAB CC(C)N(CC(N)=O)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 16419685 ZRODVHXLSJXZHS-CQSZACIVSA-N 390.534 2.683 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)[C@@H]3CCCO3)c2)cc1 8185116 LDKCECLDCWXCTA-SFHVURJKSA-N 390.461 2.922 0 40 GFAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1nccs1 8739231 CZCOJQWWEUKMME-NHYWBVRUSA-N 387.465 2.665 0 40 GFAB CC(C)C[C@@H]1C[C@@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCO1 95991606 VCZHMXZVFDQWKT-LSDHHAIUSA-N 383.448 2.853 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 9986679 JCTZDILZHLNUDR-UHFFFAOYSA-N 394.471 2.937 0 40 GFAB Cc1ccc([C@H](CNC(=O)[C@H](C)c2c(C)nn(C)c2C)N2CCOCC2)s1 89656330 CESDYLLQZROAJP-PBHICJAKSA-N 390.553 2.700 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1 408550491 CWSGKVSOVFOSAW-CABCVRRESA-N 376.478 2.548 0 40 GFAB CN(C)C(=O)c1ccc(-c2noc(-c3ccnc(OCC(F)F)c3)n2)cn1 546480234 RGCQOTHRMKWJCL-UHFFFAOYSA-N 375.335 2.539 0 40 GFAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(-n2cccn2)cc1 24841887 CFGRTQZNFMUCCU-UHFFFAOYSA-N 375.384 2.715 0 40 GFAB Cn1c(=O)n(C)c2cc(NC(=O)COc3cccc(Br)c3)ccc21 60242965 OHSJPNDGOSCWOG-UHFFFAOYSA-N 390.237 2.657 0 40 GFAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 32841405 RBEBZQSSXTYOEP-AWEZNQCLSA-N 388.855 2.521 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)Nc1cccc(-n3cnnn3)c1C)CC2 514508951 TVYJXSQJNORFTB-UHFFFAOYSA-N 394.435 2.578 0 40 GFAB COCCN1CC[C@]2(CN(Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306140954 VHMMBLHRYJUDKO-WIYYLYMNSA-N 386.496 2.522 0 40 GFAB CCS(=O)(=O)c1ccc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 531468723 NWAQVRNSCCBMMA-UHFFFAOYSA-N 395.484 2.864 0 40 GFAB CCc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 30854931 XZOVTSBMUOCTMW-UHFFFAOYSA-N 379.457 2.640 0 40 GFAB Cc1ccc(SCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 128041509 JALKRSWTSBTGDM-UHFFFAOYSA-N 392.546 2.665 0 40 GFAB CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 35291336 WMYOVJLQFZLTKH-FQEVSTJZSA-N 398.461 2.727 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 225702843 PPFRPZQENRVOHH-UHFFFAOYSA-N 399.472 2.745 0 40 GFAB COC(=O)c1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 40640031 USXFLXVYNATNTD-UHFFFAOYSA-N 388.445 2.656 0 40 GFAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NC(=O)Nc1ccc2c(c1)OCO2 48325034 KDSYUAGJADMUGQ-UHFFFAOYSA-N 397.416 2.641 0 40 GFAB COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224204703 WRGYAMFMOFUNLG-UHFFFAOYSA-N 376.478 2.505 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 223979256 OUKFQNDGJVHUQV-AWEZNQCLSA-N 378.519 2.906 0 40 GFAB CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 225209372 XFWRJUXEBYBFAE-QGZVFWFLSA-N 380.554 2.822 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4CNC[C@H]4c4ccccc43)ccc12 96157024 RYCBEPISICHVOH-DNVCBOLYSA-N 390.439 2.830 0 40 GFAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@H]2CCCCN2S(C)(=O)=O)n1 257226929 FMTWMKXMZCRBQS-QGZVFWFLSA-N 375.450 2.637 0 40 GFAB Cc1nc2ccccn2c1CC(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257306898 SWMNKVGYTDEOPB-UGKGYDQZSA-N 397.450 2.755 0 40 GFAB CCCn1cnc2sc(C(=O)N3CCC[C@]4(C)NCCC[C@@H]34)c(C)c2c1=O 257305245 SPBCJYPXXJBOTD-VLIAUNLRSA-N 388.537 2.923 0 40 GFAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CCN(Cc2ccccc2)CC1 256047762 ONJSELGCZUFBIZ-UHFFFAOYSA-N 397.866 2.941 0 40 GFAB Cc1cnc(C2(NS(=O)(=O)c3c(C)cc(C)c(F)c3C)CCOCC2)[nH]1 1657160271 LBYPWXLKKCKPCQ-UHFFFAOYSA-N 381.473 2.767 0 40 GFAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCSc1ccccc1 53472286 QXUTWLSSPKFZED-HLLBOEOZSA-N 379.551 2.621 0 40 GFAB biogenic O=C(O)CCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 95970456 IFMXVIIIGDHMNW-QGZVFWFLSA-N 386.448 2.772 0 40 GFAB COc1cc(C2=NO[C@@H](C(=O)Nc3cc(C)ccc3O)C2)cc(OC)c1OC 5030774 MBPPPHUGHMTPMZ-GOSISDBHSA-N 386.404 2.858 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 5192343 SVCPNLYIKQYGPF-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250622 FEMQIMVVJTVVJR-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(Cl)ccc(Cl)c2s1 16974943 OUXVHYHUPGODPH-SECBINFHSA-N 394.305 2.966 0 40 GFAB CC(C)(C)c1cc(C(=O)N(CCO)[C@H]2CCCc3ccccc32)nc2ncnn12 19083857 OYXBGUWMCHAVPX-SFHVURJKSA-N 393.491 2.934 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19331252 VJGJEBAYQAPHSF-NFBKMPQASA-N 396.462 2.918 0 40 GFAB COc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC 19560832 YQLRXRUOAUIFNF-QGZVFWFLSA-N 392.459 2.839 0 40 GFAB CN1CCC(c2ncc3c(n2)CCN(C(=O)c2cccc(N(C)C)c2)C3)CC1 19588331 SBOGBNGQXMBKLN-UHFFFAOYSA-N 379.508 2.550 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCCN(C)C4)n3CC1)CCCC2 19709263 YAECNBCJEXHQJC-MRXNPFEDSA-N 397.523 2.566 0 40 GFAB CC1CCN(Cc2nnc(SCC(=O)NC(=O)Nc3ccccc3)o2)CC1 19897542 HTHYWSIMORJTRX-UHFFFAOYSA-N 389.481 2.742 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](N)CCO2)sc1Cl 652383469 VTNSEJPOGMDSES-XQQFMLRXSA-N 378.947 2.759 0 40 GFAB C[C@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1)n1cccn1 12220657 KRHNGHPNORXXGV-NVXWUHKLSA-N 391.475 2.888 0 40 GFAB CC[C@H](C)N1CCc2nc3sc(C(=O)N4CCCC4)c(C)c3c(=O)n2CC1 12241844 SYFGERNSYSVESW-ZDUSSCGKSA-N 388.537 2.659 0 40 GFAB C[C@@H](CC(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1)c1ccccc1 575606597 NFIMRXPBYVUSIX-ZDUSSCGKSA-N 396.413 2.958 0 40 GFAB O=C(OC[C@H]1CCCCO1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830852 NWLSFENWUULSBT-QGZVFWFLSA-N 381.494 2.772 0 40 GFAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)Cn2nc(O)c3ccccc3c2=O)cc1C 4278205 RGGOMROHCMIQHL-HNNXBMFYSA-N 394.427 2.842 0 40 GFAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1 4246969 VXXPZMNWDRZDLS-OAHLLOKOSA-N 384.432 2.721 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 1888853267 KADZUKNEMWPEKR-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB CC(=O)c1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 23732775 RUZDNEFKSJLHGW-GOSISDBHSA-N 388.489 2.519 0 40 GFAB Cc1c(CCC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cnn1C 2037909219 DYXSJGCNTFRNNA-OAQYLSRUSA-N 389.471 2.623 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2cccc(Cl)c2)nc(=O)[nH]c1C 5251687 KZGFZRKUAMSXCJ-UHFFFAOYSA-N 381.841 2.639 0 40 GFAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1ccccc1 11612666 HKHBAPUVLLMXFI-LJQANCHMSA-N 386.517 2.979 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)c1 12277007 AOWIXFQNVGMGPM-CWIFOLKKSA-N 377.437 2.638 0 40 GFAB COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccco3)sc2c1 22998427 WEGAPEWBVQSLKX-UHFFFAOYSA-N 387.461 2.877 0 40 GFAB O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](N2C(=O)COC2=O)C1 225700410 LMYMVCLVTONBMM-ZDUSSCGKSA-N 378.384 2.504 0 40 GFAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc(-c2cccs2)n[nH]1 43999834 AVJPMENCLQGNMZ-UHFFFAOYSA-N 397.485 2.853 0 40 GFAB O=C(/C=C/c1cc(F)ccc1F)N1CCC(n2cnc3ncccc3c2=O)CC1 575618934 XQPIWIKLBKAFBB-ZZXKWVIFSA-N 396.397 2.947 0 40 GFAB COCc1cn([C@@H]2CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)nn1 585149731 UCFIZWYROKDXMV-CYBMUJFWSA-N 385.251 2.584 0 40 GFAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1cncc(Br)c1 244970115 HKNQMXGYHIEEQT-HDJSIYSDSA-N 395.232 2.893 0 40 GFAB COc1ccc(Br)c(C(=O)NC2CCN(c3cnsn3)CC2)c1 575616027 MAFAULNUSLFDSQ-UHFFFAOYSA-N 397.298 2.708 0 40 GFAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)c1OC 956682 RMUZUFDOKANXPQ-INIZCTEOSA-N 384.461 2.530 0 40 GFAB CSCC[C@H](CO)NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 208198337 QHVXQEPANWNLJE-CYBMUJFWSA-N 389.473 2.929 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc(OC(F)F)c1 50378418 WIOWVSJEIFGFDN-UHFFFAOYSA-N 375.379 2.592 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)c1cccc(NC(=O)c2cccnc2)c1 31226672 MIPFBHQBNBHEMR-UHFFFAOYSA-N 398.426 2.845 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(Cc3noc(-c4cccs4)n3)c(=O)c12 31758527 DKWIXZNVHALLEN-UHFFFAOYSA-N 386.389 2.634 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(F)c(F)c1 102173335 UFXNWBQNRVDVMI-SECBINFHSA-N 375.400 2.991 0 40 GFAB O=C(COC(=O)c1ccc(-n2cccn2)nc1)Nc1ccc(OC(F)F)cc1 32905080 DOKQLRMTTIIFKT-UHFFFAOYSA-N 388.330 2.664 0 40 GFAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 32920683 MAOOVSMCFZFXQB-GPAKFWEMSA-N 395.425 2.530 0 40 GFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCOc4ccccc43)cc2C[C@@H]1C 21867137 QOUAILDGQNMNEI-SCLBCKFNSA-N 386.473 2.786 0 40 GFAB CCNC(=O)CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 645149 MTCMBVPBFLJILG-UHFFFAOYSA-N 389.502 2.892 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1Cl 22619857 CFHJWRPFULOSES-SFHVURJKSA-N 394.924 2.917 0 40 GFAB COc1cccc(-n2nnnc2SCC(=O)Nc2cc(C)ccc2OC)c1 932248 PTNOQUJLEBAEEE-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB Cc1ncc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)n1-c1ccccc1 78966188 NOUCNQSBOBXOEH-QGZVFWFLSA-N 378.407 2.855 0 40 GFAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1C 3023126 ZUBZISFEMBCEAO-UHFFFAOYSA-N 392.452 2.716 0 40 GFAB CCCn1nc(C(=O)OCC(=O)Nc2ccc(C)cc2)c2ccccc2c1=O 3273352 AFUDEBVYBPJVNP-UHFFFAOYSA-N 379.416 2.910 0 40 GFAB COCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccco1 4161504 JYEUGWXZFOZXAU-UHFFFAOYSA-N 393.494 2.989 0 40 GFAB COc1cccc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)c1 4908870 IMJYSECSQWWNBZ-UHFFFAOYSA-N 381.476 2.837 0 40 GFAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cc(Br)ccc1F 4944527 KUXNFXFORICPRP-SECBINFHSA-N 398.257 2.878 0 40 GFAB C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccc(Cl)cc1 6546050 JMTRKVPLBWXRCC-LBPRGKRZSA-N 385.807 2.620 0 40 GFAB CSc1ccc(CN(C)CN2C(=O)C(=O)c3cc4c(cc32)OCCO4)cc1 24104026 OHJZWIQHKFAZKO-UHFFFAOYSA-N 384.457 2.799 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(N)(=O)=O 10546373 HVDGBUJGOMRLSA-HNNXBMFYSA-N 398.488 2.539 0 40 GFAB COc1ccccc1CNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8558215 AQFVNHLRYFVCRF-UHFFFAOYSA-N 376.478 2.558 0 40 GFAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)N1CCOCC1 8623555 GVTRMVUHFLLYIZ-OALUTQOASA-N 389.540 2.815 0 40 GFAB biogenic,in-vitro COc1cc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc(C(=O)O)c1OC 55676027 JHUZHSMAHFJAPS-UHFFFAOYSA-N 379.434 2.844 0 40 GFAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1NS(C)(=O)=O 44036621 ASORTFQXMMQUOT-HUUCEWRRSA-N 378.425 2.948 0 40 GFAB C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccc(S(N)(=O)=O)c1 71062308 LOFUJKUHXXEKFL-NSHDSACASA-N 392.864 2.641 0 40 GFAB CC(=O)N[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 57926879 GHDAPSYQYNESJL-NRFANRHFSA-N 393.487 2.675 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1 58064174 QPFGZBSSTYZDNP-UHFFFAOYSA-N 376.482 2.693 0 40 GFAB CON(C)C(=O)c1ccccc1NC(=O)CCCn1c(=O)oc2ccccc21 58174946 FTNIRWBDLOICQZ-UHFFFAOYSA-N 383.404 2.647 0 40 GFAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106756192 RUBQMAYVTVWZJJ-WJDWOHSUSA-N 387.461 2.694 0 40 GFAB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 12627619 DBYRTMASYRLLKF-LBPRGKRZSA-N 397.362 2.924 0 40 GFAB COc1c2c(cc3c1[C@@H](Cc1cc(N)c4ccccc4[n+]1C)N(C)CC3)OCO2 20112712 XEPPVVCGCAFDLT-LJQANCHMSA-O 392.479 2.756 0 40 GFAB Cc1cc(O)n2nc(C3CCN(C(=O)CCCn4nc(C)cc4C)CC3)cc2n1 100723861 AJDZSBZKMCVBBX-UHFFFAOYSA-N 396.495 2.743 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 48235030 PSUCGMGUBBCPAK-CQSZACIVSA-N 382.416 2.578 0 40 GFAB COc1cc(CN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OCC(N)=O 102868987 VAJGJYLFDPVDEK-SOIKWTOOSA-N 376.497 2.872 0 40 GFAB NC(=O)N[C@@H](CC(=O)NCCc1ccccc1)c1ccc(Br)cc1 36394135 UFDUYIIXPYURJQ-INIZCTEOSA-N 390.281 2.908 0 40 GFAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Oc1ccc(Br)cc1 102083316 DWJCTICLYKAKRF-GREKMHCPSA-N 390.233 2.552 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100563717 XIKVBMYVPJXHPI-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)COC(=O)c1c[nH]c2ccccc12 19355278 HTUHYVXMWUDDBR-AWEZNQCLSA-N 380.400 2.623 0 40 GFAB O=C(CCCCNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCO2 3354771 HHXPPTRUEHOSQG-UHFFFAOYSA-N 382.463 2.564 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 3350259 UFBQEQANWLRVLF-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB CCN(C(=O)COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C1CCCCC1 11806548 YGBYGWYHFCYENR-SFHVURJKSA-N 378.469 2.758 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CCc4ccccc43)C(=O)[C@H]2C)cc1 12867109 XQIXXKODWRQEAA-BEFAXECRSA-N 377.444 2.956 0 40 GFAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20244699 FXWDMRGZBWZNFU-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)c1ccccc1 37193352 AUSLVXGGDMBGEW-VQTJNVASSA-N 378.476 2.640 0 40 GFAB CC(C)NS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 2710376 CKYSNLKYYDOBAR-UHFFFAOYSA-N 376.463 2.630 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CCc1ccncc1 12803317 QNLSHVPIHQQNIW-OAQYLSRUSA-N 375.476 2.600 0 40 GFAB O=C(COC(=O)c1ccc2ccccc2c1O)NCc1ccc2c(c1)OCO2 3439139 QWNWQTGGNIIEKF-UHFFFAOYSA-N 379.368 2.747 0 40 GFAB NC(=O)c1ccsc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 3404605 BGGBQONUITZYLA-OAHLLOKOSA-N 395.440 2.646 0 40 GFAB Cc1nc(C(=O)Nc2nc(CC(=O)O)cs2)nn1-c1ccc(Cl)cc1 12941124 OHETXAKKZWAOPO-UHFFFAOYSA-N 377.813 2.565 0 40 GFAB O=C(N[C@@H]1CCc2ccccc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13006251 UKMKVSIKBWJYKI-MAUKXSAKSA-N 378.428 2.614 0 40 GFAB COCCn1nc(C(=O)OCc2nc3ccccc3c(C)c2Cl)ccc1=O 49592449 ZCFSCYARYQYOEH-UHFFFAOYSA-N 387.823 2.757 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N[C@H]1CCCc2ccccc21 13692408 NFMGRWGUPMDJNG-IBGZPJMESA-N 389.455 2.915 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC3Cc4ccccc4C3)cc2s1 13685159 RJWCRHHBFJXTMO-UHFFFAOYSA-N 387.486 2.565 0 40 GFAB COc1ccc(OC)c2[nH]c(C(=O)NCCCC(=O)Nc3nccs3)cc12 13729148 WKBKWTIAMZTIJF-UHFFFAOYSA-N 388.449 2.790 0 40 GFAB CCn1c(CNC(=O)[C@@H](C)NC(=O)OCc2ccccc2)nc2ccccc21 39984987 YTZUKWKKVVQDHP-OAHLLOKOSA-N 380.448 2.987 0 40 GFAB Cc1nc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)nn1-c1ccc(F)cc1 65477907 ANQPPCLDHDBUBR-LLVKDONJSA-N 379.395 2.700 0 40 GFAB CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C 14084977 VXONSBPAQXWRRL-UHFFFAOYSA-N 379.482 2.707 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cccnc1SC)c1ccc(OC)c(OC)c1 14380217 QEKGDEBUJWEJHU-AWEZNQCLSA-N 390.461 2.855 0 40 GFAB COc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6811022 RNVYRZQFPDYNLP-OAHLLOKOSA-N 377.437 2.664 0 40 GFAB C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cccc2nsnc12 66934672 DRCOSNSQEOWHOQ-IUODEOHRSA-N 375.475 2.842 0 40 GFAB Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 6981435 MKTALHSNEVHZHH-MRXNPFEDSA-N 392.452 2.844 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 408627869 QNYXJUXHPNUUSI-QGZVFWFLSA-N 390.505 2.650 0 40 GFAB C[C@@H](NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O)c1ccccc1 67317107 MJYVRYWZYWPICK-CQSZACIVSA-N 397.504 2.721 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 7408369 VMOCJTNXHQUJNH-UHFFFAOYSA-N 388.489 2.966 0 40 GFAB O=C(COc1ccccc1P(=O)(O)O)Nc1cccc(Cl)c1Cl 9419536 JRORPYPDXOLPLV-UHFFFAOYSA-N 376.132 2.814 0 40 GFAB in-vitro Cc1nnc(NCc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc12 25005268 ANLUMICHKVKRRN-UHFFFAOYSA-N 398.488 2.571 0 40 GFAB CCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1 16162009 NGJBUYRCCKEDKI-UHFFFAOYSA-N 398.459 2.890 0 40 GFAB COc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)cc2c1OCCO2 7939030 MLGOFWYYFXUEFQ-UHFFFAOYSA-N 383.400 2.603 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 8290962 LKOOXSIRWPKLDD-UHFFFAOYSA-N 386.521 2.933 0 40 GFAB CCc1ccc([C@H](NCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 24747470 DRMFFKOGFRYAJI-IFMALSPDSA-N 395.503 2.815 0 40 GFAB O=C(Cn1nc2n(c1=O)CCCCC2)NC(c1ccccc1)c1ccccc1 8744601 OKZLLPRVJWRTSS-UHFFFAOYSA-N 376.460 2.677 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc(F)c3)C1=O)CC2 22609307 CRIUXMRPZRZHKB-QGZVFWFLSA-N 384.407 2.533 0 40 GFAB CCn1cc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 306142918 XOBXXPYKTDDHQV-SFHVURJKSA-N 379.512 2.926 0 40 GFAB O=c1cc(CSc2n[nH]c(=O)n2C[C@H]2CCCO2)c2cc3c(cc2o1)CCC3 9691210 CTCPLZKQUGPIEU-OAHLLOKOSA-N 399.472 2.638 0 40 GFAB C[C@H](O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)C1 95972457 WPPWGFLPSZVBJU-RYUDHWBXSA-N 383.370 2.830 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(NC(C)C)s2)CC1 9921819 ZJAZBRDXSTXFDU-LLVKDONJSA-N 386.543 2.641 0 40 GFAB COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 89936818 VAJSNIUHAUKOTE-ZNMIVQPWSA-N 393.459 2.856 0 40 GFAB Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 306126017 DJLRFFDKUKACBD-KRWDZBQOSA-N 387.447 2.545 0 40 GFAB CCc1nc2cc(CNC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)ccc2n1C1CC1 556443649 AXHWFBZKDAFIND-UXHICEINSA-N 397.523 2.548 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408561182 HABDGXUCIAOROP-MRXNPFEDSA-N 382.526 2.853 0 40 GFAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 408597699 VWVAJQYDXFYMKA-CQSZACIVSA-N 376.478 2.872 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)C(C)(C)C)[C@@H]3C2=O)c(C)c1 33919025 IPZGPHQTJJWIDX-FJIDUMEYSA-N 379.460 2.633 0 40 GFAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 306126325 DSPORRNAHHAZON-UHFFFAOYSA-N 396.539 2.678 0 40 GFAB O=C1CCC[C@H]2[C@H]3C[C@@H](CN(C(=O)C4(c5ccccc5)CCOCC4)C3)CN12 524731390 VRCSQTYFJAMMOX-BJLQDIEVSA-N 382.504 2.594 0 40 GFAB biogenic O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72359215 KBCXIWNWLQARSR-CQSZACIVSA-N 387.440 2.574 0 40 GFAB O=C(NCCN1CCOCC1)c1ccc(OCCSc2ccccc2)cc1 38753863 DBZXWNWSVOESSI-UHFFFAOYSA-N 386.517 2.920 0 40 GFAB CC(=O)N1CCC(CC(=O)NCCC(C)C)(N2Cc3ccccc3C2=O)CC1 1548348440 LRUPKASEAQOOFZ-UHFFFAOYSA-N 385.508 2.576 0 40 GFAB CCn1c(N2CCN(CC(=O)NCc3cccs3)CC2)nc2ccccc21 35291809 QVPQPGPKDIGUKC-UHFFFAOYSA-N 383.521 2.556 0 40 GFAB COc1ccc(I)cc1S(=O)(=O)N1CCCC[C@H]1C 72414603 STFCEDQRJVUJJM-SNVBAGLBSA-N 395.262 2.863 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70763022 SDBKOUOOJBIWHH-GOSISDBHSA-N 384.398 2.559 0 40 GFAB CCOC(=O)[C@H]1CCCN(c2ncc(-c3nccn3C)c(-c3ccco3)n2)C1 72340778 BXPNYSJOKWXSTP-AWEZNQCLSA-N 381.436 2.917 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2ccccc2Cl)NS(C)(=O)=O)cc1 225955586 KVHMQONIQCCNDX-MRXNPFEDSA-N 382.869 2.968 0 40 GFAB COC(=O)c1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222499251 HKBDYLLJXVVKLT-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB CC(C)C(=O)NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 48324244 KPTZLTRCVIMSKA-UHFFFAOYSA-N 378.416 2.721 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 45403156 RGGYQVDEZWZPTI-ZDUSSCGKSA-N 375.421 2.805 0 40 GFAB CCc1nn2c(ncc3c(=O)n(NC(=O)C(C)C)ccc32)c1-c1ccccc1 40387946 CGSYCAMKWDGPKW-UHFFFAOYSA-N 375.432 3.000 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)[C@H](N)CC(=O)OCc3ccccc3)ccc12 224518135 PWZVZTVBRXAIHO-QGZVFWFLSA-N 380.400 2.501 0 40 GFAB Cn1cnc2c1[C@@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1ccccc1)CC2 96088041 BGTHRLXYPBGCBU-IBGZPJMESA-N 378.407 2.938 0 40 GFAB Cn1c(CO[C@H]2CN(C(=O)COc3ccccc3)C[C@H]2F)nc2ccccc21 96111985 SWWJOXFQZAJJHU-APWZRJJASA-N 383.423 2.718 0 40 GFAB biogenic,in-vitro Cc1cc(CNC(=O)Nc2ccc(C)c(Cl)c2)nc(N2CCOCC2)n1 96121300 SNPRGFSDWPOOHZ-UHFFFAOYSA-N 375.860 2.905 0 40 GFAB CC1=C/C(=C2\C(=O)NC(=O)N=C2O)C=C(C(F)(F)F)N1Cc1ccncc1 96305806 YMDAFACUIJCXLA-UHFFFAOYSA-N 378.310 2.750 0 40 GFAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96050326 CDAACOSFJVRKHB-HXUWFJFHSA-N 399.882 2.690 0 40 GFAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 96053550 ZDRSEPIXSVDUFL-MRXNPFEDSA-N 394.537 2.509 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)CC3)ncc2C1 247908583 CVZMVCJRXMOZEM-RUYXUALKSA-N 382.508 2.523 0 40 GFAB Cn1nnc2c1C[C@H](C(=O)NCCc1c[nH]c3cc(F)c(Cl)cc13)CC2 585124255 WAVBWMYZRYFLCJ-SNVBAGLBSA-N 375.835 2.553 0 40 GFAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3nccs3)CCN21 253408018 XARMUIAMQDBTIR-SFHVURJKSA-N 399.564 2.633 0 40 GFAB biogenic,in-vitro COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 260798371 SKIDJXYSTGOEAW-KBPBESRZSA-N 394.468 2.866 0 40 GFAB O=C(NC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)N1CCC2(CCNCC2)CC1 1616029499 BRVQQDBNLJHVBU-AZUAARDMSA-N 388.531 2.694 0 40 GFAB CN(Cc1oc(-c2ccccc2)nc1C(=O)O)[C@@H]1CCCC[C@H]1S(C)(=O)=O 652426018 BJMUKKLEMVSCGL-GDBMZVCRSA-N 392.477 2.827 0 40 GFAB O=C(O)[C@@H](c1ccsc1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 656764151 UPHVJKJGYQVNMT-JKSUJKDBSA-N 380.491 2.780 0 40 GFAB CNC(=O)C[C@H]1CN(C(=O)c2ccc(OC)c(Cl)c2)Cc2cccn2C1 585099085 JXKKLHKOBDGXRM-CYBMUJFWSA-N 375.856 2.558 0 40 GFAB COc1cc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)ccc1O 11694867 CGEDRCKHRONNKJ-UUWFMWQGSA-N 379.420 2.651 0 40 GFAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)C1=Cc2ccccc2CC1 12947606 NWVLBXZNNHHGBY-UHFFFAOYSA-N 390.549 2.928 0 40 GFAB COC(=O)c1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1C 13717358 BNYQSDALZVUYLC-UHFFFAOYSA-N 380.400 2.797 0 40 GFAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O 13857247 KKEKXWAPTMGFBJ-HNNXBMFYSA-N 392.411 2.607 0 40 GFAB COc1cccc(C(=O)N2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)c1 19017371 GXVNDVNCQRZPPS-HXUWFJFHSA-N 394.475 2.757 0 40 GFAB Cc1cccc(C2(O)CCN(C(=O)COc3ccc4nsnc4c3)CC2)c1 19234493 GWISEXYSOZHWQW-UHFFFAOYSA-N 383.473 2.889 0 40 GFAB CCc1onc(C)c1C(=O)N1CCC([C@@H](NC(C)=O)c2nccs2)CC1 19521088 DIXVNCRIAWRBRQ-MRXNPFEDSA-N 376.482 2.732 0 40 GFAB COc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 19565857 SJVSYWYHKHNUSQ-FQEVSTJZSA-N 384.476 2.712 0 40 GFAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)s1 100119219 UJFLUSJBQVEWCM-KBPBESRZSA-N 380.473 2.699 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)o1 540208351 VTYFFMMBFOJWFZ-MRXNPFEDSA-N 384.885 2.593 0 40 GFAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)C2CC2)CCNC1=O 19571726 ZWVIQNCYEPMQHR-GOSISDBHSA-N 378.472 2.889 0 40 GFAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ncc(C)s1 10556037 VWCGTZTXPHDEJN-CYBMUJFWSA-N 379.507 2.950 0 40 GFAB Cn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1 4287478 JLDYQFFKSSNRPX-UHFFFAOYSA-N 393.900 2.996 0 40 GFAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C2)nn1 1888897395 AETOHPOFCMBGOB-ZDUSSCGKSA-N 380.452 2.587 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 14910567 CDVJKUQYVKTQNW-UHFFFAOYSA-N 387.505 2.854 0 40 GFAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 23053430 AKLWYWSWQFQCQM-SFHVURJKSA-N 380.485 2.986 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238903591 RRPZSTQBXOGTQI-DLBZAZTESA-N 387.436 2.922 0 40 GFAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4C)nc32)cc1 4518736 IXAHVNRMYOQCBJ-UHFFFAOYSA-N 389.415 2.582 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1 5396228 OGZFMHKSZAKUEH-UHFFFAOYSA-N 381.407 2.765 0 40 GFAB COCCn1c(SCc2ccccc2F)nnc1-c1cn(C)nc1OC 12422666 GETQLZAKAYBPPJ-UHFFFAOYSA-N 377.445 2.765 0 40 GFAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)NC1CCCC1 22768035 SMWDIBVSYYJORZ-UHFFFAOYSA-N 395.438 2.658 0 40 GFAB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23106165 RDXRYPVPNJHFFD-QGZVFWFLSA-N 388.439 2.646 0 40 GFAB COC(=O)c1ccc(Cn2nc(C)c3cnn(-c4cccc(Cl)c4)c3c2=O)o1 12228168 QPDPSUQCSPTBOR-UHFFFAOYSA-N 398.806 2.972 0 40 GFAB C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCCO4)cc2)C[C@@H](C)O1 40082127 VONNGVZXNZPUNV-IAGOWNOFSA-N 396.487 2.997 0 40 GFAB Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 40039463 OCJZLFZDYGZQGC-GFCCVEGCSA-N 382.532 2.661 0 40 GFAB COC(=O)/C(=C/Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 100025859 RYIZBIDSWAFVQV-PDGQHHTCSA-N 389.429 2.666 0 40 GFAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 100563733 UHIKKLARGMKIGC-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB CN(CC(=O)NC[C@H]1COc2ccccc2O1)Cc1nc2ccccc2s1 32836224 QBOMZDLVENRBIA-AWEZNQCLSA-N 383.473 2.684 0 40 GFAB COc1cc(Br)c(CCNc2cc(C)nc3ncnn23)cc1OC 32808482 RDULUHYKKZYIQS-UHFFFAOYSA-N 392.257 2.867 0 40 GFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 727713 XEGCSRPOSDOXDK-ZDUSSCGKSA-N 399.241 2.697 0 40 GFAB biogenic,in-vitro CCOC(=O)c1c(OCCOC(=O)c2ccc(Cl)cc2Cl)noc1N 2555684 CIQCOVWEIBGZJW-UHFFFAOYSA-N 389.191 2.976 0 40 GFAB CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c1 2639564 XIMOZRHVNVANEC-UHFFFAOYSA-N 379.390 2.794 0 40 GFAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 2703848 UZDPCTXDMFUTTL-GOSISDBHSA-N 393.395 2.771 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3228684 RJEIBLLXJXVFTI-UHFFFAOYSA-N 396.424 2.774 0 40 GFAB Cc1c(NC(=O)CSc2ccccc2C(=O)O)c(=O)n(-c2ccccc2)n1C 3379339 WDGWYAVMAFUOCF-UHFFFAOYSA-N 397.456 2.913 0 40 GFAB O=C(OCC(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3434198 RGXDAIQWLOCFRD-UHFFFAOYSA-N 379.459 2.572 0 40 GFAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NCc2ccccc2Cl)c2ccccc21 4045734 ZUAVWGDAPOBCFV-QFBILLFUSA-N 384.819 2.816 0 40 GFAB biogenic COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(OC)c1 4076430 LJDAFJYMNIWVDF-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCc1ccco1 4101472 QYSPUPHKXNBCJB-UHFFFAOYSA-N 383.408 2.932 0 40 GFAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505283 CRMBCEGVRICICD-QGZVFWFLSA-N 381.519 2.674 0 40 GFAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O 4849491 HGCRUQFTBNTXMS-UHFFFAOYSA-N 398.488 2.830 0 40 GFAB CC(C)[C@@H](OC(=O)CCC(=O)Nc1nccs1)C(=O)NC1CCCCC1 4911042 KEHZQTOTUGHQPF-MRXNPFEDSA-N 381.498 2.879 0 40 GFAB CC(=O)N1CCN(C(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)CC1 4941146 BIWLZMZEIVRDGD-UHFFFAOYSA-N 397.866 2.687 0 40 GFAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)o1 5169270 PZUOCMDRGJASRL-UHFFFAOYSA-N 378.388 2.627 0 40 GFAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1N1CCOCC1 5689830 CEFHGFRZOKVDGN-UHFFFAOYSA-N 381.432 2.850 0 40 GFAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2NS(C)(=O)=O)c1 6228871 FKMZSBBNKJXKIL-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB CCCCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 6647821 IKUIIYYOTJCQRL-MRXNPFEDSA-N 382.526 2.715 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)cc2)n(C)c1=O 8628272 IVBBKTOHLMJIKS-OAHLLOKOSA-N 381.480 2.793 0 40 GFAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)NC(=O)NC1CCCCC1 8747653 JCMLZTMTRLNNHA-GFCCVEGCSA-N 376.457 2.613 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 9067069 BQCSZFMKCWVHRE-KRWDZBQOSA-N 385.439 2.682 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccccc4Cl)cnc32)cc1 10251449 QPYGMVJDAGBJOV-UHFFFAOYSA-N 379.807 2.928 0 40 GFAB C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 11497634 RHWKPVUUNVNUGY-CYBMUJFWSA-N 395.297 2.549 0 40 GFAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 11565882 FDANMDJBRLDINO-UHFFFAOYSA-N 382.526 2.793 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1ccccc1Cl 12146292 VRKQKZRESWBAHJ-SFHVURJKSA-N 397.862 2.608 0 40 GFAB O=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc(Br)cc3)c12 12408693 JDQRFOWZYWAVEY-UHFFFAOYSA-N 387.237 2.584 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1 12576830 MUEIWBGCDKKSHK-FQEVSTJZSA-N 394.450 2.812 0 40 GFAB COc1coc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c1OC 12669457 WFJSRTPBKXZNAD-UHFFFAOYSA-N 384.392 2.762 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 12993575 DXBDWSKTFPAVCT-UHFFFAOYSA-N 388.471 2.993 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13006771 WDYMRKXNAXAYAW-UHFFFAOYSA-N 381.476 2.765 0 40 GFAB Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 13548893 JPASEUFMWVKXCO-LBPRGKRZSA-N 383.470 2.630 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 13670206 BBFUFUKZBYWLDT-UHFFFAOYSA-N 390.505 2.730 0 40 GFAB CC(C)NC(=O)CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 14188960 HHNZSTQJYWYRJJ-UHFFFAOYSA-N 397.544 2.796 0 40 GFAB COc1ccc(C(=O)Nc2cccc3cccnc23)cc1S(=O)(=O)N(C)C 14517324 VUCXBLBTLUZPDV-UHFFFAOYSA-N 385.445 2.746 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(S(C)(=O)=O)cc1 15359039 VJEJBQURYSMOFN-ZDUSSCGKSA-N 379.503 2.618 0 40 GFAB Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1 19287695 XYSOTIJHGHPEFS-NVXWUHKLSA-N 395.463 2.508 0 40 GFAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N(Cc1cccnc1)C1CCCCC1 19338549 FJXRCIJEWDUHQB-UHFFFAOYSA-N 398.507 2.998 0 40 GFAB COc1cccc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)[C@@H]3CCCN[C@H]23)c1 19566446 BTNZBCIVEHNSRQ-WOIUINJBSA-N 394.471 2.827 0 40 GFAB CN(C)c1ncc(C(=O)N2CCc3onc(Nc4ccccc4F)c3C2)cn1 19585430 UPGRHKACFGLVMR-UHFFFAOYSA-N 382.399 2.612 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19705611 OLXCGNPTLZJOHD-QGZVFWFLSA-N 382.464 2.846 0 40 GFAB CN(C(=O)c1nccc2ccccc12)[C@@H]1CCCN(C(=O)c2cc[nH]n2)CC1 19749663 QRRFVMPVXNOZCA-MRXNPFEDSA-N 377.448 2.725 0 40 GFAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 22402142 OJPXLTGCBKLZFX-UHFFFAOYSA-N 399.516 2.719 0 40 GFAB COC(=O)[C@H](OC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)c1ccccc1 23222684 MNJMNEFSOVWJRC-GOSISDBHSA-N 384.388 2.675 0 40 GFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc(OC)c(OC)c1 23673916 WHBLJZGDMNNSAF-SFHVURJKSA-N 375.421 2.675 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](c2ccccc2)C(C)C)c1=O 23773300 FDIYTMXCHCSPIK-FQEVSTJZSA-N 379.460 2.697 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 28207251 ACBNNKLWLLMKFY-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB O=C(c1cccs1)c1ccccc1C(=O)N1CCN(c2ncccn2)CC1 30057609 IURIDAXAKOEWCG-UHFFFAOYSA-N 378.457 2.732 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)c1 32123947 OPQQPOPEHZDCTB-KRWDZBQOSA-N 380.404 2.764 0 40 GFAB biogenic CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C)cc2C)CC1 32396353 IOTKAHBVSBXHBA-UHFFFAOYSA-N 389.496 2.551 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccs3)C2)s1 32903760 KPMCFNVHVXFFMQ-ZDUSSCGKSA-N 384.548 2.835 0 40 GFAB Cc1cccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080495 JMQRMUWVQLPHCF-FFZOFVMBSA-N 384.501 2.570 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 36585015 PBEOQKTUWUYVGP-RDXCRGQUSA-N 381.407 2.714 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c1 38754645 NDQOWPPZSDNSNB-UHFFFAOYSA-N 390.505 2.730 0 40 GFAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc(OCC(C)C)c(OC)c1 40049146 ZXDNZYZMQSTHCV-HNNXBMFYSA-N 381.494 2.851 0 40 GFAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)NC(=O)CO2 40069628 QGBOYYOCTPTWNR-UHFFFAOYSA-N 389.411 2.929 0 40 GFAB O=S(=O)(c1cc(-c2ccno2)cs1)N1CCN(Cc2ccccc2)CC1 44919596 LEVCSPZWBAZBBN-UHFFFAOYSA-N 389.502 2.910 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NCCc2ccccc2)CC1 48362749 BWEZSMIZVHAHOA-UHFFFAOYSA-N 390.487 2.807 0 40 GFAB C[C@H](OCC(F)(F)F)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 53019488 NBQCGSOHPCQLJI-NSHDSACASA-N 376.350 2.514 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2ccccc2-n2ccnc2)C1=O 55696226 QAENNNWLFMOOQY-MRXNPFEDSA-N 390.443 2.693 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc(-c2ccccn2)nn1 56908190 DNAMXNQTQPVGOT-CQSZACIVSA-N 382.395 2.640 0 40 GFAB CN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 57200930 SOOURSAASJWNLH-CQSZACIVSA-N 395.345 2.669 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccnn1Cc1ccccc1 57897488 RSFCXOPXIVKYSY-UHFFFAOYSA-N 381.461 2.696 0 40 GFAB Cc1noc(C)c1Cn1nc(CNc2ccc(Br)cc2)[nH]c1=O 61718589 ZMOLWUBWXUPZSG-UHFFFAOYSA-N 378.230 2.599 0 40 GFAB NC(=O)c1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 65565547 QYZCRCPYIFJGND-HNNXBMFYSA-N 379.416 2.712 0 40 GFAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)c1 71327402 MXQKBMPFGOUMMJ-UHFFFAOYSA-N 395.438 2.911 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(F)ccc4F)C[C@H]32)c(OC)n1 72392606 SOPOYDWJKSPQPM-BXJCWQANSA-N 391.418 2.502 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccc(OC(F)(F)F)cc1 77184955 ULSOCCGSBLZWBQ-INIZCTEOSA-N 387.379 2.698 0 40 GFAB CC(C)[C@H](CN1CCOCC1)NC(=O)/C=C/c1ccc(Br)s1 79071123 KCDQLUUXOVJGBF-YVZNUBBCSA-N 387.343 2.997 0 40 GFAB COc1ccccc1Cn1c(=O)c2sccc2n(Cc2c(C)noc2C)c1=O 90610262 JSLUNLQUXULJRN-UHFFFAOYSA-N 397.456 2.935 0 40 GFAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccc(=O)oc2c1 95943237 AOWYMTBFBZWPOG-JXFKEZNVSA-N 392.455 2.809 0 40 GFAB CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1 96237730 HWMGOJKJMCCNOX-HSZRJFAPSA-N 377.488 2.812 0 40 GFAB COc1ccc(CCNc2ccc(S(=O)(=O)NC(C)C)cc2C(=O)O)cc1 217547183 GIQBEBMQXVBCOY-UHFFFAOYSA-N 392.477 2.735 0 40 GFAB Cc1ncn(CC(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)c(=O)c1C 219324923 GWNROSLHMBHEBM-QGZVFWFLSA-N 393.459 2.845 0 40 GFAB COc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c(OC)c1 222427352 UGGPNGIDOYTKNS-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1C 222991446 XWICDIWUGZTXMY-LJQANCHMSA-N 390.505 2.865 0 40 GFAB CC(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 223836036 VBFZDACWUMMKRZ-UHFFFAOYSA-N 390.505 2.869 0 40 GFAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc(F)cc2)c1 224397674 YKKFAHJFENKIDA-UHFFFAOYSA-N 386.832 2.659 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)Cc1ccccc1F 225096002 XESPLXPKMNINBE-UHFFFAOYSA-N 398.887 2.600 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1 225899482 RJPJQPQITFXQKP-JTQLQIEISA-N 377.436 2.807 0 40 GFAB CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)[C@H](c2ccccc2)C1 247963700 GREDHTBMIOQSCM-PXNSSMCTSA-N 381.451 2.694 0 40 GFAB CC(C)Oc1ncccc1CNC(=O)c1ccc(OCC2CCOCC2)nc1 253395390 BVUMWAVLYMGEDS-UHFFFAOYSA-N 385.464 2.999 0 40 GFAB CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257269334 MPNLUWMCCBXUSM-RHJNXEHESA-N 396.535 2.575 0 40 GFAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)N2C(=O)c2cnccn2)N1 257286020 PJWCZVCTYWICLJ-ZIFCJYIRSA-N 382.439 2.500 0 40 GFAB COc1cccc([C@H]2C[C@@H](NC(C)=O)CC3(CCN(C(C)=O)CC3)O2)c1F 257295864 RAEPFYIVRXAAAE-CRAIPNDOSA-N 378.444 2.572 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@H]3C4)s2)cc1 260795835 LUXPZZFHQHZNBM-UBHSHLNASA-N 392.506 2.566 0 40 GFAB c1cc(-c2ccc3c([C@H]4CN(Cc5nccs5)CCO4)nnn3c2)ccn1 306144351 ZDADYQBKVDAEQO-QGZVFWFLSA-N 378.461 2.821 0 40 GFAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC(c2ncc[nH]2)CC1 522124191 COHJTCBGVYCOPG-UHFFFAOYSA-N 379.464 2.533 0 40 GFAB CSCC[C@@H](C(=O)Nc1cccc(O)c1)n1c(O)nc2ccccc2c1=O 524733037 NPNHAKABJWBSRF-INIZCTEOSA-N 385.445 2.741 0 40 GFAB O=C(NC[C@H]1CCCS1(=O)=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 562594869 VSLOGRHYZUNRIJ-QGZVFWFLSA-N 386.464 2.506 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575610105 SHEHJQMJFBGRHY-XAVKZTDYSA-N 379.869 2.974 0 40 GFAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)C(F)(F)C2(O)CCCC2)C1 585080904 MSBVUVRFFQKDAB-QGZVFWFLSA-N 381.467 2.692 0 40 GFAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(C)c4)CC3)[C@H]2C1 585106044 HFYLIDTYZYMKKR-AHRSYUTCSA-N 383.536 2.694 0 40 GFAB Cc1cc(C)n([C@@H](CNS(=O)(=O)c2c(C)noc2C)c2cccs2)n1 585369389 YAGDPACRSPIVLP-AWEZNQCLSA-N 380.495 2.734 0 40 GFAB COc1cc(C)nc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)n1 598968848 DQMATQWCPYSXCR-UHFFFAOYSA-N 395.488 2.880 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440821 GZQUWPDCTXDXIJ-ZDUSSCGKSA-N 398.207 2.740 0 40 GFAB CC(C)(C)n1nnc(CC(=O)Nc2c(-c3ccccc3)nc3ccccn23)n1 665582974 XFBSSOCPSNNPLY-UHFFFAOYSA-N 375.436 2.924 0 40 GFAB C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H]2CCCO2)CCO1 670294380 PWBIHOABPYRIEZ-HOTGVXAUSA-N 381.480 2.841 0 40 GFAB CC(C)[C@H](CNC(=O)N1CCC2(CC1)NC(=O)CO2)c1ccc(Cl)cc1 1615589299 KHTRDQSUAWOXGZ-INIZCTEOSA-N 379.888 2.728 0 40 GFAB CC(C)N1C(=O)C[C@H]2[C@H](CNS(=O)(=O)c3ccc(F)cc3F)[C@@H](C)C[C@H]21 1775964282 ALVGIODZMUQJDA-YYWXWVFPSA-N 386.464 2.525 0 40 GFAB biogenic,in-vitro COc1nccnc1N(C)CC1CCN(Cc2ccc3c(c2)OCCO3)CC1 1776009581 KEJKFIYDYLXZHV-UHFFFAOYSA-N 384.480 2.605 0 40 GFAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3C2)nn1 1888875923 KNIMKIMXDBMCIU-HUUCEWRRSA-N 381.480 2.848 0 40 GFAB Cc1cc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n2ncnc2n1 1889149330 AAKYABRLDRZXBR-OCCSQVGLSA-N 389.385 2.562 0 40 GFAB COc1ccc(Cn2cc(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)nn2)cc1 2087073113 RZVJNJWGKAOKBQ-CQSZACIVSA-N 396.447 2.843 0 40 GFAB CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1 2405278 CBIAHZNHONPZEF-UHFFFAOYSA-N 387.509 2.729 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)NCCCc3ccccc3)n2N)cc1 3272681 DEZQLYYDAVVFPG-UHFFFAOYSA-N 381.505 2.808 0 40 GFAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 3356253 GBSNJZRBCGOOGO-GFCCVEGCSA-N 398.937 2.827 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3460687 AGWKQCZYVNMJAY-LJQANCHMSA-N 387.823 2.754 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1Cl 3463892 UNBNTCSOCFNAFJ-FQEVSTJZSA-N 383.835 2.980 0 40 GFAB O=C(COC(=O)c1ccc(Br)cc1)NC(=O)NCc1ccccc1 3508609 IDVVQLOGJLALHZ-UHFFFAOYSA-N 391.221 2.632 0 40 GFAB O=C(/C=C/c1cccc(Cl)c1)OCCNC1=NS(=O)(=O)c2ccccc21 3583277 PJSXDPHURBLNOP-CMDGGOBGSA-N 390.848 2.635 0 40 GFAB COc1ccccc1N(CN1CCCC1=O)C(=O)c1cccc(OC)c1OC 4137966 AWDOSQULLFLHTQ-UHFFFAOYSA-N 384.432 2.939 0 40 GFAB Cc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4Cl)CC3)cnc2s1 4303485 KARZGHQXFRIGFV-UHFFFAOYSA-N 388.880 2.680 0 40 GFAB O=C(NC1CCCCC1)NC1(C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 4356358 NYYWDZXFMPIOHW-SFHVURJKSA-N 376.545 2.628 0 40 GFAB CC(C)CCn1c(=O)c2c(nc(SCc3ccccc3F)n2C)n(C)c1=O 4910195 WCDKUHJSQLAHGG-UHFFFAOYSA-N 390.484 2.911 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(c2cccc(OC)c2OC)=NO1 5030067 IWZMLMYZRUIZDD-QGZVFWFLSA-N 384.388 2.622 0 40 GFAB CCOc1ccc(N2C[C@H](NC(=O)CCc3ccc(OC)cc3)CC2=O)cc1 5220405 HEQOQQMLMILSPQ-QGZVFWFLSA-N 382.460 2.948 0 40 GFAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2ccnc2)cc1 5266992 AOFUCPBRKGHPND-HNNXBMFYSA-N 398.488 2.614 0 40 GFAB CCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)C1 5642780 JEUVJELJHKDDFD-MRXNPFEDSA-N 394.479 2.790 0 40 GFAB CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/C)NCc2ccc(F)cc2)C1=O 5799700 YURNWUGMGQSADZ-QGOAFFKASA-N 397.406 2.871 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 6646108 FFBISRRZTPMMHX-LZVKGNEYSA-N 391.398 2.849 0 40 GFAB COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)n3nnnc3N2)cc1OC 6756399 OKGJKPZQDOUAHU-GJZGRUSLSA-N 397.435 2.854 0 40 GFAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCc2ccccc21 6867210 KBPZBPVMXWZKKQ-UHFFFAOYSA-N 399.516 2.862 0 40 GFAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421172 WZUDNUCNLKRTEY-UHFFFAOYSA-N 387.827 2.552 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2sccc2C)cc1 7898248 PCTDNSOTBTZJLB-AWEZNQCLSA-N 396.534 2.642 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 7917914 XILCYZIEXNUNDN-CYBMUJFWSA-N 391.470 2.947 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8036787 QCOIXXAQSYBUBH-HNNXBMFYSA-N 398.390 2.563 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c(OC)c1 8217442 GBLIHTGQJNLLJW-LLVKDONJSA-N 375.812 2.744 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)NCCCc3ccccc3)C(=O)[C@@H]2C)cc1 8342418 GTDVQNWMLADQEX-KRWDZBQOSA-N 379.460 2.901 0 40 GFAB O=C(CCNC(=O)c1ccc(Br)cc1)NOCc1ccccc1 8881343 IDDRAWYJZXZVCM-UHFFFAOYSA-N 377.238 2.817 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1F 9168820 HQQRMTODJMXZKK-UHFFFAOYSA-N 394.424 2.992 0 40 GFAB Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)s1 10627026 NXEXCTWZONYLFF-AWEZNQCLSA-N 381.523 2.991 0 40 GFAB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCCO2 10687390 PHZPVAFKPRSIIG-UHFFFAOYSA-N 375.446 2.792 0 40 GFAB CCOC(=O)[C@H]1[C@@H](c2cccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 11859262 BDOPAXJBLZPCLB-CPUCHLNUSA-N 398.406 2.789 0 40 GFAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)c3snnc3C)nn2c1O 12161787 QJZOJPDNKKCKHL-CQSZACIVSA-N 386.481 2.833 0 40 GFAB COC[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 12176147 LOFFXTKTIVGHND-GFCCVEGCSA-N 389.473 2.830 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)o1 12293873 ASVLBPYEXILNHB-UHFFFAOYSA-N 379.210 2.767 0 40 GFAB NC(=O)N[C@@H](CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccccc1 12754980 UDKLMEWTQWVEHP-FQEVSTJZSA-N 380.492 2.698 0 40 GFAB CN(Cc1ccsc1)C(=O)COC(=O)c1cccc(CN2CCCC2=O)c1 12756962 JPWOCYLLSZDMED-UHFFFAOYSA-N 386.473 2.686 0 40 GFAB Cc1ccc(NC(=O)Cc2nc(CN3CCN(C(=O)C4CC4)CC3)cs2)cc1 12774667 VACBTBYLAOGCAW-UHFFFAOYSA-N 398.532 2.687 0 40 GFAB O=C(NCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 12816682 IBLHDEORZYDFNG-UHFFFAOYSA-N 385.895 2.804 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 12818280 CCCLXCQLWNMPNA-MRXNPFEDSA-N 376.478 2.524 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2c1 12853079 XSFURZOKOSZRHN-CHWSQXEVSA-N 387.461 2.809 0 40 GFAB CC(C)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13069534 DFZRJHVKNGUOPF-OAHLLOKOSA-N 384.432 2.933 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13266020 KHWAOLPGHJOMTM-HNNXBMFYSA-N 393.422 2.727 0 40 GFAB O=C1S/C(=C\c2cccs2)C(=O)N1CCC(=O)N1CCCC[C@@H]1CCO 13573480 KIMKTXPNWXCVAL-DKXRRRNBSA-N 394.518 2.938 0 40 GFAB COc1ccccc1CNC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O 14163133 ZQMIQHSIDWTDKW-UHFFFAOYSA-N 383.423 2.871 0 40 GFAB Cc1cc(C)c(CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(=O)[nH]1 14317714 NNOATYOKXVUIAG-UHFFFAOYSA-N 380.448 2.666 0 40 GFAB COc1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)c(OC)c1 15015200 XIRCITFCHBEVHI-LICLKQGHSA-N 379.441 2.691 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1 15335973 HQVLSMJKGRTCHP-UHFFFAOYSA-N 387.505 2.719 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1S(=O)(=O)N1CCOCC1 15792345 OLTBRCMQFCQBIR-QGPMSJSTSA-N 394.537 2.570 0 40 GFAB Cc1ccc(CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 15858216 XWFOANZBINHLAR-UHFFFAOYSA-N 392.864 2.645 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19079479 CXPMOVBPKMCQAU-OAHLLOKOSA-N 398.482 2.777 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1 19211415 SOCXMZSPUGMGNR-OAHLLOKOSA-N 399.476 2.712 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCCC3)CC1)O2 19218049 AWYQSWCCOKHSEM-ZHRRBRCNSA-N 384.476 2.722 0 40 GFAB CCOc1ncc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)c(OCC)n1 19531729 PPVNNGXDSVZQKB-UHFFFAOYSA-N 387.480 2.766 0 40 GFAB CCn1c(C)nc2cc(NC(=O)C[C@@H]3NC(=O)N(C4CCCCC4)C3=O)ccc21 19656476 BAZAFFWPNNTRCB-KRWDZBQOSA-N 397.479 2.946 0 40 GFAB C[C@H]1CCc2nc(NC(=O)CN3CCC(Oc4cnccn4)CC3)sc2C1 19658803 FTEYKMIDDPDFBZ-ZDUSSCGKSA-N 387.509 2.540 0 40 GFAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@H]1CCCOC1 19696583 AZQJMXHLSGZEMX-PGRDOPGGSA-N 397.475 2.560 0 40 GFAB CC1CCN(C2=NC(=O)[C@H](CC(=O)Nc3cccc(Cl)c3Cl)N2)CC1 20028175 HDHXTXMZJPSEJC-ZDUSSCGKSA-N 383.279 2.908 0 40 GFAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20105721 PYYVJQYEYNTZGA-AWEZNQCLSA-N 394.468 2.868 0 40 GFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(F)c1 22252654 SGHMOZDYZYDELZ-UHFFFAOYSA-N 396.440 2.881 0 40 GFAB Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22432229 SSCXJVBJOLVAFR-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)CSc3cccc[n+]3[O-])o2)cc1 22761806 UJFRZDMHXBMHQF-GFCCVEGCSA-N 387.417 2.775 0 40 GFAB C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(N)=O)C(=O)c1c[nH]c2ccccc12 23043197 XEUUABXDPWOTDD-SCLBCKFNSA-N 379.416 2.562 0 40 GFAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccccc1 23270161 IQNRUJBVHYCXJC-IBGZPJMESA-N 390.443 2.857 0 40 GFAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051280 SAZMOVYKNZUFCG-UHFFFAOYSA-N 391.873 2.703 0 40 GFAB O=C(COc1ccccc1C(=O)N1CCOCC1)NCc1ccc(Cl)cc1 24438137 OAVSJMWOHWGGPV-UHFFFAOYSA-N 388.851 2.508 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1cccs1 24574734 ZZNDMDGYSBFSCW-IAGOWNOFSA-N 384.505 2.702 0 40 GFAB CC(=O)N1CCN(C(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 27477566 WUXMHIWTTXPXIL-UHFFFAOYSA-N 392.459 2.526 0 40 GFAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 27999517 DTLGHEBWBAEDNJ-MRXNPFEDSA-N 387.505 2.538 0 40 GFAB Cc1nc2c(cc1C(=O)NC[C@H](C)N1CCc3ccccc3C1)c(C)nn2C 30112608 OULADNZPOOCJEE-AWEZNQCLSA-N 377.492 2.762 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)cc1 31605726 JSMKAUADUSNIJO-OFFHKIPUSA-N 387.823 2.678 0 40 GFAB O=c1/c(=C/c2ccco2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 31895977 VQLHHFPYONZRRL-BKHFDQEPSA-N 385.448 2.959 0 40 GFAB COc1ccc(CN2CCN([C@H](C)C(=O)NC3CCCCC3)CC2)cc1F 32738506 CQBFAOMIODWVCY-MRXNPFEDSA-N 377.504 2.789 0 40 GFAB Cc1ccc2cc(CN(C(=O)c3cnccn3)C3CCCC3)c3nnnn3c2c1 35289711 DSVDUHJSXPMFPX-UHFFFAOYSA-N 387.447 2.961 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 36393779 NOIOXLSOWJLYQT-UHFFFAOYSA-N 378.310 2.840 0 40 GFAB CC(C)n1nccc1-c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 38871958 AFFXVIJJGDXMBV-LBPRGKRZSA-N 398.398 2.645 0 40 GFAB COCc1nn2c(ncc3c(=O)n(N(C)C)ccc32)c1-c1ccc(Cl)cc1 40397849 MELBWYOMDDJCAL-UHFFFAOYSA-N 383.839 2.709 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)cc1 44276777 UEJSGCTYPFRLQS-UHFFFAOYSA-N 396.491 2.747 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 44840086 ZVOYZADKLRHEQK-INIZCTEOSA-N 379.460 2.759 0 40 GFAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccccc1F)N1CCCC1 47032292 DKGPBYPZNQAPPB-QGZVFWFLSA-N 378.469 2.950 0 40 GFAB O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)Nc1cc(F)ccc1F 49008233 OSUZOBJLIGJWPV-UHFFFAOYSA-N 397.341 2.600 0 40 GFAB Cn1cc(CC(=O)N2CCN(C[C@H](O)c3cccs3)CC2)c2ccccc21 49031222 XMYROHUVNDWFTL-IBGZPJMESA-N 383.517 2.660 0 40 GFAB C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 55698624 SAWRSOBAKSHWHN-VIFPVBQESA-N 391.399 2.687 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)N(CC)Cc2ccccc2)c1=O 57477493 GVAABLMVEWFERB-UHFFFAOYSA-N 379.460 2.622 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cccc(C)c2C)CC1 58165278 ILCINQMLKUELKC-QFIPXVFZSA-N 393.531 2.742 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NCc1ccccc1N1CCCC1 58226415 UBSDJHGDDNYVGN-UHFFFAOYSA-N 376.460 2.703 0 40 GFAB CC(=O)N1CCO[C@]2(CCCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 63527666 CIVLBQHBKZNIFI-QGZVFWFLSA-N 388.361 2.698 0 40 GFAB CCn1cc(Br)cc1C(=O)NCc1ccc(CS(C)(=O)=O)cc1 65547367 RFAJHZRFZOYHTL-UHFFFAOYSA-N 399.310 2.745 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1Br 67197519 YXBUEZBMIAFGLO-UHFFFAOYSA-N 392.205 2.651 0 40 GFAB CC1CCC(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)CC1 67317099 ICGNZHRLAHYIRY-UHFFFAOYSA-N 389.525 2.538 0 40 GFAB CSc1ccc(N2C[C@@H](C(=O)NC3(C(=O)O)CCCCC3)CC2=O)cc1 71802780 JNWVANFPQQXGIK-ZDUSSCGKSA-N 376.478 2.665 0 40 GFAB O=C(c1cccc(Nc2ncccn2)c1)N1CCN(CCc2ccncc2)CC1 79494039 XINXWUQOJVVJKX-UHFFFAOYSA-N 388.475 2.616 0 40 GFAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 84028434 PKIWKXOZFSJAPO-UHFFFAOYSA-N 381.797 2.926 0 40 GFAB Cc1cc(Cl)ncc1NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 89600804 CCFSRNIKAVOMEI-UHFFFAOYSA-N 379.869 2.984 0 40 GFAB COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 95443815 RSTSYSYZBXXPLF-IEBWSBKVSA-N 391.493 2.581 0 40 GFAB CCC[C@@H](CC(=O)OC)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 95459290 SYKTYFRKOLIOSI-AWEZNQCLSA-N 389.477 2.786 0 40 GFAB COc1ccc([C@H](CNC(=O)c2cc(OCC(F)F)ccn2)N(C)C)cc1 95465719 XRPQCEURVBRAKG-KRWDZBQOSA-N 379.407 2.767 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2noc(-c3ccc4c(c3)OCO4)n2)cc1OC 96125480 NLPSBLWWQMLMPQ-LLVKDONJSA-N 397.387 2.974 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]21 100036890 XYMLIGXWGQOEGG-IEBWSBKVSA-N 391.431 2.544 0 40 GFAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 105872720 JZTFKLHTJOCROK-UPJWGTAASA-N 397.855 2.682 0 40 GFAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccnc(O[C@H]2CCSC2)c1 225724139 OOUQSEVCNIHDSH-KRWDZBQOSA-N 384.505 2.891 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(=O)C(C)C 225775529 XTLNTTOIPUHJTL-UHFFFAOYSA-N 396.538 2.568 0 40 GFAB COc1ccc(NC(=O)c2cccc(-n3ccnc3S(C)(=O)=O)c2)cc1F 253472596 NUOKFWISYJVSHS-UHFFFAOYSA-N 389.408 2.676 0 40 GFAB Cc1cc(OC2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)nc(C)n1 390826292 HJMGMNSRYRQZGF-GQCTYLIASA-N 381.432 2.905 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 527750876 WJKZWJDYJDPPQE-LSDHHAIUSA-N 378.425 2.614 0 40 GFAB CC1(c2cc(NC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)no2)CCCC1 565818292 VCGILGFUGLPFSN-LSDHHAIUSA-N 382.464 3.319 0 40 GFAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)n1 575404567 OJNRSQFUNQLKTG-CTNGQTDRSA-N 394.471 2.670 0 40 GFAB Cc1nc(N2CCC(Nc3ncnc4c3cnn4C)CC2)cc(C(F)(F)F)n1 575617158 PWRSDPKVOGXQPH-UHFFFAOYSA-N 392.389 2.561 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)N1CCCc2c(OC(F)F)cccc21 580912990 FKBHUZAOJHCYPU-UHFFFAOYSA-N 385.370 2.977 0 40 GFAB Cc1cc(CN2CCC[C@]3(CCCN3C(=O)c3snnc3C)CC2)n(C)n1 585100608 PMAIICMHUKGROH-IBGZPJMESA-N 388.541 2.549 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 585147270 LVYDZMOYOMNYMJ-INIZCTEOSA-N 379.457 2.773 0 40 GFAB C[C@H](C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1)n1cnc2c(N)ncnc21 616407203 UJNUSPSXRVIRBK-GFCCVEGCSA-N 399.480 2.502 0 40 GFAB CCOc1nc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)co1 681356905 PLMVIJWIDZIBNQ-GFCCVEGCSA-N 397.353 2.623 0 40 GFAB O=C(NCCN1C(=O)COc2ccccc21)c1cccn1Cc1cccs1 1115965573 BVWONBNGNRYGOG-UHFFFAOYSA-N 381.457 2.753 0 40 GFAB O=C(NCc1cccc(-c2nn[nH]n2)c1)c1cc(-c2c[nH]c3nccc-3c2)ccn1 1593144138 SRTSUUHEFKHRJA-UHFFFAOYSA-N 396.414 2.687 0 40 GFAB CC1(C)C[C@]2(CCCN2C(=O)CN2CCOCC2)CN1c1cccc(F)c1 1615154770 HBVVSOMOADFDMB-OAQYLSRUSA-N 375.488 2.508 0 40 GFAB CCc1cnc(N2CCC(COc3cc(-n4nc(C)cc4C)ncn3)CC2)nc1 1775971118 WEBBOQQLMGTHNZ-UHFFFAOYSA-N 393.495 2.927 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775971362 NEPWOBUYNPYYJB-UHFFFAOYSA-N 395.438 2.779 0 40 GFAB Cc1cc(C)n(-c2cc(OCC3CCN(C(=O)c4cscn4)CC3)ncn2)n1 1775974178 CKHKOCSQMMUJTA-UHFFFAOYSA-N 398.492 2.667 0 40 GFAB COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)cc1F 1888856905 WAXGNVIXRKJFFR-UHFFFAOYSA-N 384.333 2.606 0 40 GFAB Cc1nc2ccc(OCC3CCN(c4ncnc5cnccc45)CC3)nn2c1C 1888906845 QNWGCTKCZDLGFM-UHFFFAOYSA-N 389.463 2.980 0 40 GFAB O=C(c1cnc2ccccc2n1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888910335 CFRFKHMBWMJEKY-AWEZNQCLSA-N 375.432 2.838 0 40 GFAB CCn1ncc(C(=O)N2CC[C@H]3[C@@H](COCCN3c3cccc(F)c3)C2)c1C 2037985330 GBBZDFSHPLKFHW-UZLBHIALSA-N 386.471 2.718 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985793 WKUHLVDUAHRMDI-HSZRJFAPSA-N 394.471 2.880 0 40 GFAB O=C([C@@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1)N1CCC(F)(F)CC1 2086884692 JQKCLUWLSMATIS-LBPRGKRZSA-N 379.329 2.563 0 40 GFAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1cccc(Cn2cccnc2=O)c1 79100384 IGPMGUFFHXMCNW-QZTJIDSGSA-N 398.463 2.535 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 79487557 XJZUVCPMCQEWIU-CZUORRHYSA-N 377.491 2.975 0 40 GFAB CCN1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)sc2C1 23053418 VNQWANXIVRHRHL-CYBMUJFWSA-N 390.534 2.826 0 40 GFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1 953269 PDUYGZRQLUOFAU-LJQANCHMSA-N 384.501 2.672 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 6138925 AQFIQDOOPDWNFT-GFCCVEGCSA-N 376.906 2.710 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)OCc1nnc(-c2ccc(Cl)cc2)o1 6544312 ZNIXPYDOJUILOJ-UHFFFAOYSA-N 396.790 2.843 0 40 GFAB CCC(CC)[C@@H](CNC(=O)c1ccc2c(c1)OCCCO2)N1CCOCC1 24838540 WGEGUIQFYYDTEB-GOSISDBHSA-N 376.497 2.715 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)CN2C(=O)COc3ccccc32)n1 25013500 PTZNPVCENXILRK-UHFFFAOYSA-N 376.416 2.853 0 40 GFAB COc1cc(C(=O)COC(=O)c2ccc(Cl)cc2N)cc(OC)c1OC 3248420 RAJWNJSJMCAUAK-UHFFFAOYSA-N 379.796 2.988 0 40 GFAB CC(C)[C@H](C(=O)NCc1noc(-c2cccs2)n1)N1C[C@@H](C)O[C@H](C)C1 107090327 RJTRHIBYZOGFNI-XJKCOSOUSA-N 378.498 2.548 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)OCc1nc2ccccc2n1C(F)F 25630522 CRIXGOWYQDQGPP-UHFFFAOYSA-N 399.357 2.670 0 40 GFAB COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1 102648655 IVLMVTZOFRAIBA-OXJNMPFZSA-N 394.537 2.652 0 40 GFAB COc1ccc(OC)c(C(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c1 100158891 DKDSZUMMRPRAOG-GASCZTMLSA-N 395.463 2.845 0 40 GFAB CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2c[nH]c3ncccc23)c1 58159769 BYNNDWZKUCKRPT-UHFFFAOYSA-N 378.841 2.719 0 40 GFAB CN(Cc1ccccc1Br)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 27747378 QYZOUZZXRSKGQD-UHFFFAOYSA-N 387.233 2.947 0 40 GFAB CNC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100718706 PFIFNMIOQYNHRH-KRWDZBQOSA-N 385.464 2.507 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 10302160 IRSOJTZLCONBMB-GFCCVEGCSA-N 379.309 2.671 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 12749468 OANMGBAVLUWMEX-LJQANCHMSA-N 388.489 2.639 0 40 GFAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)c1 2361432 SRJPWSYHXLHEAC-UHFFFAOYSA-N 387.440 2.846 0 40 GFAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 100116612 AVGZRHVGYNGDNY-FQEVSTJZSA-N 377.488 2.753 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(N2CCCC2)n1 67257024 IWAYIYJLVSRYPJ-UHFFFAOYSA-N 390.871 2.590 0 40 GFAB Cc1ccc(NC(=O)N2CCOC[C@H]2C)cc1NC(=O)N1CCOC[C@H]1C 46063708 VRUKOGUCXFTNGK-HUUCEWRRSA-N 376.457 2.500 0 40 GFAB CCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C1 62582011 MXILSTMWZZLWHT-WBVHZDCISA-N 396.553 2.682 0 40 GFAB CCN(CC)C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 2653996 KFBFSRHYRSGSBR-ZDUSSCGKSA-N 379.505 2.990 0 40 GFAB CN1C(=O)[C@@]2(N=C(N)NC(Nc3cccc(Cl)c3Cl)=N2)c2ccccc21 19330269 DVNRGNGNLHKJCU-QGZVFWFLSA-N 389.246 2.509 0 40 GFAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(OC(F)F)cc1 12980081 JBQIESYHLYMRCX-SNVBAGLBSA-N 393.346 2.963 0 40 GFAB O=C1CCCN1C(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 12933788 DDPVYNAIWPPCEO-UHFFFAOYSA-N 387.848 2.927 0 40 GFAB COc1cccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 26780933 AXAVXFQHYBOCFW-SFHVURJKSA-N 376.884 2.911 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC(C)C)C1 9225932 TYHJUDISCPIGJC-MRXNPFEDSA-N 382.526 2.567 0 40 GFAB Cc1ccc(N2C(=O)N(CN3CCN(Cc4ccsc4)CC3)C(=O)[C@@H]2C)cc1 96191554 AVEFLYDSLVTUEN-KRWDZBQOSA-N 398.532 2.989 0 40 GFAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCN(C)C)c(=N)c32)cc1 5345578 ZBRXGVMTEFOXCY-LJQANCHMSA-N 392.459 2.924 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 14322868 BABZVUDRJVXCMR-INIZCTEOSA-N 376.478 2.524 0 40 GFAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1nc(C)cs1 6640003 XEGQPMPEFLSHJX-ZDUSSCGKSA-N 379.507 2.950 0 40 GFAB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(=O)O 409243868 VOOOETCVRSSOKV-CXUHLZMHSA-N 396.399 2.560 0 40 GFAB Cc1nn(C)c2c1[C@@H](c1cccc(F)c1)[C@H](NC(=O)c1ccccc1)C(=O)N2 6779648 LTXQNSHSPLAQKD-MSOLQXFVSA-N 378.407 2.750 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 15100729 NPEOQDVZFSAHCV-UHFFFAOYSA-N 376.453 2.929 0 40 GFAB O=C(CNCc1ccccn1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 95351426 CYWIAIKUMXRRBS-UHFFFAOYSA-N 394.397 2.665 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 409374075 XEEVDHNNQSUYIK-GOSISDBHSA-N 380.400 2.802 0 40 GFAB Cc1csc(=O)n1CC(=O)NCCSc1ccc(Br)cc1 15533313 NEVZWDFCISYYPZ-UHFFFAOYSA-N 387.324 2.889 0 40 GFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2O1 7253018 SHBCHZGFSUFAOX-INIZCTEOSA-N 394.258 2.946 0 40 GFAB COC(=O)[C@@](NC[C@H]1CCCO1)(NC(=O)CCC1CCCCC1)C(F)(F)F 19848878 VZURSNFNPHEJLE-RHSMWYFYSA-N 394.434 2.663 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408975747 MKNIAUHJWODPIA-ZDUSSCGKSA-N 384.395 2.869 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207249 CEAVOPWBTAPPGY-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CSc1ccc(N2C[C@H](C(=O)NC3(C(=O)O)CCCCC3)CC2=O)cc1 71802779 JNWVANFPQQXGIK-CYBMUJFWSA-N 376.478 2.665 0 40 GFAB CCc1ccc([C@@H]2COCCN2C(=O)CN2CCCc3sccc3C2=O)o1 83825448 XQQPNQZSKKRCSB-INIZCTEOSA-N 388.489 2.892 0 40 GFAB O=C(CS(=O)(=O)C1CCCC1)NCCc1ccc(Br)s1 97366597 YECIVNRIUVETIZ-UHFFFAOYSA-N 380.329 2.527 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1 8844146 NEQBLVQYZZGKQI-UHFFFAOYSA-N 387.461 2.556 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1cc(C)nc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 8883796 CUUMYUPPNDUQRV-CABCVRRESA-N 399.582 2.815 0 40 GFAB O=C1CSC(=O)N1[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 28283995 XWWUGMFMOOXMAJ-OLZOCXBDSA-N 388.898 2.625 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 408700939 OPNARMYYAQLRFC-UHFFFAOYSA-N 376.434 2.877 0 40 GFAB O=C([C@@H](c1ccccc1)N1CCSCC1)N1CCN[C@@H](c2ccccc2)C1 1557032845 KUXXYMYRBKLMSV-NHCUHLMSSA-N 381.545 2.950 0 40 GFAB Cc1cc2nc3s/c(=C\c4ccc(O[C@H](C)C(=O)O)cc4)c(=O)n3c2cc1C 408848118 PSXYZUSAKWBXAQ-CCOVPTLTSA-N 394.452 2.926 0 40 GFAB COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)N(C)C2)c1 30879481 YDEUJAZPFZWCJU-YOEHRIQHSA-N 394.435 2.707 0 40 GFAB biogenic,in-vitro CCSc1ccccc1C(=O)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099633 JKKWQWRMEINVCT-UHFFFAOYSA-N 382.445 2.777 0 40 GFAB COC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219709600 BGJICLYSDKIZKN-UHFFFAOYSA-N 390.461 2.513 0 40 GFAB Cc1nn(Cc2ccc(C(=O)N[C@@H](C)C(=O)N3CCCCC3)o2)c(C)c1Cl 72249914 BMRLLFCUBKHNAQ-ZDUSSCGKSA-N 392.887 2.925 0 40 GFAB COC(=O)c1c(C)nc(C)c2c(=O)n(-c3nc(-c4cccs4)n[nH]3)ccc12 72406219 DHEIEFKGGUARSH-UHFFFAOYSA-N 381.417 2.636 0 40 GFAB COC(=O)c1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219708685 PILPVBZVUPUENM-UHFFFAOYSA-N 390.461 2.513 0 40 GFAB O=C(NCCn1ccnc1)c1ccc(-c2cccs2)nc1N1CCSCC1 20202011 UIDNYYRCHKBBTJ-UHFFFAOYSA-N 399.545 2.990 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)ccc21 225695380 MSPTZXQDMLINFR-UHFFFAOYSA-N 392.502 2.912 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(I)c1 225023336 QAECHVRDYPIDND-UHFFFAOYSA-N 380.185 2.951 0 40 GFAB Cc1nc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)co1 225890548 UCSHFMUHYKCZDR-FQEVSTJZSA-N 391.427 2.750 0 40 GFAB CSc1nnc(NS(=O)(=O)Cc2cccc(Br)c2)s1 223931465 QTLVNJBRLLSDQI-UHFFFAOYSA-N 380.314 2.964 0 40 GFAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220445396 LSBJUJYYINQPTJ-ZDUSSCGKSA-N 394.443 2.704 0 40 GFAB Cc1ccc(CN(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 224182570 NAISOPWHZFVHBL-UHFFFAOYSA-N 392.496 2.645 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)Cc3ccc(OC)cc3)ccc2NC1=O 96182216 LFFTVWFVFCGKSV-OAQYLSRUSA-N 398.415 2.529 0 40 GFAB O=C(NCC1CC1)[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2 96240860 DOIRNNBEEVGFHC-KRWDZBQOSA-N 375.444 2.612 0 40 GFAB CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1cccnc1)CC2 96260572 GKRNPPFZMOFITF-UHFFFAOYSA-N 379.508 2.601 0 40 GFAB COc1ccccc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 240765163 ATZZXQBOJBVJSY-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB Cc1noc(C)c1-c1ccc2ccn(CC(=O)NCCNc3ccccn3)c2n1 257272350 NCCBXLNODRWXBF-UHFFFAOYSA-N 390.447 2.931 0 40 GFAB CCn1c(CCC(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)nc2ccccc21 257266040 MBIGBHOJKQCGCM-WOIUINJBSA-N 395.507 2.717 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3cccnn3)CC2)n1 257312827 UPSQGDMSJICIGD-UHFFFAOYSA-N 378.436 2.867 0 40 GFAB CCOc1ccc([C@H](CO)N(C)S(=O)(=O)c2cccc3cnccc23)cc1 1615056449 YICPVLBFTGFKFB-IBGZPJMESA-N 386.473 2.988 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 575403707 MVWAAKPHYONQAB-HXUWFJFHSA-N 394.471 2.950 0 40 GFAB O=C(COc1ccc(F)cc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111288 MSNXDBZBXRWIJC-HXUWFJFHSA-N 395.434 2.880 0 40 GFAB CCCN1CCN(C(=O)CCN)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585183643 YEVLGHUJELREGM-NRFANRHFSA-N 393.531 2.942 0 40 GFAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N(C)C4CCCCC4)nc3c12 12182059 PEBILOYUAFTXOS-UHFFFAOYSA-N 387.509 2.768 0 40 GFAB COc1ccccc1CCCNC(=O)c1sc(N2CCOCC2)nc1C 12192018 KALZEIWPPJDQOV-UHFFFAOYSA-N 375.494 2.659 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 12820071 AJCDAHPXDUTCJF-SECBINFHSA-N 395.282 2.855 0 40 GFAB Cc1nc2ccccc2nc1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 12981853 QSZNHWYQVIFBBF-OAQYLSRUSA-N 390.399 2.634 0 40 GFAB COc1cc(C2=C3C(=O)OC[C@H]3Cc3cc4c(cc32)OCO4)cc(OC)c1OC 13371285 RHQXIIWKHDCEMQ-CYBMUJFWSA-N 396.395 2.972 0 40 GFAB Cn1c(SCc2ccc(F)cc2Cl)nnc1[C@@H]1CCS(=O)(=O)C1 14245457 GWLSSFOJFTYSJT-SNVBAGLBSA-N 375.878 2.802 0 40 GFAB Cc1cc(C(=O)COc2ccc(-n3cnnn3)cc2)c(C)n1-c1nccs1 14319915 VADUCHJBKNSFJD-UHFFFAOYSA-N 380.433 2.788 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15472036 AAHHCAWDDMIFFG-HNNXBMFYSA-N 388.489 2.971 0 40 GFAB CCc1nc2c(n1C(C)=O)SC(c1ccc(OC)c(OC)c1)=NN2C(C)=O 16777655 JZQOXFVHYXLXQP-UHFFFAOYSA-N 388.449 2.943 0 40 GFAB Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2c(C)cc4ccncc42)C3)cnn1C 100145954 XYFYACKRNIMTRY-ROUUACIJSA-N 393.491 2.585 0 40 GFAB Cn1cc(Cl)c(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 577471773 VDPWICSATCXTKQ-FQEVSTJZSA-N 387.915 2.881 0 40 GFAB Cc1nc(COc2ccc(C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)cs1 10268387 XROYNWSBWQQOBQ-SFHVURJKSA-N 381.457 2.987 0 40 GFAB COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1OC 6424214 WMFUZPSDQKZENM-CYBMUJFWSA-N 375.425 2.594 0 40 GFAB Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)c1 21965745 FKHRARCZWDDEHT-KRWDZBQOSA-N 381.451 2.836 0 40 GFAB COCCn1c(S)nc2cc(C(=O)NCCC3=CCCCC3)ccc2c1=O 2969756 OSVGOHXJMQKJEC-UHFFFAOYSA-N 387.505 2.952 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)cc1 4341812 FHIYEBICQBPLRN-UHFFFAOYSA-N 394.822 2.578 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4580595 KJNLCHVJMMHBSW-OAHLLOKOSA-N 389.404 2.667 0 40 GFAB O=C1CCc2cc(S(=O)(=O)Nc3cc(F)ccc3F)cc3c2N1CCC3 5154152 FJXPTYNGOGGIBD-UHFFFAOYSA-N 378.400 2.991 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(=O)n(C)n3)cc2)s1 10324933 RJVIHNNGEVFVFE-UHFFFAOYSA-N 375.475 2.872 0 40 GFAB COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccco3)nc2c1 22998348 GJARDZHKOQFTIN-UHFFFAOYSA-N 387.461 2.877 0 40 GFAB COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23127702 MUSHKOGOERZWSK-UHFFFAOYSA-N 392.521 2.662 0 40 GFAB COc1ccc(NC(=O)CSc2cc(-n3nccc3C)ncn2)cc1OC 49404324 WUWDLGIYWREEIR-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c1 19079276 RLWPNOPZVHVDIG-YWZLYKJASA-N 396.491 2.652 0 40 GFAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 77184981 CHQLZHZMZALQSQ-OAHLLOKOSA-N 388.367 2.609 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccc(F)cc3Cl)C2=O)cc1 101167070 PRSJIFVAKDZPGC-CVEARBPZSA-N 388.786 2.981 0 40 GFAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(S(N)(=O)=O)c3)o2)cc1 40024923 PVMCEMKEPOLUIN-LBPRGKRZSA-N 387.417 2.610 0 40 GFAB COc1cc(OC)c(C2=CCN(c3cncc(-n4cccn4)n3)CC2)c(OC)c1 40119631 IZOGDEDJBJLERJ-UHFFFAOYSA-N 393.447 2.982 0 40 GFAB C[C@H](C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1)S(C)(=O)=O 40133875 IUOLCMQNYXAOKB-SSDOTTSWSA-N 382.385 2.609 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccccc21 30938470 JSCXCAWGVHEGFK-INIZCTEOSA-N 382.388 2.521 0 40 GFAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)s2)o1 31416915 PMIRDPVLWVHTOY-UHFFFAOYSA-N 397.460 2.603 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 100892391 UMAMHMRHBSSIHY-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ncccn1 21210596 UYPSVNYAHXTISR-UHFFFAOYSA-N 388.493 2.613 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1=O 32772894 ZBAOYXOASNXISM-DZGCQCFKSA-N 393.443 2.960 0 40 GFAB COCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc(C)c1C 32893939 HMEWQFICHUEJMM-UHFFFAOYSA-N 379.482 2.894 0 40 GFAB CS(=O)(=O)Nc1cccc2c1CCCN2Cc1nc(Cc2ccccc2)no1 52993129 DYIZLCHJXBJAHS-UHFFFAOYSA-N 398.488 2.985 0 40 GFAB O=C(CSC(=S)N1CCCC1)NCC1(c2ccccc2)CCOCC1 41946830 QYEJPEUFTIFLDH-UHFFFAOYSA-N 378.563 2.965 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1 785444 BNSQDIOVJPRZBZ-UHFFFAOYSA-N 396.852 2.516 0 40 GFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1Cl 810785 OYWPKNNEVMLDDI-UHFFFAOYSA-N 385.228 2.777 0 40 GFAB COc1ccc(N(C(=O)C(Cl)(Cl)Cl)[C@H]2C=CS(=O)(=O)C2)cc1 1295445 RAAMGDNSHXMLGP-JTQLQIEISA-N 384.668 2.709 0 40 GFAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F 2300661 KOIDWUKABZSRTE-INIZCTEOSA-N 387.310 2.854 0 40 GFAB COCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2305809 PIVAUKGZTVMPEP-UHFFFAOYSA-N 389.459 2.786 0 40 GFAB CCOc1ccc(C(=O)OCc2nc3ccc(OC)cc3[n+]([O-])c2C(C)=O)cc1 2451360 GQXCIOWFSCQNOC-UHFFFAOYSA-N 396.399 2.835 0 40 GFAB COC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 3330658 QUPMUSUPBTYRQN-UHFFFAOYSA-N 383.429 2.987 0 40 GFAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1ccccc1O 3530728 ZYNRMBMOOLIQOC-UHFFFAOYSA-N 377.418 2.988 0 40 GFAB Cn1c(C[C@H]2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O 4197215 ARPYLDZNAMLANX-CYBMUJFWSA-N 384.233 2.974 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1 4374639 WXNZFFSZSNBGJP-UHFFFAOYSA-N 384.251 2.968 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 4393250 KUGGZXDTDOYROY-GHYKFQNRSA-N 395.477 2.744 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C2=O 4515481 LITUCMKDDDWCKJ-GAJHUEQPSA-N 397.519 2.968 0 40 GFAB O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccccc1)NC1CCCCC1 4875794 ZZPPLZOCSNCRHH-UHFFFAOYSA-N 399.516 2.960 0 40 GFAB COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c1OC 4944828 JEJWYLZFUUQHOY-ZDUSSCGKSA-N 381.384 2.995 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1F 5190287 QZWKNSPOGZHSJP-NRFANRHFSA-N 382.391 2.801 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1N 5257218 DZKQUJRMBMCDGJ-UHFFFAOYSA-N 389.481 2.557 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@@H]3c1ccccc1 5350539 BQPBWDFVHXCMDY-LJQANCHMSA-N 378.428 2.908 0 40 GFAB COc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)c1 6752892 GEOWXCREVVPKGZ-FQEVSTJZSA-N 379.416 2.719 0 40 GFAB COC(=O)c1cc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1OC 6850068 WVFIQBLPLIIRLN-SFHVURJKSA-N 399.443 2.970 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1 7828966 PKRJUILWNXPUOY-UHFFFAOYSA-N 394.523 2.832 0 40 GFAB CN(CCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7842294 ZHTWIEOMUXSXPV-UHFFFAOYSA-N 388.489 2.622 0 40 GFAB CC(=O)Nc1cccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1 7986742 VUSUGRRTBLBMOP-UHFFFAOYSA-N 392.419 2.821 0 40 GFAB CC(C)[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2[nH]1 7988335 VYRBCLMLIZKTKS-QGZVFWFLSA-N 397.479 2.631 0 40 GFAB Cc1ccc(NC(=O)CCC2CCCC2)cc1S(=O)(=O)N1CCOCC1 8113165 LREMMCUKFFKNMI-UHFFFAOYSA-N 380.510 2.925 0 40 GFAB CC(C)CNc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 8225493 JOOLCAQAGORZIV-UHFFFAOYSA-N 381.523 2.899 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1cccc2ccccc12 8325466 BZHYUZVNTCUBRH-GDBMZVCRSA-N 397.504 2.975 0 40 GFAB Cc1c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)sc2nc3n(c(=O)c12)CCC3 8327006 OTLQMLXBIOTEEB-UHFFFAOYSA-N 396.472 2.667 0 40 GFAB C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccco1 9254750 WWTVIGYGMZQXER-SECBINFHSA-N 377.249 2.742 0 40 GFAB O=C(Cn1c(CCCO)nc2ccccc21)Nc1ccc2c(c1)OCCCO2 9366875 SJKHCVMZJLYOMM-UHFFFAOYSA-N 381.432 2.761 0 40 GFAB CCNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 10385771 UPHLPBSTNYEQMP-UHFFFAOYSA-N 379.416 2.841 0 40 GFAB CC[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccccc1 10536131 NVKMAIRWFVWNOM-INIZCTEOSA-N 393.534 2.519 0 40 GFAB O=C(Nc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1)C1CC1 10767671 JXHUEODRRAANFH-INIZCTEOSA-N 395.434 2.844 0 40 GFAB COc1cccc(COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 11833390 FMCHGLZTQZOCRI-OAHLLOKOSA-N 385.416 2.809 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 12741735 DARAMFDSVHZRAP-UHFFFAOYSA-N 394.471 2.855 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(OCC(C)C)c1 12882341 VXXOGUSCGZNORN-UHFFFAOYSA-N 390.505 2.701 0 40 GFAB O=C1O[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)Cc2ccccc21 12906857 UYPDOFZPBZJHJE-GOSISDBHSA-N 388.427 2.950 0 40 GFAB Cc1cc(Br)ccc1N1C[C@H](C(=O)Nc2nncs2)CC1=O 12926009 FNAGMALBJMMEOG-SECBINFHSA-N 381.255 2.601 0 40 GFAB COC(=O)c1ccccc1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 13001597 KZDITKRYVMEUBK-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)COc1ccccc1Cc1ccccc1 13008715 OUPHQUCSMRVUIC-FQEVSTJZSA-N 378.472 2.926 0 40 GFAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13678737 UPDPWLMGTMHMES-NSHDSACASA-N 391.320 2.814 0 40 GFAB COCCNC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 13717089 VMSFUGJUWZRDOM-UHFFFAOYSA-N 376.840 2.906 0 40 GFAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 16041805 AKBAWETZQQHGRJ-GXTWGEPZSA-N 387.892 2.636 0 40 GFAB biogenic CCOc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 19533096 NDBRSLCDRDTHGS-UHFFFAOYSA-N 394.519 2.860 0 40 GFAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(CC2CC2)CCO1 19580866 SQISVCFNYPDJMM-QHCPKHFHSA-N 379.504 2.860 0 40 GFAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19593565 QFZAPTSLCGOJTQ-QGZVFWFLSA-N 394.475 2.979 0 40 GFAB CCn1cc(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 19711018 MFKQJTZALIJZEK-OAHLLOKOSA-N 382.487 2.875 0 40 GFAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1 19716899 DYYAVVCDBLIRRT-INIZCTEOSA-N 390.509 2.793 0 40 GFAB COC(=O)C[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19960867 NFQOYGSKVUFULD-VAWZGJIGSA-N 392.455 2.767 0 40 GFAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1N1CCCC1=O 20111729 XLDTWXRXTKZCIX-AWEZNQCLSA-N 386.473 2.962 0 40 GFAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)c2cnn(C)c2C)cs1 21615658 ZZBNBSYOUKUOGT-UHFFFAOYSA-N 396.472 2.907 0 40 GFAB Cc1ccc([C@H](CNC(=O)C[C@H](C)n2nc(C)cc2C)N2CCN(C)CC2)cc1 22888235 RDAZQZRCLWKNEX-UNMCSNQZSA-N 397.567 2.864 0 40 GFAB CS(=O)(=O)c1cc(C(=O)Nc2cccnc2-n2cccn2)ccc1Cl 23177237 CCQJAQWLRKGQRU-UHFFFAOYSA-N 376.825 2.577 0 40 GFAB COc1cc(CCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 23386094 UCXFWWWQKSJZMQ-UHFFFAOYSA-N 398.415 2.510 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCc1ccc(C)n1C 23592935 AKHGSODWFPFYFK-UHFFFAOYSA-N 394.401 2.656 0 40 GFAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(CCOc2ccccc2)CC1 23641998 OEDMIGRQCUVEIP-UHFFFAOYSA-N 394.450 2.848 0 40 GFAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)n2)cc1 23873103 IOCPSPISVSNQFO-HXUWFJFHSA-N 378.388 2.712 0 40 GFAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136171 FAPHUWGMKMAKLG-UHFFFAOYSA-N 390.439 2.686 0 40 GFAB Cc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)ccc2o1 24683944 WHZJOJQKRMKVFW-LBPRGKRZSA-N 379.372 2.857 0 40 GFAB Cc1cc(C)nc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)n1 27981034 UZOGTYCKDXUYOW-UHFFFAOYSA-N 376.214 2.946 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@@]12O 28540198 PVAMXWLZJKTXFW-NBDQKABWSA-N 390.520 2.575 0 40 GFAB in-vitro CC(C)NC(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1Cl 30731462 TUKMUSTUGVQFQL-UHFFFAOYSA-N 375.812 2.669 0 40 GFAB CC(C)(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 31874316 GJQAALCEKUPISU-UHFFFAOYSA-N 392.477 2.850 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 32763778 QSMJLHHGLGGSCY-UHFFFAOYSA-N 394.515 2.883 0 40 GFAB CN(C)c1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cn1 32817009 WLKBMIIQJQHNLA-UHFFFAOYSA-N 376.342 2.999 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)c1 32995831 YTIUQGZZULVTRG-GOEBONIOSA-N 398.484 2.718 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)cc1 36364794 NGGSTEQOZSXTJL-UHFFFAOYSA-N 399.410 2.991 0 40 GFAB C[C@@H]1CCN(C(=O)CN2CCN(c3ncccn3)CC2)c2ccccc2S1 36384826 CSPFFLGTNVTLKG-MRXNPFEDSA-N 383.521 2.516 0 40 GFAB CC(C)c1ccc2c(c1)CCCN2C(=O)CCn1cnc2c(cnn2C)c1=O 40090499 VBUMRMWFTQWKHZ-UHFFFAOYSA-N 379.464 2.623 0 40 GFAB NC(=O)c1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 40108858 UJVIFLKYIDTIPN-UHFFFAOYSA-N 395.440 2.839 0 40 GFAB C[C@@H]1CN(C(=O)c2cccc(NS(=O)(=O)Cc3ccc(F)cc3)c2)CCO1 41281872 HECMGFVOCKOMHS-CQSZACIVSA-N 392.452 2.629 0 40 GFAB COC(=O)c1cc(CNC(=O)C2CCN(c3ccc(Cl)cn3)CC2)oc1C 42917186 KNJJJYHUVHUKQP-UHFFFAOYSA-N 391.855 2.956 0 40 GFAB O=C(NCC1CCN(c2ccccn2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 43941397 DKXSKJRAQXGXMG-UHFFFAOYSA-N 390.846 2.845 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 44839926 CJRFMNFJXOTNQF-CQSZACIVSA-N 381.432 2.782 0 40 GFAB COc1cc([C@H](C)NC(=O)c2nccnc2N)ccc1OCc1ccncc1 47673709 YQVMQBPUIVQBGU-ZDUSSCGKSA-N 379.420 2.532 0 40 GFAB O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N(Cc1ccncc1)C1CC1 47840632 JQINAACMPDTWKC-UHFFFAOYSA-N 385.489 2.575 0 40 GFAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 47944071 PIWFOARVTPXEAY-ZDUSSCGKSA-N 385.430 2.766 0 40 GFAB O=c1c2cc(-c3cccs3)nn2cnn1Cc1nc(-c2ccc(F)cc2)no1 49004362 BKQKPDINBHFZTO-UHFFFAOYSA-N 394.391 2.857 0 40 GFAB O=C(NC1CCN(C(=O)c2ccccc2)CC1)C1=NO[C@@H](c2ccccc2)C1 53010183 IWFPNAQZFOFTLX-HXUWFJFHSA-N 377.444 2.925 0 40 GFAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 58180086 IORMMWMHISVKIH-CQSZACIVSA-N 382.416 2.627 0 40 GFAB CCN(CC)S(=O)(=O)N1CCN(CCSc2ccc(Cl)cc2)CC1 58312035 QZDKZXQMEXYWAX-UHFFFAOYSA-N 391.990 2.636 0 40 GFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cccc(C)c2C)c(=O)c1=O 67320390 NGTFWBHMJFIMHO-UHFFFAOYSA-N 381.407 2.702 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 71284872 LZBLDEJBRXMYHI-QZTJIDSGSA-N 380.444 2.954 0 40 GFAB COc1cccc(OCc2ccc(C(=O)N[C@@H](C)C(=O)N3CCCCC3)o2)c1 72249888 BGGDEELIWJAKCO-HNNXBMFYSA-N 386.448 2.998 0 40 GFAB O=C(c1cncc(Br)c1)N1CCCSC[C@H]1CN1CCCC1 79669201 SPHSLJVJQMDJJW-OAHLLOKOSA-N 384.343 2.888 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN([C@H]2CCCC[C@@H]2O)CC1 89768433 GQJQXQCPHMIQSH-GJZGRUSLSA-N 393.336 2.603 0 40 GFAB O=C(N[C@H](CO)Cc1ccc(O)cc1)C1(c2cccc(Cl)c2)CCOCC1 95456335 AATFPQDWUUWEJD-SFHVURJKSA-N 389.879 2.814 0 40 GFAB CC(=O)OCCCc1cccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 96012060 UXTDFKBHYQNPLX-AWEZNQCLSA-N 386.370 2.532 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc1O2 96053355 XFOKVPWVPQYBQR-INIZCTEOSA-N 394.537 2.652 0 40 GFAB COc1ccc(O[C@H]2COCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96113217 ODIXGJQJEYENCA-QGZVFWFLSA-N 397.880 2.817 0 40 GFAB biogenic,in-vitro O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 100398453 YEFCTMCIJSAHED-MTYIDNOTSA-N 377.227 2.691 0 40 GFAB C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 100766702 HSSZLNUCBKRYPI-IZBJGVDFSA-N 383.536 2.744 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169365510 FIRCNUMGFTTXGC-BZLDKRAPSA-N 398.846 2.722 0 40 GFAB Cn1nnnc1SCC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206991313 JPFHPAJDMPLONZ-ZDUSSCGKSA-N 383.930 2.662 0 40 GFAB COC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218121495 JIDSSZFALXRQKC-GBESFXJTSA-N 395.908 2.880 0 40 GFAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 223051816 LAGPZLNJWSZHCY-HNNXBMFYSA-N 388.489 2.692 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1C(=O)NC(C)C 223881060 YPFWCOLFFYMZIW-UHFFFAOYSA-N 396.896 2.965 0 40 GFAB Cc1cc(C)c(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 224273173 SAEWWFSUWIWNCY-UHFFFAOYSA-N 390.505 2.671 0 40 GFAB CN1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 224879727 MTBAQPLCWQIRAQ-UHFFFAOYSA-N 378.270 2.811 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NCCc1c(C)nn(-c2ccccn2)c1C 225584292 BISVVOLFISYNAI-UHFFFAOYSA-N 388.468 2.853 0 40 GFAB Cc1nc2ccccn2c1C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225626148 QNLVREREUMKFQU-UHFFFAOYSA-N 388.431 2.510 0 40 GFAB COCCNC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1 225899538 KHXHPBIZCPOEQA-QWRGUYRKSA-N 391.463 2.911 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1 225899619 CNLVXKVKEAIECS-UHFFFAOYSA-N 377.436 2.809 0 40 GFAB Cc1cc(C)cc(CN2C[C@H]3CN(Cc4csc(C)n4)S(=O)(=O)[C@H]3C2)c1 306125346 CNAAZWBNQAPSDB-HKUYNNGSSA-N 391.562 2.714 0 40 GFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 408701419 XPCKSNDLTGEZKB-QGZVFWFLSA-N 396.553 2.992 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 409392344 RKUWEEFZBFLZRY-INIZCTEOSA-N 390.505 2.938 0 40 GFAB CCc1ccc([C@@H](CO)NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 537785734 BWRCRDHXCKBLLK-AUUYWEPGSA-N 393.480 2.790 0 40 GFAB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)NC[C@@H]1CCCO1)CC2 547695321 YBMSOGBAJCHMKX-ROUUACIJSA-N 391.537 2.840 0 40 GFAB CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c2C1 556773785 SAMZDVAOFITZJN-SUMWQHHRSA-N 394.397 2.615 0 40 GFAB O=C([C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21)N1CCCCO1 575403550 GQPDJSGDDAKIQB-PQGQHUGISA-N 398.507 2.537 0 40 GFAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 585148106 NYZRGQNJEKJEEJ-LBPRGKRZSA-N 376.459 2.536 0 40 GFAB CCOC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 601014407 KXLJGKYIXGTVID-MRXNPFEDSA-N 376.453 2.588 0 40 GFAB O=C1C[C@H](Sc2n[nH]c(Cc3ccccc3)n2)C(=O)N1c1ccc(F)cc1 618255207 RPKUAHYTGLBQHY-HNNXBMFYSA-N 382.420 2.959 0 40 GFAB Cn1cc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 670014773 CPWRVYGBLIBXKM-ZDUSSCGKSA-N 382.873 2.676 0 40 GFAB COc1ccc(-c2nc(NC(=O)CSc3nnc4ccccn34)ns2)cc1 631379 XUDWOHGJDRHKLK-UHFFFAOYSA-N 398.473 2.987 0 40 GFAB CC[C@@H]1Oc2cc([C@H](C)NC(=O)Nc3cnn(CCOC)c3)ccc2NC1=O 78950679 KUPMVLUIFDSCAW-LRDDRELGSA-N 387.440 2.522 0 40 GFAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc(Cl)c1 1985910 MIHPALSJLAKJNQ-OAHLLOKOSA-N 386.835 2.870 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)ccc21 23080993 UWOWTEZYSQFYKJ-LJQANCHMSA-N 394.475 2.885 0 40 GFAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 23411157 INGRJDIUJUVMGZ-SFHVURJKSA-N 378.432 2.989 0 40 GFAB COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)cc(OC)c1OCC(N)=O 23643998 CRCVQVKJVPAXHC-UHFFFAOYSA-N 398.868 2.555 0 40 GFAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3C(=O)CC)cs1 4893899 YRCJWQLICUECIH-NSHDSACASA-N 387.461 2.999 0 40 GFAB COc1cccc(C2=NO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)c1OC 4904362 NQPNCJZBQXXSSB-FQEVSTJZSA-N 395.459 2.546 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)C2)n1 54660844 FBPDBCSJXKZWFH-CQSZACIVSA-N 376.844 2.558 0 40 GFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)c1c[nH]c(C(=O)N2CCCC2)c1 24424780 YPBIAURIWIILMZ-UHFFFAOYSA-N 390.399 2.590 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O 8111057 PPFSYDBBFMUOQH-UHFFFAOYSA-N 382.507 2.741 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)NCCCOC2CCCCC2)c1 43193257 YZMBQYLDFJXJDP-UHFFFAOYSA-N 383.514 2.798 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 55771343 UOFGDZSAVTTZOC-UHFFFAOYSA-N 383.379 2.556 0 40 GFAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(F)cc1Cl 3246662 AFPNQMDKVVTWCQ-UHFFFAOYSA-N 375.743 2.511 0 40 GFAB COc1cc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc(OC)c1OC 58019215 DLQZQJBFEUROIV-ZDUSSCGKSA-N 399.447 2.888 0 40 GFAB COc1ccc(-c2cnn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)cc1 44804220 UCTYKDSCGPOAAF-UHFFFAOYSA-N 378.432 2.878 0 40 GFAB NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27774327 LOKXBWFLFRPWPN-GOSISDBHSA-N 393.409 2.929 0 40 GFAB C[C@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCc2ccccc21 12790130 RERHLTRKDFNSNZ-INIZCTEOSA-N 399.516 2.861 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10374891 CGXIKHURZPNMJM-UHFFFAOYSA-N 392.908 2.852 0 40 GFAB O=C(NCCCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1 45084107 NBDZCXCQPLAVMK-UHFFFAOYSA-N 377.916 2.937 0 40 GFAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(C)C)N[C@@]21C(=O)Nc2ccc(Cl)cc21 103087979 FVKQFELKGIGCNI-AXHMDWHKSA-N 389.883 2.517 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)CSc1nccn1-c1cc(C)ccc1C 10880451 VLMMXTWSUJSZBX-UHFFFAOYSA-N 388.537 2.954 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 48302354 CMHVGPACYFJVKB-UHFFFAOYSA-N 375.473 2.766 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 28609439 CDPWSHQHOPLHMH-GOSISDBHSA-N 380.444 2.834 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](c3nc(C)no3)C2)C(C)C)cc1 59586014 QIQHPILHSYYQNR-QZTJIDSGSA-N 384.480 2.847 0 40 GFAB CCOc1c(Br)cc(C(=O)N2CCC(C(=O)O)CC2)cc1OC 13167277 DNAIJFFTHMROPA-UHFFFAOYSA-N 386.242 2.793 0 40 GFAB Cn1c(=O)c2c(nc(Oc3ccccc3)n2Cc2cccc(Cl)c2)n(C)c1=O 9189875 AAOZLZULFKFCOI-UHFFFAOYSA-N 396.834 2.928 0 40 GFAB C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1cccnc1 9118794 INYZFROVDAYGNE-GFCCVEGCSA-N 376.254 2.841 0 40 GFAB CN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 49581241 CTRVWEDMJVQDHA-QGZVFWFLSA-N 382.485 2.949 0 40 GFAB Cc1cc2oc(C(=O)N3CCOC34CCN(C)CC4)cc(=O)c2cc1Cl 13693001 WVWKLWQWBVIZKJ-UHFFFAOYSA-N 376.840 2.649 0 40 GFAB O=C(O)c1cccc(CCNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 95464508 SDNYWDUZZITJHI-IBGZPJMESA-N 380.444 2.738 0 40 GFAB CC(C)(C)n1cc(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cn1 96005113 YLUOPNSHKPVESG-QGZVFWFLSA-N 390.509 2.685 0 40 GFAB Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 13816894 LQQZKCSFIKLTPI-UHFFFAOYSA-N 387.871 2.666 0 40 GFAB CNC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 6365315 BZAOPHMACBFVAU-UHFFFAOYSA-N 389.502 2.816 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 95461935 GMENMSJSLZGFEN-KRWDZBQOSA-N 383.489 2.556 0 40 GFAB CCOc1ccc(CCNC(=O)c2cccc(S(C)(=O)=O)c2)cc1OCC 14241465 ALZIURBXOZLBHW-UHFFFAOYSA-N 391.489 2.860 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c(OC)c1 6646229 JMVNJQPOMSFTND-RDJZCZTQSA-N 386.791 2.650 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1F 5792121 HHWVDYSPIWAYCR-LJQANCHMSA-N 391.349 2.818 0 40 GFAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC(C)C)c(OC)c1 4986996 WQPFIPKNFYPHNI-UHFFFAOYSA-N 375.421 2.625 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)CCn1c(=O)oc2ccccc21 7285582 BIRQJTHHMVOUPY-UHFFFAOYSA-N 381.432 2.644 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NCc3ccccc3)CC2=O)cc1C 409124413 HMBVWVULUBBBPV-SFHVURJKSA-N 380.444 2.516 0 40 GFAB C[C@@H](CCCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1nnc2n1CCCC2 95968700 DAACJUKNEOYBAJ-LSDHHAIUSA-N 381.480 2.730 0 40 GFAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1cccc(C)c1 408592258 JQNFIVZWFHONLH-CXUHLZMHSA-N 396.399 2.560 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccccc1Cl 408554825 USJCDLGAEDNFKY-CYBMUJFWSA-N 396.896 2.640 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccccc1Cl 22330493 JKBQYUZQFWJHTI-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB COCCN1CCC[C@@]2(CN(Cc3cccnc3Cl)CC(F)(F)C2)C1=O 306133159 MDRSTCAQZICZFT-QGZVFWFLSA-N 387.858 2.831 0 40 GFAB CCN(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc2ccccc2c1 39986909 IDRWDSVOMAZMTA-UHFFFAOYSA-N 392.521 2.782 0 40 GFAB CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710107 OWWQJQRRLLQFKS-UHFFFAOYSA-N 381.476 2.904 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCCCC1 408700946 OTMDPAYASONBPJ-UHFFFAOYSA-N 380.510 2.932 0 40 GFAB Cc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3ccccc3)n2)cnn1C 36611575 OBRIYLCUEUAAHW-UHFFFAOYSA-N 396.476 2.538 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@@H]1c1ccnc(Nc2ncccn2)n1 72377702 FUHWQBLFHADPKU-QGZVFWFLSA-N 376.420 2.753 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C 223275345 QFHOTSJLICVFDB-GJZGRUSLSA-N 388.489 2.828 0 40 GFAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224914560 KXIJRFBWRGOMQQ-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3cccs3)no2)c(C)c1 225421374 LFVVEWKKUQEZMV-UHFFFAOYSA-N 379.463 2.902 0 40 GFAB CCc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccccc1 40388412 MGCYJJDYWPSANX-UHFFFAOYSA-N 385.431 2.634 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2F)s1)c1ccccc1 223326630 QCQAIUJDUVCCTR-UHFFFAOYSA-N 378.410 2.730 0 40 GFAB CCOc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222439343 FHVRSHWZWRQCKJ-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB Cc1cn(C2CCCCC2)nc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 576479849 BJFAITZDKFYHTA-SFHVURJKSA-N 389.544 3.273 0 40 GFAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223284091 IKYWKCLEUYLIGX-NSHDSACASA-N 382.511 2.871 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1NC(C)=O 224119514 SBHGPKWXKJRLKJ-UHFFFAOYSA-N 376.478 2.953 0 40 GFAB CSCC[C@@H](C(=O)N1CCN(Cc2c(C)noc2C)CC1)n1cccc1 575443404 WBLCIQWTPKGYKT-SFHVURJKSA-N 376.526 2.732 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 222473069 XSPXAFNRANRUIC-UHFFFAOYSA-N 390.461 2.738 0 40 GFAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(S(=O)(=O)C(F)(F)F)cc1 247778758 ZKWKVPPNGLDRJR-GDLCADMTSA-N 376.400 2.603 0 40 GFAB CC(=O)N1CCCN(C(=O)c2c(-c3ccc(Cl)cc3)noc2[C@H](C)O)CC1 253404379 QZZZEHZKZOUNIZ-LBPRGKRZSA-N 391.855 2.743 0 40 GFAB biogenic,in-vitro CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(c4cnccn4)C3)ccc2c1N 257280520 OLFBDFBOCDSPIB-FQEVSTJZSA-N 396.520 2.928 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3ncncc3-c3ccnc(N)c3)C2)cc1 257232331 GKKYVWNWJPJSOO-KRWDZBQOSA-N 389.459 2.688 0 40 GFAB CC(C)NC(=O)N1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C 253398795 HNDRBFAWHFKJJD-KRWDZBQOSA-N 392.931 2.679 0 40 GFAB biogenic,in-vitro CCOc1ccc(N([C@H](C)C(=O)NCC2CCCCC2)S(C)(=O)=O)cc1 260793134 KEJYHZFQMGTYEH-OAHLLOKOSA-N 382.526 2.936 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260888515 BBUDIBPANCBICU-YRBFXIGRSA-N 380.485 2.531 0 40 GFAB CNc1ncnc2cc(C(=O)N3CCN(c4ccc(F)c(OC)c4)CC3)ccc12 614545779 PTKGLPFSYYDLPM-UHFFFAOYSA-N 395.438 2.782 0 40 GFAB COC[C@@]1(C(=O)O)CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)C1 635502491 ALIUEVUGUXUJNV-QGZVFWFLSA-N 395.506 2.813 0 40 GFAB CO[C@@](C)(C(=O)O)C(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 663156039 GYPZBJSCRJSQTC-XMSQKQJNSA-N 388.508 2.625 0 40 GFAB Cc1ccncc1Cc1nc([C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)no1 664869000 ZKGUOXCSWIKMOM-APWZRJJASA-N 394.479 2.953 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)n1 390828672 SUSJWKVMXBREIC-GOSISDBHSA-N 387.505 2.814 0 40 GFAB Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 585100868 ZSRKEPCQBPPCEP-FQEVSTJZSA-N 392.569 2.632 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2ccc(C)c(F)c2)no1 47852291 OQXXFYMSYQLGNE-GOSISDBHSA-N 380.423 2.857 0 40 GFAB O=C1OC2(CCN(CC3CCOCC3)CC2)[C@H]2CN(Cc3ccccc3)CCN12 1549163110 ZCOMZXXMKRMJFW-OAQYLSRUSA-N 399.535 2.584 0 40 GFAB CNC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCC2 5055687 GSJYAYGCWUUMKE-UHFFFAOYSA-N 390.461 2.875 0 40 GFAB COc1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1CO 12086109 JGBCCUMDVZEZDZ-UHFFFAOYSA-N 392.503 2.668 0 40 GFAB C[C@H](Cn1nnc2ccccc21)NC(=O)C1CCN(C(=O)c2cccs2)CC1 12183135 ZJERCHLNTLDESS-CQSZACIVSA-N 397.504 2.550 0 40 GFAB COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 12543735 HIMYCWLFXQIRFO-LFYBBSHMSA-N 379.460 2.877 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 13581403 MFTMKKRCTJUELO-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1 14396992 YYUYXGUIRIJQDX-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB O=C(CNC(=O)Oc1ccccc1)OCC(=O)c1ccc(Br)cc1 15225303 JITQOMBODPCPKP-UHFFFAOYSA-N 392.205 2.964 0 40 GFAB COc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1 15936163 UCADAJLUAPMDAI-UHFFFAOYSA-N 396.472 2.552 0 40 GFAB Cc1cc(-c2cnc(N3CCCC3)nc2-c2ccc(N3CCOCC3)nc2)on1 19123973 XCPGACPERIPFTD-UHFFFAOYSA-N 392.463 2.939 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 19331084 MFSXHPJGKNHIPZ-CQSZACIVSA-N 388.424 2.839 0 40 GFAB c1cncc(CN(CCCN2CCOCC2)Cc2ccc(-n3cccn3)cc2)c1 19338578 UBSKQKYRCVCSEF-UHFFFAOYSA-N 391.519 2.992 0 40 GFAB O=C(c1nn2cccnc2c1Cl)N1CCN(c2nsc3ccccc23)CC1 19376161 HCLYVGKOXTWOFJ-UHFFFAOYSA-N 398.879 2.955 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)C(C)(C)C 19468408 WPUMQFSRDPGJFU-NRFANRHFSA-N 386.448 2.532 0 40 GFAB COc1ccccc1N1CCN(C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 19571206 LEPNJXLFGQSOEE-LJQANCHMSA-N 384.476 2.712 0 40 GFAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 19575355 XHCALFYQEZPZDG-YZGWKJHDSA-N 376.504 2.724 0 40 GFAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)N1CCCCCC1 4330174 SUEZBXOKOHBIHA-UHFFFAOYSA-N 398.532 2.670 0 40 GFAB COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C)ccc2c1[C@@H](OC(C)=O)C[C@H](C)C2 252679635 PLYNBLLEIDIMDU-FNJCSJHRSA-N 390.476 2.870 0 40 GFAB biogenic,in-vitro COc1ccc2c(c1)O[C@]1(CCCN(C(=O)c3csc(C)c3)C1)CNC2=O 19571817 CRXDQVSXHAWQFZ-HXUWFJFHSA-N 386.473 2.862 0 40 GFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1n[nH]c(=O)c2ccccc12 11251574 RIMNDFQXGDMLRS-UHFFFAOYSA-N 391.349 2.932 0 40 GFAB Cn1c(SCC(=O)NC(=O)NCCC2=CCCCC2)nnc1C(F)(F)F 7197668 RUYSTAMRQBBXCC-UHFFFAOYSA-N 391.419 2.642 0 40 GFAB Cc1nc2ccccc2nc1N1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2)C1 1888976923 MQPMOIZNRMQNPX-GOSISDBHSA-N 396.516 2.979 0 40 GFAB Cc1cc(N2CC[C@H](COc3cccc(C(F)(F)F)n3)C2)n2ncnc2n1 1889149060 PBYAXKLEUBYOOK-LBPRGKRZSA-N 378.358 2.752 0 40 GFAB Cc1noc([C@@H]2CN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]2c2ccccc2)n1 238866094 LUTMOIKRQDUVIR-MBOZVWFJSA-N 391.427 2.928 0 40 GFAB Cc1n[nH]c(C)c1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988909 NFWVDMPCHXDDOY-OAQYLSRUSA-N 386.471 2.954 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1C 253397171 FJWHHYMBTDTYMY-GOSISDBHSA-N 380.535 2.965 0 40 GFAB Cn1cc(-c2cncc(N3CCN(c4nc5ccc(Cl)cc5o4)CC3)n2)cn1 2087160928 ZFXRBCRGDMDQBP-UHFFFAOYSA-N 395.854 2.998 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)NCc4ccccc4)cnc32)c1C 4479206 REPULTHDYWWUCN-UHFFFAOYSA-N 387.443 2.515 0 40 GFAB Cc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCC3)c(C)c1 9520781 IVUSHXPVMCWSIN-UHFFFAOYSA-N 391.475 2.790 0 40 GFAB Cc1ccc(-n2nnnc2CNC(=O)c2cccc(Br)c2)cc1C 17053410 CYPNIAUBFWMYIP-UHFFFAOYSA-N 386.253 2.972 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)o2)cc1 1775966306 XDJYMBIDCGRPNY-OAHLLOKOSA-N 390.417 2.510 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19499451 BHCPOGNMTHWJNY-BEFAXECRSA-N 398.482 2.825 0 40 GFAB Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)/C=C/c3ccco3)CC2)n1 90607928 NMLDMBPFCLHZBM-BQYQJAHWSA-N 390.447 2.879 0 40 GFAB CCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 30307619 DJZVECRXNDMHIU-SFHVURJKSA-N 379.460 2.638 0 40 GFAB CCCCN(C(=O)c1cnn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 40146593 RFIOVIHIFBXPAT-SFHVURJKSA-N 389.521 2.669 0 40 GFAB Cc1oc(C(=O)NCCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1 40130703 ITVBQAIXJRWMER-UHFFFAOYSA-N 396.896 2.998 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1cccc(Cl)c1 32828784 HJUJNTZUSLWLFV-VOJFVSQTSA-N 375.812 2.577 0 40 GFAB NC(=O)CCN(Cc1ccccc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 32900868 JAYVWTVWLVAGBS-RBBKRZOGSA-N 382.504 2.819 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 32925046 ZGVFCAGFSJSLGK-UHFFFAOYSA-N 379.309 2.927 0 40 GFAB C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520879 HWTCEODDNXABOC-CYBMUJFWSA-N 398.440 2.671 0 40 GFAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)C2 4661348 VYPMSMQOKWIUFB-YWZLYKJASA-N 394.512 2.673 0 40 GFAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)N2CCCc3ccccc32)n1 4853395 QPCHZELZKDISIK-UHFFFAOYSA-N 391.475 2.642 0 40 GFAB COc1ccc2c(c1N(CCO)CCO)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 6235668 XXRXISZRSUUGHE-BDLQGWJCSA-N 387.520 2.911 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2OC)s1 6784818 WJVFMXNUXNYULI-VIFPVBQESA-N 381.483 2.617 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 6847016 FMUKEOMIQAJECF-GFCCVEGCSA-N 382.869 2.996 0 40 GFAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7242538 BXYGEQIJCKPMOR-CQSZACIVSA-N 387.505 2.865 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)CN2C(=O)CCOc3ccccc32)cc1 7828957 LLBZABBCAMVAEQ-UHFFFAOYSA-N 395.503 2.960 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(F)c(F)c1 7973461 CFNQWPBVACNPFY-UHFFFAOYSA-N 383.420 2.574 0 40 GFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1C 8062474 FLHCXPRPLNCZLE-UHFFFAOYSA-N 394.443 2.728 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC2CC2)s1 8133503 DSDSCUMLJXGLHW-SNVBAGLBSA-N 389.506 2.968 0 40 GFAB Cc1ccc(-c2csc3nc(CSc4nnnn4C)[nH]c(=O)c23)s1 8134575 QOCOMVBPFFRGCM-UHFFFAOYSA-N 376.492 2.837 0 40 GFAB CC1=Nn2c(nc3scc(-c4ccccc4)c3c2=O)S[C@H]1C(=O)N(C)C 8924601 GGIFNTZOFPZRDZ-CQSZACIVSA-N 384.486 2.912 0 40 GFAB Cc1c(-n2nnnc2SCc2ccccc2)c(=O)n(-c2ccccc2)n1C 9390182 CCRIGRNNDURIFM-UHFFFAOYSA-N 378.461 2.752 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 9578012 XRVGCZXIOSSGFN-UHFFFAOYSA-N 390.443 2.661 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccnc3Cl)n2)cc1 9844426 CHECVCLUFPQCMO-UHFFFAOYSA-N 398.850 2.787 0 40 GFAB COc1cc(OC)c(NC(=O)CS(=O)(=O)c2cccs2)cc1Cl 11666469 OUQFCDUIZYLFBC-UHFFFAOYSA-N 375.855 2.831 0 40 GFAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(C)c2)cc1 12523803 RMKMLMGGCNGWRH-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1 14201632 PNXWTFYXDHTBEA-AWEZNQCLSA-N 378.519 2.920 0 40 GFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 14220384 QIBUVTXXIRHADS-LBPRGKRZSA-N 381.450 2.761 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 14230675 ZFEROOMOSGLTCR-UHFFFAOYSA-N 390.487 2.802 0 40 GFAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1Cc1ccccn1 15107309 FTJCQCKIDJQELO-UHFFFAOYSA-N 389.440 2.842 0 40 GFAB CCOC(=O)c1ccc(-n2nnnc2C2(NC)C3CC4CC(C3)CC2C4)cc1 15414405 ARQWZWGFGVTKFK-UHFFFAOYSA-N 381.480 2.710 0 40 GFAB COc1ccc(NC(=O)CC2=Nc3ccccc3S(=O)(=O)N2)cc1Cl 15826723 FEJAVQBEKLUTGC-UHFFFAOYSA-N 379.825 2.699 0 40 GFAB CCCN1C(=O)N[C@H](CC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)C1=O 19502547 NYDTXPKRSIXSCG-GCLMUHHRSA-N 383.492 2.796 0 40 GFAB O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccc(-n2cnnn2)cc1 19654987 WZHNAZQOEOHDHB-HXUWFJFHSA-N 376.464 2.619 0 40 GFAB CN(C)CC(=O)N1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19696242 FRWREPXCDCRBLF-FQEVSTJZSA-N 387.499 2.531 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)ncc1C(=O)N1CCCCC1 19766399 SENVLUFOTLYIGO-GOSISDBHSA-N 393.491 2.826 0 40 GFAB COc1cccc(C2=NN(C(=O)[C@H](O)c3ccccc3)[C@](O)(C(F)(F)F)C2)c1 20070048 PZVIBSGZAXDCIX-SJLPKXTDSA-N 394.349 2.616 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccco2)N1CCCN1CCOCC1 20392725 SXRBURUDEIAGAE-IBGZPJMESA-N 394.427 2.654 0 40 GFAB COc1ccc(OC)c(NC(=O)Cn2c(C)cc(=O)n3c4ccccc4nc23)c1 20674438 DHQHLVZHQSKLBJ-UHFFFAOYSA-N 392.415 2.614 0 40 GFAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4ccc5c(c4)CCC5)C(=O)[C@@H]32)c1 23126627 SPRBHJYLYALAMD-RTBURBONSA-N 392.415 2.690 0 40 GFAB Cc1nc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)sc1-c1ccccn1 24031956 NORVZVPEBWZGQF-UHFFFAOYSA-N 391.456 2.942 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 24316533 HLGWJEFTXSIMRQ-OAHLLOKOSA-N 378.538 2.804 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)c(O)n2)cc1 24747982 MEYURHDDOYBIDK-UHFFFAOYSA-N 398.444 2.992 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2ccc(CO)cc12)N1CCN(Cc2cccs2)CC1 32094759 DFFCKFCZKZIKSH-LJQANCHMSA-N 385.489 2.665 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 32247856 ACYWFQONWXNOQK-MAIVGLDJSA-N 396.487 2.734 0 40 GFAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ncccc2c1=O 32876459 IBBBYGJVONXTSW-UHFFFAOYSA-N 384.461 2.859 0 40 GFAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(OCCC(N)=O)cc3)n2)cc1 32931739 GFPDXJYBAOEHQX-UHFFFAOYSA-N 394.431 2.871 0 40 GFAB O=C(CN1CCN(c2ccccc2Cl)CC1)NC(=O)NC1CCCCC1 34858885 QFWILNLBNYZNIS-UHFFFAOYSA-N 378.904 2.621 0 40 GFAB COc1cccc(CCc2nnc(NC(=O)c3cn4cccnc4n3)s2)c1 36752158 NTHHQUFSHSPUBQ-UHFFFAOYSA-N 380.433 2.627 0 40 GFAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ncc(-c2ccccc2)n1C 36752671 BPJIZNAFNPSAEC-UHFFFAOYSA-N 375.436 2.713 0 40 GFAB COc1ccccc1[C@H](CNC(=O)CCn1c(C)csc1=O)N1CCCC1 36767593 XDLQLBUJOMONIC-KRWDZBQOSA-N 389.521 2.570 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)cc1 38730848 WSCGPRIAEBBAOU-QZTJIDSGSA-N 397.500 2.795 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 39985456 YKBNRDWUKUSCDA-UHFFFAOYSA-N 382.526 2.983 0 40 GFAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)C[C@@H](C)O1 40090559 ZZDVWMFBNBCSSQ-QZTJIDSGSA-N 398.547 2.982 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)c1nc2ccccc2s1 40152189 SBULHIYSMVJUAB-GFCCVEGCSA-N 390.486 2.784 0 40 GFAB CN(C)C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](O)c1ccccc1 43492331 FVOYFDJHOJREMR-DYESRHJHSA-N 399.491 2.881 0 40 GFAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)Cn1cccn1 47420736 UMNVERFDGYYMPR-KBPBESRZSA-N 394.397 2.707 0 40 GFAB O=C(NCCN1CCOCC1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 52539158 ZXHQMQIMOBGHIC-UHFFFAOYSA-N 379.800 2.570 0 40 GFAB Cc1nc(S)sc1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 54777603 OYQZRWKLBVDOFU-UHFFFAOYSA-N 381.567 2.970 0 40 GFAB NC(=O)CCOc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 55594433 JDIKVPLKSBFBHI-UHFFFAOYSA-N 399.266 2.504 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O 57478808 AAGZMOCTHLDDSY-UHFFFAOYSA-N 377.853 2.927 0 40 GFAB COc1cc(C(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc(OC)c1OC 58323336 NTHKFKHMINZTFE-HZPDHXFCSA-N 379.453 2.513 0 40 GFAB Cc1cc(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1 62615189 LRRONBCABQXLSB-UHFFFAOYSA-N 375.903 2.595 0 40 GFAB COc1cccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccccc3F)CC2)c1 67284432 QZODVOREMKLHTB-UHFFFAOYSA-N 396.426 2.658 0 40 GFAB Cc1cccc(N(C)C(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 67317044 QSHWPJSTJDVNBC-UHFFFAOYSA-N 397.504 2.815 0 40 GFAB CC1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(N(C)C)cc2)CC1 67870774 NDKUVWQXAFUQAK-QNWVGRARSA-N 398.595 2.925 0 40 GFAB biogenic,in-vitro Cc1nonc1NC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362427 KLWMCUJRUCDTCG-OAHLLOKOSA-N 394.435 2.778 0 40 GFAB Cc1ccsc1[C@H](O)CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 77184088 JXTHSJNZIQCFCT-MRXNPFEDSA-N 381.519 2.631 0 40 GFAB Cc1cccc(Cn2cccc(C(=O)N3CCC4(CC3)OC[C@H](C)O4)c2=O)c1 84210733 IPLAACUQPFYSII-KRWDZBQOSA-N 382.460 2.573 0 40 GFAB CCOC(=O)c1cnn2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc12 90607198 UXFREWCHYXBNPA-UHFFFAOYSA-N 383.404 2.709 0 40 GFAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1cnccn1 95947452 KKSMRXNSNNIDIM-UHFFFAOYSA-N 381.461 2.732 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O 96115640 OGSOKNJLUWIKSP-MRXNPFEDSA-N 386.492 2.952 0 40 GFAB biogenic COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1 96115765 XLHUTGRNXPVISC-SFHVURJKSA-N 392.415 2.626 0 40 GFAB biogenic O=C(c1ccccc1)N1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145472 OOAXIIUTHLENEC-NHCUHLMSSA-N 398.528 2.796 0 40 GFAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3OC)ccc21 96321937 NZXQFIDSMJRRBW-UHFFFAOYSA-N 392.502 2.960 0 40 GFAB COC(=O)c1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1 97998219 NCUIOZQSCJBOHL-QGOAFFKASA-N 390.395 2.945 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)c2ccccc2)cc1 102620049 NQTONIPXSJDBHR-QZCPTFHJSA-N 379.437 2.831 0 40 GFAB O=C(O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1)[C@H]1CCCN(C(=O)C2CC2)C1 108156223 IEXBWZNGUJCOKE-FCHUYYIVSA-N 396.531 2.941 0 40 GFAB COc1cc(F)cc(Nc2ncc(Br)c(S(C)(=O)=O)n2)c1 143918572 BLORLEMOOGYFRM-UHFFFAOYSA-N 376.207 2.534 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)c2cccc(Br)c2)cc1OC 170188559 LCSHXKMAWPADFG-AWEZNQCLSA-N 380.238 2.930 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218057396 RYHGUKGEQGOVDM-LNLFQRSKSA-N 393.892 2.788 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218480549 ABQNVLMROCNAHX-DYXWJJEUSA-N 387.501 2.751 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)cc1 222659567 MDXQTGJZLCZIDY-MRXNPFEDSA-N 390.505 2.767 0 40 GFAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1 222882654 OMJHIZMIBSYJOF-UHFFFAOYSA-N 376.478 2.541 0 40 GFAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223614386 BCFNLZKCHRSUCW-OALUTQOASA-N 388.537 2.501 0 40 GFAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 223649386 UEUXRWRPEAMERG-UHFFFAOYSA-N 384.841 2.518 0 40 GFAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cccs1 225136704 SHFXYBGBPDLMKT-UHFFFAOYSA-N 397.474 2.602 0 40 GFAB COc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccccc2)cc1Cl 225166128 HFBDVSCAKZTKEV-HNNXBMFYSA-N 383.853 2.665 0 40 GFAB COc1ccc(F)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)c1 247902649 RKYKRPOBHAGYSP-YWZLYKJASA-N 384.455 2.723 0 40 GFAB COc1ccc2cc(C(=O)N3CC(Oc4cc(C)n(C5CC5)c(=O)c4)C3)[nH]c2c1 252478223 AFTJHGBEOFTWQI-UHFFFAOYSA-N 393.443 2.885 0 40 GFAB COCCC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 257244936 INKFNJRBPNHBTD-GJZGRUSLSA-N 376.501 2.555 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cccnn3)C2)ncn1 257306637 SVCMREXMNOLPRW-OAHLLOKOSA-N 378.436 2.633 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccccc4F)C[C@@H]2S3(=O)=O)cn1 306140342 UQPCRQREYGJSNH-NQIIRXRSSA-N 397.475 2.982 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(F)c1 408535855 XMJUXEHZDSDOOR-UHFFFAOYSA-N 380.441 2.838 0 40 GFAB Cc1cnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nc1-c1ccccc1F 519004295 OHZSPUNVOBFOAL-OAHLLOKOSA-N 392.500 2.699 0 40 GFAB Cc1cccc(CN(C)S(=O)(=O)c2c(C)cc(C)c(CC(=O)O)c2C)n1 569918398 YZCOTSBFPGSGGN-UHFFFAOYSA-N 376.478 2.763 0 40 GFAB O=C(NCc1ncc(C(F)(F)F)cn1)N1CCOC[C@@H]1c1ccc(F)cc1 580997499 GBOVBXHLJFOCMU-CQSZACIVSA-N 384.333 2.918 0 40 GFAB O=S(=O)(c1cccnc1)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1 585095207 HXEXWWFRPRMHFW-QGZVFWFLSA-N 375.494 2.521 0 40 GFAB O=C(NC[C@@H](c1ccco1)c1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 585146804 RQZBYQAZTQULBE-AWEZNQCLSA-N 398.440 2.999 0 40 GFAB OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccccc1Br 585292131 FFEIKXJYVCGQOR-KBAYOESNSA-N 380.257 2.909 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)N[C@H]1CS(=O)(=O)Cc2ccccc21 623000558 KGPZPBLCYMXDQH-INIZCTEOSA-N 381.400 2.616 0 40 GFAB O=S(=O)(CCc1c(F)cccc1F)N1CCC[C@](O)(C(F)(F)F)CC1 625213818 WJVXZPQXEQJBEM-CQSZACIVSA-N 387.370 2.616 0 40 GFAB Cc1ncc2c(n1)CC[C@H](NC(=O)N[C@@H](Cc1ccccc1)c1ncco1)C2 654364974 OJEQCSVOXJMQSF-HKUYNNGSSA-N 377.448 2.914 0 40 GFAB O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)N[C@@H]1CCCC12CCCCC2 664591316 NZYHUUVWEOVSHF-GPMSIDNRSA-N 384.542 2.525 0 40 GFAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1c(C)cc(Cl)c2ccccc12 666726955 QENHISFVNOZMFF-GJZGRUSLSA-N 382.869 2.735 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CC3)O1 669178495 ZUPKKKWYRVJVFI-FOIQADDNSA-N 379.460 2.799 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(N(C)c2ncc(Cl)cn2)CC1 1848585617 OSWQFNNKYQLJIT-UHFFFAOYSA-N 377.876 2.795 0 40 GFAB COc1cccc2sc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nc12 1888930390 YRIJRMGCVIHCHS-UHFFFAOYSA-N 395.492 2.617 0 40 GFAB O=C(Nc1ccc(F)cc1)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888941696 YRBDIYALMCEJOU-MRXNPFEDSA-N 393.422 2.718 0 40 GFAB COCc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 2037850081 QWHNOQAQQSHEHL-QHCPKHFHSA-N 394.471 2.871 0 40 GFAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3nccn3C)CC[C@H]21 2037988759 HHPMWGHCURFKAU-VQTJNVASSA-N 396.535 2.874 0 40 GFAB O=C1NCCOCCCCN(Cc2nccs2)CCOc2ccccc21 2037988949 OTBWBAOBOJLEKJ-UHFFFAOYSA-N 375.494 2.564 0 40 GFAB COc1ccc(-n2nnnc2-c2cnc(N3CCCC3)nc2C(F)(F)F)cc1 721468 JMZVHIIRYUHRLQ-UHFFFAOYSA-N 391.357 2.747 0 40 GFAB Cc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@]3(C)C[C@H]2c2ccccc2O3)c(C)c1 807031 ISUMHDGMVGMXKU-NYDSKATKSA-N 394.471 2.975 0 40 GFAB CCOCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@@H](C)C4 2232915 UIDAHLICDZNEJR-LLVKDONJSA-N 387.509 2.929 0 40 GFAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1 2457043 WSDYCBBESXPBKC-UHFFFAOYSA-N 394.497 2.933 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)c3cc(F)c(F)cc3Cl)cc2N1 2648616 OFYTXHXSYPRPLH-UHFFFAOYSA-N 381.718 2.989 0 40 GFAB CN1CCC[C@H](OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 3258748 JNAMRJDPCZSRLM-KRWDZBQOSA-N 380.510 2.502 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)C[S@@](=O)C3)cc1 4105968 SQZSGQCMNKPECQ-MHZLTWQESA-N 381.457 2.824 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4468967 KXMPBUWCGUAZKP-QFIPXVFZSA-N 377.444 2.971 0 40 GFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 4472208 MXZQWAHKDRKXJC-RSYJBZMQSA-N 395.433 2.700 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2SC3=NCCCN3C2=O)cc1 4680753 RUZMDMBAJQHCAF-HNNXBMFYSA-N 389.477 2.676 0 40 GFAB CCOC(=O)c1csc(N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)n1 5242819 IHIUYHTYDSYJST-AWEZNQCLSA-N 386.355 2.580 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1 5321748 KUAGHGKQGOWUPL-UHFFFAOYSA-N 378.310 2.719 0 40 GFAB CN(c1ccc(C(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccccc1 5334590 SMKJQZARMRKTCB-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 5976414 FFSYLZQGKTWBHF-UHFFFAOYSA-N 385.508 2.989 0 40 GFAB CCNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccncc2)n1C)c1ccccc1 6139511 GODOSQZNHOKRCB-OAHLLOKOSA-N 396.476 2.556 0 40 GFAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 6322575 GYZNTRCJSDCDKU-UHFFFAOYSA-N 390.505 2.501 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1[N+](=O)[O-] 6326866 RRSNRNRJRDWOKH-VGOFMYFVSA-N 394.405 2.839 0 40 GFAB Cc1c(NC(=O)[C@@H]2CC(c3ccccc3F)=NO2)c(=O)n(-c2ccccc2)n1C 6738420 DIKLEWDIGUFIQR-SFHVURJKSA-N 394.406 2.755 0 40 GFAB C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1cc(F)ccc1F 7300488 RDALKBXTSVGWDP-ZCFIWIBFSA-N 390.462 2.513 0 40 GFAB C[C@H](NC(=O)COC(=O)Cc1noc2ccccc12)c1ccc2c(c1)OCCO2 7865363 SYRAIVCHVUCWLC-ZDUSSCGKSA-N 396.399 2.562 0 40 GFAB O=C(OCc1nccn1C(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 8706412 VEODIRQUSJXVFN-UHFFFAOYSA-N 399.419 2.810 0 40 GFAB CC(C)SC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 9306725 MBGIYPUASFZKRY-QWHCGFSZSA-N 389.340 2.932 0 40 GFAB Cc1cc2ccncc2n1CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cscn1 12088931 HBWGNIJLOVQVQB-NYTJIUQPSA-N 382.489 3.000 0 40 GFAB O=C(NCCc1ccccn1)c1ccccc1NS(=O)(=O)c1cccs1 12521070 MKUMMTDXJLBZCE-UHFFFAOYSA-N 387.486 2.916 0 40 GFAB O=C(NOCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 12732728 IMCCXUFSAZKENU-UHFFFAOYSA-N 392.452 2.862 0 40 GFAB Cc1cc2c(cc1C(=O)c1ccco1)N(CC(=O)NC(C)C)C(=O)C(C)(C)O2 13226762 CJPYOBXMXLLDPI-UHFFFAOYSA-N 384.432 2.848 0 40 GFAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 14171144 UTWCYRRULSYWSC-OAQYLSRUSA-N 380.400 2.708 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)c1C 14234524 LVJHOIHXSFGGCA-CQSZACIVSA-N 376.453 2.970 0 40 GFAB CC[C@H](NC(=O)CCc1c(C)nc2nc(N)nn2c1C)c1ccc(OC)cc1 14238510 XJNHJWPNOGLGPY-KRWDZBQOSA-N 382.468 2.532 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 15434335 WFQCCEBBLGEAFK-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCCSCc2ccco2)cc1 18076073 QEZCCOOBFINWGO-UHFFFAOYSA-N 382.507 2.630 0 40 GFAB Cc1ccc(NC(=O)Cn2nc(-c3ccco3)oc2=O)c(Br)c1 18394442 FBLLTTFMJCBPAF-UHFFFAOYSA-N 378.182 2.806 0 40 GFAB CCOc1ccc(OCC(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19077586 LLXVLWNEGUEVAN-UHFFFAOYSA-N 387.417 2.651 0 40 GFAB Cc1ccc2occ([C@H](c3nnnn3C3CCCC3)N3CCOCC3)c(=O)c2c1 19219758 HDVOXQWUYGHJFF-LJQANCHMSA-N 395.463 2.625 0 40 GFAB Cc1ccn2c(CN3C[C@H]4NC(=O)c5ccccc5C(=O)[C@@]4(C)C3)c(C)nc2c1 19238148 MPMLAWIELQOYHS-XXBNENTESA-N 388.471 2.768 0 40 GFAB Clc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ncc[nH]2)cc1 19336456 HJMFKAQYZGVNTQ-UHFFFAOYSA-N 384.871 2.931 0 40 GFAB CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 19524338 JJWKADNRFCDOMI-OAHLLOKOSA-N 392.459 2.734 0 40 GFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CN(c3ncccn3)CCO2)n1 19692738 AIKLABJBJPAORF-KRWDZBQOSA-N 380.427 2.717 0 40 GFAB CNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(OC)c(C)c2)nc1C 19711225 XJMWIDPJYDIZTA-LJQANCHMSA-N 381.476 2.973 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCCc4ccccc43)cc2)C1=O 19797412 TYWTVQLLNJHEJJ-AWEZNQCLSA-N 384.457 2.592 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCC2)cc1Cl 20068905 YQHLJODUJJFQKF-CABCVRRESA-N 393.900 2.630 0 40 GFAB COCCn1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1=O 21913581 OPIJZCKIRHQRKO-UHFFFAOYSA-N 398.488 2.519 0 40 GFAB CCOc1cc(C(=O)NCc2cccnc2)ccc1OCC(=O)N1CCCCC1 22406158 SDMIOGATNTWICJ-UHFFFAOYSA-N 397.475 2.802 0 40 GFAB CCCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 22703711 OONJGDWUJBXMCR-WBVHZDCISA-N 382.526 2.843 0 40 GFAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1cc2ccccc2oc1=O 23127753 CCIKKLTYPYPOOB-HXUWFJFHSA-N 378.428 2.596 0 40 GFAB Cn1c(=O)c2c(SCc3ccc(F)cc3)nc(C(C)(C)C)nc2n(C)c1=O 25023044 ZGWYPBMYAKIOOE-UHFFFAOYSA-N 388.468 2.756 0 40 GFAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 25392797 XWBDPOBFESRWHC-UHFFFAOYSA-N 389.521 2.677 0 40 GFAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C 26121604 OEDREDMOMFVIAK-UHFFFAOYSA-N 394.475 2.731 0 40 GFAB COc1cccc2c1N(CC(=O)Nc1ccc3c(c1)CCN3C(C)=O)CCC2 26338710 BPDJBRADCRRZHF-UHFFFAOYSA-N 379.460 2.996 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 29161749 UYTWHVAXSCLSGA-UHFFFAOYSA-N 377.447 2.930 0 40 GFAB O=C(NCCc1ccccc1F)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 29760550 CQLGNRJYBDAURI-UHFFFAOYSA-N 394.443 2.722 0 40 GFAB COc1ccc(CCN(C)C(=O)CNC(=O)c2ccc(C)s2)cc1OC 30862813 HQPKKTFIPIYXFN-UHFFFAOYSA-N 376.478 2.505 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Cl)ccc1F 31808116 AQVKTTOTCKTDAP-KRWDZBQOSA-N 394.834 2.813 0 40 GFAB CC(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 32753120 UULDSQLHNPTMGJ-UHFFFAOYSA-N 379.298 2.952 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 32810305 GUPOUGPSJGMQAF-OAHLLOKOSA-N 397.313 2.785 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 33004674 DUACAPPLZCMTON-UHFFFAOYSA-N 391.434 2.610 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n1 33163536 ITJISPHUSPBRBQ-AWEZNQCLSA-N 377.397 2.520 0 40 GFAB CN1C(=O)N(CC(=O)NCC(C)(C)c2cccc(F)c2)C(=O)C12CCCCC2 35316720 MDPVUHVSSKPMNC-UHFFFAOYSA-N 389.471 2.816 0 40 GFAB C[C@H](OC(=O)CC1CCCC1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 39583396 WWWGOXUMHJEJBV-JTQLQIEISA-N 386.370 2.671 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3n2)n(C)c1 40017211 LSAFHYPGBZBNBE-UHFFFAOYSA-N 386.477 2.856 0 40 GFAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1 40060420 VPEMDXBDQXZAGR-CYBMUJFWSA-N 375.444 2.553 0 40 GFAB O=C(Nc1cccc(Cn2cccn2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 40133493 MUWKDOKONRPSRW-SFHVURJKSA-N 381.480 2.798 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 42919641 MJWDJXDNUATRKY-NRFANRHFSA-N 391.471 2.909 0 40 GFAB Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H](c2cccs2)N2CCOCC2)on1 43101004 DUQNICCLGWUNLH-HOTGVXAUSA-N 390.509 2.965 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 45675104 FIDDZWIXZHBSFF-CQSZACIVSA-N 378.375 2.888 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)c2cnc3ccccc3n2)CC1 46940865 INVDRUBTBJINNC-UHFFFAOYSA-N 389.503 2.697 0 40 GFAB NC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc12 48286024 UQALBYNTCJTCQA-NRFANRHFSA-N 390.487 2.694 0 40 GFAB CC(C)(C)OC(=O)NCCC(=O)NCCOc1cccc(Br)c1 48354790 HQMFJWWSFFFCMG-UHFFFAOYSA-N 387.274 2.859 0 40 GFAB Cc1cccc2nc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)cn12 58182057 SQZYKHKHAYDNCG-UHFFFAOYSA-N 377.448 2.597 0 40 GFAB CC(=O)c1c[nH]c(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)c1 58231236 QVZDTGDSWBUDLD-UHFFFAOYSA-N 378.226 2.657 0 40 GFAB COC(=O)c1cc(NC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)c(F)cc1F 58309932 QRWOFBCTZHXVRC-BETUJISGSA-N 398.406 2.943 0 40 GFAB CCN(CC)C(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O 67255548 XFGNPDMTGTXFHR-UHFFFAOYSA-N 385.493 2.527 0 40 GFAB COc1ccc(-n2c(O)nc3nc(NCc4ccc(F)cc4)ncc3c2=O)cc1 67263524 GAQGVXAPFRZHQM-UHFFFAOYSA-N 393.378 2.641 0 40 GFAB O=c1c2cnc(NCc3ccc(F)cc3)nc2nc(O)n1-c1cccc(F)c1 67263750 HIPKOGATWLTMDH-UHFFFAOYSA-N 381.342 2.772 0 40 GFAB CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(C(=O)NC(C)C)C3)c1C 69848487 DQRQTINUEMNGSJ-CQSZACIVSA-N 398.511 2.580 0 40 GFAB CN(C)CC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1 72244160 NPJGLVFCNOWDJW-LJQANCHMSA-N 398.898 2.667 0 40 GFAB NC(=O)c1cccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 84603587 ZAFHMUUHHUQKMV-MRXNPFEDSA-N 394.500 2.928 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c1 84774037 IVWMWVRDLWBWAP-SFHVURJKSA-N 389.839 2.720 0 40 GFAB Cc1noc(C)c1[C@H](C)NC(=O)N1CCCN(C(=O)c2ccsc2)CC1 95959519 FIXOESCLJUEAMA-LBPRGKRZSA-N 376.482 2.972 0 40 GFAB Cc1cc([C@@](C)(O)CNC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)c(C)o1 95993226 KPRCDHPLNKTIHF-SJCJKPOMSA-N 385.386 2.698 0 40 GFAB COC(=O)CN(c1cccc(F)n1)S(=O)(=O)c1cccc(C(F)(F)F)c1 97164878 UGDOBSXZJXWNBL-UHFFFAOYSA-N 392.330 2.608 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)c(C)c1 100636826 ISUMHDGMVGMXKU-LLBVYWAGSA-N 394.471 2.975 0 40 GFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]4C2=O)no1 101459752 VJQRWGXSYACNSR-ZIGSKRJUSA-N 385.807 2.562 0 40 GFAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102654545 XZDJTLCFDWBOEW-BLLLJJGKSA-N 375.494 2.547 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 103097711 BLOIYAKGHXDXOX-VGSWGCGISA-N 386.492 2.695 0 40 GFAB CCOc1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222558272 DNTAQXQBSCFBMW-UHFFFAOYSA-N 388.489 2.945 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C 222813370 SVBHFQUHSQWVQM-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)c1 224738673 WJMDARGWOTWRCF-KRWDZBQOSA-N 384.476 2.611 0 40 GFAB O=S(=O)(NCC[C@H](O)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 225612417 WGJPYJBJTSUPKG-SFHVURJKSA-N 391.880 2.928 0 40 GFAB COC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242522378 IPXMBYZWBZGOAE-LMMKCTJWSA-N 391.514 2.554 0 40 GFAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1 408594293 OHWGAOQUNFTMAE-MRXNPFEDSA-N 390.505 2.705 0 40 GFAB COC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 408615346 PFHQPFPFYMKEGO-KRWDZBQOSA-N 390.505 2.650 0 40 GFAB Cc1ccc(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 408734570 YGSDSIXJVXMHCR-ROUUACIJSA-N 399.450 2.780 0 40 GFAB CCOc1ccc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1 568710996 FZZTTWBWYZMGOA-UHFFFAOYSA-N 378.480 2.882 0 40 GFAB CCCN1CCN(C(=O)CCN)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585183644 YEVLGHUJELREGM-OAQYLSRUSA-N 393.531 2.942 0 40 GFAB CN(C)c1ccc(C(=O)N2CCN(c3ncnc4ccsc34)CC2)cc1F 607529067 AZRZEVPWJZODFT-UHFFFAOYSA-N 385.468 2.859 0 40 GFAB O=C(O)Cc1ccc2c(c1)CN(CC1CCCC1)CC(=O)NCCCCCO2 643574701 KPFCJWNHBZYMMZ-UHFFFAOYSA-N 388.508 2.985 0 40 GFAB CC(C)(C)N1CC[C@H](CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 666854591 GOSBUZCQJXBUOK-GFCCVEGCSA-N 387.933 2.985 0 40 GFAB C=CC(=O)NCc1ccc(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)cc1 1528923148 WLAGAOUZVFZVIE-IBGZPJMESA-N 386.398 2.981 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615155128 HZBZQZVXKVNOPE-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 1368274 VOMAXTBUFOVQAG-GASCZTMLSA-N 388.555 2.669 0 40 GFAB COc1cc(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc(OC)c1OC 2640712 QPUZRZCCPPIYSQ-UHFFFAOYSA-N 390.461 2.543 0 40 GFAB COC(=O)c1ccc(CSc2nnc(NC(=O)[C@H]3CCCO3)s2)cc1 2656661 GJFKXYXDBUDLBZ-GFCCVEGCSA-N 379.463 2.735 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O 3294448 NKMCGCYKMBOLCS-ZMZPIMSZSA-N 381.379 2.727 0 40 GFAB C[C@@H](C(=O)N1CCc2ccccc21)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3336152 WXPANJTVOCOXFO-WNSKOXEYSA-N 389.455 2.748 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 3344966 BUSDDBCUZZAYCV-LJQANCHMSA-N 393.487 2.553 0 40 GFAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCc3ccco3)cc2c1 4132725 GBBNLEMJECADRL-UHFFFAOYSA-N 399.516 2.997 0 40 GFAB Cc1ccccc1CSc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C 4139163 VOGMQYGEFCNINR-UHFFFAOYSA-N 394.456 2.888 0 40 GFAB Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccccc1)C[S@](=O)C2 4224698 QKFWSSCLIYHDRQ-HHHXNRCGSA-N 381.457 2.961 0 40 GFAB Cc1cc(C)n2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nc2n1 5168184 VNKWUBHWDPCANC-LBPRGKRZSA-N 396.476 2.597 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1OC 5202165 UWOZKHJJTPSDAC-INIZCTEOSA-N 397.431 2.833 0 40 GFAB CCc1ccc(NC(=O)C[C@H](NCCNc2ccccc2OC)C(=O)O)cc1 5257717 WRDJUBCFEUTEDQ-SFHVURJKSA-N 385.464 2.741 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1ccncc1 5352127 YRLXGNADFATSLV-LJQANCHMSA-N 393.443 2.694 0 40 GFAB NC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 5601837 UWXRDJOLZQLKKT-UHFFFAOYSA-N 395.440 2.839 0 40 GFAB CCOc1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OCC 6160301 LSUUZELNHROQDU-UHFFFAOYSA-N 381.432 2.693 0 40 GFAB O=C1N[C@H](c2cccs2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 6222078 SNYAFSBOUHECRX-BREBYQMCSA-N 376.381 2.914 0 40 GFAB CCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC 6264874 DMZMXVGCMNPARZ-BVYCBKJFSA-N 390.524 2.898 0 40 GFAB biogenic C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1C 7090479 ULXPPSTZKBDBNJ-LBPRGKRZSA-N 397.460 2.931 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(CN2CCCC2)cc1 7339994 MYLUUIZQTXNXNY-UHFFFAOYSA-N 394.504 2.989 0 40 GFAB Cn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1C(F)(F)F 7372027 ZOSQGVOEUVLSPC-UHFFFAOYSA-N 382.375 2.637 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1 8014671 DMLBXTWZSAAWCO-KBPBESRZSA-N 379.416 2.706 0 40 GFAB CSCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 8189735 JCNOOPITXDDAKJ-UHFFFAOYSA-N 385.555 2.619 0 40 GFAB NC(=O)CSc1ccccc1NC(=O)COc1c(F)c(F)cc(F)c1F 8193001 BCVPAJDVDUDZGS-UHFFFAOYSA-N 388.342 2.838 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 8303814 UZAJQXGPCYNHAS-ZDUSSCGKSA-N 397.884 2.734 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2=O)cc1 8376150 RZDHLUSRZVORPJ-IBGZPJMESA-N 393.487 2.749 0 40 GFAB C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)NC[C@@H]1CCCO1 8920368 XDRZZEMJKUQMAS-AEFFLSMTSA-N 382.460 2.679 0 40 GFAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2s1 8991386 NIGYSDQVRAEQMG-AWEZNQCLSA-N 387.486 2.744 0 40 GFAB COc1ccc(OCCCC(=O)OCc2cc(=O)n3c(C)csc3n2)cc1 9050192 SGTMIRFOGNRETQ-UHFFFAOYSA-N 388.445 2.975 0 40 GFAB CCCCc1nnc(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)s1 9113864 TWVSWRGJUMSPQD-VAWYXSNFSA-N 394.522 2.752 0 40 GFAB CCOc1ccccc1NC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9135172 DXTJIKTZPUEGFO-UHFFFAOYSA-N 396.447 2.972 0 40 GFAB Cn1c(SCC(=O)Nc2cccc3nsnc23)nnc1-c1ccc(N)cc1 9145601 GKADJZJZWXMRBJ-UHFFFAOYSA-N 397.489 2.800 0 40 GFAB CSc1ccc([C@@H]2N=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 9225428 XEYKIAZKFKYARX-QGZVFWFLSA-N 381.461 2.985 0 40 GFAB O=C(C1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1)N1CCOCC1 9741039 AMFIOGMYUHAYKC-UHFFFAOYSA-N 394.397 2.724 0 40 GFAB O=C(Nn1cnc2ccccc2c1=O)c1ccc(COCC(F)(F)F)cc1 10034742 IKTNMRFWGDFDOY-UHFFFAOYSA-N 377.322 2.859 0 40 GFAB CCc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 12069446 MGIPHNZNBGXTFK-UHFFFAOYSA-N 394.519 2.516 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12143225 LDXMJAUQWLJLRD-UHFFFAOYSA-N 398.442 2.880 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@H]([C@@H](NC(C)=O)c2nccs2)C1 12157893 VUJQQKABHJOQMF-VQIMIIECSA-N 387.505 2.810 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1Cl 12200003 XQHKGSBPOCXKMZ-UHFFFAOYSA-N 394.836 2.803 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)c(OC)n1 12233293 DEDQMFBQGVDKFA-UQASEVPWSA-N 387.455 2.753 0 40 GFAB Cc1ccc(C2(CN3CCC(NC(=O)[C@H](C)N4CCCC4=O)CC3)CC2)cc1 12337265 IMNRRXWSRXQKCF-SFHVURJKSA-N 383.536 2.618 0 40 GFAB Cn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c(=O)n(C)c1=O 12540858 QYKMXYIVURLXKW-QGZVFWFLSA-N 396.834 2.509 0 40 GFAB Cc1csc(=O)n1CCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 12548223 HDBAVLSQPJMQQE-MRXNPFEDSA-N 390.896 2.901 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 12978008 PZQYLUNBQZZQTL-INIZCTEOSA-N 399.878 2.752 0 40 GFAB COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 16022415 SEUBGZDHPVIPPR-UHFFFAOYSA-N 392.521 2.644 0 40 GFAB CCN(c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1)C(C)C 16400264 DMOCORUFBHKACF-NRFANRHFSA-N 398.463 2.920 0 40 GFAB COc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1 16806329 OIZRIUTWNUKNHT-GOSISDBHSA-N 379.412 2.956 0 40 GFAB Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)c3cnn(C)c3C)o2)s1 19217810 OVLNNQHHKQTQBK-GFCCVEGCSA-N 393.494 2.674 0 40 GFAB Cc1cccc(-c2ccc(C[C@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)cc2)c1 19235341 DCSYZCHQHWWYRX-HSZRJFAPSA-N 378.472 2.697 0 40 GFAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CCC(N2CCOCC2)CC1 19347120 SFROKWCAZCVVGD-UHFFFAOYSA-N 392.450 2.687 0 40 GFAB O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349243 RQZASVBYNQMENG-LJQANCHMSA-N 396.466 2.541 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N2C(=O)[C@@H](C)Oc3ccccc32)cc1 19462033 VBBICHYKXJXQQU-ARFHVFGLSA-N 398.459 2.781 0 40 GFAB C[C@H]1Cc2cc(CCC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 19498128 IILXNRFTHARSIB-YWZLYKJASA-N 392.503 2.742 0 40 GFAB COc1cccc(CN2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1OC 19590477 NJRRSKNSKIPXSK-KRWDZBQOSA-N 382.508 2.861 0 40 GFAB CN1CCc2nnc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2CC1 19710761 IKXUJUHIMLAKSR-KRWDZBQOSA-N 387.915 2.716 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20048652 JHIYGBKYYSPFMA-AWEZNQCLSA-N 394.468 2.868 0 40 GFAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 23175220 VXYRTWPKTDEOFG-HNNXBMFYSA-N 376.478 2.869 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c(C)[nH]1 23449522 HBZJETIBVAKLHL-SFHVURJKSA-N 394.427 2.992 0 40 GFAB Cn1ncc2c(N3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc21 23462157 MUAJRILBRPFTPU-UHFFFAOYSA-N 391.262 2.633 0 40 GFAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)[nH]c2c1C(=O)CCC2 23744944 NFQHEGAHTDCHLO-OAHLLOKOSA-N 387.505 2.707 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cccc(C(F)(F)F)c1 24212621 CDIHOOKCSKYVMH-UHFFFAOYSA-N 391.301 2.728 0 40 GFAB Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)n1 25730472 HBZCOHOBJMPCDK-UHFFFAOYSA-N 375.375 2.590 0 40 GFAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)N1CCOCC1 26128531 VUZLGAJIPDLNQC-NSHDSACASA-N 383.857 2.641 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nc(C3CC3)n[nH]2)c1 26541291 LGCUSNTXASNKQN-UHFFFAOYSA-N 398.444 2.937 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(-n2ccnc2)cc1 29755380 YKFMPGLAJIWRDE-SJLPKXTDSA-N 376.464 2.756 0 40 GFAB CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 36074575 ATOUMIYMNKAUTA-UHFFFAOYSA-N 379.309 2.872 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)n2c1nc1ccccc12 36125490 RMHIURPJCQNPKA-SFHVURJKSA-N 394.431 2.608 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2N2CCCC2)cc1 36614633 BDACHSWMOHSRSQ-UHFFFAOYSA-N 399.516 2.892 0 40 GFAB CCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619322 LAUGCOHSMQINCW-UHFFFAOYSA-N 399.817 2.730 0 40 GFAB CCN(CC)[C@@H](CNC(=O)CN1C(=O)COc2ccccc21)c1ccccc1 36692833 ZFQVGOVGNHFKAI-IBGZPJMESA-N 381.476 2.611 0 40 GFAB CC(C)(C)c1ncc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)cn1 36741173 VVRPYPMQOOANCA-UHFFFAOYSA-N 386.471 2.750 0 40 GFAB CN1CCN(C(=O)CCNC(=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 39982725 NJHDCLZFYUGCIT-IBGZPJMESA-N 385.895 2.975 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCOC1)c1ccc(Cl)cc1 40089173 WRPAFHPQCHPXMQ-QFBILLFUSA-N 386.879 2.834 0 40 GFAB O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc(-c2ccccc2F)o1 40135115 JRHVNRZIRHYKMA-UHFFFAOYSA-N 384.411 2.600 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)cc1OC 41152564 BKAOQUFLOIMUDT-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB CCCCOc1ccc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 44003767 NHFMUOUHUNLFKC-UHFFFAOYSA-N 394.537 2.800 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 44948890 XPSLMUIOZVUWKW-UHFFFAOYSA-N 384.860 2.904 0 40 GFAB Cc1ccc(NC(=O)N2CCOC[C@@H]2C)cc1NC(=O)N1CCOC[C@@H]1C 46063699 VRUKOGUCXFTNGK-GJZGRUSLSA-N 376.457 2.500 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)NCCNc2ncccn2)c(Br)c1 48354251 VDPYUYUAZOERRQ-LBPRGKRZSA-N 379.258 2.543 0 40 GFAB COc1cc(NC(=O)c2nn(-c3cccc(F)c3)c(OC)cc2=O)cc(OC)c1 49407638 ANTFZYZHRGLRGC-UHFFFAOYSA-N 399.378 2.650 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 57485845 ZNUWECYPMIQDSG-OAHLLOKOSA-N 399.516 2.772 0 40 GFAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)o1 58246517 HZZBPWDJHGOPIH-SFHVURJKSA-N 375.812 2.956 0 40 GFAB O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@H]1C1OCCO1 60348875 GGCZISFESRNYOM-LBPRGKRZSA-N 394.262 2.504 0 40 GFAB C[C@H]1CN(C[C@H]2CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 60470162 MUPVIXWWOOOTMF-ZRCGQRJVSA-N 399.579 2.999 0 40 GFAB CN1CCN(C(=O)Nc2ccc(F)cc2C(=O)Nc2nc3ccccc3[nH]2)CC1 61718696 VOJYHIBOWNXDHJ-UHFFFAOYSA-N 396.426 2.734 0 40 GFAB COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1 62164627 ACBULYILYPSKCZ-HNNXBMFYSA-N 378.436 2.526 0 40 GFAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 72380541 BRKRDJGNNGQUJH-MRXNPFEDSA-N 388.899 2.915 0 40 GFAB Cc1ccccc1-c1noc(Cn2ccnc2-c2cc3n(n2)CCCNC3)n1 72476787 DZFCPMVETUPPID-UHFFFAOYSA-N 375.436 2.647 0 40 GFAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(N)=O)ccc1Cl 78782430 NXTMBVFBCXCUMY-UHFFFAOYSA-N 380.853 2.875 0 40 GFAB C[C@@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 79103865 ANRQOYSMVBRXOX-CQSZACIVSA-N 394.518 2.514 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 84011972 LAAHQDRFCKZMJG-YOEHRIQHSA-N 390.553 2.734 0 40 GFAB C[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H](N)[C@H](O)CC(=O)O 94568708 NMCBHZITLTYUHZ-LVXYXVKQSA-N 397.471 2.921 0 40 GFAB O=C(NS(=O)(=O)N1CCc2sccc2C1)c1cc(F)c(Cl)cc1F 95979095 AZARZAHJDVBGGU-UHFFFAOYSA-N 392.836 2.713 0 40 GFAB Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)c(C)o1 95993225 KPRCDHPLNKTIHF-YVEFUNNKSA-N 385.386 2.698 0 40 GFAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2ccc(Cl)cc2)COC1 96112507 VRGZLLDOASHMEV-HNNXBMFYSA-N 399.834 2.978 0 40 GFAB biogenic,in-vitro COc1ccc(OC)c2[nH]c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc12 96114649 COQDMXGPZATTNT-KGLIPLIRSA-N 393.443 2.606 0 40 GFAB biogenic COC(=O)CCCCCS(=O)(=O)N1CCC(c2c[nH]c3ncccc23)CC1 97104225 MRMVKDHHFGIFGX-UHFFFAOYSA-N 393.509 2.806 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100563720 QMSRKXOPQMMKMS-NVXWUHKLSA-N 397.818 2.637 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(C)cc2)cc1 100758408 IVURGWXIBVBMFH-UFYCRDLUSA-N 377.444 2.539 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 101416291 MWPJGZIMRRIFHU-DLBZAZTESA-N 397.822 2.580 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102082672 UFJHFFHNUULDFO-BGHFTGAHSA-N 391.254 2.985 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]4C2=O)no1 106022037 RDSAJCPALDIDSY-FVQSIRDASA-N 385.807 2.562 0 40 GFAB O=S(=O)(NCC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)s1 188329962 VTTJJZLMPZFJFW-UHFFFAOYSA-N 376.853 2.954 0 40 GFAB Cc1ccc(-n2c(NC(=O)[C@@H]3CC[C@H](C(N)=O)O3)nc3cc(C)ccc32)cc1 193407807 CEFUTAWIRDXQEN-MSOLQXFVSA-N 378.432 2.614 0 40 GFAB CC(C)Oc1cccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 220109146 XJFWDGXTFYCPPB-UHFFFAOYSA-N 388.489 2.829 0 40 GFAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222419046 KJQORWZSVTVHGE-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1OCC(=O)N(C)C 223249253 RRWVUABVJPUWAH-HNNXBMFYSA-N 388.489 2.602 0 40 GFAB CC(C)Sc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 225427171 KPVGTKPJTDNFTM-UHFFFAOYSA-N 386.524 2.541 0 40 GFAB CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccc(O)c(C(F)(F)F)c3)C2)O1 306123893 AZUUJBBHGHMEAF-QAPCUYQASA-N 388.430 2.723 0 40 GFAB C[C@H](C(=O)NCCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 408558127 QAFPHYMCPBXCLI-CQSZACIVSA-N 380.897 2.853 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)cc1F 408559929 NMRNLCAKFCKPFK-NSHDSACASA-N 384.404 2.587 0 40 GFAB CCc1ccc(N(CC(=O)N[C@@H](C)COC)S(=O)(=O)c2ccccc2)cc1 408609529 OZCYPHBKNGCLNZ-INIZCTEOSA-N 390.505 2.595 0 40 GFAB Cn1c(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)nc2cccc(Cl)c21 530264508 AKBYAQHXXFVVOP-UHFFFAOYSA-N 398.850 2.951 0 40 GFAB COCc1cc(Cl)ccc1NC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 564883625 JCBWBFLEOCOPMW-QGZVFWFLSA-N 386.901 2.919 0 40 GFAB Cn1nccc1-c1ccc(CNS(=O)(=O)Cc2ccccc2Cl)cn1 585150540 ZIIIUVXACKUWLA-UHFFFAOYSA-N 376.869 2.755 0 40 GFAB CC(=O)N1CCCC[C@H]2[C@@H]1CCN2CC1(O)CCN(c2ccc(F)cc2)CC1 585284651 UJWIKRMWKWXCIP-SFTDATJTSA-N 389.515 2.632 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 585501854 LOMAWIZOLZIGAK-UHFFFAOYSA-N 394.500 2.894 0 40 GFAB Cc1cc(=O)n(CC(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)cn1 1890218355 QMFKQLCBGBQXGC-UHFFFAOYSA-N 397.866 2.555 0 40 GFAB Cc1ccc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)nc1 2037985120 YFCIVTQPWWXBLD-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB Cc1cc(N2C[C@H]3CN(c4ccc(Br)cn4)C[C@@H]3C2)n2nccc2n1 2298223899 YLHCJLASYOMUSK-ZIAGYGMSSA-N 399.296 2.768 0 40 GFAB Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccncc2)c1 664279 VCMMRKGLJQGFHF-UHFFFAOYSA-N 395.488 2.589 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1 665130 MIHWDEABIXVOKX-UHFFFAOYSA-N 387.230 2.505 0 40 GFAB Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)OC(F)(F)F)C[C@]2(C)O)cc1 983436 RMOKGPATKQFTCX-NSHDSACASA-N 388.314 2.583 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(C)n1C[C@H]1CCCO1 1355772 VUCSYQIFJCFVQZ-CQSZACIVSA-N 376.482 2.895 0 40 GFAB COC(=O)c1cc(OC)c(S(=O)(=O)Nc2cccc(F)c2C)cc1OC 1428389 YGVRKFZMWNJMAO-UHFFFAOYSA-N 383.397 2.739 0 40 GFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCSCC1 2307894 JIJZYUCEBRMYSP-GFCCVEGCSA-N 391.493 2.729 0 40 GFAB COc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NC2CCCC2)cc1 3402021 LOFOYANTFSZOPF-UHFFFAOYSA-N 382.526 2.791 0 40 GFAB O=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)c1ccccn1 3615051 AWGQLKMIAULMQW-HXUWFJFHSA-N 389.411 2.963 0 40 GFAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)N1CCCC1 4161311 ARMPVCANOASHCJ-UHFFFAOYSA-N 376.482 2.600 0 40 GFAB CCOc1ccc(-n2c(SCC(=O)NCC(=O)OC)nc3ccccc32)cc1 4253439 FWQHJHBKDSIYDY-UHFFFAOYSA-N 399.472 2.806 0 40 GFAB CC(C)Oc1ccc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 4301983 NTIFFYQNCVYYGO-MRXNPFEDSA-N 377.462 2.896 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 4326130 WNXUEBLNNJWRCI-UHFFFAOYSA-N 396.374 2.655 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3cc(C)ccc3C)c(=O)c2=O)cc1 4570060 BNNJQVFEFZIPSI-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB CCOc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 5221563 UIGDDWWWXNUFPB-CQSZACIVSA-N 384.432 2.638 0 40 GFAB C[C@@H](OC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)NC(N)=O 5803637 MMPIZSZOYLXMKJ-LLVKDONJSA-N 399.428 2.860 0 40 GFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C 6058968 JTWLXYWNBYAJGM-AWEZNQCLSA-N 397.406 2.808 0 40 GFAB Cc1c(C(=O)NCCCn2ccnc2)sc2nc3n(c(=O)c12)CCCCC3 6314910 VAXPMCUIHUMZIY-UHFFFAOYSA-N 385.493 2.509 0 40 GFAB COc1ccc2c(C)c(CC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1OC 6623852 GVKPVVNECGOBLC-KRWDZBQOSA-N 397.427 2.511 0 40 GFAB biogenic Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 6818331 RIBUWHJEZZRSKO-UHFFFAOYSA-N 388.474 2.924 0 40 GFAB CC1CCN(c2ccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 7229148 WVEHNZLFDYPKGU-NRFANRHFSA-N 384.480 2.582 0 40 GFAB Cc1nc(-c2ccc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)cc2)cs1 7438369 LHBXSIVUVRPLTD-AWEZNQCLSA-N 382.532 2.977 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3nnc(-c4cccs4)o3)CC2)cc1 7986543 QEELZWKXGBJDTB-UHFFFAOYSA-N 390.490 2.617 0 40 GFAB CC(C)(C)n1nnnc1SCC(=O)N1CCS[C@@H]1c1ccccc1F 8252778 AXBHXTRZYHJFOH-CQSZACIVSA-N 381.502 2.934 0 40 GFAB Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)cc1 8742934 GMWDSDOYYAWSMD-SFHVURJKSA-N 390.443 2.827 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(OC)c1 9861776 WSZPLVNZMYWTQC-UHFFFAOYSA-N 379.434 2.643 0 40 GFAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cn2cncn2)cc1 11606081 IOMBEAJXIKHSHU-UHFFFAOYSA-N 375.432 2.605 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 11866819 SVYHFIUVFJSAER-OAVHHTNSSA-N 387.432 2.665 0 40 GFAB biogenic Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccccc2Cl)c3=O)cc1 12233752 CSRSXSJKCSWUHI-UHFFFAOYSA-N 395.850 2.682 0 40 GFAB C[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 12774874 UKXBLDLYMASJOG-INIZCTEOSA-N 381.476 2.920 0 40 GFAB O=C(c1ccccc1)C1CCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 12852638 GLDRYSRWKQTRHE-FQEVSTJZSA-N 391.471 2.702 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 12875805 FJYRMQUUHNNYGN-MJGOQNOKSA-N 375.472 2.892 0 40 GFAB COc1ccc(C(=O)NC(=O)COc2ccc(Br)cc2F)cc1 13000453 QFHOGNAFGDFHNM-UHFFFAOYSA-N 382.185 2.932 0 40 GFAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 13695714 YJHQGKHKOAAIAT-HXUWFJFHSA-N 396.443 2.781 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3F)CC2)c1 13986581 DEVNGSMXNYIHMW-UHFFFAOYSA-N 394.443 2.674 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc2c(c1)OCCO2 15027523 QIQCPBWCFJZZQV-FQEVSTJZSA-N 382.416 2.916 0 40 GFAB CC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 15197892 UJKHQEBVNMGSSR-CYBMUJFWSA-N 375.446 2.549 0 40 GFAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 16188378 CCVBARAIRUTAEJ-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19117791 IDYHBXGWGMLMSP-CQSZACIVSA-N 395.488 2.627 0 40 GFAB O=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 19294254 XFCZIACHVKFLGR-KRWDZBQOSA-N 398.394 2.640 0 40 GFAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2cc(C(C)C)on2)C1 19452680 LCVQVJMHWVSSCS-NRFANRHFSA-N 383.448 2.768 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19496188 SWTORYLTRKSDLV-PKOBYXMFSA-N 399.535 2.681 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529819 UREIKWXMKSDHRU-QCBUCWTNSA-N 384.457 2.520 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCN(c2ncccn2)CC1)c1cccs1 22833632 LYHFLQJRSWWDAS-UHFFFAOYSA-N 393.472 2.753 0 40 GFAB O=C(NC1CC1)[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 24988778 LXNMTHJQMUYLLE-LJQANCHMSA-N 385.489 2.658 0 40 GFAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCN(c2ccccc2O)CC1 26258016 UBVJHXNDTJVUNE-IBGZPJMESA-N 382.460 2.912 0 40 GFAB Cc1ccccc1[C@H](C)NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 27100944 BCIMATBBNBQZHH-HNNXBMFYSA-N 385.489 2.767 0 40 GFAB CN(CCCNC(=O)CSc1nnnn1C1CCCCC1)c1ccccc1 27811637 NKQFCHGYMACECK-UHFFFAOYSA-N 388.541 2.913 0 40 GFAB CCOc1ncccc1CNC(=O)Cn1c(S)nnc1-c1cccc(C)c1 30307715 YFPOFFHYQVEVKF-UHFFFAOYSA-N 383.477 2.652 0 40 GFAB CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(C)(=O)=O 30848487 ANSRXBDZWPZQMG-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB COc1ccc(CCN(C)C(=O)[C@H](C)NC(=O)c2cccs2)cc1OC 30866024 DFZYOBZGYPNDKF-ZDUSSCGKSA-N 376.478 2.585 0 40 GFAB COc1ccc([C@H](CNC(=S)NCc2ccccc2)N2CCOCC2)cc1 32639078 CGHDJUTXSOJWIU-FQEVSTJZSA-N 385.533 2.733 0 40 GFAB Cc1cccc(N2N=C(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CCC2=O)c1 32772871 WFEWLFLBYNKLSP-ZDUSSCGKSA-N 392.415 2.836 0 40 GFAB CCN(CC)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 33881316 YQPNTSFYSSEGBF-UHFFFAOYSA-N 390.505 2.900 0 40 GFAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCCc1ccc(Cl)cc1 35423723 DXSCHYZIFUEHOH-UHFFFAOYSA-N 380.835 2.890 0 40 GFAB CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 38755732 CUPXKZZCYFWHSP-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 39547149 WMSLZCRPTQECIJ-UHFFFAOYSA-N 395.406 2.501 0 40 GFAB Cn1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1 44321395 SNLCYFZDTMMYJA-FQEVSTJZSA-N 391.427 2.955 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O 45670293 SWEFRUOPJOKKCU-INIZCTEOSA-N 397.450 2.536 0 40 GFAB CCCN(CCC)S(=O)(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 46796341 VBFMFMUXOKGKOM-LJQANCHMSA-N 383.558 2.789 0 40 GFAB O=C(Nc1ccc(OCC(F)(F)F)nc1)NC1CCN(C(=O)C2CC2)CC1 48201404 NWXVTUPRNRUQBY-UHFFFAOYSA-N 386.374 2.545 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)s1 48340336 LBLUJQDYFKSRFK-XHDPSFHLSA-N 382.507 2.921 0 40 GFAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OCC)c1 51448920 MSUZSTIJUMZKIU-ZWKOTPCHSA-N 395.415 2.861 0 40 GFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccnc(-n2cccn2)c1 59303097 QFKZZDSJXRTLLH-QGZVFWFLSA-N 393.447 2.639 0 40 GFAB Cn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O 61720721 OMABXULYAYWUIC-UHFFFAOYSA-N 375.472 2.933 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@](C)(O)CCc2ccccc2)cc1F 62021484 WOKFMYIIHVFBHH-LJQANCHMSA-N 381.469 2.887 0 40 GFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 68632063 ZQJLOSVKBFKLQZ-GJZGRUSLSA-N 394.947 2.907 0 40 GFAB CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C1 72303455 KEOPJKMORRQBPG-POZUXBRTSA-N 377.916 2.660 0 40 GFAB COc1ccc(Cc2nc(NC(=O)CCc3ccc4c(c3)CCO4)n[nH]2)cc1 79483125 WFEKKYTYRQVPCN-UHFFFAOYSA-N 378.432 2.910 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc(Cl)c2cccnc12 84582101 QSQMHNWZOVSSMZ-KRWDZBQOSA-N 395.846 2.706 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cc(C)oc2C)cc1Cl 90613484 OQUQTFSQEPFIMZ-OAHLLOKOSA-N 380.828 2.737 0 40 GFAB O=S(=O)(c1ccc(NC[C@@H]2COc3ccccc3C2)nc1)N1CCCCC1 95390038 ZSECZBXMORDGNI-MRXNPFEDSA-N 387.505 2.919 0 40 GFAB CCOC(=O)c1n[nH]c([C@H](OC(=O)c2cc(C(C)C)nn2C)c2ccccc2)n1 95447821 QPBQDXFKRCRWGB-MRXNPFEDSA-N 397.435 2.785 0 40 GFAB O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCOC[C@@H]1c1ncon1 95995325 NWMCAHPTNSJWRV-CQSZACIVSA-N 394.218 2.776 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cnn(C)c1C 95998559 WORMBUMODMVVRU-IBGZPJMESA-N 397.454 2.884 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccc(C)s2)cc1 96104828 XKKWXGJYJWWHHE-CQSZACIVSA-N 384.479 2.901 0 40 GFAB COCC(=O)N1CCC(c2nc3ccc(Nc4cccc(F)c4)cn3n2)CC1 96155827 LOXQIIRLQHRXLI-UHFFFAOYSA-N 383.427 2.964 0 40 GFAB CN(C)c1nc2c(cc1C(=O)NCC1CC1)CCN(CCc1ccccc1)CC2 96260368 RZOXDMQXXSJDID-UHFFFAOYSA-N 392.547 2.931 0 40 GFAB O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CC[C@H](N2CC=CC2)C1 101277897 VWQFFCVTAAFTNP-OALUTQOASA-N 375.472 2.665 0 40 GFAB COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 113884871 YUTJDCLCUILZFH-UHFFFAOYSA-N 375.780 2.987 0 40 GFAB COC[C@@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218468664 CNYKRINOIQDUIT-SOLBZPMBSA-N 380.849 2.997 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 219669047 NJVJRMOVJTWQMK-HNNXBMFYSA-N 386.473 2.715 0 40 GFAB COc1ccccc1N1CCN(C(=O)Cn2ccc(=O)c3cc(C)ccc32)CC1 225746582 BSUZCLHRTFAMBJ-UHFFFAOYSA-N 391.471 2.667 0 40 GFAB N[C@]1(C(=O)O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242723131 YDTFOIOJMDROAO-SQWLQELKSA-N 386.256 2.715 0 40 GFAB Cc1nc2ccc(C(=O)N3CCC[C@](C)(C(=O)NCC4CCOCC4)C3)cc2[nH]1 257203418 APYLRDHGYBZTNV-QFIPXVFZSA-N 398.507 2.656 0 40 GFAB COCC(=O)N1CCC[C@H]1c1nc(C)cc(N2CC3(CCCCC3)OC2=O)n1 257320368 VWMUIFPHICXZGP-HNNXBMFYSA-N 388.468 2.754 0 40 GFAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(Cc4ccc(F)cc4)C3)ccnc12 306130012 ITYQRUFEZCBNLH-INIZCTEOSA-N 381.455 2.950 0 40 GFAB Cc1nccn1-c1cccc(N2CCN(c3ncnc4ccsc34)CC2)n1 368558414 VSWDUTIQIZGAAV-UHFFFAOYSA-N 377.477 2.907 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NCc1ccc(-c2ccoc2)nc1 390830332 KFWUHIRTIMFMID-UHFFFAOYSA-N 378.431 2.668 0 40 GFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(C)(C)C)CC1 408627920 OKUAIYLOGGCPCZ-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB CC(=O)N1CCC[C@H](CNC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)C1 558712097 UWIUCVPLBZJALV-QGZVFWFLSA-N 386.496 2.611 0 40 GFAB CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@]2(CCOC2)O1 564775254 UTUGZJHCYBMYOH-IBGZPJMESA-N 381.856 2.911 0 40 GFAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCc2cccc(C)n2)c1 575403488 LZEVDKBPIPJGOO-IBGZPJMESA-N 381.476 2.931 0 40 GFAB COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1CCCCN1C)CC2 585111121 FHEFLKFZQNTLGJ-IBGZPJMESA-N 382.508 2.566 0 40 GFAB CCn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)c(Br)cn2)cn1 585138374 LBUTZRYPZLULSB-UHFFFAOYSA-N 399.192 2.880 0 40 GFAB Cn1cc(/C=C/C(=O)N2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cn1 585290358 QOJNEZQWYWZPEL-ITGJNFKXSA-N 381.476 2.800 0 40 GFAB COC(=O)C12CC(c3nc(CC(=O)Nc4ccccc4C(F)(F)F)no3)(C1)C2 592409430 YMWTTXOHWWAYKM-UHFFFAOYSA-N 395.337 2.864 0 40 GFAB C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(O)nc2)c1 614671532 XVXZYLXYYGJNEC-ZDUSSCGKSA-N 386.427 2.992 0 40 GFAB Cn1nc(C(=O)O)cc1C(=O)NC1(c2ccccc2Br)CCC1 630197876 FAVLHQQKGQCFNM-UHFFFAOYSA-N 378.226 2.690 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)nc1 1615161929 YHGWJMDIGJKTML-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB Cc1ccc(C(=O)N2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)cn1 1615162620 ZVDNASVSUPCIOE-LEWJYISDSA-N 398.503 2.750 0 40 GFAB Cc1cc2n(n1)C1(CCN(C(=O)Nc3cc(F)cc(F)c3)CC1)CC(=O)N2C 1772596193 UASAVENWRISMHD-UHFFFAOYSA-N 389.406 2.859 0 40 GFAB COc1nccnc1N(C)CC1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 1776009598 LLLAPPHLFXVVKH-IBGZPJMESA-N 396.491 2.554 0 40 GFAB Cn1ccc(CN2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)cc1=O 1888843906 XEJLDWBMKQKUEE-UHFFFAOYSA-N 381.524 2.672 0 40 GFAB CSc1nc(C)c(C)c(OCC2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)n1 2298051562 QCZMFNDUIZYTAB-QGZVFWFLSA-N 392.569 2.915 0 40 GFAB Cc1nc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)cc(C(F)(F)F)n1 2298064985 KOYQYJJGIXGHSB-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB c1cc(CNc2ncnc3c2ncn3C[C@@H]2CCCO2)cc(N2CCCC2)n1 2298086965 WCBYMRLOZHEQEF-INIZCTEOSA-N 379.468 2.613 0 40 GFAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 804648 XVEUAFDSUCLSFN-UHFFFAOYSA-N 398.481 2.801 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 1335074 ILXXLKJCPHQVBJ-UHFFFAOYSA-N 385.439 2.667 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c1C 22913035 WGUVVRLKLNRSQD-UHFFFAOYSA-N 379.504 2.995 0 40 GFAB Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1 54679524 TZJOZZDHDACPFK-LLVKDONJSA-N 391.371 2.845 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1C 6281290 OPVPIZQUDZEKMJ-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB C[C@@H]1Cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2N1S(C)(=O)=O 7666766 WRSYLUBIPZOGMU-GFCCVEGCSA-N 378.881 2.981 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccnc3)CC2)cc1 12594266 DUVLNYVORAJABS-UHFFFAOYSA-N 389.477 2.520 0 40 GFAB COc1cc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 25666610 JVMVTNYQBHOOQF-UHFFFAOYSA-N 384.476 2.599 0 40 GFAB COc1ccc(OC)c([C@H](C)N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 25053953 WTMMJCMTQPKGMB-RYUDHWBXSA-N 384.436 2.551 0 40 GFAB CCCC(=O)N(CCN1CCOCC1)c1nc2c(OC)ccc(OC)c2s1 22998667 GNDJFIPGLYIZIK-UHFFFAOYSA-N 393.509 2.779 0 40 GFAB COc1ccccc1NC(=O)Cc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 25572422 LGSGMPMTGPGJFF-KBPBESRZSA-N 375.494 2.942 0 40 GFAB Cc1ccn2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)nc2c1 12604053 BLRHNVMYKNTJEB-HNNXBMFYSA-N 378.432 2.804 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 107628646 QEMAAFNPELCMIW-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)c1c(-n2cccc2)sc2c1CCSC2 58304393 NUTKKUWKHZDWJF-LBPRGKRZSA-N 377.535 2.973 0 40 GFAB COC(=O)c1cccc(COC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)c1 101878156 LIAJRVNALMRKRI-UOBYYGQQSA-N 385.460 2.992 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1 28207440 UNWFOHSDWYAJGC-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)s1 54360556 DGCXNRCQUCCGGY-UHFFFAOYSA-N 389.462 2.549 0 40 GFAB COCCCn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 2332839 PYLXVDFGPMVFMO-CYBMUJFWSA-N 384.436 2.539 0 40 GFAB COC(=O)Cc1csc(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)n1 48355233 GFELAZYPZCMESO-AWEZNQCLSA-N 395.868 2.718 0 40 GFAB Nc1nc(CSc2nnc(-c3ccncc3)o2)nc(Nc2ccccc2)n1 2424279 ZXLPGNWDQGWBAG-UHFFFAOYSA-N 378.421 2.935 0 40 GFAB COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(O)c2)cc1Cl 20152919 KKXZTGLWZDEKLW-UHFFFAOYSA-N 380.809 2.879 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nccn3C)[nH]c2c1 22820613 SSNVMPSTRIHJDB-UHFFFAOYSA-N 379.511 2.619 0 40 GFAB CCN(CC)CCNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 37077632 FTDZEOPIYMCDPN-ONUXSRJRSA-N 377.573 2.802 0 40 GFAB C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 12852550 DXSLDFOZMUHJJN-INIZCTEOSA-N 384.455 2.853 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 12894971 YHXGYQKOYWFHJD-ZSZQSSIHSA-N 394.537 2.570 0 40 GFAB CC[C@H](C)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3434871 RZQIJOZHKSVKHG-AWEZNQCLSA-N 394.427 2.978 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 3490883 GPUQIMFALBGRHS-UHFFFAOYSA-N 387.244 2.878 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 3593704 DMGZGBRZLCSSCW-IBGZPJMESA-N 377.872 2.804 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)c1 13039311 NECSKKAFXADABY-AWEZNQCLSA-N 395.411 2.977 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cc(OC)c(O)c(OC)c1 71281235 LPHGIELAURFSHI-GFCCVEGCSA-N 389.408 2.601 0 40 GFAB CC(C)c1nc(C(=O)N[C@H]2CC(=O)N(C)C2)nn1-c1c(Cl)cccc1Cl 84631053 ILWZDTPOIYTRDV-JTQLQIEISA-N 396.278 2.658 0 40 GFAB COc1ccc(-c2cc(NC(=O)C(C)(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 13721316 NIRQQVXIMOCPFI-CQSZACIVSA-N 391.493 2.903 0 40 GFAB COC(=O)c1ccc(COC(=O)/C(=C/c2ccccc2)n2nnnc2C)cc1 5210680 WTEVYARTSSSCCH-PDGQHHTCSA-N 378.388 2.510 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CCc2ccccc2C1)n1ccccc1=O 4680336 XVZFDEWVMIKEPC-NRFANRHFSA-N 390.414 2.996 0 40 GFAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(C)=O)c1 4749073 NFVRIIKBHMWQIB-UHFFFAOYSA-N 395.459 2.784 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 15316510 VROFDQAZERRLBW-CKXBDKALSA-N 387.530 2.788 0 40 GFAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2F)c1 7247382 DJASRFJFVSWXCL-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB COc1ccc(C)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 15634029 KUOVYHFHWFXZCC-UHFFFAOYSA-N 379.416 2.892 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 7390508 LGNHFMZDHQZOSE-MRXNPFEDSA-N 397.475 2.972 0 40 GFAB Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 7524842 NGCCOWCUVLKGMH-UHFFFAOYSA-N 398.937 2.786 0 40 GFAB O=C(C[C@@]1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1cccnc1 9547340 NULYHLIHIVVKOI-QHCPKHFHSA-N 388.423 2.968 0 40 GFAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)OCc3nc4ccccc4o3)cc2)C1 70040638 MIJVKRUQEVTUFL-OAHLLOKOSA-N 379.416 2.887 0 40 GFAB CCN(CC)[C@H]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 72303389 GUKPFMBHALTJGQ-NRFANRHFSA-N 385.552 2.801 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](C)CCc1ccccc1 72403249 SQGRJJZRBDBCBU-KBXCAEBGSA-N 389.521 2.611 0 40 GFAB COC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3nc2N2CCCC2)C1 95957370 RWLLCJGVSRTHKD-MRXNPFEDSA-N 382.464 2.796 0 40 GFAB COc1ccc([C@H](O)[C@@H]2CCCN2C(=O)c2cnn(-c3ccccc3)n2)cc1 89438800 OSOVTJUUZPQSMV-PMACEKPBSA-N 378.432 2.614 0 40 GFAB O=C(OCC(=O)c1cccc2c1OCCO2)c1ccccc1NC(=O)C1CC1 26779957 ZOVBPOORGCAQIT-UHFFFAOYSA-N 381.384 2.846 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2F)Oc2ccc(Cl)cc21 38849271 HHSASNGWTQUNSS-HNNXBMFYSA-N 384.816 2.645 0 40 GFAB Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCCn3cnc4c(N)ncnc43)C2)cc1 1520127414 TUZDHYCPXBIECQ-NVXWUHKLSA-N 378.480 2.902 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1C 408606240 OIOLBZBHCPESBQ-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB COc1ccc(-c2cc3nc(C)c(C)c(NCCN4CCOCC4)n3n2)cc1 35314752 LQOPKWWPXYMMLU-UHFFFAOYSA-N 381.480 2.766 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)o2)cc1 30420223 JISJAWNMEHXWNX-UHFFFAOYSA-N 387.255 2.821 0 40 GFAB COc1ccc(CNC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc1OC 36355057 FJBSTVGGZWIXLP-UHFFFAOYSA-N 399.476 2.550 0 40 GFAB CCOc1ccccc1CCCNS(=O)(=O)c1cccc(C(=O)OC)c1 224888611 VSDMXZUHMBRNPX-UHFFFAOYSA-N 377.462 2.783 0 40 GFAB COc1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220327598 IQOAUQSGRAXAQO-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)c(C)c1 224077206 AUXCMGXQSOZUAS-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB Cc1ccc(CCCNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 224140421 ALHHDGAEHOPKDQ-UHFFFAOYSA-N 388.533 2.814 0 40 GFAB C[C@H](CNC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 224554745 ATCJFWPKKDYBQL-OAHLLOKOSA-N 386.473 2.531 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225333481 ZEGOVMNCFPWWBX-CQSZACIVSA-N 390.461 2.691 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96221720 LEYYJVMANDBCND-KRWDZBQOSA-N 392.452 2.612 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242522453 ITJLHESTTAYOET-QKNQBKEWSA-N 387.501 2.697 0 40 GFAB O=C(COc1cccc(F)c1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257221779 DQLWSVFPSHBBGB-HKUYNNGSSA-N 377.387 2.775 0 40 GFAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)c4oc(C)nc4C)CCO3)n2)no1 257260504 LDECVJPRYZDCBK-OAHLLOKOSA-N 383.408 2.940 0 40 GFAB COc1ccccc1N1CCC(NC(=O)[C@@]2(O)CCc3ccccc3C2)CC1 585080919 TZCYKNRBBLUQSP-HSZRJFAPSA-N 380.488 2.700 0 40 GFAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)COc3cccnc3)CC2)C1 257343925 ZUYZLDUVPUXCLP-LJQANCHMSA-N 399.466 2.886 0 40 GFAB CO[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccc(C)s1 96385921 HBBJMDOTKXMJPE-INIZCTEOSA-N 381.519 2.897 0 40 GFAB CCc1c(NC(=O)N[C@H]2CCc3c(nnn3C)C2)cnn1-c1ccc(Cl)cc1 585090797 KDZCEFNFQCHIFG-ZDUSSCGKSA-N 399.886 2.896 0 40 GFAB CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3c(C)cc(Br)cc32)N2CCC[C@H]12 55243875 BBMYCHCIBYQNEH-WPKBUWHJSA-N 393.281 2.952 0 40 GFAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(Cc2nnc3n2CCC3)C1 1776000922 QBOONPUTPYCPCD-ZDUSSCGKSA-N 381.402 2.929 0 40 GFAB CCOC(=O)CCN(C(=O)OCC)[C@@H](COCc1ccccc1)C(=O)OCC 5028382 DMRURLVHQOQKEC-KRWDZBQOSA-N 395.452 2.547 0 40 GFAB CC(=O)[C@@H]1C[C@@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C1(C)C 12186042 UNNVXXLUQLPZLR-RDJZCZTQSA-N 384.476 2.769 0 40 GFAB O=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2ccccn2)no1 16842814 IZJPEFWRIKEZFJ-UHFFFAOYSA-N 376.401 2.718 0 40 GFAB CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 18134438 AQTAXCRJNPFKQS-INIZCTEOSA-N 392.502 2.835 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 19238871 PHXMYYQXYNUDIL-ZDUSSCGKSA-N 381.461 2.617 0 40 GFAB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19502134 KCEVYYSXRGMEHG-SFTDATJTSA-N 398.555 2.901 0 40 GFAB CN(C)C(=O)N1CCN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)CC1 19596652 PTKFIPSZYQKCHQ-UHFFFAOYSA-N 394.932 2.528 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2CC1CC1 19754779 GIGGZWSPPNSVHW-QGZVFWFLSA-N 394.523 2.701 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257269332 MPNLUWMCCBXUSM-AQUHOODISA-N 396.535 2.575 0 40 GFAB Cc1nc(C)c(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)s1 1888891010 WAEGPTXRCDXYHJ-GASCZTMLSA-N 381.505 2.855 0 40 GFAB Cn1cncc1C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889022065 GBTGZWFFUPSMSK-UHFFFAOYSA-N 399.458 2.840 0 40 GFAB COC(=O)[C@@H]1C[C@@H](N2CCCC2)CCN1C(=O)c1cc(OC)ccc1Cl 1565550883 JHKHXBNBEHCSSP-GUYCJALGSA-N 380.872 2.591 0 40 GFAB Cc1nc(CN2CCOC3(CCN(C(=O)c4csc(C)n4)CC3)C2)cs1 1565547821 OCYQYOVPXCBWIC-UHFFFAOYSA-N 392.550 2.724 0 40 GFAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1 4250764 PEQNLDFGBVVAJK-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB CC(C)Sc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 7344855 VPAJROWRXPPTSQ-UHFFFAOYSA-N 386.524 2.541 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)c(OC)c1 7457968 YVZJHWRCBVONKO-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)o1 11900092 JPCMOXAPPVTLLG-UHFFFAOYSA-N 396.260 2.733 0 40 GFAB COc1cc(NC(=O)c2cnn(-c3ccccc3)n2)ccc1N1CCCC1=O 12075195 CXWLDGMQGBRNFC-UHFFFAOYSA-N 377.404 2.655 0 40 GFAB O=C(NCCn1nnc2ccccc2c1=O)C1c2ccccc2Oc2ccccc21 225797024 XQQVILWYCHNMIC-UHFFFAOYSA-N 398.422 2.846 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1N1CCCC1=O 19625283 XXOZCEWREFZRAL-UHFFFAOYSA-N 399.472 2.506 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 40478547 RWOFYOAIRPUBHO-UHFFFAOYSA-N 387.386 2.880 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(C)cc1 51318293 APRGPLMMAHFXKK-FQEVSTJZSA-N 379.460 2.908 0 40 GFAB O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCCCCC1 20720266 ZFDPHNJBEZOWCW-UHFFFAOYSA-N 396.417 2.762 0 40 GFAB O=C([C@@H]1CCCN1Cn1c(=S)n(C(F)F)c2ccccc21)N1CCOCC1 32823920 YELUULZJKSXFEO-HNNXBMFYSA-N 396.463 2.848 0 40 GFAB CCCCOc1ccc(C(=O)NCC(=O)OCc2nnsc2Cl)cc1 21602735 ZVMGDYIUGSRLHD-UHFFFAOYSA-N 383.857 2.844 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CN2CCN(c3ccccc3Cl)CC2)o1 32934527 IPTDFMJCYJRESI-UHFFFAOYSA-N 383.901 2.506 0 40 GFAB O=C(NCCCOCc1ccccc1)c1c[nH]n2c1nc(=O)c1ccccc12 103724428 HBRGIDJRVRDPHX-UHFFFAOYSA-N 376.416 2.513 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)c1ccccc1SC[C@H]1CCCO1 47122189 SOKBCYXIOFNEFH-MRXNPFEDSA-N 395.488 2.863 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 800480 MEIUEFUZLHQAAY-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 104330034 XMHQGJFMSYUIEH-HXUWFJFHSA-N 399.535 2.835 0 40 GFAB Cn1c(C(=O)O[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc2sccc21 4923957 HBMYNVJUXAQLCB-RDTXWAMCSA-N 399.472 2.828 0 40 GFAB CCOC(=O)COc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC 6951497 YBKFZHHJKAVZKX-NTEUORMPSA-N 381.475 2.858 0 40 GFAB CC[C@@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1nnc2n1CCCCC2 72275157 ZMCCUCQGQMCKAA-OAHLLOKOSA-N 387.484 2.972 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2cccc(Cl)c2)cc1 8158063 KQCHCSKNXVGRBZ-UHFFFAOYSA-N 394.880 2.823 0 40 GFAB CC(=O)NCc1ccc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)s1 24847803 VACNRMXTLXFCMB-UHFFFAOYSA-N 375.841 2.574 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12532148 SYCWLIIRNFPHTR-CYBMUJFWSA-N 385.443 2.624 0 40 GFAB O=C(CN1CCc2ccccc2C1)NCc1ccc(C(=O)N2CCCC2)cc1 25409561 VOVGVOZZVHQZML-UHFFFAOYSA-N 377.488 2.597 0 40 GFAB CSCc1cc(F)ccc1CNC(=O)c1nnn([C@@H]2CCNC2)c1C(F)F 602460930 HPVYEBNQXQSXJD-CYBMUJFWSA-N 399.442 2.682 0 40 GFAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1C(C)C 43753273 BFWUALIGRQUPCC-NSHDSACASA-N 377.363 2.619 0 40 GFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1c(F)c(F)c(F)c(F)c1F 27556962 BNLJMLUYOAMKNJ-SSDOTTSWSA-N 392.349 2.981 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1)[C@H]1C[C@@H]2CC[C@@H]1C2 102819355 ZARGVBGIFOXWHK-CCFCIABXSA-N 390.524 2.909 0 40 GFAB O=C1C(=O)N(CN2CCC(Cc3ccccc3)CC2)C(=O)N1Cc1ccccc1 22358334 QVPJYTWZMWEXQC-UHFFFAOYSA-N 391.471 2.890 0 40 GFAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3c(s2)CCCCC3)c1 12752927 CMLATYRPQGHIGS-UHFFFAOYSA-N 379.507 2.881 0 40 GFAB CCOC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 100629036 HSYXIEOTZUJZPZ-GDBMZVCRSA-N 381.432 2.676 0 40 GFAB COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N3CCCC3)o2)n1 36360045 ITULNWXTHJZRON-UHFFFAOYSA-N 375.406 2.790 0 40 GFAB CCc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 11003938 XKEWHCBAIFIPNJ-UHFFFAOYSA-N 390.480 2.925 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNC(=O)NCc1ccccc1 12892407 GHYICTWNAUXWPY-UHFFFAOYSA-N 377.448 2.927 0 40 GFAB COc1ccc(C2(C(=O)NS(=O)(=O)c3c(C)noc3C)CCCC2)cc1 60765695 MWNBPPWUHIWMPP-UHFFFAOYSA-N 378.450 2.617 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCc2ccccc21 3477418 LRFXBLAEKJZLKM-UHFFFAOYSA-N 381.461 2.661 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCc3c(C(=O)NC(C)C)cccc32)cc1 12970537 QFGYOZZPXLZWNQ-UHFFFAOYSA-N 388.489 2.975 0 40 GFAB Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2Cl)N2CCOCC2)o1 14020604 DVBWNQIGOWWODM-MRXNPFEDSA-N 396.846 2.949 0 40 GFAB C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(Br)cc1 5325742 GRWGNURCMKSDTI-GFCCVEGCSA-N 386.253 2.980 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc2ccccc2c1 14129562 IBVGPJZPTNRDNL-KDOFPFPSSA-N 397.504 2.975 0 40 GFAB Cc1ccc(C(=O)NCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)s1 14239357 CUWIQHGCZOSFGH-UHFFFAOYSA-N 389.458 2.806 0 40 GFAB Cc1noc(C)c1CSCC(=O)OCC(=O)NC(=O)c1ccc(Cl)cc1 6599772 UBUBUUVZSHSRPT-UHFFFAOYSA-N 396.852 2.678 0 40 GFAB CCn1c(C)cc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1C 6646407 FSLJSISTXYMGBY-UHFFFAOYSA-N 385.464 2.989 0 40 GFAB CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 6786999 GTZAUIWNHZSWAT-LJQANCHMSA-N 387.480 2.789 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 7078153 KZGVVHDYWRXGIZ-KYJZABPNSA-N 393.417 2.528 0 40 GFAB COc1ccc(OC)c([C@@H](C)N[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 15509714 CHCPQDXNCVSGNE-KGLIPLIRSA-N 383.448 2.728 0 40 GFAB CCc1ccc2c(CN3C[C@H](C(=O)NC)Oc4ccccc43)cc(=O)oc2c1 7253728 IMKCABLUJPMDTH-HXUWFJFHSA-N 378.428 2.869 0 40 GFAB O=C(COC(=O)Cc1csc(-c2cccc(F)c2)n1)NCC(F)(F)F 25068189 HTCRBGLUYKRANR-UHFFFAOYSA-N 376.331 2.713 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(-n2cnnn2)c1 8394714 FCSRVUYXPKXIKK-UHFFFAOYSA-N 376.420 2.541 0 40 GFAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(O)c1 8378919 UKNWOAVIMJMDOP-UHFFFAOYSA-N 380.491 2.802 0 40 GFAB CC(=O)N[C@@H](CC(=O)OCc1cc(=O)n2ccc(C)cc2n1)c1ccc(C)cc1 18363677 WTDNOPSWVYHQAQ-IBGZPJMESA-N 393.443 2.622 0 40 GFAB CNC(=O)c1cccc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1 95999110 WVFKDQNUGDVGGQ-SFHVURJKSA-N 378.432 2.670 0 40 GFAB O=C1N(CC2CC2)C[C@@]2(F)CN(Cc3ccc(-c4cncnc4)cc3)C[C@@]12F 306141938 WKWIRVMHDYMAOK-LEWJYISDSA-N 384.430 2.628 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408551807 JAOLYZOPIYRKAG-UHFFFAOYSA-N 389.839 2.741 0 40 GFAB COc1cccc(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1OC 32990841 SYCGKXBBUWTPEH-SFHVURJKSA-N 383.444 2.838 0 40 GFAB FC(F)(F)c1nc2nc(Cl)c(Cl)nc2n1CCCN1CCOCC1 31719790 SEVICFAAJPXUER-UHFFFAOYSA-N 384.189 2.874 0 40 GFAB in-vitro Cc1cc(C)c(NC(=O)CNC(=O)COc2ncnc3ccccc23)c(C)c1 39588305 JXYGQFZRQWEKMJ-UHFFFAOYSA-N 378.432 2.689 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1 32721960 ZARKDXDSSMZWFA-INIZCTEOSA-N 375.494 2.929 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 223066005 ONHBFRDFYFPJQT-CQSZACIVSA-N 388.489 2.898 0 40 GFAB COc1ccc(-n2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn2)cc1 44167815 GSNKQPGSYZHAPI-UHFFFAOYSA-N 397.866 2.892 0 40 GFAB COc1ccc2c(c1)CCCN([C@H](C)C(=O)NCc1ccc(C(=O)O)cc1)C2 568772600 XYEFPLWHNVENBW-OAHLLOKOSA-N 382.460 2.847 0 40 GFAB CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCc2cccnc2C)CC1 529089813 RAPNTPTVFALVQG-UHFFFAOYSA-N 399.470 2.909 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 195107390 JDFZOWVBWIFEBL-UHFFFAOYSA-N 382.460 2.872 0 40 GFAB COC(=O)C[C@H](c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F)c1ccnn1C 96231576 TWYNPWOLIXPLGQ-JTQLQIEISA-N 394.353 2.552 0 40 GFAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(c2ncncc2Cl)CC1 583615922 QCGKIRDMJXEEIR-CYBMUJFWSA-N 379.848 2.897 0 40 GFAB O=C(c1cn(-c2nc(CNc3cccnc3)c3ccccn23)cn1)N1CCCC1 96267079 LTLPDYIJCAJREE-UHFFFAOYSA-N 387.447 2.763 0 40 GFAB CC(C)CCn1cc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)nn1 541162601 ADQAZCWYTHAALZ-UHFFFAOYSA-N 382.443 2.848 0 40 GFAB COc1ccc(OC)c(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)c1 254823645 IQWUNPFBJQYMBH-UHFFFAOYSA-N 383.404 2.522 0 40 GFAB CC(C)(C)n1nnc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 665862899 PEPRSACGJBAELQ-KRWDZBQOSA-N 375.436 2.824 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)c(Cl)c1 675727131 BLLUJLWBZFLGIA-LJQANCHMSA-N 393.871 2.855 0 40 GFAB Cn1ccnc1[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@H]1N 1615589976 JHTLQYYTOAQWPD-ZIAGYGMSSA-N 387.896 2.764 0 40 GFAB O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc2c(c1)CCCC2 96098821 SFHDJFBHKFJNTB-UHFFFAOYSA-N 382.489 2.802 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 390830944 OMJZNOCUFRIASE-HNNXBMFYSA-N 388.420 2.613 0 40 GFAB Cc1cccc(C(=O)N2CCn3cc(C(=O)NCc4cccnc4)nc3[C@H]2C)c1 585096479 PGIPNYSZMPFXMC-MRXNPFEDSA-N 389.459 2.734 0 40 GFAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C2)n1 585291911 VPNRVGRVSQDKCF-IBUXWKBASA-N 381.465 2.738 0 40 GFAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 55107700 DSJNYVZXSBQFOD-CYBMUJFWSA-N 392.443 2.567 0 40 GFAB O=C(CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)NC1CCCC1 12087127 PFPSBMVUIFSDBW-UHFFFAOYSA-N 392.883 2.783 0 40 GFAB CN(C)CCN(Cc1cccnc1)C(=O)Cc1csc(-c2ccccn2)n1 12222340 NTFNWULAEHXZPF-UHFFFAOYSA-N 381.505 2.733 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc2c(c1)CCC2 15360317 QWEJYVUKLJRDDY-UHFFFAOYSA-N 386.517 2.833 0 40 GFAB C[C@@H]1O[C@H](NC(=O)c2ccccc2F)[C@@H](NC(=O)c2ccccc2F)O[C@@H]1C 17611103 FKTZWRKOVOUXRB-YLYZPZNOSA-N 390.386 2.601 0 40 GFAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)CO)CC3)cc2N1 19083404 NPFPDWTXIRWBOM-UONOGXRCSA-N 388.434 2.915 0 40 GFAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)c1ccncc1 19344070 WKYXGMRUIWNEIH-UHFFFAOYSA-N 376.445 2.894 0 40 GFAB Cc1cnc(-c2nc(C3CCN(C(=O)COc4ccccc4F)CC3)no2)cn1 12187476 GJHJCZZTXJFINK-UHFFFAOYSA-N 397.410 2.759 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1 1357679 QSWQUWQHNQGTJC-UHFFFAOYSA-N 394.537 2.792 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 1888979414 DSGHFHYMYJZQNG-QZTJIDSGSA-N 394.500 2.528 0 40 GFAB COCCOC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)n2)CC1 2056226725 YOALPGMFPZBDQC-LJQANCHMSA-N 389.496 2.880 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565543031 HIEAVKZBNIKGOB-REWPJTCUSA-N 378.472 2.932 0 40 GFAB Cc1ccccc1C(=O)N1CCC[C@@]2(CCN(CC3CCN(C)CC3)C2=O)C1 1565541621 HPTCGNKPAFQSQL-HSZRJFAPSA-N 383.536 2.792 0 40 GFAB CCOc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 4569565 YQKZIFZRMAZRQR-OAHLLOKOSA-N 394.518 2.730 0 40 GFAB O=C(CSc1nccn(-c2ccc3c(c2)OCCO3)c1=O)c1ccccc1 9753172 NAKRRYUXIZKPDD-UHFFFAOYSA-N 380.425 2.979 0 40 GFAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCSCC3)nc2c1 49006425 ZQQRTKQZNSBOHN-UHFFFAOYSA-N 381.457 2.726 0 40 GFAB Cn1cc([C@@H]2CN(C(=O)[C@@H]3COc4ccccc4O3)Cc3ccccc32)cn1 575618522 IQQFYCKQJPMTPQ-RXVVDRJESA-N 375.428 2.734 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)n1 585147262 LAZJZJMFXWPLQE-IBGZPJMESA-N 377.448 2.963 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)s1 575613813 VXTCEXSWQQHYTE-GOSISDBHSA-N 381.519 2.649 0 40 GFAB Cc1nc(NCCNC(=O)Nc2ccc3c(c2)OCCO3)cc(-n2cccc2)n1 90607864 KPYFSOXLJVKKQN-UHFFFAOYSA-N 394.435 2.581 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3cccs3)on2)c1 25239983 LTZMQUMVWRKQPL-UHFFFAOYSA-N 377.447 2.705 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc(F)cc1 40001120 CYNRRVLHKJHGBY-ROUUACIJSA-N 379.391 2.547 0 40 GFAB CC1CCN([C@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2cccs2)CC1 40160971 BWUPVXYQUOUQQX-GOSISDBHSA-N 396.520 2.927 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1 100672862 NGEVURJCGIKMIC-SNEKZUEESA-N 392.521 2.597 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F)C(C)C 20719888 QJSPLSJELCNWKJ-RDJZCZTQSA-N 392.406 2.543 0 40 GFAB O=c1c(NCc2ccccc2Cl)c(N2CCN(Cc3ccccc3)CC2)c1=O 101701708 NBXRBQDGDMAITI-UHFFFAOYSA-N 395.890 2.870 0 40 GFAB Cc1nc(C(=O)NCc2ccc(N3CCCC3)nc2)nn1-c1ccc(F)cc1 32787193 LYWLJHBOPQGATN-UHFFFAOYSA-N 380.427 2.640 0 40 GFAB COc1cccc(NC(=O)[C@H](Sc2nc(N)cc(=O)[nH]2)c2ccccc2)c1 32910026 QFKLDLFLAFYEOM-QGZVFWFLSA-N 382.445 2.833 0 40 GFAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NCc1ccco1 894289 MXTHDKWYWINWDS-OAHLLOKOSA-N 399.472 2.577 0 40 GFAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 958836 RIXZXZHNNFRVIY-LLVKDONJSA-N 384.461 2.625 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 3252544 FXETVTWUADLWHG-UHFFFAOYSA-N 380.853 2.549 0 40 GFAB CCOc1ncccc1C(=O)OCC(=O)c1cc(OC)c(OC)c(OC)c1 3350631 YWGOPEGGEGNDLS-UHFFFAOYSA-N 375.377 2.546 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3537371 AIPGNDJZYPNIIS-UHFFFAOYSA-N 384.388 2.937 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccccc1 4327095 VPQRZXMGVACSHW-UHFFFAOYSA-N 376.445 2.595 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)N(C)Cc3ccccc3)CC2=O)cc1OC 4374557 VCNHMUVUYJCORA-INIZCTEOSA-N 383.448 2.651 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccc(F)cc1)(Nc1nccs1)C(F)(F)F 4602496 JSCGWCQRZPZDGY-CYBMUJFWSA-N 377.319 2.556 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1 4682314 ZTJTXCIPWGMSSB-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1cccc(F)c1 4738808 XMWVMZAPQQPXSW-KRWDZBQOSA-N 385.395 2.638 0 40 GFAB CC(C)NC(=O)Cn1c(SCC(=O)N2CCC[C@H](C)C2)nc2ccccc21 4859275 OMJUAAVGFCMVJY-HNNXBMFYSA-N 388.537 2.912 0 40 GFAB CC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4941742 ODXLRJVPWXZXLW-UHFFFAOYSA-N 378.885 2.983 0 40 GFAB aggregator CCNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 4995889 YFXHGMSXYVFSRU-UHFFFAOYSA-N 376.478 2.643 0 40 GFAB Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccco2)c(=O)n(-c2ccccc2)n1C 5113134 GSPHQXRMXUJVIU-RUMSDORHSA-N 395.415 2.661 0 40 GFAB O=S(=O)(c1ccccc1)N1CN(C[C@@H]2CCCO2)c2nc3ccccc3nc21 5254205 XZALGZCJLBXAAX-HNNXBMFYSA-N 396.472 2.782 0 40 GFAB CC(C)OCCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 6344286 GXZJJSHKNQKTFE-UHFFFAOYSA-N 397.324 2.691 0 40 GFAB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1OCC 6355650 LWFGXZNQOGUJTA-MTJSOVHGSA-N 386.404 2.711 0 40 GFAB O=C(CSc1nc2ccccc2[nH]1)NC(=O)Nc1ccc2c(c1)OCCO2 6537954 GMQYCTKWOQCXIJ-UHFFFAOYSA-N 384.417 2.775 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 6578474 IEIVBYCMSONWKH-OAHLLOKOSA-N 379.821 2.984 0 40 GFAB O=C(O)c1cc(Nc2nc3ccccc3n3cnnc23)ccc1N1CCOCC1 6792871 ZRJIZRGDBWNRNH-UHFFFAOYSA-N 390.403 2.556 0 40 GFAB CN1C(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C(=O)C12CCCCC2 7480830 PHZWWBHAEJMXHV-UHFFFAOYSA-N 383.448 2.593 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 7709059 XTVVFDCORXRROP-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB O=C(CNC(=O)COc1ccccc1)NCCc1ccc(Cl)cc1Cl 8116096 GCBMNBRDNQEURI-UHFFFAOYSA-N 381.259 2.847 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c1 8266831 LWLYBUDTMGZJHD-NSHDSACASA-N 375.812 2.744 0 40 GFAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 8324730 ZNWKDUHMJTVWSF-CQSZACIVSA-N 386.477 2.537 0 40 GFAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 8372472 UQMXATJKHNLZJR-UHFFFAOYSA-N 390.505 2.625 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 8376123 IURDTVFEKLVCAQ-UHFFFAOYSA-N 387.867 2.865 0 40 GFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2c(C)cccc2C)s1 8474466 JHJYKGACXIOAHF-UHFFFAOYSA-N 390.465 2.754 0 40 GFAB CCS(=O)(=O)N1CCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc21 8587125 ASBPXGXIESIUNC-UHFFFAOYSA-N 378.881 2.982 0 40 GFAB Cn1ccnc1SCCNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9116031 ONGXESHRQWUOBQ-MRXNPFEDSA-N 394.500 2.835 0 40 GFAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCCc1nnc2ccccn12 11547237 RFFLKFYHGJWKKU-UHFFFAOYSA-N 396.838 2.724 0 40 GFAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1c(F)cccc1F 11613596 FYSXYGFZFUXFKA-LLVKDONJSA-N 379.432 2.998 0 40 GFAB CCc1nc2cc(NC(=O)[C@]3(C)CC(=O)N=C4C=C(C)C=CN43)ccc2n1C 12147378 HTGYWOMSVOFMJL-NRFANRHFSA-N 377.448 2.937 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)c1 12197222 RUXDPWQCPUFMLB-LJQANCHMSA-N 398.459 2.999 0 40 GFAB Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2cc(F)ccc21 12237960 ZAXDCHRVZZACBH-LVZFUZTISA-N 396.440 2.809 0 40 GFAB O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1cccc(O)c1 12296961 RNZZJQXQHQUBQN-UHFFFAOYSA-N 378.432 2.970 0 40 GFAB biogenic Cc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)cc1F 12859861 JDNUWWOABTZSSD-AWEZNQCLSA-N 375.469 2.981 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(OC)c1OC 12906622 XBLWKNAHGKMWHL-UHFFFAOYSA-N 378.812 2.646 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OC)cc1 13121905 ZGYQAUDERWNFTQ-HXUWFJFHSA-N 379.416 2.983 0 40 GFAB COc1ccc(/C=c2/sc3nnc(-c4ccc(C)cc4)n3c2=O)c(OC)c1 13547822 BZTZDUOCWDAWBZ-LICLKQGHSA-N 379.441 2.691 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C)c1 13580954 NABINXVSOFJAQS-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN(C)C)ccc1C 13670271 WULVERHZLFILES-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)c(C)c1C 14197164 NQRUTQUTLPSMOS-UHFFFAOYSA-N 393.553 2.751 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCCCC1 16291299 PSXQQLHXGYKIIP-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3n[nH]c4ccccc34)ccc21 16750065 OGNBCYQSODXHAN-LBPRGKRZSA-N 377.400 2.900 0 40 GFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCc3ccccc3C2)C1=O 16833593 KQVZSHSSDQUONA-QFIPXVFZSA-N 379.460 2.868 0 40 GFAB CN1C(=O)[C@]2(N=C(N)NC(Nc3ccc(Cl)cc3Cl)=N2)c2ccccc21 19327747 ZNBVYQBPDCHHMM-KRWDZBQOSA-N 389.246 2.509 0 40 GFAB Cc1ccc(Cn2ccn(CC(=O)Nc3cc(C)ccc3C)c(=O)c2=O)cc1 20488727 BCZDYJFDVMJXGX-UHFFFAOYSA-N 377.444 2.622 0 40 GFAB Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(F)ccc21 22236407 ZKJLKPCBICINDC-UHFFFAOYSA-N 379.435 2.636 0 40 GFAB CCN(C(=O)CN1CCN(Cc2cc(C)no2)CC1)c1nc2ccccc2s1 22254612 XPRBOLZWVSUOHF-UHFFFAOYSA-N 399.520 2.763 0 40 GFAB COCCN1CCN([C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 22929796 GCMZHDIXMVYSJM-OAQYLSRUSA-N 383.492 2.639 0 40 GFAB Cc1ccc2c(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)oc2c1C 27995115 NCAGBPVLLGEPOG-UHFFFAOYSA-N 386.473 2.978 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 30845597 KDEOMYYFLDQMHH-UHFFFAOYSA-N 377.872 2.943 0 40 GFAB Cc1ccc(-c2nc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cs2)o1 31211425 YLJQXIBMSJEDJE-UHFFFAOYSA-N 388.449 2.857 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)no2)cc1 32623342 GUVZGBPLXBALGH-UHFFFAOYSA-N 378.432 2.703 0 40 GFAB O=C(c1ccc2cc[nH]c2c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 32635740 QGXHENSXNUPVRB-UHFFFAOYSA-N 383.473 2.751 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)c1ccc(CSc2ncn[nH]2)cc1 40040742 BYIKVDDAOQXIEC-UHFFFAOYSA-N 391.460 2.608 0 40 GFAB CN(Cc1ccsc1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 40073798 RXZFAIDNGVWIFF-FQEVSTJZSA-N 383.473 2.706 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)n1 40121580 LATWSMOKFYTGJN-DYVFJYSZSA-N 376.526 2.768 0 40 GFAB O=c1cc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)nc2sccn12 49622881 QFFCXRZSRITHGN-UHFFFAOYSA-N 388.456 2.913 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C 50448843 YMUQURJWJAOCDL-OAHLLOKOSA-N 377.485 2.970 0 40 GFAB Cc1ccc(-c2csc3ncnc(N4CCCN(CC(N)=O)CC4)c23)cc1 54389056 OYHNSTFLVBSXHP-UHFFFAOYSA-N 381.505 2.664 0 40 GFAB CN(c1ccccc1)C1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 57089726 BVWGQXLGSXZHSE-UHFFFAOYSA-N 379.504 2.863 0 40 GFAB CN(C)[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1cccc(F)c1 58323646 YYPMJMNDZIYYJE-QGZVFWFLSA-N 387.480 2.684 0 40 GFAB CC(C)N1CCC(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 58406597 PSAOGNWDIYEVMK-OAHLLOKOSA-N 380.483 2.963 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C 59286143 JWIMXEAONTUWAV-UHFFFAOYSA-N 386.473 2.933 0 40 GFAB CC[C@@](C)(O)CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 72304447 HPMPEOQNQNABSZ-HXUWFJFHSA-N 390.505 2.995 0 40 GFAB CCc1ccc2nc(NC(=O)NCC(C)(C)N3CCS(=O)CC3)sc2c1 72305936 GBSCQOCKDIVMNS-UHFFFAOYSA-N 394.566 2.823 0 40 GFAB CCSc1ncc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)cn1 72339836 UCBOMXLLXMNXNV-UHFFFAOYSA-N 380.477 2.705 0 40 GFAB COc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N3CCCC3)C2)c1 72358553 CLFLFKGBJDAPDR-GOSISDBHSA-N 380.492 2.954 0 40 GFAB Cc1nc(CN2CCC(CNC(=O)c3cn(C)nc3C(C)(C)C)CC2)oc1C 92244329 HOXDKXGZSFCMAZ-UHFFFAOYSA-N 387.528 2.964 0 40 GFAB CN(CCOc1ccccc1F)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 94061568 XRYYKADMKSFSJN-INIZCTEOSA-N 387.459 2.553 0 40 GFAB O=C(NCCCc1nnc2ccccn12)c1c[nH]c2c(Cl)cccc2c1=O 95475714 MJRUUYQUHZWXSW-UHFFFAOYSA-N 381.823 2.587 0 40 GFAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cncc(F)c3)n2)cc1 95965666 XAZDSWNMODYLIK-UHFFFAOYSA-N 392.437 2.968 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 96340575 HZOSIFDVTXHCHH-UHFFFAOYSA-N 391.371 2.665 0 40 GFAB CCOC(=O)c1ccc(-c2n[nH]c3nc4sc5c(c4c(=O)n23)CCC5)cc1 100748828 AQTRKHJRUVNDNK-UHFFFAOYSA-N 380.429 2.965 0 40 GFAB O=C(Cc1ccccc1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101667599 SXANSEPHPMTDBG-UHFFFAOYSA-N 391.471 2.592 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 104873325 JBKJGQBWJCVMOK-GOEBONIOSA-N 382.482 2.517 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1F)c1ccc2c(c1)OCO2 113943301 UDNGGDGKGRXYSB-UHFFFAOYSA-N 394.424 2.739 0 40 GFAB CCOC(=O)[C@H]1C[C@@]2(C)C(=O)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 212415380 LKQRJDNQXYKHIT-MBOZVWFJSA-N 393.505 2.839 0 40 GFAB COc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)n(C)c2c1 222551333 ITNNLVLMKLEHCA-UHFFFAOYSA-N 386.839 2.994 0 40 GFAB Cc1ccc(CN(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 222925839 NOEWQUHGSCJXKG-UHFFFAOYSA-N 384.567 2.549 0 40 GFAB CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 223246113 HXLUYVRLDLTARW-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c2cccnc12 223311003 SWCIIDGMZNGNAE-UHFFFAOYSA-N 399.472 2.723 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 223593588 JJICRLQGGYRTPG-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB CCN1CCN(c2cc(NC(=O)c3ccc(OC)c(OC)c3)c(N)cc2C)CC1 226331137 CKFWREBVIVXIFR-UHFFFAOYSA-N 398.507 2.989 0 40 GFAB COc1ccc(C(=O)N2CC[C@@H](c3noc(-c4cccs4)n3)C2)c(OC)n1 253473364 UKTKDLXRLYPBCY-LLVKDONJSA-N 386.433 2.840 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccc(-n4cccc4)cc3)CC2)n1 253537710 NYOLHWHRSAWGAC-UHFFFAOYSA-N 377.448 2.680 0 40 GFAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)c1 257243895 IJAQERWYXCUKJQ-HNNXBMFYSA-N 390.509 2.738 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 409207516 VSZGDXGQKNVKNM-AWEZNQCLSA-N 392.477 2.790 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H]1CCCN(c3ncccn3)C1)CC2 524733587 WZPWXYFMRMUGSC-RDJZCZTQSA-N 382.464 2.514 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCC3CCCCCC3)no2)cn1 563086875 GZIHOCRDWNOSAN-MRXNPFEDSA-N 388.472 2.523 0 40 GFAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(CC(=O)O)C1CCOCC1 583650631 VBVDXWPNMHTFCQ-SNAWJCMRSA-N 383.876 2.606 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(N(C)C)nc2)cnc1N1CCCCC1 585085125 FUCDSRPRUHAVQI-UHFFFAOYSA-N 375.498 2.642 0 40 GFAB O=C(CCc1ccncc1)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 630140714 NJFHMTBPRJTTTN-GOSISDBHSA-N 381.432 2.732 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)N2CCC(C)(N3CCCC3)CC2)CC1=O 633942868 ZVTAMXFXJBRPEF-QGZVFWFLSA-N 385.508 2.525 0 40 GFAB CC12CC(CN1C(=O)NCC1(N3CCN(c4ccccc4)CC3)CCOCC1)C2 665041901 YPIWBFQJIXXNGS-UHFFFAOYSA-N 398.551 2.552 0 40 GFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(CC1CC1)CC2 1549166495 FWPDOMCCMUPGCZ-FQEVSTJZSA-N 383.536 2.967 0 40 GFAB C/C=C\Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)cn23)n(C)c1=O 1554502476 CMDYZNAXLOIDEC-PLNGDYQASA-N 383.839 2.677 0 40 GFAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)/C=C/c1cccs1)CC2 1565555677 NCFCTERMVIWOCA-IWAYRVGRSA-N 376.522 2.885 0 40 GFAB COc1cccc2nc(NC(=O)[C@@H](C)NC(=O)c3n[nH]c4ccccc34)sc12 1570822152 UFYWOWNWHCTMHA-SNVBAGLBSA-N 395.444 2.938 0 40 GFAB CC(C)(C)c1cn2nc(OCC3CCN(S(=O)(=O)C4CC4)CC3)ccc2n1 1888875992 BQHMIJMCYSOHMM-UHFFFAOYSA-N 392.525 2.610 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037850023 IDWHSDSTQAVOLZ-JOCHJYFZSA-N 397.475 2.649 0 40 GFAB O=C1COC[C@]2(CN(Cc3ccc(F)c(F)c3)CCO2)CN1c1ccccc1 2037984038 NZTOOXKBNAYBTN-NRFANRHFSA-N 388.414 2.599 0 40 GFAB CC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378131 LSOYBZMGOOLUPQ-UHFFFAOYSA-N 382.391 2.987 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1F 2245575 OXKMOZFRGXHFTH-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CCC2 2647969 XYZASDQAKGHHFW-UHFFFAOYSA-N 384.508 2.578 0 40 GFAB CCOc1ccc2nc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)sc2c1 2685042 IZNYQHJEWUAZQO-UHFFFAOYSA-N 390.446 2.665 0 40 GFAB O=C(COC(=O)c1ccc2ccccc2c1O)NCC(=O)Nc1ccc(F)cc1 6122040 VIKPULIVUSYLCN-UHFFFAOYSA-N 396.374 2.596 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2)s1)c1ccccc1F 6778333 GUFTWOJVFIBWLA-UHFFFAOYSA-N 378.410 2.730 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCc2ccc3c(c2)OCO3)c1 7716705 IRZJRJJHPKYRFS-GOSISDBHSA-N 398.459 2.886 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)CCOc1ccccc1 7913277 RZJIOHBMUJUSCR-GOSISDBHSA-N 383.492 2.757 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 7986071 JBCIHWMMLFETPZ-CQSZACIVSA-N 387.461 2.929 0 40 GFAB CCN(CC)C(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996208 GZNNXIRBPHONCA-UHFFFAOYSA-N 385.464 2.538 0 40 GFAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)CC(C)C)c2cccnc2)cc1 8026761 CVRPTJYOPNPYLR-SFHVURJKSA-N 376.478 2.768 0 40 GFAB CC(C)[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 8124464 FJMHMQUGHTYXCQ-FQEVSTJZSA-N 386.423 2.840 0 40 GFAB COc1ccc(N2C[C@H](C(=O)NCCc3ccc(F)cc3)CC2=O)c(OC)c1 8217987 PIXQKAYIXDDIBT-OAHLLOKOSA-N 386.423 2.555 0 40 GFAB COC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 8471023 HCVZXLZTLYGNQE-SNVBAGLBSA-N 387.249 2.800 0 40 GFAB CCn1c(C)cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1C 8647533 MIGSTMZRJHXUFO-UHFFFAOYSA-N 382.416 2.537 0 40 GFAB C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1cc2ccccc2o1 8774463 RKZGDRYWQUCPRJ-CYBMUJFWSA-N 397.456 2.739 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccc(F)cc1 9036319 ICXNIBNULDBTRM-GFCCVEGCSA-N 382.844 2.811 0 40 GFAB O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)NC[C@@H]1CCCO1 9744122 ZXMVIBJNEJRXSK-LBPRGKRZSA-N 393.494 2.569 0 40 GFAB COc1ccc(CNC(=O)/C=C/c2ccc(I)o2)cn1 10990472 IUNMJEKIVDNQDM-GQCTYLIASA-N 384.173 2.617 0 40 GFAB COc1cc(CC(=O)N[C@H](c2ccccc2)c2nccn2C)cc(OC)c1OC 12114898 AVUMTWQIPRNTAL-HXUWFJFHSA-N 395.459 2.894 0 40 GFAB COc1ccc(NC(=O)[C@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1 12183756 KZSICGJVRIIGPO-LBPRGKRZSA-N 382.420 2.911 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)c3ccccc3)CC1)CNC2=O 12225966 YNFKBDYQECWTRI-INIZCTEOSA-N 394.471 2.982 0 40 GFAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2sc(C)nc2C)CC1 12365750 FPEZSFNACSFYGX-AWEZNQCLSA-N 378.523 2.946 0 40 GFAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(-c3ccc4c(c3)OCO4)cc2n(C)c1=O 12428144 RLNGEUISOIRXBC-UHFFFAOYSA-N 393.374 2.563 0 40 GFAB CCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12480841 KDAKLOSUTNSSPK-UHFFFAOYSA-N 388.489 2.668 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1 12546974 MMXBLGVPRUFSSN-UHFFFAOYSA-N 392.500 2.578 0 40 GFAB COCc1ccc(CN2CCc3nc4cc(-c5cc(C)on5)nn4c(O)c3C2)o1 12667324 XNVRTWVLHLPPPA-UHFFFAOYSA-N 395.419 2.696 0 40 GFAB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 12795286 TVMAMIYVEMLLHK-UHFFFAOYSA-N 389.521 2.580 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1 12802967 JHKZKIRPYCGQSA-FQEVSTJZSA-N 380.469 2.701 0 40 GFAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCCc2ccccc21 12811228 HVMYMASHSQRBSK-NVXWUHKLSA-N 396.443 2.539 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CCn2c(=O)oc3ccccc32)c(C)c1 12983062 DYOVJAJRVLVMHY-UHFFFAOYSA-N 381.432 2.665 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)c(C)c1 13018369 IDBUACAGYSULOL-CWIFOLKKSA-N 377.437 2.638 0 40 GFAB CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc(C(=O)N(CC)CC)c1C 15932698 CGODKYPWTDDNEI-UHFFFAOYSA-N 398.481 2.909 0 40 GFAB CCCc1cc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)sc1C 19352432 TXCVJRBHWHZLHE-UHFFFAOYSA-N 383.491 2.892 0 40 GFAB C[C@](O)(c1ccccc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19367098 MFDVLMOVSSULIJ-SGNDLWITSA-N 396.531 2.668 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 19498970 FTWBOOZUYNERLC-HSZRJFAPSA-N 380.488 2.992 0 40 GFAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)c3csc(C)c3)C1)CNC2=O 19571821 CRXDQVSXHAWQFZ-FQEVSTJZSA-N 386.473 2.862 0 40 GFAB CC[C@H](C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1)N1CCCC1 19708375 FTFQMZGSYXSPSS-OAQYLSRUSA-N 398.551 2.802 0 40 GFAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 19710993 ILIXUBPXJUUBQH-INIZCTEOSA-N 398.511 2.779 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cnn(Cc2cccc(F)c2)c1 19715239 WIKAHIRFJSFHJF-UHFFFAOYSA-N 391.406 2.728 0 40 GFAB Nc1nc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)ccc1C(=O)N1CCCC1 19765786 PXXBAUGIQKGDLG-INIZCTEOSA-N 382.508 2.962 0 40 GFAB O=C(NCCCN1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1 20051312 MVAKTBWEJMSLAJ-UHFFFAOYSA-N 393.531 2.697 0 40 GFAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1cccc(I)c1 20137928 ORQGTAHYQACYRW-UHFFFAOYSA-N 383.141 2.947 0 40 GFAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NC1Cc2ccccc2C1 20745467 YIRKVVPPYOZCJX-UHFFFAOYSA-N 388.471 2.519 0 40 GFAB biogenic O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1F 20768478 RHBNRQDPIGVZIX-UHFFFAOYSA-N 398.406 2.818 0 40 GFAB COc1ccc(CCCNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 22327766 WWZTYMKOLDKHOO-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB O=C(Cc1cn2ccsc2n1)N1CCN(Cc2ccc(Cl)s2)CC1 23640355 NFDMVNCACKFCNK-UHFFFAOYSA-N 380.926 2.998 0 40 GFAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc2[nH]nnc2c1 24922178 UVWYECHVRJLRLZ-UHFFFAOYSA-N 378.432 2.971 0 40 GFAB CCn1nc(C(C)C)cc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 27616095 MKBCKNXKWBEJEC-UHFFFAOYSA-N 387.503 2.718 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@@H]1c1nnc2ccccn12 31505292 HLUMHWCQPYLIGA-QGZVFWFLSA-N 377.448 2.521 0 40 GFAB COC(=O)c1ccc(OCc2nc(N)nc(Nc3ccc(F)cc3)n2)c(OC)c1 31701342 JXEHXBGACAVONL-UHFFFAOYSA-N 399.382 2.711 0 40 GFAB COc1cc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC 32103210 IDNAJUVPZXNHSC-IBGZPJMESA-N 391.807 2.779 0 40 GFAB COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc(C)c1C 36395676 ALMNDZBLGNVNFX-LBPRGKRZSA-N 376.434 2.732 0 40 GFAB c1cncc(CN(CCCN2CCOCC2)Cc2ccnn2[C@@H]2CCCCO2)c1 36740088 MJCHKRVRGOQBQW-QFIPXVFZSA-N 399.539 2.702 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38490323 CJGAWCKZNOJIGA-IAGOWNOFSA-N 392.484 2.779 0 40 GFAB CCN(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 39986842 GGKWOEZQVQTVAI-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnc2sccn2c1=O 40162375 UCBRYSSMLJAJFK-UHFFFAOYSA-N 398.425 2.861 0 40 GFAB C[C@@H](CNC(=O)[C@@H](C)OCc1ccccc1)N1CCN(c2ccccc2)CC1 43084325 GINOCLKBGOMFFI-VQTJNVASSA-N 381.520 2.919 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H]1c1nnc2n1CCCCC2 45744095 WWSKPTFCBNGQLX-CQSZACIVSA-N 382.436 2.809 0 40 GFAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 46466916 NAJGHFSCCJYTBQ-AWEZNQCLSA-N 379.867 2.592 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)CCc2nc(-c3ccccc3)no2)ccn1 47013733 VMDZKMKLLHKBFP-UHFFFAOYSA-N 388.431 2.875 0 40 GFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 48299838 ZEADKUKFDBYYMR-QAPCUYQASA-N 386.496 2.750 0 40 GFAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)cc1)CC3 48987807 KTGQRAPOHGUVBI-UHFFFAOYSA-N 381.407 2.673 0 40 GFAB O=C(c1ccccc1Br)N1CC(c2nc(-c3cnccn3)no2)C1 49485185 BUDJUAOBGMXFGZ-UHFFFAOYSA-N 386.209 2.529 0 40 GFAB C[C@H](CCc1ccccc1)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C 54915540 PRDDCQIOERSEGF-GDBMZVCRSA-N 379.551 2.906 0 40 GFAB O=C(Nc1nnc(COc2ccccc2)o1)c1cccc(N2C(=O)CCC2=O)c1 56900982 BULJDFHOOQXRTM-UHFFFAOYSA-N 392.371 2.554 0 40 GFAB O=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(N3CCOC3=O)cc2)CCN1 65518715 IPZDAYPAISEIHN-GOSISDBHSA-N 394.431 2.738 0 40 GFAB Cc1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccccc3F)CC2)cc1 67284478 LWFBVXIGAAABQM-UHFFFAOYSA-N 380.427 2.958 0 40 GFAB CN1CC[C@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 72391676 PXEMKAYINYRYOD-KRWDZBQOSA-N 384.528 2.722 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)cc1 77197756 NZZAZXFRHUIBGW-GFCCVEGCSA-N 383.326 2.895 0 40 GFAB Cc1cccc(CCCOC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)n1 79052294 NKBXBPFVXBFCTG-LJQANCHMSA-N 390.505 2.869 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(OC)c(O)c1 79486524 XFZCZIUKXXCYFB-QGZVFWFLSA-N 391.449 2.893 0 40 GFAB COc1ccccc1CN[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 89499614 WGKSYFLLYUAMRF-HNNXBMFYSA-N 394.475 2.610 0 40 GFAB O=C(O)[C@@H](c1cnn(Cc2ccccc2)c1)N1CCC(Cn2cccn2)CC1 95361021 HDMDXYLLFOOIFA-HXUWFJFHSA-N 379.464 2.666 0 40 GFAB CN(Cc1nnc2n1CCC2)C(=O)c1ccsc1NC(=O)c1cccs1 95958858 VKHXJUNKXQZPPB-UHFFFAOYSA-N 387.490 2.872 0 40 GFAB COCCCS(=O)(=O)N1C[C@H](C)Oc2cc(C)c(Br)cc21 95964287 HUANXNQXXVGWIO-NSHDSACASA-N 378.288 2.711 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cccnc1 96000360 LMIZMMQHWDETDJ-LJQANCHMSA-N 398.488 2.646 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCc3c(-c4cccnc4)nn(C)c3C2)cc1 96083767 GEWPVJQMVXABEO-UHFFFAOYSA-N 382.489 2.928 0 40 GFAB Cc1ccc(NC(=O)C2=C(O)c3sc(Cl)cc3S(=O)(=O)N2C)nc1 96190735 HOLQSCDGTIYXCG-UHFFFAOYSA-N 385.854 2.604 0 40 GFAB COC(=O)/C(=C/Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 100025909 SLCCVCBGYZFRRV-ATVHPVEESA-N 377.418 2.604 0 40 GFAB COc1ccc(C2=C[C@H](c3ccc(OC)c(OC)c3)n3nnnc3N2)cc1OC 101118775 FQZGPOAWWPAHHD-OAHLLOKOSA-N 395.419 2.764 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c1 101851941 JRODWOVQITUEJD-ZIAGYGMSSA-N 387.432 2.659 0 40 GFAB O=CNCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 224545234 AJWAZAXPESSBGE-HXUWFJFHSA-N 396.443 2.895 0 40 GFAB COc1ccc(Cl)cc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225165871 UGSZZLTZOXYWJV-INIZCTEOSA-N 397.880 2.973 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 225688620 GTZZQPXLEMWVCC-UHFFFAOYSA-N 378.431 2.612 0 40 GFAB Cn1nc(-c2cccs2)cc1C(=O)NCc1nc(-c2cc(C3CC3)on2)no1 238855097 JVVIOLMEQFZBDO-UHFFFAOYSA-N 396.432 2.994 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1C 245070536 QODAUZQRTRBINV-GOSISDBHSA-N 387.505 2.741 0 40 GFAB COCC(=O)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257250525 JMXAJLOYGRMROE-NSHDSACASA-N 381.358 2.596 0 40 GFAB COc1ccccc1C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390826162 DKHPFXAQBXYQCH-GOSISDBHSA-N 377.437 2.836 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390831625 SYHTXJKWWJVHEY-UHFFFAOYSA-N 398.850 2.557 0 40 GFAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)c(F)c4)CC3)[C@H]2C1 585106200 BXINPCAUDGUGAS-MSOLQXFVSA-N 387.499 2.587 0 40 GFAB C[C@H](NC(=O)Nc1cccn(CC(F)(F)F)c1=O)[C@@H]1C[C@H](C(=O)O)C1(C)C 653540619 NTZQEUBLADQOLD-GARJFASQSA-N 389.374 2.668 0 40 GFAB Cc1nn(Cc2nc(C3(c4ccc(C(F)(F)F)cc4)CCC3)no2)c(=O)n1C 656041680 QMNTXMDOYLXCHQ-UHFFFAOYSA-N 393.369 2.810 0 40 GFAB CC1(C)OCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1N1CCOCC1 661124189 WJKZTFSVYKKFBY-OAHLLOKOSA-N 381.904 2.791 0 40 GFAB COc1ccc(Cn2c(=O)c3sccc3n(C[C@@H]3CCCOC3)c2=O)cc1 1888947694 CKCPNHIIUXSMBO-HNNXBMFYSA-N 386.473 2.708 0 40 GFAB CCOc1cccc2sc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nc12 1889179252 YDAQEECSBGGXRG-GFCCVEGCSA-N 381.523 2.746 0 40 GFAB Cc1csc(C(=O)N2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)c1 2055772980 FRICOFXPDXHKLW-GOSISDBHSA-N 377.535 2.878 0 40 GFAB COc1cccc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1OC 23080201 VROFTHIJAOEYFY-UHFFFAOYSA-N 380.400 2.717 0 40 GFAB CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)CC1 23132316 UESWIRYPXCGRGS-GOSISDBHSA-N 399.535 2.926 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 4912466 OFNXOQZFBUDSIU-UHFFFAOYSA-N 399.882 2.878 0 40 GFAB CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 6144922 GAKBSMWXZRLDFT-UHFFFAOYSA-N 380.441 2.556 0 40 GFAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2csc3ccccc23)CC1 24759109 SXTLTUSSJFVUMA-AWEZNQCLSA-N 397.552 2.613 0 40 GFAB Cc1noc(C(C)C)c1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 25906830 NEVJZJLLNJSLOE-UHFFFAOYSA-N 397.522 2.751 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)n(C)c1 26079829 RDWRWTBJOYPWNC-UHFFFAOYSA-N 377.249 2.597 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)cc1 12760385 GGXMUQIUARCYBA-UHFFFAOYSA-N 386.429 2.852 0 40 GFAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3318998 HPRILHNYVQMUJX-UHFFFAOYSA-N 378.450 2.823 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 28096532 UXSNCTJJHPFONX-UHFFFAOYSA-N 387.443 2.818 0 40 GFAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(S(N)(=O)=O)c1 12876032 GDEANOASLYCYDG-LLVKDONJSA-N 386.395 2.773 0 40 GFAB Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12893873 YHARPZGRMGBIMZ-UHFFFAOYSA-N 385.445 2.747 0 40 GFAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 12855075 QTRGWNFBWCNLCS-LLVKDONJSA-N 384.306 2.663 0 40 GFAB COC(=O)c1sccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 45642898 NRAZYKSVUJSXDD-UHFFFAOYSA-N 383.385 2.630 0 40 GFAB COc1ccc(OC(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)cc1 408975166 IQCIMIQIVDECOO-UHFFFAOYSA-N 375.340 2.505 0 40 GFAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC(F)F)cc1 3573218 UFIIWHQNLTVYRS-UHFFFAOYSA-N 391.403 2.991 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12921863 ZSTRPWSPAOVELB-MRXNPFEDSA-N 386.473 2.581 0 40 GFAB Cc1ccc(CNC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12910507 DKPMDEIUIVDOHC-UHFFFAOYSA-N 381.476 2.668 0 40 GFAB C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1F 12906334 SHVKWNYFOCMOBZ-GFCCVEGCSA-N 380.416 2.996 0 40 GFAB Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 13548890 JPASEUFMWVKXCO-GFCCVEGCSA-N 383.470 2.630 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(OC)c(F)c2)C1 96000123 ZNQHZAKEJFSKLM-AWEZNQCLSA-N 376.432 2.522 0 40 GFAB O=C(c1ccc(Br)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4320161 WLPSPUKVMSTCQR-AWEZNQCLSA-N 398.278 2.872 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N1CCC(C(N)=O)CC1 6510746 OKYIBFKFXZKGQR-VOTSOKGWSA-N 390.846 2.710 0 40 GFAB CC(=O)Nc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 6609304 HUWPADQJSFYEER-UHFFFAOYSA-N 389.458 2.911 0 40 GFAB COc1ccc(-c2cc3c(N4CCC5(CC4)OCCO5)nccn3n2)cc1OC 67285287 LHSDMSMQXIHKGD-UHFFFAOYSA-N 396.447 2.757 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 15324082 RNEUCJUWHSTZRV-UHFFFAOYSA-N 394.880 2.638 0 40 GFAB COC(=O)/C(=C\Nc1ccccc1N)S(=O)(=O)c1ccc(F)c(Cl)c1 67340395 JDSLGPYLESPJNP-OQLLNIDSSA-N 384.816 2.962 0 40 GFAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)OCCO2 7735172 QPPIZLPEPWZDLI-NSHDSACASA-N 382.338 2.516 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1cccc(C(C)=O)c1 8074341 HYTHIZBOGRJKCO-UHFFFAOYSA-N 386.423 2.572 0 40 GFAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 306128070 GPHRUCIVJDEBJQ-CTNGQTDRSA-N 383.517 2.750 0 40 GFAB COC(=O)c1c(NC(=O)C2CCN(C(=O)C3CC3)CC2)sc2c1CCC2 83891611 MWBQAOBAJTXNDF-UHFFFAOYSA-N 376.478 2.611 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)C[C@H](C)O1 8851352 FQFZDKCEELBFHC-HOTGVXAUSA-N 394.537 2.937 0 40 GFAB CN(CC(F)F)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 72301416 VSQPXEVXXIQQRH-CYBMUJFWSA-N 399.869 2.881 0 40 GFAB COc1ccc(CNC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)cc1OC 72401136 LVOMNPPUTOMCGN-UHFFFAOYSA-N 395.459 2.854 0 40 GFAB COc1ccc(-c2ccc(=O)n(CN3CCc4ccccc4C3)n2)cc1OC 72405904 CKDHBNVMVUINEE-UHFFFAOYSA-N 377.444 2.943 0 40 GFAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 22397725 KQSIHOCJHFWAMW-CQSZACIVSA-N 394.468 2.868 0 40 GFAB O=C(Cc1csc(N2CCNC2=O)n1)Nc1cccc(-c2nccs2)c1 89780535 KFZBWZKMKANBSY-UHFFFAOYSA-N 385.474 2.977 0 40 GFAB O=C(Cn1c(=O)cc(C(F)(F)F)n2c3ccccc3nc12)N1CCCCC1 36621386 CNNWRJZXHLWOHV-UHFFFAOYSA-N 378.354 2.681 0 40 GFAB O=C(NC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 35315483 HTUHMJZUUQVEIP-UHFFFAOYSA-N 397.519 2.834 0 40 GFAB C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)n1ccnc1 563263188 WRAFKIHNKCBKMJ-RHSMWYFYSA-N 384.436 2.552 0 40 GFAB COC[C@H](C)NC(=O)CN1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 72374272 DXJQJNIBXVNVAJ-KRWDZBQOSA-N 397.523 2.859 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(C)cc2)Oc2ccccc21 44950109 LFCYBIGAQQQONH-HNAYVOBHSA-N 388.489 2.790 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)COc2ccccc2OC)ccc1C 225172879 KFPLBSPLCOBJOJ-AWEZNQCLSA-N 393.461 2.536 0 40 GFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)[C@@H](C)Oc3ccc(C)cc3)C(=O)[C@@H]21 225655890 DFFRHIGGYFKYAY-GNQXEYABSA-N 382.460 2.771 0 40 GFAB C[C@H]1CN(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC[S@](=O)C1 570801599 PEWVAROKZSPYAZ-KPHLJTLVSA-N 390.490 3.184 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220656376 ZCOHNRRBZLRIGP-SFHVURJKSA-N 394.468 2.695 0 40 GFAB CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)OCCO2 223768609 UOWZEQFDNAPLLT-UHFFFAOYSA-N 377.462 2.939 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccccc1Cl 224148261 CZJNDEIIBXFFEO-UHFFFAOYSA-N 376.848 2.677 0 40 GFAB CC[C@H](C(=O)Nc1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220639932 ORYDOJCSPVFYNZ-QGZVFWFLSA-N 392.477 2.887 0 40 GFAB Cc1cnn(C)c1C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 576326255 VIJDMHGRHYXNGJ-UHFFFAOYSA-N 379.464 2.778 0 40 GFAB CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237902 CDUHEEAXCWRXRN-HSZRJFAPSA-N 395.478 2.951 0 40 GFAB O=C(O)c1cc(I)c(-c2ccc(Cl)cc2)[nH]c1=O 96517597 YSYPQWMDKYDHSE-UHFFFAOYSA-N 375.549 2.998 0 40 GFAB CCOC(=O)c1nc2cccc(Br)n2c1I 90470955 KAIGFABRIGFUDI-UHFFFAOYSA-N 394.994 2.878 0 40 GFAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCc2nc3ccccn3c(=O)c2C1 238977376 ZXNVPJUVPCOQET-UHFFFAOYSA-N 389.333 2.792 0 40 GFAB CCN(C)C(=O)c1ncn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 96155707 HDUFIWCUGIRATF-UHFFFAOYSA-N 378.480 2.596 0 40 GFAB CC(=O)N1[C@@H]2CN(C(=O)CN(C)Cc3ccc(F)cc3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257316714 VGRFHGZPIPHDLE-CUXKYVRBSA-N 387.499 2.648 0 40 GFAB Cc1nn(C)cc1[C@H]1CCCN1C(=O)NC1CCN(Cc2ccncc2)CC1 675242007 NSWVSUUZLQVTKQ-HXUWFJFHSA-N 382.512 2.635 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cc(C)oc2C)cc1Cl 90613487 OQUQTFSQEPFIMZ-HNNXBMFYSA-N 380.828 2.737 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96367097 CSFYKBZIONFTGK-OAHLLOKOSA-N 388.445 2.886 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccc(C)o1)C2 585106837 JHGFBJJCQPNCJW-JOCHJYFZSA-N 392.459 2.982 0 40 GFAB O=C(CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)c1ccccc1 35510519 QKFWXTIOSAABPK-UHFFFAOYSA-N 380.404 2.994 0 40 GFAB Cc1ccccc1[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)NC(N)=O 43740264 WDIXOUVZCYIPJK-NRFANRHFSA-N 394.519 2.875 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)NCCOc1ccc2c(c1)CCC2 40157026 BWUWWRLWKDXVPL-UHFFFAOYSA-N 394.471 2.876 0 40 GFAB COc1cc(OC)nc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)n1 553079630 YTDLMBLWDOBUCD-UHFFFAOYSA-N 396.491 2.901 0 40 GFAB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 5744039 ZAKUFSMBJMSWFL-JLHYYAGUSA-N 386.404 2.674 0 40 GFAB CCN1C(=O)[C@H](c2ccc(F)cc2)C2(CCN(C(=O)c3ccco3)CC2)C1=O 12115852 WGZNHFMGCXZUIW-KRWDZBQOSA-N 384.407 2.814 0 40 GFAB CCc1cnc2c(c1Nc1cccc(C(F)(F)F)c1)c(=O)n(C)c(=O)n2C 12227097 MCLGKEPOLRVJDM-UHFFFAOYSA-N 378.354 2.957 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OC 16681826 TYJJZKMXTHHINS-UHFFFAOYSA-N 398.868 2.908 0 40 GFAB Cc1ccccc1OCCC(=O)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 19237376 BSJZJMUXKNFYME-OAHLLOKOSA-N 379.420 2.620 0 40 GFAB O=C(Cn1cc(C(=O)c2ccc(F)cc2)c2ccncc21)N[C@H]1CCCOC1 19332233 ORBNQIWGDBWLOJ-INIZCTEOSA-N 381.407 2.702 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)N1C[C@@H]2CCC[C@H](C1)C2N1CCOCC1 19349618 YYVLPOFYQQLLFM-MCPYQZEQSA-N 398.956 2.603 0 40 GFAB Cc1c(C(=O)N2CCC[C@H]2c2nnc3n2CCN(C)CC3)[nH]c2ccc(F)cc12 19710765 NCFQARNXVBHHSG-KRWDZBQOSA-N 396.470 2.672 0 40 GFAB CNc1cc(CN(C)C(=O)CCc2ccc(OC)cc2)nc([C@@H]2CCCN2)n1 19759989 NDUGVYAYBPTKEY-SFHVURJKSA-N 383.496 2.543 0 40 GFAB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)c2C)cc1 6225525 PDYSVQSZHDDVBD-WOJGMQOQSA-N 381.432 2.722 0 40 GFAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1OC 3659155 APRDCPGMRJCOCG-NVNXTCNLSA-N 386.379 2.944 0 40 GFAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1cnc(C)cn1)c1ccccc1O2 12275022 CGFWOONUYCWFTO-VGSWGCGISA-N 394.475 2.810 0 40 GFAB COc1cc(CN2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc(OC)c1OC 19555347 NNETVHLGJSIHOW-MRXNPFEDSA-N 387.480 2.792 0 40 GFAB COc1ccc2sc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2c1 1888913881 HHPQWXQTXVVDAF-UHFFFAOYSA-N 385.493 2.919 0 40 GFAB Cc1cc(OC[C@H]2CO[C@@H]3CN(C(=O)Cc4cccc(F)c4)C[C@@H]32)cc(C)n1 1565542329 QJZYXAOXTBSPEU-IOMROCGXSA-N 384.451 2.932 0 40 GFAB COc1cccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)c1 4090853 LNPGETLWPJAHAS-HXUWFJFHSA-N 393.443 2.649 0 40 GFAB biogenic Cc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)cc1 4792902 YJMIIQZPCMLUGA-UHFFFAOYSA-N 385.423 2.917 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 5329284 UJNRNAKRWDIQKZ-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)NCCc1ccccc1 8769624 KMWUOYZJAQRWGR-UHFFFAOYSA-N 391.471 2.809 0 40 GFAB CCCCC1=N[C@@H]2c3c(C)cc(C)nc3S[C@@H]2C(=O)N1N(C(C)=O)C(C)=O 15107202 IAVMFEFUOBPFPB-SJORKVTESA-N 388.493 2.955 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2ccc(N3CCCC3)cc2)cc1OC 16847275 GVZBWWHPGHIHHS-UHFFFAOYSA-N 390.505 2.825 0 40 GFAB Oc1c([C@@H](c2ccc(F)cc2)N2CCC3(CC2)OCCO3)sc2ncnn12 22609686 XNHGXTXUIHXZIR-CQSZACIVSA-N 390.440 2.564 0 40 GFAB CCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O 22767978 TXWZQJZKFKSJKH-UHFFFAOYSA-N 385.855 2.639 0 40 GFAB O=S(=O)(c1cccs1)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 23125986 VNMSMMBASINTPR-ZDUSSCGKSA-N 376.463 2.761 0 40 GFAB CCn1cc(C(=O)NCc2cc(OC)ccc2OC)c(=O)c2ccc(C)nc21 49002252 AHOVFEDRSGPAEZ-UHFFFAOYSA-N 381.432 2.672 0 40 GFAB Cc1nn(CCNS(=O)(=O)c2c(C)noc2C)c(C)c1-c1ccsc1 575615398 OOODNILHMXWANS-UHFFFAOYSA-N 380.495 2.812 0 40 GFAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncnc3ccc(F)cc23)C1 585606483 XVCIZTZSGORZOX-UHFFFAOYSA-N 388.406 2.524 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccc(C)cc1 8770327 VDZWRTQOCCOGEJ-UHFFFAOYSA-N 377.400 2.970 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)cc1)CS2 40040135 GPZNGKCMCNPXJM-CZUORRHYSA-N 388.411 2.698 0 40 GFAB C[C@@]1(c2cccc(NC(=O)CCc3nc4ccccc4s3)c2)NC(=O)NC1=O 40110922 PEILEVSXIFDGOB-FQEVSTJZSA-N 394.456 2.922 0 40 GFAB O=C(/N=c1\sccn1Cc1ccccc1)c1cccc(N2CCNC2=O)c1 51081510 NOSHIIDICYUCEZ-XDOYNYLZSA-N 378.457 2.869 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C(=O)CCc2ccccc2)CC1 32827189 XENJVZFIOGQBSM-UHFFFAOYSA-N 392.459 2.666 0 40 GFAB O=C(NC1CCN(C(=O)COCCOc2ccccc2)CC1)c1ccccc1 32928383 YHSDOYDKMKJRKG-UHFFFAOYSA-N 382.460 2.503 0 40 GFAB O=C(NCCc1ccco1)c1cccc(S(=O)(=O)NCc2cccs2)c1 21911818 VPTNOUDZRDULTN-UHFFFAOYSA-N 390.486 2.792 0 40 GFAB CCCc1nc(C)c(C(=O)Nc2cccc(C(=O)NCC(=O)OC)c2)s1 53355027 VDENLFTVSJECJE-UHFFFAOYSA-N 375.450 2.559 0 40 GFAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1 665999 KUVUOEIEPFLZSK-MRXNPFEDSA-N 395.459 2.523 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(C)n2CCc2ccccc2)s1 923702 OXOLHNKQFBLVMD-UHFFFAOYSA-N 388.522 2.974 0 40 GFAB CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C(=O)c1cccc2c1OCO2 79022908 XRYCRNBAPBJQGU-LLVKDONJSA-N 382.372 2.579 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)NCc3nc4ccccc4n3C)CC2=O)cc1 24180076 LIHKDAYQSHQEOM-OAHLLOKOSA-N 392.459 2.641 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1 10286031 JRCNDKPXULILLY-OAHLLOKOSA-N 376.478 2.903 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C(=O)N1CCC(C)CC1 10541808 RGVLGQJBQQORBO-MRXNPFEDSA-N 394.537 2.988 0 40 GFAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693006 XDKYFTACGCGEQS-UHFFFAOYSA-N 379.309 2.623 0 40 GFAB C[C@@H]1CN([C@H](CNS(=O)(=O)CCCF)c2c(F)cccc2Cl)CCO1 107066639 ASGPQCMAPIWDAO-IUODEOHRSA-N 396.887 2.520 0 40 GFAB CCN(CC)C(=O)CCCC(=O)N(CC(=O)OC)Cc1ccc(F)c(F)c1 95395708 ZXTQTKRXZBWOSF-UHFFFAOYSA-N 384.423 2.505 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(c3nccs3)CC2)cc1Br 57484024 VALVLXNCXIBPPC-UHFFFAOYSA-N 395.326 2.975 0 40 GFAB CCOC(=O)c1cc2cc(NC(=O)NC[C@H]3CCS(=O)(=O)C3)ccc2s1 58159799 LAYIBGMQDAMJJD-LLVKDONJSA-N 396.490 2.634 0 40 GFAB Cn1cnnc1-c1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 58169347 ZIXUWCSSMHVECL-QZTJIDSGSA-N 385.468 2.674 0 40 GFAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@@H](C(F)(F)F)C1 10286977 RLFRHKBWSZCKDR-CQSZACIVSA-N 390.427 2.886 0 40 GFAB NC(=O)CCN(C(=O)COC(=O)C1(c2ccccc2)CCC1)c1ccc(F)cc1 12777598 ULLVWZFHPXNECO-UHFFFAOYSA-N 398.434 2.699 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)OCCO2 12747104 XAEUTYQPZPCNSZ-UHFFFAOYSA-N 395.242 2.811 0 40 GFAB CCOc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2nccn2C)ccc1OC 100149969 WSFZGMSLSWGTDR-QZTJIDSGSA-N 385.508 2.947 0 40 GFAB CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2NS(C)(=O)=O)c1 12760049 BMWJUNVLMPYHGW-UHFFFAOYSA-N 389.477 2.583 0 40 GFAB O[C@H](COCc1ccccc1F)CN1CCN(Cc2ccc(F)cc2)CC1 22030456 SDKCASIKAOPJMZ-FQEVSTJZSA-N 376.447 2.660 0 40 GFAB CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2cccc(Cl)c2)CC1 48365915 CCQWEJDTTDBGMB-INIZCTEOSA-N 383.945 2.637 0 40 GFAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57489523 XXBIAMAILCTTMI-CQSZACIVSA-N 383.473 2.615 0 40 GFAB O=C(CNC(=O)c1ccoc1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 48363989 PKDUIYYHXNUZCI-UHFFFAOYSA-N 395.390 2.717 0 40 GFAB CN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(NC(=O)C4CC4)c3)cc2C1=O 29173779 WYEYOELQIKDYKR-UHFFFAOYSA-N 381.363 2.652 0 40 GFAB CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 22246982 SFRRHBWAQPQLLM-SFHVURJKSA-N 378.469 2.584 0 40 GFAB CCOC(=O)CCCC(=O)c1ccc(CN2CCC3(CC2)OCCO3)cc1 2514765 HVAJCABNCJCUGO-UHFFFAOYSA-N 375.465 2.942 0 40 GFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 2637064 NPPGLACOGCEOJW-UHFFFAOYSA-N 397.460 2.807 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(C)c1 20635687 IYQCCGNJCVHELO-CQSZACIVSA-N 394.479 2.730 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 12936173 XXJNJQCKKKWEHC-MRVPVSSYSA-N 392.264 2.904 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(C(=O)c2cccs2)CC1 12982374 DMSUOYKSAOGZOP-LBPRGKRZSA-N 379.432 2.811 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H]1CCCc2ccccc21 13551619 SSAFLAROSIMJED-ROUUACIJSA-N 381.432 2.674 0 40 GFAB COC(=O)c1ccccc1NNC(=O)CCCNC(=O)c1ccc(Cl)cc1 95464907 JTTBURWZVYWILN-UHFFFAOYSA-N 389.839 2.780 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2C)C1=O 4514340 ZZXDMFSOPVKLNJ-JOCHJYFZSA-N 397.450 2.950 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 14241269 QSYBUJHUSGOFJI-INIZCTEOSA-N 377.448 2.573 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O 4695993 VKYJTSKVDZZKND-XNTDXEJSSA-N 385.807 2.880 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1nc2ccccc2c(=O)[nH]1 6653826 CHPOFEKQFUFBEL-UHFFFAOYSA-N 393.443 2.676 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCc2sccc2C1)c1cccc(Cl)c1 22328890 NAYKXLAYLQVTAB-UHFFFAOYSA-N 384.910 2.752 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccccc1Cl 4778207 TYJCNCASNKKQID-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2Br)C1=O 6762495 ZBEFLIGEOCBLNP-INIZCTEOSA-N 382.258 2.744 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccc(F)c1 4877073 IKRLTFNDFBFZAH-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB OCCNCc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 15183953 KKZIHHOUKCGZOH-UHFFFAOYSA-N 379.460 2.842 0 40 GFAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 20458105 MVNXHXIWPSHNCP-GOSISDBHSA-N 375.494 2.810 0 40 GFAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCCOc1ccccc1 15555183 JDSYZPJXJVVNKG-UHFFFAOYSA-N 393.226 2.785 0 40 GFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@H]1CCOc2ccccc21 7218565 UFRIDCYJDWXHRQ-INIZCTEOSA-N 394.452 2.989 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Br)o1 18099013 GAXBHSHSJOUXSQ-UHFFFAOYSA-N 376.210 2.941 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)c2ccccc2)c(C)c1 18006530 RYVFXXUJONFDDV-XSDIEEQYSA-N 399.450 2.900 0 40 GFAB CO[C@H](C)c1noc(CN(C)C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)n1 72311410 CZBIDQKXXWZJAY-ORAHPGNNSA-N 379.800 2.831 0 40 GFAB CCOc1ccc(-c2cn(C3CN(C(=O)CCc4cscn4)C3)nn2)cc1 95998034 JKOKNJDVIIJNAX-UHFFFAOYSA-N 383.477 2.816 0 40 GFAB CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)Nc2ccc(F)c(-n4nnnc4C4CC4)c2)[C@H]31 554266909 YMMPZQSATCWUPM-QHEVRDBASA-N 398.442 2.566 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(F)c3)c3ccccc3n12 64871613 ATMHQAMFUGCYLC-UHFFFAOYSA-N 379.395 2.775 0 40 GFAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[C@H](n2cccn2)C1 555259821 DDTFWAQJMDMKCY-KRWDZBQOSA-N 399.495 2.986 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 524735363 XRGCJIJHUVDILW-HTAPYJJXSA-N 382.460 2.721 0 40 GFAB O=C(NCc1ccc2c(c1)CCS2(=O)=O)N1CCC(OC2CCCC2)CC1 532062873 DPKWRYMNOFPBGG-UHFFFAOYSA-N 392.521 2.650 0 40 GFAB CC(=O)c1c(C)cc(C)cc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl 32623873 XFYNRTSUKMTJQH-UHFFFAOYSA-N 382.825 2.572 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1 32152727 BKBMWZHKMUGBSR-UHFFFAOYSA-N 377.448 2.547 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F 31808124 AQVKTTOTCKTDAP-QGZVFWFLSA-N 394.834 2.813 0 40 GFAB CC(=O)N1CC[C@@H](c2c(C(=O)NCc3noc(C)n3)sc3ccccc23)C1 72352594 MMEGPRKHHZEXNB-CYBMUJFWSA-N 384.461 2.859 0 40 GFAB O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc2c(c1)CCCC2 70923088 WOVJRJLLUKEFMC-UHFFFAOYSA-N 386.521 2.550 0 40 GFAB O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)NCc1ccco1 40267392 XHSTWUAIGHDTJX-UHFFFAOYSA-N 398.488 2.635 0 40 GFAB CCOCc1nn2c(=O)cc(COC(=O)[C@@H](CC)c3ccccc3)nc2s1 41077287 LEIHVMADFWSKNV-HNNXBMFYSA-N 387.461 2.925 0 40 GFAB O[C@H](COCCOc1ccc(F)cc1)CN1CCN(c2ccccc2F)CC1 41690264 HFNJROXTWOJDHL-SFHVURJKSA-N 392.446 2.543 0 40 GFAB CCOC(=O)N1CCN(C(=O)CN(C)c2nc3c(Cl)cccc3s2)CC1 77196741 XJVKPIIDHPYLJZ-UHFFFAOYSA-N 396.900 2.687 0 40 GFAB COc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccsc2)CC1 43940954 FVJPEEIYXLHYOQ-UHFFFAOYSA-N 387.505 2.724 0 40 GFAB Cc1ccccc1N(CCCC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 222552259 DNRVFAQOHGLDDT-UHFFFAOYSA-N 390.461 2.909 0 40 GFAB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955844 NFTGPYXAFGGXNX-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB O=S(=O)(NCC[C@H](O)c1cccc(Cl)c1)c1cccc2nsnc12 225612352 JFXKAFNWWGQNFU-ZDUSSCGKSA-N 383.882 2.747 0 40 GFAB Cc1ccc(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 225086958 JJYQIUUAAWCXQE-UHFFFAOYSA-N 386.473 2.560 0 40 GFAB O=C(Cc1cscn1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 585105607 XNNDLXFATLJUAJ-UHFFFAOYSA-N 389.912 2.721 0 40 GFAB CN1CC2(CCN(Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O 96037127 IVVAYWHRRCNPJX-UHFFFAOYSA-N 376.478 2.575 0 40 GFAB COC(=O)c1nc(NC(=O)CCNc2ncccn2)sc1-c1ccccc1 95478012 JCXQSDBNLZONTN-UHFFFAOYSA-N 383.433 2.827 0 40 GFAB O=C([C@@H](CO)c1ccc(F)cc1)N1CCc2c(ncn2CCc2ccccc2)C1 585080835 LHMMRVQSZSCKJO-FQEVSTJZSA-N 393.462 2.926 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccco3)C2)cc1 247909916 JLMLRTBMMMMPRS-YJLNNSPDSA-N 377.462 2.597 0 40 GFAB COc1cc(C)ccc1CN1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 257254328 KCPMPMKHOZZTAM-LJQANCHMSA-N 392.463 2.901 0 40 GFAB COc1ccc2cc(C(=O)N[C@]3(CO)COc4ccccc4C3)c(C)nc2c1 529820416 OYGSKHSVRADUEL-JOCHJYFZSA-N 378.428 2.648 0 40 GFAB Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@@H]3Cc2ccccc2)c1 257214597 CMPFOOKSKXEEMC-HVJVJISESA-N 378.520 2.934 0 40 GFAB CSc1ccc(/C=C/C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 96120431 SEAJXYTXVYNSDU-RUDMXATFSA-N 394.562 2.742 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](Oc2ccncc2Cl)C1 575607676 VRAVOYIEBOBMME-LBPRGKRZSA-N 386.832 2.725 0 40 GFAB Cc1ncncc1C(=O)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 585182583 ZOSYXHUINXXWNT-SFHVURJKSA-N 382.395 2.717 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1C(=O)NCC1CC1 1042617 VLCSPIPISSRBPG-UHFFFAOYSA-N 375.432 2.968 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CC[C@@H](O)[C@@H](C)C2)nc1-c1cnc(C)cn1 12156495 RUGKBOSDUMNVES-KPZWWZAWSA-N 394.479 2.975 0 40 GFAB CCOc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 5221566 UPZDTFZDIBQTON-OAHLLOKOSA-N 384.432 2.638 0 40 GFAB COc1ccc(O[C@H](C)C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 11710756 FSPJCTKGUGWFGJ-CYBMUJFWSA-N 375.421 2.805 0 40 GFAB CCn1c(N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)nc2ccccc21 12145839 QLKFUACXFAGEJH-QGZVFWFLSA-N 380.496 2.676 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)ccc1C 13069475 MWJZPPCIGOCVKM-IYBDPMFKSA-N 395.569 2.942 0 40 GFAB CCCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13083750 VTWSOWZJEYMCOA-MRXNPFEDSA-N 394.479 2.871 0 40 GFAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccccc1)S(C)(=O)=O 13711792 LZWBHFMKXOKRPE-KRWDZBQOSA-N 390.461 2.657 0 40 GFAB CN(CCCC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 14180261 QBMLFWFNYXKKFI-UHFFFAOYSA-N 382.463 2.516 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 15818549 GYUKBCXEAWYANH-OAHLLOKOSA-N 387.480 2.826 0 40 GFAB CC(C)c1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1 16965666 ZNXALCXRHHRWGY-UHFFFAOYSA-N 388.902 2.574 0 40 GFAB Cc1c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)on2)cnn1C 19554205 OROAYAGGKNXIAN-GOSISDBHSA-N 394.410 2.776 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)nc4ncccc34)C2)cc1 12254040 DKOITHUIUDKBHY-HNNXBMFYSA-N 398.488 2.910 0 40 GFAB Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[C@@H](C(=O)O)NC4)cc3)nc12 657219681 JRJXAVHVIOQQAL-RDJZCZTQSA-N 378.432 2.701 0 40 GFAB CCOC(=O)Cc1csc(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)n1 3328030 HNOXQIFTUIMGPH-UHFFFAOYSA-N 396.490 2.955 0 40 GFAB COCc1nsc(N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)n1 1888843197 ZXNKYTFNIVEGKU-GHMZBOCLSA-N 385.415 2.671 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4noc5c4CCCC5)C[C@H]3C2)nn1 1888875927 LFEQBQLYMIKRDE-GASCZTMLSA-N 395.507 2.849 0 40 GFAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(C)cc2)C(=O)N1 1889004813 XRZCNCODMIHPNS-ZTNFWEORSA-N 387.457 2.558 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@](O)(c1ccsc1)c1ccco1 240122525 WBPRBMXYXWVPAT-KRWDZBQOSA-N 399.440 2.975 0 40 GFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccnc(OCC2CC2)c1 253402754 OQFXLLZJJAOBOX-AWEZNQCLSA-N 375.469 2.952 0 40 GFAB Cc1nc(C(=O)N2CCC[C@]3(COCCN(c4nccs4)C3)C2)cs1 1565549031 NMEWQFUWDCJYJH-KRWDZBQOSA-N 378.523 2.667 0 40 GFAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2C[C@@H](COc3cncc(Cl)c3)O[C@@H]2C1 1565555368 YVDGKIIZCMVMDR-XLWVJDPXSA-N 389.839 2.909 0 40 GFAB CCCCCCn1c(NCc2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C 2716130 OAJPXUXPHDEMMS-UHFFFAOYSA-N 385.468 2.624 0 40 GFAB COc1ccc(C)cc1NC(=O)c1c[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O 4033815 OFHSTGBQLJYJQK-UHFFFAOYSA-N 379.416 2.712 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1 12068938 CROBYKMEQYZIQV-UHFFFAOYSA-N 379.551 2.547 0 40 GFAB C[C@H]1CC[C@H](C(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)CC1 2055751394 RPJMLFWKCYNSIV-ZJBJCVSYSA-N 398.507 2.662 0 40 GFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc(C)cc1C 20051508 NLWWFQUWNWSYIG-SFHVURJKSA-N 389.521 2.523 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1 585631286 LWLIUTPFKQMBBH-UHFFFAOYSA-N 377.448 2.549 0 40 GFAB CCCn1c(=O)n(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c2ccccc21 30030348 GFTPOEJMMNUYNJ-OAQYLSRUSA-N 392.503 2.728 0 40 GFAB O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccc(-n2cccn2)nc1 40080088 AGANAKDPYSYVCF-UHFFFAOYSA-N 377.404 2.633 0 40 GFAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)C1 40107123 XOJXCPQEJKATEJ-LJQANCHMSA-N 393.531 2.894 0 40 GFAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 40145181 VKSZJPMCIASBIY-JTQLQIEISA-N 375.450 2.701 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3cc(Cl)ccc3O)c2c1 40309296 JGWGCFCHSFRSIL-UHFFFAOYSA-N 387.823 2.833 0 40 GFAB biogenic COc1ccc([C@@H](O)CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 31571065 XPAZACZXRGGCJN-IBGZPJMESA-N 395.459 2.903 0 40 GFAB COc1ccc(OC)c(/C=C/C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 32247854 ACYWFQONWXNOQK-OGECGYFKSA-N 396.487 2.734 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 102219823 UVTIJLMNERWMCM-QZWWFDLISA-N 375.513 2.962 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 32741658 NCDYSXQIGFXSPW-GOSISDBHSA-N 377.506 2.512 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102591898 OXXLUTSKRVQONV-KKUMJFAQSA-N 396.443 2.766 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 32922845 WPUBSMJBZBOESA-KRWDZBQOSA-N 376.409 2.669 0 40 GFAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 21974353 CNSFNTNLJPZUFL-UHFFFAOYSA-N 377.400 2.951 0 40 GFAB O=C1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1 47267020 UVTOYEDOUUGESR-INIZCTEOSA-N 398.406 2.957 0 40 GFAB O=C(NCc1cccs1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 8990286 FKIALEUYPRLNEJ-UHFFFAOYSA-N 376.873 2.601 0 40 GFAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 913143 YMQUVXMZUFZIES-UHFFFAOYSA-N 398.444 2.603 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3Cl)no2)cc1 6677964 JIUBNQAZNZRYBL-UHFFFAOYSA-N 393.852 2.920 0 40 GFAB C[C@@H]1CC(=O)N=C(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)N1 6930229 QOLIGRPAGCTXNN-CYBMUJFWSA-N 396.472 2.630 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 7793326 NBDJMBGTJLURQS-UHFFFAOYSA-N 394.880 2.638 0 40 GFAB CN1C(=O)Cc2cc(C(=O)CSc3nnc(Cc4cccs4)n3C)ccc21 7822532 ZQNAUKASXQTKOU-UHFFFAOYSA-N 398.513 2.961 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)cc1C 10301295 RZRVHAJKDVPNIP-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299212 KNSKKFWVERUHCL-POAQFYNOSA-N 399.564 2.805 0 40 GFAB biogenic,in-vitro Cc1ccc(NC(=O)CN(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1 8374597 ITJJPUDGEOFOAU-UHFFFAOYSA-N 381.432 2.780 0 40 GFAB CCOc1ccc(OCC(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1 12555784 FROFIQYSUZMQJF-UHFFFAOYSA-N 384.461 2.636 0 40 GFAB CCOC(=O)c1cnn(-c2nc(C(=O)OC)cs2)c1C(F)(F)C(F)F 25183518 WIYOCZORFVFAIQ-UHFFFAOYSA-N 381.307 2.649 0 40 GFAB C[C@@H]1CN([C@H](CNC(=O)COCC2CC2)c2c(F)cccc2Cl)CCO1 106860867 BOCZMGVFFJUYNU-CXAGYDPISA-N 384.879 2.784 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1nc2ccccc2c(=O)[nH]1 25480208 YMUILWFAGKFZKV-UHFFFAOYSA-N 376.460 2.872 0 40 GFAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1OCC(=O)NC 56114989 VTXGSRYDORQVQD-KRWDZBQOSA-N 376.478 2.549 0 40 GFAB O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 108358529 BRKODXKTUZABBD-IACUBPJLSA-N 375.812 2.817 0 40 GFAB C[C@@H](COc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 55731625 QRFCUULIBBTTEL-INIZCTEOSA-N 388.489 2.668 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1N 3283470 SWPDLAISJPBYLU-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N(C)C1CCCC1)S(C)(=O)=O 20104544 WCNYIGSRXJNZRY-LBPRGKRZSA-N 388.917 2.904 0 40 GFAB O=C(O)c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCSCC1 58358229 ARMVTANYBAXIOD-UHFFFAOYSA-N 378.475 2.739 0 40 GFAB COc1ccccc1NC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 48244239 ILKAFBYKFUDWTM-UHFFFAOYSA-N 378.450 2.863 0 40 GFAB COCCOCCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 45078497 AVVQRSBSJPUYMC-UHFFFAOYSA-N 382.464 2.727 0 40 GFAB CCOC(=O)c1sc2ncn([C@H](C(=O)N(C)C)c3ccccc3)c(=O)c2c1C 48264739 RCVQVAYCKINFFQ-HNNXBMFYSA-N 399.472 2.621 0 40 GFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 10833972 DCWUENWUXOCDDT-HNNXBMFYSA-N 382.869 2.561 0 40 GFAB COCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2304221 QPDYPMDASNKTRZ-UHFFFAOYSA-N 375.432 2.591 0 40 GFAB COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 12787350 QLZZEVOWQFHOPB-RBSFLKMASA-N 394.537 2.890 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1F 12739403 AEIBQITUTYBLFX-UHFFFAOYSA-N 382.432 2.622 0 40 GFAB C[C@]1(CNC(=O)CNC(=O)c2cccc(F)c2)CCCN1Cc1ccccc1 97165435 OWINPGJFYSSUKC-JOCHJYFZSA-N 383.467 2.726 0 40 GFAB O=C(CN1CCCc2cc(F)cc(F)c21)NCC(=O)Nc1ccc(F)c(F)c1 26726409 KZCMVTXMUKZFHK-UHFFFAOYSA-N 395.356 2.751 0 40 GFAB CCCCc1nnc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)s1 23363780 QFFRKDKUBUOTBU-UHFFFAOYSA-N 399.476 2.769 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccc(OCCOC)nc1 46820925 JWJRQBAOGJNSRB-UHFFFAOYSA-N 387.436 2.567 0 40 GFAB CCCCN(Cn1nc(-c2ccccc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12924211 CDMHWGQPILUXIA-MRXNPFEDSA-N 394.566 2.865 0 40 GFAB COc1ccccc1N1CCN(CCCC[C@@H]2Oc3cccnc3NC2=O)CC1 63117802 IYDMXXPIAQQDDS-FQEVSTJZSA-N 396.491 2.782 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)c3csc(CC(C)C)n3)CC2)c1 63575650 JMDUXMQVNBSGGS-UHFFFAOYSA-N 387.505 2.948 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C)C[C@@H]3c3ccccc3)CC2=O)cc1 19589330 LVUJVPPZPWRGND-GHTZIAJQSA-N 393.487 2.563 0 40 GFAB CCCc1cc(=O)oc2cc(OCC(=O)NCCCN(C)C)c(Cl)cc12 13555076 SGICYYSGCKPGTR-UHFFFAOYSA-N 380.872 2.846 0 40 GFAB CCn1c(=O)n(CCC(=O)Nc2cccc(C(=O)N(C)C)c2)c2ccccc21 22510520 KBPFILRXHDDPRA-UHFFFAOYSA-N 380.448 2.554 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccc2O)N1Cc1ccncc1 13693633 KNHDSTLDZWISEX-RXVVDRJESA-N 396.468 2.636 0 40 GFAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 5277652 ZOZNHPUOQPVUBT-SJORKVTESA-N 391.489 2.880 0 40 GFAB COc1ccccc1N1CCN(C(=O)CC(C)(C)CC(=O)N2CCCC2)CC1 6324308 YBZQOTKLYQFZQZ-UHFFFAOYSA-N 387.524 2.773 0 40 GFAB COC(=O)c1cc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)ccc1OC 14283842 IVEIFOKIIFBCOB-MRXNPFEDSA-N 396.443 2.689 0 40 GFAB CC[C@@]1(C)NC(=O)N(NC(=O)COc2ccc(Nc3ccccc3)cc2)C1=O 6589431 NIPXCJGYNWLQJY-HXUWFJFHSA-N 382.420 2.561 0 40 GFAB CCc1ccc(OCC(=O)NCCNC(=O)COc2ccc(CC)cc2)cc1 4657105 WYVOCXZUZUTBJR-UHFFFAOYSA-N 384.476 2.502 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1C 14774847 KHOAJONVYFXQPJ-SFHVURJKSA-N 399.491 2.994 0 40 GFAB C[C@H](NC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 5621513 QMWSIZGECAOZLR-LBPRGKRZSA-N 395.864 2.778 0 40 GFAB CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(Cc2ccccc2)c1 15508967 CTOFGGXUCWLQDT-FQEVSTJZSA-N 391.475 2.560 0 40 GFAB CN(CC(=O)NC1CC1)C(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 7785008 NOEDORKBBPHPQY-UHFFFAOYSA-N 397.319 2.873 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N(C[C@H](O)c2ccccc2)C2CC2)cc1 95461982 ZLFKORHOTBYQLC-IBGZPJMESA-N 389.473 2.750 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3I)C(=O)[C@H]12 408756879 UVIBTAFZXULIMN-GVAFMPQTSA-N 395.196 2.514 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(OC(F)F)cc2)no1 8775906 OUFZLWIRMJUWCZ-LLVKDONJSA-N 399.419 2.961 0 40 GFAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccc(NC(=O)c2ccco2)cc1 18375985 WOSOZNSFULFYCY-UHFFFAOYSA-N 389.367 2.897 0 40 GFAB O=C(Nc1cnn(-c2nccs2)c1)[C@H]1CCn2c(cnc2C(F)(F)F)C1 95993272 GJMCSEDTOHHNMQ-VIFPVBQESA-N 382.371 2.745 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 25767266 FWSMKKLJOGKBCB-VMPITWQZSA-N 390.480 2.854 0 40 GFAB COc1ccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 113967109 GVGWRYAGZYSAHU-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 306131474 KFRZZVZGJFVCEY-FPOVZHCZSA-N 377.469 2.899 0 40 GFAB COc1cc(C)c(NC(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)cc1C 408571019 MUCHTUFLJTZQBQ-UHFFFAOYSA-N 379.416 2.573 0 40 GFAB COc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1OC 408627532 NVGCUJATKSMFIQ-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB COc1cc2c(cc1OC)CCN(C(=O)c1cccc(C(=O)NC3CC3)c1)CC2 525881079 SZJFFZXVVZHWLL-UHFFFAOYSA-N 394.471 2.837 0 40 GFAB COc1cccc(N(CC(=O)NCc2ccccc2)C(=O)c2csnn2)c1 35291233 TYNXVJDUVVUVMT-UHFFFAOYSA-N 382.445 2.510 0 40 GFAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)C1CCCCC1 71980585 HITFWAYAVWRVCO-LJQANCHMSA-N 386.492 2.871 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(CN)C(=O)O)cc1 218575249 JJYMCHHCEJXEPQ-XYJFISCASA-N 379.865 2.618 0 40 GFAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1cccc3cccnc13)C2 72347211 MQNNWEGDTSJBJY-UHFFFAOYSA-N 375.476 2.867 0 40 GFAB CCCc1nc(S/C(=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)O)n[nH]1 213388533 PRVDXWZKHAQPLS-PCRWRXJSSA-N 385.449 2.857 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2Br)C1 223042201 GPNDTUNRTVJHKD-GFCCVEGCSA-N 389.315 2.758 0 40 GFAB CN(c1cccc(C(=O)NCCSCc2ccccc2F)c1)S(C)(=O)=O 222418282 VGIUDYJHWCMDEG-UHFFFAOYSA-N 396.509 2.885 0 40 GFAB COc1ccccc1S(=O)(=O)NC[C@H](c1cn(C)c2ccccc12)N(C)C 77171687 JDTOOIKYHUUBJY-GOSISDBHSA-N 387.505 2.768 0 40 GFAB COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1N1CCCC1=O 44901186 JEUQFZSARJZJBX-UHFFFAOYSA-N 378.494 2.991 0 40 GFAB Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)[C@H](C)C2 41085457 KEBROIDDIGRKSR-LLVKDONJSA-N 380.495 2.581 0 40 GFAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)COc1ccc(Cl)cc1 224300875 HANMYNUWZYBPHV-UHFFFAOYSA-N 376.844 2.601 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222947807 WBPPNAXNEPPXJO-INIZCTEOSA-N 392.496 2.725 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(COC(C)C)c2)CC1 224720482 VPBKTFYCIMHAEN-UHFFFAOYSA-N 378.469 2.925 0 40 GFAB Cc1cc(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)c(C)o1 225564051 OCWIUEQYIDRCKV-UHFFFAOYSA-N 398.385 2.931 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)[C@@H]2C1 96080573 HGSIBYOOHYUPLA-PKOBYXMFSA-N 376.909 2.986 0 40 GFAB O=C(Nc1nnc(C2CCOCC2)s1)N[C@@H]1C[C@H]1c1c(F)cccc1F 580161119 RXNSTBJZCPOIRB-ZWNOBZJWSA-N 380.420 3.388 0 40 GFAB Cc1ccc(NC(=O)c2ccc(N(C)C)c(F)c2)cc1C(=O)N1CCOCC1 581919949 LLTCPFPHEPQCIW-UHFFFAOYSA-N 385.439 2.925 0 40 GFAB COc1ccc(CN2C[C@H]3CC[C@@]4(N=C(c5ccccc5)NC4=O)[C@H]3C2)cc1 96261699 UVDKEBGQYZCOSY-QMHWCDLVSA-N 375.472 2.852 0 40 GFAB CC(C)n1c([C@H]2CCCN(C(=O)COCc3ncnn3C)C2)nc2ccccc21 585083023 ITBLBCNRRNYRIQ-INIZCTEOSA-N 396.495 2.669 0 40 GFAB Cc1ccc(C(=O)N2CCC(Cc3cncc(-c4nccn4C)n3)CC2)cn1 257327978 XDQNIERVIGRLAT-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB Cc1noc(C)c1-c1cnc(CC[C@H]2CCCN2C(=O)c2cnn(C)c2)cn1 257330618 XPCVASXHAHDWSE-QGZVFWFLSA-N 380.452 2.719 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCc2nc3ccccc3[nH]2)[C@@H]1c1ccc(OC)cc1 257236972 HEQPWDGIIUHUOY-IERDGZPVSA-N 392.459 2.797 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 257241065 HWLDWGUERDLXBN-AWEZNQCLSA-N 382.493 2.970 0 40 GFAB CC[C@H](CNC(=O)N1CCC(=O)N(C)CC1)Oc1ccccc1C(F)(F)F 664362691 AYBXYACYWJOMIH-CYBMUJFWSA-N 387.402 2.737 0 40 GFAB Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 671446733 YMBAGLLOKQYUDS-WIYYLYMNSA-N 391.475 2.658 0 40 GFAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCC[C@H]4C(N)=O)c(C)c3cc12 35686238 ULHYQNKZPPXBOL-KRWDZBQOSA-N 396.443 2.873 0 40 GFAB biogenic COc1ccccc1[C@@H]1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)C1 606336124 FQHWJQKEKVRFAK-OAHLLOKOSA-N 377.444 2.765 0 40 GFAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 575406815 UTYYEWGTQHCIJL-INIZCTEOSA-N 382.455 2.850 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](O)C2)C3)cc1F 585103018 BHGBGFTZRMXRGX-MOPGFXCFSA-N 390.499 2.602 0 40 GFAB CCCN1C[C@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 12117073 WJKAUCJLKDAMBH-QUCCMNQESA-N 382.508 2.905 0 40 GFAB O=C(CN1C(=O)N2CCCN=C2c2ccccc21)N1CCOc2ccccc21 12142807 GOZBSMKXNRKAGP-UHFFFAOYSA-N 376.416 2.505 0 40 GFAB COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 12292251 GAWRQWNBTDLIEK-IBGZPJMESA-N 399.487 2.874 0 40 GFAB C/C(=C\c1ccccc1)CN1CC[C@@H](c2cc(O)nc(N3CCOCC3)n2)C1 12365922 SXFXWQJKJNUXOK-XEYRCQSKSA-N 380.492 2.912 0 40 GFAB Cc1ccccc1O[C@H](C)C(=O)NCCNC(=O)[C@@H](C)Oc1ccccc1C 12406164 AGPDYEXJSRJQPI-QZTJIDSGSA-N 384.476 2.771 0 40 GFAB Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCn2cncn2)cc1 13494804 IYSZDQUYRABFPT-GOSISDBHSA-N 378.480 2.992 0 40 GFAB NC(=O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 15145166 HPDDCJSNFAKVFP-ODCIPOBUSA-N 382.298 2.924 0 40 GFAB COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19018247 HITAPCOATBGGRD-IBGZPJMESA-N 394.475 2.757 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 19463155 PFQJHOUPPAJVIR-ZACQAIPSSA-N 394.523 2.839 0 40 GFAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccnn3C)CC2)C1 19712769 JQGIFWKVSASDNJ-ICSRJNTNSA-N 382.508 2.925 0 40 GFAB O=C1N[C@@H](c2ccccc2F)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 169680925 JKHHWXQVBXGWHG-ZQIUZPCESA-N 382.313 2.930 0 40 GFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4noc5c4CCCC5)C3)cc2n1 100138042 DWXDAQJNJWIPFN-CYBMUJFWSA-N 381.436 2.630 0 40 GFAB COCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(N)=O)C1 19592763 DNCDILZRHWVTMN-HSZRJFAPSA-N 396.487 2.645 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 6140170 SMETWOBQTVYIRE-UHFFFAOYSA-N 398.488 2.802 0 40 GFAB CN(C)c1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)cc1 1888866536 HBMMXWUKBIEXKW-ROUUACIJSA-N 377.492 2.628 0 40 GFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)nn1 1888879690 ZXUUVCGEHVVYGV-XYPWUTKMSA-N 396.900 2.635 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238821307 CSANRUWWUMXBSZ-LSDHHAIUSA-N 391.399 2.920 0 40 GFAB Cc1csc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037989215 ZQNCLJFAAFPQDZ-UHFFFAOYSA-N 375.469 2.989 0 40 GFAB Cc1ncnc(OCC2CCN(CC(=O)N3CCc4ccccc43)CC2)c1C 1565520890 ZAHGWUSOGKIXLN-UHFFFAOYSA-N 380.492 2.774 0 40 GFAB CC1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)CC1 2720460 CLNJYGJBRKZPSC-UHFFFAOYSA-N 375.450 2.858 0 40 GFAB Cc1ccccc1NC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 17135916 ZIWXQQPHSSCNDY-HXUWFJFHSA-N 381.476 2.513 0 40 GFAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccccc3OC)ccc21 22732787 JOKFEPKEFXGOFU-UHFFFAOYSA-N 381.476 2.765 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775966514 IXDVRVGJJHFUFG-AWEZNQCLSA-N 388.420 2.613 0 40 GFAB COc1ccc(-c2cnc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)o2)cc1 206588941 JBIJZBYAAWCITA-UHFFFAOYSA-N 387.417 2.974 0 40 GFAB CCn1ccc2ccn(CCNC(=O)c3cc(-c4cccs4)on3)c(=O)c21 575617611 PVSZPSWAZDFXHG-UHFFFAOYSA-N 382.445 2.969 0 40 GFAB Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)cc1 19135654 YCHAUCWKSIGHSZ-FUHWJXTLSA-N 377.492 2.818 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2nn(CCN)c3ncccc23)C1 19558960 IPADJSMQJDVYNT-CYBMUJFWSA-N 399.882 2.682 0 40 GFAB O=C(Cn1nc2ccccn2c1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 40050937 BPORXPHYRVPIIA-UHFFFAOYSA-N 384.399 2.678 0 40 GFAB Cn1c(=O)c2c(=S)[nH]c(-c3ccccc3)nc2n(Cc2ccccc2)c1=O 102309759 VOWVLONRGYPGQJ-UHFFFAOYSA-N 376.441 2.868 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 102636510 QAKCYTHMXASIBA-GASCZTMLSA-N 384.432 2.842 0 40 GFAB COc1cccc(CN(C)C(=O)CCc2nc3ccccc3oc2=O)c1OC 32964135 AINSJXDMAMNYKI-UHFFFAOYSA-N 382.416 2.796 0 40 GFAB Cc1ccc2c(c1)cc(CN(C[C@@H]1CCCO1)C(=O)C(F)(F)F)c1nnnn12 1376954 SBQLYKGOMXLGJW-AWEZNQCLSA-N 393.369 2.656 0 40 GFAB COCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2n2nnnc12 1377001 SUTXTJXNUGEEDM-UHFFFAOYSA-N 381.461 2.823 0 40 GFAB O=C(NC(Cc1c[nH]c2ccccc12)(C(=O)O)C(=O)O)OCc1ccccc1 1570969 NHDATNLTXGUELU-UHFFFAOYSA-N 382.372 2.545 0 40 GFAB COC(=O)CN(Cc1csc(CNC(=O)c2ccccc2)n1)C1CCCC1 79110789 NEJFJTLPFVPWDX-UHFFFAOYSA-N 387.505 2.991 0 40 GFAB C[C@H](O)[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938079 XTMIDCQCTISXHT-KOWFMYAASA-N 387.002 2.730 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c4c(cccc24)C(=O)N3)cc1 956951 YKVUMVDUIJXZSZ-UHFFFAOYSA-N 395.440 2.842 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(CN2CCCC2)c1 1019444 SLRNTUZAHJZDTR-GOSISDBHSA-N 389.521 2.647 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)c(OC)c1 7881538 QSMQQSXEDNPVBD-INIZCTEOSA-N 397.427 2.791 0 40 GFAB O=C1C(=O)N(CN2CCC[C@H]2c2cccs2)C(=O)N1Cc1cccs1 23805044 GYVGNLSRKNRNDH-ZDUSSCGKSA-N 375.475 2.895 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 8037051 XVHLOUZJEBNKET-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1OC 8301070 UAYFTFPQGNEFJD-AWEZNQCLSA-N 392.477 2.626 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)no1 24656169 PPPUFGVVBZCXNI-UHFFFAOYSA-N 391.474 2.818 0 40 GFAB Cc1cc2cc(CN(C[C@H]3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c2cc1C 8582612 AMFRTVINHBMZRK-GOSISDBHSA-N 392.459 2.756 0 40 GFAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NCCc1nc4ccccc4n1C)(C3)C2 100771137 SQWKHVYVCMJTKR-PQJGELLGSA-N 394.519 2.707 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@H]1Cc3ccccc3C(=O)O1)O[C@@H](C)C2 9054158 FPMMVHZGIGGETH-RNODOKPDSA-N 381.428 2.807 0 40 GFAB O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccc2c(c1)OCO2 3249679 JXZYGOQUFQGFPA-UHFFFAOYSA-N 394.177 2.679 0 40 GFAB O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1sccc1C1CC1 108366836 YUOHLUFIVZDSMG-ROUUACIJSA-N 395.528 2.954 0 40 GFAB O=C(COC(=O)Cn1nnc2ccccc21)Nc1cccc(Cl)c1Cl 3244205 NHVQZZLMHSFQBX-UHFFFAOYSA-N 379.203 2.920 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCS(C)(=O)=O)CC2 58013848 RVDCPZWPPJFNTM-GOSISDBHSA-N 381.519 2.757 0 40 GFAB COc1ccc(N(C)C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1OC 58014381 ZYMXRVLDKLRLHD-KRWDZBQOSA-N 382.460 2.758 0 40 GFAB Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cccc(S(N)(=O)=O)c3)cc2)n1 95469139 DZTVTTHWCRSGOC-INIZCTEOSA-N 384.505 2.987 0 40 GFAB Cc1c(NC(=O)c2cc(=O)c3ccccc3o2)c(=O)n(-c2ccccc2)n1C 3326850 LTEIMMBTMZYSRW-UHFFFAOYSA-N 375.384 2.843 0 40 GFAB CC1(C)Cc2ccc(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c(O)c2O1 58216745 UGBJQAAHYQNAIR-UHFFFAOYSA-N 395.459 2.992 0 40 GFAB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 20495074 PQSBOYQJCYHKNN-SFHVURJKSA-N 394.468 2.868 0 40 GFAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102319134 NAYFKERATFMCGJ-SHTIJGAHSA-N 388.489 2.823 0 40 GFAB O=C(CCc1nc(-c2ccccn2)no1)N1CCCN(Cc2cccs2)CC1 28037495 ALWPXIJKJPGOKF-UHFFFAOYSA-N 397.504 2.860 0 40 GFAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)NC[C@@H]1CCCO1 10587944 VIEXKMGTIAVNCI-KRWDZBQOSA-N 387.407 2.857 0 40 GFAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 102329997 NGEGGVYNURDQQT-MUGJNUQGSA-N 389.411 2.677 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C 28606940 PVZUZYQZUKCBDE-UHFFFAOYSA-N 397.456 2.841 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1C 3433712 CQODESADKIRZHD-UHFFFAOYSA-N 387.388 2.619 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)C1 57477129 HXTFIVRJDYMZOL-CYBMUJFWSA-N 387.436 2.509 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(C3CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408718 MIPQCOABFLNVGW-VQTJNVASSA-N 390.549 2.957 0 40 GFAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 3500711 CJBRUDDFMPWART-CYBMUJFWSA-N 397.460 2.993 0 40 GFAB CC(C)CCNC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 3503391 OCOOJOIBQYHBCQ-UHFFFAOYSA-N 376.240 2.604 0 40 GFAB COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(OC)c1OC 12986570 BWFGBCCYGJJRSR-ZDUSSCGKSA-N 387.432 2.904 0 40 GFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 13000127 HHMJTYYMTAOTEQ-CYBMUJFWSA-N 388.427 2.695 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(F)c(F)c1)CC(O)=N2 71282849 AAKTTWBIVJEDMV-NWDGAFQWSA-N 381.404 2.953 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 13576165 KWCQCDPBDCLGRG-UHFFFAOYSA-N 384.457 2.860 0 40 GFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2)CC1 4121431 WZXZEPJWNBYPEX-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB O=C(NCc1ccccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 13628941 ATDKRWXYQGLGHE-BMQTXXJKSA-N 398.846 2.531 0 40 GFAB CC(C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 6107805 OHVIOOFINUVDNV-UHFFFAOYSA-N 383.400 2.695 0 40 GFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 5170349 ROXMXKWHEFBZCD-SFHVURJKSA-N 398.390 2.628 0 40 GFAB O=C1CN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)c2cccc(F)c2N1 96013509 CVSKSCHOWGZFGI-UHFFFAOYSA-N 382.800 2.561 0 40 GFAB COc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)N1CCCCC1 5578710 GLTSGIHWZJKEQV-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N(C)C 20024861 QXJJNVRXOTVEGX-QGZVFWFLSA-N 388.489 2.753 0 40 GFAB Cc1cc(C)n2nc(SCC(=O)NCCc3c[nH]c4ccccc34)nc2n1 7321769 XKVKULPZAUFLBY-UHFFFAOYSA-N 380.477 2.673 0 40 GFAB Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1 9585168 TXGMTFMSGLTALD-UHFFFAOYSA-N 399.925 2.560 0 40 GFAB C[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 7830637 PLDXKGIPJOQIGO-AWEZNQCLSA-N 397.500 2.751 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1 8014672 DMLBXTWZSAAWCO-ZIAGYGMSSA-N 379.416 2.706 0 40 GFAB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-n2cccn2)c(F)c1 95957376 GGYNQHOZNXPITN-QGZVFWFLSA-N 390.484 2.689 0 40 GFAB COC(=O)c1ccc(OC(C)C)c(NC(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1 72313741 DNWBCBCXGIKREX-AWEZNQCLSA-N 387.440 2.790 0 40 GFAB O=C(Cn1nc(Br)nc1Br)N(C1CCCC1)C1CC1 72311130 RIZCOQFDSRKITB-UHFFFAOYSA-N 392.095 2.737 0 40 GFAB NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 84497860 RSDOVFNBZMFDLY-UHFFFAOYSA-N 389.216 2.591 0 40 GFAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(C)nn(C)c1Cl 89942266 NCFFNAQOJCVOTF-SNVBAGLBSA-N 379.910 2.513 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1OC 33614337 ZQUSVJMFJZSAQE-CQSZACIVSA-N 392.477 2.626 0 40 GFAB COc1ccc(-c2nc(NC(=O)Cc3noc4ccccc34)n[nH]2)c(OC)c1 502408327 CKPOLSDLAPDJBL-UHFFFAOYSA-N 379.376 2.811 0 40 GFAB Cc1oc2c(c1C(=O)N1CCC(c3nnc4n3CCN(C)C4)CC1)CCCC2 72372073 ABHUUWUNASJQNO-UHFFFAOYSA-N 383.496 2.524 0 40 GFAB COC(=O)CNS(=O)(=O)c1cccc(NCc2ccc3ccccc3c2)c1 568563799 FLRQYTBPPUWRCZ-UHFFFAOYSA-N 384.457 2.903 0 40 GFAB O=C(Cn1cc(-c2ccccc2)nn1)N1CCNC[C@H]1c1ccccc1Cl 565417619 GGLKNUNOJOAMKS-IBGZPJMESA-N 381.867 2.772 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220119603 XNPSJLJDVQQWGH-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB COCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224304233 KUUKYAPZGWCWKW-UHFFFAOYSA-N 376.478 2.505 0 40 GFAB CSc1cccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)c1 220071200 WLEIVLKRMHPADN-UHFFFAOYSA-N 392.546 2.924 0 40 GFAB COC(=O)c1cc2cc(NC(=O)c3cc(N4CCOCC4)on3)ccc2s1 224082161 TVECDRGEIVKNBE-UHFFFAOYSA-N 387.417 2.765 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@]12CCCO2 257254721 KEJKRIYJPSONIX-YLJYHZDGSA-N 387.505 2.937 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NC[C@H](OC)c1ccc(Cl)s1 253402729 OPJLYJQYBASKRU-ZDUSSCGKSA-N 382.869 2.530 0 40 GFAB CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257336976 YQWIDXFEGLVVBC-GPMSIDNRSA-N 387.871 2.568 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCSCC1)Nc1ccc2c(c1)OCO2 253400650 LMWXHQVJXFCMNA-CQSZACIVSA-N 375.450 2.920 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3cncnc3)CC2)n1 257308925 TYTJNTCOBGAJPB-UHFFFAOYSA-N 378.436 2.867 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257221498 DPHQRHAWLMZBGA-INIZCTEOSA-N 398.394 2.973 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cnn(C)c3)CC2)ncn1 257248546 JEDAARIQDBVECS-INIZCTEOSA-N 394.479 2.967 0 40 GFAB COc1cc(Cl)c(OC)c2c(=N[C@H]3CCN(C)[C@H](C)C3)c(C(=O)O)c[nH]c12 649389390 BFTWOFPZCWPMOE-MNOVXSKESA-N 393.871 2.920 0 40 GFAB O=C([C@H]1CCc2ccccc2O1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414867 MNFFHZWQIJAVKS-SJLPKXTDSA-N 391.514 2.830 0 40 GFAB O=C(CO[C@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2)N1CCCC1 575405729 ZKSDHXMMGLHDMR-MRXNPFEDSA-N 399.516 2.507 0 40 GFAB C[C@]1(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC(c2ccccc2)=NO1 12203441 WVPYYDOEYCRHSV-JOCHJYFZSA-N 393.443 2.681 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)Cc3ccc(OC)cc3)cc2n1 12276516 ORZMBXVVZPKUPU-GOSISDBHSA-N 380.448 2.912 0 40 GFAB COc1cccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 13646808 BCAMFQHSVKLHDS-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 19020318 XLAOIEIMFMGGEP-DYESRHJHSA-N 395.459 2.582 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(C)cc2)N2CCCN32)cc1 19169377 IVURGWXIBVBMFH-AABGKKOBSA-N 377.444 2.539 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 19237025 UVNKWBCKIUPKEV-MSQSPTIYSA-N 396.418 2.516 0 40 GFAB O=C(CCc1ccccc1F)N1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19348599 SRRVNHCZPOEDLH-INIZCTEOSA-N 392.434 2.920 0 40 GFAB CCOc1ccccc1-c1nnc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)s1 19520228 ZQGFSUWKNWAZEE-CHWSQXEVSA-N 376.482 2.652 0 40 GFAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)Cn3nc(C)cc3C)CC2)c1 19749700 GSUHINJFPWSAOW-IBGZPJMESA-N 398.507 2.662 0 40 GFAB Cc1ncncc1C(=O)N1CCC[C@H](c2ccc(C(=O)NC3CCCC3)cn2)C1 19754511 ANGZBLZKSBWBLE-KRWDZBQOSA-N 393.491 2.872 0 40 GFAB COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)o2)C(=O)NC1=S 8169228 BTILRSXSUIQPOI-WYMLVPIESA-N 397.456 2.720 0 40 GFAB COC(=O)c1cc(NC(C)=O)ccc1C(=O)c1ccc(N(C)C)cc1OC(C)=O 2387106 JJFYFDDURYGGKK-UHFFFAOYSA-N 398.415 2.654 0 40 GFAB in-vitro Cn1ncc2c(N3CCCCC3)nc(N3CCN(c4ccc(F)cc4)CC3)nc21 4272782 VGUVDUDAAANNNM-UHFFFAOYSA-N 395.486 2.819 0 40 GFAB Cc1ccc2c(COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc(=O)oc2c1C 3458168 MJRJAURTSRAMPJ-MGPUTAFESA-N 387.457 2.907 0 40 GFAB COc1cccc(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)c1OC 1888866355 JVEDVCWQGQTIGK-UHFFFAOYSA-N 381.354 2.736 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(c4cc(C5CC5)ncn4)CC3)cnc2c1 1889205634 ULQINPBCIPHSAH-UHFFFAOYSA-N 391.475 2.989 0 40 GFAB CN(C1CN(c2ccccn2)C1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 1889211948 GSJNSHJNARDVKR-UHFFFAOYSA-N 385.411 2.751 0 40 GFAB O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)NCc1cccc(Cl)c1 11024011 FHMQUDGHAWHVTO-UHFFFAOYSA-N 377.853 2.759 0 40 GFAB Cn1cnc2c(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)ncnc21 1775969300 JROAGNQFKJTPLZ-UHFFFAOYSA-N 381.484 2.746 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)ccc1F 23107869 IUTCJHQRQBAHLL-INIZCTEOSA-N 384.498 2.547 0 40 GFAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(C)(=O)=O)cc1)n2C 101041962 VHWPVVYNBPUXIT-HNENSFHCSA-N 390.486 2.783 0 40 GFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 217674310 XSBJROYFOAIWAT-UHFFFAOYSA-N 392.843 2.983 0 40 GFAB O=C(C[C@@H]1CSc2nccc(=O)n21)OCc1cc(-c2ccccc2F)on1 38767419 NIGIHKVELJSFKM-GFCCVEGCSA-N 387.392 2.818 0 40 GFAB COc1ccc(CNC(=O)c2cnn3c(-c4ccncc4)ccnc23)cc1OC 49002953 BPLXRLVTYQLOHW-UHFFFAOYSA-N 389.415 2.739 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4ccn(C)n4)C3)CC2=O)cc1C 575615272 CEBNYFMIPIOGQP-MSOLQXFVSA-N 380.492 2.796 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)cc1C 575612609 LNNOCILOKXGYQF-HNNXBMFYSA-N 395.456 2.555 0 40 GFAB COc1c2c(cc3c1C(=O)Cc1ccc4c(c1CN(C)CC3)OCO4)OCO2 31841147 SWBXJEKOHMOEFV-UHFFFAOYSA-N 383.400 2.566 0 40 GFAB biogenic COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]23)c1 101310628 XCKAHEWRQDQYRC-APWZRJJASA-N 380.400 2.613 0 40 GFAB O=C1CCc2ccc(OCc3noc(C(=O)NCc4ccc(F)cc4)n3)cc2N1 20738713 ZBEUCKWAPVQFSR-UHFFFAOYSA-N 396.378 2.602 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 32306338 YPSQCQSDWPGWLK-QGZVFWFLSA-N 397.519 2.507 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCCCOc1ccccc1F 32802355 JKHKGZZUEQIWHH-UHFFFAOYSA-N 390.440 2.734 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1nc(N2CCCCC2)ncc1Cl 32937188 IGGXQFDXVCVDDL-DZGCQCFKSA-N 394.903 2.972 0 40 GFAB Cc1ccc(C2=CCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)CC2)cc1 12396204 JMLBACYVAVNCTJ-UHFFFAOYSA-N 389.455 2.704 0 40 GFAB CC(=O)c1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 12389864 VWZFXWBQLYMRDJ-UHFFFAOYSA-N 386.209 2.880 0 40 GFAB Cc1cc2cc(CN(CCO)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C 878839 WAFUHTCDXFUKBJ-UHFFFAOYSA-N 385.489 2.607 0 40 GFAB Cn1c(SCc2cccnc2)nnc1[C@@H]1CCCN(C(=O)N2CCCC2)C1 4932419 HIBMUHXQCQDXCX-MRXNPFEDSA-N 386.525 2.898 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)CSc3ccc4c(c3)OCCO4)C2)n1 54660570 IDKIXSWLDFAIMY-ZDUSSCGKSA-N 375.450 2.648 0 40 GFAB Cc1nc(NC(=O)c2ccc3c(c2)OCO3)ccc1I 6328828 ACLOLICRBMXVEG-UHFFFAOYSA-N 382.157 2.976 0 40 GFAB O=C(NCCc1cn2ccccc2n1)c1cccc(I)c1 12577921 ZGXNEQYWGOQGNY-UHFFFAOYSA-N 391.212 2.911 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 57823577 CLUOPZSUTPLYQJ-UHFFFAOYSA-N 385.445 2.998 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 57173399 ZBFMLIVMUMZNGP-SUMWQHHRSA-N 376.453 2.731 0 40 GFAB COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 95443816 RSTSYSYZBXXPLF-MJGOQNOKSA-N 391.493 2.581 0 40 GFAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(CC(F)F)CC1 58169281 BNMXMRUJKURJRC-KRWDZBQOSA-N 381.467 2.549 0 40 GFAB CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)cc1 12607875 YZOOGKYQOQHTDU-FQEVSTJZSA-N 378.476 2.599 0 40 GFAB Cc1cc(=O)c(C(=O)N2CCO[C@H](c3ccccc3)C2)nn1-c1ccccc1 27908563 YWRVJHLUOAYSCC-FQEVSTJZSA-N 375.428 2.755 0 40 GFAB O=C(c1ccccc1F)N1CC[C@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745485 ROLLPIXTKSVNCG-LBPRGKRZSA-N 380.379 2.719 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCc2ccc(Cl)cc21 58495779 JVYCRYXWESGBKN-UHFFFAOYSA-N 381.837 2.727 0 40 GFAB COc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1OC 3315400 BIGASNIRXKOBDO-UHFFFAOYSA-N 377.418 2.910 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(CCC(C)C)n2)c1 60102838 RDQIDGCIHDABBI-UHFFFAOYSA-N 397.566 2.972 0 40 GFAB O=C(NCCc1cc(F)cc(F)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 60317705 ZWMGJHDUBAYDGS-GFCCVEGCSA-N 380.341 2.955 0 40 GFAB O=C1CN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)c2ccccc2N1 12813958 YUPQKBVIFMUVRI-UHFFFAOYSA-N 382.401 2.516 0 40 GFAB CCc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1 3428476 YMZIHWZLUOACTL-UHFFFAOYSA-N 399.453 2.730 0 40 GFAB CCc1ccc2c(COC(=O)Cn3cnc4ccccc4c3=O)cc(=O)oc2c1 3430606 GRUWKICZLRQDSY-UHFFFAOYSA-N 390.395 2.809 0 40 GFAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 3557435 ATNOWKHZXUTJKM-VQHVLOKHSA-N 388.489 2.751 0 40 GFAB CC(=O)NCc1ccc(C(=O)[C@@H](C)Sc2nnnn2C2CCCC2)s1 9114750 XLESHTDBZMVFSX-SNVBAGLBSA-N 379.511 2.849 0 40 GFAB COc1cc([C@@H](O)c2cc3c(cc2C(OC)OC)OCO3)cc(OC)c1OC 4114326 VVCFQBQKMQDNDJ-GOSISDBHSA-N 392.404 2.814 0 40 GFAB C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nncn1C 96009399 HORYXKCIPPMZKH-ZFWWWQNUSA-N 386.504 2.631 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O 5219766 GZJPCTSJDTXTFN-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3Cl)C2=O)cc1 4477037 UTWNSJMISGXDGL-FQEVSTJZSA-N 385.851 2.732 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(Cl)cc1Cl 5341673 MNFORKWQJCJCGE-UHFFFAOYSA-N 384.263 2.864 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6475867 XLCDHEDXRRGPDE-UHFFFAOYSA-N 381.417 2.728 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)NC(=O)Nc2ccc(C)cc2C)cc1 6580498 IFCGCJKOVGBTQV-UHFFFAOYSA-N 398.463 2.531 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 6767114 RXSQLLMIDAGLQE-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CSC[C@H]1C(=O)NCC1CC1 95393381 RQCDZJJDBBWIKA-APWZRJJASA-N 388.533 2.933 0 40 GFAB CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1nnc(-c2ccc(Cl)cc2)n1 15190156 ZVNCPXQIJBIDLJ-HNNXBMFYSA-N 399.838 2.990 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 4954022 RDVYISTYHJKKNA-SQFNAUOLSA-N 396.443 2.852 0 40 GFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2c(C)cccc2C)c(=O)c1=O 67320305 JETHHCBBKDQOBY-UHFFFAOYSA-N 381.407 2.702 0 40 GFAB C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc2ccccc12 15814852 GTNFUQNQTZWAKG-AWEZNQCLSA-N 381.457 2.515 0 40 GFAB Nc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)n1 19926863 ZBFJABFMIMNNGW-QGZVFWFLSA-N 384.436 2.641 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2s1 16674447 LUYRIRCGOQDBEZ-UHFFFAOYSA-N 381.457 2.802 0 40 GFAB NC(=O)c1cc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)ccc1F 69205229 BTKBMYCVXSXJLT-AWEZNQCLSA-N 385.317 2.799 0 40 GFAB Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(CC1CC1)C2 69929656 KLGZNFXZWAADGI-UHFFFAOYSA-N 393.413 2.636 0 40 GFAB CC(C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)NC1=S 8742694 OWICDEKJFINHEP-RDTXWAMCSA-N 377.897 2.503 0 40 GFAB Cc1cc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)no1 8727380 BVHMWVKWCJPKEZ-UHFFFAOYSA-N 393.428 2.808 0 40 GFAB CCOc1cc2c(cc1CNS(=O)(=O)c1cccc(N(C)C)c1)O[C@H](C)C2 97166188 HKZHFRUGDUPHQT-CQSZACIVSA-N 390.505 2.953 0 40 GFAB C[C@H](NC(=O)CCn1cnc2sccc2c1=O)[C@@H](O)c1ccc(Cl)cc1 95972131 PFQLSBMXIJPTPH-MEDUHNTESA-N 391.880 2.740 0 40 GFAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C)c1C 67323454 FOSWCNRUZMPPAU-UHFFFAOYSA-N 379.420 2.795 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c(Cl)c1 89616680 LFHFBRWVAUJPIK-AWEZNQCLSA-N 381.885 2.808 0 40 GFAB Cc1ccnc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1 27646408 OSKQNOSCCSGGSO-JOCHJYFZSA-N 388.427 2.949 0 40 GFAB O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CC[C@@]21CCN(CC2CC2)C1 306130466 JHHDIBHJEJQBPR-XMMPIXPASA-N 390.531 2.559 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O 408590168 GLKLOUGBAZEFTI-KPKJPENVSA-N 391.177 2.686 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 61341504 ISPOVUZASDRSOQ-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)C1=O 409236960 HEYKAQZRKUJWJI-MDWZMJQESA-N 396.827 2.593 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 408906935 KRPIFXBVXKULBW-CQSZACIVSA-N 392.477 2.887 0 40 GFAB CCOc1ccccc1CN1CCN(C(=O)c2cc(C)nc(NC)n2)[C@H](C)C1 510109053 IQTLXXDMATZZAA-MRXNPFEDSA-N 383.496 2.572 0 40 GFAB CCNC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc(O)c(OCC)c1)CCO2 306134134 NEBFHRAJPYSJBH-TZIWHRDSSA-N 391.512 2.624 0 40 GFAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)[C@H]2CCCO2)cn1 72389843 LKVBSFPBTGCMAJ-LJQANCHMSA-N 377.448 2.611 0 40 GFAB CCn1c(CCNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)nc2ccccc21 78500696 AETYMJLVJLYQDI-CYBMUJFWSA-N 378.432 2.748 0 40 GFAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN([C@@H](C)C(N)=O)CC3)c12 72336994 RIDYQOXCJAYZSK-HNNXBMFYSA-N 385.512 2.880 0 40 GFAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCCNc1ncccn1 1548348894 VHGQWHVPXPFJGL-UHFFFAOYSA-N 393.491 2.754 0 40 GFAB CCN1CCN(C(=O)COC)[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72351449 DBYDBZQZHHLQMT-OAQYLSRUSA-N 396.487 2.610 0 40 GFAB CSc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219437781 GITAGHBIJBUVJJ-UHFFFAOYSA-N 390.486 2.972 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC 32440289 OWEGSSQHWALBDA-LLVKDONJSA-N 398.868 2.663 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)c3cc(=O)c4ccccc4o3)n2)cn1 225815899 YMJPKJCJSAWJQO-UHFFFAOYSA-N 392.371 2.567 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C)c1 223676758 RKFMJKHMQFIDFU-UHFFFAOYSA-N 379.434 2.990 0 40 GFAB Cc1ccnc([C@@H]2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)c1 573576282 JUJYBEOGCADPKQ-OAHLLOKOSA-N 382.855 2.713 0 40 GFAB Cc1cccc2sc(N3CC(OC(=O)c4cccc(-n5cnnn5)c4)C3)nc12 77101432 RXGBXILBWPHCGG-UHFFFAOYSA-N 392.444 2.626 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222484113 OGAPCUJMMHZJAN-INIZCTEOSA-N 390.505 2.897 0 40 GFAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96071540 HVTCIIFHAMOICU-MRXNPFEDSA-N 390.427 2.736 0 40 GFAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 244199543 VNVSYELZFDYNHS-LBPRGKRZSA-N 388.917 2.664 0 40 GFAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc1C 257245986 IRYZYHQMRFGBRN-INIZCTEOSA-N 384.455 2.541 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1Cl 257330183 XNFXWKOKGDZWKM-APWZRJJASA-N 377.916 2.804 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@@H]1CCc1cnc(-c2c(C)noc2C)cn1 257316814 VHCYUTSKSBDFEU-MRXNPFEDSA-N 396.451 2.606 0 40 GFAB NC(=O)CN1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 257334812 YHLLEQFPXGZUKL-UHFFFAOYSA-N 384.455 2.603 0 40 GFAB CCCC[C@@H](CC)CNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1 260846318 LUFVQYMICXPBIX-CRAIPNDOSA-N 382.526 2.855 0 40 GFAB O=C(CCc1ccc(C(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1 633482747 QAEZYGJTSCSJEX-UHFFFAOYSA-N 395.450 2.590 0 40 GFAB O=C(c1cnnn1C1CCNCC1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 638470264 WANBXDARYPXVOU-AWEZNQCLSA-N 375.423 2.501 0 40 GFAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)s1 585291191 LLSJMVGDDZZRIV-NFAHFFEMSA-N 395.492 3.096 0 40 GFAB CCOc1ccc(C(=O)N2CCc3ncc(-c4c(C)cnn4C)n3CC2)cc1 585111620 YKFFFDHOERXGGE-UHFFFAOYSA-N 379.464 2.689 0 40 GFAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)C[C@@H](C(=O)O)C1 118329733 MJAGAIZKHLVFJM-CABCVRRESA-N 378.425 2.623 0 40 GFAB CCn1cc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)n1 1615129277 LQPWIIAYGJBLGQ-NRFANRHFSA-N 386.471 2.749 0 40 GFAB Cc1nn(CC(=O)N(C)C[C@H](C)c2ccccc2)c(=O)c2cc3occc3n12 12115441 POWNCHHNKFVSAA-AWEZNQCLSA-N 378.432 2.813 0 40 GFAB COc1cccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4OC)CC3)n2)c1 13548410 FAWZOTSGPWYCDD-UHFFFAOYSA-N 392.459 2.781 0 40 GFAB CCc1noc(CC)c1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19521315 HILROKNNGKKZHC-UHFFFAOYSA-N 383.496 2.597 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccnn3C)cc2N1 19574819 YCVIDLNSAGCXRI-SCDSUCTJSA-N 382.390 2.901 0 40 GFAB Cc1nn(C)cc1C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19583617 LYDQOATVWKFEFU-UHFFFAOYSA-N 393.476 2.541 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(c3ccc4c(N)n[nH]c4n3)CC2)cc1F 19745133 ILAOISZPRFLFAS-UHFFFAOYSA-N 389.456 2.556 0 40 GFAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 19934245 ZXYUVXZDJQTHJF-UHFFFAOYSA-N 386.517 2.853 0 40 GFAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CN(C)C)CCOCCO2 643573220 WECUXSUEQRCIAF-UHFFFAOYSA-N 382.504 2.885 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cccc(Cl)c3)ccc21 244422927 YUQKKERWAKXTMO-UHFFFAOYSA-N 394.880 2.606 0 40 GFAB CCn1nc(C)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1C 1138642566 GCKRWSQQPQGQLW-UHFFFAOYSA-N 382.508 2.918 0 40 GFAB COC(=O)c1ccc(C(=O)NCC2CCN(C3CCSCC3)CC2)cc1 245171661 XOTXBXMXIUOWTB-UHFFFAOYSA-N 376.522 2.811 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccccc2)C1=O)c1ccc(F)cc1 2335359 TYCRHQFEBLABIY-MRXNPFEDSA-N 381.285 2.775 0 40 GFAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccc3c(c2)OCO3)co1 4251339 JAOZJKLWENJEGL-UHFFFAOYSA-N 386.385 2.614 0 40 GFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCCc3ccccc3)cc21 5442197 NMVIHEZAOSEBGW-UHFFFAOYSA-N 393.487 2.919 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1nc(-c2ccccc2)oc1=O 40040418 PJTSPTPGPNROLP-UHFFFAOYSA-N 389.415 2.945 0 40 GFAB C[C@@H]1CN(C(=O)C2CCN(C(=O)COc3ccccc3Cl)CC2)C[C@@H](C)O1 40090541 CZXVRHFVYYRYHL-HUUCEWRRSA-N 394.899 2.593 0 40 GFAB Cc1ccc(-c2nc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)cs2)cc1 30583763 KLGQVANLPPKBLJ-HNNXBMFYSA-N 393.534 2.662 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1Cl 31378752 BIGOVWGNZGJGIP-INIZCTEOSA-N 384.823 2.955 0 40 GFAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 31918837 FZPZAJAJKVFTPF-UHFFFAOYSA-N 389.477 2.784 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)O)C(C)C)cs2)cc1OC 32123908 JSPDSJKDVBNJCJ-INIZCTEOSA-N 378.450 2.595 0 40 GFAB biogenic CC1CCN(C[C@@H]2CCCN(C(=O)CNC(=O)c3cccc(F)c3)C2)CC1 101951047 DUNYRZMWWKLDDJ-KRWDZBQOSA-N 375.488 2.526 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c[nH]c12 102271572 JCJYBBYWIRMGQT-IYBDPMFKSA-N 396.443 2.631 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1OC 32789164 ZWQMWJNOESXGIW-INIZCTEOSA-N 380.448 2.695 0 40 GFAB Cc1c([C@@H](C)NC(=O)c2cnc3sccn3c2=O)cnn1-c1ccc(F)cc1 32818204 WBFGDHTUCUJZMX-LLVKDONJSA-N 397.435 2.880 0 40 GFAB CC(=O)c1ccccc1OCC[S@@](=O)CC(=O)N1c2ccccc2C[C@H]1C 32800945 KTUNSHUKGWUZIS-RXAIFQJESA-N 385.485 2.995 0 40 GFAB NC(=O)NCCC(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 32914450 ASHPZOWDSURMAW-UHFFFAOYSA-N 385.464 2.599 0 40 GFAB CNC(=O)[C@H]1CCCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 33212926 ZYKBEHZZHWXWMH-OAHLLOKOSA-N 395.488 2.737 0 40 GFAB O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1F 22198106 UAMHYXVJXNYEKZ-UHFFFAOYSA-N 385.439 2.701 0 40 GFAB O=C(OCCCn1cnc2ccccc2c1=O)c1ccc(Br)o1 22468935 APVCSCOHAGTMOU-UHFFFAOYSA-N 377.194 2.999 0 40 GFAB COC(=O)[C@@](NNc1ccccc1C)(NC(=O)c1ccccc1F)C(F)(F)F 2050374 XUOWNBXOAUFNPM-KRWDZBQOSA-N 399.344 2.912 0 40 GFAB Cn1c(=O)c2c(nc(Oc3ccc(Cl)cc3)n2Cc2ccccc2)n(C)c1=O 2488341 PFVHZXODNDXMJA-UHFFFAOYSA-N 396.834 2.928 0 40 GFAB biogenic CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O 3015874 AKOAMVBYPPSQIT-UHFFFAOYSA-N 381.480 2.801 0 40 GFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCc2ccccc2C1 3244880 NREAGJGYJDDWQY-UHFFFAOYSA-N 378.453 2.933 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 3245836 NBHCKRDORPXPKN-UHFFFAOYSA-N 387.866 2.692 0 40 GFAB COc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC)cc3)n(C)n2)cc1 4424287 GHIOKASQLSPGFS-UHFFFAOYSA-N 380.404 2.942 0 40 GFAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 4496154 LTDIBOXBXMRSKF-UHFFFAOYSA-N 375.381 2.597 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 5037624 WWVZWKWNTGIISP-OAHLLOKOSA-N 384.407 2.923 0 40 GFAB CC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)nc1C 5298757 DKKMLXNOSINDMB-LLVKDONJSA-N 399.519 2.507 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 5536099 BRWMUYCYIGODEE-UHFFFAOYSA-N 396.804 2.512 0 40 GFAB COc1ccc(C)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O 6472978 AOOKXOKCZMPOGX-UHFFFAOYSA-N 384.404 2.687 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 6510268 OQUFXCCYQMMZSB-UHFFFAOYSA-N 384.841 2.518 0 40 GFAB COc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 6627864 DHBADNLLLUYJFB-UHFFFAOYSA-N 388.372 2.523 0 40 GFAB COc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)c1 6743347 PNFRVFPSWOBHCP-IBGZPJMESA-N 379.412 2.956 0 40 GFAB COc1ccc(OC)c(NC(=O)CSCc2cc(=O)n3cc(C)ccc3n2)c1 7145792 KJQXTFJMWXVHTC-UHFFFAOYSA-N 399.472 2.892 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O 8039789 RGZUECHTCAKYAQ-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB CCn1nnnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 8156690 IVCDWPNSOKMWMA-CYBMUJFWSA-N 379.873 2.660 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 8267306 YDKKWXFEOJJAHX-GFCCVEGCSA-N 383.853 2.931 0 40 GFAB COc1cc(NC(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)cc(OC)c1 8621809 NCUCJHCZEUMPKM-GFCCVEGCSA-N 387.465 2.878 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(=O)n(Cc2ccccc2)n1 9513785 NZMVJLPOBJFRDE-UHFFFAOYSA-N 388.427 2.671 0 40 GFAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 10542059 HGVVBWZTMYUKAZ-UHFFFAOYSA-N 382.265 2.576 0 40 GFAB O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 10785079 VETHWXUPWPTHRI-QGZVFWFLSA-N 390.530 2.876 0 40 GFAB CNC(=O)c1ccc(NC(=O)CNc2cc(OC)c(Cl)cc2OC)cc1 11079981 CQCNUUVCZRNWRL-UHFFFAOYSA-N 377.828 2.767 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)NCCNc1ccc(Nc2cccnc2)nn1 11796958 JYDBTISQDWXPEI-HNNXBMFYSA-N 378.436 2.611 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)n1 12006567 BHEXGJJWYUERMY-UHFFFAOYSA-N 392.375 2.642 0 40 GFAB COc1ccc(-c2nccc3ccn(CC(=O)N4CCCOCC4)c23)cc1OC 12135511 UQLJIBYDMWGULW-UHFFFAOYSA-N 395.459 2.969 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2cccc(F)c2)NC(=O)N3)cc1 12345814 VUBBCYGNFJWZRN-LJQANCHMSA-N 381.407 2.527 0 40 GFAB C/C=C/CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 12532239 AMOBLMLNWFAQIR-SNAWJCMRSA-N 390.896 2.804 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12580944 UYOFXHZEHBDSNE-OAHLLOKOSA-N 388.431 2.953 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN[C@H](C)CCc1ccccc1 12809545 VCFNHZKZVPPYCA-DNVCBOLYSA-N 375.538 2.970 0 40 GFAB O=C(NC1CCCCC1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13700770 XNFVZDBJWFDOJX-UHFFFAOYSA-N 395.467 2.549 0 40 GFAB Cc1ccc(C)c(N(CCCC(=O)NCc2cccnc2)S(C)(=O)=O)c1 14401992 CVGNCIBCSRDREB-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB O=C1N=C2SC(S)=NC(=S)N2NC12c1ccccc1-c1ccccc12 16958391 ILJUKLGZSMGNBL-UHFFFAOYSA-N 382.495 2.931 0 40 GFAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)c2ccc(C)cc2)C3)C1 19136225 HMWKMTNOEPRJLJ-APWZRJJASA-N 392.503 2.809 0 40 GFAB Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@@H]2CN2CCCCCC2)cc1 19288419 RKFCTDHBZWFBOS-OAQYLSRUSA-N 396.539 2.770 0 40 GFAB c1cncc(CN(CCN2CCOCC2)Cc2c[nH]nc2-c2cccs2)c1 19338640 RODMOLCCEJOEJO-UHFFFAOYSA-N 383.521 2.868 0 40 GFAB C[C@H]1CCCC[C@H]1N1CCN(Cc2ccnc(N3C[C@@H](C)O[C@H](C)C3)n2)CC1 19496160 OYHFXGNONNTNNM-QEUVDIPISA-N 387.572 2.787 0 40 GFAB CC(=O)Nc1ncc(S(=O)(=O)NCc2ccc3[nH]c(C)c(C)c3c2)s1 19576870 YYFPXAIBADYOGP-UHFFFAOYSA-N 378.479 2.678 0 40 GFAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)nn1 19660136 UHRXGNNHYINPLK-SFHVURJKSA-N 392.394 2.905 0 40 GFAB Cc1cccn2c(=O)c(C(=O)NCCc3cn(C)c4ccc(F)cc34)cnc12 19714670 HTYIKEKOEOIRKF-UHFFFAOYSA-N 378.407 2.606 0 40 GFAB COc1ccccc1CNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 20237479 WMVARUXHXKYYFZ-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)CC1 21463472 BKYZKKPBGFDDCT-HNNXBMFYSA-N 388.537 2.622 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)Nc1c2c(nn1-c1ccccc1)CCC2 22088447 GGPHAHYUHRZWOD-UHFFFAOYSA-N 385.427 2.710 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1F 23074726 MFACVBZFCLZGKP-UHFFFAOYSA-N 395.390 2.535 0 40 GFAB O=C(/C=C/c1nc2ccccc2o1)Nc1cccc(S(=O)(=O)NC2CC2)c1 26061850 BWOQMEVZUMQAQJ-ZHACJKMWSA-N 383.429 2.920 0 40 GFAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1OC[C@@H]1CCCO1 26238831 AVXHZLVVQXLAAH-INIZCTEOSA-N 380.400 2.609 0 40 GFAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCCO2 27602597 OMXCCQPMCNMUCV-FXAWDEMLSA-N 396.491 2.978 0 40 GFAB O=C(NCCCN1CCOCC1)c1ccc(COc2ccccc2Cl)o1 27974722 JPVFDHOXDWQOMA-UHFFFAOYSA-N 378.856 2.964 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 30230828 NXCGQKFWDTVOGM-LJQANCHMSA-N 391.464 2.898 0 40 GFAB CCCNS(=O)(=O)c1cc(-c2nn3cnnc3c3ccccc23)ccc1C 32581204 KHTKGINYOMJTHE-UHFFFAOYSA-N 381.461 2.941 0 40 GFAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(C(=O)N2CCCCC2)cc1 32788348 YUWOGGKKMHHUNK-UHFFFAOYSA-N 394.471 2.943 0 40 GFAB O=C(NCCNC(=O)c1ccco1)c1cccc(NC(=O)c2cccs2)c1 32908630 YHZZDJPLTPYDQN-UHFFFAOYSA-N 383.429 2.753 0 40 GFAB CCCCNC(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 33325494 IJPFQVXCEDEQMX-INIZCTEOSA-N 375.494 2.748 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 33431649 VLHGUGLVRLTOKI-IEBWSBKVSA-N 380.444 2.747 0 40 GFAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1nnc(C2CC2)s1 36358400 DQEUICNRILAFJT-UHFFFAOYSA-N 384.465 2.720 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)N(C)C3CCCCC3)N=C2O)cc1 36589757 RQBMEZCBMALFAU-GOSISDBHSA-N 387.480 2.891 0 40 GFAB Cc1cc(C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)c(C)o1 36700480 BRXISLKFXHUSMO-UHFFFAOYSA-N 377.404 2.810 0 40 GFAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cccnc4)CC3)n2)cc1 36837796 BDFWWMTWXZRLEF-INIZCTEOSA-N 377.448 2.959 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38729117 NAAIVVBNRDFEPH-QZTJIDSGSA-N 382.435 2.679 0 40 GFAB Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(Cc4ccccc4F)CC3)ccc21 39762729 NZJFYEUZXLLJHC-UHFFFAOYSA-N 396.466 2.867 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)cc1 40388996 ITVIHWIKPMIVTI-DZGCQCFKSA-N 395.463 2.522 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 42665761 OAHZZEJSQDYKIH-UHFFFAOYSA-N 395.380 2.790 0 40 GFAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCCN1CCCC1=O)C3 57134825 XEJGVTWJTSOGEU-UHFFFAOYSA-N 376.840 2.919 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1 57477850 UYJCYQZYFCDIGA-UHFFFAOYSA-N 395.390 2.783 0 40 GFAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)Nc2nc(CC)c(C)s2)C1 58393245 RLAXYVGSQWNIGK-HIFRSBDPSA-N 380.558 2.969 0 40 GFAB COc1ccc2c(c1)CCN2C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 60545338 QMOSJFNGCMGTGA-OAHLLOKOSA-N 382.464 2.588 0 40 GFAB O=C(C[C@H]1Sc2cc(C(=O)O)ccc2NC1=O)Nc1cccc(C(=O)O)c1 61718333 BAWAPIDRRRLBTO-CQSZACIVSA-N 386.385 2.525 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCCc2ncc(-c3ccccc3)[nH]2)c1 69508921 YZQBDBXYVBOXRN-UHFFFAOYSA-N 387.461 2.615 0 40 GFAB COCc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(C)=O)ncc3C2)cc1 72390852 MLSMZWMTDNICQD-HXUWFJFHSA-N 394.475 2.505 0 40 GFAB COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)C1 78557480 HPYABYHDBJKFSX-GFCCVEGCSA-N 398.472 2.688 0 40 GFAB Cc1[nH]c2ncnc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)c2c1C 95462350 LRINPANJQICNEN-UHFFFAOYSA-N 390.447 2.930 0 40 GFAB COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCCN(C(=O)NC(C)C)C2)cc1 95998900 ZPYUPFBQTYMVMT-OAHLLOKOSA-N 385.468 2.968 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(Oc2ccccn2)CC1 96024678 ZBBJLQSUFZHONH-OAHLLOKOSA-N 383.423 2.644 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3F)C2)Oc2ccccc21 96367573 FIJPGCQJYNICTJ-GOSISDBHSA-N 379.384 2.763 0 40 GFAB C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc2c(c1)OCO2 97231117 NCNLSKFGCUTTIO-KBPBESRZSA-N 391.468 2.955 0 40 GFAB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1cccc(Cl)c1Cl 100646813 HIJAFHPBJXZJSR-JTNKHINISA-N 384.215 2.673 0 40 GFAB COCCN1C[C@H](c2cc(O)n3nc(-c4cccc(C)c4)c(C)c3n2)CC1=O 100732735 VQPPDYYSOGVEOR-MRXNPFEDSA-N 380.448 2.681 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c(OC)c1 103532591 JMVNJQPOMSFTND-NVXWUHKLSA-N 386.791 2.650 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113967180 GNXKRZNAWIPVTO-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)CC1 219454823 JNLPUTNISASGMR-UHFFFAOYSA-N 395.459 2.881 0 40 GFAB CCCOc1ccccc1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 222615516 RXJPQJSYRMVAMZ-SFHVURJKSA-N 396.553 2.586 0 40 GFAB C[C@H](C(=O)NCCOc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896095 POBKUIJUXQDQPF-CQSZACIVSA-N 396.896 2.690 0 40 GFAB O=C(NCCSc1ncn[nH]1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 225904101 SVRJTQGUSPPBCE-AWEZNQCLSA-N 379.917 2.579 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 244471639 ZGUNHXQPXQWQEN-UHFFFAOYSA-N 395.868 2.703 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)o1 253596205 OJUWJIOYUHTATG-XCAIGLTISA-N 394.475 2.977 0 40 GFAB O=C(O)COc1cccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 262713108 CCHPYVUBOWYQDO-UHFFFAOYSA-N 397.353 2.843 0 40 GFAB Cc1nnc(N2CCN(CCF)CC2)c2ccc(C(=O)N3CCC(C)CC3)cc12 306137182 QNZNIVJVWNRASK-UHFFFAOYSA-N 399.514 2.902 0 40 GFAB CCOc1ccccc1CN1CCN(C(=O)c2cc(C)nc(NC)n2)[C@@H](C)C1 510109048 IQTLXXDMATZZAA-INIZCTEOSA-N 383.496 2.572 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 520351235 LYSMXLVEIFJYBM-DLBZAZTESA-N 380.414 2.716 0 40 GFAB CC[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2F)CC1)c1nc(C)cs1 553328317 MCRYGEVDXAIKFY-OAHLLOKOSA-N 390.484 2.507 0 40 GFAB O=C1CC[C@H](c2cccc(NC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)c2)N1 568608632 QGIIVCINPOAGTC-QZTJIDSGSA-N 378.432 2.565 0 40 GFAB Cc1cc(O[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nc(C)n1 575609517 MMUPSLGDTXBGKG-MRXNPFEDSA-N 384.436 2.575 0 40 GFAB C[C@H]1[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CO2)CC(=O)N1Cc1ccccc1 623994765 CKQXEBOLFNUYJU-NDXORKPFSA-N 393.487 2.617 0 40 GFAB O=C(NC[C@H]1CCCC12CC2)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 626421332 SXWASKSKLCXLQV-CABCVRRESA-N 392.525 2.822 0 40 GFAB COc1ncc(Br)cc1CNC(=O)Nc1ncn(C(C)(C)C)n1 626496832 UPBJKSNZOMYWCJ-UHFFFAOYSA-N 383.250 2.521 0 40 GFAB CC(C)c1n[nH]c(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)n1 652390840 NSFFHMDHOYTBKK-NSHDSACASA-N 379.258 2.873 0 40 GFAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)nc1 1775969247 GBVSVHDBQWEVCG-KRWDZBQOSA-N 375.494 2.882 0 40 GFAB O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 859508 XAXNWADSDHAIPN-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1C 905246 ZNRSXGJEWIAUSU-UHFFFAOYSA-N 397.460 2.785 0 40 GFAB COc1cccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)c1OC 1465274 NFSGAPAQXMOTTJ-KRWDZBQOSA-N 392.419 2.618 0 40 GFAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O 1910781 FHLZVXDVZNAEAQ-SFHVURJKSA-N 394.427 2.879 0 40 GFAB CCc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N)cc1 2687358 SDUOEODQRUOOFI-UHFFFAOYSA-N 378.436 2.622 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)=O)n2N)cc1 3406055 FZZAZZHPBOHCKA-UHFFFAOYSA-N 397.460 2.601 0 40 GFAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 4066265 YLWBQEWYOZWUHO-IBGZPJMESA-N 382.416 2.945 0 40 GFAB CC(=O)NC(Nc1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F 4177289 JDQXWRXWBMUNAS-UHFFFAOYSA-N 389.321 2.705 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 4352031 LMOWZXJUUJXXRS-UHFFFAOYSA-N 396.399 2.534 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1NC(C)=O 4742169 NEHHSAMDDWOZCT-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 5002450 IPEZBNXJRRTLON-OXQOHEQNSA-N 386.473 2.963 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1 5192955 VLJFOBPMZZGYEL-KRWDZBQOSA-N 396.447 2.971 0 40 GFAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2sccc2C(N)=O)c(C)s1 5768433 PXPNEUYDCYNOHM-UHFFFAOYSA-N 394.474 2.670 0 40 GFAB NC(=O)c1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc2c1CCCC2 5864089 SWDOMMFPCOSTPO-UHFFFAOYSA-N 396.472 2.847 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCCO3)cc1 7152537 CDTLACCBXFUUHP-UHFFFAOYSA-N 398.444 2.807 0 40 GFAB COc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 7236191 PEIZLPRATGMXCB-UHFFFAOYSA-N 390.509 2.944 0 40 GFAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1C(F)(F)F 7675911 OLKOHGNXZQYKRJ-UHFFFAOYSA-N 391.305 2.737 0 40 GFAB CCn1c(COC(=O)c2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 7735410 VWKNIWAEGYBEME-UHFFFAOYSA-N 393.490 2.725 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl 8091314 AJVUIYHRSYESCU-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 8750922 RVYLSFQXTJOINW-INIZCTEOSA-N 392.814 2.630 0 40 GFAB C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccccc1Cl 9184124 ZVULNDBOUFCSIV-LBPRGKRZSA-N 386.839 2.513 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2NC1=O 9594529 DXLKFTHOZHLHFS-VIFPVBQESA-N 387.442 2.546 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CCc2ccc(OC)c(OC)c2)n1 10045480 QPVNRMPWMCWSPC-UHFFFAOYSA-N 378.450 2.837 0 40 GFAB CCOC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1NC(=O)c1ccccc1N 10382182 TYBGDIVZGCORIR-UHFFFAOYSA-N 394.435 2.599 0 40 GFAB COc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c1 11779781 IQUXGKAKKXMMCN-GJZGRUSLSA-N 384.432 2.692 0 40 GFAB CCOc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3cnc(OC)nc3OC)C2)cc1 12124801 JYLJCHOMKQFRHO-DKZVUGQWSA-N 399.491 2.622 0 40 GFAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 12422939 UZPSRWZIWOYYLT-UHFFFAOYSA-N 398.444 2.664 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)/C(=C\c2ccc(C)cc2)n2ccccc2=O)C1 12463858 YCIPNITVXCWISF-AZGFIHASSA-N 394.471 2.957 0 40 GFAB O=C(NCc1ccc(-c2nn3cnnc3s2)cc1)c1ccc2c(c1)OCO2 12651720 XMBDLHNGLBTKSV-UHFFFAOYSA-N 379.401 2.512 0 40 GFAB O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(-c2nnc3n2CCC3)c1 12780822 JQZIRIFGKPPOJS-UHFFFAOYSA-N 389.459 2.579 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)c(F)c1 12805296 FRNXSPNHMQJDCS-UHFFFAOYSA-N 383.372 2.539 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCC2 13011884 SGAXGLHIHBGUJU-LJQANCHMSA-N 397.500 2.877 0 40 GFAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1)NC1CC1 13012406 MPCAIPYYISCURO-UHFFFAOYSA-N 396.871 2.949 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)C1 14014168 BCAQIMHSVSDKHQ-QTCYRWPVSA-N 383.448 2.704 0 40 GFAB COc1cccc(/C=C/C(=O)N[C@H](C(N)=O)c2ccccc2)c1OC(F)F 14197551 NPMDIEJVNCUUGT-OFAQMXQXSA-N 376.359 2.653 0 40 GFAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14201126 GFRRELCDPPWIBW-UHFFFAOYSA-N 378.538 2.882 0 40 GFAB CCc1n[nH]c(SCC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)n1 14249654 BKQZZRTUKHPULU-UHFFFAOYSA-N 386.424 2.728 0 40 GFAB COc1cccc(CN(C)[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 14921838 NUUOWTAMZPVDTD-CQSZACIVSA-N 399.447 2.635 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 15581214 CYYCQUBAQGQPPX-KRWDZBQOSA-N 394.880 2.841 0 40 GFAB COc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858271 BUOQDMDTWGGLTN-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@H](c1ccccc1)N(C)C)C2=O 16599569 XSCZJTOKZUXIPZ-HXUWFJFHSA-N 393.487 2.790 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1Cl 16692412 OBIJVVAEWQLEFD-UHFFFAOYSA-N 388.917 2.762 0 40 GFAB COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2N2CCCN12 19167873 ZSNNWEDGCLUMBI-ZCNNSNEGSA-N 377.444 2.539 0 40 GFAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)n1 19285852 DWXXJOVZWMPEIR-LRDDRELGSA-N 386.525 2.955 0 40 GFAB O[C@@H]1CCN(Cc2cn(C3CCN(Cc4cccc5ccccc45)CC3)nn2)C1 19744826 IAVYXITVBCJLIL-JOCHJYFZSA-N 391.519 2.835 0 40 GFAB O=C(CCc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCC1CCCCC1 21690293 BXVAUEWUQHDQIW-UHFFFAOYSA-N 388.493 2.713 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3ccc(-n4cccn4)cc3)o2)C1 21737190 HKWAZRANHHGXGH-AWEZNQCLSA-N 390.490 2.525 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOC(C)C)c1 21900310 RKZGIJXIODKRPF-UHFFFAOYSA-N 390.933 2.915 0 40 GFAB COc1ccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 22332489 MXSFSDFONLSWQD-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(N2CCOCC2)cc1 22513401 URYOTUHYSIVXQH-UHFFFAOYSA-N 376.460 2.947 0 40 GFAB CCn1cnnc1-c1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1 25281936 AEINXECCTYVBAQ-UHFFFAOYSA-N 388.431 2.622 0 40 GFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1 25376023 AOKHAQLGDILLSL-IBGZPJMESA-N 385.533 2.847 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)c2ccco2)C1 27336300 CACUPVZPYYAYRD-IRXDYDNUSA-N 385.464 2.678 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 27748404 SPLPEYGTQFQEAE-UHFFFAOYSA-N 379.464 2.556 0 40 GFAB COc1ccc(CN(C)C(=O)COC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 30733346 RKSIEEKGSXMTFR-UHFFFAOYSA-N 396.447 2.836 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@H]2COc3ccccc3O2)cc1 31040821 XASSGLVPYHCESG-KRWDZBQOSA-N 382.460 2.670 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)N1CCSC[C@@H]1c1ccc(OC)cc1 32091313 FMKCVYZOOANGSI-JKSUJKDBSA-N 398.550 2.789 0 40 GFAB COc1cc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc(OC)c1OC 32873561 ILOKYFNPVDYKKA-UHFFFAOYSA-N 390.421 2.821 0 40 GFAB COc1ccc(OCCNC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1 39995643 GGGSZMTZZUGSHM-LJQANCHMSA-N 388.439 2.784 0 40 GFAB CC(C)(C)C1CCC(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 40009937 GDZCUXDMPJATSN-UHFFFAOYSA-N 377.573 2.996 0 40 GFAB Cc1ccc2c(c1)c1nc(C3CC3)nn1c(=O)n2CC(=O)N1CCc2ccccc21 40152840 AGCRWDLEDIVSPL-UHFFFAOYSA-N 399.454 2.819 0 40 GFAB Cc1csc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCSCC2)n1 49548444 MSIXYJFJKLMQIF-HNNXBMFYSA-N 390.534 2.760 0 40 GFAB Cc1ccccc1-n1c(C)nnc1S(=O)(=O)Cc1cccc(C(=O)N(C)C)c1 52617082 BGTIXHZRTQMRTE-UHFFFAOYSA-N 398.488 2.560 0 40 GFAB O=c1[nH]nc(SCc2cccc(OCC(F)(F)F)c2)n1C[C@H]1CCCO1 59832487 AFKDTDGQYHHXAW-CYBMUJFWSA-N 389.399 2.984 0 40 GFAB Cc1ncsc1C(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 72334980 TZVWUVGNEVFHFK-UHFFFAOYSA-N 396.398 2.928 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 72392608 SOLZYSCQPFICIL-WSXQUGQNSA-N 391.418 2.502 0 40 GFAB Cn1cc(Br)cc(NC(=O)C[C@@H]2OCCc3ccccc32)c1=O 79049586 NORHMPWKXSPWLU-HNNXBMFYSA-N 377.238 2.790 0 40 GFAB COC[C@@H](C)N1CCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N(C)C)CC1 84640353 RJVOQGMGTOYNBQ-CXAGYDPISA-N 388.339 2.775 0 40 GFAB CCc1nc(CN2CCN(C(=O)c3ccnc(Oc4ccccc4)c3)CC2)no1 95957410 BBVGFFPWJZUXLF-UHFFFAOYSA-N 393.447 2.777 0 40 GFAB Cc1cc(C)cc(CCC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 96001747 XGIRWIRCFOJUQA-GOSISDBHSA-N 395.463 2.620 0 40 GFAB CNc1ccccc1C(=O)[C@@]1(C)[C@@H](C(=O)NC(C)(C)C)[C@H]1C(=O)NC(C)(C)C 100219819 XUYVDUPTBWGEJG-BRLLKYFNSA-N 387.524 2.993 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1F 100738261 CDRDFHMTRDHLEV-ROUUACIJSA-N 383.467 2.818 0 40 GFAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n(C)c12 100821254 KUHZUPGDIDZUOZ-VHEBQXMUSA-N 389.502 2.540 0 40 GFAB CC(=O)c1cccc(NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)c1 101616529 IXTJRWAJMXIYNR-UHFFFAOYSA-N 387.461 2.997 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C)C1 106102193 ANOGRMAOSNIZQI-OWCLPIDISA-N 389.562 2.731 0 40 GFAB CCc1ncc2c(n1)CN(CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)CC2 106377867 RFEGQAHHQRNPDT-OAHLLOKOSA-N 398.507 2.600 0 40 GFAB CN(c1ccc(C(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1)S(C)(=O)=O 222511919 KNIGLSSPLHUJCY-UHFFFAOYSA-N 382.825 2.717 0 40 GFAB COc1ccccc1OCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 224396948 FWQHCCPMTAFMRA-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB CCCSc1nnc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)s1 225722749 UFQPUQKICLNWND-UHFFFAOYSA-N 386.524 2.972 0 40 GFAB Cc1nc(N2CCN(C(=O)/C=C/c3cccnc3)CC2)cc(C(F)(F)F)n1 225734556 UJVJECBAIWXADO-SNAWJCMRSA-N 377.370 2.561 0 40 GFAB COc1cc(C(F)(F)F)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013497 HYKFTNDALVMVDK-UHFFFAOYSA-N 386.355 2.719 0 40 GFAB O=C(O)[C@@H]1CCCN1C(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1 256028082 RRMXGDRQZRERPW-SFHVURJKSA-N 393.395 2.914 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 260800793 XGBPXNQGCCFDLK-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB CCn1cc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306129138 HVNLOMVIKGVFGF-TZIWHRDSSA-N 394.500 2.720 0 40 GFAB COc1ccc(CN2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 306129220 HXUHJPOHYJCNCI-QHCPKHFHSA-N 388.471 2.861 0 40 GFAB COCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 408558649 SJXRAZRSTNSZGY-UHFFFAOYSA-N 398.868 2.526 0 40 GFAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CC2)CC1=O 408616188 WZZQWTYOJBLABN-OAHLLOKOSA-N 377.444 2.879 0 40 GFAB O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CCCN(c2ccccc2F)C1=O 570264285 AYDDWXWDZHRVFP-RTBURBONSA-N 396.466 2.507 0 40 GFAB CN1c2cc(F)c(NC(=O)Cn3ccc4ccccc43)cc2N(C)S1(=O)=O 575611900 HWZTWZOIHUWISE-UHFFFAOYSA-N 388.424 2.550 0 40 GFAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(Cl)cc2)n1 604382653 XHQKOTDZMACBQD-UAFMIMERSA-N 389.927 2.944 0 40 GFAB biogenic,in-vitro O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1ccn2nnnc2c1 616699620 DUECDPFZZGCUOP-UHFFFAOYSA-N 391.353 2.875 0 40 GFAB Cc1nnnn1-c1cc(NC(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)ccc1F 652463300 JTFOSBHARWHETH-YJBOKZPZSA-N 397.414 2.547 0 40 GFAB Cn1nnc2c1CC[C@H](NCc1cnn(-c3ccc(C(F)(F)F)cc3)c1)C2 655840808 KCORUZPEMXJXKW-AWEZNQCLSA-N 376.386 2.667 0 40 GFAB COc1cccc(-c2nsc(NC(=O)N3CCC[C@H](CC(=O)O)C3)n2)c1 669502456 CTBDPNSYHANCDF-LLVKDONJSA-N 376.438 2.932 0 40 GFAB Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1cnn(-c2ccccn2)c1C 682706349 PUOMFHSWYQVKRQ-UHFFFAOYSA-N 394.460 2.871 0 40 GFAB Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)O[C@@H]1CCC(=O)NC1 1518772812 PMBNVLVQPSSAKG-GFCCVEGCSA-N 394.353 2.983 0 40 GFAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)CCF)CC3)c1 1565555067 QFHRMLDBESJXNH-UHFFFAOYSA-N 377.441 2.691 0 40 GFAB O=C(N1CCC[C@@H](COc2ncccn2)C1)C1(c2ccccc2)CCOCC1 1775995476 XTXNQEJQSGMITN-GOSISDBHSA-N 381.476 2.842 0 40 GFAB Brc1cnc(OC[C@H]2CCCN(c3nccn4nccc34)C2)nc1 1775996293 RAASORNPYMNAOU-LBPRGKRZSA-N 389.257 2.577 0 40 GFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)c2ccncc2)CC1 1888888071 NHSOCYVVHWVSMG-UHFFFAOYSA-N 380.423 2.791 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 2037839771 CPWYMWFFGYCSFM-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 783932 CNQZMSZDGZRTHQ-UHFFFAOYSA-N 392.452 2.874 0 40 GFAB CC1CCN(C[C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C2)CC1 78718459 NTMFIMZXUBLACN-RTBURBONSA-N 377.573 2.994 0 40 GFAB COc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc(Cl)c1OC 22991585 NPFANRFMSOWFMH-UHFFFAOYSA-N 380.872 2.832 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(Cl)c1 3548343 MFSOTKYRNPAMNA-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O 4305525 MOPPRDKGAKOBSF-NRFANRHFSA-N 399.878 2.856 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351588 RJLQNTLCBIVESF-UHFFFAOYSA-N 381.384 2.908 0 40 GFAB O=C(Nc1ccccc1)N[C@H]1OC(=O)C(Br)=C1Br 1021412 ALYFSEUVPAQSFA-VIFPVBQESA-N 376.004 2.692 0 40 GFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 6614495 YMARGAPYVHRCHM-UHFFFAOYSA-N 398.532 2.882 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)c1C 7053664 KOGJPCBCSHDIEW-UHFFFAOYSA-N 382.507 2.677 0 40 GFAB O=C(COc1ccc(F)cc1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 7090281 OTMPDRUPVVGCRI-UHFFFAOYSA-N 388.420 2.896 0 40 GFAB O=C(C1CCN(CCOc2c(Cl)cccc2Cl)CC1)N1CCOCC1 61778533 RZDJCDBVAFSPDW-UHFFFAOYSA-N 387.307 2.943 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 1406573 IIVSGLAGBKLNIF-JJRVBVJISA-N 380.391 2.955 0 40 GFAB Cc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCc3ccccc3C2)n1 57506609 AQKHXSQFSDRJGQ-UHFFFAOYSA-N 392.434 2.892 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)cc1OC 27565358 YUDJHCAYVNJDTI-MRXNPFEDSA-N 385.416 2.891 0 40 GFAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCNC(=O)[C@H]1C[C@H]1C 58209551 PAWZAFOTUXZRAP-ABAIWWIYSA-N 376.407 2.619 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)s1 48252268 YOBZTFPBLDBPMP-CQSZACIVSA-N 384.548 2.879 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)c(C)c1 28272871 KPNNJCPVYCHHIJ-AWEZNQCLSA-N 389.315 2.900 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccco1 3315039 BOVIGVISBNIHQB-UHFFFAOYSA-N 392.477 2.783 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1 2382613 OGLWYIPWAJDGJL-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB CC(C)N1C[C@@H](C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1=O 48368252 MXJZEMPDQUEYEB-KRWDZBQOSA-N 397.450 2.951 0 40 GFAB CN(C)c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1F 48302692 ORXSIILSTGEKBF-UHFFFAOYSA-N 390.846 2.734 0 40 GFAB Cc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)oc2ccc(Br)cc12 12852823 WDHUAUMUEZWYBC-NSHDSACASA-N 386.267 2.763 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 29085651 UWINVPVTJFJVDG-QZTJIDSGSA-N 379.391 2.547 0 40 GFAB Cc1ccc(-c2nnc(Cl)c3ccccc23)cc1S(=O)(=O)NCCO 2522301 WGLHFDZJLURIDF-UHFFFAOYSA-N 377.853 2.529 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1C 10301306 XZZSTDZLJINHKV-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)NC2CCCCC2)cc(OC)c1OC 3415373 AZKDMANOKAABIK-MDZDMXLPSA-N 377.437 2.718 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(=O)sc3c2)cc1 3653837 AOBKUFJWXLOVOD-UHFFFAOYSA-N 393.442 2.995 0 40 GFAB Cc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 22327925 XTXRIHJEIFISRM-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CN(Cc1cc2cccc3c2n(c1=O)CC3)C(=S)Nc1cccc2nonc12 13687768 GWNLSRVQTZBLBL-UHFFFAOYSA-N 391.456 2.923 0 40 GFAB COC(=O)c1cc(OCC(=O)NCc2ccccc2)c2cc(OC)ccc2n1 65033150 ABGXMBQTCQJGBR-UHFFFAOYSA-N 380.400 2.725 0 40 GFAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccccc2)cc1 9238800 GWJYBYCEVLOHLE-ROUUACIJSA-N 379.489 2.970 0 40 GFAB Cc1cc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)no1 5168325 RDWASQSPXXUELF-INIZCTEOSA-N 393.827 2.573 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)c1 5326590 SFKKLXDJUIZVKZ-UHFFFAOYSA-N 390.461 2.805 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)C2=O 22575838 REAFVABCNDRJHL-AWEZNQCLSA-N 394.427 2.630 0 40 GFAB C[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 67278859 WYMBDAYLILVTQZ-GHMZBOCLSA-N 378.778 2.777 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)CC2(CCCCC2)C1=O 7047010 WMDPWZJKHKNWIY-UHFFFAOYSA-N 385.489 2.964 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 7117199 PVXTZJJORVQFPS-UHFFFAOYSA-N 399.834 2.528 0 40 GFAB NC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 15502226 CWWOHOFUPSVBKJ-FQEVSTJZSA-N 377.400 2.910 0 40 GFAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NCCc1c[nH]c2ccc(F)cc12 9421218 MWRBVMVJLAYJRQ-JTQLQIEISA-N 384.440 2.813 0 40 GFAB O=C(CCCc1nc(-c2ccccc2)no1)Nn1cnc2ccccc2c1=O 16260239 GTVGHMWPQPOWDV-UHFFFAOYSA-N 375.388 2.540 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 8185148 VAJCCJJBOYJFHF-HOTGVXAUSA-N 398.459 2.962 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1F 8186692 OREUPCRXWSHNEY-UHFFFAOYSA-N 396.440 2.622 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[C@@H]1c1ccccc1F 69574008 XKXXUWNIVBDHOF-CABCVRRESA-N 391.420 2.596 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)OCc1nc2c(C)cccc2c(=O)[nH]1 8545739 PUYQDZPERVOZMM-UHFFFAOYSA-N 382.464 2.987 0 40 GFAB C[C@H](c1nc(C2CC2)no1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 69981852 ZCVAPRJCIJLOEU-GFCCVEGCSA-N 396.447 2.934 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 28209471 YCUOLOPVGWEUEJ-SFHVURJKSA-N 386.473 2.930 0 40 GFAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9690464 OQCSBJBTHXKHCS-SECBINFHSA-N 394.522 2.578 0 40 GFAB O=C(c1ccc(-n2cncn2)c(F)c1)N(Cc1cccnc1)C[C@H]1CCCO1 84425034 OFZDTGXHKQMDAW-QGZVFWFLSA-N 381.411 2.623 0 40 GFAB COC(=O)CCN1CCN(C(=O)CCCOc2ccccc2Cl)[C@@H](C)C1 95460254 CEKWJNMLCFSYQI-HNNXBMFYSA-N 382.888 2.595 0 40 GFAB FC(F)(F)c1nc(NCC2(N3CCOCC3)CCCCC2)c2nc[nH]c2n1 95948762 USOAAHMWZLFWTL-UHFFFAOYSA-N 384.406 2.819 0 40 GFAB Cc1cc(N2CCC(NC(=O)C[C@H]3OCCc4ccsc43)CC2)nc(C)n1 89599372 SJUKISBDKBJDFW-QGZVFWFLSA-N 386.521 2.944 0 40 GFAB COc1ccc(N(CCCC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 113962816 WCZCFIFOODSTKS-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB O=C(c1ccccc1F)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306127912 GKLVKOCFKWBPQQ-UXHICEINSA-N 390.418 2.744 0 40 GFAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71980329 RYELBSOCEFOSHC-IBGZPJMESA-N 382.460 2.968 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380556 GXFBUHMWUCVPIM-ZDUSSCGKSA-N 387.509 2.867 0 40 GFAB Cc1ccc(N2CCN(S(=O)(=O)c3cnn(C(F)F)c3C)C[C@@H]2C)cc1 36614691 BEZLPKDWRVDPQD-ZDUSSCGKSA-N 384.452 2.794 0 40 GFAB Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)CC2)cn1 72345713 MTGVCSQIRHDIIZ-GOSISDBHSA-N 384.455 2.668 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccnn1C)N(C(=O)c1ccncc1)CC2 72342699 XQOHVBVLNAYYPE-FQEVSTJZSA-N 378.432 2.620 0 40 GFAB COc1ccc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)c(OC)c1 72389686 WWLBEUFVTVPFGC-QFIPXVFZSA-N 396.443 2.501 0 40 GFAB COc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 223485606 IDROHXNUVDXOAN-UHFFFAOYSA-N 382.460 2.619 0 40 GFAB Cc1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c2nn(C)c(C)c2n1 41070263 OHOWHKLTTNFDAB-STQMWFEESA-N 394.479 2.973 0 40 GFAB CN(Cc1cccnc1)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 48076945 LJRDJYFSEOHNPM-UHFFFAOYSA-N 386.502 2.982 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)COc2ccc(OC)cc2)ccc1C 225051408 UMAOTJCLIVUVAM-CQSZACIVSA-N 393.461 2.536 0 40 GFAB Cc1ccc(CN2C[C@H]3CN(Cc4ccc(C(=O)O)cc4)CCN3C2=O)cc1 96269148 ZMEQBQAZKCPVDZ-HXUWFJFHSA-N 379.460 2.815 0 40 GFAB biogenic,in-vitro O=C(COc1ccccc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96239941 FORPKUMSGXTVGD-UHFFFAOYSA-N 395.503 2.602 0 40 GFAB Cc1nc(NCc2ccco2)nc2c1COC[C@@]21CCN(C(=O)NCC(C)C)C1 96244641 LJRQXJFWERTPFC-NRFANRHFSA-N 399.495 2.829 0 40 GFAB Cn1cc(N2CC[C@H](NC(=O)C3(Cc4cccc(F)c4)CCCCC3)C2=O)cn1 585083040 VZGCAMXGLMVSJT-IBGZPJMESA-N 398.482 2.974 0 40 GFAB Cc1cccc(Nc2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1 257296630 RDQIEUPKQIXZOP-UHFFFAOYSA-N 375.498 2.514 0 40 GFAB CCCC[C@H](CC)CNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1 260846319 LUFVQYMICXPBIX-MAUKXSAKSA-N 382.526 2.855 0 40 GFAB COCc1csc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 657460936 OYUJJJAMJSRZKR-UHFFFAOYSA-N 396.534 2.836 0 40 GFAB CN(C)C[C@H]1CSCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 90608972 PJIIKWJVLXTQEP-ZDUSSCGKSA-N 382.473 2.763 0 40 GFAB Cc1ccnc(Nc2cc(N3CCN(C(=O)c4ccccn4)CC3)nc(C)n2)c1 90607943 MDPRUYCCWYSYGO-UHFFFAOYSA-N 389.463 2.589 0 40 GFAB O=C(CCCc1ccccc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 90607777 JHLFUKKTBKSUAE-UHFFFAOYSA-N 375.476 2.939 0 40 GFAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3)cn2)C1 630727680 WCJUYNTUCOHGMH-QGZVFWFLSA-N 377.448 2.809 0 40 GFAB COC[C@]1(C(=O)O)CCN(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)C1 635513745 CSISHGIVDZZUNE-RXVVDRJESA-N 383.448 2.612 0 40 GFAB O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(Br)cc1 96123386 XJSGGURRCRMLCD-UHFFFAOYSA-N 386.271 2.798 0 40 GFAB COc1ccc(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)c(OC)c1OC 390826480 MGPUWXFWBXWPTP-FQEVSTJZSA-N 387.388 2.564 0 40 GFAB O=C([C@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 585095081 DDOJQSPOQFOGPD-RBBKRZOGSA-N 389.455 2.814 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3F)no2)c1=O 823024284 NMVWGMYVVHBVKE-UHFFFAOYSA-N 380.379 2.811 0 40 GFAB O=C(O)c1ccc(P(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2)cc1 59301968 UDCBIOUMTDEDCU-UHFFFAOYSA-N 394.319 2.539 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H](c2nc(C)cs2)C1 577845821 IGLWFTHORZMMHI-CYBMUJFWSA-N 396.490 2.727 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc([C@@H](O)c2nccn2C)cc1 12147677 BMMBMUFFNCZPMM-GOSISDBHSA-N 387.461 2.620 0 40 GFAB Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 12229547 DHIYSLIMGDOIRB-HOTGVXAUSA-N 378.519 2.676 0 40 GFAB CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1OC 13581239 GYRNJIBWKZBWAT-UHFFFAOYSA-N 394.468 2.504 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584643 ZJGWRWUPJRYKAP-HNNXBMFYSA-N 376.478 2.805 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1F 14608292 BOORDYJDEKOFBP-OAHLLOKOSA-N 380.375 2.925 0 40 GFAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N(C)C 15002456 ZUXJNCFQYJSIET-UHFFFAOYSA-N 388.367 2.615 0 40 GFAB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 16807967 SLPCMDWYAIFTRV-DAVKGZNBSA-N 399.487 2.580 0 40 GFAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 19291278 KNYMDYWDBFXOIA-NRFANRHFSA-N 380.467 2.963 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19345636 SZYILDSLGMERRP-NRFANRHFSA-N 376.504 2.907 0 40 GFAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12 19365195 KHSSVTFHEAVQGB-INIZCTEOSA-N 376.932 2.814 0 40 GFAB CCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)n1 19522490 PLGICVPIRPGZQR-OAHLLOKOSA-N 387.480 2.738 0 40 GFAB Cc1c(C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cnn1C 19553191 BIGQRATYGNGYOJ-UHFFFAOYSA-N 397.504 2.635 0 40 GFAB COc1nn(CC(=O)Nc2ccc(N3CCCC3)c(F)c2)c(=O)c2ccccc12 19594898 MMOOYQLYEBLYOO-UHFFFAOYSA-N 396.422 2.783 0 40 GFAB CC(=O)N[C@@]12CN(Cc3ccc(-c4ccccc4)cc3)CC[C@@H]1CN(C(C)=O)C2 19713648 ZLEBYKUTMCDQDV-DNQXCXABSA-N 391.515 2.913 0 40 GFAB Cc1cc(C)nc(N2CCC(CC(=O)N3CCN(C4CCCC4)CC3)CC2)n1 19748175 VYJWCQDANWXYDV-UHFFFAOYSA-N 385.556 2.787 0 40 GFAB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C3 208037226 SHUFYYAFGROMTG-UHFFFAOYSA-N 376.395 2.765 0 40 GFAB C[C@@H](CO)NC(=O)CN1CCCCCOc2ccccc2Oc2ncccc2C1 643575425 HUTRPBIMTMDWCM-KRWDZBQOSA-N 399.491 2.736 0 40 GFAB CCNC(=O)C[C@@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 585081596 YLULNHDULWDJKX-KRWDZBQOSA-N 392.931 2.859 0 40 GFAB COc1ccc(CCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1OC 10549748 HMNUJXHQHJHEJQ-UHFFFAOYSA-N 378.450 2.647 0 40 GFAB CC1CCN(CC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)CC1 2037912541 OFTAKYPGSRFHAO-OAQYLSRUSA-N 378.488 2.680 0 40 GFAB COc1cccc2c1OCCCN(C(=O)CN1C(=O)CCc3ccccc31)C2 95509987 KJXXTSDPUHETLM-UHFFFAOYSA-N 380.444 2.786 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)[C@@H](C)Oc3ccccc3)cc12 4032809 VCSCFJZIATUABX-CQSZACIVSA-N 396.443 2.672 0 40 GFAB O=C(NCCCn1nc(-c2ccncc2)ccc1=O)Nc1ccc(F)c(F)c1 11747070 GPTUFYLQQWZPJK-UHFFFAOYSA-N 385.374 2.795 0 40 GFAB O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1ccc(Cl)cc1 15884302 LEJDCRGYFXCVLG-UHFFFAOYSA-N 382.807 2.788 0 40 GFAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCc3sccc3[C@@H]2CC)C1 30426498 GBAMCBZDSRJRBN-HIFRSBDPSA-N 386.539 2.577 0 40 GFAB O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCN(c2cnccn2)CC1 40104342 HPMQTLNDCZRLOB-UHFFFAOYSA-N 381.358 2.772 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 40119969 XBFQHQQQYGCPAO-GOSISDBHSA-N 387.505 2.823 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1cccc(OC(F)F)c1 50640085 ABUOLERVWFIACQ-DZKIICNBSA-N 399.463 2.630 0 40 GFAB C[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20358213 JCPMGDVJSVYXMZ-LBPRGKRZSA-N 399.520 2.748 0 40 GFAB O=C(OCC(=O)N1CCCCC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 20856154 YLQZRTDVCBSLMV-RBUKOAKNSA-N 398.503 2.938 0 40 GFAB O=C(c1cnc2n(c1=O)CCS2)N1CCC(c2nc3ccccc3o2)CC1 32768472 RWVZKBMXJJIGOY-UHFFFAOYSA-N 382.445 2.510 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccc3c(c2)OCO3)n2nc(-c3ccc(C)cc3)nc2N1 32816955 SDLJGMZBTHCIDT-GOSISDBHSA-N 389.415 2.756 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)c2c[nH]cc2-c2ccccc2)CC1 53016915 LUEQXPNONMHUCL-UHFFFAOYSA-N 375.494 2.616 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3c(C)noc3C)CC2)cc1 22613462 YPCPJWPKGVVYQB-UHFFFAOYSA-N 392.477 2.744 0 40 GFAB Nc1nc(COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)nc(Nc2ccccc2)n1 103908119 JYHDTXZTCPZFDS-RKOMNEFPSA-N 395.463 2.572 0 40 GFAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)Nc1ccccc1 1361795 APNXEPKHXQBNLP-UHFFFAOYSA-N 388.387 2.824 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)C(C)(C)C1 78879431 FODAZHARQPRSHU-UHFFFAOYSA-N 395.525 2.726 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 2648271 SSMOCKDCZOAZHE-UHFFFAOYSA-N 396.896 2.722 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)C[C@@H](C)O1 3164183 XSANVVJUSSRLQI-HUUCEWRRSA-N 380.510 2.547 0 40 GFAB CC[C@@H](OC(=O)c1cc2occc2n1C)C(=O)NCc1ccc2c(c1)OCO2 4967192 WAAOMJLADQJQSX-OAHLLOKOSA-N 384.388 2.752 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)NC[C@H]2CCCO2)c1 6681321 IYUYPFNNCCXMQM-CQSZACIVSA-N 398.481 2.621 0 40 GFAB CCC[C@H](C)NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 6946520 UXUKYEQRORELQR-NSHDSACASA-N 377.304 2.520 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)SC1=S 6963814 IDRNODCFAHLVQS-GDNBJRDFSA-N 376.503 2.969 0 40 GFAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 6971010 SHAUMMFIWPPABJ-LFIBNONCSA-N 394.406 2.877 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2cccc(OC)c2)CC1=O 7881530 SQZGFOUJQGNIPF-INIZCTEOSA-N 397.427 2.873 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)c2cncn2-c2ccc(F)cc2)c1 12580029 TYIBUJJKNYUWFD-UHFFFAOYSA-N 382.395 2.731 0 40 GFAB Cc1ccccc1Cn1c(N[C@@H](C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 1275547 KBCJVIVXAKAHOT-HNNXBMFYSA-N 389.459 2.953 0 40 GFAB C[C@@H](NC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1ccc(-n2cncn2)cc1 25011229 SLKWTGDWYCMBMO-ZIAGYGMSSA-N 377.404 2.614 0 40 GFAB COc1ccc(CN(C)C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 23603746 QXMRJJSZJPLCNU-UHFFFAOYSA-N 381.407 2.961 0 40 GFAB O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN1Cc1ccccc1 57174349 WSMYKPAFRBZLEV-QFIPXVFZSA-N 378.520 2.827 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12735791 GSICHUBBRVLZKB-INIZCTEOSA-N 395.459 2.562 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc23)s1 58162742 BXDZMTFBICDIQE-ZDUSSCGKSA-N 387.490 2.736 0 40 GFAB O=C(NCc1ccccc1OC(F)F)c1cccc(N2CCCS2(=O)=O)c1 12745446 LXYXBVFOPAAUHI-UHFFFAOYSA-N 396.415 2.758 0 40 GFAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1=Cc2ccccc2CC1 12735082 INTFYPQHGCFHDJ-OAQYLSRUSA-N 398.528 2.794 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccccc3)n2)C1 12769991 BUADTTPERQQFLX-GASCZTMLSA-N 386.521 2.990 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1 3301491 YJXZDGRYVAOWKZ-UHFFFAOYSA-N 392.358 2.508 0 40 GFAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCc3ccccc3C2)n1 36379698 FTTSMCBMLYTBFZ-UHFFFAOYSA-N 376.464 2.584 0 40 GFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CCN(Cc2ccccc2)C1 36403726 DHRRYBGWEXUNCC-VXKWHMMOSA-N 378.520 2.835 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccnc(-n3ccnc3)c2)C(C)C)c1 48374498 OMXWVUDUHSKKDX-HXUWFJFHSA-N 391.475 2.647 0 40 GFAB Cc1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 20236629 LZWGZBHANMIYLA-UHFFFAOYSA-N 378.519 2.670 0 40 GFAB O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 12006029 OYTYBQUDXJMVLN-UHFFFAOYSA-N 382.800 2.798 0 40 GFAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)nn12 12852955 FGTWQYCKZUCOFW-SECBINFHSA-N 394.218 2.924 0 40 GFAB O=C1CCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 3515431 NXSJOEGZFVUZPA-UHFFFAOYSA-N 379.441 2.627 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccsc3)CC2)c1 12992127 CCSFIEMFIGYPQX-AATRIKPKSA-N 390.530 2.911 0 40 GFAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)[C@H]1CCC(=O)N1 3625951 WGPKHZLZCIFUJG-UTKZUKDTSA-N 389.496 2.504 0 40 GFAB Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1C 4165970 PHOVSERIKJGOKC-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccc(F)cc2)N1 9227055 KLYKYYVHNFHJRQ-AWEZNQCLSA-N 390.802 2.783 0 40 GFAB CCOc1ccc2c(c1)C=C(C(=O)N1CSC[C@@H]1C(=O)N(CC)CC)CO2 65591417 KITYGNJTYLABDB-QGZVFWFLSA-N 390.505 2.631 0 40 GFAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 14171146 UTWCYRRULSYWSC-NRFANRHFSA-N 380.400 2.708 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(SC(F)(F)F)cc1 24680711 JMDOHPVSFPAVHU-LBPRGKRZSA-N 396.456 2.842 0 40 GFAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)CNC(C)=O 4571322 CPEYARSGPZHLMZ-HXUWFJFHSA-N 393.553 2.830 0 40 GFAB COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCC[C@H]1C 5574836 JZIZKEXTSKWBPN-GFCCVEGCSA-N 395.506 2.967 0 40 GFAB CCOc1ccc(OCCOC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 6610444 KKXMVKUSZKKSNP-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5672579 BJOPHMJRVRBYKD-UHFFFAOYSA-N 377.466 2.806 0 40 GFAB CCOC(=O)c1c(NC(=O)C(=O)NCc2ccco2)sc2c1CCCC2 28286444 FAFMMYYVSLRSJE-UHFFFAOYSA-N 376.434 2.652 0 40 GFAB CNC(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 66747349 MRISMGFNRLECKN-JOCHJYFZSA-N 377.444 2.502 0 40 GFAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cnn(C)c2C)n2ncnc2N1 6922390 RVADAQSCFBZPPY-GOSISDBHSA-N 377.452 2.864 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)c1C 67218499 YXZKUTKHEAWNAF-UHFFFAOYSA-N 385.489 2.745 0 40 GFAB COc1ccc(OCc2nc3c4c(C)c(C)n(CCN(C)C)c4ncn3n2)cc1 9305831 PUXGGMZQJSGMSY-UHFFFAOYSA-N 394.479 2.845 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(F)cc2)c(=O)[nH]c1=O 7000485 LRFPJIAVKXRCGX-UHFFFAOYSA-N 390.459 2.751 0 40 GFAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccccc3C)n2)C2CC2)cc1 7315584 GJTODHQZINDFDY-UHFFFAOYSA-N 377.448 2.848 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1N 15910889 AGEUJGNHTLSEQO-BETUJISGSA-N 375.498 2.549 0 40 GFAB CC(=O)Nc1ccc(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 16103608 OVIOBWCRTZYZAP-UHFFFAOYSA-N 395.507 2.758 0 40 GFAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc2c(c1)OCCO2 9512291 GFWRMZWKWBWNTQ-UHFFFAOYSA-N 379.416 2.813 0 40 GFAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c(=O)[nH]c2ccccc2c1=O 17028688 BZUKVSGQXIGPDR-JTQLQIEISA-N 377.322 2.908 0 40 GFAB CCn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c3c(cnc21)C(=O)CCC3 22610578 RMWCBTPIROSNBQ-UHFFFAOYSA-N 383.835 2.799 0 40 GFAB CC(=O)N1CCCCC[C@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 69976799 RVPQDQOHWGOWRS-FQEVSTJZSA-N 382.512 2.665 0 40 GFAB CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1 18217895 BLBPPZUNNFDYST-IBGZPJMESA-N 386.540 2.841 0 40 GFAB COC(=O)c1cc(Br)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 8746196 WDEQEFKZFFXDOM-QWRGUYRKSA-N 382.210 2.841 0 40 GFAB O=C1CO[C@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 67897312 OMCSVPNOTSZQOU-MSOLQXFVSA-N 391.393 2.712 0 40 GFAB biogenic,in-vitro O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306134747 NXBRFGVAZMRDIU-IRXDYDNUSA-N 391.450 2.974 0 40 GFAB CCCCOC(=O)c1ccc(-n2c(C)cc3c(cnc4ncnn43)c2=O)cc1 38783897 IGWBRLPERPXZLS-UHFFFAOYSA-N 377.404 2.694 0 40 GFAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)Cc2ccc(C)cc2)C3)C1 72390910 FKARSXPXRBHHNL-LJQANCHMSA-N 392.503 2.638 0 40 GFAB CC(C)c1ccc([C@H](C)NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 38780506 AXQVWPAGHOMYDA-HNNXBMFYSA-N 386.496 2.747 0 40 GFAB COc1ccc([C@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219724830 KCSZPHNOHPTNDN-INIZCTEOSA-N 390.505 2.973 0 40 GFAB CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 79413410 GBYHFBZRCDNVPT-MOPGFXCFSA-N 375.513 2.865 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(C)cc1 35877003 QXXLHODIWNSIJU-BULFRSBZSA-N 393.531 2.857 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCN2CCSC2=O)N2CCCC2)cc1 40007670 DXYSDEKZRJYQEU-QGZVFWFLSA-N 377.510 2.507 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1 40009870 GOOWJBDYDOVMQW-LJQANCHMSA-N 396.443 2.856 0 40 GFAB c1ccc(C2(c3noc(-c4cn(Cc5ccccn5)nn4)n3)CCOCC2)cc1 564687249 LAZFAEGAXFMYLI-UHFFFAOYSA-N 388.431 2.868 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 223237574 MBIUZGGZRVREOZ-GOSISDBHSA-N 376.403 2.897 0 40 GFAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)c1 223018363 BVERTADGLJSSJS-LBPRGKRZSA-N 380.441 2.624 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)Cc3c[nH]c4ccccc34)n2)cc1 49027350 XHCSQFGGHAKRHD-UHFFFAOYSA-N 392.415 2.997 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](c3ccco3)N(C)C)n(C)n2)c1 77200667 PJKBQYFZNOVRER-SFHVURJKSA-N 398.463 2.730 0 40 GFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220293102 CWXMUWHFOBPJFS-CQSZACIVSA-N 394.468 2.647 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)CCc1ccccc1)C2 96237766 RAXKSTXKLVRFSE-QHCPKHFHSA-N 377.488 2.569 0 40 GFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccoc1)CC2 96037013 SKVDFRIPWLELFV-UHFFFAOYSA-N 380.496 2.703 0 40 GFAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NC2CCCCCCC2)C1=O 96223046 OPZMNLPWDJJPQJ-KRWDZBQOSA-N 387.480 2.735 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)c2cnccn2)n1 257340561 ZGROSCRBYVJESV-INIZCTEOSA-N 378.436 2.776 0 40 GFAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)CN3CCOCC3)o2)c1 257303272 SGLPODKUSJBZTJ-HXUWFJFHSA-N 399.491 2.660 0 40 GFAB CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)NCCc3ccc(C)s3)C2)n1 257288560 PURJXQUWAUMHFC-INIZCTEOSA-N 388.537 2.874 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NCCc3csc(-n4cccn4)n3)c2O1 90609443 QAQCDFYXVULWLL-UHFFFAOYSA-N 398.488 2.780 0 40 GFAB Cc1ccc(Cl)c(S(=O)(=O)NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)c1 1119441077 FVYPDXRSKNCBKL-SECBINFHSA-N 395.790 2.930 0 40 GFAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3Cc4cc(F)c(F)cc4C3)cc21 655656156 MOIOOALRGYVQHW-UHFFFAOYSA-N 378.400 2.899 0 40 GFAB CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)[C@@H](C(=O)O)C(C)(C)C)cc2)C1 663108551 SUYIRYZLWUHBGE-SJORKVTESA-N 389.496 2.538 0 40 GFAB Cn1c(=O)c(CNC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)cc2ccccc21 664944114 GHACPRNAHGSSMD-MISYRCLQSA-N 377.419 2.815 0 40 GFAB CN(C)C(=O)[C@H]1OC2(CCN(C(=O)c3ccnc(F)c3)CC2)c2ccccc21 585109791 UOIYWBJJRNEQTA-SFHVURJKSA-N 383.423 2.512 0 40 GFAB O=C(NCc1ccc(Cn2ccnc2)cc1)N[C@@H]1CCO[C@H]1c1ccncc1 585123190 FHDPOHMXKZHXAD-UXHICEINSA-N 377.448 2.656 0 40 GFAB Cc1cc(C(=O)N2CCc3oc(C(=O)N[C@@H]4CC[C@@H](F)C4)nc3C2)ccc1F 585112099 LDHDGBIWFSENKB-ZIAGYGMSSA-N 389.402 2.941 0 40 GFAB COc1ccc(-c2nc3s/c(=C/c4ccc(F)cc4)c(=O)n3n2)cc1OC 33479109 WZEZLVBHPHQSTP-CXUHLZMHSA-N 383.404 2.522 0 40 GFAB COc1ccc(CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 58213723 NJCGQCDTMGFLGP-CQSZACIVSA-N 376.407 2.694 0 40 GFAB CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)Cc1ccc(F)cn1 585083072 WYMXULAVZXWIRD-NRFANRHFSA-N 385.483 2.667 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCc3nn(C)c4c3CCCC4)CC2=O)cc1C 96099153 WTYWMZUZIHQZTI-MRXNPFEDSA-N 380.492 2.585 0 40 GFAB COCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F 5017799 DMDLHAHTZLYAIP-GJZGRUSLSA-N 398.385 2.928 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(OC)c2)CC1=O 5037599 ZTFGVOYTJISBAC-INIZCTEOSA-N 396.443 2.792 0 40 GFAB COc1cc(CN2[C@H]3CC[C@@H]2Cc2c(nc(C)[nH]c2=O)C3)ccc1OC(F)F 19286348 LDAGHZXEMALIOE-KGLIPLIRSA-N 391.418 2.820 0 40 GFAB COc1ccc(CN2C[C@@H](CO)[C@@]3(CCc4ccccc4C(=O)N3)C2)c(C)c1C 19577410 YGJMDLKWHWSELD-GBXCKJPGSA-N 394.515 2.851 0 40 GFAB CCCc1nnc(S/C(=C\c2ccc(OCC(=O)OCC)cc2)C(=O)O)[nH]1 7342331 UZALYTLHUDOIFQ-UVTDQMKNSA-N 391.449 2.917 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@@H]2CC=CCC2)CC1 12187224 ZIMVOXAMGJCADN-QGZVFWFLSA-N 395.503 2.669 0 40 GFAB CC(C)(C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 16891397 ZBXWVDMMDCKUFP-UHFFFAOYSA-N 377.872 2.799 0 40 GFAB Cc1noc([C@@H]2CN(C(=O)[C@H]3COc4ccccc4O3)C[C@H]2c2ccccc2)n1 238866096 LUTMOIKRQDUVIR-SQGPQFPESA-N 391.427 2.928 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 244975019 HXZJBPSYYWLLEY-IUODEOHRSA-N 383.429 2.954 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037840609 OLZAODUOLYUHOB-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C1COC[C@@]2(CCN(Cc3ccc4c(c3)OCCO4)C2)CN1c1ccccc1 2037978435 WDGKDOFONJUBIS-HSZRJFAPSA-N 394.471 2.713 0 40 GFAB CCn1ncc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c1C 2037985255 CZALICJAQZEJKS-QFIPXVFZSA-N 396.491 2.640 0 40 GFAB COc1ccc(C(=O)NCc2nnc(S)n2-c2ccc(F)cc2)cc1OC 4059248 ICALYUVUNGLVAT-UHFFFAOYSA-N 388.424 2.642 0 40 GFAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4cnc(Cl)cc4Cl)C[C@H]3O2)n[nH]1 2055771693 RBEOZISANSVIEI-ZWKOPEQDSA-N 382.251 2.807 0 40 GFAB CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)CC(C)C)C(F)(F)F 24984024 QHNPTCWBQYMNIY-INIZCTEOSA-N 378.366 2.899 0 40 GFAB O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1Cl 36700125 LMNRPWXWLMIIPF-KRWDZBQOSA-N 380.897 2.692 0 40 GFAB O=C(Cc1noc(C(=O)NCc2ccccc2)n1)Nc1cccc2ncccc12 40283135 NBUDQGAYKYHHFN-UHFFFAOYSA-N 387.399 2.729 0 40 GFAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)N[C@H](C)Cc3ccccc3)cnc12 32073643 OANRKWGBMZEOQE-OAHLLOKOSA-N 390.443 2.902 0 40 GFAB COCCCN1CNC2=N[C@H](c3cccs3)n3c(nc4ccccc43)N2C1 20650582 OSQRKXPNPXBOOT-KRWDZBQOSA-N 382.493 2.677 0 40 GFAB Cc1ccc(-n2nc(CO)c(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1 20869301 XVXVCWYQBNLPBH-UHFFFAOYSA-N 375.432 2.522 0 40 GFAB CNC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1 32745211 OJWHDLDIPKBHOD-UHFFFAOYSA-N 381.461 2.573 0 40 GFAB CCc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)CC)CC3)sc2c1 32744494 GATVQCLIXKZFED-UHFFFAOYSA-N 381.523 2.859 0 40 GFAB Cc1c(O)ccc2c(COC(=O)CCCn3c(C)csc3=O)cc(=O)oc12 32741804 IBZFSIQVYUADAE-UHFFFAOYSA-N 389.429 2.862 0 40 GFAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 32895087 VCPOGQBLQOYNQC-UHFFFAOYSA-N 392.462 2.819 0 40 GFAB CCc1ccc([C@H](NCc2cc(=O)n(C)c(=O)n2C)c2cccc(F)c2)cc1 32865641 FTAYZCKUAAYJNY-NRFANRHFSA-N 381.451 2.665 0 40 GFAB Cn1cc(Br)c(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)n1 656361 TVHVJSZPHGMTEB-UHFFFAOYSA-N 397.298 2.864 0 40 GFAB COc1ccc(OC)c(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 932149 GRVXMVWFQJJKIT-STQMWFEESA-N 391.497 2.561 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCC(C)C)C2=O)cc1OC 1472434 CAFQKRDDTJVEGM-YBEGLDIGSA-N 392.477 2.902 0 40 GFAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCC(=O)N1CCCC1 3329174 QDXYAFZNFZAVQY-GHRIWEEISA-N 397.475 2.852 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(O)cc1 3405730 JTWGQRWOGHKMHB-AWEZNQCLSA-N 383.477 2.598 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 3592675 QVCIRAOIMUTFOQ-UHFFFAOYSA-N 379.844 2.788 0 40 GFAB COc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)cc1OC 4101620 PEGWXSMPPUAIAB-UHFFFAOYSA-N 384.432 2.939 0 40 GFAB COc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)cc1 4107699 VNCTUQDRKKECOD-JTQLQIEISA-N 377.491 2.556 0 40 GFAB CCc1cccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)c1 4316204 IAISLJFUNOYJBG-UHFFFAOYSA-N 376.376 2.858 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 4326052 MTSILGMHOBIKGE-UHFFFAOYSA-N 395.390 2.827 0 40 GFAB Cc1cc(N2CCC[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1 4354284 YHMXMNNTXGBMIH-QGZVFWFLSA-N 376.464 2.777 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4387411 UVQRIPDTBBUCDQ-JMSVASOKSA-N 388.342 2.991 0 40 GFAB COc1ccc2c(C)c(CC(=O)NCc3ccc(OC)c(OC)c3)c(=O)oc2c1 4540676 PWRMFUCNIYBYJJ-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB COCCN(C(=O)/C=C/c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 4749859 KMJCVFZOVJKMLC-KQIUPUNMSA-N 392.304 2.669 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc2c1OCO2 5007691 WBWAIVOSUBOXTM-NTUHNPAUSA-N 393.417 2.802 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)N(C)Cc3ccccc3)C2)cc(OC)c1OC 5030887 CEMKHWWNVLWCGH-IBGZPJMESA-N 384.432 2.864 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Br)c1 5558231 BAENZTSMDWWDOA-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 5558414 IYAAMVPDQVNFIW-UHFFFAOYSA-N 380.491 2.796 0 40 GFAB C[C@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCO2 6100497 QCCHFCXYPLOKIR-NSHDSACASA-N 384.417 2.830 0 40 GFAB CN(C)[C@H](CNC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1 6590891 OVCPAMPITIRWMK-OAQYLSRUSA-N 375.472 2.989 0 40 GFAB CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C 6654662 IOUZEZVWPFROTL-KAMYIIQDSA-N 375.421 2.795 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 6763056 FYUOJIBENXVPKD-KRWDZBQOSA-N 386.517 2.835 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6931450 STZXYKYIMAPQGU-NVXWUHKLSA-N 391.464 2.809 0 40 GFAB CCCNC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7015155 AEZJNJQZOBDJFV-UHFFFAOYSA-N 388.489 2.935 0 40 GFAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1cccc(Br)c1 7069813 AUZJCWJEMQCEMR-UHFFFAOYSA-N 388.225 2.653 0 40 GFAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 7229146 JFZGJXXPJZUJBW-OAQYLSRUSA-N 384.480 2.726 0 40 GFAB COC(=O)c1ccc(COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)o1 7509641 FIXOQEXBHFWJAC-CYBMUJFWSA-N 380.784 2.563 0 40 GFAB Cc1cnc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 7800646 SYIQMNXXPYANBW-UHFFFAOYSA-N 379.507 2.807 0 40 GFAB COc1ccc(OCC(=O)NN2C(=O)c3cccc4cccc(c34)C2=O)cc1 7982601 ULWCMOQRBMLJSM-UHFFFAOYSA-N 376.368 2.555 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc2c(c1)OCCO2 8076345 ILHNLJUUIONFJA-SOFGYWHQSA-N 386.473 2.697 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(N(C)C)cc2)s1 8707819 POIPUXODOSPDNX-UHFFFAOYSA-N 395.550 2.775 0 40 GFAB O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccc2c(c1)OCO2 9573912 KOIMYUQVPNGRHU-UHFFFAOYSA-N 395.444 2.889 0 40 GFAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCCN(C)C 9581852 XATIFDLIQSOGTO-QFIPXVFZSA-N 390.487 2.699 0 40 GFAB O=C(c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCCC1 9663219 RFTQEVFLGXIAOD-KRWDZBQOSA-N 392.459 2.554 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(F)c1 9852879 OGBJADYYPKAGSN-UHFFFAOYSA-N 391.399 2.779 0 40 GFAB CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(=O)[nH]1 9955475 VTLHVSRUJHQCFP-UHFFFAOYSA-N 383.376 2.693 0 40 GFAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2C)c1 10111454 VMOHTPPCXDFQPN-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 11004072 URNZUOOJYAPISC-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB COc1ccc([C@@H](NC(=O)c2cn3c(C)cccc3n2)c2nccn2C)cc1 12520257 RJRCACPQWPGFTL-LJQANCHMSA-N 375.432 2.904 0 40 GFAB COc1cc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 12896092 ZIHVSVOTTDRZRO-SFHVURJKSA-N 397.431 2.543 0 40 GFAB biogenic Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C 13019137 VLRMWYHOAZWYOM-UHFFFAOYSA-N 388.431 2.901 0 40 GFAB O=C(COc1ccc(F)cc1F)NCCCn1nc(-c2ccccc2)ccc1=O 13800177 WKDRMFIFTJAJLE-UHFFFAOYSA-N 399.397 2.774 0 40 GFAB O=C([C@@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1)N1CCCCC1 14167598 YILFZMNGJKLHAL-INIZCTEOSA-N 392.502 2.717 0 40 GFAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 16246753 WZHXSPWZDFLGBW-DGAVXFQQSA-N 381.450 2.694 0 40 GFAB COc1ccccc1CC(=O)N1CCC([C@H](NC(C)=O)c2ccccn2)CC1 19020400 OAWLBTQLAUKHSR-QFIPXVFZSA-N 381.476 2.749 0 40 GFAB Cc1cccc(C2(CNS(=O)(=O)c3cnn(C(F)F)c3C)CCOCC2)c1 19234567 KDDMQVGFYSDTEG-UHFFFAOYSA-N 399.463 2.922 0 40 GFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(c2nc(C)cc(C)n2)CCO1 19702686 BLRVSEGUQRJSRT-CQSZACIVSA-N 383.477 2.641 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1ccc(F)cc1 20021770 IKJJPJLTAYWSNN-UHFFFAOYSA-N 394.468 2.516 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 20495072 PQSBOYQJCYHKNN-GOSISDBHSA-N 394.468 2.868 0 40 GFAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4ccccc4)n3)ccc12 20731233 SSMRURYGAREJSZ-UHFFFAOYSA-N 391.383 2.993 0 40 GFAB biogenic O=C(Cc1ccc(F)cc1)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 21724960 KWIMDJGBAIYJEB-UHFFFAOYSA-N 380.423 2.763 0 40 GFAB COc1ccccc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 22362737 MUNNYJVVZWCRKU-KRWDZBQOSA-N 388.489 2.655 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 25277369 LZAOKBYSQBTOHT-UHFFFAOYSA-N 396.403 2.589 0 40 GFAB CCCOc1ccccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 26912259 IORPMZYNEPOPCB-UHFFFAOYSA-N 377.485 2.967 0 40 GFAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30506955 MWJVPMJAMGNZSA-ZDUSSCGKSA-N 382.342 2.658 0 40 GFAB Cc1cc(N2CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)nc(C(C)C)n1 32879806 QIQOJZITDJIXGG-UHFFFAOYSA-N 376.892 2.566 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)ccc1C 32879861 REROBJGVWKOYJT-MRXNPFEDSA-N 376.503 2.867 0 40 GFAB O=C(/C=C/c1ccccc1)NCCn1ncc2c(NCc3ccco3)ncnc21 38484305 RDEAEUBVQOKUIO-CMDGGOBGSA-N 388.431 2.861 0 40 GFAB O=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)NCc1cccs1 38668131 BXRYFGMMSVCGNB-UHFFFAOYSA-N 389.477 2.986 0 40 GFAB CCc1nnc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)s1 40128759 HTERFYFIKQBAAS-UHFFFAOYSA-N 377.451 2.892 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cn2)C[C@@H](C)O1 40142653 GPICVMRHUXWKFT-HZPDHXFCSA-N 392.463 2.587 0 40 GFAB C[C@H](NC(=O)C(=O)NCC1CCN(Cc2ccsc2)CC1)c1ccccc1 43940934 FMAMBWUXGXAPFY-INIZCTEOSA-N 385.533 2.954 0 40 GFAB COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)NC(=O)NC4CC4)CC3)c2c1 47257165 CIICQPZEHKONMD-CYBMUJFWSA-N 382.464 2.642 0 40 GFAB CCOCCOc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1 48299542 PVUPUUPSLZCBHD-KRWDZBQOSA-N 384.542 2.502 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCN(c2ccccc2)CC1 48485506 IVNMFYQOZKMFQE-UHFFFAOYSA-N 394.475 2.513 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 48513564 URMOJCSIIOEDCG-JSGCOSHPSA-N 388.493 2.998 0 40 GFAB Cc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 52415922 FHFXIVLBHASKHK-VIFPVBQESA-N 376.356 2.651 0 40 GFAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cc(Br)cs1 52847917 DCPUTEKWDHVLRZ-VIFPVBQESA-N 376.320 2.955 0 40 GFAB COCCNC(=O)c1ccc(NCC(=O)N2CCCCCCC2)cc1Cl 55875188 LOVRJGOFIYHTBV-UHFFFAOYSA-N 381.904 2.921 0 40 GFAB CCn1c(SCC(=O)NCc2ccc(F)cc2F)nc2cc(C)[nH]c2c1=O 57522094 HDRLCNATHHPZCK-UHFFFAOYSA-N 392.431 2.740 0 40 GFAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670313 MTBYCWDSMMTWQY-VQIMIIECSA-N 388.491 2.655 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CN(C)CCOc3cccc(C)c3)nc2c1 58290567 DGXJLVVQLJDRFO-UHFFFAOYSA-N 381.432 2.529 0 40 GFAB Cc1[nH]c2ccc(CNS(=O)(=O)c3ccccc3S(C)(=O)=O)cc2c1C 65011709 FJKDUVNSMUKWOX-UHFFFAOYSA-N 392.502 2.667 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC 70666342 OQPSBMRPJFFTMJ-INIZCTEOSA-N 389.448 2.747 0 40 GFAB biogenic C[C@H](CC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1ccnc1 72327796 KXGGTRQPRFAFOQ-CDMIOBSGSA-N 396.491 2.855 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72358031 IXEAVXNOOYYHKS-OAQYLSRUSA-N 383.467 2.807 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3coc(NC(=O)C4CCC4)n3)CC2)cc1 77101398 RNBSHSVMZXAIRG-UHFFFAOYSA-N 396.447 2.578 0 40 GFAB O=c1cc2c(nn1CN1CCN(Cc3cccc(Cl)c3)CC1)CCCCC2 79488840 IZKMJTPWBKTJMX-UHFFFAOYSA-N 386.927 2.941 0 40 GFAB CN(C)c1ccc([C@H](O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 90611876 QVGKHKQOSYJNQX-MRXNPFEDSA-N 388.411 2.783 0 40 GFAB CCCc1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1 96001775 HPJPYPVDBXEXKQ-QGZVFWFLSA-N 381.436 2.636 0 40 GFAB CSCC[C@H](NC(=O)c1nn(C)c2ccccc12)c1nnc2ccccn12 96118359 HZIFECREYAOULT-AWEZNQCLSA-N 380.477 2.840 0 40 GFAB Cn1nc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)ccc1=O 96119726 YAIUFCMIYSHNAW-UHFFFAOYSA-N 393.428 2.735 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2C)cc1 96347440 AFTTVJCJROUUCK-UHFFFAOYSA-N 390.399 2.534 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc(F)c1 96520162 ZUJKRYORPCJBLT-VHSXEESVSA-N 392.617 2.621 0 40 GFAB COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)CC1 100570920 XVDULJGHVNITJW-FQEVSTJZSA-N 393.487 2.766 0 40 GFAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101277160 VYQYYGKTJRHTTH-MJBXVCDLSA-N 388.530 2.640 0 40 GFAB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(F)cc1 113887346 NARGECQXYKPZDL-UHFFFAOYSA-N 381.425 2.983 0 40 GFAB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 113893459 WMDMPXUUDGJLAI-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 222663084 YGRHUHIIEPSTAO-HNNXBMFYSA-N 376.478 2.805 0 40 GFAB CCOc1ccc(N(CC(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1 223653424 VISWXMHQNUMXOY-UHFFFAOYSA-N 392.477 2.636 0 40 GFAB CN(C)c1cnnc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 224308234 MJLUBZYVWAIUHY-UHFFFAOYSA-N 380.279 2.812 0 40 GFAB Cc1ccnc(NC(=S)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 225227274 PSBSRGQXMXJMQF-UHFFFAOYSA-N 390.534 2.661 0 40 GFAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC(C)CC2)n1 225879162 LFMGAIFKVCVBME-UHFFFAOYSA-N 375.527 2.570 0 40 GFAB C[C@H]1C(=O)[C@@]23[C@H]4C[C@@H]5C(C)(C)CC[C@@H](O)[C@@]5(C)[C@H]2[C@@H](O)C[C@@H]1[C@H]3OC(C)(C)O4 245239770 MDODVBXGWQIKBY-SEYZUOSASA-N 392.536 2.916 0 40 GFAB Cc1nn(C)cc1S(=O)(=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257290349 QCPAOIPNFCFVQI-LZWOXQAQSA-N 395.912 2.860 0 40 GFAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN(C)Cc1ccccc1F 257316836 VHFOCESLRPTLEC-ZJDLJICXSA-N 387.499 2.648 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1C 408601209 AMKIXEJEXVYHHE-CVEARBPZSA-N 390.505 2.938 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 408711056 RZJSTQNQLBFTNR-HUUCEWRRSA-N 388.489 2.591 0 40 GFAB O=C1CC[C@@H](c2cccc(NC(=O)N[C@H]3CCN(c4ccccc4)C3=O)c2)N1 568608633 QGIIVCINPOAGTC-ROUUACIJSA-N 378.432 2.565 0 40 GFAB COc1ccn2c(C(=O)N3CCC[C@H](c4ncc5n4CCCC5)C3)cnc2c1 570082557 NDOCBJXWJJVBJD-HNNXBMFYSA-N 379.464 2.896 0 40 GFAB C[C@H]1CCCN(C[C@H]2CC3(CCN(S(=O)(=O)c4ccccc4)CC3)CO2)C1 585103105 DAUUMTSXCGXEHK-RBUKOAKNSA-N 392.565 2.978 0 40 GFAB O=C(Cc1cccc(O)c1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111145 GPNSHDDUHIZNCK-HXUWFJFHSA-N 377.444 2.610 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188720 LFBXAOJAMVIOIK-LLVKDONJSA-N 397.859 2.776 0 40 GFAB COC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(OC)c(O)c1 613833668 ZUUTUUQLXXKYFS-IBGZPJMESA-N 386.379 2.594 0 40 GFAB O=C(C[C@H](n1cccn1)C(F)(F)F)N1Cc2cnnn2Cc2ccccc21 613868513 WRXRIHMLCRXQTQ-HNNXBMFYSA-N 376.342 2.563 0 40 GFAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)c2ccccc21 630420861 IIMNXGHBNUTNIQ-MRXNPFEDSA-N 375.450 2.765 0 40 GFAB COc1cc(CC2CN(C[C@@H](O)CN(C)Cc3ccccc3)C2)cc(OC)c1 680534990 GNFGOFXVTUSJRI-NRFANRHFSA-N 384.520 2.671 0 40 GFAB Cc1ccc(C(=O)N(C)C2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)s1 1565523322 KMAFGGCJXRNSJH-UHFFFAOYSA-N 384.509 2.753 0 40 GFAB Cc1ccc(CC(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)cc1 1565542420 WSXZQIPMBWGCHE-UHFFFAOYSA-N 379.504 2.826 0 40 GFAB O=S(=O)(c1cnc(NCCC2(O)CCC2)c(C(F)(F)F)c1)N1CCCC1 1615053419 SKRMIUAPLRLYGK-UHFFFAOYSA-N 393.431 2.602 0 40 GFAB COc1ccc(COCCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ccccc2F)cc1 1615612318 WJGOEWDFWXWLMP-TYCQWZJGSA-N 384.451 2.854 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)cn1C 1775969786 LDMMSXANGHOCNT-CYBMUJFWSA-N 395.506 2.877 0 40 GFAB O=C(c1ccncc1F)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888844419 WKAWPTDHQPNCOK-VXGBXAGGSA-N 380.345 2.843 0 40 GFAB Cn1c(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)nc2ccccc2c1=O 1888882201 DIPZEICWSPPTJI-UHFFFAOYSA-N 376.338 2.615 0 40 GFAB CN(c1ccccn1)C1CCN(C(=O)c2cncc(Br)c2)CC1 1889130337 AXKNHXRRXHLKIF-UHFFFAOYSA-N 375.270 2.980 0 40 GFAB Cc1ncsc1CN[C@H]1CCc2onc(CNC(=O)C3CC(F)(F)C3)c2C1 2055729717 BRSOENDRPYCMFN-LBPRGKRZSA-N 396.463 2.748 0 40 GFAB Cc1ccc(Cl)c2sc(N3CCN(c4ccc(=O)n(C)n4)CC3)nc12 2087000747 ROUSGFRUNONSGR-UHFFFAOYSA-N 375.885 2.678 0 40 GFAB Cc1nccn1-c1cccc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 2298070646 YCIGDMWEGKWQMT-UHFFFAOYSA-N 375.480 2.571 0 40 GFAB CC(C)[C@@H]1Nc2ccccc2C(=O)N1CCC(=O)N=c1[nH]c2ccccc2[nH]1 61718900 PSVHXQGAICARJW-LJQANCHMSA-N 377.448 2.863 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCCC3)nnc12 1331734 WQMADGDLKOLOHO-UHFFFAOYSA-N 385.493 2.559 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 1531883 ZGLXUQQMLLIKAN-MRFFXTKBSA-N 398.411 2.918 0 40 GFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(F)(F)F)cc2)n1 1856224 KYYKFZMKHPTGLP-UHFFFAOYSA-N 389.359 2.536 0 40 GFAB CC[C@H]1Oc2ccccc2N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O 2934015 NWFATAPITMPNDI-QGZVFWFLSA-N 398.459 2.567 0 40 GFAB Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCc3ccccc3)cc2c1 4131223 AFAYWKQTLMKWKJ-UHFFFAOYSA-N 395.528 2.748 0 40 GFAB CC[C@H](OC(=O)c1cc2occc2n1C)C(=O)NCc1ccc2c(c1)OCO2 4967190 WAAOMJLADQJQSX-HNNXBMFYSA-N 384.388 2.752 0 40 GFAB COCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 6450671 MOJRNCYZTDOKED-UHFFFAOYSA-N 396.896 2.606 0 40 GFAB O=C(COC(=O)c1ccc(Br)o1)Nc1nnc(-c2ccccc2)o1 6612333 DUSOZMNGBUIAPC-UHFFFAOYSA-N 392.165 2.888 0 40 GFAB Cc1cccn2c(=O)cc(CN3CCC(C(=O)Nc4ccccc4)CC3)nc12 24855948 MEIADTIIDOPFTK-UHFFFAOYSA-N 376.460 2.854 0 40 GFAB Cc1ccc(-c2cc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)on2)cc1 34886403 WYUIFLROIRBOCJ-UHFFFAOYSA-N 394.431 2.640 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1C 20016183 OYBFPFSJSJHGIM-ZDUSSCGKSA-N 380.441 2.757 0 40 GFAB CCc1cccc(NC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c1 57507367 LOVNXXROGQJCBB-UHFFFAOYSA-N 388.431 2.836 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 119964008 HDVYFTZZXMCJBJ-UHFFFAOYSA-N 388.489 2.686 0 40 GFAB CCn1nc(C)c(C(=O)N2CCC[C@H](c3cc4nc(C)cc(O)n4n3)C2)c1C 100137893 NOVKFXQLVFDTKF-HNNXBMFYSA-N 382.468 2.596 0 40 GFAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2cccnc2)Oc2ccccc21 100179787 CSOMFKMFUCXVEM-QCMGHPBJSA-N 377.444 2.653 0 40 GFAB O=C(CCCNC(=O)c1ccsc1)NCc1ccc(Cn2cccn2)cc1 12626309 WKGCYNPPIAXTCH-UHFFFAOYSA-N 382.489 2.819 0 40 GFAB COc1ccc(CCN2C[C@@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1OC 28000675 BTCJJDGJCJKTIK-HNNXBMFYSA-N 386.423 2.873 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 58417548 ZPWTZYKEUSWUEN-YGRLFVJLSA-N 378.837 2.851 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 48164036 ICDIKJVLNYCCBL-INIZCTEOSA-N 388.431 2.752 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccoc2)N2CCCCC2)cc1 48185840 MEZBYMFBZBHBGY-UZLBHIALSA-N 399.491 2.750 0 40 GFAB CC(C)c1ccc(CN(C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 12760820 ONOWHCPCNCVMDK-FQEVSTJZSA-N 381.476 2.521 0 40 GFAB COCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 12760701 XACKZJNVPPUKBW-UHFFFAOYSA-N 380.441 2.701 0 40 GFAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1 11130936 IQIJSVHUMFBPJC-JTQLQIEISA-N 391.424 2.791 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1 3319300 PIWYCUMSWNQTQW-UHFFFAOYSA-N 378.856 2.620 0 40 GFAB aggregator COC(=O)c1ccc(CN(C)S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 45932924 DGOSMUDBWPRULJ-JXFKEZNVSA-N 393.505 2.630 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3325551 YJFZCMPVKHDDFW-CQSZACIVSA-N 392.506 2.597 0 40 GFAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c1Cl 2644735 WNKUVVRHKIEJJO-UHFFFAOYSA-N 397.218 2.983 0 40 GFAB CCOCCOCC(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1 48324772 QTCSJMNCZIFDGF-UHFFFAOYSA-N 376.375 2.589 0 40 GFAB O=C(CCNC(=O)c1cccs1)Nc1ccccc1C(=O)NCC(F)(F)F 12811698 AORLEBARLPJHDQ-UHFFFAOYSA-N 399.394 2.799 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCO3)c(C)c1 13090206 KXEOMNOYRWGXDU-UHFFFAOYSA-N 377.418 2.882 0 40 GFAB COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71284279 USGLRNUNCIAPED-CHWSQXEVSA-N 389.433 2.699 0 40 GFAB CCOC(=O)C[C@@H](c1ccccc1OC(C)C)c1oc(CO)cc(=O)c1O 71279141 KAORVYRVRJEKBM-HNNXBMFYSA-N 376.405 2.710 0 40 GFAB Cc1cc(C)cc(CCC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 96001748 XGIRWIRCFOJUQA-SFHVURJKSA-N 395.463 2.620 0 40 GFAB CNC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)cc1 14227977 NBEUWYGIOWESAZ-HNNXBMFYSA-N 389.455 2.885 0 40 GFAB COc1cccc([C@H]2C=C(c3ccccc3)Oc3c2c(=O)n(C)c(=O)n3C)c1 5482735 NGBBHHSOJVHWQR-QGZVFWFLSA-N 376.412 2.658 0 40 GFAB CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C(=O)N1CCCC1 5473527 QVTZKRLAUGQJPH-KKUMJFAQSA-N 398.381 2.692 0 40 GFAB COC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 24478287 YSOZFHLUEDSBGE-UHFFFAOYSA-N 377.437 2.721 0 40 GFAB O=C(NCCc1ccccn1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 6507438 SDMRFQAGBPOJLZ-UHFFFAOYSA-N 399.447 2.994 0 40 GFAB COc1cc(-c2nnc(CSc3cccc[n+]3[O-])o2)cc(OC)c1OC 6578734 AOAAHECEAGGAJY-UHFFFAOYSA-N 375.406 2.688 0 40 GFAB CCC1(COC(=O)N[C@@](Oc2ccccc2)(C(=O)OC)C(F)(F)F)COC1 4785913 LJERGJXMZGEKFQ-MRXNPFEDSA-N 391.342 2.650 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 6822300 FRVGTIURKSYSJV-UHFFFAOYSA-N 379.526 2.601 0 40 GFAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 67285539 CMPXONUQKAAQKP-QGZVFWFLSA-N 377.872 2.853 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 8521039 SZQTUTKZZLJKCH-OAHLLOKOSA-N 399.559 2.743 0 40 GFAB CCN1CCN(c2ccc(NC(=O)CNC(=O)c3cccs3)cc2C)CC1 9604125 VBDHAGQOHRZZMA-UHFFFAOYSA-N 386.521 2.567 0 40 GFAB NC(=O)COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8751458 RWZXEFBMAAOVCZ-GOSISDBHSA-N 396.443 2.689 0 40 GFAB O=c1[nH]c2ccccc2n1C1CCN(C[C@@H](O)COCc2cccs2)CC1 70869209 AIVDIAZYNRSEGW-MRXNPFEDSA-N 387.505 2.606 0 40 GFAB Nn1c(SCC(=O)NC2c3ccccc3-c3ccccc32)nnc1C1CC1 9801353 CJTKMRRYEJSCDX-UHFFFAOYSA-N 377.473 2.848 0 40 GFAB CC[C@@](C)(NC(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)c1ccccc1 72271545 DGQCIHNSLJHJQF-JOCHJYFZSA-N 397.475 2.965 0 40 GFAB C[S@@](=O)c1c(Cl)cccc1NC(=O)CCn1ncc(=O)c2ccccc21 72310017 HEAIENBKGQYPMJ-SANMLTNESA-N 389.864 2.816 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1)OCO2 85413067 FDDZEVDOKLZXDP-HNAYVOBHSA-N 396.351 2.596 0 40 GFAB CN1CC(=O)Nc2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)cnc21 1515124813 ODFXJDCSLRDVRW-UHFFFAOYSA-N 382.317 2.558 0 40 GFAB COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)C5CC5)CCO4)nnn3c2)cc1 306136912 QGLWUNVWHBWKQV-IBGZPJMESA-N 378.432 2.715 0 40 GFAB CC(=O)N1CCN(C(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)CC1 30819478 JZXSDTDUKDEVEA-UHFFFAOYSA-N 396.443 2.779 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCCC2)cc1 408596243 RVJXDMWKVJJLMS-OAHLLOKOSA-N 382.526 2.981 0 40 GFAB COc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cn1 25258273 ZISCPANZGWSKTR-CYBMUJFWSA-N 393.241 2.591 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4ccco4)CC3)O2)cc1 306134607 NTMLDRYZCPOYEA-NRFANRHFSA-N 397.519 2.570 0 40 GFAB CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cn(C(F)F)nc1C 36614939 BQFCURAMPOZPIT-UHFFFAOYSA-N 375.445 2.631 0 40 GFAB Cc1nnnn1-c1cccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c1 71285123 SVVYMMPSZHTOCR-UHFFFAOYSA-N 397.866 2.748 0 40 GFAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c1O 31860766 RBEXOAWNMJODKC-YIKPVDIZSA-N 399.443 2.948 0 40 GFAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccc4nc[nH]c4c3)c2)cc1 1569388039 IQRJFTJHYKYVTN-UHFFFAOYSA-N 394.456 2.840 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@@H]2Cc2ccccc2)cc1 25359577 UPPZBKUTCHTHHC-HXUWFJFHSA-N 395.503 2.611 0 40 GFAB CCCNc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)O 217617730 PHVJTDRQRRBFRF-UHFFFAOYSA-N 392.477 2.736 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCCn1ccc2ccc(Cl)cc21 71285317 QAMDFQDJZNRZCI-UHFFFAOYSA-N 380.835 2.821 0 40 GFAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCN1CCOCC1 40287417 PTIFISATHKLMFM-JXAWBTAJSA-N 380.444 2.899 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)Cc1ccccc1F 224822223 GGGZFBOZMBARMH-UHFFFAOYSA-N 376.453 2.567 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)N2CCS/C2=C/c2cccs2)CC1 225232721 IJTGEZFFQHGNTR-NTCAYCPXSA-N 386.564 2.684 0 40 GFAB COC(=O)c1cn(S(=O)(=O)c2cc(OC)ccc2OC)c2ccccc12 222644482 QOPRHHMRTSWECR-UHFFFAOYSA-N 375.402 2.682 0 40 GFAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892757 BTLYMCZASRHCHM-UHFFFAOYSA-N 378.450 2.877 0 40 GFAB C=C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 195754019 JCJXEBAQTMCZGK-UHFFFAOYSA-N 377.075 2.882 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)CCc3ccccc3)C2)C1 96225011 QSOJNIAKKNVZLV-JOCHJYFZSA-N 392.459 2.790 0 40 GFAB O=C(Cc1csc(-c2nc[nH]n2)n1)N1CCC[C@@H]1COc1ccc(F)cc1 585080162 WIBWOIHQWHYGQW-CQSZACIVSA-N 387.440 2.680 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1ccco1)NC2=O 247957499 PDUFOBXTUSCOGH-PREVHVLTSA-N 396.443 2.859 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 245229641 CIHMSIAVMKQSTN-KUHUBIRLSA-N 387.480 2.741 0 40 GFAB CCCCC[C@]1(O)CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1O 257334452 YFYFNBJOKZPYMY-PXNSSMCTSA-N 397.899 2.558 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2cn(C)cn2)C1 257257832 KRGUBKPUSLCEAD-INIZCTEOSA-N 395.511 2.928 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257334580 YGNSGHFACNHAKB-KRWDZBQOSA-N 396.426 2.615 0 40 GFAB NC(=O)c1cc2cc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)ccc2[nH]1 1673637961 AINCNQXYOYGVRG-QGZVFWFLSA-N 377.448 2.663 0 40 GFAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 647707244 ZMDLUCNUWRBXPU-CHWSQXEVSA-N 397.953 2.735 0 40 GFAB CCc1cnc(O)c(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 668159382 UTXIXKDBPXZZFJ-UHFFFAOYSA-N 391.830 2.740 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575402746 GLLHQDVFGYRHDF-IBGZPJMESA-N 389.517 2.860 0 40 GFAB COC[C@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1Cc1cccnc1 585103739 OAVOYDLAPKLRLV-GOSISDBHSA-N 375.488 2.803 0 40 GFAB Cc1c(C(=O)N[C@H](C)C(C)(C)C)cc(Br)cc1S(N)(=O)=O 72310168 FJPDBJHTZXUOQZ-SECBINFHSA-N 377.304 2.569 0 40 GFAB O=C(CNC(=O)OCC(F)(F)F)OCc1nc2ccccc2n1C(F)F 52170212 NOEZPGJRVPDOFP-UHFFFAOYSA-N 381.257 2.763 0 40 GFAB O=C(CCSc1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 90609147 KNFGUXCOQBWDKM-KRWDZBQOSA-N 380.579 2.835 0 40 GFAB Cn1ccnc1CN1CCN(C(=O)c2cnccc2Oc2ccccc2)CC1 548865371 GMUZUADTDOJEPF-UHFFFAOYSA-N 377.448 2.565 0 40 GFAB CCN(CC)C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 5959955 CSOZFQNIRQIDGF-UHFFFAOYSA-N 384.432 2.620 0 40 GFAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 12115931 SNMQUCWCZJVZLT-CQSZACIVSA-N 385.493 2.930 0 40 GFAB O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)NCCc1c[nH]cn1 12663626 CBKZJHVWCONFDE-UHFFFAOYSA-N 389.411 2.921 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 12918340 QSPMCUAHRDTWIQ-LZLYRXPVSA-N 395.521 2.785 0 40 GFAB COc1ccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1Cl 13632781 CJRHZODHRGGDQP-UHFFFAOYSA-N 382.869 2.778 0 40 GFAB CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19499810 ROQVCIKIWWOHOQ-CVEARBPZSA-N 399.539 2.954 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCCC3)nc(N(C)C)c2C1 19710356 SEGYSMXDADFSMM-LJQANCHMSA-N 399.539 2.691 0 40 GFAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc4c(c3C2)c(=O)n(C)c(=O)n4C)cc1 19821126 NBMVZWDPUMQFBC-HNNXBMFYSA-N 377.444 2.668 0 40 GFAB COc1ccc(OC)c(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 19947248 KWAKEPPBFWMHCO-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)n(C)n1 1888897117 DQUZPPLKFJHLEJ-IRXDYDNUSA-N 392.507 2.868 0 40 GFAB O=C(c1cncc(Br)c1)N1CC[C@H](COc2ccc(F)cn2)C1 1889136323 LUUZBPYDTNZEQS-NSHDSACASA-N 380.217 2.919 0 40 GFAB COc1ccc(CCS(=O)(=O)NCCc2ccc(-c3ccnn3C)cc2)cc1 1889300383 HPLPEYBYZVSPAX-UHFFFAOYSA-N 399.516 2.800 0 40 GFAB CC(=O)N1C[C@@H](C(=O)Nc2ccccc2N2CCCC2=O)Oc2ccccc21 21600123 VSLAMZKZDOFCAI-IBGZPJMESA-N 379.416 2.566 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841143 XZQRHYFMGKGLAO-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB O=C(CCc1ccccc1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985708 STRYPVGWTLGLMB-HSZRJFAPSA-N 378.472 2.901 0 40 GFAB CCS(=O)(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(C)c3)CC2)CO1 2056225533 PPQADTNHAVKREJ-IBGZPJMESA-N 380.554 2.696 0 40 GFAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1nnsc1C1CC1 1614939457 ROLZWLPKIXXTAI-MRXNPFEDSA-N 395.488 2.704 0 40 GFAB CC(C)N1Cc2ccccc2CC2(CCN(C(=O)c3ccnn3C)CC2)C1=O 1565543365 DDSSJXZPZCJDNN-UHFFFAOYSA-N 380.492 2.636 0 40 GFAB COc1ccc(N2C(=O)N(c3cccc(C)c3C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4387464 RCDXQGIDBCMNIK-OALUTQOASA-N 386.473 2.924 0 40 GFAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cc2ccccc2oc1=O 5075874 AGSVCIZMVDAETF-UHFFFAOYSA-N 384.413 2.585 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 17113018 FHRSXBPGCFRTDP-UHFFFAOYSA-N 387.461 2.967 0 40 GFAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21 17287047 UETAOUYLAVESGJ-UHFFFAOYSA-N 394.518 2.980 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(COc3ccc(C)nn3)CC2)cc1C 1775969884 QKJSQFBNHYTZOJ-UHFFFAOYSA-N 391.493 2.582 0 40 GFAB Cn1nc(-c2ccccn2)cc1CNC(=O)c1cc(-c2ccc(F)cc2)nn1C 1775966625 PYRNPVSDVOJAFV-UHFFFAOYSA-N 390.422 2.952 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 10383873 VFOSGLKZHFVPSS-CHAHAOGTSA-N 379.541 2.855 0 40 GFAB CC1(C)NC(=O)N(CCCSc2nc(C3CC3)n(-c3ccccc3)n2)C1=O 40089647 SVJUVQSGBSHYBX-UHFFFAOYSA-N 385.493 2.957 0 40 GFAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc1 30437670 RNJNSCFOPFIPKU-UHFFFAOYSA-N 392.459 2.631 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H](c1ccco1)N1CCCCC1 40120913 DAXYVNBMUZDRGV-KRWDZBQOSA-N 382.526 2.670 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1 40145673 AEDSBJVXJACPJG-INIZCTEOSA-N 378.498 2.913 0 40 GFAB COc1ccc(CCN(C(C)=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 100728086 BNABNXYHGIGSGP-IBGZPJMESA-N 384.407 2.557 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)s1 32774313 ZPJYOEKMIZUREW-SNVBAGLBSA-N 382.388 2.635 0 40 GFAB COc1cc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc(OC)c1OC 8939247 WILOJBGCGWEEPF-UHFFFAOYSA-N 384.388 2.739 0 40 GFAB C[C@@H](NNC(=S)N1CCN(c2ccccn2)CC1)c1nccc2ccccc12 1582545 KLYOLLLMOLFUSQ-MRXNPFEDSA-N 392.532 2.892 0 40 GFAB O=C(Nc1ccc(F)c(-n2cccc2)c1)C(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 79023535 UOJTWUYOGNUEAW-SJORKVTESA-N 381.411 2.661 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)Nc2cc(Cl)ccc2C)nc1N 892294 GMKLXDUWLUNNDT-UHFFFAOYSA-N 380.857 2.928 0 40 GFAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(OCc3cccnc3)cc2)C1 23114377 IJMCZQGVWTXGAS-NRFANRHFSA-N 383.492 2.747 0 40 GFAB COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1 4169311 KVBHLAGHHLPUGL-UHFFFAOYSA-N 399.476 2.726 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)c1 7940139 IWYJTLFHSCTBQW-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CC(C)C 10233655 XVGCSMQYPCCXQN-UHFFFAOYSA-N 397.454 2.610 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(F)c1 25160131 XNONRFVTIONTER-IBGZPJMESA-N 378.407 2.963 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1OC 3282402 QGKLCZBXAQDCLQ-UHFFFAOYSA-N 388.420 2.574 0 40 GFAB Cn1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O 26063296 UEEHQXXSGWEHGF-UHFFFAOYSA-N 377.322 2.762 0 40 GFAB NC(=O)COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 57259054 MTOHNPUCLKOYFH-NRFANRHFSA-N 375.428 2.598 0 40 GFAB COc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 57355209 ANWSBUUTFLMDSI-MRXNPFEDSA-N 397.475 2.616 0 40 GFAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 27023602 DLBWPGXSFHCDPJ-UHFFFAOYSA-N 377.447 2.906 0 40 GFAB Cc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738280 YQPJHKVPMBSFSE-WOJBJXKFSA-N 379.504 2.987 0 40 GFAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1 58007762 OVJROBMZMSOYRR-QUCCMNQESA-N 382.460 2.596 0 40 GFAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN1C(=O)c1ccco1 48278944 CYAXLGUPESDRKS-SFHVURJKSA-N 396.491 2.976 0 40 GFAB Cc1cc(N2CCN(CC(=O)N(C)Cc3ccsc3)CC2)nc(C(C)C)n1 27545496 SOQJXJQAEZTNHS-UHFFFAOYSA-N 387.553 2.751 0 40 GFAB CN(Cc1ccccc1)C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 107788925 WLIZXWSMWLTTQV-UHFFFAOYSA-N 380.897 2.760 0 40 GFAB O=C(Cn1ncc(-c2cccs2)nc1=O)Nc1ccc(Br)cc1 44804328 HYBHVFMWFZRVEF-UHFFFAOYSA-N 391.250 2.768 0 40 GFAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2cccc(Cl)c2)c2ccccc21 44900456 GJPJONDZODAKFM-KRWDZBQOSA-N 385.851 2.569 0 40 GFAB CCOc1ccc(N2C(=O)C(=O)N(Cc3c(C)noc3C)C2=O)cc1OCC 12746655 VUJGOOAVBMMMMM-UHFFFAOYSA-N 387.392 2.584 0 40 GFAB Cc1csc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)n1 29885575 YLKGBOZWAVVOGX-NSHDSACASA-N 394.294 2.883 0 40 GFAB COCCN(C)C(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc(C(C)C)c2)C1 58370790 QWSHBFLJAPPFAT-PKOBYXMFSA-N 390.524 2.921 0 40 GFAB Cc1cc(C)n2nc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)nc2n1 3397408 OEUIJTUUDLUAFW-UHFFFAOYSA-N 384.871 2.665 0 40 GFAB O=C(NCc1ccco1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100837825 NTXAEMXTNHARBB-YRYYUTHUSA-N 388.423 2.767 0 40 GFAB Cc1ccc2oc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc(=O)c2c1 11529682 YXXJGNWJBVEBBL-UHFFFAOYSA-N 380.400 2.729 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2)n1 2646095 HRZCXZDAVIXILS-UHFFFAOYSA-N 398.488 2.992 0 40 GFAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c1 3456819 DFQHRCVPMFAXRV-LJQANCHMSA-N 387.823 2.754 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC2CCCC2)C1=O 3563640 YOSBRXZSMQZFQF-KRWDZBQOSA-N 384.263 2.819 0 40 GFAB O=C(CCc1ccc2c(c1)OCCO2)O[C@H](C(=O)NC1CC1)c1ccccc1 12949410 FGIROXOUMBHKKC-NRFANRHFSA-N 381.428 2.954 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12921955 WEYSAOAFOLENEE-KRWDZBQOSA-N 387.457 2.839 0 40 GFAB O=C1COc2ccc(C(=O)COC(=O)CSCc3ccc(F)cc3)cc2N1 13000696 XNBMIYUYDPOVRM-UHFFFAOYSA-N 389.404 2.816 0 40 GFAB COC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)sc(C)c1C 9184592 DRKSDIWSHIPAOM-UHFFFAOYSA-N 399.472 2.930 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1C 408606922 PJPNMIKQYKLWBV-UHFFFAOYSA-N 380.510 2.540 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc3c(c2)OCO3)n1 19542014 ZJOLDSQAEHYYOZ-UHFFFAOYSA-N 378.436 2.867 0 40 GFAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccco2)CC1 306125974 DHUTUQAJQDWMKK-UHFFFAOYSA-N 399.495 2.516 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3ccccc3)CS[C@H]21 4081141 XQESBKKCSCRRPV-YCRPNKLZSA-N 398.484 2.633 0 40 GFAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1C 4195107 KIUGNNGUOVEJQC-GFCCVEGCSA-N 384.432 2.943 0 40 GFAB NC(=O)NCCCCC(=O)NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 96011877 FOSCRMKXJRMQAV-LJQANCHMSA-N 394.475 2.801 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 96000038 GUMMHYGAHWLXMI-HNNXBMFYSA-N 385.468 2.702 0 40 GFAB Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)CC(=O)N2CCCC2)c1Cl 14093199 WBEQZBRPQCCCJZ-UHFFFAOYSA-N 379.309 2.853 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 4502600 CNDKCLVEEXSSEI-UHFFFAOYSA-N 388.807 2.881 0 40 GFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1cc(=O)n2ccccc2n1 14756668 MFNSLFQHFIPZHB-UHFFFAOYSA-N 399.834 2.601 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1 5632732 RTXQQHKQKCGVBJ-UHFFFAOYSA-N 388.420 2.861 0 40 GFAB O=C(Nc1ccccc1F)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 6788460 XNONDYBIISHXNB-UHFFFAOYSA-N 387.436 2.625 0 40 GFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 6998394 PIQDMUNQHPBNPU-INIZCTEOSA-N 388.851 2.806 0 40 GFAB CNC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 67254918 WIYKZRPNXHIQPY-QGZVFWFLSA-N 375.375 2.930 0 40 GFAB Cc1nn(Cn2ccc(C(=O)N3CCCCCC3)n2)c(C)c1Br 28233572 UFJWMKLGCJDLPC-UHFFFAOYSA-N 380.290 2.981 0 40 GFAB Cc1csc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 7196041 CEYBZAWZGDJXJV-LLVKDONJSA-N 385.536 2.821 0 40 GFAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NC1CCCC1 408573420 SSIATARHUKXBIH-UHFFFAOYSA-N 381.476 2.895 0 40 GFAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCCCN1CCCC1=O 7784216 YTYJEVSQUZVNTJ-UHFFFAOYSA-N 395.834 2.975 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C)OCO2 7986758 BQUNISFVHLKHGP-NRFANRHFSA-N 396.443 2.940 0 40 GFAB O=C(c1ccc2c(c1)CCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 8191524 NSBINTVNMBZJPM-UHFFFAOYSA-N 390.530 2.774 0 40 GFAB O=C(CSc1nnnn1-c1cccc(F)c1)c1cccc(N2CCCC2=O)c1 8176681 KJNWFQAKRNMZAU-UHFFFAOYSA-N 397.435 2.903 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2c[nH]c3ccccc23)C1=O 8158150 WRSJAFNXVUNOGP-NRFANRHFSA-N 376.416 2.599 0 40 GFAB CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 17012037 DHRHGKFESOLTBJ-HZMBPMFUSA-N 386.420 2.882 0 40 GFAB Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl 8590578 XYHWVYGEESHQOJ-UHFFFAOYSA-N 381.885 2.900 0 40 GFAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)nnc2n1 20799364 YTJHZNLEURNTNK-CYBMUJFWSA-N 387.852 2.819 0 40 GFAB O=C1CCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 8884443 LDEVWJGVRYWOJW-UHFFFAOYSA-N 385.470 2.688 0 40 GFAB CCOc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3)CC2)C1=O 9871208 MPLFAZUHODWNKT-LJQANCHMSA-N 379.460 2.539 0 40 GFAB COc1ccc(CNC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1OC 1322998 BQBVMHJTQHXQKG-UHFFFAOYSA-N 394.427 2.601 0 40 GFAB biogenic Cc1ccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 31773771 XVLXAGPOSBRMGG-DLBZAZTESA-N 384.929 2.509 0 40 GFAB Cc1cc(OCC(=O)NCCOc2cc(N3CCCC3)ncn2)ccc1Cl 36708017 KNIAOALDSPHXII-UHFFFAOYSA-N 390.871 2.613 0 40 GFAB CN1CCc2nnc([C@@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2CC1 72372759 ITHFIJCTHTYFBD-KRWDZBQOSA-N 385.487 2.546 0 40 GFAB CCC(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)C1 567737193 PFQFRLCRMBXLGO-UHFFFAOYSA-N 381.358 2.935 0 40 GFAB O=C(Cc1ccccn1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353553 GNFRZGJBZJPAMG-LJQANCHMSA-N 387.487 2.622 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)ccc1OC 44901483 LETQRPOPPCPDFH-AWEZNQCLSA-N 376.478 2.793 0 40 GFAB CCCNC(=O)CN(C)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 48277403 ZJBMXWCMKMAXBS-UHFFFAOYSA-N 384.411 2.936 0 40 GFAB COc1ccc(Br)c(C(=O)NCc2nc(-c3cc(C)on3)no2)c1 225811829 SCMITRXTNPPAAZ-UHFFFAOYSA-N 393.197 2.734 0 40 GFAB Cc1ccccc1[C@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47362917 KXESYSPGCDWLPW-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB O=C(COc1coc(CN2CCCCC2)cc1=O)NCc1ccc(Cl)cc1 44892230 LGFLUZDMJHIAOK-UHFFFAOYSA-N 390.867 2.974 0 40 GFAB COc1cccc(N(CCCC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1 224322223 MPWVVQCAEBSZFR-UHFFFAOYSA-N 376.478 2.904 0 40 GFAB CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccc(OC)c(Cl)c1 226058421 BNVWJZXWFISPQM-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB O=S(=O)(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1cccs1 77197531 AOEFIODMWLKPMM-UHFFFAOYSA-N 391.478 2.726 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C)C)cc2)cc1 224871262 XMWQOEDVQANDHG-UHFFFAOYSA-N 379.434 2.762 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC1CCCC1 225117089 JANWKEXICSAZRD-UHFFFAOYSA-N 394.537 2.861 0 40 GFAB COc1ccc(N2C[C@@]3(CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 96238981 MLZZPWUPVKJCPD-QFIPXVFZSA-N 380.444 2.730 0 40 GFAB CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Br 96300813 CADOBJJKHZOUJG-UHFFFAOYSA-N 391.331 2.564 0 40 GFAB COCCn1ccc2c(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cccc21 95475885 HTIRNHCQDYMQJH-HNNXBMFYSA-N 381.432 2.868 0 40 GFAB Cn1c2ccccc2c2c1cc(C(=O)N1CCC[C@@H](O)C1)n2-c1ncccn1 96146340 PLGPHSBNLGXOLM-CQSZACIVSA-N 375.432 2.509 0 40 GFAB COc1cccc(CN2C[C@@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@H]3C2)c1 247912085 VAVFHSYGOBHXAC-BPXKWBHBSA-N 399.491 2.622 0 40 GFAB O=C(O)c1cc(CN2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)ccc1O 257287535 PQJJPXYFXUFFMT-CQSZACIVSA-N 393.447 2.725 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2ccc(OC[C@H]3CCCO3)nc2)n1 253471869 GHGUQDKSRBBMDW-GFCCVEGCSA-N 377.422 2.525 0 40 GFAB CCOC(=O)CN(C(=O)c1ccccc1)[C@H](C(=O)NC(C)(C)C)c1ccccn1 255187746 GNFSOSXQHPRPKO-IBGZPJMESA-N 397.475 2.743 0 40 GFAB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 257366565 UOWFZLFIYGXRIV-QAJFTPDKSA-N 386.521 2.885 0 40 GFAB CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1 1641035560 PCXUWSCIAPRZOO-KRWDZBQOSA-N 391.410 2.601 0 40 GFAB CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H](Cc2ccccc2)c2ncco2)C1 654444925 FZDNBLDDUGNLSQ-KZNAEPCWSA-N 384.480 2.905 0 40 GFAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(F)(F)c1cccc(F)c1)CC2 664185198 LQHBNESBUQABME-AWEZNQCLSA-N 381.402 2.947 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(SC)cc2)cc1 96103235 ZXGPUOWTKXLHBY-MRXNPFEDSA-N 396.490 2.599 0 40 GFAB COc1ccccc1[C@@H](CNS(=O)(=O)c1cc(C)c(C)cc1OC)OC 96384986 DXHGHVNGLIMKFK-GOSISDBHSA-N 379.478 2.987 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 585104279 GOSHSCBHLUQAPR-SFHVURJKSA-N 382.526 2.599 0 40 GFAB CCCN1CCN(C(=O)CNC)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585183545 ACGWLKDAMQJIKI-JOCHJYFZSA-N 393.531 2.813 0 40 GFAB C[C@H]1CN(CCCNC(=O)c2cnc3c(cnn3C3CCCC3)c2)C[C@H](C)O1 70006672 YZMIMIXHELCFDH-HOTGVXAUSA-N 385.512 2.776 0 40 GFAB O=C1[C@H]2OC[C@H](O2)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1ccc(F)cc1 5222406 FFBISRRZTPMMHX-CYHRPERRSA-N 391.398 2.849 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1 5483558 XFWPULJLNSMMAC-UHFFFAOYSA-N 386.433 2.925 0 40 GFAB COC(=O)C1CCN(C(=O)COC(=O)c2ccccc2Cc2ccccc2)CC1 5780017 YUAFGKOVJLCTFP-UHFFFAOYSA-N 395.455 2.846 0 40 GFAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)c4cn(C)nc4C)C3)c(=O)c12 12184192 SFYMGEYAGFOJEV-CQSZACIVSA-N 399.520 2.848 0 40 GFAB COc1ccc(-c2nnc(S[C@@H]3CCc4ccccc4C3=O)n2N)cc1OC 12371371 LMPWXYJCBKMFDB-QGZVFWFLSA-N 396.472 2.966 0 40 GFAB C/C=C/c1ccc(OC[C@@H](O)CN(CC)CC(=O)NC(C)(C)C)c(OC)c1 12550936 QOTKFBLCHZSXQV-LKUPDRCFSA-N 378.513 2.705 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 13648574 NIWHRBUOIAWQSI-GFCCVEGCSA-N 380.416 2.709 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1 19693796 IXTISJIAOFFMFU-HXUWFJFHSA-N 378.480 2.517 0 40 GFAB Cc1nc(CN(C)C(=O)COc2ccccc2)nc2c1CCC(=O)N2CC1CC1 19698114 KZDPHSIRASNLAZ-UHFFFAOYSA-N 394.475 2.512 0 40 GFAB Cc1c(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cnn1C 12255651 DKFBIKXVWZBTAZ-CYBMUJFWSA-N 395.438 2.535 0 40 GFAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 2645471 VMCQLBVUJOQMCT-IBGZPJMESA-N 389.358 2.694 0 40 GFAB COc1cc(SC)ccc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 5889606 NXJKYCAAIQLZFF-UHFFFAOYSA-N 380.491 2.920 0 40 GFAB O=C(CCC(F)(F)F)N1CCC(Oc2ncc(Br)cn2)CC1 1888843034 HMBRQYVUUBDOSY-UHFFFAOYSA-N 382.180 2.951 0 40 GFAB COCc1nsc(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)n1 1888885371 AFOKDOCGDGAQFY-UHFFFAOYSA-N 385.493 2.619 0 40 GFAB CCn1cnc2c(N3CCN(c4nc(C(F)(F)F)cs4)CC3)ncnc21 1888888329 LDABVAASUXZPEK-UHFFFAOYSA-N 383.403 2.648 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)s1 1888901148 BPJCCTLHGKPGRH-ZDUSSCGKSA-N 398.492 2.616 0 40 GFAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3Cl)CC2)n1 1889128401 AEXHFVRWDKQQHH-UHFFFAOYSA-N 387.915 2.597 0 40 GFAB COc1ccccc1C(=O)N1CCC(COc2ccccc2)(CC(N)=O)CC1 2037905365 PZJLJVMJKKQYGW-UHFFFAOYSA-N 382.460 2.872 0 40 GFAB O=C(C[C@@H]1CC2(CCN(Cc3cn[nH]c3)CC2)Oc2ccccc21)NC1CC1 1203090765 PEBVMTMZYZNLMC-QGZVFWFLSA-N 380.492 2.979 0 40 GFAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4oc(C(C)(C)C)cn43)n(C)c2=O)c1 8710204 JTXBLRBTDRANCC-UHFFFAOYSA-N 380.448 2.904 0 40 GFAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c(=O)c1C 12127466 VFQCRFVCRUIWAC-UHFFFAOYSA-N 380.408 2.568 0 40 GFAB COCCN(Cc1ccsc1)C(=O)CCc1ccc(S(C)(=O)=O)cc1 225617878 XPWZAIWJQJLINV-UHFFFAOYSA-N 381.519 2.759 0 40 GFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(-c2ccccc2)nn1CCO 49027707 BFJRYIHOTFSSEH-VLIAUNLRSA-N 379.416 2.709 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCC[C@H](Oc3ccnc(C)n3)C2)cc1OC 575609561 NCFWYRVFSKTJPV-LKUPDRCFSA-N 383.448 2.885 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618992 YQGJUVDVAHGHDW-CQSZACIVSA-N 391.456 2.879 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](Oc2ccncc2Cl)C1 575610256 GCYNLUCXTPKKPS-AWEZNQCLSA-N 398.850 2.515 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccsc2)cc1Cl 618255650 UXRMTUOZWUHTFH-OAHLLOKOSA-N 375.899 2.682 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)CCc2ccccc2)cc1 206708426 QFXUBDKFBXEGLQ-LJQANCHMSA-N 392.477 2.527 0 40 GFAB COc1ccc(C[C@](C)(O)CNC(=O)NCc2ccc(OC)c(OC)c2)cc1 77184912 VDOHAKWJXLAPHE-NRFANRHFSA-N 388.464 2.505 0 40 GFAB O=C(C[C@@H](NC(=O)C(F)(F)F)c1ccccc1)OCn1nnc2ccccc21 20509328 FEYLPYDGAJKJKM-CQSZACIVSA-N 392.337 2.742 0 40 GFAB COc1ccc(CCNC(=O)NCc2ccccc2CN2CCCC2=O)cc1 32794790 DAMJDFBSMAAOPC-UHFFFAOYSA-N 381.476 2.860 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1c(F)cccc1F 800376 WKORTHHRSBYJLY-UHFFFAOYSA-N 396.415 2.767 0 40 GFAB COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nnnn21 954694 SNIXUBSOLZCOBO-SFHVURJKSA-N 376.420 2.918 0 40 GFAB COc1cc(C(=O)N(C)c2nnc(-c3cccnc3)s2)cc(OC)c1OC 1356764 VJQXQOQCHZDKGK-UHFFFAOYSA-N 386.433 2.903 0 40 GFAB Cn1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc21 1370905 RVBRVWQZEPNZDF-UHFFFAOYSA-N 390.896 2.738 0 40 GFAB COc1ccc2oc(=O)c(S(=O)(=O)c3ccc(OC)c(OC)c3)cc2c1 2689582 CRJSPXRGWBQWIY-UHFFFAOYSA-N 376.386 2.652 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(Cl)cc2)cc1C 3269221 GHDYRACEHJZYLC-UHFFFAOYSA-N 394.924 2.984 0 40 GFAB COc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1 3452128 APNVKTCTZLGEQE-UHFFFAOYSA-N 375.856 2.535 0 40 GFAB Cn1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2c1=O 3565901 GBPHTOVGXOXZIA-UHFFFAOYSA-N 382.851 2.549 0 40 GFAB CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1 3625915 PUCDTNXLOBCAPU-NRFANRHFSA-N 385.464 2.838 0 40 GFAB COc1ccc(CNC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 4712032 WMGVGQFEFJIOJX-UHFFFAOYSA-N 399.466 2.580 0 40 GFAB CCc1nn(CC(=O)NCc2ccccc2OC)c(=O)c2cc3sccc3n12 5108904 AWHYVUMWDIYIFU-UHFFFAOYSA-N 396.472 2.598 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H](c4ccccc4)C3)c(Cl)cc21 5427531 LYGAXZPZRZLCDN-ZDUSSCGKSA-N 392.864 2.963 0 40 GFAB O=C(CSc1ccc2ccccc2n1)NN1C(=O)NC2(CCCCC2)C1=O 5627164 HSNCTCNEIMEKOO-UHFFFAOYSA-N 384.461 2.613 0 40 GFAB Cc1ccc([C@@]23CCC(=O)N2[C@H](C(=O)NCCc2ccccn2)CS3)cc1 5689659 KEQUHFIBUKIHCG-RXVVDRJESA-N 381.501 2.640 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)NCc3ccccc3)CC2=O)c1C 5934485 MPATXXNVFQHNSB-GOSISDBHSA-N 380.444 2.516 0 40 GFAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCc1ccccc1 6104625 ZDMPXMQKSVMQAG-UHFFFAOYSA-N 391.456 2.517 0 40 GFAB CC(C)OCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 6344299 PJYKNEIOGBAXHG-UHFFFAOYSA-N 397.324 2.691 0 40 GFAB C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C1 6600354 AJHAYGAHNGDQLT-LLVKDONJSA-N 379.309 2.872 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 6623272 UFUDFNVNFKCBIG-UHFFFAOYSA-N 380.491 2.580 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1C 6680821 JOPPGKJKAYEWOD-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB COc1cc(NC(=O)CSCc2nnnn2-c2ccccc2)cc(OC)c1 6850482 NNOZWDGSPJRPLK-UHFFFAOYSA-N 385.449 2.551 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c1C 7086309 OWEZDDHFDNEEOL-IBGZPJMESA-N 384.432 2.591 0 40 GFAB Cc1ccccc1NC(=S)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 7556966 QXZDLXRKWOIYJB-IBGZPJMESA-N 397.500 2.676 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1F 7687868 VYCBBIRTMJFSGC-UHFFFAOYSA-N 396.440 2.622 0 40 GFAB O=C(NC1CC1)c1cccc(N[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 8026468 MYICTCIWCFLMHF-FQEVSTJZSA-N 379.460 2.591 0 40 GFAB CC(C)Cn1nc(C(=O)NCc2ccc(C(=O)O)cc2)c2ccccc2c1=O 8392066 PVYKVLVSUYELEJ-UHFFFAOYSA-N 379.416 2.681 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8891358 CGWMLKQFTORJIA-SFHVURJKSA-N 390.802 2.670 0 40 GFAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(Cl)cc1 8954905 RGYZSSZBFWHZIM-UHFFFAOYSA-N 395.893 2.604 0 40 GFAB CCOc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 9040680 JFIBHJKPSYEWAX-CQSZACIVSA-N 397.431 2.989 0 40 GFAB O=C(/C=C/c1ccc(F)cc1)NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 9172348 DWHHXZAZGAWQDF-GRLYAWNKSA-N 397.475 2.521 0 40 GFAB COc1ccccc1[C@H]1N=C(NCc2ccccc2)Nc2nc(C)cc(=O)n21 9287527 RVRFWJHPCWYKKN-IBGZPJMESA-N 375.432 2.679 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)N2CCc3ccccc32)cc1 9384919 IAJFXZPUIQIIFM-UHFFFAOYSA-N 384.501 2.676 0 40 GFAB C[C@@H](OC(=O)CCNC(=O)Nc1ccccc1)C(=O)N1CCc2ccccc2C1 9620968 YVUXRHZGTWMTNC-MRXNPFEDSA-N 395.459 2.715 0 40 GFAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 10233525 VHFOUJGVQCNOKH-AWEZNQCLSA-N 379.464 2.786 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1 10302649 YWENMVMTDGMSBT-INIZCTEOSA-N 396.509 2.644 0 40 GFAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCc2sccc2C1 12215631 POKCBIKKFOHGIF-UHFFFAOYSA-N 376.503 2.731 0 40 GFAB O=C(c1cscn1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12226946 WFQZXWRTDBWCOA-SECBINFHSA-N 382.371 2.619 0 40 GFAB CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](C)C(=O)O)cc1 12401635 ISVVUANIJIHQHR-DQPIFXJKSA-N 396.443 2.834 0 40 GFAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 12568541 URJOHLOSVZMBGI-LBPRGKRZSA-N 383.433 2.569 0 40 GFAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1S(=O)(=O)N(C)C 12608463 SROAOHDESNOSPP-UHFFFAOYSA-N 398.488 2.992 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 12609155 OFLUIWGIMPPHML-UHFFFAOYSA-N 380.444 2.770 0 40 GFAB COc1ccc2cc(CN(C)S(=O)(=O)c3ccc(C(N)=O)cc3)ccc2c1 12780147 NUVRKOVDLZCSOO-UHFFFAOYSA-N 384.457 2.768 0 40 GFAB COc1ccc(-c2nnc(S)n2CC(=O)Nc2nnc(C3CC3)s2)cc1 12866496 XIZGCZUYBYHONH-UHFFFAOYSA-N 388.478 2.610 0 40 GFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2ncsc2c1 12917846 SZIQURUKOMMIAW-UHFFFAOYSA-N 394.456 2.822 0 40 GFAB NC(=O)CSc1ccccc1NC(=O)CSc1ccccc1C(=O)O 12978301 YQNGFRBRIUDPQT-UHFFFAOYSA-N 376.459 2.693 0 40 GFAB COc1cccc([C@H](CNC(=S)NCc2ccc3c(c2)OCO3)N(C)C)c1 13056130 MQOXPTCQSRIATO-KRWDZBQOSA-N 387.505 2.691 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(OC)c1 14136548 IXPJHGHPEKKLSM-NRFANRHFSA-N 379.416 2.633 0 40 GFAB biogenic CC(C)n1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2c1=O 14171775 BWUKYEQKHQSGMY-GOSISDBHSA-N 390.487 2.982 0 40 GFAB O=C(COc1ccccc1)NCC(=O)N1CCC(c2nc3ccccc3o2)CC1 14181703 XQPGFSPGJXWPCM-UHFFFAOYSA-N 393.443 2.729 0 40 GFAB COC(=O)c1ccc(OC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c(OC)c1 14680923 BSVBXNDSPXOCNB-ZDUSSCGKSA-N 399.399 2.591 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 15348883 NJRAKYDNVKPMRQ-UHFFFAOYSA-N 376.453 2.889 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2Cl)c1 15583406 ZUYBGQWYQPXRKV-UHFFFAOYSA-N 380.897 2.942 0 40 GFAB CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 15772021 ZLNYYOUEPTVQBP-UHFFFAOYSA-N 398.444 2.734 0 40 GFAB NC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c1CCC2 15822891 LEYOSYZSMXBNPI-UHFFFAOYSA-N 392.502 2.528 0 40 GFAB O=C(OCc1nnnn1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1 17654195 TYWLTAMAHJASRO-UHFFFAOYSA-N 386.411 2.642 0 40 GFAB O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1Cl 17877430 SXZAEKCZHOQZQL-SFHVURJKSA-N 387.842 2.933 0 40 GFAB Cc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)CC[C@@H]2CCCO2)on1 19123438 VPIBFVAZHYMAAG-HNNXBMFYSA-N 385.468 2.932 0 40 GFAB COc1nn(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)c(=O)c2ccccc12 19458904 BUVAQDPUYQLGBS-AWEZNQCLSA-N 393.443 2.608 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 19497928 SHPAOOXBTXFXTM-RDJZCZTQSA-N 392.503 2.808 0 40 GFAB CCCC(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19501300 NFJLBWUMWDHASC-OAHLLOKOSA-N 385.512 2.708 0 40 GFAB CCOc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(CC)CC2)cc1 19528029 SUJITQBLGPOOAQ-FQEVSTJZSA-N 384.528 2.914 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1C 20015188 OMQCRVLVJUOROD-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(F)cc1 20636731 PZPLRGQCASCTNS-RTBURBONSA-N 395.434 2.590 0 40 GFAB COc1cccc(N2CCN(C(=O)Cc3cnc(-n4cccc4)s3)CC2)c1 20745461 IBXJYXVNZZRBRX-UHFFFAOYSA-N 382.489 2.834 0 40 GFAB Cn1c(=O)c2c(SCc3ccccc3F)nc(C(C)(C)C)nc2n(C)c1=O 22699369 KDJXZLPIUOMQCT-UHFFFAOYSA-N 388.468 2.756 0 40 GFAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(N2CCOCC2)nc1 24334849 BLXJUCAZDNOQJR-UHFFFAOYSA-N 381.461 2.997 0 40 GFAB COc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 25053959 WTMMJCMTQPKGMB-VXGBXAGGSA-N 384.436 2.551 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 25091527 DKXOQWRZQSLMGG-HUUCEWRRSA-N 378.428 2.732 0 40 GFAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4[C@@H](C)CCC[C@@H]4C)cnc32)c1 25440546 XCLIIGWXOTXBJK-IRXDYDNUSA-N 393.491 2.989 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)NCc2ccccc2)c(OC)c1 27155467 DFMVILGVMZGZNZ-LJQANCHMSA-N 397.475 2.867 0 40 GFAB O=C(c1cccc(Nc2ncccn2)c1)N1CCN(C(=O)c2cccs2)CC1 30858813 PDGXIVHVAWTOMN-UHFFFAOYSA-N 393.472 2.880 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1 31810345 WCDZRTHPOAEUOO-KRWDZBQOSA-N 376.844 2.673 0 40 GFAB c1ccc(N2CCN(c3nc(N4CCCCC4)c4nccnc4n3)CC2)cc1 32069968 VVBZAJSMRLYUOH-UHFFFAOYSA-N 375.480 2.737 0 40 GFAB O=S(=O)(Nc1ccccc1O)c1ccc(I)cc1 32601971 XRBQDDMVTQAFRF-UHFFFAOYSA-N 375.187 2.798 0 40 GFAB COc1ccc(CN(C(=O)NC2CCCC2)S(=O)(=O)c2cccnc2)cc1 32642667 ZKADTVSFLVMBDG-UHFFFAOYSA-N 389.477 2.933 0 40 GFAB CCOC(=O)C1=C(COc2ccc(F)c3c2C(=O)C[C@H]3C)NC(=O)N[C@H]1CC 32789291 HIPNUZROYJJLIC-PWSUYJOCSA-N 390.411 2.803 0 40 GFAB COc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 35374889 YTUDXEZMWMIQJL-LEWJYISDSA-N 395.503 2.879 0 40 GFAB COc1ccccc1NC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O 36556587 HUNVGBKDDVLBHU-KPLVRAHFSA-N 393.443 2.818 0 40 GFAB Cc1ccc(-n2nnc(C(=O)NCCc3nnc4ccccn34)c2C(C)C)cc1 40141475 GNLUJLMFUZZAPX-UHFFFAOYSA-N 389.463 2.714 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1F 45395204 BOSMCZNWRVFSKW-CYBMUJFWSA-N 397.454 2.736 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(-n3nnnc3C)c2)c1 45687477 WTFPZCGOJZLKMQ-LBPRGKRZSA-N 382.424 2.871 0 40 GFAB O=C(Nc1cccc(Cn2ccnc2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48303295 LGTBRPFDGDBTCL-SFHVURJKSA-N 381.480 2.798 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 58105342 JOTRVCBQQMZADN-UHFFFAOYSA-N 386.452 2.824 0 40 GFAB CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 58162207 KWUOLWDMGPFMQB-UHFFFAOYSA-N 376.331 2.769 0 40 GFAB COc1ccc2c(C)c(CC(=O)Nc3c4c(nn3C)CSC4)c(=O)oc2c1 62001682 ZCOQYPVVLSYDSS-UHFFFAOYSA-N 385.445 2.772 0 40 GFAB biogenic COc1ccc(CNC(=O)c2c(-c3ccc4c(c3)OCCO4)cnn2C)cc1 66088945 OOZPHHYICJBEQJ-UHFFFAOYSA-N 379.416 2.797 0 40 GFAB Cc1occc1C(=O)NC1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 66479897 UHDBLUOEPYUBDJ-IFXJQAMLSA-N 384.432 2.537 0 40 GFAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCO[C@@H]2CCCC[C@H]21 69946649 MDXCPJOOEZRTEC-RTBURBONSA-N 377.916 2.632 0 40 GFAB O=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 70921471 FBSMNOKSVPWFBS-UHFFFAOYSA-N 399.925 2.627 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cc2ccccc2n(C)c1=O 71280136 JPOVIAVBIJHGSY-CQSZACIVSA-N 394.431 2.730 0 40 GFAB O=C(CN1CC[C@H](c2ccccc2)C1)NCc1ccc(N2CCCC2=O)cc1 71844053 LLDJRXPUMIXQPJ-FQEVSTJZSA-N 377.488 2.919 0 40 GFAB COc1cc2c(cc1OC)[C@H]1CN(C(=O)OCc3ccccc3)CC(=O)N1CC2 72342193 UUJNXEAJDNSVCF-GOSISDBHSA-N 396.443 2.782 0 40 GFAB Cc1c(C(=O)N2CCc3nnc([C@@H]4CCCCN4)n3CC2)[nH]c2ccc(F)cc12 72372818 CNKKDRFOELNDJT-KRWDZBQOSA-N 396.470 2.720 0 40 GFAB O=C(OCCO)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 95946923 KDDSHKJDKRDYSU-UHFFFAOYSA-N 380.183 2.943 0 40 GFAB COCc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2OC)no1 96000625 FQTGCSZCCQFLQI-ZDUSSCGKSA-N 381.454 2.531 0 40 GFAB Cn1nnc2ccc(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc21 96013752 BTYVTRBJJOXZDG-UHFFFAOYSA-N 389.459 2.665 0 40 GFAB CN(C)C(=O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(c1ccccn1)C2 96056123 ARPKXXDPTQRGPP-RXVVDRJESA-N 384.549 2.950 0 40 GFAB O=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1cnccn1 96079846 DYDJYXNEILHOJI-GOSISDBHSA-N 378.476 2.975 0 40 GFAB COc1ccc(-c2nn(CCCC(=O)N3CCC(C)CC3)c(=O)cc2OC)cc1 96100928 GCRIHQJAYIGWSX-UHFFFAOYSA-N 399.491 2.966 0 40 GFAB CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc(Cl)c1 96519953 HBFSYNCOJRYZJA-DTWKUNHWSA-N 395.045 2.746 0 40 GFAB CCN1c2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2C(=O)N2CCCC[C@@H]21 97112868 KHZFFORQQQADOJ-LJQANCHMSA-N 392.459 2.830 0 40 GFAB CCc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)[nH]n1 97218420 ZFKRHROWYTZFEL-UHFFFAOYSA-N 383.315 2.754 0 40 GFAB CCn1cc(/C=C/C(O)=C2\C(=O)NC(=O)N(CCCOC)C2=O)c2ccccc21 101284174 ZJEZHIGOCVCQQC-IFHDMOFGSA-N 397.431 2.601 0 40 GFAB CCc1ccc2c(COC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)cc(=O)oc2c1 102250406 FVAQXCQMMBPPLD-CALCHBBNSA-N 397.427 2.574 0 40 GFAB CN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)C[C@]12CC[C@@H](CC1=O)C2(C)C 169293291 HMYSJHGTAMQUGE-VBKZILBWSA-N 384.586 2.953 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222994439 JDVGGDRYAODEKF-RTBURBONSA-N 379.489 2.886 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222997729 JUHOUEKFSHQQOD-RTBURBONSA-N 379.489 2.886 0 40 GFAB COc1ccccc1C(=O)NCCCOC(=O)c1snnc1-c1cccnc1 223853380 PABKBHKMBJIKPB-UHFFFAOYSA-N 398.444 2.586 0 40 GFAB COc1ccc(CCC(=O)N2CC(n3ccnn3)C2)cc1OCc1ccccc1 225691688 IHVYFVRSHBTZAO-UHFFFAOYSA-N 392.459 2.882 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@](O)(c1ccoc1)c1ccco1 390827606 ZROSGLJBSXRWLB-KRWDZBQOSA-N 397.836 2.749 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408635624 GCPASZCFNPZSAA-UHFFFAOYSA-N 398.868 2.664 0 40 GFAB O=C(Nc1cccc(F)c1-c1nc[nH]n1)[C@H]1CCCN(Cc2cccnc2)C1 562353327 JZDMWTNUGADCNC-HNNXBMFYSA-N 380.427 2.857 0 40 GFAB Cc1cccc(OCc2nc(CC(=O)N3CCN(c4ccccc4)CC3)no2)c1 575284082 LFILQYFTGFQNGG-UHFFFAOYSA-N 392.459 2.848 0 40 GFAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575405130 SJOQUOQIYHYUCD-HKUYNNGSSA-N 382.485 2.688 0 40 GFAB CC(C)Oc1ccc(S(=O)(=O)NCCn2cc(-c3ccncc3)cn2)cc1 575612629 IMRQKLARXVMVFA-UHFFFAOYSA-N 386.477 2.711 0 40 GFAB Cc1ccc([C@H]2CCN(S(=O)(=O)c3cnc(C4CC4)s3)[C@@H]2C(=O)O)cc1 585098304 OMDVZGGMRVRWQV-ZBFHGGJFSA-N 392.502 2.960 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188721 LFBXAOJAMVIOIK-NSHDSACASA-N 397.859 2.776 0 40 GFAB O=C(CN1C(=O)Cc2ccccc21)NC[C@@H]1CCN(c2ccccc2Cl)C1 617121741 OAMPMKGJWUYHSZ-HNNXBMFYSA-N 383.879 2.872 0 40 GFAB CN1C(=O)N(CC(=O)Nc2cnc3c(F)cccc3c2)C(=O)C12CCCCC2 618032459 IHVAJBXLPVZXAF-UHFFFAOYSA-N 384.411 2.909 0 40 GFAB CN1CCO[C@H](C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 618238030 OWUCKLBVNYPRAT-WMZOPIPTSA-N 386.414 2.839 0 40 GFAB COCCNC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCCCCO2 643579366 UWQSFRLPCYDYTA-UHFFFAOYSA-N 396.487 2.946 0 40 GFAB COC(=O)[C@H](CNC(=O)[C@]1(c2ccccc2)CCCO1)Oc1ccc(F)cc1 1137961256 YYJLLYAXZRCTLK-GHTZIAJQSA-N 387.407 2.568 0 40 GFAB Cc1nc(C)c(CN2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)s1 1565553073 JFNXRVAQKMAFKF-KURKYZTESA-N 377.554 2.999 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 1565554527 UNMWHKABKGHRJC-BPQIPLTHSA-N 387.867 2.966 0 40 GFAB O=C([C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1)N1CCSCC1 1888857265 YSJMQMJNWCSYJG-LBPRGKRZSA-N 395.834 2.534 0 40 GFAB O=C(c1c[nH]c2ccccc12)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888888047 VWKLVMGEPQTEJF-UHFFFAOYSA-N 375.354 2.939 0 40 GFAB CN(CC1CCN(c2ncnc3c2cnn3C)CC1)c1ncnc(C2CC2)c1F 1888906514 DDLBKGILDWRKCR-UHFFFAOYSA-N 396.474 2.523 0 40 GFAB Cc1cncc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c1 2037985054 WIYXNBXIEXVFJG-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB COCCCN1CCC[C@@]2(CCCN(S(=O)(=O)c3sccc3C)C2)C1 2056223438 LHKOKXXZVZCBLG-GOSISDBHSA-N 386.583 2.960 0 40 GFAB Cc1ccnn1CCCNC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 2809637 RSQIOUHMPZGCDQ-UHFFFAOYSA-N 385.489 2.715 0 40 GFAB C[C@H]1CN(CCCCNC(=O)Nc2nncc(-c3ccccc3)n2)C[C@@H](C)O1 79064341 PETRIQHVCFBIEN-IYBDPMFKSA-N 384.484 2.550 0 40 GFAB O=C(CSc1nc2ncccn2n1)Nc1cc(C2CC2)nn1-c1ccccc1 23007685 IJCVHWXNRMAUPP-UHFFFAOYSA-N 391.460 2.918 0 40 GFAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)cc1 54254004 QVVVVWVXCNMAJL-IBGZPJMESA-N 396.443 2.620 0 40 GFAB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 6970411 QJAYUSIFROVDPQ-QGOAFFKASA-N 377.400 2.659 0 40 GFAB COc1cc(OC)c(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 1097479 TYEAXHYSPRYXDS-YBEGLDIGSA-N 386.379 2.944 0 40 GFAB O=C1CCCCCN1CCCNC(=O)N1CCN(c2ccccc2Cl)CC1 12545246 DDKMADCUCVVBHM-UHFFFAOYSA-N 392.931 2.964 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 43084030 PZFCODLGOMLULL-KGVIQGDOSA-N 395.503 2.542 0 40 GFAB CCOc1cc(CNCCc2ccc(OC)cc2)cc(Cl)c1OCC(N)=O 8253770 XISPRAXIMCSHLR-UHFFFAOYSA-N 392.883 2.944 0 40 GFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccccc2Cn2cccn2)c1 24864191 KPMCGJAXZFBZAW-UHFFFAOYSA-N 398.488 2.677 0 40 GFAB CC1CCN(CCCCNC(=O)Nc2ccc(N3CCOCC3)nc2)CC1 48070019 QLBGXZUCCWBGMK-UHFFFAOYSA-N 375.517 2.552 0 40 GFAB CC(C)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4cccc(F)c4)CCCC2)[C@@H]3C1=O 100164266 RISPHMWWMLWOKF-KCESLBEFSA-N 398.478 2.902 0 40 GFAB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)O)c2)cc1Cl 3245217 XVYFYSPBGXWZGC-UHFFFAOYSA-N 385.825 2.881 0 40 GFAB COc1cccc(CC(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 25299894 FZWPEDHBFZJMNU-AWEZNQCLSA-N 379.420 2.668 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCCOc3ccc(F)cc31)C2=O 56192712 HZAUEMZIZIBYCI-QGZVFWFLSA-N 382.391 2.760 0 40 GFAB O=C(NC1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccsc1 56467203 MGZZNLHVDYPPJO-UHFFFAOYSA-N 386.473 2.944 0 40 GFAB CCN(CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1)Cc1ccccc1 57414183 LHSVTRBGEPLGPO-FQEVSTJZSA-N 379.460 2.990 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1OC 9063901 WYZMZZLFTMFYQE-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 10090285 FVUOUKOXWSSEEK-UHFFFAOYSA-N 375.432 2.967 0 40 GFAB O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ncn(Cc2cccnc2)n1 58224936 LSDDYPQNYOCAHZ-UHFFFAOYSA-N 377.326 2.801 0 40 GFAB C[C@@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)NC(N)=O 3361217 LPPPUMGNQKOMNM-GFCCVEGCSA-N 382.372 2.752 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccco1 22227049 HNXAAIOBNINBIT-UHFFFAOYSA-N 376.478 2.863 0 40 GFAB O=C(CNC(=O)c1cncc(Br)c1)Nc1ccc(F)c(F)c1F 3357455 LRQOQMZXBXUNCK-UHFFFAOYSA-N 388.143 2.630 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(=O)OCC 2312647 NSSFSSGVOUOLBK-UHFFFAOYSA-N 384.388 2.617 0 40 GFAB biogenic,in-vitro Cc1cc(C(=O)O[C@@H](C)c2nc3ncc(Br)cc3[nH]2)cc(=O)[nH]1 95468005 YSWYPZWRUDQWFU-QMMMGPOBSA-N 377.198 2.635 0 40 GFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1 3392549 UMYJDYIJDNJMLT-UHFFFAOYSA-N 389.502 2.653 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]21 100036888 XYMLIGXWGQOEGG-HKUYNNGSSA-N 391.431 2.544 0 40 GFAB COc1ccc(CN(C)C(=O)CCn2cnc3sccc3c2=O)cc1OC 48312908 VQYQEGTXFJBQHC-UHFFFAOYSA-N 387.461 2.524 0 40 GFAB CCCc1c(COC)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c1=O 22448526 BPLYEWJKCREEJP-UHFFFAOYSA-N 376.888 2.849 0 40 GFAB O=C1COc2cc(S(=O)(=O)N3CC[C@H]3c3ccccc3)c(Cl)cc2N1 45815523 AORMJNLRRLPUDT-AWEZNQCLSA-N 378.837 2.807 0 40 GFAB CC(=O)NCCC(=O)O[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 11776808 HQLPQOVNBDNYCM-MRVPVSSYSA-N 380.750 2.755 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 29611588 BQLZCAKIHXMKDE-SFHVURJKSA-N 390.461 2.868 0 40 GFAB CN(Cc1ccc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)o1)S(C)(=O)=O 20030378 JVXFQVYTRNUWBP-HYSAVQALSA-N 388.489 2.878 0 40 GFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CCC(=O)C[C@]3(O)CC[C@@]21O[C@H]4OC 118939843 VLMLLACKDSNIAO-URLQFXFDSA-N 392.492 2.608 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1 3593617 ZJQVVEMSXDUOIU-HXUWFJFHSA-N 399.834 2.948 0 40 GFAB Cc1cccc(C)c1NC(=O)c1nnn(CC(=O)NCc2ccc(F)cc2)c1C 71327414 NRKGDIMCJTVMCJ-UHFFFAOYSA-N 395.438 2.911 0 40 GFAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(S(C)(=O)=O)s1 13628230 VHKHVEZXWBAGBT-SNVBAGLBSA-N 383.495 2.645 0 40 GFAB O=C1N[C@H](c2ccc(O)cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4279746 JIAMXIWSZJUDBV-LALPHHSUSA-N 386.351 2.558 0 40 GFAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 9336807 KMDYGNJKMDLWQJ-IBGZPJMESA-N 398.459 2.624 0 40 GFAB Cn1ccc2ccc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cc21 96222387 JDVMTGYIHJGARB-KRWDZBQOSA-N 376.416 2.628 0 40 GFAB biogenic CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCCCCC2)ccc1C 6507264 AHVJREORVVFJOC-UHFFFAOYSA-N 381.542 2.840 0 40 GFAB Cn1nc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc2c1=O 6922951 LABREUYBFJUKJR-UHFFFAOYSA-N 382.851 2.549 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1OC 7050253 JMXXAKNVHGREHF-AWEZNQCLSA-N 387.461 2.929 0 40 GFAB CCCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 22512802 NBKIIZXZBTWQHQ-ZDUSSCGKSA-N 390.933 2.963 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2ncsc2c1 7723426 OTGXPRXXUYUZJY-UHFFFAOYSA-N 391.474 2.808 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)N1CCC(c2ccccc2)=N1 8075084 WYHGHSPQUHWEQR-UHFFFAOYSA-N 384.490 2.512 0 40 GFAB C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 8167599 IPPPJYBBNBGLJD-AWEZNQCLSA-N 380.897 2.928 0 40 GFAB Cc1cc(C(F)(F)F)nc(-n2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)n1 17079236 GRDIGQOXHYZWKW-UHFFFAOYSA-N 388.357 2.791 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 8765312 VZMBWSVUCKQTHH-INIZCTEOSA-N 391.471 2.859 0 40 GFAB biogenic CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccc(Cn2cc(Br)cn2)o1 95974568 LNJSOYMWPRISCK-SMDDNHRTSA-N 382.258 2.520 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 23026550 IJSUNUCWAOKSEQ-UHFFFAOYSA-N 386.473 2.602 0 40 GFAB CC(C)CN1C[C@H](C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)CC1=O 523373689 CYCGXHBCVRCBHR-GOSISDBHSA-N 395.507 2.682 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CC(=O)N(CCc2ccc(O)cc2)C1 524734741 JHBBMUYOKLDXQF-CYBMUJFWSA-N 393.365 2.836 0 40 GFAB COc1ccc2c(ccn2CCC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)c1 524731698 HTLXOZJFJCVCTJ-PLMTUMEDSA-N 395.503 2.899 0 40 GFAB biogenic Cc1nc2cc(NC(=O)[C@H]3CCCN(c4ccc(=O)n(C)n4)C3)ccc2s1 77100960 UXMSNIXPROYORW-ZDUSSCGKSA-N 383.477 2.554 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218057738 VUUITNNDAYGDSQ-BQFCYCMXSA-N 379.865 2.540 0 40 GFAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OC)c2)N2NC=NC2=N1 38303297 YELNSVBSSDCGRQ-SFHVURJKSA-N 386.452 2.970 0 40 GFAB Cc1cc(C)n([C@H](C)CCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1 36615011 QCNICCAARJIUNK-SNVBAGLBSA-N 375.445 2.638 0 40 GFAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)N1CCOCC1 33013038 AEIUZJSQGSFCDF-UHFFFAOYSA-N 395.415 2.650 0 40 GFAB COc1cccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 225163066 PLLIBEFNSISOGT-INIZCTEOSA-N 383.853 2.665 0 40 GFAB CCOc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C 225444078 FNCIYIIXJZXHGY-UHFFFAOYSA-N 388.489 2.847 0 40 GFAB COc1ccc([C@@H](NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C2CC2)cn1 528965624 YKRLVTPABXZYHL-SFHVURJKSA-N 397.414 2.786 0 40 GFAB Cc1cc(C(=O)N2CCOCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 131667246 DNPLBCOQGULRPX-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CCc1nn2c(nnc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccc(F)cc1 40391736 NMKVPMSUPUMZGZ-UHFFFAOYSA-N 395.394 2.673 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607568 FVEBEAVIPLVURH-UHFFFAOYSA-N 384.358 2.526 0 40 GFAB Cn1ccc2c(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cccc21 96221576 KWJSSEFSIDSZTH-KRWDZBQOSA-N 376.416 2.628 0 40 GFAB biogenic CO[C@@H]1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 91934458 RAXVXDRFFYAWEX-LLVKDONJSA-N 396.274 2.919 0 40 GFAB CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn23)CC1 96156093 ONLCOKBWYRSIQG-UHFFFAOYSA-N 391.519 2.837 0 40 GFAB C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 243341052 LSWNLDKPKACJNA-LBPRGKRZSA-N 397.294 2.605 0 40 GFAB NC[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242575104 NSDWPWFPWWQESM-ZACQAIPSSA-N 386.300 2.871 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257334581 YGNSGHFACNHAKB-QGZVFWFLSA-N 396.426 2.615 0 40 GFAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 257255466 KHOSSVCLIOURAU-IBGZPJMESA-N 393.447 2.920 0 40 GFAB CC[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CCC(=O)N1Cc1ccccc1 71750422 SESCHJAAVUYXFH-GOSISDBHSA-N 380.492 2.873 0 40 GFAB COc1ccc(CCS(=O)(=O)NCC2(OC)C3CC4CC(C3)CC2C4)cc1 96123892 BMQSZBIGLADSOC-UHFFFAOYSA-N 393.549 2.998 0 40 GFAB Cn1cc(-c2noc(CNC(=O)c3ccccc3C(=O)c3ccccc3)n2)cn1 390828243 ANEBPUJDMRTHSD-UHFFFAOYSA-N 387.399 2.631 0 40 GFAB CN1CCN(c2cccc(-c3noc(-c4coc(-c5cccnc5)n4)n3)n2)CC1 685938941 WJCAAZMDZWGXHE-UHFFFAOYSA-N 389.419 2.600 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)ccn1 1615129726 MYHINENVZOJHEK-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 1615123563 SZDNIYJOZNHTBA-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB COc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252860 ATBQHIPXQBTWTF-UHFFFAOYSA-N 393.443 2.962 0 40 GFAB CC1(C)NN=C(SCC(=O)N2c3ccccc3CCc3ccccc32)NC1=O 5690253 RHGYBGTVLZSEPG-UHFFFAOYSA-N 394.500 2.952 0 40 GFAB Cc1cc2c(=O)n(CC(=O)Nc3cnn(Cc4ccc(F)cc4)c3)cnc2s1 12193015 AWPDXNVDJZNKQF-UHFFFAOYSA-N 397.435 2.789 0 40 GFAB Cn1nccc1[C@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccccc1 12194081 DGUAWWBSOSAPNX-HXUWFJFHSA-N 376.460 2.897 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12225140 IHCQMLKGUYDBGP-OAHLLOKOSA-N 383.477 2.644 0 40 GFAB CN1CCN(c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cn2)CC1 12613975 GQCIEMWDOQYGIJ-UHFFFAOYSA-N 398.492 2.516 0 40 GFAB COc1ccc(OCCNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 15615555 FNYRAKUBSIOQIJ-UHFFFAOYSA-N 381.432 2.795 0 40 GFAB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16162446 FQRXQRFQNOKTIB-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)c2cc4ccccc4o2)C3)C1 19016680 YTVBCEJCKIWKEC-MRXNPFEDSA-N 390.443 2.757 0 40 GFAB Cc1cnn(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)c1 19239985 OAWGCLWHXGEDKF-HNNXBMFYSA-N 397.504 2.800 0 40 GFAB Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19291311 FUVNVFPQHWAMLC-GFOJFJKKSA-N 376.504 2.866 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc2c(c1)CCCO2 19496117 RPLAPHMVLQKZEL-DFFLPILJSA-N 399.491 2.690 0 40 GFAB Cc1cc(C)n(Cc2c(C(=O)N3CCC(Oc4cccnc4)CC3)noc2C)n1 19574310 RVWDJNXCBXIUON-UHFFFAOYSA-N 395.463 2.923 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3CCC[C@H]3Cn3cccn3)sc2c1 19657954 JTWFUJKAMDTLML-AWEZNQCLSA-N 385.493 2.995 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cccs4)C[C@@H]32)c(OC)n1 12327562 WSBXVIBJOGEHFY-IYJAJMOOSA-N 375.494 2.675 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)N1CCc2ccccc21 15351417 UARUDIDJOYGNDM-INIZCTEOSA-N 381.476 2.933 0 40 GFAB O=C1NCC2(CCC(C(=O)NCCC[C@H]3CCOC3)CC2)Oc2ccccc21 19374738 JCFLUHFQLHKQEV-YPHUNTSASA-N 386.492 2.671 0 40 GFAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)COC)C1 19528888 DCYDLQGFJKGEJA-HSZRJFAPSA-N 380.488 2.897 0 40 GFAB Cn1c(N2C[C@@H]3CN(C(=O)c4cc(C(C)(C)C)n[nH]4)C[C@H]3C2)nc2ccccc21 1888897696 KFUAEFWXKURFTI-GJZGRUSLSA-N 392.507 2.802 0 40 GFAB CCOc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)cn1 1888919573 VSRDUNXESWYAES-IAGOWNOFSA-N 391.475 2.575 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 24649331 HWDKWCAZEYYARL-UHFFFAOYSA-N 397.475 2.697 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)c(OC)c1 7455495 CUPFOTXQBLUPDU-UHFFFAOYSA-N 381.388 2.511 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)c(OCC)c1 22496154 QOJIJFYCIFAXKC-UHFFFAOYSA-N 383.441 2.980 0 40 GFAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2cc(N3CCCC3)ncn2)c1 36708018 FGTHIBCPGLBHMT-KRWDZBQOSA-N 384.480 2.656 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CC(c2nc(-c3ccncc3)no2)C1 49032005 XMZCJMZICXPMJL-UHFFFAOYSA-N 378.417 2.823 0 40 GFAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 247938067 FKIIGMYGMSPYQL-FASAQXTFSA-N 393.447 2.954 0 40 GFAB CC(C)OCCCN[C@@H](CC(=O)Nc1ccccc1Br)C(=O)O 5258476 MXWNGUKOFZSALA-AWEZNQCLSA-N 387.274 2.636 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(C)CC3)c(O)n2n1 22577944 QQQNOVQYMYTFKP-OAHLLOKOSA-N 393.463 2.674 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCc2cccs2)c(Br)s1 30290787 VFNULEXWYUPOOJ-UHFFFAOYSA-N 396.309 2.837 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1cc(-n3cnnn3)ccc1Cl)CC2 20732366 XDDBCLRCYBSBKM-UHFFFAOYSA-N 399.838 2.531 0 40 GFAB CCOC(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc1 102121325 DYEHWBHGSDJITH-GOSISDBHSA-N 380.400 2.810 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1F 32745011 OSTPXRAWCZPRQV-GFCCVEGCSA-N 381.407 2.981 0 40 GFAB COc1cccc(CNC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)c1 32744493 SGSRITXMINEYCB-INIZCTEOSA-N 391.514 2.904 0 40 GFAB CC(=O)c1ccc(O[C@H](C)C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 22052746 MZCZWBBXIUXJDE-OAHLLOKOSA-N 380.400 2.716 0 40 GFAB O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CC1 676693 GXJCPRDTAVMBJG-UHFFFAOYSA-N 381.523 2.521 0 40 GFAB CCOC(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)n(C)n1 2793095 QDYRQTAFTNGWLW-UHFFFAOYSA-N 379.438 2.704 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)C[C@H](C)O1 3164185 XSANVVJUSSRLQI-GJZGRUSLSA-N 380.510 2.547 0 40 GFAB COc1cc(CCC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 3480738 GPLLHVFDMQSMGG-UHFFFAOYSA-N 384.476 2.994 0 40 GFAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1C 4144805 JTYFUNWYLQZNBQ-YHQOMNDMSA-N 389.496 2.996 0 40 GFAB COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccc(Cl)cc3)N2)c1 4279786 KJXAAKVVGYSWHK-QGZVFWFLSA-N 395.850 2.786 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccccc3C)C2=O)cc1 4304828 VRHUATOCJIJKBX-JOCHJYFZSA-N 379.460 2.729 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)cc1 4479026 DZLWJGDLEGQBEB-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB CCOC(=O)CCCC(=O)C(Cc1ccccc1)(C(=O)OCC)C(=O)OCC 4696655 PBTYFGJBXNRMTH-UHFFFAOYSA-N 392.448 2.644 0 40 GFAB CN1C(=O)C(=C2C[C@H](c3ccccc3)Nc3ccccc3N2)C(=O)N(C)C1=O 5352115 DGJJWOLYBALOLW-MRXNPFEDSA-N 376.416 2.960 0 40 GFAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)NC1CCCC1 5966329 FGJLPHMXQIYXNW-UHFFFAOYSA-N 388.280 2.897 0 40 GFAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 6326863 APFYZDJYLGQQSJ-AWNIVKPZSA-N 380.378 2.536 0 40 GFAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1cccc(Cl)c1 6354063 MQZYEKSMFFOVLZ-NSHDSACASA-N 386.791 2.506 0 40 GFAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N(C)OC 6789030 NVOQSMBUUUGLOI-UHFFFAOYSA-N 384.841 2.783 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1nn(C)c(=O)c3ccccc13)O[C@H](C)C2 6789820 VFKGOCDAULJRLG-CYBMUJFWSA-N 393.443 2.586 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(NC3CC3)s1)OCO2 7577704 YGNYHSHBOUCDSG-UHFFFAOYSA-N 392.462 2.775 0 40 GFAB NC(=O)c1ccc(-c2nnn(CCOc3c(Cl)cccc3Cl)n2)cc1 7875654 CDYVDWWLFWCHQA-UHFFFAOYSA-N 378.219 2.825 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1OC 7929937 BLKACRJMZAMPGP-UHFFFAOYSA-N 397.475 2.667 0 40 GFAB CC(C)=CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 8231887 JRRCPLHLAHADFV-UHFFFAOYSA-N 395.506 2.816 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 8369088 PGKDIVGETNCHNM-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1 8412422 ZUGWPWQDJDGHEN-UHFFFAOYSA-N 396.321 2.992 0 40 GFAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1OC 8416735 ORGDOYBBWUTXHO-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1nc2ccccc2s1 8994183 CFWIQCLYVSMZBI-UHFFFAOYSA-N 380.429 2.718 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)c(O)c3)C2)cc1 9260761 UFTPANPSHHWNDV-INIZCTEOSA-N 376.434 2.520 0 40 GFAB FC(F)(F)c1nnc2ccc(N3CCN(CCc4ccccc4)CC3)nn12 9390097 LQFCHCMFLPPKPZ-UHFFFAOYSA-N 376.386 2.508 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 10364756 XYFVWFIUCYXPRO-LBPRGKRZSA-N 388.917 2.952 0 40 GFAB COc1cc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)ccc1N1CCCC1=O 11445897 KAACZZBHYCVLAW-UHFFFAOYSA-N 395.459 2.807 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)o2)cc1 11643431 GTMOPLOOVITAHR-HZPDHXFCSA-N 386.448 2.762 0 40 GFAB C[C@H](CC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1)n1cccn1 12220659 KRHNGHPNORXXGV-WBVHZDCISA-N 391.475 2.888 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C)cc3)n2)cc1OC 12653834 FRPONYYKSPRIEB-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB Cc1nc(C2(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)CCCCC2)no1 12771238 TXKOFDLGXHFILP-UHFFFAOYSA-N 384.415 2.996 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cn2c(=O)oc3ccccc32)CC1 12943971 GNWCDCBOGHNRIA-UHFFFAOYSA-N 394.427 2.918 0 40 GFAB CCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2NC(c3cccc(C)c3)=NN21 13123657 VZISQKSUAKNLMV-LJQANCHMSA-N 389.459 2.831 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(-c2ccccc2)ccc1=O 13604785 RPMLDLYHSJRTAZ-HNNXBMFYSA-N 381.407 2.633 0 40 GFAB COc1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 14000308 NSGVFFPVHZZAQD-QGZVFWFLSA-N 384.432 2.622 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCN(C(=O)C(C)C)CC1 14253895 RIBVFRYFVOYURT-IBGZPJMESA-N 376.541 2.832 0 40 GFAB CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 15842596 CCXPFZUMPJZWPF-UHFFFAOYSA-N 388.445 2.793 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2cc3cc(Br)ccc3oc2=O)C1 15862208 BGSBORCKANRXBG-SNVBAGLBSA-N 386.267 2.976 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 16042733 GQEDXGPXHWISOL-ADLMAVQZSA-N 375.421 2.713 0 40 GFAB biogenic CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 17077509 JIJROGLNYQYHBP-CZUORRHYSA-N 378.856 2.555 0 40 GFAB O=C(COC[C@H]1CCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294295 ZYTWRRYBYHGARN-DYQZNNLLSA-N 390.499 2.848 0 40 GFAB CCC(=O)N1CCO[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19498999 PZXBGIQGAHXYHL-QHCPKHFHSA-N 395.503 2.823 0 40 GFAB CCN1CCN(C(=O)CCOC)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527571 WYRQNGOBHLNDQH-NRFANRHFSA-N 395.503 2.635 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19693581 HULDIFCMNFCEKL-IBGZPJMESA-N 382.464 2.524 0 40 GFAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 22377838 FOLWKLKOHSHJFY-HNNXBMFYSA-N 376.478 2.729 0 40 GFAB O=C(C[C@@H](NCCNCc1ccccc1)C(=O)O)Nc1cccc(Cl)c1 22592409 YAELKNUBNSQHAA-QGZVFWFLSA-N 375.856 2.501 0 40 GFAB COc1ccc(CN(C)C(=O)CSc2nnnn2-c2ccccc2)cc1F 23273059 PCGNOLJQKCPZLB-UHFFFAOYSA-N 387.440 2.561 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 23752859 LKNPCEYCNIBACV-UHFFFAOYSA-N 398.488 2.552 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 28239079 SAMZDDSGPSVOCZ-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)no1 31115177 AVCCRWCTUJLNJC-GFCCVEGCSA-N 392.253 2.757 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 33587771 CCUHBJUTEDYGFM-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB Cc1cc(N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n2ncnc2n1 35313379 GELZBOYVLZIPKC-UHFFFAOYSA-N 394.523 2.734 0 40 GFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 35374957 HLJFSDOUDBCMRB-XGYURREPSA-N 389.883 2.515 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)cc1OC 38554785 LEYJGGOCIGKBEY-UHFFFAOYSA-N 395.463 2.612 0 40 GFAB O=C(CCN1CCC[C@@H](C(=O)Nc2cnccn2)C1)Nc1ccccc1Cl 40149659 VFGKOAPKFSCUKS-CQSZACIVSA-N 387.871 2.809 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1 43840697 PUXXFAASFZJKFU-AWEZNQCLSA-N 377.466 2.794 0 40 GFAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)c3ccn(C)c(=O)c3)cc12 44610932 BEQNYNZXVLPWJE-UHFFFAOYSA-N 380.400 2.989 0 40 GFAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCc3ccccc3C(F)(F)F)cc21 56164828 XFDRLNQUHOUIHL-UHFFFAOYSA-N 378.350 2.885 0 40 GFAB Cc1ccccc1C1(C(=O)NCc2cccnc2-n2cccn2)CCOCC1 57432558 JTOBBSZYSBGBPE-UHFFFAOYSA-N 376.460 2.940 0 40 GFAB CCn1c(SC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)nnc1-c1ccccc1 58210838 MRMKAPCPAJWCRP-HLLBOEOZSA-N 376.526 2.527 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1cc(S(N)(=O)=O)c(C)cc1C 58305535 LWCCLSFJZVPIJF-UHFFFAOYSA-N 376.478 2.540 0 40 GFAB COCCN(C)C(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)C1 58370787 QWSHBFLJAPPFAT-MJGOQNOKSA-N 390.524 2.921 0 40 GFAB O=C(NCCc1cn2ccccc2n1)NCc1ccc(-n2ccnc2)c(F)c1 67645405 UOTIEFCYHMILJQ-UHFFFAOYSA-N 378.411 2.701 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 69516276 XNFLZLBMNJDVTQ-UHFFFAOYSA-N 381.837 2.945 0 40 GFAB CCOC(=O)C[C@@H](c1ccccc1Br)c1oc(CO)cc(=O)c1O 71279530 WKYDIDZNUTWPNB-LBPRGKRZSA-N 397.221 2.685 0 40 GFAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)c2)n1 71768524 CIWKHMCGGABJNV-UHFFFAOYSA-N 392.394 2.949 0 40 GFAB CCCC(=O)N1CCc2nc([C@@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 72398793 HANCVCZBWWINCR-KRWDZBQOSA-N 386.521 2.853 0 40 GFAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCc2[nH]c3ccc(F)cc3c2C1 72400610 OLOPYHZKZZAGPP-UHFFFAOYSA-N 380.358 2.620 0 40 GFAB O=C(NC1CCCC1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 72400885 DYBLJKMJXACDKL-UHFFFAOYSA-N 388.811 2.753 0 40 GFAB CC(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)C1 78934917 MPBMWNZPPGKJPJ-DLBZAZTESA-N 395.544 2.739 0 40 GFAB COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)ccc1NS(C)(=O)=O 83923445 XOSHQYWMBIJTCP-KGLIPLIRSA-N 378.425 2.948 0 40 GFAB COc1cc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)c(OC)c2c1OCO2 85412108 MYMFGDJKSZNESN-GFCCVEGCSA-N 397.387 2.744 0 40 GFAB Cn1cc(C[C@H](CNC(=O)Nc2sc3ccccc3c2Cl)C(N)=O)cn1 89755383 ZDQRRIUFUUIGJU-LLVKDONJSA-N 391.884 2.754 0 40 GFAB COc1ccccc1C(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607886 KLFRCWPBRSYWAF-UHFFFAOYSA-N 390.447 2.586 0 40 GFAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(Cl)cc1 96520819 QIJJFSBITJWHTH-QMMMGPOBSA-N 392.496 2.862 0 40 GFAB Cc1ccc(S(=O)(=O)c2ccc(Cn3nc4ccccn4c3=O)cc2)cc1 96998175 JRBXSTIHXQGDIS-UHFFFAOYSA-N 379.441 2.686 0 40 GFAB COc1ccc(CCNS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)cc1OC 100309645 HYTNQNTURSDSAB-QRWLVFNGSA-N 395.521 2.561 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 100395310 FMKSDXUBMCDTLT-GTDBDLECSA-N 390.361 2.593 0 40 GFAB Cc1cc(C)n(C(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 101253257 ZUPWIBSQWPGFOD-GUDVDZBRSA-N 379.460 2.927 0 40 GFAB O=S(=O)(c1ccccc1)C1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccs1 101322977 DKIHERINWNCIKT-KBPBESRZSA-N 397.543 2.906 0 40 GFAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217507559 SAVKYSCSKULDJG-UHFFFAOYSA-N 384.498 2.834 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 222419126 WKZOZHMQSCUBGZ-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 223989841 IAAQDMSBCSZYCS-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB O=C(c1cccs1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544049 UEBFZAUPBSBPBZ-UHFFFAOYSA-N 386.452 2.856 0 40 GFAB COc1ccc2[nH]cc(CNC[C@H]3CC[C@@]4(COCCN(C(C)C)C4)O3)c2c1 248140707 BXAIKWSMRRCSFV-DENIHFKCSA-N 387.524 2.925 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)C)C2)cc1C 260712755 KCAQEOBTJZPWPK-HNNXBMFYSA-N 382.526 2.567 0 40 GFAB COC(=O)c1sc(NC(=S)NC(=O)c2cccc(C)c2OC)nc1C 408621406 MBJXNEPJJXMAJL-UHFFFAOYSA-N 379.463 2.682 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@@H]12 408917711 AGVORKGDFQYBGB-BHTHQVBYSA-N 395.196 2.514 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)c(F)c1 570946783 KGTWNXOKEGNSAW-GFCCVEGCSA-N 388.873 2.995 0 40 GFAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc(C4CC4)on2)C3)c1 575402843 CQZQJGWFBCBCHM-KRWDZBQOSA-N 383.448 2.846 0 40 GFAB Cn1cc(Cl)c(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 577471778 VDPWICSATCXTKQ-HXUWFJFHSA-N 387.915 2.881 0 40 GFAB Cc1cnc(OC2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)nc1 655258041 IIKPFYZWFSYABM-UHFFFAOYSA-N 377.448 2.713 0 40 GFAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CCO[C@@H]2CC2(F)F)C1=O 663938323 CASFEWGHYKEPKH-RISCZKNCSA-N 389.196 2.640 0 40 GFAB COc1cccc(-n2cc(C(=O)NCc3ccccc3Br)nn2)c1 1124874935 MSHUMOHTXWLALR-UHFFFAOYSA-N 387.237 2.968 0 40 GFAB Cc1cc(C(F)(F)F)nc(N[C@@]23CC[C@@H]2CN(C(=O)c2cccn2C)C3)n1 1614423279 ZITQHDDYBJWOQQ-SJKOYZFVSA-N 379.386 2.859 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)nc1 1615127007 CORKCPYROJYKPD-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1)Nc1ccccc1 1775964195 WHWVFNIAQLFQPI-INIZCTEOSA-N 392.419 2.650 0 40 GFAB biogenic,in-vitro Cc1cn2nc(OCC3CCN(C(=O)Cc4c(C)noc4C)CC3)ccc2n1 1888890445 PNDABFUDZVPGDN-UHFFFAOYSA-N 383.452 2.503 0 40 GFAB CCOc1ccc2nc(N3CCC(NS(=O)(=O)C4CC4)CC3)sc2c1 1889149143 FWIYTGYQPOYPTP-UHFFFAOYSA-N 381.523 2.746 0 40 GFAB CC(C)n1nccc1C(=O)N1CC[C@H]2[C@@H](COCCN2c2cccc(F)c2)C1 2037985286 DSIKHTGDQYMKMB-APWZRJJASA-N 386.471 2.971 0 40 GFAB COc1ccc2cc(CN(CCO)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 879660 OTUITUDLRWRPMP-UHFFFAOYSA-N 383.473 2.728 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1 1351320 CGXSEKNFDBEPMS-UHFFFAOYSA-N 377.466 2.946 0 40 GFAB O=C(N[C@@H](Cc1ccc(N(CCF)CCF)cc1)C(=O)O)c1ccccc1 1631142 FFOGPIIAKXVFCM-SFHVURJKSA-N 376.403 2.858 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)c1cc(=O)n(C)c2ccccc12 79189085 IMNJBBHTSWXFRX-UHFFFAOYSA-N 375.428 2.932 0 40 GFAB biogenic O=C(CCCc1cccs1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23011520 PQRCARHWIQEURZ-UHFFFAOYSA-N 387.505 2.980 0 40 GFAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(c2ccc(F)cc2)CC1 79483886 YLRIWWAUSCVEKN-UHFFFAOYSA-N 386.475 2.502 0 40 GFAB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCN(c2ccncc2)CC1 47774001 CGGDOWQXHCNFOB-UHFFFAOYSA-N 397.475 2.801 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1oc2ccc(Br)cc2c1C 3522844 ZADQBOFQOXYJDI-SECBINFHSA-N 397.225 2.895 0 40 GFAB O=C(Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCCN1C(=O)c1cccs1 12528366 LUCUSCLPQVTQRQ-HNNXBMFYSA-N 381.461 2.962 0 40 GFAB O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCN(c2cnccn2)CC1 12558837 RPHVCZFRMCJSPA-UHFFFAOYSA-N 398.470 2.837 0 40 GFAB Cc1cccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 6860439 WIURXHJYOQONKF-UHFFFAOYSA-N 389.502 2.536 0 40 GFAB CN1C(=O)[C@@]2(N=C(N)NC(Nc3cc(Cl)cc(Cl)c3)=N2)c2ccccc21 19325489 LBYBUHLRQNNVFC-QGZVFWFLSA-N 389.246 2.509 0 40 GFAB COCc1c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)sc2cccc(F)c12 12567672 LKAHUIYPTIQIQT-UHFFFAOYSA-N 396.440 2.968 0 40 GFAB CCOc1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12506443 HYLCOQNJKJIIBH-SFHVURJKSA-N 379.420 2.693 0 40 GFAB CN(C)C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](O)c1ccccc1 43492339 FVOYFDJHOJREMR-UTKZUKDTSA-N 399.491 2.881 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)C1 9051940 BCAQIMHSVSDKHQ-HKZYLEAXSA-N 383.448 2.704 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 27063983 GVZSAPTWIGPASG-XPYUAMARSA-N 375.538 2.850 0 40 GFAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 48290697 XXDATOACHIBTRG-QGZVFWFLSA-N 384.549 2.772 0 40 GFAB Cn1ncc(C(=O)O)c1C(=O)Nc1nc2ccc(Br)cc2s1 20614664 BEDJAVZWUPIAOE-UHFFFAOYSA-N 381.211 2.743 0 40 GFAB CCCCN(CC(N)=O)CC(=O)Nc1cccc(CSc2ccccn2)c1 50960166 UKVYTYLAWUIDGE-UHFFFAOYSA-N 386.521 2.900 0 40 GFAB CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCC(C(=O)O)CC2)C1 20462817 YZPSOYGSZQHPSN-IRXDYDNUSA-N 396.528 2.549 0 40 GFAB biogenic,in-vitro O=C(Nn1cnc2ccccc21)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12740350 STAFXWUDVKKEKZ-GFCCVEGCSA-N 399.248 2.922 0 40 GFAB COc1ccc(C(=O)COC(=O)c2cc3cccc(OC)c3oc2=O)cc1OC 10384602 MIMRHEMDORPXMI-UHFFFAOYSA-N 398.367 2.859 0 40 GFAB biogenic CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1S(C)(=O)=O 58439234 JGPVXYSOTATEIG-UHFFFAOYSA-N 375.446 2.524 0 40 GFAB CN1CCCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cn2)CC1 48324608 MBALZNTTXLSXDI-UHFFFAOYSA-N 390.491 2.544 0 40 GFAB O=C(O)c1ccc2c(c1)c([C@H](C(=O)O)N1CCOCC1)cn2Cc1ccccc1 36354326 YYWVAUQSGMNWEE-HXUWFJFHSA-N 394.427 2.846 0 40 GFAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 48366916 BXHLFXKPLGWECD-UHFFFAOYSA-N 390.443 2.767 0 40 GFAB COc1nc(Oc2ccc(C(=O)O)cc2)nc(Oc2ccc(C(=O)O)cc2)n1 2303611 PJVLXPBRMUDUMO-UHFFFAOYSA-N 383.316 2.861 0 40 GFAB CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 2473942 SNZSDTRRGFGHBZ-OAHLLOKOSA-N 398.843 2.604 0 40 GFAB CCNC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 12822065 XZSDOFZOBKEEOB-DTWKUNHWSA-N 377.666 2.511 0 40 GFAB Cn1ccs/c1=N\C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 45611816 AJWUXFIALLSHHA-WXVFVKJXSA-N 379.441 2.770 0 40 GFAB C[C@H]1CCCN(C[C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 55407199 SUFUKTFASVRDSI-QKNQBKEWSA-N 385.552 2.704 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nncn2-c2cccc(Cl)c2)CC1 29617033 VTRRUSNWWZTVNV-CYBMUJFWSA-N 379.917 2.565 0 40 GFAB O=C1N[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859130 ONSSMENOOLOIFH-CPUCHLNUSA-N 382.313 2.930 0 40 GFAB Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2 11913928 SFWKTYGTBMLMJH-SNVBAGLBSA-N 392.506 2.558 0 40 GFAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 3501654 HQBWZPJGSRIQCC-LLVKDONJSA-N 399.432 2.519 0 40 GFAB O=C(CSc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12923799 AELDLDZBZPUQFA-UHFFFAOYSA-N 393.490 2.707 0 40 GFAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCC(N)=O 408960188 DFJSOJWHNFMQCB-MHWRWJLKSA-N 384.413 2.800 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCC2 13011885 SGAXGLHIHBGUJU-IBGZPJMESA-N 397.500 2.877 0 40 GFAB Cc1ccccc1-c1noc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1 13240535 PEFYIDQAUVRSNB-INIZCTEOSA-N 380.404 2.540 0 40 GFAB NC(=O)C1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 20673063 ZKXJSCRBDXJNEM-MOEXGYKKSA-N 376.460 2.637 0 40 GFAB O=C(NCCN1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 13676734 UHXKPZHBLWDEKW-UHFFFAOYSA-N 387.505 2.703 0 40 GFAB CN(C(=O)CNC(=O)c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1 4571565 MXHOCXCPBKFHRX-UHFFFAOYSA-N 385.508 2.637 0 40 GFAB O=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccco3)Cc3cccs3)cc2[nH]1 7686485 RMEWUQONMYNVEJ-UHFFFAOYSA-N 389.458 2.902 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1 7750291 SNVGJRIYCPBWAI-UHFFFAOYSA-N 397.884 2.984 0 40 GFAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7837765 GJFUBJDWXLFDHD-PKOBYXMFSA-N 394.471 2.904 0 40 GFAB O=C(COC(=O)c1cccnc1N1CCOCC1)Nc1ccc(Cl)cc1F 16289483 YOMRTBGGCSIEDM-UHFFFAOYSA-N 393.802 2.506 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8072398 HPKLTTRHOHKWFG-OAHLLOKOSA-N 378.450 2.979 0 40 GFAB CCCCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C(C)=O)cc1 8329211 IRBZMQZDHWISQC-UHFFFAOYSA-N 392.477 2.589 0 40 GFAB COc1ccc([C@](C)(NC(=O)Cc2cc(C(C)=O)ccc2OC)C(=O)O)cc1 95463986 QXKNLCBCUIZZST-NRFANRHFSA-N 385.416 2.565 0 40 GFAB C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(-n2ccnc2)cc1 18048612 UINXPWYITXFBRL-OAHLLOKOSA-N 383.473 2.908 0 40 GFAB O=C(CCCc1ccc(Br)s1)N1CCN(c2ncccn2)CC1 8775974 TZRJGWXZPGQMCQ-UHFFFAOYSA-N 395.326 2.972 0 40 GFAB COc1ccccc1CN(C)C(=O)Cc1c(C)nc2nc(SC)nn2c1C 8877389 OMWISISVRCTUEW-UHFFFAOYSA-N 385.493 2.673 0 40 GFAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCC(=O)NC(C)C 96831495 XOJOWQUBFGTUNP-LFIBNONCSA-N 385.464 2.754 0 40 GFAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccsc1 25328954 RRQSPCSZVMICST-CQSZACIVSA-N 388.461 2.777 0 40 GFAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 113936529 OOYZKESXLYDDBG-QGZVFWFLSA-N 389.521 2.794 0 40 GFAB CN1CCN(Cc2nccs2)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306140955 VHNKUFSQIOVVNP-KRWDZBQOSA-N 382.537 2.880 0 40 GFAB Cn1cc(O)c(=O)cc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 1557253533 KFURFWWLPIERSU-UHFFFAOYSA-N 385.807 2.862 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccncc2)C1=O)Nc1ccc2c(c1)OCCO2 409194050 KQLICQAPKUBTDB-CXUHLZMHSA-N 397.412 2.528 0 40 GFAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NC[C@@H]1CCS(=O)(=O)C1 524732484 HYDFHLFDJFHIQH-WMLDXEAASA-N 380.897 2.672 0 40 GFAB O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCN(Cc2cscn2)CC1 531591436 PULNPIJKSMJTML-INIZCTEOSA-N 388.493 2.661 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 72355415 YPMXNCXMLWRYJH-HNNXBMFYSA-N 381.411 2.586 0 40 GFAB Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(SCc2cccc(C(F)(F)F)c2)o1 36708464 HCCPALFEGPYAQH-UHFFFAOYSA-N 398.366 2.657 0 40 GFAB CCOc1cc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2C)ccc1OC 223864868 RVROMNNVISNNIS-UHFFFAOYSA-N 393.461 2.667 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 223623589 NWOPADUFICAEKF-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB O=C(NCc1ccc(-c2cccnc2)cc1)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 570258909 NQXAKICDIUVHIH-HBMCJLEFSA-N 381.476 2.820 0 40 GFAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225157736 BHSXTNRLMIKYRK-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44933566 NOKIOGRCROWFOV-KXBFYZLASA-N 388.489 2.708 0 40 GFAB CCOCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224261190 WYLJDQCREAHZJG-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)s2)cc1 224229291 LUXPZZFHQHZNBM-BNOWGMLFSA-N 392.506 2.566 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 577075779 YZSLZCODOXFUFC-LBPRGKRZSA-N 382.342 2.680 0 40 GFAB COc1ccccc1CNC(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 90609666 GASBSFMRCAODNE-CQSZACIVSA-N 387.505 2.588 0 40 GFAB O=C(c1ccccc1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145348 ZQBBGTNNVUSHIF-WOJBJXKFSA-N 384.501 2.753 0 40 GFAB CC(=O)N1CCN(c2ccc3ccc(C(=O)Nc4ccc(C)nc4)cn23)CC1 96155976 BGKJYIXZEPJONB-UHFFFAOYSA-N 377.448 2.564 0 40 GFAB CCN1C[C@@H](NC(=O)c2occc2CN2C(=O)Cc3ccccc32)C(C)(C)C1 1646585600 APJGLOGKZVBKMG-GOSISDBHSA-N 381.476 2.829 0 40 GFAB COC1CCN(Cc2cn(Cc3ccc(OCc4ccccn4)cc3)nn2)CC1 640994872 WJJQOVCASJVQCM-UHFFFAOYSA-N 393.491 2.911 0 40 GFAB O=C1[C@H](O)CCCCN1Cc1nc(-c2ccc(Oc3ccccc3)cn2)no1 650639639 XRVQPYLMPAKCAB-QGZVFWFLSA-N 380.404 2.797 0 40 GFAB O=C(c1ccc(Br)o1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365627 XUHOMUXUJSDPKH-LBPRGKRZSA-N 384.251 2.731 0 40 GFAB CC(C)n1cnc(S(=O)(=O)NCC(O)(c2cccs2)c2cccs2)c1 390826735 BKDLKOXSWZWSPM-UHFFFAOYSA-N 397.547 2.801 0 40 GFAB COc1cc(CN(C)C[C@H](O)COc2ccc(C)cc2C)ccc1OCCO 585262499 GYWGMHPZQFWVLI-IBGZPJMESA-N 389.492 2.555 0 40 GFAB COc1ccc2nc(O)c(CNC(=O)c3cc(C)nc4c3c(C)nn4C)cc2c1 585294383 DNRAIZLLENDOOM-UHFFFAOYSA-N 391.431 2.778 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3OC)no2)c1=O 823024275 KWXGOYXYDBSQFA-UHFFFAOYSA-N 392.415 2.680 0 40 GFAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1 5001697 FUTSXIVUGUKJJK-UHFFFAOYSA-N 382.445 2.766 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)C1 12157932 ROWWRESUKADIAD-QZTJIDSGSA-N 399.491 2.947 0 40 GFAB COc1ccc(/C=c2/sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1OC 13551733 PHTJHVJRXSLIDT-GZTJUZNOSA-N 379.441 2.691 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1C 19571038 GCECLMVBCBZBIO-INIZCTEOSA-N 377.444 2.799 0 40 GFAB Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(C(=O)CC1CCCCC1)C2 19701378 JZHWHEYECGQWQA-OAHLLOKOSA-N 387.509 2.912 0 40 GFAB Cc1nc(N)cc(CC2CCN(C(=O)C[C@@H](C)n3nc(C)c(C)c3C)CC2)n1 19758422 PBFXGZVOTFDAJB-CYBMUJFWSA-N 384.528 2.921 0 40 GFAB CCN(CC)C(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2 643575045 CNHUNKVPTVCTHQ-UHFFFAOYSA-N 396.487 2.898 0 40 GFAB O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CC(=O)N(CCOc2ccccc2)C1 30952991 BOYNUCDRSGNEDM-KYWQTCFSSA-N 382.504 2.855 0 40 GFAB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccco2)c(C)n1Cc1ccccc1 6101195 HLGFUBPLEOZMFM-UHFFFAOYSA-N 394.427 2.902 0 40 GFAB CS(=O)(=O)c1ccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1 1888863798 UGEHUBVSDWPVIB-UHFFFAOYSA-N 386.464 2.564 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@@](O)(c1ccoc1)c1cccs1 245020811 MIGFUTVVYSADCR-QGZVFWFLSA-N 397.449 2.703 0 40 GFAB COCCOc1ccc(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cc1 2037983731 DIZWAEPAMDWHDS-QFIPXVFZSA-N 390.524 2.704 0 40 GFAB Cc1cnn(C)c1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988671 CWTHNXPOXJQUGU-OAQYLSRUSA-N 386.471 2.656 0 40 GFAB COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccccn3)n2n1 4327029 ZNAOJBGUIAYERJ-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB COCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(Cl)cc1 9661117 WIVUSONNCPNJQC-UHFFFAOYSA-N 397.826 2.548 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 9828178 XNMUQEZVSUZLSH-UHFFFAOYSA-N 390.461 2.577 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)c1 225715362 CMIPMNNFPUDRHG-OAHLLOKOSA-N 393.490 2.590 0 40 GFAB Cc1nc(-c2ccc(N3CCN(C(=O)/C=C\c4ccccc4)CC3)nc2)no1 42380482 HSYSIJWBRZVKFR-YFHOEESVSA-N 375.432 2.802 0 40 GFAB Cn1cc([C@H]2CN(C(=O)[C@@H]3COc4ccccc4O3)Cc3ccccc32)cn1 575618521 IQQFYCKQJPMTPQ-NQIIRXRSSA-N 375.428 2.734 0 40 GFAB CCc1ccccc1N1C(=O)/C(=C/C(=O)OC)N=C1Nc1nc(C)cc(C)n1 101161376 MKEWKTXOXVURJO-PTNGSMBKSA-N 379.420 2.527 0 40 GFAB Cc1c(C(=O)N[C@@H](C)Cn2ccnc2)cnn1-c1ccc(C(F)(F)F)cn1 40092465 PCLSXFCFWYOIFP-NSHDSACASA-N 378.358 2.610 0 40 GFAB COC(=O)/C(=C/Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)cc1 100025283 DKWRZIGHVLJVNN-YBEGLDIGSA-N 383.372 2.874 0 40 GFAB CC(C)C[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N1CCOCC1 40104931 BBNTWSQUCHLTKM-HXUWFJFHSA-N 385.512 2.800 0 40 GFAB COc1ccc(CN(C(=O)c2csc(NC(C)=O)n2)C2CC2)c(OC)c1 30845352 RHEBXAUGQUZYEP-UHFFFAOYSA-N 375.450 2.924 0 40 GFAB Cc1c(C(=O)NCCCOC(C)C)nnn1-c1ccc(Br)cc1 51318048 KAOCDDGMHVEVMZ-UHFFFAOYSA-N 381.274 2.883 0 40 GFAB Cc1ccc(-n2nnc(C(=O)N3CCN(c4ccccn4)CC3)c2C)cc1Cl 51317440 RXFHQFDKOKWEHD-UHFFFAOYSA-N 396.882 2.895 0 40 GFAB CC(=O)N1CCCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 101436601 HJKMHGDRMGTXJD-RCDYEMGKSA-N 383.330 2.801 0 40 GFAB CCn1c(S)nc2cc(C(=O)N[C@H](C)CC[C@H]3CCCO3)ccc2c1=O 102043483 KVFUDCGVNDOCDO-TZMCWYRMSA-N 375.494 2.783 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 32873831 RMJJUUHBUIWFGZ-UHFFFAOYSA-N 399.495 2.590 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 800661 FTHKJKMSCXSDBW-INIZCTEOSA-N 396.443 2.847 0 40 GFAB Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 932410 NTGBETAUVNPDPY-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB C[C@@H](O)[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938080 XTMIDCQCTISXHT-BUWDMPIASA-N 387.002 2.730 0 40 GFAB O=C(COC(=O)CCc1nc2ccccc2s1)NC(=O)Cc1ccccc1 2630504 MXWGYHAYVUPKIQ-UHFFFAOYSA-N 382.441 2.658 0 40 GFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2640052 KTNDHSIUUXOUNW-HXUWFJFHSA-N 383.835 2.696 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2)cc1 2711407 YRCFBKDRZBJSDA-UHFFFAOYSA-N 389.502 2.939 0 40 GFAB O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3216528 JETTZKKHBICLIA-UHFFFAOYSA-N 386.370 2.824 0 40 GFAB COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1 4161527 HCIODTRQWCYKMA-UHFFFAOYSA-N 379.467 2.680 0 40 GFAB COc1ccc(CN(C(=O)c2ccccc2OC)[C@H]2CCS(=O)(=O)C2)cc1 4182923 PBRXRDHAQNDLFS-INIZCTEOSA-N 389.473 2.533 0 40 GFAB Cc1ccccc1Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5251880 BTXSZKVBMAOFIV-UHFFFAOYSA-N 399.454 2.710 0 40 GFAB CCCCN(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 5427430 DFEXLMAWAPETNI-UHFFFAOYSA-N 392.502 2.722 0 40 GFAB CNc1nnc(-c2nn(-c3ccc(OC)cc3)c(=O)c3c(N)scc23)s1 5510575 BPRRFEJCHXEEDK-UHFFFAOYSA-N 386.462 2.598 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)c1C 5934750 SFOFUHZYOWSXCY-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 6238212 FAPOSOWGNRHRGU-UHFFFAOYSA-N 396.877 2.941 0 40 GFAB COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1cccnc1 7276825 UGAQTAFEGJDQFL-LBPRGKRZSA-N 381.270 2.902 0 40 GFAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)s1 7347960 GAVFYHOZXMWWJA-VIFPVBQESA-N 380.857 2.754 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1C 7978492 RZQMPVOZCMWGLR-UHFFFAOYSA-N 390.509 2.728 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 8036990 IMHRZDSBIUPUGA-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C)C)cc2)nc(C)n1 8195567 DTVHYFJGRJJRDV-UHFFFAOYSA-N 377.470 2.814 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)NCCCc3ccccc3)C(=O)[C@H]2C)cc1 8342416 GTDVQNWMLADQEX-QGZVFWFLSA-N 379.460 2.901 0 40 GFAB CSc1ccc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1NC(C)=O 8750040 YDHTULGKPDMPAG-UHFFFAOYSA-N 389.477 2.804 0 40 GFAB CC[C@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)NC1=S 8997354 FJMLSUBLPZDWFA-SVBQJQNYSA-N 391.924 2.893 0 40 GFAB COc1ccc(N2C[C@H](CNC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1 9039156 AFSWGLDPARMHQV-AWEZNQCLSA-N 399.447 2.887 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Br)cc1F 9244974 IYOODUOJMJQFPV-UHFFFAOYSA-N 376.185 2.937 0 40 GFAB Cn1cc(C(=O)Nc2cccc(F)c2)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 9820328 LZUBIQVDKFMGMV-UHFFFAOYSA-N 396.353 2.548 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2c(C)noc2C)c1 10543179 SLYHTWBMWXFUSJ-UHFFFAOYSA-N 379.482 2.812 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 10904105 VYZLGMCFKNKDOX-LJQANCHMSA-N 394.519 2.956 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc(C(C)C)no1 11253608 DNNJWOWNWYRNMQ-UHFFFAOYSA-N 394.859 2.969 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)c3ccncc3)CC2)C1 12366416 OJDATHSVKFRFKE-JOCHJYFZSA-N 379.460 2.888 0 40 GFAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCCc1c[nH]cn1 12663602 QKGKWFFVYJVXRC-UHFFFAOYSA-N 389.411 2.921 0 40 GFAB biogenic COc1cccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)c1 12769533 MBLYULCXZGUQOR-QFIPXVFZSA-N 395.459 2.904 0 40 GFAB Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 12806939 FFVVRYUJGXIYNM-UHFFFAOYSA-N 379.409 2.708 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)s1 12907088 PISIXWANERYVLQ-INIZCTEOSA-N 378.519 2.647 0 40 GFAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)COc2cccnc2)CC1 13267638 UOYWUGRIWWKIDM-UHFFFAOYSA-N 390.443 2.514 0 40 GFAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)c1 13858183 ZYJWPWDLWFUSJA-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)C[C@@H](C)O1 14070783 OSTJCEOILDDHPC-OKILXGFUSA-N 392.452 2.876 0 40 GFAB CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)NC)c1C 14198842 JNPDSTUCUKEAMQ-UHFFFAOYSA-N 390.461 2.783 0 40 GFAB CN(CC(=O)Nc1ccnn1C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 14514348 BZRUBLBHZMFZID-UHFFFAOYSA-N 396.900 2.911 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)n1 14900856 GZMRSBUWMLPMIW-ZDUSSCGKSA-N 387.461 2.778 0 40 GFAB Cc1nn(Cc2noc(C(=O)NC3CCCCC3)n2)c(C)c1Br 15082722 UGTBXDZCVFGJOB-UHFFFAOYSA-N 382.262 2.756 0 40 GFAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCN(c3ccccc3)CC2)c1 17358350 OCNCRFLHKYOGQB-UHFFFAOYSA-N 393.516 2.891 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)[C@H]3CCCO3)CC2)C1 19019880 ADRNTUJXKSHVGU-AATLZSDMSA-N 386.492 2.746 0 40 GFAB Cc1cc(-c2cn(CCO)nc2[C@H]2CCCCN2C(=O)Cc2cccnc2)on1 19121340 UTLAYEUWKWTWNW-GOSISDBHSA-N 395.463 2.530 0 40 GFAB CC1CCN(C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)CC1 19424594 FNJPDCNYQRPMQV-UHFFFAOYSA-N 379.507 2.597 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c(C)c1C 19556174 RKZNSZRKKUNESD-KSSFIOAISA-N 396.539 2.601 0 40 GFAB Cc1oc(C2CC2)cc1C(=O)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19582544 SRZJHYVNHBNMGB-MRXNPFEDSA-N 382.464 2.727 0 40 GFAB Cc1nccn1CCC1CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1 19657096 KTWXPXYTXXFKCO-IBGZPJMESA-N 382.464 2.610 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCC(=O)N2C 19696339 MYVGEUYWFHHTFZ-INIZCTEOSA-N 396.466 2.782 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F)C(C)C 20737065 YNQHUAADWODWLL-DOTOQJQBSA-N 392.406 2.543 0 40 GFAB O=C([C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1)N1CCCCC1 21733414 FVDYEAURRTYAAZ-DLBZAZTESA-N 387.509 2.698 0 40 GFAB Cc1cccc(CN2CCN([C@@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c1 22095508 VYOSTDGKJLIISG-IBGZPJMESA-N 383.511 2.999 0 40 GFAB CCOc1c(Br)cc(Cl)cc1NC(=O)CN1CSCC1=O 22312388 NAWOIDDOFSXJLB-UHFFFAOYSA-N 393.690 2.973 0 40 GFAB CC[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 23434515 SRNNLHFJIHABQR-KRWDZBQOSA-N 386.473 2.797 0 40 GFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2cnccn2)CC1 24618007 OXOKLMWVEVXUNN-UHFFFAOYSA-N 379.489 2.795 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1nc2ccc(Cl)cc2s1 27985655 DTIJZFUHWRVUIX-UHFFFAOYSA-N 386.824 2.943 0 40 GFAB Cc1c(Br)c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nn1C 28306268 OJIXLGORVDLBLI-UHFFFAOYSA-N 395.276 2.588 0 40 GFAB O=C(CCc1nc(-c2cccs2)no1)NCC(=O)Nc1ccc(F)c(F)c1 32768342 FTNRMIAGBLJWMP-UHFFFAOYSA-N 392.387 2.764 0 40 GFAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 32895751 NUJOYCPWMBWKSL-JTDSTZFVSA-N 382.526 2.966 0 40 GFAB O=C1S/C(=C\c2ccccc2)C(=O)N1CCC(=O)N1CCCC[C@@H]1CCO 33586012 OPISTLJTCJWDJU-DXFLKOCDSA-N 388.489 2.877 0 40 GFAB Cc1cc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)n2ncnc2n1 35313383 ABOQLKVMRMGKNH-UHFFFAOYSA-N 398.898 2.661 0 40 GFAB Cn1nc(NC(=O)COc2ccccc2F)c2c1NC(=O)C[C@@H]2c1ccco1 35597884 FFVOIOHCAKDPGX-LLVKDONJSA-N 384.367 2.644 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 36091142 WAKXFFGOLYIAHU-IBGZPJMESA-N 375.494 2.535 0 40 GFAB COCc1nnc(NC(=O)CCCCCn2cnc3ccccc3c2=O)s1 36358756 AXAASBXLDMBZHK-UHFFFAOYSA-N 387.465 2.594 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1Cl 38757265 SZVJJGGAPZRCJG-LBPRGKRZSA-N 388.917 2.904 0 40 GFAB CC(=O)Nc1nc(COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cs1 39606705 KQJNWCUZMBGFOP-QMMMGPOBSA-N 377.447 2.891 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](c3ccco3)N(C)C)cn2)C[C@@H](C)O1 40121071 VFXDGFIUJNPKDQ-INMHGKMJSA-N 387.484 2.713 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(Cl)c1 40266698 CGCUVIYLQJPEHH-QGZVFWFLSA-N 394.834 2.813 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cn2ccc3c(Br)cccc32)CC1 40268524 CGHQWMSBKWBTSG-UHFFFAOYSA-N 394.269 2.705 0 40 GFAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCN1CCc2ccccc2C1 45918408 LKSMHIOGDYOBBL-OAHLLOKOSA-N 385.895 2.633 0 40 GFAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H]1c1nnc2ccccn12 47304542 IMMCDBCKCYTYRN-ZDUSSCGKSA-N 391.460 2.929 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(OCc2ccccn2)c1 48252266 CHZKNOBUWIDKPY-OAHLLOKOSA-N 379.416 2.688 0 40 GFAB COc1ccc(C(=O)N2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1OC 49171051 VZFFLAITEKCTBW-HNNXBMFYSA-N 380.404 2.779 0 40 GFAB biogenic,in-vitro O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCc2ccccc2C1 49411171 MFYCJJNYEPTHIQ-UHFFFAOYSA-N 388.475 2.851 0 40 GFAB O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(OC[C@H]2CCCO2)cc1 54628892 MPIGDRFCSPTRDG-LJQANCHMSA-N 378.432 2.755 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccnc(-n3cccn3)c2)C[C@H](c2ccccc2)O1 67591816 KZXUPRGRCYMGQR-VQIMIIECSA-N 377.448 2.939 0 40 GFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1cc(N)ccc1F 72309077 IAULSHZSOALDLG-CYBMUJFWSA-N 393.484 2.833 0 40 GFAB COc1cc(Cl)c(OC)c2sc(NC(=O)c3nccnc3C(=O)O)nc12 72401461 BFHPBQMEDOKUMV-UHFFFAOYSA-N 394.796 2.707 0 40 GFAB O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 90612607 VIZIDOZPVWSZNO-SNVBAGLBSA-N 375.855 2.532 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 95476442 MCNYRIBVLOWOKF-UHFFFAOYSA-N 392.463 2.820 0 40 GFAB O=C(O)CC[C@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 95992009 QOZMTADFYMSFFZ-LLVKDONJSA-N 398.253 2.937 0 40 GFAB CC(C)(C)n1cc(C(=O)Nc2ccnn2C[C@@H]2CCOC2)c(Br)n1 96001947 WDZPHMPMHLSOBN-NSHDSACASA-N 396.289 2.886 0 40 GFAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(OC)cc3)ccc21 96182207 CTEPFFRKSUWWJU-UHFFFAOYSA-N 382.416 2.745 0 40 GFAB Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)s1 96243642 BULGYXQTOJXBRX-KRWDZBQOSA-N 388.537 2.668 0 40 GFAB CCOC(=O)[C@H](Cc1cc(-c2ccccc2Cl)on1)CN1CCN(C)CC1 96316085 JELAZEWGZNGTFU-OAHLLOKOSA-N 391.899 2.964 0 40 GFAB COc1ccc(CN(C)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OC 96316503 ZKGGZOJUKGMLHB-UHFFFAOYSA-N 399.447 2.590 0 40 GFAB CCCc1cc2c(cc1NC(=O)CCN1C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C1=O)OCO2 100774856 SGTIHBHERQMZMX-WZBLMQSHSA-N 398.459 2.728 0 40 GFAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@@H]21 103088836 MNXBSYVVUROKIR-UNQWWWNPSA-N 377.400 2.937 0 40 GFAB Fc1ccc([C@H](CNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)N2CCOCC2)cc1 103190482 YEABGOAQHOLJOV-JZGRTCEGSA-N 377.529 2.852 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C 106541137 BTIXHIAHTXHLNC-VUHPKUFZSA-N 378.538 2.913 0 40 GFAB Cc1ccc(F)cc1CN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 108531560 PTSFKHLYTOSBPR-SFHVURJKSA-N 396.528 2.730 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(CO)CO 218474286 HVOACNFBDFSBJO-HZPDHXFCSA-N 387.284 2.904 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccnc(OC2CCOCC2)c1 253398080 GLTLRLMWWUIOCL-UHFFFAOYSA-N 383.448 2.728 0 40 GFAB COC(=O)CNC(=O)C1(Cc2cccc(-c3ccc(OC)cc3)c2)CCOCC1 257197523 CASMKGVBZPRNAD-UHFFFAOYSA-N 397.471 2.991 0 40 GFAB Cn1cc(-c2cccc([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)cn1 257291359 QGPSYROTCRTDCY-FQEVSTJZSA-N 380.423 2.764 0 40 GFAB Cc1cccc(CN2CCN(c3nccn4c(-c5cccnc5)cnc34)CC2)n1 306143949 YRQBXEVXEQKAFD-UHFFFAOYSA-N 385.475 2.817 0 40 GFAB COc1ccn2c(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cnc2c1 516456926 VLLAHQRLCVVDPY-GUDVDZBRSA-N 377.444 2.988 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCC[C@@H](CCO)c2cccs2)cc1 575619409 DVMLGECBFRLGDH-INIZCTEOSA-N 395.546 2.757 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 585106721 GMPDJDMPKZERML-XUZZJYLKSA-N 392.499 2.861 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172754 FAPBOLLIVNAKOX-OAQYLSRUSA-N 394.515 2.894 0 40 GFAB Cc1cc(Br)ccc1[C@H]1CCCN1CCc1cn(CC(=O)O)nn1 629373058 JGUOQMHDXLAUPX-MRXNPFEDSA-N 393.285 2.813 0 40 GFAB CN1CCN(Cc2ccc(C(=O)N3CCC(C)(N4CCCC4)CC3)cc2)CC1 633944345 QUZKDYXRCVJZEA-UHFFFAOYSA-N 384.568 2.525 0 40 GFAB Cc1nnc(CN(C)C(=O)N[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)s1 661152067 VGEPZNPQMOWYPH-RDJZCZTQSA-N 398.492 2.704 0 40 GFAB O=C(O)[C@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 669494016 BISVLYLADSXLDM-CYBMUJFWSA-N 381.841 2.705 0 40 GFAB O=C(NC[C@]1(O)CCCc2occc21)C(=O)Nc1ccccc1C(F)(F)F 1565523166 HTLMREYBWOPECV-QGZVFWFLSA-N 382.338 2.577 0 40 GFAB O=C(c1nccs1)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615127840 HTOQUGXKOQMGEK-IBGZPJMESA-N 389.452 2.711 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888878929 BXUSFMZHXQGMSC-BTYIYWSLSA-N 379.460 2.895 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@H]4CN(c5ccccn5)C[C@@H]43)c2O1 1889197925 LMNSCCVISNEIKF-ROUUACIJSA-N 393.487 2.911 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889214373 SFUXRHMXMKBRDJ-UHFFFAOYSA-N 393.447 2.756 0 40 GFAB Cn1c(=O)c2c(-c3cccc(F)c3)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 780617 LAOOHNQKYSQYKU-IBGZPJMESA-N 389.386 2.500 0 40 GFAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 3551940 MFCVYVYLBQNPDF-UHFFFAOYSA-N 375.446 2.756 0 40 GFAB COc1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 4388390 ZSDGAINOGMRYMO-UHFFFAOYSA-N 383.427 2.855 0 40 GFAB CC(=O)NCc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)s1 7385884 IAWRJPVQEJCUJN-UHFFFAOYSA-N 387.486 2.527 0 40 GFAB COc1ccc(-c2noc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)n2)cc1 23865249 ROSIKBSZXHRDAL-UHFFFAOYSA-N 377.404 2.614 0 40 GFAB Cc1n[nH]c(C)c1CCC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 106392379 OADSRMDHGFRFCE-UHFFFAOYSA-N 393.491 2.959 0 40 GFAB CC(C)[C@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 24988646 RADICHKFKDQPQA-HNNXBMFYSA-N 381.325 2.629 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)C[C@@]3(C(=O)O)CCSC3)cc2F)C[C@@H](C)O1 106866312 IODVYTRKSYWVOX-VPZZIHKRSA-N 396.484 2.976 0 40 GFAB CCc1nc(C)c2c(C)c(C(=O)N3CCN(c4cnccn4)CC3)sc2n1 25343692 MHSPJRKRFDJLJM-UHFFFAOYSA-N 382.493 2.623 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1 48007462 NQJVJRSIYGJCFM-UHFFFAOYSA-N 383.448 2.832 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 48164034 ICDIKJVLNYCCBL-MRXNPFEDSA-N 388.431 2.752 0 40 GFAB COc1ccc(Oc2cc(CNS(=O)(=O)N3CCC[C@@H](C)C3)ccn2)cc1 48279605 RUQRDMUQTHBBMF-OAHLLOKOSA-N 391.493 2.949 0 40 GFAB COCCNC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 44919847 HUVIOSBJISLZSW-UHFFFAOYSA-N 394.353 2.938 0 40 GFAB Cc1ccc(CNC(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 12774801 UFCWWKJINBCJFN-UHFFFAOYSA-N 381.524 2.655 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C 109423644 OSKZQKCNYMRNRX-UHFFFAOYSA-N 389.521 2.865 0 40 GFAB O=C(C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1)N1CCCC1 54389668 AUQPLBOAUNBOEC-UHFFFAOYSA-N 376.464 2.630 0 40 GFAB COC(=O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 22519386 VSNRRSWJZZLGHT-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB O=c1oc2cc(S(=O)(=O)N3CCCC3)ccc2n1Cc1ccc(F)cc1 11689652 ADULYJLEXHXGKT-UHFFFAOYSA-N 376.409 2.566 0 40 GFAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 55546713 JIJDJRNSTIYXSO-UHFFFAOYSA-N 397.294 2.929 0 40 GFAB COc1ccc2c(CC(=O)OCCN3C(=O)c4ccccc4C3=O)coc2c1 2628054 DTKVGPLAOQHADZ-UHFFFAOYSA-N 379.368 2.823 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(Cl)c2)Oc2ccccc21 10009085 AVDWJZVGUGNOIK-MRXNPFEDSA-N 380.853 2.896 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2621455 ZMQFUCLHXQFFFW-FQEVSTJZSA-N 383.835 2.696 0 40 GFAB O=C1NC(=O)C2(CCN(C(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)N1 48364216 ULNUXOXZKBQGPZ-UHFFFAOYSA-N 384.263 2.517 0 40 GFAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccccc2F)CC1 306136962 QHOXDGZRCWYQNV-UHFFFAOYSA-N 383.471 2.538 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1 3452008 SQPPXSMLSZHAGY-UHFFFAOYSA-N 389.404 2.825 0 40 GFAB CN(C)CCCN(CCCN(C)C)C(=O)c1ccc(Br)cc1F 48402258 ZRRSMNDOUNBGKJ-UHFFFAOYSA-N 388.325 2.934 0 40 GFAB COc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc(OC)c1OC 13690002 IWXFNMUHGYHLKV-CQSZACIVSA-N 396.447 2.775 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 6150473 KDSGLOKJBNBFIY-GOSISDBHSA-N 380.444 2.568 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 84200101 BEVCPMJSRKAGBI-KRWDZBQOSA-N 375.469 2.708 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 6324388 OXXLUTSKRVQONV-KFWWJZLASA-N 396.443 2.766 0 40 GFAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(F)cc1 14076644 XTBDIXGEDOANIF-UHFFFAOYSA-N 380.485 2.531 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccc(F)cc1F)C2=O 14187401 BQWGVNUVLLECPV-DKXWOSEQSA-N 379.407 2.643 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 4512508 RFIOQJMASPDAIK-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1nn(-c2cccc(Cl)c2)ccc1=O 5451040 PIZFCQUWHOLAKI-UHFFFAOYSA-N 383.791 2.925 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)s1 97164868 GRXLKQABSUWMDB-UHFFFAOYSA-N 387.284 2.917 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)o1 6810289 ZSFZETCYNZUONT-HNNXBMFYSA-N 397.880 2.836 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2)C1=O 6936468 JOJGVXUFPUJZED-NRFANRHFSA-N 379.416 2.685 0 40 GFAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1 409057407 PLQWVFWKJUXVCQ-NAGXTHEASA-O 388.422 2.842 0 40 GFAB COc1ccccc1N1CCN(C(=O)CN2CCC[C@@H]2c2cccn2C)CC1 7251268 JVORVSKCVODWRS-LJQANCHMSA-N 382.508 2.519 0 40 GFAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccccc1N1CCCC1 9515737 AGCGRLZUNPMGQU-CQSZACIVSA-N 386.521 2.906 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)NCCCn1ccc2ccccc21 7988876 BCGOVPWWSZTFRB-UHFFFAOYSA-N 379.460 2.976 0 40 GFAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1c(F)cccc1F 8039114 PQVBUTOGKAQJRS-MRXNPFEDSA-N 398.369 2.548 0 40 GFAB COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)NC1CCCC1 16641182 LPRGRLHVYNHDAD-UHFFFAOYSA-N 381.479 2.625 0 40 GFAB CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(OCC)cc1C 8132939 ZAEOOLLGZLYLDV-UHFFFAOYSA-N 393.461 3.000 0 40 GFAB Cc1cc(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 16774887 CNLOFRWUPLBYEC-KBPBESRZSA-N 378.519 2.669 0 40 GFAB COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(OC)cc4)c(=O)n3n2)cc1 16807433 FPISCZOHBIXXIK-NTIJCTKGSA-N 391.452 2.886 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F 8723861 DUMBMTCAUQDWOX-UHFFFAOYSA-N 392.452 2.800 0 40 GFAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccccc2F)CC1 96793765 GYXQSQFANSHGJE-MRXNPFEDSA-N 381.451 2.561 0 40 GFAB CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccccc2Cc2ccccc2)C1=O 95406606 HPIUWFZMFFWRPU-WZONZLPQSA-N 391.471 2.728 0 40 GFAB O=C(O)CN(C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1 95989442 SBMPNTFEIKURLZ-UHFFFAOYSA-N 386.370 2.681 0 40 GFAB Cc1cnc(N)c(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)c1 89580162 UXFKTTQRJYYQDY-UHFFFAOYSA-N 375.372 2.692 0 40 GFAB Nc1nn(C(=O)CCCC(=O)n2nc(N)c3c(F)cccc32)c2cccc(F)c12 89800212 CJOYDTVZXKXRRM-UHFFFAOYSA-N 398.373 2.980 0 40 GFAB O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2ccc(F)cc2)C1 306143045 XRQDSHJYXQDXNT-QFIPXVFZSA-N 376.435 2.992 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 408552734 NJYRWDWOMOBWOU-CYBMUJFWSA-N 390.461 2.512 0 40 GFAB CCOC(=O)Nc1cc(S(=O)(=O)NCCCOC(C)C)ccc1OCC 408586680 PORZJTRGXBYVGW-UHFFFAOYSA-N 388.486 2.747 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OCC 408696383 ASEAHYYPKKRTAS-UHFFFAOYSA-N 396.896 2.967 0 40 GFAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)ccn1 35424808 YZFRVBBUFRPNBY-KRWDZBQOSA-N 381.436 2.889 0 40 GFAB biogenic,in-vitro COC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218109857 JHEDPLCZGSRVMN-UFYCRDLUSA-N 375.490 2.535 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NC[C@@H]1CCCO1 217580477 KXVMMZMXCRRPNN-AWEZNQCLSA-N 382.482 2.587 0 40 GFAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC[C@H](C)N2CCOCC2)s1 46268443 NQOVCBGIZOZWKN-ZDUSSCGKSA-N 377.485 2.637 0 40 GFAB COCc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 223638949 SRXGGAVJUASVOG-UHFFFAOYSA-N 382.869 2.891 0 40 GFAB O=C(c1cc2c(cn1)OCCO2)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 573914461 AUKDXEHIMXDYTK-OAHLLOKOSA-N 391.431 2.658 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)CCc2c(OC)cccc2OC)c2ccccc2O1 225993215 VGKIHWQCJGODNW-IBGZPJMESA-N 385.416 2.604 0 40 GFAB CC(C)Cc1cc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)nn1C 95475225 KHXWHMLFUVKFHW-UHFFFAOYSA-N 376.877 2.839 0 40 GFAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCc1nnc2ccccn12 95476899 SGLRBJDNYYHEKJ-UHFFFAOYSA-N 380.839 2.940 0 40 GFAB CCN1CCC[C@H]1CNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 95480868 FIYSNFKLNQPDMP-ACBHZAAOSA-N 396.535 2.803 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCC2CCN(C)CC2)[C@@H]1c1ccccc1Cl 257315553 VBXJSHXYXLHHKA-APWZRJJASA-N 377.916 2.708 0 40 GFAB COc1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1OC 36602044 JZWDUDALYOZMHO-OAHLLOKOSA-N 383.404 2.823 0 40 GFAB biogenic CN(C)c1ccc([C@H]2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)nn1 643729400 XSWTZDJXVJLCTC-KMPLBFFLSA-N 383.540 2.620 0 40 GFAB CCOc1ccc(Oc2cc(CNC(=O)N3CC[C@@H](F)[C@H](N)C3)ccn2)cc1 659439118 FAELEACERCYQEM-QZTJIDSGSA-N 388.443 2.853 0 40 GFAB CSc1cccc(NC(=O)C(=O)NC[C@H](OCCO)c2ccc(C)cc2)c1 96338267 PZGMTKNWFXVZER-SFHVURJKSA-N 388.489 2.522 0 40 GFAB Cc1noc(C)c1-c1nc(N(C)CCc2cn[nH]c2)ncc1-c1cnccn1 72337518 WYLQKAGBGCPDLR-UHFFFAOYSA-N 376.424 2.607 0 40 GFAB Nc1c(I)c(F)c(F)c(F)c1I 1083802101 BENZJRHPAGMLGB-UHFFFAOYSA-N 398.891 2.895 0 40 GFAB CO[C@@H]1CCN(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)C1 1565522491 JBJXGEKXJVTVQX-GOSISDBHSA-N 386.471 2.552 0 40 GFAB Cc1ccc(C[C@@H](CC(=O)Nc2nncs2)C(=O)Nc2nncs2)cc1 5000409 UDOOZVSJDBCJQU-LBPRGKRZSA-N 388.478 2.524 0 40 GFAB CN(C(=O)c1cccc2nccnc12)c1nc2c(s1)CCc1c-2cnn1C 12146141 MEAKDTWZSJVZCS-UHFFFAOYSA-N 376.445 2.862 0 40 GFAB NC(=O)C1CCN(C(=O)CCn2c(-c3ccc(F)cc3)cc3cccnc32)CC1 12327421 XABNHHRZWUTQSS-UHFFFAOYSA-N 394.450 2.956 0 40 GFAB Cc1ccc(OCCN(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 15102811 WZTVLWWJJJNJBW-UHFFFAOYSA-N 397.519 2.777 0 40 GFAB Cc1cc(C)n2nc(C(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)nc2n1 16101850 PHKJOCKSHSBQDP-UHFFFAOYSA-N 389.463 2.816 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1 16740378 GFAJXDKQEKGRCB-CYBMUJFWSA-N 390.461 2.941 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)COc1ccccc1)C2 19017348 MMXYNOTYVVSVFR-HXUWFJFHSA-N 394.475 2.514 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)c4cc5ccccc5o4)C3)ncc2C1 19018728 QJITWVNCDQVKRA-MRXNPFEDSA-N 390.443 2.757 0 40 GFAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(CCCOc2ccccc2C)C3)C1 19237408 WROXZKJJPUQVAG-LJQANCHMSA-N 394.519 2.948 0 40 GFAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3snnc3C)CC2)c1 19749714 CNPICDIFFHYYPS-HNNXBMFYSA-N 388.493 2.622 0 40 GFAB CCCC(=O)N1CC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 19751745 FVPSZWLHSRIGQB-QGZVFWFLSA-N 396.491 2.840 0 40 GFAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)CC2CCCC2)cc(N(C)C)n1 19760206 VXDKNBIZWWAPAZ-SFHVURJKSA-N 387.528 2.765 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 12157959 IDSXNVVPYROING-WMLDXEAASA-N 387.461 2.601 0 40 GFAB COc1ccc(CC(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)cc1 12365743 YXFBGAPHOHIKIO-IBGZPJMESA-N 387.505 2.810 0 40 GFAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3278900 OGNYZCYDOCMRAZ-JTQLQIEISA-N 392.333 2.867 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 5005061 OVTHHRJIJKVBEE-GUYCJALGSA-N 391.493 2.570 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(c5cc(C(F)(F)F)ncn5)C[C@H]4C3)n1)CCC2 1888869816 FSSCGTXNACWQOO-STQMWFEESA-N 390.413 2.655 0 40 GFAB O=C([C@@H]1COc2ccccc2C1)N1CCC(COc2ccc3nccn3n2)CC1 1888908452 XXEKFGGBGBZADQ-SFHVURJKSA-N 392.459 2.598 0 40 GFAB CCSc1ccccc1C(=O)NCc1nnc2ccc(N3CCCC3)nn12 238877247 OJDGGKKFUHBTBV-UHFFFAOYSA-N 382.493 2.767 0 40 GFAB CC(=O)N1CCC2(CC1)C[C@H](Cc1nccc(Nc3ncc(C)s3)n1)CO2 2037834924 IIZQCKCJYVAQDO-HNNXBMFYSA-N 387.509 2.945 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037850115 YWYAINKLUBDUGH-NRFANRHFSA-N 383.448 2.720 0 40 GFAB O=C(CCc1ccc[nH]1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542439 ZXDBNAJMQLERMT-RBBKRZOGSA-N 383.492 2.957 0 40 GFAB COc1ccc(CNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC 1428901 UYIIYBUDDBGQTP-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(F)c3)[nH]c2=O)cc1 5154667 NBDPWRQLXMWJNT-UHFFFAOYSA-N 384.436 2.934 0 40 GFAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)NCc1ccccc1Cl 13702027 PTEPPPQTLRGKGU-UHFFFAOYSA-N 376.869 2.887 0 40 GFAB Cc1cc(OC2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cc(=O)o1 206971406 UYVRLBMSUGJGBY-HWKANZROSA-N 383.400 2.760 0 40 GFAB Cn1nccc1-c1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cn1 575622228 YAMDXTCOEVEDJV-UHFFFAOYSA-N 376.460 2.847 0 40 GFAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)n1 585389549 HXBYQTOMEFCRFV-GFCCVEGCSA-N 389.399 2.887 0 40 GFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O 248159617 FVKQFELKGIGCNI-KSVNGYGVSA-N 389.883 2.517 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1nnc(-c2cccs2)o1 10402562 PMGRRKZMYKTDJD-UHFFFAOYSA-N 378.431 2.867 0 40 GFAB COc1cc(C)c([C@@H](C)NC(=O)c2cccnc2N2CCOCC2)cc1OC 40134314 VJOXVOSOECUAAC-OAHLLOKOSA-N 385.464 2.735 0 40 GFAB CCc1nnsc1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 40113924 OFAAZQLYCPMNDT-UHFFFAOYSA-N 390.484 2.717 0 40 GFAB C[C@H]1Sc2ccc(C(=O)NCc3cccnc3-n3cccn3)cc2NC1=O 31228841 HSAHQOJCTRZBSC-GFCCVEGCSA-N 379.445 2.630 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCCC4=O)c(=O)c23)cc1C 31747944 KUKCQFDWYGOCDK-UHFFFAOYSA-N 381.457 2.891 0 40 GFAB COC(=O)c1cnc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)s1 31949479 GXTCMQJBFBKBFO-UHFFFAOYSA-N 397.338 2.782 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)c1ccccc1 32674854 GJXNJSOTCHHMRP-DNVCBOLYSA-N 399.516 2.670 0 40 GFAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C)cs1 32722023 VGRGHGKBEWXXQH-HZMBPMFUSA-N 392.506 2.543 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC3(c4ccccc4)CC3)c(C)c12 32827335 QBYNIZDFHSZWMN-UHFFFAOYSA-N 378.476 2.659 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc(Br)c1 103062717 AYHKFDUIRQJMMA-CQDKDKBSSA-N 393.281 2.802 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCN(C)CC2)sc2c1CC[C@@H](C)C2 22037156 WMFHFNDQFCIIRZ-ZIAGYGMSSA-N 393.553 2.624 0 40 GFAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nnnn21 954695 SNIXUBSOLZCOBO-GOSISDBHSA-N 376.420 2.918 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)s1 1324958 QHZKVUOGXFKMMD-GFCCVEGCSA-N 394.522 2.773 0 40 GFAB C[C@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 2656640 SHJZFUFTTPVSLP-LBPRGKRZSA-N 379.382 2.852 0 40 GFAB O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(Br)cc1 3282215 ZRZVSEXFVOOKLC-UHFFFAOYSA-N 382.235 2.667 0 40 GFAB Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1 4119493 JZWYIRYKKYBXJU-ROUUACIJSA-N 399.450 2.780 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@]3(C)C[C@H]2c2ccccc2O3)c(C)c1 4269649 ISUMHDGMVGMXKU-WGGBDISSSA-N 394.471 2.975 0 40 GFAB CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)c2ccccc2c1=O 4325944 RZLUXHPSFIPLTL-LBPRGKRZSA-N 383.379 2.740 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1 4476854 MRBCMIQSCZUUDG-QFIPXVFZSA-N 377.444 2.889 0 40 GFAB COc1cc(NCCCCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1 4707214 YWYYLZXQHXSWBU-UHFFFAOYSA-N 385.516 2.872 0 40 GFAB COc1ccc(N(C(=O)c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 5080828 HBZQHSWUELDEMF-HNNXBMFYSA-N 391.420 2.800 0 40 GFAB COc1cccc(CNC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 5210922 DTJFOXXVWGTBJZ-UHFFFAOYSA-N 393.443 2.971 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Cl)cc1Cl 5482475 DPJHZKQMKAHFMO-ZDUSSCGKSA-N 375.277 2.976 0 40 GFAB CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 5613895 ZHYQBEIZWJHOKP-LJQANCHMSA-N 390.480 2.852 0 40 GFAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 5953973 ZQMYMMLWEHGEMP-UTUOFQBUSA-N 376.478 2.967 0 40 GFAB Cc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 6373280 HKMZNWQUMSFCOL-YFHOEESVSA-N 384.417 2.831 0 40 GFAB Cc1nnc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)o1 7680175 LKBXBBBPNZSSNF-UHFFFAOYSA-N 387.417 2.560 0 40 GFAB CCCCS(=O)(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 8038081 BXJKRTSRWNYSAI-OAHLLOKOSA-N 387.548 2.983 0 40 GFAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)NC2(CCCC2)C1=O 8194480 YSNUPRJZARWXQA-HNNXBMFYSA-N 384.480 2.869 0 40 GFAB Cc1cc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nc2ccccc12 8725848 UKQUEMIRUXPTSR-UHFFFAOYSA-N 397.500 2.823 0 40 GFAB CCn1c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1C1CC1 9157140 DUPZCNSBNDZZPL-UHFFFAOYSA-N 380.495 2.522 0 40 GFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(CN2CCCC2)cc1 9451317 JQLZTZXZYACGOQ-RTBURBONSA-N 381.476 2.562 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1OC 10008895 ZBMFRDYHLHZKCV-UHFFFAOYSA-N 398.868 2.908 0 40 GFAB CCN(CC)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10433904 ZVIXOIRZJGQQPC-UHFFFAOYSA-N 376.906 2.763 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 11519263 YOBRYUAKOXXMEJ-UHFFFAOYSA-N 394.378 2.860 0 40 GFAB COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694795 FZECIAXZDKRWLL-VMDGZTHMSA-N 393.447 2.954 0 40 GFAB COc1ccc(CCNC(=O)c2cnc3c(OC)cccc3c2O)cc1OC 12498445 SYVSPTQASOFTIZ-UHFFFAOYSA-N 382.416 2.939 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 12526814 ZGEWWUBYXRSVQY-CQSZACIVSA-N 381.432 2.947 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1C 12920466 CKRDASPWKMYGSZ-HKUYNNGSSA-N 393.487 2.968 0 40 GFAB COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)Nc3ccccc3)n2)c1 13602209 VVGOZTDQVSMGJT-UHFFFAOYSA-N 394.431 2.749 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(Cl)cc2)cc1 14232556 IIQNTLZZQVLLHV-UHFFFAOYSA-N 380.897 2.928 0 40 GFAB CCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 14353532 DPGSVUBFUCGCCX-UHFFFAOYSA-N 380.897 2.975 0 40 GFAB COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc2c(c1)OCO2)CC3 15842183 XUWWKYXNMUVMKK-UHFFFAOYSA-N 384.413 2.724 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 16199841 ANLVBZXJRVMQKG-LBPRGKRZSA-N 399.419 2.609 0 40 GFAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 17326664 JHUYJCAUGLZJAC-CHWSQXEVSA-N 376.482 2.642 0 40 GFAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc3ccccc3s2)CC1 19198236 YUXQBFFRBBNNJY-UHFFFAOYSA-N 390.461 2.795 0 40 GFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)CC)C1 19498682 CCNNRUWZRKODOV-QFIPXVFZSA-N 380.492 2.841 0 40 GFAB CCCc1cc(C(=O)N2CCO[C@@H](c3nc(Cc4cccs4)no3)C2)no1 19525357 SHULBRCIJUYOEZ-OAHLLOKOSA-N 388.449 2.876 0 40 GFAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2ccncc2)C1 19696017 MWJAGCKCDNXWNK-QFIPXVFZSA-N 390.443 2.558 0 40 GFAB CCn1c(C)nc2cc(NC(=O)CCN3CCN(c4ccccn4)CC3)ccc21 19717434 LEGFYBOSHVTNQU-UHFFFAOYSA-N 392.507 2.910 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](C)c3ccc(OC)cc3)ccc21 19936877 VSSLBAFRXMXZMW-GFCCVEGCSA-N 376.434 2.663 0 40 GFAB Cn1cccc1[C@H](CNS(=O)(=O)c1cccc2ccccc12)N1CCOCC1 21154359 PBZGSRNNMPUQHF-FQEVSTJZSA-N 399.516 2.530 0 40 GFAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1 21472109 IVWPXZVTJFIGCK-UHFFFAOYSA-N 393.237 2.883 0 40 GFAB COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(Cl)nc1 22074765 FPBJYWBKHJPLAW-UHFFFAOYSA-N 391.899 2.744 0 40 GFAB CCC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851493 NTHNWXNEQVUQJJ-LJQANCHMSA-N 399.466 2.944 0 40 GFAB CCc1nc2ccccc2n1CC(=O)N(C)CC(=O)Nc1cccc(OC)c1 24590769 XHJLYNBACCHKOY-UHFFFAOYSA-N 380.448 2.704 0 40 GFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nnc(C(C)C)s1 24864280 XBGLEDXWCJOWBH-UHFFFAOYSA-N 380.495 2.663 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 25218278 WPMPWKOITJPOQI-HNNXBMFYSA-N 390.505 2.756 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc(Cl)c1 25247257 SBIVUJBTBRRDOO-UHFFFAOYSA-N 390.958 2.898 0 40 GFAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1 25425447 KCSSARFKNKMYIP-UHFFFAOYSA-N 390.487 2.910 0 40 GFAB CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@@H](c2ccccc2)C1 26938377 HZJBUGBPVGRTHN-RTWAWAEBSA-N 393.487 2.933 0 40 GFAB Cc1nonc1COc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 28403935 UQRHEIYJYFVVPX-UHFFFAOYSA-N 394.387 2.565 0 40 GFAB C[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 29510304 MIXIPCQGRNIAJG-CABCVRRESA-N 384.929 2.999 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 30849802 WJJBQZNKDSBOPK-UHFFFAOYSA-N 377.418 2.592 0 40 GFAB CC(C)c1c(C(=O)NCc2ccnc(-n3cccn3)c2)cnn1-c1ccccn1 30885971 DCRWJJOMRPUHQK-UHFFFAOYSA-N 387.447 2.901 0 40 GFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 32760545 SBLLGOMBJNWMSY-OAHLLOKOSA-N 391.475 2.866 0 40 GFAB COc1ccc(C)cc1NC(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1 35597350 WMTJOSFNJKYYJY-UHFFFAOYSA-N 395.467 2.830 0 40 GFAB CCOC(=O)CCC(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 35597667 SOPRFDQAIPFKMF-UHFFFAOYSA-N 375.400 2.925 0 40 GFAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O 40127777 XGMHZXQJFCRNCD-IBGZPJMESA-N 391.349 2.900 0 40 GFAB CC(C)[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N(C)C1CCCCC1 42944156 FKBCKBIQUYZLPK-NSHDSACASA-N 379.452 2.919 0 40 GFAB CN(CC(=O)Nc1ccc(SC2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 45906935 GSUUDYLMLLDTQB-OAHLLOKOSA-N 382.551 2.779 0 40 GFAB COc1ccccc1-c1n[nH]c(NC(=O)CCCNC(=O)c2ccsc2)n1 48248110 YCYWTXXBSUZHEF-UHFFFAOYSA-N 385.449 2.691 0 40 GFAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)N1CCCCC1 57487069 YBNOZODCAICGCD-UHFFFAOYSA-N 380.404 2.946 0 40 GFAB CNC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 67254917 WIYKZRPNXHIQPY-KRWDZBQOSA-N 375.375 2.930 0 40 GFAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N[C@H](C)CC(C)(C)OC 72297560 RUENAOMMTVIQGW-GDBMZVCRSA-N 396.553 2.867 0 40 GFAB CC(=O)N1CCN(c2ncc(-c3cnccn3)c(-c3ccc(C)s3)n2)CC1 72340294 NDAPGUXFZDDXCY-UHFFFAOYSA-N 380.477 2.639 0 40 GFAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)c3cnccn3)nc(C)n2)s1 72360271 QHHBNPKPOPEICJ-AWEZNQCLSA-N 396.480 2.710 0 40 GFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N(CCO)CCOCC(F)(F)F 84139827 BSSVKNPACOYKGT-UHFFFAOYSA-N 383.794 2.897 0 40 GFAB Cc1cc([C@@H](O)CCNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)o1 90613459 VXGHCYSPXIRWAK-SFHVURJKSA-N 394.493 2.893 0 40 GFAB COC(=O)c1ccc(OC(C)C)c(NC(=O)N2CCC[C@H]2c2nncn2C)c1 95453505 MOOUFLWRCZLVOA-HNNXBMFYSA-N 387.440 2.758 0 40 GFAB O=C(NCc1ccc(-n2cncn2)cc1)c1ccc(-c2nnc(S)o2)cc1 95939775 XTHIXRDTCJKGFW-UHFFFAOYSA-N 378.417 2.536 0 40 GFAB COC[C@H]1CCCN1C(=O)c1ncc(Br)cc1Br 95940238 AVXOHVHQJUURGY-SECBINFHSA-N 378.064 2.858 0 40 GFAB O=C(CN1CCC(c2nnc3ccccn23)CC1)N1CCC[C@H](C(F)(F)F)C1 95958653 IVJDEWVCULLARD-HNNXBMFYSA-N 395.429 2.710 0 40 GFAB COc1cc(=O)n(CC(=O)NCCc2ccccc2)nc1-c1ccc(Cl)cc1 96100871 OWVVTCDEEXMDHC-UHFFFAOYSA-N 397.862 2.931 0 40 GFAB COc1cccc([C@@H](CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)OC)c1 96390144 KZBDWXJBAWKOQI-LJQANCHMSA-N 391.489 2.535 0 40 GFAB COc1cc(-c2nc3[nH]c(-c4ccccc4)cc(=O)n3n2)cc(OC)c1OC 100071863 ZNFSKQFQWGEFIK-UHFFFAOYSA-N 378.388 2.777 0 40 GFAB CCc1nnsc1C(=O)N(C)Cc1cc([C@H]2CC[C@H](CNC)CC2)nn1C 100687674 WZARPIZDCIGLMP-OKILXGFUSA-N 390.557 2.599 0 40 GFAB COc1ccc(-c2csc(C3=C(O)CN(CCCO)C3=N)n2)cc1OC 102722187 RFVCCKMEMGILNF-UHFFFAOYSA-N 375.450 2.772 0 40 GFAB C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1nncn1C 103593445 GUTSDOWKYRDCIP-CYBMUJFWSA-N 381.440 2.515 0 40 GFAB Oc1cccc([C@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)c1 112000015 ADYSPYAPRZFMOJ-INIZCTEOSA-N 393.794 2.889 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C 223417015 BSAYJQGCXOOVHC-LJQANCHMSA-N 384.476 2.936 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 224191147 LERRHEPNFBJYBT-UHFFFAOYSA-N 395.912 2.555 0 40 GFAB COCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224266823 QUNOVIFQZYQZGV-UHFFFAOYSA-N 396.896 2.931 0 40 GFAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224618337 OTENWXAPTDUQRF-GFCCVEGCSA-N 396.538 2.822 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)C1 250711443 YIEFTPDPRPLHBN-LPHOPBHVSA-N 380.444 2.747 0 40 GFAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)nc(N)n1 257289316 PYCSSVQDCLEFJT-MOPGFXCFSA-N 393.491 2.553 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2F)o1 553079455 RDZATFCQMYZTJP-CJNGLKHVSA-N 394.468 2.924 0 40 GFAB Cc1nccc(O[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 575611144 AQVCNZVITYUYEL-GFCCVEGCSA-N 388.276 2.934 0 40 GFAB Cc1ccc(C)c(C(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)c1 575617035 MSKWPRHDOQXCFQ-UHFFFAOYSA-N 378.432 2.591 0 40 GFAB O=C(N[C@@H]1c2nccn2CCC12CCN(C(=O)c1ccsc1)CC2)C1CC1 585091869 NAAQYGURCZELGR-MRXNPFEDSA-N 384.505 2.838 0 40 GFAB CCn1cc(S(=O)(=O)N(C[C@H](C)N(C)C)c2c(C)cccc2C)nc1C 585138502 WVLAXNKGSWYGLY-INIZCTEOSA-N 378.542 2.974 0 40 GFAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 635741096 BIVZTTDHRHXLDY-QGZVFWFLSA-N 396.495 2.621 0 40 GFAB O=C(O)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc21 669435288 AQUWTVWLYMKOAK-WBVHZDCISA-N 385.464 2.519 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)OCc3ccccc3)C[C@H]2CN)C1 953075627 GUIGOAQUCMVWJX-UTKZUKDTSA-N 389.496 2.841 0 40 GFAB O=C(CCN1CCCCCC1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161618 ZUOBKUMCKFHKHR-QHCPKHFHSA-N 399.535 2.677 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc1 1775969337 LYTFFVMMFGDETM-MRXNPFEDSA-N 376.478 2.878 0 40 GFAB Cc1ccnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)n1 1888897058 BPOAMRUAYVMXPC-UHFFFAOYSA-N 396.520 2.999 0 40 GFAB COc1cnc(OC2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)nc1 1889139204 RCHGTRSVEPJEIF-UHFFFAOYSA-N 382.342 2.583 0 40 GFAB Cc1csc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037988937 OFPKIRREFXLYAB-UHFFFAOYSA-N 375.469 2.989 0 40 GFAB O=C(N[C@@H]1CCC12CCN(C(=O)/C=C/c1cccs1)CC2)c1cnccn1 2055803577 LPAKSJTVWNLVGA-REMYHPOOSA-N 382.489 2.753 0 40 GFAB Cc1cccc(NC(=O)CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298117631 CMOWRCPTMXMHCJ-INIZCTEOSA-N 379.451 2.903 0 40 GFAB COc1ccc(OC)c(NC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 78975141 LQGCPLVAQKBAPX-UHFFFAOYSA-N 395.410 2.645 0 40 GFAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cccc(OC)c1OC 815852 RQHZCPGYDMLIFC-UHFFFAOYSA-N 375.421 2.627 0 40 GFAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 23018956 ZQFQKMXAUVNBJX-RUDMXATFSA-N 375.402 2.747 0 40 GFAB Cc1nnc2sc(SCC(=O)c3ccc(Br)cc3)nn2c1=O 4569836 UUZYUIRGBBGMOZ-UHFFFAOYSA-N 397.279 2.592 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 6642523 IARDPDSGTZXRQJ-UHFFFAOYSA-N 391.807 2.980 0 40 GFAB CCCCn1nc(C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 6834025 NJTYSBOJLAOXMA-OAHLLOKOSA-N 393.443 2.766 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)CC)cc1Cl 7881262 TYWICKMZMMAUOU-LBPRGKRZSA-N 376.906 2.664 0 40 GFAB Cc1csc(=O)n1CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 12548222 HDBAVLSQPJMQQE-INIZCTEOSA-N 390.896 2.901 0 40 GFAB C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)N[C@@H]1CCCC[C@@H]1C 106899686 UKPQPLKFCIELAZ-YQQAZPJKSA-N 385.464 2.796 0 40 GFAB O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 107645932 OEWIFPHHFRBCFH-ILXRZTDVSA-N 382.755 2.545 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCn1cc(Br)cn1 28239782 XRZRGGMAOQHNDR-UHFFFAOYSA-N 388.269 2.878 0 40 GFAB COC(=O)c1cccc(COC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1 101878146 LIAJRVNALMRKRI-WZGNDQMWSA-N 385.460 2.992 0 40 GFAB COc1ccc(OCCN2CCN(C(=S)N[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 103345262 UXGQLPXJZZCQBY-MBOZVWFJSA-N 389.565 2.755 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cn2)C[C@@H](C)O1 58055788 QPEQVPBAZRRHOI-GASCZTMLSA-N 378.436 2.528 0 40 GFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2cccnc2)on1 48234503 JRCJAAQMZCSBLX-GOSISDBHSA-N 390.399 2.732 0 40 GFAB COc1ccc(S[C@@H](C)C(=O)NCc2ccnc(N3CCOCC3)c2)cc1 48237513 MTAQVKANELCAGX-HNNXBMFYSA-N 387.505 2.724 0 40 GFAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1OC 2236194 GSXRZKOTXMSZQE-IBGZPJMESA-N 395.411 2.738 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(c2ncccn2)CC1 36393459 CPPURYUIOXQYAX-HNNXBMFYSA-N 381.480 2.860 0 40 GFAB Cc1cc(NC(=O)CCN2C(=O)COc3ccccc32)n(Cc2ccccc2)n1 12895432 OZLXFKSKBWHWLG-UHFFFAOYSA-N 390.443 2.994 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(F)cc1 20462446 ZSOHPTZHOXTESJ-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccccc1SCC(=O)N1CCCC1 84582110 ROHPBPDTGGZCAE-NQIIRXRSSA-N 396.512 2.789 0 40 GFAB CN(Cc1nc2ccccc2[nH]1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 29332109 GUGQSIVQKVYUJA-UHFFFAOYSA-N 380.492 2.854 0 40 GFAB Cc1cc(I)ccc1NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 46115878 XOUBLJQSSSHZTB-GFCCVEGCSA-N 398.244 2.797 0 40 GFAB CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OC(F)(F)C(F)F)c2)S1 2601853 PKYBVLZWEDVYJW-NSHDSACASA-N 379.335 2.924 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 12927951 GVCMCHHZDJLEDC-IRXDYDNUSA-N 394.493 2.713 0 40 GFAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1 13121975 OHVDRDXOXGFHNM-IRXDYDNUSA-N 399.476 2.805 0 40 GFAB Cc1ccc(Oc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1C 13511939 YNKFIMLPLGLTIF-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB N=C(NC1=N[C@H](CC(=O)Nc2cccc(Cl)c2)C(O)=N1)Nc1ccccc1 13683416 QGJFNYISYBGCCY-CQSZACIVSA-N 384.827 3.000 0 40 GFAB CCCCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 4251462 OHAGFVXUQHBIMY-AWEZNQCLSA-N 381.480 2.564 0 40 GFAB COc1ccc(C2=NO[C@H](CNC(=S)NCc3ccc4c(c3)OCO4)C2)cc1 5137301 LHCKWHJYBJCQDU-INIZCTEOSA-N 399.472 2.581 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2cn(C)c3ccccc23)c1C 5261575 SCPUYQWIKYIHPI-UHFFFAOYSA-N 393.443 2.707 0 40 GFAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(C(=O)OCC)cc2)C1=O 4475715 HVVZXVNMGYGKOV-UHFFFAOYSA-N 389.452 2.693 0 40 GFAB O=C(CN1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1)NC1CC1 14169619 VYHOICWEQYZSFP-UHFFFAOYSA-N 395.956 2.635 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)NCCOc3ccccc3OC)cc2C1=O 14237166 XCFQQXWIFKZINV-UHFFFAOYSA-N 396.443 2.900 0 40 GFAB COc1cccc(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[nH]2)c1OC 5488759 BNAOJGXEIVGBQL-MRXNPFEDSA-N 381.436 2.799 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)OCCOc1ccc(Cl)cc1 6580411 BOBMXXXWRACOLF-UHFFFAOYSA-N 389.843 2.532 0 40 GFAB C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 95456685 GGXGBLPNGBDFRD-MRXNPFEDSA-N 392.434 2.723 0 40 GFAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC1(C(=O)NCC2CC2)CCCC1 95460867 XCKAQTBVSXDODX-UHFFFAOYSA-N 398.507 2.848 0 40 GFAB COc1cccc(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nnn[nH]2)c1OC 5681742 OOGQLMZJVGFIAM-OAHLLOKOSA-N 381.436 2.799 0 40 GFAB Cc1n[nH]cc1CNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 68271571 LIRPFUOZBPYLEG-UHFFFAOYSA-N 391.353 2.521 0 40 GFAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16695728 KCNYGSSHLFTDMT-RDTXWAMCSA-N 384.480 2.572 0 40 GFAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 16964330 HPODVGKMCFWEIR-HXUWFJFHSA-N 380.444 2.570 0 40 GFAB COc1ccc(CN(C)CC(=O)NCC(=O)Nc2cccc(C)c2C)cc1F 8308967 DRODMEVJOPXUCY-UHFFFAOYSA-N 387.455 2.638 0 40 GFAB CN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)[C@H]1CCS(=O)(=O)C1 8429825 ZRJMEDYKFMIKNH-NSHDSACASA-N 376.459 2.815 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3N3CCCN23)cc1 19169507 VIWZXRJBDUVHCE-AQNXPRMDSA-N 377.444 2.539 0 40 GFAB CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)nn1 84199761 BFKRYEBVJNUZNR-HIFRSBDPSA-N 393.390 2.745 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)cc(C)c1OCc1cccnc1 95981289 UGPRTABTRRNVCP-GOSISDBHSA-N 394.431 2.874 0 40 GFAB Cc1nc(C(=O)Nc2ccc(-c3nncn3C)cn2)nn1-c1ccc(Cl)cc1 95982322 BZQPCGVDCSPJPJ-UHFFFAOYSA-N 394.826 2.672 0 40 GFAB CC(C)c1nnc2ccc(N3CCC(C(=O)NCc4ccccc4)CC3)nn12 20714439 VOHJHQYTYPQZON-UHFFFAOYSA-N 378.480 2.781 0 40 GFAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 408709215 PXCFIJLCDVRCRD-UHFFFAOYSA-N 379.460 2.922 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1C 408602208 IJFAIMBIQIPSKY-UHFFFAOYSA-N 386.517 2.998 0 40 GFAB Cc1cccnc1Nc1cccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72375836 PKKNJVNZSLFCDT-MRXNPFEDSA-N 398.492 2.788 0 40 GFAB Cc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccccc1C(F)(F)F 39996825 IPWDCDOVFASYBI-UHFFFAOYSA-N 388.349 2.885 0 40 GFAB CC(=O)c1cccc(-n2nnnc2S[C@H]2CCc3ccccc3NC2=O)c1 32071663 LTOGTMIPRXDOFC-KRWDZBQOSA-N 379.445 2.911 0 40 GFAB O=C(Nc1cc(N2CCCCC2)ncn1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 77100888 AEJJYNJCSQKCPB-CQSZACIVSA-N 383.427 2.598 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(-n3cnnn3)cc2)C1 562582119 APGXOUYDCPPNOS-QGZVFWFLSA-N 391.479 2.648 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 238899721 RJJOXUGSWOEJDT-UHFFFAOYSA-N 393.369 2.880 0 40 GFAB COCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br 227153521 FDDJVMCRJNZKRU-UHFFFAOYSA-N 382.258 2.555 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 222663032 YGRHUHIIEPSTAO-OAHLLOKOSA-N 376.478 2.805 0 40 GFAB COC(=O)c1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)cc1 225220813 JXGZNQFULRJZQJ-UHFFFAOYSA-N 385.489 2.693 0 40 GFAB CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 225261167 YVXVBGSNMSLPSW-NVXWUHKLSA-N 394.537 2.857 0 40 GFAB C[S@@](=O)CCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 83990123 ACFXYGRIOXBXJW-PTWHELJCSA-N 396.940 2.608 0 40 GFAB COc1ccccc1NC(=O)NCCn1nc(-c2sc(C)nc2C)ccc1=O 49030830 FPOXTNAZXGSHPH-UHFFFAOYSA-N 399.476 2.814 0 40 GFAB CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NC(C)(C)C)n2)CC1 225894588 JTPIJKMFWRTPLU-UHFFFAOYSA-N 392.573 2.634 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1F 220087901 ACLFSKICFRZHPZ-UHFFFAOYSA-N 376.331 2.648 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2cccc(C)c2)c1 225871484 IPCWYZWBZGVDAZ-UHFFFAOYSA-N 379.503 2.993 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)Cc1ccccc1 226034687 FKMDBUFDKZZYPF-UHFFFAOYSA-N 382.485 2.918 0 40 GFAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1 96115085 MQAVSPHISXZPLD-QGZVFWFLSA-N 394.427 2.583 0 40 GFAB biogenic CC(C)N1CCN(c2ccc3ccc(C(=O)NCC4CCOCC4)cn23)CC1 96156084 LVMQAZCPOPUHKV-UHFFFAOYSA-N 384.524 2.626 0 40 GFAB CC(C)NC(=O)N1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 96260621 NMQPRZYYFXKKGB-UHFFFAOYSA-N 399.539 2.658 0 40 GFAB COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)NCc1nnc(SC)s1 583615060 PDKQIXXMRWYROK-SJKOYZFVSA-N 377.491 2.625 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)c1F 245039129 OGUOPHDZJWRTQU-HNNXBMFYSA-N 395.438 2.872 0 40 GFAB COCCC(=O)NC[C@H]1CC[C@H](c2c(C(N)=O)sc3ncccc32)CC1 257282200 OSVQVSNYCGODEJ-JOCQHMNTSA-N 375.494 2.822 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)c2ccccc12 275340583 RNRGPIQZQSYZPR-AWEZNQCLSA-N 390.461 2.674 0 40 GFAB NC(=O)c1cc2cc(NC(=O)N3C[C@H](c4ccccc4)[C@@](F)(CO)C3)ccc2[nH]1 1679759001 FFKVVJGXHHXESL-IERDGZPVSA-N 396.422 2.599 0 40 GFAB CS(=O)(=O)[C@@H]1CN(Cc2ccc3oc(C(=O)O)cc3c2)C[C@H]1C(F)(F)F 656757751 APGASGMOBKPQHD-BXUZGUMPSA-N 391.367 2.538 0 40 GFAB CC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](F)C2)CCS1 1611791028 TXMUNLOWCAIVPW-GJZGRUSLSA-N 395.548 2.984 0 40 GFAB CC[C@](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)(OC)c1ccccc1 96391774 JJTCNXHMDXNIIO-HXUWFJFHSA-N 390.505 2.619 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NCc2cnccc2C(F)(F)F)CC1=O 621201634 CUBCATLEHQKYMF-GFCCVEGCSA-N 393.365 2.778 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCc4cccnc4)CCO3)C2)cc1 575402967 GDESVYJGNNOYDS-SFHVURJKSA-N 388.489 2.529 0 40 GFAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1nc2ncccn2n1 585112789 ADHWSRZHQKEDHZ-UHFFFAOYSA-N 391.353 2.875 0 40 GFAB CCCN1CCN(C(=O)CNC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585183592 GKHNCHDOFSQMTO-OAQYLSRUSA-N 393.531 2.813 0 40 GFAB Cc1cc(C(=O)N(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)on1 55355992 BKCSTAXIEYOCRJ-UHFFFAOYSA-N 379.416 2.690 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1 5007756 XNNZBYZNTDHSGY-UHFFFAOYSA-N 377.451 2.793 0 40 GFAB COCCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 5015809 ZHPSGVBNZDFLCP-GOEBONIOSA-N 389.521 2.830 0 40 GFAB Cn1c(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)nc2ccccc21 12116302 IHIGDDVOASBADF-UHFFFAOYSA-N 392.459 2.835 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3[C@H](C)CCC[C@H]3C)c(=O)n12 12181891 NDZNHKQERSICRC-HUUCEWRRSA-N 381.480 2.957 0 40 GFAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc4nccnc4c2)CC3)CC1 12183092 LWLQUFNGNSPDTE-UHFFFAOYSA-N 390.491 2.508 0 40 GFAB COc1cc(C(=O)n2ccc(-c3ccc4c(c3)OCO4)n2)cc(OC)c1OC 12951355 WTJFAOUMMCAZMW-UHFFFAOYSA-N 382.372 2.993 0 40 GFAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(F)cc1)S(C)(=O)=O 13715412 OZNMGVFEVJAZCJ-OAHLLOKOSA-N 394.424 2.738 0 40 GFAB Cc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 15386257 NBBKHTNEOKYWOI-UHFFFAOYSA-N 380.897 2.928 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)C1CCCCC1 16046950 JJZSLHOHEQJTQQ-IBGZPJMESA-N 396.491 2.812 0 40 GFAB CC(C)C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)CC1 19085230 ATVDUKGAIHFTHS-UHFFFAOYSA-N 385.512 2.563 0 40 GFAB COCC(=O)N1CCC[C@@H](c2nc(-c3ccccn3)ncc2-c2ccncc2)C1 19592782 GWLVISBNTWKOLE-QGZVFWFLSA-N 389.459 2.953 0 40 GFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CN(Cc3cnn(C)c3)CCO2)n1 19692659 ALTXWDVZKGHRKG-LJQANCHMSA-N 396.470 2.656 0 40 GFAB COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 19712849 QSGJWDCBQDVRGC-UEXGIBASSA-N 397.450 2.896 0 40 GFAB COc1cc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1F 8477866 UOUIIOUJAQZPFO-VMPITWQZSA-N 390.480 2.854 0 40 GFAB CC(=O)N1CCCCCCCN(CC(=O)N2CCOCC2)Cc2ccccc21 643575171 FBXSBWAKRVZFGY-UHFFFAOYSA-N 387.524 2.664 0 40 GFAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)CCc3ccno3)nn2c1O 12161881 JDWVXSHNBJUVQQ-QGZVFWFLSA-N 383.452 2.980 0 40 GFAB Cc1cc(S(=O)(=O)NCc2ccncc2OCCN(C)C)sc1Cl 585083724 BLONAJAAUBXWNY-UHFFFAOYSA-N 389.930 2.524 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)c1ccc(F)cc1F 8067467 ABQBPKVQZRBIHL-UHFFFAOYSA-N 377.343 2.551 0 40 GFAB CC(=O)N1CCc2cc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc21 13260083 XZSQLOYSSNBJIK-IBGZPJMESA-N 391.427 2.503 0 40 GFAB Cc1nc(C)c(-c2ccc(N3CCN(c4ncnc(C)c4C)CC3)nn2)s1 1888891074 RAUSBRFEIKLUTG-UHFFFAOYSA-N 381.509 2.950 0 40 GFAB O=C(c1cnc2ccccc2n1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888924315 DCYOOAWASOCLHD-SPLOXXLWSA-N 393.422 2.880 0 40 GFAB CCCn1nc(C(=O)Nc2ccccc2I)ccc1=O 36821885 DMAIDRMDWIFEDH-UHFFFAOYSA-N 383.189 2.510 0 40 GFAB CC(C)(C)OC(=O)NCCCNC(=O)c1cccnc1O[C@H]1CCSC1 244983803 IRRFTYGGCRCQCK-ZDUSSCGKSA-N 381.498 2.611 0 40 GFAB CN1c2ccccc2N(CCNC(=O)CCc2cccc(Cl)c2)S1(=O)=O 244975112 ICCJWLCFYIYETH-UHFFFAOYSA-N 393.896 2.590 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 4328741 TZWLWTVSASFVPA-UHFFFAOYSA-N 394.478 2.982 0 40 GFAB COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)cc1 6918567 ILFCGVUZXCWBHB-UHFFFAOYSA-N 377.447 2.537 0 40 GFAB COc1ccc(CCNc2nccn(-c3ccccc3OC)c2=O)cc1OC 10273170 QOHOWKFBGZNPMY-UHFFFAOYSA-N 381.432 2.913 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cn(C)nc1OC 12422624 VZEWNTCYRVMYTD-UHFFFAOYSA-N 390.444 2.577 0 40 GFAB O=C(C1CCCCC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746008 ZBDCFVVAQPHZEF-UHFFFAOYSA-N 376.526 2.775 0 40 GFAB O=C(c1ccccc1)[C@@H]([C@@H](c1cccs1)N1CCOCC1)N1CCOCC1 19863965 OYUZHUSQRQRGSA-WOJBJXKFSA-N 386.517 2.705 0 40 GFAB Cc1cccc2s/c(=N/C(=O)CCS(=O)(=O)c3ccc(F)cc3)n(C)c12 101037209 WVJCRNXCFNMPGW-CZIZESTLSA-N 392.477 2.979 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1C 225574968 ZGKXAFUSOBWAFC-KRWDZBQOSA-N 375.538 2.576 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccc(C3CC3)nn2)CC1 575618374 AZTCGAREYTYCFQ-UHFFFAOYSA-N 398.532 2.744 0 40 GFAB Cn1nccc1-c1cncc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 575615479 FEOXJBLHSLSKOW-UHFFFAOYSA-N 382.489 2.839 0 40 GFAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCOc2ccc(F)cc2C1 575616346 NFIUKGBBNCWLDE-UHFFFAOYSA-N 378.425 2.676 0 40 GFAB CSc1nc(N2CCN(c3ccc4nnc(C)n4n3)CC2)cc(C(C)(C)C)n1 2298076106 KTNXGUKEVYPSHI-UHFFFAOYSA-N 398.540 2.569 0 40 GFAB Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ncc4c(n3)CCNC4)C1)CCCC2 19581228 TWJBWIUNSJGYAK-OAHLLOKOSA-N 380.492 2.922 0 40 GFAB COC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 20369149 QYJNOFYIXMXWIS-UHFFFAOYSA-N 392.883 2.604 0 40 GFAB CCc1ccc(N2C(=O)N(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 20581497 AHBXBHKZHVWMMF-RTBURBONSA-N 388.464 2.996 0 40 GFAB COc1cc2c(cc1OC)/C(=C/S(=O)(=O)c1ccc(Cl)nc1)NCC2 101320413 DOJMOUDIBMYSPG-UVTDQMKNSA-N 380.853 2.670 0 40 GFAB C[C@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1 32440553 JQGLRWGDPCIWIT-XYSGSMRZSA-N 385.533 2.787 0 40 GFAB C[S@](=O)Cc1cccc(C(=O)NCCc2cc(F)cc3c2OCOC3)c1 52901020 WGDPLAODHFFWNC-AREMUKBSSA-N 377.437 2.543 0 40 GFAB CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 103476356 JQPRIGWPHWWGFX-QGZVFWFLSA-N 397.527 2.501 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)nc1 37466009 FAGVTGIVLKHHOX-UHFFFAOYSA-N 377.241 2.713 0 40 GFAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC(=O)NC1CC1 8937297 DRIUBMWXVPMKFT-NSHDSACASA-N 398.488 2.596 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 800417 GWDWQVGXNDJILJ-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 802433 JEZGLBDCCWEZLD-INIZCTEOSA-N 396.443 2.792 0 40 GFAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc1N 917464 QKOFPROIHVCEOQ-NSHDSACASA-N 388.449 2.557 0 40 GFAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@]4(C)CCCO4)CC3)n2)cc1 79069360 NGVUQOOYEXFFPL-IERDGZPVSA-N 384.480 2.819 0 40 GFAB O=c1[nH][nH]c(=O)c2c1nc(SCCc1ccccc1)n2Cc1ccccc1 1621691 YFEWOKQYSJJDDI-UHFFFAOYSA-N 378.457 2.796 0 40 GFAB O=C(N[C@H](Cc1ccc(N(CCF)CCF)cc1)C(=O)O)c1ccccc1 2038105 FFOGPIIAKXVFCM-GOSISDBHSA-N 376.403 2.858 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1 3550165 FSGQPLYXWGFRBH-UHFFFAOYSA-N 386.326 2.706 0 40 GFAB COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CCN(C)C2 4223499 VFONCEFEOHRTRK-UHFFFAOYSA-N 390.461 2.792 0 40 GFAB CCc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 4285585 HTICPUROHNVQRN-UHFFFAOYSA-N 389.473 2.903 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2ccc(Cl)s2)CC1 23731916 IJSODDVVEUAPKY-INIZCTEOSA-N 378.881 2.886 0 40 GFAB O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)NCc1ccco1 7939729 YUIRDEHRFCTZDA-UHFFFAOYSA-N 398.337 2.877 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3cccnc3N3CCCC3)CC2)c(F)c1 12557756 ZXDDSTUTVCRXBD-UHFFFAOYSA-N 396.466 2.986 0 40 GFAB COc1ccc([C@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297623 DDGOVFYOCFWWNZ-HNNXBMFYSA-N 379.405 2.601 0 40 GFAB COc1ccc2nc(NC(=O)c3cccc(NS(C)(=O)=O)c3)sc2c1 24987182 RCQONTXIDAIUES-UHFFFAOYSA-N 377.447 2.929 0 40 GFAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1Cl 48091083 BIOJNZPJKIJCLO-QGZVFWFLSA-N 386.945 2.806 0 40 GFAB Cc1ccc(-n2cc(-c3nn(-c4cc(C)cc(C)c4)c(=O)n(C)c3=O)cn2)cc1 1387714 XALUMWOSXDIFNY-UHFFFAOYSA-N 387.443 2.709 0 40 GFAB O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCc2sccc2C1 25325298 ULEMLDXJYVGFAT-UHFFFAOYSA-N 382.532 2.793 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)c1 57351160 QSLREWFMFKQJKV-KRWDZBQOSA-N 379.460 2.823 0 40 GFAB COc1ccc(CCNC(=O)c2cn(-c3ccccc3Cl)nn2)cc1OC 57511518 SMWOXDJAHVPRKZ-UHFFFAOYSA-N 386.839 2.910 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1 57750236 IGEUCBMCQDSTAU-HNNXBMFYSA-N 382.869 2.650 0 40 GFAB COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccc4c(c1)OCO4)N(C)CC3)OCO2 12660182 SGLZUWYAYMZTKG-LSDHHAIUSA-N 385.416 2.805 0 40 GFAB biogenic COc1ccc(COC[C@H](O)Cn2c([C@@H](C)O)nc3ccccc32)cc1OC 12648038 YOEJNICPXZCEMD-GDBMZVCRSA-N 386.448 2.685 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)o3)C2=O)c(Cl)c1 58179941 CQCHGIRSLWHQDD-GOSISDBHSA-N 375.812 2.956 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 58173760 DSDSXJLZGBPVRK-ZDUSSCGKSA-N 394.522 2.603 0 40 GFAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-n2cnnn2)c1 12775578 FUUODFFLZVGUAR-UHFFFAOYSA-N 385.811 2.658 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)NCCCN3CCCC3=O)o2)cc1C 9050318 IKYWSJCYBDQWNP-UHFFFAOYSA-N 388.493 2.574 0 40 GFAB Cn1nnnc1SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 3344278 XASGOOJBGRUAMM-UHFFFAOYSA-N 391.460 2.794 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(Cl)c2c(c1)OCO2 28334858 OUYRTMHLWCFWSO-JTQLQIEISA-N 396.852 2.549 0 40 GFAB CCn1c(CNC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 52842068 HIYTVJYIPXABKB-HNNXBMFYSA-N 392.459 2.734 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H]1COc2ccccc2O1 48353731 YXEUQOIHPVQPEB-MJGOQNOKSA-N 378.428 2.907 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)NCc3cn4ccccc4n3)cc2)C[C@@H](C)O1 28875408 QAHOKDIDAUHBSY-CALCHBBNSA-N 378.476 2.874 0 40 GFAB NC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 12893964 GHBBQAWWGDXIPL-UHFFFAOYSA-N 390.443 2.864 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)C[C@H](NC(N)=O)c2ccccc2)c1 11940371 BMBXHAIGTBKDDM-QAPCUYQASA-N 383.448 2.973 0 40 GFAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(Cl)cc2)n1 11914294 RLDVKRBCZHJOAV-UHFFFAOYSA-N 390.646 2.548 0 40 GFAB COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 12984825 LXADLHYXLIPSNU-UHFFFAOYSA-N 392.452 2.547 0 40 GFAB Cc1cc(C)n(-c2ccc3nnc(CCC(=O)N(C)Cc4ccccc4)n3n2)n1 71279738 WRQGZIWXVNNZIN-UHFFFAOYSA-N 389.463 2.518 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(C)cc2)N1 9192452 VPRRTLAEQZVXGU-OAHLLOKOSA-N 386.839 2.952 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1Cl 71328899 LHIOOFFDTMSLMG-CQSZACIVSA-N 387.871 2.594 0 40 GFAB CN(C)c1oc(-c2ccco2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13690443 USMVWSMMOJZBPY-UHFFFAOYSA-N 376.390 2.605 0 40 GFAB O=C(N[C@H](C(=O)NCCc1nc2ccccc2[nH]1)c1ccccc1)c1cccnc1 96117478 GIWNPVFIHCPNJO-NRFANRHFSA-N 399.454 2.788 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 9339137 JTSVASPJZAPAQS-UHFFFAOYSA-N 391.475 2.885 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1 9341440 LVUNPCAJUPLKGA-UHFFFAOYSA-N 390.646 2.548 0 40 GFAB C[C@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCO2 6848942 DRDVUTIRWVXHKF-LBPRGKRZSA-N 398.444 2.872 0 40 GFAB O=C(O)CSc1nc(=O)c2cc(Br)cc(Br)c2[nH]1 5818831 CBILCVADVNQLRJ-UHFFFAOYSA-N 394.044 2.625 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3F)CC2=O)cc1 7016428 AFMRTYOYYRUQPC-ZDUSSCGKSA-N 388.370 2.808 0 40 GFAB O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2cccc(F)c2)C1 306124291 BMCOEOCWSLOGLT-QFIPXVFZSA-N 376.435 2.992 0 40 GFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 68632062 ZQJLOSVKBFKLQZ-CABCVRRESA-N 394.947 2.907 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C1CC1)c1ccccc1Br 8232571 PNLXWAAQVOYDJM-VIFPVBQESA-N 382.287 2.740 0 40 GFAB CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC2(C)Cc3ccccc3C2)cc1 92194445 IGMMIVXPMNVPRU-CQSZACIVSA-N 387.505 2.512 0 40 GFAB O=C(NCCCN1CCOCC1)c1cccc(-n2nccc2-c2ccccc2)c1 69923693 FXNSAWCNOGHFGV-UHFFFAOYSA-N 390.487 2.991 0 40 GFAB Cc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CC2)cc1C(N)=O 84177521 ZBBWODGOURKLNT-UHFFFAOYSA-N 376.503 2.697 0 40 GFAB O=C(CCCn1nnc2ccccc2c1=O)Nc1nc(-c2cccnc2)cs1 72402047 LENWCWZLWSXSAS-UHFFFAOYSA-N 392.444 2.729 0 40 GFAB CC(C)n1cc2c(n1)C1(CCN(C(=O)N(C)C)CC1)CN(C(=O)c1ccco1)C2 306135720 OYUJAUNBLNPASY-UHFFFAOYSA-N 399.495 2.728 0 40 GFAB C[C@H]1C[C@@H](CCNC(=O)NCc2ccccc2S(N)(=O)=O)CC(C)(C)C1 502918390 LPMVGVOALTVNLS-LSDHHAIUSA-N 381.542 2.986 0 40 GFAB COc1ccccc1N1C(SCc2ccccc2)=N[C@H]2CS(=O)(=O)C[C@H]21 32640561 ZPHOHYGYLFXGEI-DOTOQJQBSA-N 388.514 2.970 0 40 GFAB CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 520505889 CZNNAMHUYPNFEC-UHFFFAOYSA-N 389.477 2.792 0 40 GFAB CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)[C@H]1Oc1ccccc1 1556309100 LFIAGDCCMHQBMQ-CTAFRAEOSA-N 380.444 2.602 0 40 GFAB COC(=O)c1sccc1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 21448278 IYRBHYBABORMOR-HNNXBMFYSA-N 376.434 2.749 0 40 GFAB O=C(c1cc(Sc2ncccn2)ccn1)N1CCN(c2ccccc2)CC1 72243494 WWBYVPPHXRHSQO-UHFFFAOYSA-N 377.473 2.985 0 40 GFAB CN1CCOc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2C1=O 38677942 DEVLOVUJMIWJKE-UHFFFAOYSA-N 380.444 2.838 0 40 GFAB Nn1c(SCC(=O)Nc2cc(F)ccc2Cl)nc2ccccc2c1=O 71327512 JAISIKVSEXHBQR-UHFFFAOYSA-N 378.816 2.634 0 40 GFAB CCCC[C@H](CC)CNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223886179 MDRLJNRJSDMJHK-AWEZNQCLSA-N 384.498 2.514 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 223005440 ORCOQVZAGUCSLA-MOPGFXCFSA-N 388.537 2.765 0 40 GFAB Cc1nc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)cs1 223416364 NGBLAZCOZCULFK-OAHLLOKOSA-N 395.431 2.860 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222633278 ACXBEEBFLBDSLI-UHFFFAOYSA-N 380.441 2.554 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222463623 MSQKTWFAICXUJT-MRXNPFEDSA-N 390.505 2.897 0 40 GFAB O=C(NCc1ccccn1)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 199408016 GCANRJXTLHECPO-SFHVURJKSA-N 399.809 2.776 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)s1 584046812 KRUANIRTGPTZAD-ZDUSSCGKSA-N 393.534 2.704 0 40 GFAB CCc1ccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4F)CC3)n2)cc1 256048915 XARUPWFZVMDUMH-UHFFFAOYSA-N 395.438 2.994 0 40 GFAB O=C(c1cccc(OCc2ccccc2)c1)N1CCC(N2C(=O)COC2=O)CC1 253408358 XNRDFFWSGOYDNM-UHFFFAOYSA-N 394.427 2.849 0 40 GFAB COc1nccc2c(NC(=O)Nc3ccn(C4CCN(C)CC4)n3)cccc12 640259942 YIAAHFYUAIXBQI-UHFFFAOYSA-N 380.452 3.351 0 40 GFAB C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H]2CCOC2)CCO1 670329932 GPVHZWKIOVLVBI-CVEARBPZSA-N 381.480 2.698 0 40 GFAB Cc1csc(N2CCN(C(=O)c3ccc(C(=O)NC4CC4)cc3)C[C@H]2C)n1 677428525 QAEWKPIXMANPOD-CQSZACIVSA-N 384.505 2.695 0 40 GFAB Cc1ccncc1[C@@H]1CCN(S(=O)(=O)c2ncccc2Br)C1 606445719 KFMUQBPABUMBII-GFCCVEGCSA-N 382.283 2.726 0 40 GFAB O=C1Cc2c(C(=O)N3CCC[C@H](c4nc5ccc(F)cc5o4)C3)ccnc2N1 606444485 VPCPNXXSYOXRFD-NSHDSACASA-N 380.379 2.876 0 40 GFAB COc1ccc2c(CC(=O)N3CC[C@H](N4CCN(C(C)C)CC4)C3)coc2c1C 601312386 HGLNXWKOXQWBJC-IBGZPJMESA-N 399.535 2.919 0 40 GFAB COc1c(C)cc(S(=O)(=O)NC[C@@H](OCCO)c2ccc(C)cc2)cc1C 96338072 INYBQHYNYVTIDH-LJQANCHMSA-N 393.505 2.649 0 40 GFAB COc1cc(CCC(=O)N2CCC(c3nc(C)c(C(C)=O)s3)CC2)on1 12750541 IJDYTILWRYDCRF-UHFFFAOYSA-N 377.466 2.990 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cc(F)cc(F)c1 12795909 VTXRTVBUXJIAIU-FQEVSTJZSA-N 385.370 2.902 0 40 GFAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 13711104 XZPHHQWURDTBPV-MRXNPFEDSA-N 392.477 2.887 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3OC)cc2C1=O 15966789 JKEODADLTVSMIO-CQSZACIVSA-N 396.443 2.819 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1F 19590681 CCHJDEXCLOKFQL-UHFFFAOYSA-N 398.482 2.561 0 40 GFAB Cc1nn2c([C@H]3CCN(C(=O)C4CCCCC4)C3)ccnc2c1Cn1cncn1 19707967 OKOWNTSLFUHKNC-KRWDZBQOSA-N 393.495 2.574 0 40 GFAB COc1cc(CC[C@@H](O)CC(=O)CC[C@H]2CC[C@@H](O)[C@@H](OC)C2)ccc1O 169748438 XMNDMZNXKHJPKM-HXQKEGBBSA-N 380.481 2.610 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1O 6308117 ZSBPSZAOXLSPKC-MHWRWJLKSA-N 390.461 2.696 0 40 GFAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 6326891 LBUYEINKMDVQOO-OVCLIPMQSA-N 377.418 2.847 0 40 GFAB COc1ncc(-c2nc(N3CCOCC3)ncc2-c2ccsc2)c(OC)n1 12252636 SRGKKUQGLYRXLQ-UHFFFAOYSA-N 385.449 2.516 0 40 GFAB O=C1CCC[C@]2(CN(Cc3ccc(OCCO)cc3)C[C@H]2c2ccccc2)N1 19373753 LMVDNOWMUZKDAD-JTHBVZDNSA-N 380.488 2.696 0 40 GFAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CCN(C[C@@H]2CCCO2)CC1 19347148 VNZIJFPSGCLLIJ-INIZCTEOSA-N 392.450 2.687 0 40 GFAB CCCCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1ncn2Cc1ccco1 20988532 DHAVGFCEQJUKBQ-UHFFFAOYSA-N 396.422 2.989 0 40 GFAB Cc1ncc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)cn1 2037844295 SDBVJMMRRLWDRT-LEWJYISDSA-N 394.519 2.897 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)c1 10272848 WVTIIMMDYORDSX-UHFFFAOYSA-N 377.444 2.872 0 40 GFAB O=C(CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cccs1 36708293 FEVQAYAOPVWWNC-UHFFFAOYSA-N 398.463 2.918 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)cc1OC 575613560 RWDBENDYVZMFCY-IQIBNGDESA-N 387.411 2.716 0 40 GFAB O=C(NCCCc1ccccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783416 GGPFSQONHMNBTN-UHFFFAOYSA-N 380.423 2.534 0 40 GFAB Cc1nc(N2CCN(c3cccc(-n4cccn4)n3)CC2)cc(C(F)(F)F)n1 2298060315 HKISCIOEFZZECN-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB CC(=O)c1c(C)nn(C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c1C 8714540 UESWVFMMNOGHLN-OAHLLOKOSA-N 396.443 2.738 0 40 GFAB Cn1cc(-c2nc(C(=O)N3CCCN(Cc4cccs4)CC3)cs2)cn1 40145132 BWNQAQALRLKUDF-UHFFFAOYSA-N 387.534 2.953 0 40 GFAB Cc1sc2c(c1C)CN(CCN1CCOCC1)CN2C(=O)c1ccco1 20192552 ZEADUOJYVARCEJ-UHFFFAOYSA-N 375.494 2.710 0 40 GFAB COc1cc(OC)c(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1Cl 31482465 RXCIVUSTGGRQQW-UHFFFAOYSA-N 375.816 2.593 0 40 GFAB O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc2c(c1)OCO2 100791530 POHPWGONSWJLCW-SFHVURJKSA-N 389.411 2.587 0 40 GFAB biogenic Cc1nn2c(=O)c3c(cc(C)n3CC(=O)Nc3cc(F)cc(F)c3)nc2s1 51357392 MSAMBJBEBLAWDX-UHFFFAOYSA-N 389.387 2.639 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ncn3n2)cc1 21024988 HNLNAGVFUVKGOG-UHFFFAOYSA-N 395.369 2.783 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1 32591668 QYZKXTFRBPFDMY-UHFFFAOYSA-N 383.372 2.570 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c(Cl)n2C)c1 32650766 GWSVZWMMVJKPKL-UHFFFAOYSA-N 376.265 2.835 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(-n2cnc3ccccc32)nc1 32796666 LIEPURIBBARJFQ-UHFFFAOYSA-N 396.410 2.769 0 40 GFAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(Cl)nc(NCc3ccco3)n2)C1 782923 HHWFEUZQCJPBKX-OLZOCXBDSA-N 398.854 2.516 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 1084516 YUQHTZYHWXWUHC-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1 1381555 SIMJWFPFUNBLBK-UHFFFAOYSA-N 392.506 2.904 0 40 GFAB Cc1c(OCC(=O)N2CCC(C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCCC3 2117900 CGDBPWAXLQGOPH-UHFFFAOYSA-N 399.443 2.682 0 40 GFAB biogenic COc1ccc(OC)c(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1 3322973 OQGLSUZCVQAMGO-UHFFFAOYSA-N 383.356 2.606 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)/C=C/c2cc(OC)ccc2OC)c1 3395598 KDCRQJAKRMOQBO-DHZHZOJOSA-N 384.432 2.823 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C[C@H](C)O1 3490918 WRQPQMROKKRBMT-STQMWFEESA-N 378.523 2.878 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCc1ccc(Cl)cc1 3600611 TWRUTWKBLGHXPY-OAQYLSRUSA-N 397.862 2.740 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 4249174 XGEKRFYXQTVLKC-HNNXBMFYSA-N 381.480 2.731 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1C 4778357 RXNAGCMPLYYDQN-NSHDSACASA-N 384.404 2.587 0 40 GFAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1 5549381 WWTDTSSBERBOIU-HNNXBMFYSA-N 386.835 2.870 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1 6405845 BNBNWAULASEPQN-CQSZACIVSA-N 392.452 2.874 0 40 GFAB COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)nn1 6441762 POLFTXYTKYPHLD-JSRAGOMMSA-N 383.407 2.882 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)cc2C)c2ccccc2O1 6810861 HNMWIUXWGWPERO-KRWDZBQOSA-N 375.808 2.994 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@@H](C)C2)ccc1C 6882070 MSHKXQXQOHUEIY-OAHLLOKOSA-N 381.542 2.696 0 40 GFAB CCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 6962880 QRBPAIANEAPYOD-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 7015641 MRFQTVQBUGIYGX-UHFFFAOYSA-N 393.321 2.599 0 40 GFAB COc1ccccc1-c1noc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 7735279 YIIUCDPZCHMJDH-NRFANRHFSA-N 390.399 2.639 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 8203608 DASKMQCZXIRMDY-UHFFFAOYSA-N 383.448 2.850 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)c1 8267377 ZOUBFZUXCKIXKF-HNNXBMFYSA-N 382.416 2.898 0 40 GFAB c1cncc(-c2nc(N3CCN(C[C@H]4CCCO4)CC3)c3ccccc3n2)c1 8938724 XOZBNYQQUYOSEO-GOSISDBHSA-N 375.476 2.993 0 40 GFAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccccc1N1CCCC1 9339356 SEKFAMRZGIOOKT-UHFFFAOYSA-N 396.476 2.699 0 40 GFAB C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(-n2ccnc2)cc1 9378102 IQEOCWWHJAFEKE-QGZVFWFLSA-N 399.454 2.968 0 40 GFAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)COc2ccc(C)cc2)c1C 9569745 XDVRWWFNJQBMAR-UHFFFAOYSA-N 379.482 2.558 0 40 GFAB COCCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9668386 IWSMTQWWTFTWQW-XOBRGWDASA-N 377.444 2.864 0 40 GFAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)nnn1-c1ccc(F)cc1 9970590 IPNCYTIKCIAJRN-UHFFFAOYSA-N 381.411 2.804 0 40 GFAB COc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1OC 11853350 RGEBXPXFWPTQCJ-UHFFFAOYSA-N 383.492 2.646 0 40 GFAB Cc1nc2ccc(NC(=O)CSc3nc4ccccc4c(=O)n3C)cc2[nH]1 12323959 RATUXNYRZIXLHT-UHFFFAOYSA-N 379.445 2.849 0 40 GFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nc3ccccc3[nH]1)C2=O 12519885 ABCIUKXUTFCGPL-ODXCJYRJSA-N 383.452 2.638 0 40 GFAB CCCN(Cn1nc(-c2ccc(C)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12924417 DURGUJDZSFMGQZ-MRXNPFEDSA-N 394.566 2.783 0 40 GFAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 14167785 ZRLPILGALOPYPL-ZDUSSCGKSA-N 379.416 2.770 0 40 GFAB Cc1ccc(CSCCNC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1 14202364 GAOXVKBKDYPDQR-UHFFFAOYSA-N 378.519 2.614 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H](C)NC(=O)c2ccccc2)c(C)c1 14242012 CYGJQISXLRODJS-KRWDZBQOSA-N 381.476 2.827 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(C(=O)O)cc1)c1ccc(F)cc1 14401018 FCIZDWHFGDWACY-UHFFFAOYSA-N 394.424 2.709 0 40 GFAB Cc1cc2nc(C[C@H](NC(=O)c3ccncc3)c3ccc(F)cc3)cc(O)n2n1 19129891 SPQYSTGERXXISQ-SFHVURJKSA-N 391.406 2.991 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1ncc3c(n1)CCNC3)n2C 19221211 DCQDDINRGKPDJD-LJQANCHMSA-N 375.476 2.900 0 40 GFAB Cc1nc(NC2=NCN(Cc3ccc4c(c3)OCO4)CN2)nc2c(C)cccc12 19330721 CWENFEAUWZIHPN-UHFFFAOYSA-N 390.447 2.764 0 40 GFAB COc1cc(CN2CCC3(CC2)CNC(=O)c2ccccc2O3)cc(OC)c1 19595094 PGUSGZHRJITRAE-UHFFFAOYSA-N 382.460 2.861 0 40 GFAB O=C(NCC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21)C1CCCC1 19746242 IYAXRNKYRRHZNK-KRWDZBQOSA-N 383.496 2.509 0 40 GFAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1cccc(Cl)c1 22767263 LRXRFAMIUWRSCB-INIZCTEOSA-N 386.926 2.753 0 40 GFAB CCOC(=O)[C@H]1CCCN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 23382143 VLXNQRRYLBOYAU-FQWCMUAHSA-N 393.528 2.746 0 40 GFAB Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)nn(C)c2n1 25432650 HDPXZGMZIPADCF-UHFFFAOYSA-N 377.492 2.980 0 40 GFAB Cc1ccc2nc(COC(=O)c3ccccc3OC[C@@H]3CCCO3)cc(=O)n2c1 26236165 FKAJUZUEBJTVPU-KRWDZBQOSA-N 394.427 2.918 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 26679950 YYLXCHYNXVDFLH-OAHLLOKOSA-N 389.473 2.807 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc3[nH]nnc3c2)N2CCCCC2)cc1 27667943 CPTDDUAGBLDPAO-HXUWFJFHSA-N 379.464 2.924 0 40 GFAB O=C(CCn1cc(Br)cn1)N1CCN(c2ccccc2F)CC1 27968833 ZIVCFQZCNCEOHO-UHFFFAOYSA-N 381.249 2.524 0 40 GFAB Cc1nn(Cn2ccc(C(=O)NCc3ccccc3)n2)c(C)c1Br 28237830 GDTSKSYNFLRVBB-UHFFFAOYSA-N 388.269 2.895 0 40 GFAB CN1CCN(c2ccc(NC(=O)/C=C/c3cnn(-c4ccccc4)n3)cc2)CC1 31701508 HZHKXQFIEAJUDX-FMIVXFBMSA-N 388.475 2.671 0 40 GFAB Cc1nc(CN2CCN(CC(=O)Nc3ccccc3OC(F)F)CC2)cs1 32889907 YRYQHLDBHXOPSP-UHFFFAOYSA-N 396.463 2.809 0 40 GFAB Cc1ccc(OCC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 33135417 AFGXIXDLQYYHKO-JOCHJYFZSA-N 381.520 2.869 0 40 GFAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(C)nc4ncnn34)c2C)cc1 36619219 OFLJWGLTUUPTHX-UHFFFAOYSA-N 375.436 2.855 0 40 GFAB CCn1cc([C@@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)c(C)n1 36621272 CSDFQPAJZKHUGI-AWEZNQCLSA-N 397.460 2.705 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)Oc2ccc(Cl)cc21 38755140 FDBXKZFLEXJVFA-OAHLLOKOSA-N 384.816 2.645 0 40 GFAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccnc1)NC1CCCCC1 38878841 JTKBXSIHTZUQDE-UHFFFAOYSA-N 391.468 2.865 0 40 GFAB CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)[C@@H](O)c1ccccc1 40120867 PASMLQNVVWHOBQ-RXVVDRJESA-N 397.523 2.715 0 40 GFAB Cc1nn2c(nnc3c(=O)n(NC(=O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40396044 MRMPNMZJIUZQBD-UHFFFAOYSA-N 396.838 2.794 0 40 GFAB CCCSc1ncc(Cl)c(C(=O)N[C@H](CCSC)C(=O)OC)n1 41156655 TVOBWUWCBINLLG-SNVBAGLBSA-N 377.919 2.657 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380013 QAPHTBYRBCWCPC-LBPRGKRZSA-N 399.432 2.645 0 40 GFAB O=C(c1ccccc1F)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382457 MZIINBINWINXHN-SJORKVTESA-N 396.418 2.643 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 43830234 WUDPVASKDLEOLO-INIZCTEOSA-N 384.404 2.532 0 40 GFAB COC(=O)c1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1 44226398 OYUSMQBQEOPFSR-UHFFFAOYSA-N 383.444 2.960 0 40 GFAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 48272722 QTPJJIPJADBCEA-UHFFFAOYSA-N 375.444 2.934 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)cc2)C1 48311272 YOKOGEWFEQKVJU-TWFHAPMSSA-N 385.552 2.943 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)c1 51356546 FHSHLERGEZVEHZ-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB CCCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 55835377 JWTFSIKIULLUAQ-INIZCTEOSA-N 395.459 2.827 0 40 GFAB COC(=O)COc1ccc(NC(=O)c2cncc(Br)c2)c(C)c1 55906908 VUXTWRAAVWIMOC-UHFFFAOYSA-N 379.210 2.957 0 40 GFAB O=C(NC1CCN(C(=O)NC[C@H]2COc3ccccc3C2)CC1)c1ccsc1 56575386 CZOMHPMQZDVEGB-HNNXBMFYSA-N 399.516 2.903 0 40 GFAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C(C)C)[C@@H]3CO)cc2)cc1 72321166 SPVPYHMVSAJHLB-TZIWHRDSSA-N 398.459 2.617 0 40 GFAB biogenic,in-vitro CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(CCc1ccccc1)CC2 72372180 OSTANGKXYVTFIZ-IBGZPJMESA-N 393.535 2.845 0 40 GFAB COCCNc1c(-c2cc3c(cc2Br)OCO3)nc2cnccn12 72389399 UEBYDJQFCSBZMO-UHFFFAOYSA-N 391.225 2.946 0 40 GFAB Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)N4CCCCCC4)n3n2)n1 72403088 VZOUOMWEFXLOOA-UHFFFAOYSA-N 381.484 2.652 0 40 GFAB CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N=c2[nH]cc[nH]2)CC1 80337148 LUKWKLIBIQYAAJ-ACBHZAAOSA-N 382.508 2.960 0 40 GFAB O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 84525626 RJNFUZSLUQMAFM-RBUKOAKNSA-N 378.428 2.539 0 40 GFAB CCOc1ccc2nc(NC(=O)COc3ccc(-n4cccn4)nn3)sc2c1 90607729 HJZJMGWXHHVJRJ-UHFFFAOYSA-N 396.432 2.688 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(-c2ccncc2)n1 90610182 SCFIIGRWRWVBDC-UHFFFAOYSA-N 390.443 2.579 0 40 GFAB O=C(NC[C@H](Cc1ccccc1F)C(=O)O)c1ccc(Cn2cccn2)cc1 95425383 XXCGFLGFBLMMOT-SFHVURJKSA-N 381.407 2.744 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](O)c2ccco2)c(Cl)c1 95462043 YKJRZNPSVYBDDK-GXFFZTMASA-N 387.841 2.510 0 40 GFAB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)N[C@@H]1CCN(c2ccccc2)C1=O 95465610 OUGGYMUBQWIXFM-VQIMIIECSA-N 392.377 2.748 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1F 95470725 RLUPPENWWSXNHH-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 95976285 RPVSHQQJJCGEAL-HNAYVOBHSA-N 394.475 2.761 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc(C)n(C)n1 95998495 DHQCXGOHJBMSEE-HXUWFJFHSA-N 393.491 2.804 0 40 GFAB O=C(c1ccsc1)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 96038301 MLPVJALPNSNISF-UHFFFAOYSA-N 397.504 2.647 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2noc(-c3ccc4c(c3)OCO4)n2)cc1OC 96125479 NLPSBLWWQMLMPQ-NSHDSACASA-N 397.387 2.974 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 96241000 KPHNNYVJBABWOL-GOSISDBHSA-N 383.423 2.728 0 40 GFAB CCNC(=O)COc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OC 97987597 YQAYUAHFZUSYJG-GZTJUZNOSA-N 394.427 2.863 0 40 GFAB O=C(CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1 100433824 ZBEBKRXCLBJXTN-QZTJIDSGSA-N 382.464 2.713 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100563693 HSVKCNAZNOMLDI-DOTOQJQBSA-N 397.818 2.637 0 40 GFAB COCCN1C[C@H](c2cc(O)n3nc(-c4cccc(Cl)c4)cc3n2)CC1=O 100775474 GLXSKXFUFJNJNZ-CYBMUJFWSA-N 386.839 2.718 0 40 GFAB COc1cc(CN(C)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1OC(F)F 103281576 TZDAMZVYKRTHEV-OKILXGFUSA-N 380.391 2.637 0 40 GFAB Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 106765849 FTDZLVOYMNHRFI-UHFFFAOYSA-N 396.944 2.505 0 40 GFAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1cccc(C(F)(F)F)c1 206722130 BQCNJKZFDXJYNU-UHFFFAOYSA-N 381.358 2.654 0 40 GFAB COc1cccc(OC)c1CNC(=O)c1cnc2sc3c(n2c1=O)CCCC3 223039841 BPHVAGYBFDELHV-UHFFFAOYSA-N 399.472 2.582 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 223413996 HZUWWFFGAZSDKA-FQEVSTJZSA-N 384.476 2.936 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 223586511 HHMIGTUPBBTSJH-MOPGFXCFSA-N 382.464 2.976 0 40 GFAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1c(F)cccc1F 225583744 UUWIBENIYJKCPF-UHFFFAOYSA-N 392.431 2.683 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@](O)(c1ccco1)c1cccs1 225589563 XKQOKHOOOQFZBU-KRWDZBQOSA-N 397.449 2.703 0 40 GFAB CCc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1 225955440 GGTYWMBGZQDJQF-SFHVURJKSA-N 376.478 2.877 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@@](O)(c1ccsc1)c1ccco1 240122526 WBPRBMXYXWVPAT-QGZVFWFLSA-N 399.440 2.975 0 40 GFAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCCCc1ccc(F)cc1 252509378 YMMPIJIFIYQXJA-UHFFFAOYSA-N 386.402 2.884 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)ncn1 257254808 KETMOUAULVONPK-HNNXBMFYSA-N 380.452 2.577 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](COc3ccccn3)CCN2C)C1 306137445 QWIIYFXLRIQFFP-QGZVFWFLSA-N 398.507 2.946 0 40 GFAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390831307 RDWXLCLOEZVEKH-UHFFFAOYSA-N 376.438 2.860 0 40 GFAB CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@@H]1c1cnn(C)c1 500728361 ZNQWYYMCGPCKCT-RXVVDRJESA-N 398.482 2.752 0 40 GFAB Cc1noc([C@H](NS(=O)(=O)c2c(C)cccc2Cl)C2CCOCC2)n1 583613521 MTUHAZJNMORKIR-CQSZACIVSA-N 385.873 2.786 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCCC2)C3)c1 585105334 UGUGBGORSYBAPM-FQEVSTJZSA-N 388.508 2.811 0 40 GFAB C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCCC3)CC2)n1CC1CC1 612809829 ULZPCPAQUOSHMJ-OAHLLOKOSA-N 395.573 2.849 0 40 GFAB CC(C)N1C(=O)N[C@@H]2CN(C(=O)Nc3cnn([C@@H](C)c4ccccc4)c3)CC[C@@H]21 646444900 UZCZIQDVISTHRD-IPELMVKDSA-N 396.495 2.901 0 40 GFAB CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)C[C@H]1CCCCC1(F)F 660150567 JRZXQVIPLDNJAQ-CVEARBPZSA-N 394.528 2.717 0 40 GFAB O=C(c1nccs1)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615156215 BMUUKUGTAMHNJO-DLBZAZTESA-N 390.505 2.503 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)nn2C)cc1C 1775966482 GUTMLXWYQXSDEN-UHFFFAOYSA-N 386.477 2.668 0 40 GFAB O=c1cc(N2CC[C@H](Oc3ccncc3Br)C2)nc2ccccn12 1776009242 WOCULQULJCMBCV-LBPRGKRZSA-N 387.237 2.510 0 40 GFAB O=C([C@H]1CCCN(c2ncc(Br)cc2F)C1)N1CCSCC1 1888856613 JZWGDMMPINVXJL-NSHDSACASA-N 388.306 2.775 0 40 GFAB Cc1csc2c(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)ncnc12 2298233204 VTNOPGWBSCVEOT-UHFFFAOYSA-N 392.492 2.517 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC(C3CC3)C3CC3)CC2)c1 47078028 YOPWIDOXULTRHC-UHFFFAOYSA-N 386.492 2.861 0 40 GFAB COc1ccc(-c2cc(-c3nn4c(-c5cnccn5)nnc4s3)no2)cc1 12389066 WRTSKYBASWXNGV-UHFFFAOYSA-N 377.389 2.973 0 40 GFAB COc1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)cc1Br 22883062 QGYJECSHQKOFFL-UHFFFAOYSA-N 379.210 2.574 0 40 GFAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 79049634 ZEBUMEBPGKBSLE-LESHARBVSA-N 385.913 2.850 0 40 GFAB Cc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c(C)c1 4744620 IDBUACAGYSULOL-JFBPSJKJSA-N 377.437 2.638 0 40 GFAB CSc1nc(N2CCCC2)c2cc(C(=O)NC[C@H]3CCCO3)sc2n1 7604247 HSMBKJZKNGDDBJ-LLVKDONJSA-N 378.523 2.922 0 40 GFAB C[C@H](C(=O)NCCSC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 7872048 SWRFKZYJSKTZNZ-GFCCVEGCSA-N 376.519 2.628 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)nc1C 24842095 VQHIOZAQCMSILH-GFCCVEGCSA-N 391.449 2.712 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 12547819 MQOXANRLSZRCQY-UHFFFAOYSA-N 386.415 2.793 0 40 GFAB Cc1cn2c(CC(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)csc2n1 25050599 JQGWWUXQSDXHQQ-UHFFFAOYSA-N 392.506 2.572 0 40 GFAB CN(CCOc1cccc(Cl)c1)c1cc(N2CCC[C@H](CO)C2)ncn1 107095305 ANKRQNUAGCKUIC-HNNXBMFYSA-N 376.888 2.854 0 40 GFAB CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc2c(c1)OCCO2 55963715 YGDLIHZARMPYQH-DOTOQJQBSA-N 384.432 2.667 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 26310118 ACNJLAFTLRYHJV-CQSZACIVSA-N 393.509 2.949 0 40 GFAB O=C(c1cncn1-c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9378090 XSPNFQMWHGCYEL-UHFFFAOYSA-N 387.443 2.993 0 40 GFAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)cc1Cl 57521354 QDNKCJICAKAWRJ-UHFFFAOYSA-N 392.868 2.963 0 40 GFAB Cc1ccc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1C 12792916 IPURCLZJQWBBGH-GOSISDBHSA-N 389.521 2.749 0 40 GFAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 58368600 PUDQZZORWQBKPY-UHFFFAOYSA-N 394.880 2.589 0 40 GFAB O=C([C@H]1CCCCN1C(=O)c1ccc(OCC(F)(F)F)nc1)N1CCCC1 72276941 JSUQGKUNZPNNPZ-CQSZACIVSA-N 385.386 2.640 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 10153370 XBWOFHWKUJRCGW-HNNXBMFYSA-N 377.404 2.784 0 40 GFAB NC(=O)C1CCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)CC1 20673066 ZKXJSCRBDXJNEM-FYCOFBDGSA-N 376.460 2.637 0 40 GFAB Cc1ccc(C)c(N2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)c1 20141144 FHJQKSQNJFAIMA-UHFFFAOYSA-N 380.471 2.800 0 40 GFAB CSc1ncccc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 2636558 XWULTIKFQZMNIO-UHFFFAOYSA-N 396.371 2.518 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)c1 20824038 XSLRTISLMVHEMT-IBGZPJMESA-N 390.443 2.886 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3456648 IXHOUKGGIHWGNW-IBGZPJMESA-N 389.814 2.563 0 40 GFAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc(O)cc1=O 3477041 FFYYFLDZEAUFBT-INIZCTEOSA-N 387.505 2.891 0 40 GFAB COC(=O)c1ccc(OC(C)C)c(NC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1 72313742 DNWBCBCXGIKREX-CQSZACIVSA-N 387.440 2.790 0 40 GFAB COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71284280 USGLRNUNCIAPED-STQMWFEESA-N 389.433 2.699 0 40 GFAB COc1ccc2nc(NC(=O)Cn3nc(-c4ccco4)ccc3=O)sc2c1 71288575 RKAXYVCXDXZUBB-UHFFFAOYSA-N 382.401 2.760 0 40 GFAB C[C@@H](NC(=O)C[C@](C)(C(=O)O)c1ccccc1)c1ccc(-n2cncn2)cc1 13468250 FBCCBTGBPOTPSX-VFNWGFHPSA-N 378.432 2.877 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@@H](C)CC(C)C[C@@H]3C)=C2)cc1 20366850 HCQGFGHYLYPSCV-HOTGVXAUSA-N 389.521 2.894 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)/C=C/c3c(F)cccc3F)CC2)no1 65900932 FRSNIQXAUSRHIU-AATRIKPKSA-N 375.375 2.695 0 40 GFAB O=C(c1ccc(Br)cc1)[C@H](C(=O)N1CCCC1)n1ccccc1=O 4690303 ICGVKOXNNZOZNY-MRXNPFEDSA-N 389.249 2.657 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1cccc(Br)c1 5535518 DASQGJCRNUAEDD-UHFFFAOYSA-N 397.246 2.892 0 40 GFAB O=C1CCC(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)=NN1 6862435 HLRKNJVANNEPFQ-SDXDJHTJSA-N 383.260 2.598 0 40 GFAB CC(C)n1c(CNC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21 96232653 WOILXAVBWTVJOC-UHFFFAOYSA-N 379.399 2.662 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1N 4986543 QFQQNUHHIYGUPV-UHFFFAOYSA-N 387.440 2.846 0 40 GFAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)NC3CCCCC3)C3=C2C(=O)OC3)c1 67288560 OJJVRJJQQTZBTC-FQEVSTJZSA-N 397.475 2.630 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(-n2ccnc2)cc1 7286608 BCGYLESGZWQTPF-CQSZACIVSA-N 396.472 2.797 0 40 GFAB COC(=O)c1cccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 21679722 RGADCFIVPCDKHK-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C 7513515 UVAXWFKPOACQFM-CQSZACIVSA-N 397.406 2.808 0 40 GFAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cnn(-c2ccccc2)n1 8036250 KZWCORBTINMHLI-UHFFFAOYSA-N 381.461 2.700 0 40 GFAB COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1OCC(C)C 9579073 HSAKPDGFOZXEHT-UHFFFAOYSA-N 386.448 2.921 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3cccc(Cl)c3)ccc21 17117362 ZLUIEOCMYSYLJD-UHFFFAOYSA-N 378.881 2.982 0 40 GFAB CCOC(=O)/C=C1\SCC(=O)N1CCOc1cccc(Br)c1 18067877 HIHOZGQVOONEEO-ZROIWOOFSA-N 386.267 2.808 0 40 GFAB COc1cc(OC)cc(C2=N/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)O2)c1 96635119 FYRBLJMDOHAKBK-REZTVBANSA-N 383.356 2.512 0 40 GFAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1CC=CCC1 9882620 LILPPCUYRNQOHK-MRXNPFEDSA-N 375.428 2.870 0 40 GFAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 89865560 YPMPIHISFOZLTM-UXHICEINSA-N 377.444 2.833 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1C 546745345 GKVWDMZMSJNFDD-UHFFFAOYSA-N 377.344 2.555 0 40 GFAB CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207426 XTFCGLRJWHGHEP-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccccc1 408882012 NGWRRRQKQPMVRC-GDNBJRDFSA-N 390.442 2.602 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F)C(C)C 36585387 YNQHUAADWODWLL-NVXWUHKLSA-N 392.406 2.543 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 38757026 QFSPZVHHBIXXPL-UHFFFAOYSA-N 382.869 2.992 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38835101 LOXBIDUDKGVILS-INIZCTEOSA-N 396.852 2.514 0 40 GFAB CC[C@@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 35268830 MDXDRWAFAXKGRI-HXUWFJFHSA-N 399.466 2.766 0 40 GFAB Cn1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)cn1 44904085 VLXGZYUPBQXQTB-UHFFFAOYSA-N 388.427 2.901 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccco2)cc1OC 223276122 HYTFTOFHWRISGY-ATVHPVEESA-N 396.399 2.977 0 40 GFAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1N1C(=O)CCC1=O 224080037 ITHYYDNCSRDEMU-UHFFFAOYSA-N 388.445 2.766 0 40 GFAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ncc(C)s1 40313222 SSRFAXXHNHMVFJ-IBGZPJMESA-N 384.461 2.779 0 40 GFAB biogenic CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 225823173 NAMUCEZEDPKNNI-UHFFFAOYSA-N 388.283 2.599 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)c(C)c1 222809415 YWRGEFQQQPKOIS-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2-n2ccnc2C)c1 223709510 FTJDLSUPJMCKMZ-UHFFFAOYSA-N 387.461 2.676 0 40 GFAB CC(C)n1cnc2c1[C@H](C(=O)NCCCN(C)C)N(Cc1ccccc1)CC2 96037534 HZRAPUVANZPMOD-OAQYLSRUSA-N 383.540 2.631 0 40 GFAB CCNS(=O)(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1C 95116939 ARCJHAJKFXIFAK-UHFFFAOYSA-N 396.534 2.735 0 40 GFAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CSc2nccc(=O)n2C1 90609902 CDGKMKDHJVLBNW-QMMMGPOBSA-N 384.230 2.506 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)c1ccc(NC(C)=O)cc1)C=C2 96114686 RAJFPPZQPPNDIB-UHFFFAOYSA-N 394.427 2.901 0 40 GFAB biogenic COC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515971 OZMAUZVDXVMFMQ-SCTDSRPQSA-N 393.505 2.993 0 40 GFAB O=C(c1c(F)cccc1F)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607888 SRJSFIBUAIWOJA-UHFFFAOYSA-N 396.401 2.856 0 40 GFAB O=C(c1cnc(-c2ccccc2Cl)nc1)N1CCC(Cn2cnnc2)CC1 650637748 OFGCHMFQYZDSBB-UHFFFAOYSA-N 382.855 2.941 0 40 GFAB Cn1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(-c2ccco2)n1 665967872 OZUOFJOFJXOECB-UHFFFAOYSA-N 398.850 2.932 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CCO1 669505553 INFJDUDIEOWYIN-ZFWWWQNUSA-N 387.461 2.733 0 40 GFAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCN(CCc2ccccc2)CC1 635162647 LAUKJTBIHJYSMQ-UHFFFAOYSA-N 379.382 2.807 0 40 GFAB CCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(C(C)C)cc3)no2)[C@H](C)C1 553924384 FTSVJYVFMQLDFF-OAHLLOKOSA-N 392.525 2.716 0 40 GFAB COc1ccc(CS(C)(=O)=O)cc1NC(=O)Nc1cnn(C)c1C(F)F 672789349 JXZFECZPRCPKBQ-UHFFFAOYSA-N 388.396 2.555 0 40 GFAB CC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594896 FCBRSEYJDLLKCX-VBSBHUPXSA-N 375.513 2.648 0 40 GFAB O=C(NCc1c(F)cccc1Cl)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000171 BSTSFMYMNVHQLV-GUYCJALGSA-N 391.830 2.763 0 40 GFAB CO[C@H]1CCC[C@H](C(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)C1 12157954 ROWWRESUKADIAD-ROUUACIJSA-N 399.491 2.947 0 40 GFAB C/C(=C\c1ccccc1)CN1CC[C@H](c2cc(O)nc(N3CCOCC3)n2)C1 12365923 SXFXWQJKJNUXOK-UMEYKSNOSA-N 380.492 2.912 0 40 GFAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 12983638 RIDTYVAHRLMTPJ-HNNXBMFYSA-N 376.478 2.679 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCCN(Cc3cccc(C)n3)C2)c2cccnc21 19236217 GFGZOGCQBKGTOI-GOSISDBHSA-N 392.507 2.650 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19498974 NWOBLEQWUXOYBI-HSZRJFAPSA-N 393.487 2.577 0 40 GFAB O=C1COc2cc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)ccc2N1 19660238 GWEGLRNCYIVOKX-UHFFFAOYSA-N 385.383 2.980 0 40 GFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)CC3CCCC3)nc21 19698055 VLLIJFUSVHTYNS-UHFFFAOYSA-N 388.512 2.639 0 40 GFAB COC(=O)c1c(C)nc2ccn(-c3nc[nH]n3)c(=O)c2c1-c1ccc(Cl)cc1 19819220 CJJBFZVJBJWEGS-UHFFFAOYSA-N 395.806 2.919 0 40 GFAB CC(C)CCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935446 IXQQLELICDDDQU-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 6314233 JRNDFYWYUZFCAP-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)on1 13226001 LBQPNODYBLJBKR-HNNXBMFYSA-N 389.525 2.939 0 40 GFAB O=C(Cn1c(-c2cccs2)c(CN2CCOCC2)c2cccnc21)NC1CC1 19345250 HOIMNYYNWAVISV-UHFFFAOYSA-N 396.516 2.876 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC 4870523 WKURPAJXQMWCFF-UMVBOHGHSA-N 379.453 2.810 0 40 GFAB Cc1cc(C(=O)N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)n(C)n1 1888897882 YVPXTCRRKZHNHH-UHFFFAOYSA-N 394.479 2.580 0 40 GFAB Cn1c(O)nc2ncc(-c3cccc(C(=O)N4C[C@@H]5CCC[C@H](C4)C5O)c3)cc21 1116664682 XTLGHGNKWNGGEL-MCPYQZEQSA-N 392.459 2.574 0 40 GFAB Cc1nnc2c(N3CC[C@@H](COc4cccc(C(F)(F)F)n4)C3)nccn12 1889148910 ZESKSNAPHQGTAD-GFCCVEGCSA-N 378.358 2.752 0 40 GFAB Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1 9526762 IRNKWTIJBLOACR-UHFFFAOYSA-N 390.487 2.653 0 40 GFAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)N1CCCCC1 22768007 AQFLLYKYIKQCJV-UHFFFAOYSA-N 395.438 2.611 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2nnc(-c3ccco3)o2)CC1 44098962 LHDWDXBLEOATFH-UHFFFAOYSA-N 394.387 2.644 0 40 GFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)COc1ccccc1C 206795590 DHZJVAVIFNKQJG-DOTOQJQBSA-N 387.407 2.734 0 40 GFAB COc1ccc(CN(C)C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1OC 40051360 HESVPHSUEWUHRR-UHFFFAOYSA-N 384.354 2.543 0 40 GFAB COc1ccc(CN2CCN(C(=O)[C@H](C)Sc3nncs3)CC2)cc1F 40135741 OBLZXQCLCNPKDE-LBPRGKRZSA-N 396.513 2.511 0 40 GFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C(F)(F)c1ccccc1 40115924 ZUPXDFPIIXUCLT-UHFFFAOYSA-N 396.415 2.907 0 40 GFAB O=C(COc1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCCC1 32628578 CVWHGVVKYUOQFT-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCN(CCOc2ccccc2Cl)CC1 32654915 DBQLVPJEXWHSJF-UHFFFAOYSA-N 398.887 2.864 0 40 GFAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 32928060 NMTGKJHLWUBEOY-GFCCVEGCSA-N 382.869 2.968 0 40 GFAB O=C(COc1ccccc1-c1noc(-c2cccc(F)c2)n1)N1CCOCC1 33325123 JZMWQUOQRLSEOS-UHFFFAOYSA-N 383.379 2.780 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1C 53516964 KMZFZZNEBRYPQL-UHFFFAOYSA-N 394.475 2.997 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 917504 VUZMHNWFFOJGJX-AWEZNQCLSA-N 398.444 2.683 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 932450 YHACXMFGOICOAU-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2124293 KKGJKNOQCPDVMW-YJYMSZOUSA-N 381.384 2.811 0 40 GFAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=S)NC(=O)c1cccc(C)c1 2326015 OYWOUTGPLOXAQN-UHFFFAOYSA-N 388.445 2.926 0 40 GFAB COC(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)cc(C(=O)OC)c1 2625279 SGGZAEOESRQHSL-UHFFFAOYSA-N 399.428 2.867 0 40 GFAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc(C(=O)OCC)c1 2800796 OYLVGIGKUABSTN-JKSUJKDBSA-N 391.420 2.870 0 40 GFAB CC[C@@H](C)n1c(SCC(=O)NC(=O)c2cccn2C)nc2ccccc2c1=O 3355599 GOECCRQYFHHARW-CYBMUJFWSA-N 398.488 2.755 0 40 GFAB COc1cccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)c1 4327697 LHIMDNXJIWPJIH-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)cc1 4518764 ANGXLCSEDWQDBF-UHFFFAOYSA-N 389.415 2.500 0 40 GFAB COc1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1OC 4552750 QVFWTRAZVBUFNE-UHFFFAOYSA-N 391.556 2.620 0 40 GFAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nnc(CCS(=O)(=O)O)s1 4785815 OBYXHBSKPINRER-UHFFFAOYSA-N 396.372 2.631 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)N2CCCCCC2)cc(OC)c1OC 4822434 SISVZOQQYOHAKG-CMDGGOBGSA-N 377.437 2.671 0 40 GFAB CCOc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1 5077913 HRVQUAUKLOYIHB-UHFFFAOYSA-N 391.493 2.646 0 40 GFAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc2c(c1)OCO2 5289365 MSTPSFAVXDCBOJ-QGZVFWFLSA-N 385.397 2.644 0 40 GFAB COc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 5994752 BAOWWVMBIYUNTA-CYBMUJFWSA-N 386.404 2.603 0 40 GFAB O=C1CCSc2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2N1 6000867 YPUROKCOLCUYJD-UHFFFAOYSA-N 387.442 2.547 0 40 GFAB O=C(CNC(=O)c1cccc(Br)c1)OCCOc1ccccc1F 6083172 FLJLDSLLANTCIO-UHFFFAOYSA-N 396.212 2.940 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 6129731 DGOJNNQRJNQRHG-ZDUSSCGKSA-N 387.509 2.648 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1OC 6326860 PHBQZZWIDSDBBV-OVCLIPMQSA-N 379.434 2.939 0 40 GFAB CC(C)(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6681722 ODGYHACCOQGWRS-UHFFFAOYSA-N 382.463 2.775 0 40 GFAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 6784491 WXDUADCLFGBJTM-HNNXBMFYSA-N 376.478 2.960 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6945389 VARCGRVSCYRUFF-MRXNPFEDSA-N 390.505 2.849 0 40 GFAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1 6996042 XELIWPJJYAWTQB-UHFFFAOYSA-N 380.448 2.562 0 40 GFAB Cc1cc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)no1 7095193 TXGXKLWWNZBFMX-NSHDSACASA-N 396.432 2.525 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(SCC(N)=O)s2)cc1F 7300497 RLCPKOKNLWMTHI-QMMMGPOBSA-N 386.499 2.682 0 40 GFAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(N(C)C)cc1 7451273 CIVUIBIZCCSJQP-UHFFFAOYSA-N 378.432 2.868 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 8039563 WALQYOCMOBQGNU-KRWDZBQOSA-N 394.427 2.732 0 40 GFAB O=C(Cn1nnn(-c2ccccc2)c1=O)N[C@@H](Cc1ccccc1)c1ccccc1 8186506 WLSFEOZYWUILAM-NRFANRHFSA-N 399.454 2.529 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(c3ncnc4sccc34)CC2)cc1 8327084 DBFPEPYMVZQJSM-UHFFFAOYSA-N 388.518 2.901 0 40 GFAB Cn1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCS(=O)(=O)C1 8939332 BBRBXSPULKPHDM-VIFPVBQESA-N 375.878 2.802 0 40 GFAB O=C1Cc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccncc3)ccc2N1 9118515 YPYDCVYERQEKCQ-HXUWFJFHSA-N 379.441 2.644 0 40 GFAB O=C(NC[C@@H]1CCCO1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 10490583 QTMFRKTYLYQLOY-ROUUACIJSA-N 395.488 2.791 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 10518256 BGWKKMHCNSZTKB-UHFFFAOYSA-N 380.491 2.545 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 10966055 RSRSKHGFVNYEQF-HNNXBMFYSA-N 380.466 2.701 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(c2nc3ccccc3o2)CC1 11332386 DXBHEPOPNSIYCY-UHFFFAOYSA-N 389.419 2.659 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)NC1CCN(C(=O)c2ccco2)CC1 11529779 MWUZHVKGEANWSN-UHFFFAOYSA-N 394.431 2.509 0 40 GFAB O=C1NC2(CCN(Cc3ccccc3F)CC2)C(=O)N1CCc1ccccc1 11694018 KKDIILXTQNBDNH-UHFFFAOYSA-N 381.451 2.955 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NC3(CN4CCCC4)CCCCC3)ccc2N1 12362346 SQYDQAPRCHRRBS-UHFFFAOYSA-N 391.537 2.648 0 40 GFAB Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)NCCC(C)C)cc1 12515032 LAOUYLVDJXQBRO-UHFFFAOYSA-N 375.494 2.949 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 12787339 QLZZEVOWQFHOPB-ZNMIVQPWSA-N 394.537 2.890 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CN2CCC(c3ccc(O)cc3)CC2)cc1 12798686 RGBFHYFQQPEODQ-UHFFFAOYSA-N 388.489 2.614 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(=O)NC2CCCCC2)CC1 12977923 FNFZLDZWUUZJEV-UHFFFAOYSA-N 387.480 2.534 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(Cl)cc1 13670643 FZKNPIQCKCPWKV-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB CC[C@H](C(=O)NCc1ccccn1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714444 NDQUQHBSBHRZFO-MRXNPFEDSA-N 381.885 2.596 0 40 GFAB O=C(NCc1ccccc1F)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 14789828 VFKVHSHGYOAJQH-HNNXBMFYSA-N 382.391 2.531 0 40 GFAB CCCc1nnc(SCC(=O)Nc2nnc(CC)s2)n1C[C@H]1CCCO1 15935889 WTDITGRBDGUZHX-LLVKDONJSA-N 396.542 2.554 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1F 18237346 IWGFEHALLVCEFP-IBGZPJMESA-N 394.406 2.763 0 40 GFAB CC(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(C(=O)CC1CCCCC1)C2 19017165 FXQMORSCSFLDTB-GOSISDBHSA-N 386.496 2.721 0 40 GFAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2)ncc1C(=O)N1CCOCC1 19751877 OGFLOJRLBSMCBJ-FQEVSTJZSA-N 380.492 2.985 0 40 GFAB CCCN1C(=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1 20590595 RFLSOWDFLDASGE-KRWDZBQOSA-N 379.338 2.967 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(-c3cccn(CC)c3=O)n2C)cc1 23136347 QLEDVSCPSZQHQP-UHFFFAOYSA-N 397.504 2.957 0 40 GFAB CCc1ccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 24776757 RJYJATQCBZMCGS-UHFFFAOYSA-N 375.476 2.732 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 24809319 LBKXEWUCNGRAJR-ZDUSSCGKSA-N 380.448 2.774 0 40 GFAB CCn1c(=O)n(CCC(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c2ccccc21 26292096 WARRCRMFQIFHOF-MRXNPFEDSA-N 395.459 2.808 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 26526933 PLTNDLWPOUTNDA-UHFFFAOYSA-N 383.809 2.699 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccnc1 28200300 OMFMRBPCYFWGNT-INIZCTEOSA-N 377.897 2.903 0 40 GFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2F)C1 28915059 UVSMBHPDWBEMHD-AUUYWEPGSA-N 388.464 2.886 0 40 GFAB COC(=O)c1cccc(CS(=O)(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1 32778834 LUONBHDVVLTBGJ-HNNXBMFYSA-N 389.473 2.656 0 40 GFAB COc1cc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)ccc1C 32859837 ZEDLPWDPSWONCS-OAHLLOKOSA-N 395.459 2.840 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32909323 YRXMEDKBIAHNHL-XLIONFOSSA-N 396.443 2.716 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)C[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O 32936717 XTFQWSMTUIPIRP-QGZVFWFLSA-N 387.386 2.828 0 40 GFAB CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)cc(Br)c1c23 35686193 KVTDMUNOXHIGQK-UHFFFAOYSA-N 395.278 2.977 0 40 GFAB COCCNC(=O)c1c(C(F)(F)F)nn([C@H]2CCCN(C(C)C)C2)c1C 36704516 CKKIDAPKGZIMNW-ZDUSSCGKSA-N 376.423 2.632 0 40 GFAB COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 40088563 AXULEIWHOGYBPQ-ZDUSSCGKSA-N 395.419 2.564 0 40 GFAB O=C(NCc1cccs1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40121854 YYDNUNFJIWFIHZ-UHFFFAOYSA-N 379.445 2.928 0 40 GFAB COc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CCC(O)CC3)cc2)cc1 44037248 MRIFQQHSACIIRQ-UHFFFAOYSA-N 397.475 2.543 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 44885318 PMYGXSUGVVKQHR-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1c1ccsc1 46089434 XKLKLLDOIPQDAM-INIZCTEOSA-N 387.505 2.802 0 40 GFAB Cc1cc(C(=O)N2CCN(Cc3csc(-c4ncccn4)n3)CC2)c(C)o1 48345344 OERIGIXYHZWVKM-UHFFFAOYSA-N 383.477 2.768 0 40 GFAB O=S(=O)(Nc1ccc(F)cc1OCCO)c1ccc(OC(F)(F)F)cc1 48355714 QTOBAOQAMNGRRJ-UHFFFAOYSA-N 395.330 2.896 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 52590167 DXOURBSFLAGCDY-ZDUSSCGKSA-N 378.388 2.684 0 40 GFAB CC(C)(C)OC(=O)N1CCC(NC(=O)CCc2ccc3c(c2)OCO3)CC1 58223151 FKRLCDFNVWWPGB-UHFFFAOYSA-N 376.453 2.864 0 40 GFAB COc1cccc(CNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c1 58225403 QNGVVHQREPDTMB-UHFFFAOYSA-N 378.432 2.851 0 40 GFAB COc1ccc(NC(=O)c2ccccc2Br)cc1-n1nnnc1C 60365457 LJXRQMKUVMOELY-UHFFFAOYSA-N 388.225 2.994 0 40 GFAB COCCn1cc(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)cn1 72289083 JBIQGASJWHKOEN-SFHVURJKSA-N 378.448 2.892 0 40 GFAB Cn1ccnc1[C@H](O)c1ccccc1N1CCN(Cc2cccc(O)c2)CC1 72340479 RNBOMXDCTBETBV-OAQYLSRUSA-N 378.476 2.530 0 40 GFAB CC(=O)NCC(=O)N1CCC([C@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 72372025 UFHUVHKBXPUBRO-QHCPKHFHSA-N 399.535 2.580 0 40 GFAB O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCO[C@@H](c2ccccc2)C1 79489734 HJPABEJFQAAARE-IAGOWNOFSA-N 386.883 2.947 0 40 GFAB CCn1nnc2cc(C(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)ccc21 83840027 RFAYMCGHIFSVQC-CYBMUJFWSA-N 385.418 2.986 0 40 GFAB C[C@H](CC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1)c1ccc(F)cc1 89894491 RFRXSCDCTPVPPR-VQIMIIECSA-N 376.472 2.949 0 40 GFAB CC(C)(C)OC(=O)NCC(=O)Nc1nnc(CCOc2ccccc2)s1 94993309 VZRLXEAMHZCTEZ-UHFFFAOYSA-N 378.454 2.623 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1nc(C2CCCC2)no1 95962214 VQVQDABLHMXGPQ-LLVKDONJSA-N 390.465 2.651 0 40 GFAB CCN1C[C@]2(CC1=O)CN(Cc1ccco1)CCN(C(=O)Nc1ccccc1)C2 97952810 HBEIRXXOSVVGDZ-QFIPXVFZSA-N 396.491 2.868 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2[C@H]2C[C@H]3C=C[C@H]2C3)c1 100649020 AHJXUORPBKTCRJ-HUBLWGQQSA-N 387.465 2.558 0 40 GFAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@H](C)c4ccccn4)C3)nc2)n1 107098365 NDGVBTQLLTYEOJ-RHSMWYFYSA-N 392.463 2.929 0 40 GFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-n1cnnc1 222598415 XCFVANWDXMEBMA-MORSLUCNSA-N 379.493 2.992 0 40 GFAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(C)cc1 223141445 MUYQBUKSLGQUGB-CYBMUJFWSA-N 382.511 2.871 0 40 GFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)[nH]1 223170496 ZBGLRWBNVMTMBV-VQTJNVASSA-N 399.564 2.721 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)c1 223780370 SFKBJNVCXAIHEL-UHFFFAOYSA-N 395.462 2.636 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 224282233 ACFQGSPLWFJWKY-ZDUSSCGKSA-N 392.477 2.875 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1I 225201249 KRMQXOFEAXHRGV-VIFPVBQESA-N 383.251 2.623 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC(C)CC2)n1 225897589 YYCMKPCETMKWMJ-UHFFFAOYSA-N 392.573 2.636 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C)c2)cc1Cl 226047248 IRJMINWMVNWGSU-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB C[C@@H]1c2nc(CC(=O)N(C)C)cn2CCN1CCOc1ccc(Cl)cc1 247987696 KSYPKUGFCAWVAW-CQSZACIVSA-N 376.888 2.623 0 40 GFAB O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257305093 SOKMMAZVNGYNSC-GOSISDBHSA-N 378.432 2.576 0 40 GFAB COCCN1CCC[C@]2(CN(Cc3n[nH]c4ccccc34)CC(F)(F)C2)C1=O 306126652 FAYZSMGESUQBDY-IBGZPJMESA-N 392.450 2.659 0 40 GFAB CCn1cc(CN2CCN(C)[C@H](c3cn4c(N5CCCC5)cccc4n3)C2)cn1 306144848 ZQEBKLBNAGDRKX-FQEVSTJZSA-N 393.539 2.640 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CC)C2)cc1C 408559039 VDSSUEHZWGABTC-JKSUJKDBSA-N 382.526 2.709 0 40 GFAB COc1cc(C(=O)Nn2c(C)cc(C=O)c2C)ccc1I 408568560 VDVRBUQALQHNTC-UHFFFAOYSA-N 398.200 2.915 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 408601708 GPGHBQQGIOFKGM-LLVKDONJSA-N 384.404 2.669 0 40 GFAB CNC(=O)[C@@H](CNC(=O)Nc1ccc2c(n1)CCC2)Cc1ccc(F)cc1C 575866247 JYTFALPRWWHWKV-MRXNPFEDSA-N 384.455 2.744 0 40 GFAB O=S(=O)(C1CC1)N1CCCN(CCOc2cc(Cl)ccc2Cl)CC1 585080519 FVEQTGRTWVZZMG-UHFFFAOYSA-N 393.336 2.872 0 40 GFAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)NS(=O)(=O)c1cccc(-c2nnco2)c1 585094027 WCXREQAXNYKPBV-CJNGLKHVSA-N 397.403 2.757 0 40 GFAB Cc1cccc(CN2CCOC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)c1 585104373 LFKLBIONHOBFNX-QFIPXVFZSA-N 383.492 2.851 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N2CCN(C)c3cc(Cl)ccc32)s1 585123500 XNOOMBBCHYEVRB-UHFFFAOYSA-N 399.925 2.683 0 40 GFAB CN(C)c1nccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1 606898314 JLKWSYUHSIPCJO-UHFFFAOYSA-N 380.521 2.988 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)cn1C 1775967328 MNSQIKCTGUBNMO-LBPRGKRZSA-N 395.506 2.877 0 40 GFAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(Cc3cncn3C)CC[C@H]21 2037988702 FJEHXPOPZGXVQS-PZJWPPBQSA-N 396.535 2.874 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CCN(CCc3ccccc3)CC2)n1 47096225 BQAPWTRRVMJZFC-SFHVURJKSA-N 383.540 2.706 0 40 GFAB Cc1cc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCO5)no1 887108 OCHZFKAUTSUTRA-UHFFFAOYSA-N 397.416 2.947 0 40 GFAB C[C@@H]1c2cccn2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 78878070 ZTWTXMWBYSNAIB-CVEARBPZSA-N 377.485 2.807 0 40 GFAB COc1cc(Cl)ccc1C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 78821102 CEJITDONJWSREC-UHFFFAOYSA-N 392.887 2.987 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C2)n1 54703754 QXZKLLNTGKKPSY-INIZCTEOSA-N 384.480 2.812 0 40 GFAB Cc1csc(=O)n1CCCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 24079711 VFNROJRKQDNJEC-UHFFFAOYSA-N 387.505 2.876 0 40 GFAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1O[C@H](C)C(=O)N(C)C 24079774 LZERYRXTQAWGAU-BFUOFWGJSA-N 383.448 2.795 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(C)c(C)n23)n(C)c1=O 4912303 KJMLUATWTSJCEN-UHFFFAOYSA-N 385.855 2.819 0 40 GFAB CCOC(=O)CSc1nc(SC)nc2sc(C(=O)OCC)c(N)c12 6206228 UWCCHTSOMPBEJG-UHFFFAOYSA-N 387.508 2.827 0 40 GFAB COc1ccc(NS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1Cl 6823604 LAPCNENGYCPROO-UHFFFAOYSA-N 399.881 2.836 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)COCc2nc3ccccc3s2)C[C@@H](C)O1 25407807 ONCQBWDHQGMOGV-GASCZTMLSA-N 391.537 2.817 0 40 GFAB Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 12532163 AJPYMILRYMYXJU-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)CC1 56299273 WUGXPGLNNKQRHR-UHFFFAOYSA-N 380.473 2.936 0 40 GFAB O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCN(Cc2cccnc2)CC1 43903227 BKWHPKKFLQSVCR-UHFFFAOYSA-N 388.855 2.856 0 40 GFAB O=C(NCCN1CCN(C(=O)Cc2cccc3ccccc23)CC1)c1ccco1 26142428 KZWVOKJIZWUMOI-UHFFFAOYSA-N 391.471 2.550 0 40 GFAB Nc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nc2ccccc12 12641272 DXTSNEXEHPNYSK-UHFFFAOYSA-N 399.857 2.963 0 40 GFAB Cc1cccc2nc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cn12 12627671 DMSGQBYDCAGUNI-HNNXBMFYSA-N 378.432 2.804 0 40 GFAB Cc1nc(C(=O)NCc2ccc(S(=O)(=O)Nc3nccs3)cc2)cs1 84271983 LGNHTPKNSWBOFO-UHFFFAOYSA-N 394.503 2.639 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc2c(c1)CCO2 12756280 FFORVQDZYGJYFC-DEYRLNKFSA-N 386.473 2.502 0 40 GFAB O=C1CN(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C(=O)N1 29018058 WGGFSTYZGWXKID-UHFFFAOYSA-N 398.469 2.785 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(F)cc(F)c1 11549766 AUHXVYQQFIQDJW-UHFFFAOYSA-N 383.420 2.574 0 40 GFAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 29835258 IHEATMNIRXRIAJ-PPGNKHEKSA-N 376.400 2.872 0 40 GFAB CCOC(=O)[C@H]1CCCCN1CC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 12882375 BRAMTXURKGICPV-WMLDXEAASA-N 390.480 2.765 0 40 GFAB CCN(c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1)S(C)(=O)=O 10008551 GPVADHNHABICMZ-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1 10010147 BERSTMOODQELBV-UHFFFAOYSA-N 382.551 2.966 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1 12985464 AOTUSXCNJVRAFL-UHFFFAOYSA-N 379.526 2.769 0 40 GFAB COc1cc(OC)nc(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)n1 13007309 JBSJJDXLCHLOKP-UHFFFAOYSA-N 393.447 2.703 0 40 GFAB CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccccc2Br)CCO1 72309338 JLHCXEILPCDUKD-AWEZNQCLSA-N 384.270 2.561 0 40 GFAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 23554626 ULKXKMOIOCYVSR-UHFFFAOYSA-N 399.827 2.987 0 40 GFAB COc1ccc(-c2nc([C@H]3CN(C(=O)c4ccccc4OC)CCO3)no2)cc1 96000892 XHTQJEGIIWMYBJ-GOSISDBHSA-N 395.415 2.968 0 40 GFAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 20460670 IHWWGKWEGKZLLE-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB CCCc1ccc(C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1 96001776 HPJPYPVDBXEXKQ-KRWDZBQOSA-N 381.436 2.636 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@H]3c1cccs1 6660673 NJIJFDLYKYIDQO-KRWDZBQOSA-N 384.457 2.970 0 40 GFAB C[C@H]1CCN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 4915744 DTOPSWXMIXQGOS-NHYWBVRUSA-N 375.856 2.538 0 40 GFAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCCCC[C@H]32)C1=O 4915633 UENQICWJQRKPGH-HNNXBMFYSA-N 375.856 2.682 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2N2CCCC2=O)CC1=O 21600073 NUYKRVQCDZWRFB-HNNXBMFYSA-N 393.443 2.814 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cn2ccccc2n1 8281199 DYGORXQWNADAGJ-UHFFFAOYSA-N 384.461 2.761 0 40 GFAB COc1ccccc1-n1cnnc1SCC(=O)NCCOc1cccc(C)c1 8330916 DTRPKVQFTHKSPV-UHFFFAOYSA-N 398.488 2.872 0 40 GFAB CCc1cc(NS(=O)(=O)c2cc(Br)c(OC)cc2OC)n[nH]1 83820330 LLYHWQBSXJLXAI-UHFFFAOYSA-N 390.259 2.553 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(F)cc1C 22842242 SQZCLHVTDMSQBO-UHFFFAOYSA-N 383.397 2.739 0 40 GFAB O=C1CN(C(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)CCN1 71983160 AGWHUXVTDGAVIT-UHFFFAOYSA-N 395.246 2.551 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccccc1F)C2=O 8503486 MXCOOSWTRGBMDW-UHFFFAOYSA-N 375.444 2.675 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 408658015 KNTOAIMMLHCRFY-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CC(C)n1ncc2cc(NC(=O)Cc3csc(N4CCCC4=O)n3)cnc21 8881850 GOTMLTOJOBLPPG-UHFFFAOYSA-N 384.465 2.777 0 40 GFAB CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1(C)C 95987284 ZINGYGACSXPTDW-JBBXEZCESA-N 396.443 2.865 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)Oc2ncccc21 89941264 AGDVMKJOYQULHS-SNVBAGLBSA-N 399.266 2.829 0 40 GFAB Cc1cc(C)cc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 408705362 DAKZISSAWIHZAU-UHFFFAOYSA-N 376.478 2.712 0 40 GFAB Cc1nccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)nc3)CC2)n1 545404721 SMKAHUJDKLTDCF-UHFFFAOYSA-N 375.432 2.935 0 40 GFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccccc1 409341349 ACIVPGIVDAQMME-UHFFFAOYSA-N 399.451 2.615 0 40 GFAB Cc1cc(C(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)c(C)n1C1CC1 23267940 XYVZARDFKSJRMO-LJQANCHMSA-N 382.416 2.956 0 40 GFAB COCCN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 27351958 ODGNNLYHTPYYQI-UHFFFAOYSA-N 379.810 2.561 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 408601768 HEOKAVBILZZBMT-MRXNPFEDSA-N 388.489 2.507 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408563009 SVOJTBFRNUWQPI-UHFFFAOYSA-N 394.880 2.606 0 40 GFAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCC(=O)O 409241772 USAXCRDRBWCUDR-XNTDXEJSSA-N 395.433 2.622 0 40 GFAB CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408710020 LSIAPKAHAOXTLU-UHFFFAOYSA-N 397.475 2.870 0 40 GFAB O=C(O)CCC1CCN(S(=O)(=O)Cc2ccccc2Br)CC1 554433329 GHDAGQMVZZYQHY-UHFFFAOYSA-N 390.299 2.856 0 40 GFAB COc1ccc(-n2cnc3cc(C(=O)N4CCOCC4)ccc3c2=O)cc1Cl 36366267 FPKCKHJHGLDKJD-UHFFFAOYSA-N 399.834 2.520 0 40 GFAB COCCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409000007 DLNNGZJMTQZZLO-HXUWFJFHSA-N 382.460 2.903 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cccc3ccccc23)cc1 70636074 SSISHUWSCUOGAS-HXUWFJFHSA-N 398.484 2.554 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2cc[nH]n2)C1 72391464 OQJVYYFAAZLFFM-JOCHJYFZSA-N 392.434 2.776 0 40 GFAB Cc1ccnc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 565339190 KGURBPRXKOVBJF-GOSISDBHSA-N 389.459 2.871 0 40 GFAB CCOCc1ccc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1 47344457 KWXXQRQYWFRTCF-UHFFFAOYSA-N 392.459 2.536 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 223457450 MSOJJMXLMMMCJH-LJQANCHMSA-N 388.439 2.767 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223024867 AYYDEMALMWZEIT-PMACEKPBSA-N 393.516 2.945 0 40 GFAB CC(C)(Oc1nn(-c2ccccc2)cc1Br)C(=O)N1CCOCC1 227158938 KUDPTUMGOLKJDD-UHFFFAOYSA-N 394.269 2.651 0 40 GFAB COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)N(C)C 195532277 LXMIBVUSEYOTNU-GZRFBZBPSA-N 394.537 2.890 0 40 GFAB CC(C)NC(=O)N1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 96145427 VYDYQFFGDQMYRW-NVXWUHKLSA-N 399.944 2.684 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N(C)Cc1ccccc1)C=C2 96221672 ZETPIEVITARNDT-UHFFFAOYSA-N 380.444 2.718 0 40 GFAB biogenic COc1cccc2c1[C@@H](C(=O)N1CCN(C(=O)Cc3ccccc3C)CC1)CC2 580100424 BTQYVQZEMYHDFK-FQEVSTJZSA-N 392.499 2.947 0 40 GFAB O=C(Cc1ccsc1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 247867683 PFTUWOLCEQFHAV-OAHLLOKOSA-N 376.453 2.911 0 40 GFAB Cc1ncc2ccc(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)cn12 585082547 GYFDHIKIRUBMJV-UHFFFAOYSA-N 385.855 2.659 0 40 GFAB CCN(CC)C(=O)c1c[nH]nc1C1CCN(C(=O)C[C@@H]2CCCCO2)CC1 257316587 VGERMJCUFACQJU-INIZCTEOSA-N 376.501 2.557 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 364628919 MQNAPHIQTNOJBC-IPMKNSEASA-N 394.537 2.554 0 40 GFAB CCN1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C[C@]12CCOC2 1615589405 PICFFIIUAHPZPB-FQEVSTJZSA-N 388.899 2.771 0 40 GFAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1 678813951 SEXFRPIKSXUEJU-ZDUSSCGKSA-N 379.367 2.831 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 575422609 MEVFHDXUYFVTON-INIZCTEOSA-N 397.518 2.781 0 40 GFAB O=C(CCc1cccnc1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157536 KTVZCJZLGVNCHO-JOCHJYFZSA-N 397.450 2.578 0 40 GFAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 12088045 RJPQYLGETGVVKY-CVEARBPZSA-N 378.476 2.534 0 40 GFAB COc1ccccc1CNC(=O)Cn1nc(C)n2c(cc3sc(C)cc32)c1=O 12115343 HBXPDNRTGUCKAW-UHFFFAOYSA-N 396.472 2.653 0 40 GFAB O=C(CSc1nc(O)c2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1 12360234 OHKRLDZFQRHQGE-UHFFFAOYSA-N 398.463 2.915 0 40 GFAB biogenic,in-vitro CCOC(=O)Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 12634734 LYPWUTYHRHMTIX-UHFFFAOYSA-N 392.456 2.742 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 14220382 QIBUVTXXIRHADS-GFCCVEGCSA-N 381.450 2.761 0 40 GFAB Cc1ccc(Cc2c(C)nc(N3CCN(C(=O)c4ccco4)CC3)[nH]c2=O)cc1 17080133 NKCQEDAXEOSNMK-UHFFFAOYSA-N 392.459 2.533 0 40 GFAB COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 17083439 JRKWJWDADMHSLO-QHCPKHFHSA-N 395.455 2.964 0 40 GFAB CC(C)(C)Nc1c(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nc2ccccn12 19083116 UQOSUPKUBRVJDT-HNNXBMFYSA-N 383.496 2.529 0 40 GFAB O=C(N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1)c1cnccn1 19332473 WMSUQFTXXFMNMH-KRWDZBQOSA-N 393.422 2.680 0 40 GFAB CCCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19501410 UURIZTSXASSXMM-LJQANCHMSA-N 395.507 2.989 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 19560091 YTTKYEDCDCDQSN-HNNXBMFYSA-N 381.461 2.883 0 40 GFAB C=Cn1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 19584196 KSLFRXOFQUKVQL-QGZVFWFLSA-N 382.512 2.745 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19688190 WTXQKZMGGDVZMF-QGZVFWFLSA-N 377.485 2.797 0 40 GFAB O=C(CCC(=O)N1CC(=O)Nc2ccccc21)Nc1cccc(-n2cccn2)c1 19718102 FIINJCJBSYRHAC-UHFFFAOYSA-N 389.415 2.576 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(OC)c1OC 3652859 RCCZGINGOSYOHR-XNTDXEJSSA-N 386.379 2.944 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)cn1 1888904007 NYFDXYGCIVDSKV-INIZCTEOSA-N 375.432 2.783 0 40 GFAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ncccc2O)cc1 21402405 QKYQJLNVMCOQNE-UHFFFAOYSA-N 383.433 2.504 0 40 GFAB O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)NC1CCCC1 5388343 QFMIKNFDOSOGLB-UHFFFAOYSA-N 376.254 2.732 0 40 GFAB CCN1C(=O)CCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21 8962414 HVAWESNZKZFYOI-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB Fc1ccc(-c2ccc(N3CCN(Cc4nnc(C5CC5)o4)CC3)nn2)cc1 1775974799 QLYBISKPZWBITI-UHFFFAOYSA-N 380.427 2.865 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCN(CC)C3=O)cc1 4089099 OJVZXALOVCJZPD-UHFFFAOYSA-N 396.443 2.899 0 40 GFAB COc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC 13751856 MQGGQDXERHMFSO-YBEGLDIGSA-N 383.404 2.522 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40130122 XKJFEWMMJGMWNS-CYBMUJFWSA-N 399.882 2.877 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 40104138 QJBXUFDDBIEUME-UHFFFAOYSA-N 387.411 2.783 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC1CCCC1 40140376 CNSNTHQWFJKMAS-UHFFFAOYSA-N 396.509 2.768 0 40 GFAB CN(CCCOc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1 31122010 GUYGVSIOQWXRGC-UHFFFAOYSA-N 384.480 2.529 0 40 GFAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20713604 HHMUYZFESZUEIV-NRFANRHFSA-N 393.443 2.840 0 40 GFAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)Nc3ccccc3)c(=O)c12 646374 KAQIIFIXUQNPIU-UHFFFAOYSA-N 385.445 2.970 0 40 GFAB O=C1C[C@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1Cl 959248 LZBGNAXDTZDZBS-KRWDZBQOSA-N 385.851 2.921 0 40 GFAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 1378512 YMNMEQCYSBKZPU-KRWDZBQOSA-N 385.493 2.728 0 40 GFAB COCCOC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12 2304378 VZNHTBNCBMMBKO-UHFFFAOYSA-N 378.388 2.665 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3266778 AKDHACFYLSTQJG-UHFFFAOYSA-N 395.440 2.946 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3275051 WIYWFXUNLAIBAK-UHFFFAOYSA-N 387.363 2.757 0 40 GFAB CNc1nc2c(s1)C[C@]1(C)CC[C@@H]([C@H](C)C(=O)NCCOC)[C@H](O)[C@H]1[C@@H]2C 3840509 ARVQUMBPTQUCAY-KSJRLTASSA-N 395.569 2.637 0 40 GFAB biogenic,in-vitro C[C@]12C(=O)N(Cc3ccccc3F)CC(=O)N1CCc1c2[nH]c2ccccc12 4073798 FIDFOCPXKFEUHH-QFIPXVFZSA-N 377.419 2.949 0 40 GFAB biogenic CCN(CCOc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 4770445 DTZHKLADOZIQCH-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 5223063 IXQADQRGSUSFBB-UHFFFAOYSA-N 389.458 2.911 0 40 GFAB Cc1cc(C)n2nc(SCc3nc(N)nc(Nc4ccccc4)n3)nc2n1 5259827 IGWFHQOBTUDBEF-UHFFFAOYSA-N 379.453 2.544 0 40 GFAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(C)(=O)=O)c1 5574292 DQOWXSOPBBAMCH-CYBMUJFWSA-N 376.434 2.551 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 5712635 DGSADVAMZWFCMP-KOCOEAGCSA-N 381.472 2.505 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cccnc2)C1=O)Nc1ccc2c(c1)OCCO2 6970929 ZZDGYLMYQGHTPG-LZYBPNLTSA-N 397.412 2.528 0 40 GFAB Cc1ccc(S(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 8865317 SXNXBPKNVLFHLD-UHFFFAOYSA-N 398.484 2.641 0 40 GFAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc2c1OCCO2 10901070 ICCWMMMEDJRCQA-UHFFFAOYSA-N 398.459 2.575 0 40 GFAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cccs1 11693872 KSMYYMFZUSJBKF-UHFFFAOYSA-N 383.408 2.801 0 40 GFAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084981 JVTYKSWBJPXICY-GFCCVEGCSA-N 375.404 2.985 0 40 GFAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccc(F)cc2F)c(OC)n1 12156005 QIZUCVIXNHGTQP-DBIVSCPCSA-N 391.418 2.787 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2c(Cl)cnn2C)c1C 12159814 RIVGVMVJIWYRJD-AWEZNQCLSA-N 385.921 2.904 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)N(C)C3CCCCC3)c(=O)n12 12181872 NPSCMTTUYXZWTA-UHFFFAOYSA-N 381.480 2.959 0 40 GFAB CCc1ccccc1-n1c(S[C@H](CC)C(=O)OC)nnc1N1CCOCC1 12534052 VBYTYUFOORULLQ-MRXNPFEDSA-N 390.509 2.710 0 40 GFAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 12749209 MBEJXAJNQDETRY-AWEZNQCLSA-N 389.477 2.674 0 40 GFAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OCCCO2 12787999 HMONVLABCIQIHJ-UHFFFAOYSA-N 397.475 2.919 0 40 GFAB Cc1cccc(C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 12799822 WTMLQVWNFIVARU-IAGOWNOFSA-N 382.460 2.704 0 40 GFAB COc1ccccc1OCCNC(=O)CCNC(=O)c1ccccc1Cl 12850617 NTEDUKPUMJAFFK-UHFFFAOYSA-N 376.840 2.664 0 40 GFAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COCc1ccco1 12942181 YSPCYBYCGUJLRI-INIZCTEOSA-N 385.464 2.696 0 40 GFAB COc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC 13095716 JWWYHMQURGCQKT-UHFFFAOYSA-N 391.855 2.866 0 40 GFAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC(=O)c4cccn4C)cc3c2C1 14066856 UOPAMUFIDIAFHY-CYBMUJFWSA-N 393.443 2.745 0 40 GFAB CCOC(=O)c1sc(NC(=O)C[C@H](NC(C)=O)c2cccs2)nc1C 14078428 FOVPDUJDVKUZFF-NSHDSACASA-N 381.479 2.896 0 40 GFAB Cc1cc(C)n2c(SCC(=O)c3cccc(N4CCCC4=O)c3)nnc2n1 14128588 CNUPFJRLPPDFAW-UHFFFAOYSA-N 381.461 2.843 0 40 GFAB CC(C)(C)OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 16207920 WPBWMSBEERALBU-UHFFFAOYSA-N 397.493 2.750 0 40 GFAB COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 17077191 WLVUQSJTGVXEDH-FQEVSTJZSA-N 377.444 2.949 0 40 GFAB O=C(c1cc2c(F)cccc2[nH]1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 19345255 VNFODIHIUXYIDR-LLVKDONJSA-N 378.367 2.777 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19499450 BHCPOGNMTHWJNY-DNVCBOLYSA-N 398.482 2.825 0 40 GFAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1sc(-c3ccccc3F)nc1C)CC2 19561000 PIYCXNZROCEBAH-UHFFFAOYSA-N 398.463 2.890 0 40 GFAB Cc1cc(C(F)(F)F)c2c(C3CCN(S(=O)(=O)N(C)C)CC3)noc2n1 19569143 ZTHBCNQDJHBHSR-UHFFFAOYSA-N 392.403 2.536 0 40 GFAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccccc2OC)C3)c(OC)n1 19570004 WQTSZKUNBIKKBA-AQKKSAQBSA-N 399.491 2.622 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)N1CCc2nnc(C3CCN(C)CC3)n2CC1 19708982 LSRNOWLOGQTGCQ-UHFFFAOYSA-N 392.507 2.576 0 40 GFAB O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(CCc1ccccc1)CN2 19939336 LGTHCVJGFNSRIX-UHFFFAOYSA-N 396.878 2.666 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cn(C)c3ccc(F)cc3c2=O)CC1 22236424 AICIPLKEMYCFLH-UHFFFAOYSA-N 395.434 2.649 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccccc1Cl 22251480 XVQVHBJSDSRZLK-UHFFFAOYSA-N 382.869 2.674 0 40 GFAB COc1ccc(OCc2noc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 22828168 URXBDONXWGKUAU-UHFFFAOYSA-N 394.475 2.975 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccccc2Cl)C1=O 23324758 UDNLNSGVNDPHCZ-UZLBHIALSA-N 388.851 2.685 0 40 GFAB COc1ccc(C(=O)CCC(=O)NCCc2ccc3c(c2)OCO3)cc1OC 24381367 ZLWXQPYMTLORIH-UHFFFAOYSA-N 385.416 2.754 0 40 GFAB COc1ccc(CCNC(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)cc1 24574571 MQCPNUGGSYIUTD-UHFFFAOYSA-N 396.491 2.894 0 40 GFAB C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1 24714473 BBLLKGTUDJBAPT-NRFANRHFSA-N 392.547 2.714 0 40 GFAB COC(=O)C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)OC 24970994 HVKXDHXZHAQZDE-AEFFLSMTSA-N 387.457 2.741 0 40 GFAB Cc1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773624 JPLVILVLGGSVFR-LSTHTHJFSA-N 384.501 2.570 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1Cl)CC(=O)N2 31811775 NZWSOHFDPZFZRC-NSHDSACASA-N 379.811 2.975 0 40 GFAB CCN1C[C@@H](CN(C)C[C@@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 32814669 MQWRVHHPKKOHRH-TZIWHRDSSA-N 398.503 2.848 0 40 GFAB Cc1cccc(OCCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 32837011 ANRLPZVRLQIMEI-UHFFFAOYSA-N 388.489 2.734 0 40 GFAB COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n3nc(C)cc23)cc1OC 32909146 IQAIDAGODCULSN-UHFFFAOYSA-N 392.415 2.614 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598253 NIGVKWLHGGQEBV-UHFFFAOYSA-N 384.867 2.940 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccc(Cl)cc4[C@H]3C2)cc1 36138322 NQVGCCOFRNYWER-GOSISDBHSA-N 390.892 2.779 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38849480 DDFGJGMYDVAENX-SFHVURJKSA-N 390.461 2.559 0 40 GFAB COc1cc2c(cc1NC(=O)CCCN1C(=O)CNC1=O)oc1ccccc12 40009505 BOVKXPQENSRPFZ-UHFFFAOYSA-N 381.388 2.865 0 40 GFAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1n[nH]c(=O)c2ccccc12 40081794 JCHLAJJQAUFANX-IBGZPJMESA-N 399.454 2.975 0 40 GFAB CCN1CCN(Cc2ccc(CNC(=O)c3cccc(COC)c3)cc2)CC1 40115696 ITQGIAYWIKLFBR-UHFFFAOYSA-N 381.520 2.901 0 40 GFAB Cc1ccc(-n2cnnc2SCc2cc(=O)n3nc(C)sc3n2)c(C)c1 40119303 RTSZXTDSNTZEND-UHFFFAOYSA-N 384.490 2.949 0 40 GFAB O=C(NCCC(=O)N1CCCc2ccccc21)[C@H]1CC(=O)N(c2ccccc2)C1 40122583 HVINRUUQFJJICZ-SFHVURJKSA-N 391.471 2.525 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)N(C)Cc2ccccc2)c1 45137221 YVOYYCFOVVRWNJ-UHFFFAOYSA-N 375.494 2.715 0 40 GFAB Cn1ncc(NC(=O)Cn2nc(-c3ccc(-n4cccn4)cc3)c3ccccc32)n1 48282131 RVCLTKNKGGRHGL-UHFFFAOYSA-N 398.430 2.656 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)C1 48356262 MOTBFXWKWCZGSS-IAGOWNOFSA-N 383.492 2.804 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2ccc3nsnc3c2)N2CCOCC2)cc1 49408325 JWVYXJGQPRNWBV-LJQANCHMSA-N 382.489 2.803 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O 57427243 OLSLWSPSSSTPNM-UHFFFAOYSA-N 399.472 2.866 0 40 GFAB CN(C)C(=O)COc1ccc(NS(=O)(=O)c2cccc3ncccc23)cc1 58163051 PUXSXUICORQBAY-UHFFFAOYSA-N 385.445 2.503 0 40 GFAB CC(=O)[C@@H]1CC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)=NN1c1ccccc1 58179926 UQWZEVRQMBFAAW-KRWDZBQOSA-N 384.823 2.601 0 40 GFAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 95349601 UXFFNAPKOONYEF-UHFFFAOYSA-N 393.399 2.581 0 40 GFAB Cc1nc([C@@H]2CCCN(CC(=O)NCc3ccccc3OC3CCCC3)C2)n[nH]1 95966301 ZWXGOSUYMQATEO-GOSISDBHSA-N 397.523 2.930 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)n(C)n1 96005095 QOERFSLRVXAAOG-MRXNPFEDSA-N 390.509 2.590 0 40 GFAB CN(C)C(=O)OCCSc1nnc(CN2CCCC2)n1Cc1ccccc1 96010356 OLKUBBCIYSWKEK-UHFFFAOYSA-N 389.525 2.713 0 40 GFAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21)NC1CC1 96079509 BOEKPMYMIBYJOZ-QGZVFWFLSA-N 390.487 2.807 0 40 GFAB COCCn1cc(CCCC(=O)NCc2nnc3ccccn23)c2ccccc21 96343675 MUWHGDLSGMTALK-UHFFFAOYSA-N 391.475 2.970 0 40 GFAB COc1ccc(C2=NO[C@@H]3[C@@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 100204775 HCESIQRAMXQCCX-NYQSJBLOSA-N 388.423 2.870 0 40 GFAB O=C(NCc1ccco1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100837824 NTXAEMXTNHARBB-PJBUMPDVSA-N 388.423 2.767 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1Cl 101247713 ZZEXILUHBFSHFY-DEQQHWRFSA-N 397.855 2.983 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224256044 VASLUDLFICJRKK-LBPRGKRZSA-N 398.431 2.617 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCOC3CCCC3)ccc21 225271515 PZDSFHJJFRQFNP-UHFFFAOYSA-N 380.510 2.613 0 40 GFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@@H](c1cccnc1)C1CCOCC1 225622749 YMXXQQXFJKMOCK-JLTOFOAXSA-N 384.432 2.862 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NCCSC3CCCCC3)ccc21 225674222 UXASPKFREVCJBR-UHFFFAOYSA-N 386.564 2.944 0 40 GFAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCOCC3)n2)cc1 225946491 BUZIZTJXTPLFCE-UHFFFAOYSA-N 377.901 2.762 0 40 GFAB CC(=O)N1CCC(Cc2cc(N3C(=O)OC[C@H]3Cc3ccccc3)ncn2)CC1 257201181 AGRBTHPKQIMDFS-HXUWFJFHSA-N 394.475 2.846 0 40 GFAB CCN1CCN(C(=O)COC)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 257212087 CBXCNPFSAPBBOY-HXUWFJFHSA-N 384.451 2.741 0 40 GFAB CC1(C)O[C@@H](C2CCN(Cc3ccc(O)cc3)CC2)[C@H]2C[C@H]1C[C@H](O)[C@@]2(C)O 257240693 HUSIEUCDGIODFC-NROJZILJSA-N 389.536 2.920 0 40 GFAB Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)cn2)n1C 257289990 QBAHPSWQFQCXIK-KRWDZBQOSA-N 378.480 2.619 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 408587452 BYFXDPRDYHOVCW-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2C)CC1 408627584 LYZBUCZPQVVMRR-UHFFFAOYSA-N 396.516 2.790 0 40 GFAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)NCc1ccccc1 409133742 RFRVXDWJQWFIAN-HNNXBMFYSA-N 386.835 2.553 0 40 GFAB Cc1cc(O)cc(=O)n1CC(=O)NCCc1ccc(Br)cc1Cl 564047819 LQRAHDRSZRYLAS-UHFFFAOYSA-N 399.672 2.637 0 40 GFAB O=C(COc1ccccc1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585105044 ODYRVBBCUMZVMV-GOSISDBHSA-N 377.506 2.595 0 40 GFAB Cc1csc(C(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)c1 1565553684 HXNNAPSLFKIRRK-SFHVURJKSA-N 375.519 2.681 0 40 GFAB COc1ccc(NC(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)cc1OC 1888879233 ZAFJIZHDTDAURX-UHFFFAOYSA-N 385.468 2.935 0 40 GFAB COc1ccc(CN2C[C@@H]3OCCCCNC(=O)c4ccccc4O[C@@H]3C2)cc1 2037985472 LDOYJUDNOTVWKE-FCHUYYIVSA-N 396.487 2.867 0 40 GFAB COc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1N1CCCC1=O 61233492 OPLULWGHQUYTCD-UHFFFAOYSA-N 391.431 2.584 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 12327196 CVCNASVXPRSYPF-HXUWFJFHSA-N 377.488 2.922 0 40 GFAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C 8935370 JGNZJZOWONNYSD-MRXNPFEDSA-N 391.493 2.954 0 40 GFAB CCCc1cc2c(=O)n(NC(=O)Cn3cc(Cl)c(C)n3)c(C)nc2s1 2782482 VKTZODRFJPWPSN-UHFFFAOYSA-N 379.873 2.648 0 40 GFAB Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccccc5)c(C)cn34)n(C)c2=O)cc1 4250526 YKRJXNQVAXGEQX-UHFFFAOYSA-N 399.454 2.804 0 40 GFAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(Cc2ccccc2)CC1 23731762 AMIUKWZAHNCWIX-UHFFFAOYSA-N 397.548 2.927 0 40 GFAB CCc1ccccc1-n1c(S[C@@H](CC)C(=O)OC)nnc1N1CCOCC1 12534053 VBYTYUFOORULLQ-INIZCTEOSA-N 390.509 2.710 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 24609353 VCLBMCLAMFRFBO-UHFFFAOYSA-N 378.538 2.795 0 40 GFAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 12538637 UMWHNSXRZZYCEV-NSHDSACASA-N 387.871 2.666 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccccc1CN1CCOCC1 24923201 BEEHCKJKHQLQOZ-UHFFFAOYSA-N 378.476 2.644 0 40 GFAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCN(c4ccccc4)CC3)ccc12 25194716 UVUCNMDDMARGTG-IBGZPJMESA-N 394.471 2.663 0 40 GFAB Cc1cc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n(-c2nc3ccccc3s2)n1 25515225 FUEPAKXTNQBEOA-KBPBESRZSA-N 385.493 2.838 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)NCCc3cn4ccccc4n3)CC2=O)c1C 25529961 PCRFWFOGFQMELS-KRWDZBQOSA-N 376.460 2.663 0 40 GFAB C[C@H]1Cc2ccccc2N1CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C 108075819 NRYHIONIPONFPW-WMLDXEAASA-N 375.538 2.501 0 40 GFAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 9315579 VOFUNLWAVCGNJF-UHFFFAOYSA-N 398.426 2.698 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1OC 3298854 NHVBJFNENCGQOZ-UHFFFAOYSA-N 387.388 2.711 0 40 GFAB O=C(Nc1ccc(CN2CCCC2=O)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 97174029 SEFXFWQGZIAEOC-SFHVURJKSA-N 383.452 2.829 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccccc1F 12648068 LYYXAKNGGRYGTL-YUNKPMOVSA-N 387.386 2.609 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C[C@@](C)(O)c2ccccc2)CC1 58196502 ZFUHLEUDHQQQSU-HSZRJFAPSA-N 381.520 2.713 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 58171293 ALXMGYWOBKTYTC-QGZVFWFLSA-N 394.431 2.697 0 40 GFAB COCCn1nnnc1[C@H](C(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 57670043 RUQUOMZBQAQEBU-SFHVURJKSA-N 392.935 2.801 0 40 GFAB COc1ccccc1N1CC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2)C1 58209366 BYEMXXCCMRWINL-MRXNPFEDSA-N 378.469 2.780 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)c(C)c1 51316845 ZZMYPFPUABIWAX-UHFFFAOYSA-N 379.445 2.875 0 40 GFAB O=C(N[C@@H](C(=O)O)c1ccccc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 2139931 HQURCQXSIORDKI-ZWKOTPCHSA-N 382.416 2.730 0 40 GFAB biogenic O=C(NO[C@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 58420821 QVZIFOXPEJUHCR-CJNGLKHVSA-N 386.370 2.628 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)CSc2nncn2CCCOC)c1 10834915 IKHWCZMNTBNXKH-UHFFFAOYSA-N 394.497 2.843 0 40 GFAB COc1ccccc1COC[C@H](O)CN[C@@H](c1ccc(F)cc1)c1nccn1C 28657715 VUPDWVWIPAJFIH-CTNGQTDRSA-N 399.466 2.825 0 40 GFAB O=C(/N=c1\sccn1Cc1ccccc1Cl)[C@H]1CC(=O)N(C2CC2)C1 29651724 DAGARJBXJJAEBO-HGENEIFLSA-N 375.881 2.690 0 40 GFAB Cc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2c3c(sc2n1)CCCC3 3455757 NDZDTDOQWRSSOX-HNNXBMFYSA-N 386.521 2.706 0 40 GFAB CNC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12909245 FKXKUCXSTKYCAC-UHFFFAOYSA-N 381.461 2.914 0 40 GFAB CCc1noc(CSc2nc3sc4c(c3c(=O)n2CCOC)CCC4)n1 13013380 XSICHASGMZGINF-UHFFFAOYSA-N 392.506 2.831 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)cc1 13175123 HWZKPDOFAAATAH-HNNXBMFYSA-N 381.837 2.689 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1C 4340738 ZPFFQJNHRFFKAK-UHFFFAOYSA-N 397.431 2.602 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 14171431 JNTDUMBIFDFUGQ-OAHLLOKOSA-N 390.443 2.684 0 40 GFAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C 19691211 KAHQGHLLOCPHCN-GOSISDBHSA-N 386.492 2.812 0 40 GFAB O=C1COc2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c(Cl)cc2N1 65795260 ICIQRUZCMFFCJT-WCQYABFASA-N 396.827 2.644 0 40 GFAB COc1ccc([C@@H]2C[C@@H](c3ccc4c(c3)OCO4)n3nnnc3N2)cc1OC 6661709 XBKVNOHOKCUVDN-KBPBESRZSA-N 381.392 2.565 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9422742 ORVNSDHDZGSXNA-ZDUSSCGKSA-N 379.869 2.774 0 40 GFAB Cc1ccc2c(c1)CCCN2CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 7214644 IRZUUGQAZXKKJQ-IBGZPJMESA-N 390.549 2.706 0 40 GFAB Cc1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1Cl 15858542 NSBNJXGRNRFQIT-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cnn(-c3ccccc3)n2)c1 7735093 SLRPBYQLWZTVES-UHFFFAOYSA-N 376.825 2.577 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1ccccc1Cl 7831294 ATVRNHGTYTWEED-UHFFFAOYSA-N 382.851 2.914 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2c(=O)cnc3ccccc32)sc2c1CCC2 7985356 BLGHMGDLQMMEMD-UHFFFAOYSA-N 397.456 2.762 0 40 GFAB CC(=O)c1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 20459114 AFZCIZPMDUEPMG-OAHLLOKOSA-N 388.489 2.841 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)CSC(C)(C)C)c1 8709762 CLFMSZGRUJSNBQ-UHFFFAOYSA-N 380.510 2.775 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 97014032 REWMDLXCKMBJOM-WFASDCNBSA-N 376.482 2.538 0 40 GFAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3F)c2C)c1 67323030 CFPZYWITFYIHIA-UHFFFAOYSA-N 395.394 2.819 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCC(C)C 408560924 FRSCEZGZNGWOCD-UHFFFAOYSA-N 382.526 2.711 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3cccnc3)C[C@H]21 306131475 KFRZZVZGJFVCEY-PZJWPPBQSA-N 377.469 2.899 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1F 30857693 DMZFTKZMTVRWAG-UHFFFAOYSA-N 375.425 2.807 0 40 GFAB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)N1CCN(c2ccccc2)CC1 36635265 WOAWMOCSFOFPFF-GOSISDBHSA-N 395.484 2.994 0 40 GFAB CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)CC1 72346251 XKWNPYHKUWTZMA-QGZVFWFLSA-N 397.498 2.913 0 40 GFAB COc1c([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc2c(c1OC)OCO2 35326235 CSCFQBKVWNPHMK-LLVKDONJSA-N 395.367 2.715 0 40 GFAB CC(C)(C)c1n[nH]c(SCC(=O)N2CCN(Cc3ccccc3F)CC2)n1 32907156 AATRVNAPWNKDDO-UHFFFAOYSA-N 391.516 2.678 0 40 GFAB CS(=O)(=O)N1CCc2nc(NC(=O)Nc3cccc(Cl)c3)sc2C1 77155447 TUYFKDJHYIPMJE-UHFFFAOYSA-N 386.886 2.758 0 40 GFAB Cc1cc(NC(=O)CN2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)no1 49377739 BMSPPIHXVHWTPD-UHFFFAOYSA-N 385.399 2.990 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223610302 YDVXHZNPTKMEKG-PMACEKPBSA-N 393.516 2.681 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2cccc(C)c2C)ccc1C 223964634 YTLMMDKHUFNOOG-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB Cc1ccccc1OCC(=O)NCCc1nc2c(c(C(F)(F)F)n1)COCC2 225580632 LPFKLKGOXMFHTJ-UHFFFAOYSA-N 395.381 2.614 0 40 GFAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 224041582 JWIDMDISEGELBI-INIZCTEOSA-N 392.496 2.956 0 40 GFAB O=C(CN1CC(c2nc(-c3ccsc3)no2)C1)Nc1ccc2c(c1)OCCO2 77099601 WRIZIFJPLZXYQN-UHFFFAOYSA-N 398.444 2.607 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225125890 FCDVXFQELLQQQA-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1C 96237733 DMWUBIFRWCAZBA-QHCPKHFHSA-N 377.488 2.867 0 40 GFAB CN1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc34)s2)CC1 96266587 VMECGQJQCJCKAT-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB O=C1[C@H](NS(=O)(=O)CCC2CCC2)CCN1c1ccccc1OC(F)F 585084731 BWJSQXRELLMKGG-CYBMUJFWSA-N 388.436 2.503 0 40 GFAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)C(C)(C)OC)CCO3)n2)s1 257272092 NBAHYCTUJXVLOO-CYBMUJFWSA-N 391.497 2.564 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 257219927 DIVWSZAXOROJDU-GOSISDBHSA-N 397.479 2.600 0 40 GFAB CC(C)n1nccc1-c1cccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257244726 IMNKEUFVBANSRB-HNNXBMFYSA-N 377.514 2.512 0 40 GFAB CCCn1cc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N(CC)CC)cn1 257246514 IUKQIWHMPGXQOW-QGZVFWFLSA-N 386.500 2.866 0 40 GFAB O=C(Cc1ccccc1)NCC(=O)Nc1cccc(I)c1 26537434 KIVGPZMWGIZHRK-UHFFFAOYSA-N 394.212 2.589 0 40 GFAB CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)C(=O)O 43959511 NRIJKXQFZNYSEO-GTNSWQLSSA-N 392.477 2.985 0 40 GFAB biogenic C[C@@H](CC(F)(F)F)CS(=O)(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 656517645 MOQVXTWBZAVDMF-YUTCNCBUSA-N 379.400 2.705 0 40 GFAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)cc1 390829609 FJAKXRZZMDFPHG-MRXNPFEDSA-N 399.472 2.862 0 40 GFAB NC(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 72396282 DVZRWDMSHGAUOH-LJQANCHMSA-N 392.434 2.977 0 40 GFAB CC(C)Sc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 48679745 XOABBFOPBDYWLX-HNNXBMFYSA-N 375.538 2.612 0 40 GFAB COc1cc(CC[C@@H](NC(C)=O)c2cccc(O)c(=O)c2)cc(OC)c1OC 5663282 UYCXOJZDDYJBJN-MRXNPFEDSA-N 387.432 2.588 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1OC 13581401 ZPQIICVYGFASDV-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]3c3cccc(F)c3)ccc21 15671077 YRBKXCRKORFTGH-OAHLLOKOSA-N 376.409 2.796 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)c1 16187740 FECPJIGMMMSRJC-UHFFFAOYSA-N 398.525 2.553 0 40 GFAB Cc1cccc(N2CCN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)c1 16281561 QADDQAYVKPMVCM-UHFFFAOYSA-N 379.382 2.524 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 17081437 BFPLSOZROXFXCI-IUODEOHRSA-N 398.381 2.612 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@H]3CCCN3C)ncc2C1 19134328 PGMCPVQYJBXLBP-GOSISDBHSA-N 396.491 2.524 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 19169147 BDEJYGXMFCNMRW-UHFFFAOYSA-N 383.267 2.668 0 40 GFAB O=C(Cc1ccccc1F)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19348069 JMBCQWCSDZFXGH-UHFFFAOYSA-N 392.434 2.920 0 40 GFAB COc1nc(C)c(CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)c(OC)n1 19579474 XLGRIBAYWYCRAQ-QGZVFWFLSA-N 398.488 2.901 0 40 GFAB Cc1ccnn1CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCO1 19740024 DGZZQHRMWGHYNK-NRFANRHFSA-N 380.448 2.755 0 40 GFAB CN(C)c1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)nn1 1889130394 RVPLCKBCOHJSAH-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(c4ncnc5c4CCC5)CC3)cnc2c1 1889201604 DQBWAONXNBRROG-UHFFFAOYSA-N 391.475 2.600 0 40 GFAB CCOC(=O)C1=C(CN2CCn3cccc3[C@@H]2C)NC(=O)N[C@@H]1c1ccccc1 22063750 INVYJCIZTYQUDL-MGPUTAFESA-N 394.475 2.736 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037840836 TUDXOXCBRWXBFD-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)C4CC(F)(F)C4)C[C@@H]32)CC1 1565552559 ZOHQXPHAAFJTGD-XJKSGUPXSA-N 376.451 2.856 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 3406212 TYNRJVJBOYNQRO-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB CCOC(=O)[C@H](C)Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165190 BGHZDGSCDTUATC-NSHDSACASA-N 388.449 2.852 0 40 GFAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccccc3)s2)s1 9366979 AWTVOKVDJVKNGX-UHFFFAOYSA-N 392.491 2.681 0 40 GFAB COc1ccccc1N1C(=O)N[C@@](NC(=O)c2cccs2)(C(F)(F)F)C1=O 9486764 XZZJIVPHWILPEL-OAHLLOKOSA-N 399.350 2.502 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCCC1=CCCCC1 12422919 BGVSHCNYDQRJDI-UHFFFAOYSA-N 386.477 2.633 0 40 GFAB COC(=O)c1ccc2c(=O)n(Cc3ccc(OC)c(OC)c3)c(=S)[nH]c2c1 16959921 OZDFBCGEHRDNKO-UHFFFAOYSA-N 386.429 2.911 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)c1 1775972498 IKFKGYAMLGRYDF-UHFFFAOYSA-N 397.500 2.806 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)s1 23108088 MRIPWXUNFPOXHH-MRXNPFEDSA-N 384.498 2.547 0 40 GFAB CCOc1ccc(CC(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1OCC 44167955 AWCAHAKGDLBYAQ-UHFFFAOYSA-N 396.447 2.658 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccccc1F 4853628 VFXDXEYDAHBDCT-UHFFFAOYSA-N 383.401 2.807 0 40 GFAB CCOc1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1OCC 40012254 RICVGGBDXGVHSY-QAPCUYQASA-N 383.510 2.732 0 40 GFAB CC(C)Cc1nc(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)no1 32788912 XSZILRYJTNYHHQ-UHFFFAOYSA-N 396.494 2.952 0 40 GFAB COc1ccc(CN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C2CC2)cc1 32781615 IELWONCPANULGL-HXUWFJFHSA-N 379.460 2.780 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1 665998 KUVUOEIEPFLZSK-INIZCTEOSA-N 395.459 2.523 0 40 GFAB CN(CC(=O)N[C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)s1 53476088 NWDFCZSNKGORJP-CYBMUJFWSA-N 384.910 2.826 0 40 GFAB COc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1Cl 687767 VLUJGICCRXIWHP-UHFFFAOYSA-N 396.896 2.791 0 40 GFAB O=C(OC[C@@H]1[C@@H](COC(=O)c2ccncc2)C1(Cl)Cl)c1ccncc1 874948 YOGBWCOZVLBAON-ZIAGYGMSSA-N 381.215 2.910 0 40 GFAB CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)o2)cc1 1329722 FCWQDPFUQUZIBD-UHFFFAOYSA-N 398.510 2.505 0 40 GFAB CCn1cc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cn1 2804916 PISWIRVCFDHQJN-UHFFFAOYSA-N 377.445 2.705 0 40 GFAB O=C(COC(=O)CCc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 3240290 AKBWOPMDNGDSHF-UHFFFAOYSA-N 398.440 2.817 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2F)sc2c1CCCC2 3296183 RREFFSRZBOCZKY-UHFFFAOYSA-N 394.399 2.800 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCCc2ccccc2)c1C 3365503 UCYLZEZCJHPDAF-UHFFFAOYSA-N 386.448 2.714 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c(OC)c1 3522013 WRNTXZCDXQOWKZ-OAQYLSRUSA-N 382.416 2.662 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2C)n(C)c1=O 4249506 IEHJQNQSOQSPDH-AWEZNQCLSA-N 381.480 2.793 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1 5148725 OYAWVSLLMNFDAD-UHFFFAOYSA-N 375.352 2.807 0 40 GFAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O 5304504 DUBVETVMKPJNON-INIZCTEOSA-N 376.460 2.834 0 40 GFAB Cc1n[nH]c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nc1=O 6016795 IRBWONSKPHCIJR-UHFFFAOYSA-N 382.445 2.783 0 40 GFAB COc1ccccc1C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1 7386886 GWBSWBKPUSCWCO-UHFFFAOYSA-N 392.506 2.950 0 40 GFAB C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)C(=O)N1CCc2ccccc2C1 7621519 XZLBOLZGBVQFRL-HNNXBMFYSA-N 394.427 2.501 0 40 GFAB CCOC(=O)C1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 7663573 XQDBZBPBYXVFMQ-UHFFFAOYSA-N 384.480 2.703 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CC(=O)Nc3ccccc32)c1 7718148 IZHMSLVHSJGWPI-GOSISDBHSA-N 395.459 2.826 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OC)c1 7738093 JGMLFXFHSFKEAL-UHFFFAOYSA-N 390.461 2.756 0 40 GFAB Cc1ccc(-n2nnnc2SCc2cc(=O)n3c(C)csc3n2)c(C)c1 7779989 BLUKEPXFICLQGF-UHFFFAOYSA-N 384.490 2.949 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1 8205896 PICHOBIQGBNBRP-UHFFFAOYSA-N 387.230 2.505 0 40 GFAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N1CCC[C@H]1CO 8765355 XATDFLPMPKIQKC-HNNXBMFYSA-N 395.411 2.528 0 40 GFAB biogenic CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 9245765 ASQQKOXUKNTCNF-JOCHJYFZSA-N 393.443 2.655 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)NC1CCCCC1 9762017 IVJACAPWXXLHSI-UHFFFAOYSA-N 387.914 2.992 0 40 GFAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCC)CC2)cc1 9885635 HBIKYCLFJAMPBC-MRXNPFEDSA-N 381.542 2.844 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 10469753 VWLRBJMRDJIDBS-UHFFFAOYSA-N 380.441 2.783 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCCc1nc2ccccc2[nH]1 11486465 YCCUYKLCFBDWLU-UHFFFAOYSA-N 389.459 2.871 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C3CCC(=O)CC3)C2)C1 12365361 XRUDCZJJSKQYJF-JOCHJYFZSA-N 384.476 2.548 0 40 GFAB CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)OC)cc2)N(C)C)cc1 13002892 NVZFREAJTZUWKK-IBGZPJMESA-N 390.505 2.617 0 40 GFAB Cc1ccc(NC(=O)CN2CCC(C)CC2)cc1S(=O)(=O)N1CCCCC1 13041053 DOLCHELHMZLXEF-UHFFFAOYSA-N 393.553 2.840 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 13987831 QJCBFVGFNIZBFR-UHFFFAOYSA-N 383.809 2.699 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccc4c(c3)OCCO4)ccc12 14390230 JXNUJSZCZHBLAH-UHFFFAOYSA-N 395.411 2.910 0 40 GFAB O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(Cc2ncc[nH]2)C1 15674282 GLPKNUQMQAQSCW-YPMHNXCESA-N 395.341 2.666 0 40 GFAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2O)c1 17077375 AGECRHKQNXBLAU-UHFFFAOYSA-N 378.450 2.684 0 40 GFAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)no1 17304591 KFBVJVNHDQCIDD-UHFFFAOYSA-N 397.416 2.912 0 40 GFAB C[C@@H](OC(=O)CCNC(=O)c1ccsc1)C(=O)Nc1ccc2c(c1)CCC2 18597855 VNVBYKPUOQKGBP-CYBMUJFWSA-N 386.473 2.927 0 40 GFAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)c1cc[nH]n1)cn2C 19287134 AJQBFBHJNBBYOO-UHFFFAOYSA-N 376.420 2.605 0 40 GFAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)c1cc2ccc(F)cc2[nH]1 19346770 WIXHIPCXQCSLBH-CQSZACIVSA-N 392.438 2.559 0 40 GFAB C[C@@H](C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)c1ccccc1 19459087 NBCGLVWXYNLROL-QGZVFWFLSA-N 391.471 2.554 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CCC(c3n[nH]c4ncccc34)CC2)c1 19551316 HLCHWMCYIHFLCJ-UHFFFAOYSA-N 380.448 2.924 0 40 GFAB COc1cccc(CN2C[C@@H](c3ccccc3)[C@@]3(COCCC(=O)N3)C2)c1OC 19568110 JTBNEVZBNQGRRI-CVDCTZTESA-N 396.487 2.579 0 40 GFAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 19711111 MPOJNVWXALYWME-QGZVFWFLSA-N 392.507 2.544 0 40 GFAB C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 20452375 VDTRFCXHAGUSTI-SJCJKPOMSA-N 394.880 2.744 0 40 GFAB Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)C[C@@H](C)C2 20555702 JYMYHICTMJPPED-AWEZNQCLSA-N 394.475 2.601 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)CC1 22200776 YPNPONRTMCXXQH-OAHLLOKOSA-N 385.537 2.789 0 40 GFAB O=C(NC1CC1)[C@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 22265536 JMDKZOIZIKTHEO-QGZVFWFLSA-N 389.381 2.858 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cc1 22611919 ZECCOZZPJSCXOD-HUUCEWRRSA-N 387.480 2.709 0 40 GFAB c1ccc(CN2CCCNCCN(Cc3ccccc3)CCCNCC2)cc1 22861601 QWGFFCRTIFBAFJ-UHFFFAOYSA-N 380.580 2.964 0 40 GFAB CC(C)n1c(N2CCCCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 23115418 JVFQEOBNZUGHDT-UHFFFAOYSA-N 381.480 2.516 0 40 GFAB Cc1cc(-n2c(C)cc(/C=C/C(=O)OCC(=O)NCC(F)(F)F)c2C)no1 23268103 PNVNMGXQZSLRIZ-SNAWJCMRSA-N 385.342 2.625 0 40 GFAB CCCc1nnc(S)n1CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 23465002 DYNFNWSIOCSETC-UHFFFAOYSA-N 375.498 2.640 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(Cl)c2c(c1)OCO2 23653268 ZCQBFOZGYJVCNA-UHFFFAOYSA-N 380.872 2.834 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(-c2ccc(F)cc2)o1 25598397 JTHMVALGECRLDJ-UHFFFAOYSA-N 399.422 2.957 0 40 GFAB CCOc1ccccc1Nc1nnc(SCc2ccc(OC)cc2)n(N)c1=O 28535214 SBNRNZMFJGOGEU-UHFFFAOYSA-N 399.476 2.795 0 40 GFAB CCn1c(=O)c2ccccc2n2c(COc3ccccc3NC(C)=O)nnc12 29271418 IGNKWXMBHOMJNT-UHFFFAOYSA-N 377.404 2.602 0 40 GFAB CCn1c(C2CC2)nn(CN2CCN(Cc3csc(C)n3)CC2)c1=S 30003197 OYJGUXFSRRXNKM-UHFFFAOYSA-N 378.571 2.852 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 32610518 HSYBZRYYYHUGID-UHFFFAOYSA-N 384.461 2.999 0 40 GFAB CC1CCN(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 32755130 NLFCMQRNTTVRAH-UHFFFAOYSA-N 391.459 2.804 0 40 GFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1OC(F)F 32808611 WXSAAFQUSLEHRF-UHFFFAOYSA-N 381.379 2.871 0 40 GFAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ncccc1O 32841703 AXCNVKSLXGDSBJ-UHFFFAOYSA-N 384.442 2.926 0 40 GFAB Cc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 33587649 VJPNHECOHAFEMO-UHFFFAOYSA-N 380.897 2.726 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 36079785 BTVBFIDQRLWCRK-HXUWFJFHSA-N 387.505 2.760 0 40 GFAB Cc1cccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080496 JMQRMUWVQLPHCF-LSTHTHJFSA-N 384.501 2.570 0 40 GFAB Cc1ccc(NC(=O)[C@H]2[C@@H](c3cn(C)nc3C)n3ncnc3N[C@@H]2C)c(C)c1 36621401 YPLKRHLKVXCGEZ-ZTFGCOKTSA-N 379.468 2.595 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)O2 38853506 FWUCKTJBSMQXQR-MRXNPFEDSA-N 398.843 2.953 0 40 GFAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(S(N)(=O)=O)c3)o2)cc1 40024922 PVMCEMKEPOLUIN-GFCCVEGCSA-N 387.417 2.610 0 40 GFAB COc1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc1OC 40288570 SZIUVZFMEWJMNY-UHFFFAOYSA-N 385.449 2.872 0 40 GFAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccccc3Cl)no2)CC1 41184704 SFPQMTNDVSXUIV-UHFFFAOYSA-N 392.843 2.623 0 40 GFAB COc1ccc(NC(=O)c2cnccn2)cc1OCc1cn2ccccc2n1 48206316 JXEGJKAFHLAABK-UHFFFAOYSA-N 375.388 2.964 0 40 GFAB Cc1ccc(O)c(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 48232377 FUKVXEGKZLQFNL-UHFFFAOYSA-N 382.869 2.991 0 40 GFAB O=C(Cc1cccc2cccnc12)N[C@@H](CN1CCOCC1)c1ccccc1 54520065 VKROWZNBJHHSMN-NRFANRHFSA-N 375.472 2.967 0 40 GFAB C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(F)cc2Br)C1 55240498 APFMZNMIZIZSRW-GFCCVEGCSA-N 393.322 2.989 0 40 GFAB C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)N(C)C)cc1 55829215 DYWQRBVUVDPTNI-YGRLFVJLSA-N 379.309 2.698 0 40 GFAB CC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCC(O)CC1 57710605 GZSNQRPFRGGCPI-HNNXBMFYSA-N 383.418 2.993 0 40 GFAB CCn1c(CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 57996019 RZNNSVXJYMFEHP-AWEZNQCLSA-N 380.423 2.865 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2nccs2)c1C 71327154 HCUQAJLLLSFHQJ-UHFFFAOYSA-N 390.856 2.896 0 40 GFAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(Br)cc1 71405288 GMRKVUKVSUDJIM-HIFRSBDPSA-N 387.277 2.913 0 40 GFAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)c3nccn3C)nc(C)n2)s1 72360413 SOVMLJIUYADCBC-ZDUSSCGKSA-N 398.496 2.653 0 40 GFAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccc(Cl)cc3)O2)no1 77262738 YIHXKNOYMBAGIQ-YTQUADARSA-N 380.872 2.715 0 40 GFAB biogenic,in-vitro CCOC(=O)c1cnc(S[C@H]2CCN(c3ccccc3Cl)C2=O)nc1N 78805982 HNFISIFLLPBLOD-ZDUSSCGKSA-N 392.868 2.787 0 40 GFAB COCCn1ccc2c(NC(=O)CN3C(=O)CC4(CCCC4)C3=O)cccc21 80332017 CAMCHSFEDZBCDT-UHFFFAOYSA-N 383.448 2.546 0 40 GFAB CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@H](CNS(C)(=O)=O)C1 95430504 MDKBGGWKIWXONX-QGZVFWFLSA-N 390.553 2.757 0 40 GFAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(Br)cc2)o1 95478213 MHABZMGRXDQPOS-ZDUSSCGKSA-N 397.221 2.949 0 40 GFAB COc1ccc2nc3n(c2c1)[C@@H](CNCc1nc2ccccc2n1C)COC3 96112638 JPHCTJVALBELBL-AWEZNQCLSA-N 377.448 2.793 0 40 GFAB biogenic,in-vitro C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@H](O)C[C@@]12O 139365516 PVAMXWLZJKTXFW-HYECLBOBSA-N 390.520 2.575 0 40 GFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)C2)n1 170613640 ZALXBUPLKWCELC-ZCNNSNEGSA-N 385.556 2.691 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223563417 BNRSPTAKWAAAHS-OLZOCXBDSA-N 384.324 2.870 0 40 GFAB Cc1cccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 224375142 KSRMECWDVKMIMK-UHFFFAOYSA-N 388.489 2.788 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1 225781228 WXLXWTWPHIOVFQ-UHFFFAOYSA-N 396.834 2.505 0 40 GFAB CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1cc(F)ccc1OC 226069966 QECQJOBHRVNSEG-UHFFFAOYSA-N 380.441 2.508 0 40 GFAB CSc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)c1 239593111 DPVARAFWFFYVKC-GOSISDBHSA-N 383.473 2.689 0 40 GFAB C[C@H](OC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)C12CC3CC(CC(C3)C1)C2 245263847 BFYDXDCBJXAKBM-YBKOFPDRSA-N 399.487 2.655 0 40 GFAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1ccccc1Cl)C2)N1CCCC1 247727171 DIEKMJWGCRDWHJ-KRWDZBQOSA-N 378.900 2.712 0 40 GFAB CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257233366 GOZAWWGQRVRETH-JXFKEZNVSA-N 398.507 2.812 0 40 GFAB COCCC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 257244937 INKFNJRBPNHBTD-HUUCEWRRSA-N 376.501 2.555 0 40 GFAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)COC)CC1 257288566 PUSDQUAQNMFOCG-UHFFFAOYSA-N 395.503 2.682 0 40 GFAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)COc3cccnc3)CC2)C1 257337714 YUBWBOXRPJBYSX-IBGZPJMESA-N 381.476 2.747 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 408560304 OJSCWCQZSOELSX-CYBMUJFWSA-N 398.440 2.874 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1Cl 408594839 PKENQXGTDMOULC-CYBMUJFWSA-N 396.896 2.722 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 408758986 VZGFOKONQSNYMD-BHTHQVBYSA-N 395.196 2.514 0 40 GFAB CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1ccc(Cl)cc1Br 530142835 KVYLPIPKMRZNOB-OTSSQURYSA-N 382.663 2.586 0 40 GFAB O=C(Cn1cc(Br)cn1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 572770367 QQZXQZHWUVFKQW-INIZCTEOSA-N 398.688 2.817 0 40 GFAB COCc1nc([C@H]2CCCCN2S(=O)(=O)c2sccc2Cl)n[nH]1 573912642 ZPLNXIQDTKXHRA-SNVBAGLBSA-N 376.891 2.582 0 40 GFAB O=S(=O)(NC[C@@H](OCCO)c1ccsc1)c1ccc(C(F)(F)F)cc1 575621694 REPOJSPDRCDXSO-CQSZACIVSA-N 395.424 2.795 0 40 GFAB O=C(/C=C/c1ccco1)N1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 585292352 LBGQFMPYOZSFHW-SQRWCISFSA-N 390.447 3.098 0 40 GFAB COc1cccc2c1CN(C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1)C2 624390407 BLFCUNUSSYKCOE-FQEVSTJZSA-N 394.519 2.537 0 40 GFAB CC(=O)N1Cc2ccc(S(=O)(=O)N3CCC[C@H]3Cc3ccccc3)cc2C1 659886954 GJLGLUCRIYPZEC-FQEVSTJZSA-N 384.501 2.945 0 40 GFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 681363919 BAXRSAZVUTWFSP-NRFANRHFSA-N 396.462 2.700 0 40 GFAB O=C1C[C@]2(COCCN(Cc3cccc(F)c3)C2)CN1Cc1cncs1 1565542523 LBDXDWCKOXDFBX-LJQANCHMSA-N 375.469 2.533 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(O)n1 1615125357 ZBJWOISVTKAYII-JOCHJYFZSA-N 395.459 2.524 0 40 GFAB O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888890301 QSCIWWZABPPJFO-GFCCVEGCSA-N 395.431 2.722 0 40 GFAB O=C(CCN1CCCCC1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840782 QRVKXYANDKZPHE-HSZRJFAPSA-N 399.535 2.677 0 40 GFAB COc1ccc(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)cc1OC(C)C 2037983830 HWDSYNGMRHPNGD-QFIPXVFZSA-N 390.524 2.942 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)c1 917227 PARTZUFBRFBXNM-UHFFFAOYSA-N 397.460 2.878 0 40 GFAB COc1cccc(C(=O)Nc2nnc(SCC(=O)NC(C)(C)C)s2)c1 1381432 GMVCXCCNUCFRMU-UHFFFAOYSA-N 380.495 2.806 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23013417 BGCFVSWPAXJIFY-UHFFFAOYSA-N 392.459 2.999 0 40 GFAB CCn1ncc(CN(C)C(=O)CCn2nc(C)c(Br)c2C)c1C 2778608 ZTVCPMLSRAPILZ-UHFFFAOYSA-N 382.306 2.836 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1cnn(-c3ccccc3)c1)C2=O 23731016 PCLCPZRQDIZMNL-IIBYNOLFSA-N 381.480 2.762 0 40 GFAB NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 4953829 LWOCUSUIWBIPGG-UHFFFAOYSA-N 387.442 2.824 0 40 GFAB Cc1cc(Br)ccc1NC(=O)COc1ccc(-n2cnnn2)cc1 7251367 PGEPMQQPDZASBH-UHFFFAOYSA-N 388.225 2.751 0 40 GFAB CCOC(=O)COc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1OC 7603614 JMDOMCKTQBDEQG-ZSOIEALJSA-N 394.405 2.546 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)c1 24362375 SMLSPEAVTUEFSQ-UHFFFAOYSA-N 388.489 2.894 0 40 GFAB O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1Cl)N1CCOCC1 12544862 RCVJCJIPRQBNAZ-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB COc1ccccc1C(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 8072692 KCJLVKNBIGDZRU-KRWDZBQOSA-N 381.428 2.512 0 40 GFAB Cc1ccccc1Nc1nn(CN(C)[C@H]2CCS(=O)(=O)C2)c(=S)s1 12594555 VMXYEOOQSZPFBF-LBPRGKRZSA-N 384.552 2.803 0 40 GFAB COc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1 35485486 YGFGHFAQTPWSPB-NRFANRHFSA-N 393.487 2.587 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2cccs2)NC(=O)N3C)cc1 35590351 KNSOBKGTIOHZTF-GOSISDBHSA-N 383.473 2.792 0 40 GFAB CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 113950123 DHOCCGJDSFIOJV-SFHVURJKSA-N 378.469 2.995 0 40 GFAB CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 10027495 BPPAYEPUCUDZPA-UHFFFAOYSA-N 378.538 2.738 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCO)cc2)cc1 58169302 ILAOLZMIZZKKGQ-UHFFFAOYSA-N 390.505 2.897 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1F 12786660 ZCXDUAQTZBOHST-MRXNPFEDSA-N 392.452 2.844 0 40 GFAB Cc1cc(Sc2nc(NCC(C)C)nc(N3CCOCC3)n2)nc(Cl)n1 26960610 SOETVRGGPZQPJJ-UHFFFAOYSA-N 395.920 2.679 0 40 GFAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)OCc1ccccc1 28332659 QNQKTEVWCKMBPR-HXUWFJFHSA-N 396.487 2.999 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 10833718 CQJUZQPDOLKGQT-HNNXBMFYSA-N 396.896 2.869 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cccnc2N2CCCC2)NC(C)=O)cc1 48375455 CRWNDMDLACNMJE-IBGZPJMESA-N 382.464 2.896 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)c(Cl)c1 28208091 VAHBLDUOBJUWHO-UHFFFAOYSA-N 376.906 2.664 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20025887 HDDYFYOSCINLFN-RYUDHWBXSA-N 377.416 2.531 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(C)c1 3482597 FCPDSXZCECMHNK-UHFFFAOYSA-N 392.452 2.716 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 9048379 YZVHSZWJPFERRP-UHFFFAOYSA-N 392.824 2.508 0 40 GFAB C[C@H]1C[C@@H](C)CN(c2nnc(SCC(=O)N(C)C)n2Cc2ccco2)C1 13008280 NDWXEPCHQHQRMS-OKILXGFUSA-N 377.514 2.582 0 40 GFAB CCOc1ccccc1N1C(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C(=O)N=C1O 9009652 SSDCBVOMUXLWJU-QFIPXVFZSA-N 393.443 2.860 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSCC(=O)N[C@@H](C)C(C)C)n1 9118040 JYPZEYNDPHCODW-LBPRGKRZSA-N 390.513 2.600 0 40 GFAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cccc2c1=O 13684746 NGJSSQXGIQFOGT-OAHLLOKOSA-N 395.436 2.809 0 40 GFAB COCCn1c(C)cc(C(=O)COC(=O)c2cncc(Br)c2)c1C 6083563 LZTIDZRIRVZAGY-UHFFFAOYSA-N 395.253 2.949 0 40 GFAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](Cc2ccncc2)C1 96007845 ZYGOVBJBRDVVBL-IAGOWNOFSA-N 375.538 2.810 0 40 GFAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@@H]1Cc2cc(Cl)ccc2O1 39995520 JTCJABUVZRZEKI-HNNXBMFYSA-N 379.869 2.571 0 40 GFAB COCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21 6294780 LRWZYTWKJJNMED-UHFFFAOYSA-N 399.472 2.820 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@H]3c1ccccc1 5350541 BQPBWDFVHXCMDY-IBGZPJMESA-N 378.428 2.908 0 40 GFAB COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1 5396226 ARFZPUVDFSOGPP-HXUWFJFHSA-N 384.363 2.670 0 40 GFAB aggregator CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O 5305347 QQDVZGUGNHZDOH-OAHLLOKOSA-N 375.856 2.682 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccccc2C)cc1 14187252 NQCZESBCFDGWND-UHFFFAOYSA-N 377.462 2.871 0 40 GFAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1(C)C 14188834 OZJVSYFWIMGDRE-QAPCUYQASA-N 394.512 2.897 0 40 GFAB Cn1ccc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc21 96115192 JLYGUQXSFPPNDH-KRWDZBQOSA-N 376.416 2.648 0 40 GFAB biogenic CCOc1ccccc1N1C(=O)C(=O)N(CN2CCC[C@@H](C(F)(F)F)C2)C1=O 14200343 ZAUUVSGDHFJVHA-GFCCVEGCSA-N 399.369 2.612 0 40 GFAB Cc1ccc(Cl)c(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 14370815 DLNFGODGTVQHMZ-UHFFFAOYSA-N 377.853 2.984 0 40 GFAB CCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n[nH]c1=O 6582692 UDJFBUYPYNTESG-UHFFFAOYSA-N 376.269 2.722 0 40 GFAB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6606289 JZDBVIZCNBMYLT-LURJTMIESA-N 382.421 2.908 0 40 GFAB Cc1c(C(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)cnn1-c1ccccc1 6662330 VNIZUKIHFQPKFM-HNNXBMFYSA-N 389.411 2.813 0 40 GFAB CN1CCN(c2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccccc2)CC1 5698883 ZOEQUYLLJICVHU-UHFFFAOYSA-N 394.500 2.728 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccccc1 5703881 BSXBSRJAARPYOW-UHFFFAOYSA-N 377.491 2.597 0 40 GFAB Cc1cc(NC(=O)Cn2nc(O)c3ccccc3c2=O)ccc1Br 5827138 KFGUNWSFOFMKAL-UHFFFAOYSA-N 388.221 2.812 0 40 GFAB C[C@@H](COCC(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 67278861 WYMBDAYLILVTQZ-QWRGUYRKSA-N 378.778 2.777 0 40 GFAB O=C(CNC(=O)c1cc2ccccc2oc1=O)Nc1ccc(F)c(F)c1F 15554329 LYQCBHPYESJGFT-UHFFFAOYSA-N 376.290 2.579 0 40 GFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(OC)c1OC 7513007 NYJRAXNBSKQKEW-GZBFAFLISA-N 379.453 2.810 0 40 GFAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 9582906 URJOHLOSVZMBGI-GFCCVEGCSA-N 383.433 2.569 0 40 GFAB Cc1ccc(C)c(NC(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)c1 16320803 OQBWWTOBTIJETP-UHFFFAOYSA-N 393.472 2.929 0 40 GFAB COc1ccc(CN2CCC(CNC(=O)c3ccc(NC(N)=O)cc3)CC2)cc1 68801250 RWUGNGQNDJMOST-UHFFFAOYSA-N 396.491 2.828 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)N1CC[C@H]2CCCC[C@H]2C1 8339912 LKELSVOUYLUICZ-KGLIPLIRSA-N 377.539 2.914 0 40 GFAB CN(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 25245903 ZEBBEVAQCQUQOQ-UHFFFAOYSA-N 390.958 2.753 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 8509648 XGPWLYGLFFGUFU-UHFFFAOYSA-N 381.425 2.816 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)C(C)(C)C)c(C)c1 17778532 IPZGPHQTJJWIDX-XLAORIBOSA-N 379.460 2.633 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)N(Cc2cccc(O)c2)C2CC2)no1 84120016 YWZZHFHJPXHGDD-UHFFFAOYSA-N 375.450 2.552 0 40 GFAB CCOc1cc2c(cc1CNS(=O)(=O)c1cccc(N(C)C)c1)O[C@@H](C)C2 97166189 HKZHFRUGDUPHQT-AWEZNQCLSA-N 390.505 2.953 0 40 GFAB C[C@@H](NCCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)OC(C)(C)C 95996239 MJDPOLMLHCBTDE-HZPDHXFCSA-N 377.533 2.925 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(C)cc1 20636713 PGVANTOMROFXNR-UXHICEINSA-N 391.471 2.760 0 40 GFAB O=C(N[C@H]1CCn2ccnc2C1)N1CCN(Cc2cccc3ccccc23)CC1 547630771 LPVUBUBREFSKSL-FQEVSTJZSA-N 389.503 2.879 0 40 GFAB COc1ccc(-n2ccnc(NCCc3cc(OC)ccc3OC)c2=O)cc1 6915094 GQYUPBYISPBQGG-UHFFFAOYSA-N 381.432 2.913 0 40 GFAB O=C(C1CC1)N1CCN(C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1 522879380 JITMMKSZOOLIOS-JOCHJYFZSA-N 389.499 2.871 0 40 GFAB O=C(c1csc(Cc2ccccc2F)n1)N1CCC(c2nc(O)n[nH]2)CC1 552508511 NFHAPNUOYMJESN-UHFFFAOYSA-N 387.440 2.717 0 40 GFAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)NCCCCCC(=O)O)cc3)C(=O)[C@@H]2C1 408680948 IOVRTTNFMFXQQT-ZWKOTPCHSA-N 398.459 2.907 0 40 GFAB CCn1nc(C)c(S(=O)(=O)NCC[C@H](C)n2nc(C)c(Cl)c2C)c1C 36614561 PNZPUEVRBYHMPG-JTQLQIEISA-N 387.937 2.916 0 40 GFAB CN1C(=O)C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1ccc(F)cc1 72242232 DQBXAFUCDVOAHI-LAUBAEHRSA-N 399.441 2.833 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 35597450 IFPYCMLJMUHHQZ-UHFFFAOYSA-N 378.328 2.681 0 40 GFAB O=C(c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1)N1CCCC1 25373390 KKDDQIVVZHYDSS-UHFFFAOYSA-N 384.501 2.890 0 40 GFAB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NC(C)(C)C)n2)C1 225894613 PQDBTEJGZUBTAF-CQSZACIVSA-N 392.573 2.634 0 40 GFAB CCSc1nnc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)s1 223678214 AAXSJSVHYIQMDN-UHFFFAOYSA-N 393.899 2.891 0 40 GFAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)c4cccs4)nc3s2)cc1 41078157 PLEFVVWCBDKEDZ-UHFFFAOYSA-N 398.469 2.818 0 40 GFAB Cc1nc2ccccc2n1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 41953626 XRYPTTIWRPPTHI-OAQYLSRUSA-N 396.466 2.674 0 40 GFAB CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 40176172 KVPAGCHBURMILH-UHFFFAOYSA-N 390.490 2.592 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2C)c1 225408458 DLYDCALQTKGEBO-UHFFFAOYSA-N 378.519 2.566 0 40 GFAB Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cccc21 85875242 WXMXECQEFMCYRE-KRWDZBQOSA-N 376.416 2.648 0 40 GFAB biogenic COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 225623953 REVHRCQUIUKCGX-ZDUSSCGKSA-N 393.461 2.671 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CC[C@@]2(CCCN(CC3CCOCC3)C2)C1 96215462 HTVXCKSYSNUKKZ-HXUWFJFHSA-N 396.528 2.729 0 40 GFAB CCc1ccc(NC(=O)N2CCN(c3cnnc(N4CCCC4)c3)CC2)cc1 96121061 VSHAUNVAEBUXSD-UHFFFAOYSA-N 380.496 2.993 0 40 GFAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96052724 FRRCGAPSTAXDHH-KRWDZBQOSA-N 378.476 2.616 0 40 GFAB COc1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)cc1F 96080850 WMXUYNRALCOTFV-CALCHBBNSA-N 390.480 2.587 0 40 GFAB CN([C@H](Cc1ccc(Br)cc1)C(=O)O)S(=O)(=O)c1ccccc1 260679408 LWRUCLALOGDSNA-OAHLLOKOSA-N 398.278 2.766 0 40 GFAB COc1ccc(CN2CCCS(=O)(=O)CC2)cc1OCc1ccccc1 378340655 IBCZWTXXMLFUQP-UHFFFAOYSA-N 375.490 2.895 0 40 GFAB O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 96119186 KGAMQBGQZYYNJF-UHFFFAOYSA-N 399.875 2.672 0 40 GFAB O=C(NCc1noc(C2CC2)n1)N1CCOc2cc(Br)ccc2C1 660967925 LTFBDGLWRXWIPE-UHFFFAOYSA-N 393.241 2.814 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1C 390831019 PCQHCKUPQQOSLJ-HXUWFJFHSA-N 387.501 2.935 0 40 GFAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3cccs3)[C@@H]3OCC[C@H]32)cc1 585109322 ITOUIXXCKWZBTF-NSHGMRRFSA-N 384.501 2.531 0 40 GFAB Cc1cc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)nc(C)n1 1775996012 QRZIOCVWXFBLKR-CYBMUJFWSA-N 378.274 2.941 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)COc2ccc(OC)cc2)CC1 40089830 NMNMTZHIQAHQOM-UHFFFAOYSA-N 397.519 2.528 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1I)[C@H]1C=C[C@@H]2C12CC2 5101849 KXTANTNNZLNZLA-DJBIQUGXSA-N 391.208 2.993 0 40 GFAB CCCCOC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCCCC 5552580 VDDKBRLGEMPLKQ-KRWDZBQOSA-N 399.509 2.719 0 40 GFAB COc1ccc(C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 12113922 VYBZUAXCXPVULF-UHFFFAOYSA-N 382.460 2.920 0 40 GFAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 12143323 KVSHXUFXMJDBMK-GFCCVEGCSA-N 386.839 2.937 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)NCc3ccc(F)cc3)c(=O)n12 12181895 DYZHMFWVQDUPFV-UHFFFAOYSA-N 393.422 2.623 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(F)cc1 13056918 ZTWXKBSJOODYGZ-UHFFFAOYSA-N 387.411 2.511 0 40 GFAB CCN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1cc(F)ccc1OC 13581168 LWLGILUCUHITGO-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15243422 YNCBSKCDIVCVAR-UHFFFAOYSA-N 388.445 2.573 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(Cl)cc1 15718015 KUSPTAFXZQFCJA-UHFFFAOYSA-N 378.881 2.722 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1nccn1C)Cc1ccccc1O2 19016353 DILMFLRQGLMAJF-UHFFFAOYSA-N 396.491 2.615 0 40 GFAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)c2cc4ccccc4o2)C3)C1 19016682 YTVBCEJCKIWKEC-INIZCTEOSA-N 390.443 2.757 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 19375445 NMJIXCRPRKUOIN-WMZOPIPTSA-N 376.416 2.762 0 40 GFAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1 19463287 FZSFXAWJVYORPU-IIDMSEBBSA-N 380.496 2.797 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529533 GSMHWGACMCKVET-YWNPBTLJSA-N 392.455 2.767 0 40 GFAB COCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 19694583 VDEAEXWFLVZZHP-MRXNPFEDSA-N 384.480 2.571 0 40 GFAB C/C(=C\[C@H](C)C[C@H](C)c1ccc(C)cc1/C=C/CO)C(=O)N[C@@H](CO)C(=O)O 31163109 OLHMPWBLHDQGDT-RNWIUYKTSA-N 389.492 2.638 0 40 GFAB biogenic,in-vitro Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3cccnc3Cl)cnc21 3331815 MZEGQBZFPKCAER-UHFFFAOYSA-N 394.822 2.578 0 40 GFAB CSc1ncccc1C(=O)N1CCC(N(C)c2ncc(Cl)cn2)CC1 1848808980 XULYGJUGZFWNRA-UHFFFAOYSA-N 377.901 2.988 0 40 GFAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1 1888929010 CQCCUMGBCNGGTP-UHFFFAOYSA-N 379.451 2.903 0 40 GFAB O=S1(=O)N=C(N2CCCN(c3ccnc4ccccc34)CC2)c2ccccc21 1888953157 COYGJVNEBFFWAA-UHFFFAOYSA-N 392.484 2.896 0 40 GFAB Cc1nc(N2CC(Cn3cc(Br)cn3)C2)cc(C(F)(F)F)n1 1889095481 LAHYWHMIWMPYTH-UHFFFAOYSA-N 376.180 2.899 0 40 GFAB O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCC2)s1 4087984 WMFCDEVCJQXEST-UHFFFAOYSA-N 380.470 2.573 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1Cl 4940799 UJEIOJZWJRUAAM-NSHDSACASA-N 378.837 2.820 0 40 GFAB Cc1ccc(N2CCn3c2nn(Cc2c(F)cccc2Cl)c(=O)c3=O)cc1 8849882 VMTDEHBNGIBNSD-UHFFFAOYSA-N 386.814 2.706 0 40 GFAB Cc1csc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)n1 9744050 INXRXXAHCNLSQJ-UHFFFAOYSA-N 386.528 2.954 0 40 GFAB COc1ccccc1-c1ccc(=O)n(C2CN(c3nnc(C4CC4)s3)C2)n1 1775974085 BHTDOCLODIERRH-UHFFFAOYSA-N 381.461 2.709 0 40 GFAB COc1ccccc1S(=O)(=O)N1CCC[C@H](COc2cccc(C)n2)C1 1775969484 VDWOASNWQWLWFB-INIZCTEOSA-N 376.478 2.878 0 40 GFAB COc1ccccc1NC(=O)C(=O)NCc1ccc([C@H](O)c2ccco2)s1 206687237 AOTMSGCCDZHPHY-QGZVFWFLSA-N 386.429 2.686 0 40 GFAB Cc1nc(-c2ccc(N3CCN(C(=O)NCc4cccs4)CC3)nc2)no1 42380624 ZSFOMRZZGKXWFL-UHFFFAOYSA-N 384.465 2.533 0 40 GFAB O=C(NCc1ccc(-c2ccoc2)o1)C(=O)Nc1cccc(N2CCCC2=O)c1 575610071 JYQCVGOJJNCFDE-UHFFFAOYSA-N 393.399 2.921 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCCCC2)C1 40082676 ZTNCTKCYQUSELJ-QGZVFWFLSA-N 378.538 2.676 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCCC[C@H]2C)cc1 20016801 QCTFMDZMHKQBFU-QGZVFWFLSA-N 395.569 2.711 0 40 GFAB CCn1c(=O)c2ccccc2n2c(COc3cc(OC)ccc3C(C)=O)nnc12 31556759 XJWHJVQPQMGVTB-UHFFFAOYSA-N 392.415 2.854 0 40 GFAB CCOC(=O)c1sc2ncn(C[C@H](O)c3cccc(F)c3)c(=O)c2c1C 51265576 DEOUOWZJJVJMHL-ZDUSSCGKSA-N 376.409 2.816 0 40 GFAB Cc1nc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)sc1C 32093260 CJPJETKGKONEFW-UHFFFAOYSA-N 386.477 2.962 0 40 GFAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)ccc1O 20725581 VVEVBXFGMJITAG-LLVKDONJSA-N 391.391 2.685 0 40 GFAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1=O 32636524 JYVFPMMITZFEHC-HNNXBMFYSA-N 375.759 2.600 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2c(F)cccc2Cl)s1 32865711 WSSIYDSTVMPXFO-UHFFFAOYSA-N 376.862 2.721 0 40 GFAB CCOc1cc2c(cc1COC(=O)Cc1n[nH]c(=O)c3ccccc13)O[C@@H](C)C2 32848661 YOPMWIJFPFVASW-ZDUSSCGKSA-N 394.427 2.931 0 40 GFAB OCCNc1nc2ccccc2n1C[C@H](O)COCc1ccc(Cl)cc1 33014961 IZAAYFHULTWFEF-INIZCTEOSA-N 375.856 2.672 0 40 GFAB Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 12390164 AIFAGOADDPKONX-UHFFFAOYSA-N 388.537 2.569 0 40 GFAB COc1ccc(OC)c(-c2nnc(SCC(=O)Nc3nccs3)o2)c1 2720453 MODPYSNVFDZWSC-UHFFFAOYSA-N 378.435 2.941 0 40 GFAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 23197439 KYCZMENWYDLUMP-AQUQNQQYSA-N 386.496 2.574 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104677254 YYHNDTIBWWZPRM-LTIDMASMSA-N 397.475 2.857 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C 4897737 DCQOHLFHWOQBPJ-BETUJISGSA-N 392.554 2.779 0 40 GFAB COc1cccc(NC(=O)CN2CCC(NC(=O)c3cccc(OC)c3)CC2)c1 4908860 YNYLBGHVGHYNLV-UHFFFAOYSA-N 397.475 2.537 0 40 GFAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)c1ccccc1 6763274 LZVRWSHDQFBDRO-HNNXBMFYSA-N 387.457 2.899 0 40 GFAB CCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10325321 PTOPKWSVTXXUJP-NWDGAFQWSA-N 376.906 2.808 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1 12560317 PBKAFLLVRGDKJD-GOSISDBHSA-N 382.851 2.709 0 40 GFAB CCC(CC)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 44187398 KQKDZRPESBPBBX-UHFFFAOYSA-N 388.899 2.971 0 40 GFAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 57332869 OPZBDAKNXATTCF-GFCCVEGCSA-N 379.844 2.702 0 40 GFAB CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 57996017 RZNNSVXJYMFEHP-CQSZACIVSA-N 380.423 2.865 0 40 GFAB NC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 3217387 RTDZCPPGKDVQBB-UHFFFAOYSA-N 380.473 2.938 0 40 GFAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(C)=O)CC1 21577549 YYJVPQTYAJWSFR-UHFFFAOYSA-N 382.917 2.622 0 40 GFAB COc1ccc(CCNC(=O)CNc2ccc3c(c2)OC(F)(F)O3)cc1OC 48235202 DQKZJHHOAJIQDY-UHFFFAOYSA-N 394.374 2.796 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 48234149 BWIODRRHFVWNBP-SFHVURJKSA-N 387.461 2.505 0 40 GFAB C[C@H](SCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1Cl 36394172 QDOYFYDFCHKZFD-LBPRGKRZSA-N 392.912 2.972 0 40 GFAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cccnc1N1CCOCC1 36394223 QQWMSRDUULHEQK-UHFFFAOYSA-N 390.823 2.700 0 40 GFAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 48354839 DTSAGQJJDRURNB-DNVCBOLYSA-N 398.956 2.740 0 40 GFAB COc1cc(CNC(=O)CCNC(=O)[C@H]2C[C@H]2C)ccc1OCCC(C)C 46724510 ORZDVKGPKIRMCK-WBVHZDCISA-N 376.497 2.899 0 40 GFAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)O[C@H](C)C(=O)NC3CC3)c12 12833852 NIUYRUAJWOGCJP-LLVKDONJSA-N 384.461 2.829 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1N 3443175 YTFDANQQHCTUQO-UHFFFAOYSA-N 376.796 2.894 0 40 GFAB CC(=O)N[C@H](CC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 3426946 GHQADNJNJKXGSJ-NHCUHLMSSA-N 394.471 2.991 0 40 GFAB COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20490912 LWPBODUYSKVWDK-UHFFFAOYSA-N 388.489 2.551 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H](CC(=O)O)c1ccccc1Cl 13173296 AZJUGIPRLPAATO-AWEZNQCLSA-N 381.837 2.689 0 40 GFAB CC(C)c1cccc(C(C)C)c1NC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 9256346 XNANNCOHACKQLS-UHFFFAOYSA-N 388.493 2.842 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)NCc1ccc(NC(=O)C2CC2)cc1 13986856 XEDCDWGFQDNULS-UHFFFAOYSA-N 395.484 2.790 0 40 GFAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC(C)C)CC1 4488080 DGSBQEAELVRFEG-UHFFFAOYSA-N 388.917 2.664 0 40 GFAB COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 4739746 JFWAVIAXKPMKTM-ZSOIEALJSA-N 387.369 2.854 0 40 GFAB O=C(Nc1ccccc1O)C1CCN(Cc2nc(O)c3sccc3n2)CC1 15043407 GGSLWBWQZAOWFF-UHFFFAOYSA-N 384.461 2.953 0 40 GFAB CCOc1cccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)Nc3ncnn32)c1 4987117 FLLBLHUPWKGHTC-AEFFLSMTSA-N 384.436 2.688 0 40 GFAB COc1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)c(OC)c1 67335510 ARWBFBDHNQCQFQ-UHFFFAOYSA-N 398.444 2.738 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1 15636398 SIZFEXRBFNKEIC-UHFFFAOYSA-N 379.507 2.915 0 40 GFAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 7781117 HZCFKFSWSMBKKF-INIZCTEOSA-N 396.871 2.949 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)N1CCc2ccccc21 7990130 AUKWXKXYSPQCCP-UHFFFAOYSA-N 395.411 2.553 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2cccs2)no1 8134517 SVIKJLKHAJLAGK-UHFFFAOYSA-N 395.444 2.626 0 40 GFAB CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 8129885 NHPWYFIVGVXRTF-OAQYLSRUSA-N 395.459 2.939 0 40 GFAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)NC[C@H]3CCCO3)c(=O)c12 17130301 PPCCXHIJRGKRPQ-OAHLLOKOSA-N 383.473 2.729 0 40 GFAB COCCN(Cc1ccccc1)C(=O)CSc1nc2sccc2c(=O)[nH]1 8456930 QQVRMLDDCZSKDC-UHFFFAOYSA-N 389.502 2.752 0 40 GFAB FC(F)(F)c1nnc2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)nn12 118492919 UDXAEEPXFHIWPW-GJZGRUSLSA-N 388.397 2.711 0 40 GFAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc(OC)c1OC 95450532 FRVODMLLTISKQW-KIUWMYQTSA-N 376.497 2.914 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)CC1 20487480 PXJLTAOSDXJUDS-CYBMUJFWSA-N 381.494 2.986 0 40 GFAB CC(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 72296371 OREKBYCWNCTTCY-LBPRGKRZSA-N 382.302 2.685 0 40 GFAB CC(C)(CO)[C@H](CNC(=O)CNC(=O)OCc1ccccc1)c1ccccc1 89761816 JAGSWUUPTZHELV-LJQANCHMSA-N 384.476 2.831 0 40 GFAB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)C(=O)Nc1ccccc1 408563178 UODFWVLCKIILQJ-UHFFFAOYSA-N 377.400 2.881 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)N1CCOCC1 408606910 PIGQKTZUNYEDRI-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 408559822 ZFFTXNRDBCPPDX-UHFFFAOYSA-N 378.406 2.827 0 40 GFAB Cc1noc2ncc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3)cc12 510628049 MMXJPYDZMQNOPY-AWEZNQCLSA-N 391.424 2.902 0 40 GFAB CSc1ncccc1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 38692660 QCQKUFKKBVIIIE-UHFFFAOYSA-N 377.491 2.768 0 40 GFAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c[nH]1 521396881 HKGDVDJFOVTRCE-UHFFFAOYSA-N 399.476 2.558 0 40 GFAB COc1ccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)c(OC)c1 524733217 GSPRLCOELGHJBF-UHFFFAOYSA-N 387.465 2.996 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32455732 JLFYLDRQFMLVJU-LBPRGKRZSA-N 391.269 2.791 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)(C)O)C2 34406449 HXFDWGKUUFPMRG-CWMQWSEUSA-N 397.515 2.686 0 40 GFAB biogenic,in-vitro Cn1cc(/C=C/C(=O)N[C@H](c2ccccc2)C2CCCCC2)c(=O)n(C)c1=O 32379903 MUTZTZXDAVGNDX-FBRRREGBSA-N 381.476 2.535 0 40 GFAB Cc1cc(C=O)c(C)n1NC(=O)c1ccc(I)c(O)c1 408566461 GOIAHOZXSHLLOM-UHFFFAOYSA-N 384.173 2.612 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(CCOc4cccc(C)c4)C3)ncc2C1 72390877 DQYYJNVVXCENJI-LJQANCHMSA-N 394.519 2.948 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218598380 NHVPZIMWEBWGRF-WSTZPKSXSA-N 391.464 2.582 0 40 GFAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217584460 DEMWZEPYBCHWHT-ZDUSSCGKSA-N 384.498 2.833 0 40 GFAB O=C(c1cccnc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 72346673 OZPWGCLRWOBCMA-KRWDZBQOSA-N 395.434 2.695 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCc2c(OC)cccc2OC)CC1 225995727 LYUWKPRSTLFNTJ-UHFFFAOYSA-N 384.476 2.994 0 40 GFAB C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225782810 ZMGYDKZHFHSHJJ-AWEZNQCLSA-N 393.534 2.836 0 40 GFAB CCN(CC(=O)N(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 226070696 XCDDAQXDHVAVJW-UHFFFAOYSA-N 394.468 2.816 0 40 GFAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223303100 FUPIZKCEEWRMFZ-KFKAGJAMSA-N 386.521 2.681 0 40 GFAB CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C/C=C/c3ccc(F)cc3)C2)n1 583622022 ZMGXDWOQFMZWSS-PXPVJAHISA-N 385.487 2.607 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(C(C)=O)cc1)C=C2 96115815 AAGDAVXHKDEDQN-UHFFFAOYSA-N 394.427 2.901 0 40 GFAB biogenic Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237912 KIHQVYQATMQUST-JOCHJYFZSA-N 381.451 2.697 0 40 GFAB N[C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 582229154 MPBSOWSHDHSZLE-QUCCMNQESA-N 386.496 2.564 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 25590154 GJHYTLNXSNQJLR-UHFFFAOYSA-N 376.456 2.920 0 40 GFAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@@H]2CCCCN2S(C)(=O)=O)n1 257226928 FMTWMKXMZCRBQS-KRWDZBQOSA-N 375.450 2.637 0 40 GFAB C[S@@](=O)c1ccc(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1 1123650109 YMAPLIHSWWSVGI-IYJVBRSBSA-N 380.416 2.505 0 40 GFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)s1 654640092 ZBBOTJNNIJRTAR-NEPJUHHUSA-N 378.502 2.886 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NC[C@@](O)(c1ccoc1)c1ccco1 390826357 IYOSIFSGBMUAKO-QGZVFWFLSA-N 383.372 2.506 0 40 GFAB COc1cc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OCCO 585262501 GYWGMHPZQFWVLI-LJQANCHMSA-N 389.492 2.555 0 40 GFAB O=C(CN1CC[C@]12CCCN(C(=O)c1nccc3ccccc13)C2)N1CCCC1 585102356 YBAARWKVSMFATI-QHCPKHFHSA-N 392.503 2.538 0 40 GFAB O[C@@H]1[C@@H](N2CCN(c3ncccn3)CC2)CCC[C@H]1Oc1ccc(Cl)cc1 585289551 JTDOJHAXMMBOMS-IPMKNSEASA-N 388.899 2.613 0 40 GFAB CN1CCN(C(=O)N2CCC(COc3cccc(C(F)(F)F)n3)CC2)CC1 1775995316 NQVHZMNVGXPDIS-UHFFFAOYSA-N 386.418 2.559 0 40 GFAB CSCc1cccnc1C(=O)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 602200979 CQVGVHLAKAZTSL-CYBMUJFWSA-N 378.519 2.882 0 40 GFAB O=C(c1nccs1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615120313 KBBZQSFHAHWBET-LJQANCHMSA-N 389.452 2.711 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C(N)=O)c1ccccc1 11404129 LXGDUCHMUPZSSS-IRXDYDNUSA-N 388.851 2.864 0 40 GFAB CN(CCO)Cc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O 12186491 HBBXPGROAJQROC-UHFFFAOYSA-N 392.434 2.944 0 40 GFAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(Br)cc1 12655098 GKXVSGQRTDHDNW-UHFFFAOYSA-N 388.221 2.981 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)cc1 13673149 OXSITNCJXNYRIE-UHFFFAOYSA-N 395.912 2.741 0 40 GFAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)c1ccc2c(c1)CCCC2 19346774 XFRJHBXKCGFUCE-LJQANCHMSA-N 389.503 2.817 0 40 GFAB O=C1CCC[C@]2(CN(C(=O)Cc3ccccn3)C[C@H]2c2ccc(F)c(F)c2)N1 19401260 WWFJWCSBAXANIH-HRAATJIYSA-N 385.414 2.567 0 40 GFAB CCc1nccn1CC1(O)CCN(C(=O)c2cc3cc(OC)ccc3n2C)CC1 19523617 VQIRLVSJVPDCQN-UHFFFAOYSA-N 396.491 2.613 0 40 GFAB CN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2CCc2ccccc2)CC1 19589863 CAUZJECYGWOBLA-FQEVSTJZSA-N 396.926 2.906 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 19654522 JGJNGTGAODDZHX-INIZCTEOSA-N 380.496 2.806 0 40 GFAB CCOc1ccc([C@H]2CCCN2C(=O)CNc2ccc3nnc(C)n3n2)cc1 19719227 OETATNQWNMLKTC-QGZVFWFLSA-N 380.452 2.607 0 40 GFAB CCN(CC)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182329 AKXCEIZBUQFRHY-INIZCTEOSA-N 398.463 2.565 0 40 GFAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1O2 12275027 CGFWOONUYCWFTO-HTAPYJJXSA-N 394.475 2.810 0 40 GFAB Cc1ccccc1CC(=O)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13227648 XKIRBHZLTIQRSW-QGZVFWFLSA-N 389.459 2.896 0 40 GFAB CC(C)Cn1c(SCC(=O)N2CCCC2=O)nc2cc(Cl)ccc2c1=O 3546250 MENPFJWRWPQEIN-UHFFFAOYSA-N 393.896 2.947 0 40 GFAB CC[C@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1 6870740 VKUPNTSSCVAYEK-NRFANRHFSA-N 394.519 2.540 0 40 GFAB O=C(CN(c1ccncc1)S(=O)(=O)c1ccccc1)NCc1ccccc1F 10537432 MSJNFLLISYDOFM-UHFFFAOYSA-N 399.447 2.732 0 40 GFAB CCc1sc(C(=O)NCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C 24443810 ILOYBLDXYNYCLS-KRWDZBQOSA-N 385.533 2.864 0 40 GFAB CCN1CCN([C@H](c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1 22458972 UFBMLJQSQCEAMJ-OAHLLOKOSA-N 375.473 2.671 0 40 GFAB O=C(c1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382452 MZIINBINWINXHN-IAGOWNOFSA-N 396.418 2.643 0 40 GFAB O=C([C@H]1CCCN(CC(=O)N2CCc3ccccc32)C1)N1CCC(F)(F)CC1 2298065289 JLLGSVYJEHSINH-KRWDZBQOSA-N 391.462 2.545 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C 19556163 DZQMUBHFEAZSIZ-ORAYPTAESA-N 382.512 2.559 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCOCC2)cc1 3137157 ZCCXNHVYUBXBJT-UHFFFAOYSA-N 384.461 2.576 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccoc2C(=O)OC)cc1 40040303 OZJPNHGNPFDDRV-AWEZNQCLSA-N 394.493 2.948 0 40 GFAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cccnc1-n1cncn1 40094372 OKYWVJRXVVNYPR-UHFFFAOYSA-N 390.378 2.919 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2cnc3ccc(C)cc3c2=O)c1 40116994 RISGLHZUJCORHN-AWEZNQCLSA-N 381.432 2.600 0 40 GFAB O=c1[nH]c2ccccc2/c(=N\S(=O)(=O)c2ccccc2)n1-c1ccccc1 100438314 QTNZCPJNBITRIJ-ZBJSNUHESA-N 377.425 2.608 0 40 GFAB COc1ccc(-c2noc(CCCC(=O)N3CCC(N4CC=CC4)CC3)n2)cc1 101448739 PAVNSBUOLRBSDF-UHFFFAOYSA-N 396.491 2.931 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)ccc21 32722092 ITVQZYUSDBEEBR-QFIPXVFZSA-N 393.487 2.918 0 40 GFAB COC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc(C)c1C 102381805 DLSBLAMDKVBBPA-STQMWFEESA-N 392.477 2.655 0 40 GFAB COc1ccc(OC)c2c1CN(Cn1c(=O)oc3ccc(Cl)cc31)C[C@H]2O 32923165 XLRMXYGSOBXNIZ-CQSZACIVSA-N 390.823 2.772 0 40 GFAB NC(=O)c1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 22020459 JFLMQBHIMPIEKX-UHFFFAOYSA-N 384.413 2.605 0 40 GFAB C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 103504092 DWVIZDGTVPCQLM-ZDUSSCGKSA-N 398.413 2.720 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 3196553 AEBBEYFAZIZFSB-UHFFFAOYSA-N 395.506 2.937 0 40 GFAB CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 79108225 IFHGMOVPTPDNLH-OAHLLOKOSA-N 394.518 2.644 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCC2=CCCCC2)c1 23235397 PEBJPTVVCVUHJS-UHFFFAOYSA-N 378.494 2.564 0 40 GFAB COc1cc(OC)cc([C@H](NC(=O)c2cc(C3CC3)on2)c2nccn2C)c1 23200241 HVWDMQBPPJPYRN-SFHVURJKSA-N 382.420 2.822 0 40 GFAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(Cl)c1 23977788 FIFYXVFBBDFNMX-SFHVURJKSA-N 398.887 2.831 0 40 GFAB COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCC(N)=O 7537924 IGQKIYVOHLODCS-UHFFFAOYSA-N 393.281 2.920 0 40 GFAB CCC(=O)c1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 8191051 CTBSKIYSOQAELZ-UHFFFAOYSA-N 384.384 2.855 0 40 GFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 25045363 DHRRYBGWEXUNCC-FGZHOGPDSA-N 378.520 2.835 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(Br)cc1F 53813970 GYTOTOJGKAIGDE-UHFFFAOYSA-N 385.258 2.798 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCc4ccccc43)CC2=O)cc1 3289200 FTWKRPQFXOVUTF-GOSISDBHSA-N 392.455 2.734 0 40 GFAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 57174154 KCYVOYSWLKQCRR-OAHLLOKOSA-N 378.476 2.946 0 40 GFAB CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)NC2CCCC2)s1 12621557 LJVAZAPDPQACPZ-SNVBAGLBSA-N 388.584 2.696 0 40 GFAB CCN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 100116057 UNHQNJAZFOTXBR-ATTMEURXSA-N 396.535 2.529 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccccc1C)S(C)(=O)=O 22326982 PSXVSCMCRNQHTI-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 10008549 XDPYMPNXONYQRW-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10359238 JUGYNJLGQVOGFK-UHFFFAOYSA-N 389.477 2.840 0 40 GFAB O=S(=O)(NCc1ccccc1OC(F)F)c1ccc2c(c1)OCCCO2 12807502 YFVPEEOJTNIYPN-UHFFFAOYSA-N 385.388 2.928 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3cccc(C)c3C)CC2=O)cc1 12875930 KOMVWKODOBKWIO-LJQANCHMSA-N 393.487 2.715 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC2CCCCCCC2)cc1 28209670 PLGRYZADIMTTKF-SFHVURJKSA-N 392.521 2.904 0 40 GFAB NC(=O)COC(=O)c1ccccc1SCC(=O)N[C@H]1CCCc2ccccc21 2658728 MGMXTSVWWYXTFV-KRWDZBQOSA-N 398.484 2.615 0 40 GFAB O=C(COC(=O)c1ccccc1Br)NCc1ccc2c(c1)OCO2 3506994 UHFYUGYYXFIFPY-UHFFFAOYSA-N 392.205 2.651 0 40 GFAB CCC[C@H](C)NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3597737 ONBUWCHQKABUQZ-HNNXBMFYSA-N 393.443 2.847 0 40 GFAB CC(C)CCNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12971441 MYVDIZJCIGSKNP-UHFFFAOYSA-N 390.292 2.864 0 40 GFAB CN(C)CCNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306134228 NGGQXYMIUCTGEN-UHFFFAOYSA-N 388.475 2.538 0 40 GFAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 13843978 RIZWCUIQUOSEJP-SNVBAGLBSA-N 380.857 2.720 0 40 GFAB CCOC(=O)C1=C(CN2CCCc3cc(C(F)(F)F)ccc32)NC(=O)NC1 65474396 SZVAQLRIYDIDBU-UHFFFAOYSA-N 383.370 2.588 0 40 GFAB O=C(COc1ccccc1)NC1CCC(NC(=O)COc2ccccc2)CC1 6339923 GVOWINUBHXOGIY-UHFFFAOYSA-N 382.460 2.688 0 40 GFAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 6361995 YJOIZTKQIPCUMF-CQSZACIVSA-N 394.431 2.584 0 40 GFAB COC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(CO)n1)C(=O)O 65742930 PDUAYPFMBRYSNN-IBGZPJMESA-N 394.427 2.700 0 40 GFAB in-vitro CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(C)cc3C)c(=O)c2=O)cc1 67256016 YMKTXOFBLCKVEB-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)c1ccccn1 8024630 WWNWTODFPZXPKH-HNNXBMFYSA-N 399.472 2.953 0 40 GFAB O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ccccc1O 95393314 NZAKWCQRHSIFHY-UHFFFAOYSA-N 384.251 2.708 0 40 GFAB O=C(Nn1c(S)nc2ccccc2c1=O)c1ccccc1Br 17076903 SQSDOEXWYRPGPY-UHFFFAOYSA-N 376.235 2.832 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1N1CCOCC1 8726035 MUXSWYJGGLSAQG-UHFFFAOYSA-N 379.460 2.831 0 40 GFAB C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 8777333 RTPWCGBKSYUQNX-KBXCAEBGSA-N 384.501 2.704 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccc(C(C)C)cc2)c2ccccc2O1 9711582 ZSCYKJIVUUZHRU-OAQYLSRUSA-N 395.503 2.782 0 40 GFAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)C1=O 409228177 VJJGSACVVNBICG-KPKJPENVSA-N 382.800 2.505 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408708285 XGKBSPAIRGXWMN-HXUWFJFHSA-N 379.504 2.535 0 40 GFAB CN(c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1)S(C)(=O)=O 22230579 MQTCRJWTFLTCTN-UHFFFAOYSA-N 386.832 2.892 0 40 GFAB NC(=O)C1CCN(C(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)CC1 56907766 KTQDAQPJMPCLJP-UHFFFAOYSA-N 385.489 2.937 0 40 GFAB CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)cc1 22522945 POQYWZVIXSIANL-IBGZPJMESA-N 389.521 2.875 0 40 GFAB CN1CCN(C(=O)Nc2ccc3ccnc(O)c3c2)C[C@@H]1c1nc(C2CC2)no1 515640683 OCPCAHZIIYZQCH-MRXNPFEDSA-N 394.435 2.721 0 40 GFAB Cc1cc(=O)c(OCC(=O)N[C@H]2CCCc3c2[nH]c2ccc(F)cc32)cn1C 524734455 GUQQZFDEPWIUMK-KRWDZBQOSA-N 383.423 2.887 0 40 GFAB Cc1noc(C2(NC(=O)Nc3cc(-c4ccnn4C)ccc3C)CCOCC2)n1 529097615 SNXJWHOVRCFUKO-UHFFFAOYSA-N 396.451 2.914 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(-c3noc(C)n3)c2)cc1 33013318 TWLKFMMSTYKLBI-UHFFFAOYSA-N 375.406 2.863 0 40 GFAB COC(=O)CN1[C@H]2CC[C@@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 72337689 PWRQUZAYRRUXMC-KBXCAEBGSA-N 378.432 2.640 0 40 GFAB O=C(CN1CCOCC1)Nc1ccc2c(c1)[C@@H]1Oc3ccccc3C[C@H]1CO2 31870848 LNSGFDQMAJJFNX-KSFYIVLOSA-N 380.444 2.642 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70655860 XTROQZNKJXVYOM-UHFFFAOYSA-N 398.470 2.842 0 40 GFAB COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccc(Br)s2)cc1OC 72227062 LZJVMQOMDCTPKE-HUUCEWRRSA-N 397.294 2.939 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1N1CCCC1=O 223887965 TYXFZATXVMMHQZ-UHFFFAOYSA-N 388.489 2.951 0 40 GFAB CCOc1ccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225430776 KDFKSGXRRPUAIV-UHFFFAOYSA-N 393.534 2.968 0 40 GFAB Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 47553538 ZOAMQGPGYWCABM-UHFFFAOYSA-N 375.469 2.664 0 40 GFAB Cc1ccccc1O[C@@H](C)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 573483953 QYZBDDAQEKKUDK-HNNXBMFYSA-N 389.473 2.857 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)nn1-c1cccc(F)c1 574649540 SYFFZAZRHMFFMX-RDJZCZTQSA-N 398.442 3.095 0 40 GFAB O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc2c(c1)OCCO2 222785648 BZHGFZMYHWCKBJ-UHFFFAOYSA-N 375.431 2.777 0 40 GFAB CC(C)CN1CC2(CCN(C(=O)c3cccs3)CC2)[C@@]2(CCN(C)C2=O)C1 96144186 WEORRYXFIUWWNS-NRFANRHFSA-N 389.565 2.791 0 40 GFAB Cc1nc(CN2CCN(C)C3(CCN(Cc4cccs4)CC3)C2=O)cs1 96050102 VUUHBLMTBAPRGP-UHFFFAOYSA-N 390.578 2.822 0 40 GFAB Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)c1 96308953 DCJRPLYPNUFMIC-OAQYLSRUSA-N 377.488 2.753 0 40 GFAB CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(c4ncccn4)C3)ccc2c1N 257203942 ASHMSODHPJNICC-FQEVSTJZSA-N 396.520 2.928 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCCn2ccnc2C)[C@@H]1c1ccccc1F 257208458 BMFONWGXSDVFGE-XLIONFOSSA-N 386.471 2.837 0 40 GFAB O=C1NCCc2ccc(NC(=O)N3CC[C@@]4(CC(=O)c5ccccc5O4)C3)cc21 668678507 ZADREVMELBBXNH-JOCHJYFZSA-N 391.427 2.614 0 40 GFAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585291895 GTJUZOWEYBTOMZ-XGACYXMMSA-N 395.492 2.748 0 40 GFAB CC(C)(O)COc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 585268825 LBOLPSYXCRWWPE-PMACEKPBSA-N 375.440 2.600 0 40 GFAB C[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 54531353 AFHKNTOQTOSUAN-JLEDNIFVSA-N 382.552 2.925 0 40 GFAB COc1cc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc(C(=O)O)c1OC 57008355 JYXQOOLNWREBTA-UHFFFAOYSA-N 387.360 2.505 0 40 GFAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)[C@@H]1CCCO1 78597033 YBQFZZMUBCLJQN-NHYWBVRUSA-N 396.490 2.552 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cnn3c2CCCC3)c(Br)c1 634796621 YREFYUQZMKRZPD-UHFFFAOYSA-N 386.271 2.791 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1776011302 YPLYXXYUHOAWID-UHFFFAOYSA-N 383.466 2.646 0 40 GFAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5441120 YEFGNSJSPFUKNJ-JKSUJKDBSA-N 387.443 2.957 0 40 GFAB biogenic,in-vitro O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCOc1ccccc1 12866821 NLXNMQPKHRUAOR-UHFFFAOYSA-N 397.500 2.991 0 40 GFAB CCN(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)C1CCCCC1 16046951 JJZSLHOHEQJTQQ-LJQANCHMSA-N 396.491 2.812 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)cc1 19211602 VHVQJBZZISWROW-CQSZACIVSA-N 391.474 2.869 0 40 GFAB COc1ccc(OC)c(CN2CCc3c(O)nc(-c4cnc(C)cn4)nc3C2)c1 19239048 PVRSZNXHNZDMFD-UHFFFAOYSA-N 393.447 2.523 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C1=O 19460140 MYYWTTIFBZWPCK-NEPXVJNWSA-N 383.492 2.796 0 40 GFAB COc1ccc(-c2nc(NC(=O)Cn3c(C)cc(C)nc3=O)sc2C)cc1 19572432 BJPXYDPNOZKGLJ-UHFFFAOYSA-N 384.461 2.939 0 40 GFAB C[C@@]1(CC(=O)NCc2cccc(N3CCCCC3)c2)C(=O)N=C2C=CC=CN21 19661964 MKORYICOYCMMBS-JOCHJYFZSA-N 378.476 2.766 0 40 GFAB CCN1CCN(C(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)CC1 19817118 ADLNQBMZVNJDQT-UHFFFAOYSA-N 384.871 2.531 0 40 GFAB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCC(N)=O 6324889 AVVUXZKICXFFHE-RMMZIZBISA-N 391.493 2.648 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1Cn1nc2c(cc1=O)CCCCC2 105702040 BIOIZMUCCQMBJZ-KRWDZBQOSA-N 395.459 2.546 0 40 GFAB CS(=O)(=O)CCn1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)n1 528645634 OOGMXMPKZBYQAS-UHFFFAOYSA-N 397.447 2.656 0 40 GFAB COc1ccc2cnc([C@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)cc2c1C 19582621 OZMYIKOPDXLNBX-DLBZAZTESA-N 381.476 2.736 0 40 GFAB COc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(C)ccc3n2C)cc1 19661173 QXIQVVHYAYTRLH-UHFFFAOYSA-N 386.473 2.699 0 40 GFAB COc1ccc(-n2cnnc2SCC(=O)NC(=O)NC2CCCCC2)cc1 3378064 WGQYOQGRSRQHDW-UHFFFAOYSA-N 389.481 2.527 0 40 GFAB CCn1nc(C(=O)OCC(=O)Nc2ccccc2Cl)c2ccccc2c1=O 4525493 KZKUELKPYIMDPP-UHFFFAOYSA-N 385.807 2.865 0 40 GFAB CC(=O)Nc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1 6503312 BQHYJLGEVAJZAU-UHFFFAOYSA-N 377.356 2.985 0 40 GFAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2037984291 WMMRBHIZCAWFFR-SFHVURJKSA-N 386.414 2.544 0 40 GFAB COc1ccccc1N1C(=O)C[C@@H](NCCOC23CC4CC(CC(C4)C2)C3)C1=O 4573561 BIHYZGMYJBJLFQ-QCYTXABWSA-N 398.503 2.902 0 40 GFAB COc1cc(OC)cc(C(=O)N(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 5070914 RCZLZWUEWWSEAL-QGZVFWFLSA-N 387.457 2.970 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)c3ccc(OC)c(OC)c3)CC2=O)cc1 5195814 XSIAFHMCCZPSKU-HNNXBMFYSA-N 384.432 2.638 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1 5154007 FUJPIRIZVBWKNT-LBPRGKRZSA-N 399.472 2.842 0 40 GFAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21)C1CCCC1 12071376 PHKUEDRTKCSHID-UHFFFAOYSA-N 399.882 2.601 0 40 GFAB COC(=O)[C@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)C(F)(F)F 13810531 CDNFJLXMXLQQQY-MRXNPFEDSA-N 385.317 2.803 0 40 GFAB Cc1cc(OC2CN(C(=O)CCc3ccccc3Br)C2)cc(=O)o1 206959022 MYGGBGQKGJPVAI-UHFFFAOYSA-N 392.249 2.933 0 40 GFAB Cc1nc(N2CCC(NC(=O)c3cc(C4CC4)n[nH]3)CC2)cc(C(F)(F)F)n1 225726684 XNAOYUHNSHYEBL-UHFFFAOYSA-N 394.401 2.803 0 40 GFAB CCOC(=O)CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1 23139875 YUMSAFPRQIGIRZ-UHFFFAOYSA-N 382.486 2.659 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2csc(Nc3cccc(C)n3)n2)CC1 62022555 WHSRHQMKVAHXSR-UHFFFAOYSA-N 375.454 2.504 0 40 GFAB O=C(CN(Cc1ccccc1)C1CC1)N1CCN(C(=O)c2cccs2)CC1 25216427 DYNCIFPMOSRBSM-UHFFFAOYSA-N 383.517 2.697 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)o2)cs1 40073904 XJGWJHWOBRYOOR-SNVBAGLBSA-N 387.383 2.739 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 40156801 LRGYMYMFJCJRJH-UHFFFAOYSA-N 383.857 2.982 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)NCc1cccnc1OC1CCCC1 31124120 SSWKAPKXPPBQRQ-UHFFFAOYSA-N 392.463 2.983 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 100563707 RALOPTKVLRYTAT-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB Cc1cc(C)cc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 31773643 YUQTWCIWHYVOCF-VQTJNVASSA-N 390.549 2.840 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F)C(C)C 20737061 YNQHUAADWODWLL-RDJZCZTQSA-N 392.406 2.543 0 40 GFAB CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2=O)cc1 32795950 VMVLUBGHRWYCDA-HNNXBMFYSA-N 393.443 2.962 0 40 GFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1C 32809429 AEROKSQUUHJIOC-UHFFFAOYSA-N 393.553 2.571 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(Cc4ccccn4)CC3)c12 32822850 JNADENUXENJHST-UHFFFAOYSA-N 377.448 2.762 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC1(c2ccccc2)CCCCC1 103130813 DUKNZWCGFBIZIJ-IDPBPBMLSA-N 392.499 2.812 0 40 GFAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 675622 JEHCURYVKCPBPG-UHFFFAOYSA-N 395.531 2.659 0 40 GFAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N[C@H](C)CCc1ccccc1 42091402 JQXZQXQRVBTZSB-OAHLLOKOSA-N 376.460 2.820 0 40 GFAB Brc1cnn(Cn2ccc(-c3nc4c5ccccc5ncn4n3)n2)c1 2806335 XHXHEJRLZQWAFQ-UHFFFAOYSA-N 395.224 2.606 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CN2CCO[C@H](c3ccccc3)C2)n1 79488414 AIBQZPNUPFESHV-NRFANRHFSA-N 377.444 2.950 0 40 GFAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC3)nnc12 4509874 KPGLCJZVTXSXSM-UHFFFAOYSA-N 385.493 2.559 0 40 GFAB COc1ccccc1C(=O)COC(=O)c1ccc(CNC(=O)NC(C)C)cc1 6654590 YTQZKUANRBXZFF-UHFFFAOYSA-N 384.432 2.943 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c(C)s1 6679988 MBSQGPAEAZVTCF-UHFFFAOYSA-N 389.296 2.979 0 40 GFAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)NCc2ccco2)c1C 7282764 QFEUFIVOYDGQDX-UHFFFAOYSA-N 376.434 2.780 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10361259 BFVFAGHNNLOINP-OAHLLOKOSA-N 376.478 2.869 0 40 GFAB Cc1cc(O)n2nc(CC(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)nc2n1 100166448 ZECJCUZCAXAHQE-IAGOWNOFSA-N 395.438 2.757 0 40 GFAB O=C(NCCc1cccnc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 12527850 RNEFSNVHHVLDQA-UHFFFAOYSA-N 385.423 2.850 0 40 GFAB C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 26281241 LIBUAJNXKJMIMN-SNVBAGLBSA-N 394.324 2.778 0 40 GFAB COc1cc(NC(=O)Nc2ccc(Cn3cncn3)cc2)cc(OC)c1OC 9874112 LDPILXXQPKNFPU-UHFFFAOYSA-N 383.408 2.996 0 40 GFAB COc1ccc(-n2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nn2)cc1 57511654 WORQDGJDTSQMDA-UHFFFAOYSA-N 391.475 2.670 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1I 20034993 LFFQECLNCRKIBR-UHFFFAOYSA-N 395.262 2.863 0 40 GFAB Cc1cc2cc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)ccc2[nH]1 25129403 HYTPSPZNQJCPQO-UHFFFAOYSA-N 399.472 2.750 0 40 GFAB CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 113936550 KZVPMQYIHNEZQX-UHFFFAOYSA-N 392.477 2.669 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCc2cc(C(F)(F)F)ccc21 24469003 HFVCWZBFQRERFU-UHFFFAOYSA-N 395.381 2.849 0 40 GFAB Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C 102959402 ZOEBERHGBBUXLX-UHFFFAOYSA-N 395.893 2.828 0 40 GFAB COc1cc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)ncn1 3647764 LUHALAKTWWCBOS-AWEZNQCLSA-N 390.705 2.948 0 40 GFAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 11130944 IQIJSVHUMFBPJC-SNVBAGLBSA-N 391.424 2.791 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1Br 45749454 WEHDILCCXYKCDP-HNNXBMFYSA-N 395.297 2.660 0 40 GFAB CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 11767587 GNTAUDKFZHYVHV-UHFFFAOYSA-N 391.475 2.984 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3412162 QMMQPHNQEDJNRO-WNSKOXEYSA-N 389.455 2.748 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3595033 VUKDDSFBZRICCP-DYZYQPBXSA-N 386.279 2.921 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 12981848 PUFCZDSVZYPDBO-UHFFFAOYSA-N 393.443 2.548 0 40 GFAB O=C(COc1ccc2c(c1)OCO2)N1CCN(c2nsc3ccccc23)CC1 13693457 GQUWBOSBGBZWLM-UHFFFAOYSA-N 397.456 2.753 0 40 GFAB Cc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1S(=O)(=O)N(C)C 9254979 WINOXAJRMNCWEZ-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 5342285 WGOYHQNIKLMSKE-YLJYHZDGSA-N 393.487 2.677 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1=O 14152495 BMEVDRACRXYCQM-UHFFFAOYSA-N 382.382 2.752 0 40 GFAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 14242832 DVRXMYAHJWHBMW-LBPRGKRZSA-N 388.445 2.689 0 40 GFAB COc1ccc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 4601850 GCSFZZLKCIKIOS-INIZCTEOSA-N 386.429 2.680 0 40 GFAB COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CCO 5573685 JAVYDWKHIVKXHO-KRWDZBQOSA-N 385.803 2.993 0 40 GFAB Nn1cc(-c2ccccc2)nc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 6649924 MUVDJCLKDZALPI-IBGZPJMESA-N 394.500 2.956 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9422741 ORVNSDHDZGSXNA-CYBMUJFWSA-N 379.869 2.774 0 40 GFAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC 20637634 QUFLEQWUHNHJDV-QZTJIDSGSA-N 395.415 2.774 0 40 GFAB O=C(NCC1CCN(Cc2ccccc2)CC1)c1cc2c([nH]c1=O)CCCC2 68307307 DCFNSYJKYQQOQI-UHFFFAOYSA-N 379.504 2.896 0 40 GFAB Cn1cccc1[C@H]1CCCN1CC(=O)NC1CCN(Cc2ccccc2)CC1 7856777 JAWDMNJAWXWGOC-JOCHJYFZSA-N 380.536 2.943 0 40 GFAB COC(=O)c1cn([C@H]2CCCC[C@H]2OC(=O)c2cc3c(s2)CCC3)nn1 83897558 PCSXVJRCSLJVEJ-UONOGXRCSA-N 375.450 2.956 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 8751563 IPFIFKWUIGXVNW-UHFFFAOYSA-N 388.474 2.708 0 40 GFAB O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 89768344 XMIZBHKVRAHCHI-GHJWDPDVSA-N 383.275 2.651 0 40 GFAB O=C(NCc1ccc(N2CCCC2)nc1)NCc1ccc(N2CCCC2)nc1 23081091 RQGYFZFPHTYGJU-UHFFFAOYSA-N 380.496 2.676 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 22338539 VGYKOBKBVQYBLY-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COc1cc(C(=O)NC2CCCCCC2)c(N(C)S(C)(=O)=O)cc1OC 22251223 FCRQAYNOMXOVIO-UHFFFAOYSA-N 384.498 2.552 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(SC)cc2)c(OC)c1OC 64596807 DIOCBYVHAKZXSW-UHFFFAOYSA-N 383.491 2.913 0 40 GFAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 409110920 ACBHRVWYDHUGBR-UHFFFAOYSA-N 379.434 2.828 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCCN1CCN(c2ccc(F)cc2)CC1 56997238 TURHCDMSCUSSPQ-UHFFFAOYSA-N 391.874 2.796 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc(=O)c(OC)co2)sc1-c1ccccc1 72404547 SVBMXKAVJUNQDR-UHFFFAOYSA-N 386.385 2.811 0 40 GFAB COc1cccc(CNC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c1 35292002 VLDRZDXOYDJUSZ-UHFFFAOYSA-N 393.472 2.934 0 40 GFAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)[C@@H]1COc2ccccc2O1 35313255 VOCMHSNXYHCXNT-KDOFPFPSSA-N 386.448 2.751 0 40 GFAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccc(F)cc3Cl)nc2c1 71327527 LIJVHJHTNOBSFM-UHFFFAOYSA-N 393.827 2.982 0 40 GFAB COc1ccc2c(C)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)O)CC3)c(=O)oc2c1 217445081 QNLUSZOWHYRJRU-HDJSIYSDSA-N 387.432 2.660 0 40 GFAB C[C@H](NC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2)c1ccc2n[nH]cc2c1 569061443 ZRKNXUQNXNCOOR-AWEZNQCLSA-N 390.509 2.624 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223604523 FVZCZYOHDGJNDY-RTBURBONSA-N 379.489 2.622 0 40 GFAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 223291906 DOGUGDHJYDNJPW-AWEZNQCLSA-N 392.477 2.887 0 40 GFAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)C1 223202354 DAAVWYHQQZMZEP-JLTOFOAXSA-N 391.899 2.986 0 40 GFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1c(F)cccc1F 77196514 YIZYDJBANAVXMR-UHFFFAOYSA-N 399.444 2.524 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(c2ncccn2)CC1 77200885 KCNMAQQSHXRFEO-UHFFFAOYSA-N 394.454 2.663 0 40 GFAB COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224311629 IHRMOEQPHBYOCR-UHFFFAOYSA-N 390.875 2.559 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 223586574 HHMIGTUPBBTSJH-RBUKOAKNSA-N 382.464 2.976 0 40 GFAB CCCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 96037203 HXLYZZIMOGBPQI-IRXDYDNUSA-N 394.537 2.885 0 40 GFAB CCc1c(NC(=O)[C@@H](C)n2cnc3c(N)ncnc32)cnn1-c1cccc(C)c1 613941407 HZJJEQBCJKLZPU-CYBMUJFWSA-N 390.451 2.665 0 40 GFAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)OC1 575404908 FQBCDJGCKXURHA-GSQFEDNKSA-N 386.536 2.833 0 40 GFAB O=C(c1ccncc1F)N1CCC(COc2ncc(Br)cn2)CC1 1776000714 HBYQTXKLAMRAIL-UHFFFAOYSA-N 395.232 2.704 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](N[C@H]1CCS(=O)(=O)C1)c1ccccc1 58137315 HVYKZJYSRBKBDL-LPHOPBHVSA-N 388.489 2.542 0 40 GFAB C[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5919365 FPXUZHSQQSBQDY-BLLLJJGKSA-N 389.839 2.662 0 40 GFAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(Cn2cccn2)cc1 11531073 LVBBSWBXZZLSRY-UHFFFAOYSA-N 378.432 2.559 0 40 GFAB Cc1nn(CC(=O)N[C@H]2C[C@@H]2c2ccccc2)c(=O)c2cc3sccc3n12 12115279 NQBQAPALSSGDQW-CABCVRRESA-N 378.457 2.691 0 40 GFAB COCCc1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 12329048 CCFYUFOTUDPNGM-QIDMFYOTSA-N 383.492 2.689 0 40 GFAB CCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccc(F)cc1 12650421 FLVLMUIYRGIFFP-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1C 13675086 RXOUCQYHRRHKDO-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB Cc1cccc(OCCCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 14804253 IEZPIQWZSITSQP-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB O=C(Cc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19348072 GWUZRETZJKVFCV-UHFFFAOYSA-N 398.463 2.981 0 40 GFAB O=C(COC[C@H]1COc2ccccc2O1)N1CCCC[C@@H]1CCN1CCCC1 19375742 YQMTWXNASXQSRS-MOPGFXCFSA-N 388.508 2.710 0 40 GFAB CC(=O)N[C@@H]1CN(Cc2oc3ccccc3c2C)C2(CCN(C(C)=O)CC2)C1 19704105 OQQKPPWMVJLBCL-SFHVURJKSA-N 383.492 2.833 0 40 GFAB Cc1ccccc1CCNC(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1 19749424 DPUGWDPNRJUDFZ-UHFFFAOYSA-N 380.423 2.942 0 40 GFAB Cc1cc(OC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc(=O)o1 206975760 HGVVATLKEJBZJD-UHFFFAOYSA-N 389.882 2.895 0 40 GFAB O=C1NCCOCCOc2ccc(-c3ccccc3F)cc2CN2CCC[C@@H]12 643571063 ULSZULVLXVJDIA-FQEVSTJZSA-N 384.451 2.982 0 40 GFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)CC(C)(C)C)CC4)ncnc32)cc1 11665778 UDEZJWNSWBKIGO-UHFFFAOYSA-N 393.495 2.604 0 40 GFAB COc1cccc(C(=O)N2CCC[C@]3(CNC(=O)c4ccc(OC)cc4O3)C2)c1 12086768 DMEVTLOBZJEIKS-QFIPXVFZSA-N 396.443 2.501 0 40 GFAB COc1cccc(C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 12187388 GOGYELNEFWXSLL-UHFFFAOYSA-N 379.420 2.863 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)COc4ccc(F)cc4)C[C@H]3C2)nn1 1888888109 KFCMFCHNSKNIHY-IYBDPMFKSA-N 398.482 2.887 0 40 GFAB Cn1nc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)c2ccccc21 1888906438 ZMSJZBUTVQWVEP-AWEZNQCLSA-N 377.448 2.782 0 40 GFAB O=C1CN(C(=O)c2cccc(I)c2)c2ccccc2N1 36350947 WCWRUJFQZXFZHH-UHFFFAOYSA-N 378.169 2.890 0 40 GFAB COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1OC 4105656 RVLWWWRHIRPAQD-HHHXNRCGSA-N 391.493 2.599 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(F)c3)c2C)n1 16849600 XZPQVXFGXOBXMJ-UHFFFAOYSA-N 387.390 2.730 0 40 GFAB Cc1csc(C(=O)N2CCC[C@@]3(COCCN(c4nnc(C)o4)C3)C2)c1 2055816049 LCQRFFWIHGTKPS-GOSISDBHSA-N 376.482 2.507 0 40 GFAB CCOC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21 4359028 FNSMEGYYZHIPKO-UHFFFAOYSA-N 378.384 2.770 0 40 GFAB COC(=O)[C@@H](C)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 1894839 PUQRIBKJBZOSOK-CYBMUJFWSA-N 381.384 2.517 0 40 GFAB biogenic Cc1nc2ccccc2n1CCNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 30034380 FMTSMMOEPXZZBC-IYBDPMFKSA-N 393.491 2.783 0 40 GFAB Cn1cc(-c2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)cs2)cn1 40143618 FHFYMCHQIBYQTQ-UHFFFAOYSA-N 392.444 2.760 0 40 GFAB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 100563758 HWABDGNIOJVAKM-HKUYNNGSSA-N 391.427 2.601 0 40 GFAB CN(Cc1cccs1)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 31529349 UWJMNDWSTRKYEX-HOTGVXAUSA-N 378.494 2.689 0 40 GFAB CCc1ccc(S(=O)(=O)NCCC(=O)N2CCc3sccc3C2)cc1 52117006 JMRZSGZQMWVNOK-UHFFFAOYSA-N 378.519 2.564 0 40 GFAB Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)cc(=O)c2cc1C 21805977 FRFKWUXGRHHWAV-KRWDZBQOSA-N 396.443 2.806 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2Br)CC1)C1CC1 52964203 XVLJLOBARZKOCJ-UHFFFAOYSA-N 379.298 2.899 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCO[C@H](c3ccc(F)cc3)C1)C(=O)C2 103021150 UYVMBQLLWINXEL-RIFZZMRRSA-N 395.496 2.924 0 40 GFAB O=C(c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCCCC1 33325327 AXKPIGJBANIFJA-CYBMUJFWSA-N 379.507 2.597 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325675 NPLZVYKDBLBQCQ-QGZVFWFLSA-N 387.505 2.763 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 937629 VBBNXBQYJJBONF-UHFFFAOYSA-N 376.434 2.698 0 40 GFAB COc1ccccc1C(=O)OCCSC1=NS(=O)(=O)c2ccccc21 2170711 RFTZJWWQXCYNSU-UHFFFAOYSA-N 377.443 2.734 0 40 GFAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2746444 CRDLVQPQUWGKKO-SNVBAGLBSA-N 377.447 2.595 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=S)NC[C@@H]1CCCO1 2771087 MUYLNQLVHZCFHG-JTQLQIEISA-N 384.855 2.897 0 40 GFAB Cc1nn(C)c(C)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 2777598 JVEXXQZOINLXRG-SECBINFHSA-N 385.493 2.625 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 3213686 XQWMLQJWUMJFCO-UHFFFAOYSA-N 387.455 2.915 0 40 GFAB CNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3435898 GGQFJQZIEZTDQD-UHFFFAOYSA-N 381.363 2.653 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3483920 TVQAAOJXCMKLSN-UHFFFAOYSA-N 381.461 2.872 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1/C=C/c1ccccc1 4318581 VSLFZEBFPWQYRR-MVHLYKQMSA-N 386.473 2.866 0 40 GFAB CC(C)(C)n1nc2c(c1NC(=O)CN1C(=O)c3ccccc3C1=O)CSC2 4341917 GYJYCOYDBRJUIU-UHFFFAOYSA-N 384.461 2.620 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CSc1nn2c(=O)c(C)nnc2s1 5143818 CYXNABWXCZOCID-UHFFFAOYSA-N 381.870 2.547 0 40 GFAB CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 5241772 CJSBRRZIYJMERX-UHFFFAOYSA-N 392.502 2.772 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6323063 SCMDGFVDQDRQCF-UHFFFAOYSA-N 390.505 2.802 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(S(=O)(=O)N(C)C)c1 6384575 IVFLSRDCUXUPAB-UHFFFAOYSA-N 391.445 2.505 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6597165 YCZCPNKWVONCQG-UHFFFAOYSA-N 390.505 2.850 0 40 GFAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(Br)ccc1O 6643720 XYQJISDCMFJGDU-UHFFFAOYSA-N 390.189 2.608 0 40 GFAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(F)c(F)c1F 6649550 HNUUORPCKCPJRK-MRVPVSSYSA-N 391.305 2.524 0 40 GFAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 6730397 WLAUFTGGCJXMLN-UHFFFAOYSA-N 384.457 2.989 0 40 GFAB CCN1C(=O)N/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)C1=O 6951834 IDXWOLXZWBSBGX-FOWTUZBSSA-N 395.415 2.625 0 40 GFAB CCOc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 6965112 IRSDDAHSIAXOIK-LFIBNONCSA-N 383.379 2.756 0 40 GFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCCOc1ccccc1 7424628 LUWHBSBOUGGWMD-UHFFFAOYSA-N 391.353 2.554 0 40 GFAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 7585992 PBMRHHCYBMGLOW-GOSISDBHSA-N 395.488 2.663 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1 8037138 KTWOOFYNVAUXRG-AEFFLSMTSA-N 380.444 2.769 0 40 GFAB COc1cccc(N2CCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CC2)c1 8170341 OBAXBIQFYUYAEL-UHFFFAOYSA-N 393.487 2.713 0 40 GFAB Cc1c(CC(=O)NCCCN(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8490972 VBWVHLCDHFGIDH-UHFFFAOYSA-N 386.492 2.815 0 40 GFAB biogenic CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)C[C@H]1COc2ccccc2O1 10049857 CGTBYDOGZWHDOJ-SFHVURJKSA-N 395.459 2.524 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1N(C)S(C)(=O)=O 10233944 SBPKAXMRRLWPND-UHFFFAOYSA-N 382.507 2.808 0 40 GFAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccco2)n2nnnc2N3)cc1 10296028 MEHPSTLNMSDDLY-INIZCTEOSA-N 377.364 2.522 0 40 GFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 10833969 DCWUENWUXOCDDT-OAHLLOKOSA-N 382.869 2.561 0 40 GFAB C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1)c1ccccc1 11094098 WZAGZRMOIZTTMY-QFBILLFUSA-N 399.535 2.749 0 40 GFAB COc1ccc2nc(N(CCCN(C)C)C(=O)c3cc(C)n(C)n3)sc2c1 12229209 JTNBBEOIXOLHBR-UHFFFAOYSA-N 387.509 2.945 0 40 GFAB O=C(NC[C@H](O)c1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321253 CSSVHXTWHIUJRY-NQIIRXRSSA-N 391.471 2.870 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 12583386 PSQVCHQYTAFQSW-UHFFFAOYSA-N 397.474 2.514 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 12623703 ZPWMHISTXKHWPQ-RHSMWYFYSA-N 387.436 2.519 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1C 12627406 PKRAAAPKAHWENZ-HXUWFJFHSA-N 394.450 2.812 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)Cc1nn2c(=O)cc(C)nc2s1 12783888 WSTOJGHTURECEZ-UHFFFAOYSA-N 386.437 2.515 0 40 GFAB O=C(CN1CCC[C@H]1c1cccs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12927722 ZXGFPHWWYVMIKD-SJORKVTESA-N 396.578 2.843 0 40 GFAB CC(C)(C)C(=O)N1CCC(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)CC1 12943504 AGHJMBNWPSLWPR-SFHVURJKSA-N 386.492 2.834 0 40 GFAB CCN1CCN(C(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)CC1 13639236 HSJGBKBUJHFVLQ-UHFFFAOYSA-N 398.898 2.839 0 40 GFAB COCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)C[C@@H](C)C3 13639453 FONUXJZDFNIIBO-NSHDSACASA-N 382.420 2.720 0 40 GFAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1nccs1 14201347 MIMCKPRNZDGPST-UHFFFAOYSA-N 378.504 2.802 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 15474553 LXLSQMORWRCTHK-UHFFFAOYSA-N 384.841 2.518 0 40 GFAB COc1cccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccccc2)c1 19285414 JCRNSKWCNJTTMX-HXUWFJFHSA-N 377.444 2.730 0 40 GFAB COCCOc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2nccn2C)c1 19291399 XIOMBTFKOXGGNQ-QIDMFYOTSA-N 385.508 2.565 0 40 GFAB CC(C)CC[C@H](C)NC(=O)CSc1nnc(N2CCOCC2)n1CC(C)C 19353656 OXPUPWBYZMEDGT-INIZCTEOSA-N 397.589 2.804 0 40 GFAB CN(C)Cc1ccc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)cc1 19583515 AUMYXTIIVRMTOX-QHCPKHFHSA-N 393.487 2.545 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1F 20039444 UYAKLHLEHMBTMI-UHFFFAOYSA-N 375.425 2.807 0 40 GFAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 20101584 PNCTYIBFMDLTOV-OAHLLOKOSA-N 384.867 2.630 0 40 GFAB CCOC(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2nc(C)ccc2c1=O 20986383 IHBBELKWLYVCDD-UHFFFAOYSA-N 383.379 2.659 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 22405770 QQSFFMOGNOXIQF-UHFFFAOYSA-N 396.472 2.999 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)nc1 29084157 YRHINJNIQBKPOJ-UHFFFAOYSA-N 395.459 2.590 0 40 GFAB c1ccc(CN2CCN(c3nc(N4CCCCC4)c4nccnc4n3)CC2)cc1 31809754 NTMZYHZUSHGAHJ-UHFFFAOYSA-N 389.507 2.732 0 40 GFAB CCc1nnc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)s1 31814818 ZRZGKPRADXHJHJ-UHFFFAOYSA-N 389.433 2.714 0 40 GFAB CCc1cc2oc(=O)cc(COC(=O)C3=NN(C)C(=O)CC3)c2cc1Cl 32841189 YQXBXVSSGPTVCR-UHFFFAOYSA-N 376.796 2.660 0 40 GFAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC(NC(=O)c2ccccc2)CC1 32860392 RTYPKFJHFBWIHJ-QGZVFWFLSA-N 377.488 2.859 0 40 GFAB CCc1sc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C 32930570 DOOYLVZUWBNWAM-UHFFFAOYSA-N 385.533 2.937 0 40 GFAB O=C(COc1ccccc1-c1noc(-c2ccccc2F)n1)N1CCOCC1 33325124 MAUFAHMLGLGXEK-UHFFFAOYSA-N 383.379 2.780 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 33622348 NAMIBWTYQTWFLG-UHFFFAOYSA-N 388.917 2.810 0 40 GFAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4)CC3)ccc21 36741189 HZCKGZDHGRZGHX-HSZRJFAPSA-N 379.504 2.841 0 40 GFAB COc1ccc(CN2CCCN(C(=O)c3cnc4onc(C)c4c3)CC2)cc1 40086991 QSXFNIYLLCGMGT-UHFFFAOYSA-N 380.448 2.888 0 40 GFAB Cc1nc(CN2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)cs1 40107474 BVADMUPMYUZEQH-UHFFFAOYSA-N 381.505 2.524 0 40 GFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CNC(=O)c1ccc2c(c1)OCO2 47275397 VEEFEHBWSLEEFL-OAHLLOKOSA-N 384.432 2.876 0 40 GFAB O=C(Nc1ccccc1)C1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1 48252018 CJOALGIPVZALRX-UHFFFAOYSA-N 392.521 2.611 0 40 GFAB COc1ccc(C(=O)N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1OC 49171075 QSWVRUOLCVQAFW-HNNXBMFYSA-N 380.404 2.779 0 40 GFAB biogenic,in-vitro C[C@H](CCc1ccccc1)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C 54915538 PRDDCQIOERSEGF-ZBFHGGJFSA-N 379.551 2.906 0 40 GFAB Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)oc12 56393434 XCXSQUOXDSXBOT-OAHLLOKOSA-N 378.494 2.902 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)N(CC)c2cccc(C)c2)c1=O 57477446 LYAXNEZYHNXTBX-UHFFFAOYSA-N 379.460 2.935 0 40 GFAB Cc1cccc(NC(=O)CNc2ccccc2C(=O)N2CCC[C@H](O)C2)c1C 58159933 QFWNWHGXAOOEPT-KRWDZBQOSA-N 381.476 2.951 0 40 GFAB CC[C@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)CCO1 58208675 CFSXKHYDHRUCBF-AWEZNQCLSA-N 378.523 2.880 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc(Br)s2)cc1OC 72227061 LZJVMQOMDCTPKE-GJZGRUSLSA-N 397.294 2.939 0 40 GFAB COC[C@@H](C)NC(=O)CN1CCC(c2nccnc2Oc2ccccc2)CC1 72362919 QRXWMPRMCPOPBK-MRXNPFEDSA-N 384.480 2.599 0 40 GFAB Cc1cc(C)c2nc(NC(=O)C3CN(C(=O)C4CCN(C)CC4)C3)sc2c1 72392061 PSOGSUHJRFTFTI-UHFFFAOYSA-N 386.521 2.652 0 40 GFAB NC(=O)[C@H]1CCCN1[C@H](C(=O)O)c1c[nH]c2cc(OCc3ccccc3)ccc12 80356957 KTDJJSNWLNTZSV-UXHICEINSA-N 393.443 2.822 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)Nc2ccc(OC)nc2Br)cc1 83937976 WXAKMNKOEHMSEJ-ZDUSSCGKSA-N 396.241 2.716 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NCCCn1ccnc1-c1ccccc1 90583308 LMIWCVKMNYZIFE-UHFFFAOYSA-N 376.416 2.665 0 40 GFAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(N4CCOCC4)CCCC3)c2)n1 95959626 HKQPAVVGZXUNER-UHFFFAOYSA-N 396.491 2.583 0 40 GFAB Cc1nnc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)s1 96024394 GPUVQDZZUSEMRB-UHFFFAOYSA-N 390.494 2.776 0 40 GFAB O=C(Nc1ccc(F)cc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240889 FNOOEUYMKKQLSK-QGZVFWFLSA-N 375.444 2.709 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](OCCO)c2ccc(C)cc2)cc1Cl 96338092 ILKIXCYDYATJEZ-GOSISDBHSA-N 399.896 2.686 0 40 GFAB CNC(=S)N1[C@H]2CC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100433863 YXFBNTZHZYTMFM-WOWHOIJRSA-N 376.570 2.754 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cccc(C)c4)[C@H]3C2=O)cc1OC 101418189 JXQMVERQSGIIMI-ZWKOTPCHSA-N 380.404 2.506 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 222438450 OCZXDZBGRZIQTD-QGZVFWFLSA-N 396.487 2.862 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C 222860135 VXBURSOPGXSQSJ-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB COCCCNC(=S)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 223889691 AQNBDOSWPZDALN-UHFFFAOYSA-N 385.537 2.731 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 224047135 JDQMLYQZZIDSFC-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224638277 BSXNBVRPNQBIAU-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB COc1ccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)cc1 224695978 NUBGXORKKXJYFO-UHFFFAOYSA-N 382.526 2.938 0 40 GFAB COCCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1 225921693 QVQAFECQEMMCIH-UHFFFAOYSA-N 378.450 2.859 0 40 GFAB Cc1cc(OC2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)cc(=O)n1C1CC1 244942743 CXQMDUSGIVDBLO-UHFFFAOYSA-N 393.365 2.809 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 247502863 QLHHWEITWDYDSE-XPDMDZMYSA-N 391.471 2.695 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCCCC1)NC2=O 247912866 AHJAKLFIJVEYSA-ORENWSFKSA-N 384.476 2.962 0 40 GFAB CC(=O)N1CCCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@H](C)O)CC1 253406189 UHTLOYBCVDUGTR-LBPRGKRZSA-N 391.855 2.743 0 40 GFAB biogenic,in-vitro Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1 253566313 ITVIHWIKPMIVTI-HIFRSBDPSA-N 395.463 2.934 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc(C)c1CC(=O)NC(C)C 257250777 JNYSGLGHJDUCBU-SFHVURJKSA-N 395.507 2.575 0 40 GFAB CC(=O)N1CCC(Cc2cncc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 257333600 YCGCGDNVEARZSC-HXUWFJFHSA-N 394.475 2.846 0 40 GFAB Cc1ccccc1C(=O)N1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306124883 CBGQXDLXJXUFGH-QHCPKHFHSA-N 386.455 2.801 0 40 GFAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 306145111 ZYKYTVFMTKOQFP-TZIWHRDSSA-N 383.517 2.750 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c1 408610685 VGZIGLXTLCWCCX-CQSZACIVSA-N 392.477 2.788 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1OCC 408698265 OLEHHXGODZGRAO-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(Cl)c2)C1=O 409234054 YGYYZPOHXNEHJH-XNTDXEJSSA-N 385.807 2.880 0 40 GFAB C[C@H](Sc1nc(O)cc(C(F)F)n1)C(=O)N1CCN(c2ccccc2)CC1 520292105 PAJCYTFPQOVUOE-LBPRGKRZSA-N 394.447 2.949 0 40 GFAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1nc(-c2ccccn2)cs1 524733175 BVVGUGBKWZXGTB-AWEZNQCLSA-N 383.462 2.871 0 40 GFAB O=C(CSCc1cc(-c2cccs2)on1)N1CCc2c(O)ncnc2C1 551906358 MFZLWLDGALKOBV-UHFFFAOYSA-N 388.474 2.717 0 40 GFAB COc1cc(NC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc(OC)c1 575618318 ANFWYJVLDTUFHP-UHFFFAOYSA-N 383.452 2.725 0 40 GFAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1ncsc1C(F)(F)F 623002919 DIVBOWLNKXYFLA-SNVBAGLBSA-N 376.381 2.561 0 40 GFAB C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)N1CCc2sccc2C1 623634797 MCCNYDZGQJKHFL-YLJYHZDGSA-N 398.576 2.918 0 40 GFAB CN(CC1(c2ccccc2)CC1)C(=O)c1nnn([C@@H]2CCNC2)c1C(F)F 638299669 PBUKOQFKKDKLBX-CQSZACIVSA-N 375.423 2.554 0 40 GFAB COc1cc(Cl)c(OC)c2c(=N[C@H]3CCN(C)[C@@H](C)C3)c(C(=O)O)c[nH]c12 649389391 BFTWOFPZCWPMOE-QWRGUYRKSA-N 393.871 2.920 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)nc1C 655641312 FAWIWJBJKSAFIU-UHFFFAOYSA-N 385.493 2.723 0 40 GFAB CC(C)O[C@@]1(CS(=O)(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CCOC1 659891685 INQBJEDYJVSTBG-MOPGFXCFSA-N 385.501 2.747 0 40 GFAB CC(C)(C)n1ncc2c(N)nc(N3CCN(Cc4cccc(F)c4)CC3)nc21 663723508 ZMYAEWFTDIIJEO-UHFFFAOYSA-N 383.475 2.625 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncnc3c2CCC3)CC1 1888890518 WIMFFYYJBYCHJS-UHFFFAOYSA-N 375.476 2.900 0 40 GFAB Cn1cc(-c2cnc(OC3CCN(c4cnc5ccccc5n4)CC3)nc2)cn1 1889229195 ZTJQRTRXCPGKDH-UHFFFAOYSA-N 387.447 2.868 0 40 GFAB Cc1ncsc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840398 LVVXLRJHMNKVBB-UHFFFAOYSA-N 375.469 2.989 0 40 GFAB O=C(CCc1ccncc1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985234 CEHMXEATXRHQMC-QHCPKHFHSA-N 393.487 2.829 0 40 GFAB COc1ccc2nc(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)ccc2c1 2086889540 PLNNTWYCUPWJKS-HNNXBMFYSA-N 375.494 2.636 0 40 GFAB COc1ccc(CNC(=O)NC[C@@]2(O)CSCc3ccccc32)cc1OC 2087165809 PFJYJDCCDCIGKD-HXUWFJFHSA-N 388.489 2.638 0 40 GFAB C[C@@H]1CN(c2nc3ccccc3c(=O)n2C)CCN1Cc1cc(F)cc(F)c1 2298117644 ZZNAMXLURRGEHQ-CQSZACIVSA-N 384.430 2.922 0 40 GFAB COc1ccc(OC)c(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 932147 GRVXMVWFQJJKIT-BETUJISGSA-N 391.497 2.561 0 40 GFAB CC(C)c1ccc(CN2CCN(C(=O)CN(C)C(=O)c3ccco3)CC2)cc1 22871686 BSNBSSGXINUTJA-UHFFFAOYSA-N 383.492 2.819 0 40 GFAB C1=CCN(c2nc(N3CCOCC3)nc(N3CCCc4ccccc43)n2)CC1 1026905 NPSSWFFITQABEH-UHFFFAOYSA-N 378.480 2.559 0 40 GFAB O=C(NCc1cc(Br)cs1)c1ccc2c(=O)[nH]c(S)nc2c1 53968916 DZWHFMNPOSPZCK-UHFFFAOYSA-N 396.291 2.966 0 40 GFAB COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCC3)c(=O)[nH]c2c1 1224817 PDGGJPCSRICZTB-IBGZPJMESA-N 394.479 2.824 0 40 GFAB COc1ccc(/C=C/C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 23181133 PHYPGQMTSGWXOA-ZGWZEZEDSA-N 376.497 2.721 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23731277 CXVWWUAYXOTRBD-JTSKRJEESA-N 395.507 2.821 0 40 GFAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1003782 LMBJDXKEKCYEIY-UHFFFAOYSA-N 377.491 2.937 0 40 GFAB Cc1noc(C2CCN(CC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)n1 54678640 WPQXGAUACIMZSO-UHFFFAOYSA-N 394.479 2.999 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cc1 6267183 GLFVRFFLBUDJSX-UHFFFAOYSA-N 382.493 2.764 0 40 GFAB CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 6356226 XHWBPLAXFOECEO-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6395107 GHKRIFHMZGWEFY-AWEZNQCLSA-N 382.416 2.766 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)NC[C@H]3CCCO3)c2)c1 6681258 NHLCXBMOXUSFEO-OAHLLOKOSA-N 394.518 2.790 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 8139863 LCMCPCQXLFGBRI-UHFFFAOYSA-N 377.853 2.668 0 40 GFAB COc1c2c(cc3c1[C@H](C[C@H](O)[C@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 1280241 TWOLFEWIKVSGFO-JYJNAYRXSA-N 377.481 2.909 0 40 GFAB biogenic O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN(c2ncccn2)CC1 57388191 HILYACIUAJGQHB-HXUWFJFHSA-N 393.516 2.566 0 40 GFAB CCOC(=O)c1csc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)n1 57962005 HRYHTYJBJIVCHO-UHFFFAOYSA-N 395.824 2.910 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)N[C@H](CN3CCCC3=O)c3ccccc3)cc12 58088327 LHOVUXUCVILQJS-GOSISDBHSA-N 392.463 2.762 0 40 GFAB O=C(NCCc1nnc2ccccn12)c1c[nH]c2ccc(Br)cc12 10079593 GUYYXVSJBZGEHA-UHFFFAOYSA-N 384.237 2.946 0 40 GFAB COc1ccc(C2(NC(=O)Cc3ccc(-n4cnnn4)cc3)CCCC2)cc1 58147526 RINNQMGZHQNWKT-UHFFFAOYSA-N 377.448 2.799 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1cc(C)on1)C(F)(F)F 2257317 SYYRFLLMIRCIJY-HNNXBMFYSA-N 389.305 2.786 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2C)c1 2331407 JITICAZOKMTPND-UHFFFAOYSA-N 381.461 2.620 0 40 GFAB CCOc1ccccc1CNC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 20110173 DLNSHLWGKIFQBJ-UHFFFAOYSA-N 376.478 2.801 0 40 GFAB CCCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(=O)n(C)c(=O)n(C)c21 11845299 GMPBVLDTGWHGJW-UHFFFAOYSA-N 388.855 2.663 0 40 GFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nc2ccccc2s1 60677591 RQBFPBGMULWDBS-OAHLLOKOSA-N 383.498 2.827 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3412157 QMMQPHNQEDJNRO-NPMXOYFQSA-N 389.455 2.748 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)no1 3531200 MKFSLZUTMJETLC-UHFFFAOYSA-N 386.481 2.984 0 40 GFAB CC[C@@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1cc(C)on1 12948918 PSQLABQMPBZAJI-TZMCWYRMSA-N 375.356 2.508 0 40 GFAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccc(C(=O)O)o1 4383839 TZPKFBKDVUXVNR-VGOFMYFVSA-N 375.358 2.889 0 40 GFAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 5274893 YSIYEGBFBISZGA-LKGOPFMKSA-N 376.460 2.522 0 40 GFAB O=C(O)c1ccc(NC(=O)[C@H]2Cc3cc(Br)ccc3C(=O)O2)cc1 5303362 CTAKMTTXCBPNFV-CQSZACIVSA-N 390.189 2.868 0 40 GFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1(C)C 14188840 OZJVSYFWIMGDRE-MAUKXSAKSA-N 394.512 2.897 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2O1 6624540 XKJGLVHDXXSJEG-UHFFFAOYSA-N 399.399 2.925 0 40 GFAB biogenic C[C@@H]1[C@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2c1ccc(Br)cc1 4772767 JKBNGUTWVQJJLM-RABLLNBGSA-N 395.301 2.815 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)c(C(N)=O)c1 66441750 OYTRNNOGALKBFZ-SFHVURJKSA-N 395.459 2.736 0 40 GFAB COc1cccc(CN(C)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 15294677 CQAPFFBHCXHJSN-UHFFFAOYSA-N 384.476 2.729 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N(C)C4CCCCC4)ncn3n2)cc1 67208829 WEXBVGUTTKZREM-UHFFFAOYSA-N 393.491 2.912 0 40 GFAB O=C(Nc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9423666 NCXGNIHXGNGIDQ-CYBMUJFWSA-N 379.869 2.774 0 40 GFAB CCOc1cc2c(cc1CNC(=O)CSc1nnc(NC)s1)O[C@@H](C)C2 7383226 RTZQAXCJTIEQRY-JTQLQIEISA-N 394.522 2.710 0 40 GFAB O=C(OCCOc1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 7566127 MUGOHALMPSBBEN-UHFFFAOYSA-N 393.436 2.846 0 40 GFAB CCN(CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1C 7669961 JFTXZVZEZRFHCU-UHFFFAOYSA-N 382.892 2.533 0 40 GFAB COc1ccccc1N1C(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 7718515 UEDYAEIEYVWGEE-CVEARBPZSA-N 392.864 2.961 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC(C)C)Oc3ccccc32)cc1 7871961 OJTBZSQCTNABIS-IBGZPJMESA-N 388.489 2.724 0 40 GFAB Cc1ccccc1OCC(=O)N1CCN(C(=O)COc2ccccc2C)[C@@H](C)C1 96319380 QMDSCSXPSKBUKW-IBGZPJMESA-N 396.487 2.821 0 40 GFAB CO[C@H](CNC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C(C)(C)C 73150531 OYSSBSGSCLENPC-GOSISDBHSA-N 375.513 2.960 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7979667 RPMYFECMUKMBGP-VQHVLOKHSA-N 392.455 2.984 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 19889900 YJXDCYFODFWQFP-HZPDHXFCSA-N 378.513 2.786 0 40 GFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccsc2)no1 8185251 QWYSBPRYZFEBCI-SFHVURJKSA-N 382.401 2.528 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl 408620934 KLMBXMJUFLBDKS-UHFFFAOYSA-N 381.837 2.550 0 40 GFAB Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 69175773 CWHIPBVBVYQRAF-QGZVFWFLSA-N 397.450 2.653 0 40 GFAB O=C(CSc1nnnn1C1CC1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 70039853 XVBPPFISMYQPTM-AAEUAGOBSA-N 383.399 2.791 0 40 GFAB O=C(COc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 8753292 QMFWVODVNDXWLD-UHFFFAOYSA-N 394.518 2.618 0 40 GFAB O=C(Nc1cccnc1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 95461253 RRXUUDFVIONELU-UHFFFAOYSA-N 375.310 2.863 0 40 GFAB CN(C(=O)Nc1nnc(Cc2cccc(F)c2)s1)C1(CCO)CCOCC1 95945367 GKZNTHBEHZMBDK-UHFFFAOYSA-N 394.472 2.663 0 40 GFAB COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 409382346 SFZOCBOTQOQDNW-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB Cc1ccc(Cn2ccn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2=O)cc1 8588255 ASRILCSWNISSPD-UHFFFAOYSA-N 391.471 2.931 0 40 GFAB COc1ccc(NC(=O)COc2cc(C(=O)O)cc(C(=O)O)c2)cc1Cl 217728624 MDRSXTHGXFLGDH-UHFFFAOYSA-N 379.752 2.763 0 40 GFAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(CO)o2)n1 35424882 DBBIMAVKMXWBIX-KRWDZBQOSA-N 399.451 2.612 0 40 GFAB biogenic,in-vitro O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1cccc(-n2cnnn2)c1 72346533 HNEJHRWDKGNBLI-UHFFFAOYSA-N 377.404 2.590 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3s2)C1 49030575 BERNHZGEZUJZDY-GFCCVEGCSA-N 399.476 2.529 0 40 GFAB CS(=O)(=O)c1csc(C(=O)N2CCNC[C@H]2c2ccccc2Cl)c1 564721651 AJEXYLMKBRQRQB-AWEZNQCLSA-N 384.910 2.592 0 40 GFAB Cc1cc(S(=O)(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)sc1C(=O)O 572373442 NASPXFFPHTZMLJ-GFCCVEGCSA-N 380.447 2.507 0 40 GFAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225959610 WFGSXCAWCNCVSR-UHFFFAOYSA-N 394.880 2.791 0 40 GFAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 224899464 QBOPRTWOBAXKCB-UHFFFAOYSA-N 376.434 2.565 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 247502850 QLHHWEITWDYDSE-GNVZTASGSA-N 391.471 2.695 0 40 GFAB c1cc2c(cc1CN1CC3(C[C@H](OCC4CCOCC4)CCO3)C1)OCO2 248338836 RZSAOZHTMUYTBY-GOSISDBHSA-N 375.465 2.592 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccccn2)[C@@H]1c1ccccc1OC 257272753 NDSTWCXBEPXOLN-NQIIRXRSSA-N 381.476 2.749 0 40 GFAB Cc1cc(Nc2cccc([C@H]3CN(S(=O)(=O)c4ccccc4)CCO3)n2)[nH]n1 257310801 UGQGFMRPJQLLQA-QGZVFWFLSA-N 399.476 2.619 0 40 GFAB CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)C[C@@H]1CCCCC1(F)F 660150568 JRZXQVIPLDNJAQ-HOTGVXAUSA-N 394.528 2.717 0 40 GFAB CO[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccnn2CCc2ccccc2)C1 585114066 UCFGLOIUIFWLJL-LJQANCHMSA-N 397.500 2.892 0 40 GFAB CCOC(=O)c1[nH]c2c(I)cccc2c(=O)c1Cl 685936978 GOFLZLVANREHHV-UHFFFAOYSA-N 377.565 2.963 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)CC2)c(C)o1 55807561 VAWQEZFOYBBCSB-UHFFFAOYSA-N 384.432 2.915 0 40 GFAB COc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3CCS(C)(=O)=O)c2c1 552807532 KGIKWNZPUSUBCQ-OAHLLOKOSA-N 378.494 2.535 0 40 GFAB CC(C)c1ccnc(N2CCN(C(=O)c3ccnc(N4CC[C@@H](C)C4)c3)CC2)n1 681005072 BFTHTBDHCMJOME-QGZVFWFLSA-N 394.523 2.804 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615153539 BZDXATMZCVMEKT-JOCHJYFZSA-N 398.434 2.873 0 40 GFAB CCc1nn(CC(=O)N[C@@H](C)c2ccccn2)c(=O)c2cc3sccc3n12 12088757 WYEJXTQZOFLLFO-LBPRGKRZSA-N 381.461 2.546 0 40 GFAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C[C@H](C)n2cncn2)cc1 12145701 VRWAPXVDDHADAJ-KSSFIOAISA-N 380.452 2.617 0 40 GFAB CCCCc1c(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C)nc1O 13407919 ARYVQJZJPKLYDU-UHFFFAOYSA-N 378.454 2.652 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)cc(C(=O)OC)c1 14256912 NHAFEMPPDSVOLR-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1N1CCOCC1)CS2 15324443 KNBTVKAUDPFGCT-YJBOKZPZSA-N 395.912 2.569 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 15638343 PPRJQSMZGVYSAD-HNNXBMFYSA-N 384.432 2.865 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19520075 NEUVKPOOECPARE-LJQANCHMSA-N 394.475 2.757 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 19583479 QNYOUHAGXACCQE-UHFFFAOYSA-N 382.493 2.970 0 40 GFAB CN1CCN(c2cc(C(=O)Nc3ccccc3CN3CCCC3)ccn2)CC1 19662566 SSSBTVZMUAPJIL-UHFFFAOYSA-N 379.508 2.682 0 40 GFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1 19692660 UCDFNAPHSHDARK-IBGZPJMESA-N 396.470 2.656 0 40 GFAB CCn1ncc(NS(=O)(=O)c2cc(C(=O)O)sc2C)c1C(F)(F)F 524230183 RKTJYKPLJGUBJP-UHFFFAOYSA-N 383.373 2.791 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@@H]12 248048310 AKSMCYXVBDZJRK-ZCTIPADRSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CCc2sc(Cl)cc21 574656428 RFICWRQGTNLYLG-CQSZACIVSA-N 399.944 2.569 0 40 GFAB Cc1nc(N2C[C@@H]3CCC[C@]3(COc3ncc(F)cn3)C2)c2ccncc2n1 1888910673 MWHRWYYQXCMAQK-VBKZILBWSA-N 380.427 2.948 0 40 GFAB O=C(NCc1ccccc1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888982128 PMKIBOHHULHQJN-UHFFFAOYSA-N 389.459 2.881 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](COc2ccncc2)C1 1889211553 MKOHRNQJANATFA-CQSZACIVSA-N 380.441 2.709 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 244970231 HOQQBYRPQQDRPG-OAHLLOKOSA-N 396.422 2.847 0 40 GFAB Cc1cccnc1CN1C[C@@H]2OCCCCNC(=O)c3ccccc3O[C@@H]2C1 2037985205 BFYDZIUEAXYJLA-LEWJYISDSA-N 381.476 2.562 0 40 GFAB COc1ccnc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037988525 RAMIZDRKDLOWHQ-QFIPXVFZSA-N 395.459 2.519 0 40 GFAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@H](N3CCCC3)CS2)C1 2056224084 CWKKRAGYNNFPNB-ZDUSSCGKSA-N 395.575 2.641 0 40 GFAB C[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@]12CCN(c1ccsc1)C2=O 1614939084 QZTVMLZSHOTCTB-JLTOFOAXSA-N 380.473 2.911 0 40 GFAB Cn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)ccc1=O 10324936 WWDRBZCMBQKULH-UHFFFAOYSA-N 381.866 2.963 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2cc(N3CCCCC3)ncn2)cn1 49411220 HIAJGBCTBZAWFQ-UHFFFAOYSA-N 392.419 2.634 0 40 GFAB CCn1ccc2ccn(CCNC(=O)c3ccc(C(F)(F)F)nc3)c(=O)c21 575615527 DOBBFIRASKXBMN-UHFFFAOYSA-N 378.354 2.667 0 40 GFAB COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 77184873 OUUIBZZXZZBSOZ-HXUWFJFHSA-N 390.867 2.705 0 40 GFAB O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1 40268023 JNVAFRDRHBDWHK-UHFFFAOYSA-N 395.488 2.759 0 40 GFAB Cc1c(N/C=C2\C(=O)N(C)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 100271274 OPRUTZFTQOJNMA-AQTBWJFISA-N 388.427 2.550 0 40 GFAB COc1ccc(CNC(=O)c2nc(COc3ccc(NC(C)=O)cc3)no2)cc1 20736134 SOXXVSOTULDCKX-UHFFFAOYSA-N 396.403 2.546 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1C 102401750 PVPRATYXKQTLJI-BETUJISGSA-N 392.477 2.737 0 40 GFAB COc1ccc([C@@H](CNC(=O)COc2cc(C)ccc2C)N2CCOCC2)cc1 33026006 QSCUVAIJHDHAEW-OAQYLSRUSA-N 398.503 2.881 0 40 GFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccnc1N1CCCC1 22144622 IBKGMLRLBRFXRK-UHFFFAOYSA-N 375.436 2.923 0 40 GFAB CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 1324728 BWWKJLSYNZXXGM-GOSISDBHSA-N 388.489 2.959 0 40 GFAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)NCc1ccccc1 3229952 VNWJDDICGNRNLU-MRXNPFEDSA-N 383.429 2.991 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C)CC3)nnc12 3375827 OCOVNUVZCMEPHT-UHFFFAOYSA-N 399.520 2.805 0 40 GFAB COc1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 4419058 PNICOKAZLHFYED-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB Cc1[nH]c2ccccc2c1CCNC(=O)CCCNS(=O)(=O)c1ccccc1 4594028 LSAWDFWNBSVUTK-UHFFFAOYSA-N 399.516 2.894 0 40 GFAB O=C(NCCc1ccccc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 4792880 FLFGDKIPVFXQSK-UHFFFAOYSA-N 385.423 2.652 0 40 GFAB COc1ccc(N(C(=O)c2ccc(C)cc2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 5080726 RXVMKYCDYQPJQB-INIZCTEOSA-N 387.457 2.970 0 40 GFAB COc1cccc(-c2ccc3nnc(SCC(=O)Nc4cc(C)on4)n3n2)c1 5168115 QETRSJWWWHXSBP-UHFFFAOYSA-N 396.432 2.827 0 40 GFAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc21 5804924 XPAWJIBSPHFXQM-ZDUSSCGKSA-N 380.404 2.838 0 40 GFAB O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1ccc(Br)cc1 6231295 RDYHDLAQDHOKBP-LFIBNONCSA-N 387.233 2.559 0 40 GFAB CCN(C(=O)CSC1=Nc2ccccc2CS1)[C@@H]1CCS(=O)(=O)C1 6588298 PCWXTRRKVSFFBA-CYBMUJFWSA-N 384.548 2.690 0 40 GFAB CC(=O)NCc1ccc(C(=O)CSc2nnnn2-c2ccccc2C)s1 6608471 PMHMFBHQZGXMDC-UHFFFAOYSA-N 387.490 2.643 0 40 GFAB O=C(N[C@H](Cc1cnc[nH]1)C(=O)OCc1ccccc1)OCc1ccccc1 6628859 NSUWDHSSVSZBJZ-LJQANCHMSA-N 379.416 2.991 0 40 GFAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2cccc3ccccc23)s1 6817851 VWEDCVWBIZARSC-UHFFFAOYSA-N 390.490 2.974 0 40 GFAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O 6859844 GBWPGPPJQVRKKY-KRWDZBQOSA-N 383.473 2.966 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(I)cc1 7055350 HMJGJIGLZDSCJQ-UHFFFAOYSA-N 378.191 2.697 0 40 GFAB CC(C)OCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 7866807 UQXKATYEUCKXIR-UHFFFAOYSA-N 383.400 2.982 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)ccc1C 8127746 MIBVWAJXIBWVJG-UHFFFAOYSA-N 398.488 2.958 0 40 GFAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC[C@@H]1CCCO1 8940875 QRZDZAIMXBEZIB-ZFWWWQNUSA-N 399.516 2.903 0 40 GFAB CC[C@@H](Sc1nnc(NC(C)=O)s1)C(=O)Nc1nnc(C(C)C)s1 9227587 NDPPAGKRLOYDET-MRVPVSSYSA-N 386.528 2.981 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(SC)c2)Oc2ccccc21 10009158 MOLUYIMGZFTQDC-KRWDZBQOSA-N 392.502 2.964 0 40 GFAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10233471 IMNDSDYIXJBWSZ-OAHLLOKOSA-N 379.464 2.723 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 10548753 RZGWWJXZKTVBCZ-AWEZNQCLSA-N 394.880 2.579 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3nnnn3-c3ccccc3)c12 10889132 MRGZDKOCNRZUBJ-UHFFFAOYSA-N 376.376 2.741 0 40 GFAB COc1cccc(CN(C)CCC(=O)NC(=O)NCc2ccccc2)c1OC 11292916 SBNUOCSMCGAHNG-UHFFFAOYSA-N 385.464 2.552 0 40 GFAB O=C(CNC(=O)c1ccccc1F)Nc1nc2cc3c(cc2s1)OCCO3 11751999 ZKSJIQKLQQFCRJ-UHFFFAOYSA-N 387.392 2.575 0 40 GFAB Cc1ccc(Oc2ccc(CNC(=O)[C@H]3C=CCN3S(C)(=O)=O)cc2)cc1 12205257 DPTMUZPZGYLSFI-LJQANCHMSA-N 386.473 2.604 0 40 GFAB Cc1nn(CC(=O)N2CCCc3ccccc32)c(=O)c2c1cnn2-c1ccccc1 12227864 YYTCIQSYPLRCJH-UHFFFAOYSA-N 399.454 2.870 0 40 GFAB CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1 12228451 MLJVOEGSIISTBG-CQSZACIVSA-N 395.463 2.925 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC(CCc3ccc(C(=O)O)cc3)CC2)cn1 12325346 PSXJYVHBKIKUQO-UHFFFAOYSA-N 391.493 2.635 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Br)cc2)[nH]1 12507492 OUZNCXBWYFFFNU-QMMMGPOBSA-N 383.271 2.775 0 40 GFAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)CN1CCOCC1 12520407 KFYFJOPULOWEAZ-MSOLQXFVSA-N 381.476 2.869 0 40 GFAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 12536311 GZJQDZYXJKMNPV-UHFFFAOYSA-N 388.898 2.829 0 40 GFAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCc1ccc2c(c1)OCO2 12778116 DTORZMKKNXEKEE-UHFFFAOYSA-N 394.475 2.914 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1 12915157 VZTOYNFKEGVSQC-UHFFFAOYSA-N 381.457 2.656 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O 13040407 SCNYGJFYWRPISG-NRFANRHFSA-N 397.479 2.784 0 40 GFAB O=C(NCc1ccccc1F)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 14789830 VFKVHSHGYOAJQH-OAHLLOKOSA-N 382.391 2.531 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccc(Cl)cc1Cl 15304031 SUDJCVZYRHYKAO-OKILXGFUSA-N 381.259 2.951 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccco3)CC2)cc1 15617811 WONJFSSDTIBRER-UHFFFAOYSA-N 376.478 2.647 0 40 GFAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)CC1 16588701 UHHZQFBXACPHAZ-INIZCTEOSA-N 387.505 2.845 0 40 GFAB COc1ccc(C(=O)NC(NCCCn2ccnc2)=C(Cl)Cl)cc1OC 16742094 DEWMPUVVMZTHFF-UHFFFAOYSA-N 399.278 2.914 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)Cc3ccc(Cl)cc3)n2)cc1 16954744 DNNDAXLFRZBCBL-UHFFFAOYSA-N 397.862 2.931 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 18048673 DSBNBHFTNXEOAP-MRXNPFEDSA-N 392.459 2.878 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1F)C2 19017355 BQLDZWPHDASUOI-HXUWFJFHSA-N 396.466 2.817 0 40 GFAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19083778 VSLKQXQKOOUGNC-MRXNPFEDSA-N 382.512 2.521 0 40 GFAB O=C(NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21)c1ccncc1 19345101 NGUHDINXOQJYKC-UHFFFAOYSA-N 379.313 2.984 0 40 GFAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19556795 OQLDYGGEGQEGRY-VLIAUNLRSA-N 396.539 2.586 0 40 GFAB COc1ccc(CC(=O)NCc2ccc(-c3ccnc4ncnn34)cc2)cc1F 19559613 YJZUPWCJSZCQJD-UHFFFAOYSA-N 391.406 2.798 0 40 GFAB NC(=O)[C@@H]1CCCN1[C@H](C(=O)O)c1c[nH]c2ccc(OCc3ccccc3)cc12 20715698 QPDFYGBRIGZVIP-PMACEKPBSA-N 393.443 2.822 0 40 GFAB COCCNC(=O)NC(=O)CN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 20809134 FCYJQTPIHQFMPQ-UHFFFAOYSA-N 379.844 2.504 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 21023553 YQUJJBBIJQNVBN-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB Cc1ccc(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 24989037 JTRQUDYHPSUBAB-UHFFFAOYSA-N 393.534 2.709 0 40 GFAB O=C(CCN1CCN(c2cnccn2)CC1)Nc1cc(Cl)ccc1Cl 26170885 FNEIUYUSDVMMRJ-UHFFFAOYSA-N 380.279 2.934 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)/N=c1\sccn1Cc1ccccc1F 26385533 RJGSFCNWZBMUKR-UZYVYHOESA-N 383.404 2.772 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 29704484 KBRDVTGWEWOFRC-CYBMUJFWSA-N 384.432 2.845 0 40 GFAB Cn1cc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)c2ccccc21 32104836 WSUVOUVDCLTSJD-UHFFFAOYSA-N 385.851 2.757 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)nn3-c3ccccn3)C2)cc1 36353286 JCPMVFNCECCSHE-OAHLLOKOSA-N 391.431 2.576 0 40 GFAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 36354417 HBKOLDSBENLFCR-QGZVFWFLSA-N 392.415 2.869 0 40 GFAB COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc(C)c1C 36395675 ALMNDZBLGNVNFX-GFCCVEGCSA-N 376.434 2.732 0 40 GFAB CCn1nc(C)c2c(C(=O)Nc3cc(-n4cnnn4)ccc3Cl)cc(C)nc21 36616390 BZILIUZJNOHVQH-UHFFFAOYSA-N 396.842 2.949 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 48303001 JBQWWLCYJIOMLR-INIZCTEOSA-N 388.489 2.636 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC(c2nc(-c3ccccn3)no2)C1 49032124 USPDIXMFFQJLBA-UHFFFAOYSA-N 390.852 2.882 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2C1)[C@H]1CSCN1C(=O)c1ccccc1 55315202 XSNVUSQTBJJPNF-CRAIPNDOSA-N 382.485 2.569 0 40 GFAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCC[C@H](O)C1 56802145 GWPXNJWSEITJMV-INIZCTEOSA-N 386.414 2.920 0 40 GFAB COc1ccc(CCC(=O)NC[C@H](C)N2CCC(C)CC2)c(OC)c1OC 58180163 XRERZPNKCSAHAZ-INIZCTEOSA-N 378.513 2.882 0 40 GFAB CC(=O)Nc1nc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cs1 58201192 RDKXGDWKZJUXIM-CYBMUJFWSA-N 378.523 2.805 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1c(-c2ccccc2)noc1=O 60106984 BKAUNHUXKGDLHZ-UHFFFAOYSA-N 375.787 2.954 0 40 GFAB Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1CCSc2ccc(F)cc21 63876155 YBSWGFMIPSDFOB-NSHDSACASA-N 386.495 2.810 0 40 GFAB COc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)O)cc1 64589236 VWLOFQCQCHWMNX-UHFFFAOYSA-N 384.432 2.801 0 40 GFAB Cc1nccn1-c1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)nn1 70998292 WGLJEXUPOANMPC-UHFFFAOYSA-N 388.431 2.679 0 40 GFAB CCOC(=O)C[C@@H](C1=Cc2ccccc2O[C@H]1C)c1oc(CO)cc(=O)c1O 72324864 RFRUVWQTFZXPFT-LRDDRELGSA-N 386.400 2.739 0 40 GFAB biogenic COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3ccc(F)c(Cl)c3)ccc12 72452343 HZWCNFQRHRJBMR-UHFFFAOYSA-N 386.770 2.921 0 40 GFAB Cn1nc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n(-c2ccccc2)c1=O 77100563 FDGFTKGTEHJEQY-JUWJPQTCSA-N 388.471 2.990 0 40 GFAB O=C(Nc1ccc(Br)cc1F)[C@H]1CSc2nccc(=O)n2C1 90609901 CDGKMKDHJVLBNW-MRVPVSSYSA-N 384.230 2.506 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2cc(C)oc2C)c(C)c1 96097348 UHHCBKSKAJUSBC-QGZVFWFLSA-N 380.466 2.565 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4CNC[C@H]4c4ccccc43)ccc12 96157023 RYCBEPISICHVOH-HNAYVOBHSA-N 390.439 2.830 0 40 GFAB C[C@H]1[C@@H](C)N(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)OC(C)(C)C 97231115 NCNLSKFGCUTTIO-KGLIPLIRSA-N 391.468 2.955 0 40 GFAB CCO[C@@H](C)c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 97573145 VXYRJZHZYZNFIQ-VIFPVBQESA-N 379.214 2.688 0 40 GFAB O=C(Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)N1CCOCC1 98064889 ISZGPRWRJCLAJG-NTEUORMPSA-N 387.461 2.963 0 40 GFAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2ccccc21 100311356 LLNFQMWHPHQNOF-HNENSFHCSA-N 389.502 2.714 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc3c(c1)OCCCO3)C(=O)C2 101883152 QFPUKGJPAVMUNZ-ORAYPTAESA-N 379.478 2.985 0 40 GFAB O=C(NCCn1nc(-c2ccco2)n(C2CC2)c1=O)c1ccc2ncsc2c1 211074211 KRKQBIKTJIXIKL-UHFFFAOYSA-N 395.444 2.679 0 40 GFAB NC(=O)[C@H]1CCCN(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C1 215946642 FBVNHVLVJKHYPL-ISLQHJTJSA-N 383.330 2.834 0 40 GFAB Cc1cccc(C)c1N(CC(=O)NCCSC1CCCC1)S(C)(=O)=O 223067954 SINHGFHYPOLQCN-UHFFFAOYSA-N 384.567 2.861 0 40 GFAB C[C@H](C(=O)NCCOc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224008031 HMWNZODLMPMVFC-CQSZACIVSA-N 396.896 2.690 0 40 GFAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)c(C)c1 225418007 VMJQTIWBNCNNDV-KRWDZBQOSA-N 376.478 2.793 0 40 GFAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccsc3)C[C@@H]12 247502462 FXEJWHSMKKIATG-RTBURBONSA-N 376.547 2.926 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2ccccn2)Oc2ccccc21 247508050 RZRXQZIPABIJGK-CAAIWKOSSA-N 377.444 2.653 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(Cc2ccccc2)n1 408528082 QXYLHLSXNBKVMV-UHFFFAOYSA-N 382.445 2.913 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408618108 BYBQKJLLOVOFMP-PQTQVYOHSA-N 390.361 2.697 0 40 GFAB CCCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)c1C 502456319 IXMADRXDQUBNRT-UHFFFAOYSA-N 394.435 2.976 0 40 GFAB CCC[C@]1(CO)CCN(C(=O)C2CCN(C(=O)c3ccc(CC)o3)CC2)C1 585085215 WXTTVKPJMJROSU-NRFANRHFSA-N 376.497 2.705 0 40 GFAB CC(C)(C)[C@H]1CC[C@](O)(CN2CC[C@@H]3[C@@H](CCCCN3CC(N)=O)C2)CC1 585284706 VJLBQEXHEHTEPC-PSHVLCQKSA-N 379.589 2.616 0 40 GFAB Cc1cc(N2CCC[C@H](NC(=O)c3ccc(Cn4cccn4)cc3)C2)nc(C)n1 596010206 UJBULALYEMULSP-FQEVSTJZSA-N 390.491 2.737 0 40 GFAB O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cncc(N2CCCC2=O)c1 629992418 RTPCCYQTLFBOKV-QAQDUYKDSA-N 379.464 2.757 0 40 GFAB CC(C)Oc1cncc(S(=O)(=O)N2CC[C@H](C(=O)O)c3ccccc32)c1 634794338 XPUQLTQLZYLQKU-INIZCTEOSA-N 376.434 2.636 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]2O1 1565550210 UPTWNHQPHDBLTC-UDSSINMLSA-N 397.519 2.792 0 40 GFAB COc1ccccc1CC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615160861 RGAQOLQXEUQRRY-UHFFFAOYSA-N 394.471 2.662 0 40 GFAB COCCn1cnc2c(N3CCN(c4ccc(F)c(Cl)c4)CC3)ncnc21 1888913284 AJCPFGCDBUYLOZ-UHFFFAOYSA-N 390.850 2.592 0 40 GFAB CC(C)n1nccc1NC(=O)CN1CCC[C@@](O)(COc2ccccc2)CC1 2037916198 USSVVVVUDCJFDN-NRFANRHFSA-N 386.496 2.699 0 40 GFAB CN(C1CCN(Cc2ccc(Br)cc2)CC1)S(=O)(=O)C1CC1 2086889378 PULDLJQRMSGWSX-UHFFFAOYSA-N 387.343 2.838 0 40 GFAB CN(C)C(=O)COC1CN(C(=O)Nc2ccccc2SCC(F)(F)F)C1 79067656 PYJWMYSRAPNGOM-UHFFFAOYSA-N 391.415 2.662 0 40 GFAB Cc1c(CCC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 2152504 XZPIZMLYRLBCTP-HNNXBMFYSA-N 375.421 2.664 0 40 GFAB biogenic COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)ccc1O 812822 LEDIBUPPWRXPEM-LJQANCHMSA-N 382.416 2.815 0 40 GFAB CCCCC[C@H](C)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3233737 ZTLRQTUZCYPODC-HNNXBMFYSA-N 399.582 2.963 0 40 GFAB COc1cc2c(cc1NC(=O)CCn1nc(O)ccc1=O)oc1ccccc12 23132117 UCKQPGYFGITDDS-UHFFFAOYSA-N 379.372 2.886 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)c1 7940143 MCOMPUVGBKOXCQ-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1O[C@@H](C)C(=O)N(C)C 24079765 LZERYRXTQAWGAU-DJJJIMSYSA-N 383.448 2.795 0 40 GFAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1 106756623 GNHZSELJKHBYOB-WJDWOHSUSA-N 390.461 2.753 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN(C)C)cc2)cc1 10111425 RYLSFSZDHNHGAP-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB C[C@@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H]2C[C@@H]1C2(C)C 109024634 QNHJMTKJDFGIIU-YXWQFLTLSA-N 397.493 2.528 0 40 GFAB C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)N(C)C)cc1 55829214 DYWQRBVUVDPTNI-HZMBPMFUSA-N 379.309 2.698 0 40 GFAB C[C@H]1CN([C@H](CNC(=O)COCC2CC2)c2c(F)cccc2Cl)CCO1 106860865 BOCZMGVFFJUYNU-SUMWQHHRSA-N 384.879 2.784 0 40 GFAB CN1CCC[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 3258745 JNAMRJDPCZSRLM-QGZVFWFLSA-N 380.510 2.502 0 40 GFAB C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl 26281146 UGCVPFPYJCCSNB-SNVBAGLBSA-N 394.324 2.778 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NC[C@H](O)c2ccccc2F)c1 58209065 RBHJWFIOCHQDPJ-HNNXBMFYSA-N 386.832 2.738 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 12752230 NKRLRPBIRYCDAQ-UHFFFAOYSA-N 397.500 2.931 0 40 GFAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)n1N 2265457 KEYNOTNYCRDMBJ-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB Cc1ccn(C(=O)CN2C(=O)c3ccccc3C2=O)/c(=N/C2CCCCC2)c1 10799586 FSUMSRCDOSNTID-FCDQGJHFSA-N 377.444 2.966 0 40 GFAB CC(C)(C)C(=O)N1CCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 10783368 BCIXRCYSUVMPIW-UHFFFAOYSA-N 399.535 2.692 0 40 GFAB C[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCn2cnc3ccccc32)C1 48354530 WDILYIXRQIWVAJ-MJGOQNOKSA-N 398.532 2.791 0 40 GFAB CC1CCN(c2ccccc2CNS(=O)(=O)c2cnn(C(F)F)c2)CC1 36614843 OELQCOMAXFNQEA-UHFFFAOYSA-N 384.452 2.993 0 40 GFAB CCOC(=O)[C@@H]1CC(=O)[C@H](c2cccc(Cl)c2N2CCN(C(C)=O)CC2)C1 57328103 IXOLELMXQSNFFS-HOCLYGCPSA-N 392.883 2.634 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 60671097 ZOACULVXWPDTGN-XDOYNYLZSA-N 379.441 2.978 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2=O)c1 12927827 LTMWCQZJQMQCLN-HNNXBMFYSA-N 393.443 2.579 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ncccn1 27936138 DBCAPFSZMFREAD-SSDOTTSWSA-N 378.152 2.963 0 40 GFAB CCS(=O)(=O)c1ccc(S(=O)(=O)NC2(c3ccc(F)cc3)CCC2)cc1 63347086 WQKSILJRVGZFJU-UHFFFAOYSA-N 397.493 2.977 0 40 GFAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc(C)nc1 39547723 XJYVLTACJQWEMA-UHFFFAOYSA-N 383.448 2.733 0 40 GFAB CC(=O)N[C@@H](CC(=O)OCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 4219835 GHQADNJNJKXGSJ-SFTDATJTSA-N 394.471 2.991 0 40 GFAB COC(=O)C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(OC)c(OC)c1 14015859 NVZZEHKIEQZAPR-MRXNPFEDSA-N 391.395 2.642 0 40 GFAB Cc1ccc(C(=O)NCc2nnc3ccccn23)cc1NC(=O)c1ccco1 14182946 QAWPMCKBWDFBHT-UHFFFAOYSA-N 375.388 2.813 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2nc3ccccc3s2)s1 14199207 FBTBECPMPHXEBQ-UHFFFAOYSA-N 396.515 2.807 0 40 GFAB C/C=C/C=C/C(=O)OCC1=C(C(=O)OCC)[C@@H](c2cccs2)NC(=O)N1 6497387 LZOWTNUVUDCCJW-URIPAYMISA-N 376.434 2.595 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1oc2ccc(Br)cc2c1C 4525589 PAYMKKDIZKEBSL-MRVPVSSYSA-N 383.198 2.505 0 40 GFAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(-c2cc3ccccc3o2)cc1 6657838 LHAYBVLNYLSXFS-UHFFFAOYSA-N 375.384 2.979 0 40 GFAB CCOc1ccc(C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)cc1 6810303 KVOYBDLVBJSOJO-INIZCTEOSA-N 377.462 2.816 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)NCc3ccccc3CN(C)C)CC2=O)cc1 6992899 ZLNJHXXHZZAWQS-HXUWFJFHSA-N 379.504 2.980 0 40 GFAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 5992177 OOQFNUBUAUSUTP-AWEZNQCLSA-N 389.473 2.928 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 8245907 IMKWYSKCXIOMTP-INIZCTEOSA-N 384.407 2.642 0 40 GFAB CC(C)c1nnc(SCc2cc(=O)n3ccsc3n2)n1C[C@H]1CCCO1 17080010 ILXUXACMCAWTAT-CYBMUJFWSA-N 391.522 2.942 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 408590937 HGEQKMVBBOEFBD-ZDUSSCGKSA-N 396.896 2.722 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 18266120 NVWVEVYXYRFDKA-LBPRGKRZSA-N 381.215 2.858 0 40 GFAB O=S(=O)(c1cc(NCc2cccc(F)c2F)ccc1F)N1CCOCC1 97058755 XFIKKGQFFLTCSB-UHFFFAOYSA-N 386.395 2.737 0 40 GFAB CN(CCCNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 72297082 PBMNOOGGVDTKGZ-NRFANRHFSA-N 385.483 2.842 0 40 GFAB CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(C)n2)cc1 95958353 OAYUBLPENUEGBZ-MRXNPFEDSA-N 391.518 2.682 0 40 GFAB Cc1ccc(Nc2cc(N3CCN(C(=O)c4ncccn4)CC3)nc(C)n2)cc1 62021848 SIIOFTLLVJSLNL-UHFFFAOYSA-N 389.463 2.589 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCNC[C@@H]2COc3ccccc3O2)cc1 28285527 BJZRYWHWAMDGRM-QGZVFWFLSA-N 384.432 2.622 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 408653233 DQPUODCXLILNCA-HNNXBMFYSA-N 382.416 2.620 0 40 GFAB Cc1ccc(NCCNS(=O)(=O)c2ccc(-c3csc(C)n3)s2)nn1 35597951 XKRPUKGENFBHDX-UHFFFAOYSA-N 395.535 2.669 0 40 GFAB O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 528170534 CVUQWXZCNILYDN-SFHVURJKSA-N 396.882 2.597 0 40 GFAB CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392241 QMDUIKBHUZXGAN-NSHDSACASA-N 379.309 2.919 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCC1=CCCCC1 33579858 FVZABBGDUUPKEE-HNNXBMFYSA-N 380.510 2.677 0 40 GFAB COc1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)c(OC)c1OC 30870934 CXVUKZFTNSGMLQ-UHFFFAOYSA-N 398.459 2.765 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCCNc1cc(N2CCCC2)nc(C)n1 38488293 KQCITTHXAQVHRK-UHFFFAOYSA-N 389.887 2.889 0 40 GFAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCCn1ccnc1 1548349490 LLMZSHSERQSTGE-UHFFFAOYSA-N 380.492 2.996 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCC1(N2CCOCC2)CCCCC1 32195522 PTQDCWYLHOHMGS-SFHVURJKSA-N 397.519 2.653 0 40 GFAB Cc1cc(Nc2nncs2)nc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72360014 BVXWGCVEPXMWLS-AWEZNQCLSA-N 381.465 2.795 0 40 GFAB CN(CCOc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 41648071 FKZZTEQXMGHTLX-UHFFFAOYSA-N 392.452 2.800 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222442310 IVIODTRRGZWJPW-OAHLLOKOSA-N 390.505 2.897 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccc(Cl)cc1 224146693 AMTHCQGKKSOSNW-UHFFFAOYSA-N 376.848 2.677 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cc1F 220870034 PYENZPSCSUSMGJ-CYBMUJFWSA-N 397.410 2.769 0 40 GFAB O=C(NC1CC1)c1ccc2ccc(N3CCN(C(=O)c4ccccc4)CC3)n2c1 96088322 SQPIUYBIAMLVBH-UHFFFAOYSA-N 388.471 2.794 0 40 GFAB Cc1ccc(NC(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1 96237797 MHOYZKIUOVXVFX-QFIPXVFZSA-N 378.476 2.950 0 40 GFAB CC(C)CCN1[C@]2(CCN(C(=O)c3cccnc3)C2)c2ccccc2S1(=O)=O 96143276 NYWYCVJKKVWAGG-NRFANRHFSA-N 399.516 2.873 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)C1 260504133 CUQNYQWGBFHGQX-PKOBYXMFSA-N 396.553 2.960 0 40 GFAB C[C@@H]1[C@H](OC(=O)CCC(=O)O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 64608163 FIHJKUPKCHIPAT-VYZICLRESA-N 384.425 2.602 0 40 GFAB biogenic Cc1[nH]ccc(=NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1Br 653543098 CKQKDLDMTWZWMQ-DVVUODLYSA-N 384.274 2.831 0 40 GFAB Cc1cnc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)s1 585291190 LLSJMVGDDZZRIV-LLYBFZRZSA-N 395.492 3.096 0 40 GFAB Cc1cc(Br)c(O)c(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 58405778 IVJLCDZIWJKMNP-GFCCVEGCSA-N 391.269 2.652 0 40 GFAB Cc1cc(I)ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100518028 HGECLFRJMUQNGK-TXFQPVFDSA-N 379.197 2.911 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 5351531 RKJZNKOUCZLKJL-CWRNSKLLSA-N 384.542 2.703 0 40 GFAB COC(=O)c1ccc(OCC(=O)N2CCCc3cc(OC)ccc32)c(OC)c1 11573218 WCMNMVHWJSVUMA-UHFFFAOYSA-N 385.416 2.849 0 40 GFAB COc1ccc(CCNCc2cc3ccc(C)cc3n3nnnc23)cc1OC 13998164 ABUIQCAXMHNHBM-UHFFFAOYSA-N 377.448 2.935 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 19078784 BJYDGOBOSGTUJJ-MGPUTAFESA-N 396.491 2.604 0 40 GFAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)C(C)C)C2)on1 19122026 CJGRPAYATOCVLR-INIZCTEOSA-N 399.495 2.639 0 40 GFAB Cc1ccccc1CC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(COCCC(=O)N2)C1 19237094 KPVAMOMLKPDSJW-CVDCTZTESA-N 396.462 2.578 0 40 GFAB O=C1C[C@@H](C(=O)N2CCCC[C@@H]2CN2CCCCCC2)CN1Cc1cccnc1 19338779 SPQMOLBGUTZBLL-NHCUHLMSSA-N 398.551 2.687 0 40 GFAB CCc1ncc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cn1 19523350 JTTGJPHSOZGMJV-UHFFFAOYSA-N 379.552 2.821 0 40 GFAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 19593538 OFODWZCGLXLPJN-GOSISDBHSA-N 394.475 2.979 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N(C)C)n[nH]1 19665307 IEAAGKLMQKVEDU-GOSISDBHSA-N 386.887 2.805 0 40 GFAB COCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 19700501 VVZACDVZEWONID-UHFFFAOYSA-N 384.451 2.776 0 40 GFAB Cn1cc(C(=O)N2CCCCC[C@H]3N[C@H](Cc4ccccc4)C[C@@H]32)ccc1=O 19712965 UIQUBKCBVSJDMJ-NJYVYQBISA-N 379.504 2.743 0 40 GFAB O=C(Nc1onc2c1CCCC2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 8976697 XUXUPEBBQATBJW-LBPRGKRZSA-N 395.506 2.654 0 40 GFAB O=C(CCSc1ccccc1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 252500350 SSSXZTFPZGYNRZ-UHFFFAOYSA-N 398.532 2.686 0 40 GFAB Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Cl)cc1 3404817 OMMNOZJSIDZPFL-UHFFFAOYSA-N 384.852 2.990 0 40 GFAB CSc1ncc(C)c(OCC2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)n1 1888863732 CMIKFFCOVPQUFC-MRXNPFEDSA-N 378.542 2.607 0 40 GFAB FC(F)(F)c1cccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 1888900800 GMGIRNARZCKQKI-UHFFFAOYSA-N 389.385 2.902 0 40 GFAB CC(C)(C)OC(=O)NCCCNC(=O)c1cccnc1O[C@@H]1CCSC1 244983802 IRRFTYGGCRCQCK-CYBMUJFWSA-N 381.498 2.611 0 40 GFAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)N[C@H](Cn1nccn1)c1ccccc1 245026585 NBMUPNLLVDPCOC-HXUWFJFHSA-N 390.422 2.838 0 40 GFAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S@](=O)C3)cc1 4105699 HJKVKSDIJFPWIT-MUUNZHRXSA-N 395.440 2.924 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)c1 4326115 AVPGRESQFWRHLD-UHFFFAOYSA-N 395.390 2.827 0 40 GFAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3OC)c2=O)cc1 4484298 MDHQZYNGPNPYNB-UHFFFAOYSA-N 397.456 2.981 0 40 GFAB O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 5298896 MWMZADWXEONCLE-QMMMGPOBSA-N 377.900 2.650 0 40 GFAB O=C(/C=C/c1cccs1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782115 OMKBJUZBAMKZSK-VOTSOKGWSA-N 384.505 2.502 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)NCC1CCN(Cc2ccco2)CC1 23127679 HKVANNJOCFYZGN-UHFFFAOYSA-N 378.494 2.787 0 40 GFAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 585264490 UDZMQKZFDCUGHS-CQSZACIVSA-N 388.327 2.806 0 40 GFAB COc1cccc(NC(=O)CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298120552 AGCUNKHXNMXXJD-HNNXBMFYSA-N 395.450 2.603 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4)[C@@H]3C2=O)cc1Cl 100036729 OJUPUFGIEMIFIK-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)[C@H](O)c1ccccc1 40120864 PASMLQNVVWHOBQ-WIYYLYMNSA-N 397.523 2.715 0 40 GFAB COc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc(OC)c1OC 20427296 QZSOJOIIGOOWRR-KXBFYZLASA-N 384.432 2.871 0 40 GFAB CN(c1ccccc1C(=O)N[C@H]1CCCOc2ccc(F)cc21)S(C)(=O)=O 53368853 RGTKYSDQKFKQII-INIZCTEOSA-N 392.452 2.865 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 674063 SYDCGBAPLDMRAE-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1ccc(Cl)cc1Cl 8990649 ZEKHMJYNGRJSFJ-OAHLLOKOSA-N 394.262 2.519 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 22805417 HQSXKZGMXJVOML-UHFFFAOYSA-N 393.487 2.580 0 40 GFAB C[C@@H]1CCN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)c2ccccc2S1 23044970 DOFMNYVGTBEKMX-CYBMUJFWSA-N 384.457 2.860 0 40 GFAB O=C(O)[C@@H](c1ccccc1)C1(O)CCC(O)([C@H](C(=O)O)c2ccccc2)CC1 1734040 WUSODLUXVMKGLC-OTXOEQGISA-N 384.428 2.759 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccccc3)CC2)c1C 23468230 BHPKCEBMYMPSRR-KRWDZBQOSA-N 383.492 2.807 0 40 GFAB COCCCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O 4160907 JOBQSZATNOGPBD-UHFFFAOYSA-N 397.500 2.842 0 40 GFAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 47704844 LKHVXEXCTIGAKH-OAHLLOKOSA-N 385.430 2.512 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)COC(=O)c1cc2ccccc2c(=O)[nH]1 24174198 LAOYNVBVNNWMRR-UHFFFAOYSA-N 384.819 2.997 0 40 GFAB COc1cccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1 4895550 OCEBOTRNDSRKQX-UHFFFAOYSA-N 383.427 2.855 0 40 GFAB CCN(CC)C(=S)SNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6373235 YYJNHOYFXPERPJ-UHFFFAOYSA-N 397.551 2.964 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCCSc1ccccc1 7287550 JRWYDFKLXUKGDM-UHFFFAOYSA-N 375.494 2.540 0 40 GFAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1 8475900 XMPYEHWVUYEDRR-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3cccc(Cl)c3)[C@H]2C1 107816173 AKWXQHJNYDUQSE-HKUYNNGSSA-N 376.909 2.986 0 40 GFAB O=C(Nc1ccncc1O)c1cccc(S(=O)(=O)NCc2cccs2)c1 95394592 OWZOEUYZHZFJEJ-UHFFFAOYSA-N 389.458 2.580 0 40 GFAB CC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(C)C 3256210 WQFXZOVYHJHYJJ-QGZVFWFLSA-N 399.447 2.663 0 40 GFAB CC(=O)c1ccc(N(S(C)(=O)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 3268762 KPZQSGYTPXCIJR-UHFFFAOYSA-N 387.866 2.698 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC[C@H]1CCCO1 3249470 LWCIYQJTWAHXOY-QGZVFWFLSA-N 395.488 2.717 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)NCc2nc(-c3ccccc3)cs2)C1=O 36392028 CKGJKCBZROUWIZ-UHFFFAOYSA-N 386.477 2.537 0 40 GFAB CN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cccs1 3362364 XTHYDENEYVLPNJ-UHFFFAOYSA-N 389.296 2.770 0 40 GFAB Cc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1Br 27970071 NOQVWDWDGOOGFN-UHFFFAOYSA-N 378.270 2.783 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 11362394 SCIPPHSBJTVWSQ-UHFFFAOYSA-N 391.474 2.745 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)NCc1ccco1 2663773 ZYAATRKQZTZPQE-ZHACJKMWSA-N 379.416 2.955 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 20019629 QDPMHHXHKWPCOZ-CQSZACIVSA-N 394.468 2.598 0 40 GFAB Cc1cc(C)n(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)n1 12923139 OGXUTFCYUMYQON-UHFFFAOYSA-N 385.493 2.975 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2nc(CCCO)nc2N1 4151229 VSXLOYDAPKBHNN-IBGZPJMESA-N 390.447 2.526 0 40 GFAB CC(C)=C[C@H]1[C@@H](C(=O)NCCS(=O)(=O)N2CCc3ccccc32)C1(C)C 65496087 KLHZQSKZVUIREO-WMZOPIPTSA-N 376.522 2.734 0 40 GFAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCN(C)C)c(=N)c32)cc1 5345579 ZBRXGVMTEFOXCY-IBGZPJMESA-N 392.459 2.924 0 40 GFAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1cccs1 14160611 AKFUKBNRHXMYNK-UHFFFAOYSA-N 393.515 2.716 0 40 GFAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 9377140 RGXBCDACJGQSMZ-UHFFFAOYSA-N 398.400 2.542 0 40 GFAB COc1ccc(C(=O)OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1OC 6652747 YRVLFEWTPHKTPY-UHFFFAOYSA-N 395.419 2.880 0 40 GFAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 9418474 MPFJWUOFCHWNER-ZWKOTPCHSA-N 388.514 2.970 0 40 GFAB CN(C)S(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1Cl 15789525 BTQMPQCWLYQOQO-UHFFFAOYSA-N 384.860 2.702 0 40 GFAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1Cl 19819782 BJJSEJZSFOARTG-QGZVFWFLSA-N 388.851 2.872 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 7623809 FAMOYKJGSSOQIS-CQSZACIVSA-N 395.411 2.972 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 7990485 RNOKQKMDQOMJBS-UHFFFAOYSA-N 398.406 2.726 0 40 GFAB Cc1nc(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c(C(N)=O)c(C)c1C 8735194 BDTVUCAWSUXXFK-ZDUSSCGKSA-N 375.498 2.575 0 40 GFAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 306145110 ZYKYTVFMTKOQFP-PZJWPPBQSA-N 383.517 2.750 0 40 GFAB CCCN(CCO)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 89958921 GLVHPMDHUYVWST-UHFFFAOYSA-N 376.478 2.640 0 40 GFAB Cc1nn(Cn2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)c(C)c1Cl 28233401 QOXPCMCUJHPITE-UHFFFAOYSA-N 392.935 2.895 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(F)c(Cl)c1 20108880 HUXCMFVGIPAEGU-UHFFFAOYSA-N 388.823 2.701 0 40 GFAB CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc1Cl 515699487 XKXZTWWNPMVZGI-UHFFFAOYSA-N 396.852 2.815 0 40 GFAB Cc1nc(-c2ccc(CNS(=O)(=O)c3c(C)nn(C)c3C)cc2)cs1 531385563 SMKIULUSEYRINI-UHFFFAOYSA-N 376.507 2.947 0 40 GFAB CC[C@H](NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O)c1ccccc1 216427298 DXTXDFXFWSCYTD-IBGZPJMESA-N 388.489 2.923 0 40 GFAB COCCC(=O)N1CCC(c2nccnc2Oc2ccc(NC(C)=O)cc2)CC1 72362380 LNSVOBALMRCKEE-UHFFFAOYSA-N 398.463 2.970 0 40 GFAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(-c2ccco2)on1 38679601 DHBVGTLXMALFQG-PWSUYJOCSA-N 375.406 2.671 0 40 GFAB COc1ccc(C2=NN(C(=O)c3cccc(O)c3)[C@](O)(C(F)(F)F)C2)cc1 32100933 KZCKTHACLXYGRF-QGZVFWFLSA-N 380.322 2.902 0 40 GFAB Cc1nn2c(nnc3c(=O)n(CCN(C)C)ccc32)c1-c1ccc(Cl)cc1 40395969 GGQOLVIPLPYXSI-UHFFFAOYSA-N 382.855 2.630 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)(C)C)C1 226089465 PNFLVMWUIZOKQD-OAHLLOKOSA-N 382.526 2.567 0 40 GFAB O=C(Nc1ccccc1-n1ncc2c(O)ncnc21)c1cc(-n2cccc2)ccn1 564682191 ULTGHAHXOYFWSD-UHFFFAOYSA-N 397.398 2.959 0 40 GFAB C[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 223703057 FCLKOFGIMVZSAQ-CQSZACIVSA-N 380.897 2.853 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3)ccc21 225699119 WICLJPWGGQQTOM-ZDUSSCGKSA-N 392.502 2.829 0 40 GFAB CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl 48341240 SYQNGPDWKDOFDP-UHFFFAOYSA-N 396.384 2.888 0 40 GFAB CCc1ccccc1N(CC(=O)NCCOc1cccc(C)c1)S(C)(=O)=O 223630311 OUHKOCDYCKCTAI-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223125316 UPYIGIVFUPXPMH-IRXDYDNUSA-N 388.562 2.756 0 40 GFAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225688198 JQPCWBACNKDNSO-NRFANRHFSA-N 392.496 2.704 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc23)cn1C 225697008 LLPKXBXBLMSUOD-CQSZACIVSA-N 379.507 2.770 0 40 GFAB CN(C)C(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc1O2 96053138 ZGCNWTMVUOWNGI-QGZVFWFLSA-N 385.508 2.985 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2(c4cccc(F)c4)CCCC2)[C@H]3C1=O 248169870 RISPHMWWMLWOKF-CROMWVBPSA-N 398.478 2.902 0 40 GFAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1csc(C)n1 257327894 XDFDDNZCQIRCCB-OPNNQBFTSA-N 379.526 2.502 0 40 GFAB CC(C)Oc1ccc(-c2noc(CN3CC(=O)N(C)C3=O)n2)c(C(F)(F)F)c1 624504775 JHKPNBVKYCZQKG-UHFFFAOYSA-N 398.341 2.937 0 40 GFAB CN1C[C@@H](CNC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1=O 666763646 LTGLABZWUJVPAN-OAHLLOKOSA-N 381.879 2.875 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc3C2)cc1Cl 90611552 NMNJQMDPCAYKAX-GOSISDBHSA-N 381.881 2.547 0 40 GFAB O=S1(=O)CC[C@@H](NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)C1 575424848 PDGQXHGJWOOBLI-LLVKDONJSA-N 387.939 2.937 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C)c3)no2)c1=O 823024279 LSFPIBKYLRTJFF-UHFFFAOYSA-N 376.416 2.980 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)o1 29371510 YZVKALCHPWQTLU-BXUZGUMPSA-N 376.434 2.555 0 40 GFAB Cc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCSCC2)n1 169768855 RNQRZXMJQCBZJO-UHFFFAOYSA-N 387.534 2.625 0 40 GFAB CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2)CC1 48354441 IDOOLYRGWJOXIU-QFIPXVFZSA-N 393.531 2.692 0 40 GFAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(I)cc1 20138340 FKWUWDMMVUSSLF-UHFFFAOYSA-N 383.141 2.947 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCCC(C)C)cc1 12822837 GUWVJVWHHCMXKP-HNNXBMFYSA-N 382.526 2.841 0 40 GFAB COc1ccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 12861970 MNFNBRZWJVJECY-UHFFFAOYSA-N 383.473 2.694 0 40 GFAB O=C(NCc1ccco1)[C@@H]1Cc2[nH]cnc2CN1Cc1cc2ccccc2o1 15676306 NZYCSIZRPYYPDH-IBGZPJMESA-N 376.416 2.992 0 40 GFAB biogenic,in-vitro O=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19369317 DMJRLICNUHHUCB-FQEVSTJZSA-N 394.519 2.923 0 40 GFAB Cc1nc2ccc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)cc2nc1C 19664948 MUZSCPFOECWJMO-UHFFFAOYSA-N 395.463 2.686 0 40 GFAB CCn1ccc(C(=O)N2CCC[C@H](N(C)C(=O)c3cccc(OC)c3)CC2)n1 19749857 WIJWPCSDLCQAQJ-KRWDZBQOSA-N 384.480 2.679 0 40 GFAB COc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935643 LHOQAAIUGWISPX-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB COc1ccc(CN2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)c(C)c1C 12231798 CCRBXRJDMMNVGD-MBSDFSHPSA-N 393.487 2.885 0 40 GFAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 12667456 SCVNCEKSMWBJQX-QGZVFWFLSA-N 378.480 2.958 0 40 GFAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 11460035 JKYBNHBZCSABFS-CQSZACIVSA-N 376.412 2.658 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 16204231 PUIOFGSNWQTGLK-OAHLLOKOSA-N 376.478 2.940 0 40 GFAB CCS(=O)(=O)NC[C@H]1CCC2(CCN(Cc3cccc(C)c3)CC2)CO1 2056225534 PPQADTNHAVKREJ-LJQANCHMSA-N 380.554 2.696 0 40 GFAB Cn1c(=O)c2c(SCc3ccccc3F)nc(-c3ccco3)nc2n(C)c1=O 4139170 KCOZXQCXZFSQBO-UHFFFAOYSA-N 398.419 2.719 0 40 GFAB Cc1ccc(N2C[C@@H](NC(=O)NC[C@H]3COc4ccccc4O3)CC2=O)cc1C 4373257 YVSHQKAHOVLKCF-WMZOPIPTSA-N 395.459 2.548 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)c1 5189861 YRFWGJPHHRMLSW-AWEZNQCLSA-N 385.420 2.639 0 40 GFAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)cc1 5257241 IOVVFDZWKVZKGF-UHFFFAOYSA-N 381.461 2.901 0 40 GFAB Cc1c(Cl)ccc2sc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 13790463 DKVXBMBOHCJTRQ-JTQLQIEISA-N 387.914 2.868 0 40 GFAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc1 1775969401 OYMVZQGUHKONRP-GOSISDBHSA-N 396.491 2.553 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(Cl)ccc3O)C2=O)c1 101658376 JVTVTPLJDDLRCU-DHDCSXOGSA-N 385.807 2.885 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)NC1CCCC1 32825522 MCNXIAPENANJGF-UHFFFAOYSA-N 383.414 2.522 0 40 GFAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)N[C@H]2CCCCNC2=O)CC1 52522681 JKPFIFBXKRHPSJ-INIZCTEOSA-N 377.872 2.613 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NC(C)C)S(=O)(=O)c1ccccc1 2064968 PYCWSCUZAZGWIB-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1C 2333273 MGCVWFGGNHVIBS-IAGOWNOFSA-N 391.489 2.880 0 40 GFAB COC(=O)c1cc(=O)nc(NC(=O)Nc2cc(Cl)nc(Cl)c2)s1 2581903 BUFTXUPWUFUIHK-UHFFFAOYSA-N 375.193 2.636 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CCC2 2624082 CNMCUJHNBGYQQR-UHFFFAOYSA-N 386.429 2.960 0 40 GFAB COCCn1c(=S)[nH]c2cc(C(=O)NCc3ccc(C)cc3)ccc2c1=O 3043605 XDNKFDWCUKXGIX-UHFFFAOYSA-N 383.473 2.944 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCCN2C(=O)c3ccccc3C2=O)c1 3286411 FUHSRRRLRMXMOC-UHFFFAOYSA-N 379.445 2.667 0 40 GFAB COc1cccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1 3386967 AUAPHIGYUMYWRP-ZHACJKMWSA-N 380.444 2.600 0 40 GFAB O=C(N[C@@]12CC[C@@H](OC(=O)c3ccccc3)[C@@H](SC1)[C@H]2O)c1ccccc1 4027793 KTLCCBNUTRMVBR-IKVWTGGYSA-N 383.469 2.651 0 40 GFAB biogenic O=C(NN1CC(=O)N(c2ccccn2)C1=O)C(c1ccccc1)c1ccccc1 4935018 NUACUWPRSGSDOP-UHFFFAOYSA-N 386.411 2.714 0 40 GFAB CCOc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2F)cc1 5000193 VJALGMCAAXBZTK-RDTXWAMCSA-N 387.411 2.830 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(Cl)cc2O)cc1 5101727 QOQWYOXPKIHBKA-UHFFFAOYSA-N 390.823 2.608 0 40 GFAB COC(=O)c1ccc(CNC(=O)COc2ccccc2Br)cc1 6000078 JTPYTMHTJDJXCB-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB CC(C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 6327647 FEPHOGKPCAJWGJ-UHFFFAOYSA-N 396.896 2.722 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6921126 NJWKRIIOCMNGGE-QUBYGPBYSA-N 392.687 2.894 0 40 GFAB Cc1cc(I)ccc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1 8024537 CUZFLVAANBGOEI-RYUDHWBXSA-N 388.249 2.647 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OCCCO2 8092621 IUUFSOBSAFZNCW-UHFFFAOYSA-N 397.475 2.974 0 40 GFAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 8168652 CHMQDOJESDAKEK-UHFFFAOYSA-N 394.443 2.674 0 40 GFAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(C(C)=O)c1 8416607 AVQFDMJTENQVJH-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB O=c1[nH]nc(SCc2cc3c(cc2Br)OCCO3)n1C1CC1 8504262 MPBSBQODIUKEII-UHFFFAOYSA-N 384.255 2.732 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1 8705452 BMCBPYHJMVYOFJ-UHFFFAOYSA-N 384.461 2.913 0 40 GFAB O=C(O)Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)cc1 10475605 WTSWCPDLBXUCHK-UHFFFAOYSA-N 382.445 2.753 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)c1 11851695 NMPFJWNIAMWBKN-CWIFOLKKSA-N 377.437 2.638 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cc2csc(-c3ccccc3F)n2)CC1 11865429 GOKYLVYAAALSOC-UHFFFAOYSA-N 377.441 2.792 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)cc1 12085221 RDLPFVBDHHLBHU-AWEZNQCLSA-N 389.506 2.563 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)cc1 12225883 GPTRHZBMTBBCCT-UHFFFAOYSA-N 396.443 2.501 0 40 GFAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cc(C)n(C)n3)nc12 12229270 IHHAXDBYARTUGK-UHFFFAOYSA-N 387.509 2.864 0 40 GFAB COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCC(C)CC3)n2)cc1 12234989 UYJZMTGQRCJVPY-UHFFFAOYSA-N 384.484 2.697 0 40 GFAB Cc1cc2n(C[C@@H](O)COc3ccc(Cl)cc3Cl)c(C)cc(=O)n2n1 12795457 RATIVBPCGMWZBE-CYBMUJFWSA-N 382.247 2.860 0 40 GFAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)N(C3=CCCCC3)C3CC3)C2=O)cc1 12905926 DBSFGEFKZSNCML-UHFFFAOYSA-N 381.432 2.739 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccncc2)o1 13036664 LLPCLNNMFWSUPH-UHFFFAOYSA-N 392.824 2.588 0 40 GFAB CC[C@H](C)NC(=O)CSc1nnc(SCC(=O)N[C@H](C)CC)s1 13148976 SSQWPHKSDSYBND-AOOOYVTPSA-N 376.573 2.552 0 40 GFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c1 13340676 RFHAZTRXLRIFHG-UHFFFAOYSA-N 396.852 2.676 0 40 GFAB C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc2ccccc12 15814850 GTNFUQNQTZWAKG-CQSZACIVSA-N 381.457 2.515 0 40 GFAB CCn1nc(C(=O)O[C@@H](C)C(=O)NC2CCCCCC2)c2ccccc2c1=O 16768744 BYHBPIBYKWRYBW-AWEZNQCLSA-N 385.464 2.801 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@@H]3CCCN3C)ncc2C1 19134324 PGMCPVQYJBXLBP-SFHVURJKSA-N 396.491 2.524 0 40 GFAB COc1cccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c1 19291347 FSCMQSPEYOJCTH-QFIPXVFZSA-N 392.503 2.833 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)no1)C2 19452962 SGDGLDHWENTXEM-GOSISDBHSA-N 397.479 2.860 0 40 GFAB Cc1nc(C)c(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)s1 19663026 HTXJOHSRSHNJOR-UHFFFAOYSA-N 394.547 2.881 0 40 GFAB CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1cccc(F)c1 19715300 DGZUFUAWYXMYMV-QFIPXVFZSA-N 397.450 2.687 0 40 GFAB CC1(C)CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3Cc1ccccc1Cl 19818781 ROSNEIBZBUJCJB-UHFFFAOYSA-N 383.835 2.942 0 40 GFAB O=C(NC(C1CC1)C1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 22385478 SVQUAHLOCHCAHY-OAHLLOKOSA-N 380.485 2.531 0 40 GFAB CNC(=O)c1ccc(CNC(=O)COc2ccc(Br)cc2F)cc1 23111848 QXVACFWNJDFEMN-UHFFFAOYSA-N 395.228 2.643 0 40 GFAB CC(C)[C@@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 24988643 RADICHKFKDQPQA-OAHLLOKOSA-N 381.325 2.629 0 40 GFAB O=C(COc1ccc(Br)cc1)NC(=O)NCCc1cccs1 25926173 BCXCLPODHPUSTG-UHFFFAOYSA-N 383.267 2.958 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccc(Br)c1 27745099 BTJSFALJXGVPHV-LLVKDONJSA-N 387.233 2.923 0 40 GFAB COc1ccc(CN(C)CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1F 29065213 VAZWBFBIOUQQSE-UHFFFAOYSA-N 385.483 2.923 0 40 GFAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32657844 UMIPDFCOLYUOLU-CYBMUJFWSA-N 388.265 2.556 0 40 GFAB Cc1cccc(/C=C/C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 32788158 PUAPKBLVCWJFQY-LCCNJJIFSA-N 392.455 2.661 0 40 GFAB Cn1ncc2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc(C3CC3)nc21 36616329 WTWUGECLYUGKLG-UHFFFAOYSA-N 375.476 2.804 0 40 GFAB COc1ccc(C)c2sc(N3CCN(C(=O)c4snnc4C)CC3)nc12 36709518 UVEGCKBXUGWIEC-UHFFFAOYSA-N 389.506 2.736 0 40 GFAB CCN(CC(=O)Nc1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 39985308 DBOIBIBCTZUEHR-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(-n3cccn3)cc2)c1 40108634 MBVKDNIMXQBOJY-UHFFFAOYSA-N 385.445 2.553 0 40 GFAB CCOc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1 40478559 ISWQRZWQWZEDDA-UHFFFAOYSA-N 395.459 2.857 0 40 GFAB Cc1cc(C(=O)NNC(=O)NCCCN2CCC(C)CC2)c2ccccc2n1 45122661 UEMBGSHCBLMMBI-UHFFFAOYSA-N 383.496 2.609 0 40 GFAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N=c1[nH]c2ccccc2[nH]1 48166951 MPLWFQQQHLOLCO-QMMMGPOBSA-N 393.266 2.566 0 40 GFAB O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(-n2cncn2)nc1 48288599 BGJCZWJLHWDVND-UHFFFAOYSA-N 376.445 2.645 0 40 GFAB Cc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2cccs2)n1 48289773 DUJMFPPAEUERBL-GOSISDBHSA-N 382.489 2.725 0 40 GFAB COc1cc(NS(=O)(=O)Cc2cccc(F)c2)ccc1N1CCCC1=O 49505262 APZLEVHKCWOZIP-UHFFFAOYSA-N 378.425 2.903 0 40 GFAB CC(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 51357156 NPMCTVJRLUNXBL-UHFFFAOYSA-N 384.407 2.534 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492883 SVSQQHAEXPWWJF-CQSZACIVSA-N 385.489 2.745 0 40 GFAB Cc1cc2nc(SCC(=O)NCc3ccccc3Cl)n(C)c(=O)c2[nH]1 57521207 WYHPCLJNYAOJRH-UHFFFAOYSA-N 376.869 2.632 0 40 GFAB Cc1csc(N2CCCN(Cc3cc(=O)n4c(C)csc4n3)CC2)n1 58163674 PGVOLEINIMNJIJ-UHFFFAOYSA-N 375.523 2.542 0 40 GFAB CCC[C@](C)(NC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1)C(=O)OC 59937171 NFMDZXZMNIOIEF-IBGZPJMESA-N 378.425 2.655 0 40 GFAB CCN(CCCNC(=O)NCCc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 72274585 SXBXYOPKXBVPLR-UHFFFAOYSA-N 396.340 2.507 0 40 GFAB Cc1cc2c(o1)c1cnn(CC(=O)NCc3ccncc3)c(=O)c1n2C(C)C 72335363 ZKVYEBHVQAGMHU-UHFFFAOYSA-N 379.420 2.545 0 40 GFAB CN1CCc2nnc([C@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2CC1 72372758 ITHFIJCTHTYFBD-QGZVFWFLSA-N 385.487 2.546 0 40 GFAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 72374718 CJWBGAXCXVPJSO-INIZCTEOSA-N 392.463 2.674 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)c(Cl)c1 78902665 VNNKRLIXYXCEBL-UHFFFAOYSA-N 396.808 2.796 0 40 GFAB Cc1cc(C)nc(N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)n1 79494858 RKOIPWRHZSPIAJ-NRFANRHFSA-N 393.535 2.654 0 40 GFAB CC(C)(C)c1cc(C(=O)OCCN2C(=O)CNC2=O)cc(C(C)(C)C)c1O 84241102 RMSLLLAAKRUYQF-UHFFFAOYSA-N 376.453 2.696 0 40 GFAB COc1ccc2c(c1)NC1=C(C(=O)OC1)[C@@H]2c1cc(OC)c2c(c1)OCCO2 84632667 DNPWAYLPDGCEQM-GOSISDBHSA-N 381.384 2.843 0 40 GFAB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 84736544 WPYOATDCEQNMNQ-KRWDZBQOSA-N 395.484 2.855 0 40 GFAB COCCCN1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1 89410262 FYMWLCVSTDTDDJ-UHFFFAOYSA-N 375.296 2.989 0 40 GFAB COc1ccc([C@H](NC(=O)CN(CCC(N)=O)c2cccc(C)c2)C2CC2)cc1 89672694 TXJKRHZXUWISSU-HSZRJFAPSA-N 395.503 2.953 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)N3CCC(Oc4cnccn4)CC3)c2O1 90677846 PWZJMYALLZFFLV-UHFFFAOYSA-N 383.448 2.639 0 40 GFAB CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccccc2Cc2ccccc2)C1=O 95406607 HPIUWFZMFFWRPU-MBSDFSHPSA-N 391.471 2.728 0 40 GFAB COc1ccc(C2(C(=O)NCCn3cnc4ccccc43)CCOCC2)cc1 96231328 SIMNOKSRVKBMRO-UHFFFAOYSA-N 379.460 2.910 0 40 GFAB O=C(c1cccnc1)N1CCC2(CC1)NCCn1c(-c3ccc(F)cc3)cnc12 96263398 WZZGKVYMWJAFDP-UHFFFAOYSA-N 391.450 2.819 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)c2nc(Br)cs2)C[C@H](C)O1 97165720 KTKIHQCLPNADIU-UWVGGRQHSA-N 376.320 2.523 0 40 GFAB Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2F)C3)cc1 100142514 HIJKEYDWKHNEDV-GJZGRUSLSA-N 376.453 2.732 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 102082655 UZTJJCITPDODGP-SLHULYQBSA-N 391.254 2.985 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102128187 DFCGYZNCSDPLLB-HUUCEWRRSA-N 381.432 2.547 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(=O)o1 206971265 XZYFFTBIMVSCOU-UHFFFAOYSA-N 381.384 2.738 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3ccc(Br)o3)CC2)cc(=O)o1 206973884 IZTAIRSYVMRAKG-UHFFFAOYSA-N 382.210 2.987 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)c4ncccc34)ccc21 223350697 VPEFDKYAUFFXDR-UHFFFAOYSA-N 399.428 2.972 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(C)(=O)=O 224216684 VVANRHJFYRLRGL-UHFFFAOYSA-N 396.896 2.935 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCCCC1 225480301 JEIMHGNZZBTJQG-UHFFFAOYSA-N 394.537 2.815 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)COc2ccccc2)ccc1Cl 225501455 VOCZAJDZFZSVKC-GFCCVEGCSA-N 383.853 2.872 0 40 GFAB c1ccc(N2CCN(c3ncncc3-c3nc(-c4cccs4)no3)CC2)nc1 225578903 QJSOPHYMUQVEEL-UHFFFAOYSA-N 391.460 2.977 0 40 GFAB O=C(Cn1ccc2ccccc21)NCCN1Cc2cc(Cl)ccc2OCC1=O 225771718 OPGFOHGDWGHCGE-UHFFFAOYSA-N 397.862 2.832 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc2sncc2c1)Cc1ccc(F)cc1 226062395 KYEXJHUJLUCGGO-UHFFFAOYSA-N 393.465 2.836 0 40 GFAB COc1ccc(-c2cccc(CC3(C(=O)N4CC(O)C4)CCOCC3)c2)cc1 257197564 CXIORMUXKSFTQO-UHFFFAOYSA-N 381.472 2.905 0 40 GFAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4ccnc4)C3)o2)c1 257233157 GOAUWWTVBUGPMR-QGZVFWFLSA-N 380.448 2.877 0 40 GFAB Cc1cccc(C(=O)N2CCC(Cc3cncc(-c4nccn4C)n3)CC2)n1 257316723 VGSBQNCMWZNZQO-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 408560037 ZQFZTTDFKYBWQG-MRXNPFEDSA-N 382.526 2.711 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 408602014 BPOAARQIENHAGW-QGZVFWFLSA-N 390.505 2.650 0 40 GFAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)cc2)CC1 408627633 MUHVYAZSYPTERT-UHFFFAOYSA-N 396.516 2.790 0 40 GFAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br 409133747 RGRKRULNNKHEEI-IZZDOVSWSA-N 386.223 2.969 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)cc1C 409142939 MAUKBZVDPGFXFY-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc2oc(O)nc12 563712857 GDGWKTJNIPZFEQ-INIZCTEOSA-N 381.432 2.554 0 40 GFAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575426313 QXPLXKJKLLWUIR-TZMCWYRMSA-N 379.931 2.625 0 40 GFAB C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1)[C@H]1CCCO1 583624080 LXBJTFYGITUEOF-LZLYRXPVSA-N 375.517 2.691 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CC2 583652514 GWGPRHDMEBWUKE-MJGOQNOKSA-N 394.471 2.856 0 40 GFAB COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@H]1CCCCN1C)CC2 585111122 FHEFLKFZQNTLGJ-LJQANCHMSA-N 382.508 2.566 0 40 GFAB CNCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccccc1 585172748 DMLINYHGRJDFJG-DNVJHFABSA-N 393.531 2.731 0 40 GFAB CCCN1CCN(C(=O)CNC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585183591 GKHNCHDOFSQMTO-NRFANRHFSA-N 393.531 2.813 0 40 GFAB CC1(C(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(N)=O)C2)CCCCC1 585282940 JYANMRZKQCFJQI-OAQYLSRUSA-N 392.471 2.648 0 40 GFAB Cc1cc(-c2noc(CN3CC(=O)N(C)C3=O)n2)ccc1N1CCC[C@H](C)C1 624539476 DXBUPBRAQBCKLZ-ZDUSSCGKSA-N 383.452 2.675 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(O)n1 1615125363 ZBJWOISVTKAYII-QFIPXVFZSA-N 395.459 2.524 0 40 GFAB COC(=O)c1csc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)c1 1664980456 LYVLUAOAGHFWCI-INIZCTEOSA-N 391.470 2.700 0 40 GFAB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1 79112440 LRGDBAWZDXLYOB-SFHVURJKSA-N 385.489 2.767 0 40 GFAB CC(C)n1cc(CCCC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 79495504 AACUQSQDRAOQOI-UHFFFAOYSA-N 391.537 2.649 0 40 GFAB O=C1C(Cl)=C(NCc2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1 936566 SFPGJZVBUIZXJO-UHFFFAOYSA-N 384.819 2.567 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 61718365 QEPPDGINTDEIHQ-PKOBYXMFSA-N 382.416 2.640 0 40 GFAB COc1ccc(C(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1OC 6677981 PMFVDCJJGGTAFA-UHFFFAOYSA-N 378.431 2.682 0 40 GFAB CCN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818322 OEXWNKPKJZNKJC-UHFFFAOYSA-N 392.462 2.907 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1C 10112298 ZGOUOUVRDLNWEF-UHFFFAOYSA-N 377.418 2.744 0 40 GFAB CC(C)CCN(CCC(C)C)C(=O)CSCc1nc(N)nc(N(C)C)n1 24982008 QAQRRVCRPAFDBV-UHFFFAOYSA-N 382.578 2.674 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)ccc12 8538678 ATQHOXUOKQHYID-UHFFFAOYSA-N 396.355 2.557 0 40 GFAB COc1cccc(NC(=O)COC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 3249513 JNFKECDXJWLELM-UHFFFAOYSA-N 397.383 2.671 0 40 GFAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 100790694 ORKNERHMCZSBPF-GXZWQRSESA-N 377.444 2.883 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1C 57531977 FDQIQGPNAJJMFL-FZMZJTMJSA-N 384.432 2.941 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C2=O 3309903 YYQQJHWWGYEJDG-UHFFFAOYSA-N 397.519 2.968 0 40 GFAB O=C(OCC(=O)N1CCCCCC1)c1ccccc1I 3315738 KPTZVXMNRFBAMF-UHFFFAOYSA-N 387.217 2.851 0 40 GFAB COc1ccccc1CN1CC(=O)N2[C@H](CCc3ccccc3)SC[C@H]2C1=O 2110063 KKXBKRJLAZNDPM-RXVVDRJESA-N 396.512 2.940 0 40 GFAB biogenic CCn1c2ccccc2c2nnc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc21 3384090 QVNIDUGKRZTRSB-STQMWFEESA-N 385.493 2.727 0 40 GFAB CCC[C@@H](c1nnnn1CCOC)N1CCN(c2cc(Cl)ccc2C)CC1 57670012 PDDYNICXSSVTRZ-KRWDZBQOSA-N 392.935 2.945 0 40 GFAB C=c1/c(=C/c2cccn2-c2cccc(C(F)(F)F)c2)c(=O)n(C)c(=S)n1C 111505615 LHBYQOILDLQQAP-WJDWOHSUSA-N 391.418 2.502 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)cc1F 12859851 JDNUWWOABTZSSD-CQSZACIVSA-N 375.469 2.981 0 40 GFAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 24990213 UWJYHFXAGJKRFV-UHFFFAOYSA-N 394.415 2.512 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)cc1 3412515 WABYCFMTJHKMJD-SFHVURJKSA-N 379.416 2.711 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)no1 12029071 NHSOZXTULQGLCX-KRWDZBQOSA-N 389.477 2.654 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cccc(Cl)c3)C2=O)cc1 3460996 RLHFDIZVFGVQSQ-HXUWFJFHSA-N 385.851 2.732 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2c(=O)cnc3ccccc32)sc(C)c1C 3458388 ZZJAJYQYURNILS-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 12998678 RDKXZJQONLMDPU-ZDUSSCGKSA-N 380.441 2.700 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)NCCCN3CCCCCC3=O)CC2=O)c1C 12925284 NQANSKOSMKUENP-SFHVURJKSA-N 385.508 2.565 0 40 GFAB CCOC(=O)N1CCN(c2nc(Nc3ccc(F)cc3)c3nccnc3n2)CC1 13010645 ATWGBOPKQRZXAT-UHFFFAOYSA-N 397.414 2.581 0 40 GFAB O=C(NCc1ccnc(OCC2CC2)c1)c1cccc(CN2CCCC2=O)c1 84364246 VJWDALQGPJQTSU-UHFFFAOYSA-N 379.460 2.923 0 40 GFAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1Cc1ccccn1 39383803 WPFVTMPTSUZNGN-UHFFFAOYSA-N 398.470 2.561 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CCCCCC1 9226144 QSQKWRMSXMMZSZ-LBPRGKRZSA-N 388.917 2.854 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 5277538 AIGDSMVHKFLRED-UHFFFAOYSA-N 391.410 2.920 0 40 GFAB Cn1c(CCC(=O)Nc2ccccc2N2CCCC2=O)nc2ccccc2c1=O 14189996 HSPDZKDJWXYVCH-UHFFFAOYSA-N 390.443 2.632 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408593251 PUOCPTWQEKFBQP-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB Cn1c(SCc2cc(-c3ccccc3)on2)nnc1[C@H]1CCS(=O)(=O)C1 14201276 AFWXIEIZYBOLFD-ZDUSSCGKSA-N 390.490 2.665 0 40 GFAB Cc1nc(N2CCN(CC(=O)NC3CC3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 14241091 JUELXNKQABNQRZ-ZDUSSCGKSA-N 399.564 2.525 0 40 GFAB COc1ccccc1OCCCN1C(=O)[C@@](O)(CC(C)=O)c2cccc(C)c21 4988015 REGFYSBHIIGYDR-JOCHJYFZSA-N 383.444 2.986 0 40 GFAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 15696024 OZPSVOJDENYWOX-LBPRGKRZSA-N 398.431 2.519 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 7780173 AHFWZCNLGGVWBX-MRXNPFEDSA-N 381.350 2.985 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3c(s2)CCCCC3)cc1 8275405 HUJIYPWGBCMZNB-UHFFFAOYSA-N 395.502 2.900 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 9748114 MCBVXHNLLFNJHK-MPBGBICISA-N 399.472 2.867 0 40 GFAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 95477172 RAYFKMXRMOAQRG-JOCHJYFZSA-N 397.519 2.650 0 40 GFAB CC(C)CO[C@@H](C)c1noc(CN2CCN(c3ccc(Cl)nn3)CC2)n1 89840261 UIYIKRJCQAUHOK-ZDUSSCGKSA-N 380.880 2.569 0 40 GFAB CCOc1cc(CNCCNCCO)ccc1OCc1ccccc1Cl 22075379 KDRWGLORJRHNRY-UHFFFAOYSA-N 378.900 2.989 0 40 GFAB COc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709431 SVQXOFINLUMILT-UHFFFAOYSA-N 395.459 2.623 0 40 GFAB CCOc1cc(CNCCNCCO)cc(Cl)c1OCc1ccccc1 22075637 BTUFGKLEJHZTOW-UHFFFAOYSA-N 378.900 2.989 0 40 GFAB C[C@@]1(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1(Cl)Cl 25894147 UDZCPTYZNVFOID-HNNXBMFYSA-N 391.320 2.540 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccncc4)C[C@@H]32)cc1 306135769 PADGUJWXOZCWEE-VXKWHMMOSA-N 388.471 2.973 0 40 GFAB O=C(O)c1cccc(OCCOCCOCCOc2cccc(C(=O)O)c2)c1 3844451 OSFCCZLHAZSOLG-UHFFFAOYSA-N 390.388 2.574 0 40 GFAB biogenic CN1CCN(Cc2cnn(C)c2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 306143916 YQQGNIIIDBMYAD-NRFANRHFSA-N 387.491 2.619 0 40 GFAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218653407 UCSAYDBOFVSVBW-SCTDSRPQSA-N 393.892 2.872 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1F 70640198 NQTMLDLNEJODSY-HNNXBMFYSA-N 384.329 2.941 0 40 GFAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCc2c(nnn2-c2ccccc2)C1 562037677 JSWSDMFQBSBNRM-UHFFFAOYSA-N 384.443 2.711 0 40 GFAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 72346131 TVEGRGLFMLIOKE-KRWDZBQOSA-N 395.507 2.536 0 40 GFAB CCc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(C)(=O)=O)cc1 44885152 WFRUBXAYXDZHSM-UHFFFAOYSA-N 390.505 2.682 0 40 GFAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)NC[C@@H]1CCCO1 225818179 AHJJARDZOQDPDW-ZDUSSCGKSA-N 380.242 2.727 0 40 GFAB NCC(F)(F)CC(=O)NCCSCCOc1cccc(Br)c1 570340606 WSOPWZDQUACJKO-UHFFFAOYSA-N 397.285 2.661 0 40 GFAB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 222248982 PPIVCBCOLCHEFG-GUYJKWIASA-N 387.741 2.554 0 40 GFAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101241 QLFLXSXYAALBAH-UHFFFAOYSA-N 399.454 2.723 0 40 GFAB O=C(NCc1ccccc1OC(F)(F)F)c1nnn(-c2ccc(F)cc2)n1 77100341 MDSFXUDDCCLPES-UHFFFAOYSA-N 381.289 2.630 0 40 GFAB CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(Br)cc1 96519698 FRDITKNTPIXHPF-DTWKUNHWSA-N 392.496 2.815 0 40 GFAB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)nc2N1 95346139 OTBFORVHEIXCFR-IHRRRGAJSA-N 399.838 2.543 0 40 GFAB COc1cc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)cc(OC)c1OC 238874566 NSLAIJNVHLOKGA-LJQANCHMSA-N 396.487 2.985 0 40 GFAB CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(Br)cc1Cl 95945891 QHBUXKVOYUHOBO-LURJTMIESA-N 377.087 2.805 0 40 GFAB COc1ccc(CN2CCN3C(=O)N(Cc4ccc(OC)cc4)C[C@H]3C2)cc1 96269120 NCJAKAAHRXLONJ-LJQANCHMSA-N 381.476 2.826 0 40 GFAB biogenic,in-vitro O=C(c1cc(C2CC2)on1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 247874020 SELMLRSPFFLHAS-LBPRGKRZSA-N 375.425 2.865 0 40 GFAB COc1ccc(-c2nc3sc(=Cc4ccc(F)cc4)c(=O)n3n2)cc1OC 254484986 WZEZLVBHPHQSTP-UHFFFAOYSA-N 383.404 2.522 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCSCC1)[C@]1(C2)NC(=O)c2ccccc2N1 253595975 LPURDHRZANAVDU-ACRWPFGISA-N 385.533 2.940 0 40 GFAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCOCC3)CC2)n1 257342295 ZOAOWLDUNPIUTI-UHFFFAOYSA-N 398.507 2.646 0 40 GFAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)nc1C 257296462 RCYBNCQOPUTQLB-BEFAXECRSA-N 394.519 2.892 0 40 GFAB CO[C@H]1CC[C@H](C(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)CC1 257215389 CPXPULQKFXVUBW-KESTWPANSA-N 384.524 2.970 0 40 GFAB Cc1cc(C(F)(F)F)nc(N[C@@]23CC[C@H]2CN(C(=O)c2cccn2C)C3)n1 1614423280 ZITQHDDYBJWOQQ-YVEFUNNKSA-N 379.386 2.859 0 40 GFAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)c1ncco1)CC2 654452415 OTMDUHDRNXVBBI-IRXDYDNUSA-N 394.479 2.988 0 40 GFAB C[C@H](NC(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1ccc2c(c1)CCCO2 667427838 RTUCUTHNRVHCMX-UCVWRJDYSA-N 394.515 2.881 0 40 GFAB COc1cccc([C@H](CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)OC)c1 96390145 KZBDWXJBAWKOQI-IBGZPJMESA-N 391.489 2.535 0 40 GFAB O=C(Cn1ccc2ccccc21)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390831343 RIGJQOSFLJDJFG-CYBMUJFWSA-N 377.370 2.674 0 40 GFAB CN1c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2N(C)S1(=O)=O 390827371 XFGDFGBHSWSECN-UHFFFAOYSA-N 389.462 2.521 0 40 GFAB CN(Cc1cccnc1)C[C@H]1CC2(CCN(C(=O)c3ccc(O)cc3)CC2)CO1 585103418 GEYSRUSFIHHMBS-OAQYLSRUSA-N 395.503 2.931 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585293274 YYPRKLONIKQGHU-JKNJVXJCSA-N 380.496 2.666 0 40 GFAB O=C(Cc1ccccc1O)NC1(CN2CCN(c3ccc(F)cc3)CC2)CC1 685939018 DMLIBSMWIYHSDX-UHFFFAOYSA-N 383.467 2.545 0 40 GFAB COc1cccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3C2CCOCC2)c1OC 1775995499 ZGPQRBDZTLLOID-ZXFUBFMLSA-N 389.496 3.000 0 40 GFAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(OC[C@@H]2CCCO2)c1 40121087 IOSXUFHFXIEAOB-KRWDZBQOSA-N 381.494 2.930 0 40 GFAB COc1ccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)c(OC)c1OC 189265411 KLTCTRPTRHRONV-UHFFFAOYSA-N 390.402 2.717 0 40 GFAB COc1ccc(OC)c2c1cc(C(=O)N1CCN(C3CCCCC3)C(=O)C1)n2C 12148681 BZLNDDMZHBFPTK-UHFFFAOYSA-N 399.491 2.813 0 40 GFAB COc1ccccc1CC(=O)N1CCC(n2nc(-c3ccoc3C)oc2=O)CC1 12184912 DPUDXMTVHCUJHJ-UHFFFAOYSA-N 397.431 2.820 0 40 GFAB Cc1c(CN2C[C@@H](c3ccccc3)C3(CCCCC3)C2)c(=O)n(C)c(=O)n1C 12228080 FMTZDHHVGVTVMX-FQEVSTJZSA-N 381.520 2.942 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)no1 12337225 MNLBBFWJPQFOLH-UHFFFAOYSA-N 394.431 2.819 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1C 12994158 TZWTULOJTZNMHD-UHFFFAOYSA-N 399.466 2.604 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1 13670497 XHMWUWUPXJOWES-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB Cn1cccc1C[C@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1CCc1ccccc1 13731332 QGJDOFSWHKMZPX-UNMCSNQZSA-N 396.512 2.917 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(Br)cc1)C2=O 16000000 DVNVHHGOIKTKHD-UHFFFAOYSA-N 380.242 2.595 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)Cc4ccc(C)cc4)CC3)ncc2C1 19209375 YXPIJCAVXITYNJ-UHFFFAOYSA-N 392.503 2.638 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19578644 PIRLJVRYXSIKGY-UHFFFAOYSA-N 382.508 2.891 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2nccnc2-c2ccccc2F)C1 19693103 OVUBJGBNPCVHHS-KRWDZBQOSA-N 381.411 2.538 0 40 GFAB NC(=O)CCN1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19760999 LVSDMSMEYUQQJF-ZDUSSCGKSA-N 395.488 2.608 0 40 GFAB CCOc1ccc2c(c1CN1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O 206048072 OWNBCVJNZXDDHI-UHFFFAOYSA-N 376.453 2.713 0 40 GFAB Cc1nc2ccc(NC(=O)CN3[C@H]4CC[C@H]3CC(O)(c3ccccn3)C4)cc2[nH]1 105731853 NKDVKKCUGUMASO-IRXDYDNUSA-N 391.475 2.719 0 40 GFAB CC(C)Cn1cnc(S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1 510788024 TVGLLAJUMRBDLJ-INIZCTEOSA-N 381.473 2.910 0 40 GFAB CCOC(=O)[C@@H]1N(Cc2ccccc2)CC[C@]12CCc1ccccc1C(=O)N2 19530488 ZNRVLMWNZSTLTC-NZQKXSOJSA-N 378.472 2.939 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1 3495568 VPEXEEBCNXULCE-UHFFFAOYSA-N 379.315 2.870 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3ncsc3c2)c1C 7062681 SYXAJROKZCPJHK-UHFFFAOYSA-N 397.456 2.825 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C 7005515 VBPKIAKILPUAGC-JOCHJYFZSA-N 393.443 2.800 0 40 GFAB Cc1nc(C)c(C)c(OCC2CCN(c3cc(=O)n4ccccc4n3)CC2)n1 1888900861 WXVDLSGOOJUGQN-UHFFFAOYSA-N 379.464 2.705 0 40 GFAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2nn(C)c4ccccc24)C3)nc1 1888922101 AOGRUJLABMMZIL-OPAMFIHVSA-N 391.475 2.993 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2C(=O)OC)cc1 1442485 QPLCVVGZDRPVAZ-UHFFFAOYSA-N 391.445 2.723 0 40 GFAB Cn1c(=O)c2c(SC/C=C/c3ccccc3)nc(C3CC3)nc2n(C)c1=O 4139049 PWYBYIJQWFUGCJ-RMKNXTFCSA-N 380.473 2.710 0 40 GFAB CCOc1ccc(C(=O)Oc2coc(CSc3nncn3C)cc2=O)cc1 4518858 IQZAZCFYJPXDLJ-UHFFFAOYSA-N 387.417 2.679 0 40 GFAB CCOc1ccccc1NC(=O)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 8868161 ITQZZFBFGTXOLZ-AWEZNQCLSA-N 399.403 2.961 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc(F)c(F)c1 12422943 NMYPLPVTHULNEH-UHFFFAOYSA-N 390.371 2.543 0 40 GFAB C[C@@](O)(CNS(=O)(=O)c1ccc(Br)s1)Cc1ccsc1 618255429 PGMCTLXDOKQXGP-LBPRGKRZSA-N 396.353 2.844 0 40 GFAB O=C(O)Cc1ccc(N[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 6579847 LNFBETAWVZNJKF-HNNXBMFYSA-N 376.771 2.850 0 40 GFAB Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)cc1 19135650 YCHAUCWKSIGHSZ-SJLPKXTDSA-N 377.492 2.818 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)c1 40009658 CLDWXCGAAUMVMO-KRWDZBQOSA-N 379.416 2.918 0 40 GFAB Cn1nnnc1Sc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 20030683 KJYJWWADSPFDLV-UHFFFAOYSA-N 396.354 2.907 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)NCc1ccc(Cl)cc1)C[C@@H]2O 30588382 WHQXOQHZEQQHKY-INIZCTEOSA-N 390.867 2.523 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 40121595 CHLRWPKAAWENLY-LIRRHRJNSA-N 384.480 2.684 0 40 GFAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cccc(COc2cccc(F)c2)c1 31397507 MQKKGOFZYMWQJA-UHFFFAOYSA-N 397.406 2.661 0 40 GFAB CSc1ccccc1NC(=O)CN(C)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 32755542 LSCOIEISCNUECE-OKILXGFUSA-N 385.555 2.502 0 40 GFAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290541 NECISVRANGHHJQ-GJZGRUSLSA-N 380.448 2.888 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 640043 XTCGHODADVWNMJ-ZDUSSCGKSA-N 389.477 2.974 0 40 GFAB COC(=O)c1cc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc(C(=O)OC)c1 702852 VFSJTKVAJKMBHW-RTWAWAEBSA-N 387.432 2.984 0 40 GFAB COc1cccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)c1O 831626 BCYOBRRMFNGTQC-UKTHLTGXSA-N 389.205 2.625 0 40 GFAB O=C(NC1(C(=O)Nc2ccccc2)CCCCC1)c1ccc(-n2cnnn2)cc1 1068143 MZVYDAPRDQVZFE-UHFFFAOYSA-N 390.447 2.734 0 40 GFAB CCNc1nc(NCC)n2c(=S)n(CN3CCCc4ccccc43)nc2n1 1418694 YHSGGEJWRHNAMC-UHFFFAOYSA-N 384.513 2.929 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(OC)c1 3348097 JREQFFPZXKWXKL-UHFFFAOYSA-N 383.356 2.606 0 40 GFAB COC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 4158969 GEZNBSKIVCSWNT-SNVBAGLBSA-N 398.440 2.647 0 40 GFAB CC1(C)CC(=O)c2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc2C1 4517825 MVEBQSXUKPCDDS-UHFFFAOYSA-N 378.475 2.954 0 40 GFAB COc1ccc2oc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)c(C)c2c1 4524742 FGCVRLWHBLOFGB-UHFFFAOYSA-N 396.399 2.933 0 40 GFAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCc1ccccc1 4676792 BPSCLDJMJYEBBK-UHFFFAOYSA-N 383.467 2.613 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OC)ccc2ccccc12 5232034 QUPNSDNSFRPLNT-SFHVURJKSA-N 386.473 2.831 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 5270672 XODPLJLKPLRSJY-UHFFFAOYSA-N 381.819 2.901 0 40 GFAB COc1cccc(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[nH]2)c1OC 5488750 BNAOJGXEIVGBQL-INIZCTEOSA-N 381.436 2.799 0 40 GFAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@@H]3C[C@H]3C)n2)c1 5693710 VFGVXIMAJIKNMG-ZYHUDNBSSA-N 376.434 2.965 0 40 GFAB CC(C)C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 6784372 UHNNCVCXHJXDFA-KRWDZBQOSA-N 394.427 2.742 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)[C@H]3CCCO3)c2)cc1 8185120 LDKCECLDCWXCTA-GOSISDBHSA-N 390.461 2.922 0 40 GFAB CCCC1(CCC)NC(=O)N(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1=O 8189835 KQBKSUAZZTVRNI-UHFFFAOYSA-N 397.483 2.897 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1cccc2ccccc12 8325463 BZHYUZVNTCUBRH-GOEBONIOSA-N 397.504 2.975 0 40 GFAB Cc1cc(C)cc(N2C(=O)NC(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c1 9111186 GJSQRGJVJXRHTJ-QFIPXVFZSA-N 377.444 2.874 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)nc3ccccc23)cc1 9216956 JKCIWKFKCXNSJQ-UHFFFAOYSA-N 389.864 2.508 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CSCc2ccc(C(N)=O)cc2)n1 9937612 NYHIOBZWYVCTQM-UHFFFAOYSA-N 396.476 2.738 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2NC1=O 11527843 JXSQGJBPCUHGOR-LBPRGKRZSA-N 399.472 2.747 0 40 GFAB COc1cc(OC)cc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCCO4)c1 11612390 WIMWSKIUUKJDFW-FMQUCBEESA-N 386.429 2.769 0 40 GFAB O=S(=O)(NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1)c1cccs1 12197466 MYMRZXXWJZEHEC-CQSZACIVSA-N 380.491 2.592 0 40 GFAB Cc1cc(C(=O)N2CCC(c3nc4ccc(F)cc4cc3N)CC2)nc(N)n1 12221510 FQYGXUPAWFKFSV-UHFFFAOYSA-N 380.427 2.657 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)n(C)c1 12930530 ZWDKVIOYUNPGPO-UHFFFAOYSA-N 397.928 2.682 0 40 GFAB COC(=O)c1cc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)ccc1OC 12946221 NLGUCFVULDMAMR-UHFFFAOYSA-N 382.420 2.737 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1 12997898 DHKGVFCBWHDIFN-CQSZACIVSA-N 376.409 2.917 0 40 GFAB Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc12 13146377 AVPSMGLZCKEANB-HZPDHXFCSA-N 383.400 2.572 0 40 GFAB Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccc(F)cc1 13865689 IFUGYOBOBLDLTA-UHFFFAOYSA-N 398.423 2.522 0 40 GFAB O=C(c1ccco1)N1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)CC1 14184602 MKMONHXDYWACDP-UHFFFAOYSA-N 386.791 2.638 0 40 GFAB CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2C1 15880190 MBFMCMNSJVWCKJ-UHFFFAOYSA-N 393.534 2.956 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cnc12 16228073 FWGWLDGCACDVRI-SFHVURJKSA-N 398.894 2.777 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1Cl 16576818 XWEJFOXJJIDMBN-ZDUSSCGKSA-N 396.896 2.847 0 40 GFAB CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc1 17307511 PPKSEFLEBCEZOC-UHFFFAOYSA-N 391.493 2.762 0 40 GFAB CC(C)C(=O)N1CCO[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19085795 CFRNIIRBDVYKNF-HSZRJFAPSA-N 395.503 2.633 0 40 GFAB CO[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)Cn2nc3c(C)cc4ccccc4n3c2=O)C1 19126898 VZBTWOYGTMIHFI-CGTJXYLNSA-N 396.491 2.668 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccc(C)c3)ncc2C1 19234721 HHCSGEOBAFDIEH-FQEVSTJZSA-N 378.476 2.596 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc2c(c1)CCCO2 19496115 RPLAPHMVLQKZEL-AYSMAOOMSA-N 399.491 2.690 0 40 GFAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19501890 CFTKGYMFAFACMO-VQTJNVASSA-N 384.528 2.511 0 40 GFAB Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cnn1C 19553943 SXRQLPUNKGOUSL-CYBMUJFWSA-N 393.494 2.756 0 40 GFAB COc1ccc(CN2CCN(C3CCCC3)C(=O)C2)cc1Cn1ccnc1C 19656818 LSXTUETWBFQFOB-UHFFFAOYSA-N 382.508 2.835 0 40 GFAB Nc1n[nH]c2nc([C@H]3CCCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c12 19695540 MGVOLBZBSYRBOX-CYBMUJFWSA-N 396.417 2.708 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)ncc1C(=O)N1CCCCC1 19766283 SNGJLUYZHOKUQF-SFHVURJKSA-N 393.491 2.826 0 40 GFAB O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 20523149 ZMDDHPOHVIMAIS-GOSISDBHSA-N 387.842 2.933 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F)C(C)C 20744433 AZTZYKWVSLFEMM-DOTOQJQBSA-N 392.406 2.543 0 40 GFAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 20762512 OWNYVZJZJKNJKW-GOSISDBHSA-N 377.404 2.771 0 40 GFAB biogenic COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(N(C)C)nc2)CC1=O 22396047 MNMUXWLDWROSAU-LBPRGKRZSA-N 388.855 2.801 0 40 GFAB Cc1nn(CN2CCN(Cc3ccncc3)CC2)c(=S)n1Cc1ccccc1 22924416 AOARJBUTALIHSO-UHFFFAOYSA-N 394.548 2.941 0 40 GFAB O=C(CCc1ccccc1F)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23012126 ZTQZOESSRGVMNS-UHFFFAOYSA-N 385.439 2.668 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(-c3cccn(C)c3=O)n2CC)cc1 23136293 SDPBVKWEYMHINN-UHFFFAOYSA-N 397.504 2.957 0 40 GFAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)CC1 23989934 FOSJBAAAKRXUMQ-UHFFFAOYSA-N 386.304 2.895 0 40 GFAB CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)Nc1c(C)cc(C)cc1C 23996043 ANVWKPPTHOITTB-FQEVSTJZSA-N 396.491 2.679 0 40 GFAB CCOc1c(Br)cc(C(=O)N(C)Cc2cnn(C)c2)cc1OC 25044243 BEUYIKXRDADCHT-UHFFFAOYSA-N 382.258 2.862 0 40 GFAB Cn1cc(CNC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)cn1 28236619 BCMDENYBNXTXEU-UHFFFAOYSA-N 380.235 2.890 0 40 GFAB Cc1c(C(=O)NCc2ccc(CN3CCOCC3)cc2)cnn1-c1ccccc1 29717175 OQCBYHHYNCWADL-UHFFFAOYSA-N 390.487 2.943 0 40 GFAB CCOc1ccc(CCNC(=O)C2CCN(c3cnccn3)CC2)cc1OCC 31572436 XGSLJKRCEPJOEF-UHFFFAOYSA-N 398.507 2.849 0 40 GFAB O=C(NCc1ccccc1CN1CCCC1=O)c1cc(=O)[nH]c2ccccc12 32787572 MUMREGPZEVXCQF-UHFFFAOYSA-N 375.428 2.581 0 40 GFAB CC(=O)c1ccccc1OCC[S@](=O)CC(=O)N1c2ccccc2C[C@H]1C 32800940 KTUNSHUKGWUZIS-YVORESIASA-N 385.485 2.995 0 40 GFAB Cc1ccc(CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 34872122 VLLUDDFEDQZZCB-UHFFFAOYSA-N 377.535 2.618 0 40 GFAB Cc1ccc(CNCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 35311416 FMTIOGUSBBPSPN-UHFFFAOYSA-N 383.467 2.645 0 40 GFAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1cnc2ccccn2c1=O 36390641 DPPMDLDKPARMNR-QGZVFWFLSA-N 390.487 2.999 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 40068999 KVPBCKQUQVNLOV-MRXNPFEDSA-N 386.496 2.562 0 40 GFAB CCCc1nnsc1C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44001998 ZGHZVJYSHLHIPC-VOTSOKGWSA-N 388.493 2.765 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)N(C)Cc2ccsc2)c1 45137241 LVKQPVQQCSNFCV-UHFFFAOYSA-N 381.523 2.776 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1c1nnc2n1CCCCC2 45744018 QTEYOSSRILDDEH-INIZCTEOSA-N 378.473 2.811 0 40 GFAB C[C@@]1(c2cccc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2)NC(=O)NC1=O 47167326 JEGLQJMVZPVYAW-KRWDZBQOSA-N 393.321 2.892 0 40 GFAB C[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc2c(c1)OCCO2 48278639 WEUZNGDBXIJKHN-NSHDSACASA-N 382.338 2.516 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)s1 48303655 JJZICNFWKZLFNW-UHFFFAOYSA-N 387.486 2.751 0 40 GFAB O=C1[C@H]2OC[C@H](O2)[C@H]2[C@@H]1[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc(F)cc1 49740971 YANFNRSMJXESCV-FQOWZCASSA-N 391.398 2.975 0 40 GFAB biogenic CC(C)[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 50549933 MHNLRHRBLLKGFQ-QGZVFWFLSA-N 375.432 2.937 0 40 GFAB CC(C)CCOCCNC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 54900909 YTDAHRZBACNVMK-UHFFFAOYSA-N 386.279 2.882 0 40 GFAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1c[nH]ccc1=O 58391571 YWOSMZPLSFCXJD-UHFFFAOYSA-N 378.310 2.840 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Br)c1 58715951 KUPQSICUTXOWAZ-CYBMUJFWSA-N 390.285 2.832 0 40 GFAB O=C(NCc1ccc(Cn2cccn2)cc1)NC1CCN(CC(F)(F)F)CC1 63357916 WPLBOKCPNBUFJP-UHFFFAOYSA-N 395.429 2.757 0 40 GFAB COC(=O)N(C)c1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 65563552 BJJRXXRUECYUTJ-SFHVURJKSA-N 396.447 2.984 0 40 GFAB O=C(O)c1ccccc1CC(=O)N1CCN(c2nsc3ccccc23)CC1 71287438 MRNJZIXAPPYTJW-UHFFFAOYSA-N 381.457 2.886 0 40 GFAB Cc1csc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CCSCC2)n1 71335276 MSIXYJFJKLMQIF-OAHLLOKOSA-N 390.534 2.760 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc(N3CCC(C)CC3)nc2N)cc1Cl 71771560 ZFTHGUGFERKEDO-UHFFFAOYSA-N 396.900 2.790 0 40 GFAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n[nH]1 72375081 TZYFVQSQEDOMLB-ZDUSSCGKSA-N 399.451 2.816 0 40 GFAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)C1CCN(Cc2csc(C)n2)CC1 79072381 ZRLBBZUGUWXFKJ-ROUUACIJSA-N 393.553 2.902 0 40 GFAB O=C(c1cc2c(=O)[nH]c(-c3ccccc3)cn2n1)N1CCN(c2ccccc2)CC1 90590449 KAPPSOPRLNIKHP-UHFFFAOYSA-N 399.454 2.652 0 40 GFAB COc1cccc(S(=O)(=O)N2CCCSC[C@@H]2CN2CCCCC2)c1 90609045 HMNQWZBLDLBWHK-INIZCTEOSA-N 384.567 2.677 0 40 GFAB NC(=O)CN1CCC(N[C@H](c2ccc(Br)cc2)c2ccco2)CC1 95996242 LQUOOENBGAUICA-GOSISDBHSA-N 392.297 2.671 0 40 GFAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96052723 FRRCGAPSTAXDHH-QGZVFWFLSA-N 378.476 2.616 0 40 GFAB CC(C)n1nc(CC(=O)NCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 96117121 SIQHHCUCQOVVBK-UHFFFAOYSA-N 389.459 2.755 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(C(C)=O)=NN3c2cccc(C)c2)cc1 100982817 XJBNOZBZSXDAQZ-ICSRJNTNSA-N 391.427 2.717 0 40 GFAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)N4CCCN4[C@H]3C2=O)cc1 102682349 PMGMAXXAGFTQNO-PWRODBHTSA-N 391.471 2.929 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccc(Cl)cc21 106360513 FIHZKTAGBXEHIW-DIGLBZAJSA-N 398.912 2.562 0 40 GFAB C[C@H]1CN(C[C@@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@@H](C)O1 107341505 IWDHBSVWICPOAG-ZIFCJYIRSA-N 393.487 2.534 0 40 GFAB C[C@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H]2C[C@H]1C2(C)C 195528634 QNHJMTKJDFGIIU-CTASWTNQSA-N 397.493 2.528 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222482281 NOOHXMAYLSYXLU-AWEZNQCLSA-N 376.478 2.890 0 40 GFAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc3ccccc3c2)Oc2ccccc21 222793747 QDASFHVXRBGUQS-FQEVSTJZSA-N 396.468 2.683 0 40 GFAB CC(C)NC(=O)[C@H]1CCCN(C(=O)CCn2ncc3ccc(Cl)cc32)C1 223194242 ZURAQEWRKAOCRE-HNNXBMFYSA-N 376.888 2.843 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2C)cc1OC 224793416 MEFLAIJOCWLUJN-UHFFFAOYSA-N 379.434 2.601 0 40 GFAB CCn1c(=O)sc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)ccc21 225090711 MHFXQCBZZQMRFH-UHFFFAOYSA-N 391.474 2.707 0 40 GFAB COCc1cccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 225187792 GXPMINAGIDOHGN-UHFFFAOYSA-N 396.896 2.887 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225947862 JKMLBATYEBYWCH-KXBFYZLASA-N 392.496 2.944 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2)NS(C)(=O)=O)cc1 225955652 OXEMEKPWCVPQNP-INIZCTEOSA-N 382.869 2.968 0 40 GFAB O=C(CSCc1ccccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 253395093 ZTSNQIQFYXSIEM-UHFFFAOYSA-N 383.448 2.652 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 260798375 SKIDJXYSTGOEAW-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)c3c(C)nn(Cc4ccccc4)c3N)ccc21 506021199 HWSNOTJTBWOTIF-UHFFFAOYSA-N 389.459 2.983 0 40 GFAB Cc1c(S(=O)(=O)N2CC[C@H](C(N)=O)c3ccccc32)c2ccccc2n1C 556347133 VHVTYKNGVKWQBR-HNNXBMFYSA-N 383.473 2.655 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](Oc2cc(C)nc(C)n2)C1 575610080 SCDVXOFNAHCEGQ-MRXNPFEDSA-N 391.493 2.643 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575611061 UAKUQSZWNUPECV-QGZVFWFLSA-N 386.498 2.943 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@H](Oc3ccncn3)C2)c(Cl)cc1Cl 575611527 ZQOIOKRHGKTRMS-NSHDSACASA-N 388.276 2.934 0 40 GFAB O=C(Cc1ccccc1O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111651 ZGMUXLNJQWVLCK-HXUWFJFHSA-N 377.444 2.610 0 40 GFAB Cc1ccc(OCC2(O)CCN(CC(=O)NCc3ccccc3)CC2)c(C)c1 585272462 IXZXPRKXNIOAPV-UHFFFAOYSA-N 382.504 2.826 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN2C(=O)/C=C/c2cnc[nH]2)n1 585291188 LLRNVOGFYPUJEI-FUTAKVPZSA-N 375.436 2.942 0 40 GFAB C[C@H]1CN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)C[C@@H](C)C1(F)F 626600207 DKPAEOOBLAEGMK-FTLABTOESA-N 394.422 2.838 0 40 GFAB Cc1nc(-c2c[nH]c(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)c2)cs1 1178437081 GMWMJKVHBJPTDN-UHFFFAOYSA-N 393.472 2.866 0 40 GFAB CC(C)Cc1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)on1 1614974187 QTAWERZXDGNZKC-QFIPXVFZSA-N 397.475 2.911 0 40 GFAB COc1cccc(-c2nc(NCCn3ccc(O)nc3=O)c3ccccc3n2)c1 1655845779 WVZMNSNOTNHHNI-UHFFFAOYSA-N 389.415 2.680 0 40 GFAB COc1ccc(C(=O)Nc2ccc3onc(CN4CCOCC4)c3c2)cc1OC 1775970087 ANULDXQCRUSKAY-UHFFFAOYSA-N 397.431 2.930 0 40 GFAB COc1cccc(CC(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C2)c1 1888882034 XCFXURSYKMIAAJ-ROUUACIJSA-N 394.519 2.920 0 40 GFAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)Nc3ccccc3)C2)n(C(C)C)n1 2332241511 BOPMOKWHWSSQLA-USXIJHARSA-N 387.484 2.824 0 40 GFAB CCCn1nnc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1 2403271 JECYCHQAZFIGON-UHFFFAOYSA-N 380.477 2.728 0 40 GFAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2627620 BUIGGJYSZOBRDB-INIZCTEOSA-N 387.358 2.880 0 40 GFAB CCCCCn1nc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2c1=O 3414285 IWYXFVARUNFQRK-UHFFFAOYSA-N 398.419 2.679 0 40 GFAB CCOC(=O)c1ccc(-n2ncc(N3C[C@H](C)O[C@@H](C)C3)c(Cl)c2=O)cc1 4289202 IIUBTURNEUNFCD-STQMWFEESA-N 391.855 2.676 0 40 GFAB CC(=O)Nc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1 4496332 MOGVILALJMGXBL-UHFFFAOYSA-N 389.458 2.667 0 40 GFAB Cc1cccc(-n2nnc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc32)c1 5057016 WYVKOLTYNQYDEU-UHFFFAOYSA-N 379.807 2.822 0 40 GFAB O=C(N[C@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O)c1ccc(F)cc1 5209831 SWVCBANSVLAMOZ-INIZCTEOSA-N 378.285 2.930 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)NCCSCc1ccccc1 6086310 ZQPXETUVVKAKPB-UHFFFAOYSA-N 385.518 2.804 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 6566636 NWEAOXDUIUJLIK-JOCHJYFZSA-N 377.444 2.519 0 40 GFAB O=C(CSc1nnnn1-c1cccc(Cl)c1)NC(=O)NC1CCCCC1 6589827 BWZFZVDPQHPPNQ-UHFFFAOYSA-N 394.888 2.566 0 40 GFAB COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(F)cc2)N2CCCC2)cc1 6785987 HGLWGQNTCZOZJW-HXUWFJFHSA-N 399.466 2.517 0 40 GFAB COc1ccc(CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 6945248 JHQLTMPJQALSGV-UHFFFAOYSA-N 396.443 2.935 0 40 GFAB CCOc1cc(Br)c(/C=C2\NC(=S)N(CC)C2=O)cc1OC 6950792 HKKWULVLZYJJDF-WDZFZDKYSA-N 385.283 2.934 0 40 GFAB Cc1ccccc1NC(=O)Cc1nc(Cn2nnc3ccccc3c2=O)cs1 7006306 HTPWHFGVTVVYQN-UHFFFAOYSA-N 391.456 2.786 0 40 GFAB COc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc(Br)o2)cc1F 7074355 CRLAMNMOPLKIIL-VIFPVBQESA-N 399.216 2.797 0 40 GFAB CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)Cc1cccc2ccccc12 7106913 FNUOVGNCSATACG-UHFFFAOYSA-N 383.473 2.734 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 7292925 NHIQEOQKKUQTDA-CQSZACIVSA-N 376.416 2.710 0 40 GFAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)ccc2c1 7478819 ZTBNXPRVIHXSGD-QFIPXVFZSA-N 395.459 2.527 0 40 GFAB COC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1cccnc1 8346033 MVBJCNBEPOHVCK-CQSZACIVSA-N 386.477 2.917 0 40 GFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2Cl)s1 8474489 GBTJHQOWGZOLON-UHFFFAOYSA-N 396.856 2.791 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1 8973727 SHEMPSWVTZLSHN-UHFFFAOYSA-N 390.490 2.974 0 40 GFAB Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 9226786 VMJRHYDFXPVXLK-LJQANCHMSA-N 381.432 2.511 0 40 GFAB CCCCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849434 UOEDSVZDMWPBQD-UHFFFAOYSA-N 399.886 2.703 0 40 GFAB O=C1C[C@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c2ccc(F)cc2N1 9958884 RSFPMCGLOQGXJU-INIZCTEOSA-N 392.394 2.879 0 40 GFAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cn2ccc(C)cc2n1 10425513 QBNKZTCVLWYVCA-UHFFFAOYSA-N 393.447 2.702 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 10884063 FNSKFYQKXBAZRG-UHFFFAOYSA-N 377.447 2.705 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 12196669 CFYKPAMZRTYWHH-NSHDSACASA-N 388.898 2.711 0 40 GFAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCN(c2ncccn2)CC1 12323338 RSOLEBXWDJCZMN-UHFFFAOYSA-N 383.452 2.631 0 40 GFAB CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2ccc(C)nc21 12325110 HFGJPPYWXXLCIZ-UHFFFAOYSA-N 394.450 2.826 0 40 GFAB O=C(CCNC(=O)[C@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 12391931 JFVQFEVGHVWLBL-OAHLLOKOSA-N 383.429 2.581 0 40 GFAB COc1ccc(O)c(C(=O)c2cnn(C(=O)Cc3nc4ccccc4n3C)c2)c1 12538816 ZLXAPOWNLDMMGP-UHFFFAOYSA-N 390.399 2.598 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cc(C)ccc1C 12813062 HTXAUCROAHWYIR-UHFFFAOYSA-N 391.493 2.613 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl 13075540 JQHGPOFLXNPKHP-UHFFFAOYSA-N 398.843 2.688 0 40 GFAB CCCN1CCc2c(sc3c2c(NCc2ccncc2)nc2nnnn23)C1 13207139 WINZMKFGLXTZLU-UHFFFAOYSA-N 380.481 2.509 0 40 GFAB Cc1ccc(OCCNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13234885 UEQQJVMAPYLFSO-LJQANCHMSA-N 381.432 2.850 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713978 PLIHBKSMMMSTCV-KRWDZBQOSA-N 390.461 2.877 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)NCCCn1nc(-c2ccco2)ccc1=O 13802539 CAFNNZIMBIVEDE-AWEZNQCLSA-N 385.395 2.616 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1F 14198953 PYCSMFZHKBWJHY-OAHLLOKOSA-N 384.407 2.575 0 40 GFAB COc1cc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc(OC)c1 14244414 SDDIZYFLPLKDIF-UHFFFAOYSA-N 392.477 2.823 0 40 GFAB O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 14633391 KQUYRGDQLRRHBA-UHFFFAOYSA-N 399.415 2.970 0 40 GFAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc(OCCO)cc1Br 15517248 BKBQZAGBGSKHGR-INIZCTEOSA-N 377.238 2.699 0 40 GFAB COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2cccc3cccnc23)cc1 15936146 DGVGDRTZCJMNRK-MUUNZHRXSA-N 397.456 2.569 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c(C)c1 19132739 ZETCNIYSUQQDMZ-QZTJIDSGSA-N 394.519 2.913 0 40 GFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19499411 XLMPTCJXRPZZNA-MSOLQXFVSA-N 384.455 2.783 0 40 GFAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2cccc(Cl)c2)CC3)C1 19709507 FCLCEIFUIHUVKG-KRWDZBQOSA-N 387.915 2.716 0 40 GFAB COc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)c1 23078137 IQUXGKAKKXMMCN-CABCVRRESA-N 384.432 2.692 0 40 GFAB Cc1cc(NC(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)no1 23383138 LJZBZRAXFMDTAT-UHFFFAOYSA-N 378.310 2.864 0 40 GFAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 24097364 RQZJUMZTLCOXGT-QGZVFWFLSA-N 399.564 2.830 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc1 26100073 HHJMDYLKAXZOQU-UHFFFAOYSA-N 388.474 2.684 0 40 GFAB COc1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1F 29159150 KOQYRJHQPUIPOI-UHFFFAOYSA-N 399.510 2.701 0 40 GFAB O=C(CCn1cncn1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 31165199 YWGPHDGNGIOUNH-UHFFFAOYSA-N 399.495 2.880 0 40 GFAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c1O 31860764 RBEXOAWNMJODKC-XOJPMGEXSA-N 399.443 2.948 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)CCC4)cc(C3CC3)nc21 32060799 NTIXLVUSYVKSPX-UHFFFAOYSA-N 390.443 2.723 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCC3=CCCCC3)cc(C3CC3)nc21 32408514 NCEJXELSPWUSGC-UHFFFAOYSA-N 382.464 2.602 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)c(Br)s1 32923789 ANTFDINJJBXPAG-MRVPVSSYSA-N 382.301 2.860 0 40 GFAB O=C(COC(=O)c1nc(N2CCCCC2)ncc1Cl)NCc1ccccc1 32937192 WOQOETKCYXBKNX-UHFFFAOYSA-N 388.855 2.594 0 40 GFAB Cc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3)c2N)cc1 33171842 PWAJMKSURHVKGV-UHFFFAOYSA-N 380.473 2.894 0 40 GFAB O=C(NCc1ccc(-n2cncn2)cc1)c1cccc(OC[C@H]2CCCO2)c1 36397140 VCBIVNPXKXSQFI-HXUWFJFHSA-N 378.432 2.755 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)c1cccc(S(=O)(=O)N(C)C)c1 39581809 SGNDXPNWZSJRPB-UHFFFAOYSA-N 385.445 2.546 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccccc1I 39956956 CWZBNWWTMMVCJC-SNVBAGLBSA-N 377.178 2.942 0 40 GFAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 39995496 AZBBXADHJYTGKR-CZUORRHYSA-N 388.514 2.912 0 40 GFAB COc1cccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1OC(F)F 44249039 FNRXUGYLMIXOIT-ZDUSSCGKSA-N 397.399 2.945 0 40 GFAB C[C@@H]1CN(C(=O)/C=C/c2ccc(I)o2)CC(C)(C)O1 49179744 MQAXOJYXCKSDMJ-BREXMAIKSA-N 375.206 2.923 0 40 GFAB COc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c(OC)c1 57526281 MZQXUNITFAEOCQ-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)c1 58420863 XAYAQPTZRFESHW-UHFFFAOYSA-N 383.372 2.819 0 40 GFAB Cc1cc(C)c(NC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)c(C)c1 67320609 AFXOYRPGNROYCA-UHFFFAOYSA-N 377.444 2.872 0 40 GFAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccccc1F 67336816 RGJGKPPTEAGEQQ-UHFFFAOYSA-N 386.358 2.520 0 40 GFAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641287 UEINDTYCRLJSBM-KRWDZBQOSA-N 394.456 2.571 0 40 GFAB CN(C)CC[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1 72244159 NPJGLVFCNOWDJW-IBGZPJMESA-N 398.898 2.667 0 40 GFAB O=C(NCc1ccc(Cn2ccnc2)cc1)C1CCN(Cc2cccnc2)CC1 72294931 FRLKLZAOQUFEJX-UHFFFAOYSA-N 389.503 2.855 0 40 GFAB CC[C@](C)(O)CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 72304446 HPMPEOQNQNABSZ-FQEVSTJZSA-N 390.505 2.995 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@@H](N(CC)CC)C2)c1 72304981 LGKGMYWJUMNVGA-FXAWDEMLSA-N 388.556 2.912 0 40 GFAB CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)CC1 72322012 GRYDEPCBWUOGNP-IBGZPJMESA-N 390.434 2.739 0 40 GFAB biogenic,in-vitro COCCn1ccc2cc(C(=O)N3CCN(CCc4ccccn4)CC3)ccc21 79496133 VZUBZWFDSHMUNB-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB O=C(CN1CCN([C@H]2CCOC2)CC1)Nc1ccc(OCc2ccccc2)cc1 84541269 HGXNDLCQTNNNSV-NRFANRHFSA-N 395.503 2.611 0 40 GFAB CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1c1ccccc1 89375143 LUHOKNHAIFXEGW-IRXDYDNUSA-N 394.443 2.858 0 40 GFAB COCCOc1cccc(C(=O)N[C@@](C)(C(=O)O)c2cc(F)ccc2F)c1 95424524 VOUUTQVJDSEQHW-LJQANCHMSA-N 379.359 2.720 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(-c3n[nH]c(COC)n3)cc2)c1C 95478438 OQSSWGGAQZOGKN-UHFFFAOYSA-N 397.435 2.992 0 40 GFAB CCOc1ccc([C@H](N)c2n[nH]c(CNc3cccc(OC)c3)n2)cc1OC 95534262 PSYYYIFAPFVTOM-IBGZPJMESA-N 383.452 2.881 0 40 GFAB COc1ncccc1CN1CCC2(CC1)C[C@@H](NC(=O)c1cccs1)CO2 96221247 LJEAVEOJEXVPTR-MRXNPFEDSA-N 387.505 2.705 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)o1 100208298 OJUWJIOYUHTATG-OLZBZTILSA-N 394.475 2.977 0 40 GFAB CCN(C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2s1 101098113 UOKDMGXXBXCGGO-OKILXGFUSA-N 383.473 2.991 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1 219428710 LICJCKZVDOPYFX-UHFFFAOYSA-N 378.837 2.903 0 40 GFAB CC(=O)c1cccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 223876939 RAISBECPSYRECV-UHFFFAOYSA-N 382.526 2.986 0 40 GFAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225109629 PQVOJCQFDFQCQH-UHFFFAOYSA-N 385.388 2.732 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238821306 CSANRUWWUMXBSZ-HUUCEWRRSA-N 391.399 2.920 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238929546 UYNZNBWWGMNJHV-MDZRGWNJSA-N 377.400 2.619 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 251472148 LKSOQPWWEGSDRM-IHPCNDPISA-N 390.549 2.842 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516240 QQVRVMRWEQUOJG-SBHAEUEKSA-N 387.501 2.758 0 40 GFAB CC(=O)Oc1cccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)c1 254818831 CWELJUTYIIMYEY-UHFFFAOYSA-N 397.843 2.944 0 40 GFAB O=C(Cc1ccccc1)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306138952 SLPRZXCSTYQAPA-NHCUHLMSSA-N 386.455 2.534 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408526915 CUPGAGMQHKXDBG-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 408650265 ARBABJRIJJVMLF-WRNCNIFXSA-N 382.460 2.839 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc2c(c1)OCCO2 409198630 CJXXGMWQQBAWBI-OQLLNIDSSA-N 386.385 2.726 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 409380806 ILDRGXKMUCJGNK-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@H](NC(=S)N[C@@H]1CCCC[C@H]1N)C(C)(C)C 504354469 CNEVMNSDRMDKFO-KURKYZTESA-N 390.597 2.794 0 40 GFAB COc1ccc(C2(NCc3ccc4c(c3)NC(=O)CO4)CCOCC2)cc1F 513275307 DBHFDHJDIPWUBF-UHFFFAOYSA-N 386.423 2.961 0 40 GFAB O=C(NCCN1CCCC1)c1ccc(NC(=O)c2ncc3c(F)cccn23)cc1 528543430 XWTDMKYLTVAODD-UHFFFAOYSA-N 395.438 2.551 0 40 GFAB Cn1ccnc1[C@@H]1C[C@H](NC(=O)Nc2cnc(-c3ccccc3)nc2)CCO1 584155520 VCHYIIHYEJBAKB-WBVHZDCISA-N 378.436 2.919 0 40 GFAB O=C(c1cnc2sccn2c1=O)N1CCC2(CCc3ccccc3O2)CC1 620232220 YRFRMRLDSORGJN-UHFFFAOYSA-N 381.457 2.756 0 40 GFAB Cc1ccc2oc(N3CCN(C(=O)c4cccc(OCC(=O)O)c4)CC3)nc2c1 659756448 FLLUXPRTPJPGEL-UHFFFAOYSA-N 395.415 2.562 0 40 GFAB CC1(C)CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@]2(CCOC2)O1 684605124 MVEFDTKVIGDQDQ-HNNXBMFYSA-N 395.399 2.544 0 40 GFAB COc1ccccc1C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985871 ZHANPFBKCMVKKA-QFIPXVFZSA-N 380.444 2.591 0 40 GFAB COc1ccc2nc(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)sc2c1 2086886992 MPCFGEXXKZYPLC-CQSZACIVSA-N 397.447 2.768 0 40 GFAB CN([C@H]1CCCN(Cc2ccccc2Br)C1)S(=O)(=O)C1CC1 2086889673 LCXCQLVLJIDFBG-AWEZNQCLSA-N 387.343 2.838 0 40 GFAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 692114 BWOGQSCPYZXGNI-GOSISDBHSA-N 388.489 2.634 0 40 GFAB CCC[C@]1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 3465151 NOCIOXVJPQPCRH-JOCHJYFZSA-N 391.427 2.530 0 40 GFAB CC[C@H](c1nnnn1C(C)(C)C)N(CCO)Cc1cc2cc(C)ccc2[nH]c1=O 4847554 GICXFLXNWDVPNP-GOSISDBHSA-N 398.511 2.524 0 40 GFAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)c2ccccc2S1(=O)=O 4940731 UCJDZJPOLPOAMC-JTQLQIEISA-N 398.362 2.877 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1cccnc1Cl 5679229 FLHAJCGSJDKNCM-KRWDZBQOSA-N 390.852 2.519 0 40 GFAB C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5987310 BIPFHVMECGNISC-ZDUSSCGKSA-N 382.482 2.565 0 40 GFAB CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 6094457 KIBBJHMCPFCGEN-UHFFFAOYSA-N 397.456 2.554 0 40 GFAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 6218712 KZZJPYHPWZEMTG-INIZCTEOSA-N 389.814 2.971 0 40 GFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCCC2)c(=O)[nH]c1=O 6551388 AESQTIJREHSQGR-UHFFFAOYSA-N 384.480 2.642 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)NCC1(c2ccc(OC)cc2)CCOCC1)C(=O)OC 6668870 LTYMDNYLNNCWCJ-QAPCUYQASA-N 392.496 2.630 0 40 GFAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N1CCCCCC1 7298802 IZZHJMTZZREFNB-CJNGLKHVSA-N 376.478 2.824 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)NCCSCc2ccccc2)cc1 7642812 UOBDNRFQVYSMIZ-UHFFFAOYSA-N 392.546 2.713 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2cc3ccccc3o2)C1=O 7976412 LCRMPNQVJINCLD-OAQYLSRUSA-N 392.367 2.811 0 40 GFAB CCCS(=O)(=O)NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 8050979 UFRFZKRFSNIEPS-AWEZNQCLSA-N 391.511 2.732 0 40 GFAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)cc1 8117226 GGCMHJKJNSCIJF-YVLHZVERSA-N 398.440 2.754 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 8199282 YJWMYQVOJLKWNB-SFHVURJKSA-N 393.487 2.705 0 40 GFAB O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[C@H](c2nc3ccccc3s2)C1 8367486 WJYRNHKNEHWWKS-KBPBESRZSA-N 376.503 2.951 0 40 GFAB COc1ccccc1-c1noc(COC(=O)c2ccc(Cn3cncn3)cc2)n1 10655839 DKDHFUAGEPHOMO-UHFFFAOYSA-N 391.387 2.742 0 40 GFAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088552 ZHROKGYQPKMFPN-QGZVFWFLSA-N 399.458 2.690 0 40 GFAB COc1cccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1OC 12121983 ZECRMOYQBWKHAZ-UHFFFAOYSA-N 378.432 2.820 0 40 GFAB O=C(NCc1ccccn1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195407 SJOOPEXYMRNVQI-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB COC(=O)c1ccc2c(=O)n(CC(=O)NC3CCCCCC3)c(=S)[nH]c2c1 12415790 RLYIYEHHYBTZMV-UHFFFAOYSA-N 389.477 2.685 0 40 GFAB COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)N(C)C2)cc1 12530063 QDQJZAYCKFXHHD-WMZOPIPTSA-N 378.432 2.920 0 40 GFAB biogenic,in-vitro Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)n1 12591709 JGMUVHMZKVSSQH-LLVKDONJSA-N 387.383 2.714 0 40 GFAB O=C(CN1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1)Nc1ccccc1Cl 12746237 HVCYWHDSVIGHGA-NSHDSACASA-N 390.698 2.617 0 40 GFAB COc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 12782825 BUUUKSNWXFZYPO-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB CCC(CC)[C@H](CNC(=O)c1cncc(Br)c1)N1CCOCC1 12998008 HBAVVWLJAFEQIZ-INIZCTEOSA-N 384.318 2.711 0 40 GFAB CN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1c(F)cccc1Cl 13038423 MGKFQZRIZUGYQW-UHFFFAOYSA-N 381.810 2.805 0 40 GFAB COC(=O)c1sc(NC(=O)CN2CCCCCCC2)c(C(=O)OC)c1C 13141387 PBUCFDPFLISQKO-UHFFFAOYSA-N 382.482 2.834 0 40 GFAB COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)c(OC)c2)c(OC)c1 13182462 KKLAQJXGJKFKFJ-OAHLLOKOSA-N 389.404 2.667 0 40 GFAB C[C@H]1CCc2sc3ncn4nc(C(=O)NCc5cccnc5)nc4c3c2C1 13207141 FSDWNWKMMXVGPK-NSHDSACASA-N 378.461 2.789 0 40 GFAB COCCNC(=O)Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 13717244 LHCXQOPMNMIVGI-UHFFFAOYSA-N 396.487 2.679 0 40 GFAB CC(C)c1n[nH]c(SCC(=O)N2CCN(Cc3ccccc3F)CC2)n1 14245313 BRXWRPNOCQCIRD-UHFFFAOYSA-N 377.489 2.504 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 14390107 OCKDLGPSGIGWSC-UHFFFAOYSA-N 397.399 2.726 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1C 15866650 CTPACHDZLXFPNM-BLLLJJGKSA-N 375.494 2.911 0 40 GFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OC 16688305 NOHDLVGUZKXGPV-GHXNOFRVSA-N 385.825 2.957 0 40 GFAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NCc1ccc(F)cc1 16980761 CTIGSWSNNRKPHI-UHFFFAOYSA-N 397.454 2.577 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(N2CCCC2=O)c1 18085983 VXUXHLFCBUQUMY-UHFFFAOYSA-N 395.459 2.923 0 40 GFAB O=C(Cc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19348033 QCULBXZASFXIMP-OAHLLOKOSA-N 378.407 2.530 0 40 GFAB COc1ccccc1OCC(=O)N[C@@H](C)c1nc2c3c(C)c(C)oc3ncn2n1 19559523 WWENTYIJFHDFAL-LBPRGKRZSA-N 395.419 2.752 0 40 GFAB Cc1n[nH]c(C)c1CCC(=O)NCc1nnc(-c2nccc3ccccc23)o1 19578929 YUBANRRARKVBQW-UHFFFAOYSA-N 376.420 2.874 0 40 GFAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)CC3CCCC3)CC2)n1 19697510 NFIKEOWFSFZTJF-QGZVFWFLSA-N 399.539 2.750 0 40 GFAB CCCN1CCc2c(sc3c2c(NCc2cccnc2)nc2nnnn23)C1 20503961 BUTCHDLEDHQQQI-UHFFFAOYSA-N 380.481 2.509 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(C)c2)C(=O)N3)cc1 20744564 JLGRWYKGIDIQRS-MRXNPFEDSA-N 377.404 2.784 0 40 GFAB CN1CCN([C@H](CNC(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)CC1 22794621 CQABVHMYWYQMTD-LJQANCHMSA-N 377.410 2.822 0 40 GFAB COc1cccc(CSc2nc(O)cc(CC(=O)NCc3ccccn3)n2)c1 23138105 JIGARAXWYWBJTP-UHFFFAOYSA-N 396.472 2.737 0 40 GFAB O=C(Cc1ccc(Cl)cc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 23583678 MXMLQMKLLDDEHM-UHFFFAOYSA-N 390.842 2.914 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC3)N2CCOCC2)cc1 23761018 INHCSIOPGPQTQO-QFIPXVFZSA-N 380.488 2.987 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1cccc(F)c1 24016765 JWFKSRFXXDFLSF-HKUYNNGSSA-N 395.438 2.565 0 40 GFAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1 24243809 AORAQDXTMOHGFC-UHFFFAOYSA-N 392.861 2.530 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 28206665 USIZSFMEUOYAKW-UHFFFAOYSA-N 388.489 2.594 0 40 GFAB Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1S(=O)(=O)N1CCCC1 28297215 NVHJPLMXZJLBNU-UHFFFAOYSA-N 393.534 2.913 0 40 GFAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 30038831 LNNFRBFWNWNBOG-SNVBAGLBSA-N 382.392 2.630 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1 31547817 WYCZMZYMKPHZIA-UHFFFAOYSA-N 392.546 2.962 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(C)c(C)cc2C)c1 31645893 KLVUKYQNWMVNIV-UHFFFAOYSA-N 390.505 2.687 0 40 GFAB Cc1cc2oc(C(=O)N3CCN(CCc4ccncc4)CC3)cc(=O)c2cc1C 32594245 DYKUISMHSLMBMT-UHFFFAOYSA-N 391.471 2.805 0 40 GFAB CSc1nnc(SCC(=O)Nc2ccc(SC(F)F)cc2)n1N 32724528 QHYFKMBYJGADBI-UHFFFAOYSA-N 377.467 2.759 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c1C 32833705 BLXJXSNKJULBIS-UHFFFAOYSA-N 386.433 2.598 0 40 GFAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 35315604 SLGUMUVAWLKIFB-UHFFFAOYSA-N 385.445 2.611 0 40 GFAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cccnc2-n2cncn2)CC1 40121714 CDXLAHSLVNQNIL-UHFFFAOYSA-N 397.385 2.676 0 40 GFAB C=CC(=O)NCc1ccc(C(=O)N2CCC(C(=O)NCCCCC)CC2)cc1 40158165 XZGPKIWBYONQIK-UHFFFAOYSA-N 385.508 2.647 0 40 GFAB COc1ccc(CC(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)cc1 40386289 IMHFESOBOIJNEU-LJQANCHMSA-N 378.428 2.806 0 40 GFAB COCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc2[nH]1 44903085 XVOZBUOFNADEKL-GFCCVEGCSA-N 382.395 2.840 0 40 GFAB CCN(CCNC(=O)Cn1cc(Br)ccc1=O)c1cccc(C)c1 48263108 IDXQFDYMMCBHRE-UHFFFAOYSA-N 392.297 2.562 0 40 GFAB NC[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 50246619 PEJNSAIZFCACRT-ZETCQYMHSA-N 388.114 2.725 0 40 GFAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O)c1cc2ccccc2o1 57822468 AQQWIRMVPGRXCJ-RDTXWAMCSA-N 398.484 2.997 0 40 GFAB Cc1cc(C)c2c(OCC(=O)NCc3cc(-c4ccccc4)no3)nn(C)c2n1 58306680 QFWZMAGOBSZRAE-UHFFFAOYSA-N 391.431 2.935 0 40 GFAB CN(C)CCCn1cc2c(c1-c1cccc3ccccc13)c(=O)n(C)c(=O)n2C 61719983 YSAQABOWGVBTRC-UHFFFAOYSA-N 390.487 2.811 0 40 GFAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccco4)c3)n2)c1 67289375 HZHNMZULLLEHQF-UHFFFAOYSA-N 390.399 2.783 0 40 GFAB COc1cc(OC)cc(C(=O)NCC2CCN(c3nc(C)cc(C)n3)CC2)c1 72346359 RETKTOSECPXXKX-UHFFFAOYSA-N 384.480 2.757 0 40 GFAB COc1c(C)cccc1CN1CC[C@H](c2nn(CCN(C)C)c3nccnc23)C1 72391696 NEYXBAIFEAIWHS-KRWDZBQOSA-N 394.523 2.694 0 40 GFAB O=C(O)c1ccc(-n2nnnc2-c2ccc(I)s2)cc1 73641632 LHTDIXQFJZKNLZ-UHFFFAOYSA-N 398.185 2.694 0 40 GFAB Cc1nc2ccccn2c1CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 78478052 WIWIJUPIZGJHST-UHFFFAOYSA-N 381.455 2.538 0 40 GFAB COc1ccc2c(c1)N(CC(=O)NCCCN1CCCCCC1=O)CCCC2 79093105 XIDHEFKKXXPTKM-UHFFFAOYSA-N 387.524 2.747 0 40 GFAB O=C(CN1CCN(Cc2ccc(-c3ccccc3)s2)CC1)NC[C@@H]1CCCO1 84563104 NYVQFGVLWNCYGQ-IBGZPJMESA-N 399.560 2.828 0 40 GFAB CC[C@@H](CO)N(Cc1ccccc1)C(=O)CCn1cnc2sccc2c1=O 96012037 HLAZGHMSKVXGBM-INIZCTEOSA-N 385.489 2.648 0 40 GFAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@H](CN3CCOCC3)CO2)C1 96075558 FLIIGXYNECDLFU-VGOFRKELSA-N 383.492 2.511 0 40 GFAB Cc1ccc(CC(=O)N2C[C@@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)cc1 96241024 ZHFVTXSODMYBJA-FQEVSTJZSA-N 393.487 2.826 0 40 GFAB O=C(CCCNC(=O)C1CC1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1 101742725 KSZKONQNRCZRGW-QIJZPMMNSA-N 398.503 2.567 0 40 GFAB CCCc1nnsc1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206785781 FLFNZCPOBCXSCC-NSHDSACASA-N 385.415 2.913 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222467257 BGEGAZDSDUQKDA-UHFFFAOYSA-N 376.478 2.672 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 222809202 FCOGXSPXCYHOJH-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(C)=O)cc1 222973140 LPIANVQSQXKIDE-INIZCTEOSA-N 384.476 2.800 0 40 GFAB Cc1cccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1C 223918691 VVUXTNCVLHLMEO-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224828651 FGEJJDDUUZVAMV-UHFFFAOYSA-N 379.434 2.690 0 40 GFAB COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225097433 ZBAACKIYBUMLQH-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(N2CCOCC2)cc1 225753709 FQUOXVLNRINDGT-UHFFFAOYSA-N 395.507 2.523 0 40 GFAB COc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225951400 VJRNMBGBMRQFNN-INIZCTEOSA-N 382.869 2.968 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cccc(Cl)c2)NS(C)(=O)=O)cc1 225955629 HRPNERMRVZXKSB-INIZCTEOSA-N 382.869 2.968 0 40 GFAB COc1cccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cnc(OC)nc3OC)C2)c1 247912092 VAVFHSYGOBHXAC-DKZVUGQWSA-N 399.491 2.622 0 40 GFAB COc1ccc(-c2cccc([C@H]3CN(C(=O)c4ccc(N)nc4)CCO3)n2)cc1 257265110 LXJDZTNXVDYETE-HXUWFJFHSA-N 390.443 2.948 0 40 GFAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306124015 BDBPGRQWSJNXBW-HUUCEWRRSA-N 385.899 2.518 0 40 GFAB CN1CC2(CCN(C(=O)c3ccco3)CC2)c2nc(C(C)(C)C)ncc2C1=O 306142333 WWEZQNMPRCYQGW-UHFFFAOYSA-N 382.464 2.627 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1ccccc1 408550498 CWSGKVSOVFOSAW-HUUCEWRRSA-N 376.478 2.548 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1C 408551713 IIOXJNGAYNRPMQ-ZDUSSCGKSA-N 390.461 2.512 0 40 GFAB CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408607030 PTBOZFFSEWPTOE-UHFFFAOYSA-N 376.478 2.734 0 40 GFAB COCCN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 409136985 UISGTTWNQDNBLW-DHZHZOJOSA-N 389.214 2.974 0 40 GFAB O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)N1CC[C@H](Oc2ccncc2)C1 510401626 IRQOTUNSJGZJHO-POAQFYNOSA-N 397.450 2.653 0 40 GFAB O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC(c2ccncc2)CC1 514660144 UWXNGJIZTLSXEG-IBGZPJMESA-N 382.439 2.915 0 40 GFAB Cn1cc([C@@H]2OCC[C@H]2CNC(=O)NCC2CCc3ccccc3CC2)cn1 528016259 RVVBTOYWRBPFRM-PZJWPPBQSA-N 382.508 2.992 0 40 GFAB CC(C)c1cccc(O[C@H](C(=O)NC[C@@H](C)S(N)(=O)=O)c2ccccc2)c1 542919517 AKOATBZUXUKFEE-BEFAXECRSA-N 390.505 2.723 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)c2c(C)nsc2C)CC1 556903547 NYOZBTSASIIMIB-UHFFFAOYSA-N 399.476 2.983 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414972 VOIGNAIGLINKPN-MSOLQXFVSA-N 391.514 2.750 0 40 GFAB CSc1ncccc1C(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575616912 LHRMJMNLFGMSKT-AWEZNQCLSA-N 380.473 2.991 0 40 GFAB O=S(=O)(NCc1nccnc1-c1ccsc1)c1cccc2nsnc12 575618186 FFPVXLNJUSQIMO-UHFFFAOYSA-N 389.487 2.688 0 40 GFAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(O)C1)C2 585107198 RIVKABXDMMKJKF-KXXGJQBSSA-N 394.519 2.937 0 40 GFAB CN(C(=O)Cn1nc(C(F)F)cc1C1CC1)[C@@H]1CCCN(c2cccnn2)C1 635580935 OELYUMHMEAPUAM-CQSZACIVSA-N 390.438 2.616 0 40 GFAB CC(C)COc1ccc(C(C)(C)CNC(=O)N2CCC(=O)N(C)CC2)cc1 664028336 OQYBBBZATFGJGK-UHFFFAOYSA-N 375.513 2.873 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ccc(F)c(F)c4)CC3)ncn2)n1 1889191922 YFUGVIMOHMZFKL-UHFFFAOYSA-N 384.434 2.880 0 40 GFAB Cc1cccc(CN(Cc2ccccn2)C(=O)Cn2c(C)cc(O)cc2=O)c1 79054674 KVHCKDOMSCQAMS-UHFFFAOYSA-N 377.444 2.795 0 40 GFAB COc1ccccc1OCCCN1C(=O)[C@@](O)(CC(C)=O)c2cc(C)ccc21 4987940 BEHLBDPIEFOCMP-JOCHJYFZSA-N 383.444 2.986 0 40 GFAB CC(C)(C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 6467441 BTVVYANVUNVVAJ-UHFFFAOYSA-N 386.473 2.795 0 40 GFAB O=C(CNS(=O)(=O)c1ccccc1F)NCc1ccc(Cl)cc1Cl 6508413 BSEQHHBURMCAHN-UHFFFAOYSA-N 391.251 2.727 0 40 GFAB CS(=O)(=O)c1cc(C(=O)NCCc2nc3ccccc3[nH]2)ccc1Cl 12520820 HEHCAOQUEJKYOQ-UHFFFAOYSA-N 377.853 2.592 0 40 GFAB COc1cc(NC(=O)N2CCC(NC(=O)C3CC3)CC2)c(OC)cc1Cl 43449507 AJBVYEVREAIOKW-UHFFFAOYSA-N 381.860 2.880 0 40 GFAB C[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccc(S(N)(=O)=O)c1 71062311 LOFUJKUHXXEKFL-LLVKDONJSA-N 392.864 2.641 0 40 GFAB CC1(C)CC(NC(=O)CCC(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 1504285 KVGKANWUAULXNI-UHFFFAOYSA-N 394.604 2.617 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 12638562 YADHUKRLCFLCOQ-UHFFFAOYSA-N 380.492 2.505 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccc(-n2cnnn2)cc1 57991969 VGWOTTWLYDUXLX-UHFFFAOYSA-N 379.424 2.700 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491027 LJRHBGRTIIZNPC-CQSZACIVSA-N 385.489 2.745 0 40 GFAB COCCN(Cc1cccs1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 52537149 GFAYDWDRVQLMDK-UHFFFAOYSA-N 394.518 2.712 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 27753393 WKCNZDGIXSEECA-UHFFFAOYSA-N 379.416 2.992 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)cc1 28609591 MMYODLSGIKWCGP-MRXNPFEDSA-N 384.407 2.665 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 12768893 ZPBOBXLEFOVQIJ-MRXNPFEDSA-N 384.407 2.642 0 40 GFAB COc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)c(OC)c1 2357399 LSJIYVSVHFZFEN-UHFFFAOYSA-N 376.390 2.684 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1 58972883 PRBYWHHWZIUNJG-CALCHBBNSA-N 380.554 2.968 0 40 GFAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1nc2ncccn2n1 36618783 VKJFISAPNGNBNX-UHFFFAOYSA-N 388.218 2.928 0 40 GFAB COc1cc(CNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)ccc1OCCC(C)C 46724516 ORZDVKGPKIRMCK-DOTOQJQBSA-N 376.497 2.899 0 40 GFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1OC 13344438 QTSQLMTYEXWVFO-ZZXKWVIFSA-N 399.371 2.881 0 40 GFAB COc1ccc(CNS(=O)(=O)c2c(Cl)ccnc2Cl)cc1OC 95452562 OYBCMOPOLKSQFE-UHFFFAOYSA-N 377.249 2.884 0 40 GFAB O=C1C[S@](=O)[C@H](c2ccccc2)C(=O)N1c1ccc(Br)cc1 5279687 OPYZBTONNAVBLW-IVZQSRNASA-N 378.247 2.812 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 14190571 JMCHSFGVBUFLRG-HAVBXNNZSA-N 395.503 2.931 0 40 GFAB Cn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(=O)n3ccccc3nc21 6586672 LOUZIGKNBZPSNE-UHFFFAOYSA-N 385.427 2.640 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 6602790 HCSUBUWVPAELMO-RTBURBONSA-N 394.471 2.557 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccc2)N1Cc1ccncc1 9421969 SZQPVPDNWIBFPY-CTNGQTDRSA-N 380.469 2.931 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)CN(C2CC2)[C@@H]2CCCc3ccccc32)cc1 67712244 OATZIQPYAXLVMV-HXUWFJFHSA-N 399.516 2.815 0 40 GFAB O=S(=O)(CC1CCCCC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 90445775 DPKOJYKZPGGPFI-UHFFFAOYSA-N 376.526 2.591 0 40 GFAB COC(=O)[C@](NC[C@H]1CCCO1)(NC(=O)CCC1CCCCC1)C(F)(F)F 19848879 VZURSNFNPHEJLE-PBHICJAKSA-N 394.434 2.663 0 40 GFAB CCCc1nc2c3ccccc3n(CC(=O)c3cccc(OC)c3)c(=O)n2n1 69321344 VOXWCQGDIACQQZ-UHFFFAOYSA-N 376.416 2.888 0 40 GFAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(F)cc1 20046003 AVSQNMRBEOSJTO-CHWSQXEVSA-N 382.432 2.997 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccc2Cl)nn1C 72405335 ODMOFWKEKXIKBN-ZDUSSCGKSA-N 381.885 2.765 0 40 GFAB O=C(NCc1cccs1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709224 QCHQUTBTOQBOHV-UHFFFAOYSA-N 383.429 2.526 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 408590632 HHWKJUSVQASAHS-OQLLNIDSSA-N 386.791 2.896 0 40 GFAB CCOc1cccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1OCC(=O)O 409350538 YISAECLDNHBQNS-WJDWOHSUSA-N 396.399 2.642 0 40 GFAB Cc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)o1 534322645 TWPRLPLUHIZVIE-INIZCTEOSA-N 377.238 2.593 0 40 GFAB CCOc1ccc2cc(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)[nH]c2c1 552381749 IPSGCVMMUHGGOH-MRXNPFEDSA-N 385.386 2.560 0 40 GFAB CC(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 72389121 WTNINDLJBJDDLJ-QFIPXVFZSA-N 384.451 2.774 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)cc1 675007842 UKBCJGVFXSHWDQ-MRXNPFEDSA-N 385.445 2.839 0 40 GFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 71288687 MJLRIFZRTSPKQX-ROUUACIJSA-N 382.416 2.999 0 40 GFAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccc2[nH]ccc2c1 44890681 IQYRPVSDQIXVMO-UHFFFAOYSA-N 391.475 2.634 0 40 GFAB CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(OC)cc2)S(C)(=O)=O)cc1 220268202 NQSGSTTWHHQDDL-HNNXBMFYSA-N 390.505 2.729 0 40 GFAB Cc1ncc2c(c1-c1noc(-c3ccc(N4CCN(C)CC4)cc3)n1)CCNC2 20271829 SILDXDBKGQHWAC-UHFFFAOYSA-N 390.491 2.505 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96076512 NMSDDDDIMFNKNT-QFIPXVFZSA-N 391.475 2.717 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCc2onc(COc3cccnc3)c2C1 96260045 MBVOBZQIOISLLT-UHFFFAOYSA-N 379.372 2.576 0 40 GFAB CCS(=O)(=O)[C@](Br)(I)C(=O)C(C)(C)C 96518575 QASBWTSXDDGQMY-MRVPVSSYSA-N 397.072 2.520 0 40 GFAB NC(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)Cc2cccs2)CC1 257222557 DTSPFJMQTFWNNH-UHFFFAOYSA-N 390.480 2.993 0 40 GFAB CC(C)n1nccc1-c1ccc(C[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1 257215697 CRGRHFUGXOLZHJ-KRWDZBQOSA-N 391.541 2.587 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3ccncn3)CC2)n1 257267910 MJJXVGXBQONMTB-UHFFFAOYSA-N 378.436 2.867 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C 664360488 SWCCSRSWALAYRT-SVMSGLSLSA-N 384.480 2.811 0 40 GFAB CO[C@@H](C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)[C@@H]1CCOC1 668648100 UEXWDABXNCNDRW-RHSMWYFYSA-N 384.461 2.986 0 40 GFAB C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CC1CC1 612809269 ONKHISIYXSGEQK-DNVCBOLYSA-N 393.557 2.625 0 40 GFAB Cc1ncc2c(n1)CCN(S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C2 615225147 YAHLZFBQINJEEU-UHFFFAOYSA-N 389.811 2.787 0 40 GFAB O=C(N[C@@H]1CC2(CCNCC2)Oc2ccccc21)[C@H]1CNCc2ccccc21 1122224719 OVVKCQXCTHWXEP-VQTJNVASSA-N 377.488 2.636 0 40 GFAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1 575404161 MOUXULXOAAIIPW-SFHVURJKSA-N 392.459 2.729 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1cnccc1N1CCCCC1 95958983 DJBNJPWTYIWPQU-UHFFFAOYSA-N 380.448 2.826 0 40 GFAB Cn1c(N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)nc2ccccc21 12116421 ZOGQBZVLGOEVGH-INIZCTEOSA-N 392.459 2.835 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 12472142 HCGXLWVSOFVHNR-WMLDXEAASA-N 382.512 2.524 0 40 GFAB Cc1cc(-c2cnn(CCNC(=O)Cc3nonc3C)c2-c2cccs2)on1 13226742 GUURTQYQUKFJAN-UHFFFAOYSA-N 398.448 2.625 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 13554517 WRRUROFEEKQBIT-AKHDSKFASA-N 378.403 2.661 0 40 GFAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)on1 13597065 CVXSZYFAAYRCBS-LBPRGKRZSA-N 383.857 2.676 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 13674268 ZWTSOWWQDOOSMM-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CCc1nnc2ccc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nn12 13700593 FLTAWXGLNJJKHI-UHFFFAOYSA-N 379.468 2.658 0 40 GFAB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)C1=O 15009405 JFWAVIAXKPMKTM-RIYZIHGNSA-N 387.369 2.854 0 40 GFAB CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 19589344 GREDHTBMIOQSCM-YLJYHZDGSA-N 381.451 2.694 0 40 GFAB CCc1nc(-c2cncnc2[C@@H]2CN(Cc3cccc(OC)c3)CCO2)no1 19693688 CSFFNQGPCGJJBF-KRWDZBQOSA-N 381.436 2.671 0 40 GFAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCN2C(=O)C2CCCC2)C1 19707215 JUJJGZUNEZNIIG-OAHLLOKOSA-N 389.500 2.883 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2c(C)nn(C)c2C)cc1C(C)(C)C 19715533 GYONFEGYSZPBLP-UHFFFAOYSA-N 379.526 2.864 0 40 GFAB COc1cccc(-c2ccc(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)c(=O)[nH]2)c1 19717209 TVDPDTFVWWOVGY-CYBMUJFWSA-N 394.475 2.762 0 40 GFAB COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2F)C3)s1 100142659 TXQBEDAWPICURB-RYUDHWBXSA-N 390.436 2.724 0 40 GFAB COc1cccc([C@H](O)CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1 12188462 CTBDHAMEGBHWFP-OAQYLSRUSA-N 386.467 2.995 0 40 GFAB Cn1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cn1 12365967 NZLSNWAXKIKPAO-GOSISDBHSA-N 388.493 2.611 0 40 GFAB O=C(Nc1ccc2c(c1F)CCNC2=O)c1cccc(Oc2cnccn2)c1 560155174 VTDOJCQFBAVQBO-UHFFFAOYSA-N 378.363 2.946 0 40 GFAB C[C@H](Cc1cccnc1)NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 1685651058 BCYSZSDFHDYJOP-OAHLLOKOSA-N 386.883 2.720 0 40 GFAB C[C@@H]1CN(C(=O)c2cc(F)ncc2F)C[C@]12CCN(c1ccsc1)C2=O 1614935119 UYCIEPAIWQTFQD-ADLMAVQZSA-N 377.416 2.937 0 40 GFAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)ncn2)n1 2087045444 GTOQJQVATCQSTD-HOTGVXAUSA-N 384.484 2.582 0 40 GFAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2)c1ccc2c(c1)OCO2 4224589 JMQREXFJZWBXGT-MHZLTWQESA-N 381.413 2.616 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940797 PWGKJELHVISNNS-NSHDSACASA-N 378.837 2.820 0 40 GFAB COc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 9040669 FFLRFPNTZLTOHM-CYBMUJFWSA-N 383.404 2.599 0 40 GFAB Cc1cccc(CC(=O)Nn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 11665766 RRILRFDVBSCNSH-UHFFFAOYSA-N 393.834 2.857 0 40 GFAB O=C(NCc1ccccn1)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 12360434 ZZKRHZSZMIHLJU-UHFFFAOYSA-N 384.346 2.730 0 40 GFAB Cn1nc2cc(Br)ccc2c1C(=O)N1CC(Oc2nccs2)C1 208031744 AISNYPFQZIAQTI-UHFFFAOYSA-N 393.266 2.696 0 40 GFAB COc1ccc(CCC(=O)Nc2cc3c(cc2F)N(C)S(=O)(=O)N3C)cc1 575611945 IYMOOWRFYAJYDX-UHFFFAOYSA-N 393.440 2.536 0 40 GFAB COC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100909422 OAQUZBGICZJULB-WBVHZDCISA-N 397.818 2.556 0 40 GFAB C[C@H]1CCc2sc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)cc2C1 32891507 NQEATEGCMVEISV-HNNXBMFYSA-N 384.549 2.950 0 40 GFAB CCCOc1ccc(C(F)(F)F)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@H]21 32912788 YZSPBHPLQTWPHP-GXFFZTMASA-N 377.384 2.644 0 40 GFAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 32930888 ORKFZFIDOVTHAI-CABCVRRESA-N 384.446 2.917 0 40 GFAB O=C(C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)N1CCCC1 52971690 FDIDSCKQODROSZ-UHFFFAOYSA-N 375.472 2.523 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCCN1C(=O)c1ccco1 41969580 IKOINNXSBJPGOC-QGZVFWFLSA-N 383.448 2.917 0 40 GFAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)nc21 882669 KCVPDEYZLRNMMF-UHFFFAOYSA-N 393.428 2.976 0 40 GFAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2157486 VGTIGKWWIQGPNY-QWHCGFSZSA-N 375.421 2.801 0 40 GFAB biogenic COCCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O 2619521 BDIDYQVDFMXQSX-UHFFFAOYSA-N 385.489 2.973 0 40 GFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NC(=O)C1CC1 3257455 JFBQHMADWHTUSK-UHFFFAOYSA-N 393.509 2.544 0 40 GFAB CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 3554543 CHZHWSMKRIDGSQ-SFHVURJKSA-N 376.453 2.640 0 40 GFAB CN(Cc1ccccc1)C(=O)C[C@@H]1[C@H](O)CC[C@@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4236963 VBUNZZDOPDHHED-HUCDYXQFSA-N 389.536 2.582 0 40 GFAB biogenic,in-vitro CCc1ccc(N2C(=O)S[C@@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 4335321 ZNYYTZDEWUZPCF-OAHLLOKOSA-N 391.474 2.534 0 40 GFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2OC)CC1 4712229 OKIVELOVSRIPHG-UHFFFAOYSA-N 397.475 2.876 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2)c1 4985843 GKSBAVFCKAOMAN-GOSISDBHSA-N 392.419 2.618 0 40 GFAB COCCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 5028496 SBMCUDOMHSDJIZ-SFHVURJKSA-N 381.432 2.889 0 40 GFAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Br)o1 5463813 UXUCRNPBJBIRDQ-OAHLLOKOSA-N 394.221 2.799 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)COc2ccc(Br)cc2)C1 5505929 YDNYCIRMIJBHHF-STQMWFEESA-N 384.270 2.876 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1 6081744 YHSPZNRMJXAWOO-FUHWJXTLSA-N 380.444 2.769 0 40 GFAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)cc1OC 6948450 CQOWRDZVOXXUJS-WJDWOHSUSA-N 392.477 2.999 0 40 GFAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(N)=O 6960644 BPUGMCLYOYRCOL-MHWRWJLKSA-N 379.416 2.804 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)c(OC)c1 7881537 QSMQQSXEDNPVBD-MRXNPFEDSA-N 397.427 2.791 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OC)C1=O 8088288 JPVBEPYDMGYGFI-SFQUDFHCSA-N 379.416 2.789 0 40 GFAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NC(C)C 8475920 DGGMDSJCYYTOKM-UHFFFAOYSA-N 390.461 2.837 0 40 GFAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 8864188 UQUKDJJZDWBVQO-KRWDZBQOSA-N 391.924 2.971 0 40 GFAB O=C(CSc1nc2ccccc2c(=O)n1Nc1ccccc1)N1CCCC1 9113909 MXFQBTCWXFXLSO-UHFFFAOYSA-N 380.473 2.986 0 40 GFAB O=C(NCc1ccccc1)c1cccc(OCn2nnc3ccccc3c2=O)c1 9376857 CIYRHILQXQWOAS-UHFFFAOYSA-N 386.411 2.758 0 40 GFAB O=C(CSc1nccn(-c2ccc3c(c2)OCCO3)c1=O)Nc1ccccc1 9761358 HUOWMEMPUUVOQW-UHFFFAOYSA-N 395.440 2.735 0 40 GFAB CCN1CCC2(CC1)CN(C(=O)c1cnn(C)c1C)Cc1cc(C)ccc1O2 12365231 CLAHHLRFSULAID-UHFFFAOYSA-N 382.508 2.926 0 40 GFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(F)ccc1-n1cnnn1 12389860 MUYAYLXCBSMNHB-UHFFFAOYSA-N 384.802 2.909 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O 12541124 PCNOANZQYUVWLC-UHFFFAOYSA-N 385.443 2.624 0 40 GFAB Cn1c(=O)c2ccccc2n2c(COc3ccccc3Br)nnc12 12561606 FPZSNQHIENPKJQ-UHFFFAOYSA-N 385.221 2.923 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 12604619 ZVLNZSPRPSNDAQ-UHFFFAOYSA-N 391.445 2.986 0 40 GFAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCOCC1 12822497 FWRXQYUDPXVTJK-UHFFFAOYSA-N 381.354 2.549 0 40 GFAB CC(=O)N[C@@H](C)c1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 13009293 OSVXLQHYRVNOJT-LBPRGKRZSA-N 383.379 2.722 0 40 GFAB CCOC(=O)N1CCC(NC(=O)CSc2ncnc3sccc23)CC1 14019477 SPHAACMPGYMYPM-UHFFFAOYSA-N 380.495 2.521 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 14093985 ZFXMGGSSQCKWJE-UHFFFAOYSA-N 377.447 2.906 0 40 GFAB C[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)N1c2ccccc2C[C@H]1C 14148213 SEDHUENNNSUOGG-CVEARBPZSA-N 390.443 2.850 0 40 GFAB NC(=O)Cn1c(CSc2nc3ccccc3s2)nc2ccccc2c1=O 18036124 XHLWBDGZBKFRNB-UHFFFAOYSA-N 382.470 2.784 0 40 GFAB COc1cc(C)c(CN(C)S(=O)(=O)c2cccc3nsnc23)cc1OC 19079209 ZFRBAJCFDHVNGE-UHFFFAOYSA-N 393.490 2.838 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)CCc2ccc3c(c2)C[C@@H](C)O3)CC1 19287856 QHVWDIVFJMMWKE-MRXNPFEDSA-N 383.492 2.501 0 40 GFAB Cn1ccnc1-c1nn(CCNC(=O)[C@H]2CCCO2)cc1-c1ccc(Cl)cc1 19291544 MRORZRTUNQVHSY-QGZVFWFLSA-N 399.882 2.899 0 40 GFAB C[C@H]1CN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C[C@@H](C)O1 19497356 PPGJDRVUFWOPHX-GASCZTMLSA-N 387.505 2.896 0 40 GFAB C[C@@H]1CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C[C@@H](C)O1 19497515 IEMYQYRIHPTOKL-CHWSQXEVSA-N 398.429 2.704 0 40 GFAB CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 19528007 SQEGAQVJNXYMCQ-OAQYLSRUSA-N 394.498 2.782 0 40 GFAB CCN1C(=O)N(CC(=O)N2CCOc3ccccc32)c2cccnc2N1CC 19528331 COWBMWRBRPVZSE-UHFFFAOYSA-N 381.436 2.510 0 40 GFAB CCOc1ncccc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 19531462 IQPIUYYYEMZBKE-SFHVURJKSA-N 381.480 2.626 0 40 GFAB Nc1ncc(-c2ccc([C@H]3CCCN(CC(=O)NC4CCCCC4)C3)nc2)cn1 19688607 AABKYHKGNYSDMO-KRWDZBQOSA-N 394.523 2.749 0 40 GFAB CCN(C)[C@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C2(CCCCC2)C1 19704007 JODYUUMDZLYGAU-GOSISDBHSA-N 392.565 2.888 0 40 GFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCCN4C(C)=O)nc32)cc1 19740239 LZKUQAQZQHBTBP-LJQANCHMSA-N 394.475 2.956 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 20011940 RAFVLGMIGUMSNV-ZDUSSCGKSA-N 396.896 2.847 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1 22286037 GFEBJUJVWZXWDY-UHFFFAOYSA-N 381.475 2.526 0 40 GFAB CCOC(=O)[C@@H](C)Sc1nnc(N2CCN(c3ccccc3)CC2)s1 23140118 XWZFPCLGILFXCN-CYBMUJFWSA-N 378.523 2.908 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 24593870 GOIFZMFFJBWUEE-LJQANCHMSA-N 393.487 2.749 0 40 GFAB CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 26542408 YZLCSMUIRSVFMC-UHFFFAOYSA-N 383.466 2.909 0 40 GFAB CC(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 27983844 DHJOVQVUVRXSMR-HNNXBMFYSA-N 377.462 2.899 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 30848809 LYSWJXAOCQVBLY-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2C)n(C)c1 32215589 YBIJPADOQOUMHN-ZDUSSCGKSA-N 395.550 2.877 0 40 GFAB C[C@@H]1CCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)c2ccccc2S1 35488987 FFDCLXTUKAFWLC-BEFAXECRSA-N 395.528 2.816 0 40 GFAB CCN(CC)[C@H](CNC(=O)CN1C(=O)COc2ccccc21)c1ccccc1 36692834 ZFQVGOVGNHFKAI-LJQANCHMSA-N 381.476 2.611 0 40 GFAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N(Cc1c(F)cccc1Cl)C1CC1 40033824 LYLQPDVARODENJ-UHFFFAOYSA-N 387.798 2.814 0 40 GFAB Cc1nc(C)c(CC(=O)NCCc2ccc(-c3csc(C)n3)cc2)c(=O)[nH]1 42358733 JGJRLEQTYVZWPZ-UHFFFAOYSA-N 382.489 2.720 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCCCC1 43175697 YLDCBIMOKWTQCK-UHFFFAOYSA-N 381.498 2.506 0 40 GFAB C[C@]1(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CCS(=O)(=O)C1 49959175 SWEWXYOYKACIEE-KRWDZBQOSA-N 376.459 2.863 0 40 GFAB CC1=NN(c2ccc(C(=O)NCCN3CCN(c4ccccc4)CC3)cc2)CC1 52567038 BRKKRBRKYRNZIY-UHFFFAOYSA-N 391.519 2.825 0 40 GFAB CC(=O)Nc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)cc1 57526592 HFEYHQKNGUNCGB-UHFFFAOYSA-N 376.416 2.816 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1S(=O)(=O)CC 57778139 VUMBWSBAABYLPL-UHFFFAOYSA-N 375.446 2.871 0 40 GFAB CCCS(=O)(=O)[C@@H](C)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 60323128 VGEIMMNCANTQBJ-ZDUSSCGKSA-N 380.441 2.843 0 40 GFAB COc1ccc(CN2CCC(CNC(=O)Nc3cccc(C(N)=O)c3)CC2)cc1 63389869 DBOVTGKLHPGDLV-UHFFFAOYSA-N 396.491 2.828 0 40 GFAB Cc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c1 67300915 KHZSLBIAPVLPPV-UHFFFAOYSA-N 395.434 2.840 0 40 GFAB CC(C)c1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3N)CC2)cc1 70461879 JEIKQGZUTBTLCQ-UHFFFAOYSA-N 390.491 2.935 0 40 GFAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 71327807 PEGDFZYBZIAGQV-UHFFFAOYSA-N 381.432 2.710 0 40 GFAB CC(C)Oc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 72081402 LOQSBGCUEROYPI-LBPRGKRZSA-N 379.400 2.544 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)Nc2nccs2)n1C 72191928 GSTCCFRTXAQDPW-UHFFFAOYSA-N 391.478 2.590 0 40 GFAB CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(CN2CCCC2)cc1 95957377 BCHKSCLZJLZPLQ-IBGZPJMESA-N 389.565 2.960 0 40 GFAB CN(C)C(=O)[C@]12CCCN(C(=O)CC(C)(C)C)C[C@H]1CN(c1ccccn1)C2 96251280 KVRUAXFYGMIWCX-JTSKRJEESA-N 386.540 2.651 0 40 GFAB C[S@@](=O)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 107352693 ACFXYGRIOXBXJW-LWKFIDHYSA-N 396.940 2.608 0 40 GFAB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637785 JNSQTTRHHRXQIG-SFHVURJKSA-N 392.477 2.887 0 40 GFAB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccccc1 224664885 XYRAIHOLWJWUFS-UHFFFAOYSA-N 391.445 2.622 0 40 GFAB Cn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCOCC4)cc3)ccc21 225021794 QSEKRBOWGCCMKB-UHFFFAOYSA-N 383.473 2.685 0 40 GFAB CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 283650760 DGYQNKURKPRNEJ-UHFFFAOYSA-N 384.509 2.764 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831832 VIEHRFJQNIWZSY-UHFFFAOYSA-N 390.505 2.830 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 408602901 BITALJSSKSQXEH-INIZCTEOSA-N 392.496 2.725 0 40 GFAB Cc1nn(C)cc1CC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 556302399 JYAXDGKOBUIIGE-XMSQKQJNSA-N 391.475 2.901 0 40 GFAB CN1CCC(n2cc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cn2)CC1 639704794 NOSNZFYOCUPKLY-IBGZPJMESA-N 385.468 2.962 0 40 GFAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(CCc3ccccc3)C2)C1 1201596522 GKNNZJNWQLKBSU-QHCPKHFHSA-N 392.503 2.894 0 40 GFAB COC(=O)[C@H]1C[C@@H](N(C)Cc2ccccc2)CCN1C(=O)c1cc(C2CC2)on1 1565547655 RCCFWIAFLSFPRU-PKOBYXMFSA-N 397.475 2.830 0 40 GFAB O=C(NCC1(N2CCSCC2)CCOCC1)c1ccc2ncsc2c1 1888853543 YCAZKXGEQGTBNT-UHFFFAOYSA-N 377.535 2.624 0 40 GFAB COc1ccccc1NC(=O)N1C[C@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888904112 RTGBRUFRGDHSTE-HZPDHXFCSA-N 393.491 2.882 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840428 MLMBTCCODWWRPR-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB Cc1ccnc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037988730 GHIGIBZCYPDBTD-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB CN(C1CCN(c2nc3c(F)cc(F)cc3s2)CC1)S(=O)(=O)C1CC1 2086889708 RDJDAHRQLZUWOI-UHFFFAOYSA-N 387.477 2.967 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H]3CN(c4ccc(F)cn4)C[C@H]32)cc1OC 2087144445 BSOHHWKQKJDEQP-DOTOQJQBSA-N 385.439 2.518 0 40 GFAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCCSCc1ccccc1 72287769 VATRICQGHFGMBV-LJQANCHMSA-N 381.505 2.815 0 40 GFAB O=C(CN1CCN(Cc2ccccc2F)CC1)NCc1cccc(Cl)c1 22786131 ZAFPJMLUAZWHNG-UHFFFAOYSA-N 375.875 2.913 0 40 GFAB CC(C)N1C(=O)C(=O)N(CN2CCCC[C@@H]2c2nc3ccccc3s2)C1=O 23805841 GAXDBBGHZQYLNT-CQSZACIVSA-N 386.477 2.980 0 40 GFAB COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 4560391 OXZLZVXHFLRKFX-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCC2 105697078 CCZYPIOMUJIYTK-SDDRHHMPSA-N 376.478 2.644 0 40 GFAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818441 AYRIXCOTBQJLJL-UHFFFAOYSA-N 398.853 2.862 0 40 GFAB Cc1cccc(C(=O)NCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1 12559610 YSOJFUUHQORVLY-LJQANCHMSA-N 380.423 2.503 0 40 GFAB CCN(CC(=O)NC(C)(C)C)C(=O)CSc1ccc(C(F)(F)F)cn1 47982734 WMIGQFONLVHCCJ-UHFFFAOYSA-N 377.432 2.956 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@@H]3N2Cc2ccccn2)cc1 100221776 JCCBQIVZLCZLNY-PXNSSMCTSA-N 394.500 2.933 0 40 GFAB CCCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)CC)CC3 100234846 COUIPBXVOKIXOB-KRWDZBQOSA-N 399.495 2.583 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N1CCOCC1)CC2 35335094 LUDKYSZNSYRYLO-QHCPKHFHSA-N 396.487 2.510 0 40 GFAB COc1cc(CC(=O)OCC(=O)Nc2ccccc2F)cc(OC)c1OC 3238840 IFYMVLHWWVFWRW-UHFFFAOYSA-N 377.368 2.576 0 40 GFAB Cc1ccc(C)c(N2C(=O)C[C@H](N3CCN(c4ccccc4F)CC3)C2=O)c1 101274301 KDKUHACSARWWML-FQEVSTJZSA-N 381.451 2.897 0 40 GFAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccccc1C(C)=O 3284271 ORMRXLPAZJKERC-UHFFFAOYSA-N 376.796 2.929 0 40 GFAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(c2cccc(Cl)c2)CC1 48209845 JVRPRXJILSIHKU-UHFFFAOYSA-N 386.883 2.867 0 40 GFAB CCOc1ccc2nc(NC(=O)COc3ccc(-n4cnnn4)cc3)sc2c1 27912939 YISQVVXDAQBQGV-UHFFFAOYSA-N 396.432 2.688 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NC3CCC(C(F)(F)F)CC3)ccc2N1 12767762 WTCMVJYRWSCYOZ-UHFFFAOYSA-N 376.400 2.971 0 40 GFAB O=C(NCC(F)(F)F)c1ccccc1NCc1nnnn1-c1ccccc1 53144185 PISXEYVGTVSSSP-UHFFFAOYSA-N 376.342 2.567 0 40 GFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]4C2=O)no1 101450877 RDSAJCPALDIDSY-ZIGSKRJUSA-N 385.807 2.562 0 40 GFAB COc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)c2nccn2C)cc1 10750222 VNJXEGNDPSGVQY-FQEVSTJZSA-N 397.500 2.985 0 40 GFAB CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36369927 HSIWBIZAAAYYKV-UHFFFAOYSA-N 395.463 2.686 0 40 GFAB biogenic CCCSc1nsc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 3353240 NMIMGTZDRQBLFO-UHFFFAOYSA-N 386.524 2.543 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)c(OC)c1 2395726 ZEJRPXXQMRWAIG-UHFFFAOYSA-N 391.497 2.788 0 40 GFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NC1CCCCC1)=C2C 20063919 LGTSIFHHHOAQAW-UHFFFAOYSA-N 394.493 2.663 0 40 GFAB NC(=O)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 36727952 JIOUUCZMLBSSDB-KRWDZBQOSA-N 399.878 2.608 0 40 GFAB CC1CCN(c2nnc(S[C@@H](C)C(=O)NC(C)C)n2C[C@H]2CCCO2)CC1 11747541 JNGZYJWRRSQDDK-JKSUJKDBSA-N 395.573 2.699 0 40 GFAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 46361182 NDOAYRPVFZJKLN-UHFFFAOYSA-N 376.416 2.640 0 40 GFAB O=C(CCOc1ccc(Cl)cc1)NCc1cccnc1N1CCOCC1 46575493 CMOIFWGGFKJMCL-UHFFFAOYSA-N 375.856 2.657 0 40 GFAB O=C(O)CC1(CNC(=O)Cn2nc(-c3cccs3)ccc2=O)CCCCC1 49544472 WEJZIXZXTHLYCV-UHFFFAOYSA-N 389.477 2.513 0 40 GFAB CCc1nnc(NC(=O)CSc2nnnn2-c2cc(Cl)ccc2C)s1 5015511 YDVUVSYTZXHVPB-UHFFFAOYSA-N 395.901 2.769 0 40 GFAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccccc1 71328257 WQSCERXLMZXGPB-UHFFFAOYSA-N 375.388 2.702 0 40 GFAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)N1CCOCC1 13844447 PKZACMUHIDVMGD-JOCHJYFZSA-N 389.455 2.962 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1Cc1cc2c(cc1Br)OCCO2 5292906 YVZCOJXTPHTCGF-UHFFFAOYSA-N 381.226 2.585 0 40 GFAB CCOc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 14069167 WYBHTDDAJBURRZ-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN12 5321355 DMCLCFCWODYPFH-MKXGPGLRSA-N 396.393 2.800 0 40 GFAB CC(C)N1CCC(NS(=O)(=O)c2c(F)cc(F)cc2Br)CC1 6588873 BHQGGFHULDQWCM-UHFFFAOYSA-N 397.285 2.878 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCC1CCCCC1 5703896 AIZRLEBRJLFJJJ-UHFFFAOYSA-N 397.566 2.655 0 40 GFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118913240 SHIBSTMRCDJXLN-VSAVTTGMSA-N 390.520 2.575 0 40 GFAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCc3ccccc32)c1 6822504 ICHFWTXZRNFMAR-UHFFFAOYSA-N 387.505 2.718 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccsc3)CC2)c1C 24097209 HIPWCDMIVRKHFZ-UHFFFAOYSA-N 375.494 2.828 0 40 GFAB COc1cc([C@H]2CC(=O)Nc3ccc4nsnc4c32)ccc1OCC(=O)O 96231330 AORQGTXOFNAEQQ-SNVBAGLBSA-N 385.401 2.637 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408557675 HGFKIYADTPSZHX-HNNXBMFYSA-N 398.484 2.832 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1nc2ccccc2o1 7874831 OTEKLDQSAOAJSQ-HNNXBMFYSA-N 388.493 2.633 0 40 GFAB O=C(c1ccoc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 16227802 CHYKTFMGXDBXER-UHFFFAOYSA-N 389.260 2.733 0 40 GFAB O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8165035 ODILNOIZSYRGIC-DHZHZOJOSA-N 388.464 2.513 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc21 8232618 XUZGDQMNSDKSAL-UHFFFAOYSA-N 390.443 2.869 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1F 20801549 ZTHHZNBQGXVEJT-RTBURBONSA-N 395.434 2.590 0 40 GFAB CN1C(=O)N(CC(=O)Nc2nc(-c3cccnc3)cs2)C(=O)C12CCCCC2 69694001 FEBRFHYYEIKSMN-UHFFFAOYSA-N 399.476 2.741 0 40 GFAB Cc1ccc(C)c(OCCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 17852366 FXESCBFPFDLTRY-OAHLLOKOSA-N 376.478 2.597 0 40 GFAB CC[C@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(C)nn(C)c1Cl 89942267 NCFFNAQOJCVOTF-JTQLQIEISA-N 379.910 2.513 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 408677890 SCDQWCBUBGBLFT-UHFFFAOYSA-N 380.441 2.840 0 40 GFAB O=Cc1cn(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc12 22859197 UDKRUFQBTQTKKX-NRFANRHFSA-N 377.488 2.633 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)COc1ccc3c(c1)NC(=O)CC3)CC2 524735220 HIEQOKHAHYQJTG-KRWDZBQOSA-N 396.443 2.771 0 40 GFAB CN(C)C1(CNC(=O)c2ccc(N3CCCC3=O)cc2)Cc2ccccc2C1 525546545 FKBFNRVWPKYYEK-UHFFFAOYSA-N 377.488 2.642 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)cc1 408627053 XRXCCEVTFONRPI-JTQLQIEISA-N 386.832 2.793 0 40 GFAB COC[C@@]1(C(=O)O)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218112156 VMLXYKQNDWKYQR-WSTZPKSXSA-N 390.457 2.661 0 40 GFAB Cc1ccc(C)c(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c1 9526717 GCMOABHJUFITLC-UHFFFAOYSA-N 390.487 2.653 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72358033 QROFDZLZPWLJHE-OAQYLSRUSA-N 383.467 2.807 0 40 GFAB C/C(=C\c1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760573 MCTRKBOULKMZNY-FOCLMDBBSA-N 389.455 2.957 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 225661244 CIVUZEFVBBKILA-QGZVFWFLSA-N 386.452 2.861 0 40 GFAB O=C(CNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96117201 TZFRXIUHQJMGQE-OAHLLOKOSA-N 383.839 2.535 0 40 GFAB O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCC(F)(F)C1 537371208 DUEFIEQUYWQWCI-GFCCVEGCSA-N 393.312 2.741 0 40 GFAB Cn1cccc1CN1CCOCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 96078178 IXSCMGFFZXDGOK-UHFFFAOYSA-N 385.483 2.919 0 40 GFAB O=C(Nc1nc(C2CC2)n[nH]1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 95476265 OQWJUEVJAFGDNL-UHFFFAOYSA-N 395.872 2.518 0 40 GFAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1cn(C[C@H]2CCOC2)nn1 528358204 DIWDYFSODNFBMP-CYBMUJFWSA-N 397.460 2.881 0 40 GFAB O=C(c1ccccc1F)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257232840 GMQPDHZJIVVAQY-MOPGFXCFSA-N 382.435 2.670 0 40 GFAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)nc1C 257296463 RCYBNCQOPUTQLB-DNVCBOLYSA-N 394.519 2.892 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257299591 RQRQVNXTRXZQRZ-FQEVSTJZSA-N 394.406 2.657 0 40 GFAB Cn1cc(-c2nnc(N3CC4(CCCO4)C3)n2C[C@@H]2CCOC2)c2ccccc21 625180756 OBHBRPLDFNGZLT-INIZCTEOSA-N 393.491 2.843 0 40 GFAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2[C@H]2CCN(CC(=O)O)C2=O)c1 662212400 WRWOOBVVJPHHBF-JAXLGGSGSA-N 394.471 2.911 0 40 GFAB Cc1nc(CC(=O)N(C)[C@H]2CCCN(C(=O)CC[C@H]3CCOC3)C2)c(C)s1 1615611764 QIVOOBGROFXEQT-IRXDYDNUSA-N 393.553 2.569 0 40 GFAB CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cc2ccccc2Br)CCO1 72309339 JLHCXEILPCDUKD-CQSZACIVSA-N 384.270 2.561 0 40 GFAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 47214674 BUIVEMBSBNORQV-RISCZKNCSA-N 378.416 2.836 0 40 GFAB COc1ccc(Oc2c(-n3cccc3)cc(C(=O)O)cc2S(N)(=O)=O)cc1 1250228392 XMITYVYFZBWPCM-UHFFFAOYSA-N 388.401 2.624 0 40 GFAB in-vitro CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 7070958 NDKIGOJAIWIVFP-WWNSAXIVSA-N 395.433 2.787 0 40 GFAB CCn1cc(S(=O)(=O)N(CCc2ccccn2)c2ccc(OC)cc2)cn1 12362495 GIWQVCRLNAPJRK-UHFFFAOYSA-N 386.477 2.745 0 40 GFAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 13678907 VSOWKFIFOJMXNK-UHFFFAOYSA-N 392.477 2.951 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cn(C)cn1 19017533 HIIXOLXGTBBMIP-TYPHKJRUSA-N 380.492 2.819 0 40 GFAB O=C(c1cnccn1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCC1 19406557 VURRHQAIMYTUGQ-LNLFQRSKSA-N 396.516 2.795 0 40 GFAB CC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cnc(N(C)C)nc1)C2 19453663 MPXKAOLDBSOFES-UHFFFAOYSA-N 381.528 2.615 0 40 GFAB CCCCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935443 YUVGGPLYJOHBKB-UHFFFAOYSA-N 388.917 2.810 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(c3ccc(F)cc3)=NC2=N1 940731 IKXLXVWPMMTPLU-MRXNPFEDSA-N 383.814 2.916 0 40 GFAB CCS(=O)(=O)c1ccc([C@H](C)NC(=O)C2(C(=O)O)CC3(CCC3)C2)cc1 630297328 FCQPDMKBHXDWIV-ZDUSSCGKSA-N 379.478 2.693 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cncn1C)Cc1ccccc1O2 643913499 VHZDYXMCRQZLBW-UHFFFAOYSA-N 382.508 2.974 0 40 GFAB Cc1cc(N2CCC(CNC(=O)C(=O)NCCC3=CCCCC3)CC2)ccn1 240104238 UMUQRFMAZHMPIZ-UHFFFAOYSA-N 384.524 2.729 0 40 GFAB Cc1cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc(N2CCCC2)n1 1888844154 QZMIYIXCTCQXTM-UHFFFAOYSA-N 393.417 2.521 0 40 GFAB Cc1c(C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12 14675744 HZWWZBXKSZAAPQ-UHFFFAOYSA-N 379.416 2.642 0 40 GFAB CCCc1cc(O)nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n12 4250197 FNJXVWOLGZRKPK-UHFFFAOYSA-N 385.449 2.716 0 40 GFAB CCOc1ccc(C(=O)NCCn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 9844066 DLYMUHXQZLIPCU-UHFFFAOYSA-N 393.443 2.748 0 40 GFAB Cc1nc2ccc(C(=O)NC3CCN(c4cc5c(nn4)CCCC5)CC3)cc2[nH]1 575615162 CFHFDKZPGCSIDQ-UHFFFAOYSA-N 390.491 2.939 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)cc1 618254698 DJZQCTQKHCUUET-MRXNPFEDSA-N 397.456 2.674 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@](C)(O)c1ccc2c(c1)OCO2 77184581 KUMPKVYXFBPLDP-KRWDZBQOSA-N 383.853 2.563 0 40 GFAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](C(=O)O)C(C)C)c(C)c2oc1=O 6417466 DXOPKKWFXXMZGM-XJKSGUPXSA-N 375.421 2.711 0 40 GFAB biogenic COc1cccc2c1N(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)CCC2 40146633 GMUYLMUMLSYVPY-CYBMUJFWSA-N 377.437 2.976 0 40 GFAB COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC(C)C)c3n2)cc1 40484886 IZEHBAGXUXZNNO-UHFFFAOYSA-N 390.443 2.849 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSCc2nc3ccccc3c(=O)[nH]2)cc1 20739303 RYAXAXISSHKANI-UHFFFAOYSA-N 382.445 2.753 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)N(C)C 32695550 IYHRMAVXKOVPGD-LJQANCHMSA-N 399.491 2.560 0 40 GFAB C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)c1ccc(F)c(F)c1 33028248 GLYYJRRTMDVTPJ-WDEREUQCSA-N 386.395 2.648 0 40 GFAB O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1C[C@@H]1CCCO1 706555 FYFPYAMNHATJAP-ZDUSSCGKSA-N 376.368 2.630 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 8936470 ZZXDMQUQIUVXOB-OAHLLOKOSA-N 392.546 2.841 0 40 GFAB COc1ccc(OCCN2CCN(CC(=O)Nc3cc(C)ccc3C)CC2)cc1 22821105 PVHHYSWNJHPPPZ-UHFFFAOYSA-N 397.519 2.947 0 40 GFAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2OC)n1 8917608 KLMPUAVUCPDFRW-UHFFFAOYSA-N 399.856 2.583 0 40 GFAB COc1ccc(OC)c(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 824253 GHODUPVIBFLGBN-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB Cc1ccccc1NC(=O)CN1C(=O)C(=O)N([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 104677217 YCURWKYJHUEOCX-UGUYLWEFSA-N 383.448 2.549 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N)C(=O)SCc1ccccc1 4899839 SBZYLEONJJSPLZ-AWEZNQCLSA-N 380.514 2.603 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 6269583 GVCAJQGJCQGALK-UHFFFAOYSA-N 375.494 2.559 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 7247598 UGJFAFTVMGGHCF-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(C)c1 7604554 JVMKKQQEIACPEE-UHFFFAOYSA-N 392.477 2.709 0 40 GFAB O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCCCC1 24610413 ODXRBMGBYUKRKY-UHFFFAOYSA-N 384.929 2.894 0 40 GFAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 102717140 YVXUPWAGZZIELH-UHFFFAOYSA-N 388.489 2.506 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 56951671 NNVQMNLWKBPRRU-ICSRJNTNSA-N 380.448 2.965 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 20452373 VDTRFCXHAGUSTI-PXAZEXFGSA-N 394.880 2.744 0 40 GFAB COc1c(C)cnc(CN(C)C(=O)NCc2ccc(-n3ccnc3)nc2)c1C 57610777 XTCIJTWNXWFSEW-UHFFFAOYSA-N 380.452 2.629 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 9303304 SWPILLKACOCUKW-DCXXXQMHSA-N 398.846 2.531 0 40 GFAB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 12629877 BALZSKOWVPRCCB-LJQANCHMSA-N 397.504 2.801 0 40 GFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1Br 57364044 PDSPTJWIUVIHGK-UHFFFAOYSA-N 390.281 2.915 0 40 GFAB COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1OCC(=O)NC1CC1 48232320 RNAJAQMKGFAQEF-INIZCTEOSA-N 387.263 2.875 0 40 GFAB CCOC(=O)c1cnn2c(C(=O)N3CCC[C@@H](c4nc(C)cs4)C3)ccnc12 89984907 BIBAZAPVQROSEW-CYBMUJFWSA-N 399.476 2.691 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1 45141344 ARXGDHPLNMJOPH-IBGZPJMESA-N 380.492 2.548 0 40 GFAB O=c1/c(=C\c2ccc(Sc3ncccn3)o2)sc2nc3ccccc3n12 109974486 OTVOBPLKOAXTBM-GXDHUFHOSA-N 378.438 2.991 0 40 GFAB CN(CC(=O)O)[C@@H](C(=O)O)c1c[nH]c2cc(NC(=O)c3ccccc3)ccc12 36356966 ALZIMHSDLVPSTG-GOSISDBHSA-N 381.388 2.562 0 40 GFAB Cc1nc(CN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)cs1 28959284 UFNYZDDQRFRHCX-UHFFFAOYSA-N 384.505 2.536 0 40 GFAB O=C(CNC(=O)c1ccccc1F)Nc1ccc(N2CCCC2=O)c(Cl)c1 29133949 NMVPPPHWRWZCFR-UHFFFAOYSA-N 389.814 2.974 0 40 GFAB Cc1ccc2c(C)nc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc2c1 19330440 TUDCIDUHTYYPOD-UHFFFAOYSA-N 390.447 2.764 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c(C)c1 28207607 CZERUJHEDWDAOO-UHFFFAOYSA-N 382.526 2.853 0 40 GFAB COc1ccc(C)cc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O 25224527 PPJLWGRYQRWFQB-SFHVURJKSA-N 377.444 2.949 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2OCc2noc(C)n2)n1 48308767 SCVCMANBYPBDRC-CYBMUJFWSA-N 383.452 2.836 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1S(=O)(=O)N(C)C 12810588 PDAIBLODKMZVJT-INIZCTEOSA-N 394.880 2.841 0 40 GFAB CCOc1ccc(Oc2ccc(NC(=O)CC[C@H]3NC(=O)NC3=O)cc2)cc1 12899407 TUBFYAXFXXDDMR-QGZVFWFLSA-N 383.404 2.804 0 40 GFAB CC(=O)c1ccc(-n2c(C)cn(C[C@@H](O)COc3cccc(C)c3)c2=O)cc1 60363770 FXGDBYXOLHPONF-HXUWFJFHSA-N 380.444 2.898 0 40 GFAB O=C(CNC(=O)NCCc1ccccc1)Nc1ccccc1Br 12808816 PMWLSLWDIWDRNF-UHFFFAOYSA-N 376.254 2.930 0 40 GFAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCCSCc1ccccc1F 12952686 RSLYHBBLHCFUIW-UHFFFAOYSA-N 389.427 2.724 0 40 GFAB COCCn1c(SCC(=O)NC2CCCCCC2)nc2ccccc2c1=O 6035209 UHNZGMGXUZNFRB-UHFFFAOYSA-N 389.521 2.974 0 40 GFAB O=C(O)COc1cccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 95424352 FAGXYMCQRDPPAO-QGZVFWFLSA-N 383.400 2.899 0 40 GFAB COC(=O)c1ccc(C)c(N[C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)c1 6831270 CPNRJVXJHVEZLU-GOSISDBHSA-N 380.400 2.728 0 40 GFAB C[C@H]1c2ccsc2CCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 7830498 RJUKUYHCIDDBPW-ZDUSSCGKSA-N 375.494 2.839 0 40 GFAB CN(C)C(=O)CN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 68603059 MXELVLGJEOSYCY-UHFFFAOYSA-N 389.496 2.837 0 40 GFAB C[C@H](OC(=O)c1ccccc1SCC(N)=O)C(=O)Nc1ccc2c(c1)CCC2 16334316 AXLDFNRWOIVCMQ-ZDUSSCGKSA-N 398.484 2.937 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccccc1 8186981 CIKRTLFWXAVBLK-RHSMWYFYSA-N 378.428 2.953 0 40 GFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1 95549185 ORXSXEPRTIZJGK-GASCZTMLSA-N 397.456 2.708 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1O 170898320 JOQHNODGKUCSQB-IBGZPJMESA-N 383.492 2.765 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC(C)C)c1ccccc1 409388478 JSLBVSMHRWQGTD-UHFFFAOYSA-N 390.505 2.971 0 40 GFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(I)cc1 409388879 XANCEEMZYIGFQG-CDGCEXEKSA-N 379.197 2.598 0 40 GFAB O=C(Nc1ccccn1)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)o1 35597589 PVZQAMSZJQRJAZ-UHFFFAOYSA-N 387.417 2.873 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 216286933 AWZQHGDWHUCHCJ-CYBMUJFWSA-N 396.896 2.992 0 40 GFAB Cc1n[nH]c(C)c1CNC(=O)c1nnn(-c2ccccc2F)c1-c1ccccn1 77199890 UNFIRKIDEKECRB-UHFFFAOYSA-N 391.410 2.738 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)c(C)c1 222789919 KEYFGGKJGSGVCO-UHFFFAOYSA-N 390.505 2.687 0 40 GFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 222789974 OLCVRHUVXPCRAS-GOSISDBHSA-N 376.478 2.583 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cc(C)ccc2OC)NS(C)(=O)=O)cc1 225956345 RIBAINZKYBMXRO-INIZCTEOSA-N 392.477 2.631 0 40 GFAB Cc1cc(N2CCC[C@H](NC(=O)c3cn(-c4cccc(F)c4)nc3C)C2)n(C)n1 575015999 IPHCWYHNFIJRLB-KRWDZBQOSA-N 396.470 2.761 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225042179 LCOFFCQUWMOFAA-UHFFFAOYSA-N 391.474 2.614 0 40 GFAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224204773 GRKRCUKFFNLIIK-UHFFFAOYSA-N 390.505 2.895 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)c(C)c1 222791654 ZNYGZAXPYUXSLP-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc3ccccc3n(C)c1=O)C2 91997556 WOFLVUJZASTGJD-CQSZACIVSA-N 378.428 2.528 0 40 GFAB CCOC1CC2(CCN(C(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)C2)C1 585082128 LYURAGZIRDLROX-UHFFFAOYSA-N 394.537 2.585 0 40 GFAB O=C(Cc1cccnc1)N1CCC2(CC1)CCN(C(=O)Cc1ccc(F)cc1)C2 96046685 FXHMINZMPVEHSD-UHFFFAOYSA-N 395.478 2.847 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2ccccn2)Oc2ccccc21 247508069 RZRXQZIPABIJGK-ORENWSFKSA-N 377.444 2.653 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c(C)c1 245225724 IDBUACAGYSULOL-ORDFZIBCSA-N 377.437 2.638 0 40 GFAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2Cc1ccccc1OCC(=O)O 257322007 WEGVWIXKCRGRSI-ZJDLJICXSA-N 386.492 2.904 0 40 GFAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(S(=O)(=O)C(C)C)C2)ccc1CO 257221634 DPXPVHUNINGYEB-OAHLLOKOSA-N 393.509 2.763 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1F 253473323 UESLLBNOATUNNM-MRXNPFEDSA-N 381.411 2.657 0 40 GFAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2cccnc2-c2cnn(C)c2)cn1 623087689 CKFXYUXYFLOLHA-APWZRJJASA-N 394.435 2.537 0 40 GFAB COCCn1cc(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)c(=O)cc1C 672999596 YXAUSIFRWRYNRX-INIZCTEOSA-N 380.448 2.861 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)/C=C/c2ccccc2)C1 96381077 PDFYXBUOFIEKBM-ZHACJKMWSA-N 397.905 2.799 0 40 GFAB O=C(NCc1cccnc1)c1ccc2n1CCN(C(=O)c1ccsc1)CC2 585110955 HFVAMFORIUQTME-UHFFFAOYSA-N 380.473 2.573 0 40 GFAB COc1cc(NC(=O)Cc2cscn2)c(C(=O)N2CCCCC2)cc1OC 585100346 RMYYZDHLSJECDD-UHFFFAOYSA-N 389.477 2.968 0 40 GFAB O=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1cccc(F)c1 585262209 YMZMMAPAKMHSDS-SIKLNZKXSA-N 381.451 2.903 0 40 GFAB Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)ccc1-n1cnnn1 46326359 WMKQTUULWDKWIG-UHFFFAOYSA-N 398.854 2.713 0 40 GFAB CCN(CC)CCN(C)c1ccc(CO)c2c1C(=O)c1ccccc1S2=O 5010743 DKFBADJXESVXLK-UHFFFAOYSA-N 386.517 2.668 0 40 GFAB CC(C)OC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc2c1CCCC2 5860390 ZJARICCUYSNKSI-UHFFFAOYSA-N 395.510 2.623 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)c1 11851698 NMPFJWNIAMWBKN-WXQHOCMDSA-N 377.437 2.638 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 13606662 BRQBLJWVQZPVDS-OAHLLOKOSA-N 396.422 2.992 0 40 GFAB CC(C)(C)c1cc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)[nH]n1 19083637 YMFWQUGHTVRETE-NRFANRHFSA-N 382.464 2.504 0 40 GFAB Cc1cccc(O[C@H](C)c2nnc(NC(=O)c3ccc(=O)n(C)n3)s2)c1C 19235701 DZBOQJQLDDVICK-GFCCVEGCSA-N 385.449 2.641 0 40 GFAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1 19593528 SYHXLFMSMQNHJQ-CQSZACIVSA-N 379.407 2.709 0 40 GFAB NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)Cc1c[nH]c2ccccc12 19697288 FEZLUGLFHVHZCP-UHFFFAOYSA-N 399.454 2.625 0 40 GFAB O=C(Cn1ncc(-c2ccccc2)nc1=O)Nc1ccccc1Br 33324521 ZSAQICORJNFUMD-UHFFFAOYSA-N 385.221 2.707 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 2726266 DTIZMAODCLGTMG-UHFFFAOYSA-N 398.415 2.626 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 24662781 WIUQHHFZTLVODT-SJORKVTESA-N 380.444 2.876 0 40 GFAB O=C(CCn1cnc2ccccc21)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037912942 FKPDCTAHUHBQEL-JOCHJYFZSA-N 397.450 2.998 0 40 GFAB Cn1cncc1CN1CCC2(CC[C@@H](CNC(=O)OC3CCCC3)OC2)CC1 2056225557 QUGVYMCAMQBVFM-IBGZPJMESA-N 390.528 2.850 0 40 GFAB COC1(CC(=O)N2CCC[C@@]3(COCCN(c4nccs4)C3)C2)CCC1 1614936096 WXNFEAOTLUHAKX-GOSISDBHSA-N 379.526 2.548 0 40 GFAB COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1OC 2724842 RVLWWWRHIRPAQD-MHZLTWQESA-N 391.493 2.599 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 4479619 CBRXSFPKHGFDTB-ZDUSSCGKSA-N 385.420 2.639 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n2ccc(C)cc2n1 4503958 GXXWHRYSQFWOOD-UHFFFAOYSA-N 390.852 2.791 0 40 GFAB COc1ccccc1NCCN[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 5257763 QXGJTINKRBNVBY-MRXNPFEDSA-N 391.855 2.832 0 40 GFAB CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccccc3)nn2)cc1 9852977 MMSRHGWUGFDOQN-UHFFFAOYSA-N 399.472 2.900 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)cc1 49401638 FNDAIYODYCQCOZ-UHFFFAOYSA-N 393.428 2.562 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(C[C@@H](C)O)n2-c2ccccc2)cc1 20436772 OCLGBEGBGUDDNF-CQSZACIVSA-N 398.488 2.930 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1)C(=O)OC 20721888 JEHJXCVOKBAXCT-PUECVXPYSA-N 388.443 2.794 0 40 GFAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 100765787 VFAYVFVUCGRBEL-OTWHNJEPSA-N 397.862 2.884 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc(Br)c1 103062714 AYHKFDUIRQJMMA-DFBGVHRSSA-N 393.281 2.802 0 40 GFAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(C)C)cc3)c2=O)c1 2973307 KLJRRIYJKOERQD-UHFFFAOYSA-N 379.416 2.910 0 40 GFAB COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1 3224549 QYWLLPNQWRGTQK-UHFFFAOYSA-N 397.214 2.648 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1ccccc1F 3288590 HHPGSCQQZKLREC-KRWDZBQOSA-N 397.493 2.969 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(NC(C)C)s2)cc1 3383244 JCWIMMKJEVTYAF-UHFFFAOYSA-N 393.538 2.856 0 40 GFAB COc1ccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)cc1Cl 3563723 SYINULKHYAAPTM-UHFFFAOYSA-N 375.837 2.625 0 40 GFAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c(OC)c1 4008730 QTAKNQKIBWWPPE-INIZCTEOSA-N 378.425 2.771 0 40 GFAB CCCCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 4250993 KZJORQSDKIXYAA-UHFFFAOYSA-N 393.491 2.923 0 40 GFAB CCN1CCN(c2ccccc2NC(=O)/C(=C\C(=O)O)c2ccccc2)CC1 4661717 KBTKPMYITLKXGJ-VLGSPTGOSA-N 379.460 2.935 0 40 GFAB CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc(C)cc1 4718126 FJTKOWISJHZBTD-HNNXBMFYSA-N 399.476 2.521 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1 5075806 ZHDLHKZNJNFMKB-UHFFFAOYSA-N 394.518 2.953 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1CSc1nc(C)cs1 5426664 QRQBSHKEXPQWJT-LLVKDONJSA-N 393.490 2.745 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CSCCS2)ccc1C 5938901 SSMBYSWHYZQKLG-AWEZNQCLSA-N 388.580 2.813 0 40 GFAB O=C(/C=C/c1ccccc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164474 ZNWZXJZNUYKSTP-ZHACJKMWSA-N 388.464 2.513 0 40 GFAB CC1(C)Cc2c(sc3ncn4nc(C(=O)NCc5ccncc5)nc4c23)CO1 8643688 VXDYHIXIOQQHDH-UHFFFAOYSA-N 394.460 2.515 0 40 GFAB CCOc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 8668000 ICQFBRDNOVZINV-AWEZNQCLSA-N 395.411 2.886 0 40 GFAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(CN2CCCC2=O)c1 8777454 FGVHIBPGYMZTNH-UHFFFAOYSA-N 377.444 2.954 0 40 GFAB O=C(c1cc2ccccc2oc1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9389209 BZUMXOPXBZTQKA-UHFFFAOYSA-N 389.411 2.913 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 9418956 XYAFIIGLBJLWIA-UHFFFAOYSA-N 387.443 2.679 0 40 GFAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 9420839 FMNNKQOVDWLILO-FQEVSTJZSA-N 384.501 2.733 0 40 GFAB O=C(NCCc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1 12194366 XWQGHYKOUSZOQK-UHFFFAOYSA-N 376.453 2.728 0 40 GFAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1C 12422562 XLFDGTRBGACHKC-UHFFFAOYSA-N 386.481 2.572 0 40 GFAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1 12789289 OJQFWMMYNKWIMS-CYBMUJFWSA-N 382.507 2.867 0 40 GFAB O=C(Nc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1F)C1CC1 12858330 VCYMIFJIXWZHJB-ZDUSSCGKSA-N 385.395 2.754 0 40 GFAB COc1ccc(NC(=O)NCC(=O)Nc2cc3c(cc2Cl)OCO3)cc1 12930340 AGENFXRZUVUPSK-UHFFFAOYSA-N 377.784 2.838 0 40 GFAB O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14817631 WHLGQOKFHCKUEY-UHFFFAOYSA-N 394.880 2.542 0 40 GFAB CC(C)(c1csc(N2CCOCC2)n1)c1csc(N2CCOCC2)n1 16323425 MEGNMPLOSGTKLM-UHFFFAOYSA-N 380.539 2.599 0 40 GFAB CCCNC(=O)CN(C)CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 16380298 JDBOASUDEYISCH-IBGZPJMESA-N 381.476 2.611 0 40 GFAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(C(=O)c4ccncc4)C[C@H]23)cc1 19019393 HJPZRPRRSDTQLO-NJDAHSKKSA-N 379.460 2.567 0 40 GFAB COc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O 19129181 IBHKOUIWDFMFLH-OAHLLOKOSA-N 397.479 2.722 0 40 GFAB COc1cccc(CCc2nnc(NC(=O)c3cnn4cc(C)cnc34)s2)c1 19239352 CYAJATOZLNRBGE-UHFFFAOYSA-N 394.460 2.935 0 40 GFAB CCOc1ncccc1C(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1 19531517 FWCGOUJBIDMCIQ-SFHVURJKSA-N 381.480 2.626 0 40 GFAB Cc1nc2ccccn2c1CN1CCC[C@H](c2cc(C(=O)NC3CC3)on2)C1 19554955 CAYRAHFVVXNJLR-HNNXBMFYSA-N 379.464 2.903 0 40 GFAB CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1F 19715298 BAWUEYVUMFRUAH-QFIPXVFZSA-N 397.450 2.687 0 40 GFAB COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(Br)c1O 20086726 JYGCEPQVPMXPDO-GFCCVEGCSA-N 392.209 2.563 0 40 GFAB Cc1cc(C)c2cc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)[nH]c2c1 21634912 YCAUVHPVYNOADV-UHFFFAOYSA-N 385.489 2.965 0 40 GFAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C 22529473 ZNWKLQFUYDUBNM-LLVKDONJSA-N 385.302 2.967 0 40 GFAB O=c1oc2cc(Cl)ccc2n1CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22912113 PTJIDDPPPYSADS-UHFFFAOYSA-N 399.878 2.958 0 40 GFAB O=C(c1ccccc1Cl)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 23153129 PRUZVOAFXUXMBH-UHFFFAOYSA-N 382.851 2.535 0 40 GFAB O=C(CN1CCCCCC1=O)N1CCN(Cc2cccc3ccccc23)CC1 23957373 TUHRFXKMLBGYOI-UHFFFAOYSA-N 379.504 2.887 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)On2nnc3ccc(Cl)cc32)c1 24035769 DSDLPZMUHHKRRX-JTQLQIEISA-N 376.800 2.558 0 40 GFAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613194 JVYPVMVJCZVURE-UHFFFAOYSA-N 390.908 2.889 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 24654312 HFRZSRGXBJXGET-HNNXBMFYSA-N 393.443 2.544 0 40 GFAB COc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 25240751 SCMHWNQKNMUODT-INIZCTEOSA-N 394.518 2.535 0 40 GFAB O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 25949425 VROBHKRUZYROIT-HXUWFJFHSA-N 385.439 2.646 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2csc(Br)c2)C1=O 30579040 BOWDWQCKBSDCFG-OAHLLOKOSA-N 394.250 2.623 0 40 GFAB COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccncc2)C=C1C 30880515 QYJWSOTZMYGFBI-UFYCRDLUSA-N 387.524 2.819 0 40 GFAB biogenic,in-vitro Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1N1CCOCC1 30975083 VWZRSIJYAXRWAG-UHFFFAOYSA-N 392.872 2.647 0 40 GFAB Nc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2[nH]cnc2n1 31811620 PCPQYJRTVXRSIT-UHFFFAOYSA-N 385.475 2.847 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1F 32745034 UTBCTZQVZVSVLX-ZDUSSCGKSA-N 384.407 2.974 0 40 GFAB CCOc1ccc([C@@H](NC(=O)CCN2C(=O)CCC2=O)C(C)C)cc1OCC 32755660 IPMJUAXIOHVERM-NRFANRHFSA-N 390.480 2.836 0 40 GFAB C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@H]1CCCO1 32778228 MULUXFAMTLMVLQ-HNAYVOBHSA-N 377.444 2.742 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1=NN(c2ccccc2)C(=O)CC1 32978448 KVULKXZDJDUARE-UHFFFAOYSA-N 379.416 2.599 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 33690450 FLZRYXQRRSQRMR-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB COc1cc(C(=O)NCc2nc(-c3cccs3)no2)cc(OC)c1OC 36133243 HCSZCZFBMYBHQJ-UHFFFAOYSA-N 375.406 2.754 0 40 GFAB COc1cccc(NC(=O)c2cnn(C)c2C(=O)Nc2cccc(OC)c2)c1 36617899 XMODMRIOYLSFAC-UHFFFAOYSA-N 380.404 2.942 0 40 GFAB COc1ccccc1N1CN(Cc2ccccn2)Cn2c1nc(C)c(C)c2=O 38830074 NCJUWJQINRYHHK-UHFFFAOYSA-N 377.448 2.833 0 40 GFAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 39655316 ROXMXKWHEFBZCD-GOSISDBHSA-N 398.390 2.628 0 40 GFAB O=C(c1cccnc1N1CCCCC1)N1CCN(CCOc2ccccc2)CC1 40130634 BGLKNWQHKCVXFJ-UHFFFAOYSA-N 394.519 2.909 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 47174986 PNELEKIQCMAARY-SFHVURJKSA-N 390.443 2.584 0 40 GFAB O=C(CCCn1cncn1)Nc1nnc(SCc2ccc(F)cc2)s1 54421254 GVPFKLMNLYKXCK-UHFFFAOYSA-N 378.458 2.980 0 40 GFAB O=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2 55638929 WGBDSLKTUBAPHB-UHFFFAOYSA-N 390.480 2.704 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1C 56057722 KDVKMHWHGRZOFL-UHFFFAOYSA-N 388.489 2.917 0 40 GFAB C[C@@H](C(=O)NCc1cc(Br)ccc1OC(F)F)n1cncn1 58223235 UJRHXPUILMXOQU-QMMMGPOBSA-N 375.173 2.519 0 40 GFAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 58250428 QPAMTOXNFYSDPS-RYUDHWBXSA-N 376.316 2.708 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3cccc4cccnc34)o2)C1 58472246 OCWUOAACUPQNPX-LBPRGKRZSA-N 375.475 2.887 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccn1 61719747 HRYLJQRXAXVNFF-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cc(Cl)ccc1Cl 65568441 RGQZTLRHVSIPKE-GFCCVEGCSA-N 397.349 2.924 0 40 GFAB C[C@]12CC[C@@H]3c4ccc(OC(=O)CCC(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 65740764 RRGGODVYWMYRLA-TZVXGSHHSA-N 388.460 2.645 0 40 GFAB in-vitro COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(CO)n1)C(=O)O 65742931 PDUAYPFMBRYSNN-LJQANCHMSA-N 394.427 2.700 0 40 GFAB in-vitro Cc1cc(S(=O)(=O)N2CCC(C3OCCO3)CC2)ccc1Br 69266450 YRSXGTVUYMRODW-UHFFFAOYSA-N 390.299 2.531 0 40 GFAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCNC(=O)C2)C12CCCCC2 71288448 BUUXWHGIUXYUQY-FQEVSTJZSA-N 397.519 2.687 0 40 GFAB CC[C@H](NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1cnn(CC)c1 72314305 WKJURVAATBUCIC-SFHVURJKSA-N 385.468 2.648 0 40 GFAB COc1cc2c(cc1CN1CCc3nnc([C@@H]4CCCCN4)n3CC1)CCC2 72372826 CPDXJQCAHUAOFK-IBGZPJMESA-N 381.524 2.648 0 40 GFAB CCn1nc(C)c(NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1C 72391788 KZAAIOZZSINQLQ-UHFFFAOYSA-N 389.931 2.930 0 40 GFAB CN1C(=O)S[C@@H](CC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)C1=O 72396260 RDFUQPGUAKTZPG-WBVHZDCISA-N 398.488 2.509 0 40 GFAB COc1ccccc1[C@H]1CC(c2cccc3nccnc23)=NN1S(C)(=O)=O 79112356 QQCGCQSOPOWFAG-QGZVFWFLSA-N 382.445 2.749 0 40 GFAB O=c1ccc(-c2ccco2)nn1CN1CCN(Cc2cccc(Cl)c2)CC1 79479262 OSYDIVBLZDMUEB-UHFFFAOYSA-N 384.867 2.932 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NC1CCCC1 80338085 AQMBWKAMLVUCEO-CQSZACIVSA-N 378.904 2.619 0 40 GFAB CCSc1nnc(NC(=O)CN2CCC(c3nnc(C(C)C)o3)CC2)s1 90591197 GEUMDVKNFNZGAF-UHFFFAOYSA-N 396.542 2.975 0 40 GFAB COCCn1nc(CNC(=O)c2ccc3nsnc3c2)cc1-c1ccco1 90607027 ICAIHPSSUJPRIY-UHFFFAOYSA-N 383.433 2.724 0 40 GFAB C[C@H](NC1(CNC(=O)NCCc2nccs2)CCOCC1)c1ccccc1 95959343 IKAPPQBLMAXJJE-INIZCTEOSA-N 388.537 2.885 0 40 GFAB COCCn1cc2c(n1)[C@@H](NC(=O)C1(c3ccccc3)CCOCC1)CCC2 96002917 QPOBGYZMUZNMPN-IBGZPJMESA-N 383.492 2.772 0 40 GFAB CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CCN(c1ncc(F)cn1)CC2 96086808 CQLMCIBGWQPJCH-UHFFFAOYSA-N 398.486 2.576 0 40 GFAB COC(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 96121550 ZRZPWFUEQFGGFE-UHFFFAOYSA-N 395.381 2.997 0 40 GFAB COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(CC(C)C)CC3)O2)c1 96262966 IAWVFPSNXITHAN-LJQANCHMSA-N 398.507 2.876 0 40 GFAB CCCNC(=O)CN1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 96983482 AVRWIPYWVQVUFD-AWEZNQCLSA-N 379.455 2.636 0 40 GFAB CCCc1cc(=O)n2ncc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2[nH]1 101275736 XLDDQZUCKSDZLQ-UHFFFAOYSA-N 378.354 2.924 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 113968247 FCRRKZXPWNTZNP-KRWDZBQOSA-N 378.469 2.995 0 40 GFAB CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207016702 IQZGMLUMYDMDHD-CYBMUJFWSA-N 377.466 2.921 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1ccccc1C 216420749 MLSFZYUQCGLIIF-UHFFFAOYSA-N 392.477 2.708 0 40 GFAB COC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218124937 PKVFIFUSPJJAJM-BZSNNMDCSA-N 381.881 2.632 0 40 GFAB COc1ccc(CN(C)C(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219706154 ROXLSQUTQRNCCE-UHFFFAOYSA-N 390.505 2.755 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 222542721 GUMUNDHGTYKRCC-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 224019967 NJHHRZREGODXHE-UHFFFAOYSA-N 388.489 2.788 0 40 GFAB Cc1nc(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc(C(F)(F)F)n1 225734632 CRLYMNHFTQLZJD-UHFFFAOYSA-N 390.369 2.643 0 40 GFAB COC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242498518 HJXBZSUEMQPWKH-LMMKCTJWSA-N 393.505 2.993 0 40 GFAB Cc1cc(Cc2ccccc2)cc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 257309619 UBQPDXCANIPGTA-NRFANRHFSA-N 376.460 2.928 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 257344163 ZWAAFFKYQSBLLI-LJQANCHMSA-N 391.468 2.767 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCS/C2=C/c2cccs2)C1 260658821 RHNGVGIXGCKLLA-JMRXEAOASA-N 386.564 2.684 0 40 GFAB COc1ccc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1O 408848662 XPLTZYHCCYOZHS-NTUHNPAUSA-N 385.372 2.771 0 40 GFAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NC[C@H]1CCS(=O)(=O)C1 524732483 HYDFHLFDJFHIQH-RHSMWYFYSA-N 380.897 2.672 0 40 GFAB COCC(=O)N1CCC(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)CC1 528063227 FUGRTAUSXXASOV-UHFFFAOYSA-N 380.435 2.530 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H]3c3ccc(O)nn3)c12 530277016 PRGSZGGSZYMICG-INIZCTEOSA-N 378.436 2.627 0 40 GFAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)c2cn(C)c4ccccc24)C3)n1 575404393 NIHHJSKTYDSQCX-INIZCTEOSA-N 392.459 2.729 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1C 575423660 PPZAMDVPZMQQID-INIZCTEOSA-N 397.518 2.583 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)cn1 585082781 GLLJDQPCRQDQOI-HNNXBMFYSA-N 379.457 2.519 0 40 GFAB Cc1ccc(C2(C(=O)N3CCC[C@]4(CCN4CC(=O)N4CCCC4)C3)CC2)cc1 585102058 OYKKWGIWJKHDOE-QHCPKHFHSA-N 395.547 2.716 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@@H]1c1nccnc1Nc1nccs1 585292544 KJYLXHXGTWFJNP-LLYBFZRZSA-N 378.461 3.449 0 40 GFAB COc1cccc(CC2CCN(C(=O)c3cnn4c3[C@H](CN)CCC4)CC2)c1 602585989 MIWYNBQAQAZSGI-SFHVURJKSA-N 382.508 2.823 0 40 GFAB CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(c2ccnc3ccccc23)CC1 614659559 BWKOWVPUKNREJC-HXUWFJFHSA-N 380.492 2.578 0 40 GFAB O=C(Nc1cccnc1-c1ccccc1)N1CCC[C@@H](n2cc(CO)nn2)C1 652763813 ZILMSWFSDAEMLD-QGZVFWFLSA-N 378.436 2.701 0 40 GFAB O=C(NCC1(c2ccsc2)CCOCC1)C(=O)Nc1ccc(F)cc1F 952989425 DSIWBEPFCIUKCF-UHFFFAOYSA-N 380.416 2.829 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1ccc(C(F)(F)F)cc1 1565523066 FCMXVXAIGXRIAG-HNNXBMFYSA-N 375.368 2.801 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615123641 UILHZGKNOQGPIO-OAQYLSRUSA-N 399.422 2.729 0 40 GFAB Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCC(c3nc(N)n[nH]3)CC1)O2 1636901243 UKISDUAQHBGWLJ-OAQYLSRUSA-N 399.495 2.508 0 40 GFAB COc1cccc2sc(N3C[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4C3)nc12 1888970077 IHVMBWLYQIQZOS-ZIAGYGMSSA-N 379.441 2.931 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242505 BLETWOAWICYQBN-YHELAOLJSA-N 390.491 2.907 0 40 GFAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 627585 GCWSGQPKIODBTC-WLYUNCDWSA-N 387.432 2.876 0 40 GFAB biogenic COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 937624 VMNSDRJWHLZPRI-WUXMJOGZSA-N 390.461 2.606 0 40 GFAB Cc1c(CC(=O)NCCCCCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2118257 HLAOJUXNPHZMLA-UHFFFAOYSA-N 381.812 2.764 0 40 GFAB biogenic C[C@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 2323914 VYYDPPUSQDDSGP-WDEREUQCSA-N 387.509 2.601 0 40 GFAB COc1ccc(C[C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 4029046 OSJFQOGIKDNPQW-AEFFLSMTSA-N 385.460 2.955 0 40 GFAB biogenic O=C(N[C@@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O)c1ccc(F)cc1 5209830 SWVCBANSVLAMOZ-MRXNPFEDSA-N 378.285 2.930 0 40 GFAB O=C(CSc1nnc(Cc2ccccc2)o1)NC[C@H]1COc2ccccc2O1 5216619 AKPLKALMZKHLEQ-HNNXBMFYSA-N 397.456 2.709 0 40 GFAB CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCC(=O)O 5244621 ALKHTENWSVKLCY-AWEZNQCLSA-N 393.871 2.567 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(O)cc1C(=O)O 5351595 HKRJWTJCMKZWAU-OVCLIPMQSA-N 398.396 2.765 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(C)nc3ccc(C)cc23)NC(=O)N[C@@H]1C 6508606 XNPOEOJKZVHEFU-CYBMUJFWSA-N 397.431 2.527 0 40 GFAB CC[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)N1CCn2c1nc1ccccc12 6671637 JTYAUJORQGPNEC-HIFRSBDPSA-N 389.525 2.602 0 40 GFAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1 7218300 GSVNAINJVRNSRY-SFHVURJKSA-N 386.473 2.725 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCCc4cc(OC)ccc43)C2=O)cc1 7777916 MVJFYKJKTFJUBM-JOCHJYFZSA-N 394.427 2.765 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccnn2C2CCCC2)cc1 8076423 HTIRHXRUTJTOIC-UHFFFAOYSA-N 399.480 2.713 0 40 GFAB COc1ccc(-c2noc(COC(=O)CNC(=O)c3ccc(C)c(C)c3)n2)cc1 8539732 SQDRFWIAXZUTTL-UHFFFAOYSA-N 395.415 2.835 0 40 GFAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cccc3ccccc23)C1=O 8718907 KVYCLZSVZHLXKQ-QFIPXVFZSA-N 398.426 2.783 0 40 GFAB O=C(/C=C/c1ccco1)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 8755601 GGKHEWMMJZMSTO-SOFGYWHQSA-N 380.491 2.845 0 40 GFAB CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1cccnc1 9418372 ZYUBNKFSMIVKPS-UHFFFAOYSA-N 381.542 2.662 0 40 GFAB COc1cc(CNCC2CCNCC2)ccc1Oc1nnnn1-c1ccccc1 9699674 VVVLDJKBSZHXSJ-UHFFFAOYSA-N 394.479 2.552 0 40 GFAB COc1ccc(N(CCCC(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 10367785 LPIMEFDNKDEUDQ-UHFFFAOYSA-N 376.906 2.667 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(Cc2ccccc2)C(C)C)c1C 10931070 YTHAZDUZKGWGRO-UHFFFAOYSA-N 389.521 2.800 0 40 GFAB O=C1NC[C@]2(CCCN(C(=O)CCc3ccccc3F)C2)Oc2ccccc21 12086764 BVTHMDJUOYCMPF-QFIPXVFZSA-N 382.435 2.942 0 40 GFAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)c3cccc(F)c3)C1)CNC2=O 12086769 MLNBEEUCYGZOIN-OAQYLSRUSA-N 384.407 2.632 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)C1 12365740 OJQQEOSMJARWOM-GVDBMIGSSA-N 379.526 2.764 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccn1)c1cccs1 12550763 OBKXNFANWNVVAV-SFHVURJKSA-N 379.485 2.843 0 40 GFAB COC(=O)[C@@H]1CCCCN1C(=O)c1cc(OC)c(Br)c(OC)c1 12814148 OYDNCLQTMWXZOR-NSHDSACASA-N 386.242 2.634 0 40 GFAB CCc1cccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccccc3CC)CC2=O)c1 12822712 PYDGGTBYVMOQHV-SFHVURJKSA-N 393.487 2.919 0 40 GFAB COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CCCCC1 12939932 SUFLHOXZLIPJNY-ZDUSSCGKSA-N 378.856 2.685 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1cccc(F)c1 12944221 SSNXZSKZAYYUPV-KSSFIOAISA-N 376.453 2.856 0 40 GFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1cccs1 13734086 OWVBLNLXSOGBED-UHFFFAOYSA-N 397.500 2.922 0 40 GFAB CCOC(=O)[C@@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 13998599 NYQSTBGEHWLGGC-LJQANCHMSA-N 382.460 2.948 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 15953807 IBCZDZZYWPWXAW-ADLMAVQZSA-N 389.448 2.967 0 40 GFAB biogenic CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 16733557 LGFDIZNZNZKABK-OAHLLOKOSA-N 380.466 2.701 0 40 GFAB CCCCOc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC 17114465 CNNJKQXNRRNLGG-UHFFFAOYSA-N 389.452 2.774 0 40 GFAB C[C@@H](C(=O)Nc1cccc(-c2nncn2C)c1)N1C(=O)[C@@H](C)Oc2ccccc21 19462064 XZZCOOAIFUGENU-UONOGXRCSA-N 391.431 2.623 0 40 GFAB Cn1cc(C(=O)Nc2ccc(N3CCCC3)c3nonc23)c2ccccc2c1=O 19663634 UKMZMKRXLKVWQG-UHFFFAOYSA-N 389.415 2.927 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 20018902 ZLDUGGWIBISOFP-UHFFFAOYSA-N 384.404 2.669 0 40 GFAB COc1ccccc1CNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 20237405 WSEVTEVICGGRFF-UHFFFAOYSA-N 396.896 2.739 0 40 GFAB C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O 20466689 HZSDEDOYFCTAET-ORZDUAMFSA-N 390.568 2.963 0 40 GFAB biogenic,in-vitro COc1ccc(CCNC(=O)CSCc2nc3ccccc3c(=O)[nH]2)cc1 20716925 FQOPQIDWYQYIMS-UHFFFAOYSA-N 383.473 2.524 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2ccc(-n3cccn3)cc2)cc1 22020832 GWOYWTIEYXNYFT-MRXNPFEDSA-N 393.443 2.785 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CC[C@H]2CCCC[C@@H]2C1 22774665 FJCLUYCXDVVERW-WOJBJXKFSA-N 399.535 2.572 0 40 GFAB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 23105905 VQBGSOBVHNSALI-IBGZPJMESA-N 384.476 2.572 0 40 GFAB CS(=O)(=O)N1CCC(Nc2nc(-c3ccncc3)nc3ccccc23)CC1 25251998 OEYIXZTYSRJQCK-UHFFFAOYSA-N 383.477 2.528 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-n2cncn2)cc1 25276279 DODAHEZRHRTJFS-UHFFFAOYSA-N 378.392 2.963 0 40 GFAB Cc1ccccc1CN1CCCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 31766039 NVPXNIMPNZWQFO-UHFFFAOYSA-N 375.513 2.944 0 40 GFAB NC(=O)[C@H]1CN(C(=O)CSCc2ccc(Cl)s2)c2ccccc2O1 32674792 BULBJLJLGFHNGW-CYBMUJFWSA-N 382.894 2.914 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Oc2ccc(OCc3ccccc3)cc2)CC1 32885580 LMKWKBMFGRYFDM-UHFFFAOYSA-N 389.473 2.843 0 40 GFAB C[C@@H](OC(=O)c1ccc(Cn2cccn2)o1)C(=O)Nc1ccc(F)cc1F 32913712 SKMJBZQFDGLRBQ-LLVKDONJSA-N 375.331 2.987 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1Cl 32928389 KBOWUJQWGJWJRM-GFCCVEGCSA-N 382.869 2.560 0 40 GFAB COC[C@@H](C)n1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O 32945282 VJLNWNFXZWLFFG-LLVKDONJSA-N 390.490 2.791 0 40 GFAB O=C(O)CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 33892926 RCQGXBJJYCUPHF-OVCLIPMQSA-N 393.226 2.965 0 40 GFAB Cc1cc2c(cc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2C)o1 35315829 ZYBRSAYQTLHAJR-GFCCVEGCSA-N 384.388 2.670 0 40 GFAB C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1)c1ccccc1 35378012 MGRDRDCNWXUTTI-JTSKRJEESA-N 391.515 2.817 0 40 GFAB CNC(=O)NC(=O)CSc1nnc2c3c(-c4ccccc4)csc3ncn12 36646126 VFKKLOZSXRBRGJ-UHFFFAOYSA-N 398.473 2.554 0 40 GFAB CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)NC1=S 39556328 IEOLVHUDGNMPGR-BOPFTXTBSA-N 396.516 2.778 0 40 GFAB COc1cccc(CN(C)C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1 40119983 AACFEGCBVGOXQL-LJQANCHMSA-N 383.427 2.572 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40122035 KFVLFPZNZIGBRF-UHFFFAOYSA-N 395.381 2.837 0 40 GFAB O=C(CCCc1ccccc1)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 40128738 SKELGBKVPKTKBT-UHFFFAOYSA-N 389.473 2.636 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(NC(=O)C(C)C)c2)C1 40133260 DBKXVKJSKFOETC-HNNXBMFYSA-N 395.525 2.671 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 44204323 FFZZBVYWFFWWEL-GFCCVEGCSA-N 394.478 2.971 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)c1cccc(N2CCNC2=O)c1 48252867 KUAILXRHHINMKH-UHFFFAOYSA-N 380.448 2.863 0 40 GFAB CN(C)c1nc2sc(C(=O)NCc3cccnc3-n3ccnc3)cc2s1 53442949 LIOSGHUSUGIWGY-UHFFFAOYSA-N 384.490 2.935 0 40 GFAB COC(=O)N1CCC(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 57455592 BWCUTCUPKODYFF-UHFFFAOYSA-N 388.464 2.617 0 40 GFAB COc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)cc1OC 57526477 YUTZACSVZHISCZ-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB COCCn1nnnc1[C@H](CC(C)C)N1CCN(c2cc(C)ccc2C)CC1 57670083 CZMKBOOWGOBUQG-FQEVSTJZSA-N 386.544 2.846 0 40 GFAB COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 58178232 JXJIKJRQPDTXMX-OAHLLOKOSA-N 375.446 2.660 0 40 GFAB Cc1cccc(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c1 65154634 BGKIICDGPRGLBF-UHFFFAOYSA-N 388.475 2.946 0 40 GFAB Cn1c(CCNC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)n[nH]c1=S 67051777 YGKVXVPALDKOPH-GORDUTHDSA-N 376.869 2.822 0 40 GFAB CCc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)s1 70921443 MGYPRIKMNPWMGL-UHFFFAOYSA-N 393.534 2.536 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H](C(C)C)N2CCCC2=O)cn1Cc1ccccc1 72304428 UAUYFDZAAAQWLG-FQEVSTJZSA-N 397.475 2.909 0 40 GFAB COCCn1c(C(=O)N2CCN(CCc3ccccn3)CC2)cc2ccccc21 79484574 JJCZJKXPWMKMLT-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB Cc1ccccc1CNC(=O)CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 89689367 KNNXOVNYLSQPBB-DLBZAZTESA-N 375.513 2.846 0 40 GFAB COc1cc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)ccc1C(=O)O 95435574 AMYGTWRDMVFUIN-UHFFFAOYSA-N 385.416 2.759 0 40 GFAB C[C@@H](CNC(=O)c1c[nH]c2cccc(Br)c12)CN1CCCC1=O 95449148 YTDIYGYYCGARPB-NSHDSACASA-N 378.270 2.919 0 40 GFAB O=C(NCCc1nc(C(F)(F)F)cs1)c1ccc(Cc2nc[nH]n2)cc1 95452119 ZHUABEONBSLWMC-UHFFFAOYSA-N 381.383 2.843 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1ccnn1C 95998585 JFPQREZUMYMSQC-SFHVURJKSA-N 383.427 2.575 0 40 GFAB Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)c2c[nH]cn2)CCC3(F)F)cs1 96078126 QNEDSSLQGIXUOV-MRXNPFEDSA-N 381.452 2.548 0 40 GFAB COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)ccc2nsnc12 96224070 VAASZGIDFWDATN-SNVBAGLBSA-N 390.417 2.815 0 40 GFAB O=C(NCCCn1ccnc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 97464771 OMEFQENAHDFVIP-JXAWBTAJSA-N 380.473 2.922 0 40 GFAB O[C@@H]1CN(Cc2ccsc2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 97797523 OWQOEBLTCMWMLE-FGZHOGPDSA-N 385.577 2.544 0 40 GFAB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220625317 IDRVCOJRANPISP-SFHVURJKSA-N 388.489 2.829 0 40 GFAB CN(c1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1)S(C)(=O)=O 222786078 OLMFEQBTSVRUSZ-UHFFFAOYSA-N 388.474 2.853 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)ccc1C 223487139 RMWKLFRXHFOGSM-CYBMUJFWSA-N 393.461 2.838 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223629559 XCIRRHKHFRSEHO-WOJBJXKFSA-N 393.516 2.681 0 40 GFAB COCCNC(=S)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225899507 KHXHPBIZCPOEQA-PHIMTYICSA-N 391.463 2.911 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1C 253397178 FJWHHYMBTDTYMY-SFHVURJKSA-N 380.535 2.965 0 40 GFAB Cc1ccccc1C(=O)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306125633 CWNAACIZZJVIKT-SFTDATJTSA-N 386.455 2.913 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306132950 LXIDSDYPDJQXLM-CQSZACIVSA-N 376.507 2.987 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 408562750 BCCNWDMJFFHMRF-PXAZEXFGSA-N 384.354 2.987 0 40 GFAB COc1ccc([C@H](NC(=O)N=c2cc[nH]cc2Br)C2CC2)cn1 529040204 MHHDTTUUKJWUFI-OAHLLOKOSA-N 377.242 2.942 0 40 GFAB Cc1ccc(-n2nc(NC(=O)Cn3c(=O)n(C)c4ccccc43)cc2C)cc1 538349637 FITLBMFUVKJDPI-UHFFFAOYSA-N 375.432 2.781 0 40 GFAB O=C1NCCCN(Cc2nc(O)c3cc(Cl)ccc3n2)[C@H]1Cc1ccccc1 570612895 AUGOODFKTSGGCS-SFHVURJKSA-N 396.878 2.922 0 40 GFAB CC(C)Cn1cnc(S(=O)(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c1 585081114 XNNHRQTXPOCPSY-UHFFFAOYSA-N 398.479 2.718 0 40 GFAB COc1ccc2c(c1)CN(C(=O)COCc1ncnn1C)[C@@H](c1ccccc1)C2 585083198 DYLSBCTXXXPFMZ-HXUWFJFHSA-N 392.459 2.667 0 40 GFAB O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc(N2CCOCC2)ncn1 632356431 QEIQSPFXGZOUQH-UHFFFAOYSA-N 384.770 2.820 0 40 GFAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@@H]12)NCc1ccon1 1565550228 VAHGUNXMBDKTRI-FCEUIQTBSA-N 395.503 2.707 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)n1 1775996052 SGRKXXVKDQERGP-KRWDZBQOSA-N 381.480 2.566 0 40 GFAB Cc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)c4cccc(C)c4)C3)C2=O)cc1 1888906652 CCLSIADBGNIMGO-QFIPXVFZSA-N 377.444 2.640 0 40 GFAB Cc1nc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)c2ccncc2n1 2087048844 MBYJQMPATRAWJK-UHFFFAOYSA-N 384.447 2.512 0 40 GFAB O=C(O)CSc1nnc(COc2ccc3c(c2)OCO3)n1-c1ccccc1 702816 KACVMPMLMMBIPK-UHFFFAOYSA-N 385.401 2.752 0 40 GFAB Cc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 709864 QBCARBOGWCHYPW-UHFFFAOYSA-N 385.427 2.651 0 40 GFAB COc1cccc(C(=O)OCCCNC(=O)c2cc3ccccc3oc2=O)c1 1904249 WGYPNYZSMYSNQQ-UHFFFAOYSA-N 381.384 2.779 0 40 GFAB COc1ccc(CCN(C(C)=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 2288524 BNABNXYHGIGSGP-LJQANCHMSA-N 384.407 2.557 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCc4ccccc43)ccc12 3248204 MHUIVQQCDRNYBM-UHFFFAOYSA-N 393.395 2.613 0 40 GFAB Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccco3)s2)cc1 4893622 GBFGMJXQIWXHQD-UHFFFAOYSA-N 377.447 2.708 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1OC)CC(=O)N2 4944430 SMKBQCJIJGDOTG-GFCCVEGCSA-N 375.450 2.763 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(OC)ccc1OC 5126567 WYEJZCBAKRALSQ-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 5298712 JZRZXLHXRFGMEQ-UHFFFAOYSA-N 391.927 2.897 0 40 GFAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1 5298718 YTKPPCGUTAFHRI-UHFFFAOYSA-N 389.886 2.737 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 5299388 XVRAOSDNFDXBLS-UHFFFAOYSA-N 390.490 2.974 0 40 GFAB COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 5351631 WJPUVEMBGMNJPD-IBGZPJMESA-N 384.388 2.607 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 6326764 IKBIDFJXMHHHDA-INIZCTEOSA-N 390.505 2.877 0 40 GFAB Cc1c(O[C@H](C)C(=O)NCCCn2ccnc2)ccc2c3c(c(=O)oc12)CCC3 6658918 QIYASSLETXCKGC-OAHLLOKOSA-N 395.459 2.760 0 40 GFAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H](O)c3ccccc3)c12 6659714 ABKMDXUKNWJKAJ-QGZVFWFLSA-N 381.428 2.892 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)NC[C@@H](O)c3ccccc3)c(C)c2oc1=O 6659788 SNLNMWOLAZDPEW-GOSISDBHSA-N 381.428 2.947 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1O 6848314 LWBGKHSWVSIHBB-UHFFFAOYSA-N 376.217 2.876 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1F 7077206 REQRLGSQQCBVQX-CYBMUJFWSA-N 391.443 2.656 0 40 GFAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)s1 7347955 GAVFYHOZXMWWJA-SECBINFHSA-N 380.857 2.754 0 40 GFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1Cl 8395735 URJDBTXLXQKYKL-SECBINFHSA-N 381.816 2.545 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(Cl)c1 9254972 JNUFXEAXIWWZPE-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1 9419858 LZESNMSVUCGCRU-QGZVFWFLSA-N 399.369 2.568 0 40 GFAB Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 9882416 LOWVEYZSEKASTL-UHFFFAOYSA-N 377.441 2.673 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccccc3F)c(-c3ccc(F)cc3)cn21 10104512 XANXBESTDLXMMP-UHFFFAOYSA-N 393.353 2.610 0 40 GFAB Cc1csc2nc(CN3C(=O)[C@@H](C)N(c4ccc(F)cc4)C3=O)cc(=O)n12 11521094 LYXJTIJMAAFTMX-LLVKDONJSA-N 386.408 2.561 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 11999553 CBHSBSQVNPTOCD-MRXNPFEDSA-N 396.896 2.692 0 40 GFAB O=C(c1ccccn1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 12144725 HVSXUZHZNUECRS-UHFFFAOYSA-N 392.434 2.997 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)c1 12296585 QJWVEWMBHDHSNZ-AWEZNQCLSA-N 378.384 2.793 0 40 GFAB biogenic COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N=c1[nH]c2ccccc2[nH]1 12322964 JKADTBAXDXPILZ-UHFFFAOYSA-N 377.400 2.980 0 40 GFAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1C[C@@H]1CCCO1 12406746 YYHOGWSAZZDCNT-LBPRGKRZSA-N 382.445 2.578 0 40 GFAB Cn1nnnc1-c1cccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 12545183 JBSLEJZJJIBHFO-UHFFFAOYSA-N 376.342 2.947 0 40 GFAB CC(=O)c1ccc(N2CCN(Cn3ncc4ccccc4c3=O)CC2)c(F)c1 12561401 YWXKNKBOHOLIIC-UHFFFAOYSA-N 380.423 2.518 0 40 GFAB CN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@H]1CCS(=O)(=O)C1 12760566 OKNLTVOLVQTNAJ-LBPRGKRZSA-N 388.515 2.633 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(CCC3CCCC3)n[nH]2)C1 12911673 WJNUYHNXWUMTAS-HNNXBMFYSA-N 394.541 2.821 0 40 GFAB COc1cc(OC)c(N2C[C@H](C(=O)NCCCOC(C)C)CC2=O)cc1Cl 12939575 BIZDTHJKUSMAJQ-CYBMUJFWSA-N 398.887 2.641 0 40 GFAB COc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1S(=O)(=O)NC1CC1 12974072 WDPKJYMTEGJGEC-CQSZACIVSA-N 388.489 2.935 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)C1 13790089 LSUKCOSHDBAVKX-AWEZNQCLSA-N 398.488 2.840 0 40 GFAB O=C(CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1)NC1CC1 14187439 OSXOHUAKROURIQ-UHFFFAOYSA-N 395.528 2.550 0 40 GFAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCN(c2ncccn2)CC1 16850204 HHKIBOVNZXWIEB-UHFFFAOYSA-N 398.467 2.707 0 40 GFAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 17188214 DXIXRSJEUJCIOH-UHFFFAOYSA-N 377.293 2.626 0 40 GFAB CC(C)n1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O 17357753 HGKHPHBUKBPGQQ-UHFFFAOYSA-N 390.487 2.935 0 40 GFAB COc1ccc(OC)c(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c1 19551521 SCLLVVQIIIZAFB-OAHLLOKOSA-N 390.505 2.882 0 40 GFAB CN1CCc2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)ncc2C1 19590671 OAQIBBNPHSACCQ-UHFFFAOYSA-N 382.483 2.942 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](c1cccc(Cl)c1)N(C)C 19664849 FHIWMVBMOYZINO-IBGZPJMESA-N 398.894 2.777 0 40 GFAB Cc1cc(CCCC(=O)N2CCc3nnc(C4CCNCC4)n3CC2)ccc1F 19708953 YEMWNAZKGCFPQV-UHFFFAOYSA-N 399.514 2.600 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20488280 REQTXSMMJHQEJV-ZDUSSCGKSA-N 396.896 2.992 0 40 GFAB C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N1CCOCC1 21738041 NNVAJGWYWDMTQB-LLVKDONJSA-N 382.486 2.629 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(N3CCCC3=O)cc1)C2=O 22586914 KSPNFWGRROYGNC-UHFFFAOYSA-N 391.427 2.747 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccnc1OCC(F)(F)F 24859533 IFVILRWBFOVKBV-LBPRGKRZSA-N 382.338 2.935 0 40 GFAB CCNC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 25122951 SJOKLNUXYQLEIR-UHFFFAOYSA-N 398.482 2.879 0 40 GFAB COc1ccc(OC)c(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 25224533 UGVOCOSFWOPERG-SFHVURJKSA-N 393.443 2.649 0 40 GFAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 29780317 FWFCZAXKISJVRM-ZWKOTPCHSA-N 394.475 2.828 0 40 GFAB Cc1cc(CNC(=O)CN(C)CC(=O)Nc2ccccc2Cl)ccc1F 30999857 IDZPHXISCAFJSH-UHFFFAOYSA-N 377.847 2.974 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 32924117 DRMCWUOCIZESLS-UHFFFAOYSA-N 376.432 2.572 0 40 GFAB Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1S(=O)(=O)N(C)C 33148435 USKFAHHEVNPHMN-UHFFFAOYSA-N 384.461 2.683 0 40 GFAB Cc1cc(N)nc(SCCS(=O)(=O)c2ccc(Br)cc2)n1 37132738 WPLIWKLIEBBGFN-UHFFFAOYSA-N 388.312 2.696 0 40 GFAB COc1ccc(CCS(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 38681550 NAGBJJIAMWDKHS-UHFFFAOYSA-N 386.473 2.515 0 40 GFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cccc(NC(C)=O)c1 40040689 NMNJOGLBBUFZDK-UHFFFAOYSA-N 397.431 2.521 0 40 GFAB CC(C)N(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 40150996 UAEZKGCMWTZITI-UHFFFAOYSA-N 377.466 2.510 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)Cc1csc(N2CCNC2=O)n1 46753116 UKMOZLKWOJVKIJ-UHFFFAOYSA-N 380.857 2.824 0 40 GFAB CCc1ccc([C@@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)N(C)C)cc1 48290658 GFZGAXBFILGVJY-OAQYLSRUSA-N 392.503 2.722 0 40 GFAB Cc1c(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)oc2c(Cl)cccc12 48340748 YVLQXPZSQGPFIR-UHFFFAOYSA-N 384.885 2.891 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1 48345184 BUNGXJDXCRYVJL-QGZVFWFLSA-N 396.896 2.708 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2nc3ccccc3n2C)CC1 49372115 HMJYZAXFBTZJQY-KRWDZBQOSA-N 378.476 2.685 0 40 GFAB CCCS(=O)(=O)[C@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 55259680 BYJIFJHHWXXJQX-VXGBXAGGSA-N 376.316 2.710 0 40 GFAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 58343781 PQLRHTYFWHKLED-UHFFFAOYSA-N 393.513 2.501 0 40 GFAB COc1ccccc1NC(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62163243 HJSTXAYJDBJZKW-UHFFFAOYSA-N 378.436 2.526 0 40 GFAB CN(CC(=O)NCCc1ccc(Cl)cc1)CC(=O)Nc1cc(F)cc(F)c1 66844515 NRBXNVBPYBTWIS-UHFFFAOYSA-N 395.837 2.847 0 40 GFAB COc1cc(S(=O)(=O)N2C[C@H](C)c3ccccc32)cc(C(=O)O)c1OC 71818118 XARANVNKTUATNH-NSHDSACASA-N 377.418 2.714 0 40 GFAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(O)cc2)CC1 72311923 YXGWJRBPCFEOLW-HNNXBMFYSA-N 377.444 2.903 0 40 GFAB Cc1nc2ncnn2c(N2CCC3(CC2)C[C@@](O)(c2ccc(F)cc2)CO3)c1C 72335447 NCJSAJIBYUAKOE-NRFANRHFSA-N 397.454 2.527 0 40 GFAB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1 78789953 GCCMESPTJNMAQS-UHFFFAOYSA-N 393.371 2.958 0 40 GFAB C[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccc(C(F)(F)F)c1 79056638 HAWXTJORQFITJX-JTQLQIEISA-N 390.383 2.839 0 40 GFAB O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCO[C@@H](c2ccccc2)C1 79489741 HJPABEJFQAAARE-DLBZAZTESA-N 386.883 2.947 0 40 GFAB COc1ccc(C(=O)COC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1 89893813 JROZJAIARQLXQW-UHFFFAOYSA-N 391.449 2.815 0 40 GFAB O=C(CN(Cc1cccnc1)Cc1ccco1)NC(=O)NCc1cccs1 95459782 KBDGBERJGLUILH-UHFFFAOYSA-N 384.461 2.764 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)CCn2cnc3ccccc3c2=O)c1 95480025 ALWSEAQLWXFJQN-UHFFFAOYSA-N 390.443 2.566 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(CCOC(C)C)CC2)c2ccccc12 95962863 KPSDDTZUMLZDQS-UHFFFAOYSA-N 392.521 2.580 0 40 GFAB O=C(COc1coc(CN2CCCC2)cc1=O)NCc1ccc(Cl)cc1 96232815 HDXSMTPZUSBWBQ-UHFFFAOYSA-N 376.840 2.584 0 40 GFAB COc1ccc(NC(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1 96237811 HMRVEMDHEVJWOZ-JOCHJYFZSA-N 394.475 2.650 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc(I)c1 100237350 MHPWIUHQCRHJIL-OJVARPOJSA-N 391.208 2.849 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@@H]3C2=O)c1 100559191 IOSGVIBONFEHJT-DPZWOIPNSA-N 377.396 2.663 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 100766707 HSSZLNUCBKRYPI-JYBIWHBTSA-N 383.536 2.744 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]23)c1OC 102545318 NCPIHPKANQWILO-LPHOPBHVSA-N 380.400 2.613 0 40 GFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 104106568 ZZTMQFYXUCRZOR-YXUGBTPSSA-N 395.436 2.766 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]4C2=O)no1 106021687 VJQRWGXSYACNSR-FVQSIRDASA-N 385.807 2.562 0 40 GFAB Cn1c(=O)[nH]c2cc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)ccc21 106831928 LUPMBCLXKSBLFO-UHFFFAOYSA-N 383.408 2.700 0 40 GFAB COC(=O)c1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219719955 JQYBZKQPOZBBCZ-UHFFFAOYSA-N 390.461 2.513 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 220157680 LFQYRBGLJXUYGY-CQSZACIVSA-N 392.477 2.887 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1c(F)cccc1F 223215513 CINPPQILAADNMP-NSHDSACASA-N 384.404 2.767 0 40 GFAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc(C)c(Cl)c2)n1 224179806 QPZFRXMJDIRKSZ-UHFFFAOYSA-N 375.860 2.905 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCC[C@@H](C)C2)s1 224184189 KSCBIFRGISSKFU-LLVKDONJSA-N 380.495 2.519 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 225420321 PPCBJCAOXYPEJW-UHFFFAOYSA-N 390.461 2.674 0 40 GFAB Cc1cccc(Cn2nc3c(=O)n(-c4cccc(Cl)c4C)ccn3c2=O)c1 252484870 GJSPTVYDJQUQIL-UHFFFAOYSA-N 380.835 2.965 0 40 GFAB C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc2c(c1)CCCC2 253371711 CBUUUNBKIHMLMC-OFWVIWDHSA-N 392.499 2.938 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 257202069 AKIBINSBYHFUTE-SFGWALBWSA-N 380.492 2.819 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257307995 TVALKEKNUCUCKK-GOSISDBHSA-N 396.422 2.633 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)C1 260507912 PBAFMUYSDPIZRO-DOTOQJQBSA-N 394.537 2.775 0 40 GFAB CCN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 260566866 YTYGDFCQRTVPPT-GOSISDBHSA-N 388.489 2.811 0 40 GFAB CN([C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)S(C)(=O)=O 260770513 SUGFXCWNTHBHTA-LMFLDHGRSA-N 376.522 2.704 0 40 GFAB COCC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccccc3)C(=O)C[C@H]12 306127845 GIWBUVGXFJVOHT-URXFXBBRSA-N 392.499 2.994 0 40 GFAB COc1ccc(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)c(OC)c1OC 390826481 MGPUWXFWBXWPTP-HXUWFJFHSA-N 387.388 2.564 0 40 GFAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408583292 GWYDHXGFAUDKDG-UHFFFAOYSA-N 388.917 2.854 0 40 GFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408594915 PWXROEBCXXLHIG-UHFFFAOYSA-N 390.461 2.721 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408975743 MKAHLCSPCJNTFH-CYBMUJFWSA-N 384.395 2.869 0 40 GFAB CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 409004534 DLMDZDLHUVDZBF-UHFFFAOYSA-N 384.860 2.724 0 40 GFAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 409057016 GDQDXBILACAHPI-MKTJXXHISA-O 388.422 2.842 0 40 GFAB O=[S@@](Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc2c(c1)OCCO2 518647853 MKVHRTXIMSSMQS-MHZLTWQESA-N 386.385 2.544 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H]1CCCN(c3ncccn3)C1)CC2 524733586 WZPWXYFMRMUGSC-NVXWUHKLSA-N 382.464 2.514 0 40 GFAB C[C@@H]1CN(C(=O)CCn2cc(Br)ccc2=O)Cc2ccccc2O1 553840273 BTBIIFFYQRCQOC-CYBMUJFWSA-N 391.265 2.811 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1sccc1-n1ccnn1 583496473 PXOJASUOMPLYKY-LLVKDONJSA-N 382.371 2.988 0 40 GFAB CCN1C(=O)CC[C@H](C(=O)N2CCc3ccc(F)c(F)c32)[C@H]1c1ccnn1C 585114326 QSFNRYBIEDUJDI-DJJJIMSYSA-N 388.418 2.587 0 40 GFAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1ncn(C(C)(C)C)n1 666670493 MKDBFXFBVFXWEE-DZGCQCFKSA-N 375.477 2.539 0 40 GFAB CC(C)[C@@H](C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1ccc(F)cc1 1534065098 OYSOMAVYIWRHGG-GOSISDBHSA-N 390.436 2.930 0 40 GFAB COc1ccc(Cl)c(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)c1 1565556638 OLOPJYVYHQNDTE-UHFFFAOYSA-N 381.823 2.794 0 40 GFAB NCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 1615078619 BMQZWBYLDSQMNS-PMACEKPBSA-N 376.884 2.692 0 40 GFAB CC(=O)N[C@@H]1CN(Cc2ccc(C)c(Br)c2)C[C@H]1c1nccn1C 1615548033 HTADRBXNRYIETD-NVXWUHKLSA-N 391.313 2.595 0 40 GFAB COCc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 2037850080 QWHNOQAQQSHEHL-HSZRJFAPSA-N 394.471 2.871 0 40 GFAB COc1ccc(CN2CCO[C@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)cc1 2056226093 KAGVXKXRFXUMDW-UNMCSNQZSA-N 388.508 2.504 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 715270 AGBRNNFXUULIMS-KEYYUXOJSA-N 382.313 2.930 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)cc1F 800574 ZTXSHMQCNKWXFO-UHFFFAOYSA-N 396.415 2.767 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 1353399 FCWLKVKMJGATGW-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB O=C1C=C(N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 1441833 FNTUTXDLXRKDAF-UHFFFAOYSA-N 383.835 2.625 0 40 GFAB c1ccc(-n2nnnc2SCCCSc2nnnn2-c2ccccc2)cc1 2031045 IAJFHEIRTITAHG-UHFFFAOYSA-N 396.505 2.913 0 40 GFAB COc1cc(COC[C@@H](O)CN[C@H](C)c2ccccc2)cc(OC)c1OC 2686925 WXONXIJDSQKEMJ-QAPCUYQASA-N 375.465 2.941 0 40 GFAB CC(=O)Nc1ccc(SCC(=O)OCC(=O)Nc2cccnc2Cl)cc1 3398559 WJTWOGKEYLTKRN-UHFFFAOYSA-N 393.852 2.967 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccc(Cl)s1 4242897 FRONTKSNJDLKDL-UHFFFAOYSA-N 380.853 2.930 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)c1 4483201 URXRYNBRYWNXTL-UHFFFAOYSA-N 397.862 2.967 0 40 GFAB O=C(Nc1ccccc1I)c1ccnc(-n2cnnc2)c1 4975406 VGKVLEIVKQNCHK-UHFFFAOYSA-N 391.172 2.519 0 40 GFAB O=c1[nH]cnc2ccc(NC(=S)Nc3ccc(N4CCOCC4)cc3)cc12 5491190 XMYVOIWWEJXIFI-UHFFFAOYSA-N 381.461 2.569 0 40 GFAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)c1c[nH]c2ccccc12 5754578 GXJZLGUCQOBHLL-GFCCVEGCSA-N 375.384 2.762 0 40 GFAB CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)n[nH]c1=O 5925086 IYMOCYVMAQYINP-UHFFFAOYSA-N 398.510 2.567 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 5958715 YBYAKEMUBNDXCE-HOTGVXAUSA-N 382.460 2.902 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@@H]1CCCCC1=O 6205533 VRZAPVSKWSKRHU-GOSISDBHSA-N 379.478 2.838 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2O1 6624208 GNDCXZNEFPFMPY-UHFFFAOYSA-N 385.372 2.882 0 40 GFAB biogenic Cc1ccsc1CN(C)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 7185552 RAZJWOQRDQFBBC-OAQYLSRUSA-N 397.500 2.799 0 40 GFAB O=C([C@H]1CN(Cc2cc(-c3ccco3)on2)c2ccccc2O1)N1CCOCC1 8230991 JFROEPXMILVTSQ-HXUWFJFHSA-N 395.415 2.561 0 40 GFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 8600740 ZACSVGZXGYBSFZ-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 8716697 AJPCDTNVOWVUTL-XEQVNJCQSA-N 375.281 2.801 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)Cc2cc(Cl)ccc2OC)cc1 9051891 LFAMLWZLQUOBGI-UHFFFAOYSA-N 376.840 2.997 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)c(C)c1 10063774 UVUPYCAHCYKJLW-UHFFFAOYSA-N 387.461 2.663 0 40 GFAB CCS(=O)(=O)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10253126 SKLNLRVDTLKANY-UHFFFAOYSA-N 386.429 2.507 0 40 GFAB O=S(=O)(c1cc(NCc2nc3ccccc3o2)ccc1F)N1CCOCC1 10825188 YEUNXMLUOAUSKK-UHFFFAOYSA-N 391.424 2.600 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2nccn2-c2ccccc2F)CC1 11695688 SFZKTEFBZQZLTP-UHFFFAOYSA-N 394.406 2.703 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(OC)c2OC)c1C 12773351 ABSSDGYIHRXVJD-UHFFFAOYSA-N 390.436 2.716 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 12864913 IDHMKFAHDZBSNX-UHFFFAOYSA-N 376.844 2.748 0 40 GFAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(=O)n(CCOc2ccccc2)n1 12943373 OSSMNHZHTFAYSH-SFHVURJKSA-N 391.427 2.576 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccn1 13041681 OTBMEPOZJGPPLU-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB COCCNC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 13637496 KCSLNWLMRPSCFP-UHFFFAOYSA-N 375.475 2.506 0 40 GFAB CC(C)(C)NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13680715 BCYWFVZCIFAWJF-GOSISDBHSA-N 388.489 2.699 0 40 GFAB O=C(Nc1ccccc1F)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13733705 JCEXVASFGXKHMK-GFCCVEGCSA-N 377.441 2.513 0 40 GFAB COc1ccccc1NC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 15081100 HUNVGBKDDVLBHU-LRXVAGHRSA-N 393.443 2.818 0 40 GFAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 16348809 FEOZTNDHWKHNTJ-UHFFFAOYSA-N 386.458 2.898 0 40 GFAB O=C(O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 16807969 SLPCMDWYAIFTRV-IEVJBBGNSA-N 399.487 2.580 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OC 17959745 GEEDMRRGFFCIAH-NSHDSACASA-N 382.869 2.748 0 40 GFAB O=C([C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)C1)N1CCCCCC1 19402038 ZOZAXSIHVPYVJG-UXHICEINSA-N 398.551 2.939 0 40 GFAB COc1nn(CC(=O)N[C@H](C)c2ccc3c(c2)CCCO3)c(=O)c2ccccc12 19458906 BUVAQDPUYQLGBS-CQSZACIVSA-N 393.443 2.608 0 40 GFAB CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1 19520285 BRKWWHYXZOLBQG-ZWNOBZJWSA-N 380.436 2.720 0 40 GFAB CCn1cc(CN2CCN(C(=O)c3cc4cc(OC)ccc4nc3C)CC2)cn1 19524966 ABPXIDILTKCMNS-UHFFFAOYSA-N 393.491 2.726 0 40 GFAB Cc1noc2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc(C(F)F)c12 19564729 GFJRVFPMQRWNDF-UHFFFAOYSA-N 390.394 2.857 0 40 GFAB CN(C[C@H]1OCCc2ccccc21)C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 19586004 LBNXCQXSJNMZEE-OXQOHEQNSA-N 382.435 2.951 0 40 GFAB CN1CCc2c(c(N3CCC(Cc4ccccc4)CC3)nc3n[nH]c(N)c23)C1 20533620 VQWBVSYQRWTCHL-UHFFFAOYSA-N 376.508 2.987 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(C)cc1 20636715 PGVANTOMROFXNR-PMACEKPBSA-N 391.471 2.760 0 40 GFAB CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2N2CCOCC2)C1=O 21581193 BPVWEPRDBDAFCM-UQZIKHPZSA-N 396.472 2.777 0 40 GFAB C[C@H]1CN(CCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)C[C@@H](C)O1 24924274 FUSHYTUXGOFIJZ-IYBDPMFKSA-N 385.464 2.761 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@H](c2ccccc2)C1 27910755 LPCHLPLWYWPIID-IBGZPJMESA-N 377.444 2.846 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NC[C@H]1CCCO1 27936416 CYXRISRSWRLWBC-RKDXNWHRSA-N 384.196 2.829 0 40 GFAB Cc1ccc(-n2nc(C(=O)Nc3ccc(-n4cncn4)nc3)c3c2CCC3)cc1 30248725 PDORQKPQFCWCGP-UHFFFAOYSA-N 385.431 2.897 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccs1)SCC(=O)N2 31809895 JJYJOBUOFSNBBU-CYBMUJFWSA-N 383.462 2.683 0 40 GFAB CCc1c(C)sc2nc(N(CCO)CCO)n3nc(-c4ccccc4)nc3c12 32090628 PCMLOSRMCQHKPR-UHFFFAOYSA-N 397.504 2.668 0 40 GFAB COc1ccccc1N1CCN(C(=O)Cc2cnc(-n3cccc3)s2)CC1 32097373 HESKMCGGAMGBCA-UHFFFAOYSA-N 382.489 2.834 0 40 GFAB COc1ccccc1OC[C@H](O)CSc1nc2c3ccccc3ncn2n1 32815359 PYIOUBOOMFCSSG-ZDUSSCGKSA-N 382.445 2.818 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1Cl 33668018 SGRFRIPBIWBCHL-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(c2ncccn2)CC1 36393458 CPPURYUIOXQYAX-OAHLLOKOSA-N 381.480 2.860 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 47362906 AZRXRPHGPAGDQK-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB CN(CC(=O)NCCc1cc(F)cc2c1OCOC2)c1ccc(Cl)cn1 53502343 OCEBLFDTDHDHEW-UHFFFAOYSA-N 379.819 2.536 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O 55695037 IUEZNDOXQMWVBI-OAHLLOKOSA-N 376.478 2.588 0 40 GFAB COc1ccccc1N1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 57352523 ALCQREMHXVMMTE-HNNXBMFYSA-N 389.446 2.973 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3occc3C)CC2)cc1C 58202604 IFKPWYMDQGQONY-UHFFFAOYSA-N 376.478 2.788 0 40 GFAB C[C@H](Sc1ncccn1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 58264812 NDZOXVJFAUQKBY-NSHDSACASA-N 379.869 2.741 0 40 GFAB CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)c1 58407755 MPSYTASYTIIHBS-ULMVMLMRSA-N 375.513 2.956 0 40 GFAB O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC2(CC1)OCCO2 65106547 XKTZAODWABMAKG-UHFFFAOYSA-N 392.253 2.818 0 40 GFAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656000 PEIHLDKGICTAQM-MRXNPFEDSA-N 396.882 2.849 0 40 GFAB C[C@H](CNC(=O)c1cccnc1Nc1cccc(F)c1)CN1CCN(C)CC1 72283838 ZHHAZRPPOBYSJY-MRXNPFEDSA-N 385.487 2.578 0 40 GFAB CCCOC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340275 IXMLMCBAXDISNI-WWMYMODYSA-N 391.439 2.634 0 40 GFAB COc1ccccc1CNC(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100369 QGLNIRSEGLFZKC-UHFFFAOYSA-N 377.326 2.620 0 40 GFAB O=S(=O)(NCC[C@H](O)c1cccs1)c1ccccc1Br 77115091 BAGXUUYPRIACCD-NSHDSACASA-N 376.297 2.913 0 40 GFAB Cn1cc(-c2ccco2)nc1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 90606997 IRKZVHFKAVVOTO-UHFFFAOYSA-N 383.832 2.994 0 40 GFAB COc1ccc2oc(C)c(C(=O)Nc3cccc(C(=O)NCC(=O)O)c3)c2c1 95425113 JVENWOAFJJNSQR-UHFFFAOYSA-N 382.372 2.817 0 40 GFAB CCCCNC(=O)CN(C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 95448085 LPKDJNHIPPEGRV-UHFFFAOYSA-N 378.492 2.918 0 40 GFAB O=C(NCCO)c1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 95465553 CWNMDYAXYBUCHZ-UHFFFAOYSA-N 398.390 2.972 0 40 GFAB CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc3c(c2)OCO3)s1 95478077 NJPNLMIUUWJJTQ-ABAIWWIYSA-N 388.449 2.548 0 40 GFAB c1ccc(CN2C[C@H]3[C@@H](NC4CCN(C[C@@H]5CCOC5)CC4)CC[C@H]3C2)cc1 96003166 QDUABLWEOHMWCC-ZQRMPTRQSA-N 383.580 2.988 0 40 GFAB CCN(CC)CCCC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 96007912 IBYXXRSSSYGOKM-LEWJYISDSA-N 379.589 2.990 0 40 GFAB COc1ccccc1C(=O)NC[C@H]1COCc2nc3cc(NC(C)=O)ccc3n21 96112484 ROAHDPMJIXPVBA-HNNXBMFYSA-N 394.431 2.505 0 40 GFAB biogenic,in-vitro CCN1C[C@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 100164247 GOPIUFURVJPNIZ-FOUBCARRSA-N 384.451 2.513 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2c2nc(-c3ccccc3)no2)cn1 100220001 QCWDVEFLPTWDEL-BFYDXBDKSA-N 399.476 2.867 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)C4CC4)nn3c2O)C1 100234045 GVWJSMHIDAFANR-SFHVURJKSA-N 383.496 2.665 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)cc1 100769042 CAGDCRCNGWPSHF-IAGOWNOFSA-N 378.538 2.970 0 40 GFAB Cc1sc2nc(CS[C@@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c(=O)c2c1C 108842210 ZVGOGACQKDCXAV-KWBADKCTSA-N 395.550 2.859 0 40 GFAB O=C(CC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1)c1ccccc1 109143134 LVYYRJJGWXNADG-UHFFFAOYSA-N 381.413 2.733 0 40 GFAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CO)CO)cc1 218503419 JRQMMWISXPPMGY-ZWKOTPCHSA-N 380.893 2.813 0 40 GFAB CN(CCCC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1 219714094 FBWSLZJFDXHXLN-UHFFFAOYSA-N 396.534 2.730 0 40 GFAB CN(c1cccc(C(=O)NCCSCc2ccccc2)c1)S(C)(=O)=O 222407927 HKSKPIZSWPWJTG-UHFFFAOYSA-N 378.519 2.746 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 223345844 LONPARJYFDDXFL-UHFFFAOYSA-N 382.825 2.984 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1 224001695 XZUKUNVCDLXZNI-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB O=C(NCc1nccc(N2CCOCC2)n1)C(c1ccccc1)c1ccccc1 224170670 LOUZWLAEMWCVRR-UHFFFAOYSA-N 388.471 2.762 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 225341838 OVVPLIBDDSRNDH-ZDUSSCGKSA-N 392.477 2.875 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN12 229805759 GMTQUPLCNPNNBD-HCXYKTFWSA-N 378.403 2.661 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](Oc2cccc(C)n2)C1 238940602 VYKAWLPZQGLAKL-AWEZNQCLSA-N 382.869 2.894 0 40 GFAB O=C(NCC[C@H]1CCOC12CN(Cc1ccccc1F)C2)c1cscn1 247496512 OJAFFWYYCXRGCC-HNNXBMFYSA-N 375.469 2.693 0 40 GFAB CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257202061 AKHMSBTWEWASCY-QGZVFWFLSA-N 383.370 2.970 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@](C)(c2ncc(Cc3ccccc3F)o2)C1 257225214 FFHSSNPILROZHD-SFHVURJKSA-N 381.473 2.564 0 40 GFAB CN(CCc1ccccc1)[C@H]1[C@H](N)C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O 257279282 OFWWYYHEUZSNKM-ZRNYENFQSA-N 378.875 2.862 0 40 GFAB NC(=O)C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[C@@H]1Oc1ccccc1 257313803 UUFAYRQHNIIGDL-RDJZCZTQSA-N 380.435 2.983 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260839036 GXFVMMNZOAKCFZ-USJZOSNVSA-N 380.510 2.545 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccncc3)C[C@H]21 306142264 WUTPUHDZZFYURA-TZIWHRDSSA-N 377.469 2.899 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408975746 MKNIAUHJWODPIA-CYBMUJFWSA-N 384.395 2.869 0 40 GFAB Cc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 409173305 IJJRDWARECNCIB-UHFFFAOYSA-N 395.488 2.784 0 40 GFAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 409383812 ISELLNQPLJFPMD-CQSZACIVSA-N 390.461 2.575 0 40 GFAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 551243750 UOUACBGSSRSGDB-QMMMGPOBSA-N 382.663 2.588 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575610156 TZXKQEXQXHQYAH-CQSZACIVSA-N 385.848 2.642 0 40 GFAB CCCS(=O)(=O)NC1CCN(Cc2c(C(=O)O)sc3ccccc23)CC1 577500281 RXLOXJCPACHPEJ-UHFFFAOYSA-N 396.534 2.893 0 40 GFAB Cc1nc(Cn2cc(C(=O)N3CC4(CCCC4)[C@H]3c3ccccc3)nn2)no1 577936906 AFNAKLRDKLDCFS-GOSISDBHSA-N 378.436 2.775 0 40 GFAB Cc1nn(C)c(OC[C@@H]2CCCCO2)c1C(=O)Nc1ccc(OC(F)F)nc1 585080636 VYRUWZPBENGRND-ZDUSSCGKSA-N 396.394 2.925 0 40 GFAB C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)N(C)CC2=CCCOC2)C1=O 585099550 VUWUPPWOWOZUTM-BEFAXECRSA-N 389.471 2.866 0 40 GFAB COc1ccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111169 HNWAPLSYUBXZGL-FQEVSTJZSA-N 377.444 2.984 0 40 GFAB Cc1nc(Nc2cnccn2)cc([C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 585291871 GQTOKCXNGUJBOV-DVBCCOPCSA-N 386.459 3.348 0 40 GFAB CCCCCCN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 604381965 WXNUCOXQMNTJBN-GOSISDBHSA-N 389.515 2.617 0 40 GFAB biogenic,in-vitro Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](N)CCO2)sc1Cl 652383468 VTNSEJPOGMDSES-UPJWGTAASA-N 378.947 2.759 0 40 GFAB Cc1cn(C)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1=O 664060381 MBLOTLGVJLGJMQ-HNNXBMFYSA-N 396.274 2.526 0 40 GFAB C[C@@]1(C(F)F)CN(C(=O)Nc2cnc3c(Br)cccn23)CCO1 667098013 JLOUCGXBZDHBMJ-AWEZNQCLSA-N 389.200 2.985 0 40 GFAB Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CCCn3cnc4c(N)ncnc43)C2)cc1 1520127413 TUZDHYCPXBIECQ-DOTOQJQBSA-N 378.480 2.902 0 40 GFAB COc1ccc(CC(=O)N2CCc3nn4ccc(NC5CC5)nc4c3C2)cc1F 1565553608 FZSGNLKDSBRRKM-UHFFFAOYSA-N 395.438 2.579 0 40 GFAB O=C(N1CCC(COc2ncccn2)CC1)C1(c2ccccc2)CCOCC1 1775995647 CSAJOXFZNQNTME-UHFFFAOYSA-N 381.476 2.842 0 40 GFAB COc1ccc(C[C@@H]2CN3CCN(C(=O)OCc4ccccc4)C[C@@H]3CO2)cc1 2037569106 ZJOJFQWSWAYZDV-IFMALSPDSA-N 396.487 2.960 0 40 GFAB Cc1ccsc1C(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055739158 MOAVLZXJZMAELH-UHFFFAOYSA-N 390.534 2.879 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@]3(CCCN(c4nccc(C)n4)C3)C2)n1 2056224231 MMLNKAFIYGSSTN-OAQYLSRUSA-N 381.480 2.711 0 40 GFAB Cc1cc(I)ccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 626688 HGECLFRJMUQNGK-DJBIQUGXSA-N 379.197 2.911 0 40 GFAB COc1ccc(N2C(=O)c3sc4nc(=O)c5ccccc5n4c3C2=O)cc1 952399 NPXHFUYOMCFUEC-UHFFFAOYSA-N 377.381 2.718 0 40 GFAB COc1cc(OC)c2c([C@H]3NC(N)=Nc4nc5ccccc5n43)cn(C)c2c1 1430242 CFFHEWYRADGREW-SFHVURJKSA-N 376.420 2.642 0 40 GFAB COc1ccc(-c2nc3s/c(=C\c4ccccc4F)c(=O)n3n2)cc1OC 2349048 CHQHMEMTFHFJNY-YBEGLDIGSA-N 383.404 2.522 0 40 GFAB CCOCCCNC(=S)NCCCn1nc(C)c(Br)c1C 2791120 LSQPRCOAUNSLLS-UHFFFAOYSA-N 377.352 2.543 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4046276 YWZIKHGMOUDZQZ-OHEPNIRZSA-N 392.455 2.984 0 40 GFAB biogenic Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)no1 4077006 RAOGUIYRSFJVCY-UHFFFAOYSA-N 384.396 2.958 0 40 GFAB Cc1ccc(-n2ncc3c(SCC(=O)NC[C@@H]4CCCO4)ncnc32)c(C)c1 4341756 YKDYYWIEVWSZAC-HNNXBMFYSA-N 397.504 2.820 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885348 XWKQYSFFCKQMDI-MSQSPTIYSA-N 396.418 2.516 0 40 GFAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4901904 GNMWHBAJTKJJEB-MHTWAQMVSA-N 377.440 2.979 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)nc2scc(C)n2c1=O 6823599 VGNIBPZMGZJDDY-UHFFFAOYSA-N 399.881 2.836 0 40 GFAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2c(=O)[nH]1 6976263 JCCQTKBXBFWCSC-CHWSQXEVSA-N 395.390 2.720 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSC(=S)N2CCCC2)c1 8156963 IGYPWWUYRYDFJK-UHFFFAOYSA-N 392.955 2.796 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3ccncc3)C3CC3)ccc21 8720738 LCNZCMAZDLIBAF-UHFFFAOYSA-N 385.489 2.734 0 40 GFAB COc1ccc(N2C[C@@H](CNC(=O)Nc3cc(OC)cc(OC)c3)CC2=O)cc1 9039364 SOKSSAMENDCKFH-CQSZACIVSA-N 399.447 2.887 0 40 GFAB Cc1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 9690054 OARDPLLNDZVFCO-MRXNPFEDSA-N 395.459 2.596 0 40 GFAB COc1ccc(C)cc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O 10110228 JNOGKHZNVXWPIP-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB Cc1ccc(Cn2c(=O)c3c(nc4n(CC(C)C)c(C)c(C)n34)n(C)c2=O)cc1 10233653 UUQDZBLUJRROTB-UHFFFAOYSA-N 393.491 2.779 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1S(N)(=O)=O 10546374 HVDGBUJGOMRLSA-OAHLLOKOSA-N 398.488 2.539 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1C 10780842 DQQONZPZFQQQHJ-UHFFFAOYSA-N 397.475 2.843 0 40 GFAB Cc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc(S(=O)(=O)N(C)C)c1C 10816732 ZXRYUCVNBSPSRH-UHFFFAOYSA-N 395.569 2.593 0 40 GFAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)NC(=O)NC1CC1 11343609 RHLWWCJUMUIGPM-HNNXBMFYSA-N 394.475 2.920 0 40 GFAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)nc12 12117706 MBWKEOZHQMXXCX-CVEARBPZSA-N 381.480 2.652 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 12155473 CJFNYVWELBPKSN-FZONSQQESA-N 398.478 2.902 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)CCCn3nc(C)cc3C)cc2n1 12276504 ARNCHXICSKDMRS-GOSISDBHSA-N 396.495 2.955 0 40 GFAB COCCNC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12327204 SELOVAKQHLBEEB-UHFFFAOYSA-N 380.391 2.722 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)ccc2N1 12362456 LAFMMOKWZIKUSQ-KRWDZBQOSA-N 391.537 2.600 0 40 GFAB CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1 12365747 OHVDDBGAFDACQH-GOSISDBHSA-N 375.469 2.941 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C\c2ccc(C)cc2)n2ccccc2=O)C1 12463854 YCIPNITVXCWISF-NGYXKBBWSA-N 394.471 2.957 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2ccccc2)c1 12974978 ZMAISQFIYUAXDT-UHFFFAOYSA-N 380.897 2.953 0 40 GFAB Cc1nn(-c2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nn2)c(C)c1C 13008937 JRYGZXCGFYBJCG-UHFFFAOYSA-N 382.512 2.816 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 13078512 SCSOWNBFPCHNRT-UHFFFAOYSA-N 377.418 2.681 0 40 GFAB Cc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3cccc4ccccc34)nc2n1 14068485 NYSINQPAODUILB-UHFFFAOYSA-N 388.431 2.605 0 40 GFAB Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1 15865371 WIIBDKTXXYZFGW-UHFFFAOYSA-N 391.471 2.560 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3C)CC2)c1 17079701 JWKIFQWASHAFAN-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB Cc1ccc(C)c(OC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1C 19199397 DBJSZDWVEYOMGD-UHFFFAOYSA-N 378.428 2.589 0 40 GFAB Cc1nnnn1-c1ccc(CC(=O)N[C@@H](c2ccncc2)c2cccs2)cc1 19288441 YKHFNDCCZNPQSQ-FQEVSTJZSA-N 390.472 2.876 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)ccc1=O 19290503 PTBKRMGNKLQBEX-MRXNPFEDSA-N 396.472 2.565 0 40 GFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC(C)C)CCO1 19446526 JWOKUKDNBXQAAG-HSZRJFAPSA-N 395.503 2.681 0 40 GFAB CCc1noc(CC)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19521323 JKIPURJEPMHZFL-AWEZNQCLSA-N 383.496 2.597 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCC(N4CCCC4)CC3)[nH]n2)c(OC)c1 19716298 CAKFQYYLETYZKT-UHFFFAOYSA-N 384.480 2.794 0 40 GFAB CN(C)C[C@H]1CCCN(C(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)C1 19748231 HIBIINCWHHBWIG-OAQYLSRUSA-N 385.552 2.658 0 40 GFAB CN(C)C(=O)c1cc([C@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12 19759027 JFXORTFNDBVQBE-HXUWFJFHSA-N 390.443 2.545 0 40 GFAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NC(=O)Nc1ccccc1 19797015 OWXUZYMYWIJDIP-UHFFFAOYSA-N 378.417 2.947 0 40 GFAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3cccc(F)c3)n2)cc1 20719325 JQFASEXDTFUEOC-UHFFFAOYSA-N 384.367 2.676 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)CC1 20798744 ZVNPVBRKTXHWQE-MRXNPFEDSA-N 378.856 2.555 0 40 GFAB COc1cccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 21143435 BPVIHNMQGKATBQ-KRWDZBQOSA-N 384.432 2.622 0 40 GFAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCN(C)CC2)o1 22938363 OZUDOPUBURRLGL-SFHVURJKSA-N 391.899 2.725 0 40 GFAB CC(C)NC(=O)Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O 23108767 FSPDLMVAOGJCJH-UHFFFAOYSA-N 397.504 2.645 0 40 GFAB Cc1nc(C2(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)CCCCC2)no1 23508235 JWDAFPXBRROZET-UHFFFAOYSA-N 396.447 2.616 0 40 GFAB O=C(N1CCN(c2ncccn2)CC1)C1(c2ccc(Br)cc2)CC1 24607585 ZKHYREAPDHVYBF-UHFFFAOYSA-N 387.281 2.620 0 40 GFAB O=C(CCN1CCSC1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 24778362 SCCFLVCQIXTCEZ-UHFFFAOYSA-N 389.458 2.511 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)NCC1(N2CCOCC2)CCCCC1 27579629 HJOVVXIYXAFBQN-QGZVFWFLSA-N 376.497 2.614 0 40 GFAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 28730227 RUJPHMVJWLTCCQ-UHFFFAOYSA-N 397.406 2.552 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 30756513 BFLPYNOGMGLTPA-UHFFFAOYSA-N 398.488 2.872 0 40 GFAB C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 31494202 MIWIHXOKLZAMSO-NSHDSACASA-N 378.331 2.530 0 40 GFAB Cc1cccc(N(Cc2ccccc2)C(=O)COC(=O)c2nccnc2N)c1 32671814 SRAQFYXPIZVOAQ-UHFFFAOYSA-N 376.416 2.757 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 32863299 KKGRXJPBPSRVAG-FXAWDEMLSA-N 375.513 2.980 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCN(Cc2nnc3n2CCCCC3)CC1 32871436 FUUDPNNLYAYRLR-UHFFFAOYSA-N 396.520 2.572 0 40 GFAB C[C@H]1CCCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 32901818 KCDPHGHDCTZFDD-LBPRGKRZSA-N 378.270 2.950 0 40 GFAB Cc1ccccc1-n1nnnc1C1(N2CCNCC2)C2CC3CC(C2)CC1C3 35170746 ZXMZSTZZHAYLJD-UHFFFAOYSA-N 378.524 2.527 0 40 GFAB COc1ccc(Cn2nnnc2CN2CCN(c3cccc(Cl)c3)CC2)cc1 35290642 WWLMIWKHADSORU-UHFFFAOYSA-N 398.898 2.706 0 40 GFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)no1 36406089 HMPLSSJYBDSOPM-UHFFFAOYSA-N 397.262 2.686 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1 36408804 WJAKSJFBGSGLSM-JKSUJKDBSA-N 394.475 2.709 0 40 GFAB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)n2ncnc2n1 36618913 JIOHRHXBZFDICB-UHFFFAOYSA-N 375.436 2.855 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)c1ccccc1 37193350 AUSLVXGGDMBGEW-PMACEKPBSA-N 378.476 2.640 0 40 GFAB CCN(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 39985922 BTWUXOWMBSPJEH-MRXNPFEDSA-N 392.496 2.974 0 40 GFAB O=C(NCc1cccc(OCc2ccccn2)c1)c1cccnc1-n1cncn1 40111864 QCTKJAQDMGHZGJ-UHFFFAOYSA-N 386.415 2.566 0 40 GFAB C[C@@H](NC(=O)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)c1ccccc1 41253868 DAQCADMZPXWZMA-OAHLLOKOSA-N 391.427 2.907 0 40 GFAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 47478714 QFPWWWDSUBILLD-QGZVFWFLSA-N 384.505 2.837 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCC([C@@H](O)c2ccccc2)CC1 48261126 GBSXQXVLPCAOAG-NQIIRXRSSA-N 382.460 2.982 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CC(c2nc(-c3ccccc3)no2)C1 49032100 GCLCMYJBLXLWLR-UHFFFAOYSA-N 377.372 2.803 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC[C@H]2CCCO2)c1 58168664 LMJHWILMALKNSM-DOTOQJQBSA-N 382.526 2.795 0 40 GFAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCCc1ccccc1 58501304 RTULKHPKYMPUCA-UHFFFAOYSA-N 387.288 2.631 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)nc(N)n1 72362977 PYWMHCBQTBIESW-OAHLLOKOSA-N 390.447 2.969 0 40 GFAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccccc1OCC(=O)O 95476798 JMFJETDIJPUBEL-HNNXBMFYSA-N 377.422 2.645 0 40 GFAB Cc1csc(=O)n1CCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 95972101 COIYBFDFDKUEBL-INIZCTEOSA-N 376.478 2.808 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 95999573 WZFWYVWDKGONTI-VIFPVBQESA-N 389.403 2.854 0 40 GFAB C/C(=C\C(=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1F 98055274 CSSZGROFGDAKIQ-ZRDIBKRKSA-N 377.393 2.505 0 40 GFAB O=C(NCc1ccco1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102077016 PMCXEGKYIKKDNM-YRYYUTHUSA-N 388.423 2.767 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccc(Cl)cc2s1 104169240 LBQLWQISRINJQR-WDQYXFPCSA-N 387.848 2.695 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 104873013 ZZFGPSUZTGCBPF-DWRORGKVSA-N 386.492 2.517 0 40 GFAB Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1N1CCCC1=O 113949681 WFAFSVPXCRGCHW-UHFFFAOYSA-N 399.516 2.633 0 40 GFAB C[C@@H](C(=O)NCCSC(C)(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957359 VMWCXLZNJZHESM-NSHDSACASA-N 394.509 2.767 0 40 GFAB O=C(Cn1cnc2ccccc21)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206838743 DQPRTRLPOBROEE-MRXNPFEDSA-N 389.415 2.712 0 40 GFAB CN(CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1 219285894 RVVWANLIANIAPF-UHFFFAOYSA-N 381.885 2.578 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C 222822971 LSFNDIHXGQQYTB-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB C[C@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841350 RHWZHWWGLQKBPC-MRXNPFEDSA-N 388.895 2.798 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 223832067 SLTNONKDQZMCQA-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NC(C)(C)Cc3ccccc3)ccc21 225685592 HUNFNKBVKWNQSA-UHFFFAOYSA-N 376.503 2.900 0 40 GFAB CCc1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 243193851 KBGCTFHYBOGIFA-UHFFFAOYSA-N 392.477 2.671 0 40 GFAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)ccc1CO 257212461 CDMIQLXWLWAFSW-OAHLLOKOSA-N 395.463 2.599 0 40 GFAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)CCCn2cccn2)C1 257271083 MWSZUIAVBVUBOK-QGZVFWFLSA-N 394.479 2.816 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@]12CCCO2 257284685 PDUKEHYXRBOHBE-WBVHZDCISA-N 383.286 2.658 0 40 GFAB Cc1ccc(-c2coc3cc(OCC(=O)O)cc(OCC(=O)O)c3c2=O)cc1 263583515 FZVNNPPELWYWJY-UHFFFAOYSA-N 384.340 2.695 0 40 GFAB COC(=O)c1cc(NC(=O)COc2ccc(C=O)cc2OC)ccc1Cl 408599023 CKXKQQGZNITMEI-UHFFFAOYSA-N 377.780 2.965 0 40 GFAB C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 562439662 BAADZSYXXSMJAC-DOTOQJQBSA-N 379.464 2.619 0 40 GFAB O=C(O)c1coc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 569371169 VMIITNUWZAFEGP-UHFFFAOYSA-N 390.749 2.762 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c1 575610307 HVWHFIGGWYDDCW-SFHVURJKSA-N 396.472 2.783 0 40 GFAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@@H](c2nc[nH]n2)C1 584169328 PSNBLPROAIDPST-SECBINFHSA-N 393.238 2.714 0 40 GFAB Cc1cccn2cc(COc3ccc(C(=O)N4CC[C@](F)(CO)C4)cc3)nc12 585080587 BZBCWLAVRIJXOC-OAQYLSRUSA-N 383.423 2.768 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 585291572 ADVUXKRPXQONGZ-SQRWCISFSA-N 392.488 3.491 0 40 GFAB CC(=O)N1CC(OCC(=O)Nc2ccc(F)cc2Nc2ccccc2F)C1 644427500 YNODLDXPMXFYLP-UHFFFAOYSA-N 375.375 2.894 0 40 GFAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C(=O)O)c1ccccc1Br 659192500 XFBORANVPNKHLS-RFAUZJTJSA-N 394.269 2.845 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@H]21 1565554528 UNMWHKABKGHRJC-CGTJXYLNSA-N 387.867 2.966 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCCN(C)CCO)c3cnn(C(C)C)c3n2)cc1 1651926321 KSWSINJVBVJPIV-UHFFFAOYSA-N 395.507 2.642 0 40 GFAB Cc1nc(C(F)F)cc(N2CCN(c3ncc(Br)cn3)CC2)n1 1888843273 UNGRGDCKLXXBRH-UHFFFAOYSA-N 385.216 2.602 0 40 GFAB C[C@H](C(=O)NCCc1cccs1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 22806890 UQBIUEPLXGXCEO-QGZVFWFLSA-N 399.560 2.548 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nnc2n1CCCCC2 47671912 IEKFLNAQIQJRAL-OAHLLOKOSA-N 383.452 2.780 0 40 GFAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 42249497 DPANYSFCJJWKHS-OXQOHEQNSA-N 383.467 2.976 0 40 GFAB COc1ccc(CNC(=O)CSc2nnc(NC(=O)C3CCC3)s2)cc1 1371490 CIVGFVTZUHKSIS-UHFFFAOYSA-N 392.506 2.694 0 40 GFAB C[C@@H]1C(=O)[C@@]23[C@H]4C[C@@H]5C(C)(C)CC[C@@H](O)[C@@]5(C)[C@H]2[C@@H](O)C[C@@H]1[C@H]3OC(C)(C)O4 4268167 MDODVBXGWQIKBY-WMDRQVMDSA-N 392.536 2.916 0 40 GFAB Cc1noc(C2CCN(CC(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)n1 54677914 TZRMUMUFWNGXAK-UHFFFAOYSA-N 399.495 2.582 0 40 GFAB COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 6288097 FRWRZMUARJAUJO-UHFFFAOYSA-N 384.505 2.574 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 57478291 JXKBFNAIPVEPOR-FQEVSTJZSA-N 395.459 2.608 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 24833696 FJMQEADVBKSWHI-VIFPVBQESA-N 382.816 2.552 0 40 GFAB COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C(C)=O)cc1 8416905 HCIPTIBHQOVRFS-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB C[C@@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccc(-n2ccnc2)cc1 12550672 RSUXPOYYSJJJRQ-CYBMUJFWSA-N 383.839 2.528 0 40 GFAB Cc1cccc(CSCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 43964543 NVSNQAPSTGTZFR-INIZCTEOSA-N 393.534 2.731 0 40 GFAB Cc1nc2c(C(=O)O)nc(-c3cccs3)cc2n1[C@H]1CCS(=O)(=O)C1 35682606 NTPADBXLVCKHRI-JTQLQIEISA-N 377.447 2.526 0 40 GFAB COc1ccc(CNC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 3271922 UOONASQIVIRWPG-UHFFFAOYSA-N 392.249 2.860 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 57764041 MLHCXVHNUKKRQI-UHFFFAOYSA-N 376.453 2.582 0 40 GFAB C[C@@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 58052868 WTYYLHSCJIJQEG-CHWSQXEVSA-N 375.498 2.992 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 12606785 NETHIVBQPZSDFK-UHFFFAOYSA-N 390.487 2.567 0 40 GFAB C[C@H]1C[C@H]1c1ccc(CN(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1 10229161 IIRXKGHGNKOTBS-SUMWQHHRSA-N 376.478 2.877 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)c1C 12746308 ZUSMQUBXCWUPEH-CQSZACIVSA-N 384.307 2.580 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F)C(C)C 36579936 AZTZYKWVSLFEMM-NVXWUHKLSA-N 392.406 2.543 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 45575026 GGRKXWPAOXSYTP-INIZCTEOSA-N 393.487 2.983 0 40 GFAB C[C@@H](C(=O)Nc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11718380 BSTBDOBKJFDJTF-AWEZNQCLSA-N 393.534 2.518 0 40 GFAB Cc1ccc(-c2nc(CN3CCc4cc(S(N)(=O)=O)ccc43)cs2)o1 29710219 LLVVYIQDFOSTLB-UHFFFAOYSA-N 375.475 2.922 0 40 GFAB CC(C)[C@@H](CO)NC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1 12296752 XHWFROPJFFLQLR-LJQANCHMSA-N 381.428 2.972 0 40 GFAB biogenic CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 12820067 AJCDAHPXDUTCJF-VIFPVBQESA-N 395.282 2.855 0 40 GFAB O=C(NCc1ccccn1)[C@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O 9096552 ZHSFWMNEVQYMAZ-SFHVURJKSA-N 381.819 2.637 0 40 GFAB CC(C)N1C(=O)C[C@H](Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1=O 72312273 KHRWGYDFTNJBEY-NSHDSACASA-N 379.342 2.505 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 6240799 UPDWVTPFWHVYTN-OAHLLOKOSA-N 381.480 2.875 0 40 GFAB Cc1ccc(-c2n[nH]c(SCC(=O)NC(=O)NCc3ccccc3)n2)cc1 5210841 VLMLUAYATRSVPF-UHFFFAOYSA-N 381.461 2.898 0 40 GFAB O=C(c1ccco1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 5529566 NPRBHBQSSNCOBK-CQSZACIVSA-N 398.278 2.872 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 6810348 VCGJNCHGEYQXAC-QGZVFWFLSA-N 391.489 2.800 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 15361520 CJDAOAHAEGGUSC-UHFFFAOYSA-N 380.448 2.566 0 40 GFAB Cn1ccnc1SCCNC(=O)c1ccc(Cn2nnc3ccccc32)cc1 9548954 QHJQVMDDVWZQHX-UHFFFAOYSA-N 392.488 2.735 0 40 GFAB CC[C@H](C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996204 PXLDTHBYLYOQJL-AWEZNQCLSA-N 385.464 2.585 0 40 GFAB Cc1ccc(Cc2nn3c(=O)/c(=C\C=C\c4ccccc4)sc3nc2=O)cc1 16734767 HGBROVIKKBPQPS-CXUPVGNPSA-N 387.464 2.623 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)Nc1nccs1 9818189 PWGJQHRHOLRQTN-UHFFFAOYSA-N 398.466 2.721 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8749849 MFFWYXPEAOTSBZ-UHFFFAOYSA-N 394.349 2.613 0 40 GFAB COCCOc1cc(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)ccn1 95464628 XQJILCFBLZHFHE-SFHVURJKSA-N 388.468 2.540 0 40 GFAB C[C@]1(CCCO)CCCN1S(=O)(=O)c1ccc(F)cc1Br 95454481 XLXXDYJEDQIRQC-CQSZACIVSA-N 380.279 2.904 0 40 GFAB CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1 95400318 CSCZHCQJZDZGOB-AWEZNQCLSA-N 391.497 2.973 0 40 GFAB Cc1nscc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 95458610 WDZOFZFWUYRMCW-UHFFFAOYSA-N 378.885 2.501 0 40 GFAB O=C(Nc1cccc(SC(F)F)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 95946612 QDRQYUDDHBWDGG-ZDUSSCGKSA-N 396.419 2.954 0 40 GFAB O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 89768408 IHLQIPODDSQHET-UHFFFAOYSA-N 381.263 2.645 0 40 GFAB Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cccc(Nc3cnccn3)c2)CC1 89756801 YDNLBJXRMWCEFK-IBGZPJMESA-N 392.463 2.540 0 40 GFAB CC(C)(C)c1ncc(C(=O)N2C[C@@H](CN3CCOCC3)c3ccccc32)cn1 36741168 ZORFSMOOSBFPRL-QGZVFWFLSA-N 380.492 2.850 0 40 GFAB COc1cccc(-c2cccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 72349288 QOKXEQNEYOGTPC-MRXNPFEDSA-N 375.494 2.743 0 40 GFAB NC(=O)c1c(NC(=O)N2CCN(CCc3ccccc3)CC2)sc2c1CCC2 61966171 ZQQPIZJCWMNBPY-UHFFFAOYSA-N 398.532 2.728 0 40 GFAB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(-c2ccccc2)cc1 408996989 CIMLBDVAGVVAFU-SFHVURJKSA-N 383.448 2.918 0 40 GFAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCC(C)CC1 409378572 QGNCRVFQAUSYAL-UHFFFAOYSA-N 382.526 2.567 0 40 GFAB O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 78654532 GECVRRIBCCNEPS-UYAOXDASSA-N 385.485 2.652 0 40 GFAB CCN1c2ncccc2C(=O)NC12CCN(Cc1cc(OC)cc(OC)c1)CC2 36735045 XTVMXYLTITYTGN-UHFFFAOYSA-N 396.491 2.661 0 40 GFAB COCc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OC 224402934 QGRPXKRPLIJUFO-UHFFFAOYSA-N 389.404 2.898 0 40 GFAB CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 48990302 HLBYXSGZUTUTPO-UHFFFAOYSA-N 388.493 2.641 0 40 GFAB COCc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 224007063 NSMPZWGPEODVJE-CYBMUJFWSA-N 380.441 2.765 0 40 GFAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 224114243 YMDJTXJYTSNFPR-UHFFFAOYSA-N 392.502 2.574 0 40 GFAB CC[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 224882229 VVAXEMOYALXCSM-GOSISDBHSA-N 378.469 2.855 0 40 GFAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 96053149 OVXQUXIPPWRNQT-SFHVURJKSA-N 382.508 2.799 0 40 GFAB Cn1ccc2cc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc21 96222649 DRMPJRLARNSZAE-KRWDZBQOSA-N 376.416 2.628 0 40 GFAB biogenic CNc1nc([C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1CN(C)CC2 257278296 OBRMQZARIBZQBH-GOSISDBHSA-N 393.535 2.682 0 40 GFAB COCCN1CCC[C@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 257331153 XRPQAISIBXEUIT-IBGZPJMESA-N 376.526 2.580 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)ccn1 257305125 SONOHNYLGJTJIC-AWEZNQCLSA-N 381.411 2.588 0 40 GFAB Cn1cncc1-c1cncc([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257240969 HVZSGRGQYCWMSC-HNNXBMFYSA-N 387.447 2.773 0 40 GFAB CCCN1C(=O)N[C@H](CCC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)C1=O 257366824 LEZIJDXGOFLXMB-UNNPPQAFSA-N 383.492 2.796 0 40 GFAB CCN1CCN(Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257239533 HPTLAQWRIZGLDG-HXUWFJFHSA-N 389.503 2.995 0 40 GFAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)Cn3ccnc3)C2)o1 257237850 HIMKFEZGSUCFGC-QGZVFWFLSA-N 380.448 2.877 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)c1F 253472130 JSBLCFOJFSDCLV-YVARQFDVSA-N 385.395 2.600 0 40 GFAB Cc1cnc2nc(C(=O)N3CC[C@H](c4cccc(Br)c4)C3)nn2c1 615844838 ZKDXAAKZUVFFCB-ZDUSSCGKSA-N 386.253 2.825 0 40 GFAB CC(=O)N1CC(OCC(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)C1 644341875 DPRALDQGZHLNIE-UHFFFAOYSA-N 382.395 2.555 0 40 GFAB CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)[C@H](C(=O)O)C(C)(C)C)cc2)C1 663108548 SUYIRYZLWUHBGE-DLBZAZTESA-N 389.496 2.538 0 40 GFAB CO[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1C 96105163 UJKLVFBLOVZSKU-IBGZPJMESA-N 395.459 2.564 0 40 GFAB COc1cccc2cc(C(=O)NCC3(N4CCOCC4)CCSCC3)oc12 1776008548 KXOPVEXBTJSQSW-UHFFFAOYSA-N 390.505 2.769 0 40 GFAB CN(C(=O)Cc1ccc(NCC(=O)NCC(F)(F)F)cc1)c1ccccc1 55882361 TZLAPYAAZYTUIY-UHFFFAOYSA-N 379.382 2.983 0 40 GFAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1 1615189815 XTKVIUMTZPILOH-FPOVZHCZSA-N 397.943 2.910 0 40 GFAB O=S(=O)(O)c1cccc(Nc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)c1 5161796 LSDXXYNYKPLONE-UHFFFAOYSA-N 395.414 2.782 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1OC 14229544 CYHMOGVLMVYEGD-UHFFFAOYSA-N 391.424 2.889 0 40 GFAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC 15638317 MROCBNBNCAXUGT-INIZCTEOSA-N 398.459 2.794 0 40 GFAB Cc1cc2nc(COC(=O)c3ccccc3NC(=O)C(C)(C)C)cc(=O)n2o1 15772317 DUCRCVGSUFOVSN-UHFFFAOYSA-N 383.404 2.938 0 40 GFAB COCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755647 GSKBKAZJSPRJIQ-QGZVFWFLSA-N 398.463 2.746 0 40 GFAB CC(C)N1C[C@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1=O 12087822 XMVDTQDAJYLOSB-QGZVFWFLSA-N 380.492 2.780 0 40 GFAB COc1ccc([C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2c2cc(O)nc(C)n2)cc1OC 12163373 XLLHJVCZCCVWNR-RYQLBKOJSA-N 399.491 2.727 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC(=O)NCc1cccc(CN2CCCC2)c1 19715241 HSCFPABAWNTAIN-UHFFFAOYSA-N 390.487 2.617 0 40 GFAB C[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H]([C@@H](C)C(=O)O)O2)O1 253387548 VIHRKOVEWCGJQP-YIJBAXCGSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro CN(C)[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl 17909297 DBKDLUNWLVQTOI-GOSISDBHSA-N 384.867 2.538 0 40 GFAB O=C(c1cc(Br)ccc1O)N1CCN(C(=O)N2CCCCC2)CC1 24501697 LQKWMUWTJXRZNF-UHFFFAOYSA-N 396.285 2.518 0 40 GFAB COc1cccc2sc(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)nc12 2087150040 IOPHPQFUSAVGEO-UHFFFAOYSA-N 381.523 2.698 0 40 GFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 2720183 BUQHVFKKCFXOMD-GFCCVEGCSA-N 390.465 2.762 0 40 GFAB O=C(Nc1nnc(-c2ccncc2)o1)c1ccccc1I 4265081 QUWZNVPMXZZSPT-UHFFFAOYSA-N 392.156 2.989 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCc1ccccc1 4328084 KHPJNBQKCYQLET-UHFFFAOYSA-N 376.445 2.595 0 40 GFAB COc1cccc(N2C[C@H](NC(=O)c3cccc(Br)c3)CC2=O)c1 5194852 HQMUDALHTVNFCD-CQSZACIVSA-N 389.249 2.993 0 40 GFAB O=C(NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1ccc2c(c1)OCO2 9066836 FJRFIPYPXSYVNZ-CQSZACIVSA-N 385.395 2.725 0 40 GFAB COc1ccccc1OCCN1CCN(CCOc2ccccc2OC)CC1 19848675 VTQSTVYLYBKECZ-UHFFFAOYSA-N 386.492 2.779 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1cn(C)c2ccccc12 21698238 JVEQLLFTRYKUOY-OAQYLSRUSA-N 396.535 2.904 0 40 GFAB CC(C)n1cnc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)c1 1775967350 NMBWGKQWYZOYEH-LBPRGKRZSA-N 381.479 2.797 0 40 GFAB Cc1ccc2c(Nc3ccc4c(c3)OCO4)c(C(=O)N3CCOCC3)cnc2n1 49004843 YMFXOKPZFNPLKV-UHFFFAOYSA-N 392.415 2.883 0 40 GFAB Cn1cc(-c2ccc(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cn2)cn1 575617368 VVRPKFMEUULUMR-UHFFFAOYSA-N 396.394 2.979 0 40 GFAB COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c(O)nc2ccccn2c1=O 96117548 NRRUORWZMJWNTI-LLVKDONJSA-N 376.771 2.888 0 40 GFAB NC(=O)Nc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 40040101 VWXYRWVTNXAVAQ-UHFFFAOYSA-N 393.422 2.921 0 40 GFAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)NC2CCCC2)C1=O 40116669 SLJMSXMBISGMBF-KRWDZBQOSA-N 383.370 2.531 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccn(-c2ccccc2F)n1 40150154 NKFRNGJJPMFGRC-SFHVURJKSA-N 384.411 2.675 0 40 GFAB CONC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 30867259 JHJFFWJULJKLAX-UYAOXDASSA-N 384.432 2.866 0 40 GFAB C[C@H](OCc1ccccc1)C(=O)NCCN1CCN(Cc2ccccc2)CC1 32064917 FYVASHMSQABZNI-FQEVSTJZSA-N 381.520 2.526 0 40 GFAB S=C(NCCN1CCOCC1)NNc1c(Cl)cc(Cl)cc1Cl 21486372 KQDOVRXBJRDNDD-UHFFFAOYSA-N 383.732 2.770 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 33026949 VRPMPPGIKSVWBS-UHFFFAOYSA-N 379.504 2.896 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n2)cc1 797040 BCDGHHDEMUTUEC-UHFFFAOYSA-N 390.447 2.523 0 40 GFAB O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1S(=O)(=O)c1ccccc1 1564995 WMIAQXWVZFAYQL-UHFFFAOYSA-N 392.436 2.871 0 40 GFAB CCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1 2323908 QRLASTWFCKZGGA-UHFFFAOYSA-N 382.493 2.993 0 40 GFAB Clc1nc(Cl)nc(OCCCCOc2nc(Cl)nc(Cl)n2)n1 3079832 QBIJWOPPXAAEGP-UHFFFAOYSA-N 386.026 2.908 0 40 GFAB COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1 4164974 SOFQFCVBIJQHNJ-UHFFFAOYSA-N 395.444 2.801 0 40 GFAB COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 4699919 KCQCKRSPFBVRET-QGZVFWFLSA-N 385.395 2.638 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 4888742 JSZUHUOUKXJILF-UHFFFAOYSA-N 388.489 2.587 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 5135121 LQIKVCWGHNNOBZ-UHFFFAOYSA-N 390.461 2.644 0 40 GFAB Cc1ccccc1-c1noc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1 5342656 MITONMRGTFHCQF-OAQYLSRUSA-N 390.399 2.775 0 40 GFAB COCCNC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 5346165 GOXVFRRPODHYKK-UHFFFAOYSA-N 381.428 2.834 0 40 GFAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(Cl)cc1Cl 5498534 XJEATEYAFWTPGJ-UHFFFAOYSA-N 387.288 2.988 0 40 GFAB COc1cc(OC)cc(C(=O)Oc2ccccc2C(=S)N2CCOCC2)c1 5743543 PHZPHJIDDQQTNA-UHFFFAOYSA-N 387.457 2.931 0 40 GFAB Cc1ccc(OCCNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c(C)c1 7436441 NJBKASBMCAOTRZ-UHFFFAOYSA-N 377.444 2.967 0 40 GFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 8059174 SEVACLVGSIBVDN-LBPRGKRZSA-N 381.450 2.761 0 40 GFAB COc1cc2ncn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2cc1OC 8267636 YMLABGJFSRZZES-UHFFFAOYSA-N 381.432 2.978 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1(C(=O)O)CCCCC1 8745644 BKINZPMALHEMLU-UHFFFAOYSA-N 379.409 2.854 0 40 GFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cccc(F)c1 8940438 SNJINPSKMPPDLB-UHFFFAOYSA-N 388.472 2.939 0 40 GFAB CC(C)OCCCNC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 9434966 ZHCLSRSSWVBFQH-SFHVURJKSA-N 390.867 2.857 0 40 GFAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9690465 OQCSBJBTHXKHCS-VIFPVBQESA-N 394.522 2.578 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1Cl 9974623 OZDWHKQRCFPYOY-CYBMUJFWSA-N 388.917 2.522 0 40 GFAB COC[C@H](C)NC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226631 QUNVUSMRSSXXIU-WMLDXEAASA-N 378.444 2.657 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12735924 MNMHMCOWLPOHFF-INIZCTEOSA-N 391.475 2.622 0 40 GFAB CCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OCC 13618992 XFUZHPNSHYWQOC-BOPFTXTBSA-N 394.456 2.558 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 13649844 ISGDHWGVXHCHOG-HNNXBMFYSA-N 388.489 2.829 0 40 GFAB CCOC(=O)C1=C(C)N(CCCN(C)C)C(=S)N[C@@H]1c1ccc(F)cc1 14876394 ZHFZRBJUPPOXOE-QGZVFWFLSA-N 379.501 2.846 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14909800 LZRKMNZLWSBWEH-FUHWJXTLSA-N 394.471 2.948 0 40 GFAB O=C1CCSc2ccc(S(=O)(=O)N3CCOc4ccccc43)cc2N1 15732054 YEOTZRYHLJHLQJ-UHFFFAOYSA-N 376.459 2.709 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1C 15866643 VYIQLLBIHGMIQI-CHWSQXEVSA-N 375.494 2.720 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C 16362932 IBTCOFXVDPNJGB-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB Cc1cc(C)cc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1 16740627 UVFWGEYPTNBTRV-INIZCTEOSA-N 377.487 2.809 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1cccc2nsnc12 19077128 VIAGGKWIEYCXCN-UHFFFAOYSA-N 399.476 2.599 0 40 GFAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19079475 DQXAMRSTBXIHEN-HNNXBMFYSA-N 398.482 2.777 0 40 GFAB O=C(CCn1cnc2ccccc21)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19376698 OSVSBAQWOMZGFK-IBGZPJMESA-N 390.491 2.616 0 40 GFAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccc4nccnc24)C3)C1 19496601 UTKPHQWKMYNEHC-HNNXBMFYSA-N 390.491 2.508 0 40 GFAB Cc1ncsc1C(=O)NC1CCN(Cc2cc(-c3ccccn3)nn2C)CC1 19562271 POQPMMJLXPBKKP-UHFFFAOYSA-N 396.520 2.641 0 40 GFAB COCC(=O)N1CCN(C)C(=O)[C@H](Cc2ccccc2-c2cccc(F)c2)C1 19589586 UYYYPADBPRAWQI-GOSISDBHSA-N 384.451 2.598 0 40 GFAB COC(=O)C1=C(C(=O)OC)N2C(=O)c3ccccc3[C@@H]1N2c1ccccc1C 19872832 JFSHXFMGVBGMRO-KRWDZBQOSA-N 378.384 2.527 0 40 GFAB Cc1cc(Br)c(NC(=O)CN2CCOCC2)c(Br)c1 19879916 MJUYXWZORICQDC-UHFFFAOYSA-N 392.091 2.791 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccc(F)cc1 19930806 KIIOFLINYXNVPG-UHFFFAOYSA-N 376.453 2.515 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 20553697 BFKMAYCAWMVLEG-QGZVFWFLSA-N 377.487 2.809 0 40 GFAB COc1ccc(S(=O)(=O)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 23126289 NTRIOVFJXVANLS-UHFFFAOYSA-N 390.417 2.736 0 40 GFAB COc1ccc(-c2noc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)n2)cc1 23882402 GBKOLPQYOCKYJV-NRFANRHFSA-N 390.399 2.639 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)NCc1ccccc1Cn1cccn1 24625265 VBKXHUOERKYREB-UHFFFAOYSA-N 376.460 2.676 0 40 GFAB Cc1nc(-c2ccc(OS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)no1 25875198 AFRLEUQBYOKUKI-UHFFFAOYSA-N 388.401 2.974 0 40 GFAB Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCC(C)C)CC3)cccc2c1 26562506 WNDYSHALNLOEDX-UHFFFAOYSA-N 389.521 2.716 0 40 GFAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1C 30865780 DKWOEJYVUCXBNF-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB Cc1cc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)ccc1Br 32796071 GLUNTJGKVBYIGS-VIFPVBQESA-N 379.176 2.789 0 40 GFAB COc1cc(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1O 33586576 FMBHJPNDBJYZKF-NTUHNPAUSA-N 396.852 2.713 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2c(C)noc2C)CC1 34895971 BWGRDTGARUHLCB-UHFFFAOYSA-N 398.507 2.624 0 40 GFAB CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3)o2)cc1 36659357 IQYCRLJRJYHIMU-FMIVXFBMSA-N 383.429 2.716 0 40 GFAB CCOc1ccccc1CCC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 40059627 OYASHIGZSNBZQK-INIZCTEOSA-N 391.493 2.521 0 40 GFAB COc1ccc(CNC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1 44443773 KSAPNSTZTJEOOV-UHFFFAOYSA-N 379.464 2.614 0 40 GFAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1ccc2c(c1)OCO2 45942815 PQAMQJALICGBQS-UHFFFAOYSA-N 379.397 2.979 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(F)c1 48324896 WWSGNKKAIRNRBM-HNAYVOBHSA-N 384.455 2.556 0 40 GFAB COC(=O)c1ccc(NC(=O)CN2CCC(c3nnc(C(C)C)o3)CC2)cc1 49377174 DGIISOWFXSOACQ-UHFFFAOYSA-N 386.452 2.798 0 40 GFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1 50029095 GAPCBSALZKLINQ-CQSZACIVSA-N 378.432 2.923 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 50447451 MUXGEVPFJIDIPJ-CQSZACIVSA-N 386.883 2.965 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1Cl 55558215 MJLHLFXWWUYGFL-UHFFFAOYSA-N 382.869 2.828 0 40 GFAB CC(C)c1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)cc1 56997497 MHYVSZLCRALWGT-UHFFFAOYSA-N 387.549 2.911 0 40 GFAB CCN(CC)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)cn1 58174596 XCHJQQBOVDIQRK-IBGZPJMESA-N 395.507 2.939 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N(Cc2ccco2)C2CC2)C1 58310311 APNXGHRCUZFZEU-LJQANCHMSA-N 381.432 2.969 0 40 GFAB COCCNC(=O)COc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 64579696 LCAQXXLNAWIXOU-UHFFFAOYSA-N 383.404 2.554 0 40 GFAB Cc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)nnn1-c1cccc2ncccc12 66839218 OVDCYNKXPNJGKU-QGZVFWFLSA-N 390.491 2.824 0 40 GFAB COc1ccc(C(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OC 67206225 GUBBWLNRXPLMMR-UHFFFAOYSA-N 382.460 2.911 0 40 GFAB N#C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cnn(-c2ccccc2)c1 68399589 JBUQILMZSGNSNB-IBGZPJMESA-N 388.431 2.765 0 40 GFAB CCCc1nn([C@@H](C)C(=O)NCc2ccncc2)c(=O)c2cc3ccsc3n12 72335274 QEFAYJVIKUKLDN-ZDUSSCGKSA-N 395.488 2.936 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3cccnc3)C2)cc1 72345964 REKAIGNFKCWGGJ-SFHVURJKSA-N 388.475 2.599 0 40 GFAB Cn1cc(S(=O)(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)cn1 72363237 RWXILERQUFXICJ-HNNXBMFYSA-N 399.476 2.571 0 40 GFAB CSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393177 LEIGAEDZWDWUEE-MRXNPFEDSA-N 394.504 2.723 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@]1(O)CCc2ccccc2C1 90611517 DOFGFPACWGBGCU-QFIPXVFZSA-N 379.435 2.876 0 40 GFAB O=S(=O)(Cc1ccccc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 95399845 VCRDHRYXOGNOLA-OAQYLSRUSA-N 388.533 2.552 0 40 GFAB COc1ccc(CC(=O)Nc2cc(C(=O)O)cc(OC)c2OC)cc1OC 95424835 ZYKJUZIKLBYZDM-UHFFFAOYSA-N 375.377 2.600 0 40 GFAB CC(=O)CCN(C)C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 95451281 XKEOHSPYUVWDPM-UHFFFAOYSA-N 381.354 2.611 0 40 GFAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCC1CCOCC1 95476817 QCKWWDKBZFCROF-UHFFFAOYSA-N 377.444 2.606 0 40 GFAB Cc1cc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)nn1-c1ccccc1 95953289 YIPRUQMYIAURPH-UHFFFAOYSA-N 383.473 2.655 0 40 GFAB C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 95962758 NEJGBIQYQQGYPU-NWDGAFQWSA-N 380.416 2.591 0 40 GFAB CC(C)NC(=O)N1CCc2cc(C(=O)NCC3CC3)c(NCC3CC3)nc2CC1 96260611 KXIOWKVVZVHYMM-UHFFFAOYSA-N 399.539 2.562 0 40 GFAB NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 96305641 FUKZBHOABIIWQM-INIZCTEOSA-N 394.338 2.855 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccccc1C 96520164 FOHWZHMJANCQRF-MNOVXSKESA-N 388.654 2.791 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(C)[C@@H](C)c2cnc3ccnn3c2C)c1 97165411 BKLJQBBRJJXQOL-ZDUSSCGKSA-N 380.452 2.628 0 40 GFAB Cc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100767681 IYECSNOPLWSURQ-GASCZTMLSA-N 387.432 2.796 0 40 GFAB COC(=O)[C@@]1(Cc2ccccc2F)NC(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100775263 VWGFVKDUEFPTQV-XQFWAAQXSA-N 396.462 2.833 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 101590488 QAGUXRWQZDNBFH-VGWMRTNUSA-N 392.242 2.905 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 103103269 HJQOTVUSESHSGJ-HOTGVXAUSA-N 380.448 2.603 0 40 GFAB CCOc1cc(CN[C@H]2C[C@@H]2C)cc(Br)c1OCC(=O)N(C)C 105437934 ZTPWPRKJFHXGFA-FZMZJTMJSA-N 385.302 2.813 0 40 GFAB C[C@@H]1CN(C[C@@H](O)CSc2nnc3sc4ccccc4n23)C[C@@H](C)O1 106141281 FXEHGUDJECJREL-JHJVBQTASA-N 378.523 2.506 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@H](N(CC)CC)C2)c1 106920725 LGKGMYWJUMNVGA-XLIONFOSSA-N 388.556 2.912 0 40 GFAB CN(Cc1csc2ccccc12)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108456258 ZCNZLZPVCQVYDI-MBZVMHRFSA-N 380.469 2.667 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccco1)c1ccccc1F 113964977 WSKOWAWVTPAHAQ-UHFFFAOYSA-N 382.457 2.714 0 40 GFAB Cc1ccsc1[C@H](O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 206698664 XSOGDRCMFJJOSB-LLVKDONJSA-N 375.418 2.516 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC 223638700 MBQUVUSNPXBKCP-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1CN1CCCC1 224801314 QXMAXPSIEKWKJG-UHFFFAOYSA-N 378.469 2.909 0 40 GFAB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc2c(c1)OCCO2 224826681 SQSZVUXVBMPAHM-UHFFFAOYSA-N 391.445 2.850 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1C 225691913 PKOWONLCLGZGRU-UHFFFAOYSA-N 379.463 2.902 0 40 GFAB COc1ccc([C@@H](CC(=O)N2c3ccccc3C[C@H]2C)NS(C)(=O)=O)cc1 225953074 DQVQQJUSXICAHR-RDTXWAMCSA-N 388.489 2.653 0 40 GFAB CCc1ccccc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O 243290590 LDBQFVZTTWNFEN-UHFFFAOYSA-N 389.477 2.612 0 40 GFAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 245263601 AYSZCDSNTXBHKG-PSTGCABASA-N 389.418 2.677 0 40 GFAB O=C(CN1CCN(c2ccccc2)C1=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 252551038 TVQPWTOVIHTZDF-UAPYVXQJSA-N 394.475 2.830 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1cccc(Cl)c1 257302699 SDYMFDPRFXCHIO-MJGOQNOKSA-N 377.916 2.804 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390829782 GOYZUJJRUFYKNH-INIZCTEOSA-N 382.507 2.674 0 40 GFAB O=C1NCCCN(C(=O)Cc2nsc3ccccc23)[C@H]1Cc1ccccc1 520219858 LRMZBWPQYFHVRX-SFHVURJKSA-N 379.485 2.799 0 40 GFAB Cn1nccc1C1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 533266289 NJGDYGFHBABHII-UHFFFAOYSA-N 396.535 2.807 0 40 GFAB COc1ccc([C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C(=O)O)cc1Cl 569366932 QKYRKAPZHKLUGJ-QFYYESIMSA-N 377.828 2.683 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)NCc1cccs1)c1csc2ccccc12 575619437 FBUBCMWSGVPTHQ-INIZCTEOSA-N 387.530 2.998 0 40 GFAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)ccn1 584878584 KZOIFTNDNMELEW-OAHLLOKOSA-N 379.338 2.602 0 40 GFAB Cc1nc(CN2C[C@@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@H]3C2)cs1 585107580 HYFBRYJSSWIKEO-HUUCEWRRSA-N 377.460 2.863 0 40 GFAB O=C(NCCn1nc(C2CC2)cc1C1CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 585300111 KDEHHFNGRUGDLZ-INIZCTEOSA-N 396.466 2.946 0 40 GFAB O=C(CCc1ccccc1Br)NCC1CCN([C@H]2CCOC2)CC1 618255683 HNYPMYDZAKYYFE-KRWDZBQOSA-N 395.341 2.999 0 40 GFAB Cc1ccc(-n2nc(C(=O)NCC3(CC(=O)O)CCOCC3)c3c2CCC3)cc1 621594542 BOFVBXWCRXYAHC-UHFFFAOYSA-N 397.475 2.671 0 40 GFAB O=C(O)CN1CCCC[C@@H](N2CCC[C@@H](COc3ccccc3Cl)C2)C1=O 643876033 ISXCBILWZPHAPD-NVXWUHKLSA-N 394.899 2.897 0 40 GFAB Cn1c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)nnc1-c1ccccc1 649661091 MCYGDVCFCXFZJV-HXUWFJFHSA-N 387.487 2.688 0 40 GFAB CC1(C)OCC[C@H]1CNC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 664623593 IUCNNASBUDEYRB-GOEBONIOSA-N 387.459 2.513 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)cn1C 670855081 MPLSEZKEDOHEDY-UHFFFAOYSA-N 381.523 2.974 0 40 GFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)NC1CCN(c2ccccc2)CC1 679687355 OBAXFJDHMVWKNM-IBGZPJMESA-N 383.496 2.778 0 40 GFAB O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NCc1cccc2occc12 685938976 PHAADUBEORDPJW-UHFFFAOYSA-N 399.472 2.972 0 40 GFAB CCN1C(=O)[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN2C12CCOCC2 1772595392 SDRURENOQOKYTL-QGZVFWFLSA-N 397.441 2.560 0 40 GFAB c1ccc2c(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cccc2c1 2086889653 IFDWZBOSNAPQLK-UHFFFAOYSA-N 389.503 2.789 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 741523 DJVBHIMTCYHQQV-KRWDZBQOSA-N 378.450 2.608 0 40 GFAB CC(C)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 817575 JHJRYRUWIYZVPB-UHFFFAOYSA-N 390.461 2.943 0 40 GFAB CCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=C(c3cccs3)NN21 940766 WQSPSNYHBBJYCQ-MRXNPFEDSA-N 381.461 2.584 0 40 GFAB COC(=O)c1ccc(CSc2nnc(NC(=O)[C@@H]3CCCO3)s2)cc1 2656662 GJFKXYXDBUDLBZ-LBPRGKRZSA-N 379.463 2.735 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 2940417 JRFIUMMNTRYYHN-UHFFFAOYSA-N 390.480 2.647 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)/C(=C/c1ccccc1OC)c1ccccc1 3356478 QKVPEGCZAQWXEJ-INQVIGDZSA-N 382.416 2.623 0 40 GFAB Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 3646238 YBXMCJGOTMBBIX-UHFFFAOYSA-N 387.505 2.866 0 40 GFAB COc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(OC)cc2)cc1 5033883 MTHVVFUKBUMVSH-LBPRGKRZSA-N 385.449 2.799 0 40 GFAB CCOc1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1 5240550 WWPKXKFSIJYOQT-UHFFFAOYSA-N 387.417 2.791 0 40 GFAB CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 6138661 GLHRQUKSLVBDMV-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC(=O)NC1CCCCC1 6138970 OQOWHVABMZGYOR-LBPRGKRZSA-N 388.497 2.516 0 40 GFAB Cc1ccc(NC(=O)COc2cccc([C@H]3CC(=O)Nc4ncnn43)c2)cc1C 6301281 QQJVSGSBJHOIIV-GOSISDBHSA-N 391.431 2.844 0 40 GFAB O=C(O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sc3c(c21)CCCC3 6760298 SMFATZMGFYSGFK-UHFFFAOYSA-N 390.848 2.831 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)nc2sccn2c1=O 6859681 CTMYHCXFGJHSFQ-UHFFFAOYSA-N 385.854 2.527 0 40 GFAB CN(C)c1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1 6917004 JWJZRVQVOZBPON-UHFFFAOYSA-N 378.226 2.706 0 40 GFAB CCCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 6996630 BJEXLSOPMOXZIO-UHFFFAOYSA-N 388.902 2.751 0 40 GFAB Cc1ccc(-n2nnnc2S[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 7585989 PBMRHHCYBMGLOW-SFHVURJKSA-N 395.488 2.663 0 40 GFAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 7599934 HAPCOOPGOOUJHF-UHFFFAOYSA-N 392.452 2.874 0 40 GFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCc2ccccc21 7779829 QQOLOVUMFVIEOY-UHFFFAOYSA-N 384.501 2.993 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1C1CC1 7807300 CIHDXRSXWSOFDG-AWEZNQCLSA-N 394.427 2.850 0 40 GFAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 8165124 UJEMMQUJJGKTLH-VAWYXSNFSA-N 384.501 2.682 0 40 GFAB COc1ccc(Cn2nnnc2SCC(=O)N2CCCc3ccccc32)cc1 8724342 SCISLTJLSUEFAC-UHFFFAOYSA-N 395.488 2.802 0 40 GFAB CCOc1ccc(N2CCn3c2nn(Cc2cccc(Cl)c2)c(=O)c3=O)cc1 8849580 UTBSBKZJZJGGSY-UHFFFAOYSA-N 398.850 2.657 0 40 GFAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccc(Cl)cc1Cl 8990648 ZEKHMJYNGRJSFJ-HNNXBMFYSA-N 394.262 2.519 0 40 GFAB COc1ccc(Cn2nnnc2SCC(=O)N[C@H](C)c2cccs2)cc1 9836847 ONULTIHGTABBMR-GFCCVEGCSA-N 389.506 2.761 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10545477 NJLXNTZXQRZGBS-HNNXBMFYSA-N 383.473 2.986 0 40 GFAB Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NCC(C)(C)C)cc2)n1C 12372073 FFNUFFJCERYGHM-UHFFFAOYSA-N 379.526 2.932 0 40 GFAB CC(C)OC(=O)C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 12880047 SATWFBSUYUCMAU-INIZCTEOSA-N 399.472 2.657 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1ccco1)N1CCCCC1 12975088 STAYWVNJZLWXFO-QGZVFWFLSA-N 383.448 2.921 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 13427026 KBCJNDFCYGPYBL-GOSISDBHSA-N 382.416 2.768 0 40 GFAB O=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCCC1 14125765 RPINRLXLANTVAW-UHFFFAOYSA-N 395.906 2.820 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](CC)C(=O)Nc2cc(C)on2)c1C 14248352 LSEGPFOHWVJFFD-GFCCVEGCSA-N 377.397 2.679 0 40 GFAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Br)c1 15393154 AEUWVOIJADZDGA-LLVKDONJSA-N 388.225 2.831 0 40 GFAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 17104496 TYMSUOLYIVEKBU-SSDOTTSWSA-N 388.733 2.915 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(F)cc1F 17192080 ODNRNKBNMWYMAJ-UHFFFAOYSA-N 391.399 2.779 0 40 GFAB COc1ccc(CC(=O)N(C)Cc2nc(N(C)C)ncc2-c2ccncc2)cc1 19585364 ISHCHAMCGHVUGD-UHFFFAOYSA-N 391.475 2.814 0 40 GFAB COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc(OC)c1 19595146 XLNCKDPXAFISKF-PCCBWWKXSA-N 382.504 2.566 0 40 GFAB COc1ccc(CN2CN(c3ccc(Cl)cc3)C(=O)N(n3cnnc3)C2)cc1 19874608 YOADNZAOIYUEEI-UHFFFAOYSA-N 398.854 2.936 0 40 GFAB Cc1cccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22327207 XVMSOIRBTQWJIA-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc(F)cc1F 22959682 RNRVSJXGCOZLTG-UHFFFAOYSA-N 376.388 2.970 0 40 GFAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 23197442 KYCZMENWYDLUMP-SXEVQNNFSA-N 386.496 2.574 0 40 GFAB O=C(c1cncn1-c1ccccc1)N1CCN(CCOc2ccccc2)CC1 23641985 ZRJUMVUBVPDFMS-UHFFFAOYSA-N 376.460 2.709 0 40 GFAB Cc1ccc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1 24924348 CDDQXHFVDABWCS-QHCPKHFHSA-N 391.471 2.999 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 25285871 JAERAGDLGPXGCD-HXUWFJFHSA-N 386.517 2.758 0 40 GFAB COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1OC 32873555 OCDMKQDIQPJWEE-UHFFFAOYSA-N 388.449 2.533 0 40 GFAB CCc1ccccc1NC(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 35598125 WRPDYBXMAPQFEC-UHFFFAOYSA-N 391.479 2.887 0 40 GFAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 36775295 RMSWGCXHAWPBAK-MRVPVSSYSA-N 376.463 2.807 0 40 GFAB NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3COc4ccccc4C3)c2)CC1 40134775 MBCGLSVCQBLPMM-IBGZPJMESA-N 393.487 2.574 0 40 GFAB Cc1nn2c(nnc3c(=O)n([C@H](C)C(=O)O)ccc32)c1-c1ccc(Cl)cc1 40396000 KKINTPLSJSTQKX-SNVBAGLBSA-N 383.795 2.714 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)c1 44770420 XHTUYCYBAULJQP-CYBMUJFWSA-N 393.461 2.838 0 40 GFAB C[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2ccccc2c1 49581373 HDRCRIMPHSLLNJ-HNNXBMFYSA-N 386.455 2.886 0 40 GFAB CCCC(=O)NC[C@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 58304503 AQRYISJECXJZNL-CQSZACIVSA-N 390.509 2.886 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)n1 60180505 LRXVJEOHSAZHSF-UHFFFAOYSA-N 379.438 2.623 0 40 GFAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc[nH]c1=O 65523492 QOGGBNXSKDLANY-LBPRGKRZSA-N 383.351 2.835 0 40 GFAB CN(C)C(=O)COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1 69825949 YOCVLGCZVCJJJU-UHFFFAOYSA-N 382.395 2.731 0 40 GFAB O=C(CSc1ccc(F)cc1)NCC1CCN(C(=O)c2cccnc2)CC1 70926815 RIUGWPXEAFFPFS-UHFFFAOYSA-N 387.480 2.981 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCC1=CCCCC1 71279400 HLTNNWAUABCJMT-UHFFFAOYSA-N 388.487 2.664 0 40 GFAB CCN1CCN(c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)CC1 72283974 ISKCDVMFTVJBJS-UHFFFAOYSA-N 383.492 2.776 0 40 GFAB COC(=O)CC1CCN(C(=O)Cc2c(C)nc3c4ccccc4nn3c2C)CC1 79476563 RMQDKJKRUOFWLV-UHFFFAOYSA-N 394.475 2.844 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F 80338058 OPFZGMJQJWKGTC-CQSZACIVSA-N 388.418 2.824 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(C(N)=O)c[nH]c4c3)CC2=O)cc1 89632298 OIDHTXHVKRWICZ-OAHLLOKOSA-N 390.443 2.562 0 40 GFAB Cc1ccc(C(=O)NCCCC(=O)O)cc1NS(=O)(=O)c1ccc(F)cc1 95424147 NEGSAUCYVMWKSQ-UHFFFAOYSA-N 394.424 2.530 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1NCCc2cc3c(c(OC)c21)OCO3 95611598 ZPSPOYAHTOQXBP-DLBZAZTESA-N 399.399 2.540 0 40 GFAB COCc1cc(N[C@H](c2ccc(OC)cc2)C2CCOCC2)n2ncnc2n1 95982752 IGTPSSIECUBWLW-LJQANCHMSA-N 383.452 2.859 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96075133 YEMLPHMLRCBLSJ-HTAPYJJXSA-N 396.418 2.974 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)O1 96087284 YCLXFEIMLAIMQR-IBGZPJMESA-N 397.450 2.942 0 40 GFAB C[C@@H](CNC(=O)C1=NO[C@]2(CCN(Cc3nccs3)C2)C1)c1ccccc1 96225712 WMYCXZSQQJFMNJ-MGPUTAFESA-N 384.505 2.784 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(C)cc1 96520132 PDTBKXIDSMVRCQ-MNOVXSKESA-N 388.654 2.791 0 40 GFAB COc1ccccc1N(O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101029571 DPEIVCCRZOZFHN-AWEZNQCLSA-N 391.221 2.985 0 40 GFAB aggregator C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCc4ccc(F)cc4)cc1c32 101078819 OVIAFJUHAXVUJU-CYBMUJFWSA-N 395.434 2.519 0 40 GFAB O=C(O)c1cccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c1 101079562 IQQGEJLMKGAYTH-AWEZNQCLSA-N 389.205 2.891 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 102681523 VFAYVFVUCGRBEL-CEXWTWQISA-N 397.862 2.884 0 40 GFAB O=C1[C@H]2C(c3ccc(Br)cc3)=NO[C@H]2C(=O)N1C1CCCCC1 102894205 NOSACQOJUBBLDO-DZGCQCFKSA-N 377.238 2.870 0 40 GFAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 109047787 SUFUKTFASVRDSI-SVFBPWRDSA-N 385.552 2.704 0 40 GFAB COC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217613526 NGMNBJNCVPKLJQ-KGLIPLIRSA-N 392.477 2.871 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219498736 XFXAMCLGJJJCTI-ZDUSSCGKSA-N 375.421 2.805 0 40 GFAB COc1cccc(N([C@H](C)C(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)c1 220163634 CYWHHWAQICUHOU-CQSZACIVSA-N 392.477 2.805 0 40 GFAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 223290851 WITMOMNFRPSLGE-BJMVGYQFSA-N 380.853 2.909 0 40 GFAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1-c1cccnc1 223571023 VEURMRQAMZUOHI-RBUKOAKNSA-N 379.489 2.541 0 40 GFAB COC(=O)CSc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1 223985100 QDEZYMFQRRRWRU-UHFFFAOYSA-N 387.870 2.783 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2Cl)s1 225527197 UGJDZOBVRBGSQW-UHFFFAOYSA-N 381.266 2.994 0 40 GFAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCOCC2)cc1)C1CC1 225671928 DJYWSNFGPDGZFQ-OAQYLSRUSA-N 376.497 2.931 0 40 GFAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1ccc2c(c1)OCO2 253407925 WWXFLORTXLBPOV-UHFFFAOYSA-N 379.401 2.512 0 40 GFAB CCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 253596653 UNHQNJAZFOTXBR-VIRUWPMXSA-N 396.535 2.529 0 40 GFAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4cnccn4)C3)ccc2c1N 257253168 JXUZJNMJOGZHDE-IBGZPJMESA-N 382.493 2.586 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 260925562 VPEFHGBPGMRCOS-LZQZEXGQSA-N 386.521 2.681 0 40 GFAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(C(=O)c4ccoc4)C2)OC3)cc1 306134308 NIQVHHNJTFFUQT-NRFANRHFSA-N 379.416 2.967 0 40 GFAB COc1ccc2cc(C(=O)NCc3nnc4n3C[C@@H](C(F)(F)F)CC4)[nH]c2c1 390829607 FJACUKUKFDEHPQ-NSHDSACASA-N 393.369 2.823 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c1 408648589 ZLEVIWGFQABNRR-INIZCTEOSA-N 396.443 2.847 0 40 GFAB O=C(NCc1cccc(N2CCOCC2)n1)c1ccc2nc(C(F)F)[nH]c2c1 548173412 YSMHCYNOPHPXHB-UHFFFAOYSA-N 387.390 2.662 0 40 GFAB COc1ccc(C(=O)CN(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1OC 575420869 FFXFTWRXBORNLX-KRWDZBQOSA-N 389.473 2.580 0 40 GFAB O=S(=O)(c1ccccc1Br)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255743 XPQAOEIGOMAUKA-RYUDHWBXSA-N 397.298 2.597 0 40 GFAB CN(c1nc(-c2cccnc2)nc2sc3c(c12)CCC3)[C@H]1C[C@@H](C(N)=O)C1 624687841 IRILOJWKYBEDDU-BETUJISGSA-N 379.489 2.942 0 40 GFAB CCc1ccc(O[C@H](C)C(=O)N2CCN(Cc3cc4n(n3)CCCC4)CC2)cc1 649536991 PLURWKVKQMEVMZ-GOSISDBHSA-N 396.535 2.894 0 40 GFAB Cc1nnc([C@H]2CCCN(C(=O)NC3CCN(CCc4ccccc4)CC3)C2)o1 650626671 CQZMGVXBHFUIBU-IBGZPJMESA-N 397.523 2.974 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1 1889149560 TURCGFAAOYLDQK-UHFFFAOYSA-N 389.385 2.742 0 40 GFAB O=C(c1ccccn1)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841093 VYNULHYDYIPRNX-OAQYLSRUSA-N 383.423 2.649 0 40 GFAB CN(CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1)C1CCCC1 2037912487 LCACKZUUIHVROP-NRFANRHFSA-N 378.488 2.823 0 40 GFAB Cc1csc(C(=O)N2CC[C@H]3OC[C@@H](C(=O)Nc4cccnc4)C[C@H]3C2)c1 2055729801 NYOQULLEIHARPT-YQQAZPJKSA-N 385.489 2.957 0 40 GFAB Cn1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 47527396 OUUVBWZCCTUELJ-LBPRGKRZSA-N 378.379 2.512 0 40 GFAB COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)N32)OCO4)cc(OC)c1OC 1590395 HSYGXWWIEPKNOV-BFUOFWGJSA-N 399.399 2.907 0 40 GFAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 908262 KGAUPTXJARUUCQ-UHFFFAOYSA-N 398.444 2.928 0 40 GFAB Cc1cc(N2CCC[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1 4354281 YHMXMNNTXGBMIH-KRWDZBQOSA-N 376.464 2.777 0 40 GFAB O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 6759812 BFGFHFHYJJEWTJ-NEYJZJCJSA-N 398.846 2.531 0 40 GFAB O=C([C@H]1CSCN1C(=O)c1cccc(Oc2ccccc2)c1)N1CCOCC1 25121796 DHJCOUWGENDXLK-LJQANCHMSA-N 398.484 2.853 0 40 GFAB COC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 8092330 BGUGTTXBBSTOGK-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(F)c2)c1 55796191 DGQTUXOTWWJFPI-GOSISDBHSA-N 392.452 2.767 0 40 GFAB CCN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2O)C1=O 1408326 CNWOLGVYGSKIAC-RUDMXATFSA-N 392.580 2.563 0 40 GFAB O=c1c(NCCC2=CCCCC2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101696271 WIWHIIUYFAALPG-UHFFFAOYSA-N 379.504 2.907 0 40 GFAB CSc1ccccc1N1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O 101163514 SRVIXTSKUWYWAS-LJQANCHMSA-N 395.528 2.858 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)CC1 25776987 IQUKNFQUXOPSCH-MRXNPFEDSA-N 399.564 2.849 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc2c1OCCO2 57115819 UFRNBSUMQSHPAJ-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB CN(C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 10312820 BFYNMKGWIAUNDX-UHFFFAOYSA-N 394.269 2.976 0 40 GFAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1 57486527 PADUZXHMXBNOTH-UHFFFAOYSA-N 379.464 2.764 0 40 GFAB O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccccc2OC(F)F)C1=O 9870300 MYVIFVWXUARTFB-GFCCVEGCSA-N 394.355 2.805 0 40 GFAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NCc3cc(C)on3)cc2)c1C 58016006 DWWZKRVISXQWCN-UHFFFAOYSA-N 396.447 2.821 0 40 GFAB CCOc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cn1 44833590 RAIOEPRQSYEMPQ-FOWTUZBSSA-N 397.456 2.947 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)CCCNC(=O)c1ccsc1 12784126 ADFJUXPTDKNAPC-UHFFFAOYSA-N 392.477 2.600 0 40 GFAB COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl 58494634 GQHRQNVRYBXPRG-UHFFFAOYSA-N 385.800 2.937 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Cl)cc1Cl 3332556 KULUOENVBSXYSH-XYZCENFISA-N 384.263 2.891 0 40 GFAB COc1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)ccc1N1CCCC1=O 11258799 LOUPMLAEHBXYDR-UHFFFAOYSA-N 377.400 2.916 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccc(Cl)cc1 3332904 QBWFITGMYMNJBW-LBPRGKRZSA-N 389.839 2.966 0 40 GFAB Cc1cc(C(=O)NCc2ccc(-n3ccnc3)nc2)c2cnn(C(C)C)c2n1 29220681 BKZFFKDNDJNAOH-UHFFFAOYSA-N 375.436 2.831 0 40 GFAB CC(C)NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232436 LSAJJVQZASQPCB-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(=O)O)S(C)(=O)=O 20237390 WONTXEMUUUVIRD-UHFFFAOYSA-N 396.852 2.751 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccccc2Br)cc1 3507035 KLDNFNCGIPYSJL-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB CC(C)c1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 12984395 YKFJJYIARRUAEU-CYBMUJFWSA-N 381.885 2.566 0 40 GFAB COc1ccc([C@H](NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)C2CC2)cc1 12932921 QPDTXUORMNYSHY-WSTZPKSXSA-N 384.476 2.828 0 40 GFAB CCCCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@H](C)CC 13096454 RQQNGKVQUFKKBR-QVKFZJNVSA-N 387.480 2.643 0 40 GFAB Cc1ccc(C2=Nn3c(nnc3-n3nc(C)cc3C)S[C@@H]2CC(=O)O)cc1 13013815 MMIYYMATDPXZGS-CQSZACIVSA-N 382.449 2.590 0 40 GFAB COc1cc2[nH]c3c(N4CCN(c5ccccn5)CC4)ncnc3c2cc1OC 13115653 WGQLEONTRACMBO-UHFFFAOYSA-N 390.447 2.850 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4046282 YWZIKHGMOUDZQZ-QOEFQVSFSA-N 392.455 2.984 0 40 GFAB biogenic CCCCn1c(CSc2nccn2C)nc2cc(S(N)(=O)=O)ccc21 5093459 SHVHNDRBVCQWJY-UHFFFAOYSA-N 379.511 2.510 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 4469057 ZMNSIGOHVYPDGX-MRXNPFEDSA-N 389.473 2.579 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 20454527 MCNPPWHJMHMUHC-UHFFFAOYSA-N 387.461 2.746 0 40 GFAB COc1cc(CN2Cc3c(-c4ccncc4)nc(N)nc3[C@H]2C)cc2c1OCO2 65531777 IMSYFSXEGWAITB-GFCCVEGCSA-N 391.431 2.935 0 40 GFAB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(-n2cncn2)cc1 14231482 QZPUNWCTHHPNIB-OAHLLOKOSA-N 375.432 2.885 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccn2)c(OC)c1 4739361 BDDZNTRPUPEMDT-GOSISDBHSA-N 392.419 2.618 0 40 GFAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)n1C 5704115 IDRIXWMPMNEMRV-UHFFFAOYSA-N 393.534 2.796 0 40 GFAB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 6905867 FJTCCGFPUVJKHN-HNNXBMFYSA-N 381.384 2.619 0 40 GFAB Cc1sc2nc(CSc3nnc(N4CCOCC4)s3)[nH]c(=O)c2c1C 67874010 TTZPZPDPGCDLBX-UHFFFAOYSA-N 395.535 2.582 0 40 GFAB Cc1ccnn1-c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 7454799 QPULXHQLJCFYGS-UHFFFAOYSA-N 391.383 2.551 0 40 GFAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1COc2ccccc2O1 7988406 WVFIUTSCWOGQOA-KRWDZBQOSA-N 397.456 2.911 0 40 GFAB CCOc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 71850240 RGUDVYDBQZLSDM-MRXNPFEDSA-N 394.518 2.616 0 40 GFAB Cc1ccnc(NC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)c1 8720328 SEXVTUMCFKFFKC-UHFFFAOYSA-N 386.477 2.628 0 40 GFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1 95549186 ORXSXEPRTIZJGK-HUUCEWRRSA-N 397.456 2.708 0 40 GFAB Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nccn3CC(=O)O)c2)c1 89624142 QOVNMJMRIYGDDF-UHFFFAOYSA-N 389.408 2.883 0 40 GFAB COc1cccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 408648543 ZCVSLLKXDLDVSU-UHFFFAOYSA-N 396.321 2.992 0 40 GFAB CCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 409142627 LDAJITQUXATUPC-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409393801 YDNMHCWBFGGGMT-MRXNPFEDSA-N 390.505 2.767 0 40 GFAB CCCCS(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 27745194 HLSHGUVKCNQFRQ-SNVBAGLBSA-N 387.458 2.657 0 40 GFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)CC(C)C)CC1 408628978 YWWCSGLIFACJJR-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB NCC1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218474026 KVUJHVCOAZYBNB-JKSUJKDBSA-N 385.316 2.837 0 40 GFAB COc1ccccc1Oc1nccnc1C1CCN(C(=O)Cn2cccn2)CC1 72363096 YPXMCKSTFVDPTM-UHFFFAOYSA-N 393.447 2.880 0 40 GFAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 38678337 PDLMITSCPFHXQP-UHFFFAOYSA-N 386.473 2.935 0 40 GFAB Cc1ccc(N2CCN(C(=O)c3ccccc3-n3nnnc3C)CC2)c(C)c1 71283462 KNOKQTUAAVYPHV-UHFFFAOYSA-N 376.464 2.550 0 40 GFAB CCN(Cc1ccco1)C(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O 72347039 QVNSXTYCNLFRAT-UHFFFAOYSA-N 393.447 2.809 0 40 GFAB COC(=O)C[C@H]1Oc2cc(C)ccc2N(Cc2cccc(C(=O)OC)c2)C1=O 49597398 HHDGAIOTNPZRGM-GOSISDBHSA-N 383.400 2.639 0 40 GFAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)S(=O)(=O)CC 222392781 WEILSCPNYMEDQX-UHFFFAOYSA-N 376.434 2.844 0 40 GFAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NC[C@@H]1CCCO1 227159303 GMOSZKUWQGVEGO-OCCSQVGLSA-N 394.269 2.697 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 224140985 QJKKTQQKSHIDJO-QFBILLFUSA-N 390.505 2.511 0 40 GFAB O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 572094088 IXIYCAJWDBKMCP-QHSBEEBCSA-N 380.429 3.368 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cccc(OCC(F)(F)F)c2)c1=O 48354289 TVKAIQPPDXIJIE-UHFFFAOYSA-N 394.271 2.955 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 225710774 CFQVMVKZEWSTHX-CYBMUJFWSA-N 392.477 2.591 0 40 GFAB Cc1ccccc1-c1csc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n1 40090683 WAWJHBSOOLUZKB-HNNXBMFYSA-N 379.507 2.871 0 40 GFAB Cc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 135325029 POJVEIQTBPZSKY-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)C(C)C 225232895 CUFKUDIUFJIRKS-INIZCTEOSA-N 396.553 2.963 0 40 GFAB C[C@@H](C(=O)NCCCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O 95474430 UWDDRBPQISBZCX-INIZCTEOSA-N 391.475 2.603 0 40 GFAB COc1cccc(NC(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1OC 239611932 FFNCMPHZTGGLNN-UHFFFAOYSA-N 389.431 2.671 0 40 GFAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4ccnc4)C3)o2)c1 257233156 GOAUWWTVBUGPMR-KRWDZBQOSA-N 380.448 2.877 0 40 GFAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cccc(-c2cccc(Cl)c2)c1 667051500 HGNZJVVEFPKYQS-SJORKVTESA-N 394.880 2.941 0 40 GFAB COc1cc(CNc2nccc(N3CCOCC3)n2)ccc1OCC(F)(F)F 676308707 LORCEIWWFXYTAA-UHFFFAOYSA-N 398.385 2.875 0 40 GFAB CO[C@@](C)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 96393091 YDLGIONUHDDTIB-IBGZPJMESA-N 378.831 2.773 0 40 GFAB CN1CCc2cc([C@@H](O)CNC(=O)c3ccccc3Br)ccc21 96362419 VSNAYTSUHSAEHU-KRWDZBQOSA-N 375.266 2.905 0 40 GFAB Cc1cc(OC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc(C)n1 390829244 XRPNNNYXFASOJU-UHFFFAOYSA-N 379.457 2.773 0 40 GFAB O=C([C@H]1CCc2ccccc2O1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831222 QMNJNLKMJUEYCK-WOJBJXKFSA-N 385.485 2.769 0 40 GFAB CCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 575421484 QTTKCYGTEZACBS-SFHVURJKSA-N 391.514 2.751 0 40 GFAB Cc1nnc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)o1 685945053 QTDVOXWLVFKZKR-SFHVURJKSA-N 393.399 2.912 0 40 GFAB FC(F)(F)c1ccnc(OC2CCN(c3ncnc4cnccc34)CC2)n1 1776009543 HPFSTAQWIAVYFT-UHFFFAOYSA-N 376.342 2.881 0 40 GFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12786913 XYZSBVZWUDWJAX-UHFFFAOYSA-N 395.202 2.541 0 40 GFAB CNc1ncccc1CN1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 19017420 GSLGTLGYZKEULX-IBGZPJMESA-N 380.496 2.545 0 40 GFAB COc1cccc(-c2cnc(NCCN3CCCC3=O)nc2-c2nccn2C)c1 19291671 NRVCVGQRVCWKLA-UHFFFAOYSA-N 392.463 2.587 0 40 GFAB Cc1ccccc1N1C[C@@H](C(=O)NC2CCN(Cc3ccccn3)CC2)CC1=O 19714008 BZSGDLHKGDTIDF-SFHVURJKSA-N 392.503 2.524 0 40 GFAB CNCc1cc(NC)nc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 19760426 QOGHJYAOWHWHAK-GOSISDBHSA-N 378.480 2.625 0 40 GFAB Nc1cc(=O)[nH]c(S[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)n1 19926865 ZBFJABFMIMNNGW-KRWDZBQOSA-N 384.436 2.641 0 40 GFAB COCCn1cc(NC(=O)c2nn(-c3ccccc3Cl)cc2C)ccc1=O 157586345 PRRBKAXPSQRMNM-UHFFFAOYSA-N 386.839 2.895 0 40 GFAB Cc1cc2c(cc1C)C(=O)NC[C@@H](C(=O)NCCc1c[nH]c3ccccc13)O2 12235605 FNKMWRUGMODFCU-FQEVSTJZSA-N 377.444 2.634 0 40 GFAB O=C1COC[C@H](C[C@@H]2CN(C(=O)Cn3ccc4ccccc43)c3ccccc32)N1 554058366 IUIIRJSBNCSFIO-MSOLQXFVSA-N 389.455 2.677 0 40 GFAB NC(=O)c1cc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)ccc1F 590663222 WXWMMEIFIPOGFA-AWEZNQCLSA-N 385.424 2.537 0 40 GFAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1 19357508 LLLCTSFSWDELQK-SNVBAGLBSA-N 392.462 2.800 0 40 GFAB CC(=O)N(c1ccccc1)c1nc(Cn2nnn(-c3ccccc3)c2=O)cs1 10802116 IYAYKSLSEABJER-UHFFFAOYSA-N 392.444 2.618 0 40 GFAB COc1ccccc1NC(=O)CN1CCC(N(C)c2ncc(Cl)cn2)CC1 1849474461 MPGLSQVYFHBDQR-UHFFFAOYSA-N 389.887 2.678 0 40 GFAB NC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 21481092 XEOMJRYENKYMGV-UHFFFAOYSA-N 380.429 2.676 0 40 GFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C1 32081077 CEAVSBHMEUMOGY-LLVKDONJSA-N 394.836 2.578 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238929540 UYNZNBWWGMNJHV-BXWFABGCSA-N 377.400 2.619 0 40 GFAB Cn1cnc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)c1 2037843331 BMBSXDFKEDPDDN-AZUAARDMSA-N 382.508 2.532 0 40 GFAB O=C1COc2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 643474 KXFUQSJGIFKYIV-UHFFFAOYSA-N 390.189 2.820 0 40 GFAB Cc1cc(C)cc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)c1 4316194 RUKZOVOIUVAHAJ-UHFFFAOYSA-N 376.376 2.912 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)c1 4483204 VTLFSQSBQHBCEJ-UHFFFAOYSA-N 397.862 2.967 0 40 GFAB O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1 9660740 FZBUFJQYGPTWOQ-UHFFFAOYSA-N 375.403 2.988 0 40 GFAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N(C)c2ccccc2)CCCC3)n1 9828823 YLJPNEKMQRIKDM-UHFFFAOYSA-N 391.475 2.588 0 40 GFAB CN(C)CCCN(C(=O)c1ccn(C)n1)c1nc2c(F)cc(F)cc2s1 11695508 FENWRPSHLGMANB-UHFFFAOYSA-N 379.436 2.907 0 40 GFAB Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228268 IQVXVENBAGKJLM-UHFFFAOYSA-N 395.369 2.808 0 40 GFAB Cc1ccc(-c2cc(C(=O)O)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 26421278 RPANQLKFUJMVSR-CQSZACIVSA-N 385.445 2.773 0 40 GFAB Cn1ccnc1S(=O)(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890845350 RDNUGFYGCCHPMH-UHFFFAOYSA-N 397.504 2.809 0 40 GFAB Cc1c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2112709 IGAYVHQLLWGOTO-ZDUSSCGKSA-N 381.812 2.618 0 40 GFAB biogenic COC(=O)COc1ccc(/C=C2\C(=O)Nc3cc(OC)c(OC)cc32)cc1OC 40546128 FMECUSRFNYFWRU-AUWJEWJLSA-N 399.399 2.757 0 40 GFAB CCOC(=O)c1nc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 40088523 NACHCNGLWQNNRO-LBPRGKRZSA-N 382.507 2.916 0 40 GFAB Cc1nc(C)c(CC(=O)NCc2ccccc2COc2ccccc2)c(=O)[nH]1 31367683 SHAMPISDEZQUCX-UHFFFAOYSA-N 377.444 2.825 0 40 GFAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102234710 QYFXCDCMMOGUKW-RZLSGREXSA-N 392.883 2.554 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc4oc(=O)n(C)c4c3)C2)cc1 102294594 WDVYNKRNIOWNIM-MRXNPFEDSA-N 393.443 2.931 0 40 GFAB COc1ccc(CCCN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 32868902 AUGPAQZCVBKLEE-UHFFFAOYSA-N 396.443 2.634 0 40 GFAB Cc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)sc1CC(N)=O 32871336 JGMUURLGMGYFHM-ONGXEEELSA-N 381.498 2.976 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)N1CCN(C(=O)c2ccc(F)cc2)CC1 32925365 XGCDCEWLBFKKLD-UHFFFAOYSA-N 375.429 2.545 0 40 GFAB COCCN(Cc1cccs1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 52843483 ZCCQAVMRPQYRIV-UHFFFAOYSA-N 383.473 2.642 0 40 GFAB Cc1ccc2c(c1)CCCN2CC(=O)NCC1(N2CCOCC2)CCCCC1 22095651 BGBACSQUCVXBTK-UHFFFAOYSA-N 385.552 2.899 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccnc1Oc1ccccc1 103164861 OEBNDCLHEIACML-KODHJQJWSA-N 389.411 2.620 0 40 GFAB O=C(CCNc1ncnc2[nH]cnc12)NCCc1ccc(Cl)cc1Cl 12391221 ZBJCRPNQPSCUJI-UHFFFAOYSA-N 379.251 2.821 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1 882811 PGUZGSABOCFOLN-UHFFFAOYSA-N 385.449 2.800 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 78877018 ZKKKZYBEKSBJOK-SFHVURJKSA-N 381.432 2.567 0 40 GFAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 23146386 GIFUYNBHCGBYRI-MRXNPFEDSA-N 375.488 2.811 0 40 GFAB CC(C)(C)OC(=O)Nc1snnc1C(=O)N[C@H]1CCN(CC2CCCC2)C1 79097228 RYFCJNFGYTZYRM-ZDUSSCGKSA-N 395.529 2.879 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 7361303 PWPTWSMFRCVNLO-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1 24749474 NPOHSTOUMZJJNO-LLVKDONJSA-N 398.444 2.963 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccc(O)cc3)CC2)c1C 34868023 OXWXXDYYAOAOGV-HNNXBMFYSA-N 385.464 2.517 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)cc2)ccc1OC 20491180 FQQOIQJLHRYPPH-UHFFFAOYSA-N 376.478 2.574 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1cccc(F)c1 57428881 ZQVOZLRDPIYKPF-UHFFFAOYSA-N 395.415 2.992 0 40 GFAB CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)CC1 10025029 ZDUBJNGXXLTPDU-UHFFFAOYSA-N 379.526 2.530 0 40 GFAB CCCC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2098865 RMHCEHNMVCAJHD-OAHLLOKOSA-N 375.421 2.721 0 40 GFAB biogenic Cc1ccc(CNC(=O)c2nnc(CSc3nnnn3C(C)C)s2)cc1 27595337 HOVJTMPVRZJPKJ-UHFFFAOYSA-N 389.510 2.636 0 40 GFAB COCCn1nc(C)c(CNC(=O)NC[C@H](C(C)C)N2CCCCCC2)c1C 58172225 RLHOWUHIRFGIKZ-HXUWFJFHSA-N 393.576 2.846 0 40 GFAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)no3)n2)c(OC)c1 58217509 UBZAOCXGFBLBGZ-UHFFFAOYSA-N 375.410 2.516 0 40 GFAB CCOc1ccc2nc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)sc2c1 12787100 RIJJXKOTLREMHJ-UHFFFAOYSA-N 399.428 2.792 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N3CCC(C(=O)O)CC3)c(=O)oc2c1C 2105257 PXXHJUHCQYWXFW-UHFFFAOYSA-N 387.432 2.674 0 40 GFAB biogenic CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2F)n1N 21242647 XNWGOZKNVGGQHX-UHFFFAOYSA-N 377.470 2.610 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)cc1 2383563 KNHMFMJSEGZLSS-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C 55986016 LJNNJTVKDPRQHP-UHFFFAOYSA-N 395.477 2.816 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)NC[C@@H](c1ccco1)N1CCCCC1 45471844 UCUIPNPBZPBDMJ-SFHVURJKSA-N 397.475 2.739 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2oc1=O 100763347 NFFRJLIAGVJWIQ-GASCZTMLSA-N 387.432 2.796 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1Cl 12809952 BIVYNMYSYJNFDQ-UHFFFAOYSA-N 381.837 2.914 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CN3CCCCCC3=O)cc2F)C[C@@H](C)O1 46068454 JQQDNKIHAWEDEK-GASCZTMLSA-N 377.460 2.780 0 40 GFAB Cc1csc(Sc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)n1 60036673 MJNUMZJFMGSKSW-LBPRGKRZSA-N 383.520 2.911 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 29670782 RLDIONFEYPASBR-UHFFFAOYSA-N 390.798 2.806 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)CCC3)cc1 12208859 ZRQPUDLZDPHCQB-UHFFFAOYSA-N 386.473 2.685 0 40 GFAB COC(=O)c1cnc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)s1 12940424 WCSFFFBIROLMBX-UHFFFAOYSA-N 386.433 2.668 0 40 GFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 65530386 RWAJHTGAOOZLPE-WFASDCNBSA-N 376.478 2.939 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 5313163 IFXMFBIYBSJMGP-FOIQADDNSA-N 389.521 2.704 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(-c2ccc[nH]2)o1 14108820 YDTAVHWJOBCNNW-UHFFFAOYSA-N 385.449 2.529 0 40 GFAB O=C(CCc1nnc2ccccn2c1=O)N1CCC(Cc2ccccc2)CC1 96231852 RMDMHMHZNAZCNP-UHFFFAOYSA-N 376.460 2.503 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1noc2ccccc12 14939884 NAQVQNXYGJDGOW-UHFFFAOYSA-N 377.322 2.885 0 40 GFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccccc1C 4814952 ITPOITCEVUIBPA-UHFFFAOYSA-N 399.476 2.860 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(NC2CC2)s1 7535504 MUBLPAWLFNHXIA-UHFFFAOYSA-N 393.494 2.810 0 40 GFAB CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC(=O)NC(C)C 7789579 XJKPVKMFQOWBPL-UHFFFAOYSA-N 396.491 2.724 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)cc(F)c2)C1 16305787 MSQXNQTWWDQQDA-LBPRGKRZSA-N 399.419 2.609 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 26783772 MHICPCLNSDWORM-UHFFFAOYSA-N 377.400 2.721 0 40 GFAB CN1CCCN(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3nc21 8061634 NOYOHICGZQONCV-SFHVURJKSA-N 376.416 2.643 0 40 GFAB Cc1nc(SCC(=O)N2CCCC[C@H]2C(N)=O)c2c(C)c(C)sc2n1 8560392 DZQFKHUEWODXCA-LBPRGKRZSA-N 378.523 2.575 0 40 GFAB COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 8748893 SASBURGWXVMZNK-UHFFFAOYSA-N 394.518 2.861 0 40 GFAB COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)sc1CC(C)C 72405368 LKEWWHLIBNEDEG-ZDUSSCGKSA-N 387.461 2.942 0 40 GFAB CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 95347452 YPTDMWGPTWQLPT-IACUBPJLSA-N 375.412 2.845 0 40 GFAB CCOC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408585584 GMWLZTZOSYEKCI-UHFFFAOYSA-N 375.446 2.770 0 40 GFAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 20454749 GUZYUTIKLBOIOW-UHFFFAOYSA-N 382.825 2.735 0 40 GFAB COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C(C)=O)[C@]15CC2)[C@@H]43 524731672 GWYVXPNMQFBXRS-AZCFJWIISA-N 380.488 2.871 0 40 GFAB biogenic COCCCNC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 526052644 QQHZMLUWQIWOKL-UHFFFAOYSA-N 396.491 2.807 0 40 GFAB CCN1CCN([C@H](c2ccc3ncccc3c2)c2nnnn2C(C)(C)C)CC1 35291330 JDQZGOHVRIZVOS-LJQANCHMSA-N 379.512 2.703 0 40 GFAB CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408620409 JNBDINTZROICJS-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB COc1ccc(C2=NN(C(=O)c3cccc(O)c3)[C@@](O)(C(F)(F)F)C2)cc1 32100930 KZCKTHACLXYGRF-KRWDZBQOSA-N 380.322 2.902 0 40 GFAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnc2onc(C)c2c1 32905847 HDQBUBIJKGZCIF-UHFFFAOYSA-N 396.447 2.875 0 40 GFAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)NCc4c(C)noc4C)C3)nc2)n1 77100767 NVPSXPMGFZDAHY-MRXNPFEDSA-N 396.451 2.578 0 40 GFAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1cccc(Cl)c1 40268196 LATWUFOUNXIGFB-UHFFFAOYSA-N 394.880 2.860 0 40 GFAB Cc1ccc2c(c1)O[C@@H](C(=O)NC(C)(C)CC(C)(C)C)CN2S(C)(=O)=O 224486253 RGJPQXXNPTZIJP-MRXNPFEDSA-N 382.526 2.853 0 40 GFAB Cc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223225514 KRKPEBKKJRZJQY-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB CC(C)Sc1ccc(CC(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)cc1 77100096 FCHNJQJELLZZMR-UHFFFAOYSA-N 383.477 2.648 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 223380661 OHLLTMGBUKNJSC-OAHLLOKOSA-N 388.489 2.511 0 40 GFAB NC(=O)C1CCN(C(=O)CCc2nc(-c3cccc4ccccc34)no2)CC1 225829418 QRGOMEKOLMZCDP-UHFFFAOYSA-N 378.432 2.546 0 40 GFAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccc(C(F)(F)F)cc1)C2 514288519 BWRFWQYZPZEDSQ-RBUKOAKNSA-N 397.485 2.667 0 40 GFAB biogenic,in-vitro Cn1cc(-c2cnc(NCc3ccccc3)nc2)cc1C(=O)N1CCOCC1 96147605 UNHCDKZJCFJQBY-UHFFFAOYSA-N 377.448 2.567 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 238857590 KCYDZLGNIUIWPF-UHFFFAOYSA-N 397.847 2.551 0 40 GFAB Cc1nnnn1-c1ccccc1C(=O)N[C@@H](CC(C)C)c1nnc2ccccn12 96118675 YKPJSHPNSMVFIC-INIZCTEOSA-N 390.451 2.531 0 40 GFAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1cc(F)ccc1-n1cnnn1 96118569 ANIMBVSOFGYVEX-UHFFFAOYSA-N 393.426 2.821 0 40 GFAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccnc2OC)C3)cc1 96269387 HRRKFFMQXSZLBQ-SFHVURJKSA-N 380.448 2.651 0 40 GFAB biogenic,in-vitro CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)CN(CC2CC2)C3=O)cc1 96202861 NTDQHWDDCCTIGD-UHFFFAOYSA-N 376.522 2.833 0 40 GFAB O=C(NCC[C@@H]1CCOC12CN(Cc1ccccc1F)C2)c1cscn1 247496521 OJAFFWYYCXRGCC-OAHLLOKOSA-N 375.469 2.693 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257270857 MVXOQHREEHEFPP-CQSZACIVSA-N 383.901 2.905 0 40 GFAB C[C@H](OC(=O)[C@@H](C)OC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)O 252012296 STRXWPMOCADHPH-QLFBSQMISA-N 398.411 2.969 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257253175 JXVLPVMBNOFLDN-LJQANCHMSA-N 384.480 2.603 0 40 GFAB COc1cccc([C@H](CNC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)N2CCCC2)c1 626744054 AVHKAZOFGCGAKQ-MNEFBYGVSA-N 389.496 2.584 0 40 GFAB c1ccc(COc2cccnc2N2CCN(CCc3cnccn3)CC2)cc1 631534492 MHWWJTSPEWIDOO-UHFFFAOYSA-N 375.476 2.815 0 40 GFAB O=C(NCc1cccc2c1CCOC2)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 634320551 OHVOXEDEYMFBFC-INIZCTEOSA-N 382.435 2.958 0 40 GFAB NC(=O)N1CCCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 663525954 JSWJEPKNRFZBQD-UHFFFAOYSA-N 376.464 2.833 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1 41615945 NMGUALDAEVOKGW-UHFFFAOYSA-N 393.896 2.694 0 40 GFAB O=C(Nc1ccc2cn[nH]c2c1)c1nnn(-c2ccc(Br)cc2)n1 77100511 DPLMDTMDSAMZNZ-UHFFFAOYSA-N 384.197 2.553 0 40 GFAB FC(F)(F)c1nc(-c2cncc([C@@H]3CCCN(Cc4cncnc4)C3)n2)no1 585291008 ZCIAFSDBRWMTRT-GFCCVEGCSA-N 391.357 2.715 0 40 GFAB CN(C(=O)Cc1cscn1)C1CCC(N(C)C(=O)Cc2cscn2)CC1 585114321 LVVZHEOMMZZUHN-UHFFFAOYSA-N 392.550 2.613 0 40 GFAB Cc1cc2c(s1)c1cnn(CCC(N)=O)c(=O)c1n2Cc1ccc(F)cc1 12113568 MQDVJCIAKLNQRF-UHFFFAOYSA-N 384.436 2.784 0 40 GFAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC[C@@H](C(F)(F)F)C1 18233187 SNCFYVTVVGYONQ-QWHCGFSZSA-N 398.381 2.612 0 40 GFAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)Cc1cccnc1 19017715 SHRNDFWBLVSNGY-KCZVDYSFSA-N 381.451 2.769 0 40 GFAB Cn1ccnc1-c1nn(CCNC(=O)[C@@H]2CCCO2)cc1-c1ccc(Cl)cc1 19291543 MRORZRTUNQVHSY-KRWDZBQOSA-N 399.882 2.899 0 40 GFAB Cc1cccc([C@H]([C@@H](C(=O)c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366163 ITRIZILBESUUJP-PKTZIBPZSA-N 394.515 2.952 0 40 GFAB CCN1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1 19528058 BTBUZTWUIBAWLV-FQEVSTJZSA-N 380.471 2.587 0 40 GFAB Cc1ccccc1C(=O)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576544 QNGLMNYFSWBNCD-LEWJYISDSA-N 383.488 2.964 0 40 GFAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccccc1 10255249 CDXHXORSSOKCAN-HNNXBMFYSA-N 385.489 2.642 0 40 GFAB CCc1cnc(N2CCN(C(=O)[C@H](Oc3ccccc3)C(C)(C)O)CC2)s1 669245217 NXWLYBZIDMQVLT-KRWDZBQOSA-N 389.521 2.573 0 40 GFAB O=S(=O)(Cc1cc(F)cc(F)c1)NCc1nc(C2CCSCC2)no1 575608272 RUWVOQCYJOODMY-UHFFFAOYSA-N 389.449 2.578 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(F)cc2)cc1C 5752593 YZRATGFCRKVSMI-UHFFFAOYSA-N 393.436 2.537 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc(-c2ccco2)s1 1889002145 XWXPKXGJFATIHD-ZDUSSCGKSA-N 384.413 2.766 0 40 GFAB COc1cccc(N2CCN(C(=O)c3ccc(OC4CCOCC4)nc3)CC2)c1 239611995 FGRNRLGBTWNAKC-UHFFFAOYSA-N 397.475 2.610 0 40 GFAB COc1cnc(C(=O)N2CCC[C@@]3(CCCN(Cc4cccc(C)n4)C3)C2)cn1 2056224695 PZXGXGOAKBQAFL-JOCHJYFZSA-N 395.507 2.707 0 40 GFAB COc1cc(C(=O)N2CCC3(CC[C@@H]3NC(=O)CCc3ccccc3)CC2)on1 1565553888 MGOHAGINFRRCQM-SFHVURJKSA-N 397.475 2.817 0 40 GFAB O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)Nc1ccccc1Cl 1068142 POAZVIMRYGTIKX-UHFFFAOYSA-N 389.824 2.775 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 2456946 ADRHUILBNUZZQF-UHFFFAOYSA-N 378.454 2.620 0 40 GFAB CCCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 4250967 SIKRCYLLTDRQLQ-UHFFFAOYSA-N 385.855 2.570 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3F)CC2=O)cc1OC 5221616 HZLOBBXAYAAMPK-LLVKDONJSA-N 376.359 2.517 0 40 GFAB CCOC(=O)C1CCN([C@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22609128 SQAFKLCHIYDMFQ-OAHLLOKOSA-N 386.477 2.861 0 40 GFAB O=C(NC[C@](O)(c1ccoc1)c1ccco1)c1cncc(Br)c1 575414067 XXRWRTUPBZPOTJ-INIZCTEOSA-N 377.194 2.696 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(c2nc3c(C(F)(F)F)cccc3s2)C1 2298215344 CCVXIMRLBUSORX-VIFPVBQESA-N 379.429 2.833 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 20512690 IHXHMIZMYGPISL-SECBINFHSA-N 382.825 2.823 0 40 GFAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cccc(-n2cnnn2)c1 40106617 DFGYFPFPARNOMF-UHFFFAOYSA-N 390.378 2.919 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 40159668 CGNQCGZKDXFBCD-AWEZNQCLSA-N 376.840 2.819 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 40121598 CHLRWPKAAWENLY-AUUYWEPGSA-N 384.480 2.684 0 40 GFAB CC(C)C[C@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCC1 40120969 XSAGRKUPGSSVCM-LJQANCHMSA-N 384.524 2.792 0 40 GFAB COc1ccccc1-c1nc(CC(=O)N[C@@H](CCSC)C(=O)O)cs1 20738468 WRMCIUVSAHCJCY-ZDUSSCGKSA-N 380.491 2.684 0 40 GFAB CN(Cc1ccsc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32712549 ABRFSVNKPYBOKI-MRXNPFEDSA-N 378.519 2.807 0 40 GFAB CC(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 32860298 XKJLGVBRWCTTJM-KGLIPLIRSA-N 386.423 2.885 0 40 GFAB Cc1cccc(OCCNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 32802216 ZLJUDLSBEKNGPZ-NRFANRHFSA-N 383.492 2.747 0 40 GFAB CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccsc2C(=O)OC)c1 22410331 KJYZTMDSLSAXSA-UHFFFAOYSA-N 385.419 2.871 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)cc1 800359 GDOGOVKQJFMCEQ-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3ccccc3O)C2=O)cc1 937553 MMAVLZNLPGANGB-UHFFFAOYSA-N 386.791 2.610 0 40 GFAB CC1(C)N=C(O)N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)C1=O 1311787 SHARKFDQAWXPEM-IBGZPJMESA-N 381.476 2.585 0 40 GFAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)C3CCC3)c3nnnn3c2c1 1367333 AFJXITUVGASEPZ-GOSISDBHSA-N 379.464 2.894 0 40 GFAB CCOC(=O)CCCC(=O)c1ccccc1CN1CCC2(CC1)OCCO2 2515760 ZSFMJMLERBHNDR-UHFFFAOYSA-N 375.465 2.942 0 40 GFAB C[C@@H](NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3376644 VXNAZNKGLYIHDI-CQSZACIVSA-N 393.534 2.649 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 3432669 KJDKUNIECLLZSP-IBGZPJMESA-N 399.466 2.952 0 40 GFAB CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 4328339 STINQELFAQFBMG-UHFFFAOYSA-N 394.478 2.982 0 40 GFAB CCc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 4351366 JNFKQSGXWMIDSA-UHFFFAOYSA-N 380.400 2.698 0 40 GFAB COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]1C2 4761213 WDMWEJQAUXYPNE-QGZVFWFLSA-N 396.468 2.965 0 40 GFAB Cc1cccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)c1 4848195 IVEDCMPPJLWXHF-UHFFFAOYSA-N 382.464 2.667 0 40 GFAB CC(C)(C)NC(=O)CN(C(=O)CNC(=O)c1cccs1)c1ccccc1F 4861358 XPVAAWMQCDMUHE-UHFFFAOYSA-N 391.468 2.565 0 40 GFAB C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1ccc(C(N)=O)cc1 5280038 RVWUXHYGGMWKJE-CQSZACIVSA-N 377.400 2.760 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3ccccc3n2)c1C 5849134 LJWXKQATOFMDRL-UHFFFAOYSA-N 391.427 2.763 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 6608403 PLJCMWSNOUYVMQ-UHFFFAOYSA-N 391.475 2.954 0 40 GFAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678749 BUBYRCQAKYXTAD-UHFFFAOYSA-N 395.440 2.813 0 40 GFAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1 6832102 QUVKCMKEQNOJLY-OAHLLOKOSA-N 383.473 2.781 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)NC(=O)c3cccs3)n2C)cc1 7171712 BNUBQQQBNIVTPT-UHFFFAOYSA-N 388.474 2.601 0 40 GFAB Cn1nc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc2c1=O 7686906 HBQKWRYZNPTCPE-MRXNPFEDSA-N 382.489 2.562 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 7726739 LEYNUVDPIWMOQB-UHFFFAOYSA-N 388.445 2.791 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 8429785 SCQIHJCVTFRODN-UHFFFAOYSA-N 382.811 2.695 0 40 GFAB CN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CCCCC1 8434687 UTOPOUIJWOIZKN-UHFFFAOYSA-N 379.254 2.836 0 40 GFAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 8747947 YPQNXWYRELQFPH-CYBMUJFWSA-N 380.853 2.552 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1F)c1ccccc1Cl 8810436 HFMRFVNOMDFUKG-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CCOc1ccc(NC2=N[C@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 9302587 BVRGXTDIVRHUMR-SFHVURJKSA-N 376.420 2.786 0 40 GFAB COc1ccc(-c2cnc([S@](=O)CC(=O)NCCc3ccccc3)n2C)cc1 9828767 CKVQOWSOIKAVNP-NDEPHWFRSA-N 397.500 2.562 0 40 GFAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCN(c2nccs2)CC1 10270649 ZIVXIGDWDXOULF-UHFFFAOYSA-N 376.507 2.824 0 40 GFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 10448870 AGHQZSDKTSXXBI-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB COc1cccc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 11160763 XZAOGVBGJDDJHB-UHFFFAOYSA-N 399.399 2.611 0 40 GFAB CC1(C)CC(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)CC(C)(C)N1 11422710 ZZAJPOSVFFZDEZ-UHFFFAOYSA-N 388.537 2.875 0 40 GFAB Cc1c(O[C@H](C)C(=O)N2CCC[C@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 11866835 FNADEWROTREHBE-DYVFJYSZSA-N 399.443 2.823 0 40 GFAB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(CCCO)C3=O)c1 11916398 JXVULPQXCCILHB-HXUWFJFHSA-N 379.416 2.724 0 40 GFAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 12118380 AGHXWOMRBSPUMU-HNNXBMFYSA-N 397.504 2.997 0 40 GFAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc4nccnc4c2)C3)C1 12183655 NETYXWGYBBZVDO-HNNXBMFYSA-N 390.491 2.508 0 40 GFAB Cc1ccc(N2CCn3c2nnc(C(=O)NCCC2=CCCCC2)c3=O)cc1 12233725 XGVSNMFWCIKDAQ-UHFFFAOYSA-N 379.464 2.719 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccn2)N1CCc1ccccc1 12325034 PDFCVQPUUAYNQR-UNMCSNQZSA-N 394.496 2.973 0 40 GFAB COc1nn(C)cc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C 12422606 IRIBGGPAKASYLG-UHFFFAOYSA-N 377.857 2.853 0 40 GFAB NC(=O)c1ccc(CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)cc1 12521843 OYVNHHDQAUVLNR-UHFFFAOYSA-N 392.503 2.989 0 40 GFAB Cc1c(CC(=O)N2CCC(=O)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12893659 RCQBUBWBYDBYKV-UHFFFAOYSA-N 383.444 2.939 0 40 GFAB biogenic CCCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 13579560 MPMNGCULTCWWFS-UHFFFAOYSA-N 398.415 2.992 0 40 GFAB CCCCc1ccc2c(c1)s/c(=N/C(=O)c1ccn(C)n1)n2CC(=O)OC 13668150 JPXMNSWLQPPNPU-FMQUCBEESA-N 386.477 2.693 0 40 GFAB CC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715972 NRVSVHGAPPIDEU-MRXNPFEDSA-N 394.424 2.707 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cccc3ncccc23)s1 13985324 VUABRMRSTBUGNG-UHFFFAOYSA-N 375.475 2.640 0 40 GFAB Cn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3Cl)nnc12 16320738 TXZATVZMWMLASN-UHFFFAOYSA-N 399.863 2.965 0 40 GFAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(N2CCOCC2)c2nonc12 17080566 FPQXYNBDOSODFN-UHFFFAOYSA-N 394.431 2.566 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 18109084 HMKRTESMGAUHKI-CYBMUJFWSA-N 375.446 2.661 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)COc1ccccc1)C2 19017350 MMXYNOTYVVSVFR-FQEVSTJZSA-N 394.475 2.514 0 40 GFAB Cc1cccc(-c2ccc(C[C@]3(C(N)=O)CN(C(=O)C(C)C)CCO3)cc2)c1 19235336 YHWYNSUAPBGFIJ-HSZRJFAPSA-N 380.488 2.943 0 40 GFAB C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19458415 CDOIPLCOWFVQPY-LLVKDONJSA-N 377.379 2.943 0 40 GFAB CCn1cc(CN2CCN(C(=O)C[C@@H](C)n3nc(C)c(Cl)c3C)CC2)cn1 19524956 ZHBGHHJIRCZTTE-CQSZACIVSA-N 392.935 2.665 0 40 GFAB COc1ccc([C@@H]2C[C@H]3NC(=O)CCC[C@@H]3N2C(=O)CN2CCCCCC2)cc1 19713454 NQTQFLODSUZINA-HKBOAZHASA-N 399.535 2.882 0 40 GFAB Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)c3cccc(F)c3)CC2)nc(C)n1 19749796 DXIXSPPDEMEBJL-KRWDZBQOSA-N 392.500 2.912 0 40 GFAB Cc1c(CC(=O)N2CCN(C)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 20591755 WQQGFBSFOPAWOM-UHFFFAOYSA-N 384.476 2.522 0 40 GFAB O=S(=O)(c1ccc(NCCSCc2cccs2)nc1)N1CCOCC1 23763488 XJOIJBQBQKNDEG-UHFFFAOYSA-N 399.563 2.509 0 40 GFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c12 24924355 QLXCQMPRDXVDBU-UHFFFAOYSA-N 377.404 2.737 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 26955199 OARUJFQTMPTTCR-IBGZPJMESA-N 393.531 2.905 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 30654775 AQRBBEGGNRPHTL-UHFFFAOYSA-N 387.867 2.912 0 40 GFAB Cc1cnc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 32678551 VCXNRNHDBYWABR-UHFFFAOYSA-N 386.408 2.977 0 40 GFAB CCOC(=O)C1=C(COc2ccc(F)c3c2C(=O)C[C@@H]3C)NC(=O)N[C@@H]1CC 32789283 HIPNUZROYJJLIC-CMPLNLGQSA-N 390.411 2.803 0 40 GFAB COC(=O)c1c(SCC(=O)Nc2cccc(C(C)C)c2)nc(=O)[nH]c1C 32858372 LROGJGJLXBIMNW-UHFFFAOYSA-N 375.450 2.719 0 40 GFAB CCCCn1cnc2c1c(=O)n(C[C@@H](O)c1ccccc1)c(=O)n2CC(C)C 32882966 UBNQBRSFDOQIRT-QGZVFWFLSA-N 384.480 2.549 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(CCSc3ccccc3)CC2)cc1 32932885 MBFVFTBYYYIXFQ-UHFFFAOYSA-N 392.546 2.794 0 40 GFAB CN1CCN(c2nc3ccccc3nc2SCC(=O)N2CCCCCC2)CC1 35655301 PQHBSCHNBICNOF-UHFFFAOYSA-N 399.564 2.876 0 40 GFAB CC(C)(C)OC(=O)NCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O 38528820 GNMHHTYCWGVAML-NSHDSACASA-N 378.491 2.612 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1cc(C)ccc1C 47030860 UIOZLHJJRPZBMG-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1ccccc1-c1nnc(SCCNS(=O)(=O)c2ccccc2)o1 48187430 VIZGUOGFOXATCQ-UHFFFAOYSA-N 391.474 2.816 0 40 GFAB CC(C)c1ccc(OCCNC(=O)CCn2nnc3ccccc3c2=O)cc1 48500358 FVMJRGYXTVMJAX-UHFFFAOYSA-N 380.448 2.500 0 40 GFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NC1CCN(Cc2ccncc2)CC1 56422199 JWEVSDALRSPVCB-LJQANCHMSA-N 396.491 2.527 0 40 GFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 57552486 MUPVIXWWOOOTMF-MZKRTTBSSA-N 399.579 2.999 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)Nc3c4c(nn3C)CSC4)cc2oc1=O 62001739 BRLYYQXSKNASMX-UHFFFAOYSA-N 385.445 2.908 0 40 GFAB biogenic NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1 63298145 AIQDZMUPVYDVLB-UHFFFAOYSA-N 379.445 2.871 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCN(CC2CC2)CC1 65516794 JNIDHCDXBKPJOY-INIZCTEOSA-N 378.467 2.528 0 40 GFAB Fc1ccc(N2CCN(CCSc3nnc4ccccn34)CC2)c(F)c1 67839144 LOKBLLCVOKCEFR-UHFFFAOYSA-N 375.448 2.922 0 40 GFAB in-man CC[C@H](C(=O)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1)c1ccccc1 71000969 WHCADRGDUQPPJK-SFHVURJKSA-N 390.447 2.687 0 40 GFAB CN(C(=O)c1ccc(COc2ccc(F)cc2)o1)C1CCS(=O)(=O)CC1 72307889 MQPAFBHXUCYHHI-UHFFFAOYSA-N 381.425 2.647 0 40 GFAB O=C(CN1CC[C@@H]1c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2 72308974 KSVNJIFKXWHEOA-MRXNPFEDSA-N 385.395 2.692 0 40 GFAB Cc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 72350592 KRWQRMIMILQZKV-QGZVFWFLSA-N 377.448 2.756 0 40 GFAB Cn1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)c2nccnc21 72395906 NDRDNZMHJKZOEP-GFCCVEGCSA-N 391.884 2.585 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)c1 77198134 YBLXOQBYYHAANP-JTQLQIEISA-N 391.371 2.665 0 40 GFAB CC(C)n1c(CCNC(=O)c2cc(Br)ccc2O)n[nH]c1=S 84633018 ZHWYQJIXJNXMHJ-UHFFFAOYSA-N 385.287 2.962 0 40 GFAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)N1CCN(Cc2ccccc2)CC1 89420172 JPBWUPXVIINIAZ-QGZVFWFLSA-N 381.476 2.603 0 40 GFAB Cc1nnc(CCCSc2nnnn2-c2ccc(OC(F)(F)F)cc2)o1 89736328 OUSFDHIQCVNQIA-UHFFFAOYSA-N 386.359 2.977 0 40 GFAB CCn1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4ccccc4F)nn3)C2)n1 90591838 IBHHEZHIWUJNGE-AWEZNQCLSA-N 380.427 2.508 0 40 GFAB CC(C)(C)OC(=O)N1CC2(CN(C(=O)OCc3ccccc3)C[C@@H]2C(=O)O)C1 91302675 JEJZCYLNCZVMPL-OAHLLOKOSA-N 390.436 2.577 0 40 GFAB in-vitro C[C@H](O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)C1 95972455 WPPWGFLPSZVBJU-NWDGAFQWSA-N 383.370 2.830 0 40 GFAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)OC2(C)C)sc1Cc1ccccc1 96116963 XIIQXOCNONZITR-LBPRGKRZSA-N 388.445 2.801 0 40 GFAB Cc1csc(CCNC(=O)[C@@H]2CC(=O)N(c3cc(F)c(F)c(F)c3)C2)n1 96118619 NKNIXXDOBBYIGL-SNVBAGLBSA-N 383.395 2.581 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143030 PIHDPBVYAPMGCN-JOCHJYFZSA-N 396.512 2.771 0 40 GFAB C[C@H](C(=O)NCCSC(C)(C)C)N(c1ccccc1F)S(C)(=O)=O 113958029 UKROAISXRFWNME-GFCCVEGCSA-N 376.519 2.628 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)c(C)c1 216433914 JRDMHQKINHJIFP-UHFFFAOYSA-N 391.445 2.900 0 40 GFAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 224317955 YSLOFNLKEZGSLF-LBPRGKRZSA-N 397.478 2.608 0 40 GFAB Cn1nc(OCCCC(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 226865144 ILNJDNBFXYVMFM-CYBMUJFWSA-N 396.285 2.790 0 40 GFAB COc1cc(C(=O)c2ccc(C(C)=O)cc2-n2cncn2)cc(OC)c1OC 230490165 PQCHPCYINDLAJN-UHFFFAOYSA-N 381.388 2.727 0 40 GFAB COC1=C[C@]23CC(=O)CC=C2O[C@@H]2C[C@@H](C=O)CC(=C23)C(Br)=N1 238790944 FLDMALHFOXCZIM-DKRRZFASSA-N 378.222 2.819 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1C 245180748 ZJCPQUHGFXRYQW-KRWDZBQOSA-N 387.505 2.741 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C(=O)C[C@H]3c3ccccc32)c1 245377186 IOSGVIBONFEHJT-WBCYEJBOSA-N 377.396 2.663 0 40 GFAB CS(=O)(=O)N1CCc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@H]4C3)ccc21 247542485 SQFQHBRYJDGHQJ-ZAAXVRCTSA-N 378.538 2.554 0 40 GFAB O=c1/c(=C/Nc2ccccc2C(F)(F)F)sc2nc(-c3ccncc3)nn12 256055669 PDYVQVCKONDWRX-LCYFTJDESA-N 389.362 2.801 0 40 GFAB CNc1cc(C(=O)N2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)ccn1 257232773 GMIQLJRUUMWQDF-QGZVFWFLSA-N 390.447 2.871 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(CCO)Cc2cccnc2)[C@@H]1c1ccccc1F 257237768 HIBVUGQGDKAHHS-NQIIRXRSSA-N 399.466 2.541 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(CCO)Cc2ccccn2)[C@@H]1c1ccccc1F 257249815 JJWTTXHWVOKPQV-NQIIRXRSSA-N 399.466 2.541 0 40 GFAB CN1C(=O)N(c2cccc(N3CCCNC3=O)c2)C(=O)[C@@H]1Cc1ccccc1 278109690 KWHZVTVZBPHAKT-SFHVURJKSA-N 378.432 2.616 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4cccs4)C[C@H]2S3(=O)=O)cn1 306140565 UXKZOKZJIXLHGU-PKOBYXMFSA-N 385.514 2.904 0 40 GFAB Cn1cc2c(n1)N(C(=O)c1ccsc1)CC[C@H]2NC(=O)COc1ccccc1 306142599 XEEPWTGMHFAVQM-QGZVFWFLSA-N 396.472 2.768 0 40 GFAB CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 408556852 DXTHRFMYDLGQPK-GOSISDBHSA-N 396.553 2.555 0 40 GFAB O=C(CSCc1ccc(Br)cc1)NCCCN1CCOCC1 408574002 GVZOSHPABGVYMJ-UHFFFAOYSA-N 387.343 2.521 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl 408617010 BZHGMJHSOVDZMT-ZDUSSCGKSA-N 388.917 2.664 0 40 GFAB O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 529082871 ORQWLIAGZQYPQL-KGLIPLIRSA-N 394.884 2.709 0 40 GFAB COc1cc2c(cc1OC)CCN(C(=O)Nc1cccc3c1CCNC3=O)CC2 557142359 DFTFCEUKAGXRKU-UHFFFAOYSA-N 395.459 2.622 0 40 GFAB C[C@@H](N)[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 560056244 GHIYTVJEELLYOQ-MEBBXXQBSA-N 378.270 2.633 0 40 GFAB COCCc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1 574098999 FMVKNAMRDOMOIX-LJQANCHMSA-N 391.489 2.930 0 40 GFAB Cc1nn(CCNS(=O)(=O)c2cn(C(C)C)cn2)c(C)c1-c1ccsc1 575615505 PMWONJLBTPLGEF-UHFFFAOYSA-N 393.538 2.984 0 40 GFAB CN1c2ccccc2N(C2CCN(C(=O)Nc3cccs3)CC2)S1(=O)=O 575616088 VZSPUBGRRPTEQW-UHFFFAOYSA-N 392.506 2.946 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1csc2ccccc12 585147985 BTFRCSUFEAIUEY-KRWDZBQOSA-N 389.498 2.915 0 40 GFAB CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)O)C1 606241698 CUDDDUXLUVIDES-AUUYWEPGSA-N 378.425 2.766 0 40 GFAB CN1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)[C@@H](Cc2ccccc2)C1 650756681 HRWRALYGVJWYRR-KRWDZBQOSA-N 381.505 2.543 0 40 GFAB O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cnc2[nH]cnc2c1 679243185 GKSKPTMHKZFPGP-ZDUSSCGKSA-N 390.230 2.800 0 40 GFAB Cc1nc(C)c(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)s1 1206166794 XNXVEKROSQHFIB-HOTGVXAUSA-N 377.535 2.512 0 40 GFAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1cccc(Cl)c1 1549159260 YHHLCIXACAIQAP-XUVXKRRUSA-N 384.867 2.517 0 40 GFAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)[C@@H]4CCC[C@@H]4N)CCO3)n2)s1 2037835846 BXCOCQFWOMZAPU-YCPHGPKFSA-N 387.509 2.617 0 40 GFAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2096347 NAHCUSJLJQVSLG-SJCJKPOMSA-N 387.432 2.665 0 40 GFAB biogenic CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2775738 FTIUCIGRKVNZKD-HNNXBMFYSA-N 390.490 2.720 0 40 GFAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(I)cc2)C1 3249139 KWDFFKPGCVAULV-LLVKDONJSA-N 387.217 2.707 0 40 GFAB O=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccc(F)cc1 3271934 YOIPRLPENKJMFA-UHFFFAOYSA-N 380.213 2.990 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc(N)ccc2OC)cc1Br 3886250 AEAUSIDVJOZKDB-UHFFFAOYSA-N 387.255 2.849 0 40 GFAB Cc1ccc(Cn2nnc3c(SCC(=O)NCc4ccco4)ncnc32)cc1 4268873 BOELFYZQBDIYFB-UHFFFAOYSA-N 394.460 2.580 0 40 GFAB COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccc(Cl)cc3)N2)cc1 4279768 JAECVBXIWHCBHT-QGZVFWFLSA-N 395.850 2.786 0 40 GFAB C[C@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1 5184484 ARSXDJIXDOOMGI-NSHDSACASA-N 385.807 2.611 0 40 GFAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCn3ccnc3)ccc12 5206937 MCYMXUAUYFRKKE-OAHLLOKOSA-N 383.448 2.834 0 40 GFAB COc1ccccc1CCN1C(=O)[C@@](O)(C(F)(F)F)N=C1c1ccccc1 5269913 QKIWBFHQXODSCO-GOSISDBHSA-N 378.350 2.778 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2c(C)nc3c(c2=O)CCC3)sc(C)c1C 5608975 LGYKLWPDAAGHJW-UHFFFAOYSA-N 389.477 2.534 0 40 GFAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(F)c(Cl)c2)nc1N 5969484 QIUMDKCDRIKDRD-UHFFFAOYSA-N 384.820 2.759 0 40 GFAB CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)nc2scc(C)n2c1=O 6823687 YHSVSQGARACEMW-OAHLLOKOSA-N 391.518 2.672 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(Cl)cc2C(N)=O)c1 7022942 DELQFZZBGCGKOP-NSHDSACASA-N 392.839 2.712 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)Nc2cc(C)on2)nc1 7189677 AQPXTKIZNZHVDQ-LBPRGKRZSA-N 398.510 2.528 0 40 GFAB C[C@@H](OC(=O)CCn1ccc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 7223198 AOVYDHOWMVBGRH-CQSZACIVSA-N 379.416 2.701 0 40 GFAB Cc1ccc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(O)c1 7719430 PPYMGZFAVQVIMD-UHFFFAOYSA-N 399.472 2.500 0 40 GFAB COc1ccccc1NC(=O)COC(=O)CCCC(=O)NC1CCCCC1 7939889 TZFJKRANXIWUGB-UHFFFAOYSA-N 376.453 2.796 0 40 GFAB Cc1nc(-c2cccc(NC(=O)CN(C)CC(=O)NCc3ccco3)c2)cs1 8156802 PEXNAGJWIAFDIE-UHFFFAOYSA-N 398.488 2.898 0 40 GFAB COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)NC1CCCCC1 8475763 SHIBDXVRBSREPD-UHFFFAOYSA-N 392.477 2.829 0 40 GFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(O)c(Br)c1 8477195 OWDSXSDQTIGNFX-YRNVUSSQSA-N 379.210 2.559 0 40 GFAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 8772296 DVSKILXEDQPBCX-UHFFFAOYSA-N 392.452 2.517 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 8847826 OSWDTTTUGUCTPN-SFHVURJKSA-N 380.444 2.834 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)Nc2ccc(F)cc2)cc1 8945613 RWIVKNPTGAFTHK-UHFFFAOYSA-N 376.453 2.865 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3cc(C)ccc3C)CC2=O)cc1 9035917 WQBQBKAHKGFFTA-INIZCTEOSA-N 388.489 2.643 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1ccc(F)cc1 9038182 TZMIPGDKARSLQI-CQSZACIVSA-N 396.871 2.806 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 9234568 NMSHHNLAHJVOIE-OAHLLOKOSA-N 377.444 2.879 0 40 GFAB COc1cccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 9419620 NCLXVVUSGODGOK-SFHVURJKSA-N 381.432 2.577 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C(=O)NC(C)C 10009010 IMLGAWVONREMMU-UHFFFAOYSA-N 384.404 2.912 0 40 GFAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c2ccccn12 10272887 FOJMOGLFJFKNKG-UHFFFAOYSA-N 380.356 2.666 0 40 GFAB O=C(c1c(F)cccc1F)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 11027618 WFYWOFQRFRGMHQ-UHFFFAOYSA-N 399.397 2.692 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1N 11592210 CTCZUGNVEULIFX-CYBMUJFWSA-N 387.534 2.950 0 40 GFAB Cc1n[nH]c(S[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)n1 11707287 BSYRLMJBKHEZEK-SSDOTTSWSA-N 385.371 2.598 0 40 GFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2cncn2)cc1 11747553 DAKAPFOJFAUMHK-UHFFFAOYSA-N 384.823 2.664 0 40 GFAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@H]4CCCC[C@H]43)nc12 12117708 MBWKEOZHQMXXCX-HZPDHXFCSA-N 381.480 2.652 0 40 GFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)=O)C1 12157291 HFKKQYPOBUYVBE-QRWLVFNGSA-N 376.428 2.901 0 40 GFAB C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CC1 12548727 OLYNOYCYSASVPH-GFCCVEGCSA-N 377.441 2.706 0 40 GFAB O=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12556634 YMSVIJPYUCQYQM-UHFFFAOYSA-N 398.488 2.850 0 40 GFAB O=C1CN(C(=O)c2cccnc2Sc2ccc(Br)cc2)CCN1 12735701 VDUNBPQYJMRCJS-UHFFFAOYSA-N 392.278 2.567 0 40 GFAB CC(C)n1ncc2cc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cnc21 12769905 ZCXLCJXQLNZDCW-UHFFFAOYSA-N 399.476 2.587 0 40 GFAB O=C(Oc1ccc(-n2cnnn2)cc1)C1CCN(c2nc3ccccc3o2)CC1 12868558 SZLTUEKRHSBZTC-UHFFFAOYSA-N 390.403 2.626 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 12907938 NGQWXMHKAFRVMC-CHWSQXEVSA-N 389.477 2.791 0 40 GFAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 14083488 GBYRWLCZANIBHD-MRXNPFEDSA-N 389.459 2.881 0 40 GFAB CC[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)Nc1cc(C)on1 14246741 TYUPQEGQQHWXCH-INIZCTEOSA-N 385.420 2.680 0 40 GFAB O=C(CN1CCC(Cc2ccccc2)CC1)NC[C@H]1COc2ccccc2O1 14672802 LDYMPXDTTWTXKP-FQEVSTJZSA-N 380.488 2.897 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3CN2)c1 17045842 SFAWAHLJXJAUHH-RTWAWAEBSA-N 377.488 2.947 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(NC2CC2)s1 19241287 QTBSLDQBAGRITJ-UHFFFAOYSA-N 392.506 2.982 0 40 GFAB O=C(NCC1(c2ccccc2F)CCCC1)c1cc2ncc(CCO)cn2n1 19347948 FYYYNANLVSCPQM-UHFFFAOYSA-N 382.439 2.645 0 40 GFAB CN(C)C1(CNC(=O)c2cc(N3CCOCC3)nc3ccccc23)CCCC1 19718093 UBKPMFRQTIUHPC-UHFFFAOYSA-N 382.508 2.676 0 40 GFAB CC1CCN(S(=O)(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)CC1 19719815 KOCSXEHMGKNMBB-INIZCTEOSA-N 376.526 2.794 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@](C)(C(=O)NC3CCCC3)C1)n2C 19746829 JOAOGBPUXUPJQE-QFIPXVFZSA-N 383.492 2.777 0 40 GFAB C[C@@H](NC(=O)c1cccs1)C(=O)NCCOc1cccc2c1OC(C)(C)C2 24450651 FWVOZJWIPYVEBG-CYBMUJFWSA-N 388.489 2.775 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccccc2)on1 24538121 DKELXNWEVKMYMI-CYBMUJFWSA-N 385.445 2.822 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cccn2)cc1 25167345 NOHNKCHEGDTUOX-UHFFFAOYSA-N 378.432 2.560 0 40 GFAB CN1CCC(N(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 25784705 JKEKDNXWXBPMSH-UHFFFAOYSA-N 393.534 2.715 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N2CCC(NC(=O)c3ccccc3)CC2)cc1 25826328 OJVBXBMFJXPPCT-KRWDZBQOSA-N 395.503 2.594 0 40 GFAB COc1ccc(-c2nc(CC(=O)N3CCC[C@H](C(=O)O)C3)cs2)cc1OC 32089680 OEMQDTARVVVMFG-ZDUSSCGKSA-N 390.461 2.693 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1cccc2nonc12 33543385 HVBGMNMPGOEDEL-NTEUORMPSA-N 380.385 2.898 0 40 GFAB Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccc(F)cc4F)cnc3c2c1 35423787 BOSHSYIHWOROLV-UHFFFAOYSA-N 382.370 2.781 0 40 GFAB CSc1cccc(NC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1 35598141 IFDZZVMJDADBFP-UHFFFAOYSA-N 395.492 2.738 0 40 GFAB CCn1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36618893 WWPPXHVBOYUMCZ-GFCCVEGCSA-N 379.399 2.638 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(C)cc1 40009921 ZJIVFZHFORYJRV-GOSISDBHSA-N 389.473 2.574 0 40 GFAB CC(=O)Nc1c(C)cccc1C(=O)NCc1ccc(CN2CCOCC2)cc1 40146920 GSVAZVWBNYLRDP-UHFFFAOYSA-N 381.476 2.716 0 40 GFAB CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc(OCC(F)(F)F)cc1 40154944 HCSWZRAHKMBNBZ-AWEZNQCLSA-N 392.443 2.892 0 40 GFAB Cc1ccc2nc(SCC(=O)NCCc3ccc(F)cc3)n(C)c(=O)c2c1 48310518 DUYCAEPIEKLEHK-UHFFFAOYSA-N 385.464 2.832 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 57427180 ZBIFUCVQPRNVSY-UHFFFAOYSA-N 387.461 2.672 0 40 GFAB C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2 57672846 AUEFQDYMMTXNQK-LBPRGKRZSA-N 390.386 2.733 0 40 GFAB COc1cccc(CN2CCn3c(CO)nnc3C2)c1OCc1cccc(F)c1 57822979 YYSGXDQNQHAABA-UHFFFAOYSA-N 398.438 2.513 0 40 GFAB CCOc1c(OC)cc(CNC(=O)NCc2ccnc(OC)c2)cc1OC 58264900 VJJYIYREELCBKG-UHFFFAOYSA-N 375.425 2.506 0 40 GFAB O=C(OCc1coc(-c2ccccc2)n1)c1cccc(-n2nc(O)ccc2=O)c1 64193563 HENNGLWZWVNYBT-UHFFFAOYSA-N 389.367 2.950 0 40 GFAB CC(C)(C)OC(=O)C1=NN(c2ccc(F)cc2)c2ncccc2S1(=O)=O 65184857 BOHLJYIGBLRSJL-UHFFFAOYSA-N 377.397 2.801 0 40 GFAB COc1cc(Br)cc(C)c1NC(=O)NCC(=O)NCc1ccco1 65771355 CKSYLYJDHBONNI-UHFFFAOYSA-N 396.241 2.797 0 40 GFAB Cn1c(-c2cc3n(n2)CCN(C(=O)c2c[nH]nc2C2CC2)C3)nc2ccccc21 67605634 KPEQTMWKAJVHIL-UHFFFAOYSA-N 387.447 2.693 0 40 GFAB O=C(N1CCCCC1)N1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 69926690 ZCCRAGHJUARMCR-KRWDZBQOSA-N 390.553 2.635 0 40 GFAB Cc1c(Cl)cccc1NC(=O)c1nnn(CC(=O)Nc2nccs2)c1C 71327159 POZDRGYXGSVSMX-UHFFFAOYSA-N 390.856 2.896 0 40 GFAB O=C(c1cccnc1)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 72346669 OYATVWGEUDOXQP-GOSISDBHSA-N 383.492 2.684 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353307 SQTFOAWQJLAXFO-MRXNPFEDSA-N 389.525 2.986 0 40 GFAB O=C(c1cc[nH]n1)N1CCN(Cc2ccccc2)C[C@H](Cc2ccccn2)C1 72355192 XWGBNMWZQMJCJL-IBGZPJMESA-N 375.476 2.622 0 40 GFAB COc1ccccc1Oc1cncc([C@@H]2CCCN2C(=O)c2ccnn2C)n1 72384227 KCVGQSWJHWCUBE-HNNXBMFYSA-N 379.420 2.988 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2ccccc2s1 72403206 JDBHJGAEDSYQNT-GFCCVEGCSA-N 390.490 2.722 0 40 GFAB Cn1nc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n(C2CC2)c1=O 77148540 NSRKHRRRINGFOO-UHFFFAOYSA-N 394.397 2.955 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 78806313 AEZQWQUKRVTYPY-MRXNPFEDSA-N 391.512 2.780 0 40 GFAB COC(=O)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cccn2)c(F)c1 78976220 BVCUFMREIMYWNH-QGZVFWFLSA-N 381.407 2.916 0 40 GFAB Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cccc(Br)c1 79105844 YBNCYRRLVQBSFH-UHFFFAOYSA-N 375.269 2.719 0 40 GFAB COc1ccc(CC(=O)N2CCO[C@H](c3noc(-c4ccccc4)n3)C2)cc1 96000865 DQDNNWPMRGENLY-SFHVURJKSA-N 379.416 2.888 0 40 GFAB COc1ccc2c(c1)cc(C(=O)N1C[C@@H]3C[C@H](C1)Cn1c3cccc1=O)n2C 96116474 ZDLNIEWALKLUFB-ZBFHGGJFSA-N 377.444 2.608 0 40 GFAB biogenic CCN1[C@H]2CCN(Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145732 ZCTFXWWCTIVVAI-ROUUACIJSA-N 387.505 2.518 0 40 GFAB Cn1nnc(-c2ccc(OCC(=O)N3CCC(c4ccccc4)CC3)cc2)n1 96230789 TXHHAEWCBGDDAG-UHFFFAOYSA-N 377.448 2.662 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1ccccc1F 96520903 AKLQOPRUUQYUHW-SECBINFHSA-N 390.068 2.737 0 40 GFAB N[C@@H]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 97019617 BRVPJHYOACOWOR-GFCCVEGCSA-N 376.810 2.530 0 40 GFAB C[C@@H]([C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOCC1 97212389 BRGDBBLYYXUXSW-NEPJUHHUSA-N 398.385 2.594 0 40 GFAB COC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc(C)c1C 102381808 DLSBLAMDKVBBPA-BETUJISGSA-N 392.477 2.655 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccccc3)CC1)C(=O)C2 103430290 OYXPRNMJUBJSIX-OXJNMPFZSA-N 376.522 2.534 0 40 GFAB CCOc1cccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219443010 NIFLWQMPFIMTGW-UHFFFAOYSA-N 388.445 2.649 0 40 GFAB COc1ccccc1NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220102126 HRGZFXMCXXYLOR-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB COc1cccc(CCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222459155 TXQSIHPTDBFSEN-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 224006023 UVFBKWUVQHVUIK-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463652 DGOJOBKVXMEEOL-JZXOWHBKSA-N 397.855 2.679 0 40 GFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1ccccc1F 257222036 DRQBDBYDQWUVTR-CZYKHXBRSA-N 398.478 2.991 0 40 GFAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257255258 KGUOJLWLNBOOTD-LJQANCHMSA-N 395.463 2.930 0 40 GFAB CCOc1cccc([C@H](O)CN(C)C(=O)c2sc3ncnc(O)c3c2C)c1 257287111 POOMDOHKOAEGIT-CQSZACIVSA-N 387.461 2.910 0 40 GFAB CCc1nccn1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257309689 UBYITQXZKJRMKO-WIYYLYMNSA-N 387.455 2.814 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1C 408598257 YMJWXCJHQQNCMV-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc(I)cc1)[C@H]1C=C[C@H]2C1 409388880 XANCEEMZYIGFQG-IMIFBBOLSA-N 379.197 2.598 0 40 GFAB Cc1nn(-c2ccccc2)cc1CNC(=O)N1CCOc2cc(O)ccc2C1 501840194 KJCBXNZAEGZHQU-UHFFFAOYSA-N 378.432 2.991 0 40 GFAB O=C(NCc1cc2n(n1)CCCO2)c1cc2ccc(OC(F)(F)F)cc2[nH]1 556941799 TZNJVKAZJCZXNQ-UHFFFAOYSA-N 380.326 2.976 0 40 GFAB Cc1cccc(COC[C@@H]2CN(C(=O)c3cccc(O)c3)Cc3ccnn32)n1 575405096 SAPCFGWDJYGAFQ-IBGZPJMESA-N 378.432 2.706 0 40 GFAB COc1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc(OC)n1 575603650 HQXAHAVHKYOIKT-UHFFFAOYSA-N 376.844 2.670 0 40 GFAB O=C(Cn1nc(C2CC2)ccc1=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 575620517 RPTZRTSUHVRPCH-OAHLLOKOSA-N 378.432 2.668 0 40 GFAB O=C(C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccc(F)cc1 581881798 LSHQAFHFOTWLAW-KRWDZBQOSA-N 390.480 2.933 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4ccsc4)CC3)[C@H]2C1 585106314 SJNYJINPLLQFOD-NXHRZFHOSA-N 389.565 2.518 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3ccc4c(c3)CCO4)C2)cc1 585148882 KLADHEOHXLQZQT-QGZVFWFLSA-N 387.457 2.586 0 40 GFAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2CC1(O)CCN(c2ccccc2F)CC1 585285100 WAPADKVZWASNRJ-NHCUHLMSSA-N 389.515 2.632 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 606440700 MOMGGHGVAFHOLU-HNNXBMFYSA-N 378.398 2.778 0 40 GFAB CC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](F)C2)CCS1 1611791027 TXMUNLOWCAIVPW-CABCVRRESA-N 395.548 2.984 0 40 GFAB C[C@H]1[C@@H](C(=O)O)CCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 1614992530 PODFPOQHUYZQBF-JSGCOSHPSA-N 393.486 2.906 0 40 GFAB O=C(c1cc2ccccn2c1)N1CCC(COc2ccc3nccn3n2)CC1 1888914141 RJCGYSARYICLFS-UHFFFAOYSA-N 375.432 2.913 0 40 GFAB COc1cccc2sc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2086887067 VXTAIKVWOZGTST-ZDUSSCGKSA-N 397.447 2.768 0 40 GFAB CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc2c1=O 905579 DMJBKZJBETXNMO-UHFFFAOYSA-N 397.456 2.934 0 40 GFAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 1984490 NNDBIBHBSMPAGZ-OAHLLOKOSA-N 394.427 2.778 0 40 GFAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cc(OC)ccc1OC 2486521 QLNJDRROIXPOJR-MRXNPFEDSA-N 376.434 2.527 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccccc1 3600465 MCEGAKCHTGUSGY-ZUOKHONESA-N 385.851 2.984 0 40 GFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ccc2c(c1)OCO2 3602534 OYPJQDYCCSYUMH-UHFFFAOYSA-N 399.384 2.925 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC3CCCCC3)CS[C@H]21 4074044 XEFFYGAARLTFDL-ORAYPTAESA-N 376.478 2.723 0 40 GFAB biogenic Cc1cccc(Cn2c(=O)c3c(nc4n(C(C)C)c(C)c(C)n34)n(C)c2=O)c1 4370581 HIDKUCXJUMWQOP-UHFFFAOYSA-N 379.464 2.704 0 40 GFAB Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4409486 NOJUHYYXRHIGBE-UHFFFAOYSA-N 376.442 2.925 0 40 GFAB CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)cc1 4585905 DOGGFJGMDHTGSJ-UHFFFAOYSA-N 387.417 2.791 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnnn2[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4697986 ZXNNAMQLLOBIED-LNSITVRQSA-N 387.465 2.552 0 40 GFAB Cc1sc2ncn(CC(=O)O[C@H](C(=O)NC(C)(C)C)C(C)C)c(=O)c2c1C 4982334 GAQXSRPICFOKBV-HNNXBMFYSA-N 393.509 2.557 0 40 GFAB COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 4982916 NMXBAMHZCNWDIP-UHFFFAOYSA-N 376.478 2.805 0 40 GFAB CSc1nnc(C2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)n1C 5001379 GNESDKWPTSCNBR-UHFFFAOYSA-N 385.537 2.844 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2cccn2C)sc2c1CCCCC2 5205024 QBOOCTDHTHDGEL-UHFFFAOYSA-N 390.461 2.938 0 40 GFAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 5529972 QJPCKAJTLHDNCS-CBXCNOKPSA-N 390.520 2.719 0 40 GFAB biogenic C[C@@H]1CN(C(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)C[C@@H](C)O1 5958308 BOCVOJJPNBBAQJ-IJLUTSLNSA-N 391.449 2.582 0 40 GFAB C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)NCc1ccc2c(c1)OCO2 5986400 ZTVCFPKAEQQVJQ-NSHDSACASA-N 395.444 2.736 0 40 GFAB CC(C)CNC(=O)COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 6945191 HMSBHMCTBLWDOT-UHFFFAOYSA-N 385.342 2.526 0 40 GFAB O=C(CSCc1ccc(Cl)cc1)OCn1nnc2ccccc2c1=O 6999941 WHLDTWWRGQWWBQ-UHFFFAOYSA-N 375.837 2.879 0 40 GFAB COc1ccccc1N1C(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 7718513 UEDYAEIEYVWGEE-HZPDHXFCSA-N 392.864 2.961 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 8355395 MAXCDLDTZRVXAV-GFCCVEGCSA-N 376.840 2.964 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)Nc2ccc(F)cc2)c(=O)[nH]c1=O 8429366 HPKXWNQSEYNAIY-UHFFFAOYSA-N 391.447 2.753 0 40 GFAB CCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 8429378 RIZBOYGNXHPYCD-UHFFFAOYSA-N 382.530 2.849 0 40 GFAB COc1ccc2c(c1)[C@H]1NC(=S)N[C@@](C)(O2)[C@@H]1C(=O)Nc1ccccc1C 8681021 OMEBMIFLGJRKPD-QKLQHJQFSA-N 383.473 2.886 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1F)c1cccc(Cl)c1 8810277 YWTJUTHLBCRKQW-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB COc1ccc(S(=O)(=O)Cc2nnnn2-c2cccc(C(F)(F)F)c2)cc1 9306022 AHIZXPYAPIGCFL-UHFFFAOYSA-N 398.366 2.664 0 40 GFAB O=C(CCC(=O)N1CCOCC1)Nc1nc(-c2c[nH]c3ccccc23)cs1 9727377 XKRLYDKCQQMUIL-UHFFFAOYSA-N 384.461 2.869 0 40 GFAB CCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10530005 AUVKEOWCPFUHED-CQSZACIVSA-N 382.482 2.532 0 40 GFAB COc1cc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc(OC)c1OC 10760477 RISSHSMHCRURRA-UHFFFAOYSA-N 387.432 2.733 0 40 GFAB COC(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1 12406060 CRTSWQCWPFVGPW-SFHVURJKSA-N 382.416 2.634 0 40 GFAB Cn1c(=O)c2c(SCCc3ccccc3)nc(C(C)(C)C)nc2n(C)c1=O 12780035 WBMDRQZUQCZXEM-UHFFFAOYSA-N 384.505 2.660 0 40 GFAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 12789051 QVKSFPSUDOEDJA-KUHUBIRLSA-N 388.489 2.535 0 40 GFAB Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cccc3s2)on1 13595925 MNZUTLVCMZYSFM-UHFFFAOYSA-N 390.440 2.711 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1ccc(C)cn1)C(F)(F)F 17241623 RAVPYNJBWLSZOT-QGZVFWFLSA-N 397.353 2.672 0 40 GFAB COc1cccc([C@H](NC(=O)c2ccnc(N3CCCC3)c2)c2nccn2C)c1 19291247 BOYIYOFGTARZPA-FQEVSTJZSA-N 391.475 2.943 0 40 GFAB COc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCSCC2)cc1 20098476 BYEJNSKTZJXOCU-KRWDZBQOSA-N 387.534 2.930 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C(=O)NC1CC1 21543567 OLPUIZNMKMUMCN-BFUOFWGJSA-N 379.412 2.965 0 40 GFAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 22287262 HPUJSSJSFWYASP-STQMWFEESA-N 394.459 2.872 0 40 GFAB COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 22332486 MXSFSDFONLSWQD-INIZCTEOSA-N 390.505 2.955 0 40 GFAB C[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1ccc(-n2ccnc2)cc1 23846861 ZVXZDCHGOGEXBI-MRXNPFEDSA-N 377.448 2.595 0 40 GFAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc(Nc2ncccn2)c1 24896710 CZLZIRQMJDSOIY-UHFFFAOYSA-N 383.433 2.844 0 40 GFAB O=C1COc2cc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)ccc2N1 24972003 KWQMAQZGUQJJAV-UHFFFAOYSA-N 380.400 2.611 0 40 GFAB COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1cccs1 25080105 VZXMLOPVZPMRII-HOCLYGCPSA-N 386.473 2.830 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1F 26359493 BMRDQPHLGHNLEX-QWHCGFSZSA-N 397.406 2.845 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCC(=O)NC(=O)NC(C)(C)C)C1 29650478 GBRBOCPPRVRZOL-HUUCEWRRSA-N 388.512 2.841 0 40 GFAB COc1ccc(-c2ccc(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)o2)cc1 31611242 PVPZUHUQPUTDTC-OAHLLOKOSA-N 377.462 2.533 0 40 GFAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1cccc(Br)c1 31669064 ZTZNTBQWZZJAGY-UHFFFAOYSA-N 383.267 2.520 0 40 GFAB CNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 31750112 OHJOGKFUFBJLCS-ZDUSSCGKSA-N 396.896 2.640 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(C(=O)c2ccoc2)CC1 32413311 DBLWGVOWDTURCE-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(N)=O)cc1 32741921 VTBDZAYGNAKJRV-UHFFFAOYSA-N 395.488 2.778 0 40 GFAB C[C@H](C(=O)N1CCN(C(=O)Nc2ccccc2)CC1)n1c(=O)oc2ccccc21 32885652 CUZHREDOGSJWEI-OAHLLOKOSA-N 394.431 2.532 0 40 GFAB CCN(CC)C(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O 35425159 JXKCCQIJGJDLFQ-UHFFFAOYSA-N 391.431 2.705 0 40 GFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC[C@H](C)Cn3cccn3)c12 36616429 XBHXTDXAHFBJLA-ZDUSSCGKSA-N 378.436 2.799 0 40 GFAB CCN(Cc1ccc(Cl)s1)C(=O)NCCCn1nc2n(c1=O)CCCC2 47160970 YZGNTXXYIACHCS-UHFFFAOYSA-N 397.932 2.718 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(-n4ccnc4C)nc3)ccc21 47275741 IHOLKYPKJCURBA-UHFFFAOYSA-N 388.431 2.866 0 40 GFAB C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCCCO2 48220797 DOTDZHDXARSRDH-CQSZACIVSA-N 381.494 2.773 0 40 GFAB O=C(Nc1ccnn1C1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 48342882 MVYVDVOXADJZSY-ZDUSSCGKSA-N 382.420 2.719 0 40 GFAB O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(OC(F)(F)F)c1 55630747 DXSCXRBPSVNUMU-ZDUSSCGKSA-N 391.371 2.762 0 40 GFAB CC(C)C[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1 57681201 VHBGOIPNHRPESU-GOSISDBHSA-N 384.532 2.878 0 40 GFAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 61553577 VLYFGMGVZMZTKD-OAHLLOKOSA-N 378.432 2.849 0 40 GFAB Cn1ncc2c(=O)n(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)cnc21 63534236 ZBOXWLIQGJEXJM-UHFFFAOYSA-N 377.191 2.535 0 40 GFAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H](O)C(F)(F)F 72313778 ZSILIDWDJZOOMF-GFCCVEGCSA-N 394.802 2.957 0 40 GFAB Cc1ccc(Cc2cccc([C@@H]3CCCN3CC(=O)N3CCOCC3)n2)cc1 72357631 GWJQUVGJAWSSAX-QFIPXVFZSA-N 379.504 2.977 0 40 GFAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72374845 CKBTULRNXJXFLD-QGZVFWFLSA-N 380.496 2.725 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](CCO)CC(C)C)ccc1C 78994956 SEXIKCFGYAFDBB-QGZVFWFLSA-N 398.569 2.800 0 40 GFAB COC(=O)[C@H](O)C1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 83884288 KQSDPANWSZMLKJ-OAHLLOKOSA-N 399.369 2.501 0 40 GFAB CCOC(=O)CN1CCC[C@@H](OC(=O)c2ccc(CN(CC)C3CC3)cc2)C1 84777443 MYEURXRTRDJGEV-HXUWFJFHSA-N 388.508 2.855 0 40 GFAB COC(=O)c1ccc(C(=O)NCCc2csc(-n3nc(C)cc3C)n2)cc1 90609304 QQADVZKCFLNSRA-UHFFFAOYSA-N 384.461 2.705 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCc1nc(-c2ccc(C)cc2)no1 95470737 RVXSIHURIMMLDA-UHFFFAOYSA-N 377.397 2.671 0 40 GFAB COc1ccc(OC)c(COC(=O)[C@@H](c2ccccc2F)N2CCOCC2)c1 95962629 YRRULFKIXMDIKG-HXUWFJFHSA-N 389.423 2.960 0 40 GFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(Oc2ccccn2)CC1 96024681 ZBBJLQSUFZHONH-HNNXBMFYSA-N 383.423 2.644 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100033301 JSNCTMPYZZLIKS-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100637010 NQFNXZYBAQVKDT-WJRACZLCSA-N 392.499 2.854 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102082774 XFZPBVOYCCNMOD-VFCLNGDNSA-N 378.472 2.803 0 40 GFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 217534335 HMCCVEHKZOPNBK-HKZYLEAXSA-N 393.443 2.583 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2cccc(Cl)c2)C1(CO)CO 218472955 FUCYFRQVLPNFRG-HZPDHXFCSA-N 387.284 2.904 0 40 GFAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223122532 NCNYQZDLLPBWTP-IBGZPJMESA-N 388.895 2.798 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 223888560 XSHLWSWGNLTDSK-HNNXBMFYSA-N 378.469 2.648 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 225496276 XQTOITCHKKIUAY-OAHLLOKOSA-N 388.489 2.829 0 40 GFAB COc1ccc(C)cc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225946544 DVMNSCFMPMXRHT-OAHLLOKOSA-N 380.441 2.762 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)CC1 257276963 NVXCKJDLHQRELU-DBXWQHBBSA-N 395.507 2.902 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 409204472 GWMIUBONEDQGRO-MRXNPFEDSA-N 390.505 2.801 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCOc2c(F)cccc21 556177954 ASMZIVOCYTUGEQ-ZWKOTPCHSA-N 376.453 2.964 0 40 GFAB COc1nc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(OC)n1 575605839 FVZNOWIPRDTTMD-UHFFFAOYSA-N 391.737 2.883 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575611163 AVNQNJMYEJWOGB-AWEZNQCLSA-N 388.276 2.767 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585183573 BXEBAFWXIBAZNJ-OAQYLSRUSA-N 379.504 2.552 0 40 GFAB Cc1cc(=NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)[nH]n1-c1cccc(C(F)(F)F)c1 652771068 UWGUFGDSOVXPHB-QWHCGFSZSA-N 394.397 2.852 0 40 GFAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 675008253 LYVFDNFUYKZHSY-ZDUSSCGKSA-N 376.459 2.536 0 40 GFAB COc1cccc([C@H](C)CC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)c1 1615548945 POEBJCBRNHNYHQ-QGZVFWFLSA-N 388.508 2.819 0 40 GFAB CCN1C(=O)C[C@H](C(=O)NCc2nc3cc(C)ccc3s2)[C@H]1c1nccn1C 1615590431 OYXJWIKICYIUBD-UGSOOPFHSA-N 397.504 2.564 0 40 GFAB COc1c(F)cc(S(=O)(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc1F 1663854351 LWGGLPWAVCUYBG-KRWDZBQOSA-N 393.415 2.890 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(Cc4cc(C)on4)CC3)c2F)cc1 1775972246 FBICOPRJFYGNDM-UHFFFAOYSA-N 383.427 2.910 0 40 GFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 47190176 YVLXYRLOAXWGLO-HZPDHXFCSA-N 398.525 2.779 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)C1 698851 BGGICLLFAFKUGP-IAGOWNOFSA-N 390.480 2.550 0 40 GFAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2cc(Br)c(C=O)n2C)C1 78822248 RKXZVTBRIMPSPC-FRRDWIJNSA-N 384.318 2.696 0 40 GFAB COC(=O)c1ccc(OC(=O)C(C)(C)CNC(=O)OC(C)(C)C)c(OC)c1 79094676 BQUKDXWXNBDZHO-UHFFFAOYSA-N 381.425 2.938 0 40 GFAB COc1cccc(-c2cnc([C@H]3CCCN3CCN3C(=O)NC(C)(C)C3=O)[nH]2)c1 79058806 UZRDMMMTPUDLDN-QGZVFWFLSA-N 397.479 2.553 0 40 GFAB C[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 941621 AHPNPPMYNRXBFF-LLVKDONJSA-N 386.791 2.506 0 40 GFAB Cn1cc(CCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 79488254 WQKFRASBRADHHQ-UHFFFAOYSA-N 377.370 2.764 0 40 GFAB CCOC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 2134094 HSYXIEOTZUJZPZ-HOCLYGCPSA-N 381.432 2.676 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)c1 3538237 UQTFXVYDRPSGOV-UHFFFAOYSA-N 382.825 2.571 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 6182699 CBUZDLPJRSYIDQ-UHFFFAOYSA-N 386.395 2.788 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(F)cc3F)=C2)cc1 6800257 LJSVIZGLZJPIMS-UHFFFAOYSA-N 391.399 2.775 0 40 GFAB CCN1CCN(c2ccccc2NS(=O)(=O)c2cc(F)cc(F)c2)CC1 12508308 OBBAISSYVYGIDH-UHFFFAOYSA-N 381.448 2.908 0 40 GFAB CCOc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1 51316855 VWARAXXZGBKOSE-UHFFFAOYSA-N 395.444 2.657 0 40 GFAB O=C(Cn1cc(I)cn1)Nc1ccc(F)c(Cl)c1 1432976 DMZSBMMBJNCLGG-UHFFFAOYSA-N 379.560 2.919 0 40 GFAB C[C@H]1CCCN(CCCCNC(=O)Nc2ccc(N3CCOCC3)nc2)C1 48069598 QMYOBFJCTVKSDA-KRWDZBQOSA-N 375.517 2.552 0 40 GFAB CCN(CC)C(=O)CN(C)C(=O)CCCOc1ccccc1Br 48067917 CVZFHZUPCZCTIP-UHFFFAOYSA-N 385.302 2.935 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 58171291 ALXMGYWOBKTYTC-KRWDZBQOSA-N 394.431 2.697 0 40 GFAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1nc(-c2ccccn2)cs1 72406020 FQQQHDHCQXZAGM-UHFFFAOYSA-N 393.428 2.568 0 40 GFAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccc(F)cc1F 58407018 QXGADALZFJRLHL-LLVKDONJSA-N 384.386 2.838 0 40 GFAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1cccc(Cl)c1 51316865 PUDPBRBHXQCFFI-UHFFFAOYSA-N 385.836 2.912 0 40 GFAB C[C@@H](CNC(=O)NCc1ccc(-n2ccnc2)nc1)N1CCc2ccccc21 28397352 KMHOVPNAGFAWDY-INIZCTEOSA-N 376.464 2.518 0 40 GFAB CCN(C(=O)COC(=O)COc1ccc2ccc(=O)oc2c1)C1CCCCC1 10990203 XXMSMXOVVLTRNI-UHFFFAOYSA-N 387.432 2.896 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 36689233 JKSOCWDIYKJXPR-DNVCBOLYSA-N 379.460 2.589 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 12801576 PTSSZVSZAFGRPC-SFHVURJKSA-N 376.522 2.999 0 40 GFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2ccccn2)Oc2ccccc21 100180513 RZRXQZIPABIJGK-WHZNHKCRSA-N 377.444 2.653 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2CCN(c3ncc(C)cn3)C[C@H]2c2cnn(C)c2)cc1 306124028 BDKWKNVRIBFNJF-VQTJNVASSA-N 390.491 2.619 0 40 GFAB CCOc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)C(C)C 3517728 IIXMJNRYAYRONA-HXUWFJFHSA-N 398.459 2.885 0 40 GFAB CCN(C(=O)c1cc(C)sc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9156133 YIWYROAUJUSTLA-UHFFFAOYSA-N 398.488 2.512 0 40 GFAB COC(=O)c1cc(CNC(=O)c2cccc(CN3CCCC3=O)c2)ccc1OC 13000182 SZLXGFXGKLIWRR-UHFFFAOYSA-N 396.443 2.534 0 40 GFAB CSc1ccc(N2C[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)CC2=O)cc1 13014724 WTXOEDKNCMNTPW-HOCLYGCPSA-N 398.484 2.718 0 40 GFAB CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@@H](C)CC 13096455 RQQNGKVQUFKKBR-BTYIYWSLSA-N 387.480 2.643 0 40 GFAB Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@@H]3CCOC3=O)nnc12 6268515 FWCFUMFYSPJMEG-MRXNPFEDSA-N 392.440 2.749 0 40 GFAB CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 9341466 BGFXBPHCDHXNMH-SFHVURJKSA-N 394.475 2.682 0 40 GFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc2c(c1)OCO2 14240726 GEWPLVZTWXBXSI-GOSISDBHSA-N 390.386 2.764 0 40 GFAB O=C1CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccc(F)cc1 67897176 JMLWGMAKFOPVHH-MOPGFXCFSA-N 376.378 2.716 0 40 GFAB biogenic,in-vitro CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3ccccc3oc2=O)c1C 5863847 AVLSKKLOJWZJGO-UHFFFAOYSA-N 397.383 2.954 0 40 GFAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCc1cccs1 6941430 LKSXNNTZGWPGLM-HNNXBMFYSA-N 378.519 2.925 0 40 GFAB CSCC[C@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)c2ccccc2C1=O 5919096 LADXZDSXBOYKEA-MRXNPFEDSA-N 398.440 2.741 0 40 GFAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)[C@H]1CSc2ccccc2O1 71847891 QVIQFIZXJVYXGP-MRXNPFEDSA-N 379.441 2.835 0 40 GFAB CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 16093053 CXTSTIUDSVSISU-UHFFFAOYSA-N 383.466 2.603 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3n[nH]c4ccccc34)ccc21 16750062 OGNBCYQSODXHAN-GFCCVEGCSA-N 377.400 2.900 0 40 GFAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC(CN2CCc3ccccc32)CC1 95957474 SWBUYHHLRXJQTN-UHFFFAOYSA-N 377.488 2.779 0 40 GFAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1c[nH]c2ccccc12 8313510 NIRIHKIMMSKKKW-LLVKDONJSA-N 391.474 2.503 0 40 GFAB CCc1ccc(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 22609177 WMPAGLFSHYGSPS-IBGZPJMESA-N 394.471 2.956 0 40 GFAB COc1cc(CN2CCc3cc(S(N)(=O)=O)ccc32)ccc1OC(F)F 8780478 VXWZFJHDIOQDGX-UHFFFAOYSA-N 384.404 2.507 0 40 GFAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc3c(c2)OCO3)C(=O)N1 72333291 IEKOREVTFGEISQ-JLTOFOAXSA-N 382.372 2.972 0 40 GFAB Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1Cl 76094537 GNEKQHWEAOSGIV-MRXNPFEDSA-N 377.916 2.807 0 40 GFAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20453685 YIEIZCIRSVDXLM-UHFFFAOYSA-N 393.484 2.948 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)c(C)c1 20022210 DYJAVZJVZDBNRN-UHFFFAOYSA-N 398.431 2.979 0 40 GFAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31485265 GUROZZJRDJALOP-QGZVFWFLSA-N 390.480 2.885 0 40 GFAB O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 78654537 GECVRRIBCCNEPS-ICSRJNTNSA-N 385.485 2.652 0 40 GFAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cccnc4)C3)n2)n1 72382487 NLGRCLZJYKLHKY-KRWDZBQOSA-N 389.463 2.960 0 40 GFAB Cc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 223939233 VBQQLZBVMUDJEX-UHFFFAOYSA-N 396.538 2.742 0 40 GFAB COc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 225166231 VHBVUANVSFTLTF-INIZCTEOSA-N 397.880 2.973 0 40 GFAB O=S(=O)(Nc1ccc(I)cc1)c1cncc(F)c1 44261339 XOWGJTYVTHUGMN-UHFFFAOYSA-N 378.166 2.626 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)s2)cc1 224229238 LUXPZZFHQHZNBM-MRVWCRGKSA-N 392.506 2.566 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1nc2ccccc2s1 44891658 QZGFWPGSMOKEQW-UHFFFAOYSA-N 395.488 2.767 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCc2cccc(OC(C)C)c2)C1 222614482 LUFGEJDSCZARFF-GOSISDBHSA-N 396.553 2.584 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc3cc(OC)c(OC)cc3n2C)sc1C 96117290 IEKGGJIEHNAYNH-UHFFFAOYSA-N 389.433 2.999 0 40 GFAB Cn1nccc1C(=O)N1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 257251664 JRQFTAGPOCDRDI-WFXMLNOXSA-N 384.455 2.964 0 40 GFAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257216736 CVWBXDHSOZWIQC-CQSZACIVSA-N 395.554 2.884 0 40 GFAB COC[C@H]1CCCN1C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O 253399680 JTXSNVCNAZKOEW-GXTWGEPZSA-N 390.436 2.663 0 40 GFAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2[nH]nc(C3CC3)c2C)cc1 64347552 BSENPXRFZDORCW-UHFFFAOYSA-N 376.482 2.878 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](Cc3cc(-c4c(C)noc4C)ncn3)C2)cn1 257334728 YHDDHUQDBWWPGS-HNNXBMFYSA-N 378.436 2.552 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2cc[nH]n2)C1 257235725 GZCLISRUKVKFRU-HNNXBMFYSA-N 381.484 2.917 0 40 GFAB Cn1cncc1-c1cncc([C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257240970 HVZSGRGQYCWMSC-OAHLLOKOSA-N 387.447 2.773 0 40 GFAB O=C(Nc1ccn(C2CCOCC2)n1)Nc1ccc(F)cc1N1CCOCC1 667228698 KJPXUYUHLWIIDO-UHFFFAOYSA-N 389.431 2.854 0 40 GFAB C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)C1 623194540 HXYNEUUPOUQROT-FZMZJTMJSA-N 375.436 2.991 0 40 GFAB O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)[C@H]1COc2ccccc2O1 96121720 OFBBOCSEAUIIQT-OAQYLSRUSA-N 390.443 2.779 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCC(c2nccnc2Nc2ncccn2)CC1 585291727 FJDJWUXWBPMPSI-BQYQJAHWSA-N 386.459 3.430 0 40 GFAB O=C(NCCCc1ccccc1)NCC1(N2CCOCC2)CCSCC1 1776008301 AJSBIHUKTMPHKX-UHFFFAOYSA-N 377.554 2.516 0 40 GFAB COc1ccccc1-c1cc(C(=O)Nc2ccc(CN3CCOCC3)cn2)[nH]n1 95976303 LHIWBSABHWITMR-UHFFFAOYSA-N 393.447 2.565 0 40 GFAB COc1cccc(C2(C(=O)N3CCC[C@H](C(=O)NCC(F)(F)F)C3)CC2)c1 585081875 TYZGLEAPRWERLI-ZDUSSCGKSA-N 384.398 2.644 0 40 GFAB O=C(Cc1cccs1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615159077 SOMIBNGRSKEENE-UHFFFAOYSA-N 388.464 2.854 0 40 GFAB Cc1cc(CN2C(=O)CC3(CCN(Cc4ccncc4)CC3)n3nccc32)no1 1772596470 KDZDBUYLOZWKHQ-UHFFFAOYSA-N 392.463 2.503 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 15433944 QWFXPLXNJRAMLG-HOTGVXAUSA-N 394.537 2.600 0 40 GFAB O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19014527 IFKPUVIUSVTEBX-INIZCTEOSA-N 384.524 2.577 0 40 GFAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)CCC3CCCC3)c3ncccc23)C1 19016523 NKEYSDZLZLYYFL-SFHVURJKSA-N 397.523 2.854 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 19132707 AXCJTLDZKQPVEQ-QZTJIDSGSA-N 394.519 2.913 0 40 GFAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2cc[nH]n2)c1 19566619 GKCVNBPNXDLFII-UHFFFAOYSA-N 388.431 2.774 0 40 GFAB COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19696196 ABMBYBYYZRJEGA-SFHVURJKSA-N 394.475 2.574 0 40 GFAB COc1cccc([C@@H]2CN(C(=O)c3cccnc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712855 DKDOELMOVPSWKH-ZVDOUQERSA-N 379.460 2.757 0 40 GFAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)NCCc1ccccc1 19819085 CDQRWCNNJFFOTH-LJQANCHMSA-N 392.455 2.845 0 40 GFAB COc1ccccc1CC(=O)N1CC[C@H](c2cc3nc(C)c(C)c(O)n3n2)C1 12255132 KIPRPYKWADJABN-INIZCTEOSA-N 380.448 2.619 0 40 GFAB COc1cccc(N2CCN(C3CCN(C(=O)c4c(C)noc4C)CC3)CC2)c1 252490962 LGPKJCKLBYEUMP-UHFFFAOYSA-N 398.507 2.727 0 40 GFAB Cc1scc(C(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1C 19561835 MBJNIPZHSDCFGH-UHFFFAOYSA-N 397.500 2.742 0 40 GFAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccnc(O[C@@H]2CCSC2)c1 240122572 WDEKOHTUSQRRSZ-CQSZACIVSA-N 381.498 2.611 0 40 GFAB COC(C)(C)C(=O)N1CCO[C@@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037834516 MOVJBZDYGWMOOB-CQSZACIVSA-N 376.482 2.915 0 40 GFAB O=C(CC1CC1)NC[C@H]1CCC[C@]2(CCN(C(=O)c3cccc(Cl)n3)C2)O1 1565555232 BXRLOYBVWSYTFM-FOIQADDNSA-N 391.899 2.805 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(F)cc3)n2)cc1 13795871 AIVFAGXWOJFFNJ-UHFFFAOYSA-N 381.407 2.878 0 40 GFAB O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 25368366 RWPGACKHRQYMBG-UHFFFAOYSA-N 396.871 2.767 0 40 GFAB Cc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)N2CCOCC2)o1 40018109 XLHDAYDXKZGMEB-GOSISDBHSA-N 382.464 2.587 0 40 GFAB O=C(c1ccc(Br)cc1F)N1CCC(CN2CCOCC2)CC1 40118908 GZFDGQYGKWTVQX-UHFFFAOYSA-N 385.277 2.773 0 40 GFAB Cn1cc(-c2nc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cs2)cn1 40144917 WLFNGOHAYUUEBZ-UHFFFAOYSA-N 378.461 2.718 0 40 GFAB O=C(Nc1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1)c1cccnc1 32815233 ZGUBQILELRKXQC-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB COC(=O)c1ccccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 32904701 VXNWBLOTROLJKX-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB Cc1c(C(=O)Nc2ccc(-n3cncn3)nc2)cnn1-c1ccc(F)cc1F 33008205 KFXXIJRUZHZGHE-UHFFFAOYSA-N 381.346 2.687 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 2124490 PWQJGKWSQWDISB-CZUORRHYSA-N 375.421 2.573 0 40 GFAB biogenic CN(c1nc2ccccc2n2c(C3CC3)nnc12)S(=O)(=O)c1ccccc1 2213980 DCMFCKOBNLFWJK-UHFFFAOYSA-N 379.445 2.980 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccccc3F)ccc12 3248168 LQRQFQUFIWGJOH-UHFFFAOYSA-N 385.347 2.801 0 40 GFAB COc1ccc(CCN(C)C(=O)COC(=O)c2cccc(C)c2O)cc1OC 3285909 XZOFHWRRVHVWOR-UHFFFAOYSA-N 387.432 2.576 0 40 GFAB COC(=O)c1cc(NC(=O)CN[C@H]2CCCc3ccccc32)cc(C(=O)OC)c1 3289401 IRMQPJSPNBPEGX-IBGZPJMESA-N 396.443 2.866 0 40 GFAB CC(C)(C)c1ccc(NC(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)cc1 3369538 QPZOQWWQJDDGTF-UHFFFAOYSA-N 393.447 2.820 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)c1 3399754 BRIYPIULTVUZDB-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COc1ccc(-c2nnn(CC(=O)N[C@@H]3CCCc4ccccc43)n2)cc1OC 3431414 KAQXYPAPGYPKHV-QGZVFWFLSA-N 393.447 2.551 0 40 GFAB CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 3514869 WVVDAUOEQJYERF-UHFFFAOYSA-N 396.472 2.550 0 40 GFAB NC(=O)CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12 4060995 KKPULEFXFVRESH-UHFFFAOYSA-N 389.427 2.927 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4085113 WIFMASPOFKHPPC-NSOAYMTKSA-N 376.478 2.651 0 40 GFAB biogenic CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 4386551 NAZRLRIUGTYSDD-UHFFFAOYSA-N 379.464 2.533 0 40 GFAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc(C)c1C 4570478 XEOBTSJCIMVZJU-UHFFFAOYSA-N 396.490 2.654 0 40 GFAB O=C(COc1ccccc1N1C[C@@H](C(=O)O)CC1=O)Nc1ccc(Cl)cc1 4573406 VTEBNADQXPDJHA-LBPRGKRZSA-N 388.807 2.795 0 40 GFAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc([C@@H]4CNC(=O)C4)cc3)cc2)n1 4727360 HFJRSGKIPXOHFI-INIZCTEOSA-N 396.472 2.585 0 40 GFAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1nncs1 4816347 WBIHOIGIUIEFGT-UHFFFAOYSA-N 390.494 2.768 0 40 GFAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O 4849514 GXDOCXYSZYPTFA-UHFFFAOYSA-N 398.488 2.830 0 40 GFAB COc1ccc(C(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC 4998161 GEIRCDBPUYMCLU-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB Cc1cccc(C[C@H](CC(=O)Nc2nncs2)C(=O)Nc2nncs2)c1 5000412 QVEIPQCAFPCLJM-GFCCVEGCSA-N 388.478 2.524 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCc3nc4ccsc4c(=O)[nH]3)CC2=O)cc1 5174173 PSYAWPGUJZUZNT-CYBMUJFWSA-N 397.456 2.643 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1CSc1nc(C)cs1 5426657 QRQBSHKEXPQWJT-NSHDSACASA-N 393.490 2.745 0 40 GFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C 6058964 JTWLXYWNBYAJGM-CQSZACIVSA-N 397.406 2.808 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6395101 GHKRIFHMZGWEFY-CQSZACIVSA-N 382.416 2.766 0 40 GFAB CS(=O)(=O)Cc1cccc(C(=O)OCc2cn3cc(Cl)ccc3n2)c1 6935000 XTDHDCOGDIPEGW-UHFFFAOYSA-N 378.837 2.889 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7130442 NRQAQQVPSQGCGR-RKDXNWHRSA-N 380.495 2.859 0 40 GFAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 7808178 HQJXXCNREIPZIK-SFHVURJKSA-N 395.484 2.727 0 40 GFAB O=C(CNC(=O)c1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1 7990338 GJJHBXYGHDLXCK-UHFFFAOYSA-N 385.895 2.851 0 40 GFAB CCn1c(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)nnc1C1CC1 8185685 USJSWBILRVJACI-AWEZNQCLSA-N 388.493 2.566 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Br)cc1F 8938554 KWAYCKWEAYIDDE-UHFFFAOYSA-N 382.214 2.998 0 40 GFAB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 9592656 JDFXHKWYDGPDSL-NSHDSACASA-N 385.497 2.989 0 40 GFAB C[C@H](NC(=O)c1ccco1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10769876 CMCISJXSEAIWST-HNNXBMFYSA-N 398.459 2.797 0 40 GFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc2ccccc2[nH]c1=O 10894447 RHXZUBOSDPLLEG-UHFFFAOYSA-N 384.819 2.925 0 40 GFAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10968066 XWVPUZVOAXIVNQ-CQSZACIVSA-N 389.473 2.939 0 40 GFAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4noc5c4CCCC5)C[C@@H]32)Nc2ccccc21 12086083 ZQULGVCYNQYOHP-DHZVRSILSA-N 392.459 2.587 0 40 GFAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)Nc3nccs3)C2)on1 12118378 DHHPGOOQKQVZMT-ZDUSSCGKSA-N 384.465 2.715 0 40 GFAB CC(C)CN1C(=O)N[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O 12401441 YCFXAMNSVPTGLO-INIZCTEOSA-N 377.407 2.930 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@@H](C)C2CC2)c1 12553460 QHPYBIUFPHSXAX-HNNXBMFYSA-N 393.553 2.846 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)Cc2nc(N)nc(Nc3ccccc3)n2)c1 12557424 LMXNLBNEHPMXDZ-UHFFFAOYSA-N 391.479 2.885 0 40 GFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1ccc(Cl)cc1F 12606468 VGQIIJYAKYXBJH-JTQLQIEISA-N 397.859 2.516 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 12897101 QOJRGPGLXQMNOE-INIZCTEOSA-N 396.422 2.951 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1I 12998300 FPQHUIYIXUEFLD-UHFFFAOYSA-N 391.172 2.519 0 40 GFAB COc1ccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1C(=O)O 13393234 GYUBTUVQCOQWPB-UHFFFAOYSA-N 391.807 2.677 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)NCc3ccccc3)n2)cc1 13604263 XAUOTSFWDHBLAS-UHFFFAOYSA-N 392.459 2.808 0 40 GFAB O=C(CCCNC(=O)NC1CCCCC1)NCc1ccccc1Cn1cccn1 14899920 QOCWJNFYUYNCIZ-UHFFFAOYSA-N 397.523 2.960 0 40 GFAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1cnn(Cc2ccccc2)c1 15508969 CTOFGGXUCWLQDT-HXUWFJFHSA-N 391.475 2.560 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1Cl 16188582 CYAXFNYIONIGOI-UHFFFAOYSA-N 396.896 2.628 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccn4)CC3)CC2=O)c1 16637599 HQXHCNPSPBSVNK-MRXNPFEDSA-N 396.516 2.505 0 40 GFAB CCOc1cccc2c(C)nc(NC3=NCN(Cc4ccccn4)CN3)nc12 19330698 RBCBNOFISVMXJQ-UHFFFAOYSA-N 377.452 2.520 0 40 GFAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCOCC2)n1 19573641 VVWBYUHHYOHWED-DNVCBOLYSA-N 390.915 2.732 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)n3)cc2N1 19574803 CWTLXPLGQCHNRW-LERXQTSPSA-N 382.390 2.901 0 40 GFAB COc1cccc(CNCc2cc(N(C)C)nc(-c3cccnc3)n2)c1OC 19584536 ZSFAOMFFSGCEOO-UHFFFAOYSA-N 379.464 2.912 0 40 GFAB COc1ccc(CN2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1OC 19588674 WXQCPDGJSUVQJL-QGZVFWFLSA-N 382.508 2.861 0 40 GFAB Cc1nc([C@@H]2CCCCN2CC(=O)N(C)C)ncc1C(=O)Nc1ccccc1 19756022 AVRAWWOSJVMESC-SFHVURJKSA-N 381.480 2.653 0 40 GFAB CCN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19930008 OMRDJEIEXWABST-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB COc1cccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 20459139 HVRSDRRVSNEXGC-LJQANCHMSA-N 388.489 2.655 0 40 GFAB Cc1cc(C)cc(N2C(=O)C[C@@H](Sc3nnc4nc(C)cc(C)n34)C2=O)c1 20799439 SXZSGELMIPSBRH-OAHLLOKOSA-N 381.461 2.782 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C1 20902816 MALXQFJDEICDIX-AWEZNQCLSA-N 375.400 2.610 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 22749167 RDSRUZKIYHQXKV-UHFFFAOYSA-N 380.444 2.704 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22788315 SSHHFAUPTKILGS-PBHICJAKSA-N 396.329 2.573 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cn(Cc3ccccc3)nn2)c1 24362209 ZQDZFBXRLGRHCU-UHFFFAOYSA-N 390.852 2.636 0 40 GFAB CCn1ncc(Br)c1C(=O)N1CCN(c2ccccc2OC)CC1 28223847 QCTRITKTNBOWGC-UHFFFAOYSA-N 393.285 2.637 0 40 GFAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 32745352 DWIXATKQGVYWGO-NRFANRHFSA-N 397.500 2.662 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccccc2)cc1 32855739 HZSDKLGARMMIEA-UHFFFAOYSA-N 375.494 2.514 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3cc2OC)NC(=O)N[C@@H]1C 32896030 GJVUYQFWALFCKC-GFCCVEGCSA-N 398.415 2.524 0 40 GFAB Cc1nn(CC(C)C)c2sc(C(=O)N3C[C@H](C(N)=O)Oc4ccccc43)cc12 32986136 YRGWRTIGTUPGOR-MRXNPFEDSA-N 398.488 2.955 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CC[C@H]1N=C(O)N(Cc2ccco2)C1=O 36593250 AUGCXNDYWSFADM-CRAIPNDOSA-N 383.448 2.822 0 40 GFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC[C@@H](C)Cn3cccn3)c12 36616428 XBHXTDXAHFBJLA-CYBMUJFWSA-N 378.436 2.799 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1c3c(nn1-c1ccccc1)CCC3)CS2 40023508 VOGZNZCDEWKBPR-JXFKEZNVSA-N 382.489 2.754 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC1CCCC1 44373522 YLATYFWXKBRNMC-UHFFFAOYSA-N 380.510 2.565 0 40 GFAB COC(=O)CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 48623195 GHULGCPYLOPNRQ-CVEARBPZSA-N 377.437 2.778 0 40 GFAB CC(=O)N[C@H](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 52921197 PFYYIVXYFBBQBL-QGZVFWFLSA-N 394.880 2.950 0 40 GFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccnc(-n3ccnc3)c2)c1 54628998 LTAYDHWXYBEGBW-RDTXWAMCSA-N 375.432 2.792 0 40 GFAB COc1ccc([C@H]2CCN(C(=O)NCc3ccc(-n4cccn4)nc3)C2)cc1 58227481 RIISTQFGJOMVQU-SFHVURJKSA-N 377.448 2.975 0 40 GFAB CC[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 59824299 WLABPGCFHXWMJU-INIZCTEOSA-N 375.446 2.742 0 40 GFAB CCOc1ccc(C[C@H](CNC(=O)COc2ccccc2Cl)C(N)=O)cc1 65562687 MECGQELLOVEDQS-OAHLLOKOSA-N 390.867 2.578 0 40 GFAB O=C(Nc1cccc(Br)c1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641401 AKXDZYXJBRWYFB-INIZCTEOSA-N 389.249 2.815 0 40 GFAB COc1cc2c(cc1CN1CCc3nnc([C@H]4CCCNC4)n3CC1)CCCC2 72370901 NWVIHVDQOUHBOW-IBGZPJMESA-N 395.551 2.691 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 84041175 GVANMTYSJKCUEY-HNNXBMFYSA-N 387.910 2.713 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CN1CCCc3sccc3C1=O)OCO2 89291964 VXCRLWHQGIYWQA-UHFFFAOYSA-N 386.429 2.707 0 40 GFAB COc1ccc(C(C)=O)cc1C[S@@](=O)CC(=O)N(C)Cc1ccc(C)o1 89652947 XVXDRYGJQKUNDJ-SANMLTNESA-N 377.462 2.707 0 40 GFAB Cc1[nH]ccc1C(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91644156 MFJMAWFTNNRNIF-UHFFFAOYSA-N 379.468 2.514 0 40 GFAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@H](c4n[nH]c(C)n4)C3)n2)n1 95966362 PMSNWVFCRPNDCB-AWEZNQCLSA-N 399.886 2.984 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2csc(C(C)C)n2)C1 96000136 DQCISBIYZFDOTL-ZDUSSCGKSA-N 377.514 2.954 0 40 GFAB Cc1nc(CN2CCN(C)C3(CCN(Cc4ccsc4)CC3)C2=O)cs1 96050104 IKRXBDQOKAGCFZ-UHFFFAOYSA-N 390.578 2.822 0 40 GFAB O=C(NCCc1ccccc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099539 VLNFGCCYFOGFIH-UHFFFAOYSA-N 376.478 2.611 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 96496969 BHCAYWNRGCOWLO-JOCHJYFZSA-N 379.504 2.918 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)N1C[C@@H]2CCC[C@@H](C1)C2N1CCOCC1 100214201 YYVLPOFYQQLLFM-HOTGVXAUSA-N 398.956 2.603 0 40 GFAB COc1cc2ncn(CC(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2cc1OC 100791427 VDERAWINFXGSAJ-RCDICMHDSA-N 399.491 2.841 0 40 GFAB CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(F)cc2)N2CCCN32)cc1 100980152 HNVIFFAQTNUKSF-AQNXPRMDSA-N 379.435 2.924 0 40 GFAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)CC[C@H]3CCCO3)ccc2c1=O 102043481 KVFUDCGVNDOCDO-GXTWGEPZSA-N 375.494 2.783 0 40 GFAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCN(c2nccs2)CC1 195563885 DASNRJNGYIFZAE-OKZBNKHCSA-N 377.554 2.635 0 40 GFAB Cc1cc(C(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1NS(C)(=O)=O 216373684 NGRNRTZBEWRYAI-UHFFFAOYSA-N 398.488 2.791 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222418881 OXCCGOIYMVSMFC-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB CCc1ccc(OCCNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 224217714 VMVOAYLWGMKEDT-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB COc1cc(NC(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc(OC)c1 224305168 CRQROIVUDAPWBC-UHFFFAOYSA-N 387.440 2.591 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccc(F)cc1 224814791 FLWNZWANKARVHY-UHFFFAOYSA-N 380.441 2.702 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)c(C)c1 225589518 JKBUPMIDFJKILQ-GOSISDBHSA-N 393.486 2.873 0 40 GFAB CN(c1ccc(CC(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccccc1 225980326 FYTMCFFVIFPWRB-UHFFFAOYSA-N 395.484 2.766 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 244909695 ARVQPINMWDVCQL-GOSISDBHSA-N 390.509 2.584 0 40 GFAB C[C@H](OC(=O)[C@H](C)OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)O 252012292 STRXWPMOCADHPH-KKUMJFAQSA-N 398.411 2.969 0 40 GFAB Cc1cc(C)c2[nH]c(CCC(=O)N[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)nc2c1 257218017 DBNSIINUWBSYAS-RADWXHQJSA-N 395.507 2.888 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2nnc(-c3cnccn3)o2)c1 257297495 RHMSSDVXSJKKER-INIZCTEOSA-N 395.419 2.911 0 40 GFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)c2ccnn2C)c1 257303909 SJGQIEFWHIIDIG-IPJJNNNSSA-N 396.491 2.833 0 40 GFAB O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 306127209 FRTOSPSGMUCZGN-UHFFFAOYSA-N 397.498 2.786 0 40 GFAB CN1CCN(c2nc3c(s2)CN(Cc2cnn(C)c2)Cc2ccccc2-3)CC1 306133281 MHJKVDGMDJCBCE-UHFFFAOYSA-N 394.548 2.811 0 40 GFAB Cn1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)cn1 306135687 OXVGPEIAVGLFOT-QFBILLFUSA-N 385.514 2.904 0 40 GFAB COc1ccc(Br)c2c1C(=O)[C@H]([C@@]1(O)C(=O)Nc3ccccc31)C2 408569750 XOJWSJQCNKXJLZ-ADLMAVQZSA-N 388.217 2.653 0 40 GFAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc(Cl)cc1 409227473 ZAKWSUBHXLTTGC-UHFFFAOYSA-N 384.775 2.565 0 40 GFAB CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)O)cn3)C2)cc1 547597833 QCZNPVHMLUXDLE-KRWDZBQOSA-N 391.493 2.806 0 40 GFAB O=C1COC[C@@H](C[C@H]2CN(C(=O)Cn3ccc4ccccc43)c3ccccc32)N1 554058369 IUIIRJSBNCSFIO-ZWKOTPCHSA-N 389.455 2.677 0 40 GFAB Cc1cccc(Cl)c1N1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 585083459 JWMKQURSADFKSA-MRXNPFEDSA-N 387.915 2.726 0 40 GFAB CC(C)(C)OC(=O)NC1(CNC(=O)C(F)F)CCN(Cc2ccccc2)CC1 585087207 PGIPGKQAECSKLE-UHFFFAOYSA-N 397.466 2.927 0 40 GFAB COc1ccc(-c2nn(CCNC(=O)c3cccc(C)c3)c(=O)n2C2CC2)cc1 585199970 FVODKLZVBPWMFC-UHFFFAOYSA-N 392.459 2.794 0 40 GFAB C[C@@H]1CC[C@H](NC(=O)NCc2nc(-c3ccccc3F)cs2)CS1(=O)=O 664773686 HVBRYWKWSWFXOV-NEPJUHHUSA-N 397.497 2.714 0 40 GFAB COc1cccc(C2(NC(=O)NC[C@@H]3CCO[C@H]3c3cnn(C)c3)CCC2)c1 665145494 NPHZTAUAGNLYLJ-HNAYVOBHSA-N 384.480 2.885 0 40 GFAB CC(=O)N1CC[C@]2(CN(Cc3ccsc3)CCN(C(=O)C3(F)CCC3)C2)C1 1614937473 MFTXKIJXPVHXGT-IBGZPJMESA-N 393.528 2.523 0 40 GFAB CCc1ncnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)c1F 2298049612 PSZRBCNZISIKHF-UHFFFAOYSA-N 386.475 2.884 0 40 GFAB COc1cc(-c2nnc(SCCN3CCCCC3)n2C)cc(OC)c1O 919852 YXFDRLAQNMYIIS-UHFFFAOYSA-N 378.498 2.783 0 40 GFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1ccccc1 3602585 CAFIBKXPNAIFAE-UHFFFAOYSA-N 383.429 2.916 0 40 GFAB CC(C)(C)c1nn2c(SCC(=O)Nc3ccccc3Cl)nnc2nc1O 4251437 VVWTXMOCNDQVNX-UHFFFAOYSA-N 392.872 2.907 0 40 GFAB O[C@]12C[C@@H](C(Cl)(Cl)Cl)O[C@]1(O)C[C@H](C(Cl)(Cl)Cl)O2 4416920 ILZPXCIRVHHHJM-FBXFSONDSA-N 380.866 2.682 0 40 GFAB COCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1 4861149 WQLDMOAERNCDCN-UHFFFAOYSA-N 388.449 2.924 0 40 GFAB CC(C)OCCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 6307109 KACVJIYPJWGNSM-UHFFFAOYSA-N 378.494 2.537 0 40 GFAB Cc1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 6861183 OFTQYRJWWYYGQG-UHFFFAOYSA-N 389.502 2.536 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)cc1OC 7456877 OSCRBBZAWJDLHX-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 12526815 ZGEWWUBYXRSVQY-AWEZNQCLSA-N 381.432 2.947 0 40 GFAB CCn1c(CCC(=O)Nc2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21 8281091 QJVJSUWTODWRIJ-UHFFFAOYSA-N 386.477 2.583 0 40 GFAB Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 8732538 LYTATDHRVWHRHH-OAHLLOKOSA-N 382.416 2.758 0 40 GFAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1 34863153 PAIMRRGAIHKQKM-SFHVURJKSA-N 377.488 2.812 0 40 GFAB Cc1cccc(CN2CCC(NS(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 56071087 WIRGJEKONRTTCM-HDICACEKSA-N 379.570 2.772 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc(I)cc1)C31CC1 100201675 SXBUIFRWYXAUGI-XDQVBPFNSA-N 391.208 2.993 0 40 GFAB CCC(CC)C(=O)N1CCC(NC(=O)N[C@H]2CCCc3c2cnn3C)CC1 58196893 ORFOHCQSKVIRPR-KRWDZBQOSA-N 375.517 2.524 0 40 GFAB O=S(=O)(CCn1cnc2ccccc21)NC1CCN(Cc2ccccc2)CC1 10237734 VUSVEGLSLDGZHS-UHFFFAOYSA-N 398.532 2.620 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)cc1F 58214732 CWHZEKZBOCHRHP-JZXOWHBKSA-N 378.488 2.867 0 40 GFAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N1CCCc2ccccc21 22613009 MUWJKAYFBBUDEZ-OAHLLOKOSA-N 376.416 2.792 0 40 GFAB O=C(CSc1ccc2nncn2n1)Nc1ccc(Br)cc1F 44921578 AETHTLGBJOJAMK-UHFFFAOYSA-N 382.218 2.757 0 40 GFAB CCN(C(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)C1CCN(C)CC1 100124783 SJTCBZRVBOIBSN-PIBIMKELSA-N 382.504 2.989 0 40 GFAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@@H]1Cc2ccccc2O1 12777282 IYFMNDXYXFAGII-SFHVURJKSA-N 392.411 2.847 0 40 GFAB COC(=O)[C@@H](C)OC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 12789173 IQVRVRXSXZTEGC-CQSZACIVSA-N 391.445 2.538 0 40 GFAB C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1nc(-c2cccs2)no1 45357778 GDRFELKPZOBFLI-NSHDSACASA-N 377.447 2.740 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@@H](C)C(=O)c1ccccc1 10900438 AVOSAMOELWOIIT-AWEZNQCLSA-N 375.446 2.674 0 40 GFAB COc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc(C(=O)O)c1OC 45946792 GVNBWNIEUOESSC-NSHDSACASA-N 377.418 2.542 0 40 GFAB O=C(CNC(=O)c1ccccc1F)NCCOc1ccc(C(F)(F)F)cc1 48365049 HFNORCPYKVBFND-UHFFFAOYSA-N 384.329 2.770 0 40 GFAB O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1 29933996 FPJQZQVJJJZJAW-UHFFFAOYSA-N 378.469 2.647 0 40 GFAB CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccccc1 12878684 BYVUIISHODGCRQ-CQSZACIVSA-N 390.490 2.810 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 12879065 XCDGDSGSERETJK-QGZVFWFLSA-N 388.830 2.558 0 40 GFAB COc1cccc(-c2nnc(SCN3C(=O)c4ccccc4C3=O)n2C)c1 3423572 WFVSARXJGKGBJH-UHFFFAOYSA-N 380.429 2.837 0 40 GFAB O=C(Nc1ccccn1)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 8994403 TXTZRKMBNZOCKR-UHFFFAOYSA-N 378.432 2.530 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 3579020 ONKFEOSZMMQBOU-UHFFFAOYSA-N 398.843 2.941 0 40 GFAB CC(=O)Nc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2)c1 12920731 DLJKQRDPSPGQCI-LBPRGKRZSA-N 382.449 2.740 0 40 GFAB COc1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1OC 12987142 FIJZKHLFLLEVJU-UHFFFAOYSA-N 399.472 2.660 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1C 13078336 BNUAWCAFVZXSDM-UHFFFAOYSA-N 388.489 2.508 0 40 GFAB COc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 71283901 PBJIBJFBIOXFKP-DZGCQCFKSA-N 375.450 2.683 0 40 GFAB COc1ccc(C(=O)[C@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1OC 20722521 CZANTYUKVSGQKH-ZDUSSCGKSA-N 393.403 2.946 0 40 GFAB COc1ccc(NC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)cc1 4315764 GURKTFXEGDYMIT-UHFFFAOYSA-N 397.460 2.613 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2)cc1 5274883 LVNPOKMSNXUQQI-IRXDYDNUSA-N 381.461 2.993 0 40 GFAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)O 20058192 AJZCIZPPQCUECP-CXUHLZMHSA-N 396.399 2.560 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408532953 OQFKMSOUPXTJGX-ZDUSSCGKSA-N 388.917 2.808 0 40 GFAB CC(C)[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)NC(N)=O 6532395 NGSRAMSLWRIXFA-HNNXBMFYSA-N 399.476 2.898 0 40 GFAB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1C[C@@H]1CCCO1 5672739 HLVRXXSRPXADAH-SFHVURJKSA-N 381.436 2.521 0 40 GFAB Cc1c(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)oc2cc(O)ccc12 9305424 ZIMCBTKCLOTJDU-UHFFFAOYSA-N 396.418 2.837 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c1C 9836613 CJCBTQHUOWCFPO-UHFFFAOYSA-N 394.811 2.876 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccc(F)c1 7728414 JZPPCDJPCMKXPD-CQSZACIVSA-N 378.425 2.535 0 40 GFAB COc1cc(C(=O)OCC(=O)NCCC2=CCCCC2)cc2c1OCCO2 7939183 PBZFFIXGHKOIRB-UHFFFAOYSA-N 375.421 2.630 0 40 GFAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc2c(c1)OCO2 7979385 UJXRPLDJSJWHJD-UHFFFAOYSA-N 384.432 2.759 0 40 GFAB CCCCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc(C)c(CCO)c1=O 67300512 VAHFHCZZMCMJRK-UHFFFAOYSA-N 391.899 2.665 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1cncn1-c1ccc(F)cc1 8280055 ISMACWMCNQEKAB-UHFFFAOYSA-N 385.395 2.967 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1ccc(-n2cncn2)cc1 8776703 DKPRVZKOBFPGMH-CQSZACIVSA-N 393.472 2.583 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 8782408 RFTBTENWPAMMFW-INIZCTEOSA-N 397.450 2.536 0 40 GFAB Cc1ccn2ncc(C(=O)NCC3(N[C@@H](C)c4ccccc4)CCOCC3)c2n1 95959162 WVGHFLOHROLWDX-KRWDZBQOSA-N 393.491 2.668 0 40 GFAB CCCCNC(=O)[C@H]1CSCN1C(=O)c1oc(Br)cc1C 95957818 DJGWZXSKWXPQSP-SNVBAGLBSA-N 375.288 2.782 0 40 GFAB CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 95957292 AUEMCDBUVXACJH-GOSISDBHSA-N 391.475 2.906 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C)c(C)c2)N2CCOCC2)o1 23762114 CHNHTPFUSZWLHN-SFHVURJKSA-N 378.494 2.557 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113967176 GNXKRZNAWIPVTO-UONOGXRCSA-N 394.468 2.866 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OC 20025064 LYIRKFWLPWNSLA-UHFFFAOYSA-N 384.404 2.914 0 40 GFAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@@H]1CCO[C@H]1C)CC2 547697766 USQSPJJVXMYVOU-BMGDILEWSA-N 376.522 2.903 0 40 GFAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 408684571 NURASCVSFZWJDK-LNMJFAINSA-N 375.428 2.800 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2F)Oc2ccc(Cl)cc21 38849270 HHSASNGWTQUNSS-OAHLLOKOSA-N 384.816 2.645 0 40 GFAB Cc1ccc(OCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 35271209 ILCHBCWDYNIORG-UHFFFAOYSA-N 395.503 2.774 0 40 GFAB Cc1nc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c(C)o1 554605893 ZZTNDQFGUQJRRR-LJQANCHMSA-N 383.492 2.950 0 40 GFAB CSc1nc(C)c(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)c(C)n1 7436298 WPXQPDFYGIBYDK-UHFFFAOYSA-N 398.488 2.808 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc1 71328932 QHFATUFOPNDZSO-MRXNPFEDSA-N 382.464 2.554 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 219200228 ZXYMMCIIYYHLLS-UHFFFAOYSA-N 395.459 2.832 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1Cl 32444151 VIYRIXFYQOLDGZ-UHFFFAOYSA-N 394.880 2.954 0 40 GFAB O=C(NCCCn1cccn1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 30169267 XYTPJUCKDXWKLJ-UHFFFAOYSA-N 384.461 2.504 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC(O)=Nc3nnc(-c4cccs4)n32)c1 72403897 LCXVIBJAICNSMI-LBPRGKRZSA-N 396.432 2.538 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1F 70968150 WEXYGFUKYGMAHQ-IBGZPJMESA-N 379.453 2.801 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 36648456 VDSLZZCRTPZUFH-UHFFFAOYSA-N 388.489 2.975 0 40 GFAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 72346520 GOPIUFURVJPNIZ-WYADAEROSA-N 384.451 2.513 0 40 GFAB CN1CCOc2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2C1=O 49508089 NZHHGRQBHJPQDA-UHFFFAOYSA-N 376.416 2.804 0 40 GFAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)ccc21 40286797 BPWBIZRSAOWJJR-GRYCIOLGSA-N 392.381 2.859 0 40 GFAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1ccc2c(c1)OCO2 225763782 WPLSVOPGSBJTEM-UHFFFAOYSA-N 379.401 2.512 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2OC)cc1Cl 224958739 FERKBLGJPLWPBE-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1c(F)cccc1F 223215447 CINPPQILAADNMP-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CN(Cc1ccccc1F)C(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 222879974 ZGHURRBUICSUMJ-UHFFFAOYSA-N 378.469 2.667 0 40 GFAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224684907 CLPXLTYEVODNOV-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCc2cccnc2)c1 224155404 KQVLYTHVWYWVGB-UHFFFAOYSA-N 399.447 2.976 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223604213 DDRZQSCUHUEVLP-RBUKOAKNSA-N 379.489 2.622 0 40 GFAB Cc1cccc(NC(=O)N2CC[C@]3(CC(C(=O)NCc4ccco4)=NO3)C2)c1 96225866 FLIRDIIILFNFEO-FQEVSTJZSA-N 382.420 2.657 0 40 GFAB Cc1nc(N)sc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257341373 ZKBMSUQQMZRYBY-MRXNPFEDSA-N 386.521 2.934 0 40 GFAB O=C(Cc1c(F)cccc1Cl)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104289 MXJLMGIQFXBKEI-UHFFFAOYSA-N 385.819 2.845 0 40 GFAB O=C(Cc1cccnc1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575618255 UOBVUAZYYLKDHR-QGZVFWFLSA-N 378.881 2.666 0 40 GFAB CN1CCC[C@@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn34)s2)C1 585263123 MWRKTKAVSSSKHK-GFCCVEGCSA-N 375.885 2.935 0 40 GFAB Cc1nn2c(-c3ccc(S(=O)(=O)N4CCCC4)o3)nnc2c2ccccc12 5307481 APUWVMZXJUHWHH-UHFFFAOYSA-N 383.433 2.630 0 40 GFAB COCC(=O)N1CCC[C@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 12120567 CLPDBHMLJHEBPI-SFHVURJKSA-N 395.507 2.881 0 40 GFAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 12520832 BALREQIRPQPGHG-UHFFFAOYSA-N 394.396 2.878 0 40 GFAB Cc1cnc(-c2nnc(C3CCN(C(=O)COc4ccccc4)CC3)o2)cn1 19239220 YJFXHGQUEKYYLK-UHFFFAOYSA-N 379.420 2.620 0 40 GFAB C=Cn1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19554357 VPAHGOQKBANHBD-KRWDZBQOSA-N 382.512 2.745 0 40 GFAB CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccccc1F 19715299 BAWUEYVUMFRUAH-JOCHJYFZSA-N 397.450 2.687 0 40 GFAB COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@@H]43 104660286 GWYVXPNMQFBXRS-GIFBIUIXSA-N 380.488 2.871 0 40 GFAB biogenic,in-vitro COc1ccc(CC(=O)N2CCC[C@H]([C@H](NC(C)=O)c3nccs3)C2)cc1 12158004 DLRGSQODESOYHU-LPHOPBHVSA-N 387.505 2.810 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc1 12745392 ZENPSGDXCVXWGX-INIZCTEOSA-N 380.448 2.619 0 40 GFAB CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C 4163429 WVPRRSFKPIEQMF-UHFFFAOYSA-N 377.510 2.828 0 40 GFAB CC(=O)N[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 4219998 PBMNEPLMOAXBRU-DYVFJYSZSA-N 398.415 2.553 0 40 GFAB Cc1cnc(N(C)[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc1 1889205715 YVFDUJVTIIKQFQ-HNNXBMFYSA-N 380.901 2.728 0 40 GFAB Cc1cnc(NC(=O)CN2CCC[C@](O)(COc3ccccc3)CC2)s1 2037916033 JDQRSTYEZGDAJE-LJQANCHMSA-N 375.494 2.686 0 40 GFAB Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 4250524 FLWRRSPWTQQCGS-UHFFFAOYSA-N 399.454 2.804 0 40 GFAB COc1ccc(OC)c2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12 4517800 ZNJAUHDPYITZGG-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccccc1 5263819 CVJCHZPGXKKXMR-UHFFFAOYSA-N 392.484 2.906 0 40 GFAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(Cl)cc2)cc1OC 9616168 CJITWQJBWSVXTB-UHFFFAOYSA-N 388.815 2.655 0 40 GFAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)NC(C)(C)C)c(=O)c32)c(C)c1 22768170 FUQYWOQOZCPCHR-UHFFFAOYSA-N 393.491 2.991 0 40 GFAB Clc1ccc(-c2ccc(N3CCN(Cc4nnc5n4CCC5)CC3)nn2)cc1 1775975909 QEWXCETVWGJPII-UHFFFAOYSA-N 395.898 2.657 0 40 GFAB O=C(CSC(=S)N1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 215716420 WMENTQKFFUXPSW-UHFFFAOYSA-N 380.413 2.874 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)COc3ccccc32)cc1 40023542 PRGUWVCWJNWIFZ-UHFFFAOYSA-N 376.416 2.853 0 40 GFAB COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCCO)c(=N)c21 101351643 CKHJLCPPYZKOQX-SFHVURJKSA-N 379.416 2.745 0 40 GFAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 20898313 IFLIPCUCUYFXIK-UHFFFAOYSA-N 388.489 2.876 0 40 GFAB O=C(COC(c1ccccc1)c1ccccc1)NCCNC(=O)c1cccnc1 32363571 IXRZQVRYZWODBU-UHFFFAOYSA-N 389.455 2.734 0 40 GFAB Cc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1ccc(OCC(=O)O)cc1 32626805 ZHWABDVKQVRMGC-UHFFFAOYSA-N 379.409 2.739 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(C)cn2)cc1 21877199 BWUYDLXHVXXIAS-UHFFFAOYSA-N 389.477 2.632 0 40 GFAB COc1c(C)cnc(CN2CCC(N(C)CC(=O)NC3CCCC3)CC2)c1C 104074614 IEGNTNSFGBUEOJ-UHFFFAOYSA-N 388.556 2.662 0 40 GFAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)Nc1ccc2c(c1)OC(F)(F)O2 8981455 OIUGFDYRVJSZFT-SNVBAGLBSA-N 384.364 2.709 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)CCC2 9070333 GTSUOQWOZRSPPA-UHFFFAOYSA-N 388.464 2.882 0 40 GFAB CC(C)[C@H]1C(=O)NCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 78453136 VEEFHQUEOZSUHL-SFHVURJKSA-N 375.856 2.911 0 40 GFAB COC[C@](C)(CC(=O)OC)NCc1ccc(OC)c(OC)c1Br 79023316 JCBOOXFUKLFXBA-INIZCTEOSA-N 390.274 2.524 0 40 GFAB C[C@H](O)[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938081 XTMIDCQCTISXHT-WDGYUPOISA-N 387.002 2.730 0 40 GFAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 2889857 KRCJUQTWGSOCQQ-UHFFFAOYSA-N 393.440 2.866 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(NS(C)(=O)=O)cc2)c1 23628123 KHBHZPZNFRDPPB-LBPRGKRZSA-N 375.450 2.700 0 40 GFAB CN(CCO)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 23709309 PYFLZLFNBQSIPA-UHFFFAOYSA-N 390.534 2.681 0 40 GFAB CCC[C@H](C)NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 6324905 ZVSCCUTXWSAYLY-NSHDSACASA-N 377.304 2.520 0 40 GFAB CCc1ccc(NC(=O)COc2cccc([C@H]3CC(=O)Nc4ncnn43)c2)cc1 6709178 AVXMVFZPNHIKAE-GOSISDBHSA-N 391.431 2.790 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 100738275 BBHHPFQEFMGBND-OALUTQOASA-N 383.467 2.818 0 40 GFAB CCCCCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NC2CCCC2)C1 106170880 KKDLEAUSLUPKIY-IAGOWNOFSA-N 394.560 2.552 0 40 GFAB CC(C)c1cc(NC(=O)CN(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)on1 57570830 UNSZWSNSYPXFJJ-UHFFFAOYSA-N 383.452 2.884 0 40 GFAB O=C1Cc2c(ccc(Cl)c2C(=O)CSc2nnnn2-c2ccccc2)N1 57531533 WAVLBYIZVXWMGD-UHFFFAOYSA-N 385.836 2.785 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@H](c2ccccc2)c2nccn2C)c1 48234148 BWIODRRHFVWNBP-GOSISDBHSA-N 387.461 2.505 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(OC)ccc1OC 57652323 BLRPIEQFENTPGB-UHFFFAOYSA-N 379.434 2.643 0 40 GFAB CCOC(=O)c1cccnc1N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 58014488 GANZXOFBVWMGJE-UHFFFAOYSA-N 399.491 2.906 0 40 GFAB CCCc1cc(O)nc(SCC(=O)NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 108859130 NJTIPEZDFSWMHQ-UKTARXLSSA-N 392.525 2.877 0 40 GFAB CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1 28283990 FFVIJWHISBSCPU-GJZGRUSLSA-N 382.507 2.534 0 40 GFAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)OCC(C)C)CC3)n2)cc1 48325239 FPOIRGQZMMSCDT-KRWDZBQOSA-N 386.496 2.750 0 40 GFAB C[C@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(F)cc1 113967319 WYDVGRUCRIDWDP-QWHCGFSZSA-N 382.432 2.997 0 40 GFAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1 12874884 DCWCUQPXBWSJSM-GCJKJVERSA-N 382.460 2.846 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 12824646 ZMXKAZQINYOUIQ-UHFFFAOYSA-N 398.488 2.711 0 40 GFAB COc1cccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1OC 58303939 HWWFUUHNHCCTTM-UHFFFAOYSA-N 381.432 2.824 0 40 GFAB COCCN(CCOC)C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 58549256 PFBWTRZVUQLADT-UHFFFAOYSA-N 397.475 2.957 0 40 GFAB CC(C)Cn1c(CN2CCOCC2)nnc1SCC(=O)c1ccc(F)cc1 12851200 ICUIVAYTPIKRLU-UHFFFAOYSA-N 392.500 2.880 0 40 GFAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1ccc(F)cc1F 51316859 YOQLESLTOBWZSL-UHFFFAOYSA-N 387.371 2.536 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cccc(F)c1 22363204 NTADNYLNLRKHDB-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB CC[C@H](C(=O)NCc1cccc(C)c1)N(c1ccccc1F)S(C)(=O)=O 113967353 HNWRGDAHDXUYGB-QGZVFWFLSA-N 378.469 2.995 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3CCCC3=O)cc12 3513825 HJZXRBFBOKMNTO-UHFFFAOYSA-N 383.429 2.701 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1C 27663965 VNOVOBILHQWFOA-IBGZPJMESA-N 387.501 2.898 0 40 GFAB COc1cc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(OC)c1 12975596 MFLOYHKBMRUXAZ-INIZCTEOSA-N 397.475 2.993 0 40 GFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 12911480 BXGZBHAAAYCYHC-AWEZNQCLSA-N 381.407 2.944 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCOCC2)cc1OC 12974162 UQRMYHPLMIVVKQ-IBGZPJMESA-N 384.476 2.816 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCC2=O)cc1 29379678 MQBGONFGBBWWSY-UHFFFAOYSA-N 391.427 2.828 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc3c2CCCC3)cc1 13004310 LOVBNNZKJUZTCP-AWEZNQCLSA-N 388.489 2.880 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCNC(=O)C3)cc12 13003684 HKQXJZUSJJGDEB-UHFFFAOYSA-N 388.880 2.680 0 40 GFAB CC(C)C[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 49549492 ACRVWJBJGNXGDC-IBGZPJMESA-N 393.443 2.679 0 40 GFAB CN1CCN(Cc2ccccn2)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306130397 JEYKAWNHDUDBPI-HXUWFJFHSA-N 376.508 2.818 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 6084169 CUDFNCKDBSXOQQ-ADAWSYLGSA-N 378.469 2.518 0 40 GFAB CCc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 5025682 FLVCBFLRAPNIKV-LJQANCHMSA-N 387.501 2.844 0 40 GFAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9245597 FRVYUQRIKOBCEA-HXUWFJFHSA-N 383.835 2.910 0 40 GFAB CCOc1ccc(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)cc1 4392321 VJEPBJHRSKJEMC-LBPRGKRZSA-N 380.491 2.972 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C(=O)c3ccccc3)CC2)c1 13985948 LAOOLURMKFVKPN-UHFFFAOYSA-N 386.517 2.535 0 40 GFAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccncc3)C[C@H]21 5478094 OGIRUVJKNMJTPT-LJQANCHMSA-N 392.459 2.972 0 40 GFAB COC(=O)Cn1c(=O)c2c3c(sc2n(CCCc2ccccc2)c1=O)CCC3 6759153 YYXIARKFNGJXKL-UHFFFAOYSA-N 398.484 2.519 0 40 GFAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2CCCC2=O)cc1 4891056 FZHLRIGGSBTPGU-UHFFFAOYSA-N 378.428 2.950 0 40 GFAB CC(=O)NCCCCCC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 27462509 JGEREQKZYDIWKT-UHFFFAOYSA-N 383.895 2.820 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c1CCO 67300406 JFPOTRSOTHTOCW-INIZCTEOSA-N 391.471 2.631 0 40 GFAB COc1ccc(CCC(=O)OCC(=O)c2ccc(CNC(C)=O)s2)cc1 7438555 FMKXGMIGHFZSNZ-UHFFFAOYSA-N 375.446 2.752 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC([C@H](O)c3ccccc3)CC2)c1 67962497 GBHOAIWBKGTKSP-IIBYNOLFSA-N 395.503 2.819 0 40 GFAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc4c(c1)OCO4)N(C)CC3)OCO2 19942981 HQGZMLYGHCXFEG-CQSZACIVSA-N 383.400 2.955 0 40 GFAB biogenic CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccs1 20802095 MGSGPSLUKLMXRY-IRXDYDNUSA-N 399.472 2.860 0 40 GFAB C[C@@H](OC(=O)CCn1ncc(=O)c2ccccc21)C(=O)NC1CCCCCC1 8409910 MNBBKXGLVJTTNK-OAHLLOKOSA-N 385.464 2.557 0 40 GFAB O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[C@H](O)COc1ccccc1F 8985107 GJSKJGMUEBQLHI-AOMKIAJQSA-N 398.434 2.739 0 40 GFAB Cc1c(C(=O)NCC2(N(C)C)CCCC2)nnn1-c1cccc2cnccc12 95954778 NIALGTNTFRNORA-UHFFFAOYSA-N 378.480 2.728 0 40 GFAB Cc1ccc(-c2noc(CCC(=O)NC3CCC(C(=O)O)CC3)n2)cc1F 95970515 RKRCBUURHWVZLN-UHFFFAOYSA-N 375.400 2.876 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2OC)cc1Cl 408559942 NPFLRJZMZJBIMX-NSHDSACASA-N 398.868 2.663 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 29156413 FHNMJSQERNRLHK-FQEVSTJZSA-N 381.520 2.778 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2C)C(=O)N3)cc1 20725536 VPAQTRHETKRYKU-MRXNPFEDSA-N 377.404 2.784 0 40 GFAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O)c1ccc(F)cc1 408664175 YXVVXGWROKJJHW-UHFFFAOYSA-N 388.782 2.868 0 40 GFAB CN1C(=O)C[C@@H](CNC(=O)C2CCCC2)[C@@H]1c1cnn(Cc2ccccc2)c1 508641510 RWNSQWNJRDHEDK-GHTZIAJQSA-N 380.492 2.757 0 40 GFAB COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 33558255 LVCAHWMPEKSSEZ-UHFFFAOYSA-N 396.896 2.606 0 40 GFAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)N[C@H]1CCc2ccccc21 71769077 NRDAPYDKLIAGCP-SFHVURJKSA-N 379.435 2.997 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 224774363 BNJAXNGUEWXWKK-UHFFFAOYSA-N 382.460 2.959 0 40 GFAB CCc1[nH]nc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1C(=O)OC 48991562 QFJONLGFNUQRCC-UHFFFAOYSA-N 377.344 2.578 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 220170917 BUSHBFRPKGCWHJ-ZDUSSCGKSA-N 390.461 2.691 0 40 GFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc3nccnc3c1)C2=O 47179251 JSPXWUTYVAYKGR-ASSNKEHSSA-N 395.463 2.705 0 40 GFAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)cc1OC 95534292 VZTUWYJFNNUOSO-SFHVURJKSA-N 384.436 2.944 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96239998 JCQJXZCYAUUCDB-UHFFFAOYSA-N 386.883 2.889 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)Nc1cccc(F)c1)C2 96237801 REPRHXNBIJKEPA-OAQYLSRUSA-N 382.439 2.781 0 40 GFAB CCc1oc2ccccc2c1CC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 529300694 DPEVUDYBPHMPFM-UHFFFAOYSA-N 390.505 2.564 0 40 GFAB CCCC(=O)N1CCC[C@H](c2nc(CS(=O)(=O)c3ccccc3)no2)C1 585084413 XCIPQAGMKGJMMK-AWEZNQCLSA-N 377.466 2.550 0 40 GFAB CCOc1ccc([C@H]2[C@H](C(=O)NCCn3nccc3C)CCC(=O)N2CC)cc1 257229860 FZTIGUGURLEHNQ-CTNGQTDRSA-N 398.507 2.706 0 40 GFAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1cc(-c2cccs2)n[nH]1 253473386 URYVXRXGLDTMMS-UHFFFAOYSA-N 385.474 2.648 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@@H]3C[C@H](C(=O)O)c4ccccc43)c(O)nc2C1 653330349 DOLWBURTNCZNDF-XJKSGUPXSA-N 394.427 2.985 0 40 GFAB COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1 654031883 QJMJQPOZGZVATE-SVMVAKDDSA-N 393.443 2.834 0 40 GFAB Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)CCc1ccccc1Cl 656952339 OVESRRMJIHSMAK-KRWDZBQOSA-N 397.928 2.636 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)NC[C@H](c3ccco3)N(C)C)cn2)C[C@@H](C)O1 61473500 VFXDGFIUJNPKDQ-HLLBOEOZSA-N 387.484 2.713 0 40 GFAB O=C(Cc1ccccn1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12117457 OTXPUGAVBBJAGL-MRXNPFEDSA-N 380.473 2.773 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 12999081 NNKKICFFKJNTQB-CQSZACIVSA-N 388.489 2.678 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)Cc1ccc2c(c1)OCO2 13226879 VQSBZVNBMAJELG-GOEBONIOSA-N 376.416 2.597 0 40 GFAB CN(c1ccc2sc(C(=O)NCc3cccnc3)cc2c1)S(C)(=O)=O 13609739 QOCKRJIBJXGMRJ-UHFFFAOYSA-N 375.475 2.622 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1C 13848724 VQXROCPMTLTXAP-UHFFFAOYSA-N 388.489 2.969 0 40 GFAB Cc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1 15936140 IRSSJZVYWPWBRM-UHFFFAOYSA-N 380.473 2.852 0 40 GFAB Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccc(O)cc1O)SC(N)=N2 16958347 SXLNKLVZGMPPQR-MRXNPFEDSA-N 396.428 2.779 0 40 GFAB COc1ccc(CNCCn2nc([C@H]3CCN(C(C)=O)C3)c3cccnc32)cc1 19016576 BGGXWPOLHRNFLL-SFHVURJKSA-N 393.491 2.566 0 40 GFAB Cc1cccc(CC(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 19234613 FKHFDKLHRWPEJB-IBGZPJMESA-N 391.519 2.860 0 40 GFAB Cn1nc([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)c2nccnc21 19289401 DQFQFKSSVZJWOL-LBPRGKRZSA-N 391.884 2.585 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19331250 VJGJEBAYQAPHSF-REWPJTCUSA-N 396.462 2.918 0 40 GFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@@H](CN(C)C)C3)cc2N1 19520563 DZGJQQSGIWBNQB-GZBFAFLISA-N 387.450 2.995 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)cn1 19525046 BYYXDTFLPNRSBZ-ZDUSSCGKSA-N 393.494 2.849 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)c(OC)c1 19551914 QWZIIDUWPIRSEQ-HNNXBMFYSA-N 393.443 2.960 0 40 GFAB CN(C)c1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)cn1 19585434 ZNQHZPRGFWZSMD-ZCNNSNEGSA-N 397.498 2.822 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19693507 RLXQASNCBIUGGA-FQEVSTJZSA-N 376.464 2.573 0 40 GFAB CC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738960 WUALRVFGNFRQAQ-LJQANCHMSA-N 392.503 2.951 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1C 8336371 IMUKNRSARPHLMY-XNTDXEJSSA-N 396.424 2.533 0 40 GFAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccnc(N2CCOCC2)n1 623440172 LHRFBYUXFHXQLY-UHFFFAOYSA-N 381.263 2.892 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H](N)CCO2)sc1Cl 652383470 VTNSEJPOGMDSES-YNEHKIRRSA-N 378.947 2.759 0 40 GFAB Cn1cc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cn1 12132431 KQXMYUQGPFMMMT-UHFFFAOYSA-N 393.413 2.816 0 40 GFAB CCOC(=O)C1(NC(=O)C2(N3C(=O)c4ccccc4C3=O)CCCC2)CCCC1 1719084 ACNRKIKZBFWTOB-UHFFFAOYSA-N 398.459 2.588 0 40 GFAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(C(=O)NC(CO)CO)ccc3O2)cc1 2037872557 BIIRYDDPKAOXAJ-QHCPKHFHSA-N 383.488 2.829 0 40 GFAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCN(C)Cc2cccnc2)C1 2037916053 KBNFLZINBMQSNU-HSZRJFAPSA-N 397.519 2.990 0 40 GFAB O=C1COc2ccc(F)cc2CCCC[C@@H]2CN(Cc3ncc[nH]3)CC[C@@H]2N1 2037988657 CNKWJNKQVNCBCD-AEFFLSMTSA-N 386.471 2.661 0 40 GFAB CCC(F)(F)C(=O)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037989047 SPWATNJRLYURRV-GOSISDBHSA-N 384.398 2.986 0 40 GFAB O=C(Cc1ccc(F)cn1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542922 IEXGXMMAYDVUKM-RBBKRZOGSA-N 399.466 2.773 0 40 GFAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(F)c3)CC2=O)cc1 9036121 UPLTYNNEFNMBMN-AWEZNQCLSA-N 392.452 2.556 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 9519143 HQRMWUOZVXUHRO-HNNXBMFYSA-N 387.528 2.732 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 36096221 APFIIRYVWBJDAC-UHFFFAOYSA-N 387.417 2.888 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 38488271 YRYYLPSZYMKFGW-UHFFFAOYSA-N 378.421 2.818 0 40 GFAB Cc1cc(C(N)=O)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 40088572 DCBZJHNFUMLXJJ-UHFFFAOYSA-N 396.834 2.854 0 40 GFAB O=C1NC(=O)C2(CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)N1 40033856 AUYJOIPNDKODDY-UHFFFAOYSA-N 381.816 2.508 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 40119887 MGMMWEMFELIEBO-SNVBAGLBSA-N 399.822 2.904 0 40 GFAB CCNC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 40145552 DQMTULHIBGYPQE-UHFFFAOYSA-N 385.489 2.989 0 40 GFAB COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc(OC)c1OC 100190733 GLMBLAKMEVSUAQ-CYBMUJFWSA-N 395.415 2.503 0 40 GFAB COc1cc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc(OC)c1 40284781 WKIHZFBHPKWXOR-UHFFFAOYSA-N 385.449 2.872 0 40 GFAB COc1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)ccc1OC(F)F 53234095 QZRAIBDACYZYNZ-ZDUSSCGKSA-N 397.399 2.945 0 40 GFAB Cc1nc(CSCC(=O)NCCNc2ncc(Cl)cc2Cl)no1 53262932 WVGBJRBKJQWXMU-UHFFFAOYSA-N 376.269 2.541 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2=O)cc1 22725643 PPQVSGYNRCZLRL-UHFFFAOYSA-N 399.834 2.690 0 40 GFAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C(F)(F)F)c(=O)[nH]c2c1 1366653 CQALDRZQLFOJMM-AWEZNQCLSA-N 384.354 2.607 0 40 GFAB COc1ccc(CCNC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 936571 XLARBHZFCHXNDO-UHFFFAOYSA-N 384.863 2.889 0 40 GFAB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC(N)=O 3521450 AKAXKDBUYLOABG-LLVKDONJSA-N 385.424 2.749 0 40 GFAB Cc1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1S(N)(=O)=O 12552131 IPJJNVSHIQGSEV-UHFFFAOYSA-N 389.260 2.967 0 40 GFAB O=C1C[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2N1 24148944 VFANKRAQCSINSY-IBGZPJMESA-N 381.451 2.638 0 40 GFAB CCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1C 12521081 HJMYSVQZAKPREE-UHFFFAOYSA-N 376.434 2.931 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 4860602 IUFAGWWPNTYZJB-UHFFFAOYSA-N 386.433 2.901 0 40 GFAB CCOC(=O)c1cc2occc2n1CC(=O)N1CCN(c2ccccc2F)CC1 4926279 QDZNQFSDADYEEB-UHFFFAOYSA-N 399.422 2.899 0 40 GFAB COc1cccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1 4964896 ZAWCYVHOXAEPDW-UHFFFAOYSA-N 388.493 2.638 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 4977218 OJZKCLOYSRYCEF-UHFFFAOYSA-N 388.489 2.821 0 40 GFAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 7911554 SCBSFEYOKTXRFU-IBGZPJMESA-N 384.432 2.983 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2ccccn2)CC1 12564724 LTUGPOVGNJUSDC-UHFFFAOYSA-N 398.532 2.519 0 40 GFAB COC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10314437 GBXGWLBRVKZKMR-AWEZNQCLSA-N 376.478 2.869 0 40 GFAB C[C@H](C(=O)Oc1cccc2cccnc12)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100637083 FXERADPWPCNZNP-CQGUCCIRSA-N 388.423 2.582 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)COc3cccc(F)c3)CC2)c1C 34870369 PVZCWGLKOJTBJT-UHFFFAOYSA-N 399.466 2.604 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccccc3OC)CC2)c1C 34889459 VQAKOIIPPRQYGF-MRXNPFEDSA-N 399.491 2.820 0 40 GFAB CCOc1ccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 8050568 TUUWEIVZFQKKGN-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB COc1ccc(CCN(C)C(=O)CCN2C(=O)COc3ccccc32)cc1OC 8144345 DBLHSBSVYSALGY-UHFFFAOYSA-N 398.459 2.520 0 40 GFAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCSc1ccc(F)cc1 8277348 TYYOLESEIGAXKS-KRWDZBQOSA-N 377.437 2.914 0 40 GFAB COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1OC 3241597 HUENNNPDLSOPQI-UHFFFAOYSA-N 397.431 2.763 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2ccccc2C)CC1 35287180 GUJDHEVHTGEDPE-UHFFFAOYSA-N 379.504 2.883 0 40 GFAB CCN1C[C@@H](CN(C)C[C@@H](O)COc2cccc(C(C)=O)c2)Oc2ccccc21 12607750 VDAGEKSORBBVPH-TZIWHRDSSA-N 398.503 2.848 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc4nc[nH]c(=O)c4c3)CCC2=O)c1 58113216 FVLKKQHGEKKHMP-UHFFFAOYSA-N 389.415 2.661 0 40 GFAB Cc1ccccc1C[C@H](C)NC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 58159848 AQSUVISYIRNTEL-HNNXBMFYSA-N 376.460 2.739 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1ccccc1F 12786513 YPIXUQBCAGAFAY-IBGZPJMESA-N 394.450 2.713 0 40 GFAB COc1cc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc(OC)c1 12772594 NJORXEXCMSAXCH-UHFFFAOYSA-N 375.406 2.611 0 40 GFAB Cc1ccccc1CC(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 12783312 CVZIJMONBMWTCV-AWEZNQCLSA-N 375.446 2.724 0 40 GFAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1 55750132 XNHDGIKERDSFAE-HNNXBMFYSA-N 376.453 2.889 0 40 GFAB C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)N(C)C)cc1 55829217 DYWQRBVUVDPTNI-QMTHXVAHSA-N 379.309 2.698 0 40 GFAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 10764538 KVQLOGPPWBBQSY-CYBMUJFWSA-N 375.446 2.629 0 40 GFAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(C(=O)N2CCCC2)CC1 29160772 JIOCCHPAGPCXHP-HNNXBMFYSA-N 395.511 2.593 0 40 GFAB CCN1CCN(C(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)CC1 22236950 VWNLWEVVHUITKB-UHFFFAOYSA-N 381.398 2.818 0 40 GFAB C[C@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 2642985 CUGPQZNLQBNERM-MXPWBENCSA-N 397.383 2.770 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(C)n1C[C@@H]1CCCO1 2657792 MNRGNVHIDNPVRC-HRAATJIYSA-N 399.443 2.850 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 20490800 SVXJJJQUQSGBDX-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 4073122 HMODSEUUTCJCOO-AOMKIAJQSA-N 385.460 2.888 0 40 GFAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C(N)=O)c1C 6047141 QVNMKWQOZXVCTN-UHFFFAOYSA-N 392.433 2.602 0 40 GFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nnc(C(C)C)s3)n2)cc1 9206159 UGIORNBUPJLDOR-UHFFFAOYSA-N 385.449 2.858 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1 14097406 DZQQFNAVKNONLD-UHFFFAOYSA-N 390.417 2.543 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)N1CCC(C(=O)c2ccccc2)CC1 14413349 QXDNJGLFBFOZQP-UHFFFAOYSA-N 394.471 2.937 0 40 GFAB O=C(OCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5571973 DFIHJZCRBHGEIN-UHFFFAOYSA-N 377.437 2.970 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 408597263 UOPMAUHBAKEPFT-ZDUSSCGKSA-N 396.896 2.722 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccccc2)c(OC)c1 4985820 SWZACAWQZIKCGR-SFHVURJKSA-N 392.419 2.618 0 40 GFAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CCN(c2ccccc2F)CC1 67284438 PNROGDSOBIQYTQ-UHFFFAOYSA-N 384.390 2.789 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)O[C@H](C(=O)NC1CC1)c1ccccc1 7226017 NEKVLJPPVZXWSW-IBGZPJMESA-N 380.400 2.548 0 40 GFAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 7385954 NTGBQZXQWRGKSQ-UHFFFAOYSA-N 395.484 2.508 0 40 GFAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 7507653 BIUQGCWRDIVMBQ-VAWYXSNFSA-N 379.372 2.940 0 40 GFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccccc1F 7583756 ZFTBDNLTDUEXJR-UHFFFAOYSA-N 379.317 2.814 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C)OCO2 7986759 BQUNISFVHLKHGP-OAQYLSRUSA-N 396.443 2.940 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 22330861 WFOGPRLZGNJOKB-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3CN(Cc4ccccc4)CC[C@H]32)c1 306139000 SMPVPGAHMBZFIW-RTWAWAEBSA-N 398.528 2.509 0 40 GFAB Cn1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2c1=O 8744881 LTOFUNVURZCTOR-QGZVFWFLSA-N 391.427 2.682 0 40 GFAB COC(=O)C[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccccc1Cl 8728900 MEEGCVADSJLXSN-KRWDZBQOSA-N 388.851 2.881 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=S)Nc2ccc3c(c2)OCCO3)CC1 8721454 DGHLVOHPKPFVLK-UHFFFAOYSA-N 383.473 2.613 0 40 GFAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1 9614140 XSHAWBDVZMJCKR-UHFFFAOYSA-N 391.468 2.929 0 40 GFAB Cc1cccc(OCCN(C)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 84211233 JUQMMEZBTSSUTP-LNLFQRSKSA-N 391.537 2.558 0 40 GFAB CC[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc2c(c1)OCCCO2 98086372 NSJDHHLSRXMBLB-MRXNPFEDSA-N 396.443 2.841 0 40 GFAB COC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951181 BEGJNZSVGZKUHG-GFCCVEGCSA-N 383.326 2.923 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(C)cc2)cc1Cl 408554786 UKJSYWRYMSVUGK-CYBMUJFWSA-N 396.896 2.640 0 40 GFAB CC(C)N1CC2(CCN(CC3CC3)CC2)COc2ccccc2S1(=O)=O 306138703 SETAWAADIMCMPY-UHFFFAOYSA-N 378.538 2.970 0 40 GFAB Cc1csc(=O)n1CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 27573837 HQMLSBCOOJRPFP-OAHLLOKOSA-N 379.551 2.869 0 40 GFAB O=C(NCc1cn2ccsc2n1)c1cc(Br)cc2nc[nH]c12 503182331 SLVGWPJSUIBMNL-UHFFFAOYSA-N 376.239 2.965 0 40 GFAB CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 408636816 CSTOHTSWBRXVOG-DUVNUKRYSA-N 385.493 2.827 0 40 GFAB O=C(NCC1CCCCC1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314586 DWMGKIGYTOCJSK-UHFFFAOYSA-N 382.512 2.526 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N[C@@H]1CCCc2ccccc21 219445028 ONSKQECHQDQIRG-GOSISDBHSA-N 398.484 2.805 0 40 GFAB Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 121341192 ORVTZQNJWYLORG-INIZCTEOSA-N 388.489 2.507 0 40 GFAB COc1cccc(-c2nc(CC(=O)N[C@@H](CC(C)C)C(=O)O)cs2)c1OC 36366774 KZCWXMZVMSWVDU-AWEZNQCLSA-N 392.477 2.985 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(CO)C(=O)O)cc1 218430369 UWFYGLGCIPEKSP-LZLYRXPVSA-N 380.849 2.651 0 40 GFAB Cc1cccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 226049909 QWFBGLJWWMINPR-UHFFFAOYSA-N 380.897 2.726 0 40 GFAB O=C(O)Cn1cc(CCN2CCC[C@@H]2c2ccc(Br)cc2)nn1 570522259 YLJGAWRRNLDNHQ-OAHLLOKOSA-N 379.258 2.505 0 40 GFAB COc1ccc(NC(=O)c2nc(-c3cn(Cc4ccc(C)cc4)nn3)no2)cc1 49410304 CTSOXFYYOFIBPX-UHFFFAOYSA-N 390.403 2.946 0 40 GFAB COc1ccc(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1OC 44226629 NGFNCDRXQKUGNC-UHFFFAOYSA-N 375.450 2.651 0 40 GFAB Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)NCc5ccccn5)n4)n3c2)cn1 96155382 FTRZMYNCXNCAQU-UHFFFAOYSA-N 397.442 2.851 0 40 GFAB CC[C@@H](O)CN1CCN(c2nc(C(F)(F)F)nc3ccc(OC)cc23)CC1 585083288 NGDKTJUUCOIIQX-GFCCVEGCSA-N 384.402 2.550 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccc(OC)cc1 257282005 ORWIZXSMKVFURB-APWZRJJASA-N 387.505 2.810 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@@](C)(C(=O)N(C)CCCc2ccccc2)C1 257332280 XWNTXMRTUPXEQL-JOCHJYFZSA-N 398.507 2.640 0 40 GFAB C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CC1CC1 612809270 ONKHISIYXSGEQK-HNAYVOBHSA-N 393.557 2.625 0 40 GFAB CC(C)CCOc1ccc(NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)nn1 667993290 URZKVFFGVQQLJO-HNNXBMFYSA-N 383.452 2.611 0 40 GFAB Cc1nnc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)s1 77099433 AVAWLXMTUJFKLW-AWEZNQCLSA-N 388.468 2.745 0 40 GFAB Cn1nc(C2CCN(C(=O)CSCc3ccccc3)CC2)n(C2CC2)c1=O 77148595 CAEULAWCBIDIOW-UHFFFAOYSA-N 386.521 2.556 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3nnc(C4CCOCC4)s3)C2)n1 549461575 XWRHUPVQOSPMEB-OAHLLOKOSA-N 387.509 2.991 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 912286 LRDGECIJOICLGM-UHFFFAOYSA-N 398.444 2.950 0 40 GFAB COC(=O)c1ccc(COC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1 5233354 JQYAAYBDCLXGKP-FQEVSTJZSA-N 383.444 2.900 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2)cc1 5274881 LVNPOKMSNXUQQI-DLBZAZTESA-N 381.461 2.993 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 13610437 NJUZJGOYLQQFEI-UHFFFAOYSA-N 388.445 2.770 0 40 GFAB Cc1cccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 13669014 XNXRBTGCMCZNSI-UHFFFAOYSA-N 384.860 2.870 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc2c(c1)OCO2 17305794 WTOCVJNSMYJYOJ-CQSZACIVSA-N 379.420 2.628 0 40 GFAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)Cn2nc(C)c(C)c2C)on1 19121486 RAXPBXOOANSTOZ-KRWDZBQOSA-N 382.468 2.869 0 40 GFAB CCOc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 19533004 UCDSBAZYDBOHJQ-FQEVSTJZSA-N 380.492 2.817 0 40 GFAB COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1 19588924 OXDSVDJKPVDTOX-FQEVSTJZSA-N 380.492 2.769 0 40 GFAB C[C@H](CN(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O)c1ccccc1 19746397 SSNFUCZNQLEBIN-QGZVFWFLSA-N 395.503 2.783 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)NC1CCCCC1)CC1(CCN(C)CC1)O2 19218560 ZEAOPRQMOIMVOA-UHFFFAOYSA-N 399.535 2.743 0 40 GFAB O=C(Cn1cncn1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 19293633 APSJBAOYWVNZPW-UHFFFAOYSA-N 385.487 2.510 0 40 GFAB COc1cc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc(OC)c1OC 19289368 PROLCZMSZWPXAM-OAHLLOKOSA-N 397.479 2.769 0 40 GFAB CCCn1ncc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1C 1138634341 AAWUVSNJYDJYFX-UHFFFAOYSA-N 382.508 3.000 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1F 239611992 FGPUAAADZHSPBX-INIZCTEOSA-N 391.468 2.572 0 40 GFAB CCCc1nnsc1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 244955802 GAIKMFOLPGKLSN-UHFFFAOYSA-N 385.478 2.587 0 40 GFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1)OCO2 85413064 FDDZEVDOKLZXDP-DNVCBOLYSA-N 396.351 2.596 0 40 GFAB COCc1ccc(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)cc1 1565553728 CMJOOGVHXNGBOL-AZUAARDMSA-N 386.517 2.868 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCc5ccccc54)cnc32)cc1C 4166071 AVXKDKRMXVUUNR-UHFFFAOYSA-N 399.454 2.788 0 40 GFAB CC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 4479711 DWJYRYKMKIEEOX-INIZCTEOSA-N 395.415 2.587 0 40 GFAB CSc1ccccc1C(=O)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9121081 RSBQANOLOCHQOI-ZDUSSCGKSA-N 386.429 2.892 0 40 GFAB Cc1csc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)c1 2055745995 XZGBOGIYGFYVAG-UHFFFAOYSA-N 390.534 2.879 0 40 GFAB Cc1ccc2c(c1)s/c(=N/C(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C 100815935 XWJALTRVOUGHCX-QZQOTICOSA-N 379.441 2.943 0 40 GFAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(c2nc(-c3ncccn3)no2)C1 49482917 KATQKMOATAPZRP-UHFFFAOYSA-N 375.310 2.785 0 40 GFAB Cc1cc(C)n([C@@H](CNC(=O)Cn2c(=O)oc3ccccc32)c2ccsc2)n1 575613641 IZJWNFUROIRNID-KRWDZBQOSA-N 396.472 2.875 0 40 GFAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2nc3c(S(C)(=O)=O)cccc3s2)C1 2298194317 BYBQYUPLWNGSSY-GFCCVEGCSA-N 395.550 2.831 0 40 GFAB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 36569392 BDHXAIILABTKQK-QGZVFWFLSA-N 390.487 2.631 0 40 GFAB Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(S(C)(=O)=O)nc21 39060867 BADVXFUKYQHVBO-UHFFFAOYSA-N 384.244 2.706 0 40 GFAB in-vitro O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc2c(s1)CCCCC2 40034664 AKJNYQHOPMULEF-UHFFFAOYSA-N 376.482 2.605 0 40 GFAB CC(C)CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 40158158 CZRPRZMMPMKOBP-LJQANCHMSA-N 393.478 2.760 0 40 GFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1-n1cnnn1 20736388 BJWHBKROMLKQLM-UHFFFAOYSA-N 384.802 2.909 0 40 GFAB O=c1c(NCCc2ccccc2)c(N2CCN(c3cccc(Cl)c3)CC2)c1=O 101704270 LGHRPXFNASJJNN-UHFFFAOYSA-N 395.890 2.917 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2ccco2)cc1 21902937 RTDGITHAFKIVLC-UHFFFAOYSA-N 392.477 2.542 0 40 GFAB CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21 1342317 WQSMFMFAFMNVLO-UHFFFAOYSA-N 388.464 2.815 0 40 GFAB CN1c2ccccc2S(=O)(=O)n2c(COc3ccc(Cl)cc3)nnc21 1589184 NZKNCMVBGGKKNK-UHFFFAOYSA-N 376.825 2.829 0 40 GFAB CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2103785 RTDPOGLPMCJFGU-ZFWWWQNUSA-N 375.421 2.855 0 40 GFAB biogenic CCC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)O 2123445 WUDYMSJPWFSKPP-CYBMUJFWSA-N 381.812 2.675 0 40 GFAB biogenic O=C(COC(=O)/C=C/c1ccc(Br)o1)NCCc1ccccc1 2631955 NMYMBHCFKPWZQK-VQHVLOKHSA-N 378.222 2.957 0 40 GFAB Nn1c(SCCOc2ccc(Br)cc2)nnc1C(F)(F)F 2647194 XJULCCJZPPAVRS-UHFFFAOYSA-N 383.193 2.944 0 40 GFAB CCCc1nc(SC/C=C/c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138971 FGBJWUNXFOUQRP-XYOKQWHBSA-N 382.489 2.785 0 40 GFAB COc1ccc(NC(=O)C[C@@H](NCCC2=CCCCC2)C(=O)O)c(OC)c1 4280206 MNGXEXVPDFSRML-QGZVFWFLSA-N 376.453 2.966 0 40 GFAB COc1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 4383885 RGQINFPPUHEASE-QGZVFWFLSA-N 398.440 2.971 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]32)cc1 4484064 YTNTXHKIGHUMTN-RTBURBONSA-N 391.431 2.544 0 40 GFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1cccc(Cl)c1Cl 4512380 HIJAFHPBJXZJSR-NJHBPTTISA-N 384.215 2.673 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 4583268 OSGIQBZVGIQRAA-SFHVURJKSA-N 395.507 2.583 0 40 GFAB CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@@H]21 4649201 MNXBSYVVUROKIR-WCZJQEMASA-N 377.400 2.937 0 40 GFAB C[C@H]1[C@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2c1ccc(Br)cc1 4772768 JKBNGUTWVQJJLM-PUPMMZHASA-N 395.301 2.815 0 40 GFAB O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1NCc1cccnc1 4954494 ZNFUSHNZKCNOBJ-SLDRDFCHSA-N 389.411 2.703 0 40 GFAB COC(=O)NC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc(C)c1C 5145078 DUEPMBFBSUJFEM-ZDUSSCGKSA-N 390.417 2.640 0 40 GFAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1-n1cnnn1 5505344 HPEGGOGIADLBRV-LJQANCHMSA-N 391.431 2.573 0 40 GFAB CCOc1ccc(N2C(=O)/C(=C/c3ccco3)N(CC(=O)OC)C2=S)cc1 6351253 WQRJJMQUOPZPRT-WJDWOHSUSA-N 386.429 2.826 0 40 GFAB C[C@H](CC(=O)N1CCOCC1)NCCSc1ccc(Br)cc1 6651095 QKVKSIVOVQEVTO-CYBMUJFWSA-N 387.343 2.768 0 40 GFAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(Cl)cc2)c1 6681449 AHHLOACJRHZCDS-UHFFFAOYSA-N 388.898 2.921 0 40 GFAB Cc1nc(-c2ccc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)cc2)cs1 7438367 LHBXSIVUVRPLTD-CQSZACIVSA-N 382.532 2.977 0 40 GFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 7495314 SLFJHCCECWADPW-SFQUDFHCSA-N 393.399 2.580 0 40 GFAB O=C(CSc1ccc(F)c(Cl)c1)NN1C(=O)NC2(CCCCC2)C1=O 7582837 HPIXDKSQQUONGE-UHFFFAOYSA-N 385.848 2.857 0 40 GFAB CN(CCOc1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8849620 UVINRUMZUFRGKC-UHFFFAOYSA-N 383.857 2.530 0 40 GFAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 9745117 ICAXOKNRVHDFMK-UHFFFAOYSA-N 379.420 2.583 0 40 GFAB O=C(CCC(=O)N1CCOCC1)Nc1ccc(-n2cnc3ccccc32)cc1 10427459 SKOHIKRNLINHEM-UHFFFAOYSA-N 378.432 2.603 0 40 GFAB O=S(=O)(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 10518327 OWKYBDJKOWRYRM-UHFFFAOYSA-N 386.882 2.582 0 40 GFAB Cc1cc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)oc1C 12223032 FDXVVRVEACCBFQ-IBGZPJMESA-N 375.494 2.839 0 40 GFAB Cc1ccc(C2(CN3CCC(NC(=O)[C@@H](C)N4CCCC4=O)CC3)CC2)cc1 12337264 IMNRRXWSRXQKCF-GOSISDBHSA-N 383.536 2.618 0 40 GFAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3cc(OC)ccc3c2)C1=O 12752176 UAALMUKCCFFETP-QFIPXVFZSA-N 397.475 2.920 0 40 GFAB CCSc1ccccc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 12802688 CVEJOGGRCICWOW-UHFFFAOYSA-N 397.544 2.873 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 12904895 PEDMCTUWRXRIEB-UHFFFAOYSA-N 381.837 2.914 0 40 GFAB NC(=O)CCN(Cc1ccccc1)C(=O)CSCc1ccc(C(=O)O)cc1 12946053 ZFTVLLQICVEPMM-UHFFFAOYSA-N 386.473 2.522 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c3ncccc23)CC1 12984734 MCUMSTNRJDTBIU-UHFFFAOYSA-N 381.885 2.888 0 40 GFAB CNC(=O)c1sccc1-n1c(=O)c2ccccc2n(Cc2ccccc2)c1=O 13692884 CGEBCIOKGZTNAM-UHFFFAOYSA-N 391.452 2.622 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 13696926 BGDFCICXSKXSOY-UHFFFAOYSA-N 399.472 2.745 0 40 GFAB Cn1c(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)nc2ccccc21 15674130 HLCWZDWBDQKJFK-QAPCUYQASA-N 375.432 2.931 0 40 GFAB biogenic,in-vitro O=C(NCc1ccccc1-n1ccnc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 19349502 QFYVWJITVQTCLF-UHFFFAOYSA-N 387.399 2.921 0 40 GFAB CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19446848 AHWULOJENQKRJC-NHCUHLMSSA-N 398.555 2.757 0 40 GFAB Cc1ccc(NC(=O)c2cn3cccc(C)c3n2)cc1S(=O)(=O)N1CCCC1 19718796 SUNWXCNGTUQUAV-UHFFFAOYSA-N 398.488 2.988 0 40 GFAB CC(C)Oc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20048009 HDEOESVMTSOLKR-SFHVURJKSA-N 390.461 2.640 0 40 GFAB CCOc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1OCC(C)C 20892997 FTWMNVBBSUWGIQ-INIZCTEOSA-N 379.453 2.572 0 40 GFAB CCOC(=O)C1=C(CN2CCn3cccc3[C@H]2C)NC(=O)N[C@@H]1c1ccccc1 22063753 INVYJCIZTYQUDL-FOIQADDNSA-N 394.475 2.736 0 40 GFAB CC(C)c1ccc(CN2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1 23791736 KUIZKWIKOZWDQU-UHFFFAOYSA-N 394.519 2.936 0 40 GFAB O=C1N=C(O)[C@]2(Cc3cccc(F)c3N3CCOC[C@H]32)C(=O)N1c1ccccc1 25185147 TVBCTALBKNVSJY-HRAATJIYSA-N 395.390 2.697 0 40 GFAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)cc1 25580532 NLJQLQZYQUYOBE-FQEVSTJZSA-N 392.565 2.980 0 40 GFAB O=C(CSc1ccncc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 27646048 HWFBFOHHJQAOSZ-UHFFFAOYSA-N 375.881 2.812 0 40 GFAB O=C(NC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 29092415 GYKDBUGZSGJJOB-KRXBUXKQSA-N 396.418 2.989 0 40 GFAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 29718997 FGVMDDPBPPABRV-TZIWHRDSSA-N 388.439 2.597 0 40 GFAB CC(C)OCCCNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955381 GIRFQWPQLCMSDA-UHFFFAOYSA-N 386.496 2.880 0 40 GFAB COCCNC(=O)COc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 32579122 ZRKOZGDAPTWQES-UHFFFAOYSA-N 383.404 2.554 0 40 GFAB CCc1nn(C(N)=O)cc1NC(=O)c1ccc(COc2ccc(C(C)=O)cc2)o1 32604207 TVYVATMOXLMKBE-UHFFFAOYSA-N 396.403 2.999 0 40 GFAB COCc1nnc(NC(=O)c2cccc(-n3cnc4ccccc4c3=O)c2)s1 36359026 MFPIYHZZZVPVIP-UHFFFAOYSA-N 393.428 2.636 0 40 GFAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccn[nH]3)c3cnn(C)c3n2)cc1 36616608 CHNFTMNTWBPYKI-UHFFFAOYSA-N 376.420 2.639 0 40 GFAB O=C(Nc1nc(S(=O)(=O)Cc2ccccc2)ns1)c1cccc(F)c1 36626366 RDGWTAJHZLGZOL-UHFFFAOYSA-N 377.422 2.903 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)NCCc1nc2ccccc2s1 36784019 JLQIPLRNCMYXNI-UHFFFAOYSA-N 383.473 2.736 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 44840081 ZVOYZADKLRHEQK-MRXNPFEDSA-N 379.460 2.759 0 40 GFAB COCc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc2[nH]1 44903088 XVOZBUOFNADEKL-LBPRGKRZSA-N 382.395 2.840 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cccnc1OCc1ccccc1)CS2 48231794 PWUZVOMCFSQLBL-UTKZUKDTSA-N 397.500 2.731 0 40 GFAB Cc1ccc(NC(=O)CN2CCC[C@H]2C(=O)NCC(F)(F)F)c(Cl)c1 54991334 ZXTMMOMYAVNAGW-ZDUSSCGKSA-N 377.794 2.730 0 40 GFAB CN([C@@H](C(N)=O)c1cccc(F)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 58279007 UFWLBCQCUAZVHT-QGZVFWFLSA-N 378.469 2.970 0 40 GFAB COC(=O)c1sc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)nc1C 58345181 FKGUCNGLRDRBMP-ZDUSSCGKSA-N 393.440 2.770 0 40 GFAB COCCCN1CCCN(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)CC1 58393965 GALHWPLNEUQAEL-SOFGYWHQSA-N 398.450 2.881 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)NC1CCN(S(=O)(=O)c2ccccc2)CC1 61720395 XQZDGAOTXTYOTI-UHFFFAOYSA-N 397.500 2.680 0 40 GFAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980170 XYSBGIGSRLQMHN-CQSZACIVSA-N 387.263 2.731 0 40 GFAB Cc1cc(C(=O)Nc2ccc([C@H]3NC(=O)c4ccc(C)nc4N3C)cc2)on1 72341192 BNKSGWKUIBRDED-KRWDZBQOSA-N 377.404 2.817 0 40 GFAB CC(C)n1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O 72400861 DJXXAZQKMVBRMX-UHFFFAOYSA-N 376.460 2.940 0 40 GFAB O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 89775024 WCKDOVYTZFNDLH-QAPCUYQASA-N 379.428 2.800 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 89939194 VKFWGFMQOPCIQX-ZDUSSCGKSA-N 382.386 2.590 0 40 GFAB Cn1cc(CCC(=O)N2CCC([C@H](CC(=O)O)c3ccc(F)cc3)CC2)cn1 95364999 ASFOVDVYBCEZCG-LJQANCHMSA-N 387.455 2.989 0 40 GFAB COC(=O)[C@](C)(c1ccccn1)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 95459809 DEZAGULIXNNPEJ-KUHUBIRLSA-N 376.457 2.718 0 40 GFAB O=C(Cn1ccc2c(Br)cccc21)NCCc1nnc2ccccn12 95474110 ARRAPUQKHDBADU-UHFFFAOYSA-N 398.264 2.805 0 40 GFAB CCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2cccnc2)CC1 95955900 GFKASOYWRQOHSW-UHFFFAOYSA-N 380.901 2.678 0 40 GFAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 95993116 XKCJCEWVYOUJND-OAHLLOKOSA-N 385.431 2.931 0 40 GFAB COCCN1CCN(c2ccc3ccc(C(=O)NCc4cccs4)cn23)CC1 96155906 IEEWGVNUVIGKIE-UHFFFAOYSA-N 398.532 2.699 0 40 GFAB O=C(Cn1nc(Cl)ccc1=O)Nc1cccnc1SCc1ccccn1 96231163 INWDIZZDVGBJNA-UHFFFAOYSA-N 387.852 2.618 0 40 GFAB CN(C)CCN1CCC2(CC1)C[C@H](NC(=O)c1cccnc1)c1ccccc12 96241442 QQGTWGPOQFJMKO-NRFANRHFSA-N 378.520 2.852 0 40 GFAB C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 96402235 RNYHQBNYJKNZKU-HNNXBMFYSA-N 396.443 2.841 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(=C\c1ccccc1)NC(C)=O 97653892 CGMNWDUNBWZPCD-QFGUUYLXSA-N 382.416 2.743 0 40 GFAB CCN1C[C@H](c2cc(O)n3ncc(C(=O)Nc4cccc(Cl)c4)c3n2)CC1=O 100665841 VIPMOKQODBOHIY-LLVKDONJSA-N 399.838 2.676 0 40 GFAB COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 102648651 IVLMVTZOFRAIBA-UZLBHIALSA-N 394.537 2.652 0 40 GFAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 107821489 KWYSPCCZFOTWBZ-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2c(Cl)ccc(N)c2O)C1 201262312 LOLRCOMOCAVTAI-JTQLQIEISA-N 390.889 2.801 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220615720 ZMSCMZOZRJTLHJ-IBGZPJMESA-N 390.505 2.865 0 40 GFAB COc1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c(OC)c1 222447847 XSUCQOVYKUZRKW-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N(C)C 223243002 DRQNYFHNFFOYTQ-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccccc1 224664469 RNRUKSMIKPLTGA-UHFFFAOYSA-N 391.445 2.622 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C)cc3C)CC2)cc1 225422312 ZYZFYSAROUVUIX-UHFFFAOYSA-N 386.517 2.687 0 40 GFAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225738120 SWKHEXKIQPMKFA-NRFANRHFSA-N 392.496 2.848 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)ccc1F 238836432 GUYLGCLEJFMBDU-JOCQHMNTSA-N 394.424 2.587 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1F 239611993 FGPUAAADZHSPBX-MRXNPFEDSA-N 391.468 2.572 0 40 GFAB COc1cccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)c1OC 254843599 CTNWWJZSVDYXIH-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257281179 OOABQPIQFIQRAI-GOSISDBHSA-N 389.883 2.915 0 40 GFAB N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(Cc2ccccc2)CC1 257340068 ZEHVCOMAVHRJSL-LGKPFJOYSA-N 384.495 2.988 0 40 GFAB O=C([C@@H]1CCCN(c2ncc(Cl)cc2Br)C1)N1CCOCC1 302543320 IFKRPTGSDCZZDN-LLVKDONJSA-N 388.693 2.573 0 40 GFAB Cc1ncsc1CN1CCN(c2nccn3c(-c4cccnc4)cnc23)CC1 306140386 URSBVHBGMQJYOP-UHFFFAOYSA-N 391.504 2.878 0 40 GFAB O=C(Cn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21)NCc1ccco1 409139061 LXKQDXXMEWDBQH-PXNMLYILSA-N 381.413 2.875 0 40 GFAB COc1ccc(CNc2ncccc2S(N)(=O)=O)c(OC2CCCC2)c1 531121156 ASRXWABXBOCEMO-UHFFFAOYSA-N 377.466 2.671 0 40 GFAB CCN(c1ccnc(NC(=O)N2CCO[C@]3(CCCOC3)C2)n1)C1CCCC1 554484613 QOTZOQTVHQFARA-HXUWFJFHSA-N 389.500 2.659 0 40 GFAB CC(C)S(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 575402636 DMYUIOLIWYKOQY-KRWDZBQOSA-N 382.526 2.598 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H](OCCO)c3ccsc3)c2O1 575618758 CECPOMOVUNOEKF-QGZVFWFLSA-N 391.489 2.707 0 40 GFAB C[C@H](C(=O)NCc1ccc(OC(F)(F)F)cc1)n1nc(C2CC2)ccc1=O 575620715 SODYBHZZYNBLEC-LLVKDONJSA-N 381.354 2.897 0 40 GFAB CC(C)n1ncc2c1C[C@@H](N[C@H]1CCCc3ccc(S(N)(=O)=O)cc31)CC2 579413272 KFDQABYIUIJZAY-LPHOPBHVSA-N 388.537 2.636 0 40 GFAB CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@H]1CNC(=O)c2ccccc21 585123557 WXFWPAQLNONIMB-YWZLYKJASA-N 387.867 2.926 0 40 GFAB Cn1cc([C@H]2CCCCN2S(=O)(=O)c2ccnn2CCc2ccccc2)cn1 621284120 JDLBQGBVFZNTOA-LJQANCHMSA-N 399.520 2.775 0 40 GFAB C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)N=c1ccn(-c2ncccc2F)[nH]1 652777685 FXQQDUQGUOKLRX-AWEZNQCLSA-N 398.417 2.710 0 40 GFAB C[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1nc(C(F)(F)F)no1 1623586710 HXCXAMLGKADVQB-QMMMGPOBSA-N 381.318 2.767 0 40 GFAB O=C(c1ccccn1)N1CCC(COc2ncc(Br)cn2)CC1 1775995606 BBQKYZVNHGKXOD-UHFFFAOYSA-N 377.242 2.565 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(COc3ccc4nccn4n3)CC2)s1 1888906596 BHHOJRLIIJFQLK-UHFFFAOYSA-N 392.506 2.579 0 40 GFAB Cc1ccc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)s1 2055738954 DMTDOSUPAKUESE-UHFFFAOYSA-N 390.534 2.879 0 40 GFAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 12373993 BAVLGEURHHDALH-UHFFFAOYSA-N 381.480 2.793 0 40 GFAB CC[C@@H]1Oc2ccccc2N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O 804284 NWFATAPITMPNDI-KRWDZBQOSA-N 398.459 2.567 0 40 GFAB Cc1c(NS(=O)(=O)c2ccc(-n3cccn3)c(F)c2)cccc1C(=O)O 78814935 JWJYKPXXEPRISD-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CN2CCOc3ccc(Cl)cc32)n1 78903144 NDBVYAXRDSMDQT-ZDUSSCGKSA-N 376.888 2.805 0 40 GFAB COCC(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2n2nnnc12 1376829 MPPUDFKOUZCMPR-UHFFFAOYSA-N 389.459 2.804 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 23183634 HUZOARSGTHWOGC-FXAWDEMLSA-N 382.460 2.739 0 40 GFAB COc1ccc(C[C@H](CO)[C@@H](CO)Cc2ccc(OC)c(OC)c2)cc1OC 1583435 RCYOEYNMEUHMEP-QZTJIDSGSA-N 390.476 2.723 0 40 GFAB biogenic,in-vitro Cn1ccnc1C(=O)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1 23270458 YNHZOMRDYHQTBI-UHFFFAOYSA-N 396.472 2.861 0 40 GFAB Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(C)c1 975167 JZWYIRYKKYBXJU-ZWKOTPCHSA-N 399.450 2.780 0 40 GFAB Cc1cc(C)n2nc(SCC(=O)N3c4ccccc4NC(=O)C3(C)C)nc2n1 4313252 YMZHTYQVVCLBOR-UHFFFAOYSA-N 396.476 2.597 0 40 GFAB CC(C)(C)NC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 4848223 RGUUZPDVOUJRRY-UHFFFAOYSA-N 396.491 2.744 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)N(C)Cc1ccccc1 7600206 YCTAIXSAMFHQEM-UHFFFAOYSA-N 379.416 2.696 0 40 GFAB COc1ccc(S(=O)(=O)NCCNC(=O)C2CCC(C(C)(C)C)CC2)cc1 26185273 ASQFCWGGAYCRCM-UHFFFAOYSA-N 396.553 2.942 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 20019633 QDPMHHXHKWPCOZ-AWEZNQCLSA-N 394.468 2.598 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O 57485855 JHNUGUXQUPDCDW-UHFFFAOYSA-N 391.880 2.605 0 40 GFAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 58010630 QGXPDSBNXUPMAA-DZGCQCFKSA-N 385.365 2.705 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 58088557 UCQLLRUJBHSSRT-LFIBNONCSA-N 399.516 2.552 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 57757023 ZNBCYMICNDWDCH-IBGZPJMESA-N 394.431 2.782 0 40 GFAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 58245046 IFFLSJXMABJBOP-UHFFFAOYSA-N 384.461 2.895 0 40 GFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCCC[C@@H]1CNC(N)=O 58341651 AXLKFFWRQBFUIF-MRXNPFEDSA-N 381.542 2.812 0 40 GFAB CCc1cccc2c1N(S(=O)(=O)c1ccc(CCNC(C)=O)s1)CC2 58305593 SJWCRBWZCBJJKJ-UHFFFAOYSA-N 378.519 2.741 0 40 GFAB CCCN(C(=O)Cc1csc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 3336412 FJQQOLBLUCJOGJ-MRXNPFEDSA-N 378.519 2.778 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 3385190 RZFJLRKRBUONMQ-UHFFFAOYSA-N 386.452 2.683 0 40 GFAB CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 2473941 SNZSDTRRGFGHBZ-HNNXBMFYSA-N 398.843 2.604 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 21094267 CXXOJAVJBLBHLL-INIZCTEOSA-N 396.443 2.929 0 40 GFAB CCN(CC(=O)N(C)C)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 48309725 OYDCCAFTTBIVBS-UHFFFAOYSA-N 384.411 2.888 0 40 GFAB COc1cccc([C@H](NC(=O)c2cccc(NC(C)=O)c2)c2nccn2C)c1 29093269 KPGFFVWZVXGODA-IBGZPJMESA-N 378.432 2.907 0 40 GFAB O=C(CC1CCCC1)N1CCN(C(=O)c2cncc(Br)c2)CC1 29328771 ARMLGGGWRHNYGA-UHFFFAOYSA-N 380.286 2.709 0 40 GFAB O=C(/C=C/c1ccc(F)cc1)NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104181213 DWHHXZAZGAWQDF-MYNUTGAYSA-N 397.475 2.521 0 40 GFAB COc1ccc2cc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)oc2c1 2689580 DGDPGYSWDHQSST-UHFFFAOYSA-N 376.386 2.652 0 40 GFAB biogenic COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2N2CCOCC2)CC1=O 3448903 RJLCVQRXRSKYAF-MRXNPFEDSA-N 395.459 2.523 0 40 GFAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC(=O)NC1CCCC1 3518341 XUVSMKXQOSSDQW-UHFFFAOYSA-N 396.476 2.676 0 40 GFAB Cc1nc(-c2ccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2)cs1 12939192 ZBEHBSSWNBKPGL-MRXNPFEDSA-N 379.507 2.871 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NC[C@@H](O)c3ccc(Cl)cc3)cnc12 12923625 BTPNDYKKLWSEHU-QGZVFWFLSA-N 385.851 2.598 0 40 GFAB COc1cccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1OC 13000724 OEYXNOIOTMLPMS-OAHLLOKOSA-N 397.475 2.900 0 40 GFAB O=C1N(Cc2ccccc2)C(O)=N[C@@]1(Nc1ncc(Cl)cn1)C(F)(F)F 49547562 QNGRPGWRZDFKKV-CQSZACIVSA-N 385.733 2.757 0 40 GFAB CN(Cc1cccs1)C(=O)COC(=O)c1cc(Br)ccc1N 21369951 BXMYNBFKDMGTRY-UHFFFAOYSA-N 383.267 2.908 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nc[nH]n2)cc1 95957466 ORJSFIGJQMYNCK-UHFFFAOYSA-N 377.404 2.616 0 40 GFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O 5218655 USBYQUOIIMJVKY-SFHVURJKSA-N 395.312 2.649 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C 14051487 WBQQQIDMKFLBQW-UHFFFAOYSA-N 387.827 2.998 0 40 GFAB CC(C)NC(=O)CN(C)CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 14166698 DXMCYGZDAKYDSR-UHFFFAOYSA-N 394.928 2.782 0 40 GFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(N2CCOCC2)cc1 9338587 QGBXQYGRCYFGBN-UHFFFAOYSA-N 395.459 2.668 0 40 GFAB CC(C)c1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3)C2=O)cc1 95481461 PYIZVOIBLJUBDA-MOPGFXCFSA-N 391.431 2.742 0 40 GFAB CCn1c(NNc2nc3ccccc3c(=O)n2CC)nc2ccccc2c1=O 9482627 XSTVAAMZYCADLE-UHFFFAOYSA-N 376.420 2.585 0 40 GFAB CCCNC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 7224148 VTHNHRDELUQHAT-ZDUSSCGKSA-N 380.400 2.559 0 40 GFAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccc(N2CCCC2=O)cc1 7720663 QNTZOFBQSDNXMP-UHFFFAOYSA-N 389.506 2.970 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CSc3ccccc32)c1 7944940 KNUKBHDGBORKDX-UHFFFAOYSA-N 390.486 2.558 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(CSC)cc3)C2=O)cc1 8036800 WKWTXPWWZDRKAH-FQEVSTJZSA-N 399.472 2.670 0 40 GFAB Cc1csc2nc(CNc3ccccc3C(=O)NC[C@H]3CCCO3)cc(=O)n12 8156518 VNPMFFGXBGULFH-OAHLLOKOSA-N 398.488 2.585 0 40 GFAB COc1ccc(CCN(C)c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cc1OC 69923759 HOUYEYIAEUEBKO-UHFFFAOYSA-N 385.468 2.571 0 40 GFAB C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 72309746 ARYFRYCROXVAEX-SFHVURJKSA-N 397.523 2.933 0 40 GFAB COc1ccc(OC)c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 408627528 NQFZIEWWUKRUNE-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Cl)cc1Cl 408655025 KSVXGXKXNQXGLT-ARIMKUTISA-N 384.215 2.673 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408557676 HGFKIYADTPSZHX-OAHLLOKOSA-N 398.484 2.832 0 40 GFAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 216246793 PHZXWKQYUKPEGY-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cccnc4)C3)n2)s1 72382488 VEVJMIVOPGURGC-CQSZACIVSA-N 395.492 2.967 0 40 GFAB O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 72376275 SGJHCFWAIWXNLZ-MRXNPFEDSA-N 382.449 2.536 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 225019561 GHTPGPVEOJBIHR-CQSZACIVSA-N 376.478 2.890 0 40 GFAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1 224255089 RZSXXOWTYLLBEN-UHFFFAOYSA-N 394.504 2.913 0 40 GFAB CO[C@]1(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)CCC[C@@H](C)C1 225635269 OSBUCMGWVPKRSY-DYESRHJHSA-N 376.497 2.931 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223610359 YDVXHZNPTKMEKG-UXHICEINSA-N 393.516 2.681 0 40 GFAB COc1cc(NC(=S)N[C@@H](CC(=O)O)c2ccc(SC)cc2)ncn1 225220050 IIPUEFLAEBBMEW-LBPRGKRZSA-N 378.479 2.710 0 40 GFAB O=C(NCCc1cccs1)c1cnc(O)n(Cc2ccccc2Cl)c1=O 77099325 AKNJQXBGCIDDCV-UHFFFAOYSA-N 389.864 2.685 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1NC(C)=O 222840264 HPGYEOOSRPVAEM-CQSZACIVSA-N 399.582 2.767 0 40 GFAB Cn1nc(C(=O)N2CCC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)c2ccccc21 96228374 ZESGVEDIMLBCLL-JTSKRJEESA-N 382.508 2.680 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCc2cccnc2)Oc2ccccc21 247466529 CSOMFKMFUCXVEM-UNMKOGDSSA-N 377.444 2.653 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242437296 BXDKZJQBEPJDEQ-SCTDSRPQSA-N 393.892 2.849 0 40 GFAB Cc1nc2ccc(NC(=O)CN3C[C@H]4CC[C@H](Cc5cnccn5)[C@H]4C3)cc2[nH]1 257301673 RZIVBYJMROAGOH-GPMSIDNRSA-N 390.491 2.801 0 40 GFAB COc1cccc(C(=O)N2CCC[C@@H]2c2cncc(Nc3cnccn3)n2)c1 257249595 JIZWZTHTSQEFNE-QGZVFWFLSA-N 376.420 2.996 0 40 GFAB COc1cc2cc(C(=O)N[C@@H](C)C(=O)Nc3ccccc3)[nH]c2c(OC)c1OC 601471601 VEJISZFREVJHTC-LBPRGKRZSA-N 397.431 2.951 0 40 GFAB COc1cccc(CC2CCN(C(=O)c3cnn4c3[C@@H](CN)CCC4)CC2)c1 602585987 MIWYNBQAQAZSGI-GOSISDBHSA-N 382.508 2.823 0 40 GFAB COc1nccc2c(NC(=O)N3CC[C@@H](N4CCN(C(C)C)CC4)C3)cccc12 603035418 KBWXDTQGYGXQNI-QGZVFWFLSA-N 397.523 2.876 0 40 GFAB O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1Cc1cnnn1Cc1ccccc1 648055756 VAGMVBWGBOVMSC-QFIPXVFZSA-N 387.487 2.532 0 40 GFAB O=S(=O)(NC[C@@H]1CCCN(c2cc(Nc3ccccc3)ncn2)C1)C1CC1 663912431 LVHQFZJDXRTOTR-HNNXBMFYSA-N 387.509 2.518 0 40 GFAB O=C(NCCc1ccc2c[nH]nc2c1)[C@H]1CCCN1c1ncnc2ccccc12 671882037 JMONWKPWBRKKJG-HXUWFJFHSA-N 386.459 2.834 0 40 GFAB Cc1ccc(NC(=S)N(CCCCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 575419872 ABSACBASTFFDRA-MRXNPFEDSA-N 398.550 2.826 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1I 15597006 FTTJIETUSZLMBK-UHFFFAOYSA-N 379.157 2.713 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615128412 JCWUVTWKKQCHTB-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)Cc2ccc(OC)cc2)[C@@H]1CO 1772594977 MJCAOAKXIWKHKZ-HMXCVIKNSA-N 376.541 2.815 0 40 GFAB COc1ccccc1-n1c(S)nnc1-c1ccc(NS(C)(=O)=O)cc1 5447754 UOLAIOKRGJJZRI-UHFFFAOYSA-N 376.463 2.603 0 40 GFAB C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1 19080239 ACZNJOWTDHNDEX-OAHLLOKOSA-N 396.520 2.669 0 40 GFAB Cc1ccc(CNc2nc(Cn3c(C)nc4ccccc4c3=O)cc(=O)[nH]2)cc1 19210440 XDBJAAANEBHBID-UHFFFAOYSA-N 387.443 2.757 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19236987 HPUXACWYEUDBLN-ORGXJRBJSA-N 396.418 2.516 0 40 GFAB CCOc1cc2c(cc1CN1CCC[C@@]3(C1)OCCc1cnc(C)nc13)OCO2 19532473 FMGFXWMJRFCEMM-QFIPXVFZSA-N 397.475 2.976 0 40 GFAB COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc2c1OCO2 19549978 SALQQWIXTHOBNE-BEFAXECRSA-N 390.386 2.812 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@@H](C)Cn2nc(C)c(C)c2C)n1C 19556810 XBIOFYBMAODACM-XHDPSFHLSA-N 376.530 2.659 0 40 GFAB Cc1onc(-c2cccnc2)c1C(=O)N1CCC(O)(c2cccnc2F)CC1 19579697 KZEGZYWLMWLEIH-UHFFFAOYSA-N 382.395 2.703 0 40 GFAB CS(=O)(=O)c1c(F)cccc1NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 667881690 KCDFAPUXRFFRFS-ORAYPTAESA-N 375.421 2.908 0 40 GFAB COc1ccc(OC)c(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c1 19551523 SCLLVVQIIIZAFB-HNNXBMFYSA-N 390.505 2.882 0 40 GFAB Cc1nc2ccccn2c1C(=O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888897628 GNRBRKUPYCRTFF-OAHLLOKOSA-N 377.448 2.851 0 40 GFAB COc1ccc(C)c2sc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc12 1889201612 MLNVWVISOISYQJ-UHFFFAOYSA-N 381.523 2.618 0 40 GFAB CCc1n[nH]c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 14803141 TVGIPBCOJODOJH-UHFFFAOYSA-N 399.442 2.827 0 40 GFAB CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)s1 4341452 WTRQNPBEOUPSQQ-UHFFFAOYSA-N 397.489 2.960 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)NCc1ccccc1 4479123 LXUDCLVSYNOPNL-UHFFFAOYSA-N 393.834 2.552 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 9040524 OEXIIBQKQQDNIM-KRWDZBQOSA-N 397.475 2.865 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 35594959 HPXGZEHEFCFAMR-GOSISDBHSA-N 388.851 2.679 0 40 GFAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)Cn2c(=O)oc3ccccc32)C1 575414622 NZHABRYJSZKECS-HNNXBMFYSA-N 376.416 2.726 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)n1 40121578 LATWSMOKFYTGJN-CXAGYDPISA-N 376.526 2.768 0 40 GFAB COCC(=O)N1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 20716944 LCDHOIDOAABBOH-UHFFFAOYSA-N 391.471 2.620 0 40 GFAB Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)c2)n1 32592454 XYITZZBBBRFRPN-UHFFFAOYSA-N 396.428 2.584 0 40 GFAB CN(CCCC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 21278244 SZEVWRQQVQXBRW-UHFFFAOYSA-N 376.453 2.816 0 40 GFAB CCOC(=O)C1=C(COc2ccc(F)c3c2C(=O)C[C@@H]3C)NC(=O)N[C@H]1CC 32789289 HIPNUZROYJJLIC-JQWIXIFHSA-N 390.411 2.803 0 40 GFAB CN(CC(=O)NC(C)(C)C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 22276424 YCJKVXFCBZNUTO-UHFFFAOYSA-N 386.471 2.877 0 40 GFAB NC(=O)c1ncc(C(F)(F)F)cc1S(=O)(=O)Cc1ccc(Cl)cc1 1385420 BEQRJHIXJYNUTM-UHFFFAOYSA-N 378.759 2.827 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 1516630 MAQCZENHYFFOAI-UHFFFAOYSA-N 388.474 2.708 0 40 GFAB CCCC[C@@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2096005 AFAYYSBPZRDRBU-OAHLLOKOSA-N 375.421 2.802 0 40 GFAB biogenic CCOC(=O)c1ccc(S(=O)(=O)NNc2c(F)c(F)cc(F)c2F)cc1 2649669 ZNYOBFLYCRUQBI-UHFFFAOYSA-N 392.330 2.725 0 40 GFAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccc(Cl)cc1 3319041 MTPUBPZBUVGKLY-UHFFFAOYSA-N 383.629 2.971 0 40 GFAB COC(=O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 3655121 SEBPEWXCRMOLNA-UHFFFAOYSA-N 380.369 2.561 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCCC(=O)NC2CCCCC2)CC1 4682686 HFRSGBLCOCBFIO-UHFFFAOYSA-N 387.524 2.963 0 40 GFAB COc1cccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)c1 4853136 WGVGQPDSKXVUDD-UHFFFAOYSA-N 397.456 2.981 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)n2N)cc1 4916078 SJGMDARSSJRYKR-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(C)n2n1 5278029 PKNZCLUCRMMSMQ-UHFFFAOYSA-N 385.449 2.763 0 40 GFAB C[C@H](NC(=O)CCNC(=O)N1CCn2c1nc1ccccc12)c1ccccc1 5487414 OZYJCAUCWVJOPQ-HNNXBMFYSA-N 377.448 2.833 0 40 GFAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5920470 FPXUZHSQQSBQDY-MLGOLLRUSA-N 389.839 2.662 0 40 GFAB O=C(O)[C@@H]1CCCCN1Cc1c(-c2ccc3c(c2)OCO3)nc2ncccn12 6740872 SFOSQZSNDIAKIK-AWEZNQCLSA-N 380.404 2.564 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1 6947845 CINCOQXVUASCBC-ZDUSSCGKSA-N 388.370 2.808 0 40 GFAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NC[C@H]1CCCO1 7986896 FZBZDBPZKXNJER-CQSZACIVSA-N 387.436 2.559 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)c1ccccn1 8024639 WWNWTODFPZXPKH-OAHLLOKOSA-N 399.472 2.953 0 40 GFAB O=c1[nH]c(CSc2nnc(NC[C@H]3CCCO3)s2)nc2ccccc12 8216094 MRCKNXZSZJIODZ-SNVBAGLBSA-N 375.479 2.658 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1ncnc2ccccc12)[C@H]1CCS(=O)(=O)C1 8429496 YJMYSZNOYLVTBR-KGLIPLIRSA-N 393.534 2.536 0 40 GFAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(C)c2C)CCC3)n1 9520777 VAJPOEUCNFRLCA-UHFFFAOYSA-N 391.475 2.790 0 40 GFAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12100153 RBHCUFPCQXJPFB-UHFFFAOYSA-N 379.460 2.643 0 40 GFAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCc2ccccc21 12184450 OJVHSHRVWGPXHW-UHFFFAOYSA-N 385.427 2.511 0 40 GFAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N4[C@H](C)CCC[C@H]4C)nc3c12 12276439 VZVFEJCRFFEILC-VXGBXAGGSA-N 387.509 2.766 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1 12522861 ITBRCJRSWLFFPJ-UHFFFAOYSA-N 375.428 2.693 0 40 GFAB CCN1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)c2)CC1 12535855 DHTBOVWBTMZEQG-MRXNPFEDSA-N 389.544 2.562 0 40 GFAB Cc1cccc(C(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 12799816 WTMLQVWNFIVARU-SJORKVTESA-N 382.460 2.704 0 40 GFAB Cn1ncc2c(NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)ncnc21 12847391 PCITUIHFNXJRBH-UHFFFAOYSA-N 382.737 2.690 0 40 GFAB Cc1ccccc1CNC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 12911967 PDLSBQRSMMRXIA-UHFFFAOYSA-N 381.476 2.668 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1nc2ccccc2s1 13014149 POTIWUWDSDTUNU-UHFFFAOYSA-N 382.488 2.965 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 13673411 CSIBTOXAAZBURG-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB COc1ccccc1-c1cc(=O)[nH]c(N2CCN(c3ccccc3OC)CC2)n1 14608499 QEFAKLZXYNZBMA-UHFFFAOYSA-N 392.459 2.781 0 40 GFAB CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](NCCCc1ccncc1)C2 14743864 HKXFFDQTNCXLFD-SFHVURJKSA-N 383.540 2.716 0 40 GFAB Cc1ccn2c(=O)cc(CN3CCC(C(=O)NCc4ccccc4)CC3)nc2c1 16396478 XBKWFAGBYLSSBE-UHFFFAOYSA-N 390.487 2.531 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 16847844 HUOZBOJNMZMCNJ-INIZCTEOSA-N 385.445 2.857 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCc1nc4ccccc4n1C)(C3)C2 19021200 SQWKHVYVCMJTKR-WDXRGRCHSA-N 394.519 2.707 0 40 GFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cccs4)C3)[nH]c(=O)c2C1 19343446 ALLSOSPSNQLFMS-HNNXBMFYSA-N 398.532 2.506 0 40 GFAB COc1ccc(OC)c(CN2CC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 19551441 VSDPLSOZOUQJDT-HNNXBMFYSA-N 392.459 2.839 0 40 GFAB Cc1c(C(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)oc2ccccc12 19709253 YUMDQKBIPJBUGP-MRXNPFEDSA-N 393.491 2.840 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC1=CCCCC1 20061555 WJEKUDHACXTCOC-UHFFFAOYSA-N 392.521 2.636 0 40 GFAB Cc1cc(=O)n2nc(CSc3nc4ccccc4c4nc(C)nn34)sc2n1 21601923 NBLQVHONXRNKSU-UHFFFAOYSA-N 395.473 2.651 0 40 GFAB COc1ccc(CCNC(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1 22679253 OSCZAIYGTJNYNK-IBGZPJMESA-N 389.521 2.672 0 40 GFAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2cccc3ccccc23)CC1 22788326 VCMKOKXBIDEGJZ-NQIIRXRSSA-N 381.520 2.641 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C)cn1 23078804 WDFLDUBJRUJMPY-INIZCTEOSA-N 393.534 2.737 0 40 GFAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3F)sc2c1 23994085 SDWWDJCLUJBAMW-UHFFFAOYSA-N 379.438 2.938 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24149384 DTVIWIGSKKYFFH-UHFFFAOYSA-N 390.487 2.775 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)cc1Br 24991619 UAVGTAXWHOHQCG-CQSZACIVSA-N 389.315 2.900 0 40 GFAB C[C@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(N)=O 26098653 LXVOUNVLLYYYMW-AIYRYJHASA-N 398.259 2.864 0 40 GFAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc(-n2cnnn2)c1 33028443 CHBDSYMXULDGAN-LJQANCHMSA-N 396.882 2.883 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)nc1C 33154410 GVNMOSVZBHHDGF-CYBMUJFWSA-N 377.397 2.899 0 40 GFAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccc(F)cc1 33171819 QXBAQNJTKVBKDM-UHFFFAOYSA-N 384.436 2.724 0 40 GFAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1F 35572296 ZSMCDNAFXWSARV-LJQANCHMSA-N 398.434 2.744 0 40 GFAB Cc1ccn(CCNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)n1 36616222 KNFIWHOBGIOMMB-UHFFFAOYSA-N 380.477 2.940 0 40 GFAB CC(=O)c1cc(CCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)oc1C 40050150 YWJLTCIBGOMGJB-UHFFFAOYSA-N 386.433 2.912 0 40 GFAB CCOC(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 40160544 SNTIBHMASUZKRY-UHFFFAOYSA-N 379.888 2.857 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)c3c(F)cccc3F)n2)cc1 49027369 ZUVLPKKMOCAVJU-UHFFFAOYSA-N 375.331 2.865 0 40 GFAB Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3cc(F)cc(F)c3)cn2)n1 56096865 QWSGKLHMPJVJRD-UHFFFAOYSA-N 378.404 2.641 0 40 GFAB COc1ccc(-c2nc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cs2)cc1 61443149 AIZIVMZLRFZMHJ-SFHVURJKSA-N 393.468 2.871 0 40 GFAB O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc2c(c1)OCCO2 64948910 FGFHHAJMBMHSRK-UHFFFAOYSA-N 393.428 2.780 0 40 GFAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 65516015 ZZUVFHRDCSSFKF-HUUCEWRRSA-N 381.467 2.802 0 40 GFAB C[C@@H](CC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1ccnc1 72327795 KXGGTRQPRFAFOQ-CECAUBDESA-N 396.491 2.855 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C4CC4)CC3)n2)cc1OC 72334817 NGQLEUBEWVMBBN-UHFFFAOYSA-N 397.475 2.576 0 40 GFAB C[C@@]1(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C(=O)N=C2C=CC=CN21 72346715 RHYKWIUJWVYOSK-IIBYNOLFSA-N 375.432 2.699 0 40 GFAB COc1cccc(CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)c1 77100635 FEXRSLZKROJKJI-UHFFFAOYSA-N 378.476 2.959 0 40 GFAB O=C(NCCc1nccs1)c1cn(Cc2ccccn2)c(=O)c2ccccc12 79464730 UPGSHFQFGFEDMK-UHFFFAOYSA-N 390.468 2.874 0 40 GFAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccc2cc[nH]c2c1 79488126 CGJBQOLCPYQGSP-UHFFFAOYSA-N 391.475 2.634 0 40 GFAB CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc3oc(N(C)C)nc3c2)c1 89326915 YOCJADPSJUODAV-UHFFFAOYSA-N 381.436 2.917 0 40 GFAB Cc1cc(C)nc(N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 95971375 PEOPTJVSDZJFMM-UHFFFAOYSA-N 380.370 2.954 0 40 GFAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)[C@@H]1COc2ccccc2O1 96103737 HISMOJGFCGNCQS-HNNXBMFYSA-N 381.354 2.736 0 40 GFAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3cccc(OC)c3)ccc21 96182202 OCRNEGQCNJZXHK-UHFFFAOYSA-N 382.416 2.745 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cc(F)cc(F)c1)C2 96237782 WDTFESVKSYFWNW-NRFANRHFSA-N 385.414 2.528 0 40 GFAB Cc1ccnc(N2CCN([C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1 97165409 VKROAVVCWHPILJ-QGZVFWFLSA-N 388.537 2.524 0 40 GFAB COc1cc(NC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2cccnc2)C3)cc(OC)c1 100463873 MBJPKWOIKGJZAD-ROUUACIJSA-N 397.475 2.552 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 100750564 ATSPNJYHGGRMPU-OKZBNKHCSA-N 399.539 2.514 0 40 GFAB CC(=O)Nc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 121949965 FAFBPAHUZGKYAL-UHFFFAOYSA-N 397.450 2.748 0 40 GFAB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1sc(-n2cccc2)nc1C)C3 208037353 WXZUZTDRBGZXPQ-UHFFFAOYSA-N 378.461 2.792 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NC[C@H]1CCCO1 217583627 QSOZBWSBBQWMCA-OAHLLOKOSA-N 396.509 2.977 0 40 GFAB CCOC(=O)Cc1ccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)cc1 223038016 XGQQNZAKDYAVBY-UHFFFAOYSA-N 385.445 2.731 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223125908 YFUCJLNQRNDKGZ-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(F)cc1 224922074 DXSYHJIKSUVEPA-UHFFFAOYSA-N 381.425 2.983 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NCCSc3ccccc3)ccc21 225672583 BHRAEKZMINFKQE-UHFFFAOYSA-N 380.516 2.671 0 40 GFAB COc1ccc(NC(=O)C2(NS(=O)(=O)c3cccs3)CC2)cc1Cl 225930591 HFMIUQLBPSXKFM-UHFFFAOYSA-N 386.882 2.860 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2c1CCCC2 245227879 XIPKVCHJJFMJEA-KPARWEMLSA-N 376.456 2.557 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)C3)ncc2C1 247952556 RKIDMDMMDGBVLG-WOGUSJMUSA-N 382.508 2.523 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)[C@@H](C)N3C(=O)[C@H](C)Oc4ccccc43)cc2NC1=O 253375689 QQRXAMPKSVNRPE-AGIUHOORSA-N 395.415 2.547 0 40 GFAB Cc1ccc(C)c(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)c1 256048872 WTKLBMVYCFSOKD-UHFFFAOYSA-N 391.475 2.905 0 40 GFAB CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)s1 257302857 SESGZRSYWWUGDT-CYBMUJFWSA-N 380.539 2.938 0 40 GFAB CNC(=O)c1sc2nc([C@H]3CCCCN3Cc3cnccn3)ccc2c1N 257317201 VITCKBABCCVFOG-OAHLLOKOSA-N 382.493 2.755 0 40 GFAB CN(C)CCNC(=O)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 306129004 HRBZXBHSSBIMFH-UHFFFAOYSA-N 388.475 2.538 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408560264 ODYQKCSBJLFJJQ-LLVKDONJSA-N 398.868 2.663 0 40 GFAB O=C([C@@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 585095082 DDOJQSPOQFOGPD-UNMCSNQZSA-N 389.455 2.814 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc(C)c(C)o4)CC3)[C@H]2C1 585106290 ONZIJHTWSALWFT-JQHSSLGASA-N 387.524 2.738 0 40 GFAB CC(C)CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 585146906 GTTPVIIUKQDTKW-LLVKDONJSA-N 385.960 2.625 0 40 GFAB CC(C)N1CCC[C@H](NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C1 613579956 ZYOKQWACRIWFKW-ZDUSSCGKSA-N 381.402 2.889 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccc3c(c1)CCN(C)C3=O)CC2 667768084 ASCILBHIRYUKKL-UHFFFAOYSA-N 395.459 2.922 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 1848354163 ZGARCHDSLMCGND-QFIPXVFZSA-N 393.531 2.860 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cc1F 2055835200 GVMKAGKGZLHCGV-DYESRHJHSA-N 377.456 2.954 0 40 GFAB O=C1[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1CC(F)(F)F 2298031355 MGFGBKFQAQVVQA-AWEZNQCLSA-N 376.806 2.787 0 40 GFAB O=C(C1CCN(c2ncc(Br)cc2F)CC1)N1CCSCC1 2298042975 SZKXDFFGTGVPDJ-UHFFFAOYSA-N 388.306 2.775 0 40 GFAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1 1972615 QTFVLAQQZCAKMB-UHFFFAOYSA-N 386.791 2.508 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC)c(OC)c1 2249241 LLHFXVMRYIBJRS-MEDUHNTESA-N 390.461 2.916 0 40 GFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccccc3C)ccc12 2712205 CURXCLAIQYTMOA-UHFFFAOYSA-N 394.427 2.891 0 40 GFAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1 2720241 TZJLTYONTCJLOW-UHFFFAOYSA-N 378.454 2.584 0 40 GFAB O=C(COC(=O)CN1C(=O)C(=O)c2ccccc21)Nc1cccc2ccccc12 2972954 VSUZFFBYHCEKEA-UHFFFAOYSA-N 388.379 2.551 0 40 GFAB CCOC(=O)c1cc(-c2cc(Cl)ccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 3357906 YMNKRFCHMDSBIW-UHFFFAOYSA-N 394.214 2.772 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)O 3394759 NFYOXOIDASVLEH-SECBINFHSA-N 391.820 2.843 0 40 GFAB in-vitro O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)C12CC3CC(CC(C3)C1)C2 4492980 NFMOVTJRUKPXML-UHFFFAOYSA-N 380.444 2.794 0 40 GFAB Cn1c(=O)c2c(SCc3ccc(Br)cc3)ccnc2n(C)c1=O 4942256 VHQVZPSRLBWHGX-UHFFFAOYSA-N 392.278 2.687 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)c2ccccc2)cc1 5055089 NQTONIPXSJDBHR-FTUNRGFVSA-N 379.437 2.831 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)NCCc2ccccc2)n1C 5131129 YPSQWBRKFIPYIM-UHFFFAOYSA-N 382.489 2.942 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC[C@H]1CCCO1 6329175 MUXXOVAWYUDEMT-OAHLLOKOSA-N 397.566 2.635 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCC1 6416029 IAKGEQLBJHJVTH-LLVKDONJSA-N 389.315 2.565 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCCCC1 6509578 PUVLBVPQNCJMFX-HNNXBMFYSA-N 388.530 2.628 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2OC)s1 6784817 WJVFMXNUXNYULI-SECBINFHSA-N 381.483 2.617 0 40 GFAB COc1ccc(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 6786679 XHECVZIDVIMTDR-UHFFFAOYSA-N 396.487 2.915 0 40 GFAB CCOc1cc(C(=O)Nc2nn3c(C)nnc3s2)cc(OCC)c1OCC 6818158 NIEVTOSIWFDXFP-UHFFFAOYSA-N 391.453 2.943 0 40 GFAB CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccccc3)o2)CC1 6946982 ZHRXKFPLYSNPNG-UHFFFAOYSA-N 375.450 2.630 0 40 GFAB C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC1CCCCCC1 7190607 BDKDGDZLKNLDIQ-ZDUSSCGKSA-N 385.555 2.652 0 40 GFAB COc1ccc(CCN(C)C(=O)CCn2c(=O)oc3ccccc32)cc1OC 7278571 ATAOYHPKQLBNBA-UHFFFAOYSA-N 384.432 2.703 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)c1ccccc1 7723405 ZTZBWRNFQCLDED-UHFFFAOYSA-N 376.478 2.862 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 8864330 BFEUQNPVARXCNN-KRWDZBQOSA-N 391.924 2.971 0 40 GFAB O=C(CN1C(=O)S/C(=C2/C(=O)Nc3ccccc32)C1=O)Nc1ccccc1 9233815 HRTOBLRJQZJRQI-FOCLMDBBSA-N 379.397 2.684 0 40 GFAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n(C(C)C)n1 11695197 KVSSONZSTJXXHX-UHFFFAOYSA-N 396.538 2.873 0 40 GFAB COc1ccc(C2=NN(CC(=O)N(C)C)C(=O)c3cc4ccccc4n3C2)cc1 12113631 IPAHNDPVHMYAHU-UHFFFAOYSA-N 390.443 2.598 0 40 GFAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)[C@@H](C)Oc2ccccc2)[nH]c(=O)c1C 12127125 BTKVXBGWGFOPEY-CQSZACIVSA-N 393.447 2.856 0 40 GFAB O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)N1CCC[C@H]1CO 12390313 WIUMKVHFOYBELB-KRWDZBQOSA-N 397.402 2.961 0 40 GFAB biogenic CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCO3)O[C@H](C)C2 12552334 RUOLAVASKRXOSW-GFCCVEGCSA-N 391.445 2.981 0 40 GFAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C 12733344 IARAIRAQTYWXGL-UHFFFAOYSA-N 375.446 2.877 0 40 GFAB C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)cc1 12890981 NZMZBQPVRUCPMV-LRTDBIEQSA-N 381.407 2.612 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 12905668 TWJRPNDSCVHWJD-UHFFFAOYSA-N 394.431 2.829 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12926762 XNTKUKQWDJBHBS-UHFFFAOYSA-N 383.404 2.691 0 40 GFAB O=C(Nc1cccc(NC(=O)c2ccc[nH]c2=O)c1)c1ccc2c(c1)OCO2 12975481 HMTQSOVADFTHFF-UHFFFAOYSA-N 377.356 2.608 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)sc(C(=O)NC)c1C 13056163 QFSHMGUSTBSRIY-RYUDHWBXSA-N 395.525 2.509 0 40 GFAB Cc1cc2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)cc(C(F)(F)F)n2n1 13226836 MGLHUETWEBPOMJ-CQSZACIVSA-N 382.386 2.942 0 40 GFAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1)N1CCCC1 13848755 KFCLALIMGQMPML-UHFFFAOYSA-N 380.416 2.931 0 40 GFAB CC(C)OCCCNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944952 PNARDTDSGSANFK-INIZCTEOSA-N 389.471 2.629 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2c(C)noc2C)cc1 14118918 GDDYTEBDOGWPBJ-ZDUSSCGKSA-N 393.509 2.742 0 40 GFAB CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 16102266 AKFSMLYJKZHSPM-WFAGLZIHSA-N 375.424 2.988 0 40 GFAB O=C(O)CNC(=O)CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2 16429370 LGVIFOFDCBKPDI-UHFFFAOYSA-N 391.880 2.969 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2SC)ccc1OC 16681882 GDCWNLRRILOASG-UHFFFAOYSA-N 380.491 2.968 0 40 GFAB Cc1ccc([C@@H]2NC(=O)N[C@H](c3ccc(C)cc3)C23C(=O)NC(=O)N=C3O)cc1 17086900 LLJSRJURUFTWMF-IYBDPMFKSA-N 392.415 2.591 0 40 GFAB O=C1C[C@H](c2ccc(Cl)cc2)N2N=C(NC(=O)CCc3ccccc3)NC2=N1 18168662 FALZFTDAIQGTOG-MRXNPFEDSA-N 395.850 2.593 0 40 GFAB O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Nc1ccc(O)cc1 18263527 XNFKOUGWKLZLPN-LJQANCHMSA-N 384.413 2.503 0 40 GFAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)Cn3nc(C)ccc3=O)c2)C1 19712244 NGGNAXOPRRGUTF-UXHICEINSA-N 398.507 2.752 0 40 GFAB CCc1ccc(N2C(=O)N(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 20581491 AHBXBHKZHVWMMF-RBUKOAKNSA-N 388.464 2.996 0 40 GFAB CC(=O)c1ccc(NC(=O)c2nnn3c2[nH]c(=O)c2cc(Cl)ccc23)cc1 20726178 XAARGFZWYMXWEF-UHFFFAOYSA-N 381.779 2.679 0 40 GFAB CCc1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 21089995 AXLZVYWJXBKDEG-GOSISDBHSA-N 386.473 2.876 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 21556322 VUUDBTXGVJPXOC-OAHLLOKOSA-N 376.453 2.590 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCCSc3ccccc32)s1 21758781 QPNPUCOBQJTSFJ-UHFFFAOYSA-N 396.559 2.982 0 40 GFAB CCCCc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1 22423591 FKPRBWWSMNZRGT-UHFFFAOYSA-N 390.509 2.975 0 40 GFAB CCC(CC)[C@H](CNC(=O)c1cc(OC)c(OC)c(OC)c1)N1CCOCC1 22755326 ADUIAQRBBRNPPC-KRWDZBQOSA-N 394.512 2.579 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc(C)nc3c2c(C)nn3C)c(C)c1 24937248 QAZHVWHBEFWEQV-UHFFFAOYSA-N 379.464 2.879 0 40 GFAB CCOC(=O)C(NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)OCC 24977557 OHXCPMWSPWKPNC-UHFFFAOYSA-N 391.395 2.629 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 25104438 CJDVUTNHAPBMCF-KZULUSFZSA-N 389.835 2.900 0 40 GFAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 25216198 CPJNBLQIZVZOBS-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 30562966 OFVIUCRKISIOKY-INIZCTEOSA-N 380.448 2.606 0 40 GFAB CN(C)c1ccc(C(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 32778252 SLOGSUPQYSEBBX-UHFFFAOYSA-N 391.475 2.761 0 40 GFAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)c(C(F)(F)F)c1 32912712 MRLPMDRJCPLQRA-WRWORJQWSA-N 398.200 2.618 0 40 GFAB COc1ccc(CC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 36389945 FZZDOUOQAMCLKJ-QFIPXVFZSA-N 381.520 2.733 0 40 GFAB CC(C)=CCN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 36404285 AFNIYXMEOBPJGB-UHFFFAOYSA-N 378.416 2.858 0 40 GFAB CC(C)C(NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C(C)C 38849206 IOHUTKLUJIHRDV-HNNXBMFYSA-N 388.917 2.664 0 40 GFAB O=C(NCc1cn2cc(Cl)ccc2n1)C1CCN(C(=O)c2ccco2)CC1 40043128 WIGZGTASBKMIAD-UHFFFAOYSA-N 386.839 2.749 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc1 44841680 MDMZSKNERDDNOQ-UHFFFAOYSA-N 388.807 2.881 0 40 GFAB CCn1cc(NC(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cn1 47500032 NXODYXNJXBEGJC-UHFFFAOYSA-N 379.823 2.685 0 40 GFAB CNC(=O)c1ccc(C)c(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1 47841071 HBVJMPQFRSTOCY-UHFFFAOYSA-N 387.411 2.724 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CC(c3nc(-c4cccs4)no3)C2)c1 49483828 VUGHFSKRATZANH-UHFFFAOYSA-N 389.458 2.789 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 50578399 STNMJTSLZFZJEX-UHFFFAOYSA-N 376.460 2.835 0 40 GFAB O=C(Nc1cccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1)NC1CC1 54833588 XXKASHRTVPDKTH-KRWDZBQOSA-N 399.472 2.619 0 40 GFAB O=C(CSCc1cc(=O)n2ccsc2n1)NCc1cccc(Cl)c1 57421587 BMHZYOSKWSQHJJ-UHFFFAOYSA-N 379.894 2.959 0 40 GFAB CCCCNC(=O)CN1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 58176688 KHQYHIJITNAYMJ-UHFFFAOYSA-N 395.429 2.687 0 40 GFAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccc(-n2cncn2)nc1 58297065 OIQKBIHFFBUJAG-UHFFFAOYSA-N 393.382 2.821 0 40 GFAB O=C1CCC(=O)N1Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 63443703 HSJNJYFCQGKTHZ-UHFFFAOYSA-N 378.837 2.790 0 40 GFAB CCCN(CCC)C(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O 67208744 PICDVOBYFRYPGR-UHFFFAOYSA-N 381.480 2.769 0 40 GFAB C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 70173473 RUAQCFIYLGHWAB-UWVGGRQHSA-N 381.723 2.850 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 71335154 HRIROBUYCMGIAW-SPLOXXLWSA-N 393.443 2.679 0 40 GFAB COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4[nH]nc5c4C[C@@H](C)CC5)C[C@@H]32)cc1 72339653 HWEAVOIBVAYWSG-CRKFXISPSA-N 395.503 2.913 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 72359894 UVFUYJFQMFGAKB-HNNXBMFYSA-N 375.469 2.669 0 40 GFAB Cc1ccsc1[C@@H](O)CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 77184093 JXTHSJNZIQCFCT-INIZCTEOSA-N 381.519 2.631 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)OC2CN(c3nc4ccccc4s3)C2)c1 77200629 IANJOBUACZQFOB-UHFFFAOYSA-N 388.470 2.745 0 40 GFAB Cn1ncc(C(=O)OCCNc2ccc(C(F)(F)F)cn2)c1-n1cccc1 84303421 OMLJPLKYVZVFIW-UHFFFAOYSA-N 379.342 2.894 0 40 GFAB Cn1c(-c2ccncc2)nn(CN2CCN(Cc3ccccc3)CC2)c1=S 84304513 KRNXMUIJNVJLHC-UHFFFAOYSA-N 380.521 2.788 0 40 GFAB C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1nc2ccccc2[nH]1 96402340 DRQPYCLENATDOT-AWEZNQCLSA-N 378.432 2.946 0 40 GFAB CCOc1cccc2s/c(=N\C(=O)c3ccc(S(C)(=O)=O)cc3)n(C)c12 101042103 KZRDRZCNPJEINP-HNENSFHCSA-N 390.486 2.783 0 40 GFAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 102625833 QAGUXRWQZDNBFH-WCVJEAGWSA-N 392.242 2.905 0 40 GFAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NC[C@H]1CCOc2ccccc21 108822526 MXLWDLIWPVQHCO-OAHLLOKOSA-N 380.448 2.667 0 40 GFAB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(C)c1O 108945274 ROPLOZGCALKDEI-SXGWCWSVSA-N 383.379 2.680 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OC 216352847 DFSPTFGILZIYOK-CYBMUJFWSA-N 392.477 2.875 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218112095 VMLXYKQNDWKYQR-HBFSDRIKSA-N 390.457 2.661 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)NCC1=CCCCC1)S(C)(=O)=O 223670290 BXCBKKOWAJDDJZ-UHFFFAOYSA-N 386.901 2.731 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cccnc2O[C@H]2CCSC2)n1 225727169 HIKMBRGGJHWIAC-LBPRGKRZSA-N 393.490 2.780 0 40 GFAB COc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c1 225928608 DJXPESWEDLYVME-UHFFFAOYSA-N 376.478 2.596 0 40 GFAB Cn1ccc(NC(=O)CCCOc2nn(C)c3ccc(Br)cc23)n1 226865256 VGZFIWHRJBTXRH-UHFFFAOYSA-N 392.257 2.867 0 40 GFAB COc1ccccc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 244456862 ZEQLSIWJYPQEPI-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257238476 HLDQBCFPGWKEDS-RWHKXBQASA-N 379.455 2.943 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(S(=O)(=O)C(C)C)CC2)ncn1 257321125 WAEQGCUXVOICID-UHFFFAOYSA-N 378.498 2.741 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)O)(c2ccccc2)CC1 408547016 QJKXHSYVSVKXQG-UHFFFAOYSA-N 396.443 2.530 0 40 GFAB Cc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1 408630376 SRMXDSSHYLALIW-UHFFFAOYSA-N 376.522 2.846 0 40 GFAB O=C(Nc1nc2ccc(F)cn2n1)c1cnc(OC2CCOCC2)c(Cl)c1 565996373 NXIQCQCGKZFSPL-UHFFFAOYSA-N 391.790 2.727 0 40 GFAB CSCC[C@@H](C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)n1cccc1 575444002 NHOUAUBAADDHED-KRWDZBQOSA-N 393.534 2.961 0 40 GFAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CC[C@@H](C)[C@H](O)C2)C3)c1 585103673 IAJKDPGQRAJEKT-HMXCVIKNSA-N 386.536 2.709 0 40 GFAB CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21 585109602 CURVMKCHJWCECO-OAQYLSRUSA-N 378.472 2.907 0 40 GFAB C[C@@]1(O)CCN(C(=O)C2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 604383271 RCMSFDIDABRCBE-ABSDTBQOSA-N 376.522 2.858 0 40 GFAB biogenic,in-vitro CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 609562366 HPZLWPKIMWZHMC-DZGCQCFKSA-N 385.555 2.712 0 40 GFAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 611978317 MQAYVQAUUCNHDF-UHFFFAOYSA-N 376.416 2.987 0 40 GFAB O=C(O)c1cn([C@@H]2CCCN(C(=O)CCc3ccccc3C(F)(F)F)C2)nn1 630197380 PRDORZCPUKUZFI-CYBMUJFWSA-N 396.369 2.791 0 40 GFAB O=C(c1nnn(C2CCNCC2)c1C(F)F)N1CC[C@@H](Cc2ccccc2)C1 637924140 HROTVRZRAHQQGH-HNNXBMFYSA-N 389.450 2.845 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@H]3CCCC[C@@H]32)C1 659196428 UPWNJZQGQDAVAE-JCECYMMASA-N 378.513 2.763 0 40 GFAB O=C([C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)N1CCSCC1 1888913796 ACQPOYRNLSBZMZ-OAHLLOKOSA-N 375.321 2.770 0 40 GFAB O=C(c1ccc(F)c(Cl)c1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772669 LSPYZRLBGYCATM-UHFFFAOYSA-N 390.846 2.539 0 40 GFAB CCOc1ccc(NCc2nnc(SCC(N)=O)n2-c2ccccc2)cc1 997614 WAQKXFSHZQRWFH-UHFFFAOYSA-N 383.477 2.856 0 40 GFAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 23081310 AFDQOUGZSKKARI-JTQLQIEISA-N 391.474 2.850 0 40 GFAB O=C(NCCc1nccs1)c1cn(Cc2ccncc2)c(=O)c2ccccc12 79495361 PNXPQJOEFJIDML-UHFFFAOYSA-N 390.468 2.874 0 40 GFAB c1cnn(-c2ccc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1 23290459 DLAAUZLXJQMPJO-UHFFFAOYSA-N 376.460 2.919 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)c1 2725064 LIGHKPRYUYPXNX-SANMLTNESA-N 377.466 2.670 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@H]2CCCC[C@@H]2C1 23428865 BWWYBRYBOWYFEM-BRWVUGGUSA-N 384.476 2.849 0 40 GFAB Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3519332 UZXNCQJDRZKJOI-NRFANRHFSA-N 381.407 2.856 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3)CC2)cc1 3614122 IVWMDPPUQZXJRY-UHFFFAOYSA-N 390.530 2.620 0 40 GFAB O=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 4575177 QEEKAHKIEQSQQM-GOSISDBHSA-N 392.908 2.852 0 40 GFAB Cc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3F)CC2)cc1 4910153 SEFHWHDUGVPYJA-UHFFFAOYSA-N 383.467 2.645 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 7429732 AUAKKYJJBZEWFR-OAHLLOKOSA-N 384.407 2.923 0 40 GFAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1 25170460 UZDPSHBWIRHMSF-UHFFFAOYSA-N 383.448 2.565 0 40 GFAB COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1OC 8470196 LOBGYDTWBBWHGX-QGZVFWFLSA-N 384.432 2.865 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)N(C(C)C)C(C)C)cc(OC)c1OC 3289373 UFQRESADYRREMJ-CMDGGOBGSA-N 379.453 2.914 0 40 GFAB Cc1ccc(SCCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 26396402 PWOGYOBIHKQCFP-UHFFFAOYSA-N 389.521 2.848 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(CCCOc2ccc(F)cc2)CC1 44740853 SKWLPHZXNJXISP-SFHVURJKSA-N 377.504 2.613 0 40 GFAB Cc1ccc2c(c1)N(C(=O)CSc1nc3ccccc3c(=O)n1C)CCO2 57472355 KHXNUJQTYZYCHO-UHFFFAOYSA-N 381.457 2.760 0 40 GFAB COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1 58217584 FZQXSIUJYFQMBD-MRXNPFEDSA-N 378.432 2.719 0 40 GFAB CNC(=O)c1cc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)ccc1Cl 58200884 VENHGXRMWSTOIC-HNNXBMFYSA-N 377.828 2.686 0 40 GFAB COC(=O)c1ccoc1CSc1nnc(COc2c(C)cccc2C)n1N 58371029 XVQCLDIUFTUJBG-UHFFFAOYSA-N 388.449 2.860 0 40 GFAB Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 57460512 FRDYSJMABARJBA-IZZDOVSWSA-N 381.451 2.930 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(=O)N3)cc1 2362396 OJHDFCWUZDGGNU-XLNAKTSKSA-N 389.415 2.870 0 40 GFAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCC[C@H]1C 2320204 LQNXVZFHMFUBTQ-GFCCVEGCSA-N 389.452 2.785 0 40 GFAB CC[C@H](CCNS(=O)(=O)c1cnn(C)c1C)n1nc(C(F)(F)F)cc1C 36614716 OTPQADQBHPKDNC-GFCCVEGCSA-N 393.435 2.572 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 10153456 ZMPGKJFLEHBQSA-MRXNPFEDSA-N 377.404 2.784 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113957673 SCKCACODZCHZFU-LLVKDONJSA-N 384.404 2.767 0 40 GFAB CCc1nnsc1C(=O)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29853374 CHBPWLDEGUMMGM-UHFFFAOYSA-N 389.506 2.775 0 40 GFAB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1nc(N)nc(N(C)C)n1 12888743 WUHZELBGSBXVHS-ZKXNXJMVSA-N 386.460 2.801 0 40 GFAB Cc1nn(CCCNC(=O)c2cc(C)n(C(F)F)n2)c(C)c1Br 2732728 OYBRNWOSDWNWIP-UHFFFAOYSA-N 390.232 2.983 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(Br)c1 3505489 GGZRWYGUAABNLD-UHFFFAOYSA-N 380.242 2.642 0 40 GFAB COc1ccc(C(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 3530298 QCNDGGYGMSDXFH-UHFFFAOYSA-N 396.848 2.939 0 40 GFAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)S(=O)(=O)c1ccccc1 12985130 NEAKILMCBRBSEF-UHFFFAOYSA-N 386.395 2.799 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(O)c1 12974750 YVQJTEHCFSOSAX-INIZCTEOSA-N 378.425 2.632 0 40 GFAB Cc1cc(N2CCN(CC(=O)N(C)Cc3ccccc3C)CC2)nc(C(C)C)n1 13010832 MYUGSSHXMBFQCG-UHFFFAOYSA-N 395.551 2.997 0 40 GFAB O=C(CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)Nc1ccc(N2CCCCCC2)cc1 9157915 WRJIERYQBCMKNR-MOPGFXCFSA-N 399.491 2.789 0 40 GFAB NC(=O)c1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 84603584 ZAFHMUUHHUQKMV-INIZCTEOSA-N 394.500 2.928 0 40 GFAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3[nH]nc4c3CCCC4)no2)cn1 96001896 OADLUZSPQZDNRW-MRXNPFEDSA-N 395.467 2.830 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1/C=C/c1ccccc1 4318579 VSLFZEBFPWQYRR-UFXRLHEYSA-N 386.473 2.866 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 65516011 ZZUVFHRDCSSFKF-GASCZTMLSA-N 381.467 2.802 0 40 GFAB CN(Cc1ccnc(N(C)C)n1)C(=O)CCc1ccc(Br)cc1 95464839 OICPMHLNBLMTKY-UHFFFAOYSA-N 377.286 2.896 0 40 GFAB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 4863251 HWABDGNIOJVAKM-MJGOQNOKSA-N 391.427 2.601 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1cccc2ccccc12 6886351 GIQLWACYRIRSKR-UHFFFAOYSA-N 380.375 2.891 0 40 GFAB COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 61999498 RAWOHIWYAHGABO-REDKUUPNSA-N 377.444 2.966 0 40 GFAB biogenic CC(C)c1cc(NC(=O)C(=O)NC[C@H](C)c2cccs2)n(-c2ncccn2)n1 95461402 XHSXHDMYRYQTEL-ZDUSSCGKSA-N 398.492 2.706 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)NC1CC1 7284953 SPRQXVZOHXASMX-UHFFFAOYSA-N 386.473 2.877 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OC)cc2O)c1C 7396651 OXTASPQPFFMAIT-GFCCVEGCSA-N 389.404 2.951 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)c2c(c1)OCO2 7810984 DNJAXZIRTPYIKN-UHFFFAOYSA-N 385.807 2.968 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 8020620 BHRVQDRJSXCGCN-UHFFFAOYSA-N 391.493 2.562 0 40 GFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(Cl)cc2c1OCOC2 8025305 XYTHECFNSDERRU-NSHDSACASA-N 394.880 2.805 0 40 GFAB C[C@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1ccccc1OC(F)F 16710750 XYWGGYLRBBBCTQ-JTQLQIEISA-N 398.387 2.650 0 40 GFAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 8878694 GHVFAIDHZPDGTD-KOLCDFICSA-N 385.852 2.764 0 40 GFAB O=C(O)c1ccc(N2C(=O)C/C(=C/c3coc4ccccc4c3=O)C2=O)cc1 8990908 GGGQKKUCGRDXMK-LCYFTJDESA-N 375.336 2.838 0 40 GFAB Cc1nc2n(c1CN1CCN(CC(=O)N[C@@H](C)c3ccccc3)CC1)CCCC2 95466673 UVMGOKMXZXSANU-SFHVURJKSA-N 395.551 2.523 0 40 GFAB CC(C)C(=O)Nc1nc(CC(=O)O[C@H](C)C(=O)NCc2cccs2)cs1 95466504 DMVKEANRIDDDPI-LLVKDONJSA-N 395.506 2.590 0 40 GFAB C[C@@]1(CNC(=O)CNC(=O)c2cccc(F)c2)CCCN1Cc1ccccc1 97165436 OWINPGJFYSSUKC-QFIPXVFZSA-N 383.467 2.726 0 40 GFAB CCn1nc(C)c(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)c1C 95957394 IBMUPXBXIXXHQM-UHFFFAOYSA-N 390.491 2.939 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccnc4)C[C@H]32)cs1 306133206 MFCHAOOKZHYQOC-RBUKOAKNSA-N 379.489 2.730 0 40 GFAB CC[C@@H](C)CS(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 502435793 BYPZYAPPYMTWKU-RISCZKNCSA-N 394.415 2.656 0 40 GFAB Cn1cc(CN2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)cn1 306135685 OXVGPEIAVGLFOT-APWZRJJASA-N 385.514 2.904 0 40 GFAB CCCc1c(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)[nH]c(C)c1C(=O)OC 62421450 XEMPEBDRNWTMHF-CQSZACIVSA-N 378.469 2.866 0 40 GFAB COc1ccc(OC)c(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219709107 MSKRXFQDFXYFLL-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)NCCC2=CCCCC2)Oc2ccc(Cl)cc21 38852458 VXALJMWOCTYTJJ-QGZVFWFLSA-N 398.912 2.874 0 40 GFAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)CCn2ccnc2)CC1 72348301 DTYGVVKUPXCJEP-UHFFFAOYSA-N 397.866 2.718 0 40 GFAB Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)CC(C)C)s1)[C@@H](C)C2 41085464 QWGSVTGNOXOUSI-LBPRGKRZSA-N 394.522 2.971 0 40 GFAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220520753 BAQIIULKNQQSNH-GOSISDBHSA-N 378.469 2.995 0 40 GFAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1 44886029 JPEDUGUCJPFTQF-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB Cn1cccc1-c1noc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 225768319 XWUHBMFWRWIMEY-UHFFFAOYSA-N 386.355 2.572 0 40 GFAB Cc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225681271 LGDTUNAUQDZSPN-ZDUSSCGKSA-N 392.502 2.654 0 40 GFAB CCOc1ccccc1C[C@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O 225163600 CYOZXBSDCQVVNE-MRXNPFEDSA-N 381.425 2.686 0 40 GFAB CC(C)n1c(C(=O)N2CC[C@H](N(C)C)C2)nc2c1CCN(Cc1ccccc1)C2 96147137 WSZGDTLVTVEXKN-IBGZPJMESA-N 395.551 2.798 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccccc1C 96520170 FOHWZHMJANCQRF-WDEREUQCSA-N 388.654 2.791 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)CC2(CCCCC2)O1 585091102 YBKXGFZBUVVVKX-KRWDZBQOSA-N 390.528 2.655 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242574883 NHVPZIMWEBWGRF-NLWGTHIKSA-N 391.464 2.582 0 40 GFAB CCc1ccc(C(=O)N2CCN(C(=O)CSc3nc(C)cc(C)n3)CC2)cc1 25899517 KIKNQSMWKOOJIF-UHFFFAOYSA-N 398.532 2.733 0 40 GFAB Cc1ccc(NC(=O)c2ncoc2C(F)(F)F)cc1C(=O)N1CCOCC1 614130655 BADSXQXFNZYFKY-UHFFFAOYSA-N 383.326 2.727 0 40 GFAB Cc1cc(Br)ccc1[C@@H]1CCCN1CCc1cn(CC(=O)O)nn1 629373057 JGUOQMHDXLAUPX-INIZCTEOSA-N 393.285 2.813 0 40 GFAB O=C(Cc1cnn2c1CCCC2)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 630884638 ZHBHMAWTDFZWIV-UHFFFAOYSA-N 390.491 2.953 0 40 GFAB O=C(CCSc1ncnc2[nH]cnc12)N(CCc1ccccc1)[C@H]1CCOC1 635677270 ZHULMJMHVVCUAA-INIZCTEOSA-N 397.504 2.695 0 40 GFAB Cc1cccc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 1194627583 KYASCPZPSRSJFH-UHFFFAOYSA-N 376.453 2.589 0 40 GFAB CN1c2ccccc2N(C2CCN(C(=O)c3ccsc3)CC2)S1(=O)=O 390828622 BMFYPPBAEQBQKF-UHFFFAOYSA-N 377.491 2.554 0 40 GFAB CN1c2ccccc2N(C2CCN(C(=O)CCc3ccccc3)CC2)S1(=O)=O 390829306 DLAFZMZCEXMGIO-UHFFFAOYSA-N 399.516 2.811 0 40 GFAB CC(C)n1nccc1NC(=O)CN1C(=O)COc2cc(Br)ccc21 33245455 SGWRGBYXHQQKLP-UHFFFAOYSA-N 393.241 2.591 0 40 GFAB CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc(Br)cc32)N2CCC[C@H]12 55243790 OROIOIPZEJZPSI-FABXCBLPSA-N 379.254 2.644 0 40 GFAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 96365818 XJOKTFYJRSMNSQ-MRXNPFEDSA-N 385.894 2.577 0 40 GFAB COc1cc2c(cc1OC)CN(c1ncc(Br)c(OC)n1)CC2 176815159 NDJQOUKUPOYFOH-UHFFFAOYSA-N 380.242 2.828 0 40 GFAB Cc1cccc(CC(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1615158271 LGXIGHFDHOTBEQ-UHFFFAOYSA-N 378.472 2.962 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 1615153799 CPYJEKHBNZQOCB-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1OC 15013164 WAWPPOGZYHYSAL-XNTDXEJSSA-N 386.379 2.944 0 40 GFAB Cc1ncncc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19552950 BFXYQVWBTYKACU-ZDUSSCGKSA-N 381.461 2.617 0 40 GFAB Cc1cc(C)n(CCCC(=O)N2C[C@@H](CN3CCOCC3)c3ccccc32)n1 19573965 BZWVJNQLMUHUIV-LJQANCHMSA-N 382.508 2.743 0 40 GFAB COc1ccc(CN(C)Cc2nc([C@@H]3CCCNC3)cc(N(C)C)n2)c(OC)c1 19709992 DQATUMMZTYSZKI-MRXNPFEDSA-N 399.539 2.659 0 40 GFAB CC[C@@H](C)N1CCc2nc3sc(C(=O)N4CCCC4)c(C)c3c(=O)n2CC1 12241842 SYFGERNSYSVESW-CYBMUJFWSA-N 388.537 2.659 0 40 GFAB COc1ccc(OC)c(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1 19576463 NPDZIKLMVRSKJZ-KNQAVFIVSA-N 380.444 2.521 0 40 GFAB C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC 31156764 WGLRJONCGNNMKL-VOTSOKGWSA-N 388.372 2.716 0 40 GFAB biogenic,in-vitro CC(C)(C)c1cn2nc(N3CCN(c4ncnc5c4CCC5)CC3)ccc2n1 1888903791 CRDZTZXIOVUVFH-UHFFFAOYSA-N 377.496 2.632 0 40 GFAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccccc5C)C[C@H]4C3)nn12 1888922097 UFZIQTTVBGHIMV-IYBDPMFKSA-N 391.479 2.595 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC[C@@H](N(C)c2ncccc2C(F)(F)F)C1 1889136113 CZXRGFKHPTVXOY-GFCCVEGCSA-N 397.401 2.584 0 40 GFAB Cc1ccc(Cl)c(S(=O)(=O)NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)c1 1119441078 FVYPDXRSKNCBKL-VIFPVBQESA-N 395.790 2.930 0 40 GFAB COc1ccc(N2C(=O)C(=O)N(CN(C)Cc3ccc(Cl)s3)C2=O)cc1 23841091 XJDMBTRDMGTHPO-UHFFFAOYSA-N 393.852 2.795 0 40 GFAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1ccc(Cl)cc1 4957017 DVIXXRORQNKBTF-TVFCKZIOSA-N 378.815 2.696 0 40 GFAB Cn1ccnc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037844577 XPGKPXHXBUBKNV-RBUKOAKNSA-N 382.508 2.532 0 40 GFAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(C)cc2)cc1 4626172 AGGOHDPKTBLZPA-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822048 FJZXFGDWJOKWRP-UHFFFAOYSA-N 395.507 2.974 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@@H]2O1 2055717947 LQHRVIYYDBVAQS-TYPHKJRUSA-N 397.519 2.937 0 40 GFAB Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(OC(C)C)cc4)CC3)nn12 1775967509 UWIYXGLUKYAYAH-UHFFFAOYSA-N 394.479 2.572 0 40 GFAB CCCS(=O)(=O)N1CCN(Cc2nc(-c3cccc(OC)c3)cs2)CC1 23145042 MNIHKTRJCSYTBJ-UHFFFAOYSA-N 395.550 2.676 0 40 GFAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cccs4)CC3)C2=O)cc1 11694069 CUOHHMXXEKZOOE-UHFFFAOYSA-N 383.473 2.783 0 40 GFAB Cc1ccc(CC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 24045572 PJTUINRSFBOOAG-HXUWFJFHSA-N 385.895 2.562 0 40 GFAB CCCc1nc(C(=O)NC[C@@H](c2ccco2)N(C)C)nn1-c1ccccc1F 152303995 NGSZVDVBOIOMCS-INIZCTEOSA-N 385.443 2.985 0 40 GFAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)[C@@H]1CC(c2cccc(F)c2)=NO1 40088126 XYECZNBTGMNUKX-SFHVURJKSA-N 392.394 2.946 0 40 GFAB CCC[C@H](C)N(C)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 30269681 ZDDNHNGFGQBEBW-LBPRGKRZSA-N 397.541 2.994 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1C[C@H]1CCCO1 30343220 SFAIJRFIOVZYFA-VFNWGFHPSA-N 399.447 2.527 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1nc2ccccc2n1C(F)F 40153443 LTFSYSBZJVNLEN-NSHDSACASA-N 376.363 2.801 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)[C@H]2C=C[C@H]1CC2 102351951 FNLIBPLMOWCQBZ-LNMJFAINSA-N 388.895 2.897 0 40 GFAB COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ncccc2c1=O 32891517 HGVQTMLDHRNVHJ-UHFFFAOYSA-N 398.488 2.786 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCc2c(F)cc(F)cc21 42006972 GBQOLKUVURGQIF-UHFFFAOYSA-N 383.372 2.813 0 40 GFAB Cc1[nH]c2ccc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2c1C 22697349 NYYMKPKMVXGQII-UHFFFAOYSA-N 382.508 2.555 0 40 GFAB O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1nc2ncccn2n1 2808590 WCUQKGZBSCZEMM-UHFFFAOYSA-N 388.218 2.928 0 40 GFAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 42249492 DPANYSFCJJWKHS-OXJNMPFZSA-N 383.467 2.976 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1577794 VSXLHXWSMDZSOB-GOEBONIOSA-N 376.453 2.634 0 40 GFAB COc1ccccc1[C@@H]1CC(c2cccc3nccnc23)=NN1S(C)(=O)=O 79112354 QQCGCQSOPOWFAG-KRWDZBQOSA-N 382.445 2.749 0 40 GFAB COCCn1cc(C(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 79475639 MWLDDWKVSCSXMU-UHFFFAOYSA-N 376.420 2.731 0 40 GFAB CC(C)c1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 1936119 INMFIAHMTUCXIX-UHFFFAOYSA-N 380.400 2.588 0 40 GFAB CN1CCN(c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cn2)CC1 24193281 QOGPMMYZSPFZLZ-UHFFFAOYSA-N 377.492 2.564 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cccc2C)cc1OC 6504490 NFZPPUPTPCLVFF-CQSZACIVSA-N 392.477 2.626 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1 7070735 GYLIWAIGWBDHKC-MRXNPFEDSA-N 390.505 2.767 0 40 GFAB Cc1ccn2cc(C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)nc2c1 55409620 QPIUNDGJHCHNLE-UHFFFAOYSA-N 383.496 2.879 0 40 GFAB Cc1ccc(CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C2CC2)cc1 25293595 LVPYTLVPJIOISD-HXUWFJFHSA-N 376.460 2.606 0 40 GFAB O=C(OCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCC2)c1 1454312 XCNNLYPPDMWOGM-UHFFFAOYSA-N 389.429 2.557 0 40 GFAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 25490028 LWMURAROLXCOGT-IBGZPJMESA-N 383.448 2.556 0 40 GFAB CCOc1ccccc1N1CCN(C[C@H](O)COCc2cccs2)CC1 25515239 VXJJPKRBBMPKFF-KRWDZBQOSA-N 376.522 2.847 0 40 GFAB COCCCNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 56308036 XHGGEJBNQZUXGZ-UHFFFAOYSA-N 375.444 2.845 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 57638355 SSZKVVJVYGKSBW-INIZCTEOSA-N 396.443 2.826 0 40 GFAB COc1ccccc1[C@@H]1N=C(NCc2ccccc2)Nc2nc(C)cc(=O)n21 9287529 RVRFWJHPCWYKKN-LJQANCHMSA-N 375.432 2.679 0 40 GFAB CC(C)Cn1ccc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21 58217422 RKDOCGAPIKTSGM-UHFFFAOYSA-N 377.510 2.907 0 40 GFAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)O[C@H](C)C3)n2)cc1C 28218698 NIVBRLITHDHJOQ-IAGOWNOFSA-N 398.511 2.682 0 40 GFAB COc1ccccc1[C@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@@H]1C(=O)c1ccccc1 22275918 MTWSQTLPVMNEGM-HDMKZQKVSA-N 394.349 2.799 0 40 GFAB Cc1ccc(CN(C)C(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 12761305 NZCCIDJMJGLARF-UHFFFAOYSA-N 395.551 2.997 0 40 GFAB COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1 12750421 NBLYCZDIKQMPOT-UHFFFAOYSA-N 387.772 2.765 0 40 GFAB O=C(CCSc1ccc(F)c(F)c1)NCc1ccc(N2CCOCC2)nc1 10719699 MVEFUNHKHPEUPU-UHFFFAOYSA-N 393.459 2.995 0 40 GFAB COc1ccc(CCn2cnc3c(cnn3-c3ccccc3)c2=O)cc1OC 2346307 VURDXSHMKRHEIW-UHFFFAOYSA-N 376.416 2.842 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 11711899 QBHCSQZTLXSHPQ-UHFFFAOYSA-N 375.475 2.940 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](c2cccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 11859261 BDOPAXJBLZPCLB-VBQJREDUSA-N 398.406 2.789 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@H]1CCS(=O)(=O)C1 61002649 FABLWXWIQWVLEF-AWEZNQCLSA-N 388.320 2.823 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2ccncc2)sc2c1CCCCC2 3508976 FXROXRKJTZIBBS-UHFFFAOYSA-N 388.445 2.994 0 40 GFAB Cc1cnc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)s1 27973616 RRFOJFXWPBBOCB-UHFFFAOYSA-N 395.286 2.982 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)c1C 12997261 HVJGXLRUSHQASO-SFHVURJKSA-N 398.334 2.970 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)C[C@@H](C)O1 13098806 ZOGQMZHQYRDIIT-IYBDPMFKSA-N 381.428 2.710 0 40 GFAB CCCOc1cccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 4301617 MZBBAZXFFPSCSM-INIZCTEOSA-N 377.462 2.898 0 40 GFAB CC(C)Cn1c(O)cc(=O)nc1SCC(=O)NCc1ccccc1Cl 14022490 NDDRRXYPSAOPDZ-UHFFFAOYSA-N 381.885 2.667 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9248728 YTLGITFDBGHOCI-LBPRGKRZSA-N 392.843 2.534 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 5450026 FYWWBOSUMIXSFA-QFIPXVFZSA-N 392.411 2.554 0 40 GFAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NC(=O)NCc1ccccc1 19797011 XQYBRLSNZDXQBS-UHFFFAOYSA-N 392.444 2.624 0 40 GFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccco2)CC1 4749077 OIBRFZAOHHQWCJ-VQHVLOKHSA-N 383.448 2.860 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)c3c(F)cccc3F)C2)Oc2ccccc21 96367570 AMMFJEPRQSHFHM-SFHVURJKSA-N 379.384 2.763 0 40 GFAB C[C@H]1Sc2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2NC1=O 9594525 DXLKFTHOZHLHFS-SECBINFHSA-N 387.442 2.546 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 7780174 AHFWZCNLGGVWBX-INIZCTEOSA-N 381.350 2.985 0 40 GFAB O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1cnn(-c2ccccc2)c1 69040938 JOAKYTGVNJCMQA-KRWDZBQOSA-N 382.489 2.677 0 40 GFAB CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(CN2CCCC2=O)c1 69350458 CKLVMALKFAKQSF-WMLDXEAASA-N 389.521 2.695 0 40 GFAB CCOC(=O)[C@](NC(=O)N(C)C)(Nc1nc2ccccc2s1)C(F)(F)F 8995491 NKIOLFUPJBJTGM-CQSZACIVSA-N 390.387 2.801 0 40 GFAB CN1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)[C@H](c2ccccc2)C1 89382526 SNPUBFXCUFIQIA-FQEVSTJZSA-N 378.476 2.594 0 40 GFAB Cc1cccc(CN2CCC[C@]3(CN(C(=O)C4CC4)CC(F)(F)C3)C2=O)n1 306130623 JLEATNXGPJJHTK-IBGZPJMESA-N 377.435 2.776 0 40 GFAB COc1cccc(NC(=O)CSc2nnc(CCCO)n2-c2ccccc2)c1 20274432 ADGYFJGXDMPKKL-UHFFFAOYSA-N 398.488 2.932 0 40 GFAB Cc1ccc2nc(C(=O)N3CCC(C(=O)Nc4nncs4)CC3)ccc2c1 549517082 IAIBAAJEKZRRSH-UHFFFAOYSA-N 381.461 2.886 0 40 GFAB COC[C@]1(NC(=O)c2ncccc2Br)COc2ccccc2C1 529956947 JDUCHKCMHCWVAI-KRWDZBQOSA-N 377.238 2.594 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2coc(NC(=O)c3ccncc3)n2)cc1 211072522 YBYLBZIPNBQDEO-UHFFFAOYSA-N 380.360 2.751 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccccc2F)c2nccn2C)s1 32842336 NKUFAJBVCHZQOQ-QGZVFWFLSA-N 386.452 2.565 0 40 GFAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218097478 MDNFTNZDUVDPFZ-SLFFLAALSA-N 375.490 2.617 0 40 GFAB C[C@@H](CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 225138879 YXLLAENHPKEGIP-NSHDSACASA-N 382.511 2.605 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC)c2ccc(C)cc2C)s1 223244232 KAYPURZAMASJKS-CYBMUJFWSA-N 382.511 2.933 0 40 GFAB C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCC2 223253044 JLXSWDZAIOSZFV-FOIQADDNSA-N 386.517 2.985 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)n(C)n1 96269024 LZWMYBVBSBHDLZ-OAHLLOKOSA-N 383.370 2.667 0 40 GFAB biogenic,in-vitro O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O)N1CCCC1 96295689 FZTRCZCGGGNMDS-ATVHPVEESA-N 397.456 2.842 0 40 GFAB Cc1ccccc1NC(=O)N1CC[C@@H]2CN(CC(C)C)S(=O)(=O)[C@@H]2CC1 96145599 YEUZWGSGHWJGLL-SJLPKXTDSA-N 379.526 2.909 0 40 GFAB Cc1cccc(N2C[C@@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)CC2=O)c1 96238545 LKIIXKXRZVGLCI-FQEVSTJZSA-N 388.464 2.952 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NCC2(C)Cc3ccccc3C2)CC1=O 537702895 YWTBXPMPPMHNOE-SFHVURJKSA-N 378.472 2.969 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242649243 RYHGUKGEQGOVDM-YQVWRLOYSA-N 393.892 2.788 0 40 GFAB CCN1CCC(C(=O)N2CCC3(CC2)CN(CC(C)C)C[C@@H]3COC)CC1 248248711 RKHXKYPZNSIPTR-HXUWFJFHSA-N 379.589 2.561 0 40 GFAB Cc1nc(-c2cccc(NC(=O)CN3CC[C@@]4(CCCO4)[C@@H](O)C3)c2)cs1 257244389 ILBPBNKZJFONFU-ICSRJNTNSA-N 387.505 2.673 0 40 GFAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3CCCO3)CC2)nn1C 257311667 UKOJRRYWYCQYHE-ZHALLVOQSA-N 376.545 2.783 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)CCc3sccc3C)C2)cc1 96377951 CZIXFXFMKZUDGL-UHFFFAOYSA-N 379.503 2.682 0 40 GFAB Brc1ccccc1Cc1nnn(Cc2nc(-c3ccccn3)no2)n1 678032687 BURCBDJEQRYYEB-UHFFFAOYSA-N 398.224 2.520 0 40 GFAB C[C@@H](NC(=O)c1cccc(-n2ccnc2S(C)(=O)=O)c1)c1ccc(F)cc1 390826563 AMCHGPOQJAJGQI-CYBMUJFWSA-N 387.436 2.906 0 40 GFAB O=C(CNC(=O)C1=NO[C@@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1F 40155163 GLMYJMNXOLQCNK-CQSZACIVSA-N 377.322 2.676 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)c3cccc(NS(C)(=O)=O)c3)c2c1 95396540 NNFZZGVAIHBSSR-UHFFFAOYSA-N 387.461 2.521 0 40 GFAB Cc1csc2nc(COC(=O)c3cncc(Br)c3)cc(=O)n12 11028038 RKEQKBVUTRSZRY-UHFFFAOYSA-N 380.223 2.579 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nn2)n1 13009186 ZNPVICFOGNGWQM-UHFFFAOYSA-N 395.442 2.772 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1 14239769 FZFJWSYKGXGONK-INIZCTEOSA-N 383.448 2.673 0 40 GFAB Cc1cc2nc(COC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc(=O)n2o1 15772164 JROOHBIKCDAURI-UHFFFAOYSA-N 383.404 2.938 0 40 GFAB Cc1nccn1CCC1CCN(C(=O)CCN2Cc3ccccc3C2=O)CC1 19288075 XJWNPQUIJNFVRO-UHFFFAOYSA-N 380.492 2.866 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19499412 XLMPTCJXRPZZNA-ZWKOTPCHSA-N 384.455 2.783 0 40 GFAB COc1cc(C(=O)Nc2cc(-c3cccs3)n[nH]c2=O)cc(OC)c1OC 19549576 OMUSTMZDROXNPT-UHFFFAOYSA-N 387.417 2.777 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CC(C)(C)Oc3ccccc31)C2=O 19715376 FDCATAOZGOLFPN-DRCDNIGYSA-N 399.491 2.906 0 40 GFAB Cn1ccc(C(=O)N2CC(C)(C)Oc3cc(Br)ccc32)cc1=O 622987269 YGHDKLBRTPOXQE-UHFFFAOYSA-N 377.238 2.966 0 40 GFAB C[C@@H]1CCc2c(nc(N)n(CC(=O)Nc3ccc(N4CCCCC4)cc3)c2=O)C1 12222031 XUQFLCWMXQJIFW-OAHLLOKOSA-N 395.507 2.579 0 40 GFAB Cc1cc(-c2cnc(C)nc2CCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)on1 12337731 WZUXHFYLNNPEHF-OAHLLOKOSA-N 391.431 2.533 0 40 GFAB COCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1C 6111531 AVQQIKAFKXAQPL-UHFFFAOYSA-N 385.489 2.894 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 6822669 ACAYQFLOFVHDAX-MRXNPFEDSA-N 397.450 2.536 0 40 GFAB Cc1noc(C)c1CN1C[C@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 1614939498 UMQTYQSVYLAMLY-NRFANRHFSA-N 387.455 2.682 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 1075338 AVLWYMMKPWSPNN-UHFFFAOYSA-N 387.505 2.773 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 4249345 OQRRLHNCBQUXPI-OAHLLOKOSA-N 387.528 2.876 0 40 GFAB CC1=NN(CCC(C)C)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2[C@H]1C 4316673 AXOAGTLGTIKITF-HNNXBMFYSA-N 388.516 2.746 0 40 GFAB O=C(Nc1ncnc2sccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 5299406 MQPCKQDXGRSKSD-UHFFFAOYSA-N 388.474 2.728 0 40 GFAB O=c1c2ncccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccccn1 9001148 MHONOZZHMNZBJO-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3cc(C)nn3C)nc12 12229372 OZGDFBKZRDBVOU-UHFFFAOYSA-N 387.509 2.945 0 40 GFAB O=C(NCc1cncc(C2CC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 575619175 IJYSURBBAIODMB-UHFFFAOYSA-N 385.489 2.674 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(F)c3C)ncn2)n1 35597354 BZUYFRFMOOZMKZ-UHFFFAOYSA-N 383.431 2.960 0 40 GFAB O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccc(OC(F)(F)F)cc1 77184956 ULSOCCGSBLZWBQ-MRXNPFEDSA-N 387.379 2.698 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)n2)cc1 40049415 JBJCQEVWQYSTCX-UHFFFAOYSA-N 399.458 2.962 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1 30599674 YVSXOWIUSKPSPS-PXAZEXFGSA-N 387.461 2.905 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1 31953689 DDUYNEUXCCBBBV-GOSISDBHSA-N 393.443 2.585 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102129074 VYZXDINUGYIPIU-HUUCEWRRSA-N 394.427 2.544 0 40 GFAB Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(C)s1 32771324 CQFDUFOVHHNKMO-UHFFFAOYSA-N 382.482 2.651 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O)Nc1nccs1 102621083 GESMQKMAAZFFAQ-CTTHAOKLSA-N 381.457 2.506 0 40 GFAB Cc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)no2)cc1 32905976 XPQMOSFLZVMAPM-OAQYLSRUSA-N 390.399 2.775 0 40 GFAB CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 41333790 ITLUALPGQBFDMZ-OAHLLOKOSA-N 385.530 2.572 0 40 GFAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2C)c1 1361314 YCOYMCSZFIIYJN-UHFFFAOYSA-N 397.460 2.797 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1C 2642413 SZKRQGYRRJOYIO-INIZCTEOSA-N 397.475 2.670 0 40 GFAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC[C@H]3CCCO3)c2C1 2663986 XLHFRGRHCGOPAD-HUUCEWRRSA-N 382.460 2.812 0 40 GFAB CC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(C)c(-c2ccccc2)s1 3315168 IYYCBQMKULNQTQ-UHFFFAOYSA-N 388.474 2.535 0 40 GFAB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)Nc1ccc2c(c1)OCCO2 5000633 BUZXELCWHKQSCY-UHFFFAOYSA-N 383.404 2.566 0 40 GFAB C[C@H]1CCc2c(sc3nnn(CC(=O)N[C@@H](C)c4ccccc4)c(=O)c23)C1 5009842 RMEKNIYTVIZPIF-STQMWFEESA-N 382.489 2.855 0 40 GFAB Cc1csc2nc(CSc3nnnn3-c3ccc(Cl)cc3)cc(=O)n12 5015208 KMRJIFQKBGDILA-UHFFFAOYSA-N 390.881 2.986 0 40 GFAB CCOc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5201729 FTTMTFCCAWLTNP-HNNXBMFYSA-N 397.431 2.784 0 40 GFAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)c1c[nH]c2ccccc12 5204422 DIISMCZOLPYTQQ-UONOGXRCSA-N 380.400 2.924 0 40 GFAB CCCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2)c(-n2nc(C)cc2C)n1 5254716 QTKOYDPOMLLMPI-UHFFFAOYSA-N 395.463 2.646 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccccc2Cl)n1 5397205 LZBIFNGPQWNSOE-UHFFFAOYSA-N 383.835 2.889 0 40 GFAB COCCn1c(SCC(=O)N2CCCCCC2)nc2ccccc2c1=O 6035204 GMOGBHNEQPADPK-UHFFFAOYSA-N 375.494 2.538 0 40 GFAB COCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 6792233 ZLTLJSDGTUPQMG-QVKFZJNVSA-N 391.471 2.875 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1 7323785 WLFFSMPZIPYKAN-ZDUSSCGKSA-N 390.461 2.802 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)[C@@H]1COc2ccc(Cl)cc2C1 7544299 YWDPJUHYTLLQPZ-NSHDSACASA-N 376.821 2.704 0 40 GFAB CCCCn1nc(C)c(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c1Cl 7955653 WPAWHLXQKNKSGI-VOTSOKGWSA-N 388.903 2.797 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)/C=C/c3cn(Cc4ccccc4)nn3)cc2NC1=O 8017012 BHIMKUBRPNQRCS-QSYFUGGGSA-N 389.415 2.698 0 40 GFAB CCCn1c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n[nH]c1=O 8474881 DJAIJZLRPYXUNA-UHSVVUDUSA-N 378.542 2.795 0 40 GFAB COc1ccc(CCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 8496490 HAHQXHAMULHBLB-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C 8635386 PBAFHYFOZVPNCE-SCTDSRPQSA-N 397.523 2.593 0 40 GFAB biogenic,in-vitro CC(=O)N[C@H](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1cccs1 10403615 VTEGHNNHDYHBDX-GOSISDBHSA-N 399.516 2.736 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(Cn2cccn2)cc1 11238394 ZKMFAQRGSLGKNG-UHFFFAOYSA-N 394.450 2.849 0 40 GFAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc(Cl)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11612321 WLUSHOBOGRNGTN-BLDNINTCSA-N 384.812 2.642 0 40 GFAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccs4)ccn3n2)cc1 12414452 MZKYSDKIIPXYAM-UHFFFAOYSA-N 394.456 2.550 0 40 GFAB CCN(CCCNC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 12526143 APZYLSMIKZDYSS-UHFFFAOYSA-N 375.494 2.705 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12550648 NOGHRKHHGNDELG-AWEZNQCLSA-N 385.445 2.698 0 40 GFAB Cn1c(=O)c2ccccc2n2c(SCCOC(=O)c3ccccc3)nnc12 12632462 LSBXUOIBLGZRJJ-UHFFFAOYSA-N 380.429 2.530 0 40 GFAB CC(C)(C)c1cc(NC(=O)c2cccc(F)c2)n([C@H]2CCS(=O)(=O)C2)n1 12737826 MZTMIYIEYNCOLJ-AWEZNQCLSA-N 379.457 2.932 0 40 GFAB Cc1cc2n(C[C@H](O)COc3ccc(Cl)cc3Cl)c(C)cc(=O)n2n1 12795459 RATIVBPCGMWZBE-ZDUSSCGKSA-N 382.247 2.860 0 40 GFAB O=C(CNc1ccc(F)cc1F)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 12876884 XBVKLMVHXGYSHQ-HNNXBMFYSA-N 380.416 2.597 0 40 GFAB CC(=O)c1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 12902802 VZCQNHCMSQCDPW-UHFFFAOYSA-N 377.400 2.563 0 40 GFAB biogenic COc1ccc(OCCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 12904873 BCMPXPICDRSCBN-UHFFFAOYSA-N 376.497 2.615 0 40 GFAB COCCNc1nnc(SCc2nnc(-c3ccc(OC)cc3)o2)s1 12925498 CGODLWICUYTVDE-UHFFFAOYSA-N 379.467 2.947 0 40 GFAB CC(C)CCNC(=O)C(=Cc1ccc(-n2cncn2)cc1)C(=O)NCCC(C)C 12977178 WRIFXTQNGBSWTQ-UHFFFAOYSA-N 397.523 2.975 0 40 GFAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c1 12985127 UDAHTVLRVSKYAJ-UWJYYQICSA-N 388.464 2.520 0 40 GFAB COC(=O)c1cccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c1 12985166 HGNYHFAPBFHGOB-UHFFFAOYSA-N 388.464 2.611 0 40 GFAB COc1cc(NC(=O)CSc2nnc3ccccn23)c(Cl)cc1C(=O)O 13273212 QSGKYPFLHOLBPI-UHFFFAOYSA-N 392.824 2.820 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1F 13612720 QXRIXXMVYQGTBR-UHFFFAOYSA-N 382.482 2.860 0 40 GFAB CNC(=O)CN(C)c1nc(CN2CCCCC2)nc2sc3c(c12)CCCC3 14241089 ZLXGPUIPFLCWHY-UHFFFAOYSA-N 387.553 2.738 0 40 GFAB Cc1nc(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)nn1-c1ccc(F)cc1 16398339 ZEZIIOMQVFFXBJ-ZDUSSCGKSA-N 388.443 2.957 0 40 GFAB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 16512464 LDXVQLWDGXUFPK-HNNXBMFYSA-N 383.448 2.664 0 40 GFAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 17298368 SWQKVGFXLNXXOX-UHFFFAOYSA-N 392.546 2.898 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@H]([C@@H](NC(C)=O)c3ccccn3)C2)c1 19020258 MMMZGHLYRWCWDK-XMSQKQJNSA-N 381.476 2.749 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 19078807 FSUXKVBEFDDMMY-QAPCUYQASA-N 396.491 2.604 0 40 GFAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)c3ccc(C)cc3)nc2C1 19135381 SXJGBHOQIGSTTM-IBGZPJMESA-N 394.475 2.763 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 19169125 IFSZKNQKDKBRKE-UHFFFAOYSA-N 397.294 2.929 0 40 GFAB CCOc1ccc2nc(NC3=NCN(Cc4ccccn4)CN3)nc(C)c2c1 19330682 VHUIYLSEAQLPCS-UHFFFAOYSA-N 377.452 2.520 0 40 GFAB O=C(O)COCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19367813 BAWMMJAUVBLLEE-UHFFFAOYSA-N 390.430 2.773 0 40 GFAB in-man Cc1cc(C)n(CC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(=O)n1 19572320 QOAQOWXWLLHMKD-UHFFFAOYSA-N 384.411 2.547 0 40 GFAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccc3oc(=O)n(C)c3c1)cn2C 19658524 XMTBEPVAKJBNKJ-CYBMUJFWSA-N 393.443 2.993 0 40 GFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(c4nccs4)CC3)c12 22508664 VLMHDNLTHUHTPV-UHFFFAOYSA-N 384.509 2.819 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)NCCn2c(C)nc3ccccc32)CC1=O 24476999 UQBJEEKCNMPNLG-MRXNPFEDSA-N 392.459 2.523 0 40 GFAB O=C(OC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 25396827 NHDVNXLPMNOKIM-KRWDZBQOSA-N 379.412 2.861 0 40 GFAB O=C(NCCCSc1ccccc1)NCc1ccnc(N2CCOCC2)c1 26382433 QBQDHVCIJGTQFN-UHFFFAOYSA-N 386.521 2.900 0 40 GFAB O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 28050549 WJJTWGRCGPYRIG-UHFFFAOYSA-N 391.537 2.524 0 40 GFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)NC1CC1 28372579 KZLGOVIPAZAVPA-AWEZNQCLSA-N 397.504 2.976 0 40 GFAB CN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 28707769 KBRYBGWOHPSVTF-UHFFFAOYSA-N 376.460 2.791 0 40 GFAB O=C(NCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccccc1 29642670 JBNWGVSZPGHBSE-UHFFFAOYSA-N 383.467 2.680 0 40 GFAB COc1ccccc1OCC(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 32100885 BREBYLRRSAHACG-GOSISDBHSA-N 394.349 2.962 0 40 GFAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCNC(=O)c1ccco1 32908739 HZTJNQZSHMVFLE-UHFFFAOYSA-N 386.433 2.520 0 40 GFAB CCN(c1ccc(NC(=O)CCNS(=O)(=O)c2cccnc2)cc1)C(C)C 32978806 BIUAWZFLMKQHBX-UHFFFAOYSA-N 390.509 2.623 0 40 GFAB Cc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)s1 36700288 GNNVJVTVBJLNIJ-QGZVFWFLSA-N 380.535 2.798 0 40 GFAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(N2CCOCC2)nc1 37133071 BPZFIBAVJWBMDB-UHFFFAOYSA-N 387.308 2.795 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)Nc1nc(-c2ccccn2)cs1 39982788 KQZCNMZFCJVBLB-UHFFFAOYSA-N 380.429 2.959 0 40 GFAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 39995428 WGFUUZPFYUMRSG-LLVKDONJSA-N 376.400 2.679 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 40119970 XBFQHQQQYGCPAO-SFHVURJKSA-N 387.505 2.823 0 40 GFAB CN(C)C(=O)c1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 40120289 JJNFPBDYABARAW-UHFFFAOYSA-N 387.411 2.758 0 40 GFAB Cc1cc(Br)oc1C(=O)Oc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 40156549 CMHYQWDFRBWUDJ-MRXNPFEDSA-N 393.193 2.624 0 40 GFAB O=C1C[C@@]2(CC(c3ccc4c(c3)OCCO4)=NO2)C(=O)N1c1cccc(Cl)c1 40286660 ISIQVRSSBJRMAL-FQEVSTJZSA-N 398.802 2.938 0 40 GFAB CC(C)c1noc(CCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 46670442 QKDMHTWSZZSTHZ-UHFFFAOYSA-N 383.452 2.632 0 40 GFAB COc1cc(OC)c(N2C[C@@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1Cl 48231330 ZQPPUFWITRUTKE-STQMWFEESA-N 380.872 2.969 0 40 GFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CCCN1C(=O)c1ccccc1O 52567159 JFEYUICYNRRFHB-QGZVFWFLSA-N 395.415 2.592 0 40 GFAB Cc1nc(C2(NC(=O)c3ccc(-n4c(C)c[nH]c4=O)cc3)CCCCC2)no1 57258747 PVOVTRVUOVRWEM-UHFFFAOYSA-N 381.436 2.755 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccccc1Cl 67287293 KRAWFHPFTAMVOR-KRWDZBQOSA-N 377.872 2.997 0 40 GFAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1 71327260 NZONKULCBCIJTP-UHFFFAOYSA-N 399.401 2.742 0 40 GFAB COC(=O)CCN(C(=O)/C=C/c1ccccc1OC(F)F)C1CCOCC1 72303827 AVHXFWNBUFIHDC-VOTSOKGWSA-N 383.391 2.872 0 40 GFAB C[C@H](NC(=O)CN1CCC[C@@H]1CN1CCC[C@@H]1CO)c1ccc2c(c1)CCCC2 72313484 SNUYKGVHEPXUIG-CDNPAEQRSA-N 399.579 2.664 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 89919965 MMZZAWJPDYPWKS-RBZFPXEDSA-N 380.400 2.897 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(=O)O)cc1)n2CC(C)C 95951444 NFEKKOSSYGICMX-UHFFFAOYSA-N 384.436 2.708 0 40 GFAB O=C1C[C@@H](c2ccc[nH]c2=O)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96118027 DTNIVPNKBVTAPK-AWEZNQCLSA-N 375.363 2.722 0 40 GFAB O=S(=O)(c1cccc2ccccc12)N1CCN(CCc2ccccn2)CC1 96346612 REHFHKSSQGYXQL-UHFFFAOYSA-N 381.501 2.784 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccccc1F 96520154 INGYHKOWESSLIW-VHSXEESVSA-N 392.617 2.621 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)N(C)CCC(C)C)(c2ccccc2)CC1 97175557 HRBXCLUWTXJRMP-UHFFFAOYSA-N 380.554 2.874 0 40 GFAB COc1ccccc1CN1CCc2c(nc3cc(-c4cc(C)on4)nn3c2O)C1 100182349 JBWUEDMRPOYYEL-UHFFFAOYSA-N 391.431 2.965 0 40 GFAB COC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218121258 JIDSSZFALXRQKC-QYZOEREBSA-N 395.908 2.880 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c(OC)c1 220295815 SHIDXQVEWZRZLA-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB S=C(NCCN1CCOCC1)Nc1ccc(N2CCCc3ccccc32)nc1 223893911 BJMYPOBZSXRWLG-UHFFFAOYSA-N 397.548 2.785 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 224109401 SKIDJXYSTGOEAW-UONOGXRCSA-N 394.468 2.866 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1ccc(F)cc1 224147333 UZCKFGCOXNVSPS-UHFFFAOYSA-N 394.468 2.567 0 40 GFAB COc1ccc(CCNC(=O)NCCc2c(C)nn(-c3ccccn3)c2C)cc1 225583177 GUFBCXAPTPFGQT-UHFFFAOYSA-N 393.491 2.977 0 40 GFAB O=C(O)c1cnn(-c2cccc(NC(=O)[C@@H]3CCCOC3)c2)c1C(F)(F)F 237959399 DLWOLRLCJBCVEY-SNVBAGLBSA-N 383.326 2.954 0 40 GFAB COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccco2)c(OC)c1 245230281 OOWFXNSFZDCAJZ-LHHVKLHASA-N 396.443 2.990 0 40 GFAB Cc1nc(COCC[C@H]2CCOC23CN(C(=O)c2ocnc2C)C3)cs1 247997282 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COCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 6607137 MYMPQTJLSHTGDY-UHFFFAOYSA-N 396.553 2.698 0 40 GFAB Cc1ccc(Cn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 6628425 PNQIALSDIARAAW-UHFFFAOYSA-N 399.454 2.710 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc(-c2ccc(Cl)cc2)no1 6972595 IHPOCTAHWHFYSF-UHFFFAOYSA-N 396.790 2.912 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2nc(-c3cccs3)no2)CC1 12507430 LXBNXMSGURUZFL-UHFFFAOYSA-N 394.460 2.632 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 24726495 FMKFEFOTFKQOQB-NVXWUHKLSA-N 375.469 2.634 0 40 GFAB CCn1nc(C(=O)Nc2ccc(OC)c(OCCOC)c2)c2ccccc2c1=O 24937241 CGQOINPOHVDSLL-UHFFFAOYSA-N 397.431 2.703 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 8412193 MEKMSXVANYKQCD-OAHLLOKOSA-N 384.432 2.835 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 8847824 OSWDTTTUGUCTPN-GOSISDBHSA-N 380.444 2.834 0 40 GFAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc[nH]c1=O 55453258 MNWPCANIVDMKGY-UHFFFAOYSA-N 380.366 2.872 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(OC)cc1 12523258 YUBKKZBEJMSWMX-UHFFFAOYSA-N 391.493 2.559 0 40 GFAB COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1cccs1 25080115 VZXMLOPVZPMRII-ZBFHGGJFSA-N 386.473 2.830 0 40 GFAB CCCc1cc2c(cc1NC(=O)CCN1C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C1=O)OCO2 100774858 SGTIHBHERQMZMX-FEBSWUBLSA-N 398.459 2.728 0 40 GFAB NC(=O)c1nn(-c2ccc(F)cc2)s/c1=N\C(=O)c1cccc(Cl)c1 1409938 PEKDOZXXJHUPPF-SILNSSARSA-N 376.800 2.566 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(NCCn3c(=O)oc4ccccc43)cc2)C[C@H](C)O1 55895082 CAORCVMDUJAUGP-HOTGVXAUSA-N 395.459 2.956 0 40 GFAB CCOC(=O)CN1CCC[C@H](OC(=O)[C@H](C)Oc2ccc(SC)cc2)C1 107067776 MVQFRZHPBMEPSX-HOCLYGCPSA-N 381.494 2.747 0 40 GFAB C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)N1CCCc2ccccc21 25696662 VKWPBUNMDMIPMG-LJQANCHMSA-N 393.531 2.976 0 40 GFAB CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)[C@H]1CCS(=O)(=O)C1 58393583 GBVWDKHVRVECPM-ZDUSSCGKSA-N 377.487 2.957 0 40 GFAB C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl 26281153 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CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cccc(Cl)c2)CC1 31802980 KAIHWFSNFRTVJZ-UHFFFAOYSA-N 395.887 2.587 0 40 GFAB O=C(c1ccoc1)N1CCO[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306129022 HRTGFWALCQWCEU-GOSISDBHSA-N 375.388 2.598 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38833201 LPMAPOZPJDLCKA-INIZCTEOSA-N 380.853 2.814 0 40 GFAB C[C@H](C(=O)NCCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409382854 WOWINPKPVVIBFG-CQSZACIVSA-N 380.897 2.853 0 40 GFAB COCCn1nc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1=O 30057670 POGJLSQAZOVUOK-UHFFFAOYSA-N 375.734 2.814 0 40 GFAB COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(Oc3cccc(C)c3)cn1)CC2 562656345 HODSLSLMBIJBLK-OAHLLOKOSA-N 393.447 2.665 0 40 GFAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 72227679 JVUFMAVHLVFNIB-HOTGVXAUSA-N 375.222 2.636 0 40 GFAB Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H](NCc1ccncc1)C2 14541810 CXYLGAALRJCUQW-KRWDZBQOSA-N 393.466 2.531 0 40 GFAB O=C(NCc1ccc(Cl)cc1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225637606 NBYZIKZPBFHLHT-MRXNPFEDSA-N 387.823 2.859 0 40 GFAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)c(F)c1)CC3 48988420 SDSNCNGSJYQIEK-UHFFFAOYSA-N 395.434 2.981 0 40 GFAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCCSc2nc(C)n[nH]2)n1 225916128 JLZNKTNATFBGOE-UHFFFAOYSA-N 383.481 2.786 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCN(C)c2ccccc2)ccc1C 225069620 NZNASSRAUCIYAU-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(OC)c1 220466395 HOAFGYVYLZCXLF-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](CC)c2ccccc2)ccc1OC 44883497 NCVRBYVIEDDUGZ-KRWDZBQOSA-N 376.478 2.875 0 40 GFAB COc1ccccc1C1=NO[C@](C)(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 222283896 GBQWSWCKMRPAKU-KNQAVFIVSA-N 381.476 2.997 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1ccccc1 222849105 IGSWLDBACHDJJZ-UHFFFAOYSA-N 397.500 2.769 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1 49404130 RYAOHYOYBAISAS-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)sc1C 327431066 OOQXEDZJPPCSRL-UHFFFAOYSA-N 382.463 2.566 0 40 GFAB C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222838014 UDKWLODBXBSRJT-MRXNPFEDSA-N 388.895 2.798 0 40 GFAB COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(NC(C)=O)cc1)COC3 96112636 CXIZPDYXXZIMLM-KRWDZBQOSA-N 380.448 2.864 0 40 GFAB biogenic,in-vitro COc1ccc(CN2CCn3cc(CN(C)Cc4cccnc4)nc3C2)cc1 96059548 PPQNHODTAIFQEA-UHFFFAOYSA-N 377.492 2.935 0 40 GFAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCCO)cc34)co2)c1 96037839 CGSYUGFENMQELA-UHFFFAOYSA-N 379.372 2.881 0 40 GFAB CN(C)[C@@H]1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)C1 96146342 JXMOGPUZIUQZFT-OAHLLOKOSA-N 388.475 2.688 0 40 GFAB CC(C)N1CCN(C(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)CC1 96037661 ONJGVSXOIKVTSA-UHFFFAOYSA-N 396.539 2.587 0 40 GFAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 98181755 AUTCQXVTOIJYOT-KNKMXPQBSA-N 399.488 2.557 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260084 SHTIMIZNSZEWTB-UHFFFAOYSA-N 399.472 2.958 0 40 GFAB Cn1ncc2c1CCCN(C(=O)NC[C@H]1CCCN(Cc3cccs3)C1)C2 583981286 OMVRLQAZRWYNFX-MRXNPFEDSA-N 387.553 2.852 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230742 XWKQYSFFCKQMDI-WYADAEROSA-N 396.418 2.516 0 40 GFAB COC(=O)c1ccc(CNC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)cc1 618783115 RBELFEJSSFTDBA-UHFFFAOYSA-N 382.420 2.633 0 40 GFAB O=C1NCCN(C(=O)CCc2nc(O)c3ccccc3n2)[C@H]1CC1CCCCC1 643328543 UHGCVALUAXDXSG-SFHVURJKSA-N 396.491 2.565 0 40 GFAB NC(=O)c1cc2cc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc2[nH]1 1673637953 AINCNQXYOYGVRG-KRWDZBQOSA-N 377.448 2.663 0 40 GFAB O=C1[C@@H](O)CCCCN1Cc1nc(-c2ccc(Oc3ccccc3)cn2)no1 650639638 XRVQPYLMPAKCAB-KRWDZBQOSA-N 380.404 2.797 0 40 GFAB Cn1cc(N2CCC[C@H](NC(=O)N[C@@H](Cc3ccccc3)c3ncco3)C2)cn1 654462461 XMIHSCIBDQOZBI-HKUYNNGSSA-N 394.479 2.660 0 40 GFAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)cc21 585123609 JSRGCBOXQDDPLJ-FDQGKXFDSA-N 387.480 2.835 0 40 GFAB COc1ccc(C(=O)N2CCC(NC(=O)N[C@@]34CCC[C@H]3C4)CC2)cc1OC 664166003 NFOUCSGVXWCNOA-YCRPNKLZSA-N 387.480 2.550 0 40 GFAB CCOc1ccc(NC(=O)NCC2(N3CCOCC3)CCSCC2)cc1 1776009258 WVOFSIYBMYWSDN-UHFFFAOYSA-N 379.526 2.805 0 40 GFAB C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55242448 RNPQHZFZUKWTQP-KSSFIOAISA-N 380.510 2.835 0 40 GFAB CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C(=O)c1cccc2c1OCO2 79022907 XRYCRNBAPBJQGU-NSHDSACASA-N 382.372 2.579 0 40 GFAB COc1ccc2nc(CN3CCN(c4cc(C(F)(F)F)ccn4)CC3)[nH]c2n1 548914291 CTYVQKLVHAUJLD-UHFFFAOYSA-N 392.385 2.703 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 5549439 JJZCVXYGLUQVBJ-KRWDZBQOSA-N 396.443 2.616 0 40 GFAB COCCN(C(=O)c1cc(C2CC2)on1)c1nc2c(s1)CCc1c-2cnn1C 12146094 QONAFSMETJKALJ-UHFFFAOYSA-N 399.476 2.801 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 15739872 CAAXWCQPNNXYSR-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)NCc3ccc4c(c3)OCO4)CCC2=O)c1 17320601 MQXBASZLISGDNQ-UHFFFAOYSA-N 379.416 2.831 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 19237027 UVNKWBCKIUPKEV-FOUBCARRSA-N 396.418 2.516 0 40 GFAB C[C@@H]1CCc2nc(NC(=O)CN3CCC(Oc4cnccn4)CC3)sc2C1 19658801 FTEYKMIDDPDFBZ-CYBMUJFWSA-N 387.509 2.540 0 40 GFAB COCC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693092 JGHGVBVIJPBEBW-CQSZACIVSA-N 381.354 2.709 0 40 GFAB Cn1cnc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 169267740 SLWOFHRSEVVUHM-HXUWFJFHSA-N 391.427 2.955 0 40 GFAB CCc1nn(C)c(NC(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)c1C 19521071 FVFZVMPTHQIMOD-UHFFFAOYSA-N 396.491 2.981 0 40 GFAB Fc1cnc(OC[C@]23CCC[C@H]2CN(c2ncc(Br)cn2)C3)nc1 1888852981 FULUQENYWXXFMX-MEDUHNTESA-N 394.248 2.854 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1 16477191 ASAFXFFUAUVZCO-UHFFFAOYSA-N 382.825 2.571 0 40 GFAB Cc1nc2ccccc2nc1N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 1146165038 ASICWJIDMRTZRN-CALCHBBNSA-N 394.500 2.695 0 40 GFAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4ncnc5n[nH]cc45)C3)ccc2n1 2087065704 XLVMKNUXGWEQBI-ZDUSSCGKSA-N 392.467 2.598 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1C 5075746 OVLNFKJCUCGCKN-UHFFFAOYSA-N 394.518 2.953 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1 17248299 GEKOSKNFVKFMCS-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB Cn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cccc(F)c21 100893958 HWZQELHXXYNCDJ-VZCXRCSSSA-N 383.404 2.773 0 40 GFAB Cc1cc(C)cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCO)c1 206597994 CRHVOFRWPCKYHT-UHFFFAOYSA-N 389.502 2.798 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)c1 42380829 HSRXTJVTFBDISR-UHFFFAOYSA-N 398.532 2.697 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)NCc1cccnc1OCC(F)(F)F 32825792 HANAVQZMMHXOFR-UHFFFAOYSA-N 378.347 2.781 0 40 GFAB CC(=O)Nc1ccc(CNC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1 22511647 UEBGCXWWMQAPJG-UHFFFAOYSA-N 382.464 2.783 0 40 GFAB COC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCCCC3 2212177 VRKOHLPUIIAMCC-UHFFFAOYSA-N 398.484 2.715 0 40 GFAB Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccco1 2398527 YAHXOPHEUFQYCJ-UHFFFAOYSA-N 394.254 2.745 0 40 GFAB CCc1nnc(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)s1 2660109 XMZVOZGKNMLJHU-LBPRGKRZSA-N 394.522 2.599 0 40 GFAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 2664486 IPDAXUUCSMNSLP-QMMMGPOBSA-N 380.313 2.596 0 40 GFAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1C(N)=O 2739740 LRKPYDZVBOBEDJ-QWRGUYRKSA-N 396.465 2.550 0 40 GFAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Cl)cnn1C)CC[C@@H](C)C3 2778276 SENRJOHJJNVBOM-MRVPVSSYSA-N 391.884 2.662 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 3251818 JHIKGTDYHKQIKT-HNNXBMFYSA-N 388.445 2.543 0 40 GFAB O=C(COC(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 3313939 DLOPYLMCFPANCM-UHFFFAOYSA-N 392.205 2.651 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 3389004 JBDSEMIUBDHKQJ-UHFFFAOYSA-N 376.331 2.746 0 40 GFAB CCn1c(SCn2nnc3ccccc3c2=O)nc2sc(C)c(C)c2c1=O 3437081 RSRSFZOGQMSKKH-UHFFFAOYSA-N 399.501 2.949 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 3521535 DUQAMVYOTALKHW-QWHCGFSZSA-N 383.448 2.751 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 3593746 MAEFFLGXFXVFRS-OAQYLSRUSA-N 399.878 2.856 0 40 GFAB CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc(F)c1 4036024 XSYOZNUYWURFOD-SFHVURJKSA-N 375.425 2.895 0 40 GFAB CC(=O)N[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 4219997 PBMNEPLMOAXBRU-GUYCJALGSA-N 398.415 2.553 0 40 GFAB O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)NC[C@@H]1CCCO1 4251312 FTNNKJOPJAVGDE-KRWDZBQOSA-N 395.488 2.717 0 40 GFAB O=C(NCCc1nnc2ccc(SCc3ccccn3)nn12)c1ccccc1 4272445 GLVHPBCEHYHDHN-UHFFFAOYSA-N 390.472 2.784 0 40 GFAB CCOC(=O)CSc1nc2ccccc2n1CC(=O)N1CCC(C)CC1 4859196 HQIWEGXCJZZPMF-UHFFFAOYSA-N 375.494 2.950 0 40 GFAB Cc1nnc2sc(-c3cccc(NC(=O)[C@@H]4COc5ccccc5O4)c3)nn12 5032614 APHIHEPAIDXZBC-INIZCTEOSA-N 393.428 2.940 0 40 GFAB CNC(=O)c1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc(C)c1C 5144951 IPZCTBSCDIYDKP-UHFFFAOYSA-N 385.445 2.630 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 5189023 DOGDMYLKIGBYDN-UHFFFAOYSA-N 381.837 2.929 0 40 GFAB c1ccc(CNc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)cc1 5255869 SZUISRBWXKXLFJ-UHFFFAOYSA-N 376.464 2.932 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1 5268583 SWIQXXWZZARQCS-UHFFFAOYSA-N 376.460 2.663 0 40 GFAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1cnccn1 5469574 ASVNZYMYCOAXTE-UHFFFAOYSA-N 391.449 2.709 0 40 GFAB CC(C)OCCCn1c(S[C@H](C)C(=O)NC2CC2)nc2ccccc2c1=O 5568622 MVJVJXJRTLPYOL-CQSZACIVSA-N 389.521 2.971 0 40 GFAB C[C@@H]1CCc2nc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)sc2C1 6850125 ASYPCCVAYPQUMD-MPBGBICISA-N 398.488 2.674 0 40 GFAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1 7218295 GSVNAINJVRNSRY-GOSISDBHSA-N 386.473 2.725 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2Cl)cn1 7871545 ADVVBXGYZSLWEN-UHFFFAOYSA-N 382.247 2.622 0 40 GFAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1 7876033 BYIQNAXFNHLSKC-MRXNPFEDSA-N 389.496 2.842 0 40 GFAB CCOc1cc(C(=O)NCc2ccccn2)ccc1OCC(=O)N1CCCCC1 7986820 QPWFZBONNZUKGO-UHFFFAOYSA-N 397.475 2.802 0 40 GFAB Cc1ccccc1CN(C)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 8250192 ZLBIXGLOYBREDV-UHFFFAOYSA-N 379.460 2.510 0 40 GFAB CCCNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(OC)c(OC)c1 8987543 KAIUDGKFIIFYRJ-UHFFFAOYSA-N 382.416 2.640 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)N1CCc2[nH]c3ccccc3c2C1 9900300 GIJSXWABUFFTPJ-UHFFFAOYSA-N 377.444 2.881 0 40 GFAB COc1cc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)ccc1N1CCCC1=O 11445918 SWKXTIWBFHHBRE-UHFFFAOYSA-N 395.459 2.807 0 40 GFAB O=C(COc1ccc(CN2CCN(C3CCCCC3)C(=O)C2)cc1)N1CCCC1 12188351 USSKXBSZMNMNKI-UHFFFAOYSA-N 399.535 2.665 0 40 GFAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(C)c2)n(C)c1=O 12374069 WGOCQPFDVYAVPL-HNNXBMFYSA-N 381.480 2.793 0 40 GFAB CON(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 12630602 QSPGOJQYQRZNOS-UHFFFAOYSA-N 399.266 2.883 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O 12873576 NRCDJONXNMGCBO-MRXNPFEDSA-N 387.436 2.726 0 40 GFAB CCOC(=O)CC[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)OCC 12874681 AZSVYWIZFPLDDO-HNNXBMFYSA-N 399.871 2.889 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)s1 12924095 BYLMJPHAXZQPJV-QGZVFWFLSA-N 392.546 2.816 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Nc1ccccc1F 12935290 UADGDKWSHPXYJP-CQSZACIVSA-N 394.472 2.663 0 40 GFAB COc1ccccc1NC(=O)Cc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 13150480 LGSGMPMTGPGJFF-OKILXGFUSA-N 375.494 2.942 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)CCc2cccc(OC)c2OC)cc1 13189646 UJCMRRSOFXHSIT-KRWDZBQOSA-N 387.432 2.977 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)C[C@H](C)O1 14169923 GUENCKKRPLHWKH-KBPBESRZSA-N 392.452 2.876 0 40 GFAB O=C(Nc1ccccc1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 14198208 QZMBVRKPRIGXGX-UHFFFAOYSA-N 392.459 2.803 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)c2ccccc2O1 14198745 OMOWHWLPIMBMKL-INIZCTEOSA-N 395.242 2.912 0 40 GFAB CC(C)[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 14241518 NFTKCIMEUKRIRJ-IBGZPJMESA-N 389.473 2.988 0 40 GFAB CCOc1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 14249214 BGXCZVBLKWKQFG-ZDUSSCGKSA-N 386.473 2.785 0 40 GFAB Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)C(C)(C)C)CC3)ccc1F 15780657 RUBFDNWMRJOUGA-UHFFFAOYSA-N 398.500 2.520 0 40 GFAB COc1cccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 15843226 OCRIXJFDIDJDIL-UHFFFAOYSA-N 388.445 2.650 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nc1-c1cccs1 17636451 LLUOACGNLJXWKT-CYBMUJFWSA-N 387.486 2.518 0 40 GFAB O=C(COc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 18107894 JLWNASYLEKJIAH-UHFFFAOYSA-N 388.489 2.556 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210528 WMTBKKBQNKWDRP-VDNWNZSNSA-N 396.418 2.516 0 40 GFAB COc1cc(CCC(=O)N2CCC(c3noc(-c4ccc(C)nc4)n3)CC2)on1 19215046 WXZSBXPNNRKAAE-UHFFFAOYSA-N 397.435 2.775 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nnc(-c2ccccn2)o1 19403403 XKMQCXZNHSKEOL-HNNXBMFYSA-N 392.387 2.936 0 40 GFAB C[C@@H]1Cc2cc([C@@H](O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 19498023 LRUZEEAIBABYPH-UZLBHIALSA-N 396.487 2.590 0 40 GFAB CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 19583228 HLNUJZRIGIXBIY-KRWDZBQOSA-N 395.482 2.691 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cn(C)c2ccccc12)N(C)C 21698212 QYIWEUJLRMNHAK-IBGZPJMESA-N 394.475 2.545 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)Nc1cccc(Cl)c1N1CCOCC1 22312164 QNDGXBXIDVIBDE-UHFFFAOYSA-N 398.850 2.525 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]32)c1 22770029 YFCBCBBFPDTAFR-RTBURBONSA-N 391.431 2.544 0 40 GFAB COc1cccc(CNC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)c1 23248863 QZVCGHUOFYLDRJ-HXUWFJFHSA-N 386.492 2.876 0 40 GFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1Cc1ccccc1 25359700 YCXULDUFNPMAJQ-LJQANCHMSA-N 395.503 2.611 0 40 GFAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 28037783 XJAQJPNEQJVNBY-UHFFFAOYSA-N 384.461 2.510 0 40 GFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 28207288 WBLZXSRTMIWFBD-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1F 30332466 YZNUNRPDKIBRIP-UHFFFAOYSA-N 378.469 2.962 0 40 GFAB CCc1ccc([C@@H](CNC(=O)Cn2cnc3c(C)cccc3c2=O)N(C)C)cc1 32217003 OJSLYNRETHDBOP-HXUWFJFHSA-N 392.503 2.686 0 40 GFAB C[C@@H](NC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1)c1ccc2c(c1)OCO2 32795347 FJSPDLUFHMBMQI-SNVBAGLBSA-N 386.433 2.616 0 40 GFAB O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)C1CCCC1 35590556 WDAQSADMQSROFF-UHFFFAOYSA-N 382.443 2.884 0 40 GFAB O=C(CSc1ccc(C(F)(F)F)cn1)NC1CCN(c2ncccn2)CC1 40134383 MUQAARRIKDTZRR-UHFFFAOYSA-N 397.426 2.768 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(Cc2ccccc2)no1 40153517 IDFULLDJPXRFMM-AWEZNQCLSA-N 386.477 2.501 0 40 GFAB COc1cc(C)ccc1Oc1ccc(NC(=O)CCC(=O)N2CCOCC2)cn1 42073078 CSMNFARALVWRTB-UHFFFAOYSA-N 399.447 2.768 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)Nc3cccnc3N3CCCC3)CC2)no1 48172449 UEHLHHLMKIWXJF-UHFFFAOYSA-N 398.467 2.861 0 40 GFAB CCN(CC(=O)N(C)C)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 48276612 PNTZXIGWXMYHDD-UHFFFAOYSA-N 384.436 2.958 0 40 GFAB Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)nc1 53279842 GEKBAFXDHMODTK-UHFFFAOYSA-N 379.507 2.807 0 40 GFAB COC(=O)CNC(=O)c1ccc(NCc2cc(Cl)cc3c2OCOC3)cc1 57621085 IGJHGTZVWALQPI-UHFFFAOYSA-N 390.823 2.721 0 40 GFAB COc1cc(C(=O)NC(C)(C)c2ccccc2)cc(Cl)c1OCC(N)=O 58015645 XWALGQWKJSLJFT-UHFFFAOYSA-N 376.840 2.878 0 40 GFAB CCOC(=O)CCN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1CC1 58088804 BFDSDJWSMHMEPM-UHFFFAOYSA-N 380.828 2.582 0 40 GFAB C[C@H]1CCCN(CCCCNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 58172235 DSLIGNWGZJBRKI-HNNXBMFYSA-N 379.936 2.972 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccnc(-n2cccn2)c1 59303100 QFKZZDSJXRTLLH-KRWDZBQOSA-N 393.447 2.639 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCc5ccccc54)ncn3n2)cc1 67208920 NXMJQVXTURKXLV-UHFFFAOYSA-N 399.454 2.710 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1 67240114 NEKKVYOPWMHBRP-UHFFFAOYSA-N 385.811 2.601 0 40 GFAB Cc1ccn2ncc(C(=O)N3CCCN(CCCc4ccccc4)CC3)c2n1 68770555 LJEWJKAOLQVDTH-UHFFFAOYSA-N 377.492 2.818 0 40 GFAB COc1ccc(C2(C(=O)N3CCC(n4c(=O)oc5cccnc54)CC3)CC2)cc1 72343125 BSMGMPBDZXEPDK-UHFFFAOYSA-N 393.443 2.893 0 40 GFAB Cc1cc2c(cc1CN1CCC[C@@H](c3ncccc3S(C)(=O)=O)C1)OCO2 72394272 NUSAQDLBVJXWGH-OAHLLOKOSA-N 388.489 2.902 0 40 GFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1c(F)cccc1F)C2 90609718 WQVMRWAQOKBFQT-NSHDSACASA-N 393.459 2.857 0 40 GFAB O=S(=O)(NC[C@]1(O)CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 90611554 RGHPQUUSVWOSHH-KRWDZBQOSA-N 385.407 2.904 0 40 GFAB O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Cn2ccnc2)o1 95956502 VDTHFLBATPQCMI-UHFFFAOYSA-N 396.422 2.698 0 40 GFAB Cc1ccc(CN2CCOC[C@]3(C2)CN(c2ccc(C)s2)C(=O)CO3)o1 96051463 OTYCLOQBBGWQPB-IBGZPJMESA-N 376.478 2.592 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1cccc(C(F)(F)F)c1 96121124 HVPUOYHWBBIREG-UHFFFAOYSA-N 381.358 2.654 0 40 GFAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNS(=O)(=O)c2cccs2)C3)cc1 96269267 PWVXTTPCNUFGLJ-HNNXBMFYSA-N 389.502 2.797 0 40 GFAB biogenic,in-vitro O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc(Br)cc1 96345575 UZCNSZTVYDRDNC-UHFFFAOYSA-N 376.254 2.913 0 40 GFAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H](C)c1ccc(Br)s1 97009831 WPQOEPGEFYKFLO-LPEHRKFASA-N 382.345 2.894 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 100611415 FZBAMBKNOAPLID-STQMWFEESA-N 377.238 2.647 0 40 GFAB COc1ccc(C(=O)[C@@H](O)[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1OC 100919786 ZTYFVEASKFFIJK-IRLDBZIGSA-N 385.460 2.629 0 40 GFAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccncc1 113937775 URFORQDYGGZLGN-UHFFFAOYSA-N 395.484 2.978 0 40 GFAB CC(C)Oc1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223469258 BKLURRHAWVQWOO-UHFFFAOYSA-N 384.483 2.721 0 40 GFAB CCOc1ccccc1N(CC(=O)Nc1cccc(COC)c1)S(C)(=O)=O 223651173 LIQBOTRNQXEPCW-UHFFFAOYSA-N 392.477 2.636 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccn2)cc1 224982090 TZTKKCBIUXQGPW-UYRXBGFRSA-N 377.400 2.771 0 40 GFAB CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225094727 XFJRBIWCBPBAMF-UHFFFAOYSA-N 381.425 2.901 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(c2cccnc2)CC1 225656100 NPHBLJCGTGZOJS-UHFFFAOYSA-N 389.521 2.902 0 40 GFAB CCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccccc1 226053712 LZYGSDLQPJMROQ-UHFFFAOYSA-N 375.475 2.946 0 40 GFAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)COC2CCCC2)C3)n1 247851618 AQCZMQXXFGQIDC-GOSISDBHSA-N 376.522 2.952 0 40 GFAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2NC1=O 252508888 XWYDDIMTXQYWJM-QGZVFWFLSA-N 378.450 2.990 0 40 GFAB COCC(=O)N1CCC(Cc2nc(C)cc(-c3cccc(C(=O)O)c3)n2)CC1 257265759 MADUDINHDRRMIX-UHFFFAOYSA-N 383.448 2.578 0 40 GFAB Cc1ccc(C(=O)N2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)s1 306132635 LOBOMBBAXCJXQP-OAQYLSRUSA-N 392.484 2.863 0 40 GFAB COC[C@@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 408622826 VZMXBUFUSVALJY-OAHLLOKOSA-N 376.478 2.585 0 40 GFAB COC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408630273 QWUXRAXUCOFXGX-KRWDZBQOSA-N 390.505 2.650 0 40 GFAB C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cn(C(C)(C)C)nn1 483340572 LAUAWKVTTRNJCP-HNNXBMFYSA-N 391.541 2.766 0 40 GFAB COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)cc1OC 575611608 DOAZHAMRSQJIKK-CSPWOOARSA-N 389.839 2.840 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCc3cn(-c4ccsc4)nn3)CC2=O)cc1C 575618775 ORHAXJJQWFBWBJ-HNNXBMFYSA-N 395.488 2.615 0 40 GFAB CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)COc1ccccc1 585262549 RRRFYJGXOQJPCX-FQEVSTJZSA-N 398.503 2.560 0 40 GFAB O=C(c1cccc2[nH]ccc12)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 585501251 CQPGIJZBZLZDNW-UHFFFAOYSA-N 376.460 2.766 0 40 GFAB CCc1nc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)nn1-c1ccccc1 634089143 CJORUSPASFCDBS-UHFFFAOYSA-N 379.468 2.545 0 40 GFAB CN1C(=O)[C@@H](NC(=O)NCCc2cccc(C(F)(F)F)n2)Cc2ccccc21 661232535 GROWGKNSSJSSNI-AWEZNQCLSA-N 392.381 2.530 0 40 GFAB Cn1cc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 670014769 CPWRVYGBLIBXKM-CYBMUJFWSA-N 382.873 2.676 0 40 GFAB O=c1ccc(-c2ccccc2)nn1C1CN(c2ncc(Br)cn2)C1 1775972818 XCVHOAFFYCUHNO-UHFFFAOYSA-N 384.237 2.524 0 40 GFAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)Cn3cccn3)[C@H]1CCCCC(=O)N2 2037784245 NXWOWGXEEFSOMY-DXIQSLLYSA-N 380.492 2.544 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037840608 OLZAODUOLYUHOB-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB COc1ccc(C(=O)CCS(=O)(=O)CCC(=O)c2ccc(OC)cc2)cc1 1563770 COSCPKNEFZRCCP-UHFFFAOYSA-N 390.457 2.964 0 40 GFAB Cc1ccc(C)c(CS(=O)(=O)c2nnc(CCNC(=O)OC(C)(C)C)o2)c1 2414239 VOYIOXXYSPNBHX-UHFFFAOYSA-N 395.481 2.728 0 40 GFAB O=S(=O)(Cc1noc(C(F)(F)F)n1)c1ccc(OC(F)(F)F)cc1 2549648 LNRLIQYTSKVANE-UHFFFAOYSA-N 376.234 2.961 0 40 GFAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1 2720157 JYSMMOUAALMTBV-UHFFFAOYSA-N 386.433 2.709 0 40 GFAB CC(=O)[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(C)C 3256209 WQFXZOVYHJHYJJ-KRWDZBQOSA-N 399.447 2.663 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C(=O)[C@H]2C)cc1 3263141 KTKTVWWPPOJKRU-CQSZACIVSA-N 395.415 2.562 0 40 GFAB CCOC(=O)N1CCC(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)CC1 4034831 MDMUXSZXLZEJDD-SFHVURJKSA-N 395.544 2.835 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)cc1C 4316019 OXCKLYAMTNIKHN-UHFFFAOYSA-N 383.835 2.908 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1cccc(Cl)c1 4984901 ODMOOSUWPPJQAZ-KRWDZBQOSA-N 383.835 2.930 0 40 GFAB CCCCCCC(=O)CCCCCC/C=C\C[C@H]1OC(=O)[C@@](N)(CO)[C@H]1O 5202875 SWRBTIXRGZAKBN-USXQHOBPSA-N 383.529 2.789 0 40 GFAB O=C(O)c1ccc(NC(=O)[C@@H]2Cc3cc(Br)ccc3C(=O)O2)cc1 5303357 CTAKMTTXCBPNFV-AWEZNQCLSA-N 390.189 2.868 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1OC 5834717 BGWGWHSBKAZERL-UHFFFAOYSA-N 388.372 2.523 0 40 GFAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 6967246 ICMFBHFYBMSCQN-XSFVSMFZSA-N 377.444 2.925 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3ccccc3s2)cc1 7534263 DDGBDQMZYUUDDB-UHFFFAOYSA-N 377.443 2.785 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccccc1C 7723337 MUJRJEOXBOQXFD-UHFFFAOYSA-N 394.518 2.985 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2)cc1 8413328 QVYARPUDAZFQJP-UHFFFAOYSA-N 398.415 2.682 0 40 GFAB Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 8732536 DYOMUBGFRLFPAI-OAHLLOKOSA-N 382.416 2.758 0 40 GFAB O=C1NC(=O)[C@H]2[C@H]1[C@@H](C(=O)c1ccccc1Cl)N1c3ccc(F)cc3C=C[C@H]21 9422348 NVPOKVXVPBYCIS-BDXSIMOUSA-N 396.805 2.835 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCCC(C)C)cs2)cc1 9828561 REDZQJVXQPVPEJ-UHFFFAOYSA-N 381.523 2.957 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10227796 PBNYQARRNOULMV-LIRRHRJNSA-N 380.444 2.785 0 40 GFAB CC(C)(C)OC(=O)NCCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752079 XFOMNSLODZVWCC-UHFFFAOYSA-N 379.438 2.921 0 40 GFAB Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2c1ccc1ccccc12 12907943 ZRIPMLCGTZHHPA-UHFFFAOYSA-N 391.471 2.931 0 40 GFAB CC[C@@H]1CCc2sc(C(=O)NC3CCN(S(=O)(=O)CC)CC3)cc2C1 12927589 UJTANGJDKIVJFM-CYBMUJFWSA-N 384.567 2.807 0 40 GFAB C[C@H]1CN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C[C@@H](C)O1 12984946 JXFARLUWIWXFHC-OCAPTIKFSA-N 381.643 2.834 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 13009458 PXNXMRPTLHCRHW-UHFFFAOYSA-N 391.435 2.545 0 40 GFAB COc1ccc2[nH]c(C)c(C(=O)CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c2c1 15890147 IJXXOEAHBKEJRV-JKSUJKDBSA-N 391.471 2.949 0 40 GFAB CCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 16681676 MVUCBKRQBWTFRD-UHFFFAOYSA-N 382.869 2.680 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C)c3cc4ccccc4o3)ccc21 18203558 JCGXPIVJFJYBRS-GFCCVEGCSA-N 377.400 2.947 0 40 GFAB COc1ccc(CN2C[C@@H](c3cccc(C)n3)[C@@]3(CCCC(=O)N3)C2)cc1CO 19236365 ZGRPYSDZBFMZCI-WMZHIEFXSA-N 395.503 2.529 0 40 GFAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1-c1ccncc1)C2 19341653 HNGYTSCUUCMKID-UHFFFAOYSA-N 384.443 2.576 0 40 GFAB CCC(=O)N1CCO[C@](Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC)C1 19498951 BZNKAARCKGIIKJ-QHCPKHFHSA-N 380.488 2.958 0 40 GFAB CCn1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19523942 YYGCXNQRHMSLEF-QGZVFWFLSA-N 384.528 2.665 0 40 GFAB COc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19572115 VTAJIIDAHDVXCC-CQSZACIVSA-N 383.477 2.677 0 40 GFAB O=C(c1nn2cccnc2c1Cl)N1CCN(Cc2cccc(Cl)c2)CC1 20028615 MHDBRNBSRDKOTN-UHFFFAOYSA-N 390.274 2.994 0 40 GFAB COc1ccc(Br)cc1CN1CCC(N2CCN(C)CC2)CC1 20220134 DBTACQHFBNCWFW-UHFFFAOYSA-N 382.346 2.670 0 40 GFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 20489587 XOVGMVKRBBJOEI-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(F)cc2F)c1 22901094 LWIACOQFZQMSQY-UHFFFAOYSA-N 382.432 2.844 0 40 GFAB COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c(OC)c1 23105860 JJKTZZKVMJKTSE-HXUWFJFHSA-N 384.476 2.816 0 40 GFAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN(c2cccc(Cl)c2)CC1 24353960 OPPKEXAEASFQSY-UHFFFAOYSA-N 381.867 2.942 0 40 GFAB Cc1cccc2nc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)cn12 24579862 IVDJQTSEDQIRFD-UHFFFAOYSA-N 376.338 2.771 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C 24989437 PVPXYCFOCWRKHO-NYCLONFESA-N 395.569 2.987 0 40 GFAB NC(=O)CCc1nnc(SCCCC(=O)c2ccc(F)cc2)n1C1CC1 25052587 ARLOJFNPDYRZED-UHFFFAOYSA-N 376.457 2.925 0 40 GFAB CCOc1ccc2nc(NC(=O)CCn3nnc4ccccc4c3=O)sc2c1 27452561 NSVPMAJERTZGAC-UHFFFAOYSA-N 395.444 2.829 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2c(C)nn(C)c2nc1C 29008503 CQRYKXBVPDYPHQ-UHFFFAOYSA-N 384.436 2.541 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)c1 29984524 DYGDHNBTWTURLQ-UHFFFAOYSA-N 396.447 2.506 0 40 GFAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCC(C)C 33655168 DOKBDWHOBCTQGD-UHFFFAOYSA-N 382.526 2.757 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccccc3O)CC2)c1C 35344018 AAMMNJVUNAPMDS-MRXNPFEDSA-N 399.491 2.907 0 40 GFAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)o1 35597591 DDUWQOLVYGYBKE-UHFFFAOYSA-N 393.446 2.935 0 40 GFAB Cc1ccc(OCc2nc(C)c(C(=O)NCCCN3CCOCC3)s2)cc1 36107979 XWLCNPWEBVKNOW-UHFFFAOYSA-N 389.521 2.791 0 40 GFAB O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47666159 APUBDKAATYUEIL-GFCCVEGCSA-N 379.338 2.967 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(Cl)c2c(c1)OCO2 47982708 GJRDAYXSWWHZDR-UHFFFAOYSA-N 392.814 2.986 0 40 GFAB CC(C)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 48312727 UIAFYLGKGUKZJN-INIZCTEOSA-N 397.441 2.607 0 40 GFAB CCc1ccc([C@H](NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c2cccs2)cc1 54397351 SRJQNPPUVZJAPU-IBGZPJMESA-N 397.500 2.834 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C(=O)OCC)CC2)c1C 57024362 JARWDVYOGCEUGT-AWEZNQCLSA-N 378.469 2.655 0 40 GFAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(NC(N)=O)cc1 58053063 LQIZWXPAQQDRAJ-RHSMWYFYSA-N 385.468 2.968 0 40 GFAB CC(=O)N(C)Cc1cccc(NC(=O)Cc2nnc(-c3ccccc3)n2C)c1 58202108 KQFNRVMNKBUYES-UHFFFAOYSA-N 377.448 2.642 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)CC1 58356292 GKJZKCXTVBRUQG-QINSGFPZSA-N 390.427 2.563 0 40 GFAB O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 58687257 JTUXMTKKBYYYAR-SNVBAGLBSA-N 376.210 2.541 0 40 GFAB COCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc2nccnc2c1 60101645 FZANNJUYHSTPKU-SFHVURJKSA-N 390.399 2.683 0 40 GFAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 60347888 IMUKQRYTXFKBRO-UHFFFAOYSA-N 397.403 2.855 0 40 GFAB Cc1cc(N2CCNC(=O)C[C@H]2c2ccccc2)n2nc(C(F)(F)F)nc2n1 71186412 CWBBTJNWKSRQCW-ZDUSSCGKSA-N 390.369 2.519 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 71285360 UAEZIAPMEXQAKZ-DLBZAZTESA-N 379.416 2.580 0 40 GFAB CC(=O)Nc1ccc(CN2CCc3c(O)nc(N4CCC[C@@H](C)C4)nc3C2)cc1 72347336 JJNOEIXHULFSFZ-OAHLLOKOSA-N 395.507 2.935 0 40 GFAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2c(C)noc2C)CC1 72348250 TVPICGGSSVNLMB-UHFFFAOYSA-N 378.432 2.951 0 40 GFAB O=C(O)c1cccc(NC(=O)[C@H]2CC(O)=Nc3nnc(-c4cccs4)n32)c1 72405610 UPJAIQOLMMZTJH-LLVKDONJSA-N 383.389 2.876 0 40 GFAB C[C@@]1(NC(=O)Nc2ccc(Br)cc2Cl)CCS(=O)(=O)C1 84673555 NVCRVZPAKDWCSB-GFCCVEGCSA-N 381.679 2.801 0 40 GFAB CCc1ccc(N2CCN(CCOc3cccc(S(C)(=O)=O)c3)CC2)cc1 89284913 SQSICHXISGIFKI-UHFFFAOYSA-N 388.533 2.854 0 40 GFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1cncc(F)c1 95465090 BAZBHOJYBGBTAZ-ZDUSSCGKSA-N 391.468 2.933 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)COc2c(C)cccc2C)C1 95998694 AAOAJBSEYFNSFV-INIZCTEOSA-N 399.495 2.953 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4[nH]3)n(C)n2)cc1 96117214 DYAZCWAYZAYBGV-UHFFFAOYSA-N 375.432 2.945 0 40 GFAB COC(=O)c1nc(NC(=O)Cn2ccc3c(NC(C)=O)cccc32)sc1C 96118774 QAXHNTVLBKGYTG-UHFFFAOYSA-N 386.433 2.790 0 40 GFAB COc1cccc(CN2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)c1 96260344 QPIVCMXPQCZWFM-UHFFFAOYSA-N 396.535 2.895 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)OCCO)cc1 96338056 PZRXJEZPZQYEAR-OAQYLSRUSA-N 389.517 2.902 0 40 GFAB Cc1cccc(Nc2ccc(N3CCN(C(=O)Cc4cccs4)CC3)nn2)n1 96817329 VQYITYFOHWVCQO-UHFFFAOYSA-N 394.504 2.876 0 40 GFAB C[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)c1ccc2c(c1)CCC(=O)N2 97907375 ZKUDULLPABBYQF-CQSZACIVSA-N 385.489 2.525 0 40 GFAB CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCc3c(Cl)cccc32)s1 98033814 TYRHPEIMGUUNNV-CQSZACIVSA-N 399.925 2.796 0 40 GFAB O=C(c1ccc2[nH]cnc2c1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98212489 XWHAHUYGHSEPQV-UHFFFAOYSA-N 378.461 2.977 0 40 GFAB Cc1nc(C)c(C(=O)NCc2cc(O)n3nc(-c4ccccn4)cc3n2)s1 100744431 QZPNIFLLXMBLSK-UHFFFAOYSA-N 380.433 2.500 0 40 GFAB CC(=O)N[C@H](C(=O)/N=c1/sccn1Cc1ccccc1F)C1CCCC1 101464686 YMPHUMCYRZKOKU-XENKUQMPSA-N 375.469 2.859 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102593047 UFJHFFHNUULDFO-CPCNMJHFSA-N 391.254 2.985 0 40 GFAB Cc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)c(C)c1 138315120 ISUMHDGMVGMXKU-KPDCDPCYSA-N 394.471 2.975 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218599995 KNSPEFDVYGFDKP-BQFCYCMXSA-N 397.855 2.679 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218607885 DGOJOBKVXMEEOL-XYJFISCASA-N 397.855 2.679 0 40 GFAB Cc1cccc(N([C@@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)c1 222760930 FKRYNEIGXPLLJQ-HNNXBMFYSA-N 384.567 2.942 0 40 GFAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223058209 JLKFJUXRUGISKX-NRFANRHFSA-N 382.504 2.781 0 40 GFAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)s1 223125620 LDBATUAWBHHSOS-ROUUACIJSA-N 388.562 2.756 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1Cl 223827059 YXTGVTFWCUMCRI-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225942941 KKEXQHFWPKQDMP-CXAGYDPISA-N 376.453 2.784 0 40 GFAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1cc(F)ccc1F 238954732 XSDRZIYINIMWFO-GOSISDBHSA-N 392.383 2.610 0 40 GFAB Cc1ccc(C)c(-n2nc(C(=O)O)c(N3CCN(c4ccccc4)CC3)n2)c1 256047434 MLWFHFMFNJERPD-UHFFFAOYSA-N 377.448 2.909 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC3(CC2)C[C@H](Cc2ccccc2)N(C)C3=O)n1 257252123 JTQFOZXWHHAWCM-FQEVSTJZSA-N 394.519 2.582 0 40 GFAB CC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 257262672 LMIQSFWPUGEMCD-GOSISDBHSA-N 398.482 2.817 0 40 GFAB Cc1noc(C)c1-c1cnc(C2CCN(C(=O)COc3cccnc3)CC2)cn1 257282445 OTUMYAGLACOSDF-UHFFFAOYSA-N 393.447 2.928 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cncnc3C)CCO2)n1 257299122 ROVCMTVEWRITAV-LJQANCHMSA-N 393.447 2.920 0 40 GFAB O=C(CC1(C(=O)O)CCC1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 262470442 GVIRFTDZDYQQCS-UHFFFAOYSA-N 398.381 2.635 0 40 GFAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408700667 JXEIFLATKRTMCX-INIZCTEOSA-N 382.526 2.746 0 40 GFAB Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCS1(=O)=O 521062891 CKWVTUWXFOHOQA-AWEZNQCLSA-N 387.383 2.715 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(-c3c(C)nn(C)c3C)[nH]n1)CC2 524735055 RLJLMXDONLROIN-OAHLLOKOSA-N 395.463 2.862 0 40 GFAB Cc1cc(O[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3F)C2)nc(C)n1 575607266 BAFQIRDBRBUMBW-CQSZACIVSA-N 383.420 2.604 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575613408 QKBNKKCUQQTLRO-HNNXBMFYSA-N 392.253 2.688 0 40 GFAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N1CC(OCc2nc(C)no2)C1)CC3 585088717 LHVDAMCKSCNGMJ-AWEZNQCLSA-N 395.463 2.636 0 40 GFAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 585292604 LIIGDSAZIKHYQA-DKFQHHCZSA-N 387.447 3.091 0 40 GFAB CCN(C(C)=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 617544720 YAWGIWDEYZHKIK-GASCZTMLSA-N 397.479 2.715 0 40 GFAB COc1cccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(O)c32)c1OC 670416142 QRPWJQIMPKMPLH-ZDUSSCGKSA-N 384.436 2.664 0 40 GFAB COC[C@H](NC(=O)c1ccc2nnc(O)n2c1)c1cccc(C(F)(F)F)c1 677813514 LHNJFIIOIGIJMJ-ZDUSSCGKSA-N 380.326 2.571 0 40 GFAB O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)Nc1ccc(F)c(Cl)c1 794798 HWEADFVRIVKJFA-UHFFFAOYSA-N 375.747 2.500 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)N=c3[nH]c4ccccc4[nH]3)c(C)c12 9059642 YMYWIJRTZDATKA-UHFFFAOYSA-N 377.400 2.898 0 40 GFAB C[C@H]1CN(CCCCNc2nc(N(C)C)cc(C(F)(F)F)n2)C[C@@H](C)O1 79063586 GCEORVPPHVCODK-BETUJISGSA-N 375.439 2.863 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H]1C[C@H](O)c1cccs1 79045443 RVJRVNHARVAPLR-YOEHRIQHSA-N 383.473 2.573 0 40 GFAB Cc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccco1)CCS3 4973407 ZBONKSNQIBSMBY-UHFFFAOYSA-N 394.456 2.675 0 40 GFAB CC[S@](=O)c1ccccc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 24755858 UHNSFBANSSPGDI-AREMUKBSSA-N 388.474 2.617 0 40 GFAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCO)CC2)c1 25702116 VFGFFBJTNQYCRM-UHFFFAOYSA-N 390.487 2.598 0 40 GFAB Cc1cc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)nn1C 9001903 TUPCQSKUMCCYLN-UHFFFAOYSA-N 377.420 2.579 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H](C(=O)OCC)C2)c1C 57406290 WRCIABDVMDFQBI-CABCVRRESA-N 378.469 2.655 0 40 GFAB O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccco1 57991104 ZHUFMYUFAIGLKR-UHFFFAOYSA-N 388.420 2.827 0 40 GFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCNc1ncnc2sccc12 48285903 GOWORWZZSGHXJJ-UHFFFAOYSA-N 378.461 2.648 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CNc1ccccc1N1CCCC1=O 10180098 SRAYHSWPDPVXIC-UHFFFAOYSA-N 396.447 2.831 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc3ccccc3s2)s1 12792748 SVPFEVGPQUVOIT-UHFFFAOYSA-N 381.504 2.702 0 40 GFAB CC(C)CCNC(=O)CCC(=O)N1CCN(c2nsc3ccccc23)CC1 44918907 XCIYDBJOELMSLZ-UHFFFAOYSA-N 388.537 2.887 0 40 GFAB Cc1c(CCC(=O)NC2(C(=O)O)CCCCC2)c(=O)oc2c(C)c(O)ccc12 2105425 YZIPRXZMDZUQFN-UHFFFAOYSA-N 387.432 2.952 0 40 GFAB biogenic CC[C@]1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnnn32)CO1 2254634 WUWLEXONFKJHMX-LJQANCHMSA-N 381.461 2.790 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc3ccccc3c2)CC1)NCc1ccccc1 36386909 ZYVXYUWEHZMXGL-UHFFFAOYSA-N 387.483 2.914 0 40 GFAB COCc1nnc(NC(=O)Cc2csc(-c3ccc(OC)cc3)n2)s1 36357264 ICGVUHKTNURWPO-UHFFFAOYSA-N 376.463 2.998 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 20492746 LIOUOZVPNVHOAH-KRWDZBQOSA-N 378.538 2.795 0 40 GFAB C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O 48331972 QMODLOBIQGPKEI-GTNSWQLSSA-N 399.230 2.793 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NCc2cc(F)ccc2Br)cc1 48355111 NRASRKWGYBSRDF-UHFFFAOYSA-N 386.242 2.922 0 40 GFAB COCCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2C)nc(C)c1C 48356020 HIGOYDAVVMDGTC-UHFFFAOYSA-N 379.530 2.908 0 40 GFAB O=C(Nc1ccc2c(c1)C(=O)NCC2)NC1CCN(Cc2ccccc2)CC1 95398203 RDNHKEQSFWGTOD-UHFFFAOYSA-N 378.476 2.759 0 40 GFAB CC(C)[C@H](NC(=O)c1ccncc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769432 BEXVETYCCBHPJU-FQEVSTJZSA-N 395.463 2.851 0 40 GFAB O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCC2)c1 2658949 PWRHBVGBHHUTPW-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB Cc1ccccc1OCCN(C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 12872376 CUJAMLMCCKCCAE-UHFFFAOYSA-N 391.427 2.989 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)c1C 12889989 DFTHUWPFTVAJRF-UHFFFAOYSA-N 396.447 2.707 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C 9158936 XCRPTWWZVNGVIH-UHFFFAOYSA-N 378.450 2.685 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CC(=O)O)c2ccccc2)C1=O 13428008 DCHUISHEHHPLIQ-ZBFHGGJFSA-N 382.416 2.523 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c(C)c1 4165974 WYQVIBBSJAPRMO-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 4385076 CJHAHMWHLXBGHM-MRXNPFEDSA-N 397.427 2.873 0 40 GFAB CCSc1nnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1 14184072 IXSJXEDSNFVROO-UHFFFAOYSA-N 391.453 2.896 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2ccco2)CC1 14202434 NPTCTCLACIFKSD-UHFFFAOYSA-N 390.383 2.685 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)N(C)Cc3c(C)noc3C)CCC2)cc1 65866359 MXCBHTORYWLAFY-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1ccccc1 5407729 XDIYSYWBVVDJPA-BBVFFXRHSA-N 387.505 2.531 0 40 GFAB O=C(CCCC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 5582987 SUCVSCXJCFQYBM-UHFFFAOYSA-N 398.415 2.977 0 40 GFAB COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 4740130 ICHCNARBKJBGSA-QLFBSQMISA-N 379.844 2.547 0 40 GFAB COc1ccc(C(=O)NCC(=O)N(C)Cc2nc3ccccc3s2)cc1OC 15091555 IXBQJRLYNWEODS-UHFFFAOYSA-N 399.472 2.702 0 40 GFAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cn(C)nc2C)n2ncnc2N1 6922391 DJSFZQBHGHRUQR-SFHVURJKSA-N 377.452 2.864 0 40 GFAB Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 19864986 UTURWVBKNYOFLK-HXUWFJFHSA-N 386.517 2.853 0 40 GFAB Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857198 IHGZHFGCHWWDJR-HXUWFJFHSA-N 386.517 2.853 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 67477341 VMVNELLCUSJBDD-HNAYVOBHSA-N 376.460 2.974 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 71850239 RGUDVYDBQZLSDM-INIZCTEOSA-N 394.518 2.616 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccc(Br)s3)nc2n1 8283069 VWRUGHSHTHHRCZ-UHFFFAOYSA-N 395.238 2.605 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCCOCc1ccccc1 8941986 VWRYVDVBJWQVAD-UHFFFAOYSA-N 379.460 2.969 0 40 GFAB O=S(=O)(Cc1cccc2cccnc12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 95980111 QXRQYOJRACEOIM-INIZCTEOSA-N 397.504 2.940 0 40 GFAB CCc1ccc(NC(=O)c2nc(S(=O)(=O)CC)ncc2Br)cc1 27743854 FJUWYIYIHUDPHU-UHFFFAOYSA-N 398.282 2.847 0 40 GFAB COc1cccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 408621008 NUOGNUAXHNSUOO-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)Cn2cccn2)C1 72384404 MZVCIEGTXRVDLB-MRXNPFEDSA-N 378.436 2.575 0 40 GFAB O=C(c1nc2ccccc2s1)N1CCCc2cnc(N3CCOCC3)nc21 675008213 IYBKRPMADRSVPN-UHFFFAOYSA-N 381.461 2.516 0 40 GFAB CN1CCN(C(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)CC1 23143191 RUBYPWFWMRVGJS-UHFFFAOYSA-N 399.926 2.787 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349307 BLTMGLKLOUYSMR-MRXNPFEDSA-N 377.485 2.797 0 40 GFAB O=C(c1ccc(=O)[nH]c1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77190949 UNQCINVQPTZDJO-UHFFFAOYSA-N 390.321 2.683 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218057455 RYHGUKGEQGOVDM-JENIJYKNSA-N 393.892 2.788 0 40 GFAB Cn1ccnc1[C@@H](O)c1ccccc1N1CCN(Cc2cccc(O)c2)CC1 72340480 RNBOMXDCTBETBV-NRFANRHFSA-N 378.476 2.530 0 40 GFAB Cc1cc(CN2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C 96225927 OQQQHNHHYDXDQQ-OAQYLSRUSA-N 382.464 2.671 0 40 GFAB COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nc(C)no4)cn3)C2)cc1F 90591975 XBGIINNRSUWXGT-OAHLLOKOSA-N 397.410 2.596 0 40 GFAB Cc1nc([C@]2(C)CCCN(C(=O)c3ccccc3F)C2)nc2c1CC(=O)N2C 257226716 FLVFGSNDERUWCV-OAQYLSRUSA-N 382.439 2.637 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1 260759569 BSHVKRJLNAVQJU-CQSZACIVSA-N 376.478 2.972 0 40 GFAB CCCc1nc(-c2noc([C@@H]3CC(=O)N(C4CC4)[C@H]3c3cnn(C)c3C)n2)co1 664885087 NNSCFUKXUNSNPO-FZKQIMNGSA-N 396.451 2.939 0 40 GFAB CO[C@H](CS(=O)(=O)Nc1cc(C(=O)O)c(Cl)cc1C)C1CCOCC1 647133697 SCLJNNAKNWAVAE-OAHLLOKOSA-N 391.873 2.530 0 40 GFAB Cc1cc(CCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)ccc1Cl 96122086 DVXUBOZTSYUECQ-UHFFFAOYSA-N 381.881 3.000 0 40 GFAB C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585097524 KZWTVCURNKTJDR-AWEZNQCLSA-N 391.475 2.793 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccs4)CC3)[C@H]2C1 585106281 NEYCLNTUSSROSE-OAGGEKHMSA-N 375.538 2.589 0 40 GFAB CC[C@H](N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 33040121 RCOQHIZVXGVCFI-KSSFIOAISA-N 375.494 2.710 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)C1 72397131 YPSGRCMPUCELHJ-OKZBNKHCSA-N 396.491 2.743 0 40 GFAB Cc1noc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)n1 54664521 OPFHVNVNGSDWOZ-GOSISDBHSA-N 394.475 2.626 0 40 GFAB Cn1cnc(-c2ccc(NC(=O)N3CCN(Cc4ccccc4)CC3)cc2)n1 96013029 LHKHQWHQUIIQTB-UHFFFAOYSA-N 376.464 2.832 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615161217 XAKTYZHKBKTQSA-QFIPXVFZSA-N 398.434 2.629 0 40 GFAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccccc3F)CC2=O)cc1OC 13004006 DRUUHHCSZZYJEA-OAHLLOKOSA-N 386.423 2.873 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(F)c(F)c1 13672214 XMOFCBXOKVSPCC-UHFFFAOYSA-N 380.416 2.710 0 40 GFAB Cc1cccc(CN2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)n1 19236335 IRNHPWCMNBQHSI-UWJYYQICSA-N 387.430 2.543 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC(c2nnc3n2CCCCC3)CC1 19293133 VTVZDPYEGBGICG-UHFFFAOYSA-N 396.463 2.851 0 40 GFAB CCCc1cc(C(=O)N2CCO[C@H](c3nc(Cc4cccs4)no3)C2)no1 19525358 SHULBRCIJUYOEZ-HNNXBMFYSA-N 388.449 2.876 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19590633 ONWWTOFPIBSJMF-ZDUSSCGKSA-N 386.883 2.756 0 40 GFAB CCCC(=O)N(C)Cc1nc(NC)cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 19700848 JSTUEDAGFHCGGG-CQSZACIVSA-N 399.470 2.936 0 40 GFAB c1ccc(N2CCCCC2)c(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c1 19711055 HMGFCMBLJKWMEQ-IBGZPJMESA-N 380.540 2.751 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cnc(O)c(Cl)c1 225793641 KTOFSSQFNSDSQJ-UHFFFAOYSA-N 387.871 2.508 0 40 GFAB COc1ccc(-c2nccc3ccn(CC(=O)N[C@H]4CCC[C@H]4O)c23)cc1OC 12135476 SOAAQPTUMVNBOS-DLBZAZTESA-N 395.459 2.750 0 40 GFAB CC[C@@H](C)NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19499963 WMHYULQXEIAQIQ-CYBMUJFWSA-N 380.872 2.639 0 40 GFAB CSc1nc2c(c(N3CCN(c4nc(C)nc5c4CCC5)CC3)n1)CCC2 1888876461 RVYJLUSQLSLTSM-UHFFFAOYSA-N 382.537 2.601 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CC(Cn2cc(Br)cn2)C1 1889214365 LHGLHVXFHCVASZ-UHFFFAOYSA-N 390.690 2.620 0 40 GFAB CC1CC(C(=O)N2C[C@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)C1 1565550486 AGQLKQSJEUAHJY-VMBOVVBDSA-N 376.522 2.666 0 40 GFAB Cc1ccc(N2C[C@H](NC(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2=O)cc1 4497005 UVLKXYXYPDJJLD-OAHLLOKOSA-N 375.428 2.889 0 40 GFAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N)cc1 5257404 WBYKQIWJJWAOBH-UHFFFAOYSA-N 381.461 2.516 0 40 GFAB O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc2ccccc2c1 9571197 CXUUOUJHTLUITP-UHFFFAOYSA-N 399.863 2.947 0 40 GFAB COc1ccc(NC(=O)NCCCn2nc(-c3ccncc3)ccc2=O)cc1 11747076 LACSDFSRIZRGLW-UHFFFAOYSA-N 379.420 2.526 0 40 GFAB COC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)CCC1CCCCC1)C(F)(F)F 12402732 GRFLXIGTIDMHGJ-MRXNPFEDSA-N 377.359 2.768 0 40 GFAB Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccccc3)cn12 20280133 BGQKVIMWPQLTFN-UHFFFAOYSA-N 384.505 2.823 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)c2ccccc2Cl)cc1 206853685 PUSXPGLWNAAEFK-INIZCTEOSA-N 383.853 2.793 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1OC 105862488 NRFAFZVUPWRRRK-OALUTQOASA-N 394.471 2.792 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sc(Cl)cc3C2)cc1 575617056 WNWMWNNJUIBGPC-UHFFFAOYSA-N 384.910 2.850 0 40 GFAB Cc1ccc(CC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 24045573 PJTUINRSFBOOAG-FQEVSTJZSA-N 385.895 2.562 0 40 GFAB CN(CC(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)nn1 40069017 CXKPZFFTWFQIJG-UHFFFAOYSA-N 380.279 2.568 0 40 GFAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3ccccc3Cl)CC2)C[C@@H](C)O1 40090547 VFMDCMXHVBGQKW-HUUCEWRRSA-N 378.900 2.757 0 40 GFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1nonc1NC(=O)C12CC3CC(CC(C3)C1)C2 100209156 QQXLRZUIQVMITI-URIUICLUSA-N 398.463 2.904 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)s1 50533381 GVSHHSPHFZZADM-UHFFFAOYSA-N 377.491 2.900 0 40 GFAB CNc1snc(C)c1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 31245093 NUKFLWAUACRYQO-UHFFFAOYSA-N 386.521 2.755 0 40 GFAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCN1CCc2ccccc2C1 31337831 NMWNEGAHHKPPAR-OAHLLOKOSA-N 385.895 2.633 0 40 GFAB Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)CC1 100643458 TZHZUCUJVSBWEW-UTKZUKDTSA-N 390.549 2.842 0 40 GFAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC2CCCC2)c(C)c1 32405903 UITFEOQJZCXRCJ-UHFFFAOYSA-N 382.526 2.805 0 40 GFAB COc1cc2c(cc1/C=C/C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)O[C@@H](C)C2 32672187 JROLNTHAUBOUDJ-NNOMMRTBSA-N 387.354 2.642 0 40 GFAB COC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)cc1 21360304 KBQSSHXWYLKWSF-UHFFFAOYSA-N 384.436 2.579 0 40 GFAB CN(Cc1ccc(Br)cc1)[C@@H](C(=O)NC(N)=O)c1ccccc1 21581268 SSFYAEDHZUNHHS-OAHLLOKOSA-N 376.254 2.817 0 40 GFAB Cc1cc(NS(=O)(=O)c2c(C)nn(C)c2Cl)ccc1N1CCCC1=O 32933543 YAGXOJVQCCJUAX-UHFFFAOYSA-N 382.873 2.618 0 40 GFAB Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccco2)c1 1328508 IGWKABJYGBADJL-UHFFFAOYSA-N 384.461 2.787 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)O 2391083 IEAOAWZLUGOPJX-INIZCTEOSA-N 375.425 2.578 0 40 GFAB COCCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O 2809829 INLBONNEEWRBEV-UHFFFAOYSA-N 382.460 2.759 0 40 GFAB O=C(O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F 3268044 FDCARSJLJIFTCB-AWEZNQCLSA-N 385.363 2.906 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2Cl)ccc1O 3432495 KMCOYTFFTODQAH-VQHVLOKHSA-N 375.808 2.927 0 40 GFAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCCCC1 3599436 OANLAHAISSTIOT-QHCPKHFHSA-N 391.471 2.689 0 40 GFAB COc1ccccc1C(=O)NCCn1cc(SCC(N)=O)c2ccccc21 4061002 JVHNAMKUQCUZIR-UHFFFAOYSA-N 383.473 2.657 0 40 GFAB CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1 4585906 HBEKWFUXRPQTOD-UHFFFAOYSA-N 387.417 2.791 0 40 GFAB CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C 5026586 YVUZCKDRHFSXAL-UHFFFAOYSA-N 389.887 2.593 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)Cc3ccc(OC)c(OC)c3)CC2=O)cc1 5220363 FZIMQFDSTGLEKC-INIZCTEOSA-N 398.459 2.567 0 40 GFAB Cc1nc2sc(C(=O)OCC(=O)Nc3c(F)cccc3F)c(C)c2c(=O)[nH]1 5311743 YURNNEIQCZVNSS-UHFFFAOYSA-N 393.371 2.675 0 40 GFAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCOCC1 5481898 GSFAMTKCRYFSKD-NRFANRHFSA-N 380.488 2.818 0 40 GFAB Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4ncccn4)CC3)CC2)c1 5986767 JBGJHRQFJZHNSQ-UHFFFAOYSA-N 379.508 2.659 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCC12CC3CC(CC(C3)C1)C2 6086703 ZFPNWHAJFBVVLN-UHFFFAOYSA-N 396.940 2.951 0 40 GFAB CCOc1ccc(CCNC(=O)Cn2cnc3ccccc3c2=O)cc1OCC 6086822 JSIPEMHKSAQBCD-UHFFFAOYSA-N 395.459 2.553 0 40 GFAB COCCNC(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 6949925 GOUAMVJBFFRSNX-CPNJWEJPSA-N 389.455 2.921 0 40 GFAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 6997801 JHGBDFYVCCIMTH-UHFFFAOYSA-N 377.780 2.672 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nc(-c3cccs3)oc2=O)c1C 7250983 LTZGZKPOJNYSRC-UHFFFAOYSA-N 375.406 2.569 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)o1)N1CCN(c2ccccc2F)CC1 7327323 HNSSDPPWBKTVJM-UHFFFAOYSA-N 399.451 2.712 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc1OC 7457979 DSWHJBOFNJFSQB-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CCOc3ccc(OCC)cc3)c(=O)c12 7553595 JPALVRXNWRDMOT-UHFFFAOYSA-N 386.404 2.952 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 7986034 HZFAYBSTVDIGQF-INIZCTEOSA-N 389.791 2.855 0 40 GFAB O=C([C@@H]1CN(C(=O)c2cc3ccccc3o2)c2ccccc2O1)N1CCOCC1 8324566 SIUGGODFXGXZPV-FQEVSTJZSA-N 392.411 2.699 0 40 GFAB COCCCNC(=O)c1c(NC(=O)c2snnc2C)sc2c1CCCC2 9250878 MXAGUIKXJGESLT-UHFFFAOYSA-N 394.522 2.805 0 40 GFAB O=C(CSc1nnnn1CCc1cccs1)c1ccc2c(c1)OCCO2 10855490 UVPCMYNALLWLBJ-UHFFFAOYSA-N 388.474 2.724 0 40 GFAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 11363141 FIUZOADIYJJVFF-UHFFFAOYSA-N 379.463 2.720 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1 11806360 GNEBAWUCHFIQDG-YOEHRIQHSA-N 378.469 2.757 0 40 GFAB CCn1c(=O)n(CC)c2cc(NC(=O)CCN3Cc4ccccc4C3=O)ccc21 12198095 SQSLLEWJMNYITQ-UHFFFAOYSA-N 392.459 2.827 0 40 GFAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(-c3ccco3)on2)C1=O 12739965 MUVKVRZWIBLYTQ-UHFFFAOYSA-N 381.344 2.829 0 40 GFAB CSCC[C@@H](CO)NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 12896535 QHVXQEPANWNLJE-ZDUSSCGKSA-N 389.473 2.929 0 40 GFAB biogenic CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnn2c(C)cc(C)nc12 12952681 MRONPJSTYYQQBS-UHFFFAOYSA-N 387.390 2.725 0 40 GFAB O=c1[nH]ncc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1Br 14190801 WZDNNKYCXXUZFZ-UHFFFAOYSA-N 383.677 2.508 0 40 GFAB Cn1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)n1 14899680 PSWVPZHMEYFUOK-INIZCTEOSA-N 393.472 2.943 0 40 GFAB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nccs1 16641171 AUKJPVJLIJDYBL-BCNIOPEESA-N 397.547 2.794 0 40 GFAB Cc1cc(C)c2c(O)nc(SCC(=O)NCCc3ccc(F)cc3)nc2n1 18101980 YZLPIZTXAYSDTL-UHFFFAOYSA-N 386.452 2.937 0 40 GFAB Cc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1C 19214018 SZZLBALWNPKHHG-IAGOWNOFSA-N 382.508 2.559 0 40 GFAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)cc2n1 19522372 ONRQXHFRGUSNQZ-SMDDNHRTSA-N 382.386 2.805 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)n1 19572953 RAUMBXGHZARRDO-QZTJIDSGSA-N 396.539 2.635 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19579909 JIGURAQCKUOQDO-HNNXBMFYSA-N 393.447 2.794 0 40 GFAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)nn2C)cc1 19664057 NPCPTKHMOYPTFV-UHFFFAOYSA-N 378.388 2.679 0 40 GFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cnc(C)s2)CCO1 19702775 IFIGZOHZQDYUGV-CQSZACIVSA-N 388.518 2.994 0 40 GFAB CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)Cc2ccccc2)CC1 19704733 SXUKETMOJRLKGV-UHFFFAOYSA-N 391.519 2.815 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc2c1CCC(=O)N2C 19741306 URTPMQUGJRAYQY-AWEZNQCLSA-N 396.495 2.560 0 40 GFAB COc1cccc(CCNC(=O)CC2CCN(C(=O)c3oc(C)nc3C)CC2)c1 19748466 YESUWUSSRXXTMQ-UHFFFAOYSA-N 399.491 2.901 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCSc2ccc(C)cc2)cc1 20459537 DOLVEMAXLFGYNY-UHFFFAOYSA-N 379.503 2.993 0 40 GFAB CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20488439 DPGCQCAYXLXYQX-UHFFFAOYSA-N 382.526 2.547 0 40 GFAB COc1cccc(NC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1OC 22505881 TXVYCEQRSFVNDK-UHFFFAOYSA-N 391.449 2.888 0 40 GFAB COc1cc(NC(=O)CN2CCN(Cc3ccsc3)CC2)cc(OC)c1 23375716 LFQPEIIUUQRPMN-UHFFFAOYSA-N 375.494 2.522 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23731274 CXVWWUAYXOTRBD-VGSWGCGISA-N 395.507 2.821 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1 23761113 UIEWWYZJIFDVLQ-UHFFFAOYSA-N 386.926 2.787 0 40 GFAB O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCO[C@@H](c2ccccc2)C1 23897153 JPFMPIDGICGADB-LJQANCHMSA-N 378.428 2.549 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 27049660 MZPICOZTBFBARC-UHFFFAOYSA-N 386.517 2.503 0 40 GFAB COc1cccc(Cn2nc(C)c(NC(=O)Cn3nnc4ccccc43)c2C)c1 28237958 FJAUOHKCIBAQLJ-UHFFFAOYSA-N 390.447 2.940 0 40 GFAB C[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 29510306 MIXIPCQGRNIAJG-GJZGRUSLSA-N 384.929 2.999 0 40 GFAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 30853013 PWHDUVDLHPEDIU-HXUWFJFHSA-N 392.565 2.920 0 40 GFAB Cc1nc2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cc2nc1C 32841504 TZZWVHNFHDPMBE-FQEVSTJZSA-N 390.487 2.877 0 40 GFAB Cc1ccc(CN2CCCN(C(=O)c3ccccc3SCC(N)=O)CC2)cc1 40086999 PSBQNSLUOQVUIR-UHFFFAOYSA-N 397.544 2.921 0 40 GFAB O=C(N1CCCCC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 40155614 FAYICAFEOLXXDH-UHFFFAOYSA-N 391.479 2.519 0 40 GFAB CC(C)N1CCN(C(=O)c2ccc(F)cc2I)CC1 47841143 IIXIWBSKNRGXML-UHFFFAOYSA-N 376.213 2.597 0 40 GFAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 51163302 PBVIHMWLDMCJQK-UHFFFAOYSA-N 378.519 2.781 0 40 GFAB Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)n1Cc1ccccc1 60914400 WMKGXTQBTKCRAF-UHFFFAOYSA-N 397.500 2.731 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2snc(-c3ccc(OC)cc3)c2N)CC1 62007115 FHYVTSMRSUTJGY-UHFFFAOYSA-N 389.477 2.816 0 40 GFAB Cc1nc2c(cc(OCC(=O)N3CCNC(=O)CC3)c3ccsc32)s1 65902248 IHAKWISUFCBHFL-UHFFFAOYSA-N 375.475 2.547 0 40 GFAB CCN(CC)C(=O)CCCNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 72310133 HFHNTTIDUTXRBC-LJQANCHMSA-N 377.504 2.945 0 40 GFAB O=C(NCCn1ccc2ccc(Cl)cc21)[C@H](c1ccccc1)n1cnnn1 72402495 FPFZZMHMCZUZRH-SFHVURJKSA-N 380.839 2.687 0 40 GFAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)N1CCN(Cc2ccccc2)CC1 89420171 JPBWUPXVIINIAZ-KRWDZBQOSA-N 381.476 2.603 0 40 GFAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1O 89920494 XOZBABYOXUVRSL-VXNVDRBHSA-N 375.650 2.909 0 40 GFAB Fc1ccc(-c2nnc3n2C[C@H](NCc2c[nH]nc2-c2cccnc2)CC3)cc1 96002616 GZWPOWXLRTWGSZ-GOSISDBHSA-N 389.438 2.974 0 40 GFAB COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)nc2ccccn2c1=O 96113918 JEGZIYPXVHYPPV-OAHLLOKOSA-N 375.384 2.643 0 40 GFAB biogenic O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(C(=O)Nc3ccccc3)C2)C1 96225071 IHOYGLKGZOSUCW-OAQYLSRUSA-N 393.447 2.541 0 40 GFAB CCCCc1nc(CS(=O)(=O)[C@@H](C)C(=O)N2CCCc3ccccc32)no1 98151838 SKDIRHBDVLASQZ-AWEZNQCLSA-N 391.493 2.695 0 40 GFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)[C@@H](C)Oc3cccc(C)c3)C(=O)[C@H]12 102621456 VBYFAYGFGIGFRT-DAYRTQLQSA-N 382.460 2.771 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 222944241 IJLRQCNOHHGUFF-HNNXBMFYSA-N 376.478 2.502 0 40 GFAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)nc1 223566330 RIMXLEWUUBHWAR-RTBURBONSA-N 379.489 2.541 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c(C)c1 224082300 XIFVYASTOSUCDR-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB C[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H]([C@H](C)C(=O)O)O2)O1 253387544 VIHRKOVEWCGJQP-STAFUDLVSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257202060 AKHMSBTWEWASCY-KRWDZBQOSA-N 383.370 2.970 0 40 GFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cccnc2)CC1 257217500 CZFXMCWHPPBABZ-MQSCRBSSSA-N 395.503 2.531 0 40 GFAB Cc1ccsc1C(=O)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306132442 LIVWVBQJDDUOJG-ZWKOTPCHSA-N 392.484 2.975 0 40 GFAB CCn1cc(CN2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306141169 VMZDFMXSEUMCGU-ICSRJNTNSA-N 383.473 2.918 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390830736 MZVNZHCDKKSYSI-GOSISDBHSA-N 379.428 2.896 0 40 GFAB CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 408620199 KOXRZRKNIIVKAU-UHFFFAOYSA-N 390.505 2.802 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575414619 CVBRERAQEYLIBR-KRWDZBQOSA-N 396.896 2.876 0 40 GFAB Cc1nc(COc2ccc(CN3CCC[C@@H](c4cc[nH]c(=N)n4)C3)cc2)no1 585084539 QFNZFIFLXFMKRI-MRXNPFEDSA-N 380.452 2.539 0 40 GFAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1N1CCCC1=O 585105610 ZSWVDKLVEZLYFO-GJYPPUQNSA-N 398.425 2.734 0 40 GFAB CC(C)c1nc(-c2ccccc2Cl)ncc1C(=O)NCCN1CCOCC1 1615055411 BFCVJGBGKBHKCB-UHFFFAOYSA-N 388.899 2.982 0 40 GFAB O=C(Cc1noc2ccccc12)Nc1ccc2onc(CN3CCOCC3)c2c1 1775970759 QMUIVFDRKRWLOV-UHFFFAOYSA-N 392.415 2.982 0 40 GFAB CN(CC1CCN(S(=O)(=O)C2CC2)CC1)c1cc(C(F)(F)F)ccn1 1888855885 UOBNUIJPYFUASA-UHFFFAOYSA-N 377.432 2.741 0 40 GFAB Cc1csc(C(=O)N2CCC3(CC2)COCCN(CCN2CCCC2)C3)c1 2055803591 OCUJULLAHRMQAA-UHFFFAOYSA-N 391.581 2.707 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc12 19359092 UZXRTMALWMTFRW-UHFFFAOYSA-N 377.444 2.897 0 40 GFAB COc1ccc(OC)c([C@H](C)N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 25053964 WTMMJCMTQPKGMB-NWDGAFQWSA-N 384.436 2.551 0 40 GFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 47502385 LDCAOVUFIKJWBH-AWEZNQCLSA-N 395.337 2.764 0 40 GFAB COc1ccc(CNC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 23125600 INQBISBNOSZYNP-UHFFFAOYSA-N 390.443 2.901 0 40 GFAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 1256341 ATYKUFXGZXQHQD-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB CSCC[C@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)c2ccccc2C1=O 3325982 QKJQPPRPDZIUCI-CQSZACIVSA-N 377.462 2.563 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 3403270 SHNGAQCRTWGVKY-UHFFFAOYSA-N 388.445 2.530 0 40 GFAB COCCCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccncc1 4169272 AOXPQKZTBDKZEB-UHFFFAOYSA-N 399.476 2.813 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CSCN1C(=O)c1ccccc1 55313086 GIZSMMSITKWLNP-MRXNPFEDSA-N 384.457 2.589 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)C[C@H](C)O1 6730638 BDYTZIITBNJYJX-STQMWFEESA-N 380.491 2.798 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc3c(s2)CCCC3)cc1 26107871 UCXSIJUUJHPBHK-UHFFFAOYSA-N 378.519 2.644 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H](C(F)(F)F)C2)n1 12516641 RXWCLHBDMVEYFJ-LLVKDONJSA-N 382.390 2.980 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)NCc2ccccc2Cl)cc1OC 3235559 UWVXDMDYCMAUGW-UHFFFAOYSA-N 393.823 2.839 0 40 GFAB CC1CCN(c2nnc(S[C@H](C(N)=O)C(C)C)n2Cc2ccco2)CC1 58209852 XIISTAQBQXUIHO-HNNXBMFYSA-N 377.514 2.758 0 40 GFAB Cc1ccc(CN(C)C(=O)COC(=O)c2cc(Cl)c3c(c2)OCCO3)o1 27823713 UIGQGRVRQROKBU-UHFFFAOYSA-N 379.796 2.828 0 40 GFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 58390883 RBVYRYOLSUMFKC-INIZCTEOSA-N 395.544 2.788 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 58415761 MEGGCMJFBJSQIK-KRWDZBQOSA-N 384.480 2.560 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(-c2ccco2)s1 48273769 YKPSKFJWGWXORA-UHFFFAOYSA-N 381.417 2.996 0 40 GFAB O=C(CCn1sc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1 36358111 IQJAIFFXZBWTCF-NSHDSACASA-N 376.463 2.795 0 40 GFAB O=C(c1cccc(F)c1)N1CC[C@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745111 BKCNOQRBTUBPDT-ZDUSSCGKSA-N 380.379 2.719 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C[C@@H](C)O1 27969952 YDAYZUZNIGQXMB-BETUJISGSA-N 378.270 2.943 0 40 GFAB Cc1ccc(C)c(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)N(C)C)c1 20244875 OSLWYMAYCVAYIT-UHFFFAOYSA-N 397.447 2.833 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2c(c1)nnn2CC 12887026 IDYVEGGGTBXOMH-UHFFFAOYSA-N 381.436 2.561 0 40 GFAB Cn1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 12822487 CBWLULIBXQHWOB-SFHVURJKSA-N 378.432 2.896 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 12809699 KKNGQOSETFLXEZ-CQSZACIVSA-N 384.307 2.580 0 40 GFAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1F 12864680 LFRPAMUZTUFOFG-NSHDSACASA-N 380.416 2.897 0 40 GFAB CCc1ccc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2cccc(OC)c2)cc1 3445457 PFVSWVQWFFELCU-AWEZNQCLSA-N 384.432 2.558 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCc1nc2ccccc2c(=O)[nH]1 13007500 WWDOESFSKBFSSE-UHFFFAOYSA-N 398.850 2.606 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccccc1 13151692 FMJOKPRBXJEFND-NYUBLWNDSA-N 376.449 2.630 0 40 GFAB Cc1nc(C(=O)Nc2ccccc2N2CCN(C)CC2)nn1-c1ccc(F)cc1 4051231 XWAVOIYITWWOKF-UHFFFAOYSA-N 394.454 2.719 0 40 GFAB O=C(C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccccc1)Nc1ccccc1 4159575 UYBOJUITDWIHJH-HZPDHXFCSA-N 386.473 2.705 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cc(=O)n(C)c4ccccc34)CC2)c1 72402742 TZSNHSKJRXZNBU-UHFFFAOYSA-N 377.444 2.510 0 40 GFAB C[C@H]1CCc2c(sc3ncn(Cc4cc(=O)n5ccsc5n4)c(=O)c23)C1 6110267 AILFHBYARPSGIA-JTQLQIEISA-N 384.486 2.701 0 40 GFAB Cc1ccc(O)c(C(=O)c2cnn(C(=O)Cn3ccc(C(F)(F)F)n3)c2)c1 14138754 WYIAXRHWSIGVTR-UHFFFAOYSA-N 378.310 2.684 0 40 GFAB CN(CCCNC(=O)NCC1(N2CCSCC2)CCCC1)CC(F)(F)F 97438514 UEBQNRKOAZPGEZ-UHFFFAOYSA-N 396.523 2.531 0 40 GFAB Cc1cc2c(cc1S(=O)(=O)N1CCCCc3ccccc31)n(C)c(=O)n2C 6668296 WNUNSDUNFLYZKP-UHFFFAOYSA-N 385.489 2.717 0 40 GFAB COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 26817654 SQAJLAVFEKAKKH-WJFTUGDTSA-N 392.386 2.514 0 40 GFAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCCCc4ccccc4)c3)c2)n1 71768378 QCGMXKWEOLTYDX-UHFFFAOYSA-N 388.431 2.988 0 40 GFAB CC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 15519974 NGDYQJJXGGJGTB-UHFFFAOYSA-N 385.508 2.942 0 40 GFAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cn1 84622038 NTGRVHZCJGPOCE-UHFFFAOYSA-N 388.855 2.711 0 40 GFAB C[C@H](SCCOc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 9690747 QHNJQVFSMROBIW-GOEBONIOSA-N 399.578 2.788 0 40 GFAB O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)N2CCOCC2)cc1 17173185 BRPWGOMSEHHHIS-UHFFFAOYSA-N 381.837 2.527 0 40 GFAB CC(C)CNC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 18798630 JMVJWUFNNDHHRH-OAHLLOKOSA-N 399.491 2.831 0 40 GFAB CC(C)CN1CCC(C(=O)N[C@@H]2CCc3nnc(-c4ccccc4)n3C2)CC1 95998191 ANXRKKBZAYGGSB-LJQANCHMSA-N 381.524 2.744 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)c1C 89702205 MLPOUOFKGUEKSH-IBGZPJMESA-N 391.475 2.935 0 40 GFAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 306123708 AUHTYNJSTFAQRT-UHFFFAOYSA-N 385.487 2.786 0 40 GFAB CCOc1cccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 20458178 IRPSWMBYRFEXRP-UHFFFAOYSA-N 388.489 2.999 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218429687 BXDKZJQBEPJDEQ-JENIJYKNSA-N 393.892 2.849 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCO[C@H](CCc2ccccc2)C1 541676118 SBEWZICKLOVLOD-LJQANCHMSA-N 378.436 2.528 0 40 GFAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218113321 PMPUVYPRDGMXCM-UFYCRDLUSA-N 375.490 2.677 0 40 GFAB O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79476775 SXMDPCLMQVFZHT-ZDUSSCGKSA-N 383.843 2.770 0 40 GFAB COCCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 72400421 YPGRTVSUWJAYCD-UHFFFAOYSA-N 391.471 2.610 0 40 GFAB O=C(CN1CCC(c2ccncc2)CC1)Nc1ccc(N2CCOCC2)cc1 72346589 OJRZYZFGQJNQPU-UHFFFAOYSA-N 380.492 2.736 0 40 GFAB O=C(C[C@@]1(C(=O)O)CC(c2ccc(F)cc2)=NO1)Nc1cccc(C(=O)O)c1 72406142 NKNLCAYRWVXZLU-LJQANCHMSA-N 386.335 2.501 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(C(=O)N3CCOCC3)cc2)C1 43220458 QLBNYISLIGWRAO-GOSISDBHSA-N 390.480 2.937 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224970961 YLTZGIQTSXCYRM-INIZCTEOSA-N 390.505 2.955 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225928837 LYGLDQSAVNWQHO-MRXNPFEDSA-N 390.505 2.810 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 225377681 QOFLUHQBMOHLBO-UHFFFAOYSA-N 393.399 2.757 0 40 GFAB CC(C)C(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 48279102 UNWKFGXHANRTTL-UHFFFAOYSA-N 378.416 2.721 0 40 GFAB CN(c1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1)S(C)(=O)=O 222818745 INDGTTBAJNSTPH-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(F)cc1F 220086914 CHRJXMAGPPQSFP-UHFFFAOYSA-N 388.823 2.701 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 223586819 QANSJXPKBCMETQ-RBUKOAKNSA-N 382.464 2.976 0 40 GFAB CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC2(CC1)OCCc1ccsc12 572931444 PUIJKUBXRBBCKK-QGZVFWFLSA-N 376.522 2.833 0 40 GFAB O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCc2ccccc2C1 77100430 GOUXFXYWTHXUBS-UHFFFAOYSA-N 389.337 2.759 0 40 GFAB Cc1nc(CN2CCOC[C@@]3(CN(Cc4ccc(F)cc4)CCO3)C2)cs1 96049820 PYDBZTCEYOKHES-HXUWFJFHSA-N 391.512 2.694 0 40 GFAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O 96036499 JHJYTCUUOZIUIY-OAQYLSRUSA-N 389.565 2.739 0 40 GFAB O=C(Cc1ccccc1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 96146999 FDPQPZFKACMNEG-UHFFFAOYSA-N 383.517 2.939 0 40 GFAB O=S(=O)(NCc1ccncc1OC[C@@H]1CCOC1)c1cc2ccccc2o1 585083819 XJYYYZRVUOYZDY-CQSZACIVSA-N 388.445 2.722 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(Cc2ccnn2C)no1 585084282 YHGMZLZQZOHXNL-MRXNPFEDSA-N 381.436 2.770 0 40 GFAB Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc(N3C(=O)CCNC3=O)c1)O2 585140090 JSXFREOPRJTZRV-GOSISDBHSA-N 379.416 2.774 0 40 GFAB Cc1ccc(-n2ccn3c(=O)n(Cc4ccc(Cl)cc4)nc3c2=O)cc1C 252498746 RKFWVQGXYMDNEL-UHFFFAOYSA-N 380.835 2.965 0 40 GFAB CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)N1CCC(c2cncc(C)n2)CC1 257270657 MVDGDJFHDUFMOW-NRFANRHFSA-N 384.455 2.536 0 40 GFAB CC(=O)Nc1cccc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)c1 253406104 UEMFPPHQIHNZCJ-UHFFFAOYSA-N 392.444 2.741 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccccc2COC)[C@@H]1c1ccccc1 257291328 QGMMOMJZNJOCSZ-IRLDBZIGSA-N 396.487 2.685 0 40 GFAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(C(=O)CN3CCCC3)CC2)C1 257287750 PRJFFOUREWAOQQ-IBGZPJMESA-N 375.488 2.508 0 40 GFAB CN([C@H](C(=O)NCCSc1ccccc1)c1ccccc1)S(C)(=O)=O 260773040 YYADHRVRRNZCFY-KRWDZBQOSA-N 378.519 2.528 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCO2)N(C)C 96096810 XMFLNAWZDHMRRD-KRWDZBQOSA-N 399.516 2.701 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C 575422590 NLJUPKYSSBTCLD-QGZVFWFLSA-N 379.503 2.686 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H]2CO)C3)cc1F 585104899 WJZJLGLGULKKHW-OALUTQOASA-N 390.499 2.602 0 40 GFAB CN1CCN(C(=O)c2cc(NC(=O)NCc3ccc4occc4c3)ccn2)CC1 685939002 MXKTVYGIEZGVCI-UHFFFAOYSA-N 393.447 2.537 0 40 GFAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1O 72393044 PNSGFJXNSNJSGR-KRWDZBQOSA-N 392.459 2.926 0 40 GFAB COCCn1cc(C(=O)NCc2cccnc2-n2ccnc2)c2ccccc21 57431462 SBILUNBPGZOZNW-UHFFFAOYSA-N 375.432 2.798 0 40 GFAB Cc1ccc(Cc2nn3c(SCC(=O)c4ccccc4)nnc3[nH]c2=O)cc1 5144231 LOCZBRSDOGAUCU-UHFFFAOYSA-N 391.456 2.687 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 16691797 BHPATSCDGSOXQZ-HNNXBMFYSA-N 376.478 2.583 0 40 GFAB CC(C)(C)c1nn2c(=S)n(CC(=O)Nc3ccccc3Cl)nc2[nH]c1=O 16778157 ZIOLLYGPBKWGIC-UHFFFAOYSA-N 392.872 2.538 0 40 GFAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc(C)n4ccsc34)C2)n1 19285851 DWXXJOVZWMPEIR-MLGOLLRUSA-N 386.525 2.955 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H]2c2nc(-c3cccnc3)no2)cc1OC 19560398 LRSJCHSGOYIQHZ-HNNXBMFYSA-N 380.404 2.665 0 40 GFAB O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2nc3ccccc3s2)CC1 19663871 GBSLDYPIOCBWGZ-UHFFFAOYSA-N 390.472 2.839 0 40 GFAB CCOc1c(Cl)cc(-c2noc(CN3CCCC[C@H](O)C3=O)n2)cc1OC 643932864 DUTBMXQNOHJLEN-ZDUSSCGKSA-N 395.843 2.671 0 40 GFAB Cc1ncc(-c2ccccn2)c(CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 19286913 UQZHGJVCQHCUGQ-INIZCTEOSA-N 387.443 2.632 0 40 GFAB CC[C@@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 18133494 IFHDMZKZXSVWRC-HXUWFJFHSA-N 399.466 2.766 0 40 GFAB C[C@H](CNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccccc1 4284946 UAYKHNMTGLYODT-MWTRTKDXSA-N 391.471 2.690 0 40 GFAB Cc1ncnc(N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1F 1888863755 JBPFEIHNSDMVBK-UHFFFAOYSA-N 382.361 2.834 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)COc4ccc(F)cc4)C[C@@H]3C2)nn1 1888888107 KFCMFCHNSKNIHY-HOTGVXAUSA-N 398.482 2.887 0 40 GFAB O=C(COc1cccc(F)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909284 NEIYMUFJOFMPQG-FQEVSTJZSA-N 377.387 2.776 0 40 GFAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)c1F 253471846 GBJKJDKTZLTZQW-SOGBHIHOSA-N 391.468 2.940 0 40 GFAB CSc1nc(C)cc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)n1 2086992565 YOOFMUNOXKMFTC-UHFFFAOYSA-N 379.493 2.686 0 40 GFAB O=C(CSc1ccc(-c2ccncc2)nn1)N1CCN(c2ccccc2)CC1 4272438 KHJINVJVCZIQCT-UHFFFAOYSA-N 391.500 2.980 0 40 GFAB COc1cc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2cc1OC 4518075 RITNERDKAOLOSR-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB O=C(Cc1ccc(F)cc1)Nc1nc(S(=O)(=O)Cc2ccccc2)ns1 8769795 NBCIANIAGQGFGB-UHFFFAOYSA-N 391.449 2.832 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9036657 CQUPNFBJSVDSPF-ZDUSSCGKSA-N 394.880 2.680 0 40 GFAB COc1ccc(N2N=N[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]32)cc1OC 101260752 HAAMMCZJCZLDNF-ROUUACIJSA-N 380.404 2.818 0 40 GFAB COc1ccc(CCNC(=O)N2CCN(CC(=O)c3cccs3)CC2)cc1 36708348 VGZHBYASOSUZKW-UHFFFAOYSA-N 387.505 2.509 0 40 GFAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)Cc1ccc(C(F)(F)F)cc1)CC2 575415702 SQMWZJYKABAGTH-AWEZNQCLSA-N 391.411 2.810 0 40 GFAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575612599 LLNBIGYMWBFOKD-LBPRGKRZSA-N 389.868 2.886 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)NCc3cccnc3-n3cccn3)cc2NC1=O 31228839 HSAHQOJCTRZBSC-LBPRGKRZSA-N 379.445 2.630 0 40 GFAB COC(=O)c1cc(CNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1OC 100675983 DUPQZNRBTTTYMM-KILAXVPQSA-N 387.476 2.819 0 40 GFAB Cc1nc(-c2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cs1 100796399 JZMUKHJXLMDABB-KODHJQJWSA-N 393.468 2.864 0 40 GFAB O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CC[C@@H](N2CC=CC2)C1 101277900 VWQFFCVTAAFTNP-RTBURBONSA-N 375.472 2.665 0 40 GFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4ccccn4)CC3)c2c1 20727401 VPTJXUGMNAAUBN-FQEVSTJZSA-N 380.448 2.515 0 40 GFAB COc1cc(C(=O)NCCNC(=O)c2ccco2)cc(Cl)c1OC(C)C 32908616 QANBCDCQKQPIJW-UHFFFAOYSA-N 380.828 2.889 0 40 GFAB CC(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2cnn(C(C)C)c2n1 22567458 XZBPCYMHQWKDAC-UHFFFAOYSA-N 393.495 2.888 0 40 GFAB Cc1sc2ncn(CC(=O)NCCO[C@H]3CCCC[C@H]3C)c(=O)c2c1C 47188672 CDSMVPLCNMVQNB-DOMZBBRYSA-N 377.510 2.786 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3F)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O 780618 SELLBKADZAKJMX-LJQANCHMSA-N 389.386 2.500 0 40 GFAB aggregator Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3cccc(Cl)c3)C1)CSC2 61721713 XZPCTCLTZKDYMZ-SNVBAGLBSA-N 376.869 2.812 0 40 GFAB CC[C@H]1C(=O)NCCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 78607793 SBBILLPEWPCLEX-HNNXBMFYSA-N 393.896 2.655 0 40 GFAB O=C(CN(C(=O)c1csnn1)c1cccc(F)c1)NCc1ccc(F)cc1 1346803 RCNOUPWAFFJFKK-UHFFFAOYSA-N 388.399 2.780 0 40 GFAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23348050 XGHDUDXIFXTDOP-UHFFFAOYSA-N 399.476 2.878 0 40 GFAB CCc1ccccc1NC(=O)[C@@H](Cc1cc(OC)ccc1OC)c1nnn[nH]1 931791 JTLJWFQDQFGLTA-INIZCTEOSA-N 381.436 2.744 0 40 GFAB CCOc1cc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 4504534 XSIGXXDDSWNLGO-HNNXBMFYSA-N 399.509 2.532 0 40 GFAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3F)CC1)C(=O)C2 1094747 BPXNLJUCFQEUQC-YWZLYKJASA-N 394.512 2.673 0 40 GFAB CC(C)CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 6537683 AZPJPLATDXWEJA-UHFFFAOYSA-N 376.478 2.663 0 40 GFAB CC(=O)N(c1ccccc1)c1nc(CN2CCN(C(=O)C3CC3)CC2)cs1 24001850 FJXAXWVCUOELSH-UHFFFAOYSA-N 384.505 2.882 0 40 GFAB COCCNC(=O)NC(=O)Cn1c(SCCC(C)C)nc2ccccc21 12520351 LXHHPGBBYXNNOW-UHFFFAOYSA-N 378.498 2.647 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1Cl 8092083 KBJCMELVRWHXQZ-UHFFFAOYSA-N 391.779 2.971 0 40 GFAB CCOc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)n1 106706917 AZEKIIUCBLWCIF-UHFFFAOYSA-N 377.448 2.628 0 40 GFAB Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 3266202 VJOFQOLUGKOXCA-UHFFFAOYSA-N 399.907 2.989 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)ccc21 25813328 WBLJOMCGYFAOLJ-SFHVURJKSA-N 384.505 2.819 0 40 GFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC1(c2ccccc2C)CCOCC1 58209776 FWDGAUCTUFMVAZ-DLBZAZTESA-N 375.513 2.646 0 40 GFAB O=C(Nc1cccc2c1CCCC2)C(=O)N1CCN(c2ccccc2O)CC1 84505987 YBRYDKQZOVUHAZ-UHFFFAOYSA-N 379.460 2.558 0 40 GFAB CC[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccccc1 10536132 NVKMAIRWFVWNOM-MRXNPFEDSA-N 393.534 2.519 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)N(C)C)CC1(C)C 95464639 CDWAKUGDRMLZAF-UHFFFAOYSA-N 396.919 2.755 0 40 GFAB COc1ccccc1-c1nc(NC(=O)c2cc(C)nc3c2c(C)nn3C)n[nH]1 48356199 CFWFPRYNWLJGDN-UHFFFAOYSA-N 377.408 2.631 0 40 GFAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc(Cl)ccc1-n1cnnn1 25134136 DSMSPTJJATZNMB-UHFFFAOYSA-N 379.811 2.813 0 40 GFAB Cc1ccc2nc(C)c(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)cc2c1 48354220 AKNQIYQGPLZXPC-UHFFFAOYSA-N 389.503 2.928 0 40 GFAB CCCc1nc2oc3c(N4CCNCC4)ncnc3c2c2c1COC(C)(C)C2 2327479 FBEKILGBHNVWDL-UHFFFAOYSA-N 381.480 2.984 0 40 GFAB COCCOc1cccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 100728582 XIOMBTFKOXGGNQ-OALUTQOASA-N 385.508 2.565 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)c1 12802240 OCLSQTMXFKNTRE-DLBZAZTESA-N 397.562 2.590 0 40 GFAB CC(C)Oc1cccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 113935811 XRAFCSQRVNUJQC-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)c1cccnc1N1CCOCC1 29419289 YBYIYDCCNKXUNW-UHFFFAOYSA-N 382.464 2.565 0 40 GFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1F 12805850 BJKIIFFHJHRMLO-LLVKDONJSA-N 380.416 2.897 0 40 GFAB COC(=O)/C=C1\S[C@H](C)C(=O)N1CC(=O)Nc1ccccc1C(F)(F)F 2626642 MRDYYXPWIWSRCA-VAENJDROSA-N 388.367 2.622 0 40 GFAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 2664083 YFCCGPBWQUKNSL-BQYQJAHWSA-N 396.424 2.898 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1F 62022744 SPBBWQXLTYONSB-OAHLLOKOSA-N 380.427 2.965 0 40 GFAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1C[C@H]1CCCO1 3505354 SZHMDLAVFHWANM-MRXNPFEDSA-N 387.480 2.721 0 40 GFAB c1cc(N2CCOCC2)n2cc([C@H]3CN(CC4CC4)CCN3CC3CC3)nc2c1 306131312 KBHFIFMFOVFVII-OAQYLSRUSA-N 395.551 2.650 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NC1CCCCCC1)O2 64988612 PXCHMTLGLRWQRB-SFHVURJKSA-N 380.510 2.751 0 40 GFAB Cc1cc(C)cc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1 4250577 SXNNEECTSGCPGS-UHFFFAOYSA-N 379.464 2.720 0 40 GFAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)c1c[nH]c2ccccc12 5204432 DIISMCZOLPYTQQ-KGLIPLIRSA-N 380.400 2.924 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 14246040 ZFYOOIGNLNNLNE-ACJLOTCBSA-N 396.399 2.549 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 6650489 CFBBRXZOJKQEPO-NTEUORMPSA-N 393.417 2.530 0 40 GFAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5611006 PLFYXSMYMKMYBX-MRXNPFEDSA-N 378.428 2.938 0 40 GFAB COc1ccc(Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)cc1F 67259978 XQXDOZZXSDBSMV-UHFFFAOYSA-N 399.813 2.886 0 40 GFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@H]1C[C@H]1c1ccco1 95385590 RABMLBOXTGEMGU-KGLIPLIRSA-N 376.434 2.512 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CC2)sc2c1CCCC2 7489310 XYIIATWIASOJKK-UHFFFAOYSA-N 398.484 2.939 0 40 GFAB COCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409025719 ZNXYCRUUEVBTGX-UHFFFAOYSA-N 396.896 2.688 0 40 GFAB Oc1nc(CN2CCN(c3ccccc3)CC2)nc2c1cnn2-c1ccccc1 95352102 NVOJLFBICWHLPR-UHFFFAOYSA-N 386.459 2.843 0 40 GFAB CCC(=O)NCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 68028098 YQOWGHNGACTVSB-HXUWFJFHSA-N 388.489 2.766 0 40 GFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccccc1 7609064 JZPODOMAVKMGGM-UHFFFAOYSA-N 386.517 2.763 0 40 GFAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 7872110 PVSSVIQXNSQTGA-LLVKDONJSA-N 396.852 2.862 0 40 GFAB C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccc(N2CCCC2=O)cc1 68657091 GNGNTIVAPAGSCH-INIZCTEOSA-N 393.491 2.697 0 40 GFAB Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c2ccccc2c1=O 9592668 VPYPUJPNLXCSIG-UHFFFAOYSA-N 396.472 2.615 0 40 GFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc2c(c1)OCO2 9513738 CRJRBVLDCPDSHL-NSHDSACASA-N 379.463 2.833 0 40 GFAB O=C(c1cc2c(F)cccc2s1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9582091 UMUHCWUMAZCYCE-STQMWFEESA-N 397.493 2.849 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)c2cccc(CN3CCOCC3)c2)cc1 20459607 RCTNHNUVBYLWOD-UHFFFAOYSA-N 390.487 2.943 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnnn1C1CCCC1 9607083 ZZXKBUCYOFIBKE-UHFFFAOYSA-N 389.481 2.658 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1c(C)nn(C)c1C 95475108 ACORVAGJWNEJIK-INIZCTEOSA-N 377.470 2.529 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccco3)CC2)cc1 84726788 NMCAYWMMWHFDOP-INIZCTEOSA-N 390.505 2.869 0 40 GFAB CC(C)(C)OC(=O)N1CCN[C@]2(CCN(C(=O)OCc3ccccc3)C2)C1 306145993 YKJPAXIHYKTYKE-FQEVSTJZSA-N 375.469 2.608 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)NCC(C)C 408593816 OIWFHPBTBURVHA-UHFFFAOYSA-N 390.461 2.910 0 40 GFAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)N2N=CNC2=N1 38316116 GYASOAPHFPFWTN-INIZCTEOSA-N 397.822 2.533 0 40 GFAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 528970680 GSEMCCQUWHTYBW-CMYXBHLPSA-N 396.484 2.901 0 40 GFAB CC(C)c1nnc(CNC(=O)c2cn(C)nc2-c2ccc(Cl)s2)n1C 530564519 RDRYSVWHRCLWBI-UHFFFAOYSA-N 378.889 2.984 0 40 GFAB Cc1ccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c(F)c1 32842965 ACSOXOLSGPYSRN-QGZVFWFLSA-N 389.452 2.836 0 40 GFAB CC(C)C(=O)N1CCO[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389019 FWVXPECQJPUCJV-QHCPKHFHSA-N 395.503 2.633 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 30864594 LAXQTDBORBRQFN-INIZCTEOSA-N 390.505 2.955 0 40 GFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1 31810354 WCDZRTHPOAEUOO-QGZVFWFLSA-N 376.844 2.673 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1F)SCC(=O)N2 31809679 GWOLJZHOVDSBON-HNNXBMFYSA-N 395.423 2.761 0 40 GFAB COc1ccc(CN2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)cc1OC 72347318 SFTBYQJCUYLOOX-OAHLLOKOSA-N 398.507 2.724 0 40 GFAB CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCN(C)CC1 226278014 KPFSWSIHTPODLI-UHFFFAOYSA-N 387.402 2.530 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225947833 JKMLBATYEBYWCH-HNAYVOBHSA-N 392.496 2.944 0 40 GFAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N[C@H]1COC[C@H]1n1ccnn1 570980818 BXBOLMAFHLNBRU-QWHCGFSZSA-N 390.856 2.817 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)c(Cl)c2)cc1 224896341 XWHOEJAEPJRENU-UHFFFAOYSA-N 396.852 2.887 0 40 GFAB Nn1c(SCCC(=O)Nc2ccc(Br)cc2)nnc1C1CC1 42128483 RMABGARWACUENI-UHFFFAOYSA-N 382.287 2.753 0 40 GFAB Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccccc3Cl)n2n1 40398388 FTZOMMGZJUQOEA-UHFFFAOYSA-N 382.855 2.630 0 40 GFAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(Cc2ccsc2)CC3)C1=O 97952884 ZVYMVEFKYGZXTA-OAQYLSRUSA-N 391.581 2.531 0 40 GFAB CN1[C@H]2CCN(Cc3ccc(F)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145705 IVTWUWQQVBZKGJ-ROUUACIJSA-N 390.480 2.872 0 40 GFAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]32)C(=O)N1CC1CC1 96261471 RSVNUXIEECWSSN-XQBPLPMBSA-N 380.492 2.647 0 40 GFAB Nc1nc(CN2CCN(c3ccccn3)CC2)nc(Nc2ccc(Cl)cc2)n1 95483251 JBQYOMAORVUETK-UHFFFAOYSA-N 396.886 2.568 0 40 GFAB O=C(NC1CCCC1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143024 COOAXVWHYHWKSF-FQEVSTJZSA-N 389.521 2.654 0 40 GFAB COCc1ncc(CNC(=O)C2(c3cc(F)cc(F)c3)CCCC2)c(N)n1 529407791 IXSOELBEAGXROO-UHFFFAOYSA-N 376.407 2.612 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 253376471 TZMPRXQPKZJYSS-XAMWDVODSA-N 384.476 2.511 0 40 GFAB COc1ccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)cc1OC 254903844 ZKBCOUDEOIAIPD-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB CS(=O)(=O)N1C[C@H](C(=O)NCc2cccc3ccccc23)Oc2ccccc21 260840507 VYAWCBXPNIMURB-HXUWFJFHSA-N 396.468 2.683 0 40 GFAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNC3CC(c4ccncc4)C3)c2)C1 1616030927 HOLYRYXGYPQFQN-ITAUSPCMSA-N 378.520 2.815 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@H](c3ccc(C)cc3)[C@@H]2C(=O)O)c1F 656159911 DQNSUFYHJFTEGE-RDTXWAMCSA-N 393.436 2.774 0 40 GFAB c1coc(Cn2c(Sc3cc(-n4ccnc4)ncn3)nnc2N2CCCC2)c1 607142613 UJLZARRREGYDOS-UHFFFAOYSA-N 394.464 2.647 0 40 GFAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96366745 KOYDQVMEXSYOSC-MRXNPFEDSA-N 397.452 2.872 0 40 GFAB Cc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1cc(F)ccc1F 390827231 VFYQMXXMMVSYKX-UHFFFAOYSA-N 378.404 2.510 0 40 GFAB CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)cc1 390827296 WIKQBTZTRLRPSL-UHFFFAOYSA-N 389.477 2.958 0 40 GFAB O=C1C[C@@]2(COCCN(Cc3cc(F)ccc3F)C2)CN1Cc1cncs1 585103908 VYAFQTQQGCVGDB-IBGZPJMESA-N 393.459 2.672 0 40 GFAB Cc1cnc(Nc2nc(C3CCN(C(=O)CN(C)C)CC3)cn3cccc23)s1 585263327 VSZWYSRIUUODMS-UHFFFAOYSA-N 398.536 3.110 0 40 GFAB CCc1nn(CC(=O)NCc2ccc(OC)cc2)c(=O)c2cc3sccc3n12 5108837 SGIJPLHNBDHLKC-UHFFFAOYSA-N 396.472 2.598 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2C(=O)N3CCCN=C3c3ccccc32)c1 12142780 NWPRXMICLNPJPE-UHFFFAOYSA-N 394.431 2.735 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N[C@H]3CCCc4ccccc43)n2)c(C)o1 12146792 PYSUGHVACNSKLS-IBGZPJMESA-N 392.459 2.896 0 40 GFAB CC[C@H](C(=O)NCCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715136 IDXQVCWPXXUMNK-GOSISDBHSA-N 378.469 2.729 0 40 GFAB COc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1 15357876 RDJSMZYVYHQXOD-UHFFFAOYSA-N 392.296 2.877 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C)cc1C 16692331 UBOVYQDSAVRTBS-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19078503 RPDOHJNRDBCLNW-HOTGVXAUSA-N 398.482 2.777 0 40 GFAB COc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)/C=C/C(=O)O)cc1 2628659 WJXXOGVWGFPWFH-VAWYXSNFSA-N 377.400 2.805 0 40 GFAB Cc1nc(NC(=O)CN2CCC[C@](O)(Cn3cnc4ccccc43)C2)sc1C 12135454 VXJUVOMZCAGKDI-HXUWFJFHSA-N 399.520 2.575 0 40 GFAB CC(=O)N1c2ccc(NC(=O)Cn3cnc4sc(C)cc4c3=O)cc2C[C@H]1C 12204500 GKYCIKFEWHJVHS-LLVKDONJSA-N 396.472 2.703 0 40 GFAB COc1ccc2c(c1)CN(C(C)=O)C[C@]1(CCCN(C[C@H]3CCOC3)CC1)O2 247973010 YYIHRCSCLJKSPA-XMSQKQJNSA-N 388.508 2.697 0 40 GFAB Cc1cc(NC(=O)NCCN2C(=O)c3ccccc3C2=O)cnc1C(F)(F)F 1663376520 KGJZQPBOPKWSPO-UHFFFAOYSA-N 392.337 2.827 0 40 GFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2CC=CCC2)c(=O)[nH]c1=O 6851899 ODZGTGFBDRESGU-QGZVFWFLSA-N 396.491 2.808 0 40 GFAB COCCN1CC[C@@]2(CCCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)C1=O 1565554705 DWOMQGVTVWHIHC-SFHVURJKSA-N 399.413 2.592 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@H]21 1565554529 UNMWHKABKGHRJC-KBAYOESNSA-N 387.867 2.966 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(Cl)cc1 7459156 ARQMUVAKZWZTDZ-UHFFFAOYSA-N 387.798 2.964 0 40 GFAB CC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851611 ZHOUVHOAMFMHNA-LJQANCHMSA-N 385.439 2.554 0 40 GFAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2nsnc2c1 206842392 GAZPYXMKTYBKBO-CQSZACIVSA-N 393.428 2.980 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9036625 KSYIXOZQGLKOIB-AWEZNQCLSA-N 378.881 2.980 0 40 GFAB O=C(c1ccc(Br)o1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365626 XUHOMUXUJSDPKH-GFCCVEGCSA-N 384.251 2.731 0 40 GFAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccnc(N2CCOCC2)c1 40120930 ONTDYMNFAOCTRJ-UHFFFAOYSA-N 395.381 2.676 0 40 GFAB COc1cccc(C(=O)OCC(=O)NCc2ccccc2Br)c1 51356720 XVMOSBPBDBSPFS-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB CN(C)C(=O)c1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 21138215 VAEFKQAADQGEHT-UHFFFAOYSA-N 381.432 2.533 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 32901832 XTBJWDFPCUENQC-QGZVFWFLSA-N 394.427 2.907 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)OCc2cnn(-c3ccccc3)c2)cc1 22132427 TUTKWZJBMUFKGO-UHFFFAOYSA-N 399.472 2.593 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)c3ccc(N4CCOCC4)nc3)o2)cs1 22136946 NEPWRVCFOFPPJT-UHFFFAOYSA-N 384.461 2.873 0 40 GFAB CC(C)CN1CCN(CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)CC1 22918594 OWUIEDQTEAYIDI-JOCHJYFZSA-N 386.540 2.808 0 40 GFAB C[C@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 78534401 NRYHIONIPONFPW-YOEHRIQHSA-N 375.538 2.501 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1C[C@H]1CCCO1 1361224 IGZLUNDDGGMFQQ-CQSZACIVSA-N 376.482 2.740 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3N)n2C)cc1 1364462 LPXGREBDAHJQMR-UHFFFAOYSA-N 396.476 2.754 0 40 GFAB CCOCCOCc1cccc(CNC(=O)CCc2nc([C@H](C)OC)no2)c1 79018158 YKXFHYPYLWSRPZ-HNNXBMFYSA-N 391.468 2.579 0 40 GFAB O=C(CCCOc1ccccc1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23324713 OCWJWPOGIPHYJL-UHFFFAOYSA-N 397.475 2.755 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178472 MEISGGRGEXCWQU-UHFFFAOYSA-N 391.471 2.826 0 40 GFAB COc1ccccc1-n1c(SCC(N)=O)nc2sc3c(c2c1=O)CCC3 1261282 IPBUDDGQGBXFRY-UHFFFAOYSA-N 387.486 2.522 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCC1 6746768 DJYKBYCMIDUIAN-DAYGRLMNSA-N 392.521 2.788 0 40 GFAB CC(C)c1nccn1CC1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 62129985 FHRFLCTYKWTDNS-UHFFFAOYSA-N 393.491 2.655 0 40 GFAB CCCCc1nn2c(=O)cc(COC(=O)c3ccc4c(c3)OCO4)nc2s1 8605660 LLDKQIYFXVTAPL-UHFFFAOYSA-N 387.417 2.579 0 40 GFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 8941624 AYSZCDSNTXBHKG-PRXAMGSTSA-N 389.418 2.677 0 40 GFAB O=C(OCc1cc(=O)n2ccccc2n1)c1cnn(Cc2ccccc2Cl)c1 26244506 XYWCFAJMYJOVDT-UHFFFAOYSA-N 394.818 2.950 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(C[C@@H]1CCCO1)[C@H]1CCSC1 108141050 NJCXSYULYIWQIH-ROUUACIJSA-N 378.538 2.640 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN12 101318828 WRRUROFEEKQBIT-YRXWBPOGSA-N 378.403 2.661 0 40 GFAB CCCCc1nc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)s1 48285735 HEKKXVLTQQHJQR-UHFFFAOYSA-N 395.550 2.974 0 40 GFAB O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 28325489 XQVZXRIVFMITMQ-GFCCVEGCSA-N 396.818 2.791 0 40 GFAB Cc1c(NC(=O)c2cc3occc3n2Cc2ccccc2)c(C(N)=O)nn1C 36359961 LBEDVJYWPZKSDQ-UHFFFAOYSA-N 377.404 2.676 0 40 GFAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCSCC1 2315204 OUHKRVCDQBRHCR-SNVBAGLBSA-N 381.885 2.984 0 40 GFAB COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(C(=O)OC)cc1 59227904 VQZTZELZCGRKQN-SFHVURJKSA-N 390.399 2.664 0 40 GFAB O=C(c1cc(F)cc(F)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11002952 ATTNGEKNISZAFO-UHFFFAOYSA-N 398.406 2.641 0 40 GFAB O=C(Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1)c1ccco1 11146971 PYBZRBWGECIPNV-MRXNPFEDSA-N 395.459 2.939 0 40 GFAB NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 2461029 LYLCVEYYSHAARU-UHFFFAOYSA-N 398.462 2.952 0 40 GFAB CCn1c(Sc2nc3cc(C)nn3c3ccccc23)nnc1N1CCOCC1 45725900 LJYYYOWWFROBJA-UHFFFAOYSA-N 395.492 2.790 0 40 GFAB COc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 22388044 UCMQKMWNVSSUHF-UHFFFAOYSA-N 385.489 2.654 0 40 GFAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NC1CCCC1 3482495 PHUHKZWOXNGKPP-UHFFFAOYSA-N 392.411 2.703 0 40 GFAB CSc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)cc1 12989645 JARIBBMHEFKVPS-UHFFFAOYSA-N 395.366 2.949 0 40 GFAB CNc1nc(N2CCN(CCc3ccccc3)CC2)ncc1Br 96011487 LNXXKQOAICNZCG-UHFFFAOYSA-N 376.302 2.646 0 40 GFAB COc1cccc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)n1 96001927 MJIYBIUBJLKDCC-HNNXBMFYSA-N 382.424 2.631 0 40 GFAB COc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)cc2c1OCCO2 13257751 MIVPUKFUPLFFFO-AWEZNQCLSA-N 375.352 2.551 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 13427564 IXMSUSZGWRURMA-QGZVFWFLSA-N 382.420 2.967 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 5002442 RECNOXNFXUJXRT-AWEZNQCLSA-N 390.461 2.825 0 40 GFAB COc1ccc(C(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)c(OC)c1 5183077 SMCZRKBWAHIYIN-UHFFFAOYSA-N 385.445 2.632 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261680 QJAZFGRAUQLZIN-ZBFHGGJFSA-N 397.566 2.653 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 14183154 DBUMRWWLXIVGSM-IAGOWNOFSA-N 378.538 2.900 0 40 GFAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 4514086 GLIUVQSERMTIBE-HXUWFJFHSA-N 375.444 2.631 0 40 GFAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 9483588 XGSHSUNZQRUTAY-AWEZNQCLSA-N 389.502 2.621 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 6730639 BDYTZIITBNJYJX-CHWSQXEVSA-N 380.491 2.798 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N1N=CC[C@]1(O)C(F)(F)F 6921132 NJWKRIIOCMNGGE-LDWIPMOCSA-N 392.687 2.894 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccccc2)cc1 4983196 GEXPBIQKJXWEEV-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2)c1C 67323523 BUXBABHNXHERDK-UHFFFAOYSA-N 379.420 2.795 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)OCc1cn2cc(Cl)ccc2n1 7121980 LXCJVUCBSBGTBO-UHFFFAOYSA-N 385.807 2.847 0 40 GFAB COc1ccc(CNc2nc(C(=O)NCc3nnc4ccccn34)cs2)cc1 95476187 XXWGJASNQSGUBQ-UHFFFAOYSA-N 394.460 2.737 0 40 GFAB C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)c1c[nH]c2ccccc12 7818411 XEUUABXDPWOTDD-UGSOOPFHSA-N 379.416 2.562 0 40 GFAB COc1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc2c1OCCO2 7939181 TXXSNXAZMVPTIX-KRWDZBQOSA-N 397.427 2.817 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 30940082 NMSXYHDCZZGGHV-UHFFFAOYSA-N 392.459 2.868 0 40 GFAB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 113968250 FCRRKZXPWNTZNP-QGZVFWFLSA-N 378.469 2.995 0 40 GFAB CN1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464379 SNKURHNNGYZEQR-KBPBESRZSA-N 386.452 2.763 0 40 GFAB biogenic,in-vitro CS(=O)(=O)NC1(CNC(=O)N2CC[C@@H](C3CCCCC3)C2)CCCCC1 1563597596 PSVQSXKEELLZKU-QGZVFWFLSA-N 385.574 2.850 0 40 GFAB CC(C)c1ccc(CN2C[C@@H]3CCn4c(C(=O)NC5CC5)nnc4[C@H]3C2)cc1 306140555 UXELOJHQQSGGEJ-HKUYNNGSSA-N 379.508 2.913 0 40 GFAB COc1cc2c(cc1CN1CCc3nnc([C@H]4CCCCN4)n3CC1)CCC2 72372827 CPDXJQCAHUAOFK-LJQANCHMSA-N 381.524 2.648 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCCC2)ccc1Cl 222536818 DUCWLIWVAVDGBW-UHFFFAOYSA-N 388.917 2.671 0 40 GFAB O=C(O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 224674768 WJBYWDPNWXVALR-UHFFFAOYSA-N 388.214 2.868 0 40 GFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 224706235 FTQBVHUANBVSLZ-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(C)=O)cc1OC 223255880 VRJDGXAQGBTTPE-UHFFFAOYSA-N 395.433 2.724 0 40 GFAB O=C(Cc1csc(-c2nc[nH]n2)n1)N1CCC[C@H]1COc1ccc(F)cc1 585080161 WIBWOIHQWHYGQW-AWEZNQCLSA-N 387.440 2.680 0 40 GFAB COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(NC(C)=O)cc2)COC1 96112681 DQHJAYHPJXNIDF-KRWDZBQOSA-N 380.448 2.864 0 40 GFAB biogenic,in-vitro O=C(c1cscn1)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 97546963 TYNATRVBGCUOMJ-UHFFFAOYSA-N 389.506 2.645 0 40 GFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)Nc1ccc3c(c1)OCO3)C2 90609703 PNSIUTFLTCNHII-NSHDSACASA-N 387.461 2.630 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(Cn2cnc3ccccc32)CC1 25748496 GMJVAQUQNMAWDS-XNTDXEJSSA-N 382.489 2.612 0 40 GFAB CCOc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)ccc1OCCO 257241267 HXJLJHBXZUGQBF-JRBPQWBISA-N 377.481 2.981 0 40 GFAB CC(C)OC1CC(NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 1615582266 HCPDERQBTKLNEO-OTTFEQOBSA-N 391.295 2.988 0 40 GFAB O=C(N1CC[C@@H](N2CC[C@@H](O)C2)C1)C1(c2cccc(OC(F)(F)F)c2)CCC1 627270676 KZMAKYIXYSVZIN-HZPDHXFCSA-N 398.425 2.674 0 40 GFAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cccc(-c2cccc(Cl)c2)c1 667051498 HGNZJVVEFPKYQS-IAGOWNOFSA-N 394.880 2.941 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C 575422589 NLJUPKYSSBTCLD-KRWDZBQOSA-N 379.503 2.686 0 40 GFAB COc1ccc(-c2nnc(S)n2CC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 58438867 YBRCWKCUJUTSRQ-OAHLLOKOSA-N 398.492 2.719 0 40 GFAB O=C(Cc1ccccc1Cl)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775974168 CJJMQHYMOISOHW-UHFFFAOYSA-N 380.835 2.585 0 40 GFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCc3nc4ccccc4n3C)C2)n1 5986706 ONGLQRHKGQJSQF-MRXNPFEDSA-N 378.480 2.513 0 40 GFAB CCc1c(C)sc2ncn(C3CCN(C(=O)[C@@H]4CCCO4)CC3)c(=O)c12 12145457 UYZHFIKEBXGGDG-HNNXBMFYSA-N 375.494 2.671 0 40 GFAB Cn1ncc2c1CCc1sc(N(C[C@@H]3CCCO3)C(=O)c3ccncc3)nc1-2 12146106 ULUCSNILRWIFEA-AWEZNQCLSA-N 395.488 2.863 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1 12775724 RQMBIHFYYKGHJH-INIZCTEOSA-N 395.459 2.596 0 40 GFAB CC(C)c1nn2c(=O)cc(COC(=O)COc3ccc(F)cc3)nc2s1 15733990 AXWIIIDIVXMHGL-UHFFFAOYSA-N 377.397 2.536 0 40 GFAB COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)c1 19017369 GXVNDVNCQRZPPS-FQEVSTJZSA-N 394.475 2.757 0 40 GFAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cccnc2)C1 19695762 UCRRHPSMZMSOLH-JOCHJYFZSA-N 376.460 2.917 0 40 GFAB CN1CCC(c2nnc3n2CCN(C(=O)c2ccc4c(c2)CCCC4)CC3)CC1 19708985 QLVCSEASPZKJQA-UHFFFAOYSA-N 393.535 2.665 0 40 GFAB Cn1c([C@@H]2CCCN(C(=O)CCCNc3ncccn3)C2)nc2ccccc21 19716369 NRRKXZYOXDWSER-MRXNPFEDSA-N 378.480 2.962 0 40 GFAB C[C@H](Nc1nc([C@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1)c1cccnc1 19717543 CWLBIJXLDWJTNB-KBPBESRZSA-N 388.431 2.657 0 40 GFAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCCCO2 12366193 ICUIKSSJANPUBM-IBGZPJMESA-N 396.487 2.742 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](OC)c1cc2ccccc2o1 244969187 HCYVXNQCNAKZJK-LJQANCHMSA-N 382.416 2.562 0 40 GFAB CC(C)n1nccc1NC(=O)CN1CCC[C@](O)(COc2ccccc2)CC1 2037916199 USSVVVVUDCJFDN-OAQYLSRUSA-N 386.496 2.699 0 40 GFAB O=C(CN1C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccccc21)N1CCCC1 6806610 QYAWGXXTGREKAJ-LJQANCHMSA-N 398.484 2.561 0 40 GFAB CSc1ncccc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220872630 YJFGQQRLNLBXGV-CYBMUJFWSA-N 396.476 2.738 0 40 GFAB Cc1cc(Cl)ccc1Nc1nc(NCCN2CCOCC2)nc2nccnc12 13010899 MCDZLOHGOWAJDN-UHFFFAOYSA-N 399.886 2.869 0 40 GFAB COc1cccc(COCC(=O)N2CCN(C)c3nc4ccccc4nc32)c1 40132394 COSRWUNNHWGMDS-UHFFFAOYSA-N 378.432 2.638 0 40 GFAB COc1cccc(NC(=O)CSc2ccc3nnc(C(F)(F)F)n3n2)c1 40268532 QEXBCYIDGVHLPA-UHFFFAOYSA-N 383.355 2.883 0 40 GFAB CC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1 20735025 HPOPUUBWPBSJFI-UHFFFAOYSA-N 386.209 2.880 0 40 GFAB CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@@H]1CC 32805945 SMGJHXKGSMWLCJ-OAHLLOKOSA-N 395.887 2.559 0 40 GFAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)N2CCOCC2)cc1 22511885 ZTTTULVBHXLXTE-UHFFFAOYSA-N 390.842 2.810 0 40 GFAB CSCc1nnc(SCC(=O)NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)o1 104239757 CYVRJBCSGCTHLB-FIQHERPVSA-N 384.527 2.675 0 40 GFAB CC(C)NC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 1366234 GTRDTYUPELBYSN-UHFFFAOYSA-N 394.298 2.896 0 40 GFAB COc1ccc(CCNC(=O)c2ccc3nnc(C(F)F)n3c2)cc1OC 79106032 WWROSSLKYMFJFQ-UHFFFAOYSA-N 376.363 2.657 0 40 GFAB CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 1867201 NRTQVZFIBXBQIA-UHFFFAOYSA-N 390.553 2.994 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)N2CCOCC2)cc1 23762428 VYPGRZKTMIUBCH-LJQANCHMSA-N 399.491 2.646 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)c1 4852040 NKNOUWDUZQKYQB-LBPRGKRZSA-N 393.399 2.532 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)CN2c3ccccc3CC[C@H]2C)c1 7217369 OCUKYCQIIWSKBQ-MRXNPFEDSA-N 381.476 2.933 0 40 GFAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(CNC(=O)NC(C)C)cc2)CC1 24754705 ISUVSZBQPQPLAH-MRXNPFEDSA-N 389.496 2.698 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)cc1 10274233 NYCPPKMMIQLQFB-UHFFFAOYSA-N 386.429 2.814 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 10448645 WCUYXBMRDUCTGL-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB C[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc(S(N)(=O)=O)cc1 8038755 GDOSYSBYCCGOGT-CYBMUJFWSA-N 390.530 2.792 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2sccc2c1=O 25570185 WFEVJHHZINVSGW-UHFFFAOYSA-N 379.388 2.718 0 40 GFAB Nc1nc(CN2CCO[C@@H](c3ccccc3)C2)nc(Nc2ccc(F)cc2)n1 25948650 QYAOAUDMGBEVJN-QGZVFWFLSA-N 380.427 2.910 0 40 GFAB Cc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)ccc1F 26054384 NSEUWGAYFVDHIV-UHFFFAOYSA-N 384.860 2.968 0 40 GFAB Cc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 56299126 MNTPXGKUAMJLOO-UHFFFAOYSA-N 381.476 2.709 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)CSCC(=O)Nc2cc(C)on2)cc1 58223254 IOIKZTJLNVILPC-ZDUSSCGKSA-N 377.466 2.547 0 40 GFAB O=C(O)c1ccc(CN2C(=O)S[C@H](Nc3ccccc3C(=O)O)C2=O)cc1 2231418 LNQKDBPDTQLLRV-AWEZNQCLSA-N 386.385 2.717 0 40 GFAB COc1ccc(C(=O)CSc2nc3sccc3c(=O)n2C)cc1OC 28625296 AMIPUXFTEJWUDA-UHFFFAOYSA-N 376.459 2.987 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 20491201 QFQFMYMUIUKQKZ-CQSZACIVSA-N 394.468 2.695 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1ccccc1OC 45825929 CUHPBWAOKYDSJW-UHFFFAOYSA-N 398.459 2.886 0 40 GFAB O=c1c2ccccc2nc(SCCN2CCOCC2)n1-c1ccc(F)cc1 20097867 SVOFPADURWPHNO-UHFFFAOYSA-N 385.464 2.949 0 40 GFAB COc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1OCc1cscn1 95969449 GOYUFKVTDMHKSE-UHFFFAOYSA-N 376.434 2.668 0 40 GFAB CC(C)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)[C@H]1C[C@H]1C)CC3 100233741 PGMLGMNKSOIYRD-VCBZYWHSSA-N 397.523 2.911 0 40 GFAB CCOc1ccc(CN(CC)C(=O)CCc2c(C)nc(C)[nH]c2=O)cc1OC 13010518 QPAHSBFANHQDGF-UHFFFAOYSA-N 387.480 2.775 0 40 GFAB CC(C)(C)C(=O)N(CCS(=O)(=O)Nc1ccccc1)Cc1ccccn1 13691492 QAZMIZIQQSWSKI-UHFFFAOYSA-N 375.494 2.898 0 40 GFAB C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(N2CCCNC2=O)c1 95456682 LQVYJVHVZDZIPE-KRWDZBQOSA-N 378.476 2.957 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1OC 113957058 DYNKITNDRIDMQY-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB CC(=O)N1C[C@H](C(=O)NCc2ccccc2CN2CCCC2)Oc2ccccc21 8343154 IASVYDALQYBFNZ-JOCHJYFZSA-N 393.487 2.713 0 40 GFAB CCCCCCn1c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=O 17194671 XDMUQFJGTSLWGY-SFHVURJKSA-N 382.464 2.539 0 40 GFAB biogenic CC(C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 8941395 FJHXZNYBOGHONZ-CQSZACIVSA-N 389.315 2.517 0 40 GFAB COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2O1 9739900 YJFAJHQSJSUWEW-INIZCTEOSA-N 392.358 2.667 0 40 GFAB COc1ccc([C@H](O)[C@H]2CCCN2C(=O)c2cnn(-c3ccccc3)n2)cc1 89438805 OSOVTJUUZPQSMV-UXHICEINSA-N 378.432 2.614 0 40 GFAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 84147679 JCGAEUBAKVVZHD-XJKSGUPXSA-N 383.370 2.717 0 40 GFAB O=C(Nc1ccnn1Cc1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 89840905 RKTADJDPXHLUJQ-QGZVFWFLSA-N 376.416 2.510 0 40 GFAB Cc1ccsc1C(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccco3)n12 306135954 PFCQEFJFIUKXCQ-UHFFFAOYSA-N 397.504 2.985 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccccn2)CC1 21759938 LDQAIOZVAYGCHI-UHFFFAOYSA-N 385.411 2.607 0 40 GFAB CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 35425761 SFWIWXHMMSLTMT-KRWDZBQOSA-N 379.468 2.548 0 40 GFAB biogenic,in-vitro Cn1nccc1[C@@H]1CN(C(=O)C2CC2)C[C@]12CCCN(Cc1ccccc1)C2=O 306124253 BKRTZMGUNNENJR-WMZHIEFXSA-N 392.503 2.565 0 40 GFAB Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)nn1-c1ccc(F)cc1 539724628 QDPQTLRBEKLVDC-UHFFFAOYSA-N 378.367 2.547 0 40 GFAB COCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)ccc2[nH]1 44902308 YGBNFGSJMWQUAZ-GFCCVEGCSA-N 382.395 2.840 0 40 GFAB Cn1c(=O)/c(=C/c2c(Cl)cccc2Cl)s/c1=C\C(=O)c1ccco1 48235939 FSCZXOJZCCKKMQ-SRKDFGFSSA-N 380.252 2.839 0 40 GFAB O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1cnccn1 223291158 LTBNIVOGDSGUEM-UHFFFAOYSA-N 379.247 2.818 0 40 GFAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)cc(C(=O)OC)c1 41751220 HZJAPKYSLNLPRW-UHFFFAOYSA-N 397.427 2.947 0 40 GFAB COc1cc(NC(=O)c2c[nH]c3c(OC)cccc3c2=O)cc(OC)c1OC 44916560 RCLVIGRBYSQPJB-UHFFFAOYSA-N 384.388 2.815 0 40 GFAB CCN(CC)C(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224436024 FEBGBMYKIPXRPZ-UHFFFAOYSA-N 390.505 2.998 0 40 GFAB Cc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 44900480 XQDNBDAETQXFRE-UHFFFAOYSA-N 389.521 2.600 0 40 GFAB NC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 580190658 FZXPMWWTGQPITO-QRQLOZEOSA-N 379.504 2.936 0 40 GFAB CCS(=O)(=O)NC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 585084623 QXTIGWYCOWSHDF-UHFFFAOYSA-N 389.521 2.564 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)N(C)C 257291912 QJEZIRDDDMQOBW-QGZVFWFLSA-N 398.482 2.883 0 40 GFAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1N1CCN(c2ccccc2)CC1 256048900 WYJFXMLZVUIEKA-UHFFFAOYSA-N 383.839 2.946 0 40 GFAB CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C)cc2)CC1 1121775912 MROWPHYYKDKYGT-HNNXBMFYSA-N 389.525 2.510 0 40 GFAB Cc1nc(N2CCOCC2)ccc1NC(=O)N1CCN(c2cccc(F)c2)CC1 639841885 ZNNKEWYFFBHXGV-UHFFFAOYSA-N 399.470 2.720 0 40 GFAB CC(C)[C@@H](NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nnc2ccccn12 663177965 BRYIXFREKYWQTP-QGZVFWFLSA-N 381.484 2.944 0 40 GFAB CC(C)C(=O)N1CCC(C(=O)NC2(c3cccc(F)c3)CCOCC2)CC1 81367333 AAWZNFUYWWCSMC-UHFFFAOYSA-N 376.472 2.842 0 40 GFAB C[C@@H]1CCn2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)nc2C1 636447306 SLSYTZQISGOURP-SNVBAGLBSA-N 390.490 2.731 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 5934322 PIQMDWRRGGBYFY-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)c(OC)c1 12328288 CPEISBDULZCQQH-INIZCTEOSA-N 394.479 2.665 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2Cl)cc1 12765610 RQIWCQQMVJMYGH-UHFFFAOYSA-N 398.843 2.941 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 14200838 JSNHWTHRBCNCBL-CXAGYDPISA-N 376.478 2.926 0 40 GFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 18255359 NCBMYTSFKJNSSQ-RVKKMQEKSA-N 394.475 2.792 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc1O2 19016350 UYADRPWLWSIANI-UHFFFAOYSA-N 394.475 2.671 0 40 GFAB COc1ccc([C@H](C)NC(=O)C[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1F 19458630 NOPGOCKHDJIZBZ-BLLLJJGKSA-N 391.443 2.655 0 40 GFAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccno2)C1 19591636 MVKCDBAJFRXTKE-JOCHJYFZSA-N 390.443 2.558 0 40 GFAB CC(C)c1ccc(CN2CCC(N3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cc1 19699477 VWQITHUHPGCJGP-UHFFFAOYSA-N 398.551 2.791 0 40 GFAB C[C@@H](c1cc(=O)[nH]c(NCc2cccc(F)c2)n1)n1ncc2ccccc2c1=O 19717427 BUBDICUKCUCNAI-ZDUSSCGKSA-N 391.406 2.840 0 40 GFAB COc1ccc(CC(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)cc1OC 12366107 ZRMCCWAJZZPGAQ-GOSISDBHSA-N 384.476 2.598 0 40 GFAB N[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ncccc31)C2)c1ccccc1 247755054 VYOVRGJYLSQEMX-BBTUJRGHSA-N 390.487 2.621 0 40 GFAB COc1cc2c(cc1CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C1)OCO2 19237708 ZNXHTLRVNAGQQT-JIGPKXGUSA-N 382.460 2.857 0 40 GFAB CN1CCN(CCNc2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 19590047 QCUZSHJYCKMKEI-UHFFFAOYSA-N 386.550 2.988 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)cn1 1888904008 NYFDXYGCIVDSKV-MRXNPFEDSA-N 375.432 2.783 0 40 GFAB COc1ccc(NC(C)=O)cc1Nc1ncnc2c1ncn2C[C@@H]1CCCO1 1888918059 LAFOASIDHSTCHO-AWEZNQCLSA-N 382.424 2.716 0 40 GFAB C[C@H](NC(=O)C(=O)NCCc1ccc(-c2cnn(C)c2)cc1)c1ccccc1 1889271553 FSQZHJABWQVRJE-INIZCTEOSA-N 376.460 2.623 0 40 GFAB CCOc1ccccc1C(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 10251414 ODPLUZWIOIYHMW-UHFFFAOYSA-N 389.415 2.673 0 40 GFAB CCN(CC)C(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1 11695790 RTORQNDMKLFCQI-UHFFFAOYSA-N 375.904 2.516 0 40 GFAB O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)NCCc1c[nH]c2ccccc12 21880486 WFPRAIYNCDSWOD-UHFFFAOYSA-N 396.472 2.629 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)cn1C 1775967327 MNSQIKCTGUBNMO-GFCCVEGCSA-N 395.506 2.877 0 40 GFAB O=S(=O)(c1cccc2cccnc12)N1CCCN(C2CCSCC2)CC1 575617047 WBJDZOIGKNIPMW-UHFFFAOYSA-N 391.562 2.827 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCCN5)ncc4C3)ccc2O1 19497965 DTBKCMZUXJFLSG-AUUYWEPGSA-N 378.476 2.813 0 40 GFAB C[C@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1cc(F)ccc1F 40091447 XRRJKJSDZSFWST-ZDUSSCGKSA-N 376.407 2.757 0 40 GFAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 40059269 CCKOTYJCOWTUHJ-NRFANRHFSA-N 386.496 2.972 0 40 GFAB COc1cccc2c1N(C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)CCC2 40146632 GMUYLMUMLSYVPY-ZDUSSCGKSA-N 377.437 2.976 0 40 GFAB Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)nc2n1 40131386 NEALKSYGNFUKEQ-HXUWFJFHSA-N 395.463 2.568 0 40 GFAB CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@@H]([C@@H]34)[C@@]12C 40379846 GXBMHMVGIRRPBD-XTVZKPICSA-N 388.460 2.970 0 40 GFAB biogenic CN(CC(=O)Nc1ccccc1OC(F)F)C[C@@H]1COc2ccccc2O1 31183590 SFGKNXLNDNEXJR-CYBMUJFWSA-N 378.375 2.998 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20456956 XLUQJIZBVZEFJP-INIZCTEOSA-N 380.853 2.814 0 40 GFAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1OC 20734531 BJMFYMUCKWWNGA-LAUBAEHRSA-N 382.460 2.582 0 40 GFAB biogenic COc1cc2c(cc1OC)-c1c(c(C(=O)NCCCO)nn1-c1ccccc1)C2 20718525 RNXOOPWRZVBZBL-UHFFFAOYSA-N 393.443 2.573 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 102527408 UCAOFAKCXGFBFM-PXNSSMCTSA-N 398.528 2.654 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 32967394 PXASUTKJCIXQEK-IRXDYDNUSA-N 392.883 2.743 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCCOC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773065 ITRABGNFBXAZOA-SNTCSEMISA-N 397.471 2.937 0 40 GFAB CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1ccccc1SC 33478997 XNUWSUJKQCZIIL-XNTDXEJSSA-N 381.475 2.545 0 40 GFAB O=C(NCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801538 QEEKAHKIEQSQQM-SFHVURJKSA-N 392.908 2.852 0 40 GFAB CCOc1ccccc1-n1c(COc2ccccc2)nnc1SCC(N)=O 904754 OLJBKTPREWYZLQ-UHFFFAOYSA-N 384.461 2.822 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 23183637 HUZOARSGTHWOGC-PXNSSMCTSA-N 382.460 2.739 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(F)c3)C2)cc1 1363327 PPVPCZVQTCXJOR-CQSZACIVSA-N 392.452 2.874 0 40 GFAB COc1ccc(CNC(=O)Cn2c(C)cc(O)cc2=O)cc1OC1CCCC1 79056550 IMHVHOSLWJQSBG-UHFFFAOYSA-N 386.448 2.509 0 40 GFAB CCOC(=O)CC(=O)N(c1ccc(OC)cc1)[C@H](C(=O)OC)c1ccccc1 1608285 GEFRHGMRFDDGEJ-FQEVSTJZSA-N 385.416 2.896 0 40 GFAB COc1cc(OC)cc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)c1 79480258 WYMZERGIWYPSPK-UHFFFAOYSA-N 376.829 2.924 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1C(C)C 4856015 ILZLJNGWYMGNRJ-UHFFFAOYSA-N 377.514 2.845 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885439 UREIKWXMKSDHRU-ULMVMLMRSA-N 384.457 2.520 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 24085626 VSKIHRSBMQLIDN-UHFFFAOYSA-N 387.480 2.607 0 40 GFAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccc2)CC1 57756268 GJBKIHOTVQXWAC-QGZVFWFLSA-N 381.476 2.997 0 40 GFAB COC(=O)c1sc(NC(=O)Cc2ccc(OC)cc2)c(C(=O)OC)c1C 1412649 MZNWJWJEAGXIEI-UHFFFAOYSA-N 377.418 2.820 0 40 GFAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCCc2ccccc21 25316201 BBHMPFGISSXOBC-UHFFFAOYSA-N 375.428 2.915 0 40 GFAB CN(C)C(=O)c1cccc(S(=O)(=O)NCCSCc2ccccc2)c1 55978203 KVPUPFADFIUSKM-UHFFFAOYSA-N 378.519 2.600 0 40 GFAB COC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 107496276 VAJSNIUHAUKOTE-QLFBSQMISA-N 393.459 2.856 0 40 GFAB C[C@@H](C(=O)NCCSc1ccc(Cl)cc1)n1nnc2ccccc2c1=O 71285312 WEFHGBABNAGWDG-LBPRGKRZSA-N 388.880 2.914 0 40 GFAB O=C(CCn1cnc2sccc2c1=O)N1CCCN(Cc2ccccc2)CC1 26357859 UZZXRBYUIRQTKU-UHFFFAOYSA-N 396.516 2.583 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100774881 TZMPRXQPKZJYSS-CPLUKWAASA-N 384.476 2.511 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(F)cccc2F)c1 26528746 PMCAKYIJFLSFFM-UHFFFAOYSA-N 381.809 2.823 0 40 GFAB Cn1ncc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1N 95465147 GVQOARVJFDQEEA-UHFFFAOYSA-N 399.495 2.828 0 40 GFAB Cn1cc(C(=O)NCC2CCN(C(=O)Nc3ccccc3Cl)CC2)cn1 58216277 BLFXKXKJIGWGCV-UHFFFAOYSA-N 375.860 2.747 0 40 GFAB CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H](Sc2ccccc2)C(C)C)CC1 58297845 QJZNXRXGZAMMJR-PXNSSMCTSA-N 391.581 2.862 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 12791720 MYRBWDNKRFWSQL-CMLPIDDHSA-N 382.464 2.637 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2nc3ccc(C)cc3s2)cc1 3358817 LVXDNTBEYJJACO-UHFFFAOYSA-N 397.456 2.825 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 2239298 KJGFIRBRZZYROY-UHFFFAOYSA-N 390.465 2.785 0 40 GFAB O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1ccc2c(c1)OCCO2 48332689 GNQQYVVSPJFPHF-UHFFFAOYSA-N 375.381 2.583 0 40 GFAB CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc21 28226268 TUARMZWVJDQQML-UHFFFAOYSA-N 385.489 2.855 0 40 GFAB CC(C)c1nnc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)s1 12812617 AUFZXLGWJXKVDS-UHFFFAOYSA-N 380.495 2.626 0 40 GFAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 10296176 KPTAFNDAPDYQSX-CQSZACIVSA-N 390.461 2.575 0 40 GFAB Cc1cc(N2CCN(CC(=O)Nc3cc(F)cc(F)c3)CC2)nc(C(C)C)n1 29144165 PKJVCIWGKJWRSB-UHFFFAOYSA-N 389.450 2.947 0 40 GFAB COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1Cl 12969296 PITQPYNBVBNUHQ-UHFFFAOYSA-N 396.852 2.677 0 40 GFAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccco2)cc1 9239020 ZCWNEWOYAGSMCD-IRXDYDNUSA-N 399.476 2.654 0 40 GFAB O=c1c2ccsc2ncn1Cc1nnc(-c2ccc(Br)o2)o1 9390277 SITIPYIHLFJQFS-UHFFFAOYSA-N 379.195 2.912 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709169 PGBXLUWLABTXJS-UHFFFAOYSA-N 383.423 2.753 0 40 GFAB O=C(CCCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccccc21 96231023 NKEHTEAGQZQXBO-KRWDZBQOSA-N 377.448 2.662 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2)cc1 5274880 LVNPOKMSNXUQQI-IAGOWNOFSA-N 381.461 2.993 0 40 GFAB COc1ccc([C@H](CC(=O)NCC(=O)Nc2c(C)cccc2C)NC(C)=O)cc1 14045885 WGTCVEMNOOSTMF-IBGZPJMESA-N 397.475 2.634 0 40 GFAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 14122755 QIOLKZBYHXUVAD-UHFFFAOYSA-N 395.289 2.795 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)CCSc1ccc(F)cc1 6432064 BIXCPWPCRNIJNY-UHFFFAOYSA-N 391.420 2.816 0 40 GFAB CCOCCCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 4601796 OFWRRTPERRGYCT-UHFFFAOYSA-N 389.521 2.974 0 40 GFAB C[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(F)cc1 22525319 BPYNUKIOZOSZPV-LLVKDONJSA-N 386.395 2.747 0 40 GFAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H](O)c3ccccc3)c12 6659713 ABKMDXUKNWJKAJ-KRWDZBQOSA-N 381.428 2.892 0 40 GFAB COc1cccc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)c1 6810899 KLWWKQVZXHOQJF-KRWDZBQOSA-N 377.437 2.664 0 40 GFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc21 5804925 XPAWJIBSPHFXQM-CYBMUJFWSA-N 380.404 2.838 0 40 GFAB O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)NCc2ccco2)c1 9583171 UFDUGPKCLBEJEP-UHFFFAOYSA-N 388.420 2.827 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(C)oc2C)NC(=O)N[C@@H]1c1ccccc1 5992288 YFWPEKBHUZAVPU-GOSISDBHSA-N 398.415 2.925 0 40 GFAB CCN(CC)C(=O)[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 7187055 HICFKNLYEUKYAJ-GOSISDBHSA-N 389.473 2.857 0 40 GFAB O=C(Nc1cccc2cnccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 7655270 SNCGHGRMMOBNOR-UHFFFAOYSA-N 397.456 2.508 0 40 GFAB C[C@@H]1c2ccsc2CCN1C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 7830264 GTBODDGTPSGLIK-GFCCVEGCSA-N 382.482 2.654 0 40 GFAB CN(CCS(=O)(=O)Oc1ccccc1)CC(=O)Nc1ccccc1Cl 7912286 PTXQAXHYDBCGPJ-UHFFFAOYSA-N 382.869 2.619 0 40 GFAB Cc1nc(COc2ccc(C(=O)NCC(=O)NCc3ccco3)cc2)cs1 7953869 SMMJZPSUQZILTO-UHFFFAOYSA-N 385.445 2.670 0 40 GFAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 9647450 HWJMEGVEDJFNLQ-JOCHJYFZSA-N 398.426 2.783 0 40 GFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC(=O)Nc4cnccc43)c12 84066690 GIFSISZDSHQTTL-UHFFFAOYSA-N 398.426 2.938 0 40 GFAB CCCCn1nnnc1CN1CCO[C@H](c2ccc(Br)cc2)C1 69927496 SMXLIVBZOVEBGL-HNNXBMFYSA-N 380.290 2.809 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1 20799941 BCPXVLJVUNWEFR-HNNXBMFYSA-N 394.479 2.730 0 40 GFAB CCCc1cc(=O)[nH]c(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)n1 8721487 BYTRSTZTDATGBK-UHFFFAOYSA-N 383.481 2.834 0 40 GFAB O=C(Nc1ccccc1)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 8884412 MOEXBESRFILDHB-UHFFFAOYSA-N 381.404 2.503 0 40 GFAB CC(C)(C)c1noc(CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)n1 95965399 NPYOZESXXIZEJC-INIZCTEOSA-N 385.464 2.800 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 408533994 RXJDPIPXWYYEOG-UHFFFAOYSA-N 390.505 2.802 0 40 GFAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(C)(C)N2CCOCC2)c1Cl 21169544 KPDWWSOFEOETIV-UHFFFAOYSA-N 395.352 2.999 0 40 GFAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1cccc(Cl)c1 409222663 CZOVRYWJJAJNTA-UHFFFAOYSA-N 384.775 2.565 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 30864756 OOAQDRVLPCTJBY-UHFFFAOYSA-N 382.869 2.693 0 40 GFAB COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 31815451 ZQDOPHSQMVGLDS-OAHLLOKOSA-N 377.404 2.784 0 40 GFAB O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2cccc(F)c2)C1 306124290 BMCOEOCWSLOGLT-JOCHJYFZSA-N 376.435 2.992 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OCC)cc2)cc1 409393783 YAXBOZZDTZXSHM-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccc(C)s3)CC2)C1 306144993 ZUBWELGYBJNTIK-UHFFFAOYSA-N 375.498 2.530 0 40 GFAB COc1ccc([C@@H](NC(=O)COc2coc(C)cc2=O)C(C)C)cc1OC 524731889 NXGMPXJLHRUJSJ-FQEVSTJZSA-N 375.421 2.858 0 40 GFAB biogenic CCN(CC)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1 78878194 YYXWNTUFOMBUQS-QGZVFWFLSA-N 392.525 2.954 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2ccn(COc3cc(C)cc(C)c3)n2)CC1 32647937 TULUTLIDTFSTOB-UHFFFAOYSA-N 385.464 2.952 0 40 GFAB CC(C)OC(=O)[C@@H]1CCN(C(=O)CCCn2cncn2)[C@@H]1c1ccc(F)cc1 72342751 PTJJIIMRPKCVMN-IEBWSBKVSA-N 388.443 2.739 0 40 GFAB CCOC(=O)[C@@H]1C[C@]2(C)C(=O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 504752228 LKQRJDNQXYKHIT-ZWOKBUDYSA-N 393.505 2.839 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1cccc(C)c1 226065787 QIHBTHAJKHTJSK-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC)cc1 222860228 SKSHLVZCMWJVDY-INIZCTEOSA-N 384.476 2.800 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccc(C)c(C)c2)s1 223583320 HNQYIPIGZRVOBW-ZDUSSCGKSA-N 382.511 2.933 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)c(C)c1 136476054 ISUMHDGMVGMXKU-XTQVGHSUSA-N 394.471 2.975 0 40 GFAB O=C(Cn1cnc(-c2noc(-c3ccncc3)n2)c1)NCc1cccc(Cl)c1 49411894 AVEKGMXOPJSSNU-UHFFFAOYSA-N 394.822 2.965 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 222961960 ZYEKXRSZCZAWSZ-GOSISDBHSA-N 382.460 2.901 0 40 GFAB COc1cccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 225381996 HNZKZXIUGPOPSF-UHFFFAOYSA-N 382.869 2.749 0 40 GFAB CN1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)CC1 96266958 PAUKQTBEBDYFCX-UHFFFAOYSA-N 386.459 2.575 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)N1CC[C@@H](c2nc[nH]n2)C1 581485241 FAZMLDFTUATIDI-SSDOTTSWSA-N 394.363 2.757 0 40 GFAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc4ccccc4n3)C2)C1 248046060 WIIGKHDZGCHYPH-JPYJTQIMSA-N 397.519 2.824 0 40 GFAB Cc1noc(C2CCN(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CC2)n1 64225654 KWBHLECCBFQYDT-UHFFFAOYSA-N 397.479 2.590 0 40 GFAB COc1ccccc1OCC(=O)N[C@H]1CC[C@H](Oc2nc(C)cc(C)n2)CC1 252538967 NNZJMNLJLAJESX-QAQDUYKDSA-N 385.464 2.987 0 40 GFAB CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCCN(C(=O)CCC(=O)O)[C@H]3C[C@@H]21 257290487 QDDVKSQQFRQJKH-ZKNHNOBHSA-N 389.448 2.865 0 40 GFAB O=C(Nc1ccnc(OCCO)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 620641262 CKEUUSLMYZWZOE-UHFFFAOYSA-N 382.395 2.519 0 40 GFAB CCc1cccc(Oc2cc(-c3noc(CN4CC(=O)N(C)C4=O)n3)ccn2)c1 624504794 JWMHHNKXYSRYHD-UHFFFAOYSA-N 393.403 2.880 0 40 GFAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(C(=O)c3ccn(C)n3)CC2)c1 585274023 YMASIKIHPLXPRK-LJQANCHMSA-N 377.872 2.818 0 40 GFAB C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 72302129 UIIZJOGFADMHRH-MSOLQXFVSA-N 379.503 2.636 0 40 GFAB O=C(NCC1CC1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595872 PYHDWENFIIJZRX-DYXWJJEUSA-N 388.483 2.760 0 40 GFAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)NC5CCCCC5)nc4c23)C1 12132232 HOICLJBCOHFPSA-GFCCVEGCSA-N 399.520 2.679 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCC(n3cnc4cccnc43)CC2)cc1 12144595 GHTUGEUPLJWRDI-UHFFFAOYSA-N 377.448 2.910 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c1 13585680 HDVSFALZRLJBNG-UHFFFAOYSA-N 376.459 2.834 0 40 GFAB O=C(C(=O)N1CCOCC1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 14135992 MZRVLNRUWJAVGZ-UHFFFAOYSA-N 396.418 2.901 0 40 GFAB Cc1nc(NC(=S)NC(=O)C(C)(C)C)ccc1I 17077134 SOROIXCAFVKZJB-UHFFFAOYSA-N 377.251 2.854 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(C(=O)CCc4ccccc4)CC3)ncc2C1 19018809 CENIXKJNUPMGGF-UHFFFAOYSA-N 392.503 2.720 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@H]([C@@H](NC(C)=O)c2ccccn2)C1 19020280 BBMPAIMSEDKACR-XMSQKQJNSA-N 381.476 2.749 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19121074 WYEHTNFGIMTJRW-INIZCTEOSA-N 388.449 2.908 0 40 GFAB O=S(=O)(c1ccccc1F)N1CCC(c2nnc3n2CCCCC3)CC1 19349832 PLXRSMKTSZOGAB-UHFFFAOYSA-N 378.473 2.712 0 40 GFAB Cc1[nH]c2ccc(CNC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2c1C 19576844 DXCJIDRKQXJBOE-UHFFFAOYSA-N 382.464 2.656 0 40 GFAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1 19588920 OOSHTLDRRMJUNK-FQEVSTJZSA-N 380.492 2.769 0 40 GFAB CC(C)(CNC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1cccc(F)c1 19717255 FLONYLCGBVNITE-KRWDZBQOSA-N 383.423 2.735 0 40 GFAB CC(=O)NC1(c2ccccc2F)CCN(C[C@H](O)c2ccc3c(c2)CCO3)CC1 12188281 YRDZOHVCHQVGDT-NRFANRHFSA-N 398.478 2.921 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCC[C@@H](CO)C1)[C@]1(C2)NC(=O)c2ccccc2N1 12142475 LECRRTWKHHPNQY-KXIRJPJFSA-N 397.519 2.595 0 40 GFAB O=S(=O)(Cc1ccccc1F)NCC1CCN(C2CCSCC2)CC1 252497790 QPUXHFIGTFPWTC-UHFFFAOYSA-N 386.558 2.853 0 40 GFAB COc1ccc(CCCC(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc1C 19571288 LJGURLQMQKCOPO-UHFFFAOYSA-N 385.508 2.885 0 40 GFAB CCOC(=O)C1CCN([C@H](c2cccs2)c2sc3ncnn3c2O)CC1 22610138 WSPLGHWTLFACPF-CYBMUJFWSA-N 392.506 2.922 0 40 GFAB O=C1N[C@H]2CCCN(C(=O)c3ccnnc3)[C@H]2CCCCCOc2ccccc21 1848354556 LXKSCHMQJWMRHR-OALUTQOASA-N 394.475 2.833 0 40 GFAB COCc1nsc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n1 1889091525 OFWMITIBOYRNHJ-JQWIXIFHSA-N 385.415 2.813 0 40 GFAB COc1ccc(CCC(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)cc1 238831491 GABQNMCTPYAEJR-UHFFFAOYSA-N 391.475 2.975 0 40 GFAB O=C1CO[C@]2(CCCN(CC3CCOCC3)CC2)CN1c1cccc(F)c1 2037840669 QGHFIRNTZITXBD-NRFANRHFSA-N 376.472 2.840 0 40 GFAB CSc1nc(C)cc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 2086992610 KTSCYXIPKFTGCC-UHFFFAOYSA-N 379.493 2.686 0 40 GFAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 4348175 WREQFIYKTSZNCO-HNNXBMFYSA-N 392.452 2.878 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)c1 5398229 OSXXFVZZZOOGFI-UHFFFAOYSA-N 377.400 2.895 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3cccs3)nn2)CC1 6858805 GMOLSAFXSGFSIW-UHFFFAOYSA-N 392.506 2.598 0 40 GFAB COc1ccc2c(C)cc(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)nc2c1 2086889714 SNBJFJHXLAHZJW-HNNXBMFYSA-N 389.521 2.945 0 40 GFAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 585148097 NYZRGQNJEKJEEJ-GFCCVEGCSA-N 376.459 2.536 0 40 GFAB O=C(Nc1cccnc1-n1cccn1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 40074196 YKGXDTXVKKUMCE-KRWDZBQOSA-N 377.404 2.637 0 40 GFAB O=C1CN(c2ccc(NC(=O)COc3ccccc3Cl)cc2Cl)CCN1 40089723 MVCWKCILZGSOGN-UHFFFAOYSA-N 394.258 2.947 0 40 GFAB CCc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)N(C)C)cc1 40063382 SQZQWUALCUEUKL-PMACEKPBSA-N 381.524 2.675 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccccc1N1CCCC1 40103762 DXANZMBAIJPDPG-UHFFFAOYSA-N 381.480 2.840 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2 31208794 QOGORTHDDCVKAL-MRXNPFEDSA-N 398.434 2.781 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O 40478530 HOGWZPUZMQOFLB-UHFFFAOYSA-N 393.443 2.805 0 40 GFAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)NC2CCCCC2)cc1 51319326 GUCACKMFTDOUCU-UHFFFAOYSA-N 385.464 2.588 0 40 GFAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 32870365 UJAXBBIXOXATGO-CQSZACIVSA-N 377.444 2.849 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 32987890 UIULQEAIKWKUPW-LJQANCHMSA-N 393.487 2.876 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2cccs2)cc1 32988674 SKGVNEZGACINRQ-MRXNPFEDSA-N 392.502 2.593 0 40 GFAB COc1ccc2[nH]cc(C3=CCN(CC(=O)NC(=O)NC(C)(C)C)CC3)c2c1 53055808 SLYCWYKTMDBNOU-UHFFFAOYSA-N 384.480 2.890 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 790437 LVIGMERYNXFTPF-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB CC(=O)N[C@H](N(C)S(=O)(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 849628 OYXHGSFFDDYRBL-SNVBAGLBSA-N 394.107 2.793 0 40 GFAB O=C(O)CCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 889803 PUWMTGSPFLYYJB-UHFFFAOYSA-N 390.443 2.810 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12 1331765 WWGIXKGVEABXCP-UHFFFAOYSA-N 385.493 2.559 0 40 GFAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2)cc1C 3265966 KOHJUFPDTXLWOL-UHFFFAOYSA-N 380.897 2.942 0 40 GFAB CCOC(=O)/C=C1/SCC(=O)N1CCN(C)Cc1ccc(SC)cc1 105205539 CTOHVJOBPZLVHL-GZTJUZNOSA-N 380.535 2.820 0 40 GFAB O=C(c1cccnc1N1CCCC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23990239 OQLDWERSSACOEZ-UHFFFAOYSA-N 392.503 2.575 0 40 GFAB CN(c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F)C1CCCCC1 42870879 FKPLUJXMXNCLQP-CQSZACIVSA-N 383.489 2.903 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)cc1 4998244 BLGGWEZTVCHVPB-GFCCVEGCSA-N 389.433 2.793 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)cc1 6679525 KCPBYFRGNIVOSV-UHFFFAOYSA-N 396.490 2.736 0 40 GFAB CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCC(N)=O)C2=C1CCCC2=O 6953067 OMVUVQFBMYBZNL-UHFFFAOYSA-N 394.471 2.984 0 40 GFAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OC 6954681 HBDTYDCHLKMSHZ-XNTDXEJSSA-N 377.418 2.859 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2Cl)Oc2ccccc21 10009188 IXFRQSHUVOLZIG-KRWDZBQOSA-N 394.880 2.574 0 40 GFAB O=C(Nc1cccc2cnccc12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24761287 DIOZKIFIQOSQSC-CQSZACIVSA-N 375.384 2.955 0 40 GFAB COC(=O)c1cn(-c2ccccc2NC(=O)CSCc2cccs2)nn1 24927448 UVXFPDYSHSZCQZ-UHFFFAOYSA-N 388.474 2.987 0 40 GFAB CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)NC[C@@H]4CCCO4)cc3C2=O)c1 8471857 NJKCVORHPYIGCC-KRWDZBQOSA-N 392.411 2.599 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 25332037 GXERFDZJDDMCOE-HOCLYGCPSA-N 375.494 2.612 0 40 GFAB Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)cc1 107140418 YPJWSAWPVVPDOL-UHFFFAOYSA-N 390.443 2.572 0 40 GFAB COc1ccc(C2=N/C(=C\c3cc(OC)c4c(c3OC)OCO4)C(=O)O2)cc1 35326381 VTCZWSDSVWBTKO-ZSOIEALJSA-N 383.356 2.786 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 23984076 XLBDVLZETBSQDA-UHFFFAOYSA-N 390.505 2.912 0 40 GFAB Cc1ccccc1NC(=O)CSC1=NC(=O)CC(=O)N1Cc1ccccc1 3249688 RKNBAUICRORASX-UHFFFAOYSA-N 381.457 2.982 0 40 GFAB COc1ccccc1OCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9336153 AFPPHXRNJOPJIU-UHFFFAOYSA-N 381.432 2.581 0 40 GFAB O=C(Nc1nc[nH]n1)c1cccc(NC(=O)c2ccc(Br)o2)c1 52555646 PYEDRQDURMDCON-UHFFFAOYSA-N 376.170 2.665 0 40 GFAB CCN(CC)CCn1c(NC(=O)c2ccc3nncn3c2)nc2ccccc21 58218631 VTZAXQVZZPNEJN-UHFFFAOYSA-N 377.452 2.673 0 40 GFAB CCC[C@@](C)(NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)C(=O)OC 58434368 AVMSTHADEYZKBW-LJQANCHMSA-N 394.468 2.872 0 40 GFAB COC[C@@H](C)n1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O 3308676 JFWLUSFUACCCBM-CQSZACIVSA-N 375.494 2.709 0 40 GFAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC1CCCCCCC1 3340638 ACJHOXJFBWKUOG-IBGZPJMESA-N 396.491 2.860 0 40 GFAB COCCN1C[C@H](C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1=O 45307631 CUPLVRJIPWEARC-MRXNPFEDSA-N 385.489 2.807 0 40 GFAB O=C(CCCNC(=O)c1ccsc1)NCc1ccc(NC(=O)C2CC2)cc1 10902984 RLPITKSRFOFDIR-UHFFFAOYSA-N 385.489 2.923 0 40 GFAB Fc1cccc(-n2nnnc2SCCCc2nc(-c3cccnc3)no2)c1 11009919 PWSOLFYPZQCHTE-UHFFFAOYSA-N 383.412 2.971 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)c2c(F)cccc2F)CC1 59371945 UEDSHXUYLRYMMP-GFCCVEGCSA-N 385.436 2.637 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1Cl 3463895 IJZCYRGJNOUIBJ-HXUWFJFHSA-N 399.834 2.681 0 40 GFAB NC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2O1 13095993 UDRAZLNZHIXDKL-OAHLLOKOSA-N 380.231 2.685 0 40 GFAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)Nc1ccc2c(c1)OC(F)(F)O2 8981449 OIUGFDYRVJSZFT-JTQLQIEISA-N 384.364 2.709 0 40 GFAB O=C(CCCn1nnc2ccccc2c1=O)NCCc1c[nH]c2ccc(F)cc12 13623965 KCTQGJQLAOIFCO-UHFFFAOYSA-N 393.422 2.551 0 40 GFAB Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 4250647 OESOHTYJVFGBGF-UHFFFAOYSA-N 383.427 2.632 0 40 GFAB CCOc1ccc(-n2c(SCC(=O)NC(=O)NC)nc3ccccc32)cc1 4253453 ZUSZYDXIFRZHDE-UHFFFAOYSA-N 384.461 2.972 0 40 GFAB O=C(/C=C/c1ccc(F)cc1)NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 9172344 DWHHXZAZGAWQDF-VKFONMJVSA-N 397.475 2.521 0 40 GFAB biogenic CC(=O)c1cnn(-c2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)c1C 5426728 SEFPDIGQTCFAJU-UHFFFAOYSA-N 376.464 2.808 0 40 GFAB COc1ccc2c(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)cc(=O)oc2c1 6553017 WKEUGUPOQXTBSP-JOCHJYFZSA-N 390.395 2.695 0 40 GFAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@H]3C[C@@H]3C)n2)c1 5693708 VFGVXIMAJIKNMG-JQWIXIFHSA-N 376.434 2.965 0 40 GFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3C(=O)OC)n2)cc1 6747765 CHTDZFSIBIURGH-UHFFFAOYSA-N 393.399 2.670 0 40 GFAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)c1c[nH]c2ccccc12 5754575 GXJZLGUCQOBHLL-LBPRGKRZSA-N 375.384 2.762 0 40 GFAB O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 6830865 VNOQQVIKMOAEEX-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB O=C1CCCN1c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 15361299 JBGLUXDURFQQQQ-UHFFFAOYSA-N 389.429 2.742 0 40 GFAB O=S(=O)(CCn1nnc(-c2ccccc2)n1)c1ccc(Br)cc1 7454926 XNIJUJYJNAULEH-UHFFFAOYSA-N 393.266 2.577 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 16050353 VYZXDINUGYIPIU-GJZGRUSLSA-N 394.427 2.544 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 7813733 LHCFPUSNZMFRBZ-UHFFFAOYSA-N 378.881 2.706 0 40 GFAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242510 QEMIQEWDQHJWEC-DAFODLJHSA-N 398.456 2.573 0 40 GFAB Cc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)NCc1ccccc1 17168964 VQOOAACQJJMYOS-UHFFFAOYSA-N 395.484 2.799 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)OCCCO3)C2=O 8503490 XDHLMGLETOLDFR-UHFFFAOYSA-N 386.448 2.921 0 40 GFAB CCOC(=O)N1CCN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 24865154 ZNTHOJOUJMFBPF-UHFFFAOYSA-N 398.488 2.926 0 40 GFAB C[C@]1(CO)CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl 84673408 RPEIYRFMXCDQNE-CHWSQXEVSA-N 382.707 2.932 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)o2)cc1 97379670 KUDRUZDFIOVFFK-NRFANRHFSA-N 388.464 2.792 0 40 GFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCc2[nH]c3ccccc3c2C1 9902002 REEWRVNJKPOKLC-UHFFFAOYSA-N 375.350 2.933 0 40 GFAB Cc1cc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)ccc1Br 64948405 KVGDCCGXFFHVSP-LBPRGKRZSA-N 391.331 2.684 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12 408722857 XUOYTVSWIQTCHU-UHFFFAOYSA-N 380.425 2.891 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 72355315 AZWSITYXZNMMSY-KRWDZBQOSA-N 377.448 2.620 0 40 GFAB CN(C)c1ccnc(N2CCN(Cc3ccc(Br)cc3)CC2)n1 154321949 BYLCLOYMIJPTEA-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB CN1CCN(Cc2ccc(-c3ccccn3)nc2)C[C@H]1c1nc(C2CC2)no1 566139140 CSUZSQUHRWQQLK-IBGZPJMESA-N 376.464 2.893 0 40 GFAB C[C@@H](CC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1ccnc1 72327797 KXGGTRQPRFAFOQ-ZJBJCVSYSA-N 396.491 2.855 0 40 GFAB Cc1ccc(C(=O)Nc2cccnc2Oc2ccc3c(c2)OCO3)c(=O)n1C 72400688 DYYNWVNRBXLVEU-UHFFFAOYSA-N 379.372 2.862 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 41154646 CQWMMWAKDJNCTJ-AWEZNQCLSA-N 395.456 2.609 0 40 GFAB CC[C@@H](C)NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 225221265 ADXQHQKZKKVOLO-OAHLLOKOSA-N 382.526 2.717 0 40 GFAB Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)CC(C)C)s1)[C@H](C)C2 41085462 QWGSVTGNOXOUSI-GFCCVEGCSA-N 394.522 2.971 0 40 GFAB CCOc1ccccc1NC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225603329 GYFXYZYROUNCPW-UHFFFAOYSA-N 397.479 2.608 0 40 GFAB COCCNC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225899521 KHXHPBIZCPOEQA-GHMZBOCLSA-N 391.463 2.911 0 40 GFAB Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)c1ccc(Br)o1 95480745 LSJGFVQCGVQEDC-UHFFFAOYSA-N 394.200 2.630 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@H](OCc2nc3ccccc3o2)[C@H](F)C1 96112013 BHHXOSVFGRUPFD-QAPCUYQASA-N 390.436 2.897 0 40 GFAB biogenic,in-vitro CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccccn1)CC2 96260506 WRFFSPBIPRQCBS-UHFFFAOYSA-N 381.524 2.847 0 40 GFAB Cc1nc(CN2CCOC[C@]3(C2)CN(Cc2cccs2)CCO3)cs1 96049806 CKKXNDVIUVXYQS-SFHVURJKSA-N 379.551 2.616 0 40 GFAB CCN1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)c1ccsc1)CC2 96230359 UOBQNBLCBFVXRO-UHFFFAOYSA-N 398.532 2.795 0 40 GFAB Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCCC2)c1 257283748 OZSOZWOQUNJUAJ-CZYKHXBRSA-N 395.503 2.555 0 40 GFAB COCC(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1 257241416 HXZCOZHFMRJIDH-UHFFFAOYSA-N 395.503 2.635 0 40 GFAB COC1(c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)CCC(C(F)F)CC1 1616046221 WFVGSFDBWCTHIT-UHFFFAOYSA-N 387.408 2.681 0 40 GFAB CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(C(=O)O)CC2)CC1 649465276 XCSZVXCMEHHEKB-OAHLLOKOSA-N 395.297 2.909 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(OC)c2ccccc2F)cc1 96123616 MIEQXMOQBLJTCW-SFHVURJKSA-N 396.440 2.844 0 40 GFAB CCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172747 DGSUSZFUKKEHLZ-OAQYLSRUSA-N 393.531 2.860 0 40 GFAB COCCNC(=O)c1ccc2[nH]nc(Cc3ccc(-c4cnn(C)c4)cc3)c2c1 1384259556 MYODQBLYOKTZML-UHFFFAOYSA-N 389.459 2.930 0 40 GFAB Cc1ccc(C[C@@H](NS(=O)(=O)c2cnc(C3CC3)s2)C(=O)O)cc1C 952885640 GMBCAIAOUJGOHF-CQSZACIVSA-N 380.491 2.612 0 40 GFAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC(=O)NC(C)C)[C@@H](C)C[C@H]32)cc1 1775964304 CWKJPTQWEFNKTO-KCUHQSDYSA-N 387.524 2.818 0 40 GFAB biogenic,in-vitro Cn1cc(C(=O)O)c(-c2ccc(NS(=O)(=O)c3c(F)cccc3F)cc2)n1 78699069 AZBDBFUKUNAUOG-UHFFFAOYSA-N 393.371 2.864 0 40 GFAB Cc1cc(N2CCC(NC(=O)C[C@@H]3OCCc4ccsc43)CC2)nc(C)n1 89599374 SJUKISBDKBJDFW-KRWDZBQOSA-N 386.521 2.944 0 40 GFAB CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](CNC(=O)OCc3ccccc3)O[C@H]2C1 91302716 FJWIJNWULWSJNU-IKGGRYGDSA-N 376.453 2.937 0 40 GFAB in-vitro COc1ccc(C(=O)N2CCC(C(=O)NC[C@@H](C)C(=O)O)CC2)c2ccccc12 97018698 DIBLIHPVVOAIIP-CQSZACIVSA-N 398.459 2.538 0 40 GFAB O=C(NCc1cccc(N2CCOCC2)n1)c1cccn1Cc1ccccc1 681311801 RQPQNQIVIVUPSH-UHFFFAOYSA-N 376.460 2.698 0 40 GFAB CC1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)c4cccs4)cc32)CC1 12240054 UYLMIUBSGQJYGO-UHFFFAOYSA-N 398.484 2.963 0 40 GFAB CNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(C)cc2Cl)c2ccccc12 12447187 RFILOXFULBNPOU-UHFFFAOYSA-N 383.835 2.962 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)NC(C)C 12859573 QOIQZYGDBSSSQD-RDBSUJKOSA-N 386.370 2.594 0 40 GFAB O=C(c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1)N1CCC[C@H](O)C1 19293794 BGMQHBFNTMPFGB-SFHVURJKSA-N 387.455 2.790 0 40 GFAB CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1C 19523795 FKWHGGNCWZQCDY-GFCCVEGCSA-N 394.497 2.526 0 40 GFAB CNc1nc(C)c(C(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)s1 19560875 XEDFVWHTXSKCMC-CYBMUJFWSA-N 383.477 2.750 0 40 GFAB Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@H](C)Cn2nc(C)cc2C)n1 19573685 ZXGICVQQUBJEFS-LLVKDONJSA-N 387.431 2.914 0 40 GFAB NC(=O)C[C@H]1CN(Cc2cnc3ccccc3c2)C[C@H]1OC(=O)c1ccccc1 643586824 DVXYNMXJIQLTLW-PZJWPPBQSA-N 389.455 2.768 0 40 GFAB CCc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)on1 12276646 JGARIYDZMDNAIA-CQSZACIVSA-N 378.432 2.904 0 40 GFAB CCC(=O)N1CCO[C@@H](c2c(C(=O)NCCOC)sc3ccccc23)C1 19697945 ZULWMKYVPKHMBT-CQSZACIVSA-N 376.478 2.587 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)Nc1ccccc1F 3419709 YBNHTHQHGDHECY-LBPRGKRZSA-N 395.390 2.666 0 40 GFAB CN(C)c1ccnc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n1 1889116271 MNMKGMUGHWWSDE-OCCSQVGLSA-N 378.402 2.672 0 40 GFAB COc1ccc(N(C(=O)c2cccc(F)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 5080815 YLCKBLNLRODLNR-HNNXBMFYSA-N 391.420 2.800 0 40 GFAB CN1CCOc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1=O 9828177 LWGNHUQYJGFCDK-UHFFFAOYSA-N 386.473 2.831 0 40 GFAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 225633874 QHXMQWAANHFCIK-YJBOKZPZSA-N 380.400 2.897 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2cnc3ccccc32)nc1 32796656 UINNFSOGRGXMBB-UHFFFAOYSA-N 396.410 2.769 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)Cn1ccc2cc(Br)ccc21 36575300 DFUYALRZJXIAFF-CYBMUJFWSA-N 399.310 2.815 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NC2CCCCCC2)c(C)c1NS(C)(=O)=O 40156961 RUKAZNYKIQWMMP-UHFFFAOYSA-N 388.555 2.984 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(C(=O)N2CCCCCC2)cc1 40154268 NFEQFVAZECZEGN-MRXNPFEDSA-N 397.475 2.731 0 40 GFAB CC(C)C12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)O)c3ccccc13)C2=O 32123985 NEJJKEGKHUGTJR-UHFFFAOYSA-N 395.503 2.977 0 40 GFAB biogenic Cc1nc2cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 32718823 SDQRYLKWGHMFPQ-KRWDZBQOSA-N 383.473 2.593 0 40 GFAB CC(=O)N[C@H](C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C(C)C 32971020 NDAXYAZKJVQQPU-SFHVURJKSA-N 386.521 2.801 0 40 GFAB C[C@@H](C(=O)Nc1nccs1)N1CCN(CCSc2ccccc2)CC1 52805171 PKRJYWALJLYNLC-HNNXBMFYSA-N 376.551 2.880 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@]1(C)CC1(Cl)Cl 22522245 GUOABQSOGJTUPU-AWEZNQCLSA-N 393.292 2.658 0 40 GFAB CC(C)c1cccc(NC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)c1 22749490 LLNWAUOAWDOFSK-UHFFFAOYSA-N 387.509 2.885 0 40 GFAB COc1ccc2nc(NC(=O)Cn3nc4c(cc3=O)CCCCC4)sc2c1 61722070 RJPGJPXPEWHXBQ-UHFFFAOYSA-N 384.461 2.769 0 40 GFAB C[C@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C[C@H](c2ccccc2)O1 78871836 GWQPZBGLNLQFMV-MGPUTAFESA-N 390.443 2.573 0 40 GFAB COc1cc(Br)cc(C(OC(C)=O)OC(C)=O)c1OC(C)=O 1621405 LQOREVOZTCFCKR-UHFFFAOYSA-N 375.171 2.508 0 40 GFAB O=C(CCc1ccc2ccccc2c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 54152075 LXXQZQNJPWCQTR-NRFANRHFSA-N 380.488 2.870 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccnc1Oc1ccccc1 47890514 YNYSXYBAVVLMJN-HZPDHXFCSA-N 379.416 2.988 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 12566312 DEXWOCRJDJFQBJ-UHFFFAOYSA-N 394.383 2.500 0 40 GFAB CC(C)NC(=O)Cn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccccc21 4859274 OMJUAAVGFCMVJY-OAHLLOKOSA-N 388.537 2.912 0 40 GFAB CCCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccccn1 4861013 KDPIJTTYBCILCD-UHFFFAOYSA-N 389.510 2.895 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 7601877 VHLWBDUJPIIYBQ-MQSIBISMSA-N 396.399 2.957 0 40 GFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C)c2C)s1 8474589 OFXGFEQYVBHBRM-UHFFFAOYSA-N 390.465 2.754 0 40 GFAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)N1CCC[C@@H]2CCCC[C@H]21 25063702 IBLKCFZEDACGJO-PZJWPPBQSA-N 395.551 2.633 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCOc4ccc(Cl)cc43)ccc21 62090078 GRGXGWIVTVDSHG-UHFFFAOYSA-N 392.864 2.837 0 40 GFAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(C(=O)N(C)C)c2)no1 25545997 RNZLFSSQWBQNQI-UHFFFAOYSA-N 380.404 2.911 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)CC1 100740425 CBEBMLGAMZDZSU-RVKKMQEKSA-N 398.511 2.801 0 40 GFAB O=c1ccc(-c2ccccc2)nn1CN1CCN(CCOc2ccccc2)CC1 57085312 DXXDLGDFSPYELY-UHFFFAOYSA-N 390.487 2.564 0 40 GFAB COc1ccc2cc([C@H](C)C(=O)N3CCN(CC(=O)NC(C)C)CC3)ccc2c1 35306231 GTJAGSFVSLSTPI-KRWDZBQOSA-N 397.519 2.621 0 40 GFAB CC(=O)[C@@H]1[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N12 9422171 IDRVIQXMNRIGPG-VXIBKDFQSA-N 389.455 2.808 0 40 GFAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccccc1C(=O)c1ccccc1 48279808 MUYZJHSKJRWWEC-UHFFFAOYSA-N 383.411 2.823 0 40 GFAB COc1ccc(Oc2cc(CNS(=O)(=O)N3CCC(C)CC3)ccn2)cc1 48279614 QRBDQHOUCQITSQ-UHFFFAOYSA-N 391.493 2.949 0 40 GFAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCNC(=O)C1 95349202 CDWQLOPVPJZQRA-CQSZACIVSA-N 377.794 2.754 0 40 GFAB COc1cc(NC(=O)CN2CCC[C@H]2c2cc(C)on2)cc(OC)c1OC 27882256 JDKNEUWZSCWCFQ-HNNXBMFYSA-N 375.425 2.784 0 40 GFAB COc1ccc(-c2nnn(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)n2)cc1OC 58458319 ZLDUEKLXRURSPZ-CYBMUJFWSA-N 399.426 2.716 0 40 GFAB COc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3cccs3)CC1)O2 170550460 DZNAKLCQHMGGOV-UHFFFAOYSA-N 393.486 2.945 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)C)cc2)cc1OC 113936597 QYXPZDURZTVSIP-UHFFFAOYSA-N 392.477 2.667 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)NCC2(c3ccccc3)CCC2)CC1 48353261 MXUCUECGGKPSER-UHFFFAOYSA-N 393.553 2.612 0 40 GFAB Cc1ccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1F 11163987 SIABOPRPWJVXSB-KRWDZBQOSA-N 376.453 2.766 0 40 GFAB O=C(CNc1ccc(Cl)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11124720 YTGRRTSXUZWSRL-QGZVFWFLSA-N 378.881 2.972 0 40 GFAB Cc1ccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(F)c1 11248459 LFAOXEVRQRGNKD-MRXNPFEDSA-N 376.453 2.766 0 40 GFAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)cc1 12881914 RJAVGTHAHRXTFO-AWEZNQCLSA-N 394.518 2.598 0 40 GFAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CSc2nnnn2C2CC2)c1 12815791 RJHMHLCSSMDFEZ-UHFFFAOYSA-N 383.481 2.850 0 40 GFAB c1cncc(CN2CNC3=N[C@@H](c4cccnc4)n4c(nc5ccccc54)N3C2)c1 20638684 SRBBADCUSHHTFB-HXUWFJFHSA-N 396.458 2.570 0 40 GFAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](C)c3cccc4ccccc34)cnc21 29201157 YVVDULIIYKORMG-CYBMUJFWSA-N 388.427 2.749 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)COc1c(OC)cccc1C(N)=O 12818138 QBIHRYNWXLUONE-UHFFFAOYSA-N 378.812 2.782 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)cc1 3412512 WABYCFMTJHKMJD-GOSISDBHSA-N 379.416 2.711 0 40 GFAB CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCCCCC2)n1 27517202 OCCSGCPZFIJWJK-UHFFFAOYSA-N 399.499 2.519 0 40 GFAB COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OC)nc3)cc2)cn1 3415246 ZITQNMHUDDSEES-UHFFFAOYSA-N 378.388 2.998 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 3552319 BTMWJCGDBMWKQP-UHFFFAOYSA-N 377.418 2.665 0 40 GFAB CSCc1nnc(SCC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)o1 12918840 VITMKQYMRXYDIT-UHFFFAOYSA-N 394.522 2.739 0 40 GFAB NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 12993039 NNRWXLDHNYYAQT-OAHLLOKOSA-N 387.486 2.921 0 40 GFAB COCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 3636307 WXRUCYQFMQVMKM-OAQYLSRUSA-N 384.501 2.880 0 40 GFAB O=C(CCSc1ccc(Br)cc1)NC[C@@]1(O)CCSC1 84419290 YVXXQKNPUHQLRL-AWEZNQCLSA-N 376.341 2.916 0 40 GFAB COc1cc(C)c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 408550739 JJINIXDHMXSJIJ-MHWRWJLKSA-N 390.461 2.671 0 40 GFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cccc(Cl)c1 5797549 HAHKBSZBNVDVFT-UHFFFAOYSA-N 394.880 2.802 0 40 GFAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1 9368892 YSQYWXSVYWOYJS-UHFFFAOYSA-N 387.383 2.716 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 6910088 PLVABSYTJINHJE-HXUWFJFHSA-N 381.476 2.916 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3nccs3)o2)cc1OC 4943130 GNUVFVGEIHYYCS-UHFFFAOYSA-N 392.462 2.865 0 40 GFAB C[C@]1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCS(=O)(=O)C1 5971675 SFIXYBXMLPWZGC-INIZCTEOSA-N 382.532 2.596 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c(OC)cc1Cl 7387472 NORRRHGVRRMSSQ-UHFFFAOYSA-N 389.788 2.995 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC([C@H](O)c3ccccc3)CC2)c1 67962496 GBHOAIWBKGTKSP-HRAATJIYSA-N 395.503 2.819 0 40 GFAB CCOC(=O)[C@@H]1CCC[C@H]1N1CCN(C(=O)c2ccccc2OC(F)F)CC1 95457030 PLGZVAHRVFBJIG-GDBMZVCRSA-N 396.434 2.778 0 40 GFAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 7758845 HQGMMSHMEDFBKH-UHFFFAOYSA-N 399.827 2.825 0 40 GFAB COc1ccc([C@@H]2CCCN2Cc2nn3c(=O)cc(C)nc3s2)c(OC)c1 7742566 BOTHICYOMDPEEJ-HNNXBMFYSA-N 386.477 2.814 0 40 GFAB CCCCn1c(N)c(N(C)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O 7986399 AWBIARZVXLFBNV-UHFFFAOYSA-N 390.509 2.526 0 40 GFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)OCc1cccc(F)c1F 8252447 QMWZWMJBYYFRFJ-UHFFFAOYSA-N 388.370 2.565 0 40 GFAB CCOC(=O)C1=C(COC(=O)[C@H](C)Sc2ccc(C)cc2)NC(=O)N[C@@H]1C 8328906 VASARLGGIYYRCB-OLZOCXBDSA-N 392.477 2.537 0 40 GFAB CC(=O)Nc1cc(NCC(=O)Nc2ccccc2C(=O)NC2CC2)ccc1F 24365352 ZYJLQAVMUJHQRE-UHFFFAOYSA-N 384.411 2.727 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)COc2c(F)c(F)cc(F)c2F)cc1 9685353 MLBAOPFKSGWLQV-UHFFFAOYSA-N 377.315 2.664 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccccc1 408700638 JIFXSMRLHVFZSF-HNNXBMFYSA-N 388.489 2.971 0 40 GFAB COc1ccc(OCC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)cc1 409356336 MKDLUQIJMNALEQ-FABXCBLPSA-N 386.370 2.959 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450086 JUPMWRDZMFSEHR-VUSFMPOISA-N 390.505 2.822 0 40 GFAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nnc(C(F)F)s2)CC1=O 60058689 LHXTZBPEEXHKOT-SECBINFHSA-N 382.392 2.784 0 40 GFAB Cc1ccc(NC(=O)CCCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 36575913 HCXIBHNRUMXIET-ZWKOTPCHSA-N 393.487 2.911 0 40 GFAB CCc1cccc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 33655198 LHNATXQSOHXATL-CQSZACIVSA-N 376.478 2.872 0 40 GFAB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 33655402 GDYYMXWFURPAFB-UHFFFAOYSA-N 384.194 2.826 0 40 GFAB COc1ccc2c(c1OC)[C@@H]1N(C)CCc3cc4c(cc3[C@@]1(OC)C2=O)OCO4 31961064 DNRNULWBLUZTMH-UNMCSNQZSA-N 397.427 2.700 0 40 GFAB Cc1c(CC(=O)NC[C@H]2CC[C@@H](C(=O)O)CC2)c(=O)oc2c(C)c(O)ccc12 217443330 PZFDIYSDWSIGAU-HDJSIYSDSA-N 387.432 2.665 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1 224075208 SCGOTWFMSYBOMK-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1OC 222899808 XJVXXXHFQFBUDA-QGZVFWFLSA-N 392.477 2.887 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC)c(Cl)c2)cc1C 224648208 PONDBBMSLAOLTO-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C(=O)NC(C)C 223881853 HOXACPPGUXGCTG-UHFFFAOYSA-N 394.468 2.793 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)NCCCc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 223281813 ZSIKDSIVMNOXSD-WOJBJXKFSA-N 388.414 2.612 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 77101371 SPWULHNTMGQZQT-UHFFFAOYSA-N 397.866 2.648 0 40 GFAB COc1ccc(CNC(=O)N2CC(c3nc(Cc4ccccc4)no3)C2)cc1 77190758 BEBUVWQQLHGVHF-UHFFFAOYSA-N 378.432 2.978 0 40 GFAB COc1cccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c1 224692171 BHZCLEXQTAQSGM-UHFFFAOYSA-N 382.526 2.938 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 222849087 CIJVGCNPCMXYGH-UHFFFAOYSA-N 388.489 2.732 0 40 GFAB CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2cncn2C)CC1 585084652 FHQRVOFHDKWWBL-UHFFFAOYSA-N 394.397 2.816 0 40 GFAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(C(=O)CCN3CCCCC3)C2)n1 257268990 MOCRTALJEIBDIF-KRWDZBQOSA-N 382.512 2.757 0 40 GFAB CCOc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 260840631 WVZWHNOPCKEVFI-MGPUTAFESA-N 386.473 2.941 0 40 GFAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1ncsc1C(F)(F)F 623002918 DIVBOWLNKXYFLA-JTQLQIEISA-N 376.381 2.561 0 40 GFAB O=C(Cc1c[nH]c2cnccc12)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1117869796 HDSQMIZGDVKSJD-INIZCTEOSA-N 386.814 2.820 0 40 GFAB COCc1ccc(NC(=O)N2CCC[C@@H]2CS(C)(=O)=O)cc1C(F)(F)F 667778490 FHSUXIWWUZBHPG-CYBMUJFWSA-N 394.415 2.893 0 40 GFAB O=C(CCCC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 96104270 NLYBHXOXSAHIJC-UHFFFAOYSA-N 389.448 2.863 0 40 GFAB CCOc1ccccc1CCC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377491 MMDQQXGLHDTLPH-UHFFFAOYSA-N 391.464 2.842 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(C(=O)N(C)C)Cc1ccccc12 585105726 HKEFZCWBJIJKGY-UHFFFAOYSA-N 396.491 2.963 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615128414 JCWUVTWKKQCHTB-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB CC(=O)N1CCN(c2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)CC1 12113372 BZLPYBJEHQPTNO-UHFFFAOYSA-N 375.476 2.862 0 40 GFAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1F 12366323 CDRDFHMTRDHLEV-VSOVRNOCSA-N 383.467 2.818 0 40 GFAB CNc1ncc(C(=O)N2CCCCC[C@H]3N[C@H](Cc4ccccc4)C[C@@H]32)cn1 19712884 KPINOGXRTINEHS-AQNXPRMDSA-N 379.508 2.876 0 40 GFAB Cc1c(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)cnn1-c1ccc(F)cc1F 593949288 YCEQENYVHOTNGW-IBGZPJMESA-N 396.397 2.684 0 40 GFAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc(F)c(F)c1 4563320 QEGJXDHIQARKOX-UHFFFAOYSA-N 387.342 2.630 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cc(F)cc(F)c1 10517484 WCUSMJOZXMDXRS-UHFFFAOYSA-N 382.432 2.622 0 40 GFAB O=C(N[C@@H]1CN2CCC1CC2)c1cnc(-c2cnc3ccc(Cl)cn23)s1 2037834885 CYPGGQMRLUFMAP-CYBMUJFWSA-N 387.896 2.935 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037840906 VIQXNFJZOURFEM-UHFFFAOYSA-N 382.435 2.793 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@@H]4[C@@]2(O)[C@@H]1O)[C@H]1[C@H](C[C@@H]3C)C1(C)C 2060999903 ONMDPPVVEFWDOD-DUZACNNYSA-N 388.504 2.614 0 40 GFAB CCOC(=O)N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O 2397511 UBWFPFAPKJZQIS-LBPRGKRZSA-N 383.685 2.744 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)N4CCCCCC4)cnc32)c1C 4479179 OYGRNEZBVJNIBT-UHFFFAOYSA-N 379.464 2.602 0 40 GFAB O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1ccc(F)cc1F 4504263 GHIQUVIKLXGGTN-UHFFFAOYSA-N 382.779 2.752 0 40 GFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c(Cl)c1 4940653 QFOBVHXPLLWWQO-UHFFFAOYSA-N 382.800 2.652 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccn1 5242198 YVNDDFFKFXSWLL-UHFFFAOYSA-N 378.820 2.577 0 40 GFAB CCCS(=O)(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 8840245 PWNBXKXOQPTEIC-UHFFFAOYSA-N 394.518 2.585 0 40 GFAB COc1ccc(CCS(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1 11693707 QUMNIHVYVQKGMM-UHFFFAOYSA-N 376.522 2.856 0 40 GFAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccccc1F 16980803 QOQLRAPPPGGMCV-UHFFFAOYSA-N 383.427 2.900 0 40 GFAB COC(=O)C1CCN([C@H](c2ccc(C)cc2)c2sc3ncnn3c2O)CC1 22609245 MQLUSDMCBIPKGW-OAHLLOKOSA-N 386.477 2.779 0 40 GFAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCC(O)CC3)c(O)n2n1 22855209 ZIKJGAPWDIBKDR-MRXNPFEDSA-N 388.493 2.614 0 40 GFAB NC(=O)c1ccc(NC(=O)CN2CCC(COCc3ccc(F)cc3)CC2)cc1 77191545 CTYXBXKLKBBAOI-UHFFFAOYSA-N 399.466 2.792 0 40 GFAB Cc1ccc2c(c1)nc1n2CN(CCN2CCOCC2)CN1Cc1ccccc1 20589301 MZFPXGAZARJJIQ-UHFFFAOYSA-N 391.519 2.914 0 40 GFAB Cc1ccn(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)/c(=N/C2CCCCC2)c1 102493566 ZIBOKJSJYOGYSO-JNLUBWBTSA-N 381.476 2.621 0 40 GFAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCC2(N(C)C)CCCCC2)CC1=O 32960798 FTFLUDPBMCIFJL-KRWDZBQOSA-N 387.524 2.737 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(F)c(C)c1 22976448 GLYLLBWRANJUAS-LJQANCHMSA-N 390.480 2.527 0 40 GFAB Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)Nc1ccccc1 923773 QTNUWPPQVBHTEB-UHFFFAOYSA-N 378.461 2.944 0 40 GFAB Cc1nnc(NC(=O)c2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)s1 71284077 DOPKATGNGQVPIC-UHFFFAOYSA-N 396.428 2.978 0 40 GFAB COc1ccc(CN(CCS(C)(=O)=O)C(C)C)c(Br)c1OC 84597269 OCFWVWBAZMTSLU-UHFFFAOYSA-N 394.331 2.721 0 40 GFAB O=C(NC1CC1)[C@@H]1CCCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 54985376 SPQIJMLZZOATTC-INIZCTEOSA-N 394.500 2.895 0 40 GFAB COc1cc(Br)c2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)N(C)CC[C@@]314 4972616 YZPIZCZVRQNQEA-VBOQLQMTSA-N 378.266 2.696 0 40 GFAB Nc1nc(SCC(=O)NCC(F)(F)F)nc2sc3c(c12)CCCC3 6108714 VFQMSFWYWIIXRE-UHFFFAOYSA-N 376.429 2.923 0 40 GFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 6593639 SZWYUBRCAQCLJM-HOTGVXAUSA-N 382.526 2.709 0 40 GFAB O=C(COC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccc2c(c1)OCO2 24887742 MCSIYRNEJOLGKE-UHFFFAOYSA-N 382.372 2.559 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCc1ccc(F)cc1 24928236 XNUNWNFHEIWCTM-UHFFFAOYSA-N 392.452 2.846 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCCc2ccccc2)c(OC)c1 48073539 PELABCFKUOONIZ-IBGZPJMESA-N 382.460 2.667 0 40 GFAB COc1cccc([C@H](C)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 108455679 BZHZTMHKFVBXPI-YYWHXJBOSA-N 379.504 2.945 0 40 GFAB COc1ccc(-c2nnc3s/c(=C\c4cccc(C)c4)c(=O)n23)cc1OC 9189177 WTGUMUFNQJMOQG-YVLHZVERSA-N 379.441 2.691 0 40 GFAB CC(=O)N1CCN(C(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)CC1 27477576 CJNPPCMHOASOGI-UHFFFAOYSA-N 392.459 2.526 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)c1 57490039 KQZRICQFZGVJFX-OAHLLOKOSA-N 397.500 2.923 0 40 GFAB COc1ccc(CCC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cc1 58263870 LXJNAZZBHRLYAB-UHFFFAOYSA-N 378.432 2.568 0 40 GFAB CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 10667518 WUIQETGIKOKITN-UHFFFAOYSA-N 384.807 2.506 0 40 GFAB CCOc1cc(CCC(=O)N2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)on1 100753394 ZKCLDNIDTUNPHK-CZUORRHYSA-N 381.436 2.645 0 40 GFAB CCn1c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)nc2ccccc21 36390523 PXPDXPJGNJKKLG-UHFFFAOYSA-N 384.461 2.848 0 40 GFAB O=C1[C@@H]2C(OCOCc3ccccc3)[C@H]3C(=O)[C@@H]4[C@H]5C=C[C@H]6C5C5[C@H]([C@@H]16)[C@H]2[C@@H]3[C@H]54 104289714 IMOUDSNFOYCYFR-BJNYYHFPSA-N 388.463 2.730 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N[C@@H]3CCc4ccccc43)C(=O)[C@H]2C)cc1 12867092 XQIXXKODWRQEAA-DNVCBOLYSA-N 377.444 2.956 0 40 GFAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NC[C@H]1CCN(c2ccccc2)C1 46952429 VERXALFPWOYLTN-JKSUJKDBSA-N 384.446 2.696 0 40 GFAB COc1cc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(OC)c1 12975594 MFLOYHKBMRUXAZ-MRXNPFEDSA-N 397.475 2.993 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)OC)c2)c1 12920626 QJIYAHMHSRYANO-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB CCc1cc2c(=O)n(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cnc2s1 13011010 SRMNSYOLQOBGPL-OAHLLOKOSA-N 399.472 2.962 0 40 GFAB COc1cccc(C(=O)NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)c1 71404047 DUTHKKPXRNAOEZ-UHFFFAOYSA-N 395.459 2.927 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 39998389 AOWNTXOVSZJJRT-HNNXBMFYSA-N 382.441 2.926 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4472920 PKAUUKDVIYWDQE-GGNLRSJOSA-N 381.428 2.770 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2CCC23CCC3)sc(C(=O)N(C)C)c1C 72308791 QCLGHGCAEVIAGW-UHFFFAOYSA-N 393.509 2.502 0 40 GFAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1csc(-c2ccccn2)n1 65726460 GJYXUQHRNAGQJJ-QGZVFWFLSA-N 379.441 2.879 0 40 GFAB CCOCCCNC(=O)[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 4571704 OIKYUGQANUNWGF-FQEVSTJZSA-N 397.475 2.659 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 14239773 DAGMXIXBCXUQCN-UHFFFAOYSA-N 398.459 2.638 0 40 GFAB Cc1noc(C2CCN(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)CC2)n1 65817324 RMOMTQXJHXTBBF-UHFFFAOYSA-N 398.511 2.850 0 40 GFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(OC)c2)CC1 4749081 VHGMINWVWSMEER-UHFFFAOYSA-N 397.475 2.876 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)n2N)cc1 7061702 ZHQYYOZCLLNAHZ-KBPBESRZSA-N 389.525 2.654 0 40 GFAB C[C@@H]1Cc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2N1S(C)(=O)=O 15636995 AZWBKNFZYAILTB-SNVBAGLBSA-N 377.491 2.595 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21 15976898 TXJIGCYOXLTBTE-UHFFFAOYSA-N 391.349 2.659 0 40 GFAB O[C@H]1CCCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 7653315 MGNZRUQLGFVWLY-VQTJNVASSA-N 377.431 2.888 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 9550008 OGIKJPLDTBDVCU-LBPRGKRZSA-N 397.431 2.866 0 40 GFAB O=C1[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1c1ccccc1 68942105 ZDTMORGBOLANAS-CQSZACIVSA-N 384.379 2.789 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 69921179 XOAJQINNZCOPNK-SJORKVTESA-N 376.522 2.628 0 40 GFAB Cc1ccc(CNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113956633 BTYYDZLNRFPVHG-ZDUSSCGKSA-N 382.432 2.744 0 40 GFAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007582 ZEWVCNJNVZIEMO-IBGZPJMESA-N 390.480 2.774 0 40 GFAB C[C@H](C(=O)Nc1cc(NC(=O)[C@@H](C)n2cccn2)c(F)cc1F)n1cccn1 95965888 VIXPQYFLEXAFDZ-VXGBXAGGSA-N 388.378 2.757 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 9974719 BNTQFKRBWJOZHW-INIZCTEOSA-N 394.537 2.853 0 40 GFAB COc1cccc(N(CCCC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)c1 113967129 IDBSSTVZUXWFAM-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1F 62022747 SPBBWQXLTYONSB-HNNXBMFYSA-N 380.427 2.965 0 40 GFAB Cc1ccc(OC[C@@H](O)Cn2cnc3ccc(Br)cc3c2=O)cc1 32854244 SGLANGAHFIGJOX-AWEZNQCLSA-N 389.249 2.907 0 40 GFAB O=C(Nc1ccccc1)c1ccc(N2CCN(C(=O)c3ccsc3)CC2)nn1 523112500 JENNOSJBOJHOMM-UHFFFAOYSA-N 393.472 2.753 0 40 GFAB Cn1ccc2cc(C(=O)N3CC4(C3)OCC[C@@H]4COc3cccnc3)ccc21 306123536 APQSPUKDGXMYLV-GOSISDBHSA-N 377.444 2.883 0 40 GFAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N2CCc3nc[nH]c3C2)CC1 1565524919 XQKWSXUCXMRZOA-WKILWMFISA-N 391.475 2.511 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3ccc4[nH]c(C)nc4c3)C2)c1 72392175 OSXSIVIIPPEYHF-OAHLLOKOSA-N 378.432 2.981 0 40 GFAB Cc1cc(NC[C@@H]2COc3ccccc3O2)n2nc(-c3nccn3C)cc2n1 72338492 AFCPVJAVSRTBLJ-CQSZACIVSA-N 376.420 2.690 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC([C@H]2C[C@H](N)CCO2)CC1 566849933 HTFCYEVVFUXUQP-DENIHFKCSA-N 396.535 2.777 0 40 GFAB CSc1nc(C)cc(NCCOC(=O)c2snnc2-c2coc(C)n2)n1 223861971 BBIQTRNDQBPFKU-UHFFFAOYSA-N 392.466 2.591 0 40 GFAB Cc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)c(I)c1 225028164 BLSPJGSRZZBFKK-UHFFFAOYSA-N 394.212 2.629 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223102714 OOSDSDRSZXVLKT-CYBMUJFWSA-N 396.896 2.992 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CCCNc1nc(C)cc(C)n1)CC2 85879126 MLPXGVDMRPEACU-UHFFFAOYSA-N 384.480 2.888 0 40 GFAB biogenic CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 224313022 JVXGZSBQEJDDSR-UHFFFAOYSA-N 378.839 2.689 0 40 GFAB O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 572094086 IXIYCAJWDBKMCP-AYRXBEOTSA-N 380.429 3.368 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCc1cccc(CN2CCCC2)c1 224637233 SVESUCWZBPLKBF-UHFFFAOYSA-N 378.469 2.909 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)Nc3cnc(N(C)C)nc3)s2)cs1 77196691 QPYZEQQREPSIEV-UHFFFAOYSA-N 381.508 2.837 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223002112 VPEFHGBPGMRCOS-SNRMKQJTSA-N 386.521 2.681 0 40 GFAB CCSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)n1 41097356 KGUZSCCRHZYURB-CYBMUJFWSA-N 379.869 2.756 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c(Cl)c1 96395427 AQKLOKNRWDBEOE-CQSZACIVSA-N 397.870 2.874 0 40 GFAB COc1cccc(CNC(=O)c2nc3c(o2)CN(C(=O)c2cccc(F)c2)C3)c1 96147315 YJQSRKOWPBJALC-UHFFFAOYSA-N 395.390 2.908 0 40 GFAB CCCCc1nnc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)s1 95473980 FTYBWRRAXLVYOK-CYBMUJFWSA-N 387.465 3.000 0 40 GFAB O=S(=O)(C1CC1)N1CCCN(CCOc2ccc(C(F)(F)F)cc2)CC1 585080539 LQGCWKFWPRTGEB-UHFFFAOYSA-N 392.443 2.584 0 40 GFAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CCOC2)C1)c1ccccn1 247486441 KURHUPKLZRHODK-LQWHRVPQSA-N 380.492 2.696 0 40 GFAB CN(C)S(=O)(=O)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1 257303410 SHCLNOOPVNJITM-UHFFFAOYSA-N 389.525 2.671 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)ncn1 257294348 QTRYQWRYJPEWAH-OAHLLOKOSA-N 380.452 2.577 0 40 GFAB CCOc1cc(C(=O)N2CCC(S(C)(=O)=O)CC2)cc(OCC)c1OCC 96098213 CGYXZGNHAXCGOR-UHFFFAOYSA-N 399.509 2.532 0 40 GFAB COc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)cc1 96121747 AZRGFFFFOKUQKM-UHFFFAOYSA-N 398.488 2.810 0 40 GFAB COC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 57364056 QOHIWZSWCGVOQM-UHFFFAOYSA-N 387.867 2.887 0 40 GFAB CCOc1ccc(NC(=O)C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 41189620 RTDAQLPAOSMQPD-GOSISDBHSA-N 396.422 2.802 0 40 GFAB CCCn1nccc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119436 GSAYUTAZXPFPNZ-JOCHJYFZSA-N 396.491 2.721 0 40 GFAB COc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cn1 5062395 OLBRQGQHONJJRS-QGZVFWFLSA-N 391.493 2.730 0 40 GFAB CCOC(=O)c1sc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1C 11691394 WATUEZYJGUPSLX-UHFFFAOYSA-N 375.381 2.633 0 40 GFAB COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1OC 11694813 FKIIGMYGMSPYQL-ZNOIYHFQSA-N 393.447 2.954 0 40 GFAB O=C(Cc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407858 LQIDGSQGFCUGRZ-JKSUJKDBSA-N 393.413 2.889 0 40 GFAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N(C)C 16163213 ZAHRIOMKGHEQDE-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3N3CCCN23)cc1 19166841 ZNHQAQNZJHWOBI-NJYVYQBISA-N 391.471 2.848 0 40 GFAB CCOc1cc2c(cc1CN1CCC[C@]3(C1)OCCc1cnc(C)nc13)OCO2 19532475 FMGFXWMJRFCEMM-JOCHJYFZSA-N 397.475 2.976 0 40 GFAB CC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)CC3)C1 19695950 TYJCQNXOSHKLAH-KRWDZBQOSA-N 396.466 2.782 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3ccc4ncn(C)c4c3)C2)c1 19750447 SCFUKSDHAVYBLY-OAHLLOKOSA-N 378.432 2.683 0 40 GFAB Cc1ccccc1N(CC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 159254123 DIBLIOAAKYWWEF-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1cc(F)ccc1N1CCN(C)CC1 522959331 DGLLUEBNESQSKK-CQSZACIVSA-N 381.455 2.945 0 40 GFAB CCN1C(=O)C[C@H](c2nc(-c3cnn(C(C)(C)C)c3)no2)[C@H]1c1cnn(C)c1C 664856977 VVPZZNFYEQNKBT-YOEHRIQHSA-N 397.483 2.807 0 40 GFAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(C(=O)c1cccc(Oc3ccccc3)c1)C2 19713012 OQABXESEVXXMHD-AUSIDOKSSA-N 393.487 2.761 0 40 GFAB CCCCn1nc(C(=O)N(CCOC)[C@H]2CCSC2)c2ccccc2c1=O 36396248 DXFZBUIMVOFIHW-HNNXBMFYSA-N 389.521 2.791 0 40 GFAB NC(=O)NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3431934 NGESKURQBUADHB-UHFFFAOYSA-N 383.791 2.907 0 40 GFAB CC[C@@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)NC(N)=O)n3C)cc2C1 5776351 CPFQKYRAJROQHS-NXEZZACHSA-N 393.538 2.734 0 40 GFAB Cc1nnc(CN2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n1C 1888843606 GIUDVPHADOTXCU-UHFFFAOYSA-N 382.434 2.886 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4noc5c4CCCC5)C[C@@H]3C2)nn1 1888875928 LFEQBQLYMIKRDE-GJZGRUSLSA-N 395.507 2.849 0 40 GFAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccccc5C)C[C@@H]4C3)nn12 1888922095 UFZIQTTVBGHIMV-HOTGVXAUSA-N 391.479 2.595 0 40 GFAB COc1cccc2sc(N3CCN(c4cc(C)nc5ccnn45)CC3)nc12 1888930441 DFLNHULGXRHCOA-UHFFFAOYSA-N 380.477 2.983 0 40 GFAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2cccn(C)c2=O)C1 1889130411 BSDHKOYFIJLVLX-CYBMUJFWSA-N 394.397 2.540 0 40 GFAB O=C1NCCOCCCCN(Cc2cscn2)CCOc2ccccc21 2037989206 ZGACQVXJMOXSMR-UHFFFAOYSA-N 375.494 2.564 0 40 GFAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccc2c(c1)OCO2 4105701 ABZTXSHCWDNBKR-MUUNZHRXSA-N 399.403 2.755 0 40 GFAB CCc1nnc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1-n1cccc1 4518603 XITOTAGAGOHHSY-UHFFFAOYSA-N 384.465 2.643 0 40 GFAB CCCCn1c(SCc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 4624535 HIGXMKQIECBACY-UHFFFAOYSA-N 376.457 2.665 0 40 GFAB COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(C)cc3)c2=O)cc1 6805133 BBMYMXINIDCCMN-UHFFFAOYSA-N 387.439 2.972 0 40 GFAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1CCc1nc(-c2ccccc2)no1 33309714 GGQRQPLWHLRNSS-UHFFFAOYSA-N 388.383 2.932 0 40 GFAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]32)c1 101260806 WDQZGRMUVKQWMB-MSOLQXFVSA-N 380.404 2.818 0 40 GFAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225600830 SSPVWILHHUIBST-CMDGGOBGSA-N 398.894 2.871 0 40 GFAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)Nc1ccccc1 49009348 IOLSNJUFDRLEIT-UHFFFAOYSA-N 379.807 2.850 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NCc1nc(C2CCC(F)(F)CC2)no1 575616827 NHNMAHMOONRYEJ-UHFFFAOYSA-N 392.362 2.587 0 40 GFAB Cn1cc(-c2cncc(N3CCN(c4ncc(Cl)cc4Cl)CC3)n2)cn1 2298076108 VSSBVOUCKJKGRX-UHFFFAOYSA-N 390.278 2.906 0 40 GFAB Cc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)CCC(=O)O)cc2)s1 17080616 MZQKTHMGSBLTEP-SECBINFHSA-N 394.478 2.769 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1OC 40080134 DTWIYWPDADAAFA-INIZCTEOSA-N 384.480 2.928 0 40 GFAB COc1ccc(-c2nc(C)c(C(=O)N[C@H](C(=O)O)C(C)C)s2)cc1OC 40309048 DIMLWSAXSMBOHD-AWEZNQCLSA-N 378.450 2.975 0 40 GFAB biogenic COC(=O)c1ccc(/C=C/C(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1 21322252 IRCSFNZLJACWPI-FIIODCPWSA-N 382.460 2.914 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccc2c(c1)OCCO2 32850983 JEKSRQGTYUDFDC-UHFFFAOYSA-N 375.469 2.614 0 40 GFAB Cn1cc(I)c(C(=O)Nc2nc3ccccc3s2)n1 682854 RDULIOAXWPVRPB-UHFFFAOYSA-N 384.202 2.887 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3N)n2C)c1 1364479 NHRPGQARVDRIOR-UHFFFAOYSA-N 396.476 2.754 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1Cl 61720581 LHIOOFFDTMSLMG-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 3982473 SHIBSTMRCDJXLN-GGIHJJFESA-N 390.520 2.575 0 40 GFAB in-vitro CCSCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)ccc1OC 4065396 CIPLVFZEGFCTEE-INIZCTEOSA-N 396.534 2.793 0 40 GFAB COc1ccc(CNC(=O)CSc2nnnn2-c2ccc3c(c2)CCC3)cc1 4968156 PNAIKKNLLBOKHY-UHFFFAOYSA-N 395.488 2.568 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(Cl)cc1 6233655 QRGNRRWWHXKTAY-CYBMUJFWSA-N 396.896 2.640 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 6789719 BKZGLOPOGNSVPF-RMKNXTFCSA-N 392.427 2.511 0 40 GFAB CCc1ccccc1NC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C 6800379 GXUHYVMKSOTEOX-UHFFFAOYSA-N 375.475 2.812 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1 24174822 WVWLCLGUWXEHBT-UHFFFAOYSA-N 387.457 2.977 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2F)cc1NC(C)=O 24441298 WEUCPJYJTULKEB-UHFFFAOYSA-N 384.404 2.753 0 40 GFAB CS(=O)(=O)Nc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1 12544737 HMVDSPAFYZMJQE-UHFFFAOYSA-N 391.474 2.634 0 40 GFAB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)NC[C@H]4CCCO4)cc3C2=O)cc1 8471893 YBQJURLBLFOONJ-QGZVFWFLSA-N 392.411 2.599 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@H]1COc2ccccc2O1 24942279 FZKWKXFHYYXKPC-QAPCUYQASA-N 393.447 2.810 0 40 GFAB COc1cc(-c2nn(CN3C[C@@H](C)O[C@H](C)C3)c(=S)o2)cc(OC)c1OC 25157468 CLSPITKJKCEVNV-VXGBXAGGSA-N 395.481 2.965 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 12540232 PMQYADDRUOJBLF-HNNXBMFYSA-N 395.850 2.590 0 40 GFAB CC[C@@H](NC(=O)CSC(F)(F)F)c1ccccc1OCC(=O)N(C)C 55598602 AOGTWPUBXZEIRR-GFCCVEGCSA-N 378.416 2.974 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20454797 YRDXOXZWBPTVBK-UHOSZYNNSA-N 376.522 2.921 0 40 GFAB CCCN(CCC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 57379318 FGCZSMVBBFUIAA-UHFFFAOYSA-N 388.917 2.623 0 40 GFAB COc1cc(OC)nc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)n1 57568297 QOFMRGGSIGQOSO-LLVKDONJSA-N 387.465 2.735 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(C)c1 12652665 PWHKHNHQFPRVLW-UHFFFAOYSA-N 394.474 2.771 0 40 GFAB CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22271127 LXSGBDDZPHZQFR-LJQANCHMSA-N 390.505 2.501 0 40 GFAB Cc1c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc(O)c(Cl)cc12 2122472 QOLLHVWXVJIFRI-INIZCTEOSA-N 381.812 2.618 0 40 GFAB biogenic COc1cc2cc(CCC(=O)NCc3ccccc3F)c(=O)[nH]c2cc1OC 36174727 VXTDFPFQNXOZFR-UHFFFAOYSA-N 384.407 2.933 0 40 GFAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccc2c(c1)OCO2 2265538 JFVJOKJRSFPXKS-UHFFFAOYSA-N 395.419 2.797 0 40 GFAB O=C(O)c1cccc(CN2C(=O)S[C@@H](Nc3ccccc3C(=O)O)C2=O)c1 2200893 GQCYLVQJKNWZTR-CQSZACIVSA-N 386.385 2.717 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 12799532 VDIRVSZHAMIEGV-UHFFFAOYSA-N 397.412 2.675 0 40 GFAB CC(C)CN1Cc2c(C(=O)NC(C)(C)C)ncn2-c2ccccc2S1(=O)=O 101734104 FCXAQODOBJCIOT-UHFFFAOYSA-N 390.509 2.561 0 40 GFAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc(N2CCOCC2)cc1 3397935 VVTFUZPCSVPXKE-UHFFFAOYSA-N 387.509 2.572 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1OC 3313961 YHJCSMNRODVJGP-UHFFFAOYSA-N 384.182 2.855 0 40 GFAB COC(=O)c1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)s1 11181297 SCKFMFFDIIYFTB-CQSZACIVSA-N 376.434 2.749 0 40 GFAB CC(C)c1nc2oc3c(N(C[C@@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 2434921 VAFZXGPDYAKHPW-CHWSQXEVSA-N 384.480 2.951 0 40 GFAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 2502211 AKFSMLYJKZHSPM-ZCFHBRKKSA-N 375.424 2.988 0 40 GFAB CCOC(=O)/C=C/C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1 10747612 HAZGJTAMXCRQCN-CMDGGOBGSA-N 388.445 2.795 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1F 22335407 HIBXVDFNHMWIDG-KRWDZBQOSA-N 376.453 2.786 0 40 GFAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 2636552 MVNHZRSKGZVHQU-LBPRGKRZSA-N 386.404 2.846 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 12857427 OGVWOCYNNVWDPZ-UHFFFAOYSA-N 393.443 2.584 0 40 GFAB CCC(C)(C)C1CCC(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 12919242 DNMZYJUJUDJLPY-UHFFFAOYSA-N 399.543 2.847 0 40 GFAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OC(C)=O)cc1 3636526 KKQSXKDHUBNQJB-BZNIZROVSA-N 388.445 2.824 0 40 GFAB NC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408751079 WETFXVDIADSZEE-PHIMTYICSA-N 375.475 2.553 0 40 GFAB COc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 39655680 FDPGPPYTIIKLCP-IBGZPJMESA-N 395.411 2.742 0 40 GFAB COCCOc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cn1 65585311 NSUBXJNVSPZGEO-HNNXBMFYSA-N 388.443 2.894 0 40 GFAB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1 14182325 OAWWNRYYSXKWSI-LBPRGKRZSA-N 382.482 2.584 0 40 GFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCc1ccc(F)cc1 6473437 VJEJVPFLPCLYTJ-UHFFFAOYSA-N 384.432 2.847 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 6679017 ZUZDQLUSBAHOKT-UHFFFAOYSA-N 381.816 2.676 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCCn2c(=O)oc3ccccc32)nc1C 14865988 LKMUYGKVRHPWKV-UHFFFAOYSA-N 389.433 2.955 0 40 GFAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCC4)ccn3n2)cc1 67262455 UECJKSBQDCBELJ-UHFFFAOYSA-N 380.448 2.574 0 40 GFAB COc1cccc(-c2cc3c(N4CCC(C(=O)NC5CC5)CC4)nccn3n2)c1 67263415 UIELOSNGEKYXAT-UHFFFAOYSA-N 391.475 2.900 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(S(C)(=O)=O)ccc1C 15816921 RBJYGDOVTIRKHG-UHFFFAOYSA-N 375.446 2.791 0 40 GFAB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2Cl)CC1 408628000 PFXWOFBXECFASU-UHFFFAOYSA-N 378.885 2.812 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccccc1F 18237033 RGNXEPOLKWGXCC-LJQANCHMSA-N 380.423 2.585 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCC1 8749978 PBXPPFFCHOSTQE-SECBINFHSA-N 384.807 2.648 0 40 GFAB Cc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c2c(=O)[nH]n(C)c2n1 95949170 LAWHVSDYPUYWPO-UHFFFAOYSA-N 378.354 2.561 0 40 GFAB O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl)Nc1ccc(F)cc1 409042721 OLZZBJPWQQZATB-RIYZIHGNSA-N 389.770 2.677 0 40 GFAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 306123078 AEAPQBYISPDYGV-UHFFFAOYSA-N 395.438 2.754 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NC[C@@](C)(O)CCc3ccccc3)CC2=O)c1 61975820 MIECLOZNKCAHQR-MBSDFSHPSA-N 396.487 2.548 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(C)c1C 224034305 XYQODIAJQASWFA-UHFFFAOYSA-N 398.506 2.509 0 40 GFAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 225747372 NGEGGVYNURDQQT-FUMNGEBKSA-N 389.411 2.677 0 40 GFAB COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1N1C(=O)CCC1=O 225765896 NBYWUEXPMQTSIU-UHFFFAOYSA-N 392.477 2.517 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220642016 OLEFSRSSSMERLN-IBGZPJMESA-N 390.505 2.865 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c(OC)n1 572211119 JFYJQMSBCNULDB-CQSZACIVSA-N 375.856 2.895 0 40 GFAB CCN(c1ccc(C(=O)NCCCOC)cc1)S(=O)(=O)c1ccccc1 224353497 ASBCRZJOTUOOOL-UHFFFAOYSA-N 376.478 2.668 0 40 GFAB COc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCOCC2)cc1 225583875 BEGLFMYANOIOBL-UHFFFAOYSA-N 385.416 2.846 0 40 GFAB CC(C)c1n[nH]c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)n1 95480750 DCMCIPJKBYKCIW-UHFFFAOYSA-N 397.888 2.764 0 40 GFAB O=C(c1cnc2ccccc2c1)N1CCCn2nnc(CN3CCCCC3)c2C1 96259587 FLLLOYUMQLSJGR-UHFFFAOYSA-N 390.491 2.858 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 247847464 FKCUFWNDTOMWDZ-PDPLOHQNSA-N 397.519 2.543 0 40 GFAB CCN1C(=O)C[C@H](C(=O)NCCN2CCC(F)(F)CC2)[C@@H]1c1cccc(C)c1 585138789 YFDZWGSKPAQGTM-HKUYNNGSSA-N 393.478 2.752 0 40 GFAB CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCCN2S(=O)(=O)N(C)C)s1 257222068 DRSZTSVIMZFIEX-ZDUSSCGKSA-N 395.554 2.742 0 40 GFAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 260921127 OMIFSMXLCBXSCY-AHRSYUTCSA-N 399.564 2.596 0 40 GFAB CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2ccc(CC(=O)O)cc2)cc1 630232409 JWCJPJGHCSFHBX-UHFFFAOYSA-N 382.460 2.858 0 40 GFAB O=S(=O)(N[C@H]1CCC[C@H]1Cc1ccccn1)c1ncccc1Br 585091995 ZZSISIIOKGXZJM-WFASDCNBSA-N 396.310 2.929 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 36022346 VXULPLXBLUXKAP-LLVKDONJSA-N 384.910 3.000 0 40 GFAB Cn1cc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)cc(Br)c1=O 79110506 AIADZCUZQSDDQC-LBPRGKRZSA-N 391.269 2.548 0 40 GFAB CC(C)(C)c1nnc2sc(SCC(=O)Nc3cccc(F)c3)nn2c1=O 5143877 KGBPELKPYMBJRD-UHFFFAOYSA-N 393.469 2.713 0 40 GFAB COCCCNS(=O)(=O)c1cc(Br)ccc1Br 11635186 QYLDROCTAZWVGX-UHFFFAOYSA-N 387.093 2.526 0 40 GFAB CCCc1nn(CC(=O)N[C@H](C)c2ccccn2)c(=O)c2cc3ccsc3n12 12117615 RVYBHSCYHPCDIM-CYBMUJFWSA-N 395.488 2.936 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)nc1 12171448 XNFWRPULAOXZBH-UHFFFAOYSA-N 396.274 2.920 0 40 GFAB O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17079073 SIYJMJVGBOAACW-AWEZNQCLSA-N 387.427 2.725 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)COc3ccccc3)ncc2C1 19018207 LYDKSEVWUBISJG-FQEVSTJZSA-N 394.475 2.514 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@@]3(C)C2=O)cc1 19169295 HADLUEXZIMKMLH-XQBPLPMBSA-N 377.444 2.621 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 19211494 VLWBYHYXKZYGKG-IBGZPJMESA-N 386.521 2.689 0 40 GFAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCC(Oc2ccc(F)cc2)CC1 19583355 OWYVPXMNMSVRML-UHFFFAOYSA-N 389.399 2.958 0 40 GFAB Cc1nc(CN(C)C(=O)Cc2ccc(F)cc2)nc2c1CCC(=O)N2CC1CC1 19695744 UPQDNXFWFKUHJX-UHFFFAOYSA-N 396.466 2.814 0 40 GFAB O=C(CN1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1)N1CCCC1 19703667 JTQAYQCWUHAZKL-IBGZPJMESA-N 386.471 2.930 0 40 GFAB Cc1nc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)N(C)C 19763118 FUJFFGLGPTXASW-INIZCTEOSA-N 386.471 2.884 0 40 GFAB CCOc1ccc(/C=C2\SC(=O)N(CN3CCOCC3)C2=O)c(OCC)c1 19797502 DRXFRFTXOCTIOB-BOPFTXTBSA-N 392.477 2.810 0 40 GFAB COc1ccc(C(=O)N2CCC(c3noc(-c4cnccn4)n3)CC2)c(OC)c1 12187363 PIQKCENOPFQWMM-UHFFFAOYSA-N 395.419 2.564 0 40 GFAB O=C1NC[C@]2(CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)Oc2ccccc21 19376003 AWYYMGPZBDWDFS-QHCPKHFHSA-N 389.455 2.894 0 40 GFAB CN(C)c1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 19585517 KIRWDXGUBQEDNB-OAHLLOKOSA-N 396.520 2.734 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](c4ccn(C)n4)C3)CC2=O)cc1C 575615290 CEBNYFMIPIOGQP-ZWKOTPCHSA-N 380.492 2.796 0 40 GFAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc(F)cc1F 1540910 NBJDVOPRROXLGG-UHFFFAOYSA-N 386.402 2.883 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCn1c(=O)oc2ccccc21 15096457 QIVUTKMWHRJISF-OAHLLOKOSA-N 391.431 2.785 0 40 GFAB CN(c1nc2ccccc2[nH]1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565523568 QYZJYDZUFJQORB-UHFFFAOYSA-N 376.468 2.623 0 40 GFAB Cc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4Cl)CC3)[nH]c2=O)cc1 4033693 QHDVJMVERUYHKD-UHFFFAOYSA-N 396.878 2.814 0 40 GFAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1 4753905 OJPZISJWDCTKFN-KRWDZBQOSA-N 395.312 2.771 0 40 GFAB COc1ccccc1NC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 15081104 HUNVGBKDDVLBHU-SFGWALBWSA-N 393.443 2.818 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NCc1cc(-c2ccccc2F)on1 36662436 BJYZMSZXFYRTGN-UHFFFAOYSA-N 388.420 2.961 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](Oc2cc(C)nc(C)n2)C1 575610077 SCDVXOFNAHCEGQ-INIZCTEOSA-N 391.493 2.643 0 40 GFAB CCCCC(=O)/N=c1\sc2cc(C(=O)OCC)ccc2n1CC(=O)OC 100876187 LELBFPAKFBMFFJ-HNENSFHCSA-N 378.450 2.670 0 40 GFAB C[C@H]1CN(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C[C@@H](C)O1 32895707 BIZGDUHSXVFRKW-AHIWAGSCSA-N 384.498 2.920 0 40 GFAB O=C(Cc1ccsc1)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 21769603 JJFIYULFKHEZPD-MRXNPFEDSA-N 387.457 2.969 0 40 GFAB CSc1nnc(SCc2nc(CC(=O)NCc3ccccc3)no2)s1 32913780 VVLLWMAKDXPUFB-UHFFFAOYSA-N 393.519 2.794 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 21961110 AZKHCEZFSUBRAT-AWEZNQCLSA-N 392.443 2.773 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-n2cnnn2)ccc1Cl 12321775 RSBYDAXNJAYMPK-UHFFFAOYSA-N 386.799 2.535 0 40 GFAB COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3nc(C)cs3)cc12 12390976 DIUQCOUWUSIRNI-JTQLQIEISA-N 388.449 2.707 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCCc1ccccc1C(F)(F)F 54197100 KMXAALKIDABCIR-UHFFFAOYSA-N 375.350 2.774 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccccc2F)N2NC(c3ccc(Cl)cc3)=NC2=N1 940653 COZPNHGSBVLPRD-MRXNPFEDSA-N 383.814 2.916 0 40 GFAB CCOC(=O)Cn1c(C)nc2c(C(=O)Nc3ccccc3)sc(C)c2c1=O 978784 DBVBWWMGNMKZJB-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 54590127 HBLIFUYRZCSWIL-UHFFFAOYSA-N 395.484 2.695 0 40 GFAB CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)C)cc21 4399944 QQCPUBGYTCYFJF-UHFFFAOYSA-N 376.453 2.671 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC)cc2)CC1=O 7881521 DAQUITZBWDBWBZ-MRXNPFEDSA-N 397.427 2.873 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)s1 10613278 WKHYOGJMTGCDJS-UHFFFAOYSA-N 382.551 2.831 0 40 GFAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCN(c2ccccn2)CC1 12513532 DQWWWZBBFVQQEP-UHFFFAOYSA-N 379.508 2.751 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 8039535 JWUDTOASQBAZBC-KRWDZBQOSA-N 394.427 2.732 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(F)cc1F 57355801 YDRAIBAKHHMGGN-UHFFFAOYSA-N 376.359 2.837 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491394 IKWBJAVGIUYCCH-LLVKDONJSA-N 391.880 2.782 0 40 GFAB Nn1c(COc2ccccc2)nnc1SCC(=O)N1CCCc2ccccc21 3262982 OICXPXGEFSPPSW-UHFFFAOYSA-N 395.488 2.642 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCCOc1ccc(Cl)cc1)C2=O 10054921 VECFNDHGESPZMA-UHFFFAOYSA-N 394.855 2.763 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 71285444 NDZPIEBSUCWQQH-IAGOWNOFSA-N 379.416 2.580 0 40 GFAB CCC(=O)N1CCc2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc21 44919442 WBPRXZQBVWNRII-UHFFFAOYSA-N 391.515 2.986 0 40 GFAB CCOc1ccc(N2C(=O)C[C@H](NNc3nc4ccccc4s3)C2=O)cc1 2272881 DLNPDSVWVHPIMM-HNNXBMFYSA-N 382.445 2.944 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 12751220 KEHZTBAMECBLGF-AWEZNQCLSA-N 382.416 2.864 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2N)cc1 2393662 MLFDEDRLFJNYFR-UHFFFAOYSA-N 383.477 2.961 0 40 GFAB C[C@@H](C(=O)Oc1cccc2cccnc12)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100637085 FXERADPWPCNZNP-WDANSMFJSA-N 388.423 2.582 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c(OC)c1 3339232 WXJHFQPXUOPWPJ-AWEZNQCLSA-N 397.431 2.808 0 40 GFAB CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1 3333571 UKISEBWGHRCMNJ-LJQANCHMSA-N 390.480 2.852 0 40 GFAB COCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2OC(F)F)c1 29943296 XDKWTNWSXVUKFF-UHFFFAOYSA-N 379.363 2.924 0 40 GFAB CCCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1 60645288 HVBVRAQNLWMEMY-UHFFFAOYSA-N 386.496 2.693 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN(C)Cc2ccsc2)c1C 12875477 XGCPDMFKXVWNNN-UHFFFAOYSA-N 395.550 2.686 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)Cc1nn(C)c(=O)c2ccccc12 9157431 OFYXNMVQPBWIJX-UHFFFAOYSA-N 390.487 2.735 0 40 GFAB COc1ccc(CCNC(=O)CSc2ccccc2C(=O)O)cc1OC 3491485 BIIHWIBFBGHQMU-UHFFFAOYSA-N 375.446 2.853 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 12932890 MEFSOWGTCCWCSB-HRCADAONSA-N 399.491 2.719 0 40 GFAB O=C(CCc1ccc(O)c(Cl)c1)NC1CCN(C(=O)c2ccco2)CC1 96004281 JCWKLEWILSBCHF-UHFFFAOYSA-N 376.840 2.992 0 40 GFAB O=C(NC1CCN(c2ccccc2)CC1)N1CCCN(CC(F)(F)F)CC1 97216011 ZHBADBUFWMTPRU-UHFFFAOYSA-N 384.446 2.935 0 40 GFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113956971 MDXKFJURMWMRDX-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB CCC[C@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 14015306 KQCAJJQRUSUBFV-YOEHRIQHSA-N 385.489 2.771 0 40 GFAB Cc1cccc(C(=O)N2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)c1 306126139 DOAVFFREUNTLPH-QHCPKHFHSA-N 386.455 2.801 0 40 GFAB COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O 5450872 XTYNQPYNRANPFH-QGZVFWFLSA-N 390.321 2.799 0 40 GFAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3OC)cc2)CC1 6517684 VCHDTZYGKDRNCU-UHFFFAOYSA-N 398.532 2.964 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1NC(C)=O 4813827 HXXVYRDZCPBXHY-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc3c(c1)CCC3)CC2 7272941 IFIJLCRTOFSQGC-UHFFFAOYSA-N 395.455 2.934 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2cccc(-n3cnnn3)c2)cc1 15652030 LAGWLQGKFBOCNM-VZCXRCSSSA-N 376.445 2.623 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(OC(F)F)c1 15717955 YNDMQMYJWOLIBA-UHFFFAOYSA-N 396.415 2.741 0 40 GFAB Cc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7758827 RWNSOZMCGOCVOW-UHFFFAOYSA-N 395.864 2.994 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1Cl 18266125 KGYMMTHSOQBQLR-NSHDSACASA-N 381.215 2.858 0 40 GFAB NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 8877159 NMGOZJMHTJDQPR-UHFFFAOYSA-N 397.294 2.515 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1 9858511 ULXGSDVSTXINTL-LLVKDONJSA-N 399.882 2.908 0 40 GFAB COc1ccc(CNC(=O)CSc2nc3c4ccccc4ncn3n2)cc1 95946467 PEFJGTHCIRXGIB-UHFFFAOYSA-N 379.445 2.695 0 40 GFAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1 67896629 OVNVFLONAWZGPF-YLJYHZDGSA-N 376.497 2.978 0 40 GFAB biogenic,in-vitro COc1cc2ncn(CC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(=O)c2cc1OC 20763551 VDERAWINFXGSAJ-JLCFBVMHSA-N 399.491 2.841 0 40 GFAB CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219696368 VBOMUSMKWJAYCN-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)NCCCCCC(=O)O)C(=O)[C@H]2C1 408685149 QEXZSFXQVXFYDA-RDJZCZTQSA-N 398.459 2.907 0 40 GFAB COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701544 FZECIAXZDKRWLL-BKTGTZMESA-N 393.447 2.954 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 79440115 ZQYJWWYDVQSJDU-PBHICJAKSA-N 376.453 2.732 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cn2ccnc2)cc1 30939916 ALHRDTRZGPVAMR-UHFFFAOYSA-N 390.443 2.656 0 40 GFAB O=C(O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1 34791436 NJEYMDMYJANFGC-UHFFFAOYSA-N 391.430 2.714 0 40 GFAB COC[C@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217665532 OOWRPSGRQIPPGP-KBPBESRZSA-N 392.477 2.871 0 40 GFAB O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31236411 SKCMADBMTIIFFF-MRXNPFEDSA-N 396.578 2.879 0 40 GFAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(CC3CC3)CC2)C1 72372431 SALASTHEATXZON-OAQYLSRUSA-N 397.563 2.933 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 72354075 XZAQFFLCRDMQJY-IBGZPJMESA-N 383.467 2.962 0 40 GFAB C[C@H](C(=O)N1CCC(C(=O)c2cccnc2)CC1)c1n[nH]c(=O)c2ccccc12 72346681 GEXUMTQREWQNSJ-AWEZNQCLSA-N 390.443 2.543 0 40 GFAB Cc1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)on1 48356542 PVGSDTSNXLLUNI-UHFFFAOYSA-N 389.408 2.853 0 40 GFAB COc1cccc(CNC(=O)CNC(=O)c2ccc(Br)s2)c1 48179209 SYCUGYXVKPXSBF-UHFFFAOYSA-N 383.267 2.565 0 40 GFAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223128718 WTBSVULHMNFJOQ-PMACEKPBSA-N 399.564 2.769 0 40 GFAB COC(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc1 225232256 OMBXOZJHWGLOMC-UHFFFAOYSA-N 384.505 2.819 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44933580 SCXDIDYYHTUJHQ-BEFAXECRSA-N 388.489 2.790 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224645015 CTVGNVHYSMOJDQ-UHFFFAOYSA-N 381.425 2.901 0 40 GFAB COc1ccccc1C(=O)NC[C@H]1Cn2cc(-c3ccccc3OC)nc2CO1 96112876 HLBMEADUYFPTOS-HNNXBMFYSA-N 393.443 2.896 0 40 GFAB biogenic,in-vitro Cc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257306990 SWUQXBCPOLBDIT-SFHVURJKSA-N 399.476 2.978 0 40 GFAB CCN(CC)S(=O)(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257203221 APDCBFHIBOHJST-UHFFFAOYSA-N 389.525 2.986 0 40 GFAB CC(=O)N1CCC(Cc2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 257333599 YCGCGDNVEARZSC-FQEVSTJZSA-N 394.475 2.846 0 40 GFAB CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)Cn1ccc2ccccc21 257290070 QBLLRXBAYLIGKI-QHCPKHFHSA-N 393.531 2.966 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)C1 260508074 PNNXMSDXSFPGLT-RDJZCZTQSA-N 394.537 2.775 0 40 GFAB Cn1c(-c2ccc(NC(=O)CN3CCCC[C@H](O)C3=O)cc2)nc2ccccc21 644345691 FUEOBHMFHLDKBM-IBGZPJMESA-N 392.459 2.552 0 40 GFAB CC1(C)OCC[C@@H]1CNC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 664623607 IUCNNASBUDEYRB-ZBFHGGJFSA-N 387.459 2.513 0 40 GFAB Cc1nccc(N2CCN(C(=O)Nc3ccc(O[C@H]4CC4(F)F)cc3)CC2)n1 668077029 CCPKQILMEAKRSV-INIZCTEOSA-N 389.406 2.926 0 40 GFAB Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 96025630 RMCNSYJSSLCUSU-UHFFFAOYSA-N 396.472 2.814 0 40 GFAB CCOc1cccc(C(=O)N2CCC[C@@H](N(C)C(=O)c3cncnc3CC)C2)c1 1615610967 HQJSPQLVMKDDPE-QGZVFWFLSA-N 396.491 2.815 0 40 GFAB Cc1cccc(C)c1OCCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 47201528 IMNHIRXKAOMIEO-UHFFFAOYSA-N 394.493 2.782 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615157943 OUDDFTWFVVDJAV-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB COc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 15144321 GVFBAQZKFLLBBB-AWEZNQCLSA-N 399.447 2.635 0 40 GFAB Cc1ccc(C)c(OCCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1 15940717 JPIBQLHASLBGPT-UHFFFAOYSA-N 396.487 2.964 0 40 GFAB CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 19528006 SQEGAQVJNXYMCQ-NRFANRHFSA-N 394.498 2.782 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nc([C@@H]4CCCNC4)ncc3C1)CCCC2 19581287 FCIXVGODIDTUJY-OAHLLOKOSA-N 380.492 2.922 0 40 GFAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1 19593530 SYHXLFMSMQNHJQ-AWEZNQCLSA-N 379.407 2.709 0 40 GFAB CC[C@H](C)N1CCc2nc3sc(C(=O)N(CC)CC)c(C)c3c(=O)n2CC1 12241841 OBRFTFDBFMATJN-ZDUSSCGKSA-N 390.553 2.905 0 40 GFAB COc1ccccc1CC(=O)N1CC[C@@H](c2cc3nc(C)c(C)c(O)n3n2)C1 12255125 KIPRPYKWADJABN-MRXNPFEDSA-N 380.448 2.619 0 40 GFAB CN(C(=O)CCCN1CCCC1=O)C1CCC2(CC1)CNCc1ccccc1O2 19586712 ACVPKEIZXCFUCP-UHFFFAOYSA-N 399.535 2.711 0 40 GFAB Cc1cccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 3443116 LETXECOXCZBZCY-UHFFFAOYSA-N 379.416 2.588 0 40 GFAB O=C(C1CCN(CC(=O)N2CCc3ccccc32)CC1)N1CCC(F)(F)CC1 1888879635 VZGQCFCBCPXXOY-UHFFFAOYSA-N 391.462 2.545 0 40 GFAB O=C(c1cnccn1)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888906219 IKDWFFMAVZTNRA-AWEZNQCLSA-N 379.395 2.614 0 40 GFAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC3(CC2)OCCO3)cc1 24999013 YRSRAAQZKNERLU-UHFFFAOYSA-N 376.453 2.942 0 40 GFAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CC)o2)cc1 2494217 IKWABRHZRYFMKU-UHFFFAOYSA-N 380.470 2.695 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)COc1ccccc1F 5075949 UMXSNZONZCVABC-UHFFFAOYSA-N 378.425 2.692 0 40 GFAB CCOc1ccc(Cc2nnc(Nc3ccc(OC)c(OC)c3)[nH]c2=O)cc1 5154460 ZFTMRNNOROJNHS-UHFFFAOYSA-N 382.420 2.915 0 40 GFAB O=C(NCc1cccc2ccccc12)NCc1nnnn1-c1cccc(F)c1 9616047 XHHCAEMHPPPCJK-UHFFFAOYSA-N 376.395 2.954 0 40 GFAB COC(=O)c1ccccc1SCC(=O)NCc1ccc2c(c1)CCC(=O)N2 15108502 UEUDBFPKWYOBQP-UHFFFAOYSA-N 384.457 2.766 0 40 GFAB O=C(CCc1ccccc1Br)NCCCc1cnc2ncnn2c1 225643385 FUDAWFWBVQFVFC-UHFFFAOYSA-N 388.269 2.568 0 40 GFAB O=C(c1cc(-c2ccccc2)on1)N1CCN(C[C@H](O)c2cccs2)CC1 49031382 DPEHAXIYFRIZKM-KRWDZBQOSA-N 383.473 2.895 0 40 GFAB O=C(NCCCN1CCOCC1)c1cc(-c2ccncc2)nc2ccccc12 21326072 MHGRSJLXCZOBBE-UHFFFAOYSA-N 376.460 2.749 0 40 GFAB CC(C)CN1CCO[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 32763586 AREDRZPJBZJMNT-LJQANCHMSA-N 387.549 2.749 0 40 GFAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc2c(c1)OCCCO2 52689369 OZKMPPVQSRCDFR-PVAVHDDUSA-N 388.464 2.593 0 40 GFAB Cc1nn(CC(C)C)c2sc(C(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)cc12 32986134 YRGWRTIGTUPGOR-INIZCTEOSA-N 398.488 2.955 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NC(=O)COc2ccccc2)cc1OC(F)F 32905773 RCXMZGLSEQBDKB-GFCCVEGCSA-N 394.374 2.819 0 40 GFAB Cn1nc(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c2ccccc2c1=O 22088753 RISDEKQOXUVSDG-UHFFFAOYSA-N 399.454 2.789 0 40 GFAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2cccc3ccccc23)CC1 22788338 VCMKOKXBIDEGJZ-WIYYLYMNSA-N 381.520 2.641 0 40 GFAB CCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2cc(Br)ccc21 1432954 XYHBRPKLEUOQAV-QGZVFWFLSA-N 375.222 2.671 0 40 GFAB O=C(O)c1cc(Br)cc(S(=O)(=O)N2CCc3ccccc32)c1 3313209 HQTCPUCNRPRTAR-UHFFFAOYSA-N 382.235 2.899 0 40 GFAB CN1CCCN(C(=O)c2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 3334926 UMSVYCIHBIWETB-UHFFFAOYSA-N 376.416 2.888 0 40 GFAB CCCn1nc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c2ccccc2c1=O 3368831 JXULZTPIFZVVNZ-HNNXBMFYSA-N 393.443 2.841 0 40 GFAB COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1C(=O)OC 3396883 VXDPDZOLWRGVLX-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB COc1ccc(C(=O)COC(=O)CSCc2c(C)noc2C)cc1OC 3452611 FJONZUCALPATSD-UHFFFAOYSA-N 379.434 2.968 0 40 GFAB CCOc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)c1 4984867 VEZMTNWDSBWVEY-IBGZPJMESA-N 393.443 2.675 0 40 GFAB CN1C(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)C12CCCCC2 5423010 CVHGADMBOSQGQX-UHFFFAOYSA-N 381.379 2.823 0 40 GFAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)c1ccc[nH]1 5959998 LYWKZKASJXLSGS-UHFFFAOYSA-N 378.384 2.963 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)cc1 6502337 PESWVSSXXOAXDT-UHFFFAOYSA-N 396.831 2.928 0 40 GFAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N1N=CC[C@@]1(O)C(F)(F)F 6925607 PGWLSSJMYDTFDB-GFCCVEGCSA-N 384.280 2.638 0 40 GFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3cc(F)ccc3s2)cc1 7443511 GZHNGWMMJBJJIR-UHFFFAOYSA-N 395.433 2.924 0 40 GFAB C#CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(CC(=O)OC)C1=O 8091979 IQQOSLQNGNKEQR-JYRVWZFOSA-N 381.862 2.726 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(Cl)cc1 8983537 GNQPPDFXNDPCLB-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB COc1ccc(CNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 9355361 NKDXXODSAHVGII-UHFFFAOYSA-N 396.365 2.986 0 40 GFAB CCOc1ccc(NC(=O)NCCn2nc(-c3ccncc3)ccc2=O)cc1 11745287 KUBNQPAJVOHWKV-UHFFFAOYSA-N 379.420 2.526 0 40 GFAB CN1C[C@H](C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)CC1=O 12087452 LCNRGMJIUROXKJ-MRXNPFEDSA-N 397.523 2.729 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccc3ccccc3n2)n1 12133978 GTGWQDHJATUDIC-DETIRCLXSA-N 390.487 2.658 0 40 GFAB CN(CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccccc1N1CCCC1 12523473 XIDJBXHAEHTKLE-LJQANCHMSA-N 395.503 2.675 0 40 GFAB COc1ccc(O)c(C(=O)c2cnn(C(=O)Cn3c(C)nc4ccccc43)c2)c1 12532350 DGBYSGKFBYSZCB-UHFFFAOYSA-N 390.399 2.827 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 12557196 OZZYYORCAPVGQR-UHFFFAOYSA-N 392.502 2.666 0 40 GFAB O=C(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 12736454 PWKAMPVSFFYLLV-UHFFFAOYSA-N 390.358 2.553 0 40 GFAB CC[C@H](C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 12883409 VIZINIYQOKUJPM-PTAUBWNISA-N 396.491 2.666 0 40 GFAB biogenic COc1ccccc1CCC(=O)N1CC[C@@H](c2cc3nc(C)cc(O)n3n2)C1 13225632 MMNOROXHQSJRNM-MRXNPFEDSA-N 380.448 2.701 0 40 GFAB Cc1cccc(OCc2nnc(SCC(=O)Nc3nccs3)n2C)c1 14122116 CGZYODBHDFVQIE-UHFFFAOYSA-N 375.479 2.890 0 40 GFAB Cc1ccccc1OCCN(C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 16147688 QXQLLMKXYMJDTQ-UHFFFAOYSA-N 380.444 2.795 0 40 GFAB CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 16596762 JCIMBRHROONOQG-AWEZNQCLSA-N 381.432 2.515 0 40 GFAB Cc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 16960609 BGLAOQVQPNDTNE-UHFFFAOYSA-N 379.507 2.807 0 40 GFAB O=C(NCc1cccnc1)c1cc(-c2ccncc2)c(N2CCOCC2)s1 19339655 DGOSXHJYWBVRLD-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 19345691 WASVLMXOIAJXGE-OAQYLSRUSA-N 376.504 2.907 0 40 GFAB CC(C)n1c([C@H]2CCCN(C(=O)Cc3nnc(N)s3)C2)nc2ccccc21 19661262 UHSZSNNJIQQKPO-ZDUSSCGKSA-N 384.509 3.000 0 40 GFAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 20455777 JWGCXVKUOJHSOL-HNNXBMFYSA-N 378.469 2.913 0 40 GFAB Cc1nn2c(=O)cc(CSc3nnc(NC(=O)CC(C)C)s3)nc2s1 20983435 ZXZSSLGHNRZYJL-UHFFFAOYSA-N 396.523 2.588 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)ccc1F 22767380 HGUUOLFVDDQUJI-QGZVFWFLSA-N 384.498 2.547 0 40 GFAB Cc1cc2ncn(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c2cc1C 22815921 YNIYBCUIJBDXPD-UHFFFAOYSA-N 386.477 2.542 0 40 GFAB CCOc1ccc(-n2c(SC[C@H]3CNC(=O)O3)nc3ccccc3c2=O)cc1 23055076 FOWICHAUJNPVKX-OAHLLOKOSA-N 397.456 2.985 0 40 GFAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[C@@H]1Cc1ccccc1 23055182 DXPGFJZVQMFCPX-LJQANCHMSA-N 384.501 2.975 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)n2c1nc1ccccc12 23382040 GSXLDPYRVXWLMC-KRWDZBQOSA-N 382.395 2.738 0 40 GFAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCC3CC3)n2)cc1 32072583 PERWJJXJKFNPNZ-UHFFFAOYSA-N 381.388 2.717 0 40 GFAB CCNc1nnc(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 32777218 FJNJPMFTIPZNEA-UHFFFAOYSA-N 395.529 2.940 0 40 GFAB CC(C)c1nnc(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)o1 32832071 XDVRVSGEMAQZOB-UHFFFAOYSA-N 391.501 2.841 0 40 GFAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(C(=O)NC2CC2)c1 32858067 HSTBAJBMQSBBCR-LJQANCHMSA-N 380.444 2.966 0 40 GFAB O=C(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)NC2CC2)cc1 32878806 LGQUMAGGGXAERI-UHFFFAOYSA-N 382.388 2.981 0 40 GFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc2c1CCCC2 32901709 QIIXJJLRPSJCNJ-ZDUSSCGKSA-N 383.473 2.631 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c(F)cc1F 32908043 HKJHSZCEDPVDQL-CQSZACIVSA-N 378.331 2.588 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@H]1CCc2ccccc21 32956994 KBHAUPCRYQPXCC-FQEVSTJZSA-N 399.516 2.628 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 33736562 JPFUYJJEXSFFJQ-ZDUSSCGKSA-N 384.395 2.869 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc4nccnc34)C2)c1 35684068 IVQBOKPKEVUTMF-GOSISDBHSA-N 382.445 2.749 0 40 GFAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2nc3ncccn3n2)cc1 36618785 ODSVHIOEXBTORA-UHFFFAOYSA-N 387.325 2.890 0 40 GFAB CN(C)c1cccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 38946854 HZBHKRUKNGIISR-RTWAWAEBSA-N 395.478 2.980 0 40 GFAB O=C(c1ccccc1F)N1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 40067092 SAIWYQCTQZQTAY-FXAWDEMLSA-N 387.499 2.765 0 40 GFAB O=C(c1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382460 MZIINBINWINXHN-DLBZAZTESA-N 396.418 2.643 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1Cl 44225479 FKWRDJUCUUSSAI-MRXNPFEDSA-N 381.810 2.976 0 40 GFAB CSc1nccn1-c1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1 44525123 BSRMNNXGAYDWOF-UHFFFAOYSA-N 394.504 2.783 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)NCc1cccc(OC)c1OC)CC2 56445431 YQSNMNZYTWEAFT-UHFFFAOYSA-N 386.448 2.989 0 40 GFAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)c1 57486078 NNNJNUPIHXZNAI-UHFFFAOYSA-N 399.472 2.722 0 40 GFAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc2ccc(OC(F)(F)F)cc2s1 57851412 UWAPMIWZJXFBCU-QMMMGPOBSA-N 394.396 2.958 0 40 GFAB CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccc1F 58328890 CQPZQVUNQCQFBM-UHFFFAOYSA-N 382.482 2.877 0 40 GFAB CCN1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1 62581603 IDQBMPQHNDOFID-UHFFFAOYSA-N 379.526 2.962 0 40 GFAB CCCc1nc2c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c(=O)n2n1 69350516 RWGHQQJHGFNDIS-UHFFFAOYSA-N 389.459 2.622 0 40 GFAB Cc1ccc2c(c1)CCCN2C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 71795521 MTKMAWLWXWTRSW-QHCPKHFHSA-N 389.455 2.668 0 40 GFAB CC(C)(C)c1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N[C@@H]3CO)cc2)cc1 72321053 WEAHTKVDSALCRU-UYAOXDASSA-N 382.460 2.785 0 40 GFAB biogenic,in-vitro Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339117 XIQNBFWWRVWDLR-VSSLKZNWSA-N 394.475 2.930 0 40 GFAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cccnc3)C2)c1 72358709 YCBZHEJZJXHPPA-GOSISDBHSA-N 387.443 2.657 0 40 GFAB Cc1nonc1NC(=O)CN1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362429 AWZLDJPANKVTIX-HNNXBMFYSA-N 394.435 2.778 0 40 GFAB CN1CCn2c(nnc2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 72372098 GCQLIXQACJBJER-UHFFFAOYSA-N 392.507 2.544 0 40 GFAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)Cn2cccn2)C1 72384405 MZVCIEGTXRVDLB-INIZCTEOSA-N 378.436 2.575 0 40 GFAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1cc(C2CC2)on1 77200898 ALNBBGZHJYEDBW-UHFFFAOYSA-N 383.448 2.599 0 40 GFAB COC[C@@H](O)CN(C)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 78996030 ONVPZMLWAANPKC-AWEZNQCLSA-N 395.253 2.716 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)C[C@@H]1C(=O)N(C)Cc1ccccc1 79067250 VIHHPJMCBZITOL-SFTDATJTSA-N 378.472 2.899 0 40 GFAB Cc1ccc(CN2CCO[C@]3(COCCN(Cc4csc(C)n4)C3)C2)s1 96049818 OUOQSTNJVGBPLZ-IBGZPJMESA-N 393.578 2.925 0 40 GFAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCc2nc3ccccc3[nH]2)[nH]n1 96118830 RQSJHYWGFCSWJT-UHFFFAOYSA-N 377.452 2.666 0 40 GFAB CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Cc3ccccc3)CC[C@@H]12 96145288 JYUCJJKZTOHRCB-NFBKMPQASA-N 392.503 2.576 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCc2ccccc2C1 96231213 LTUZLVUACJXWON-IBGZPJMESA-N 395.434 2.611 0 40 GFAB COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc3[nH]c(C)nc3c2)CC1=O 96232659 MTQZYOFHDNOMKK-MRXNPFEDSA-N 392.459 2.910 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccccc1F 96518283 JRBLVSMMGNCOSV-JTQLQIEISA-N 390.601 2.771 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccc3[nH]ncc3c2)C1 97000989 PTOZWZJOTVGVOM-SFHVURJKSA-N 377.404 2.699 0 40 GFAB CCc1nnc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)s1 100306222 CPEZDFKUCPUWGR-GVAFMPQTSA-N 394.456 2.664 0 40 GFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3N3CCCN23)cc1 100736014 VIWZXRJBDUVHCE-UFYCRDLUSA-N 377.444 2.539 0 40 GFAB CC(C)c1ccc2c(c1)CCCN2C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103165103 RXAQVBONOYADEY-USNOLKROSA-N 378.472 2.896 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218546577 YQANDJHLJQZUBG-JENIJYKNSA-N 378.421 2.791 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1cccc(I)c1)[C@@H]1C[C@H]31 222246184 MHPWIUHQCRHJIL-JNWWKETESA-N 391.208 2.849 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223873040 XBCXBPWLTWCMBE-KBPBESRZSA-N 377.462 2.743 0 40 GFAB COc1ccc(Cl)cc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccccc1 225165768 MUUZLLVNGFQMLJ-HNNXBMFYSA-N 383.853 2.665 0 40 GFAB CCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCOCC2)cc1)C1CC1 225724096 HRPUWFNOHGNIDH-NRFANRHFSA-N 376.497 2.931 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 244914794 BECVGFSTCZLJAV-HXUWFJFHSA-N 388.489 2.700 0 40 GFAB CCc1cc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)on1 257218035 DBPOCRPADFEVQY-HXUWFJFHSA-N 389.427 2.553 0 40 GFAB O=C(CCc1ccccc1Br)NCc1cn(-c2ccncc2)nn1 390830046 IKXSONGSHCTOFP-UHFFFAOYSA-N 386.253 2.674 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CCn4nc(C5CC5)cc4C3)CC2=O)cc1C 390831183 QHXBJHZVJXWOJI-KRWDZBQOSA-N 378.476 2.773 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)CC1 408627205 YJWYEINZSDBMSV-UHFFFAOYSA-N 394.537 2.889 0 40 GFAB CCOc1ccc(NC(=O)C[C@H]2C(=O)OCN2C(=O)OCc2ccccc2)cc1 408736851 JDMFSPIUTWTAGE-SFHVURJKSA-N 398.415 2.936 0 40 GFAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 409347463 QBQVAACOVZEHLC-UHFFFAOYSA-N 398.444 2.823 0 40 GFAB O=[S@](Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc2c(c1)OCCO2 518647852 MKVHRTXIMSSMQS-HHHXNRCGSA-N 386.385 2.544 0 40 GFAB O=C(N[C@H]1C[C@H](C(=O)O)C1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 570698923 LJEUUBXFWRUJDS-BPNCWPANSA-N 385.247 2.577 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCc2cncc(-c3ccnn3C)c2)n[nH]1 575616512 MPHCPJJLGKCLGN-UHFFFAOYSA-N 388.431 2.811 0 40 GFAB CN1CCN(CCOc2ccccc2NC(=O)c2coc(CC3CC3)n2)CC1 585079941 JTPCVSFUQKXVPR-UHFFFAOYSA-N 384.480 2.506 0 40 GFAB O=C(Nc1ccc(F)c(N2CCOCC2)c1)c1cccc(Cn2cncn2)c1 585123968 UBKFYCYZJRANNV-UHFFFAOYSA-N 381.411 2.554 0 40 GFAB COc1ncc(Br)cc1CN1CC2(CCOCC2)CC[C@H]1CO 625760697 DCSUDAIIJFISJT-HNNXBMFYSA-N 385.302 2.606 0 40 GFAB CC1(C)Cc2cccc(C(=O)N3CCCNC(=O)[C@@H]3Cc3ccccc3)c2O1 653851427 UFHYSDVRYHZVLR-IBGZPJMESA-N 378.472 2.974 0 40 GFAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)c2cc[nH]c2)CC3)c1 1146884531 SNLHNHFWVCHALF-UHFFFAOYSA-N 396.472 2.973 0 40 GFAB CN(CCCNC(=O)[C@]1(O)CCCN(Cc2ccccc2)C1)Cc1ccccc1 1587447947 UPUZDJMXVIROEI-DEOSSOPVSA-N 395.547 2.652 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161476 YOTSAMZRYYEHTA-QFIPXVFZSA-N 382.435 2.793 0 40 GFAB CC[C@@H]1CN(C(=O)c2ccc(C)cc2F)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594970 LVRKUMOJTARGLJ-VGUOSERISA-N 392.515 2.704 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775974765 OYEQMBGTQOYSSG-UHFFFAOYSA-N 396.834 2.664 0 40 GFAB O=C([C@H]1CN(Cc2csc(C3CCCC3)n2)CCO1)N1CCSCC1 1888863661 MRSIFZCAQWVCAM-MRXNPFEDSA-N 381.567 2.577 0 40 GFAB O=C(NCc1ccc(F)cc1)N1CCC(COc2ccc3nccn3n2)CC1 1888910671 MSMMEDRJPPIVBZ-UHFFFAOYSA-N 383.427 2.869 0 40 GFAB CCn1cnc2c(N3CCN(c4nc5c(OC)cccc5s4)CC3)ncnc21 1888930632 UDYFAOCHJGETHK-UHFFFAOYSA-N 395.492 2.791 0 40 GFAB O=S(=O)(c1cccnc1)N1CC[C@@H](COc2cccc(C(F)(F)F)n2)C1 1889186892 GKEXBSIRYODQRM-GFCCVEGCSA-N 387.383 2.585 0 40 GFAB Cc1cn2nc(OCC3CCN(C(=O)c4cc(C)c(F)cn4)CC3)ccc2n1 2298064597 MZHDDRLCJCGJNF-UHFFFAOYSA-N 383.427 2.811 0 40 GFAB CCOc1ccc(-c2nnn(CC(=O)Nc3cccc(OC)c3)n2)cc1OCC 932006 QEVITPSZBNZUJS-UHFFFAOYSA-N 397.435 2.785 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC(C)(C)CC(=O)O)cc2)no1 1028678 WCLFPJFZEWJJNS-UHFFFAOYSA-N 395.437 2.613 0 40 GFAB CC(C)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 1297618 POZQTWYQUZJTRN-CPNJWEJPSA-N 389.480 2.773 0 40 GFAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1CCCO)c1ccccc1 3455223 FPCZTPWRGGSEJT-OAHLLOKOSA-N 397.500 2.748 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C 3482765 ODQVXOIYOFFGHZ-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)cc1 4070676 KRMCGOSBJRUKAI-QGZVFWFLSA-N 380.383 2.748 0 40 GFAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)c1ccc2c(c1)OCO2 4224588 JMQREXFJZWBXGT-HHHXNRCGSA-N 381.413 2.616 0 40 GFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)C2=Cc3ccccc3CC2)cc1 5256743 MFNSDTBOUBUNPU-UHFFFAOYSA-N 386.473 2.883 0 40 GFAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 5317395 VQWCBZFSMCWDPJ-QFIPXVFZSA-N 394.427 2.670 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)cc1 5482951 VEIKVLLJMASCGX-UHFFFAOYSA-N 384.417 2.695 0 40 GFAB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc1 5505013 LQVWKLMYCFWTSY-GOSISDBHSA-N 395.415 2.748 0 40 GFAB CCOCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 5602565 KRYZTKIBZWNGHJ-UHFFFAOYSA-N 392.477 2.652 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 5677876 CHEKOBUEMOQIJR-LRTDBIEQSA-N 385.464 2.965 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCc3ccccc32)ccc1Cl 5853092 HUFUOZVFTVNIOT-UHFFFAOYSA-N 393.896 2.592 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 6348323 XAAQHRDTTVJQNT-UHFFFAOYSA-N 384.388 2.617 0 40 GFAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)Cn2cnc3ccccc3c2=O)c(C)c1 6547032 IWSJGPWMPVSTAR-MRXNPFEDSA-N 393.443 2.892 0 40 GFAB CCCn1nnc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)n1 6593907 QHPPZJBMOCFONG-UHFFFAOYSA-N 396.476 2.789 0 40 GFAB COc1cccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)c1 6743244 KINAKMGFRQTQHR-OAQYLSRUSA-N 393.443 2.945 0 40 GFAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C 6810404 MCZCKWQHPWVGRH-IRXDYDNUSA-N 391.489 2.880 0 40 GFAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 6975436 WCWDGLDVLRFEJG-VIFPVBQESA-N 398.535 2.847 0 40 GFAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1N 6999407 XNJFAYQGAUIECR-UHFFFAOYSA-N 392.463 2.931 0 40 GFAB COC(=O)c1cc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1OC 7214746 BJQCIVAYQOKJQM-UHFFFAOYSA-N 389.473 2.839 0 40 GFAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 7820760 NROBUVHWFSUOTJ-WAYTWBJWSA-N 384.407 2.914 0 40 GFAB COc1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1F 7979808 BHQXOWRUNRESMA-FQEVSTJZSA-N 388.395 2.819 0 40 GFAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CCOc1ccc(Cl)cc1 8532543 QFOQUTIWYVNQBJ-GFCCVEGCSA-N 388.855 2.847 0 40 GFAB O=C(CCC(=O)N1CCOCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 9691172 STYRXNHBEBBQAL-IBGZPJMESA-N 376.453 2.732 0 40 GFAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CC=CCC1 9882619 LILPPCUYRNQOHK-INIZCTEOSA-N 375.428 2.870 0 40 GFAB CCNC(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@H]1CCCO1 11770246 ZUPNDXQGUGSOMX-GFCCVEGCSA-N 395.550 2.736 0 40 GFAB NC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 11835334 GCEVUQYYIOUHRG-UHFFFAOYSA-N 384.417 2.659 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)n1 12088655 ORBIARYHXWPYCP-KRWDZBQOSA-N 376.464 2.909 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1 12145142 DOGYVOAHDXKEQD-HNNXBMFYSA-N 380.448 2.867 0 40 GFAB O=c1[nH]c(=O)n(-c2ccccc2Cl)c2c1CN(CCc1ccccc1)CN2 12376295 ZVMFPGGSIHLLGN-UHFFFAOYSA-N 382.851 2.607 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)c1 12420779 LQPAUOMOUBDJNJ-LJQANCHMSA-N 382.445 2.749 0 40 GFAB CCOC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1 12440448 IXSYGCAWLWCOSX-UHFFFAOYSA-N 392.456 2.742 0 40 GFAB CCc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)c1 12521908 BYOHVUYYJSHJSE-LJQANCHMSA-N 377.488 2.951 0 40 GFAB Cc1nccc(-c2sc(C3CCN(C(=O)CN4CCCC4=O)CC3)nc2C)n1 12668026 BUCRPQIHBTXIMC-UHFFFAOYSA-N 399.520 2.545 0 40 GFAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)c2cccs2)CC1 12760152 PJKYWFOBCAUDQM-LBPRGKRZSA-N 379.432 2.811 0 40 GFAB Cc1cccc(OCCNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1 12778188 MDNSCUHEJKDQSA-UHFFFAOYSA-N 381.407 2.797 0 40 GFAB Cc1cccc(-n2nnnc2SC[C@@H]2CN(Cc3ccccc3)CCO2)c1 12796444 VRZKVRXOUPIHQY-IBGZPJMESA-N 381.505 2.964 0 40 GFAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)c1ccc(F)c(F)c1 12862411 LDVSNFIZNUJQOX-LLVKDONJSA-N 397.399 2.643 0 40 GFAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)NCc1ccccc1 12880383 XTHXTQGBOPYWQI-LHSJRXKWSA-N 396.468 2.864 0 40 GFAB CC(=O)c1cccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)c1 12902935 ZSJYMYGSVJJVKZ-UHFFFAOYSA-N 377.400 2.563 0 40 GFAB biogenic COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1 12971997 ZRCUTVNMMKHEKI-ZDUSSCGKSA-N 379.888 2.538 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCCCC1 13005550 VUWKLUUNYHDQDM-GOSISDBHSA-N 391.537 2.979 0 40 GFAB COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1 13121978 OHVDRDXOXGFHNM-IAGOWNOFSA-N 399.476 2.805 0 40 GFAB CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 13151689 FMJOKPRBXJEFND-WKRCXCSHSA-N 376.449 2.630 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CCCn2nc(-c3ccco3)ccc2=O)c1 13698508 DLRDBYKGQZVEPM-UHFFFAOYSA-N 380.404 2.881 0 40 GFAB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(F)cc1)S(C)(=O)=O 13715314 JIHHDJFLWQXGBB-IBGZPJMESA-N 390.480 2.955 0 40 GFAB Cn1cccc1C[C@H]1[C@H](O)c2ccccc2S(=O)(=O)N1CCc1ccccc1 13731338 QGJDOFSWHKMZPX-RBBKRZOGSA-N 396.512 2.917 0 40 GFAB Cc1ccc(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 13847292 FWYCCCOLQVIBQI-UHFFFAOYSA-N 390.461 2.909 0 40 GFAB COc1ccc(OCCNC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1 14198381 FIMSAPREDPWQDR-KRWDZBQOSA-N 391.855 2.643 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](CC)C(=O)Nc2cc(C)on2)c1C 14248350 LSEGPFOHWVJFFD-LBPRGKRZSA-N 377.397 2.679 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1cc2ccccc2o1 14348969 KVASTDNQLOUCTH-LLVKDONJSA-N 391.449 2.536 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1 14707144 QDPZDGHDADTNLH-CQSZACIVSA-N 391.493 2.689 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1F 15718771 ZGIUVNVKIYJQRF-UHFFFAOYSA-N 382.844 2.932 0 40 GFAB CC(=O)N1CCN(Cn2nc(-c3ccco3)n(-c3ccccc3)c2=S)CC1 16077590 ILYBRHIMODOVFY-UHFFFAOYSA-N 383.477 2.785 0 40 GFAB O=C(Cc1csc(-c2ccsc2)n1)NN1C(=O)NC2(CCCCC2)C1=O 17115140 IFNZGCXQVHOKPS-UHFFFAOYSA-N 390.490 2.700 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 17316394 JIXKFMYKJGTSTO-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19556789 OQLDYGGEGQEGRY-JLTOFOAXSA-N 396.539 2.586 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1C 19571113 HFJIZPQZQXXZQO-SFHVURJKSA-N 394.519 2.730 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O 19718210 HRHLHUYVXZBDMD-UHFFFAOYSA-N 397.866 2.943 0 40 GFAB Cc1nc(CC(=O)N2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cs1 19748147 IFAKAQSBQYXQRC-MRXNPFEDSA-N 396.516 2.683 0 40 GFAB Cc1n[nH]c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1=O 19795434 SHLLXORMEVSOKN-UHFFFAOYSA-N 397.429 2.663 0 40 GFAB Cc1ccc(C2=NN(C(=O)[C@H](O)c3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 20070055 HTZMUQDCBPVADW-SJLPKXTDSA-N 378.350 2.916 0 40 GFAB CC/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20329392 ITEXRTSECOQWKY-FOCLMDBBSA-N 384.823 2.772 0 40 GFAB CC(=O)c1cccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)c1 20484208 WWJGIZCAMLSGRH-UHFFFAOYSA-N 388.489 2.622 0 40 GFAB COc1ccc(CN2CCN([C@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1F 22912247 NICLWKPMDAIJOT-FGTMMUONSA-N 391.531 2.845 0 40 GFAB O=C(CN1CCSc2ccccc21)NCC1(N2CCOCC2)CCCCC1 23707298 VJXXGHYEGLYMEQ-UHFFFAOYSA-N 389.565 2.750 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)ccc21 24659412 XRZTVUVMQHIDMP-MRXNPFEDSA-N 393.443 2.637 0 40 GFAB CCOC(=O)c1sc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1C 24789540 PLPVIOJLWAYHSM-UHFFFAOYSA-N 392.477 2.881 0 40 GFAB CCOC(=O)c1ccccc1Nc1nnc(SCc2ccccc2)n(N)c1=O 28535693 MCMUTSWCXDYYPI-UHFFFAOYSA-N 397.460 2.565 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 31166386 OQNYMMLELMSGNV-SFHVURJKSA-N 383.945 2.689 0 40 GFAB COc1cc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc(OC)c1 32124011 KLMJHAFKLYLHQF-KRWDZBQOSA-N 383.404 2.823 0 40 GFAB biogenic O=c1c2cnn(-c3ccccc3)c2ncn1Cc1nnc(-c2cccs2)o1 32741479 VWHPTFXLJQIQIA-UHFFFAOYSA-N 376.401 2.742 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)NCCc2cn3ccccc3n2)CC1=O 32893804 JFCHDQZRDDKOGG-KRWDZBQOSA-N 376.460 2.609 0 40 GFAB C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(CC1)OCCO2 32924533 IPKGCAQYDHPLMY-NSHDSACASA-N 388.233 2.721 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 32992721 KFBZTYIMWJTWEH-UHFFFAOYSA-N 394.880 2.832 0 40 GFAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)c1 35312131 UWNYDLFKYGCKFD-UHFFFAOYSA-N 384.436 2.949 0 40 GFAB CCN1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1 39927480 JJAFPWCQVSBYOA-UHFFFAOYSA-N 397.504 2.573 0 40 GFAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 44717740 OZIKEIPEIPKLAF-MRVPVSSYSA-N 389.317 2.889 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)OCCO3)n1 44890442 NCMUPDGNAVHOOF-UHFFFAOYSA-N 378.384 2.573 0 40 GFAB CCNC(=O)c1cc(Br)c(C(=O)NCC)cc1Br 45165126 RWNSFABWBMFUME-UHFFFAOYSA-N 378.064 2.711 0 40 GFAB CCN(CC)CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)cc1 46035694 GQXYPAAHTJOCNN-UHFFFAOYSA-N 392.521 2.894 0 40 GFAB O=C1O[C@H](C(=O)NCCNc2ncc(Cl)cc2Cl)Cc2ccccc21 47162852 BETMPLXLZZSQNJ-AWEZNQCLSA-N 380.231 2.698 0 40 GFAB COCc1nnc(NC(=O)CN2C(=O)c3ccccc3N[C@H]2CC(C)C)s1 49550941 HOEMUCAQASFAMS-CQSZACIVSA-N 389.481 2.563 0 40 GFAB CN(C)C(=O)COc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1 55871758 VTCPJBLCCORJKB-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB O=C(CN1CSCC1=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 56996314 LGQUWLQKUBQURN-UHFFFAOYSA-N 388.399 2.980 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)c1 57432234 JPLPGSWNDZGKIS-UHFFFAOYSA-N 392.477 2.890 0 40 GFAB CN1CCN(CCCNC(=O)c2cc(F)cc3[nH]cnc23)[C@H](c2ccccc2)C1 57993567 PDFOFXVBWAHXPQ-FQEVSTJZSA-N 395.482 2.811 0 40 GFAB CC(C)NC(=O)CN1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 58064349 PJNGRWYYCQKDKL-UHFFFAOYSA-N 396.491 2.546 0 40 GFAB Cc1cc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)ccc1F 67263152 KXMIELKAPPADER-UHFFFAOYSA-N 383.402 2.816 0 40 GFAB COC(=O)c1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1 71769052 APTGFGBXQJBRGC-UHFFFAOYSA-N 397.406 2.618 0 40 GFAB O=C(CNC(=O)c1c(F)cccc1Cl)Nc1ccc2c(c1)NC(=O)CC2 72304234 IXFBTCAYYPLFLX-UHFFFAOYSA-N 375.787 2.732 0 40 GFAB O=C(c1ccco1)N1CCN(C(=O)c2cn[nH]c2-c2cccc(Cl)c2)CC1 72328641 WZSLEPBUGPDTCP-UHFFFAOYSA-N 384.823 2.921 0 40 GFAB CC(=O)c1cccc(OCCCC(=O)N(C)CC(=O)NCc2cccs2)c1 78806597 ZLZVCHMIEBSBIL-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB Nc1ncc(Br)nc1C(=O)OCc1ccc(Br)cc1 78999563 ILMLALVXKUPSAD-UHFFFAOYSA-N 387.031 2.941 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCCC1 80331376 DEBJUBBHZYWNLW-CYBMUJFWSA-N 399.322 2.836 0 40 GFAB O=C(NCC[S@@](=O)c1ccccc1)N1CCN(c2ccccc2Cl)CC1 84558681 AMOCFOIIRFVZCU-SANMLTNESA-N 391.924 2.979 0 40 GFAB O=C(CN1CCC[C@H](C(=O)N2CCCCCC2)C1)N1CCc2ccccc2C1 84581973 HCWVULMNRXTJIQ-NRFANRHFSA-N 383.536 2.686 0 40 GFAB COc1ccc(C(C)=O)cc1C[S@](=O)CC(=O)NCCc1ccc(F)cc1 89292058 AJXAHJUXZWAVES-HHHXNRCGSA-N 391.464 2.645 0 40 GFAB COC[C@H](NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)c1ccco1 95945806 LASGVMHOTJCMRX-INIZCTEOSA-N 392.415 2.639 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1 95988855 QSOPVTUYEPEZEE-ZIAGYGMSSA-N 396.509 2.908 0 40 GFAB CC(C)(O)c1cn(C2CN(C(=O)C(c3ccccc3)c3ccccc3)C2)nn1 95998128 IMJIIUWNZOEFNP-UHFFFAOYSA-N 376.460 2.721 0 40 GFAB CC(=O)c1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)n(C)c1 96001872 IIBKHEHNISXLEZ-INIZCTEOSA-N 396.451 2.769 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCC(c3cc(C)n[nH]3)CC2)c(Cl)c1 96008923 IWROUQPFCOUESE-UHFFFAOYSA-N 397.884 2.726 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1cccc(F)c1)C=C2 96231147 NCYCTZWAHJYANQ-UHFFFAOYSA-N 384.407 2.515 0 40 GFAB O=C(Nc1cccnc1)[C@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1 96260933 UWLCBMIGBLKCRX-LJQANCHMSA-N 379.460 2.803 0 40 GFAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)c1ccccc1 96296404 CXWJLXHLISANMQ-KRWDZBQOSA-N 391.427 2.650 0 40 GFAB biogenic,in-vitro Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cnc1Br 97370315 KFJOBGLWTBWMJK-UHFFFAOYSA-N 396.266 2.838 0 40 GFAB C[C@@H](Nc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O)c1ccccc1 102322164 PJAHFNGNMLEQLP-OAHLLOKOSA-N 379.435 2.921 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102593149 XFZPBVOYCCNMOD-SCNSOLTMSA-N 378.472 2.803 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H]4C3C3[C@H]5[C@@H]6[C@H](C(=O)[C@H]45)C(OCOCc4ccccc4)[C@@H]1[C@@H]6[C@H]32 104289706 IMOUDSNFOYCYFR-KIRBDZNGSA-N 388.463 2.730 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCCC2)s1)c1ccccc1 223123822 JJSBQWOINPCBFX-UHFFFAOYSA-N 380.495 2.792 0 40 GFAB CC(C)Oc1ccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 223335897 MQJALEVFXJIPNX-IBGZPJMESA-N 390.505 2.723 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 223563211 WQBABCSZIXWXBC-OLZOCXBDSA-N 384.324 2.870 0 40 GFAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)C1(c2ccccc2)CCOCC1 238877806 OMRFALUIYIVNFQ-UHFFFAOYSA-N 394.431 2.967 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cncnc3)C2)ncn1 257223319 DWVOKPXUDBYZLX-HNNXBMFYSA-N 378.436 2.633 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccncn3)CCO2)n1 257270174 MTBIEWUZBPFFOY-GOSISDBHSA-N 379.420 2.611 0 40 GFAB O=C(O)c1cc(CN2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)ccc1O 257287534 PQJJPXYFXUFFMT-AWEZNQCLSA-N 393.447 2.725 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)nc(N)n1 257307467 SYSQUIUWFSYXPS-MRXNPFEDSA-N 377.448 2.966 0 40 GFAB CN(C)CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257320756 VYMDLHTVODXTDT-UHFFFAOYSA-N 385.483 2.905 0 40 GFAB COCCOCC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257338064 YVQJKGHVMVAMDW-XANJAXJYSA-N 386.536 2.734 0 40 GFAB O=C(CC1CC1)NCC[C@@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306143897 YQCFJENLHUEWIQ-QGZVFWFLSA-N 381.476 2.705 0 40 GFAB Cc1cc(Br)ccc1NC(=O)c1cn(C[C@H](O)c2ccco2)nn1 390828050 NZNUAOJTNRCJTN-AWEZNQCLSA-N 391.225 2.928 0 40 GFAB COc1ccc(CCNC(=O)N2CCC(C)(N3CCOCC3)CC2)c(Cl)c1 527817729 GQKBGJAWLRPBAA-UHFFFAOYSA-N 395.931 2.787 0 40 GFAB CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 529420896 ZLMKPVOVFDIABY-GOEBONIOSA-N 387.448 2.902 0 40 GFAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5nc6c(s5)CC5(CCOCC5)CC6)[C@@H]4[C@@H]3[C@@H]12 562634460 GYDFPQXAHNDCHM-DKLHWQIPSA-N 396.512 2.694 0 40 GFAB CC(C)(C)c1n[nH]c(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1 575101161 YEDLLGFVGNAQJT-IXDOHACOSA-N 383.496 2.816 0 40 GFAB Cc1cccc(C(=O)N2Cc3cncn3[C@H](C(=O)NCc3cccs3)C2)c1 585095916 BDDCKYDEJVKNIW-SFHVURJKSA-N 380.473 2.767 0 40 GFAB Cc1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)n(C)n1 585099844 HOGHFQVSAUAQEM-OAQYLSRUSA-N 385.512 2.881 0 40 GFAB Cc1ccc(-n2nc(C(=O)N3Cc4nc(C)nc(O)c4C3)c3c2CCC3)c(F)c1 636284295 KBUJYDZHYHZANI-UHFFFAOYSA-N 393.422 2.769 0 40 GFAB C[C@@H]1CN(C(=O)c2cccc(Cl)n2)C[C@]12CCN(Cc1cccnc1)C2=O 1614937925 VALKLYLVWCKWPF-JLTOFOAXSA-N 384.867 2.641 0 40 GFAB NC(=O)[C@H]1C(=O)N(CCC2=CCCCC2)[C@@]23CCOC[C@@H]2[C@H]1c1ccccc1O3 1615246917 IFOPXEFWHTXBMX-OYWYANMWSA-N 396.487 2.730 0 40 GFAB biogenic Cc1cc(OC(=O)CCCCCOC(=O)C(C)(CO)CO)cc(C)c1Cl 2060999720 PAJWNXCMWSDGES-UHFFFAOYSA-N 386.872 2.957 0 40 GFAB Cc1cnc(C)c(OC2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 2087000770 PJIMVTKQRMFJKC-UHFFFAOYSA-N 380.492 2.916 0 40 GFAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(OC)c(OC)c1 904660 SVMBQQXDJSAZCH-UHFFFAOYSA-N 378.498 2.989 0 40 GFAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 79110965 UZZXLHPGEDITKV-UHFFFAOYSA-N 397.859 2.914 0 40 GFAB Cc1cccc2nc(CNC(=O)Nc3ccccc3N3CCN(C)CC3)n(C)c12 79111396 DUJHDMLDRUGIBK-UHFFFAOYSA-N 392.507 2.955 0 40 GFAB C[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 941620 AHPNPPMYNRXBFF-NSHDSACASA-N 386.791 2.506 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cccc(OCC)c2O)C1=O 6648373 LYIWKFDSSSUNNG-UVTDQMKNSA-N 378.450 2.744 0 40 GFAB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(=O)OC)=NN2c2ccccc2)S1 6810032 AWJBUYNTGJHXAK-KRWDZBQOSA-N 393.490 2.811 0 40 GFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6817971 KIFKCWKOYBFSQH-JTQLQIEISA-N 390.446 2.523 0 40 GFAB Cc1c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)oc2ccc(F)cc12 7468985 QXMBPLWZDOQUTQ-UHFFFAOYSA-N 393.392 2.764 0 40 GFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 7871820 CNTHEBQSNQYJLG-HNNXBMFYSA-N 376.478 2.508 0 40 GFAB Cc1cccc(NC(=O)COc2ccc([C@@H]3CC(=O)Nc4ncnn43)cc2)c1C 8320905 PQIYZHNAROPFRI-SFHVURJKSA-N 391.431 2.844 0 40 GFAB CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCNCC2)cc1 1242815 AKSHGIDLVZOMDI-NRFANRHFSA-N 395.503 2.751 0 40 GFAB CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(C(N)=O)s1)c1ccccc1O2 97000390 PWCHRKQTWMZYAL-AWEZNQCLSA-N 385.489 2.565 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 8493277 FJKOITDZFYRMOH-UHFFFAOYSA-N 388.823 2.701 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1C 12526128 KPLGVIZRHQRVMK-UHFFFAOYSA-N 376.434 2.916 0 40 GFAB CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1O 108169688 FGQOMLJJLCROOQ-VHSXEESVSA-N 382.345 2.928 0 40 GFAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC1CCN(Cc2ccccc2)CC1 47934339 FPZIMINEWLVITB-UHFFFAOYSA-N 391.479 2.757 0 40 GFAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccc2c(c1)OCO2 3234749 FKAINQZMALVTGC-UHFFFAOYSA-N 397.305 2.787 0 40 GFAB CCOc1ccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20449969 YNWFWKCZAVJXJW-VAWYXSNFSA-N 378.450 2.722 0 40 GFAB Cc1ccc(NC(=O)CNCc2ccccc2Cl)cc1S(=O)(=O)N(C)C 58142191 CLVLUIVVGVHACX-UHFFFAOYSA-N 395.912 2.627 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 12762033 PYAPDFCQNMEARY-UHFFFAOYSA-N 387.443 2.700 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NOCc2ccccc2)C(C)C)cc1 10318839 OIJBZFJXOOKWKX-SFHVURJKSA-N 376.478 2.546 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)OC)c1 24260660 PXZKMAPDSTVZFB-CYBMUJFWSA-N 390.461 2.802 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3CCSC3=O)cc2)C1 48310374 JKTKIYZPFAXCQE-HZPDHXFCSA-N 375.538 2.950 0 40 GFAB Cc1c(O)ccc2c(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc12 100789788 WAODNQLSDGFDDI-HOCLYGCPSA-N 378.428 2.588 0 40 GFAB biogenic COc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(OC)cc1C 11613835 JUYFMXUMWVDCGD-UHFFFAOYSA-N 395.477 2.550 0 40 GFAB O=c1[nH]nc(SCc2cccc(OCC(F)(F)F)c2)n1C[C@@H]1CCCO1 59832484 AFKDTDGQYHHXAW-ZDUSSCGKSA-N 389.399 2.984 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 12883403 WIFMASPOFKHPPC-IHQJAULKSA-N 376.478 2.651 0 40 GFAB biogenic O=C(CCc1nc(-c2ccco2)no1)N1CCC(c2nnc3ccccn23)CC1 29599325 MDAOYXIEUNRBQI-UHFFFAOYSA-N 392.419 2.711 0 40 GFAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 20041555 NAVZAFNBUHDQTH-AWEZNQCLSA-N 394.468 2.868 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCOCc1ccccc1 12847209 WLLNGPPHIPJWHW-UHFFFAOYSA-N 380.444 2.786 0 40 GFAB CCn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1 3501417 TXSKJHJAVUQBPB-UHFFFAOYSA-N 385.449 2.676 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)OCc2ccccc2C)cc1 12925802 KWFGNSSTBVVPSF-UHFFFAOYSA-N 389.473 3.000 0 40 GFAB COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)c2cnccn2)cc1 3615371 SKSKZTQIULBZRU-IBGZPJMESA-N 376.416 2.937 0 40 GFAB O=C(Cn1c(NCCO)nc2ccccc21)N1CCC(Cc2ccccc2)CC1 13162928 KBQBCEANYFAIGY-UHFFFAOYSA-N 392.503 2.922 0 40 GFAB CC(C)OC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4177282 FMJOKPRBXJEFND-UGNRZPKXSA-N 376.449 2.630 0 40 GFAB O=C(CCc1nnc(-c2ccccc2)o1)NCC(=O)Nc1ccc(F)c(F)c1 39518175 KHQLCCZMTUBIJE-UHFFFAOYSA-N 386.358 2.702 0 40 GFAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)N1CCc2ccccc21 6114333 YKNILLRIUQBHMR-INIZCTEOSA-N 392.455 2.944 0 40 GFAB Cc1ccc(SCC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)c1 14183038 ATXUGNCQSHVELE-AWEZNQCLSA-N 378.519 2.920 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1=O 4524235 XSDDCUPWOIDRQS-UHFFFAOYSA-N 380.400 2.774 0 40 GFAB Nn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cccc(F)c1 5675020 UKSCERUZGYSSAH-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5703984 LPZZFYNNMGKTFG-GJZGRUSLSA-N 397.566 2.748 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 20150676 OMVZTPFBLLHGGN-MSQSPTIYSA-N 396.418 2.516 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113940768 NIYPBWYPKBBHFH-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB Cc1cc(OCC(=O)NC[C@H](c2ccco2)N2CCOCC2)ccc1Cl 15831841 QIOLWEXDDSGNTH-QGZVFWFLSA-N 378.856 2.810 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N(CC)c3ccccc3)c(=O)c12 7553154 QOAXAIUMBMCONL-UHFFFAOYSA-N 383.404 2.528 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 7946135 KLFRTOFITZGIMY-UHFFFAOYSA-N 381.363 2.719 0 40 GFAB COc1cccc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)c1 16960517 HUCCEHJGDAKJBA-UHFFFAOYSA-N 376.420 2.972 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 18029910 RPORGJFGEQPYFQ-QGZVFWFLSA-N 389.415 2.978 0 40 GFAB COC(=O)Cn1ncc2c(N3CCCC[C@@H]3CCc3ccccc3)ncnc21 89400997 HOHHSNHVVJIPKV-QGZVFWFLSA-N 379.464 2.991 0 40 GFAB CC(C)c1ccc(-n2nnnc2Sc2ccc(S(C)(=O)=O)cn2)cc1 557477292 BRNIUSTUPXVWSC-UHFFFAOYSA-N 375.479 2.735 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc(F)c3)n2)cc1 27916543 GJDXVKZBJGGYMP-UHFFFAOYSA-N 388.424 2.830 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCOc2cccnc2)cc1 306123582 AQWUKXOGZYULIH-QGZVFWFLSA-N 388.489 2.639 0 40 GFAB CC(=O)c1cccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 408608617 OGPBLOJSOKDHHR-UHFFFAOYSA-N 380.510 2.884 0 40 GFAB CC(C)CN1CCO[C@@H](CNC(=O)COc2ccc(Cl)c3cccnc23)C1 39983558 QKEUMOXPTNXNEH-HNNXBMFYSA-N 391.899 2.740 0 40 GFAB Cc1nc(Cn2nnc(NC(=O)N3CC4(CCC4)c4ccccc43)c2C)no1 514584283 MIJLSFYGPRDCQQ-UHFFFAOYSA-N 379.424 2.800 0 40 GFAB CCOC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)oc1C 1523431400 BFPGPAHQSNZDKE-NSHDSACASA-N 391.811 2.805 0 40 GFAB Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)Nc4ccccc4)n3n2)n1 71281000 NBYXKPIFTHLWML-UHFFFAOYSA-N 375.436 2.888 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)C2CC2)CCO1 72389123 IXEOBLSUCJQHNK-QFIPXVFZSA-N 382.435 2.528 0 40 GFAB COC[C@@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218464603 JOKFNCKTRSNNSX-SOLBZPMBSA-N 380.849 2.997 0 40 GFAB C[C@@H](CNS(=O)(=O)N1CCC(C(=O)O)CC1)c1c(Cl)cccc1Cl 567468371 MGFRBOCSQOQLHO-JTQLQIEISA-N 395.308 2.728 0 40 GFAB C[C@@H](C(=O)N1CCC(C(=O)c2cccnc2)CC1)c1n[nH]c(=O)c2ccccc12 72346682 GEXUMTQREWQNSJ-CQSZACIVSA-N 390.443 2.543 0 40 GFAB C[C@H](CC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1ccnc1 72327798 KXGGTRQPRFAFOQ-NRJQMVOHSA-N 396.491 2.855 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Cl)cc1OC 224795521 BAPQMYYPAUIKHA-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB CN1CCN(c2ncc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cn2)CC1 224254497 VMHZSHVFWDUHBR-UHFFFAOYSA-N 389.887 2.678 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCO1 321889828 LFDKNAIGFZOUGY-JTQLQIEISA-N 397.147 2.785 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1cccc(F)c1 224799499 HPAUIJZFBJIZCZ-UHFFFAOYSA-N 396.459 2.870 0 40 GFAB CN([C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1)S(C)(=O)=O 224937503 MEGUZWUCPHGWAY-LJQANCHMSA-N 387.505 2.858 0 40 GFAB C[C@@H](CNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 225136498 NUQMQEAJPSZQDE-HNNXBMFYSA-N 378.469 2.507 0 40 GFAB COc1cccc(NC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 225762482 NVHQKIZVUBNKGE-UHFFFAOYSA-N 375.450 2.540 0 40 GFAB CCc1ccc(S(=O)(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cc1 96259140 CTYBRBADVMUVLC-UHFFFAOYSA-N 388.537 2.673 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1c(C)nn(C)c1C 95475109 ACORVAGJWNEJIK-MRXNPFEDSA-N 377.470 2.529 0 40 GFAB Cc1cc(C)n(Cc2cccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)c2)n1 257212168 CCFBBNYCARPQLC-UHFFFAOYSA-N 387.436 2.806 0 40 GFAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cscn4)OCC[C@@]31C2 257312749 UPJHZULLBPXHTA-ODBZRCMLSA-N 391.537 2.609 0 40 GFAB CC(=O)N(c1nc(CN2CCC(CCN3CCOCC3)CC2)cs1)C1CC1 364807426 WDUKAXSPSWOQIK-UHFFFAOYSA-N 392.569 2.593 0 40 GFAB CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(-n2cccc2)c1 1132049069 YHWSFWBLVHUJMD-UHFFFAOYSA-N 391.427 2.959 0 40 GFAB CN(C)C[C@@H]1CSCCCN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 90608995 AYOPFMHGRHXACI-OAHLLOKOSA-N 396.500 2.904 0 40 GFAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C2)n1 585291073 JHHKWKZJEIEQLD-LLYBFZRZSA-N 375.436 2.676 0 40 GFAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCC2CCC2)CCO1 585283973 GINDGUXURONXSA-HXUWFJFHSA-N 394.899 2.772 0 40 GFAB O=C(Cc1ccc2c(c1)CCCO2)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099133 OOHFMPJSZGKNTN-FQEVSTJZSA-N 381.476 2.588 0 40 GFAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585096332 IQCCSLNADAYDTQ-AWEZNQCLSA-N 391.475 2.650 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N1CCC(Oc2nncs2)CC1 828231157 CZHZIYASAIXNEB-UHFFFAOYSA-N 375.479 2.777 0 40 GFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NC1CCN(c2ccccc2)CC1 679687357 OBAXFJDHMVWKNM-LJQANCHMSA-N 383.496 2.778 0 40 GFAB CN(C)[C@@H](CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 12203671 VJCPAESDNBZILW-AVRDEDQJSA-N 395.459 2.718 0 40 GFAB COc1ccc(N(CCc2ccccn2)S(=O)(=O)c2cn(C)nc2C)cc1 12239447 WCUCHWUXDHEIDD-UHFFFAOYSA-N 386.477 2.570 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(NC(C)=O)cc2)cc1 12682212 AJDARUVAUFNOPT-UHFFFAOYSA-N 389.521 2.965 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 12986404 MQWYFZVZPUXDDL-UHFFFAOYSA-N 391.880 2.838 0 40 GFAB COc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3cnccn3)no2)cc1 15675472 DXKUOPAXCOWOOA-SFHVURJKSA-N 389.419 2.558 0 40 GFAB biogenic,in-vitro CCOC(=O)N[C@@H](ON1C(=O)COc2ccccc21)C(Cl)(Cl)Cl 16682960 GYTJOIMYDUUORQ-NSHDSACASA-N 383.615 2.786 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nnc(-c2cccnc2)o1 19341389 IAOKBUBNXRHDNV-OAHLLOKOSA-N 392.387 2.936 0 40 GFAB O=C(NC1CC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19372459 WPQLYEIRGCLWLB-PMACEKPBSA-N 391.519 2.571 0 40 GFAB COc1ccc2sc(NC(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)nc2c1 19563717 UBKUJKCBHUPVHY-CYBMUJFWSA-N 382.445 2.687 0 40 GFAB CN1CCc2nnc([C@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2CC1 19706361 ZEGKJKXUOMDKBW-LJQANCHMSA-N 392.507 2.544 0 40 GFAB Cn1c(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)nc2ccccc21 19715011 LCEMOJRHDGEJPW-UHFFFAOYSA-N 382.508 2.852 0 40 GFAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 18748763 ZJKPXBRCISZLQC-UHFFFAOYSA-N 394.387 2.590 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4c(nn3)CCCC4)sc2c1 1888913118 QWSZWFXTKFKGNX-UHFFFAOYSA-N 388.474 2.621 0 40 GFAB COc1cnc(OC2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)nc1 1889225602 OIDISXOHIIIULO-UHFFFAOYSA-N 380.448 2.589 0 40 GFAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)cc1I 30721740 NUHNQJZZGHTDSZ-ZYHUDNBSSA-N 386.233 2.700 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](Cn1nccn1)c1ccccc1 240178512 YYCQCQUGSVOWLV-MRXNPFEDSA-N 376.869 2.960 0 40 GFAB Cc1nc(CC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cs1 2037909209 DEZXSZWGPPYMEY-LJQANCHMSA-N 378.469 2.956 0 40 GFAB CN(C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 11694427 DBXNBEBYXREILE-UHFFFAOYSA-N 382.439 2.882 0 40 GFAB NC(=O)c1ccc(NC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1 17170558 DSFSTDYICYFPDZ-UHFFFAOYSA-N 390.443 2.951 0 40 GFAB COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(CO)o3)C2)CC1 19758041 XCWWEZRTNWDFCN-SFHVURJKSA-N 385.508 2.567 0 40 GFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)cc1 22582637 RRODNASSWFFFAW-NRFANRHFSA-N 387.549 2.570 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c1 1890718312 QYQFTPYDAUZEMI-UHFFFAOYSA-N 391.884 2.585 0 40 GFAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2c(C)noc2C)c2cccs2)n1 585369390 YAGDPACRSPIVLP-CQSZACIVSA-N 380.495 2.734 0 40 GFAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](CO)c3ccccc3)c(C)c2oc1=O 25108612 DTCWHADXCOYSKO-SFHVURJKSA-N 381.428 2.947 0 40 GFAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)N1CCN(c2ccccc2)CC1 40104864 GDWUGNGPIYZCLM-UHFFFAOYSA-N 392.459 2.690 0 40 GFAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1 40268787 CCGQVPLVHYCBEF-LJQANCHMSA-N 388.443 2.939 0 40 GFAB COc1c2c(c(NC(=O)c3ccc4nsnc4c3)c3c1OCO3)CCN(C)C2 32124323 BXOYDWJALDWQIQ-UHFFFAOYSA-N 398.444 2.669 0 40 GFAB biogenic O=C1C[C@@H](Nc2ccc3c(c2)OCCCO3)C(=O)N1CCc1ccccc1F 102140023 KOUARSLCQQWKOL-QGZVFWFLSA-N 384.407 2.769 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CC1=O 32730246 LEXRYNGFDKXHDK-QFBILLFUSA-N 399.466 2.606 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 21746134 XMIGXCHQKIRHLW-GFCCVEGCSA-N 379.917 2.770 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 782947 WAMRBPRCCYVHSP-UHFFFAOYSA-N 388.851 2.712 0 40 GFAB O=C1c2sc3nc(=O)c(-c4cccs4)nn3c2C(=O)N1c1ccccc1 954381 YJWYJJBNNYPBSC-UHFFFAOYSA-N 380.410 2.680 0 40 GFAB O=C1N[C@@H](c2ccc(O)cc2)[C@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 1464519 MPEPRMHZBVKOIL-JKIFEVAISA-N 398.312 2.635 0 40 GFAB COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)OC(C)C)cc2oc1=O 2376863 ICAXGDHSWIGTJX-UHFFFAOYSA-N 382.796 2.801 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1 2637093 NJNQMJXXTQFYHJ-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB Cc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 2704293 BQIOGQVVDXFWMI-BOPFTXTBSA-N 395.871 2.612 0 40 GFAB COc1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 3136768 YOQGCGRPZYDGMY-JTQLQIEISA-N 388.679 2.764 0 40 GFAB CCOc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 3600807 HCTNAAMWBOXAHD-QFIPXVFZSA-N 393.443 2.807 0 40 GFAB COc1ccc(CN(C(=O)c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4182920 UNEZMTIBOJNGFB-KRWDZBQOSA-N 389.473 2.533 0 40 GFAB Cn1cccc1C(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12 4195144 NVLQUUVHMANLFE-UHFFFAOYSA-N 390.395 2.967 0 40 GFAB aggregator C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1c[nH]c2ccccc12 5573636 QAVYPRZNRRQTGL-GFCCVEGCSA-N 386.429 2.968 0 40 GFAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccco1 5861687 NCSIJMCQQHTXPJ-UHFFFAOYSA-N 386.433 2.967 0 40 GFAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(N2CCOCC2)s1 6101964 ONRQZGMDCNLDFY-UVTDQMKNSA-N 384.413 2.658 0 40 GFAB COC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1OC 6994087 FFQIQQPDZIKNSU-CYBMUJFWSA-N 376.482 2.920 0 40 GFAB CCOc1ccccc1N1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 7224877 ILHIEERWPHTTMD-UHFFFAOYSA-N 378.476 2.724 0 40 GFAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(OC)ccc2OC)c1 7404762 UUIOPICXOGDYDO-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB CSc1ncc(C(=O)N2CCN(c3ccccn3)CC2)n1-c1ccccc1 8135789 FBZBLAVFJOFYGP-UHFFFAOYSA-N 379.489 2.952 0 40 GFAB C[C@H](NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 8488942 AWVSEHWUXPRPKR-HNAYVOBHSA-N 396.528 2.825 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1 8746714 AFNFFTXNOUYKRD-JTQLQIEISA-N 382.463 2.775 0 40 GFAB Cc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)N1CCOCC1 8767645 AZSVYXRIUOIGEQ-UHFFFAOYSA-N 394.518 2.649 0 40 GFAB Cc1c(CCC(=O)NC[C@@H](O)c2ccccc2)c(=O)oc2c(C)c(O)ccc12 8790617 HIBBMGNMHQITIE-LJQANCHMSA-N 381.428 2.898 0 40 GFAB biogenic COc1ccc([C@H]2CCCCCN2C(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 8855783 WHRVQSZGFLRCFI-QGZVFWFLSA-N 387.480 2.859 0 40 GFAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NC[C@H]1CCCO1 8865135 ZMZGZGBEYQZNOH-MRXNPFEDSA-N 398.484 2.769 0 40 GFAB O=C(Cn1cnc2cc(F)ccc2c1=O)NCCSCc1ccccc1F 8881429 QTSKHIMJYRPSHO-UHFFFAOYSA-N 389.427 2.724 0 40 GFAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1 9828188 SLBKJQKXJGLZJW-UHFFFAOYSA-N 390.461 2.523 0 40 GFAB COc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)cc1 10025168 QSNAXCWDEMRAQY-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1cc(OC)c(OC)c(OC)c1 10256324 OFWYVQKWJZMBTM-MRXNPFEDSA-N 399.447 2.812 0 40 GFAB Cc1ccc(C(=O)COC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C 10746763 FJWJCGSRCQOWDJ-UHFFFAOYSA-N 375.446 2.739 0 40 GFAB CCCCn1c(SCC(=O)N[C@H](C)COC)nnc1-c1ccc(OC)cc1 11488736 AGYYSJRUAACZMV-CQSZACIVSA-N 392.525 2.997 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(C)c3)cc21 11612444 RBEVDKPVWCTVCW-UHFFFAOYSA-N 394.518 2.898 0 40 GFAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(-c2nc3ccccc3s2)c1 11905142 IEKIRERUZGUSQV-UHFFFAOYSA-N 392.440 2.842 0 40 GFAB CN(C)[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 12203814 VKXOYWDROLEZQN-SFHVURJKSA-N 395.459 2.575 0 40 GFAB CCOC(=O)C1=NO[C@@H](c2cc3c(c(OC)c2Br)OCO3)[C@@H]1C 12412889 ODWJTUZFEIWPAS-JMCQJSRRSA-N 386.198 2.813 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2ccccn2)CC1 12546155 DDUOHUNXMLKRTR-UHFFFAOYSA-N 398.532 2.573 0 40 GFAB COC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 12755461 OGZIDBJTEPAANP-CYBMUJFWSA-N 380.441 2.700 0 40 GFAB Cc1cc(N2CCN(CC(=O)NCc3ccccc3C)CC2)nc(C(C)C)n1 12783996 ZWHDNJMHJXWUQH-UHFFFAOYSA-N 381.524 2.655 0 40 GFAB Cc1csc(=O)n1CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 12787994 LYDIBFNFKRHGEX-UHFFFAOYSA-N 393.468 2.714 0 40 GFAB CSc1ccc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 12845340 BURPANGQOGTVAT-CYBMUJFWSA-N 396.509 2.873 0 40 GFAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(=O)[nH]n1 12846759 ZUZBVVHSQZVPME-UHFFFAOYSA-N 385.427 2.895 0 40 GFAB COc1ccc([C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)N(C)C)cc1 12908060 QMIVBBMLJCKIQH-ZDUSSCGKSA-N 380.374 2.867 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(C)c1 13131679 LPMYVOFXBJTOLE-GOSISDBHSA-N 376.420 2.918 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)n2nc(CCCO)nc2N1 13131999 COTPTGVOMGFJJS-LJQANCHMSA-N 390.447 2.526 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2OC)cc(C)c1C 14226492 PBQXAWRONUMMLD-CQSZACIVSA-N 376.478 2.711 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 14233527 VWYCIDODMGHTMB-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 16039150 GMTQUPLCNPNNBD-AKHDSKFASA-N 378.403 2.661 0 40 GFAB Cc1ccc(-c2nnn(CC(=O)OCc3cc(=O)oc4cc(C)ccc34)n2)cc1 18826308 IEZVCSVGTNQRBU-UHFFFAOYSA-N 390.399 2.807 0 40 GFAB COc1cccc([C@@H](NS(=O)(=O)c2ccc(C)s2)c2nccn2C)c1 19217290 JEYAEFRNWAFUHK-MRXNPFEDSA-N 377.491 2.867 0 40 GFAB CCCC(=O)N1CCO[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)NCC)C1 19501478 IBZAFZHWYPNEGD-QHCPKHFHSA-N 395.503 2.825 0 40 GFAB Cc1nn2c(NCCN3CCOCC3)c3c(nc2c1-c1cccs1)CCC3 19582118 OZWXHQLMTNCESV-UHFFFAOYSA-N 383.521 2.999 0 40 GFAB COc1ccc(C2(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CCOCC2)cc1 19661517 WQZXYWUHKHTDNB-HNNXBMFYSA-N 385.508 2.841 0 40 GFAB Cc1ccc(-c2cnc(NC(=O)Cn3c(C)c(C)c(C)nc3=O)n2C)cc1C 19663993 BBSRNHHHNHUXKV-UHFFFAOYSA-N 379.464 2.825 0 40 GFAB COc1ccc(C(=O)N2CC[C@@](O)(c3ccc(C)cc3)C2)cc1N1CCOCC1 19716605 UVYHWCJWGPUMPH-QHCPKHFHSA-N 396.487 2.574 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 20046887 ZZZHBVMPNYZRBZ-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)CC1 21902396 PVWIAAYGRLYGMD-HNNXBMFYSA-N 385.537 2.789 0 40 GFAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 22416639 MPBZOCVJFQPCGL-UHFFFAOYSA-N 376.412 2.969 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 22534702 BUXNIKWQGYRHGQ-LSDHHAIUSA-N 376.478 2.727 0 40 GFAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 22595908 LUYHZMLRKJFYGR-UHFFFAOYSA-N 375.375 2.859 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1 23990470 YOQPGHXRUIHWMG-LLVKDONJSA-N 394.424 2.853 0 40 GFAB COc1cc(OC)cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 25224469 HAKZDLGABUKOFJ-FQEVSTJZSA-N 393.443 2.649 0 40 GFAB O=C(NC1CCN(C(=O)NCCOc2ccc(F)cc2)CC1)c1ccccc1 28995871 ZBQKPQAANLAINF-UHFFFAOYSA-N 385.439 2.809 0 40 GFAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCc3sccc3[C@@H]2CC)C1 30426501 GBAMCBZDSRJRBN-ZFWWWQNUSA-N 386.539 2.577 0 40 GFAB CC(=O)c1ccc(-n2nnnc2S[C@@H]2CCc3ccccc3NC2=O)cc1 32101384 WRGGEROYLONDAX-QGZVFWFLSA-N 379.445 2.911 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cncn1-c1ccccc1 32249250 XDOFSUIBYLHDRN-FQEVSTJZSA-N 376.460 2.503 0 40 GFAB COC(=O)c1cccc(CS(=O)(=O)CCC(=O)N[C@H](C)c2ccccc2)c1 32778835 LUONBHDVVLTBGJ-OAHLLOKOSA-N 389.473 2.656 0 40 GFAB O=C(CCn1cnc2ccccc21)NCc1nnc2ccc(C(F)(F)F)cn12 32835961 DUHPGMRZVVWDEJ-UHFFFAOYSA-N 388.353 2.804 0 40 GFAB COc1ccc([C@H](NC(=O)CN2CCN(c3nccs3)CC2)C(C)C)cc1 35284002 TWZBIHCMOCPANE-LJQANCHMSA-N 388.537 2.787 0 40 GFAB Cc1sc2nc(CSCC(=O)N=c3[nH]c4ccccc4[nH]3)[nH]c(=O)c2c1C 36357768 SLXNSHUDLMOQAN-UHFFFAOYSA-N 399.501 2.772 0 40 GFAB Cc1ccccc1-c1noc(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 41184333 WGCICYGFVRTJBZ-UHFFFAOYSA-N 394.431 2.555 0 40 GFAB Cc1cccc([C@H](CC(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)NC(N)=O)c1 41400730 CRYHSAYBFZVBFN-PMACEKPBSA-N 388.556 2.967 0 40 GFAB O=C(NCC1CCN(Cc2ccsc2)CC1)C(=O)Nc1ccc(F)c(F)c1 43940972 PGDKBZNOGRITLQ-UHFFFAOYSA-N 393.459 2.993 0 40 GFAB CC(C)(CO)NC(=O)Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1 44034585 UDJHEGPKBBJQHX-UHFFFAOYSA-N 390.480 2.986 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(F)c2)c1=O 44840826 GILLRUBIXCPBRW-ZDUSSCGKSA-N 399.422 2.921 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2=O)cc1 45388893 QNYNAEWTPXAGIS-GDBMZVCRSA-N 398.459 2.943 0 40 GFAB O=C(CCc1nc(-c2cccnc2)no1)N1CCN(c2ccccc2F)CC1 46418918 MYAGDFFPCWUPEL-UHFFFAOYSA-N 381.411 2.552 0 40 GFAB Cn1ccnc1[C@](O)(CCNC(=O)C1(c2ccccc2)CCC1)C(F)(F)F 48354477 VMAMGKGSKJVSED-GOSISDBHSA-N 381.398 2.798 0 40 GFAB CCc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)s1 56997566 RFXPSJCSNVRXLW-UHFFFAOYSA-N 397.541 2.550 0 40 GFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 57118594 HFDODASQLLUKRA-UHFFFAOYSA-N 379.434 2.910 0 40 GFAB COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2cccs2)C2CC2)cc1 57821687 CLHPBRSZZIBBAG-UHFFFAOYSA-N 394.518 2.568 0 40 GFAB Cc1noc(C)c1[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 58177891 KUQIPNNYCKBIOU-NSHDSACASA-N 377.391 2.658 0 40 GFAB COC(=O)c1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c2cc(F)ccc2n1 65033322 DGTHDPTZDAEBRC-UHFFFAOYSA-N 398.346 2.907 0 40 GFAB Cc1ccc(NC(=O)Cn2c(C(=O)NCc3ccccc3F)cccc2=O)cc1 67350041 DCTHYWPZNLNLSH-UHFFFAOYSA-N 393.418 2.865 0 40 GFAB Brc1cnc(NCc2cccc(OCCN3CCOCC3)c2)nc1 67369743 MGNDXGLVFYWCGA-UHFFFAOYSA-N 393.285 2.562 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@H](c2ccccc2)O1 67591070 VXRCOJZJVALNJI-QFBILLFUSA-N 377.448 2.939 0 40 GFAB CC(C)OCCN1CCN([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 72309000 ZPCHOCUHJYJDSN-HNNXBMFYSA-N 385.455 2.658 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 72355416 YPMXNCXMLWRYJH-OAHLLOKOSA-N 381.411 2.586 0 40 GFAB O=C(CCn1cncn1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393481 FPEQXEMVDPLFIV-UHFFFAOYSA-N 399.514 2.900 0 40 GFAB Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1ccc2cc[nH]c2c1)C(=O)O 72403829 JMUQWPLTVSWHQZ-INIZCTEOSA-N 397.479 2.680 0 40 GFAB Cc1nn(-c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cn2)c(C)c1Cl 72405650 AYRBUVUHZLGOKJ-ZDUSSCGKSA-N 375.860 2.733 0 40 GFAB O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1cccnc1 77262895 SMIWJKGOKVPEJR-JAXLGGSGSA-N 379.460 2.977 0 40 GFAB biogenic,in-vitro Cc1ccccc1NC(=O)N1CCc2nc(N3CCOCC3)nc(C)c2CC1 96083895 UMFGDBGDCMQTLR-UHFFFAOYSA-N 381.480 2.563 0 40 GFAB COc1ccc(CC(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)cc1 96147034 OBUXFWQPXQBPKC-UHFFFAOYSA-N 399.516 2.558 0 40 GFAB CCN1C[C@@]23C=C[C@H](O2)[C@H](C(=O)NC2(c4ccc(F)cc4)CCCC2)[C@@H]3C1=O 100164249 GOPIUFURVJPNIZ-VDVULAQNSA-N 384.451 2.513 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2c1CCCC2 100466802 XIPKVCHJJFMJEA-LDJCDLSFSA-N 376.456 2.557 0 40 GFAB Cc1cc(C)c(OC[C@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c(C)c1 100752409 KWKRIGZKAKCZPZ-VAMGGRTRSA-N 382.504 2.633 0 40 GFAB biogenic Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102623175 OLXBKELCWNVUGG-NCOADZHNSA-N 385.851 2.868 0 40 GFAB C[C@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]2C[C@H]1C2(C)C 102806193 QNHJMTKJDFGIIU-KQTLUZQSSA-N 397.493 2.528 0 40 GFAB COc1cccc(OC)c1OC(=O)/C=C\C(=O)Oc1c(OC)cccc1OC 104138448 GPIIQTXSJBYVNQ-QXMHVHEDSA-N 388.372 2.788 0 40 GFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 107134019 MHRROHGZMWVKFE-ULQDDVLXSA-N 394.512 2.875 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 113946773 VHVLUSUMVLNQPN-LJQANCHMSA-N 387.505 2.737 0 40 GFAB COc1ccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113965924 UXNOJNVOBHKATG-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1Cl 219436952 DSBYQVOQBTUPNF-UHFFFAOYSA-N 392.864 2.581 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 224041632 ACVYERGVNXPWMM-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB CCSc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)s1 225219265 BXXVTGFVBNOYKF-UHFFFAOYSA-N 386.524 2.607 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(F)c(C)c1 225606192 UQBHZPXVHFDDTH-UHFFFAOYSA-N 383.397 2.739 0 40 GFAB O=C(COc1ccccc1F)NC1CCN(c2ncnc3c2CCCC3)CC1 225735553 SUMZYPIHWOQUPV-UHFFFAOYSA-N 384.455 2.659 0 40 GFAB S=C(NCc1ccccc1CN1CCOCC1)Nc1ccc2c(c1)OCO2 225777832 XMMLVCREGQMEEL-UHFFFAOYSA-N 385.489 2.734 0 40 GFAB CC[C@H](C)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 230208265 FLMRIIGSFMEMHE-ORYQWCPZSA-N 380.488 2.777 0 40 GFAB biogenic CC(C)(C)C(=O)N1CCN2[C@H](CN(C(=O)NCc3ccccc3)CC2(C)C)C1 253403081 PHPVYGOIQPPOKS-SFHVURJKSA-N 386.540 2.549 0 40 GFAB biogenic,in-vitro Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)CCCn2c(C)nc3ccccc32)[C@H]1O 257332065 XVOVONTYYWXICZ-KCZVDYSFSA-N 395.507 2.853 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408616329 GGMGCSRRUYKHDX-CQSZACIVSA-N 396.896 2.686 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408656182 HKBZBJXZRMLNPV-RSRPTUBKSA-N 382.460 2.839 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NC(C)C 408675047 GDCVBWUEQHLSCV-UHFFFAOYSA-N 380.441 2.838 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575609066 YAZOOEQORYIQRB-OAHLLOKOSA-N 382.869 2.947 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575610109 SNYDBKFXSGZONY-HNNXBMFYSA-N 397.884 2.761 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2nc(C)oc2-c2ccccc2)CC1 606422426 BZJKKBZCADKIDV-UHFFFAOYSA-N 378.450 2.614 0 40 GFAB COCc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](C(=O)O)c3ccccc32)c1 656644355 MNNUGCULTAHKIH-OAHLLOKOSA-N 391.445 2.609 0 40 GFAB CC[C@@H]1CN(C(=O)COc2ccccc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772595004 OPVAIWVICQHMAA-BHIYHBOVSA-N 396.478 2.642 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CCC(COc2ccc3nccn3n2)CC1 1888900889 HKHYFVDQXNGNRC-UHFFFAOYSA-N 386.402 2.868 0 40 GFAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(Cc3n[nH]c4c3CCC4)C[C@H]2C1 2298067723 FFWOXQBZFQBJGL-STQMWFEESA-N 377.414 2.880 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 1762266 RKJZNKOUCZLKJL-BPUTZDHNSA-N 384.542 2.703 0 40 GFAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 6159814 ZUMANHFQVZMIMH-QGZVFWFLSA-N 380.897 2.754 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 23977735 WRBRGLNVZQGBJL-IBGZPJMESA-N 392.496 2.794 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)c1 6818285 KBKXKGXULVCJSD-UHFFFAOYSA-N 388.474 2.924 0 40 GFAB O=C(Oc1ccc(Cl)c2ccccc12)C1=CC=CN2CCS(=O)(=O)N=C12 7667457 FGZNYACHLURLOF-UHFFFAOYSA-N 388.832 2.896 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2C)cc1 24207703 VACKMAZPUPQSER-FQEVSTJZSA-N 388.533 2.964 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC(N2CCNC2=O)CC1 51449894 IVPZAELTOXFLLW-IBGZPJMESA-N 389.540 2.522 0 40 GFAB COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1OC 1291786 LRHYFNVKDIWFGX-GOSISDBHSA-N 399.451 2.855 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 55941498 QQIGWKXHPWEBFA-AWEZNQCLSA-N 385.489 2.999 0 40 GFAB COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)CCCCC1 25712297 XDWQVLOBCJDICB-CQSZACIVSA-N 390.505 2.754 0 40 GFAB COc1ccccc1CNC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57477888 XQUVHFBMPNCKHD-UHFFFAOYSA-N 381.407 2.683 0 40 GFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2 108367228 GBCMXZIMMPEIIH-OAGDOXAWSA-N 396.535 2.920 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)nc2n1 3220427 FCOJASDCXOBICO-UHFFFAOYSA-N 394.218 2.843 0 40 GFAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCn2ccc3ccccc32)c1 12610055 OQKNCGRILVVJAV-UHFFFAOYSA-N 385.489 2.678 0 40 GFAB Cc1nc(C2(NC(=O)COc3ccc4c(c3)CCC(=O)N4)CCCCC2)no1 44840511 ANXZCHLBSMGUAY-UHFFFAOYSA-N 384.436 2.617 0 40 GFAB CNC(=O)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12697179 RCYFZSYCAFYUCI-UHFFFAOYSA-N 382.851 2.597 0 40 GFAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(C(F)(F)F)nc1 27977066 SWMQHGCZBRRFNU-UHFFFAOYSA-N 379.338 2.825 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccc(-n2cncn2)nc1 48132282 OPRXWVWVOSJJNR-UHFFFAOYSA-N 379.424 2.700 0 40 GFAB Cc1cc(C)c2oc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1 28228416 RLBUYRCPQNUNEH-UHFFFAOYSA-N 386.473 2.978 0 40 GFAB CCOC(=O)[C@]1(C)C=C(Nc2ccc(O)c(C(=O)O)c2)C(=O)N1c1ccccc1 2304340 WMOMGLBWBZGINA-NRFANRHFSA-N 396.399 2.755 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O 3345734 LDFNPLDMEUZCKT-AMLORBGZSA-N 389.471 2.924 0 40 GFAB CN1C(=O)c2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)cc2C1=O 48353658 UWVCASKSXZQRBO-UHFFFAOYSA-N 376.372 2.534 0 40 GFAB O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc[nH]n1 48364414 QUKOAYJFWWKHBX-UHFFFAOYSA-N 395.429 2.761 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 100395305 FMKSDXUBMCDTLT-SJJUBHFPSA-N 390.361 2.593 0 40 GFAB O=C(COC(=O)C1(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 3504254 BNIPBYLCWOOLOF-UHFFFAOYSA-N 382.435 2.749 0 40 GFAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(C(C)(C)C)cc1 13096203 AFIDQQYGVOJAAL-UHFFFAOYSA-N 389.521 2.702 0 40 GFAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 5002184 VHKNWTKANGMNCD-CQSZACIVSA-N 390.461 2.825 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 39589549 BWFFVOGLOCBOFM-KRWDZBQOSA-N 382.460 2.624 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N(c2ccccn2)c2ccccn2)c1 6244439 QOMDCORALKBBES-UHFFFAOYSA-N 382.445 2.705 0 40 GFAB O=C(NCc1cccnc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5381141 CICFXYUOWRPKIL-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(C(C)C)s2)cc1 9306808 RAJFSXUTTYTZAO-AWEZNQCLSA-N 394.522 2.762 0 40 GFAB COc1ccc(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 4680479 KBXWBTSOBNTZLT-UHFFFAOYSA-N 384.384 2.855 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)C(C)(C)C)cc1 5505989 RVHQVQXMZHWDAQ-JLHYYAGUSA-N 381.494 2.889 0 40 GFAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 6810511 QVNOYIQXLXRUDT-UHFFFAOYSA-N 386.886 2.532 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(Br)cc1 15050557 RTTKIMKTLQXGHU-SECBINFHSA-N 382.287 2.740 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccccc2Cl)CC1 7283146 CCIMPJBNQXASPK-UHFFFAOYSA-N 398.898 2.676 0 40 GFAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 7953846 MEVPHLZEYUDQIK-OAHLLOKOSA-N 396.509 2.647 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1ccc(Cl)cc1 8084893 QYLDQEBRYCFGFX-UHFFFAOYSA-N 385.645 2.784 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cc1NC(C)=O 8110149 QPLYJJBKHGHVHE-UHFFFAOYSA-N 375.406 2.904 0 40 GFAB NC(=O)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 8294781 TVBRNUICLHMDBZ-UHFFFAOYSA-N 396.472 2.534 0 40 GFAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 306136130 PKEFCOQSQMZDRD-VGOFRKELSA-N 396.491 2.925 0 40 GFAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1c[nH]c2ccccc12 8313506 NIRIHKIMMSKKKW-NSHDSACASA-N 391.474 2.503 0 40 GFAB COCc1cccc(C(=O)NCC(=O)Nc2ccccc2Br)c1 8303470 CPUWWWJLWVRPOO-UHFFFAOYSA-N 377.238 2.964 0 40 GFAB NC(=O)[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(F)cc1 8744859 IMJAWOOTIJPXFB-OAHLLOKOSA-N 395.419 2.979 0 40 GFAB Cc1nnc2n1C[C@@H](C(=O)Nc1nc(-c3ccc4c(c3)OCCO4)cs1)CC2 95432721 SDRQFZVGYKBMFM-ZDUSSCGKSA-N 397.460 2.682 0 40 GFAB Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 9885309 DVKDFHZIYBDPPB-UHFFFAOYSA-N 377.441 2.673 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3ccccc3)o2)C1 84811557 CKYXAQGIEHOVRJ-MRXNPFEDSA-N 376.478 2.625 0 40 GFAB Cn1cc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)cn1 95961218 SXZLALIBLXXQMK-UHFFFAOYSA-N 396.881 2.853 0 40 GFAB COc1ccc(COCC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1 89326979 WSGFMHKFLOIUES-UHFFFAOYSA-N 382.420 2.967 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 408585383 GBUAMZUJFSBSRT-UHFFFAOYSA-N 381.837 2.643 0 40 GFAB CC(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 116833493 GAHSWBPHRZXKCT-UHFFFAOYSA-N 376.478 2.654 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 409224407 LDAXIKNHPXMKQX-UHFFFAOYSA-N 378.384 2.528 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](C)N1Cc3ccccc3C1=O)CC2 524734144 BMXMCXHNAOLJFY-SCLBCKFNSA-N 380.444 2.852 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CCCCCCC1 408585293 YNFVBWMVUNDXOA-OAHLLOKOSA-N 382.526 2.900 0 40 GFAB CN1C[C@@H](NC(=O)Nc2ccc(F)cc2)C[C@H]1c1nc(-c2ccccn2)no1 30879474 YKEHPLZHUKLMTD-HOCLYGCPSA-N 382.399 2.838 0 40 GFAB biogenic,in-vitro O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(O)c1 71285405 QNTIODOLJSMCHV-UHFFFAOYSA-N 388.855 2.516 0 40 GFAB COc1ccc(C)cc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219432891 SHZXENIKNUIXDV-UHFFFAOYSA-N 388.445 2.567 0 40 GFAB O=C(Cn1cc(NC(=O)c2ccccn2)cn1)Nc1nc2c(s1)CCCCC2 72345737 ROFWTSQZBXPHOD-UHFFFAOYSA-N 396.476 2.895 0 40 GFAB Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)NCc1ccncc1 49551052 VCGIVEXIKZYJGG-UHFFFAOYSA-N 383.835 2.943 0 40 GFAB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897689 LTJCVWILVDLHKP-UHFFFAOYSA-N 390.461 2.955 0 40 GFAB COCCn1cc(C(=O)NCc2ccccc2CN2CCC(C)CC2)ccc1=O 40150403 SVBRMKXCSOXAOY-UHFFFAOYSA-N 397.519 2.657 0 40 GFAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CCc1ccc(S(C)(=O)=O)cc1 225600692 QKIZJFTUGRNREA-HNNXBMFYSA-N 387.501 2.705 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Nc2cccc(Cl)c2)cc1 224262022 OBRJAVQLBONOAE-UHFFFAOYSA-N 397.884 2.791 0 40 GFAB Cc1nn(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)c1C(F)F 576963901 YWCUEBDSMZWQIW-ZANVPECISA-N 391.465 2.708 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1cccc(I)c1 141814170 VFDICGXUUGFPGQ-JYILRKAJSA-N 379.197 2.993 0 40 GFAB O=C(NCc1cccc(-c2nc[nH]n2)c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 585083042 WHSGTISQTVJJIJ-UXHICEINSA-N 391.475 2.779 0 40 GFAB O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cn2cccn2)c1 257268590 MMIPWFAWUKPHGH-UHFFFAOYSA-N 375.837 2.704 0 40 GFAB CC(C)Cc1ncc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)s1 257272043 NAWCAQCTMHCDRX-UHFFFAOYSA-N 380.539 2.938 0 40 GFAB COc1cc2c(cc1S(=O)(=O)NCCCN1CCC[C@H](C)C1)CCCC2 260746453 XRPPJKPNDFOLHY-INIZCTEOSA-N 380.554 2.974 0 40 GFAB COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1 262679060 VHBATXVEUNSFKS-UHFFFAOYSA-N 382.416 2.884 0 40 GFAB CCS(=O)(=O)N1CCC(CNC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)CC1 655798340 YIMGIFYUDLTISX-KRWDZBQOSA-N 385.574 2.658 0 40 GFAB N=c1ccc2c(N3CCO[C@H](c4cccc(OC(F)(F)F)c4)C3)ncnc2[nH]1 606443870 WPRRJXQKTRVOBS-AWEZNQCLSA-N 391.353 2.914 0 40 GFAB O=C(NC1CCCC1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2cccc(F)c2F)O1 585108747 ULNPXAKORKARNG-KZNAEPCWSA-N 392.446 2.715 0 40 GFAB COC(=O)c1sccc1NC(=O)CN1CCCN(C)c2cc(F)ccc21 72308377 PPQMPVHAFLRYPQ-UHFFFAOYSA-N 377.441 2.959 0 40 GFAB CC(C)(CNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C1=CCCCC1 683993349 FYMSNUKOTZQXHW-KRWDZBQOSA-N 383.558 2.723 0 40 GFAB CCOC(=O)C1CCN(c2c(CC)c(C)nc3cc(-c4nccn4C)nn23)CC1 12087639 LZONXGYJUKQZQX-UHFFFAOYSA-N 396.495 2.780 0 40 GFAB CCOc1ccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 13671022 UKMMXYCOWBTVDN-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2C1=O 15012005 HWQXOJYZRFZXNK-UHFFFAOYSA-N 398.415 2.589 0 40 GFAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@H]1CCCO1 19696476 PUISYEFZTKJQPO-XMSQKQJNSA-N 397.475 2.560 0 40 GFAB Cc1nn(C)cc1[C@H](C)NC(=O)CC1CCN(C(=O)Cc2ccccc2)CC1 19748269 KUKZDDPWGWCUNA-INIZCTEOSA-N 382.508 2.777 0 40 GFAB O=C1NCCCCN(C(=O)c2cncnc2)CCCOc2ccc(Cl)cc21 643558664 SVYOLIKQZMKADL-UHFFFAOYSA-N 388.855 2.565 0 40 GFAB Cc1cc2ccncc2n1CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccn1 19127073 VXGHCAFZWHTXIX-VSOVRNOCSA-N 376.460 2.938 0 40 GFAB O=C1CCC(=O)N1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5871193 PNRTVAKQAWFHLY-HNNXBMFYSA-N 385.807 2.760 0 40 GFAB Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)c(C(F)F)n1 1888876481 XOOKXZMRNPCTOP-ZMZPIMSZSA-N 395.385 2.608 0 40 GFAB O=C(C(=O)N1CCCCC1)c1cn(CC(=O)N2CCCCC2)c2ccccc12 4272320 IQJKSUZCCPPHEP-UHFFFAOYSA-N 381.476 2.849 0 40 GFAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)NCc1ccc(F)cc1 4328724 KCBIXJCKEXCFIH-UHFFFAOYSA-N 392.437 2.931 0 40 GFAB O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1 7875049 NVKLRYKKSGSYMZ-UHFFFAOYSA-N 399.422 2.844 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 8844930 MAICLNZQEUJZMP-NRFANRHFSA-N 381.432 2.718 0 40 GFAB COc1cc(C(=O)NCCOc2ccc(-c3ccco3)nn2)cc(OC)c1OC 10324620 XXOMHMRVMIJRJT-UHFFFAOYSA-N 399.403 2.571 0 40 GFAB O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)NCc1ccccc1 12441668 HTFZTZDICUFUAG-UHFFFAOYSA-N 399.454 2.776 0 40 GFAB COCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 101282199 GEGVCVKGZXHUHW-UHFFFAOYSA-N 396.834 2.848 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 585147271 LVYDZMOYOMNYMJ-MRXNPFEDSA-N 379.457 2.773 0 40 GFAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(C(=O)O)c(O)c4)ccc1c23 6720895 PUEZCDCHOQFGGZ-UHFFFAOYSA-N 398.396 2.634 0 40 GFAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc12 41091368 MRHLYSMUADUMDK-UHFFFAOYSA-N 397.412 2.736 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2c(C)nn(C)c2s1 32873606 CEZFKWDLQKUDTG-UHFFFAOYSA-N 389.433 2.999 0 40 GFAB CCCC[C@@H](CC)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 40072369 OQXAHWKLUPDGIY-QGZVFWFLSA-N 387.590 2.856 0 40 GFAB CCN1C[C@@H](CN(C)C(=O)c2csc(-c3cnn(C)c3)n2)Oc2ccccc21 40144027 PNTQPLLIZURKSD-OAHLLOKOSA-N 397.504 2.903 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 40140952 OJEVZVVCGWXMRL-UHFFFAOYSA-N 396.422 2.645 0 40 GFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NC1(c2ccccc2)CCC1 51687241 YTCCDGMYIPHWQM-UHFFFAOYSA-N 383.517 2.702 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCCN(c2ncccn2)CC1 20729563 WUXNWQLEJNHFBB-QGZVFWFLSA-N 385.855 2.949 0 40 GFAB COc1cccc(-c2noc(C[S@](=O)CC(=O)N(C)c3ccccc3)n2)c1 32801516 YFCATXOYGXDVLV-HHHXNRCGSA-N 385.445 2.657 0 40 GFAB COc1ccc(CN(C)C(=O)NCc2nnc3n2-c2ccccc2CC3)cc1 32803223 AYXXHKIAFPVCCF-UHFFFAOYSA-N 377.448 2.716 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 32860466 XXJGPLOGWXTSQM-UHFFFAOYSA-N 382.851 2.535 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CSCC(=O)N3CCCCC3)cnc21 32845040 NXOQEDUBCQLOHZ-UHFFFAOYSA-N 375.498 2.696 0 40 GFAB CCCOc1ccc(C(F)(F)F)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@@H]21 32912789 YZSPBHPLQTWPHP-GWCFXTLKSA-N 377.384 2.644 0 40 GFAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)NCc1ccccc1 22615753 HVHPJOUKVRLBMN-OAHLLOKOSA-N 382.489 2.611 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1 22913330 MUZYFAQLZQXZIE-UHFFFAOYSA-N 398.482 2.719 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc2ncccc12 23158629 REMKZNCNGDQCQD-QFIPXVFZSA-N 386.411 2.567 0 40 GFAB O=S(=O)(NCc1ccn2ccnc2c1)c1cc(Br)ccc1F 79111025 DQYMEQXQGSOTIL-UHFFFAOYSA-N 384.230 2.714 0 40 GFAB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc2n1 3449687 RNFCAYBCQQDVCO-GFCCVEGCSA-N 385.449 2.632 0 40 GFAB COc1ccc2cc(CN(CCCO)C(=O)c3ccccc3C)c(=O)[nH]c2c1 4231066 WYZKWWIEHXGTTK-UHFFFAOYSA-N 380.444 2.870 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 6081747 YHSPZNRMJXAWOO-AEFFLSMTSA-N 380.444 2.769 0 40 GFAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6226832 IFLJGOZYUHQSPW-KRWDZBQOSA-N 390.480 2.885 0 40 GFAB COC(=O)[C@@H](Cc1cncn1COCc1ccccc1)NC(=O)OC(C)(C)C 6493395 OZTSHWHLUGXROY-QGZVFWFLSA-N 389.452 2.666 0 40 GFAB COc1ccc(CNC(=O)COc2ccc(N3CCCC3=O)cc2)cc1OC 7062919 VWGYHLSVCLCVPO-UHFFFAOYSA-N 384.432 2.526 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 24611022 RQTRVRGIDWJYBJ-UHFFFAOYSA-N 378.538 2.939 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)CCCC2 7816849 JRJALHNNRFEAMW-CQSZACIVSA-N 398.484 2.587 0 40 GFAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 8278355 PWGIOMAALXZYBZ-UHFFFAOYSA-N 398.802 2.873 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 8412189 MEKMSXVANYKQCD-HNNXBMFYSA-N 384.432 2.835 0 40 GFAB Cc1nc(NC(=O)Cn2cnc3c(C)cccc3c2=O)sc1-c1nccn1C 25143812 RYJYRAFWRKJHOM-UHFFFAOYSA-N 394.460 2.509 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)C2)n1 56131568 WVDMIQQDRGMNBX-CMPLNLGQSA-N 380.857 2.992 0 40 GFAB Cc1nn(Cc2cn3ccccc3n2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12507070 IAXIVHSCTYUMFU-UHFFFAOYSA-N 399.476 2.610 0 40 GFAB C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccccc3)cn2)CCO1 57172149 NJEQFOVTBTUYPL-NQIIRXRSSA-N 394.519 2.588 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCCn2c(C)nc3ccccc3c2=O)n1 44655102 PASXRGUCQKZNTE-OAHLLOKOSA-N 395.507 2.751 0 40 GFAB CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1c(Cl)nc2ccccn12 58173376 VDCZEIAHFOPLPC-AWEZNQCLSA-N 379.869 2.954 0 40 GFAB C[C@H](CNC(=O)c1ccc(F)cc1I)N1CCCC1 48128712 YAWKNMMZGDPIAJ-SNVBAGLBSA-N 376.213 2.644 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(N)=O)CC1 12791413 GFUIKKDSBYDJPL-VIFPVBQESA-N 377.794 2.883 0 40 GFAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1CN1C(=O)CNC1=O 10642109 LOXVFBVUDZSOJT-UHFFFAOYSA-N 393.321 2.889 0 40 GFAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 28320384 AOTDGCROALCXQE-GOSISDBHSA-N 391.431 2.801 0 40 GFAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC(C(N)=O)CC3)c12 12772385 VPPIBHJJYYOYFV-UHFFFAOYSA-N 382.395 2.675 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@H](C)CN3CCCCC3)c12 36619088 VAHWDAKMEJRAQI-CYBMUJFWSA-N 382.468 2.536 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)NCc3ccc(C)cc3)c(=O)c2c1C 28800885 YBLAXBLOFUFOLW-UHFFFAOYSA-N 399.472 2.568 0 40 GFAB COCCn1/c(=N/C(=O)c2cccs2)sc2cc(C(=O)OC)ccc21 100872414 NJWYIFILYUWHPQ-ZCXUNETKSA-N 376.459 2.938 0 40 GFAB COC(=O)[C@@H](c1ccccc1Cl)N1CCC(NC(=O)c2cc(C)no2)CC1 58174718 DLXGTUNQRWAXQU-QGZVFWFLSA-N 391.855 2.745 0 40 GFAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2C(=O)C[C@@H](C)C3)cc1 20801923 VRRYIBXZDFXSLV-AWEZNQCLSA-N 381.480 2.746 0 40 GFAB O=C1CN(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c2ccccc2N1 2629945 UXPCKOVJNFQCGR-UHFFFAOYSA-N 380.734 2.760 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)c1 29984046 RIGRIGMCERRGMO-UHFFFAOYSA-N 396.447 2.645 0 40 GFAB COC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1 47170297 AWPGHUKORBQAPU-UHFFFAOYSA-N 375.475 2.783 0 40 GFAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2C1=O 3413599 GBZZSHMABUWRCB-UHFFFAOYSA-N 385.445 2.741 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1 13063379 CCBDBWRNRWPKDR-UHFFFAOYSA-N 376.482 2.891 0 40 GFAB O=C(CN1Cc2ccccc2C1)N1CCc2c(cccc2N2CCOC2=O)C1 95432759 OVJFPHUZGIQTPW-UHFFFAOYSA-N 377.444 2.544 0 40 GFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCN(Cc2ccccc2)C1 39976182 SHVFHNQMLXZLRF-PJVWNMJMSA-N 395.547 2.710 0 40 GFAB CCCN1C(=O)[C@@](O)([C@H]2COC(C)(C)CC2=O)c2cc(Br)ccc21 5274380 MSPZCHQDXXVZOI-UGSOOPFHSA-N 396.281 2.778 0 40 GFAB CC(=O)Nc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)c1 14093090 JRPPALYOTXVKNP-NRFANRHFSA-N 381.476 2.757 0 40 GFAB O=C(NCCc1ccccn1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 65591586 JCPHBYNVZJMPGV-UHFFFAOYSA-N 376.464 2.998 0 40 GFAB O=c1c(-c2cccnc2)nnc2n1CCC21CCN(CCc2ccccc2)CC1 306126597 DZUSXWGINNKPIF-UHFFFAOYSA-N 387.487 2.680 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 4511289 OPROBHXOOLYWGG-INIZCTEOSA-N 377.444 2.888 0 40 GFAB biogenic COc1cc(C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1O 14226438 UATAGVRMFPKQQO-UHFFFAOYSA-N 380.194 2.822 0 40 GFAB C[C@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccs1 9336374 MKGPVODTQUTBEX-ZDUSSCGKSA-N 393.472 2.980 0 40 GFAB COc1cc(C(=O)Nc2cc(F)ccc2C)c(N(C)S(C)(=O)=O)cc1OC 20030162 VYARYFHIVWCZJA-UHFFFAOYSA-N 396.440 2.799 0 40 GFAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4836512 GZPWMSDRNMYKPX-UHFFFAOYSA-N 390.461 2.619 0 40 GFAB OCCNCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 23263571 XGPBSIXLEHIJJZ-UHFFFAOYSA-N 397.288 2.839 0 40 GFAB C[C@H](COCC(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 67278863 WYMBDAYLILVTQZ-MNOVXSKESA-N 378.778 2.777 0 40 GFAB CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCC(C)CC2)=C1C(=O)OC 67287856 YYIDPDUAPMNRCN-LJQANCHMSA-N 387.480 2.598 0 40 GFAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)c1ccc(OC(F)F)cc1 7250161 OAGNSITZMJMHPD-LLVKDONJSA-N 388.330 2.692 0 40 GFAB COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)N2CCOCC2)cc1 19897809 BEQOYXVAMMPEEU-NRFANRHFSA-N 384.476 2.572 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)NC[C@H]4CCCO4)c(=O)c23)s1 7671919 ZXSNTAUQRBMJBK-GFCCVEGCSA-N 389.502 2.790 0 40 GFAB CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763656 IZRTUGJYFUGEPV-UHFFFAOYSA-N 379.511 2.915 0 40 GFAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc2ccccc2c1 7777482 FBKPMKBCCBKFIB-HNNXBMFYSA-N 397.500 2.946 0 40 GFAB Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 7794414 TUOPLIUCYBQOPZ-UHFFFAOYSA-N 384.432 2.566 0 40 GFAB CS(=O)(=O)N1CC[C@@H](CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 90796534 JOTBUBRZXVMTIT-HNAYVOBHSA-N 378.538 2.650 0 40 GFAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O 16400617 HHAGSJNRHDCMKC-MRXNPFEDSA-N 382.203 2.992 0 40 GFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCc1c[nH]c2ccccc12 9549580 SZSGFZNTNWNUKQ-UHFFFAOYSA-N 386.411 2.983 0 40 GFAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C(=O)c2ccccc2)cc1 8133222 VJRRZXBVLDYDPO-UHFFFAOYSA-N 391.427 2.817 0 40 GFAB CCOC(=O)C1=C(COC(=O)CCCc2c[nH]c3ccccc23)NC(=O)N[C@@H]1C 8324257 CTXQGPQREQPOAM-CYBMUJFWSA-N 399.447 2.552 0 40 GFAB O=C1CSCN1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8345381 GELFLOLLHQVOCB-UHFFFAOYSA-N 390.486 2.585 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1 96635215 MRTPEDLMBXKPGP-XNTDXEJSSA-N 376.459 2.779 0 40 GFAB C[C@H](C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccc(Br)s1 97009838 WPQOEPGEFYKFLO-IVZWLZJFSA-N 382.345 2.894 0 40 GFAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3CN3C[C@H](C)O[C@H](C)C3)cc2nc1C 72274587 PZAQTQHTCZQYLY-ZRGWGRIASA-N 382.508 2.960 0 40 GFAB COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCNC(=O)c2c[nH]c3ccccc23)C1 95983486 ZQHLNENINGUVKP-HNNXBMFYSA-N 399.491 2.726 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 408596893 TZUVPUFZJHQBNM-UHFFFAOYSA-N 389.477 2.892 0 40 GFAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc21 225715013 FDZGUODHSQCSLO-UHFFFAOYSA-N 391.474 2.544 0 40 GFAB COc1ccccc1CNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408597756 XXVQUUCBMITRBA-UHFFFAOYSA-N 390.505 2.868 0 40 GFAB COc1cc2nc(N3CCc4nc(C(C)(C)C)ncc4C3)nc(N)c2cc1OC 528104781 LMXIHHRDBYMCTM-UHFFFAOYSA-N 394.479 2.879 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 38628701 DHQICLNTQYGTEC-IBGZPJMESA-N 389.521 2.862 0 40 GFAB Cc1cc(C)n2ncc(CN3C[C@@H]4CC[C@](O)(c5ncccc5C)[C@H]4C3)c2n1 72389826 DWDVNOSIESYJLT-LQBOVUBWSA-N 377.492 2.779 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](CC(=O)O)C1 566958002 WAEBWVKKMQWLES-ZWNOBZJWSA-N 375.391 2.879 0 40 GFAB Oc1nc(-c2ccccn2)nc2c1CCN(CCOCc1ccccc1)CC2 72390488 LEDWFZSMNKLCTG-UHFFFAOYSA-N 376.460 2.862 0 40 GFAB CC(C)(C)c1ccccc1OCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223706142 CNJLLARMYZEXAH-CALCHBBNSA-N 398.503 2.820 0 40 GFAB CSc1nc2nc(C)c(CC(=O)NCCOc3c(C)cccc3C)c(C)n2n1 40113719 TUHXLIFTXNUXJK-UHFFFAOYSA-N 399.520 2.818 0 40 GFAB C[C@@H]1[C@@H](NC(=O)CN2CCN(c3ncnc4sccc34)CC2)CCC[C@H]1C 225440753 OQVMJADRHSWPEA-VYDXJSESSA-N 387.553 2.754 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1 223022149 TWLOJKNGUDJJDP-NSHDSACASA-N 388.898 2.751 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1 230150637 UMYQNYSOUKLMFK-MLGOLLRUSA-N 391.880 2.526 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 97126095 VYBOBICHVJPRAY-UHFFFAOYSA-N 388.474 2.756 0 40 GFAB CC(C)N1c2sc(-c3ccsc3)nc2C[C@@H]1C(=O)N1CCN(C)CC1 96264472 YPUHLZAECKZLCH-OAHLLOKOSA-N 376.551 2.785 0 40 GFAB CC(C)n1c(CNC(=O)[C@@H](C)n2nnc3ccccc3c2=O)nc2ccccc21 95477829 OJLVRDCMYDWBSG-CQSZACIVSA-N 390.447 2.600 0 40 GFAB O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)[C@H]1COc2ccccc2O1 96121551 OEJUWACKVHEPCV-MRXNPFEDSA-N 395.381 2.737 0 40 GFAB Cc1nc(-c2cc(C3CCN(S(=O)(=O)N(C)C)CC3)ccn2)sc1C 257270153 MSZKMNLASQYCAK-UHFFFAOYSA-N 380.539 2.808 0 40 GFAB CCOCCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596704 VDVSVDCAVITWMQ-NUUNWFIMSA-N 386.492 2.874 0 40 GFAB NC(=O)C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1ccc(Cl)cc1 257239580 HPZDEOLTAKKMIV-FZMZJTMJSA-N 379.869 2.582 0 40 GFAB C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 607589053 QSIGYYWRXSMJCI-CRAIPNDOSA-N 392.455 2.784 0 40 GFAB Cc1nc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(-n2cccn2)n1 90607693 ICTCNNMJUGGUBH-UHFFFAOYSA-N 393.325 2.887 0 40 GFAB O=C(C[C@@H](n1cccn1)C(F)(F)F)N1Cc2cnnn2Cc2ccccc21 613868514 WRXRIHMLCRXQTQ-OAHLLOKOSA-N 376.342 2.563 0 40 GFAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1cscc1C(F)(F)F 622120815 DXIHHOLKSABBCX-VIFPVBQESA-N 391.392 2.732 0 40 GFAB NCc1cc(NC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc(C(F)(F)F)c1 632950725 FIICBYWAHHSXJZ-IAGOWNOFSA-N 395.381 2.820 0 40 GFAB CC(C)n1c(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)nc2ccccc21 96345243 DEPJHLCFESUXII-UHFFFAOYSA-N 393.491 2.759 0 40 GFAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1c(C)cc(Cl)c2ccccc12 666726957 QENHISFVNOZMFF-LSDHHAIUSA-N 382.869 2.735 0 40 GFAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1ccc(OC2CCOCC2)cc1 678956901 GLIPVGPKYMWMGL-UHFFFAOYSA-N 386.492 2.717 0 40 GFAB Cc1ccccc1CC1CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1 681544175 HNBMLJIUROUOMO-UHFFFAOYSA-N 380.492 2.611 0 40 GFAB O=C1CCCN1c1cc(CNC(=O)C2(c3ccccc3)CCOCC2)ccn1 575609275 UAKNXZVAPKUFNA-UHFFFAOYSA-N 379.460 2.573 0 40 GFAB O=C(Cn1nc(C2CC2)ccc1=O)Nc1cccc(-c2cn3c(n2)SCC3)c1 575621167 VPOUAGUYRMJBDV-UHFFFAOYSA-N 393.472 2.729 0 40 GFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2ccc([S@](C)=O)cc2)C[C@@H](C)O1 72309636 RPIAJMJOPXQZEP-ZZGVCHDDSA-N 379.526 2.530 0 40 GFAB COc1cc(-c2ccccc2)sc1C(=O)N1CCCN(S(C)(=O)=O)CC1 51035035 LNSGRNSUMKXPLH-UHFFFAOYSA-N 394.518 2.531 0 40 GFAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)cc1Cl 96375520 GGOGGEPVCYKDFU-FUNVUKJBSA-N 392.304 2.939 0 40 GFAB COc1ccc(/N=c2/scc(-c3cc(C)[nH]c3C)n2Cc2ncn(C)n2)cn1 101904396 AXAKVBMKTXBUND-FCDQGJHFSA-N 395.492 2.974 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)c1 5444405 URXODSPCTPCIQJ-UHFFFAOYSA-N 383.433 2.774 0 40 GFAB COc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(O)c([S@](C)=O)c2)cc1 5735014 PAQZZCOZHPGCFW-VZOJFVKJSA-N 377.506 2.783 0 40 GFAB in-man O=C1NC2(CCN(C(=O)C3=Cc4ccccc4OC3)CC2)Oc2ccccc21 12183503 CREBTWNZQYQWLF-UHFFFAOYSA-N 376.412 2.604 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)CC1=O 12766255 PCBCYKUBXVOMMH-CVEARBPZSA-N 396.443 2.643 0 40 GFAB Cc1cc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(C)n1Cc1ccco1 13986891 XFIBUPTUKCRNLL-VOTSOKGWSA-N 391.475 2.898 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1 14399671 AHDMELMNXFYBAY-LBPRGKRZSA-N 387.388 2.674 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1F 14867697 FQNMSRXLKSJJDJ-UHFFFAOYSA-N 377.846 2.992 0 40 GFAB CCc1onc(C)c1C(=O)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 19521135 BQUOOXFYSCOHPM-CQSZACIVSA-N 388.449 2.794 0 40 GFAB COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccc(F)cc2F)cc2c1OCO2 19549980 KXCDOVKWPOXDAK-BEFAXECRSA-N 390.386 2.812 0 40 GFAB CCS(=O)(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 19689641 ACQYTYNSPIYBSG-KRWDZBQOSA-N 390.509 2.705 0 40 GFAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCCO)ccc21 643583983 QSUJPYUZGJVHJO-UHFFFAOYSA-N 389.540 2.842 0 40 GFAB O=C(N[C@H]1CCCOC1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226659 UBMJWIFKINSXBF-ROUUACIJSA-N 390.455 2.801 0 40 GFAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1cnccn1)c1ccccc1O2 12275032 NYVAKPFNRGVZCI-IIBYNOLFSA-N 380.448 2.501 0 40 GFAB COCCn1cc(CNC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)cn1 664825375 UCGOLCXGQKFLKT-UHFFFAOYSA-N 382.464 2.680 0 40 GFAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4sccc4C)C[C@@H]32)c(OC)n1 253599931 YHLICBBCJHVUCT-PTSWNOGYSA-N 389.521 2.983 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)OC(C)(C)C)cc1 5937428 ORIRBMYSYPDLNR-JLHYYAGUSA-N 397.493 2.615 0 40 GFAB C[C@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 5991526 NYOQLAHJNLDKGY-NSHDSACASA-N 387.263 2.525 0 40 GFAB COc1ccc2nc(SCC(=O)N[C@@H](Cc3ccccc3)C(C)=O)[nH]c2c1 6586545 ULIPZPBMNGUDHE-KRWDZBQOSA-N 383.473 2.980 0 40 GFAB COc1ccc(NC(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc1 1888904061 GFSYBWRITHXAKU-HZPDHXFCSA-N 393.491 2.882 0 40 GFAB CN(CC1CCN(c2ncnc3c2ncn3C)CC1)c1ncnc(C2CC2)c1F 1888906413 LNOPBGLRTLQISQ-UHFFFAOYSA-N 396.474 2.523 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccc3nc(C(C)(C)C)cn3n2)CC1 1888913677 SQINEKSIPRDTEG-UHFFFAOYSA-N 393.491 2.998 0 40 GFAB O=C(CSc1nnc2n1CCN2c1ccccc1)NCc1ccc(F)cc1 9573927 BHPXEKCTFIIDNM-UHFFFAOYSA-N 383.452 2.977 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCCn1nc(-c2ccccc2)ccc1=O 9660820 GBFIDRXBEDKEPB-UHFFFAOYSA-N 383.835 2.759 0 40 GFAB COc1ccc(CCC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 11853286 XQXBAGJEMCCPQM-UHFFFAOYSA-N 381.520 2.956 0 40 GFAB CCOc1ccc(N2C(=O)N(c3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 12080464 LNJGXJHRBQPBEJ-MSOLQXFVSA-N 390.436 2.837 0 40 GFAB O=C(NCCNC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 13854751 VAIIKDHIDDRADF-UHFFFAOYSA-N 385.851 2.848 0 40 GFAB O=C(c1cccs1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382518 QRBFFGNSPTVBBQ-HUUCEWRRSA-N 384.457 2.565 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 30260079 OFGDOBQTRBEUKV-UHFFFAOYSA-N 387.411 2.833 0 40 GFAB CCCn1c(=O)n(CC(=O)Nc2nc3c(s2)CN(CC)CC3)c2ccccc21 21296296 ZNWNGJUFOLCIPC-UHFFFAOYSA-N 399.520 2.686 0 40 GFAB CCOc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n2nc(C)cc12 32836372 ZDENPDGUVFVTOZ-UHFFFAOYSA-N 376.416 2.995 0 40 GFAB C[C@@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1 41281346 VGOSBGBQIXHPND-CQSZACIVSA-N 392.452 2.629 0 40 GFAB O=C(OCc1noc(-c2ccc(F)cc2)n1)c1ccc(Cn2cncn2)cc1 21921597 BGDUYZAWZKJCKM-UHFFFAOYSA-N 379.351 2.873 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 22593473 JFFBEIHNVPTXFS-UHFFFAOYSA-N 387.461 2.915 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CSC)c1 22699248 RWHUJPWHKVMRDZ-UHFFFAOYSA-N 382.463 2.503 0 40 GFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1 892643 RALKQNKQXMQZOB-UHFFFAOYSA-N 398.444 2.603 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccn2)CC1 23762958 AAQUEKRQIIIOJX-UHFFFAOYSA-N 386.304 2.895 0 40 GFAB COCc1c(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)oc2ccccc12 7836360 QATGQXAIIFXVNJ-GFCCVEGCSA-N 388.420 2.893 0 40 GFAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1cccnc1)NCc1ccccc1 101113959 RYVJLFJBXVEKBE-LHLOQNFPSA-N 385.427 2.583 0 40 GFAB O=c1ccc(-c2ccc(Cl)cc2)nn1CN1CCN(c2ccccn2)CC1 72404860 IMUZUGWSIROGFG-UHFFFAOYSA-N 381.867 2.738 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)no1 8726118 VROWXVGVRGWQBN-UHFFFAOYSA-N 398.492 2.890 0 40 GFAB O=C(NC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 25371736 BJBKAZYNDRYGLB-UHFFFAOYSA-N 376.453 2.550 0 40 GFAB CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc2c(c1)OCCO2 55963713 YGDLIHZARMPYQH-NVXWUHKLSA-N 384.432 2.667 0 40 GFAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(c2ccccc2O)CC1 26258024 UBVJHXNDTJVUNE-LJQANCHMSA-N 382.460 2.912 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)c2cccs2)c1 3224833 GMLONMBNIVWUDR-UHFFFAOYSA-N 377.418 2.910 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O)c(Cl)c3)C2=O)o1 105979093 XYMXFOCEXVLVEL-GHXNOFRVSA-N 376.752 2.518 0 40 GFAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)NC[C@H]1CCCO1 10587951 VIEXKMGTIAVNCI-QGZVFWFLSA-N 387.407 2.857 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 12776026 HRNRQQJHAFHOFB-UHFFFAOYSA-N 396.468 2.843 0 40 GFAB Cc1nc(CN2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cs1 45358659 NXFTUALFLBNQJK-UHFFFAOYSA-N 381.505 2.970 0 40 GFAB O=C(CNc1ccccc1Cl)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11117008 BQXHQHDYRDWMEV-HNNXBMFYSA-N 378.881 2.972 0 40 GFAB CCOC(=O)C1CCN(c2ncnc3c2[nH]c2cc(OC)c(OC)cc23)CC1 2440865 ULSTXJHCCLCLGM-UHFFFAOYSA-N 384.436 2.908 0 40 GFAB Cc1nc2c(sc3ncccc32)c(=O)n1CC(=O)NCc1ccc(F)cc1 46153722 MLLWNTXQVADLHV-UHFFFAOYSA-N 382.420 2.770 0 40 GFAB CCOc1ccccc1-c1noc(CN2Cc3ccccc3C[C@@H]2C(N)=O)n1 12889030 ZNKOXBJXJVRVBQ-QGZVFWFLSA-N 378.432 2.548 0 40 GFAB CCN(C)C(=O)c1cccc(C(=O)Nc2cccc(N3CCCNC3=O)c2)c1 84760790 FRDSAGNWSMPDKW-UHFFFAOYSA-N 380.448 2.951 0 40 GFAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 12916442 PMUMEMRGPZLPCF-PVAVHDDUSA-N 389.525 2.990 0 40 GFAB Cc1cc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)ccc1Br 12973267 RATWYFQAEGUCDM-SECBINFHSA-N 381.255 2.601 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)c1cnc2c(cnn2C(C)C)c1 12971768 HBDLNXGAZNTYEA-UHFFFAOYSA-N 385.493 2.852 0 40 GFAB CCC(=O)c1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 6029137 RPSGDLLZFNFQAD-CYBMUJFWSA-N 399.399 2.957 0 40 GFAB O=S(=O)(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C1CCCCC1 72272310 RKXNAEMQNWBWRG-SFHVURJKSA-N 386.945 2.965 0 40 GFAB Cc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)nc(N2CCCCCC2)n1 65101764 WARVVXOWYUNJDJ-UHFFFAOYSA-N 398.463 2.589 0 40 GFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncccc3O)c2)cc1 39975852 AUNALXYAEYGYBV-UHFFFAOYSA-N 399.428 2.849 0 40 GFAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6539635 ZIJIQKCSNYSBFU-CQSZACIVSA-N 394.427 2.805 0 40 GFAB COc1ccc(CCNC(=O)Cn2c(=O)oc3ccc(Cl)cc32)cc1OC 6760297 VQHGTHBWCAJSGQ-UHFFFAOYSA-N 390.823 2.624 0 40 GFAB C[C@@]1(NC(=O)CSc2nc3cc(Cl)ccc3s2)CCS(=O)(=O)C1 7544452 IVHLDMSJUGUKSV-CQSZACIVSA-N 390.939 2.735 0 40 GFAB COC(=O)C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(OC)c(OC)c1 16105209 IALKMCVBJJIKGR-KRWDZBQOSA-N 397.427 2.900 0 40 GFAB COc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1S(=O)(=O)N(C)C 7978165 FJJUMNPWEGZGDQ-UHFFFAOYSA-N 376.478 2.744 0 40 GFAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCSCC1 95477664 CFMBBDSOTALFMY-UHFFFAOYSA-N 395.956 2.734 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCSc3ccccc32)C1=O 8644560 CBFCSWGDMJKGDD-NRFANRHFSA-N 395.484 2.983 0 40 GFAB Cc1c([C@H](C)NC[C@H](Cc2ccc(F)cc2)C(N)=O)nnn1-c1ccc(F)cc1 95996196 ASLHZULZYOICOS-BBRMVZONSA-N 399.445 2.849 0 40 GFAB CN(CC1CCCC1)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 75094011 GFTIEAVMKBKEJM-UHFFFAOYSA-N 375.469 2.578 0 40 GFAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)cc1 408977915 ZHNIZESIOMRCCC-UHFFFAOYSA-N 386.367 2.732 0 40 GFAB O=C(NS(=O)(=O)c1cc(F)ccc1F)c1cc(Cl)c2c(c1)OCCO2 89769687 FMUQWBJYPHZYIP-UHFFFAOYSA-N 389.763 2.508 0 40 GFAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 24606299 JCMGUPSYQJOPGB-UHFFFAOYSA-N 390.596 2.797 0 40 GFAB COCCn1cnnc1CN(C)Cc1c(-c2ccccc2)nc2ccccn12 1506415992 CBHNXDHCQXFDOU-UHFFFAOYSA-N 376.464 2.871 0 40 GFAB CCc1ccc(-c2noc([C@H](C)NC(=O)[C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@H]4[C@H]75)n2)cc1 558631341 OXTJCFFBOZCYRD-SLGIDQTRSA-N 389.455 2.803 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218428272 DIILFAYCTWVVDP-RYRKJORJSA-N 379.865 2.540 0 40 GFAB Cc1ccc(C)c(N2CCN(C(=O)CN(CC(=O)O)c3ccccc3)CC2)c1 34926589 HNGBPMPULFXPML-UHFFFAOYSA-N 381.476 2.543 0 40 GFAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1N(C)S(C)(=O)=O 30866794 MTPPRBRRLJQUGD-UHFFFAOYSA-N 398.488 2.507 0 40 GFAB COc1cc(OC)cc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 218900307 OWZMGMQVAZAORO-UHFFFAOYSA-N 383.404 2.791 0 40 GFAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCNC(=O)C2)C12CCCCC2 71288446 BUUXWHGIUXYUQY-HXUWFJFHSA-N 397.519 2.687 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)NC[C@@](O)(c1ccccc1)C(F)(F)F 70762660 JFAAEOBUXWBMKI-OAHLLOKOSA-N 377.359 2.695 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(N3CCCC(C)(C)C3)c2C1 72372182 VTYQCEUWBNQXIL-QGZVFWFLSA-N 385.556 2.817 0 40 GFAB COc1cccc(-c2noc(CN3CCN(C(=O)c4ccccc4)CC3)n2)c1 49590360 UJAGTEMDCXVTBR-UHFFFAOYSA-N 378.432 2.703 0 40 GFAB CC[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1 44884042 JTRQQPXYLRKKKG-IBGZPJMESA-N 390.505 2.724 0 40 GFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1CCCN1CCOCC1 223167840 UORXBURSLLEINS-ROUUACIJSA-N 388.562 2.838 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 229939174 UHHOZHBNHLXTDL-FZONSQQESA-N 392.455 2.685 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223001026 BDHYPFOAJGKQEV-PMACEKPBSA-N 393.516 2.945 0 40 GFAB COc1cccc(CCNC(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)c1 49026305 XCGLNDHEGALANI-UHFFFAOYSA-N 389.402 2.574 0 40 GFAB O=C(NC[C@@H](O)c1csc2ccccc12)C(=O)Nc1cc(F)ccc1F 225698202 UZOHYZNKHNNYQG-OAHLLOKOSA-N 376.384 2.968 0 40 GFAB CCN(CC(=O)N(C)Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 226056050 MXFFAXMSIPPWFO-UHFFFAOYSA-N 394.468 2.504 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1sc(Cl)nc1Cl 48310994 SPWVGGUDRUYMPH-CYBMUJFWSA-N 385.276 2.787 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1F 224161665 FMEVQEWDZXMDPI-UHFFFAOYSA-N 380.441 2.656 0 40 GFAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1C[C@@H]1CCCO1 40398067 PIINXIXCBLIJJQ-LBPRGKRZSA-N 381.823 2.939 0 40 GFAB O=C(NCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 224355020 KMMXENSVRCSTSA-UHFFFAOYSA-N 394.512 2.984 0 40 GFAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C(=O)Cc2ccccc2)C1 96244511 VTCZABHESVTYGZ-QHCPKHFHSA-N 392.503 2.850 0 40 GFAB CCN1C[C@@]2(CC1=O)CN(Cc1ccco1)CCN(C(=O)Nc1ccccc1)C2 97952809 HBEIRXXOSVVGDZ-JOCHJYFZSA-N 396.491 2.868 0 40 GFAB N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 582229155 MPBSOWSHDHSZLE-UYAOXDASSA-N 386.496 2.564 0 40 GFAB O=C1[C@@H](NS(=O)(=O)CCC2CCC2)CCN1c1ccccc1OC(F)F 585084732 BWJSQXRELLMKGG-ZDUSSCGKSA-N 388.436 2.503 0 40 GFAB CSCC[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1nc2ccccc2[nH]1 611195964 ZWYASHXPKBXRKA-CQSZACIVSA-N 382.449 2.535 0 40 GFAB CO[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1C 96105162 UJKLVFBLOVZSKU-LJQANCHMSA-N 395.459 2.564 0 40 GFAB Cn1c(-c2ccccc2)c[nH]/c1=N\C(=O)[C@H](c1ccc(F)cc1)N1CCOCC1 36752542 YEFVAVPVEMGCSQ-FQEVSTJZSA-N 394.450 2.660 0 40 GFAB Cn1nc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)n(C2CC2)c1=O 77148857 FCVKELSBWUQOMO-UHFFFAOYSA-N 399.476 2.653 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615121794 NVVSRHLXOWCQFN-NRFANRHFSA-N 386.471 2.574 0 40 GFAB COc1c(C)cccc1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159659 PFEFIYFFSXTHQG-JOCHJYFZSA-N 380.444 2.652 0 40 GFAB COc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC 12188402 AAGWMJJXSISQLQ-HXUWFJFHSA-N 398.503 2.865 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)CC1=O 12766259 PCBCYKUBXVOMMH-HZPDHXFCSA-N 396.443 2.643 0 40 GFAB COc1cccc(CNC(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1 17069985 QWFILKUUHCUBHX-UHFFFAOYSA-N 399.491 2.740 0 40 GFAB COc1cc(CC[C@H](NC(C)=O)c2cccc(O)c(=O)c2)cc(OC)c1OC 17161744 UYCXOJZDDYJBJN-INIZCTEOSA-N 387.432 2.588 0 40 GFAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cccc(O)c2)CC1 19291275 WOPKKVNVUQGXIT-OAQYLSRUSA-N 396.466 2.669 0 40 GFAB Cc1nn(C)cc1C(=O)N1CC[C@H](n2nc(-c3cccs3)ccc2=O)[C@@H](C)C1 19583438 LXNKVZOOFFIRTA-GUYCJALGSA-N 397.504 2.737 0 40 GFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(c2nc(C)cc(C)n2)CCO1 19702684 BLRVSEGUQRJSRT-AWEZNQCLSA-N 383.477 2.641 0 40 GFAB O=C(CSc1ccncc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 252490966 LGSSYTQDUSFJRQ-UHFFFAOYSA-N 383.521 2.628 0 40 GFAB COCc1ccc(C(=O)OCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 5255082 UPGARPYGUMVUIF-UHFFFAOYSA-N 385.372 2.560 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 5615636 ZAXODCYVCAIFGB-KPKJPENVSA-N 390.461 2.606 0 40 GFAB Cc1ncnc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1C 1888843932 BYAWGUUXDUXXPW-OKILXGFUSA-N 391.397 2.716 0 40 GFAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1ccc(C(F)(F)F)nc1 1888897272 IPWSPSZIYANZGM-OAHLLOKOSA-N 376.338 2.750 0 40 GFAB CC[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(OC)cc1 23649843 HWCRKCHSSRTBDT-KRWDZBQOSA-N 387.480 2.907 0 40 GFAB CO[C@]1(COc2ccccc2)CCCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 2037916187 UBPHOLGVQDESCA-GOSISDBHSA-N 397.397 2.989 0 40 GFAB O=C1COC[C@@]2(CN(Cc3ccc(F)c(F)c3)CCO2)CN1c1ccccc1 2037984039 NZTOOXKBNAYBTN-OAQYLSRUSA-N 388.414 2.599 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc1 4916461 KGDUCGFEPDWFFO-UHFFFAOYSA-N 397.504 2.939 0 40 GFAB CCOCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 5252978 VOSYNVQWLXYUPP-UHFFFAOYSA-N 380.491 2.865 0 40 GFAB O=C1CCCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 5329759 ODIRPQRZWCMDKQ-UHFFFAOYSA-N 388.445 2.776 0 40 GFAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 8962361 JGLRTLVMONYEEM-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC(C(N)=O)CC3)c(O)n2n1 22853763 GVQRVWPZSGDVPK-INIZCTEOSA-N 399.520 2.654 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCCCc1cnc2cc(C)nn2c1 207995715 BJRYWIQKETYLDD-UHFFFAOYSA-N 394.884 2.611 0 40 GFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2Cl)CC1 43941555 IBIGDDVLIORQHD-UHFFFAOYSA-N 394.903 2.615 0 40 GFAB Cc1nccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)n1 575612671 LPVBRRPDMCPXOD-CYBMUJFWSA-N 387.383 2.646 0 40 GFAB COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1 2498407 MAWIXPMQLRZQDK-UHFFFAOYSA-N 388.474 2.524 0 40 GFAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 30314640 KYMZYUGDARGRKW-LLVKDONJSA-N 398.850 2.906 0 40 GFAB Cc1cc(C)n2nc(CC(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)nc2n1 40131388 NEALKSYGNFUKEQ-FQEVSTJZSA-N 395.463 2.568 0 40 GFAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)CC(O)=N2 20731876 NSVRMRCUGYGFOW-QGZVFWFLSA-N 391.427 2.787 0 40 GFAB CCc1sc(C(=O)NCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1C 32460224 PAVODQWGCHMLEO-AWEZNQCLSA-N 397.504 2.755 0 40 GFAB COc1cc(-c2noc(COC(=O)c3cnc(C)cn3)n2)ccc1OC(F)F 21171232 XAWCBELPQBJGHZ-UHFFFAOYSA-N 392.318 2.802 0 40 GFAB Cc1cc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(C(C)C)n1 32808489 LYAAFRHLPAGDOO-UHFFFAOYSA-N 392.500 2.949 0 40 GFAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCN3C=O)cc1 32932953 JSEYWMOIOKVWKI-HXUWFJFHSA-N 386.473 2.740 0 40 GFAB CNC(=O)[C@@H]1CCCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 33212925 ZYKBEHZZHWXWMH-HNNXBMFYSA-N 395.488 2.737 0 40 GFAB C[C@H](CNC(=O)CCNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 53026181 WTLVRWFXJTWRDE-MRXNPFEDSA-N 383.467 2.509 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2ccccc2CN(C)C)cc1 22695403 BARBCXDLAPTJOV-WKOYGUFESA-N 395.503 2.591 0 40 GFAB Cc1cc(I)ccc1NC(=O)C(=O)NCc1ccccc1 3153552 NKNNHUHGWPQIES-UHFFFAOYSA-N 394.212 2.855 0 40 GFAB C[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)c(Cl)c1 95369438 RGNIUBHKGWQIEE-LLVKDONJSA-N 381.835 2.911 0 40 GFAB Cn1cc(Br)cc(NC(=O)C[C@H]2OCCc3ccccc32)c1=O 79049581 NORHMPWKXSPWLU-OAHLLOKOSA-N 377.238 2.790 0 40 GFAB CCOC(=O)N1CCc2c(sc3ncn(CC(=O)c4ccccc4)c(=O)c23)C1 1036137 SODUHQNSVFIGMB-UHFFFAOYSA-N 397.456 2.856 0 40 GFAB Cc1ccccc1Cn1c(N[C@H](C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 1275548 KBCJVIVXAKAHOT-OAHLLOKOSA-N 389.459 2.953 0 40 GFAB COc1ccc(OCC(=O)Nc2nn3c(-c4cccs4)nnc3s2)cc1 6818234 INYMRCARIJAVDQ-UHFFFAOYSA-N 387.446 2.940 0 40 GFAB CNC(=O)COc1ccc(CNC(=O)CSc2ccccc2Cl)cc1 55856640 GBIQWXKXYDRRCR-UHFFFAOYSA-N 378.881 2.873 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O 57427291 KUJXRHDECZPRPR-UHFFFAOYSA-N 383.473 2.614 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(c2nnc3ccccn23)CC1 57895893 LCHIDVCHUVRSQL-INIZCTEOSA-N 399.495 2.835 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1OC 9063866 UCYZMFXDIBLKIX-UHFFFAOYSA-N 396.896 2.967 0 40 GFAB COc1cc(CN(C)Cc2nnnn2-c2ccccc2)ccc1OC(F)F 58040679 UZNGDEZUTKWXDH-UHFFFAOYSA-N 375.379 2.904 0 40 GFAB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)s1 58214492 QVOOWSUHXJFTGC-BLLLJJGKSA-N 378.519 2.781 0 40 GFAB Cc1coc2cc3oc(=O)c(CCC(=O)N4CCC(C(N)=O)CC4)c(C)c3cc12 2130048 UVVJQTSPMMNUAT-UHFFFAOYSA-N 396.443 2.813 0 40 GFAB biogenic O=C(CSc1nc2ccccc2o1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404035 QEKQZADUAZWLDQ-KBPBESRZSA-N 381.457 2.728 0 40 GFAB COc1c2c(cc3c1[C@H](Cc1cc(N)c4ccccc4[n+]1C)N(C)CC3)OCO2 20112709 XEPPVVCGCAFDLT-IBGZPJMESA-O 392.479 2.756 0 40 GFAB C[C@H](CCc1ccco1)NC(=O)[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 12762202 YIXMRVHVOLYXCV-XWIAVFTESA-N 390.480 2.699 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCc1nc(-c2ccccc2)no1 24659991 BQUAERPOHRSFCK-INIZCTEOSA-N 379.416 2.968 0 40 GFAB CCc1cc(C(=O)N2CCN(C)CC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 36621735 AASZPGSWDMPTKJ-UHFFFAOYSA-N 393.491 2.688 0 40 GFAB CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2S1(=O)=O 48374374 DXVMQBOZUHSXGR-QGZVFWFLSA-N 398.484 2.698 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 12877364 WWSRGSBBVOMNLE-UHFFFAOYSA-N 389.455 2.697 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 11781230 VGNZIVUDJDSTCO-UHFFFAOYSA-N 377.400 2.721 0 40 GFAB O=C(/N=c1\sccn1Cc1ccccc1Cl)[C@@H]1CC(=O)N(C2CC2)C1 29651725 DAGARJBXJJAEBO-MYXCPXAOSA-N 375.881 2.690 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)NCCCN3CCC(C)CC3)CC2=O)c1 28067281 HTUKWIZYHZCDKX-QGZVFWFLSA-N 389.565 3.000 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 11917996 WBEUWLBNPSNHMY-UHFFFAOYSA-N 387.436 2.777 0 40 GFAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(Br)c1 2650861 HISISMMLIPNUMT-UHFFFAOYSA-N 375.270 2.605 0 40 GFAB Cc1ccc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)nc1 27973436 UTRYWQAJXMLMDZ-UHFFFAOYSA-N 389.257 2.920 0 40 GFAB CCCC1(CCC)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)cc2C)C1=O 3459344 LMLLLLQKMHEVOZ-UHFFFAOYSA-N 388.468 2.842 0 40 GFAB CCc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)s1 47123722 VIPARASTQYYYHH-OAQYLSRUSA-N 397.500 2.926 0 40 GFAB CCC(=O)N[C@@](Nc1nc2c(C)cccc2s1)(C(=O)OC)C(F)(F)F 9111085 NDLCYWZNNDCKIJ-CQSZACIVSA-N 375.372 2.974 0 40 GFAB COC(=O)c1cc(-c2ccc(OC)cc2F)nc2nc(SC)[nH]c(=O)c12 13111346 STOIEVWEJNIHDK-UHFFFAOYSA-N 375.381 2.641 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCCC2)Oc2ccc(Cl)cc21 38832584 XGGKKSFSVTUBIU-INIZCTEOSA-N 386.901 2.706 0 40 GFAB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c1 96012515 FQGCUJRWQVXWIU-LJQANCHMSA-N 387.461 2.764 0 40 GFAB COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)CCSc1ccc3c(c1)OCCO3)C2 96007868 ZPUFXDXSNHZOCX-JLTOFOAXSA-N 391.489 2.742 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 4157206 LGTCEORWSVLHET-RDJZCZTQSA-N 397.818 2.637 0 40 GFAB Cc1ccc(N2C(=O)[C@](NC(=O)Cc3ccccc3)(C(F)(F)F)N=C2O)cc1 13655550 HCEJMNDEBQXQIV-GOSISDBHSA-N 391.349 2.873 0 40 GFAB C[C@H](NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 6114116 YVYNTKQDNJQWPS-INIZCTEOSA-N 380.444 2.843 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(C(C)C)s2)cc1 9306807 RAJFSXUTTYTZAO-CQSZACIVSA-N 394.522 2.762 0 40 GFAB COC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc(C)c1C 9455182 KXUVPVRSMFAPNF-UHFFFAOYSA-N 396.490 2.654 0 40 GFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccc(F)cc1 4728182 OPGFWSYEBAXZBO-UHFFFAOYSA-N 379.317 2.814 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(I)c1 5631410 WMMMKGFMKRLTDR-CYBMUJFWSA-N 395.196 2.861 0 40 GFAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(c2ccccn2)CC1 6880780 LBDPXRQUVNBMNP-UHFFFAOYSA-N 399.451 2.712 0 40 GFAB COCCCn1c(SCc2cc(Br)ccc2F)n[nH]c1=O 67006731 LKXYPNRNVCQSPU-UHFFFAOYSA-N 376.251 2.802 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3cccnc3)C[C@H]21 306129083 HTYSEFLFGYCLCU-TZIWHRDSSA-N 377.469 2.899 0 40 GFAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7599938 RGBWXBHWKPEPEV-UHFFFAOYSA-N 376.453 2.543 0 40 GFAB CCOc1ccc(CCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1OCC 7987010 YJVRYQBASKXUSS-HXUWFJFHSA-N 383.444 2.924 0 40 GFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(N(C)C)cn1 68801654 VOCYPHPYRHIKLN-KRWDZBQOSA-N 376.407 2.819 0 40 GFAB COc1cc(CNS(=O)(=O)c2cccc(C(C)=O)c2)ccc1OC(F)F 8057913 XUROWBLTKCXGHG-UHFFFAOYSA-N 385.388 2.978 0 40 GFAB O=C(NCCCn1cnc2ccccc21)c1cccc(CN2CCCC2=O)c1 8136752 DIHVBNPWCUIVOZ-UHFFFAOYSA-N 376.460 2.979 0 40 GFAB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1cccc(F)c1 16793863 LRJWSROUWQCHMY-AWEZNQCLSA-N 395.390 2.615 0 40 GFAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc2n1 8283035 AQCLXUZUYCHANJ-ZDUSSCGKSA-N 377.404 2.959 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)N1CC[C@H]2CCCC[C@@H]2C1 8339891 LKELSVOUYLUICZ-ZIAGYGMSSA-N 377.539 2.914 0 40 GFAB CC(C)n1ncc2cc(NC(=O)NC[C@@H]([C@@H]3CCOC3)N3CCCC3)cnc21 69922902 XETNWMFXHOFFCA-QAPCUYQASA-N 386.500 2.635 0 40 GFAB C[C@@H](SCCOc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 9690749 QHNJQVFSMROBIW-ZBFHGGJFSA-N 399.578 2.788 0 40 GFAB CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccccc1 20105235 ANRUPRSGDZQFCZ-SFHVURJKSA-N 376.478 2.729 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnc2ccccn12 8924355 PBBRNSDKKRDFKV-UHFFFAOYSA-N 378.461 2.666 0 40 GFAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCn3c(n[nH]c3=O)C2)cc1Cl 95941539 AOZQSANFIVPKMI-GOSISDBHSA-N 397.866 2.729 0 40 GFAB O=C(COc1ccc(F)cc1Br)Nc1ccc2[nH]c(=O)[nH]c2c1 22315839 XKADAYRXBDUEOB-UHFFFAOYSA-N 380.173 2.775 0 40 GFAB COCCN1CC[C@@]2(CN(Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306129920 IQQLTRAKSMRJIT-NQIIRXRSSA-N 386.496 2.522 0 40 GFAB O=C(NCc1cccnc1)c1ncc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]21 306129122 HVCBCEUSPKROKP-IEBWSBKVSA-N 391.450 2.576 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)C2)n1 525992982 XSVUDDXHLRBEPF-IXJTTXRYSA-N 391.515 2.961 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 30864588 LAXQTDBORBRQFN-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218482627 SJKWFDKKFKNNHK-JZXOWHBKSA-N 380.849 2.651 0 40 GFAB CN(C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)C1CCCCC1 72347193 LFRZOIVQFGPUFT-UHFFFAOYSA-N 379.464 2.713 0 40 GFAB COc1cc(OC)cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 218888157 DFWFXQYOHLADMB-UHFFFAOYSA-N 397.431 2.519 0 40 GFAB COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cn1 79482139 DAXXZQXVKUGWLT-UHFFFAOYSA-N 394.431 2.544 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)c(C)c1 225941582 KOJKWAQUCJNIDE-QRWLVFNGSA-N 386.473 2.859 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)NCC2CCCCC2)S(C)(=O)=O)cc1 223709093 KEJYHZFQMGTYEH-HNNXBMFYSA-N 382.526 2.936 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(C)cc1 225632542 JLFIYXZRFLJHDI-IBGZPJMESA-N 390.505 2.865 0 40 GFAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224308687 XHDSVQNVIVBHSE-MRXNPFEDSA-N 390.505 2.898 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)N3CCOc4cc(O)ccc4C3)CC2=O)c1C 572007556 WKGWFBCIPACTIH-QGZVFWFLSA-N 380.444 2.783 0 40 GFAB COc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 226037793 SUMWAOVKFNHZMP-UHFFFAOYSA-N 390.505 2.904 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCc2ccc(C(C)C)cc2)C1 222618163 PZARENVFROJSAC-LJQANCHMSA-N 380.554 2.921 0 40 GFAB CCOC1CC2(CCN(C(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)C2)C1 579686004 DWYUBWSQSDZNCD-OHTSDLOESA-N 375.444 2.532 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1ccnc(C2CC2)n1 584675609 VKVCJUVCJBMJFA-UHFFFAOYSA-N 387.461 2.559 0 40 GFAB COC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 242750293 ZKJMIFCSCOFZLW-ZACQAIPSSA-N 396.306 2.733 0 40 GFAB COC(=O)CS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 255190218 VRXOEUCXQWZKLF-UHFFFAOYSA-N 392.864 2.901 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccsc1)c1ccco1 253473130 RRPOCKBXKUSMKE-HXUWFJFHSA-N 388.489 2.700 0 40 GFAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCCCN2S(C)(=O)=O)n1 257250716 JNTBISCLFBBXBL-MRXNPFEDSA-N 375.450 2.637 0 40 GFAB Cc1cc(C)c2[nH]c(CCC(=O)N(C)[C@@H]3CC[C@@H](n4ccnc4)[C@@H]3O)nc2c1 257286092 PKEJZGMAMHUGAI-CBGDNZLLSA-N 381.480 2.532 0 40 GFAB Cc1cccc(Cn2c(=O)c3nscc3n(Cc3c(C)noc3C)c2=O)c1 90610258 YMNUVEPOVRUAFE-UHFFFAOYSA-N 382.445 2.630 0 40 GFAB O=C(O)CCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 149125627 NSVCCHBUMXZEHM-UHFFFAOYSA-N 390.439 2.694 0 40 GFAB NC(=O)[C@@H]1CC[C@H](C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)O1 585123819 ARMJHFDYYGTWIR-UXLLHSPISA-N 390.892 2.909 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 585104636 JZCPOHBHBKVPEI-SFHVURJKSA-N 379.497 2.898 0 40 GFAB COc1ccccc1C(=O)N[C@H](C(=O)NCCN1CCc2ccccc21)C(C)C 72306411 ZCECUHKMRCXJBG-NRFANRHFSA-N 395.503 2.629 0 40 GFAB O=C(COC(=O)[C@@H]1SCCc2sccc21)NCc1ccc2c(c1)OCO2 72305586 JIZXXEFOLOYCDT-QGZVFWFLSA-N 391.470 2.667 0 40 GFAB CC[C@@H]1CN(C(=O)CCc2ccccc2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595029 QXYDQYNIJAUFTR-GXRSIYKFSA-N 388.552 2.576 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2cccnc2)ccc1=O 11745532 FSNHDZVLIOGBNC-UHFFFAOYSA-N 398.850 2.544 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1)(Nc1cc(C)cc(C)n1)C(F)(F)F 13144255 IMGRMFPVLFHBFO-QGZVFWFLSA-N 381.354 2.972 0 40 GFAB C[C@H]1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)[C@@H]2CCCC[C@@H]12 15673643 RERZDHKTOIPMBG-OFQRWUPVSA-N 391.493 2.570 0 40 GFAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3cnc(C)nc3C)CC2)c1 19749871 FIVUFMCDKZMAHC-SFHVURJKSA-N 396.491 2.869 0 40 GFAB CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 4415297 QNVRQUZXNLRIRX-NOMGLIDZSA-N 378.428 2.685 0 40 GFAB CC1(C)C[C@H](CC(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)C(=O)O1 12187040 NPDXJAQFBCCAAU-HNNXBMFYSA-N 384.436 2.569 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 12187666 IRFUPGDHIHRSKU-ZIAGYGMSSA-N 397.410 2.839 0 40 GFAB O=C(NC[C@@]1(O)CCCc2sccc21)C(=O)Nc1ccc(F)c(Cl)c1 1889149383 GPBFEPZOOWDONZ-KRWDZBQOSA-N 382.844 2.819 0 40 GFAB COc1ccc([C@@H](CNC(=O)Cc2noc3ccccc23)N2CCOCC2)cc1 14228631 XIRHRWXYGCPHAE-HXUWFJFHSA-N 395.459 2.569 0 40 GFAB O=C(NCCc1ccccc1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 2952218 QHPXCFZMIPEHBS-UHFFFAOYSA-N 399.450 2.711 0 40 GFAB CCCCn1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 4250991 ZYVQSSJSSSVEIY-UHFFFAOYSA-N 379.464 2.615 0 40 GFAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCc1ccccc1 4304434 GEOAKSIBZAUDKK-UHFFFAOYSA-N 390.439 2.898 0 40 GFAB COc1ccc(-n2nnc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1OC 5057445 NHCQWSLVLPNQDM-UHFFFAOYSA-N 397.822 2.696 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)CCc1ccccc1 5075804 ONHVCXQFDODBEX-UHFFFAOYSA-N 394.518 2.519 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 9038563 SRXQADLPOQRDLX-KRWDZBQOSA-N 390.480 2.770 0 40 GFAB O=C(NC1CCCC1)c1cnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2 2055750912 LKEUIIDOCXUFKS-UHFFFAOYSA-N 387.871 2.650 0 40 GFAB CC(C)CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 585146907 GTTPVIIUKQDTKW-NSHDSACASA-N 385.960 2.625 0 40 GFAB CCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc(OCC)c1OCC 10255663 BSTXBJYCQJBHFP-QGZVFWFLSA-N 398.459 2.940 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19134320 HQWOADNYNBSEJQ-SFHVURJKSA-N 396.491 2.572 0 40 GFAB CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)n4ccsc4n3)C2=O)cc1 5798094 CGEODIRMOPNUKK-HXUWFJFHSA-N 396.472 2.847 0 40 GFAB O=C(O)CCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 112124605 RPZDZVQYENRHPO-MRXNPFEDSA-N 398.440 2.914 0 40 GFAB CCOC(=O)c1cn(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)nc1C 40158206 IICWCAMXMBZILP-UHFFFAOYSA-N 396.491 2.883 0 40 GFAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40104974 ZODVNZUNKYUVSF-IBGZPJMESA-N 387.480 2.863 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1Br 40149707 VXWYQHUUQIJULQ-DZGCQCFKSA-N 390.299 2.790 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)c2ccc(Cl)cc2)CC1 40158748 HGHWTLVXMSCGSX-UHFFFAOYSA-N 382.844 2.576 0 40 GFAB Cc1nc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)nn1-c1ccc(F)cc1 32764984 YCPDPGBENARYSS-UHFFFAOYSA-N 393.422 2.619 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)CCn1cnc2sccc2c1=O 21404624 OMBAHFZSCVDARG-UHFFFAOYSA-N 384.461 2.627 0 40 GFAB CCC(=O)NCC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 52357998 CVQOXQYRYADDNP-UHFFFAOYSA-N 389.496 2.725 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC([C@@H](O)c2ccccc2)CC1 32905169 QYAXSJVOCLFQLZ-NRFANRHFSA-N 392.455 2.645 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)n(-c2ccccc2F)n1 47450414 DEYJJEJKIHJBOY-UHFFFAOYSA-N 378.363 2.555 0 40 GFAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1 78789942 LLAOCXQZTLXVPX-UHFFFAOYSA-N 381.410 2.880 0 40 GFAB O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Br 1005404 PXZGSPODRSTZJE-UHFFFAOYSA-N 391.250 2.746 0 40 GFAB Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCc2ccccc2[C@H]1CO 79111260 SUHNORPVSHXRNA-OAQYLSRUSA-N 381.476 2.955 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)[C@H](C)N3Cc4ccccc4C3=O)c2c1 79192537 GNLUZPYFRMQSGP-AWEZNQCLSA-N 377.444 2.880 0 40 GFAB biogenic CN(CC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1)c1ncccn1 23174076 YYLHUIDEEFNVEX-UHFFFAOYSA-N 376.416 2.909 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2c(C)noc2C)sc2c1CCC2 4166989 VQHAZMIRVLSVOB-UHFFFAOYSA-N 392.433 2.814 0 40 GFAB CCOc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 23732350 BPXFTDLPNYAVJS-SFHVURJKSA-N 390.505 2.715 0 40 GFAB COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NC[C@@H]2CCCO2)cc1 4889889 MWEQCFWBMURFCJ-DOTOQJQBSA-N 375.446 2.950 0 40 GFAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)NCC1CCCCC1 4968084 YVQXFLOOZJZFGJ-UHFFFAOYSA-N 379.254 2.675 0 40 GFAB COc1ccc(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 6061823 PGJZDNFDWKEWBY-OAHLLOKOSA-N 381.432 2.899 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1c[nH]c3ccccc13)CC2 7007500 ONTMNMHQMVNFAA-UHFFFAOYSA-N 394.427 2.927 0 40 GFAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCC(C(N)=O)CC1 7459044 MKSGLEOBDIPMAN-UHFFFAOYSA-N 389.883 2.756 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Cl 7685713 YQNYHJYXTMVYPY-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CC(=O)Nc1ccc2c(COC(=O)CCc3c(C)nn(C)c3C)cc(=O)oc2c1 57710203 NACFDOMMZUYXMI-UHFFFAOYSA-N 397.431 2.778 0 40 GFAB COc1ccc2c(C)c(CC(=O)NCC3CCC(C(=O)O)CC3)c(=O)oc2c1 2099317 QNLUSZOWHYRJRU-UHFFFAOYSA-N 387.432 2.660 0 40 GFAB biogenic CC[C@@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)CCO1 58208674 CFSXKHYDHRUCBF-CQSZACIVSA-N 378.523 2.880 0 40 GFAB COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c(OC)c1 101319451 UALIABQOEVDVNS-SFHVURJKSA-N 393.443 2.649 0 40 GFAB O=C(COC(=O)c1cccc(-c2ccc(O)cc2)c1)NC(=O)NC1CCCC1 3367431 QNPSZOFKYXTLIB-UHFFFAOYSA-N 382.416 2.984 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 20768446 NKGWMHUSPDIECO-UHFFFAOYSA-N 380.416 2.679 0 40 GFAB O=C(Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1)c1cccc(Cl)c1 102621582 AFJMHFZDTKWYHG-UHFFFAOYSA-N 395.806 2.902 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCC1 100444118 DJYKBYCMIDUIAN-RKVPGOIHSA-N 392.521 2.788 0 40 GFAB COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(OC)c1 20484464 PCOAPGWVMHESBL-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB CCOC(=O)c1oc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C 95455175 CHAMEZHWZAPGNX-UHFFFAOYSA-N 378.328 2.979 0 40 GFAB CCCC[C@@H](c1nnnn1CCOC)N1CCN(c2ccc(F)cc2)CC1 57670061 WCFAVVLIPPDRJN-SFHVURJKSA-N 376.480 2.512 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1cccc(F)c1 22363466 MVVJNCKIEOWFCM-SFHVURJKSA-N 376.453 2.786 0 40 GFAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2c(F)cccc2Cl)CC1 28233815 BEAPPARSKGOKKY-UHFFFAOYSA-N 387.846 2.568 0 40 GFAB CCCCNC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3415709 DLHVZCZHLRBXDF-UHFFFAOYSA-N 380.400 2.560 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 113965126 INYLZWFQHJHSNK-UHFFFAOYSA-N 382.432 2.827 0 40 GFAB Cc1nn(C[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2O)c(C)c1Br 2794809 VOIYPLMQNVLASY-MRVPVSSYSA-N 396.241 2.941 0 40 GFAB C[C@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(F)cc1 13042179 HEXZVCZXKAKGSX-NSHDSACASA-N 397.372 2.991 0 40 GFAB COC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(O)n2n1 9305451 SVHQWVHWOZMBNS-UHFFFAOYSA-N 378.841 2.648 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(C)s1)n2CCC 5267475 KIYOZVXVESPQEK-UHFFFAOYSA-N 394.526 2.549 0 40 GFAB Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nc3ccccc3c2=O)c1 4539023 ZMWMZTUAEJRDHO-UHFFFAOYSA-N 395.484 2.645 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2F)c1 25128934 MPICYRPIJVZGKW-UHFFFAOYSA-N 384.860 2.804 0 40 GFAB COc1ccc2nc(C)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)c2c1 95961246 DCTHIINHBFSBBD-UHFFFAOYSA-N 391.475 2.951 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(CN2CCCC2=O)c1 7491845 SXULPHRKKKIWFF-UHFFFAOYSA-N 391.471 2.866 0 40 GFAB CCCOc1c(Br)cc(C(=O)N[C@@H](C)C(=O)NCC)cc1OC 7644304 VAILEHWUQCPIGI-JTQLQIEISA-N 387.274 2.501 0 40 GFAB C[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 7830634 PLDXKGIPJOQIGO-CQSZACIVSA-N 397.500 2.751 0 40 GFAB COc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(OC)c1C 7985339 HZDRQDZOQNMBHL-UHFFFAOYSA-N 392.477 2.823 0 40 GFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)NCc1ccc(F)cc1 8327261 GMUPJITVUOSDQC-ZDUSSCGKSA-N 382.486 2.677 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)NC1CCCCC1 8395150 XFKRRDGJGDLMQR-UHFFFAOYSA-N 388.512 2.814 0 40 GFAB COc1ccc(NC(=O)c2ccc(NC(=O)NCCNC(=O)C(C)C)cc2)cc1 69489745 MIJQHUULDUTSFI-UHFFFAOYSA-N 398.463 2.841 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C 17306099 MKEWFLLQLKFZJB-OAHLLOKOSA-N 395.463 2.875 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c[nH]1 558596758 KTFTUHHFUKIOEA-UHFFFAOYSA-N 388.449 2.911 0 40 GFAB Cc1noc(C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 54679801 GHGIVOGFJYGMOR-UHFFFAOYSA-N 386.271 2.709 0 40 GFAB CCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2ccsc2c1=O 27819496 UVDYQBUYCCAMBF-UHFFFAOYSA-N 389.502 2.895 0 40 GFAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1 409160089 SOHSBLPHVLJRIV-UHFFFAOYSA-N 395.488 2.959 0 40 GFAB CC1=C[C@@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 30880375 AZYFBPHCLITMSJ-FHWLQOOXSA-N 389.540 2.932 0 40 GFAB biogenic,in-vitro CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408595384 WMHJSFQUVVDHGF-SZJBZFAYSA-N 397.225 2.604 0 40 GFAB CCc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2cc3oc(C)cc3n12 72346406 CUWYUSKSYISQIF-UHFFFAOYSA-N 382.395 2.569 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(CO)C(=O)O)cc1 218430308 UWFYGLGCIPEKSP-SOLBZPMBSA-N 380.849 2.651 0 40 GFAB CCN(C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 79413332 CDLIHLGBXHENHR-MOPGFXCFSA-N 375.513 2.867 0 40 GFAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218482551 SJKWFDKKFKNNHK-NUJGCVRESA-N 380.849 2.651 0 40 GFAB CCc1cccc(N2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)c1 40058234 FHYUNLJNPAKWRJ-SFHVURJKSA-N 396.487 2.978 0 40 GFAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1 40400357 YPRIGCYNZMNRPL-OAHLLOKOSA-N 389.415 2.886 0 40 GFAB COC(=O)[C@H](C)NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 49543192 RTPNYQBQJSFFJD-LBPRGKRZSA-N 385.416 2.993 0 40 GFAB biogenic COc1ccc(OC)c(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)c1 224637072 ASCYQKGSZZRFSW-UHFFFAOYSA-N 390.505 2.778 0 40 GFAB COCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)cc1 40372618 GYMRAQNDRWEKDI-UHFFFAOYSA-N 395.463 2.881 0 40 GFAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(C2(C(=O)N3CCOCC3)CC2)CC1 225927057 DHHNVLNCTDXEIN-UHFFFAOYSA-N 398.381 2.943 0 40 GFAB CN1CCN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)CC1 223930805 WFRCVYHBCKRRDS-UHFFFAOYSA-N 375.929 2.973 0 40 GFAB S=C(NC[C@H]1CCCO1)Nc1nc(N2CCCCC2)cc(N2CCCC2)n1 225906664 BNKDKVHBLZZHMH-OAHLLOKOSA-N 390.557 2.533 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cccc(F)c2)CC[C@@]1(C)O 514290045 RHNLDBSIIBEXBU-FDFHNCONSA-N 386.467 2.655 0 40 GFAB biogenic,in-vitro CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2[C@H]4CCCC[C@H]42)C3)C1 247940520 NEWOKEPTECYZQZ-WOGUSJMUSA-N 382.508 2.523 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(Cl)ccc2C)cc1OC 242746210 DFWHEBCRSXXJLE-UHFFFAOYSA-N 398.868 2.583 0 40 GFAB CCNc1nc(C)c(C(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCC[C@H]2[C@]4(C)C3)s1 257247758 JAIAKXSQISPGMO-QCUYGVNKSA-N 376.526 2.887 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 257255824 KJAKRYCNBWCTEO-INIZCTEOSA-N 379.439 2.883 0 40 GFAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)CCCn3cccn3)C2)cn1 257281667 OQJYGMVQCUGPCT-KRWDZBQOSA-N 394.479 2.816 0 40 GFAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(CC(N)=O)[C@H]1CCCCC(=O)N2 257256445 KLMXYOUPABIUHD-MPGHIAIKSA-N 383.414 2.755 0 40 GFAB CC(C)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 260892883 FFYWVWIDXGPIGN-HKUYNNGSSA-N 380.554 2.822 0 40 GFAB CCn1c(=O)n(CC(=O)N2CCCC[C@H]2Cn2nc(C)cc2C)c2ccccc21 599012293 AWTHGZBOBPZHOB-SFHVURJKSA-N 395.507 2.718 0 40 GFAB Cc1ccccc1-c1nc(C)c(CNC(=O)Cn2cnc(C)c(C)c2=O)s1 96024544 QMNGGXOMYFTSLT-UHFFFAOYSA-N 382.489 2.917 0 40 GFAB CN1c2ccccc2N(C2CCN(C(=O)c3ccccc3F)CC2)S1(=O)=O 390830984 OUONQTVNKNGDBB-UHFFFAOYSA-N 389.452 2.632 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H]1CO)C2 585104876 VCVTZHWHZILEPY-VQTJNVASSA-N 386.536 2.717 0 40 GFAB O=C([C@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 585095079 DDOJQSPOQFOGPD-IFMALSPDSA-N 389.455 2.814 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C(C)C)CC3)n2)cc1OC 12142684 NMYBWCDRERBBRU-UHFFFAOYSA-N 399.491 2.822 0 40 GFAB COc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 15197228 PVQQYRHQYLBTSU-GFCCVEGCSA-N 393.461 2.607 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529793 RJLMGMCXBGHCTN-GRXQJBFDSA-N 398.484 2.828 0 40 GFAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3ccccn3)C2)n[nH]1 19707712 WPWLBIRNAAACPP-QGZVFWFLSA-N 391.475 2.733 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 19715541 QPMOBWMWZHMTAO-OAHLLOKOSA-N 398.486 2.946 0 40 GFAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 19718309 XIGWRRGKPAZNSB-INIZCTEOSA-N 376.460 2.747 0 40 GFAB COc1ccc([C@H](NC(=O)c2cc(C)nc(N3CCOCC3)n2)C2CC2)cc1 19718719 VWGQVPSCBMDJER-LJQANCHMSA-N 382.464 2.511 0 40 GFAB CN1C(=O)C[C@H](C(=O)NCc2cnc(O)c3ccccc23)[C@H]1c1ccc(F)cc1 1652118340 JGYIWMNHLSVZJV-AZUAARDMSA-N 393.418 2.915 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)C[C@H](C)O1 3436463 CJVUYSRMQKBUCI-IUCAKERBSA-N 375.281 2.764 0 40 GFAB O=C(c1ccccc1)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 9749507 IPOUZFAMKLXVBP-UHFFFAOYSA-N 378.407 2.610 0 40 GFAB CCn1c(COc2ccccc2O)nnc1N1CCN(c2cccc(O)c2)CC1 1121851745 UTBXZSSAGPMXFH-UHFFFAOYSA-N 395.463 2.615 0 40 GFAB CN(C)c1ccccc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037977761 CRFCMBVONCWZKP-QHCPKHFHSA-N 393.487 2.791 0 40 GFAB CC(C)N(C)CC(=O)N1CCC2(CC[C@H]2NC(=O)CCc2ccccc2)CC1 1614935096 UKZRUBTXCOQWJD-HXUWFJFHSA-N 385.552 2.847 0 40 GFAB COc1ccc(-c2nnc(NC(=O)[C@H]3COc4ccccc4O3)o2)c(OC)c1 4276117 BZYJPECLKYTKPI-MRXNPFEDSA-N 383.360 2.532 0 40 GFAB COC(=O)[C@@](O)(CC1=NC(C)(C)Cc2cc(OC)c(OC)cc21)C(F)(F)F 4686038 XJHMCGFNHASTHP-KRWDZBQOSA-N 389.370 2.684 0 40 GFAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(Cl)c2)CC1 2055771477 BHKAEWNAMGTITH-UHFFFAOYSA-N 375.904 2.608 0 40 GFAB CCCCc1ccc2c(c1)s/c(=N\C(=O)c1ccn(C)n1)n2CC(=O)OC 101337927 JPXMNSWLQPPNPU-VXPUYCOJSA-N 386.477 2.693 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC1CCN(CC(F)(F)F)CC1 548371521 BNOLIOHDAHWXOY-UHFFFAOYSA-N 396.479 2.633 0 40 GFAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncnc3cc(F)ccc23)C1 585606129 PVQCYZMQDGFUMS-UHFFFAOYSA-N 388.406 2.524 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccc(Cl)cc2)o1 4330223 MSYPKTGCCQJMIF-UHFFFAOYSA-N 382.763 2.625 0 40 GFAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCO)c1 5562698 ATEUSEKHVBDGLM-QGZVFWFLSA-N 385.803 2.993 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19078998 ISWFOHMFCFPULT-YJBOKZPZSA-N 396.491 2.652 0 40 GFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19499438 UCKNEPMFCDSGBT-ZWKOTPCHSA-N 384.455 2.783 0 40 GFAB O=C(CCCc1cccs1)N1CCN(CC(=O)N2CCCCCC2)CC1 40009830 PYCOFYQPCYGPSK-UHFFFAOYSA-N 377.554 2.618 0 40 GFAB O=C1C[C@@H](c2ccccc2)N(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCN1 40146205 GMNHCVKACPZPDS-VIOKTNGOSA-N 386.455 2.975 0 40 GFAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 31294717 JINRFYKIHXMQCH-PXAZEXFGSA-N 394.805 2.821 0 40 GFAB COC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100909417 OAQUZBGICZJULB-NVXWUHKLSA-N 397.818 2.556 0 40 GFAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1 32904790 WLHPRAXYNWLGNT-UHFFFAOYSA-N 376.478 2.987 0 40 GFAB O=C(CCc1nnc(-c2ccccc2)o1)OCC(=O)N1CCc2sccc2C1 22097550 GFTQXNIDUZYIEO-UHFFFAOYSA-N 397.456 2.859 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 33376929 KTGVMOJFSAZAJO-UHFFFAOYSA-N 390.915 2.920 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 12374012 YMRRBDVBUQFQSG-UHFFFAOYSA-N 381.480 2.937 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)c1 61718278 KNFLGFRUVPKVAP-INIZCTEOSA-N 382.464 2.554 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1cccs1)N1CCOCC1 23745164 MBOZQKLROJRWNR-KRWDZBQOSA-N 384.505 2.747 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)cc1 4909493 WNLKBBDUDXBGOM-IAGOWNOFSA-N 387.524 2.679 0 40 GFAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 7022666 AAJTXLUIAVGQBX-UHFFFAOYSA-N 384.722 2.778 0 40 GFAB COc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2)cc1 8091794 QNUUXHCCSMDEMS-UHFFFAOYSA-N 399.516 2.636 0 40 GFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)NC(=O)c1cccs1 25101172 FQLNKBWQEKUKMI-HNNXBMFYSA-N 386.521 2.565 0 40 GFAB CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)nc1O 35377936 MHLZAMSKYKGPHA-UHFFFAOYSA-N 395.444 2.933 0 40 GFAB Cc1nn([C@@H](C)c2nn3c(-c4cnccn4)nnc3s2)cc1Br 44920865 VXSXOKOSGSHIRA-QMMMGPOBSA-N 391.258 2.520 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc2ccc(F)cc2s1 102716525 KJEJIJLKUPAYCK-RYUDHWBXSA-N 375.425 2.939 0 40 GFAB COc1cc(C(=O)OCC(=O)N[C@@H](C)CCCC(C)C)cc2c1OCCO2 27873472 VVJIHICLHPEBCK-AWEZNQCLSA-N 379.453 2.954 0 40 GFAB C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccc(F)cc1 22536423 ZZHVLEMYRFMGNK-ZDUSSCGKSA-N 382.432 2.604 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CC(c2ccc(Cl)s2)=NO1 58417553 ZPWTZYKEUSWUEN-QMTHXVAHSA-N 378.837 2.851 0 40 GFAB CC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)c1 28272706 NNOSPXBQBMAPMD-UHFFFAOYSA-N 391.309 2.842 0 40 GFAB C[C@H](CSc1ccc(F)cc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 84640630 QCWDSCNIIWFHCC-DNVCBOLYSA-N 398.569 2.878 0 40 GFAB O=C(COC(=O)c1c(F)cccc1F)NC(=O)c1ccc(OC(F)F)cc1 11126868 JKFRJBBHOUPQNJ-UHFFFAOYSA-N 385.269 2.680 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 12755234 VOHKSAYJUIUUSG-UHFFFAOYSA-N 386.395 2.722 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 3336359 NQNQORVSIGVHLR-UHFFFAOYSA-N 386.395 2.886 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC1(c2ccccc2)CCCC1 12101351 HDXKZDXZQRIKFF-UHFFFAOYSA-N 392.507 2.884 0 40 GFAB CCOc1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1OCC 47167306 ZYVXXOJJRHNNAT-OAQYLSRUSA-N 397.431 2.791 0 40 GFAB COc1cccc(CNS(=O)(=O)c2ccc(OC)c(Br)c2)c1 23993979 AUSAWNSKPIONJR-UHFFFAOYSA-N 386.267 2.945 0 40 GFAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NCc2ccco2)c1 3520108 YTHUDDFDJWLRKU-UHFFFAOYSA-N 384.388 2.937 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCS(=O)(=O)O)CC2 9154049 CBJLOWPVVJHMPV-FQEVSTJZSA-N 391.489 2.929 0 40 GFAB COc1ccc(-n2nc3ccc(NC(=S)NC(C)=O)cc3n2)cc1Cl 408628895 XRWPTMVLZMTEHW-UHFFFAOYSA-N 375.841 2.915 0 40 GFAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3nnc4n3CCC4)c12 65009943 SRYNGENHQWVDMY-UHFFFAOYSA-N 388.431 2.708 0 40 GFAB Cc1ccc(N2C(=O)NC(=O)/C(=C3/C(=O)Nc4ccccc43)C2=O)cc1Cl 408990055 WCIVFLQFAGYZKX-PFONDFGASA-N 381.775 2.637 0 40 GFAB COC(=O)Cn1c(SCC(=O)c2ccccc2F)nc2ccccc2c1=O 5354293 LSZZQJFLEHODDV-UHFFFAOYSA-N 386.404 2.684 0 40 GFAB CC(C)CCNC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 5483146 DYCWIMBBSPJSRX-UHFFFAOYSA-N 388.468 2.758 0 40 GFAB COc1cc(C(=O)NN2CCOCC2)ccc1OCc1ccccc1Cl 14798421 NUYMOOYKDAMFHD-UHFFFAOYSA-N 376.840 2.905 0 40 GFAB Cc1ccc([C@]23CCC(=O)N2[C@@H](C(=O)NCCc2ccccn2)CS3)cc1 5689662 KEQUHFIBUKIHCG-WIYYLYMNSA-N 381.501 2.640 0 40 GFAB O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 67386217 IAMMHRUUABHWTQ-QAPCUYQASA-N 384.423 2.633 0 40 GFAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCN(c2ccccc2F)CC1 7371802 UZZDQRJDULTSRN-UHFFFAOYSA-N 389.814 2.736 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207247 ZRKBNNLXYJJTQC-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CC(=O)N1CCN(C(=O)CSc2nc3ccccc3n2-c2ccccc2)CC1 7706526 KGHWJQWFGOXJOU-UHFFFAOYSA-N 394.500 2.808 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1cccc(I)c1)C31CC1 16156191 GVCLEJYIORRMRZ-KPWCQOOUSA-N 391.208 2.993 0 40 GFAB Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)NCc1ccccn1 8289868 DGBSEYFNDZVGBV-UHFFFAOYSA-N 387.505 2.931 0 40 GFAB C[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-n2cncn2)cc1 18160034 WTKCHDJINOFEHT-HNNXBMFYSA-N 383.496 2.729 0 40 GFAB O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H]1CCSc2ccccc21 95461274 DXKKIEUKDHNYOX-HNNXBMFYSA-N 379.445 2.559 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)cc1 8979619 RLOQBOOAIJHJAN-INIZCTEOSA-N 388.445 2.516 0 40 GFAB O=C(CNC(=O)c1[nH]nc(C2CC2)c1Br)OCc1ccccc1 96999491 KTNRBCPSXJMUHK-UHFFFAOYSA-N 378.226 2.523 0 40 GFAB Cn1cc(Br)c(=O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 95468583 HQARQTQBQCTONE-UHFFFAOYSA-N 377.647 2.602 0 40 GFAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1S[C@H]1CCCc2ccccc21 89741359 JEUCMQGSCOUUDA-CJNGLKHVSA-N 377.535 2.962 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 28198767 VXWJFLGGXUCKNK-GJZGRUSLSA-N 378.469 2.630 0 40 GFAB COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)c2cccc(Cl)c2)c1 11813456 ZPQFZEQSDFVDMH-YOEHRIQHSA-N 386.835 2.987 0 40 GFAB COc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 408625497 VJOXKISGXHRABH-INIZCTEOSA-N 390.505 2.599 0 40 GFAB CNC(=O)c1ccc(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1 502957056 DWDUVMHKDINPPB-UHFFFAOYSA-N 394.519 2.852 0 40 GFAB Cn1cccc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c1=O 35597666 BXCXIHHVKDHYMW-UHFFFAOYSA-N 382.395 2.594 0 40 GFAB CS(=O)(=O)N1CCC(Nc2ncnc3sc4c(c23)CCCCC4)CC1 26141115 WZZIFJYKANOMFD-UHFFFAOYSA-N 380.539 2.796 0 40 GFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 35375544 YYRKTOXXDWIDNM-HAUMXSRVSA-N 389.883 2.515 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409388305 CUHXTOUVPUZBFC-UHFFFAOYSA-N 390.505 2.769 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518950 AXHYYCHPZNYZRE-UHFFFAOYSA-N 385.399 2.638 0 40 GFAB CCn1cc(C(=O)NCc2cc(-c3ccco3)on2)c(=O)c2ccc(C)nc21 38754402 FMBKZLALWUDZJK-UHFFFAOYSA-N 378.388 2.903 0 40 GFAB Cn1c(SCCOc2ccc(Br)cc2)nnc1N1CCOCC1 32922665 VVFPIGUKNMBFGC-UHFFFAOYSA-N 399.314 2.585 0 40 GFAB O=C(Nc1nc(-c2ccco2)cs1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70815312 SERUVYWPFSPIRI-UHFFFAOYSA-N 397.412 2.843 0 40 GFAB CCOC(=O)C[C@H](c1cccc(C(F)(F)F)c1)c1oc(CO)cc(=O)c1O 71282508 WZIMAPUWWLEFGR-CYBMUJFWSA-N 386.322 2.942 0 40 GFAB COc1cc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C)CC3)cc(OC)c1OC 71979852 DAIRJPLXQDCRHG-HHGQXBFMSA-N 393.436 2.544 0 40 GFAB COc1ccccc1Cc1cccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72349318 BQQCLNMMADRHOR-QGZVFWFLSA-N 389.521 2.667 0 40 GFAB C[C@H]1OCC[C@]12CN(C(=O)Nc1ccc3c(c1)CN(CC(F)(F)F)C3)CCO2 562624554 IRNAZCLOJUSCRX-ACJLOTCBSA-N 399.413 2.976 0 40 GFAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217481023 AZLAMWKYNJQVSI-UONOGXRCSA-N 392.477 2.871 0 40 GFAB CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224798493 AQZVMGFPFVRFHE-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 223634726 QWXACNXDVCXQMC-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB CCOc1cc(CNS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)ccc1OC 223859492 OUEPIDIQXJVPGL-UHFFFAOYSA-N 393.461 2.667 0 40 GFAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)Nc2ccccc2)CC1 96262223 IHBZMGYPHCHUPK-RBUKOAKNSA-N 384.524 2.729 0 40 GFAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O 96036498 JHJYTCUUOZIUIY-NRFANRHFSA-N 389.565 2.739 0 40 GFAB COc1ccnc(N2CCN(C(=O)[C@@H](C)Cc3cncc4ccccc34)CC2)n1 585082853 YQQDAXIPTMFZKR-INIZCTEOSA-N 391.475 2.561 0 40 GFAB CS(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)ccc1O 585134081 DHZWPIDWBCJEKE-UHFFFAOYSA-N 395.458 2.687 0 40 GFAB COc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)cn1 257221649 DPZWESJCCVHLPH-FIKGOQFSSA-N 396.491 2.899 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCSCC1)[C@@]1(C2)NC(=O)c2ccccc2N1 253595976 LPURDHRZANAVDU-PQOQACGUSA-N 385.533 2.940 0 40 GFAB O=C(O)COc1ccc(CN2CCC[C@H](c3cncc(-c4ncc[nH]4)n3)C2)cc1 257272641 NDGMYQYCMLFUDR-INIZCTEOSA-N 393.447 2.710 0 40 GFAB O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N1CCC[C@@H](c2nc3ccccc3o2)C1 654637507 KYQOQWPUYUDBPJ-CJNGLKHVSA-N 396.451 2.887 0 40 GFAB Cc1c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)nnn1Cc1ccccc1 67643165 VNUOAPPTHBYHTK-UHFFFAOYSA-N 376.464 2.878 0 40 GFAB Cc1cc(S(=O)(=O)N[C@](C)(C(=O)O)[C@H]2C[C@H]3CC[C@H]2C3)cc(C(=O)O)c1C 1615586595 POTFYWAGIVRASV-DYIBVVGTSA-N 395.477 2.559 0 40 GFAB Cc1nccc(CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)n1 72327177 JEOIYPCFXHJVMF-UHFFFAOYSA-N 382.899 2.918 0 40 GFAB CC(C)c1nnc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)s1 58417492 LWZJOUQFIPCENA-QWHCGFSZSA-N 394.497 2.582 0 40 GFAB N[C]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1 1560403770 UTZLMPFLKFDTOJ-UHFFFAOYSA-N 377.266 2.765 0 40 GFAB COC(=O)CCCC[C@H]1SC[C@H](NC(=O)c2ccccc2)[C@H]1OC(C)=O 5005301 PVEAODUKPHUVRQ-LZLYRXPVSA-N 379.478 2.566 0 40 GFAB COc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1OCC(N)=O 11750803 SFRHAZILWWSMJF-UHFFFAOYSA-N 388.851 2.674 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406832 AEFZEUOARHDNFA-JTQLQIEISA-N 378.408 2.847 0 40 GFAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)O)C(C)C)cc1 12436900 FOTUOPRNSYULOO-BIRYMOPTSA-N 396.443 2.692 0 40 GFAB CCn1cc(CN2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c(C)n1 19524581 VFINFNHCEFFFBZ-UHFFFAOYSA-N 383.540 2.893 0 40 GFAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(CN(C)C)n(C)n2)cc1F 19709174 XLKJQRDZAVCHHN-LJQANCHMSA-N 388.487 2.926 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19496186 SWTORYLTRKSDLV-HKUYNNGSSA-N 399.535 2.681 0 40 GFAB COc1cccc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c1OC 1888875700 YBDVNTJXJDDZFX-IYBDPMFKSA-N 394.475 2.580 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)ncc1F 1888890958 WAWMQBVLBCFIEL-GASCZTMLSA-N 379.439 2.624 0 40 GFAB CN(C)c1cc(N2CCN(Cc3cccc(Br)c3)CC2)ncn1 1889131813 NOCJQENOKMSZLP-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB O=C([C@H]1CCCO1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891215800 WLVMCMQHTXHUTF-HXUWFJFHSA-N 389.459 2.972 0 40 GFAB CSc1ncccc1C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 24705141 RDYREKKYNDKRHE-GFCCVEGCSA-N 382.449 2.847 0 40 GFAB Cc1ccc(C)c(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 5251825 RZESBLPVZHKRRF-UHFFFAOYSA-N 385.427 2.949 0 40 GFAB COc1ccc(-c2cnc([S@](=O)CC(=O)NCc3ccccc3)n2C)cc1 9828763 PZECVFWRBRAJPD-MHZLTWQESA-N 383.473 2.520 0 40 GFAB Cn1nc(-c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)ccc1=O 10324818 AULHVCDRROWFPE-UHFFFAOYSA-N 375.837 2.902 0 40 GFAB COc1cccc(CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)c1 11613647 BVOZZLNZMPZBAZ-OAHLLOKOSA-N 399.516 2.527 0 40 GFAB COc1cccc(CN2CCc3ccc(=O)n(CC4CCOCC4)c3CC2)c1 2055773088 UPKYWGVGDYWXCN-UHFFFAOYSA-N 382.504 2.884 0 40 GFAB Cc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)NC3CCCC3)c(=O)c21 22768116 WUHBVASUVZBKET-UHFFFAOYSA-N 391.475 2.827 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1(Sc2ccccc2)CCOCC1 211071989 QWWUVLXMXTXYCO-UHFFFAOYSA-N 395.550 2.657 0 40 GFAB Cc1ccc(-c2noc(Cn3nc4ccc(-c5ccccc5)nn4c3=O)n2)cc1 49399450 NAIHDIDTYRLZAB-UHFFFAOYSA-N 384.399 2.965 0 40 GFAB C/C(=C\c1ccccc1)C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575616094 WGNJQECKTLDJPK-OUKQBFOZSA-N 394.397 2.868 0 40 GFAB O=C(Cn1cnc2ccccc21)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 585304737 GKOSHIWXOPXMJD-AWEZNQCLSA-N 389.381 2.845 0 40 GFAB O=C(CNC(=O)OCc1ccccc1)NCc1nccnc1-c1ccsc1 575618948 KBEQHXZATCZJEH-UHFFFAOYSA-N 382.445 2.748 0 40 GFAB O=C(NC1=NN(c2ccccc2)CC1)NS(=O)(=O)c1ccccc1Cl 18173620 OERPECLHYVFOOW-UHFFFAOYSA-N 378.841 2.552 0 40 GFAB C[C@H]1CN(C(=O)Nc2ccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H](C)O1 105989311 CPEBZGBZVCLRLN-RUPPMWDTSA-N 390.484 2.969 0 40 GFAB COc1ccc(-n2ncc(C(=O)Nc3cc(C)ccc3O)c2C(F)(F)F)nn1 50177947 RAFQRMRFOVKPJZ-UHFFFAOYSA-N 393.325 2.956 0 40 GFAB COC(=O)C[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 40158689 PYCHWXADNCKWDD-INIZCTEOSA-N 375.396 2.806 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)c2cc3ccccc3o2)CC1 40105050 KBVBTHZSLGTINX-CYBMUJFWSA-N 380.466 2.603 0 40 GFAB CC[C@@H](C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1)c1ccccc1 30648665 POSHLJUXYRUKOJ-HXUWFJFHSA-N 390.487 2.533 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(F)c4)ncn3n2)c(C)c1 51316983 QTHDQQPIHKCETJ-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 32440186 RXSIGUWIKDXGCW-NSHDSACASA-N 395.868 2.604 0 40 GFAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 32800666 KMVVQHFOZABTSO-UHFFFAOYSA-N 398.365 2.669 0 40 GFAB CCCCn1c(=O)n(C[C@H](O)c2ccccc2)c(=O)c2c1ncn2CCC(C)C 32882653 XZJAYMCYXRZLQJ-SFHVURJKSA-N 398.507 2.940 0 40 GFAB C[C@@H]1NC(C(=O)N[C@H](c2ccccc2)c2ccccn2)=NN(c2ccccc2)C1=O 32966577 IIZFEXFIKFZMPN-OXJNMPFZSA-N 399.454 2.626 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3n[nH]c(C)n3)c2)c1 103254282 VXBBXKQCDLIMCZ-UHFFFAOYSA-N 385.449 2.783 0 40 GFAB CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3)C[C@]2(O)C(F)F)n1 33435767 LHCCXSIWLUXTAE-KRWDZBQOSA-N 397.403 2.897 0 40 GFAB O=[S@]1c2ccc(Cl)cc2C[C@H](N2CCN(CCO)CC2)c2ccccc21 22861407 HXFVEGJUJYYZBI-HFJWLAOPSA-N 390.936 2.714 0 40 GFAB Cc1ccc(OC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C 826763 LINUQQVUOHOWMX-UHFFFAOYSA-N 389.473 2.852 0 40 GFAB CCC1=C(C(=O)OC)[C@@H](c2ccc(OC(F)F)c(OC)c2)n2ncnc2N1 1460569 ZLBGAXBUUUWUGF-CQSZACIVSA-N 380.351 2.740 0 40 GFAB COc1ccc(OC)c(NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 2091462 CMIZLCIYFQYSGJ-KGLIPLIRSA-N 385.489 2.682 0 40 GFAB biogenic Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n1N 2323146 AGUQJYCGLICHPR-UHFFFAOYSA-N 382.493 2.764 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1F 3312352 SLVAIUVYNHLJHC-UHFFFAOYSA-N 390.371 2.808 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 3411368 HPSKYRQCSYKVEA-UHFFFAOYSA-N 395.868 2.558 0 40 GFAB COC(=O)c1cc(NC(=O)CSc2nc(C)cs2)cc(C(=O)OC)c1 3413699 CZDPRYNAPIDZKS-UHFFFAOYSA-N 380.447 2.756 0 40 GFAB CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3515046 BYWWLEGZFPAJNO-UHFFFAOYSA-N 379.445 2.753 0 40 GFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCCCCC1 3572844 GIPUBHASZZLFFO-UHFFFAOYSA-N 391.471 2.885 0 40 GFAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCC(C)C)cc12 4132868 KNRRAYNYQASWHN-UHFFFAOYSA-N 375.538 2.860 0 40 GFAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c1O 4383846 FHURMWHKCSKLEK-PTNGSMBKSA-N 390.461 2.840 0 40 GFAB CC(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 4479710 DWJYRYKMKIEEOX-MRXNPFEDSA-N 395.415 2.587 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885689 WMTBKKBQNKWDRP-WYADAEROSA-N 396.418 2.516 0 40 GFAB FC(F)(F)c1nc(N2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1 4966738 PZNXESRAOOIVSM-UHFFFAOYSA-N 398.776 2.778 0 40 GFAB Cc1cc(C)cc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2N)c1 5043104 IOTYZGOGKOHOCR-UHFFFAOYSA-N 392.463 2.985 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 5201139 NNVQENRFJCNKDC-CYBMUJFWSA-N 376.821 2.678 0 40 GFAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NC(=O)NC1CCCCC1 6087275 MLGUMLPLKSEGLH-UHFFFAOYSA-N 397.262 2.862 0 40 GFAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c1 6680837 IZVZGXMOQKYKJT-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)c1 6881910 ZAOOLVPGQXDOLJ-ZDUSSCGKSA-N 381.384 2.669 0 40 GFAB Cc1oc2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n2c1C 6908671 DIRONQAHUWHIPD-UHFFFAOYSA-N 393.230 2.913 0 40 GFAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N1N=CC[C@]1(O)C(F)(F)F 6925608 PGWLSSJMYDTFDB-LBPRGKRZSA-N 384.280 2.638 0 40 GFAB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(N)=O 6960649 HLNQVHQFTLYSEA-MHWRWJLKSA-N 379.416 2.804 0 40 GFAB C[C@@H](OC(=O)CCc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 6975433 DZAMNVAXQUOMPM-GFCCVEGCSA-N 381.475 2.867 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1c(F)cccc1F)OCO2 7180942 XGXFOENPHKJBMC-UHFFFAOYSA-N 377.299 2.692 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7232447 FEBROLXEZINRKI-DOTOQJQBSA-N 396.443 2.787 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2)n1 7982696 GGXLBRVBYHHRDP-UHFFFAOYSA-N 398.463 2.804 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@H](C)c1cccs1 8312660 RFLRKIXUFQECRF-ZIAGYGMSSA-N 395.550 2.985 0 40 GFAB COc1cc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1OC 8361558 RKGUQFCAXNDYMZ-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC(Cc2ccccc2)CC1 8406006 XKUOVVZYZHLHIK-UHFFFAOYSA-N 383.492 2.722 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 8410802 HHIHPOYXQQGODX-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2(C(=O)O)CCCCC2)c1 8762450 FZROKTAMFAIMHN-UHFFFAOYSA-N 396.509 2.543 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810741 LFSCRAUFUKUVKL-UHFFFAOYSA-N 398.431 2.922 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 9237895 OYLYIIDKNPKCCH-DLBZAZTESA-N 381.461 2.993 0 40 GFAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1)S(C)(=O)=O 10008548 VLIGVNMHRVGIDK-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10361319 BNVBHTZDYYWFJP-CQSZACIVSA-N 394.468 2.557 0 40 GFAB Cc1cc(F)ccc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10833453 VSZOFCZHFVROBS-QGZVFWFLSA-N 376.453 2.766 0 40 GFAB COc1ccc(CCNC(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)cc1 11613559 LZMULYOONVIESF-OAHLLOKOSA-N 387.505 2.771 0 40 GFAB CCN(Cc1ccco1)C(=O)Cn1nc(C)n2c(cc3sc(C)cc32)c1=O 12115368 SJJWCFJSABMDNK-UHFFFAOYSA-N 384.461 2.969 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)CCc3cccnc3)CC2)C1 12133527 HGCRQECTLVKDQL-UHFFFAOYSA-N 393.487 2.817 0 40 GFAB CCOc1ccc(NC(=O)Cn2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1 12146808 SEFWGKLUBVXRFM-UHFFFAOYSA-N 382.420 2.740 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3c(C)nn(C)c3C)ccc2=O)cc1 12275851 GKGMIXLNPKYKQF-OAHLLOKOSA-N 395.463 2.859 0 40 GFAB CC(=O)c1cnc2cc(C(=O)N3CCC(O)(c4ccccc4C)CC3)nn2c1C 12325340 DIMLXAHTAFVXIB-UHFFFAOYSA-N 392.459 2.673 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)C1=O 12556559 KPLIKEDTQBAPJO-KBPBESRZSA-N 378.432 2.944 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 12677625 SPYRBNDUKRCOJB-MRXNPFEDSA-N 380.853 2.533 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)NCc2cc(OC)ccc2OC)CC1=O 12896380 AYAQFOLBLJNBJU-QGZVFWFLSA-N 382.460 2.936 0 40 GFAB O=C(CCc1nc(-c2ccccc2)no1)NCC1(N2CCOCC2)CCCCC1 12910839 SXLMGEOSFIMGKV-UHFFFAOYSA-N 398.507 2.821 0 40 GFAB CC(C)c1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 12912077 KDOUTCJHGJMGKF-UHFFFAOYSA-N 379.504 2.884 0 40 GFAB Cc1cc(N2C[C@@H](C(=O)Nc3nncs3)CC2=O)ccc1Br 12973265 RATWYFQAEGUCDM-VIFPVBQESA-N 381.255 2.601 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nc(N)c2c(C)c(C)oc2n1 16755260 YCRUPYISRFGYRI-UHFFFAOYSA-N 386.433 2.939 0 40 GFAB Cc1cc(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 16774885 CNLOFRWUPLBYEC-UONOGXRCSA-N 378.519 2.669 0 40 GFAB CCn1nc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2c1=O 18891415 JYXFCKBIOGFMSJ-ZDUSSCGKSA-N 379.416 2.679 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)ncc2C1 19018217 VAYPEYBUWVNNIU-HXUWFJFHSA-N 396.466 2.817 0 40 GFAB O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 19339102 LFFHSGLBODOBDS-SFHVURJKSA-N 377.448 2.774 0 40 GFAB O=C(c1ccnc(N2CCCCC2)c1)N1CCN(C(=O)c2ccccc2F)CC1 19347602 BJOHTJDSRHUMQU-UHFFFAOYSA-N 396.466 2.809 0 40 GFAB O=C(NCC1(c2ccccc2F)CCCC1)c1cnn2cc(CCO)cnc12 19347954 XRHGPERSRYEWCC-UHFFFAOYSA-N 382.439 2.645 0 40 GFAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)c1ccccc1)CC2 19711601 LCPJFODJGWISHB-LJQANCHMSA-N 393.491 2.790 0 40 GFAB C[C@@H](NC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)c1ccccn1 19751562 DVEQUQWCMDNEEJ-CQSZACIVSA-N 394.406 2.512 0 40 GFAB C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 20452377 VDTRFCXHAGUSTI-SJKOYZFVSA-N 394.880 2.744 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 21625824 MJBHMCFFOWSNIK-ZUOKHONESA-N 389.521 2.770 0 40 GFAB COCc1cccc(NC(=O)c2nc(-n3cnnc3)ccc2Br)c1 21721278 SILYKFAWMRIXSG-UHFFFAOYSA-N 388.225 2.824 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccn1 22687995 YDNZPIGNNFSAJJ-HXUWFJFHSA-N 397.500 2.854 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(CCOc3ccccc3)CC2)cc1 22816605 SAEYEYWZWUFNHP-SFHVURJKSA-N 395.503 2.913 0 40 GFAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1 23074685 CCYUCGGBFKHNHR-UHFFFAOYSA-N 381.417 2.945 0 40 GFAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cn2ccccc2=O)o1 24207586 YADRMPOSXKSUOZ-UHFFFAOYSA-N 377.356 2.897 0 40 GFAB Nc1c(Cl)cc(NC(=O)Cn2nc(O)c3ccccc3c2=O)cc1Cl 28818673 GIUPOJHEFUNQGS-UHFFFAOYSA-N 379.203 2.630 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)C1 29202434 QOCWSFKVYFXNPL-GFCCVEGCSA-N 382.482 2.708 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1C 32472133 OORWMAPGIYSTAO-UHFFFAOYSA-N 382.526 2.709 0 40 GFAB COc1cc(C(=O)NCCc2nc(-c3ccccc3)no2)cc(OC)c1OC 32623910 KLYFNYJZWJBQGY-UHFFFAOYSA-N 383.404 2.735 0 40 GFAB CNC(=O)NC(=O)CCSc1nccn1-c1ccc(Br)cc1 32754547 HFHQRRSHKQQWJS-UHFFFAOYSA-N 383.271 2.573 0 40 GFAB C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1ccc(OC(F)(F)F)cc1 32817060 ZIIHMJGXEPWXHF-NSHDSACASA-N 382.338 2.940 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(SC)sc2c1=O 33020841 JDMIZLSXIJDJHH-UHFFFAOYSA-N 396.881 2.876 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3ccc(F)cc3F)ncn2)n1 35597351 NJYGORIBFRZSHL-UHFFFAOYSA-N 387.394 2.791 0 40 GFAB COc1ccc(-c2cc(C(=O)N(C)C3CCN(C)CC3)c3cnn(C)c3n2)cc1 36616503 PGIMCOPXEDCCTQ-UHFFFAOYSA-N 393.491 2.810 0 40 GFAB O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1ccc2[nH]nnc2c1 48374526 VLUOBBRMXGGBKA-UHFFFAOYSA-N 389.415 2.741 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)N(Cc1ccccc1)C(C)C)C[C@H]2O 53144886 IALXXVQQLSORHL-LJQANCHMSA-N 398.503 2.990 0 40 GFAB O=C(NC[C@H]1COc2ccccc2O1)NC1CCN(c2ccc(F)cc2)CC1 53748951 RIFGYIBDZKMFSG-SFHVURJKSA-N 385.439 2.934 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCCN(c2ncccn2)C1 54017411 NJVUVECPIHHEPP-LJQANCHMSA-N 378.476 2.713 0 40 GFAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccnc(-n3ccnc3)c2)c1 54628997 LTAYDHWXYBEGBW-KSSFIOAISA-N 375.432 2.792 0 40 GFAB Cc1c(NC(=O)c2cc3c(C)nn(C)c3s2)cccc1C(=O)N1CCOCC1 56181133 PSPGMSVQBPOULR-UHFFFAOYSA-N 398.488 2.976 0 40 GFAB COC(=O)c1c(CC(=O)N2CCc3[nH]c4ccccc4c3C2)[nH]c(C(C)=O)c1C 65588929 QTQCSBUWBOJSCF-UHFFFAOYSA-N 393.443 2.921 0 40 GFAB COc1ccc(CNC(=O)c2cc(Cc3noc(-c4ccncc4)n3)on2)cc1 66089202 BFVYOSFCGMNFKF-UHFFFAOYSA-N 391.387 2.649 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)c2)n1 67919494 VHKLZMZRHKALBM-INIZCTEOSA-N 396.491 2.969 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCCCCC1 71280858 UCMGNZSGFFQLOP-KRWDZBQOSA-N 387.528 2.531 0 40 GFAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CCCn1cncn1)CC2 72397211 LNNTYBBHTOIHJG-UHFFFAOYSA-N 380.452 2.992 0 40 GFAB CC(C)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)C1 72399207 RLQMQYYSZBJAFA-NXHRZFHOSA-N 386.540 2.720 0 40 GFAB COC(=O)c1nc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)sc1C 79476137 MKIQSKVOGAHEIG-UHFFFAOYSA-N 390.461 2.934 0 40 GFAB COc1ccc(C(=O)NCC(C)C)cc1NC(=O)CCc1nc2ncccc2[nH]1 79478772 LLKZMJOSVGDXRC-UHFFFAOYSA-N 395.463 2.924 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc2c(c1)OCO2 79494600 KYTVEJBZKREBIU-KRWDZBQOSA-N 389.433 2.908 0 40 GFAB O=C(O)c1nnn(-c2ccc(Br)cc2)c1CSc1ncccn1 85398229 MKDNTANQUKGEDA-UHFFFAOYSA-N 392.238 2.810 0 40 GFAB O=C(NCCc1csc(-n2cccn2)n1)c1ccc(Cn2ccnc2)cc1 90703344 LBCYXXOBEHJPCF-UHFFFAOYSA-N 378.461 2.546 0 40 GFAB O=S(=O)(NCCc1csc(-n2cccn2)n1)c1ccc(F)c(Cl)c1 90703636 WXHMGTKCOUMIJG-UHFFFAOYSA-N 386.861 2.642 0 40 GFAB CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C[C@@H]1O 95993315 HRNBQTRDEHEKDM-AAEUAGOBSA-N 376.316 2.867 0 40 GFAB O=S(=O)(c1ccccc1)N1C[C@H](OCc2nc3ccccc3o2)[C@H](F)C1 96112010 FSVYMDSZOVQGDL-PBHICJAKSA-N 376.409 2.756 0 40 GFAB biogenic,in-vitro COC(=O)Cn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(F)ccc21 100876489 GEMXWUOORRGLAM-VZCXRCSSSA-N 387.436 2.822 0 40 GFAB CCc1c(C(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)cnn1-c1ccc(C)cc1 108089289 QYDGYDQWNNKRBT-ZWKOTPCHSA-N 384.524 2.660 0 40 GFAB COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871905 AXKFWOMXCNUWNU-UHFFFAOYSA-N 390.461 2.630 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(OCC)c2)ccc1OC 113946213 OTMJRLQLMFXHPK-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 113949984 FSZXAUVMSQAMMG-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)O)CN(C(=O)OCc2ccccc2)C1 116904476 HDSNVAURSXRRHB-LSDHHAIUSA-N 378.425 2.623 0 40 GFAB Cn1nnnc1SCC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206991270 JPFHPAJDMPLONZ-CYBMUJFWSA-N 383.930 2.662 0 40 GFAB CCOC(=O)c1csc([C@H](O)C[C@H](N[S@@](=O)C(C)(C)C)C(C)C)n1 207874207 PVGZSUZLFWZUTA-UDWROGOWSA-N 376.544 2.820 0 40 GFAB COCCCNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217582930 BSETULWAGHXVOJ-UHFFFAOYSA-N 384.498 2.834 0 40 GFAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 224190383 RGJFVFOUUKYFGC-UHFFFAOYSA-N 375.281 2.636 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(C2CCOCC2)CC1 225564412 DWXMOBIXYGSYOL-UHFFFAOYSA-N 386.945 2.818 0 40 GFAB Nc1c(Br)cc(S(=O)(=O)N2CCCCC2)cc1Br 226305471 QLVQMDIGYRRRTO-UHFFFAOYSA-N 398.120 2.968 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)ccc4OC)C[C@H]32)c(OC)n1 247907834 KMDUGRKGKQFJOG-QXATTWAWSA-N 399.491 2.540 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)NCCN4CCCCC4)[C@H]31)O2 248338218 RCBWNGNACAEJIX-UXYIHQQYSA-N 382.504 2.957 0 40 GFAB Cc1ncc(-c2cc(CC3CCN(CC4(O)CCOCC4)CC3)ccn2)n1C 257247878 JAYVBRUGTULSOB-UHFFFAOYSA-N 384.524 2.587 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257260652 LDTZOZDZWMRMHP-OAHLLOKOSA-N 375.856 2.761 0 40 GFAB O=C(O)c1cc(CN2CCC[C@@H](c3nccnc3-c3ncc[nH]3)C2)ccc1O 257307569 SZGRJAUJYYGLQD-CQSZACIVSA-N 379.420 2.650 0 40 GFAB Cn1nccc1C(=O)N1CCC(c2nnc3ccc(-c4ccccc4)nn23)CC1 306137688 RDDOJTJYNGNKRN-UHFFFAOYSA-N 387.447 2.545 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)C1CN(c2cc(-c3ccccc3)ncn2)C1 390827847 LBZQGODPBBZBBW-UHFFFAOYSA-N 388.427 2.990 0 40 GFAB CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)CC2 524770892 VHEZAOLJSZLLSJ-FDFHNCONSA-N 391.515 2.723 0 40 GFAB CN1C(=O)[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)nc2)Cc2ccccc21 585100188 DWMPMWYPIDDDTG-ZDUSSCGKSA-N 394.353 2.732 0 40 GFAB COc1cccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@H]32)c1 585107957 LXUYZONAOVRDRA-UYAOXDASSA-N 386.517 2.899 0 40 GFAB CC(=O)NCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1 585274029 YRYTUBIUUBIJST-GOTSBHOMSA-N 398.503 2.524 0 40 GFAB O=C(c1ccc2cc[nH]c2c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 585502437 SGMNXRJITSYJDV-UHFFFAOYSA-N 376.460 2.766 0 40 GFAB CNS(=O)(=O)c1ccc(NC(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 683162107 GQAJNXNKMQTAMY-SLEUVZQESA-N 389.481 2.865 0 40 GFAB Cc1cccc2c1CCN(S(=O)(=O)c1cnc(C3CC3)s1)[C@@H]2C(=O)O 1548449264 BFPCUWIVZRQGIW-HNNXBMFYSA-N 378.475 2.702 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 1615119445 GUDRDJLWRCVCIV-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB CCCn1cc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 1615127375 GBYJRUBMCRSDEH-OAQYLSRUSA-N 386.471 2.830 0 40 GFAB O=C(NCC1(N2CCSCC2)CCOCC1)c1cc(-c2ccccc2)on1 1888859897 JTPDXNVXFOCWFU-UHFFFAOYSA-N 387.505 2.669 0 40 GFAB CC(C)(C)c1ccc(OC[C@H]2CCN(c3cc(=O)n4ccccc4n3)C2)nn1 1888876026 YDBIDEQGDCEULK-HNNXBMFYSA-N 379.464 2.687 0 40 GFAB Cc1cnc(NC(=O)CN2CCC[C@](O)(COc3ccc(F)cc3)CC2)s1 2037912323 JPYDTOUZPBENBR-LJQANCHMSA-N 393.484 2.825 0 40 GFAB O=C(CN1CCC[C@](O)(COc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 2037915973 FGWULBLHCTVJEQ-JOCHJYFZSA-N 398.459 2.650 0 40 GFAB C[C@@H](O)CNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 819282 PZMYTSMOBROBFO-GOSISDBHSA-N 382.504 2.975 0 40 GFAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)c1 954693 PCIQKFRDUPPQMS-GOSISDBHSA-N 376.420 2.918 0 40 GFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 2720182 BUQHVFKKCFXOMD-LBPRGKRZSA-N 390.465 2.762 0 40 GFAB CCOc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 3517504 MQSVMWKJUQUDHH-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 3566895 IHXMLIVTNGLMLR-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB CC(C)C[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4086264 GFQDWFQULTXWLV-CPUCHLNUSA-N 376.478 2.651 0 40 GFAB biogenic COc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccccc4)n[nH]3)C2=O)cc1 4599615 PQPOMSHKEIPDBC-HNNXBMFYSA-N 380.429 2.905 0 40 GFAB CSCc1nnc2c3ccccc3c(-c3ccc(C)c(S(N)(=O)=O)c3)nn12 5266300 LGGWZMCKZORXKL-UHFFFAOYSA-N 399.501 2.763 0 40 GFAB COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1Cl 5279220 GYUFEQBZEPQSBP-UHFFFAOYSA-N 380.853 2.923 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 5329090 JAIOUCVNEPDZKL-UHFFFAOYSA-N 380.491 2.508 0 40 GFAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccc(F)cc1)CSC2 5438217 RSBIYSCVSZDGOG-UHFFFAOYSA-N 376.457 2.779 0 40 GFAB NC(=O)c1c(NC(=O)CSc2ncn(-c3ccccc3)n2)sc2c1CCC2 6344870 QHGPPFSANQXSEB-UHFFFAOYSA-N 399.501 2.647 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1C 6566334 ZLTSJQICVVBOIA-MRXNPFEDSA-N 381.432 2.570 0 40 GFAB Fc1cccc(-n2c(SC[C@H]3CCCCO3)nnc2N2CCOCC2)c1 7067993 OZSUXELFGBTHHQ-MRXNPFEDSA-N 378.473 2.904 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](NC(=O)c1cccs1)C(C)C 8985348 HACGNHVSDUAYKM-QGZVFWFLSA-N 387.505 2.874 0 40 GFAB CCOc1c(CNCCSc2nnnn2-c2ccccc2)cccc1OC 9249991 NDIMFROJZANCLB-UHFFFAOYSA-N 385.493 2.952 0 40 GFAB CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(CC)nn2c1N 9287639 KTCHKSQPESADJB-UHFFFAOYSA-N 390.241 2.875 0 40 GFAB Cc1cc(F)ccc1NCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 9388473 VUAYMJVFXIZBEZ-UHFFFAOYSA-N 379.457 2.743 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 10302489 WRDOVENWFQNBGU-LJQANCHMSA-N 378.538 2.529 0 40 GFAB CCCc1nnc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1 11190829 VBBMOZGRJQYDLV-UHFFFAOYSA-N 399.402 2.745 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)c1ccccc1 11720903 BXIJLMPCJHYJRW-YJBOKZPZSA-N 389.473 2.804 0 40 GFAB COc1ccc2c(C)c(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1 11867072 GOLJWDZKHYPOBG-QRQCRPRQSA-N 385.460 2.806 0 40 GFAB biogenic CCc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N(C)C)cc1 11999405 AXGBAJURVPDCQL-QGZVFWFLSA-N 376.478 2.559 0 40 GFAB O=C(NCc1ccncc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195423 KWKYIGRXKXBVLW-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB COc1ccc(C2(NCc3ccc(OCC(=O)N4CCOCC4)cc3)CC2)cc1 12238669 IDZODKFTFOSDHG-UHFFFAOYSA-N 396.487 2.712 0 40 GFAB CN(CC(=O)Nc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 12528601 AQTUHIUVEBXSAT-UHFFFAOYSA-N 391.468 2.685 0 40 GFAB Cc1cccc(OCC(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)c1 12651735 HVGSXPMXCIZVPR-UHFFFAOYSA-N 379.445 2.856 0 40 GFAB C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 12788964 VUODKPPLMLJOSA-CQSZACIVSA-N 383.423 2.560 0 40 GFAB CC[C@@H](C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)c1ccccc1 12852842 IEUKIBYSYHRILI-OAQYLSRUSA-N 379.504 2.641 0 40 GFAB O=C1CN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c2ccccc2N1 12861345 XTEAERNJYZFNEP-UHFFFAOYSA-N 396.424 2.852 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1C(=O)O 13311893 JPOZUVJHMLQGFO-UHFFFAOYSA-N 388.489 2.768 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 14313216 QPTYBOGJADMBHP-INIZCTEOSA-N 390.505 2.810 0 40 GFAB CC(=O)c1cccc(NC(=O)c2nc(-n3cnnc3)ccc2Br)c1 15867174 FQWDYNMHQLRUJS-UHFFFAOYSA-N 386.209 2.880 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccccc2Cl)c1 16101126 QCMXATHMGQRKMC-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C2[C@H]4CCCC[C@@H]24)C3)CC1 19016820 YHPQWKUBOZHWSY-UFRUDQCGSA-N 382.508 2.523 0 40 GFAB COc1ccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1 19020382 GDGHTHQXUWNEBU-QFIPXVFZSA-N 381.476 2.749 0 40 GFAB COc1ncc([C@]2(O)CC[C@@H]3CN(Cc4cc(C)ccc4OC)C[C@@H]32)c(OC)n1 19133224 KMDUGRKGKQFJOG-FXCLAUTBSA-N 399.491 2.540 0 40 GFAB O=C(CCc1ccccc1)N1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 19370802 PPXAFFKVIXZIPW-SFHVURJKSA-N 376.464 2.607 0 40 GFAB CCc1nccn1CC1(O)CCN(CC(=O)c2c[nH]c3cc(C)ccc23)CC1 19523620 BUSBVKSTJFLZOS-UHFFFAOYSA-N 380.492 2.945 0 40 GFAB CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCc3cc(Cl)ccc32)cc1 19662979 TYLRZHCOPDMIHV-UHFFFAOYSA-N 378.881 2.722 0 40 GFAB CCn1nccc1C(=O)N1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1 19705578 UVCCWXKZPGABNM-QGZVFWFLSA-N 381.480 2.554 0 40 GFAB COc1ccc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4C(C)C)cc1 19821195 FOWDUCAJDWYYFF-CYBMUJFWSA-N 379.416 2.587 0 40 GFAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1cccs1 22976144 DICCRJOVTZMZNK-VIFPVBQESA-N 378.928 2.961 0 40 GFAB Cc1ccc(C)c(OCCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 23079003 JAHNJLFHNXTUAF-UHFFFAOYSA-N 383.400 2.829 0 40 GFAB CCn1c(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)nc2ccccc21 23080958 UIPBOUUTBIRFLH-UHFFFAOYSA-N 375.432 2.542 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cccc3cccnc23)CC1 24207339 MOPRXJPLXCIBLO-UHFFFAOYSA-N 385.464 2.880 0 40 GFAB Cc1c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)oc2ccccc12 24776615 ZOBJOFLCBIWBRT-UHFFFAOYSA-N 388.431 2.679 0 40 GFAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CCO)CC1 25702085 QOQQHWCAWKWKPM-UHFFFAOYSA-N 390.487 2.598 0 40 GFAB COc1ccc(OC)c(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)c1 32646737 IKIFWXNXJRNVRS-UHFFFAOYSA-N 388.811 2.955 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 32716615 CJDDSRJQZKOROK-OAHLLOKOSA-N 375.808 2.625 0 40 GFAB COc1cc(NC(=O)CNC(=O)c2ccc(C)s2)ccc1N1CCCC1=O 32889811 MQJFHSCNYVUESE-UHFFFAOYSA-N 387.461 2.560 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)[C@@H]1C 33028590 WYFLJIQTBOSTTC-UTUOFQBUSA-N 378.947 2.963 0 40 GFAB O=c1ccn(-c2cccc(F)c2)nc1-c1nc(-c2ccc3c(c2)OCO3)no1 33300446 DSBCNGYFHAFEQK-UHFFFAOYSA-N 378.319 2.817 0 40 GFAB CC[C@H](CCNS(=O)(=O)c1cnn(C(F)F)c1C)n1cc(Cl)cn1 36614891 FLNFGEMJUHUCGH-LLVKDONJSA-N 381.836 2.756 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 44900900 CBAMTGNVSZLXPT-AWEZNQCLSA-N 394.468 2.868 0 40 GFAB CCCCCNC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 48302066 XVSBUZUKKYBWBM-UHFFFAOYSA-N 376.526 2.583 0 40 GFAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CCNC(=O)[C@H]2C[C@@H]2C)c1C 55493489 JYTAPBMFASAFNF-YJBOKZPZSA-N 382.508 2.918 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2[nH]ncc12 62581271 KVRINYJFSCGKCV-GFCCVEGCSA-N 378.388 2.592 0 40 GFAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4cccs4)c3)c2)n1 65250878 YLXYIDRIIGPQEF-UHFFFAOYSA-N 380.433 2.660 0 40 GFAB Cc1c(C(=O)N(C[C@@H]2CCOC2)C2CC2)nnn1-c1cccc2cccnc12 67269827 CWCYEMODEIDZBT-HNNXBMFYSA-N 377.448 2.765 0 40 GFAB CCN(CC(=O)NC(C)(C)C)c1cnn(Cc2ccccc2)c(=O)c1Cl 67948981 RRXGNZVXEOSXJP-UHFFFAOYSA-N 376.888 2.686 0 40 GFAB CC1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 72314845 CAAKDLNHXJDOKU-UHFFFAOYSA-N 378.538 2.882 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1cccs1)C1CC1 77099533 XNTRWMCVKIPQJJ-SFHVURJKSA-N 376.503 2.823 0 40 GFAB O=C(NCCCNc1cncc(OCc2ccccc2)n1)c1cccc(O)c1 79065785 NFCNSUOYCMMRRZ-UHFFFAOYSA-N 378.432 2.993 0 40 GFAB CCSc1nnc(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)s1 80344266 ZSIAKCVOABAACH-MRVPVSSYSA-N 376.529 2.899 0 40 GFAB Cc1cc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC3)c2)c(C)o1 84081642 FRQDSYCWORJNTM-GFCCVEGCSA-N 380.441 2.921 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](CO)C1)OCc1ccccc1 89840332 BXFKQKQFNQKQMT-SFTDATJTSA-N 396.487 2.755 0 40 GFAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cccc(OC(F)F)c2)o1 95480555 DQEABBXAUTXWLT-ZDUSSCGKSA-N 384.331 2.788 0 40 GFAB O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)NCC1CCSCC1 95959262 WTHNSVVWCGBFDK-KRWDZBQOSA-N 377.510 2.747 0 40 GFAB CC(C)CC(=O)N1CCC2(CC1)CCn1c(-c3ccc(C(N)=O)cc3)cnc12 96053554 BCCDTZNHWAGWDV-UHFFFAOYSA-N 380.492 2.959 0 40 GFAB COC(=O)C[C@H](c1cnn(C(C)C)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96118034 DGGRGFBCTXKHKK-CYBMUJFWSA-N 390.827 2.526 0 40 GFAB CC(C)N(C)Cc1ncn2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CCC2 96259273 HUXOVJWFLSPOGC-UHFFFAOYSA-N 398.479 2.596 0 40 GFAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102213054 GNMWHBAJTKJJEB-BURNTYAHSA-N 377.440 2.979 0 40 GFAB COc1ccccc1NC1=NN/C(=C2\C=NC(C(=O)N3CCCC3)=C2)CS1 104981176 MJBMXLVNUBJSPU-SSZFMOIBSA-N 383.477 2.559 0 40 GFAB Cc1cccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 113956355 VDCOJMBVHUEOHD-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 195419791 IOSZAQWIOULVGY-CQSZACIVSA-N 384.567 2.970 0 40 GFAB O=C(NCc1ccccn1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 199408004 GCANRJXTLHECPO-GOSISDBHSA-N 399.809 2.776 0 40 GFAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 223902701 NCQOGCYVJMLIRH-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224684097 KRQRXKHBKQCTDT-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N1C(=O)CCC1=O 225092129 SVYVABBURWLAOS-UHFFFAOYSA-N 394.836 2.803 0 40 GFAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)Nc2ccccc2)Oc2ccccc21 225479316 DDCKFBOWTKOYOD-WMZOPIPTSA-N 381.432 2.733 0 40 GFAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C)cn3)C2)cc1F 238861417 KTELLQCNDCIPNN-AWEZNQCLSA-N 380.441 2.770 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463654 DGOJOBKVXMEEOL-NUJGCVRESA-N 397.855 2.679 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4cccc(F)c4)CCCC2)[C@H]3C1=O 248169871 RISPHMWWMLWOKF-GKAYAJSDSA-N 398.478 2.902 0 40 GFAB CCN(CC)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 257231844 GIJKRHQIGYXMLE-QGZVFWFLSA-N 397.541 2.867 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408620971 KOMBRUVDAQKTRK-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCOC(=O)C1=C(C)N=C(SCC(=O)O)N[C@@H]1c1ccccc1OCC 408988350 HRMBKONLLYBXIT-MRXNPFEDSA-N 378.450 2.741 0 40 GFAB Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)N1CC(OC(=O)NC(C)C)C1 585083458 SRYFRARRJXIKEI-UHFFFAOYSA-N 376.844 2.998 0 40 GFAB C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096437 NKIPOHVTYKUCFU-CQSZACIVSA-N 391.475 2.650 0 40 GFAB CCOCCCC(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 585138388 MJGYDTPOWKMWMH-UHFFFAOYSA-N 387.402 2.785 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccsc2)cc1Cl 618255648 UXRMTUOZWUHTFH-HNNXBMFYSA-N 375.899 2.682 0 40 GFAB Cc1cc(OC2CN(C(=O)c3nc(-c4cccs4)cs3)C2)n2ncnc2n1 618255876 KHKROMLBXXDWMP-UHFFFAOYSA-N 398.473 2.521 0 40 GFAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@@H]3CC(=O)N(C)C3)cc12 619012800 RZYQZNCZELNMBA-HNNXBMFYSA-N 382.489 2.663 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CN)C2)n1 627001773 JPEPUTAVCQSPHE-HOTGVXAUSA-N 395.429 2.849 0 40 GFAB O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1onc2c1CCCC2 628737441 MXMSGIVQHRFQAM-OAHLLOKOSA-N 375.856 2.842 0 40 GFAB CCN1C[C@@H](CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)CC1=O 650287437 HVXURNQLFBLRAK-BTDLBPIBSA-N 384.263 2.629 0 40 GFAB O=C(O)COc1cccc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c1 668323909 GJTMZAFAKKOBHA-HXUWFJFHSA-N 381.428 2.974 0 40 GFAB COC(=O)[C@@H](CNC(=O)[C@@]1(c2ccccc2)CCCO1)Oc1ccc(F)cc1 1137961257 YYJLLYAXZRCTLK-NQIIRXRSSA-N 387.407 2.568 0 40 GFAB CCC(CC)(CC)C(=O)NC[C@@H]1COCCN1Cc1ccc2c(c1)OCCO2 1615611095 JTAXLZRNOKDWBR-GOSISDBHSA-N 390.524 2.991 0 40 GFAB O=C(N[C@@H]1CON=C1NCCc1c[nH]c2ccccc12)OCc1ccccc1 988686 KAIYSJQPZKTJIW-LJQANCHMSA-N 378.432 2.939 0 40 GFAB COc1cc(C2=N/C(=C/c3ccc4c(c3)OCCO4)C(=O)O2)cc(OC)c1OC 1801717 NVESQCNDYJSMMH-RIYZIHGNSA-N 397.383 2.828 0 40 GFAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2134563 RIVJPCNBZYSPSH-BUXKBTBVSA-N 387.432 2.666 0 40 GFAB biogenic C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC[C@@H]3CCCO3)c2C1 2663988 XLHFRGRHCGOPAD-CABCVRRESA-N 382.460 2.812 0 40 GFAB Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)cc1 2952232 CNZKQNWBAWOIGF-UHFFFAOYSA-N 399.450 2.977 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 3436912 QZDTVZFPWRXUNH-YCRREMRBSA-N 382.372 2.569 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1cccs1 4690002 NMXONPPHSCEMLU-CQSZACIVSA-N 387.314 2.632 0 40 GFAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 4862802 UHIKKLARGMKIGC-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885384 NAZXNBZGXAPWPN-VDNWNZSNSA-N 396.418 2.598 0 40 GFAB COc1cccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1OC 5075907 VTAIMYBZLOWZRT-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1 5189668 AYOUPOYERDTGNC-UHFFFAOYSA-N 375.381 2.678 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2csc3c2CCCC3)NC(=O)N[C@@H]1CC 5968529 UGYUKDRUDAMQIP-CYBMUJFWSA-N 392.477 2.692 0 40 GFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCC1CCCC1 6507546 HOVBOBKBROLYTE-UHFFFAOYSA-N 396.509 2.625 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 6553579 YZMGYHPRUNNTMR-QFBILLFUSA-N 390.549 2.786 0 40 GFAB CC[C@]1(C)NC(=O)N(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)C1=O 6589020 NKXJRKJDAXWJQQ-IBGZPJMESA-N 397.460 2.761 0 40 GFAB CCOc1ccccc1CNS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 6757785 GEHIPPLRNGBHJE-UHFFFAOYSA-N 396.852 2.662 0 40 GFAB COc1ccc(-c2noc(CN(Cc3ccccc3F)S(C)(=O)=O)n2)cc1 6757923 FXJQEZOHJKARHV-UHFFFAOYSA-N 391.424 2.846 0 40 GFAB Cc1ccccc1OCC(=O)N(Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 6810221 LTPMLGPCOVCBRB-INIZCTEOSA-N 393.530 2.960 0 40 GFAB C[C@@H]1CCc2nc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)sc2C1 6850132 ASYPCCVAYPQUMD-ODXCJYRJSA-N 398.488 2.674 0 40 GFAB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2c(=O)[nH]1 6976259 JCCQTKBXBFWCSC-QWHCGFSZSA-N 395.390 2.720 0 40 GFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2O1 7253138 YISXWYMLEQUJFL-INIZCTEOSA-N 394.258 2.946 0 40 GFAB O=C([C@@H]1CN(Cc2nc3ccccc3s2)c2ccccc2O1)N1CCOCC1 8026397 MTKRLGOSVRVHEV-SFHVURJKSA-N 395.484 2.923 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)CSCc2cccc(Cl)c2)cc1 8035346 RFLJSAUCOFSMFU-UHFFFAOYSA-N 398.937 2.580 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8072401 HPKLTTRHOHKWFG-HNNXBMFYSA-N 378.450 2.979 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 8244330 ABSDWWCFPPYKEF-SNVBAGLBSA-N 385.417 2.768 0 40 GFAB COc1cc(OC)cc(N2C(=O)CS[C@@]23C(=O)N2CCCc4cccc3c42)c1 8559986 KNXCZQPVXXZUSV-NRFANRHFSA-N 396.468 2.929 0 40 GFAB CC(C)n1ncc2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cc(C3CC3)nc21 8744973 MNUWJLLSFSHSOC-UHFFFAOYSA-N 381.480 2.584 0 40 GFAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccc(OC(F)F)cc2)no1 8775908 OUFZLWIRMJUWCZ-NSHDSACASA-N 399.419 2.961 0 40 GFAB O=C(CSc1nncn1CCc1cccs1)NC(=O)NC1CCCCC1 8855927 CVLCFMDMBSZAJA-UHFFFAOYSA-N 393.538 2.833 0 40 GFAB COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9039332 CFXRZCBONXLIAL-MRXNPFEDSA-N 383.448 2.556 0 40 GFAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(Cl)c1 10518248 WUGFCAJEAYIPCK-UHFFFAOYSA-N 386.882 2.582 0 40 GFAB CCOc1c(C)cc(S(=O)(=O)NC[C@H](c2cccn2C)N(C)C)cc1C 11897985 UVIDAAVVJMFAGW-GOSISDBHSA-N 379.526 2.622 0 40 GFAB COc1cc(CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc(OC)c1OC 12146252 DCZXZUREZXZWAA-KRWDZBQOSA-N 396.443 2.864 0 40 GFAB O=C(CN1Cc2ccccc2C1=O)NC1(c2ccc3c(c2)OCO3)CCCC1 12155640 PCJYXZDHZHWGRL-UHFFFAOYSA-N 378.428 2.957 0 40 GFAB Cc1cccc(-c2noc(CCC(=O)N3CCN(C4CCCCC4)C(=O)C3)n2)c1 12206009 UKTWBWPULVRBQT-UHFFFAOYSA-N 396.491 2.981 0 40 GFAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N4[C@@H](C)CCC[C@H]4C)nc3c12 12276437 VZVFEJCRFFEILC-TXEJJXNPSA-N 387.509 2.766 0 40 GFAB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)cnn1-c1ccc(C(F)(F)F)cn1 12550473 JHDJFCRWBVEFNB-UHFFFAOYSA-N 389.337 2.946 0 40 GFAB Cc1ccc2c(CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)coc2c1 12590462 YLVXXKBLCCLUBA-UHFFFAOYSA-N 397.519 2.831 0 40 GFAB COc1cccc2cc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)oc12 12617333 ABNDGTSITBHEHV-HEHGZKQESA-N 387.432 2.899 0 40 GFAB Cc1occc1-c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)n1C 12698552 YEPOAWBFJWVAKE-UHFFFAOYSA-N 392.506 2.926 0 40 GFAB C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl 12753206 QKGBXSRXTKZPGU-GFCCVEGCSA-N 391.880 2.646 0 40 GFAB COc1ccc(-n2c(SC[C@H]3CNC(=O)O3)nc3ccccc3c2=O)cc1 12769513 JAZAKIOJTXXVMY-CQSZACIVSA-N 383.429 2.595 0 40 GFAB COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 12971899 MZUKUCRUMBBDGI-UHFFFAOYSA-N 398.488 2.694 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc3n2CCCCC3)c1 12983855 OQRISDXRWRISKF-CYBMUJFWSA-N 390.509 2.991 0 40 GFAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc3c(cc2Cl)OCCO3)C1=O 12986196 HSTDDJMIVIAMKB-NSHDSACASA-N 388.807 2.864 0 40 GFAB COc1cccc(-n2cc(C(=O)c3cc(OC)ccc3O)cc(C(C)=O)c2=O)c1 14180721 TUJWLDVJNDOOHX-UHFFFAOYSA-N 393.395 2.994 0 40 GFAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)N[C@H](C)c1ccccc1 16981061 YCUXQFNFJXGZLW-OAHLLOKOSA-N 393.491 2.999 0 40 GFAB C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 19457399 SUGYLXFAQMMRFE-AWEZNQCLSA-N 390.871 2.813 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3cccs3)o2)cn1 19525052 KWCYUCJYFPDSIA-LBPRGKRZSA-N 379.467 2.540 0 40 GFAB COc1cccc(C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c1OC 19567376 BAZOVWRBVIELLN-QGZVFWFLSA-N 382.464 2.507 0 40 GFAB COc1ccccc1C(=O)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19568634 GEMAZXHLCWPFPQ-UHFFFAOYSA-N 390.443 2.860 0 40 GFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cccc(Cn2cncn2)c1 19661551 ZTOSFXMKTGLKQX-UHFFFAOYSA-N 397.822 2.917 0 40 GFAB CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(OC)ccc21 22235939 QDJBPPGWUNSJDA-UHFFFAOYSA-N 380.400 2.689 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cc1 22611921 ZECCOZZPJSCXOD-GJZGRUSLSA-N 387.480 2.709 0 40 GFAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 23637432 HKMRBICUHXUSPY-KBPBESRZSA-N 380.400 2.550 0 40 GFAB CSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30938145 HBZQETVWNREGHW-MRXNPFEDSA-N 392.502 2.883 0 40 GFAB O=C(N[C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O)OCc1ccccc1 31720030 RSDRIMXAOFFQMC-LJQANCHMSA-N 379.416 2.854 0 40 GFAB COc1ccc(-c2noc(CN3CCN(C(=O)Cc4cccs4)CC3)n2)cc1 32904590 QDDMKAPYVXAVSO-UHFFFAOYSA-N 398.488 2.694 0 40 GFAB CC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)Cc1ccc(F)cc1 35312724 CXLWKTRBSGBLFE-UHFFFAOYSA-N 377.441 2.590 0 40 GFAB O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccccc1Cl 36633984 GLYJPJKYSKULEA-SFHVURJKSA-N 387.842 2.933 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C)Oc2ccccc2)CC1 40089831 QDMJOLVLXRWDQS-LJQANCHMSA-N 381.520 2.908 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1 40091264 PLJHAIBVESNNKL-MRXNPFEDSA-N 382.489 2.815 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 40104133 SOFZTUNOIQVZDA-IBGZPJMESA-N 395.459 2.828 0 40 GFAB O=C(CCc1ccccc1Cl)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268460 WMFHBIWWEJVFIM-UHFFFAOYSA-N 381.837 2.549 0 40 GFAB Cc1nc2ccccc2n1CC(=O)NC[C@H](c1ccccc1)N1CCOCC1 47250447 WZXWEJODXCLDJF-OAQYLSRUSA-N 378.476 2.534 0 40 GFAB CC(=O)Nc1cc(NC(=O)CSCC(=O)Nc2cc(C)on2)ccc1C 48332954 VVMHBCMDPBOXKV-UHFFFAOYSA-N 376.438 2.560 0 40 GFAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1C 52518710 FZUWCWYLMFHQOH-HXUWFJFHSA-N 386.517 2.584 0 40 GFAB CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3c(C)cc(Br)cc32)N2CCC[C@H]12 55243870 BBMYCHCIBYQNEH-RVZJWNSFSA-N 393.281 2.952 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 56998178 OASMFPSSMUXDAN-SFTDATJTSA-N 398.528 2.824 0 40 GFAB CC(C)[C@@H](C(=O)Nc1cccc(N2CCOCC2)c1)N1C[C@@H](C)O[C@H](C)C1 58294017 GDITXNYTDJZPEC-HLIPFELVSA-N 375.513 2.596 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 64988550 LAIPMMMCKYTAOG-LJQANCHMSA-N 388.489 2.537 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1ccn(-c2ccccc2C)c(=O)c1=O 67320699 FDIDCUBWNULZSJ-UHFFFAOYSA-N 399.834 2.608 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 67479935 SMJRQOHFBZTHBO-KRWDZBQOSA-N 385.851 2.611 0 40 GFAB O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CC(OCC(F)F)C1 72311792 KOQJHOCHXDGSMT-UHFFFAOYSA-N 395.427 2.767 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2cnccn2)n1 72360262 OVIQKLAYVVGIOD-QGZVFWFLSA-N 375.436 2.999 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1cc(Cl)ccc1Cl 77099995 BMNQEHGTWAEGGT-INIZCTEOSA-N 388.272 2.942 0 40 GFAB COc1ccc(NC(=O)CCOc2ccc(C(N)=O)cc2)cc1OC(F)F 79013004 HPAOKTWQAGGHOE-UHFFFAOYSA-N 380.347 2.803 0 40 GFAB O=C([C@H]1CSCN1C(=O)c1ccc(OC2CCCC2)nc1)N1CCCC1 96005675 BDYAYNDSBHQELI-MRXNPFEDSA-N 375.494 2.541 0 40 GFAB O=C1N[C@@H](CC(=O)N2CCC(c3ccccc3)CC2)C(=O)Nc2ccccc21 96114124 ZPBXRDZWGUVPLH-IBGZPJMESA-N 377.444 2.533 0 40 GFAB biogenic O=C(CCc1c(F)cccc1Cl)N1CC(S(=O)(=O)Cc2ccco2)C1 96122080 LTKXMERRPFNUPF-UHFFFAOYSA-N 385.844 2.831 0 40 GFAB CCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 96145147 BJFZJIUXYHARBJ-UHFFFAOYSA-N 394.537 2.745 0 40 GFAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)Nc3ccccc3)C2)C1 96225070 IHOYGLKGZOSUCW-NRFANRHFSA-N 393.447 2.541 0 40 GFAB CCN1C[C@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 100665290 VXSPCLKACDEESP-LLVKDONJSA-N 399.838 2.676 0 40 GFAB CCN(CC)CCCN/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 102305592 LKONWIZKSLOGPD-KNTRCKAVSA-N 378.476 2.931 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1nc2ccccc2[nH]1 102309668 LFBXTHZXKLLHRG-SNVBAGLBSA-N 379.445 2.590 0 40 GFAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 106113902 RHCOJJPJUSANIK-YOEHRIQHSA-N 378.542 2.790 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)cc1F 219435307 VFXSLJSVLDRMLJ-UHFFFAOYSA-N 380.372 2.528 0 40 GFAB CSc1nnc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)s1 224409450 ANPHCLOSMHFXHF-UHFFFAOYSA-N 398.535 2.751 0 40 GFAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 225185249 WGBOSLDTWVSZLG-UHFFFAOYSA-N 379.434 2.908 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccccc1Cl 225603278 UICPTOSCXJNOPA-UHFFFAOYSA-N 390.958 2.898 0 40 GFAB COc1cccc(N(C)C(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225949175 PMFSCSFBTWTHEU-KRWDZBQOSA-N 396.896 2.992 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2C)NS(C)(=O)=O)cc1 225955222 SPMCHYODALVIDF-GOSISDBHSA-N 376.478 2.931 0 40 GFAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1cccc2c1OCCO2 253405910 TYQBJNRKCGLNIS-UHFFFAOYSA-N 393.428 2.554 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccs3)CC2=O)c(OC)c1 408651702 NVYXNGFYQDISPB-LBPRGKRZSA-N 389.429 2.544 0 40 GFAB O=C(Cc1noc2ccc(F)cc12)N1CCC(c2nnc3ccccn23)CC1 569819466 DGYADFINWHTCSX-UHFFFAOYSA-N 379.395 2.958 0 40 GFAB COc1ccccc1Oc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)nc1 578843766 DKCBILUJAULSIU-KBPBESRZSA-N 390.461 2.530 0 40 GFAB CCOC1CC2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(OC)cc3)C2)C1 585082095 CEKHSMGUHBXGGT-LVIWNVNYSA-N 386.492 2.717 0 40 GFAB Cc1cncc(C(=O)N2C[C@@H]3OC[C@H](CCOCc4cccc(C)n4)[C@@H]3C2)c1 585094048 SSDQJUIWBZBKDR-YYWHXJBOSA-N 381.476 2.787 0 40 GFAB CNC(=O)NC[C@H]1CCCCN1C(=O)NCCc1ccccc1C(F)(F)F 1563770841 IYHKDQIEHKZABU-CQSZACIVSA-N 386.418 2.741 0 40 GFAB C[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)C1 1708073226 MLYGYPSQHOCOQL-DLBZAZTESA-N 388.560 2.588 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1)C1CCCC1 1775963778 CBFCTADLUCTSJU-INIZCTEOSA-N 386.427 2.879 0 40 GFAB biogenic,in-vitro Cc1cc(C(=O)N2CC[C@H](COc3ccc(-c4cccc(F)c4)nn3)C2)nn1C 1888901254 MNTQRFSNVTVOSP-HNNXBMFYSA-N 395.438 2.866 0 40 GFAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 940594 WJCSSEPXWSTIBB-SFHVURJKSA-N 392.419 2.618 0 40 GFAB CCc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1 1358065 LXNNPGHLENLODA-UHFFFAOYSA-N 390.447 2.890 0 40 GFAB CCc1nsc(N2CCCN(C(=O)Cc3ccn(-c4ccccc4)n3)CC2)n1 79093245 OLCXQUZRHXYSRP-UHFFFAOYSA-N 396.520 2.568 0 40 GFAB CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 23689942 TXNJQSUOZFPDSG-UHFFFAOYSA-N 390.461 2.787 0 40 GFAB Cc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)o1 4278904 UYKNNKSISDKNSQ-IOASZLSFSA-N 384.379 2.857 0 40 GFAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cs1 4893395 RHGVEVUIJMJSEB-LLVKDONJSA-N 399.472 2.999 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NCCc1ccccc1 6112273 PNEITHXWOPBOFZ-UHFFFAOYSA-N 386.249 2.518 0 40 GFAB Cc1ccc(C)c(OC[C@@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1C 106083241 KMDHOXWKNJMPRY-FQEVSTJZSA-N 384.524 2.742 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)c2cccs2)CC1 8380369 JUXGWQPOOVKXFE-UHFFFAOYSA-N 393.515 2.505 0 40 GFAB CCCOc1ccccc1NC(=O)N1CCC(NS(=O)(=O)CCC)CC1 43452185 ICVNALKDSAMLQJ-UHFFFAOYSA-N 383.514 2.801 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1cccc(C(=O)N2CCOCC2)c1 55861865 OGZIVYOFJGVHHJ-MRXNPFEDSA-N 379.460 2.549 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@@H](c1cccs1)C(C)C 25964606 VUVTWPJMIOGKRV-QGZVFWFLSA-N 399.520 2.953 0 40 GFAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)N[C@@H]1c2ccccc2C[C@@H]1O 57005966 CRXLOSBLHPRIAP-VQTJNVASSA-N 384.451 2.831 0 40 GFAB CC(C)CNC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1784935 UIOCJPYQSYYUNZ-LBPRGKRZSA-N 376.526 2.776 0 40 GFAB O=C(NCCc1ccc(O)cc1)c1ccc(Cn2cc(Br)cn2)o1 27980757 ARQKOJGFZVFEJM-UHFFFAOYSA-N 390.237 2.965 0 40 GFAB CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 58161471 ULCDONSATCAQEK-KRWDZBQOSA-N 394.947 2.528 0 40 GFAB COc1cc(CCC(=O)N2CCCN(C(=O)OCC(C)C)CC2)cc(OC)c1 58177833 MOYACEDRSFLKRN-UHFFFAOYSA-N 392.496 2.963 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)cc1 3352986 LPNBLPPQZAVMTN-FQEVSTJZSA-N 381.476 2.855 0 40 GFAB COCCOc1cc(C)ccc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 55702004 LANWBWOYDDOJPT-UHFFFAOYSA-N 381.432 2.828 0 40 GFAB NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 3352895 XVVKNXCLESCMCS-UHFFFAOYSA-N 377.372 2.565 0 40 GFAB COc1ccc([C@H](CC(=O)NCCCN2CCC(C)CC2)NC(C)=O)cc1 28070310 JJUHNJFJGGIUDD-FQEVSTJZSA-N 375.513 2.501 0 40 GFAB CC(=O)O[C@H]1OCCO[C@@H]1NC(=S)Nc1ccc(Nc2ccccc2)cc1 28294222 KCLFVERBWXDAKG-ZWKOTPCHSA-N 387.461 2.979 0 40 GFAB O=C(CCc1nnc(-c2ccsc2)o1)NCCOc1ccc2c(c1)OCO2 48300541 NYRQXNXIOKHASH-UHFFFAOYSA-N 387.417 2.655 0 40 GFAB Cc1sc2ncn(CCC(=O)NCc3ccccc3CN(C)C)c(=O)c2c1C 12848564 VOHCLQKJKFSLAD-UHFFFAOYSA-N 398.532 2.843 0 40 GFAB COc1ccc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)[nH]c2c1 3493513 NRYXITCYFCJQDQ-UHFFFAOYSA-N 387.461 2.997 0 40 GFAB CCOc1ccc(NC(=O)CNc2cccc(-n3nnnc3C)c2)cc1OCC 29687897 DLMGMWTVNNBVIG-UHFFFAOYSA-N 396.451 2.819 0 40 GFAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc(C(=O)OCC)c1 2800798 OYLVGIGKUABSTN-HOTGVXAUSA-N 391.420 2.870 0 40 GFAB CCC(CC)[C@@H](CNC(=O)c1cncc(Br)c1)N1CCOCC1 12998007 HBAVVWLJAFEQIZ-MRXNPFEDSA-N 384.318 2.711 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCCC1=CCCCC1 3600903 JUZSJTKMNVUOPN-JOCHJYFZSA-N 381.476 2.777 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC(F)F)c(OC)c1)n2C 13132640 MRUJOISNWJPJPY-UHFFFAOYSA-N 394.378 2.500 0 40 GFAB Cc1c(C(=O)O[C@@H](C)C(=O)NC(C)C)sc2nc3n(c(=O)c12)CCCCC3 39514963 FQATZURSHVBJKX-LBPRGKRZSA-N 391.493 2.563 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CCCC1 408703551 SMFRBQAXVZOZAM-UHFFFAOYSA-N 380.510 2.788 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(O)COc1ccc(C(C)=O)cc1OC 6509448 RKQVUSRALAYPGM-UHFFFAOYSA-N 388.416 2.928 0 40 GFAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(N2CCOCC2)cc1 6672483 UBPJGXJKLOTKKL-UHFFFAOYSA-N 383.473 2.928 0 40 GFAB CCCCCCn1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 9311964 NRWQURDMNLBUFZ-GOSISDBHSA-N 382.464 2.539 0 40 GFAB biogenic COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ncnc2ccsc12 9390092 SJIDYJMARFKTEE-CQSZACIVSA-N 387.486 2.684 0 40 GFAB CCOc1ccc([C@H]2NC(=O)NC(CN3CCC(C)CC3)=C2C(=O)OC)cc1 67287148 VWTYLPBJDXELPK-LJQANCHMSA-N 387.480 2.598 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1C(=O)NC(C)C 113946422 OFSRRJDSCGQTTO-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc2c(c1)OCCO2 7064469 VIRQAVKARSQFNX-CQSZACIVSA-N 382.416 2.991 0 40 GFAB CN(Cc1cccs1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 7392299 MTAFRMQPVUEKBG-UHFFFAOYSA-N 392.278 2.879 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2c(F)cccc2Cl)C1=O 7764306 CIFPFRFUHMFCEZ-GOSISDBHSA-N 375.787 2.520 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)CN(Cc2ccccc2F)C2CC2)c1 7872409 KCWCWMYTVKZKHN-UHFFFAOYSA-N 376.453 2.832 0 40 GFAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1S(C)(=O)=O 7856768 OWDKWHMXHLRKDY-CQSZACIVSA-N 375.446 2.891 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 16455033 NHVRGAYVQLNNSU-YEJXKQKISA-N 381.407 2.571 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(N)s2)c1 8066655 JOKRPEUQXQSROC-GFCCVEGCSA-N 380.495 2.593 0 40 GFAB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)c1C 8152832 NALMHURREZTEES-UHFFFAOYSA-N 397.475 2.974 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)NC1CCCCC1)S(C)(=O)=O 22251759 ILGWSUXARIJODI-UHFFFAOYSA-N 384.498 2.552 0 40 GFAB O=C(NCc1ccccn1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 17167777 NNPWKCVATBKNJL-UHFFFAOYSA-N 385.423 2.850 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)Oc2ccccc21 44902327 MSYORMAEYGGTKZ-UGSOOPFHSA-N 392.452 2.620 0 40 GFAB C[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 19939325 JNPLFIHBGLMUDO-INIZCTEOSA-N 376.460 2.726 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccccc2Cl)cc1 224000485 HLWZUTKCIZPRQN-UHFFFAOYSA-N 396.896 2.935 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)C1 18254680 BUTDEHXNUXFIPB-CALCHBBNSA-N 375.488 2.759 0 40 GFAB COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409229811 VHJBHAWHUXPWNV-WOJGMQOQSA-N 380.400 2.640 0 40 GFAB CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 8944685 DDCBFCFYGGQDOG-UHFFFAOYSA-N 380.491 2.584 0 40 GFAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC2(O)CCCCC2)CC1=O 72304358 SUIQLWDFFYUUNU-ZDUSSCGKSA-N 380.872 2.513 0 40 GFAB CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 409410880 RTOGNKLMLGFXIE-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306132949 LXIDSDYPDJQXLM-AWEZNQCLSA-N 376.507 2.987 0 40 GFAB O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)c1csc([C@H]2CCCO2)n1 535880911 XFJIQRDHUCMNGO-GFCCVEGCSA-N 391.415 2.668 0 40 GFAB CCCc1nnc(NC(=O)CSc2ccc(-n3nc(C)cc3C)nn2)s1 70688555 ZNYDBQWKVAMJBZ-UHFFFAOYSA-N 389.510 2.814 0 40 GFAB CCn1c(=O)n(CC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c2ccccc21 31269461 TWSRJSDKESRIQW-QFIPXVFZSA-N 393.487 2.795 0 40 GFAB COC(=O)C[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 216598437 NFQOYGSKVUFULD-URFJDIBFSA-N 392.455 2.767 0 40 GFAB COc1ccc(CCN(Cc2ccccc2)Cc2cn(CC(=O)O)nn2)cc1 568061896 WHUULUNEULZIOY-UHFFFAOYSA-N 380.448 2.616 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)Cc1ccccc1 224158772 YSURPLUTEJIVDA-UHFFFAOYSA-N 394.924 2.851 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 225837815 KAFRHZDTLYEQEH-INIZCTEOSA-N 390.505 2.810 0 40 GFAB CN(CC(=O)N=c1[nH]c2ccccc2[nH]1)C(=O)c1ccc(Br)s1 48369310 YAPOCODWQSDSPF-UHFFFAOYSA-N 393.266 2.520 0 40 GFAB CCc1nn2c(nnc3c(=O)n(CCN(C)C)ccc32)c1-c1ccc(Cl)cc1 40395886 LZAJUSOOUABGTI-UHFFFAOYSA-N 396.882 2.884 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCc1ccccc1 223644441 BIUNADONCPADAR-IBGZPJMESA-N 390.505 2.599 0 40 GFAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222762629 XEINWLFWHZABOD-NQIIRXRSSA-N 380.488 2.942 0 40 GFAB O=C(O)C1(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CCCC1 578654815 IODIDYHIBDZVLN-UHFFFAOYSA-N 375.816 2.777 0 40 GFAB CCOC(=O)CCC(=O)N1CCC(Oc2ncccc2Br)CC1 96096940 GKKWZWLHKIRUSC-UHFFFAOYSA-N 385.258 2.557 0 40 GFAB Cc1nc(COCC[C@H]2CCOC23CN(C(=O)c2cccn2C)C3)cs1 248138072 PJZNXOLQFGAZQN-HNNXBMFYSA-N 375.494 2.628 0 40 GFAB Cc1ccc(-c2csc(NC(=O)CN3CC[C@H](O)[C@]4(CCCO4)C3)n2)cc1 257229489 FYHQLVGXGKBRQP-PXNSSMCTSA-N 387.505 2.673 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H](OC)c1cc2ccccc2o1 253471968 HFKBKRQLURCZSV-CQSZACIVSA-N 395.458 2.947 0 40 GFAB CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 253406605 UTMHKJJPCKUKPC-CYBMUJFWSA-N 396.852 2.615 0 40 GFAB COc1cccc2cc(C(=O)N3CC[C@H](Oc4nc(C)cc(C)n4)C3)c(=O)oc12 253472334 LKOZZZRIDNSKND-HNNXBMFYSA-N 395.415 2.502 0 40 GFAB CCCCOc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 96098780 MCZLEHUMXGWAJZ-UHFFFAOYSA-N 393.513 2.588 0 40 GFAB O=C(N[C@H]1CNCC2(CCOCC2)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 1120557608 HVHLJJDQDZCWAF-MSOLQXFVSA-N 393.915 2.582 0 40 GFAB O=C(C[C@@H]1NCc2ccccc21)N1CCn2c(Cc3cccc(F)c3)nnc2C1 662581540 SNQNSPAKSRRCQB-IBGZPJMESA-N 391.450 2.585 0 40 GFAB Cc1ccc(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)cc1 585099774 SXAZHLQUSVXTEK-UHFFFAOYSA-N 377.488 2.974 0 40 GFAB CCc1nn(CC(=O)NCc2ccccc2F)c(=O)c2cc3ccsc3n12 12114289 OKDSNMTWDJZWIU-UHFFFAOYSA-N 384.436 2.729 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)c1 12329659 HUSXASKLCREKFD-MRXNPFEDSA-N 397.504 2.892 0 40 GFAB COc1ccccc1OCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 12913696 DJTNONCRSABSCL-UHFFFAOYSA-N 397.258 2.927 0 40 GFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCN(C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 19014466 SWAILVFTAAUJJV-WMZOPIPTSA-N 396.535 2.600 0 40 GFAB Cc1ccc2c(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c(C)ccc2n1 19654861 OVSRWMHOTDEVIP-UHFFFAOYSA-N 395.440 2.635 0 40 GFAB Cc1cc2ncc(CN(C)C)c([C@H]3CCCN3C(=O)Cc3c(C)noc3C)n2n1 19743570 PDUXXCMMIKIWJK-GOSISDBHSA-N 396.495 2.610 0 40 GFAB O=C(CN1C(=O)S/C(=C2/C(=O)Nc3ccccc32)C1=O)Nc1ccc(F)cc1 3639904 HWFDTYIVRIXZNX-FOCLMDBBSA-N 397.387 2.823 0 40 GFAB CC(=O)Nc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 12188293 GRTMXNPCTHROSI-QFIPXVFZSA-N 395.503 2.806 0 40 GFAB CCOc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 12225206 PQBCHEMPXOCAOQ-UHFFFAOYSA-N 380.444 2.883 0 40 GFAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)on1 13227742 NKOABNDVNWVJFF-AWEZNQCLSA-N 386.481 2.803 0 40 GFAB CCn1cc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4C(C)=O)on2)cn1 1848354184 AHOCKHPHDDHOPZ-DZJZLKLXSA-N 397.479 2.562 0 40 GFAB Cc1nc(N2CCN(c3ncc(Br)cn3)CC2)cc(C(C)(C)C)n1 1888849368 CHVTXOVUKYXIKF-UHFFFAOYSA-N 391.317 2.962 0 40 GFAB COc1cnc(N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)nc1 1889184596 MCOJDGLUUGFUJN-UHFFFAOYSA-N 383.427 2.559 0 40 GFAB COc1ccc(-c2cc(=O)n(CC(=O)N3c4ccccc4C[C@@H]3C)cn2)cc1 13807179 OCABAAGWYYPOIP-HNNXBMFYSA-N 375.428 2.897 0 40 GFAB O=C([C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCOCC1 105502762 AUEATDBODKTTBT-LLVKDONJSA-N 377.794 2.829 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225575439 KCTAYGSRDRONCO-OAHLLOKOSA-N 393.578 2.681 0 40 GFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575608047 DEQRRYFVSCYZIN-ZDUSSCGKSA-N 389.811 2.640 0 40 GFAB COc1cc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)ccc1O 244933190 CGEDRCKHRONNKJ-JBBXEZCESA-N 379.420 2.651 0 40 GFAB CSCC[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)O 6762811 JQOCZYXSNHPMAR-AATZCTEQSA-N 398.484 2.780 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 40080281 NMWRWVOCCRZGJU-KRWDZBQOSA-N 391.479 2.871 0 40 GFAB COc1cc(OC)c2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[nH]c2c1OC 31208001 GCWOVPYUPISFBN-UHFFFAOYSA-N 382.376 2.616 0 40 GFAB COc1cc2c(cc1OC)[C@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)N(C)CC2 31458190 SZDGAZFTAUFFQH-MOPGFXCFSA-N 383.400 2.873 0 40 GFAB biogenic C[C@@H]1Sc2ccc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)cc2NC1=O 21525734 UXBMHCRFOPFONZ-MCIONIFRSA-N 391.537 2.737 0 40 GFAB CSc1ccc(C)c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)c1 32906923 RJMPYZGCBBWCIA-UHFFFAOYSA-N 384.548 2.959 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)N(C)C)cc1 32960871 ZFBHNKADFANSTR-DNVCBOLYSA-N 384.480 2.624 0 40 GFAB Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(N4CCOCC4)cn3)C2=O)cc1C 53301774 COPZIRBXPPOAKG-IBGZPJMESA-N 394.475 2.527 0 40 GFAB CN(Cc1ccc(Cl)s1)Cc1nnc2n(C)c(=O)c3sccc3n12 47279617 KFIBLJAHYZHTRO-UHFFFAOYSA-N 379.898 2.990 0 40 GFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(C(C)C)CC1 25137368 OEGWDIZVNPCNSD-UHFFFAOYSA-N 379.508 2.985 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12388879 STXZGGNOECDWHJ-OAHLLOKOSA-N 395.850 2.971 0 40 GFAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCc3ccco3)cc2c1 916828 AWSWAWDYGSGQPW-UHFFFAOYSA-N 385.489 2.553 0 40 GFAB CCOc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 972169 YHMMTJOCGKGWJO-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB Cc1oc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCC1 42397422 BYKGKISOKBZVST-OAHLLOKOSA-N 390.461 2.626 0 40 GFAB O=C(NC[C@H](O)c1ccccc1F)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 78973088 JKZSRWZUSLZARU-SJCJKPOMSA-N 376.815 2.682 0 40 GFAB COCCn1ccc2c(C(=O)N3CCN(CCc4ccccn4)CC3)cccc21 79483401 PXBLACIHEHBHBN-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB Cc1cccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)n1 79479884 QCTLAORDVQDNJD-FQEVSTJZSA-N 395.507 2.885 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104677247 YYHNDTIBWWZPRM-QZWWFDLISA-N 397.475 2.857 0 40 GFAB CN(CCN1CCOCC1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 105207050 XQJLGAYEEZDYIJ-QGZVFWFLSA-N 383.439 2.639 0 40 GFAB Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)n1 12591715 JGMUVHMZKVSSQH-NSHDSACASA-N 387.383 2.714 0 40 GFAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CCN(c2ccccc2)CC1 12515394 BWXJSIDCMBRAFJ-HZPDHXFCSA-N 394.475 2.555 0 40 GFAB O=C(CNS(=O)(=O)c1ccccc1F)OCc1c(F)cccc1Cl 6465007 UWTHQPGWZHSLGU-UHFFFAOYSA-N 375.780 2.640 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2NS(C)(=O)=O)CC1 24889126 UIRUNILZMCEQPE-UHFFFAOYSA-N 397.497 2.644 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1324985 XAVNPOXHPVUMEN-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1c(C2=NO[C@](O)(C(F)(F)C(F)F)C2)c(O)c(OC)c2occc12 1416775 IHUIZCOUGXUUDB-AWEZNQCLSA-N 379.262 2.869 0 40 GFAB O=C(C[C@H]1C=CCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 25868977 XLAFQIHEALDQRJ-ZDUSSCGKSA-N 384.885 2.656 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cccs1)C[C@H]1CCCO1 26358572 ZLZUHAZBHKDYFM-CQSZACIVSA-N 395.502 2.889 0 40 GFAB COCc1cccc(NC(=O)CNC(=O)c2ccccc2Br)c1 25335271 YSSAVWZEFGROJL-UHFFFAOYSA-N 377.238 2.964 0 40 GFAB Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc2)c1 44486725 SOBJGFHYFGTQRY-INIZCTEOSA-N 381.461 2.881 0 40 GFAB COc1ccc(CN2CCC(CNC(=O)c3ccc4[nH]nnc4c3)CC2)cc1 58191976 SSRWEFLUJUSPGX-UHFFFAOYSA-N 379.464 2.609 0 40 GFAB COc1ccccc1CC(=O)N1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 58203310 RBHVOXYWUZQJLJ-UHFFFAOYSA-N 375.856 2.640 0 40 GFAB COC(=O)c1ccc(NC(=S)N2CCN(Cc3ccccc3OC)CC2)cc1 20098135 HVAPCVPYPGMTRT-UHFFFAOYSA-N 399.516 2.996 0 40 GFAB CN(C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 3384725 DIQZNMBAPQHCFK-UHFFFAOYSA-N 381.837 2.563 0 40 GFAB Cc1ccccc1CS(=O)(=O)c1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 2422510 ZCKJTWDHRSBEEE-LBPRGKRZSA-N 381.454 2.938 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)cc1 11458297 QQBBSIRYORWFNA-ZDUSSCGKSA-N 378.384 2.915 0 40 GFAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4cc(C)ccc4n3)C(=O)[C@@H]2C)cc1 11609743 OEFNUDJAMTYEMX-HNNXBMFYSA-N 376.416 2.669 0 40 GFAB NC(=O)COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 24275421 PICSDXOUELHOSP-UHFFFAOYSA-N 379.416 2.712 0 40 GFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@H]1CCCc2ccccc21 20030185 YEPNRRHVTNFUHN-SFHVURJKSA-N 388.489 2.898 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 2653204 LYMYEUQJYJGHSC-UHFFFAOYSA-N 377.784 2.635 0 40 GFAB COc1ccc(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2)c(OC)c1OC 12873284 NFJRARHDUFLZML-OAHLLOKOSA-N 379.840 2.758 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 3477523 NGMYYXFFMKSGIY-JTQLQIEISA-N 381.226 2.658 0 40 GFAB CCCN(Cn1nc(-c2ccccc2F)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12924388 KXFYVSUWDZLFJD-CYBMUJFWSA-N 398.529 2.614 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 12984426 JBRUYANHLGTGDV-UHFFFAOYSA-N 378.881 2.934 0 40 GFAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71288761 IWVLEGYYTWZQTN-UHFFFAOYSA-N 376.372 2.608 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)c1cc(C)n(C)c1C)(C3)C2 13145520 OPZIZOFSNNLOQV-RGMRCXJASA-N 386.492 2.843 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1ncccc1C)C(F)(F)F 6090738 TXJHDLWULGTOEY-INIZCTEOSA-N 385.317 2.803 0 40 GFAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 9220745 BOCNQYWLGUTABZ-KRWDZBQOSA-N 378.476 2.814 0 40 GFAB COC(=O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(N(C)C)cc2)C1=O 5016662 WCCJVBHBCIRNNT-KRWDZBQOSA-N 384.457 2.963 0 40 GFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c1 408611410 WYJQZHZJZPKZMI-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COC(=O)CNC(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 9212929 FGAXFHXOSGQYQC-GZTJUZNOSA-N 387.819 2.713 0 40 GFAB CCOc1ncccc1C(=O)OCc1nc2ccc(Cl)cc2n1CCO 6313932 HONIBPASEFZSRZ-UHFFFAOYSA-N 375.812 2.833 0 40 GFAB CCOc1cccc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 6488568 YQWMRUPSMFVHSY-OAHLLOKOSA-N 379.503 2.976 0 40 GFAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6531908 GBDBITHGRIYPGK-UHFFFAOYSA-N 387.509 2.920 0 40 GFAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 6664926 CYUOMOFMTNJXBV-UHFFFAOYSA-N 384.701 2.536 0 40 GFAB Nc1nc(NS(=O)(=O)c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 9421803 RSXYRJGYFLYMAQ-UHFFFAOYSA-N 398.473 2.774 0 40 GFAB Cn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1C1CC1 4938350 LUHKQLSPPJGNJR-UHFFFAOYSA-N 389.525 2.579 0 40 GFAB COCCNC(=O)CN1CCN(c2cc(C)c3cccc(C(C)C)c3n2)CC1 7736166 NWCIGQVSLXSWLU-UHFFFAOYSA-N 384.524 2.551 0 40 GFAB Cc1cc(C)cc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 7814076 VJOOIUSLEQPOHH-UHFFFAOYSA-N 386.496 2.694 0 40 GFAB CCOc1ccc(OCCNC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 7986922 INUKDHXIJGRAIW-QGZVFWFLSA-N 388.489 2.947 0 40 GFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 8319324 UFJQBOXRPCYEOL-KRWDZBQOSA-N 396.443 2.640 0 40 GFAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCOCC1 17077354 QOLCJLXPUHKFNV-UHFFFAOYSA-N 378.425 2.612 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCSc2nc3ccccc3n2C)cc1 8461292 DSTZCWSLECXXAD-UHFFFAOYSA-N 391.518 2.995 0 40 GFAB CCCn1c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 17320895 KXWWGVXTFAIKLF-UHFFFAOYSA-N 381.432 2.648 0 40 GFAB CC1CCN([C@H](C)CNC(=O)CCCNC(=O)OCc2ccccc2)CC1 69923699 GABVGWJAKLBVPW-GOSISDBHSA-N 375.513 2.930 0 40 GFAB O=C(c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12)N1CCOCC1 95477695 CSSSYWDDFOERKG-UHFFFAOYSA-N 388.345 2.880 0 40 GFAB Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CN(Cc4ccccc4)CC[C@@H]32)c1 306138998 SMPVPGAHMBZFIW-LEWJYISDSA-N 398.528 2.509 0 40 GFAB COCCCN1CCC(NC(=O)COc2cc(Cl)ccc2Cl)CC1 89410257 FDMPDHRHEUSVCG-UHFFFAOYSA-N 375.296 2.989 0 40 GFAB Cn1cc(C[C@@H](CNC(=O)Nc2sc3ccccc3c2Cl)C(N)=O)cn1 89755381 ZDQRRIUFUUIGJU-NSHDSACASA-N 391.884 2.754 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 20490426 JGBNYAXHFWBHJG-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB COc1ccccc1N1CCN(C(=O)[C@H](C)n2ccc(C(F)(F)F)n2)CC1 27973996 HBPZLJXUFKEKMY-ZDUSSCGKSA-N 382.386 2.820 0 40 GFAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)N1CC(Cc2ccc(F)c(F)c2)C1 547704493 JYDQCOLNUUHFSH-OAHLLOKOSA-N 390.409 2.962 0 40 GFAB Cc1ncsc1CN1C[C@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@H]2C1 306132735 LQORPFSXRMOYIO-GJZGRUSLSA-N 394.504 2.600 0 40 GFAB CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](C)c1ccccc1 35855761 CMYPWYFYCZTSCH-TYCQWZJGSA-N 379.504 2.719 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 1568719198 NGKILNYUWNAXQG-OAHLLOKOSA-N 397.397 2.874 0 40 GFAB O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCO[C@H](c2ccccc2)C1 79489737 HJPABEJFQAAARE-IRXDYDNUSA-N 386.883 2.947 0 40 GFAB COc1ccc(CN2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cc1 72380594 WRXORVSDRDQZJC-HXUWFJFHSA-N 384.480 2.618 0 40 GFAB Cc1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c(C)n1C1CCCCC1 40025580 XFTOLPRVXCOTJQ-UHFFFAOYSA-N 381.542 2.764 0 40 GFAB CC[C@H](C(=O)NCCOc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 224308983 CLZRNHUGZGUSNF-GOSISDBHSA-N 394.468 2.566 0 40 GFAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 40288602 LKKGEMWPTXZITI-UHFFFAOYSA-N 396.834 2.559 0 40 GFAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(Cl)cc2Cl)n1 224177032 LWVWAVPAWFZTIR-UHFFFAOYSA-N 381.263 2.858 0 40 GFAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(F)c1 225105365 UUCKOXOYRRJRAH-UHFFFAOYSA-N 385.388 2.732 0 40 GFAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccccc1 222774574 CJHFXUGUXPSHJF-RXVVDRJESA-N 396.487 2.778 0 40 GFAB COc1ccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1 222901030 MPYCYJCGUIBPKX-UHFFFAOYSA-N 392.477 2.667 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nc(C)cc(N2CCOCC2)n1 95471993 RBTWMGTUWUBHQK-UHFFFAOYSA-N 388.493 2.751 0 40 GFAB CC1(C)CN([C@H](CNc2ccc(C(=O)O)nn2)c2ccc(Cl)cc2)CCO1 582423290 QELMTICSLQEZON-MRXNPFEDSA-N 390.871 3.092 0 40 GFAB O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1csnc1-c1ccccc1 585138278 ARCZNJDYTGOCDH-OAHLLOKOSA-N 390.490 2.986 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242547624 KNSPEFDVYGFDKP-JZXOWHBKSA-N 397.855 2.679 0 40 GFAB COC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242538924 JIDSSZFALXRQKC-GUDVDZBRSA-N 395.908 2.880 0 40 GFAB CCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)CC1 253596652 UNHQNJAZFOTXBR-TYTAMAGNSA-N 396.535 2.529 0 40 GFAB Cc1nn2cccnc2c1C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 588928338 IOWLBESVQQYMAN-UHFFFAOYSA-N 387.447 2.843 0 40 GFAB COc1cccc([C@H](CNC(=O)c2cccc3c2OCCNC3)N2CCCC2)c1 1121982966 XMELWODEBWGJAE-NRFANRHFSA-N 395.503 2.744 0 40 GFAB Cc1[nH]ccc(=NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1Br 653543099 CKQKDLDMTWZWMQ-INTQDDNPSA-N 384.274 2.831 0 40 GFAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 585291873 GQTOKCXNGUJBOV-LKGOPFMKSA-N 386.459 3.348 0 40 GFAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CN(S(=O)(=O)C2CC2)C1 70838618 WBPXKBDKLRKOFC-UHFFFAOYSA-N 382.791 2.721 0 40 GFAB O=S(=O)(c1ccccc1F)N1C[C@@H]2[C@@H](CCC[C@]2(O)c2cccnc2)C1 72342978 YDUASYHCNSOLTH-GMBSWORKSA-N 376.453 2.529 0 40 GFAB C[C@H]1Sc2ccc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2NC1=O 11527840 JXSQGJBPCUHGOR-GFCCVEGCSA-N 399.472 2.747 0 40 GFAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccccc2-n2cccc2)c1=O 12146635 SBYAFKMTSVOUJF-UHFFFAOYSA-N 375.388 2.515 0 40 GFAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccccc2Cl)C3)cc1 12154314 CVXQMIQYHWGIBL-SFHVURJKSA-N 383.835 2.999 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)o2)cc1 14341923 GTMOPLOOVITAHR-IYBDPMFKSA-N 386.448 2.762 0 40 GFAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 15197883 DSTJECZHFCHHQB-AWEZNQCLSA-N 391.489 2.917 0 40 GFAB CCN(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930251 JFFHIEJWVKKAKW-UHFFFAOYSA-N 388.917 2.618 0 40 GFAB COc1ccc2c(c1)CN(C(=O)N[C@H]1C[C@@H](C(N)=O)C1)[C@H](c1ccccc1)C2 651271353 YRKHVKOHGCSPHO-HQRMLTQVSA-N 379.460 2.768 0 40 GFAB CCS(=O)(=O)N1CCC(c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 12160507 MNYAFFGVEDPNGO-UHFFFAOYSA-N 376.404 2.586 0 40 GFAB O=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccccc1Cl 3319002 PJOOBZSNPHEFDC-UHFFFAOYSA-N 389.835 2.935 0 40 GFAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CC[C@@H](C(=O)NC(C)(C)C)C3)ncc12 1889096872 NZZHMODDZVZMKU-OAHLLOKOSA-N 397.523 2.956 0 40 GFAB O=C(CCc1cccc2ccccc12)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238876997 OHMOOBBCSQDWKH-OYRHEFFESA-N 388.467 2.934 0 40 GFAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@@H](N3CCCC3)CS2)C1 2056224082 CWKKRAGYNNFPNB-CYBMUJFWSA-N 395.575 2.641 0 40 GFAB Cc1cc([C@H](O)CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(C)o1 1565519694 LUMANNVHAQAEJE-GOSISDBHSA-N 376.434 2.872 0 40 GFAB COc1ccccc1CCNC(=O)CSc1ccc(-c2cccnc2)nn1 4392087 RPLXENYZARQZBW-UHFFFAOYSA-N 380.473 2.998 0 40 GFAB CCOC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 4479609 XIWQHEGOFVWLFI-INIZCTEOSA-N 397.431 2.799 0 40 GFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4F)ccn3n2)cc1 7615957 YHAOMVJZAPATNH-UHFFFAOYSA-N 392.390 2.949 0 40 GFAB CN([C@@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1)S(=O)(=O)C1CC1 2086864712 CFGCOYPOARWPTJ-LLVKDONJSA-N 381.395 2.632 0 40 GFAB COc1ccc(C[C@](C)(O)CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 77200861 OHRXCFSVEOZCIR-QFIPXVFZSA-N 397.450 2.958 0 40 GFAB CC(C)CCCn1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 20758892 XVTCCQYEJADZJM-LJQANCHMSA-N 396.491 2.737 0 40 GFAB biogenic COc1cccc2cc(-c3nc(CS(=O)(=O)c4ccccc4)no3)c(=O)oc12 57354722 NTAFKSXECHGCBW-UHFFFAOYSA-N 398.396 2.826 0 40 GFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)cn2)n1 40088986 LKJZBDFIDWOPAU-INIZCTEOSA-N 393.447 2.968 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 40121556 BMRYXUPMLOPWIU-RHSMWYFYSA-N 388.537 2.866 0 40 GFAB CCOC(=O)c1c(NC(=O)COc2c(C)occc2=O)sc2c1CCC2 40285973 RFFZVNAWUNQOAI-UHFFFAOYSA-N 377.418 2.693 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 31992311 VBHISOWDILAERK-OAHLLOKOSA-N 397.497 2.626 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 102274437 YQPXLRZBYBIMPI-KXBFYZLASA-N 379.460 2.655 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(COCC(F)(F)F)cc1 32869148 PVZXBSACZCJYTM-UHFFFAOYSA-N 377.326 2.994 0 40 GFAB CN1C(=O)[C@@]2(N=C(N)NC(Nc3ccc(Cl)cc3Cl)=N2)c2ccccc21 19327744 ZNBVYQBPDCHHMM-QGZVFWFLSA-N 389.246 2.509 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1 79072481 NKTJZTCJFLMANH-FQEVSTJZSA-N 393.443 2.760 0 40 GFAB O=C([C@H]1CC(c2ccc(Cl)s2)=NO1)N1CCN(Cc2ccccn2)CC1 55069524 OOYPZBWQZDMMNV-OAHLLOKOSA-N 390.896 2.634 0 40 GFAB O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc2c(c1)OCCO2 24576018 LUUCOCDTPVVPCL-UHFFFAOYSA-N 385.401 2.841 0 40 GFAB COc1cc2nc(C3CC3)n(NC(=O)c3ccccc3OC)c(=O)c2cc1OC 4891689 HUPLKVWPOJVYKY-UHFFFAOYSA-N 395.415 2.684 0 40 GFAB CC(C)(C)NC(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6083178 KFMDHPOGFYOREC-UHFFFAOYSA-N 376.269 2.753 0 40 GFAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1 6510071 SKUWXYRCICEMRF-UHFFFAOYSA-N 379.526 2.674 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 7872075 XRKKFMRSZBSDQT-LBPRGKRZSA-N 378.425 2.822 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC)cc2)CC1=O 7881522 DAQUITZBWDBWBZ-INIZCTEOSA-N 397.427 2.873 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S(C)(=O)=O)ccc12 8006680 HHYIPMKPCCPTEJ-UHFFFAOYSA-N 387.413 2.522 0 40 GFAB C[C@@H](C(=O)NCC1CCCCC1)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8324006 JICPRUUJMSSEIJ-NYHFZMIOSA-N 383.492 2.855 0 40 GFAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 8623389 UYLJAQHEKOTYGP-GOSISDBHSA-N 391.880 2.827 0 40 GFAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c1 8844148 PSRIQTQMVMABMW-UHFFFAOYSA-N 387.461 2.555 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(C)c4C)C(=O)[C@H]23)cc1OC 101261555 NKMWMMVPPIEBOA-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB CC(C)(CNC(=O)c1ccccc1OCCOc1ccccc1)N1CCOCC1 25607884 BTKUDOQSWOVSGO-UHFFFAOYSA-N 398.503 2.985 0 40 GFAB CCOc1ccc(CCNC(=O)Cc2n[nH]c(-c3ccncc3)n2)cc1OCC 35326093 QTRNQDHYIQUARD-UHFFFAOYSA-N 395.463 2.566 0 40 GFAB CC(=O)CC(=O)CSc1nc2ccccc2c2nc(-c3ccncc3)nn12 9937963 NVXRWOMKFUGJNI-UHFFFAOYSA-N 377.429 2.980 0 40 GFAB O=C1NC2=C(C(=O)N(Cc3ccccn3)C2)[C@@H](c2ccccc2C(F)(F)F)N1 57531468 YSFQWKMQAWSCAH-MRXNPFEDSA-N 388.349 2.751 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccccc2C)CC1 57767329 XRDXBLZYBSXFIP-UHFFFAOYSA-N 386.517 2.747 0 40 GFAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCN(c2ccccc2)CC1 27019493 MFSIWJUENAETFP-INIZCTEOSA-N 378.476 2.721 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 12623106 LDNUWIFBPZRHPL-SFHVURJKSA-N 391.514 2.805 0 40 GFAB O=C(CSc1ncc2ccccn12)N1CCN(CCOc2ccccc2)CC1 12602489 WFYQUTHJNIGSSH-UHFFFAOYSA-N 396.516 2.650 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2)N2CCCN32)cc1 100628324 FQAIRYRCTPLSPA-QRVBRYPASA-N 397.862 2.884 0 40 GFAB COc1cc(N)c(Cl)cc1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 10550992 UFLBHBLUQVBPNF-UHFFFAOYSA-N 398.868 2.538 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cn1 3343995 LEWLRBVTYRISEF-UHFFFAOYSA-N 390.856 2.759 0 40 GFAB Cc1c(NC(=O)CCc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C 28695614 SXPOFASLEHNFIS-UHFFFAOYSA-N 375.432 2.932 0 40 GFAB Cc1cnc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cn1 12881042 CEJZLPFTJBEHRE-UHFFFAOYSA-N 375.454 2.787 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)s1 12921255 OPEVQKJPIQIVEV-LLVKDONJSA-N 394.522 2.700 0 40 GFAB COc1cc(COC(=O)Cn2c(=O)cnc3ccccc32)ccc1OC(F)F 39977685 IDXAFSOQQOHSMA-UHFFFAOYSA-N 390.342 2.750 0 40 GFAB O=C(NCc1ccccn1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944710 MKOYYXPXNBFHNG-HNNXBMFYSA-N 396.878 2.924 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)CSc2ccccn2)ccc1Cl 5261931 YUZAZIWWDIOWDL-UHFFFAOYSA-N 385.898 2.716 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)c1 6506433 KXEVKSCRWDVMBR-UHFFFAOYSA-N 379.416 2.654 0 40 GFAB COc1cc(C[C@@H]2CC(c3cc(OC)c4c(c3)OCO4)=NO2)cc2c1OCO2 66091643 ONHGPOLTKSDTPX-CYBMUJFWSA-N 385.372 2.897 0 40 GFAB CCOC(=O)c1s/c(=N\c2cccc(C)c2C)n(N2CCN(C)CC2)c1C 4619771 IJJLOCAOCVZQPY-MRCUWXFGSA-N 388.537 2.767 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H]1c1cccs1)C2=O 6654205 SQUNSNLTXSXPRX-SHYRYGCCSA-N 375.494 2.912 0 40 GFAB C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C12CC3CC(CC(C3)C1)C2 96116317 HKCZEKGWCBMHBD-OHXLBJCVSA-N 395.503 2.848 0 40 GFAB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5703986 LPZZFYNNMGKTFG-HUUCEWRRSA-N 397.566 2.748 0 40 GFAB COC(=O)c1c(C(=O)OC)c(C)n(CCc2ccc(OC)c(OC)c2)c1C 4843917 MFXINYHCRHQQFX-UHFFFAOYSA-N 375.421 2.938 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(Cl)s3)nc21 6940959 QLLOJJRBWZSDET-UHFFFAOYSA-N 379.825 2.663 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2ccc(OC)cc2[nH]1 7219956 JAXAHRVFKDBWQB-HNNXBMFYSA-N 377.466 2.608 0 40 GFAB CCn1c(CN2CCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 7503542 NPXBZAUOBDRYGH-UHFFFAOYSA-N 376.526 2.827 0 40 GFAB O=C(CSCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19831350 ZMEJDUGCQVKOQH-UHFFFAOYSA-N 384.501 2.993 0 40 GFAB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC2 8405727 HYIFVBNVOSFKTR-GOSISDBHSA-N 399.878 2.831 0 40 GFAB CC(=O)c1cn(CCC(=O)NCCc2nnc3ccccn23)c2ccccc12 95477526 LHUCIUQFEHRDBS-UHFFFAOYSA-N 375.432 2.636 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 18266123 NVWVEVYXYRFDKA-GFCCVEGCSA-N 381.215 2.858 0 40 GFAB NC(=O)c1csc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c1 97108900 VYEYRPLTKYPHCC-GFCCVEGCSA-N 395.366 2.503 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1OC 408696695 DQAUYDCBYFWFTD-UHFFFAOYSA-N 394.449 2.862 0 40 GFAB CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(Br)cc1OC 409045468 PQLAROSVDLBWPG-WDZFZDKYSA-N 385.283 2.886 0 40 GFAB COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1NC(=O)OCc1ccccc1 306145288 ALQXTIWPFGWCMW-GOEBONIOSA-N 378.425 2.669 0 40 GFAB Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1ccc(O)nn1)C2 56912190 WSNOGWRGNJUTQX-UHFFFAOYSA-N 386.415 2.623 0 40 GFAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCc1ccccc1Cl 61969149 RPNIPJHVAPKCNB-UHFFFAOYSA-N 387.852 2.698 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(F)cc1 222982339 GQQWDMTVYCFOPW-CQSZACIVSA-N 376.403 2.897 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)COC2CCCC2)c1 40140725 BQONEWMIHOYDET-UHFFFAOYSA-N 397.541 2.681 0 40 GFAB CCSc1nc2n(n1)[C@H](c1cnn(C)c1)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 226439908 CUODOWOBTTYGSB-UHOFOFEASA-N 397.508 2.782 0 40 GFAB Cc1nc(C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3C)CC2)cs1 225547746 RPIDVVJWVJZJJG-UHFFFAOYSA-N 397.504 2.729 0 40 GFAB S=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 223898694 ZLCLPOWYXSRHOT-IBGZPJMESA-N 397.548 2.874 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(C)cc2)Oc2ccccc21 44950113 LFCYBIGAQQQONH-KXBFYZLASA-N 388.489 2.790 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238115 XQVDILATYFLFGL-SFHVURJKSA-N 375.519 2.681 0 40 GFAB Cc1cccn2cc(COc3ccc(C(=O)N4CC[C@@](F)(CO)C4)cc3)nc12 585080586 BZBCWLAVRIJXOC-NRFANRHFSA-N 383.423 2.768 0 40 GFAB Cc1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C(N)=O)CC2)c1 585122740 HOHYMEWORQXHPN-UHFFFAOYSA-N 379.464 2.905 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 250661261 FIMHXQAMZPEVJX-NHYWBVRUSA-N 399.274 2.900 0 40 GFAB FC(F)c1c(-c2nc(-c3ccc4c(c3)CCO4)no2)nnn1C1CCNCC1 629678321 HPKLSWYDPWSPRU-UHFFFAOYSA-N 388.378 2.792 0 40 GFAB CC1(C)C(=O)N[C@H]1C1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 639701259 CVNAMWWRKRHBCK-SFHVURJKSA-N 381.480 2.700 0 40 GFAB C[C@H]1[C@@H](NC(=O)N2CCC(c3ccon3)CC2)CC(=O)N1Cc1ccccc1 661127079 SKKKMVFRKJWWSR-KXBFYZLASA-N 382.464 2.753 0 40 GFAB O=C1C[C@@]2(COCCN(c3ncnc4ccsc34)C2)CN1Cc1ccccc1 585104413 MNEKFCNEEBCPMZ-NRFANRHFSA-N 394.500 2.947 0 40 GFAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1O 72392887 SRAJCHGDUPTTQJ-QGZVFWFLSA-N 392.459 2.926 0 40 GFAB COCCN1CCN(c2ccc(NCc3cc4ccccc4[nH]c3=O)cc2)CC1 72396174 MIWKQMMQVGDJJR-UHFFFAOYSA-N 392.503 2.909 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 60363569 QARFRTSRZNIDDA-INIZCTEOSA-N 388.449 2.816 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77198153 SXISNEAGVNQDTN-NSHDSACASA-N 393.362 2.937 0 40 GFAB CCN1CCC(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 1615124296 WKHSHEABAXIALY-QHCPKHFHSA-N 399.535 2.533 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615157942 OUDDFTWFVVDJAV-NRFANRHFSA-N 383.423 2.567 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14200810 HTDTZVPBDQCAHW-KRWDZBQOSA-N 391.427 2.531 0 40 GFAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1 16978287 YHOKYZPGNYGHIO-UHFFFAOYSA-N 389.458 2.683 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccnn1C 19017530 XKYPQKQRKUUSCU-ZVDOUQERSA-N 380.492 2.819 0 40 GFAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)Cc4cccnc4)[C@H]23)cc1 19019312 PCFKAWCHIWEJQL-MQSCRBSSSA-N 393.487 2.638 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)C4CCCCC4)[C@H]3C2)cc1 19211719 QRTCLXINWINDME-NEWSRXKRSA-N 376.522 2.701 0 40 GFAB Cn1c(CN2CCCCC2)nc2cc(NC(=O)CN3CCCCCC3=O)ccc21 19289823 UGXTZFMWTPQEIE-UHFFFAOYSA-N 397.523 2.900 0 40 GFAB CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1 19533024 XHUNEXGBMCXAIZ-SFHVURJKSA-N 394.519 2.812 0 40 GFAB Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3C(=O)Cc3csc(C)n3)n2n1 19743562 LBMDTYOZVDXORS-KRWDZBQOSA-N 398.536 2.770 0 40 GFAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc(C(=O)N(C)C)c3)cc2)n1 103001014 YUOKSUULSWDKBG-UHFFFAOYSA-N 376.416 2.699 0 40 GFAB O=C1N[C@]2(COC3(CCN(C(=O)Cc4ccsc4)CC3)C2)Nc2ccccc21 12085494 KNCGORZPWRNETA-OAQYLSRUSA-N 397.500 2.624 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](c3noc(-c4cnccn4)n3)C2)cc1OC 12187606 AIQXNDFWZZNSTJ-AWEZNQCLSA-N 395.419 2.564 0 40 GFAB CCn1nc(C)c(C(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)c1C 12225729 AQWWIZPMLLVDRR-UHFFFAOYSA-N 396.491 2.625 0 40 GFAB CN1CCN([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2cccn2C)CC1 21152704 MQOZYYCIPAEBPT-GOSISDBHSA-N 394.441 2.762 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(Cl)ccc1N1CCCC1 6821141 KITXQQWBMWWXFY-UHFFFAOYSA-N 390.871 2.743 0 40 GFAB COc1cccc2sc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc12 1888913917 RKQVLGPUPSSJIH-UHFFFAOYSA-N 385.493 2.919 0 40 GFAB CCc1ncnc(N2CCC(Cn3cnc4cc(OC)ccc4c3=O)CC2)c1F 1889191437 OYZNTDPLKRKINR-UHFFFAOYSA-N 397.454 2.813 0 40 GFAB COc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037989003 QVDJBJGHTRCCEY-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 4249509 FMFXLDMHFZBRJR-AWEZNQCLSA-N 381.480 2.649 0 40 GFAB Cc1nnc2sc(-c3cccc(NC(=O)[C@H]4COc5ccccc5O4)c3)nn12 5032617 APHIHEPAIDXZBC-MRXNPFEDSA-N 393.428 2.940 0 40 GFAB C[C@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 5087066 HQMJJAASDIHBGU-INIZCTEOSA-N 381.476 2.705 0 40 GFAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 5257762 QXGJTINKRBNVBY-INIZCTEOSA-N 391.855 2.832 0 40 GFAB CCOc1ccc(C(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1 11796934 ODDCTUPINWFQGR-UHFFFAOYSA-N 378.436 2.856 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)n(C)n1 12443981 NNPWSNSETGMOAE-AWEZNQCLSA-N 376.482 2.544 0 40 GFAB COc1ccc(CN2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1F 1889133912 PTGWVYWEYQIWPM-UHFFFAOYSA-N 385.487 2.855 0 40 GFAB COc1ccc(N2N=N[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]32)cc1OC 101260755 HAAMMCZJCZLDNF-MSOLQXFVSA-N 380.404 2.818 0 40 GFAB O=S1(=O)CC[C@@H](CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)C1 2086896501 CXCPVFFMRHAICJ-ZDUSSCGKSA-N 379.913 2.897 0 40 GFAB COc1ccc(CCNCc2cc3cc(C)ccc3n3nnnc23)cc1OC 19221197 HKQZGGHLPLPUQL-UHFFFAOYSA-N 377.448 2.935 0 40 GFAB Cc1cccc(C)c1OCCOC[C@H](O)CN1CCN(Cc2ccccc2)CC1 22465245 JWCNPBXBVWGWBF-HSZRJFAPSA-N 398.547 2.878 0 40 GFAB COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccc3ccccc23)c(OC)c1 70636251 KUPGRAADZPQNAW-LJQANCHMSA-N 394.427 2.645 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1F 77099525 VRHBJHXBPUYPRY-KRWDZBQOSA-N 385.482 2.862 0 40 GFAB CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1F)CC2 77196365 CMRATYDDYXWIFL-UHFFFAOYSA-N 385.442 2.598 0 40 GFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc3ccccn23)cc1 40088964 ANCGGWOCRJVLJL-CQSZACIVSA-N 399.476 2.545 0 40 GFAB COc1ccccc1C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 20146370 UANGOOVNIHDNOP-UHFFFAOYSA-N 385.489 2.654 0 40 GFAB COc1ccc2c(c1)[C@@H]1NC(=S)N[C@@](C)(O2)[C@H]1C(=O)Nc1ccccc1C 100870422 OMEBMIFLGJRKPD-UWVAXJGDSA-N 383.473 2.886 0 40 GFAB CCc1nnc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)s1 31814899 OMXJRBRAEQAKLA-UHFFFAOYSA-N 389.433 2.714 0 40 GFAB CC(C)c1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1 31811869 XSNYOPBSFMZFLD-UHFFFAOYSA-N 397.507 2.895 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccc(F)cc1 21267104 LNGMZTQBLDINPG-SNVBAGLBSA-N 377.322 2.900 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)cc1OC 32833674 FBBBZOWSFJALEX-UHFFFAOYSA-N 388.449 2.609 0 40 GFAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc2c(c1)OCCCO2 52689367 OZKMPPVQSRCDFR-XIRDDKMYSA-N 388.464 2.593 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325596 WZKAYJBJAVVCBG-HNNXBMFYSA-N 375.494 2.746 0 40 GFAB COC[C@@H](C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2347993 BURVHYLWGFCMGP-GFCCVEGCSA-N 380.404 3.000 0 40 GFAB COC(=O)c1c(NC(=O)Cn2c(=O)cnc3ccccc32)sc2c1CCCC2 3336277 YBGCHUCBWMVWFJ-UHFFFAOYSA-N 397.456 2.762 0 40 GFAB COc1cccc(C[C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 4029995 JKROYVBMPNATCP-AEFFLSMTSA-N 385.460 2.955 0 40 GFAB biogenic CC[C@H](C)NC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@H]2SC1(C)C 4081099 FNAYHWOEEFYCAK-WQFPPAFTSA-N 378.494 2.967 0 40 GFAB biogenic C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 4288785 QVHRNKZDOFBGRD-HJPURHCSSA-N 391.471 2.908 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 4883480 BLAOZTMTPWSXMP-KXBFYZLASA-N 394.537 2.791 0 40 GFAB CCC[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4998883 NNYNYQMYUBLPOA-PKOBYXMFSA-N 399.535 2.891 0 40 GFAB O=C1CCC(=O)N1CCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 5189366 VIUJGXOFZYVFGA-UHFFFAOYSA-N 377.485 2.729 0 40 GFAB CCOc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc1Cl 6351479 WOSRKZCZTQIOTK-UHFFFAOYSA-N 385.902 2.619 0 40 GFAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccccc3Cl)c(=O)n2n1 6363594 CNTRUWBHBVIGPI-YBEGLDIGSA-N 397.843 2.944 0 40 GFAB CN(CC(=O)N[C@H]1CCSc2ccccc21)S(=O)(=O)c1ccc(F)cc1 6652269 DSYFIMHBQXQETE-INIZCTEOSA-N 394.493 2.800 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 6789698 GVZABHSQFGYVFE-QFIPXVFZSA-N 377.444 2.971 0 40 GFAB COc1cc(C)c(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 7668085 QIPJJFGJTSUWLG-UHFFFAOYSA-N 393.461 2.604 0 40 GFAB Cc1ccsc1CN(C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 7988487 KVXWWYHPLIZCNX-UHFFFAOYSA-N 385.411 2.661 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1F 8067470 HKXBIWLMTUVXMW-UHFFFAOYSA-N 378.350 2.610 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(C)nc3ncnn3c2C)c1 8356406 JAPCUHQGKKQAJR-ZDUSSCGKSA-N 383.452 2.568 0 40 GFAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)on2)cc1 8433464 PYKGMPWLJFVAMY-UHFFFAOYSA-N 389.408 2.672 0 40 GFAB COc1ccc(CCNC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9040529 URCULJADZQRSOR-SFHVURJKSA-N 381.476 2.898 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9250889 OBWOXMRDWDATJX-UHFFFAOYSA-N 380.495 2.664 0 40 GFAB Cc1ccccc1N1C(=O)N[C@@](NC(=O)c2cccs2)(C(F)(F)F)C1=O 9419324 LYJHYUVORACEDN-OAHLLOKOSA-N 383.351 2.801 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(N)nc(N)n1)c1ccccc1 11232916 TWZWUIJIJNHKEU-OAHLLOKOSA-N 396.476 2.825 0 40 GFAB COc1ccccc1C[C@H](C)NC(=O)c1sc(N2CCOCC2)nc1C 12197012 PXWFWVSOPBRBHP-ZDUSSCGKSA-N 375.494 2.658 0 40 GFAB CCOc1cc(CN2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)ccc1O 12275491 MKBYGCBZKBBJCS-KRWDZBQOSA-N 394.479 2.752 0 40 GFAB Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(=O)O)c2)C3)cc1 12323250 NNBHBKMXWSEAFR-GOSISDBHSA-N 377.400 2.690 0 40 GFAB CCn1c(SCc2cc(=O)n3ccsc3n2)nc2ccsc2c1=O 12793212 NQCPYQLKSPXIQC-UHFFFAOYSA-N 376.488 2.840 0 40 GFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCn1nc(C)cc1C 12793287 JBJKGZSEYSNOKT-UHFFFAOYSA-N 387.871 2.829 0 40 GFAB C[C@H](NC(=O)CSc1cc(F)ccc1F)c1ccc(S(N)(=O)=O)cc1 12857009 BQNRLOPJPYMBPV-JTQLQIEISA-N 386.445 2.582 0 40 GFAB COc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12996360 HJSWNKLYYFRVRY-UHFFFAOYSA-N 383.473 2.731 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc3c2CCCC3)c1=O 13006364 UIKJWXNVNVMREF-UHFFFAOYSA-N 377.444 2.701 0 40 GFAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccccc1)S(C)(=O)=O 13711366 CPIYIRCKRBZJED-KRWDZBQOSA-N 396.534 2.874 0 40 GFAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 14187616 SCHKNNQZWMCSAH-OAHLLOKOSA-N 378.538 2.881 0 40 GFAB CN(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 14244417 ICWQBUWYSAGOLF-UHFFFAOYSA-N 389.408 2.582 0 40 GFAB Cn1c(=O)n(CCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 14800338 YPQOVBHFJWABPS-UHFFFAOYSA-N 375.331 2.690 0 40 GFAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CNC(=O)c1ccccc1 15910983 IXKKVEPUDPIPQP-NJAFHUGGSA-N 375.465 2.964 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CC[C@@]2(O)CCCC[C@@H]2C1 15954225 RFGXLRUPPXILRS-CMJOXMDJSA-N 397.471 2.814 0 40 GFAB biogenic CCc1cccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)c1 16844612 ZNTSQNWJKDWIQX-UHFFFAOYSA-N 385.493 2.983 0 40 GFAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O 16994077 XDTZCBJGZTUKBD-KRWDZBQOSA-N 387.436 2.971 0 40 GFAB COc1cc(CN2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc(OC)c1OC 19555350 NNETVHLGJSIHOW-INIZCTEOSA-N 387.480 2.792 0 40 GFAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 19690742 JHAZHAQMIKHJHY-HXUWFJFHSA-N 387.505 2.771 0 40 GFAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCc4ccccc43)cc2)C1=O 19797426 SKRPKDPTWLQNCG-UHFFFAOYSA-N 384.457 2.592 0 40 GFAB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(Cl)cc1)N(C)CC3)OCO2 20111432 HPIBAQZDBWUJTE-MRXNPFEDSA-N 399.838 2.630 0 40 GFAB biogenic CCOC(=O)C1=C(CN(Cc2ccccc2F)C2CC2)NC(=O)N[C@H]1CC 21584284 AQESUTCOOQUTJW-INIZCTEOSA-N 375.444 2.699 0 40 GFAB Cc1csc(NC(=O)COC(=O)CCc2nc(-c3ccsc3)no2)n1 22018220 WJCXXUIBTXWRMP-UHFFFAOYSA-N 378.435 2.678 0 40 GFAB COc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)c2nccn2C)cc1 24026321 NMRJCRNZOWVCKK-GOSISDBHSA-N 390.447 2.538 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H]1COc2ccccc2O1 26770035 YKAYTAVEFNKKNB-GOSISDBHSA-N 377.444 2.988 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 28192740 WIFITIJZXMZCGM-UHFFFAOYSA-N 387.335 2.639 0 40 GFAB Cc1ccc(O)c(C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 29156700 HNGOYSYGENTXMO-UHFFFAOYSA-N 396.443 2.735 0 40 GFAB Cc1ccc(CSCCNC(=O)Cn2cnc3ccc(F)cc3c2=O)cc1 32411798 ZQQNJUKIRJDMNW-UHFFFAOYSA-N 385.464 2.894 0 40 GFAB CCn1c(CSc2ncccn2)nnc1SCC(=O)NC1CCCCC1 35313130 AIUNWTIMNMZRPT-UHFFFAOYSA-N 392.554 2.921 0 40 GFAB C[C@H]1CN(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCO1 40135482 ZEJQXWGRKXSNFR-ZDUSSCGKSA-N 392.443 2.579 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1F 40149892 UPZCKIRCTUZXJU-GFCCVEGCSA-N 383.470 2.630 0 40 GFAB O=C(CSc1ccccn1)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386440 GEESDZICLVAEJU-MRXNPFEDSA-N 381.457 2.742 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC(=O)N(C)Cc3ccccc3)n2)c(F)c1 44920713 FIBNGTGUDHFBFI-UHFFFAOYSA-N 381.407 2.717 0 40 GFAB COc1cccc([C@@H](CNC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)N(C)C)c1 47681732 XXLWZPKHPDCLJA-GIXOBGAESA-N 395.503 2.632 0 40 GFAB Cc1ccc(CN2CCCN(C(=O)Cn3cnc4ccsc4c3=O)CC2)cc1 53651891 OJCVPLXJCGARKA-UHFFFAOYSA-N 396.516 2.501 0 40 GFAB COc1cc(C(=O)N[C@H]2CCCNC2=O)ccc1OCc1ccccc1Cl 64092318 WOTHBUXQPFFBDI-INIZCTEOSA-N 388.851 2.936 0 40 GFAB C[C@@H](CNC(=O)[C@H]1COc2ccccc2C1)N1CCN(c2ccccc2)CC1 65566762 MTVODHQXOUNYBI-AZUAARDMSA-N 379.504 2.565 0 40 GFAB CSc1ccccc1NC(=O)[C@H](C)n1nc(-n2nc(C)cc2C)ccc1=O 70655934 WHGMDMIFYCHCQI-AWEZNQCLSA-N 383.477 2.967 0 40 GFAB CC(C)(C)c1nc(CS(=O)(=O)CCC(=O)Nc2ccc3c(c2)CCC3)no1 71850390 MUVMCKSYZNIPIY-UHFFFAOYSA-N 391.493 2.799 0 40 GFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1 72307358 RBCFUPRXPZBXLF-HUUCEWRRSA-N 389.562 2.540 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 72339089 FKCUFWNDTOMWDZ-MOOKXKAQSA-N 397.519 2.543 0 40 GFAB Cc1cc(Nc2nncs2)nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72360013 BVXWGCVEPXMWLS-CQSZACIVSA-N 381.465 2.795 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)C2CC2)CCO1 72389122 IXEOBLSUCJQHNK-JOCHJYFZSA-N 382.435 2.528 0 40 GFAB CNC(=O)c1cccc(NC(=O)[C@H]2CC(O)=Nc3nnc(-c4cccs4)n32)c1 72403898 LCXVIBJAICNSMI-GFCCVEGCSA-N 396.432 2.538 0 40 GFAB CCN(C(=O)c1ccc(F)cc1Br)[C@H](C)CS(=O)(=O)CC 79041363 OSODSBQZVXHFNY-SNVBAGLBSA-N 380.279 2.874 0 40 GFAB COc1ccc(OC)c2c1CN(C(=O)NCc1ccc3c(c1)CCC3)C[C@H]2O 83937369 ZDUXCVJBPGGBKI-GOSISDBHSA-N 382.460 2.951 0 40 GFAB COc1cccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)C[C@@H]2C)c1 89939409 PIJCLGWBBVRSQH-ZDUSSCGKSA-N 382.432 2.873 0 40 GFAB CN1CC=C(CNS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CC1 95993310 JNWKJAIEUABWIV-UHFFFAOYSA-N 384.448 2.756 0 40 GFAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4nccs4)C[C@H]3F)nc2c1 96112389 CKLKXKTYKYWDFQ-DOMZBBRYSA-N 390.440 2.545 0 40 GFAB biogenic,in-vitro CN(C)[C@H]1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)C1 96146341 JXMOGPUZIUQZFT-HNNXBMFYSA-N 388.475 2.688 0 40 GFAB CC(C)c1ccc(CN2CC[C@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 96225592 IZJNOFFGHOJYAE-QHCPKHFHSA-N 398.551 2.743 0 40 GFAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3ccco3)C2)cc1 96227158 SAJVNFSZANLXFQ-QUCCMNQESA-N 388.489 2.559 0 40 GFAB O=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1cccc(F)c1 96316571 WPTRUSOHWCJNTC-HNNXBMFYSA-N 376.384 2.969 0 40 GFAB COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 100421799 UVNKWBCKIUPKEV-ORGXJRBJSA-N 396.418 2.516 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cccc(SC)c4)C(=O)[C@@H]32)c1 101277753 XLAXDXANAMJCNV-DLBZAZTESA-N 398.444 2.924 0 40 GFAB Cc1cc(O)c(-c2ccnc3nc(N4[C@H](C)CCC[C@H]4C)[nH]c(=O)c23)c(=O)o1 102273548 HKIDXLUQTCHARQ-GHMZBOCLSA-N 382.420 2.720 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1N1CCCCC1 217616662 XADVMSZONLIKQX-UHFFFAOYSA-N 388.489 2.896 0 40 GFAB COc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c(OC)c1OC 219211265 JDOSQBXCYDUQFK-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB CCSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)s1 223209652 GNIPYMBWGHDYNM-UHFFFAOYSA-N 386.524 2.607 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 223623166 XGBPXNQGCCFDLK-UONOGXRCSA-N 394.468 2.866 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccccc1C(F)(F)F 224359195 DNWNGDHOAAKCGF-UHFFFAOYSA-N 395.385 2.650 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1NS(C)(=O)=O 224401749 BTNHOUVBHDEOTK-UHFFFAOYSA-N 386.524 2.971 0 40 GFAB COC1(CNS(=O)(=O)c2ccccc2Br)Cc2ccccc2C1 225721515 ZJDCPDMKDYXFGB-UHFFFAOYSA-N 396.306 2.911 0 40 GFAB O=C(COc1ccc(F)cc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225794347 LRAXLDGDECCLEZ-UHFFFAOYSA-N 384.455 2.659 0 40 GFAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)c(C)c1 225924418 JIWMQMYLJNEQEQ-UHFFFAOYSA-N 376.478 2.840 0 40 GFAB O=C(c1ccnc(OCC2CCOCC2)c1)N1CCN(c2ccccc2F)CC1 253471295 BSKIBRTVSFUCSW-UHFFFAOYSA-N 399.466 2.989 0 40 GFAB Cn1ccnc1-c1cncc(C2CCN(Cc3ccc(C(=O)O)cc3)CC2)n1 257207425 BHRVXDCWEHRSSA-UHFFFAOYSA-N 377.448 2.955 0 40 GFAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccncn3)CCO2)n1 257270175 MTBIEWUZBPFFOY-SFHVURJKSA-N 379.420 2.611 0 40 GFAB CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257338138 YWBCSDRHMZPJOK-GUDVDZBRSA-N 391.899 2.508 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCCN2c3ccccc3C[C@H]2C)c1 260761917 FAYPNAQAWXVWLZ-OAHLLOKOSA-N 388.489 2.593 0 40 GFAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408707751 DNCIOGOCXYSHFO-UHFFFAOYSA-N 391.427 2.773 0 40 GFAB CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(-n2cccc2)ccn1 502081989 RQTNKPNUPSPYCU-INIZCTEOSA-N 383.473 2.855 0 40 GFAB Cn1cc([C@@H]2CN(C(=O)[C@H]3COc4ccccc4O3)Cc3ccccc32)cn1 575618520 IQQFYCKQJPMTPQ-GHTZIAJQSA-N 375.428 2.734 0 40 GFAB Cc1nc(COc2ccc(CN3CCN(c4ccc(F)cn4)CC3)cc2)no1 585084621 QJERSCPPRJFXBV-UHFFFAOYSA-N 383.427 2.813 0 40 GFAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106031 GFAGEKPXIQXZHI-IPELMVKDSA-N 387.499 2.524 0 40 GFAB O=C(c1ccnc(F)c1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 585108507 PKUMBDONBXLHCB-RXVVDRJESA-N 385.439 2.844 0 40 GFAB O=c1ccc(C2CC2)nn1CC1CCN(c2ccc(C(F)(F)F)nn2)CC1 585501932 FJLYIUBJXCLGDD-UHFFFAOYSA-N 379.386 2.846 0 40 GFAB Cc1cncn1C1CCN(S(=O)(=O)c2ccnn2CCc2ccccc2)CC1 621287441 NPJAMFDFUPPVMU-UHFFFAOYSA-N 399.520 2.657 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)c1 666036739 STGVLAGWFXMYIP-LJQANCHMSA-N 390.480 2.859 0 40 GFAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1ccc(OC2CCC2)cc1)N1CCCC1 1615547267 KNHDSIBWDDIJPZ-UFYCRDLUSA-N 384.476 2.612 0 40 GFAB CCN(CC)c1ccc(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2nccn2CC)cn1 1615552567 OJEPFNDYPNLDSF-LPHOPBHVSA-N 398.511 2.692 0 40 GFAB Cc1cc(C(=O)N2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)c(C)o1 1889211548 BNTJDDJWZMLVPD-UHFFFAOYSA-N 381.436 2.771 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841136 XNZLSVPPSSRKHQ-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB O=C(c1cccc(Cl)n1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 2055815436 RIDDVIWTZCJHGH-FQEVSTJZSA-N 386.883 2.889 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)CC1 809796 PGWSITFOCPEOEI-UHFFFAOYSA-N 381.476 2.989 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC 811954 XGMDFBJHJIEEGC-UHFFFAOYSA-N 390.505 2.832 0 40 GFAB Cc1cccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)c1 832086 LHZDXLUANPILTI-UHFFFAOYSA-N 395.484 2.902 0 40 GFAB CC(C)N(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C)C(C)C 1325462 NUKXAESJTSFBEZ-UHFFFAOYSA-N 376.482 2.948 0 40 GFAB O=C(O)c1ccc(N[C@@H]2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 2241784 POFBFHZQPHKWJP-CQSZACIVSA-N 386.385 2.717 0 40 GFAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccccc3)ccc12 2712261 XRDDYYDETRJEJJ-OAHLLOKOSA-N 394.427 2.971 0 40 GFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 3234261 AUEHVHALIAPCND-AWEZNQCLSA-N 397.406 2.808 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)c1 3237668 NTHZHBOUJURWIL-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB Cc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)s1 3456055 RWNOAVRAMYSQRZ-UHFFFAOYSA-N 388.902 2.829 0 40 GFAB COc1cc(OC)c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(OC)c1 3659421 XMOBTDPXQBPKTB-MHWRWJLKSA-N 386.379 2.944 0 40 GFAB Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 3957743 IDDYFCSPGBJCLZ-OAHLLOKOSA-N 377.466 2.639 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)o1 4278907 UYKNNKSISDKNSQ-XEZPLFJOSA-N 384.379 2.857 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 4280313 QBJDAMRFRDURNZ-UHFFFAOYSA-N 391.424 2.753 0 40 GFAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1 4295891 XZFNTEGVNYCVRR-JTQLQIEISA-N 390.531 2.569 0 40 GFAB CCOC(=O)c1c(N)nn(C(=O)c2ccccc2)c1OC(=O)c1ccccc1 4751256 DVAGPVPKMFGPNI-UHFFFAOYSA-N 379.372 2.550 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2[C@H]2C[C@@H]3C=C[C@H]2C3)c1 4776374 AHJXUORPBKTCRJ-XUJVJEKNSA-N 387.465 2.558 0 40 GFAB CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2cccs2)CC1 4898100 HABNCUWQGXFILQ-UHFFFAOYSA-N 384.509 2.589 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccco2)c(OC)c1 4937638 FWLNRONUOBRVJJ-QGZVFWFLSA-N 381.392 2.816 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 6326769 NUXHWAHBFXOTDJ-UHFFFAOYSA-N 380.441 2.778 0 40 GFAB Cc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl 6647789 JLGLNSOKERKWJM-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB NS(=O)(=O)c1ccc(Br)c(C(=O)OC/C=C/c2ccccc2)c1 6914542 LCAILIVVRQKBQG-QPJJXVBHSA-N 396.262 2.967 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 7007599 VGXOFOCQBNCMAB-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB CCn1c(C)cc(C(=O)OCC(=O)Nc2cc(NC(C)=O)ccc2OC)c1C 7078969 LHXYIFIALLRIFZ-UHFFFAOYSA-N 387.436 2.887 0 40 GFAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 7092653 VDFKNLOERGIGSA-SNVBAGLBSA-N 377.828 2.895 0 40 GFAB C[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)c1nc2ccccc2c(=O)[nH]1 7140829 AAXAKZLRKVUIAK-GFCCVEGCSA-N 379.372 2.526 0 40 GFAB C[C@H](OC(=O)c1cccc(N2CCCC2=O)c1)C(=O)NCCc1ccccc1 7314163 GRCMHFXLSYWUEU-INIZCTEOSA-N 380.444 2.718 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)cc3)ccc21 7325449 NQBGNBYETAOCQC-UHFFFAOYSA-N 399.472 2.523 0 40 GFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ccc2c(c1)OCCO2 7699011 FUSFRTKCWDRXJC-UHFFFAOYSA-N 390.436 2.786 0 40 GFAB O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccncc1 9001676 WUYSUFWHENTFRW-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)COc2cccc3ccccc23)cc1 9390294 HAMUVQSSTVZVSD-UHFFFAOYSA-N 398.484 2.584 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3F)C2=O)cc1 9419254 YYUBMPZPXDXFLH-KRWDZBQOSA-N 385.395 2.674 0 40 GFAB O=C(CCN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1ccc(O)cc1 9429809 AVZJBGAJAFYWKT-VBKFSLOCSA-N 386.429 2.771 0 40 GFAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(-n2cnnn2)c1 9460453 NHNNQSWNSQDUAB-UHFFFAOYSA-N 396.476 2.531 0 40 GFAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(S(C)(=O)=O)cc1 10309878 ZMFKQKHPRXGEBC-NSHDSACASA-N 392.502 2.991 0 40 GFAB CCCNC(=O)CN(C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 11230131 HQAHTOVZGAAERB-LJQANCHMSA-N 391.562 2.742 0 40 GFAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCS(=O)(=O)C2)sc1C 12228290 NRMIDJWTQOWAEW-KGLIPLIRSA-N 384.548 2.656 0 40 GFAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC(C)(C)C)C1=O 12241948 VXUWGPRTHOLYSQ-HNNXBMFYSA-N 384.432 2.929 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)c1 12336956 HARGQLDXBRMQJD-SFHVURJKSA-N 380.448 2.967 0 40 GFAB CC(C)(C)NC(=O)CNC(=O)c1c(-n2cccc2)sc2c1CCSC2 12993392 QSESTSVRXRKHJW-UHFFFAOYSA-N 377.535 2.973 0 40 GFAB CNC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 13099052 LBSWWPVNUYARGH-UHFFFAOYSA-N 382.416 2.809 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 13683498 SUZPKHHYMVLSDM-MRXNPFEDSA-N 382.388 2.521 0 40 GFAB COc1ccc(-n2nnnc2S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 14076684 PCLJFIBJJROWPK-QGZVFWFLSA-N 399.451 2.922 0 40 GFAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1cc(F)ccc1F 14672021 LAUHWFGKMORURY-SNVBAGLBSA-N 398.387 2.520 0 40 GFAB COC(=O)c1cc(NC(=O)c2cccnc2N2CCCC2)cc(C(=O)OC)c1 15658464 FVWNKAGNAQNMOA-UHFFFAOYSA-N 383.404 2.507 0 40 GFAB CC(C)c1nnc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)s1 16046718 SXKILEJVDPTWSC-ADLMAVQZSA-N 393.513 2.737 0 40 GFAB CC(C)c1nc(N2CCC(NC(=O)c3cc[nH]n3)CC2)ncc1-c1ccncc1 19451647 GEKVJOSOHFBRTH-UHFFFAOYSA-N 391.479 2.784 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCCN5)ncc4C3)ccc2O1 19497964 DTBKCMZUXJFLSG-LIRRHRJNSA-N 378.476 2.813 0 40 GFAB Cc1cc(C)n(Cc2c(C(=O)NCCc3nc4ccccc4n3C)noc2C)n1 19574348 LCVUYDKUAWKFOB-UHFFFAOYSA-N 392.463 2.704 0 40 GFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CC2)C1 19578777 CDCDFDFPHOZRIC-HSZRJFAPSA-N 392.503 2.793 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCCN4C)n3CC1)CCCC2 19706341 HNHADABCQRLNRU-INIZCTEOSA-N 383.496 2.524 0 40 GFAB CN1CCCCC[C@@H]2N(S(=O)(=O)N(C)C)[C@H](Cc3ccccc3)C[C@@]21C 19711728 ICSHRDFZMJZONF-AABGKKOBSA-N 379.570 2.743 0 40 GFAB Cc1nc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)N(C)C 19763116 FUJFFGLGPTXASW-MRXNPFEDSA-N 386.471 2.884 0 40 GFAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)NCc1ccco1)S2 20060451 FSYJPUATBIABCF-LSDHHAIUSA-N 389.868 2.908 0 40 GFAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(C)CC3)c(O)n2n1 22465877 PCWZLOBSDPMDJZ-AWEZNQCLSA-N 377.901 2.795 0 40 GFAB Cc1cccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 22467408 YYOCCHVXHIIFGM-FQEVSTJZSA-N 398.503 2.590 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COc2ccc(C)cc2)c(N2CCOCC2)c1 22636692 YPZCBDMCWQZTBN-UHFFFAOYSA-N 383.448 2.808 0 40 GFAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccnn1C1CCCC1 22775933 FNIDCWQBCMHPLK-UHFFFAOYSA-N 397.523 2.633 0 40 GFAB CC(C)CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908129 HNMVRRYFKVKOKJ-SFHVURJKSA-N 385.533 2.736 0 40 GFAB Cn1c(-c2ccccc2)cn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1=S 27530452 KYMHQRFMYIJEGY-INIZCTEOSA-N 377.535 2.832 0 40 GFAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 29430942 DNDIWCVSTZIHKJ-QGZVFWFLSA-N 396.553 2.962 0 40 GFAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)C1 30442564 LNKNTHPNNUKYBI-OAHLLOKOSA-N 382.501 2.626 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 32089017 GZLAGFXHVLQJEP-HNNXBMFYSA-N 395.850 2.971 0 40 GFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 32097340 KRTXSUOIJOTSKX-UHFFFAOYSA-N 383.429 2.620 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F 32768832 FITIOTJZBWUEEG-UHFFFAOYSA-N 381.473 2.880 0 40 GFAB COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 35485514 YTUDXEZMWMIQJL-SFTDATJTSA-N 395.503 2.879 0 40 GFAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3cccc(Cl)c3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 36408085 ILXDDQNPLLGHNZ-SSZWKKLZSA-N 383.828 2.675 0 40 GFAB Cc1c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)oc2c(Cl)cccc12 40089081 OEUKAHXKUQYSCB-UHFFFAOYSA-N 384.823 2.978 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(CS(C)(=O)=O)cc1 42051773 GERAUUQWUKTGPX-UHFFFAOYSA-N 389.473 2.665 0 40 GFAB O=C(c1ccc(Cn2cncn2)cc1)N1CCCN(Cc2ccccc2)CC1 48248797 IZPHQYUFKMTZMW-UHFFFAOYSA-N 375.476 2.675 0 40 GFAB Cc1cccc(OCCN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 48251738 MSAWGZWQOYHYNB-UHFFFAOYSA-N 377.444 2.751 0 40 GFAB Cn1ncc2c(=O)[nH]c(CSc3nnc(Cc4cccs4)n3C3CC3)nc21 48366447 AMLHSCWYXAJFEA-UHFFFAOYSA-N 399.505 2.528 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(OCC(=O)C3CC3)cc2)c1 49027509 QRIOQXQRRUDTMQ-UHFFFAOYSA-N 388.445 2.668 0 40 GFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCc1ncc(Cl)n1C 54170094 UYNWTWOIXLKQJJ-OAHLLOKOSA-N 385.798 2.850 0 40 GFAB CCCCN(C(=O)/C=C/c1c(Cl)nc2ccccn12)[C@H]1CCS(=O)(=O)C1 54816551 IMXJRRPXJGQBNH-NPQIQWPPSA-N 395.912 2.817 0 40 GFAB O=C(NCc1cccc(N2CCOC2=O)c1)[C@H]1CCCN1Cc1ccccc1 57175173 SOKMVSLYCCJPBZ-HXUWFJFHSA-N 379.460 2.924 0 40 GFAB CC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCC(O)CC1 57710603 GZSNQRPFRGGCPI-OAHLLOKOSA-N 383.418 2.993 0 40 GFAB Cc1cccc2c1N(C(=O)c1ccc(CCNS(C)(=O)=O)s1)CCC2 58218755 XXQKBPNIVNHLPT-UHFFFAOYSA-N 378.519 2.741 0 40 GFAB Cc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nnn1-c1cccc2ncccc12 66838999 NNBMDCQPLKKWKU-MRXNPFEDSA-N 390.491 2.871 0 40 GFAB CCc1nc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)sc1C 72325529 HOHZXVOBQMBJQV-INIZCTEOSA-N 398.488 2.604 0 40 GFAB biogenic Cn1cnc(S(=O)(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)c1 72350330 BZTJKVVETPUNQF-UHFFFAOYSA-N 396.516 2.974 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2cc(C)nc3c2c(C)nn3C)c1 72402547 VPSLARJDEWDFTG-UHFFFAOYSA-N 377.448 2.978 0 40 GFAB CN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 85332857 PYPWKBBWYANPHZ-KRWDZBQOSA-N 376.453 2.684 0 40 GFAB Cc1nc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)nn1-c1ccc(F)cc1 89718063 YFIJUFWETLVVKV-RTBURBONSA-N 379.439 2.890 0 40 GFAB COc1cc([C@H](C)O)cc(OC)c1OCC(=O)Nc1ccc2c(c1)OCO2 89904550 VVUYBMHREPFDLD-NSHDSACASA-N 375.377 2.503 0 40 GFAB Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)cc1 95365154 OPCKCMWZHXUFEB-UHFFFAOYSA-N 381.476 2.737 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)CCSc2ccc3c(c2)OCCO3)cc1 95417330 ZJSFJWLKHPNIFF-KRWDZBQOSA-N 389.473 2.798 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 96000036 UQZIICURWBZZEW-AWEZNQCLSA-N 385.468 2.702 0 40 GFAB COc1cccc(CN2CCC3(CC2)CCN(S(=O)(=O)C2CC2)CC3)c1 96047251 XHSYEJBJVSGJLU-UHFFFAOYSA-N 378.538 2.865 0 40 GFAB O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)Nc1cnn(-c2nccs2)c1 97238170 MYYFWXJVTIXSTN-UHFFFAOYSA-N 394.416 2.925 0 40 GFAB Cc1ncc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)cn1 100182302 NPTLZUOAARWLQM-UHFFFAOYSA-N 376.420 2.660 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 100750565 ATSPNJYHGGRMPU-KURKYZTESA-N 399.539 2.514 0 40 GFAB Cc1nnc(NC(=O)Nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)s1 100848412 WBQHAGMAWOGWHJ-GVARAGBVSA-N 395.444 2.802 0 40 GFAB O=C1CCc2cc(OCCOC(=O)c3ccccc3-n3cccn3)ccc2N1 101703545 IGZLOGNAOCUJEB-UHFFFAOYSA-N 377.400 2.993 0 40 GFAB COc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)c2c1 104900236 LPUQYEMWSNNJJH-GJZGRUSLSA-N 377.444 2.906 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OC)c1 106765719 ADIXQPGMRAXQOK-YBEGLDIGSA-N 390.461 2.753 0 40 GFAB CC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 113937290 KVKQEDUFDZCSEB-CQSZACIVSA-N 394.468 2.944 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113957247 RERDIPOHCNGXQR-KBPBESRZSA-N 394.468 2.866 0 40 GFAB CCNC(=O)CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 223398326 KEQPWHXPCFODBQ-UHFFFAOYSA-N 378.519 2.736 0 40 GFAB CCCC[C@H](CC)CNC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224160035 YONYAWLPOTWYTO-HNNXBMFYSA-N 398.525 2.904 0 40 GFAB O=C(NCCCCO)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306132900 LVRFUWHMOZMFDH-UHFFFAOYSA-N 389.459 2.748 0 40 GFAB CCn1cc(-c2noc(CNC(=O)Cc3cccc(C(F)(F)F)c3)n2)cn1 390831391 ROCBNDZKBZYDBX-UHFFFAOYSA-N 379.342 2.831 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408591370 LQCFDKVGNGIHHV-HNNXBMFYSA-N 382.526 2.837 0 40 GFAB Cc1nc(O)cc(-c2ccc(NC(=O)N[C@](C)(CO)c3ccc(O)cc3)cc2)n1 564136118 LQMQQKXPTAKTKU-OAQYLSRUSA-N 394.431 2.892 0 40 GFAB CN(CC1(c2ccccc2)CC1)C(=O)c1nnn([C@H]2CCNC2)c1C(F)F 638299667 PBUKOQFKKDKLBX-AWEZNQCLSA-N 375.423 2.554 0 40 GFAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](N2CC[C@H](O)C2)C1 647707247 ZMDLUCNUWRBXPU-STQMWFEESA-N 397.953 2.735 0 40 GFAB CCO[C@H]1C[C@@H]1c1nnc(N2CCN(c3cccc4[nH]ccc34)CC2)n1CC 1554072009 RKVXEFALDGLNND-LPHOPBHVSA-N 380.496 2.998 0 40 GFAB CC(C)CNC(=O)c1cc2c(CNC(=O)CCc3ccc[nH]3)nn(C)c2s1 1565548087 XITPQICRMPRQSW-UHFFFAOYSA-N 387.509 2.598 0 40 GFAB CN(C(=O)c1csc(-c2ccoc2)n1)[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 1615611009 IDCFOTDXRCWPEI-CQSZACIVSA-N 399.476 2.513 0 40 GFAB CC(C)(Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(N)=O)C1)c1cccs1 1706192306 HTHSMFSVJJVOMD-HNNXBMFYSA-N 396.520 2.691 0 40 GFAB CCc1ncnc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)c1F 1775968108 PVOXXYLTAPCTBG-UHFFFAOYSA-N 396.474 2.600 0 40 GFAB O=C(c1cncc(F)c1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888844338 IQQHMXCIHWNAOD-STQMWFEESA-N 380.345 2.843 0 40 GFAB C[C@H](C(=O)Nc1nc(-c2ccccn2)cs1)n1nc(C(F)(F)F)ccc1=O 1888930691 RXOJTOZPMZYGEN-SECBINFHSA-N 395.366 2.980 0 40 GFAB COc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCc4cccnc4)[C@@H]3C2)c1 2055718380 MFCDMEMGOFOEFC-BHIFYINESA-N 395.503 2.634 0 40 GFAB Clc1ccccc1N1CCN(c2ncnc3c2ncn3C[C@@H]2CCCO2)CC1 2298101778 YRWZHORHGSKZPA-HNNXBMFYSA-N 398.898 2.985 0 40 GFAB COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC 815302 NIJGMEXJBBRTIX-UHFFFAOYSA-N 376.363 2.923 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(OC)ccc2ccccc12 2683810 QUPNSDNSFRPLNT-GOSISDBHSA-N 386.473 2.831 0 40 GFAB CCCC1(CCC)NC(=O)N(CC(=O)/N=c2/sc3ccccc3n2C)C1=O 104991246 NJCJNTMWYDONBE-CZIZESTLSA-N 388.493 2.558 0 40 GFAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(O)nn1 23731602 QVXMEHZHEUAXPZ-UHFFFAOYSA-N 389.459 2.757 0 40 GFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2cc(C)ccc2OC)c1 24325333 NSRMCYBFCKRXSH-UHFFFAOYSA-N 396.896 2.837 0 40 GFAB CS(=O)(=O)c1cccc(OCC(=O)N2CCCSc3ccccc32)c1 55010469 HNKZVPCAJCKPGX-UHFFFAOYSA-N 377.487 2.998 0 40 GFAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2NS(C)(=O)=O)c1 10112319 OUHLOQFBRLUFCL-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB COC(=O)c1ccc(CNC(=O)COC(=O)/C=C/c2ccccc2Cl)cc1 3266752 MNOZFTJSBLKSGH-ZHACJKMWSA-N 387.819 2.999 0 40 GFAB Cc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1-n1cnnn1 25147864 ZOKCFZDCSURLCD-UHFFFAOYSA-N 379.424 2.753 0 40 GFAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 3291855 RGXBPVJXVXGHSG-UHFFFAOYSA-N 393.443 2.907 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN(C)C)cc2C)cc1 10315157 IVBLPJZNQAQEIA-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB Cc1ccnc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c1 56009839 KVUVPIOSYHIGRG-UHFFFAOYSA-N 383.267 2.706 0 40 GFAB COc1ccc(Cl)cc1CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 25818891 UBEFHTUTJPIYCY-HNNXBMFYSA-N 397.880 2.700 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc2c1OCCO2 57118599 GSZPRGCRTGCOOQ-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)c1 52412374 GUSNFNIODCWAIZ-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1ccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)cc1OC 57526570 CNFLLCVQRYWTOA-UHFFFAOYSA-N 393.443 2.552 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCC(=O)c1ccc[nH]1 9840060 FKFXXEAHQXYYHH-UHFFFAOYSA-N 398.440 2.880 0 40 GFAB CCOC(=O)c1cc2cc(NC(=O)NCC(=O)N3CCCC3)ccc2s1 57996770 CNIJEPSJPKYKFM-UHFFFAOYSA-N 375.450 2.822 0 40 GFAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 12741002 LBYZDGRHUSPLCR-UHFFFAOYSA-N 395.289 2.583 0 40 GFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 36359895 DVMRWNQSZGXWPO-KRWDZBQOSA-N 396.443 2.541 0 40 GFAB COc1ccccc1OCCNC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 12898906 OYRIFRXBGIWUOA-UHFFFAOYSA-N 383.400 2.553 0 40 GFAB biogenic COc1cccc(NC(=O)CC[C@H]2N=C(O)N(CCc3ccccc3)C2=O)c1 36594826 NCLXVVUSGODGOK-GOSISDBHSA-N 381.432 2.781 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1cc2ccccc2o1 12807106 SZZQAAIOSYZNTO-RHSMWYFYSA-N 391.427 2.773 0 40 GFAB CCOc1cc(C(=O)NCCCN2CCCC2=O)cc(Br)c1OC 3413654 FBQPXNQPZNPENH-UHFFFAOYSA-N 399.285 2.599 0 40 GFAB Cc1cc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(C)n1 12016848 GLBKGWZXPNCESW-UHFFFAOYSA-N 383.477 2.622 0 40 GFAB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1Cc1ccc2c(c1)OCO2 3542986 QFYVYXJAANOUOD-UHFFFAOYSA-N 385.449 2.557 0 40 GFAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc2c(c1)OCO2 4082527 LGONBBKGJJYKKI-UHFFFAOYSA-N 381.392 2.928 0 40 GFAB CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1N 4295383 WDHHFXIKDIICFA-UHFFFAOYSA-N 376.420 2.958 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 39995453 PJXURFGAOAGSRQ-GOSISDBHSA-N 385.855 2.648 0 40 GFAB COc1ccccc1C1=NN(c2nc(C(=O)O)cs2)[C@@](O)(C(F)(F)F)C1 5243241 FHYDXBRIFGNLFK-AWEZNQCLSA-N 387.339 2.715 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 5342272 WGOYHQNIKLMSKE-PXNSSMCTSA-N 393.487 2.677 0 40 GFAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 14182364 URERDKHDMRODAY-KRWDZBQOSA-N 377.444 2.566 0 40 GFAB CCOc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@@](O)(C(F)(F)F)C2)cc1 4942630 AAVPYLZVYSTNFJ-INIZCTEOSA-N 381.358 2.631 0 40 GFAB O=C(COc1cc(=O)n2ccccc2n1)N1CCC(Cc2ccccc2)CC1 23141312 ZGOUMPZEXWHAHS-UHFFFAOYSA-N 377.444 2.555 0 40 GFAB C[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)NCc1ccc2c(c1)OCO2 5986462 ZTVCFPKAEQQVJQ-LLVKDONJSA-N 395.444 2.736 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 7505219 PHURDTHZNPLFHD-UHFFFAOYSA-N 375.406 2.615 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 7988423 FAKITVKFTMFCKC-CQSZACIVSA-N 398.488 2.824 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@@H](c1ccccc1)N(C)C)C2=O 16599568 XSCZJTOKZUXIPZ-FQEVSTJZSA-N 393.487 2.790 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCC2=CCCCC2)cc1 8071269 PERNZHIYIBVSDD-UHFFFAOYSA-N 380.510 2.760 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)C[C@]3(C(=O)O)CCSC3)cc2F)C[C@@H](C)O1 71846847 IODVYTRKSYWVOX-QHRIQVFBSA-N 396.484 2.976 0 40 GFAB CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(CN2CCCC2=O)c1 69350459 CKLVMALKFAKQSF-PBHICJAKSA-N 389.521 2.695 0 40 GFAB CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 20768422 BHOBMERMAPMQGW-UHFFFAOYSA-N 376.478 2.574 0 40 GFAB CC[C@H](C(=O)Nc1nc2ccccc2s1)n1c(=O)[nH]c2ccccc2c1=O 17045802 NKMOXTLAMXPZKF-CQSZACIVSA-N 380.429 2.889 0 40 GFAB CCN(CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccc(F)c1 17307000 HKAKUMMJVHNOPN-UHFFFAOYSA-N 375.469 2.864 0 40 GFAB Cc1cc(C)c(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 17317417 BKIFQLDAOHNQMB-UHFFFAOYSA-N 388.533 2.923 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N2CCC(c3nnc4ccccn34)CC2)cc1 70754722 OLDXWTRQHKUUQC-HNNXBMFYSA-N 379.464 2.945 0 40 GFAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 8890303 MSCQQMYJPZEHTK-QFIPXVFZSA-N 391.427 2.611 0 40 GFAB O=C1CC[C@@H](C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)CN1 96998468 LABYKBIWSHBOHW-GFCCVEGCSA-N 377.238 2.852 0 40 GFAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)CC1 98026406 XWPTXQYBDUAUJF-OAQYLSRUSA-N 394.519 2.897 0 40 GFAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 98181756 AUTCQXVTOIJYOT-GZKBPPOVSA-N 399.488 2.557 0 40 GFAB in-vitro COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 409387329 ABEMBUWLLWLZBH-KRWDZBQOSA-N 394.537 2.807 0 40 GFAB CC(C)N1C[C@H](Nc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1=O 89936789 NPGYZSSTAONNLL-BZUAXINKSA-N 383.496 2.665 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(NC(C)=O)cc1 22278758 APMYHJAJHGRGMT-UHFFFAOYSA-N 376.434 2.585 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 409377043 FNIRMQPAVDKWAM-LBPRGKRZSA-N 382.869 2.504 0 40 GFAB Cc1cccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 22327250 DNOMPONIORSQDG-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB COc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1 408619166 MSRSEWHRXGVFNR-UHFFFAOYSA-N 392.521 2.546 0 40 GFAB Cc1cccc(N(C)C(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c1 67235190 YIFDXNKYFZJATB-UHFFFAOYSA-N 387.443 2.838 0 40 GFAB Cc1cnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nc1-c1ccccc1F 519004294 OHZSPUNVOBFOAL-HNNXBMFYSA-N 392.500 2.699 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 6357719 IWSBBCFFUAOWSK-ZMZPIMSZSA-N 387.432 2.584 0 40 GFAB biogenic CN1CCC(CCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 120133895 POSRJVOANXQNGA-UHFFFAOYSA-N 375.332 2.600 0 40 GFAB CC[C@@H](NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O)c1ccccc1 216427253 DXTXDFXFWSCYTD-LJQANCHMSA-N 388.489 2.923 0 40 GFAB O=C([C@H](c1ccccc1)N1CCSCC1)N1CCN[C@@H](c2ccccc2)C1 1557032846 KUXXYMYRBKLMSV-RTWAWAEBSA-N 381.545 2.950 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)c2c[nH]nc2C2CC2)CC1 568115291 APEGCLRLVLXESG-UHFFFAOYSA-N 394.435 2.510 0 40 GFAB CN1CCc2nnc([C@@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)n2CC1 72370945 NLGNGJCSZHVKDC-MRXNPFEDSA-N 399.514 2.589 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)N2CCC[C@H](C)C2)cc(OC)c1OC 32859687 ANCHCGAJHRXQCB-NPQIQWPPSA-N 377.437 2.527 0 40 GFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 562439666 BAADZSYXXSMJAC-RDJZCZTQSA-N 379.464 2.619 0 40 GFAB O=C1C[C@@H](c2ccccc2OCC(=O)Nc2ccccc2Cl)N2N=CNC2=N1 38182815 SJPDTHGDZMWZEG-HNNXBMFYSA-N 397.822 2.533 0 40 GFAB O=C(c1nccs1)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 72334830 GHQCHLZIISQEQA-OAHLLOKOSA-N 389.521 2.746 0 40 GFAB CC(C)Oc1ccc(CCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 219017914 KGEMKWJIMQOPKH-BGYRXZFFSA-N 398.503 2.864 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 49030491 XFZBFGPEPQQSBU-UHFFFAOYSA-N 390.871 2.881 0 40 GFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccccc1C 223281929 ZKTIGEBLYUJTDJ-IBGZPJMESA-N 390.505 2.892 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c1 49889932 JRHWEEQMIQZOOS-UHFFFAOYSA-N 389.477 2.521 0 40 GFAB CNC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421045 OZVDLHKSHTUUKR-UHFFFAOYSA-N 386.452 2.753 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 222685546 RSOPWPNKCKQKSZ-ZDUSSCGKSA-N 392.477 2.591 0 40 GFAB COc1ccc(/C=C/C(=O)NCCNc2cc(-n3cccc3)ncn2)cc1OC 77101390 BRBXAVLALXOCKS-SOFGYWHQSA-N 393.447 2.526 0 40 GFAB COc1ccccc1N(CC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222844707 RQFDSCKGKRCDBS-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224951912 DQCQSFCCTSSACP-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccccc1F 224752775 KBYCQPLWEMDJRE-UHFFFAOYSA-N 396.459 2.870 0 40 GFAB O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cccs2)CC12CCOCC2 96241150 MKHYPPVMPQHSFS-OAHLLOKOSA-N 390.530 2.995 0 40 GFAB Nc1csc(CC(=O)Nc2ccc(CCNC[C@@H](O)c3ccccc3)cc2)n1 521205716 BZSURCHRZIYBHU-GOSISDBHSA-N 396.516 2.772 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242722780 XUSSLGPJXZAMDG-LMMKCTJWSA-N 378.421 2.791 0 40 GFAB Cn1ccnc1-c1cnc(C[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)cn1 257228862 FVOSNCWGHLXBAN-ZDUSSCGKSA-N 383.402 2.860 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 253600724 XIQNBFWWRVWDLR-FWVWUXMJSA-N 394.475 2.930 0 40 GFAB CC(=O)NCC[C@H]1CCCN(C(=O)c2ncccc2-c2cccc(CN)c2)C1 257255718 KIPFYFXPXMWVCA-QGZVFWFLSA-N 380.492 2.586 0 40 GFAB Cc1csc(-c2cccc(CC3CCN(S(=O)(=O)N(C)C)CC3)n2)n1 257322529 WGIVVNHRKDXAGT-UHFFFAOYSA-N 380.539 2.574 0 40 GFAB Cn1ncc(NC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1C(F)F 685085142 CYKBZULYGRAMBA-SFHVURJKSA-N 382.386 2.956 0 40 GFAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2n[nH]c4c2CCC4)C3)n1 575403813 OSEJIDADDDBOGR-HNNXBMFYSA-N 384.505 2.519 0 40 GFAB O=C(CCc1cccnc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111463 AZOHGYOQQUOPAR-HXUWFJFHSA-N 376.460 2.689 0 40 GFAB CCCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393186 XZLZMYKQIVFDDS-SFHVURJKSA-N 390.491 2.954 0 40 GFAB COc1ccc(Br)c(S(=O)(=O)NC(=O)C2(C(C)(F)F)CC2)c1 1327457252 JRGWTNZZHUTJBX-UHFFFAOYSA-N 398.225 2.698 0 40 GFAB COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 95443818 RSTSYSYZBXXPLF-HKUYNNGSSA-N 391.493 2.581 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)c3cc(F)ccc3F)C2)Oc2ccccc21 96367568 NSIPHGFPTVICCL-SFHVURJKSA-N 379.384 2.763 0 40 GFAB O=S(=O)(C1CC1)N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 558861331 UWFPTYSGFBHTKT-UHFFFAOYSA-N 377.535 2.810 0 40 GFAB COc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 1548338331 KXJJQPUNWCMMTG-SSDOTTSWSA-N 397.218 2.637 0 40 GFAB CC[C@@H]1CN(C(=O)Cc2cccs2)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772594945 JEYUEDFTXGNBJH-DJIMGWMZSA-N 386.508 2.867 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 11513304 SHYOOIPAECWUSK-JXFKEZNVSA-N 394.471 2.850 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCC[C@@H](C)C1 13674990 FDIHSENNSULSHE-MRXNPFEDSA-N 394.537 2.988 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 15630121 XQNLWJUNFWNUAX-UHFFFAOYSA-N 377.422 2.849 0 40 GFAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NC1CCCC1 16479104 VUFHHFGKGIDSSR-UHFFFAOYSA-N 386.517 2.979 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3N3CCCN23)cc1 19169569 SCRCIPFKSPGKPH-QYZOEREBSA-N 397.862 2.884 0 40 GFAB COc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1 12188437 OVSUEBBKLDVLPJ-NRFANRHFSA-N 386.467 2.995 0 40 GFAB CN(C)C(=O)[C@H]1CN(CC2CCCCC2)C[C@@]12CCc1ccccc1C(=O)N2 19581033 BEGFOSLXEOPDGQ-OFNKIYASSA-N 383.536 2.702 0 40 GFAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 4436883 JBSCETREPBQTIT-JTQLQIEISA-N 378.331 2.571 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H]2C(=O)N[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 248266115 DVKNLPLLTBOOFE-SGXKBVARSA-N 394.427 2.830 0 40 GFAB Cc1cccc(CN2CCC[C@@]3(CCCN(C(=O)c4cc(C)nn4C)C3)C2)n1 2056224184 GGHUTHQNSIOSSB-JOCHJYFZSA-N 381.524 2.950 0 40 GFAB CCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)c1csnn1)CC2 1565553646 AVSGTPZGXXKOSA-UHFFFAOYSA-N 381.461 2.635 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCCN([C@H]2CCSC2)CC1 1565522643 MJSJOJMWRBOKIE-INIZCTEOSA-N 384.567 2.514 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1 4855180 GZWCRDZJMHUWFZ-UHFFFAOYSA-N 383.477 2.631 0 40 GFAB Cn1cc(C(=O)NC2CCCCCC2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9821194 YODZDSMPZFWFTN-UHFFFAOYSA-N 394.475 2.529 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1cccn1C)N1CCCC1 11846968 BMHNGZWQSHZYGT-MRXNPFEDSA-N 397.928 2.803 0 40 GFAB COc1ccc(CCS(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 13849934 UFLKFJMRWBZQSQ-UHFFFAOYSA-N 388.489 2.501 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775968368 DFEDTEJESBBNIV-CQSZACIVSA-N 386.429 2.805 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)COc1cc(=O)n2ccccc2n1 23141318 MGLMJLPZSCMVKL-UHFFFAOYSA-N 375.787 2.524 0 40 GFAB O=S(=O)(Cc1ccccc1F)NC[C@](O)(c1ccccc1)C1CCOCC1 575610827 BSBOAEMXQHRPBP-FQEVSTJZSA-N 393.480 2.560 0 40 GFAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1 31818348 FYNFNMCOIWZEBU-CYBMUJFWSA-N 379.376 2.587 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102431224 BZKXFWQVZAFDQX-BETUJISGSA-N 376.840 2.937 0 40 GFAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1OC 32810966 WNSQFGOHIAOQSY-RYUDHWBXSA-N 385.420 2.862 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1cnc4c(c1)c(C)nn4C)(C3)C2 32899793 LDTKXRYVPLQXJP-XFKLWTPLSA-N 381.480 2.690 0 40 GFAB COc1ccc(NC(=O)[C@@H](NC2CCN(C(C)=O)CC2)c2ccccc2)cc1 32853644 PAKSJXIZPFJFPQ-NRFANRHFSA-N 381.476 2.976 0 40 GFAB Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1 32863003 CWNXKENZXGWJID-HNNXBMFYSA-N 375.494 2.853 0 40 GFAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC 638844 XYIHGRKFGGFWPL-OVCLIPMQSA-N 386.379 2.944 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccccc2)cc1 654079 BUQJMKFPNNATHW-UHFFFAOYSA-N 388.489 2.949 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCCCC1 1330933 ARMZGGGDVWFHEA-UHFFFAOYSA-N 385.855 2.638 0 40 GFAB CC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378135 SPLCIUILDSIUJU-UHFFFAOYSA-N 378.428 2.891 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 1985827 CTBGFVMJAZJBPZ-SFHVURJKSA-N 380.444 2.834 0 40 GFAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2091281 FHCUTHSQKVXCFP-ZXFNITATSA-N 392.249 2.689 0 40 GFAB biogenic COc1ccc(OC)c(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)c1 2265402 OOOUYPCEZZQFBJ-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB O=C(NC1CCCCC1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007612 SGUCOXPAVIKOBH-UHFFFAOYSA-N 381.476 2.895 0 40 GFAB COC(=O)c1c(NC(=O)CSc2nnc(C)s2)sc(C(C)=O)c1C 4168712 CQSHQWVWQIKUIW-UHFFFAOYSA-N 385.492 2.936 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)ccc1C 4815368 WNIMETZEHVBLIZ-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB COc1ccc(CCNCc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 5324435 IDNVCJZCWJIFGP-UHFFFAOYSA-N 378.856 2.554 0 40 GFAB CCOC(=O)[C@](NC(=O)Nc1cc(C)on1)(OCC(F)(F)F)C(F)(F)F 5717664 CISRTTKDDOSMJF-NSHDSACASA-N 393.240 2.505 0 40 GFAB Cc1cc(OCC(=O)NC[C@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 6659003 LBPLHWNWJSUZBF-SFHVURJKSA-N 393.439 2.819 0 40 GFAB Cc1sc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1 6679681 BSHLTTBHBQWWNP-UHFFFAOYSA-N 394.474 2.792 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 7361306 ULUZWASXEAJYGZ-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 7418937 CQQFWYPOMOYMAN-UHFFFAOYSA-N 377.326 2.844 0 40 GFAB COc1ccccc1CNC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 7798756 ZHMYPFFALQWHEU-UHFFFAOYSA-N 379.445 2.923 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)c2cccc(OC)c2)CC1=O 7881529 SQZGFOUJQGNIPF-MRXNPFEDSA-N 397.427 2.873 0 40 GFAB Cc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)s1 7989167 XFPJRMKIVFEZSE-UHFFFAOYSA-N 375.475 2.864 0 40 GFAB CCCCNC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996211 PVZAJRIPSPFKBM-UHFFFAOYSA-N 385.464 2.586 0 40 GFAB CCC(CC)NC(=O)CSc1nnc(N2CCCC2)n1Cc1ccco1 8756768 PAJMYDIWZTXQKP-UHFFFAOYSA-N 377.514 2.917 0 40 GFAB CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 8944655 KVYUCMWGQZPVTG-HNNXBMFYSA-N 395.506 2.805 0 40 GFAB C[C@H](Nc1ccc2c(c1)NC(=O)CS2)C(=O)N1CC(=O)Nc2ccccc21 9220485 YYJHNFRTXOWGTN-NSHDSACASA-N 382.445 2.517 0 40 GFAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 9245563 KOPUBCXGUQCGQS-QFIPXVFZSA-N 377.444 2.874 0 40 GFAB COc1ccc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)cc1 9573558 ZWXKQZDMBCLLLN-UHFFFAOYSA-N 376.420 2.972 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 10748664 SCVPTWUXUIPAKN-UHFFFAOYSA-N 392.814 2.890 0 40 GFAB COc1ccccc1C[C@@H](C)NC(=O)c1sc(N2CCOCC2)nc1C 12197007 PXWFWVSOPBRBHP-CYBMUJFWSA-N 375.494 2.658 0 40 GFAB CCN(C(=O)[C@@H](C)Sc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 12537860 UTUCXCQLGVICGB-HIFRSBDPSA-N 378.519 2.751 0 40 GFAB C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1cccc(Cl)c1 12750887 GEDFIRQERSJYAM-LBPRGKRZSA-N 391.880 2.646 0 40 GFAB Cc1cccc(-n2nnnc2SC[C@H]2CN(Cc3ccccc3)CCO2)c1 12796448 VRZKVRXOUPIHQY-LJQANCHMSA-N 381.505 2.964 0 40 GFAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(C(C)C)n1 12890789 IKGXTWCMISGPCS-UHFFFAOYSA-N 378.473 2.558 0 40 GFAB CCc1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 12913674 FUDCFEGEOQMQDS-SFHVURJKSA-N 389.521 2.694 0 40 GFAB O=C(NCc1nc(-c2ccsc2)no1)N[C@H](CCc1ccccc1)C(=O)O 13239584 HJROBNFZQLGANX-CQSZACIVSA-N 386.433 2.683 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H]3CC(=O)c4ccccc4O3)C2)c(F)c1 13267263 MHFFWFZDGPPRAR-XOBRGWDASA-N 396.418 2.811 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 14239007 ZYUXACHZJHEYAU-HXUWFJFHSA-N 394.427 2.596 0 40 GFAB C[C@H](NC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccccc1 15843080 FCPQYCUQOCGJOM-AWEZNQCLSA-N 386.473 2.880 0 40 GFAB CCc1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 16733875 DNEJOCDEYNQOLW-AUUUKSDWSA-N 391.452 2.774 0 40 GFAB O=c1cc([C@H]2CCCN(Cc3cccc(F)c3F)C2)nc(-c2cnccn2)[nH]1 19292729 HNXVKPWXSKOVAW-ZDUSSCGKSA-N 383.402 2.885 0 40 GFAB Cc1nn(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C 19557107 SALMJRJVUCBAFB-HXUWFJFHSA-N 396.539 2.730 0 40 GFAB CCc1nccn1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 19712799 PTXHDUPGBOLHRL-SVMVAKDDSA-N 398.482 2.638 0 40 GFAB CCc1cc2c(=O)n(CC(=O)Nc3cccc(-n4cccn4)c3)cnc2s1 19714922 FKDKHAJEZALEMO-UHFFFAOYSA-N 379.445 2.845 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 19900205 FXVOUVNRUAGMGS-UHFFFAOYSA-N 381.476 2.911 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(F)ccc1C 20015970 YLCARZOJQXJWEB-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 20761053 URZGJPDCZKLXGE-GOSISDBHSA-N 377.404 2.771 0 40 GFAB biogenic COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 20763283 ZHDZNVSTKXZYNA-SFHVURJKSA-N 377.404 2.771 0 40 GFAB biogenic CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1 22227267 LOIWNCWNDJIDTB-UHFFFAOYSA-N 396.459 2.968 0 40 GFAB O=C(NC1CC1)[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 22265540 JMDKZOIZIKTHEO-KRWDZBQOSA-N 389.381 2.858 0 40 GFAB COc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 22332413 WZZLTQMJLNLODV-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCC[C@@H]2CCCC[C@@H]21 22803815 PEVHDGBCKAYQGX-UNMCSNQZSA-N 397.563 2.920 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1cc(F)cc(F)c1 22930586 SFGGOUDRVRPDPT-UHFFFAOYSA-N 387.430 2.656 0 40 GFAB O=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc2c(c1)OCCO2 23238649 UKDIQAMNZGQNOK-UHFFFAOYSA-N 395.502 2.546 0 40 GFAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCO1 24227320 PKFJITZERJPVOU-VIFPVBQESA-N 384.679 2.568 0 40 GFAB COc1ccccc1COC[C@@H](O)Cn1c(=O)c2ccccc2n2nc(C)cc12 24834806 QXIDOSKKSZCRBO-KRWDZBQOSA-N 393.443 2.544 0 40 GFAB CC[C@H](Sc1nnc(N(C(C)=O)C2CC2)s1)C(=O)Nc1cc(C)on1 25180923 WTUUVSPGVGWKPW-NSHDSACASA-N 381.483 2.859 0 40 GFAB Cc1ccc(NC(=O)[C@@H](OC(=O)CCN2C(=O)CCC2=O)c2ccccc2)cc1 29895334 DLRCADYDMZSRIC-NRFANRHFSA-N 394.427 2.757 0 40 GFAB CCCC[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cc(C)on1 32895856 MJGRUQBBIUDETO-OAHLLOKOSA-N 394.449 2.741 0 40 GFAB Cc1oc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 38489351 GYIBDUXFEYRBRR-TXEJJXNPSA-N 396.440 2.777 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N1CCCCCC1 40018253 WBFXHFUPVIYVDU-UHFFFAOYSA-N 397.441 2.866 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(OCc2cccnc2)cc1 40154641 MZAYPVZYRZUCJP-HNNXBMFYSA-N 379.416 2.688 0 40 GFAB CCOC(=O)N1CCC(OC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 41900257 RRKXBIJJIMVJIL-LLVKDONJSA-N 378.450 2.897 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc2[nH]ccc2c1 44918174 XFLLWMMIXMEUCF-UHFFFAOYSA-N 377.448 2.638 0 40 GFAB CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2S1(=O)=O 48374375 DXVMQBOZUHSXGR-KRWDZBQOSA-N 398.484 2.698 0 40 GFAB C[C@H]1CN(Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)C[C@H](C)O1 48374673 CQYUHNDCLJUTLO-GJZGRUSLSA-N 380.535 2.836 0 40 GFAB O=C(NCCc1c[nH]c2cc(F)ccc12)NCc1ccc(-n2cccn2)nc1 51268363 NREBZPKPNCHLQF-UHFFFAOYSA-N 378.411 2.930 0 40 GFAB COc1ccc(CC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC 58172891 PBBRRCQSJTVHOZ-UHFFFAOYSA-N 378.469 2.716 0 40 GFAB Cn1ccnc1[C@@](O)(CC(=O)N1CCC(c2ccc(O)cc2)CC1)C(F)(F)F 58430060 FDEMZLWFWFOUOZ-SFHVURJKSA-N 397.397 2.672 0 40 GFAB CC(C)N1C(=O)CN(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O 58434811 PGLRUKDRJIMHRN-UHFFFAOYSA-N 380.492 2.588 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CCOc2cccc(C(=O)OC)c2)C1=O 60086090 OTUSWLSZMFGVAZ-NRFANRHFSA-N 382.416 2.709 0 40 GFAB CCc1ccc([C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C(C)C)cc1 60160729 PCDJNWLFPIXICY-IBGZPJMESA-N 385.493 2.900 0 40 GFAB O=C(NCCc1cccc(F)c1)c1cc(Br)ccc1-n1cnnn1 61720763 VSYWSKOTEWSRRJ-UHFFFAOYSA-N 390.216 2.536 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 66344332 BYQXMJFFQMJEPC-CQSZACIVSA-N 391.468 2.877 0 40 GFAB CNC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 66747348 MRISMGFNRLECKN-QFIPXVFZSA-N 377.444 2.502 0 40 GFAB O=C([C@@H]1CCCCN1C(=O)CCc1nc(-c2cccs2)no1)N1CCCC1 69982087 PMKVWRZHKMQWLI-AWEZNQCLSA-N 388.493 2.734 0 40 GFAB CCN(CC)C(=O)c1sc2[nH]c(=O)n(CCc3ccccc3)c(=O)c2c1C 71328587 VAXQLSNXLGRBRB-UHFFFAOYSA-N 385.489 2.784 0 40 GFAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72349691 ADXSOKWOXKQTRC-SFHVURJKSA-N 395.503 2.795 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 77100557 XIFFOGFXCZXULJ-MRXNPFEDSA-N 392.459 2.599 0 40 GFAB Cc1c(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cnn1-c1ccccn1 78902655 WXXFAWFTTYGIPR-UHFFFAOYSA-N 397.460 2.725 0 40 GFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCCC1OCCCO1 79064903 OGWDFKUDAOSROP-UHFFFAOYSA-N 397.427 2.912 0 40 GFAB Cn1cc(-c2ncc(C(=O)Nc3ccc(-n4ccc(C(=O)O)n4)cc3)s2)cn1 95425271 HNQMCCCIIHZNSK-UHFFFAOYSA-N 394.416 2.680 0 40 GFAB C[C@@](O)(CNS(=O)(=O)N1CCCCC1)C(c1ccccc1)c1ccccc1 95461896 PXMUQLXLJZNBNJ-OAQYLSRUSA-N 388.533 2.890 0 40 GFAB Cc1c(Cl)cc(S(=O)(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)cc1Cl 95943739 AAXUIPOZJQIXRD-HNNXBMFYSA-N 398.308 2.673 0 40 GFAB CC(C)c1nc(CN2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cs1 96000014 UGMQNUJEQLHNGH-GFCCVEGCSA-N 383.543 2.741 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142477 FJFXHNQAKPMATH-GJZGRUSLSA-N 384.407 2.647 0 40 GFAB CC(C)N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)NC2(c4cccc(F)c4)CCCC2)[C@@H]3C1=O 100164268 RISPHMWWMLWOKF-PABYOWBDSA-N 398.478 2.902 0 40 GFAB Cn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cccc(F)c21 100893797 NYCWAWQEMRMOFV-VZCXRCSSSA-N 383.404 2.773 0 40 GFAB O=c1cccc2n1[C@H]1C[C@H](C2)CN(c2ncnc3c2cnn3-c2ccccc2)C1 102795587 IEIIYCMBZLHUFW-YJBOKZPZSA-N 384.443 2.601 0 40 GFAB CCOC(=O)CN1CCC[C@@H](OC(=O)[C@H](C)Oc2ccc(SC)cc2)C1 107067779 MVQFRZHPBMEPSX-GOEBONIOSA-N 381.494 2.747 0 40 GFAB O=C(c1cnn2c1CCCC2)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 126635086 MHTLXQSUROZDIY-UHFFFAOYSA-N 390.846 2.610 0 40 GFAB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(=O)Nc3ccccc3Cl)cc12 217435195 LUKMHQPPRHLYFB-UHFFFAOYSA-N 390.848 2.902 0 40 GFAB COc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220327752 ATKVCRRONCKTNB-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB COC(=O)c1cn(C(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c2ccccc12 222602195 GMQWISUPLWUTLE-UHFFFAOYSA-N 386.429 2.796 0 40 GFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccccc1C 223281877 ZKTIGEBLYUJTDJ-LJQANCHMSA-N 390.505 2.892 0 40 GFAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)n1-c1cccnc1 223610987 VEPSYNJNVIBZDW-PMACEKPBSA-N 393.516 2.931 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)cc1 223667789 CYAJKZTTZDWEBD-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)NCCN1Cc2cc(Cl)ccc2OCC1=O 225772445 FVSRXRWGSNFVMH-UHFFFAOYSA-N 397.862 2.901 0 40 GFAB COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1Cn1cncn1 257208916 BOBLOUDFWTWJIB-UYWIDEMCSA-N 384.480 2.860 0 40 GFAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c(O)c1 257271284 MXRLSJCNJOLNAF-NTQHEYMJSA-N 389.492 2.782 0 40 GFAB Cc1cc(Nc2cc(C3CCN(C(=O)C4CCN(C)CC4)CC3)nc(C)n2)[nH]n1 257302598 SDNBTDRRUCTUJI-UHFFFAOYSA-N 397.527 2.608 0 40 GFAB CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 257306305 STTPRSHOYRFTAT-HSZRJFAPSA-N 397.519 2.595 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)C1 260507924 PBAFMUYSDPIZRO-RDJZCZTQSA-N 394.537 2.775 0 40 GFAB O=C(O)c1cccc(NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)n1 263389562 FVSAGJQRAFNPSB-UHFFFAOYSA-N 380.404 2.761 0 40 GFAB Cn1cc(C(=O)N2Cc3ccccc3[C@H](c3nccn3Cc3cccnc3)C2)cn1 306130790 JPLGELQEYYEOAE-OAQYLSRUSA-N 398.470 2.848 0 40 GFAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cc(-c2ccccc2)[nH]n1 390829102 CSBLCZJXRCBDGB-GFCCVEGCSA-N 390.369 2.723 0 40 GFAB CCOC(=O)C1CCC(O)(CN2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 521398252 MPDUALAIGUELHC-UHFFFAOYSA-N 394.855 2.593 0 40 GFAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(n2cnnn2)CCCCC1 524734268 OFUKFUXODQFJDK-UHFFFAOYSA-N 398.511 2.836 0 40 GFAB Cc1c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)nnn1Cc1ccncc1 556778721 NCSZCFWIPWJJIQ-UHFFFAOYSA-N 378.436 2.877 0 40 GFAB O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCO[C@H](c2ncon2)C1 575928830 RTLKIXNYVGTERI-AWEZNQCLSA-N 394.309 2.957 0 40 GFAB O=C1CN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)Cc2ccccc2N1 582736394 WLNKGDBNODBFBP-SNVBAGLBSA-N 378.354 2.514 0 40 GFAB O=C(CN1CCc2ccccc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 588145801 JAMCEEZSJUTQQP-UHFFFAOYSA-N 389.459 2.900 0 40 GFAB Cn1nc(CCNC(=O)N2CCC(CN)(c3ccccc3)CC2)c2ccccc21 1120616570 BUZXDWLDLDEYCP-UHFFFAOYSA-N 391.519 2.818 0 40 GFAB Cc1cc(OC2CN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)C2)ccn1 1889252062 QJEXQSSUPOSEKB-UHFFFAOYSA-N 385.445 2.805 0 40 GFAB CCn1ccnc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037989026 RUBGDSGJZVKOOO-NRFANRHFSA-N 386.471 2.830 0 40 GFAB COc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2298120555 SGYUXPHOROOVCQ-OAHLLOKOSA-N 395.450 2.603 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242512 DGJWRGOGYPNVQA-WOZUAGRISA-N 390.491 2.907 0 40 GFAB CCC[C@@H]1CN(C(=O)CCc2cccnc2)CCN1C(=O)CCc1cccnc1 79056229 MUXQPZUIZVDALL-OAQYLSRUSA-N 394.519 2.882 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 4477339 WPEQJRCOMTZQGZ-OYHNWAKOSA-N 377.444 2.822 0 40 GFAB COC(=O)[C@H]1C(=O)C[C@@H](c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCO2 4532598 LGIWOAOMGYWGOB-SVIJTADQSA-N 382.368 2.773 0 40 GFAB O=C1CCc2cc(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)ccc2N1 24757754 UQZGSBOYGDNCAK-UHFFFAOYSA-N 386.835 2.968 0 40 GFAB O=C(Nc1ccc(F)cc1)N[C@H]1CCCN1S(=O)(=O)c1ccccc1F 8156609 BBNRVJSTUMJWKG-MRXNPFEDSA-N 381.404 2.897 0 40 GFAB CCCCOC(=O)Cn1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O 1784753 UNRQTZIKQQXNFG-UHFFFAOYSA-N 380.466 2.923 0 40 GFAB COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)c2ccc3c(c2)CCC3)cc1 58178608 GGKSHMFTDQBQOB-QHCPKHFHSA-N 393.531 2.902 0 40 GFAB Cc1cccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080501 QFNWLIBIQGZLCD-RBUKOAKNSA-N 376.522 2.532 0 40 GFAB CCc1cc2c(C)cc(=O)oc2cc1O[C@H](C)C(=O)N[C@@H](C(=O)OC)C(C)C 2132488 VWUYCGOQLJDLPA-BFUOFWGJSA-N 389.448 2.745 0 40 GFAB biogenic COc1ccc(Oc2ncccc2NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 36393850 HIGCMTPLSKRTQZ-UHFFFAOYSA-N 399.428 2.782 0 40 GFAB O=S(=O)(Cc1ccccc1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 95399844 VCRDHRYXOGNOLA-NRFANRHFSA-N 388.533 2.552 0 40 GFAB O=C(NCc1cn2ccccc2n1)c1cn(-c2cccc(Br)c2)nn1 28875495 WTDIACFAPIVSJU-UHFFFAOYSA-N 397.236 2.608 0 40 GFAB CCn1ncc(CNC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1C 36616654 LDTCAOVCEYNHOV-UHFFFAOYSA-N 378.436 2.992 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)cc1 11458299 QQBBSIRYORWFNA-CYBMUJFWSA-N 378.384 2.915 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014405 FFFCLQNIVMMTCY-LUKYLMHMSA-N 385.851 2.868 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4F)ncn3n2)cc1C 11666405 KJEUPEXIUAUMQE-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB CCOCCOc1ccc(S(=O)(=O)Oc2cccc3c2CCC3=O)cc1 60085021 CJRFTQUTFFVTLT-UHFFFAOYSA-N 376.430 2.999 0 40 GFAB O=C(C[S@](=O)CCOc1ccccc1F)Nc1ccc2c(c1)OCCCO2 12857746 KXTRHNTXABUKJO-MHZLTWQESA-N 393.436 2.753 0 40 GFAB NC(=O)N[C@@H](CC(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1Cl 29852138 ZSRFBTWVHNMOLN-HNNXBMFYSA-N 384.827 2.659 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1 29986805 MTLYGXFJVGNOOT-UHFFFAOYSA-N 381.484 2.918 0 40 GFAB COc1cc(F)c(Oc2ccccc2)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408593478 PTYKYVKVYVIEOJ-VGOFMYFVSA-N 386.335 2.604 0 40 GFAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(CCCC)C2=O)c(OC)c1 12916596 FELSGHGLQGTCLY-IGFDDSCKSA-N 390.480 2.969 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)s1 12907084 PISIXWANERYVLQ-MRXNPFEDSA-N 378.519 2.647 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccncc2)N2NC(SCc3ccccc3F)=NC2=N1 4030399 BGGAUSZCNMCGOT-INIZCTEOSA-N 396.451 2.500 0 40 GFAB Cc1ccc(OCCNC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1 9114516 SFSAUWCCZYIPDB-UHFFFAOYSA-N 380.448 2.760 0 40 GFAB NC(=O)C1CCN(C(=O)CCn2ccc3ccc(Br)cc32)CC1 13689771 IEWDXQLQLCKVCA-UHFFFAOYSA-N 378.270 2.518 0 40 GFAB CCn1c(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)nnc1C1CC1 14085063 JJCUNLRSUIMCOR-QGZVFWFLSA-N 396.520 2.907 0 40 GFAB COc1cc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc(OC)c1 5399573 DIIKVMPHYAUCCH-UHFFFAOYSA-N 383.379 2.705 0 40 GFAB Cc1ccccc1COC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 5301438 ILZQBXYCDFMKIW-UHFFFAOYSA-N 397.460 2.606 0 40 GFAB COc1ccc(O)c(C(=O)c2cnn(S(=O)(=O)c3cc(C)ccc3C)c2)c1 14198912 SPHQCYAVDPLZTO-UHFFFAOYSA-N 386.429 2.682 0 40 GFAB COC(=O)c1cc(NC(=O)CN2CCCc3ccccc32)cc(C(=O)OC)c1 6552391 VLASDXAGDGBCKA-UHFFFAOYSA-N 382.416 2.651 0 40 GFAB Cc1cc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c(C)n1C[C@@H]1CCCO1 6648459 KSKIYQTUIPUIMB-KRWDZBQOSA-N 383.427 2.959 0 40 GFAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 9341066 NTGKUPFUZJWBAU-KRWDZBQOSA-N 385.851 2.569 0 40 GFAB COCCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 4996182 AVFFZIIOMHWMQF-UHFFFAOYSA-N 390.505 2.651 0 40 GFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 5900044 MXSZJCOMTCLHPI-NYYWCZLTSA-N 378.837 2.817 0 40 GFAB CCn1c(C)cc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1C 7425966 LPPKXVDFMGNKNY-UHFFFAOYSA-N 375.432 2.903 0 40 GFAB COCCn1cnc2ccc(NC(=O)CCc3ccc(OC)cc3)cc2c1=O 95473314 QKRMCYNCYBPIRC-UHFFFAOYSA-N 381.432 2.623 0 40 GFAB COc1ccc(Nc2nc(N(C)CCO)nc3c2cnn3-c2ccccc2)cc1 9573561 FCAAXBUDAAAGSE-UHFFFAOYSA-N 390.447 2.996 0 40 GFAB CC(C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1 7986166 WLDOELZLKLRVKZ-IBGZPJMESA-N 375.432 2.855 0 40 GFAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc(N2CCCC2=O)cc1 8184918 AHSWAHIRVBUVLS-UHFFFAOYSA-N 386.481 2.646 0 40 GFAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 8185209 FCWXTGMUFXJRMX-UHFFFAOYSA-N 388.445 2.776 0 40 GFAB CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(CN2CCCC2=O)c1 69350460 CKLVMALKFAKQSF-YOEHRIQHSA-N 389.521 2.695 0 40 GFAB Cc1ccsc1C(=O)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306132440 LIVWVBQJDDUOJG-QZTJIDSGSA-N 392.484 2.975 0 40 GFAB COc1ccc(CCN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1OC 17519694 QITZHWLHXPTQLE-UHFFFAOYSA-N 395.459 2.574 0 40 GFAB NC(=O)N[C@@H](CC(=O)N1CCN(c2ccccc2Cl)CC1)c1ccccc1 8747317 AZXBLSWRDSDKDQ-KRWDZBQOSA-N 386.883 2.788 0 40 GFAB Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 9607307 MLBHRAJSESNXPG-UHFFFAOYSA-N 383.448 2.669 0 40 GFAB CC(C)C[C@H]1C[C@@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCO1 95991607 VCZHMXZVFDQWKT-GJZGRUSLSA-N 383.448 2.853 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N1CCCc3ccccc31)O2 30946837 SDVHYAPVEGDPGI-LJQANCHMSA-N 386.473 2.501 0 40 GFAB COc1cc2nc(NN)n(-c3ccccc3OC(F)(F)F)c(=O)c2cc1OC 408712681 HLMSLDKSJKDMRU-UHFFFAOYSA-N 396.325 2.587 0 40 GFAB O=C1C[C@@H](c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)N2NC=NC2=N1 409376707 AEZFAPDRGDTARY-INIZCTEOSA-N 397.822 2.533 0 40 GFAB Cc1n[nH]c(=O)nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 31773546 HVGSIMBVAHMLSC-UHFFFAOYSA-N 378.763 2.876 0 40 GFAB CN(C)CCOc1cc(CNC(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)ccn1 527837441 XCQIEMRHTQEHPN-HOTGVXAUSA-N 394.466 2.884 0 40 GFAB Cc1cc(-c2cc(=O)n(CC(=O)NCCc3ccccc3F)nc2C(C)C)on1 72340996 OHPQFEYJIMGOEE-UHFFFAOYSA-N 398.438 2.828 0 40 GFAB Nc1nnc(COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)s1 222642984 PKMAKUKNFALHOF-UHFFFAOYSA-N 380.426 2.639 0 40 GFAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 225737840 ROAKOBQXPDEMFY-LLVKDONJSA-N 385.442 2.738 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 225827425 JJKPQVCLLCYHHM-NSHDSACASA-N 384.404 2.767 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(=O)OC)cc3)ccc21 225687580 HWFOHWJXDFGVJT-UHFFFAOYSA-N 392.458 2.670 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)OC)ccc21 225687293 HVWNJPGRQHZJPE-UHFFFAOYSA-N 392.458 2.670 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 220182520 FRXQWJKXYAKWIC-KBPBESRZSA-N 394.468 2.866 0 40 GFAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 98181753 AUTCQXVTOIJYOT-AWRDBPELSA-N 399.488 2.557 0 40 GFAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccc4ccccc4n3)C2)C1 96228482 WIIGKHDZGCHYPH-FDDCHVKYSA-N 397.519 2.824 0 40 GFAB CN(C)S(=O)(=O)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242459 UINNBSKPNBPKMQ-UHFFFAOYSA-N 391.581 2.832 0 40 GFAB CCN1CC[C@]2(CN(CCOC)CC23CCN(Cc2cccs2)CC3)C1=O 96036416 VQIRFBDKDJQUIR-NRFANRHFSA-N 391.581 2.531 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1ccco1)N1CCSCC1 245053424 OTURHGSBSIFMOE-MRXNPFEDSA-N 386.473 2.928 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2-c2cccnc2)cc1 252536898 JSSYXUJMRZSKKL-UHFFFAOYSA-N 395.484 2.796 0 40 GFAB CN1CCN(CC2(C)CCN(C(=O)c3ccc(-c4cnco4)cc3)CC2)CC1 543610479 XSGPTMXCQPTTKV-UHFFFAOYSA-N 382.508 2.831 0 40 GFAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc(O[C@@H](C)C(=O)O)c(F)c2)CC1 630258671 QYUPJGCTNVKINO-LBPRGKRZSA-N 380.416 2.511 0 40 GFAB N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3coc(-c4c(F)cccc4F)n3)C2)C1 653182738 WRGOYFXBOVXVKN-OGHNNQOOSA-N 391.418 2.978 0 40 GFAB CC(C)NC(=O)c1nnc(N2CCC3(CCCCC3)CC2)n1[C@H]1CCOC1 1615557458 GLNZYXZRWOUESK-INIZCTEOSA-N 375.517 2.928 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H](OCCO)c2ccc(C)cc2)cc1OC 96338440 DUHIUBOISMYIQB-HXUWFJFHSA-N 388.464 2.562 0 40 GFAB C[C@@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546852 VQYZKSSGTGLXSA-APWZRJJASA-N 393.578 2.545 0 40 GFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCCc1cccs1 5281821 VWCOWNQPGZJIBS-UHFFFAOYSA-N 381.383 2.779 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1F 5329650 LSXPKZZQYJMSJC-UHFFFAOYSA-N 394.424 2.771 0 40 GFAB CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 13122424 WKNLRMNROLNHDJ-CVEARBPZSA-N 387.440 2.935 0 40 GFAB CCNC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 13585230 VXMJILKDUICSIE-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1C 13612789 TVSJUYNRFQSLBW-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCC[C@H](C)C1 13674992 FDIHSENNSULSHE-INIZCTEOSA-N 394.537 2.988 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccco4)C[C@]34C=C[C@H]2O4)c1 15905422 PHKDZDGCQXIOBV-VQQMMKBISA-N 378.428 2.817 0 40 GFAB COC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 17083438 JRKWJWDADMHSLO-HSZRJFAPSA-N 395.455 2.964 0 40 GFAB CC(C)(C)c1cc(C(=O)N(CCO)[C@@H]2CCCc3ccccc32)nc2ncnn12 19083855 OYXBGUWMCHAVPX-GOSISDBHSA-N 393.491 2.934 0 40 GFAB Cc1nc2cc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)ccc2n1C 19656358 KUOAQGUZKLIPDO-UHFFFAOYSA-N 378.432 2.606 0 40 GFAB CCS(=O)(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CC1)CCC2 19706862 KAKZOQCSZSAPCT-QGZVFWFLSA-N 378.542 2.824 0 40 GFAB Cn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1 19718040 HZZDJXRHZYKOKA-GOSISDBHSA-N 381.459 2.847 0 40 GFAB CCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)C3)C1 607855252 RYYCAOJOEFMDCT-OAHLLOKOSA-N 382.439 2.739 0 40 GFAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)Nc3cnn(C)c3)CCOCC2)C1 12156962 VCDQVYGKOVMNHO-MRXNPFEDSA-N 398.463 2.747 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nc([C@H]4CCN(C)C4)ncc3C1)CCCC2 19581296 QMJOJWMQIYAMEY-HNNXBMFYSA-N 380.492 2.874 0 40 GFAB COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCC[C@@H]1C 5574846 JZIZKEXTSKWBPN-LBPRGKRZSA-N 395.506 2.967 0 40 GFAB CCC[C@@H](C)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 6593573 TXSHXXJTYJTAJS-PBHICJAKSA-N 388.464 2.545 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1C 15611356 GJFMGELINFXPNG-GOSISDBHSA-N 388.489 2.968 0 40 GFAB O=C(c1ccnc(OCC2CC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 245187578 ZPFYTRLDIPXVNK-UHFFFAOYSA-N 395.459 2.557 0 40 GFAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccco1 3008774 ZPNCMUQLOMATOR-UHFFFAOYSA-N 377.809 2.799 0 40 GFAB Cc1ccc(CNC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)cc1 4193586 ASUBAPMUJWHUIU-UHFFFAOYSA-N 375.475 2.515 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C 5075807 MWCNWTQDNVLIGG-UHFFFAOYSA-N 398.481 2.783 0 40 GFAB NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 9627811 DPYSPIDMTXAPKB-UHFFFAOYSA-N 380.429 2.676 0 40 GFAB O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1 10690995 PFPAUHPOGOIFPC-UHFFFAOYSA-N 377.809 2.949 0 40 GFAB COC1(CC(=O)N2CCC3(CCCN(Cc4ccncc4)C3=O)CC2)CCC1 2055793533 PUEVFYRWIYIZJC-UHFFFAOYSA-N 385.508 2.772 0 40 GFAB O=S(=O)(c1ccccc1F)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974902 WFQFGVXORHQEOZ-UHFFFAOYSA-N 376.331 2.691 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775967437 RLSCFLZPQQTLDR-CYBMUJFWSA-N 384.413 2.766 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1C 40017301 HVKHMZIYVKPZFU-HNNXBMFYSA-N 375.494 2.699 0 40 GFAB CC(C)N(CCNC(=O)C1CCN(C(=O)c2ccnc(Cl)c2)CC1)C(C)C 40150159 VFSPXPXXEYHODE-UHFFFAOYSA-N 394.947 2.822 0 40 GFAB C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCCCC1 40156944 CMYBFRORSJTBOS-INIZCTEOSA-N 393.553 2.512 0 40 GFAB Cc1ccc(C(=O)N2CCN(C(=O)Cc3n[nH]c4ccccc34)CC2)cc1F 50586821 XUMCBLFWSASDBH-UHFFFAOYSA-N 380.423 2.538 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@@H]3C2=O)cc1 101360734 XHJLRDJHRLTIKP-RDJZCZTQSA-N 398.802 2.809 0 40 GFAB CN1CCC(N2CCC(NC(=O)NC[C@@H]3CCCc4ccccc43)CC2)CC1 51760577 UCCQXSMVLOFKCZ-IBGZPJMESA-N 384.568 2.964 0 40 GFAB COc1ccc([C@@H](CNCc2ccc(OC)cc2OC)N2CCOCC2)cc1 32735848 VQRDYJXAHBBVOE-OAQYLSRUSA-N 386.492 2.876 0 40 GFAB COc1cccc2c1OC[C@@H](NC(=O)c1nnn(-c3ccccc3Cl)c1C)C2 103394482 MIMNRJQEGZDXHZ-AWEZNQCLSA-N 398.850 2.971 0 40 GFAB COc1ccc(CN2CCN([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1F 22912253 NICLWKPMDAIJOT-KZNAEPCWSA-N 391.531 2.845 0 40 GFAB CC(C)C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2106991 BECHYHJRWRRZLV-KRWDZBQOSA-N 387.432 2.666 0 40 GFAB biogenic CCC[C@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2120003 IHJUNEHFYGFVBE-ZDUSSCGKSA-N 381.812 2.763 0 40 GFAB biogenic Cc1nnc(SCC(=O)NC(=O)NCc2ccccc2)n1Cc1ccccc1 2663715 LMZJFXJIXJCQKR-UHFFFAOYSA-N 395.488 2.753 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 3352354 HITCLCADYALWJC-UHFFFAOYSA-N 379.416 2.992 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)c1C 3365505 YBLYZTIGLYBVGK-UHFFFAOYSA-N 386.404 2.806 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4144301 AGBRNNFXUULIMS-JKIFEVAISA-N 382.313 2.930 0 40 GFAB CCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)c2ccccc2c1=O 4326074 VWJJNODWUAAEMH-GFCCVEGCSA-N 383.379 2.740 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4338023 NVTSUDBFZGAADK-GRDNDAEWSA-N 396.390 2.661 0 40 GFAB NC(=O)c1nc(-c2cccc(Cl)c2)nc2c1[nH]c(=O)n2-c1ccccc1F 4518706 YXKVKALASANQTN-UHFFFAOYSA-N 383.770 2.667 0 40 GFAB C[C@@H]1[C@@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2c1ccc(Br)cc1 4772769 JKBNGUTWVQJJLM-KJEVXHAQSA-N 395.301 2.815 0 40 GFAB Nc1c(C(=O)NC[C@H]2CCCO2)sc2nc3cc4c(cc3cc12)OCCO4 4848859 LSVVJOPFGAVROE-LLVKDONJSA-N 385.445 2.712 0 40 GFAB O=C(NN1CC(=O)N(C(c2ccccc2)c2ccccc2)C1=O)c1ccncc1 5018960 YBNSGXBNVJHBFE-UHFFFAOYSA-N 386.411 2.780 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)cc1 5171140 BDHHQQRTLLMQMQ-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(C)cc3)n2)cc1OC 5388745 KGYMEJXFSSVGKD-UHFFFAOYSA-N 393.443 2.552 0 40 GFAB COc1ccc(C)cc1CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 5702180 RZSMDTQDVBGBLG-UHFFFAOYSA-N 394.518 2.712 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1 6154711 GEMANTQLNQAPPQ-UHFFFAOYSA-N 398.444 2.998 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6264308 SQJFPBQPHGBKIT-VOQZNFBZSA-N 388.508 3.000 0 40 GFAB biogenic Nn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccccc1Cl 6560546 HUKDTCSJKKQOFK-UHFFFAOYSA-N 391.859 2.860 0 40 GFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCCc1ccc(F)cc1 6652877 INKGIKULWVMIPK-UHFFFAOYSA-N 393.344 2.857 0 40 GFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccccc1 7362342 RNPJGIKLXSFDAI-QGZVFWFLSA-N 381.432 2.943 0 40 GFAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc2c(c1)OCCO2 7456883 CFXXQUMSLLGTAA-UHFFFAOYSA-N 393.399 2.573 0 40 GFAB C[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)C(=O)N1CCc2ccccc2C1 7621524 XZLBOLZGBVQFRL-OAHLLOKOSA-N 394.427 2.501 0 40 GFAB Cc1c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)oc2ccc(F)cc12 8073241 ZZTQRYNYSQGDNC-CABCVRRESA-N 395.452 2.689 0 40 GFAB Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(CCO)C3=O)c1 8574853 JXUPYQCGZHRTEU-LJQANCHMSA-N 379.416 2.642 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCCCC1=O 9365405 OENWSIJTUWBYDF-UHFFFAOYSA-N 386.279 2.793 0 40 GFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2cccs2)no1 9647886 HLUKCUSPVQLXKC-GOSISDBHSA-N 382.401 2.528 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 10826224 SFVPQQPGBQIPJF-UHFFFAOYSA-N 377.448 2.505 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1C 10968213 OACGEUBHTRQIJH-GFCCVEGCSA-N 392.477 2.703 0 40 GFAB CCn1c2cc(C)oc2c2cnn([C@@H](C)C(=O)NCc3ccccn3)c(=O)c21 12117739 IEFQIJSYCXCYGT-ZDUSSCGKSA-N 379.420 2.545 0 40 GFAB Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12274466 QYDHDGFUULUBLQ-UHFFFAOYSA-N 389.415 2.856 0 40 GFAB Cc1ncc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cn1 12667251 DKKBBXZGFKQLED-UHFFFAOYSA-N 376.420 2.660 0 40 GFAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc3cc(OC)ccc3c2)C1=O 12752180 UAALMUKCCFFETP-JOCHJYFZSA-N 397.475 2.920 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1nc2ccsc2c(=O)[nH]1 12881512 AQXDIGATDJUYSG-UHFFFAOYSA-N 378.404 2.723 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 12911235 DKQKJIFAZOBPIQ-UHFFFAOYSA-N 383.473 2.955 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2COc3ccccc3C2)cc1OC 13257267 WFVOYHYASFCENQ-HOTGVXAUSA-N 385.416 2.587 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCN(c2nccs2)CC1 14015155 FOAREDUBDXSUAU-UHFFFAOYSA-N 384.505 2.803 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 14138725 HYTAMKJKILAEJO-KGLIPLIRSA-N 385.489 2.553 0 40 GFAB COC(=O)c1ccc(NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 15290035 OFYPHPVZGJYRPF-UHFFFAOYSA-N 389.839 2.636 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Br)cc1 15350730 RTLJAUTWTNNUJP-KBPBESRZSA-N 379.254 2.953 0 40 GFAB CCc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1 16844602 NEYUKBLMYIVBDB-UHFFFAOYSA-N 385.493 2.983 0 40 GFAB O=C(NCCc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 17121959 IFEYSPLFWRJVKH-UHFFFAOYSA-N 379.386 2.570 0 40 GFAB Cc1ccc([C@H](NC(=O)CCn2c(C)cc(C)nc2=O)c2cccnc2)cc1 19136679 RUDOYIMBOQUTSQ-NRFANRHFSA-N 376.460 2.859 0 40 GFAB O=C(CCN1C(=O)CSC1=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 19372882 KAQFQNHDQUHNNL-MRXNPFEDSA-N 398.488 2.511 0 40 GFAB COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1 19567125 DPBOZEFYYMSDBZ-SLFFLAALSA-N 382.504 2.566 0 40 GFAB COc1cccc([C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)c2ccccc2)c1 19572375 YVPFBARFVRFBJR-NRFANRHFSA-N 377.444 2.775 0 40 GFAB COCCN1CCN(C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1 19593403 HMCBSRQTUXUHMP-UHFFFAOYSA-N 384.505 2.555 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)n1 19698243 PWRFNIUJAGDMHX-FQEVSTJZSA-N 392.569 2.551 0 40 GFAB CCN1CCC(CC(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)CC1 19706056 FBUSMJVARVWNHO-LJQANCHMSA-N 386.540 2.611 0 40 GFAB O=C(NC(NCc1cccnc1)(C(F)(F)F)C(F)(F)F)c1cccnc1 20479376 QMHMQDAXTYQCSX-UHFFFAOYSA-N 378.276 2.817 0 40 GFAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2cccc(Cl)c2)CC1 21902172 VGPNNAYMABLRSX-UHFFFAOYSA-N 375.900 2.734 0 40 GFAB O=C(COC(=O)CCNC(=O)c1ccc(F)cc1F)Nc1ccc(F)c(F)c1 22440979 SSNUIUFNKGFNFH-UHFFFAOYSA-N 398.312 2.545 0 40 GFAB COC(=O)CNC(=O)c1ccc(NCC(=O)Nc2cccc(C(C)C)c2)cc1 22732954 RNWCMWZDUGAMIH-UHFFFAOYSA-N 383.448 2.763 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CC[C@@H]2CCCC[C@@H]2C1 22774660 FJCLUYCXDVVERW-VQTJNVASSA-N 399.535 2.572 0 40 GFAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1 24749470 NPOHSTOUMZJJNO-NSHDSACASA-N 398.444 2.963 0 40 GFAB COc1ccccc1N1C(SCc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 32640563 ZPHOHYGYLFXGEI-NVXWUHKLSA-N 388.514 2.970 0 40 GFAB CC(C)(CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)N1CCOCC1 32747931 IQZZSVMBCGQANE-UHFFFAOYSA-N 392.887 2.550 0 40 GFAB Cn1c(SCc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)nnc1-c1cccs1 33007476 QFFWTENMLOVZTH-UHFFFAOYSA-N 397.485 2.776 0 40 GFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 36393258 ZERRRCSXGVUWBU-FZKQIMNGSA-N 394.447 2.844 0 40 GFAB COc1ccccc1C(=O)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 38489192 HQCBEDSHBZMQGY-UHFFFAOYSA-N 394.500 2.960 0 40 GFAB Cc1cc(C)cc(OCC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1 39404224 NCFPCLPIICXUHL-SFHVURJKSA-N 393.365 2.965 0 40 GFAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)C1(c2cccc(Cl)c2)CC1 41408337 MFTTVMJNFDGWGD-SFHVURJKSA-N 380.941 2.696 0 40 GFAB Cc1cc([C@H]2CCCN2C(=O)NC[C@H](c2cccs2)N2CCOCC2)on1 43101013 DUQNICCLGWUNLH-HZPDHXFCSA-N 390.509 2.965 0 40 GFAB Cc1ccc(S(=O)(=O)n2c(NCC3CCNCC3)nc3ccccc32)cc1 43220496 IOWBUFMHRNLCGR-UHFFFAOYSA-N 384.505 2.993 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nc(Cl)c(Cl)c(Cl)c1Cl 48380782 MPHIHBMZTDXRHD-BYPYZUCNSA-N 378.064 2.612 0 40 GFAB COc1ccccc1N1CCN(CC(=O)Nc2cccc3nsnc23)C1=O 49026323 HKAYDPIOQYHKSX-UHFFFAOYSA-N 383.433 2.581 0 40 GFAB O=C(CN1CCCN(CC2CCCCC2)CC1)NC(=O)NCc1ccccc1 54318156 NEQLEHKVYQDYRR-UHFFFAOYSA-N 386.540 2.600 0 40 GFAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 57472096 IDHFQPROTUDHGU-UHFFFAOYSA-N 386.423 2.648 0 40 GFAB C[C@@H](CNC(=O)[C@@H]1COc2ccccc2C1)N1CCN(c2ccccc2)CC1 65566766 MTVODHQXOUNYBI-ICSRJNTNSA-N 379.504 2.565 0 40 GFAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)NC1CCC2(CC1)OCCO2 67734974 VXBVUBPDLUYBPB-IBGZPJMESA-N 387.524 2.884 0 40 GFAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 72228537 HYARWHHTOPSAAT-IBGZPJMESA-N 393.487 2.535 0 40 GFAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCNc1ccccn1 72271146 QPTXMSWFWNHAHL-UHFFFAOYSA-N 390.443 2.832 0 40 GFAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)c1 72350331 MRKKSACFQNLJMN-SFHVURJKSA-N 396.516 2.974 0 40 GFAB Cc1cccnc1Nc1ccc(C2CCN(S(=O)(=O)N(C)C)CC2)nc1 72374201 OBLMWFYSFPEAAH-UHFFFAOYSA-N 375.498 2.514 0 40 GFAB O=S(=O)(Cc1cccc(F)c1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77198154 SXISNEAGVNQDTN-LLVKDONJSA-N 393.362 2.937 0 40 GFAB Cc1c(C(=O)N(C)CC(C)(C)CN2CCOCC2)cnn1-c1ccccc1F 89545022 UMXWKPBLUUNQNT-UHFFFAOYSA-N 388.487 2.750 0 40 GFAB Cc1cc(C)cc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)c1 96237735 CAVZSSGCPABAIM-QHCPKHFHSA-N 377.488 2.867 0 40 GFAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccccc2OC)C3)c(OC)n1 100149449 WQTSZKUNBIKKBA-IAGOWNOFSA-N 399.491 2.622 0 40 GFAB Cc1nnsc1C(=O)N1Cc2nc3c(-c4ccccc4)c(C)nn3c(O)c2C1 100215299 IUSDVGFRAWRIGK-UHFFFAOYSA-N 392.444 2.726 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1OC 102896117 MNLFDKMPGGSOKV-IEBWSBKVSA-N 380.400 2.613 0 40 GFAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3ccccc3)CC1)CC2=O 170550490 OAEQVDZOWKHLSX-UHFFFAOYSA-N 387.457 2.884 0 40 GFAB Cc1cc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc(N(C)C)n1 188281566 YQUWEDHQWWPQML-UHFFFAOYSA-N 375.281 2.636 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 216286981 AWZQHGDWHUCHCJ-ZDUSSCGKSA-N 396.896 2.992 0 40 GFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220143798 XIZNSZHJMSINTR-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222445771 GGXDADNJCMUILQ-UHFFFAOYSA-N 376.478 2.672 0 40 GFAB COc1ccccc1N(CCCC(=O)N1CCc2ccccc21)S(C)(=O)=O 222583386 NJVJXAAFDCDOQN-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB Cc1nc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)cs1 223416314 NGBLAZCOZCULFK-HNNXBMFYSA-N 395.431 2.860 0 40 GFAB CN(c1ccc(Cl)c(C(=O)N2CCOCC2)c1)S(=O)(=O)c1ccccc1 224328626 FKANMUICHJRAJJ-UHFFFAOYSA-N 394.880 2.638 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1C 224488722 RIKIGTDEUQCPMK-QGZVFWFLSA-N 390.505 2.508 0 40 GFAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCn1ccnc1 224729042 CXYQOVHUAAKVOH-RGEXLXHISA-N 378.432 2.762 0 40 GFAB Cc1nc2ccccn2c1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 245053541 OYWDAKFALBHUCL-UHFFFAOYSA-N 389.444 2.739 0 40 GFAB Cc1cc(C)c2[nH]c(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)c(C)c2c1 257235548 GYGHHWUMHPBLFM-WOIUINJBSA-N 399.535 2.779 0 40 GFAB Cc1cc(C)nc(N2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)n1 257339210 ZASKLVUGEJWDPH-HXUWFJFHSA-N 389.459 2.832 0 40 GFAB CC1(C)CC(=O)c2cc(C(=O)N[C@@H](CC(=O)O)c3ccccc3)c(O)nc2C1 263116037 CFTNCFJPVRPMRQ-HNNXBMFYSA-N 382.416 2.888 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 306126821 FGBOWWCWZXPYSO-RBBKRZOGSA-N 396.491 2.891 0 40 GFAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 408552282 LELASAPQARPRFY-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408702259 MIURSWJYJMMLHF-CYBMUJFWSA-N 388.917 2.669 0 40 GFAB COc1ccn2c(C(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)cnc2c1 516456924 VLLAHQRLCVVDPY-CEXWTWQISA-N 377.444 2.988 0 40 GFAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)NCC(C)(C)c2cccc(Cl)c2F)n1 518897502 SLXFVDZBOPSCQA-SMDDNHRTSA-N 396.850 2.966 0 40 GFAB Cc1ccn(-c2ccc(NC(=O)N3CC[C@H]4[C@@H](C3)NC(=O)N4C(C)C)cc2)n1 580587922 GHJFLUCIQQENAA-MSOLQXFVSA-N 382.468 2.589 0 40 GFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@H](n2cnc3ccccc32)C1 585149338 LPDMHGFOJPHKFE-LBPRGKRZSA-N 385.474 2.677 0 40 GFAB Cc1c(-c2nc(-c3cccc(Br)c3)no2)nnn1[C@H]1CCNC1 656559038 JCMQEAYEWPKFQY-LBPRGKRZSA-N 375.230 2.600 0 40 GFAB O=C(c1cc2c(s1)CCNC2)N1CCC(C(=O)N2CCc3ccccc32)CC1 662412103 JEDLYTHEOLECEX-UHFFFAOYSA-N 395.528 2.835 0 40 GFAB NC(=O)c1cc2cc(NC(=O)N3C[C@@H](c4ccccc4)[C@](F)(CO)C3)ccc2[nH]1 1679759000 FFKVVJGXHHXESL-HRAATJIYSA-N 396.422 2.599 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4cn(C)cn4)C[C@@H]3C2)nc2ccccc21 1888890846 CPIBKBXIKGVMPA-HZPDHXFCSA-N 378.480 2.559 0 40 GFAB CCc1c(C)nc(C(C)(C)C)nc1N1CCN(c2ncnc3ncn(C)c23)CC1 1888898017 ZCANIBFYELUOSP-UHFFFAOYSA-N 394.527 2.648 0 40 GFAB Cc1ccc(-n2ncc3c2N=C(SCC(=O)NC(C)C)N2CCCN=C32)cc1 12390545 ZULWDQPRGSZELF-UHFFFAOYSA-N 396.520 2.892 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)cc1 812566 RAQUIKOFQZADGS-IBGZPJMESA-N 382.445 2.749 0 40 GFAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)c1 79111251 OYIDMIRTSBYCFU-QGZVFWFLSA-N 375.450 2.682 0 40 GFAB Cc1cc(S(=O)(=O)NCCc2cn3ccccc3n2)ccc1Br 12539414 SSLCPFFQWSIVBO-UHFFFAOYSA-N 394.294 2.926 0 40 GFAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCc2ccccc21 4904436 VVFAXGVJRMKZAQ-HNNXBMFYSA-N 376.503 2.738 0 40 GFAB Cc1ccc(OCC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 105638045 AFGXIXDLQYYHKO-QFIPXVFZSA-N 381.520 2.869 0 40 GFAB O=C(Oc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680845 ANAXAXCUICOIAT-UHFFFAOYSA-N 387.866 2.642 0 40 GFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 7871831 PXNJQQPYWRJCSK-INIZCTEOSA-N 390.505 2.817 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccccn2)c1C(F)(F)F 24574296 JNDKKGLJDZVCNX-UHFFFAOYSA-N 390.321 2.945 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8896317 NLQYDMZWBOGSTA-CQSZACIVSA-N 395.481 2.563 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)c1 107475554 OZHUAYFSLNDLMS-UHFFFAOYSA-N 390.505 2.832 0 40 GFAB COc1ccc(COC[C@H](O)Cn2c([C@H](C)O)nc3ccccc32)cc1OC 12648045 YOEJNICPXZCEMD-GOEBONIOSA-N 386.448 2.685 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377779 LBTJAIHWPDIMLS-BBRMVZONSA-N 397.504 2.896 0 40 GFAB O=C(Cc1noc2ccccc12)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 58192502 UDYHOYYOYPTERV-LJQANCHMSA-N 377.444 2.720 0 40 GFAB COc1ccccc1CNC(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 58244401 OZJOAWPASBORKF-UHFFFAOYSA-N 376.420 2.909 0 40 GFAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N2CCc3ccccc3C2)n1 57506492 TWNXHLVUCBRTCT-UHFFFAOYSA-N 392.434 2.892 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1F 11116956 JTQPLGZVOXLMHB-UHFFFAOYSA-N 394.244 2.750 0 40 GFAB CC(C)CNC(=O)NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1 12884662 UXXNTGVIYNDVBL-GFCCVEGCSA-N 380.876 2.749 0 40 GFAB CCC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 59291063 IIKZJAOOGDFIGM-UHFFFAOYSA-N 384.388 2.861 0 40 GFAB CCN(C(=O)[C@H](C)OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 11318256 VRVUNJNMNMDXES-AWEZNQCLSA-N 375.446 2.689 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1nnc2ccccn12 11545776 SFJSLNIYHBTUGM-UHFFFAOYSA-N 398.829 2.988 0 40 GFAB Cc1cc(OCc2ccc(C(=O)NCCN3CCOCC3)o2)ccc1Cl 27936199 MMISGFRWUFOUJL-UHFFFAOYSA-N 378.856 2.882 0 40 GFAB CCOC(=O)c1ccc(N2CCN(Cc3cc(OC)ccc3OC)CC2)nc1 29525291 MNARVYSJBHGXLK-UHFFFAOYSA-N 385.464 2.598 0 40 GFAB CCCN1CCC([C@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1 11812867 UHSMLRBRMPERRU-IBGZPJMESA-N 378.542 2.817 0 40 GFAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1)NC1CC1 2633161 AVYMYQOSCFCECY-UHFFFAOYSA-N 378.881 2.810 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccs3)CC2)cc1 2652789 UMMOBNKMPIABFD-RMKNXTFCSA-N 376.503 2.603 0 40 GFAB CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)C[C@H]1COc2ccccc2O1 12911066 ONSOCWGGLYLYNG-KRWDZBQOSA-N 399.447 2.505 0 40 GFAB CC1(C)NC(=O)N(CCSc2nnc(-c3ccccc3F)n2C2CC2)C1=O 12916300 WOKDIVXLCNLYTM-UHFFFAOYSA-N 389.456 2.842 0 40 GFAB Cc1cc(NC(=O)c2nccnc2C(=O)O)nn1Cc1ccc(F)cc1Cl 72401232 HVTQMEXMYFDLGM-UHFFFAOYSA-N 389.774 2.773 0 40 GFAB COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1 4165191 MGVMMKDTHQONIS-KRWDZBQOSA-N 390.461 2.823 0 40 GFAB O=c1[nH]c(SCc2nnnn2-c2ccc(Cl)cc2)nnc1-c1ccccc1 13625488 LKWHVQPANLPXRP-UHFFFAOYSA-N 397.851 2.753 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)cc1 6137769 OEMBRZQPFXBVDR-LBPRGKRZSA-N 396.476 2.955 0 40 GFAB O=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 6167917 QZYXALGFGOGFGD-UHFFFAOYSA-N 384.461 2.504 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1)c1cccs1 14068726 IYYYCFSHGHJMFD-GOSISDBHSA-N 399.516 2.937 0 40 GFAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCN3CCOCC3)cc12 14183030 PNENDRXDUSJOSW-UHFFFAOYSA-N 384.505 2.517 0 40 GFAB O=C(O[C@@H]1CCCCC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6486028 GTAVPNMRJIOHAP-OAHLLOKOSA-N 385.869 2.793 0 40 GFAB Cc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)c(C(N)=O)c(C)c1C 14254345 MMNJWUCCOHSCIX-IINYFYTJSA-N 392.525 2.602 0 40 GFAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)NC3CCCCC3)n2C)c1 4691178 WKMSWTSCZCVRFR-UHFFFAOYSA-N 387.509 2.982 0 40 GFAB COc1cccc(NCc2nnc(SCC(N)=O)n2C2CCCCC2)c1 5635914 FEOQZBKAUQXPCH-UHFFFAOYSA-N 375.498 2.981 0 40 GFAB O=C(COc1ccc(F)cc1Br)NC[C@H]1COc2ccccc2O1 5631044 PJTAVACPRHGZFJ-LBPRGKRZSA-N 396.212 2.923 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1ccc(C)cc1 4934938 KCPDSWZHYVMUHM-LJQANCHMSA-N 376.416 2.826 0 40 GFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C)cc2C)c1 7389737 ZGRFAKXMTRBPNX-UHFFFAOYSA-N 398.459 2.944 0 40 GFAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc21 15867552 YRGLSAFCVPHFBR-UHFFFAOYSA-N 385.489 2.996 0 40 GFAB O=C(NOCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7791474 WERNKICYGYYRFL-UHFFFAOYSA-N 394.880 2.986 0 40 GFAB COc1ccccc1C(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 7777966 HTMZCRWUQQHWTQ-LBPRGKRZSA-N 375.808 2.893 0 40 GFAB COc1cccc(CNC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 7984131 SJYMXXGSNLWPEQ-UHFFFAOYSA-N 393.226 2.914 0 40 GFAB COc1cc(SC)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7975388 HOLTUKFBKALLFV-NSHDSACASA-N 388.445 2.700 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2oc3c(F)cccc3c2C)NC(=O)N[C@@H]1C 8328161 BJKUDMVWXOAABX-SNVBAGLBSA-N 390.367 2.556 0 40 GFAB COC(=O)c1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)ccc1OC 18069603 NLTHLUKDSLSPHF-UHFFFAOYSA-N 382.416 2.539 0 40 GFAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8722810 WEEBURDEMPVQFO-FEAKQIBJSA-N 399.472 2.715 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 29343078 JFXZDMHFGGUHOZ-UHFFFAOYSA-N 388.489 2.536 0 40 GFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 409105955 PUJSQXJYBYTXFT-LQGZHCLWSA-N 385.825 2.955 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c1 85878880 RDWNBVVFPBPCKR-GOSISDBHSA-N 395.415 2.513 0 40 GFAB biogenic Cn1ccc2c1CN(C(=O)c1ccnn1C)Cc1cn(Cc3ccccc3)nc1-2 306131127 JXIYQFUUHPZEAG-UHFFFAOYSA-N 386.459 2.826 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022754 ONIIHZCUCVUING-MRXNPFEDSA-N 392.463 2.834 0 40 GFAB CC[C@@H](C)CNC(=O)c1ccc2ncc(N3CCN(CC4CC4)CC3)nc2c1 306142656 XFPXTOXPHKVTCI-MRXNPFEDSA-N 381.524 2.938 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1C 409377138 FANBKSUHJFBNKO-MRXNPFEDSA-N 382.526 2.567 0 40 GFAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)COc3ccccc3)oc2c1 32127557 OKFBYLKADUKAIR-UHFFFAOYSA-N 384.417 2.678 0 40 GFAB CCN(CC)CCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339036 SBJVCDHWJCQQIQ-ZDZLMVPKSA-N 399.535 2.789 0 40 GFAB COCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)c1 39763628 FVQPSKGDEPNYGT-UHFFFAOYSA-N 382.376 2.582 0 40 GFAB CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 72242137 YYCOIFNJFYRHME-UNMCSNQZSA-N 395.478 2.690 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218458320 QQVRVMRWEQUOJG-DYXWJJEUSA-N 387.501 2.758 0 40 GFAB CCc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 224110947 PFDPIGYCEKJLBK-UHFFFAOYSA-N 376.478 2.819 0 40 GFAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2ccccc2Cl)CC1 225707219 ZQBRCLXTHKTEDC-INIZCTEOSA-N 387.867 2.865 0 40 GFAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc(OC)c1O 199431467 AKYVWVPHEWFTDH-LJQANCHMSA-N 396.487 2.959 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cccc(C)c3)ccc21 225124388 MXAJDDFTNBABJX-UHFFFAOYSA-N 388.489 2.651 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCc3nc(NC(C)=O)sc3C2)[nH]n1 77141839 AKRUKGXYLJADFM-UHFFFAOYSA-N 397.460 2.699 0 40 GFAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1 77200863 ABUMNAUCWXTPBK-SJFMBGHLSA-N 375.490 2.887 0 40 GFAB O=C1CC(c2cccc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)c2)CC(=O)N1 573063969 LTXPLRWGTBZQIA-OMNBBPDLSA-N 396.365 2.501 0 40 GFAB Cc1noc(C)c1CN1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 96260568 WSSGKVDDMFZCIR-UHFFFAOYSA-N 397.523 2.811 0 40 GFAB CC(=O)NCc1ccc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)cc1 95999091 AQTCPOCQJGFMCK-HXUWFJFHSA-N 392.459 2.946 0 40 GFAB O=C(c1ccccc1F)N1CCCN(S(=O)(=O)Cc2ccccc2)CC1 97137014 UQJNVRMIOOFINI-UHFFFAOYSA-N 376.453 2.504 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)NCc3ccc(C)o3)c(=O)cc2OC)cc1 96101091 LWSVEDPHKFLCDP-AWEZNQCLSA-N 397.431 2.706 0 40 GFAB CC(C)(C)c1cc(NC(=O)N2CCC[C@@H](CC(=O)O)C2)n(-c2ncccn2)n1 584709953 RHHGEOJZYYWCHR-ZDUSSCGKSA-N 386.456 2.678 0 40 GFAB CCn1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c(-c2cnn(C)c2)n1 585082353 HZJQQOYHEYMCLP-MOPGFXCFSA-N 393.491 2.542 0 40 GFAB C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)C1=O 253373715 JXHLWIMWEXMXIB-ZACQAIPSSA-N 387.524 2.816 0 40 GFAB Cc1nonc1NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257216924 CWRUVANVKKZCKV-UHFFFAOYSA-N 393.451 2.730 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 260588063 FRXQWJKXYAKWIC-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB Cc1ncccc1OC[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1N 616350757 MTGBGRGHNKVYTC-QGZVFWFLSA-N 377.448 2.842 0 40 GFAB COc1ccc(-c2cc(C(=O)NC[C@H]3CCCN3CC(F)F)n[nH]2)cc1OC 628614935 FLQHOEPWKLILLE-CYBMUJFWSA-N 394.422 2.553 0 40 GFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc3ccccc3[nH]2)CC1 96120385 ZZQRLZTYTOQELF-UHFFFAOYSA-N 383.477 2.610 0 40 GFAB COc1ccc(CN2CCc3oc(C(=O)N4C[C@H](C)C[C@@H](C)C4)nc3C2)nc1 585113033 XNOILNAQZNKEOP-HUUCEWRRSA-N 384.480 2.755 0 40 GFAB O=C(c1ccncc1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995502 ZJINYPNIBUWOJI-LBPRGKRZSA-N 377.242 2.565 0 40 GFAB Cc1cc(N2CCC[C@H](COc3ncc(Br)cn3)C2)nc(C)n1 1775996013 QRZIOCVWXFBLKR-ZDUSSCGKSA-N 378.274 2.941 0 40 GFAB CCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCC 936408 NOMQVJZBPRCBSG-WUXMJOGZSA-N 390.461 2.783 0 40 GFAB O=C(CCc1nc(-c2ccccn2)no1)NCCc1nc2cc(Cl)ccc2[nH]1 19403097 TWDJZYWBEXANCP-UHFFFAOYSA-N 396.838 2.953 0 40 GFAB CCN1CCN([C@H](c2ccccc2F)c2nnnn2Cc2ccc(F)cc2)CC1 19528087 DLWJBRQOMKXVFU-HXUWFJFHSA-N 398.461 2.727 0 40 GFAB COc1cccc(Nc2noc3c2CN(C(=O)CCc2cc(OC)no2)CC3)c1 19565908 KTJKBOYFLQWDIC-UHFFFAOYSA-N 398.419 2.941 0 40 GFAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2C(=O)CCc2nc(C)no2)n1 19690807 RWGIDMIWFJKNBZ-SFHVURJKSA-N 378.436 2.835 0 40 GFAB Cc1sc2c(c1C)CN([C@@H]1CCS(=O)(=O)C1)CN2C(=O)c1ccccc1 19880187 UXWLEABKSOXZIR-MRXNPFEDSA-N 390.530 2.972 0 40 GFAB COc1ccc(C2(C(=O)N[C@H](C)Cn3nc4c(cc3=O)CCCCC4)CC2)cc1 12084775 TUXGQIAORGGQMC-MRXNPFEDSA-N 395.503 2.757 0 40 GFAB COc1ccccc1CN(C)C(=O)CSc1nc2sccc2c(=O)n1C 7781681 DCFAAWMMTJMHLO-UHFFFAOYSA-N 389.502 2.754 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCCc1ccc(-c2ccnn2C)cc1 1889277373 JMJKOGCYUKIPMB-UHFFFAOYSA-N 389.452 2.756 0 40 GFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCc3ccccc3C2)C1=O 24148403 CRCQJNCVBCBICX-QHCPKHFHSA-N 375.472 2.958 0 40 GFAB O=S(=O)(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccc(F)c(Cl)c1 238958778 YFYXSNVCSFGYDJ-UHFFFAOYSA-N 398.803 2.873 0 40 GFAB CCn1cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)c(C)n1 2037908904 FOSXZYKCNQAEPO-HXUWFJFHSA-N 375.444 2.787 0 40 GFAB COc1cc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)ccc1O 11694868 CGEDRCKHRONNKJ-NXOUGTEYSA-N 379.420 2.651 0 40 GFAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C1 2055738637 FVFKHFVBTACVSB-PKOBYXMFSA-N 384.863 2.953 0 40 GFAB CCOc1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1OCC 40012255 RICVGGBDXGVHSY-MAUKXSAKSA-N 383.510 2.732 0 40 GFAB COC(=O)c1ccc(OC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1 40060175 GDXHVJUFUCGNEY-UHFFFAOYSA-N 375.812 2.739 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1Cl 40133398 PUBXDZNWGKHABR-JTQLQIEISA-N 394.262 2.737 0 40 GFAB O=C(CCOc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)nc1 40106524 QXSMSODLIZCOSO-UHFFFAOYSA-N 375.856 2.657 0 40 GFAB C[C@@H]1CN(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCO1 40135481 ZEJQXWGRKXSNFR-CYBMUJFWSA-N 392.443 2.579 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 20215869 OVTHHRJIJKVBEE-CXAGYDPISA-N 391.493 2.570 0 40 GFAB Cn1cnnc1-c1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1 31806044 OCJRCUVDDUZRFL-UHFFFAOYSA-N 385.374 2.519 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc(C)c2)C(=O)N3)cc1 20744565 JLGRWYKGIDIQRS-INIZCTEOSA-N 377.404 2.784 0 40 GFAB COc1ccccc1[C@H](CNC(=O)c1cnn(-c2ccccc2)n1)N1CCCC1 32674724 MLRYPQAQTCGVKG-FQEVSTJZSA-N 391.475 2.843 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)N(C)C)cc1 32960877 ZFBHNKADFANSTR-KXBFYZLASA-N 384.480 2.624 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCC(=O)N4)cn2)n1 47217049 OHHABZLTNHNWKT-UHFFFAOYSA-N 375.432 2.699 0 40 GFAB CCN(CC)CCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 2990400 CTAQNDUYORWAHH-UHFFFAOYSA-N 378.476 2.522 0 40 GFAB Cc1oc(-c2ccccc2)nc1Cn1cccc(S(=O)(=O)N2CCCC2)c1=O 77199936 YDDTUYABJGDBEC-UHFFFAOYSA-N 399.472 2.645 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1ccccc1Cl 23053884 NOKVLOBLOJSNQV-UHFFFAOYSA-N 393.834 2.933 0 40 GFAB CC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 1330210 ANHBEKUKTHVXAK-UHFFFAOYSA-N 395.506 2.838 0 40 GFAB O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1nc2ccccc2s1 2093258 GPGPCHBOJBRVRG-UONOGXRCSA-N 380.473 2.516 0 40 GFAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305206 OJUZCFAPRHPYQQ-FQEVSTJZSA-N 389.455 2.816 0 40 GFAB CCCCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1OC 105741585 XWJHYKPAVYVPTR-RNCFGZQNSA-N 389.517 2.848 0 40 GFAB CCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 6957784 XRIPNUSSQCCGEF-UHFFFAOYSA-N 396.553 2.861 0 40 GFAB C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 25106436 VDKBAPQXNSSXHA-INIZCTEOSA-N 388.489 2.525 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 8515951 CDLBCVWWRJMNTR-OVCLIPMQSA-N 398.396 2.765 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)(C)O)C2 8665387 MKWFKXIKUBABHP-CWMQWSEUSA-N 399.531 2.910 0 40 GFAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2cnccn2)CC1 25343777 GIUXAJWAAZETTB-UHFFFAOYSA-N 393.447 2.623 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(=O)c2ccccc2o1 3254768 LWJNKDJRMZIPTN-UHFFFAOYSA-N 398.440 2.830 0 40 GFAB CC[C@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)c1ccccc1 43849063 PPGGOSRVYNUSTI-OAHLLOKOSA-N 383.448 2.905 0 40 GFAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974789 VNCDHXSCQCSNGU-MRXNPFEDSA-N 382.526 2.711 0 40 GFAB C[C@@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccccc1 45090010 HLQVGQXSAOABPW-OAHLLOKOSA-N 392.546 2.875 0 40 GFAB C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](CNS(C)(=O)=O)C1 58406608 WSFUKHIVBRCTJR-QWHCGFSZSA-N 380.432 2.907 0 40 GFAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 3359745 ITWVJUWDBRVKNO-UHFFFAOYSA-N 382.750 2.530 0 40 GFAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 10764530 KVQLOGPPWBBQSY-ZDUSSCGKSA-N 375.446 2.629 0 40 GFAB CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]12C 36424256 IBALQPBIWZLHPR-SJEMMDPOSA-N 376.449 2.505 0 40 GFAB biogenic,in-vitro CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(N)nc(N)n1 11233808 SFSFNUAPFNBEOP-UHFFFAOYSA-N 379.442 2.859 0 40 GFAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NC[C@@H]1CCCO1 12822319 LKOWESHMEPGOIL-HNNXBMFYSA-N 395.381 2.986 0 40 GFAB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c1 20061326 PZRVMNBHFWPEJJ-UHFFFAOYSA-N 385.825 2.637 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)CC2)cc1 72296542 HLDYDBCBAUUBST-OAHLLOKOSA-N 382.508 2.767 0 40 GFAB CCc1ccc(N(CC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 22361651 LIDVWMTZLPLVSZ-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COc1ccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 306142032 WNKDGLRNSUPCJZ-FGZHOGPDSA-N 388.471 2.973 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCS(=O)(=O)O)CC2 9154050 CBJLOWPVVJHMPV-HXUWFJFHSA-N 391.489 2.929 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1 4161550 UZCQUPUOZUHKAW-UHFFFAOYSA-N 397.456 2.841 0 40 GFAB COc1cc2oc(=O)c(CC(=O)N3CCC[C@@H](C(=O)O)C3)c(C)c2cc1Cl 9341047 IIEBYYVBEXDRHE-LLVKDONJSA-N 393.823 2.629 0 40 GFAB CCN(Cc1ccncc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 6167909 CDOBSJGYXLOJTD-UHFFFAOYSA-N 393.534 2.593 0 40 GFAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 5219245 XNVPHWHHTMBIIP-HHHXNRCGSA-N 384.457 2.608 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)c3sc(C(C)C)nc3C)CC2)on1 65564201 ADZUJQFCFOZROK-UHFFFAOYSA-N 376.482 2.906 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)s1 14160192 PPWLRGJGQRQNTP-UHFFFAOYSA-N 383.882 2.849 0 40 GFAB COc1ccc(C2=NO[C@@](CC(=O)O)(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 5483961 ICFQFTHRDZUGKL-NRFANRHFSA-N 396.399 2.874 0 40 GFAB O=C(Nc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9422467 HRVAASQZTFYVEF-CYBMUJFWSA-N 379.869 2.774 0 40 GFAB COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1S(N)(=O)=O 6578995 FNZVBHDIGHSYIG-UHFFFAOYSA-N 389.260 2.831 0 40 GFAB O=C(COC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccn1 4676707 CDDAQBUFUGMVPE-HXUWFJFHSA-N 389.411 2.735 0 40 GFAB C[C@@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)O)c(=O)n3CCc1ccccc1 6760148 RLGGEMMZBAHYSR-CYBMUJFWSA-N 398.484 2.677 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc4nc(C)sc4c3)ccc21 9544357 DCJXXSUMMSFTTR-UHFFFAOYSA-N 380.429 2.880 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccc(CN2CCCC2)cc1 8430668 JAHAFPLLUGSJCM-UHFFFAOYSA-N 393.487 2.714 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(F)cc1)c1ccccc1F 113965820 WOFVAJZBCWUDPS-UHFFFAOYSA-N 382.432 2.827 0 40 GFAB O=C(CSc1nccn1Cc1ccccc1)N1CCN(c2ccccn2)CC1 9753651 RMIHREHJEKRMDM-UHFFFAOYSA-N 393.516 2.767 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)Cc1n[nH]c(=O)c2ccccc12 9910779 QNAPSINQOZKQOK-UHFFFAOYSA-N 376.460 2.724 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1 409152950 KHXVSPBFQKXSMM-MSUUIHNZSA-N 393.424 2.992 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ncccn2)c1 24561722 QNHRAPASQYNPMP-SFHVURJKSA-N 376.416 2.734 0 40 GFAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 20018905 CRDCXHIYMKRPCB-UHFFFAOYSA-N 380.441 2.838 0 40 GFAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 36829755 MMFHXEFSQYMKNG-OAHLLOKOSA-N 382.526 2.791 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(-c3cccnc3)n[nH]2)CC1 62007424 VNLRCMHOSBJXLK-UHFFFAOYSA-N 386.459 2.844 0 40 GFAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 32835378 PBEGXDLKZMOMRE-SFHVURJKSA-N 391.880 2.827 0 40 GFAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 222898616 XRCXCUGJCUDOGK-UHFFFAOYSA-N 388.489 2.732 0 40 GFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 224276540 MFALRLHHQWATCP-UHFFFAOYSA-N 389.477 2.672 0 40 GFAB CCn1cc([C@H]2CN(C(=O)c3cn(-c4cccc(F)c4)nc3C)CCO2)cn1 574857233 ALIJBRKIDZAUDI-LJQANCHMSA-N 383.427 2.750 0 40 GFAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1NS(C)(=O)=O 43523004 PBUOALINVZHUBJ-CYBMUJFWSA-N 390.461 2.629 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2cc(C)cc(C)c2)c1 224108629 KMDJHOIRNUBENE-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB O=C(CN1CCC(COCc2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1 77191606 FWKOJXFMAFUIDU-IBGZPJMESA-N 380.916 2.864 0 40 GFAB O=C1[C@@H]2C[C@@H](CN2S(=O)(=O)c2ccccc2)Oc2ccccc2N1CC1CC1 96111643 NIVLINQTMHIEJX-LPHOPBHVSA-N 398.484 2.654 0 40 GFAB biogenic,in-vitro O=C(c1ccc(OCC2CCOCC2)nc1)N1CCn2c1nc1ccccc12 253394080 ACBMUOOXFMFFSO-UHFFFAOYSA-N 378.432 2.897 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 257335252 YJIFIAUSENPBRC-OAHLLOKOSA-N 393.509 2.880 0 40 GFAB O=C(CCCn1cc(-c2cccc(Br)c2)cn1)N1CCOCC1 252480241 BYWTYXYRIHMABR-UHFFFAOYSA-N 378.270 2.952 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 260925559 VPEFHGBPGMRCOS-ATZDWAIDSA-N 386.521 2.681 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)N3CCN(c4cccc(F)c4)CC3)cc2NC1=O 639485827 FUJZHLNUXLQXLQ-ZDUSSCGKSA-N 384.411 2.899 0 40 GFAB CO[C@H](C(=O)Nc1ncc(C(F)(F)F)cc1Br)[C@H]1CCOC1 622859367 UFXBFYDLYGSPKR-XVKPBYJWSA-N 383.164 2.853 0 40 GFAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)ccc21 626364386 FHBGFCUSBBTDQY-NYSBEXSLSA-N 398.507 2.887 0 40 GFAB CC(=O)N1Cc2ccc(S(=O)(=O)NCc3cccc(Cl)c3F)cc2C1 1654385370 MGZHYYLUKZDXGC-UHFFFAOYSA-N 382.844 2.820 0 40 GFAB Cc1cc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)c(Br)s1 633990531 RUIUCUWFPQUCMR-QMMMGPOBSA-N 383.193 2.944 0 40 GFAB Cc1cc(=NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)[nH]n1-c1cccc(C(F)(F)F)c1 652771066 UWGUFGDSOVXPHB-CHWSQXEVSA-N 394.397 2.852 0 40 GFAB CCOc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)nn1 660261692 NJSBPXSIQWWBEI-FQEVSTJZSA-N 381.480 2.858 0 40 GFAB Cn1nc(-c2ccccc2NC(=O)Nc2ccc3c(c2)OCCO3)ccc1=O 96025158 RKWCCFJZTPXVOP-UHFFFAOYSA-N 378.388 2.863 0 40 GFAB O=S(=O)(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 390830290 JYXOLPHTYCTXHU-UHFFFAOYSA-N 397.493 2.594 0 40 GFAB CC(=O)N[C@@H]1C[C@@H](Oc2cccc(Cl)c2)[C@H](O)[C@H]1N(C)Cc1ccccc1 585262444 OBTOQFDHQSTWQK-CGXNFDGLSA-N 388.895 2.857 0 40 GFAB CN1CCN(CC2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)CC1 57065651 RRMXFZBPEDCFRA-UHFFFAOYSA-N 399.457 2.570 0 40 GFAB O=C(O)c1cc(NC(=O)c2ccccc2I)ccc1O 20137871 IDWHDOKGXHASGE-UHFFFAOYSA-N 383.141 2.947 0 40 GFAB CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(Cc2c[nH]c3ccccc23)C1=O 5393781 HNJIAHWEWRZHPK-UHFFFAOYSA-N 390.443 2.775 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)n12 12181913 CBOTYXZGQSBJBG-GASCZTMLSA-N 381.480 2.672 0 40 GFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)c1ccccc1 12530244 ACYDTUMKCWPYRT-IBGZPJMESA-N 375.428 2.672 0 40 GFAB biogenic,in-vitro COC(=O)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 14095092 IPNGULHKQNONBA-CQSZACIVSA-N 379.416 2.738 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 16248513 ABZDKXUQTZMNQP-VIFPVBQESA-N 384.807 2.969 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 17270595 KUSJJYFRXXGLPR-UHFFFAOYSA-N 394.522 2.893 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN3CCOc3ccc(F)cc3)ncc2C1 19018615 RGOQMNUXEJWEHK-FQEVSTJZSA-N 384.455 2.736 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 19291218 BRLJZNKXYAYNQY-LJQANCHMSA-N 390.422 2.718 0 40 GFAB C[C@H](CNC(=O)[C@](C)(O)c1ccccc1)n1nc(-c2cccs2)ccc1=O 19456407 NSEWJWLULQUARO-JLTOFOAXSA-N 383.473 2.557 0 40 GFAB COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(N3CCC(C)CC3)n2)CC1=O 19497046 WNLVPTQJPSSZIS-OAHLLOKOSA-N 382.464 2.535 0 40 GFAB COc1ccc(OC)c([C@@H](O)CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 19551142 ZHQHRAXXBPQXFL-XLIONFOSSA-N 390.524 2.852 0 40 GFAB COc1ccc(C(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)c(OC)c1 19551866 UNRPTRYHLLBXGX-CYBMUJFWSA-N 379.416 2.570 0 40 GFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3ccnn3C)c2)cn1 19691032 BIZGHDUPVJAZMR-OAQYLSRUSA-N 390.491 2.882 0 40 GFAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 12087156 QMCLNBZRWYHXKQ-VGSWGCGISA-N 396.491 2.637 0 40 GFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCC[C@H](CO)C1)[C@]1(C2)NC(=O)c2ccccc2N1 257260736 LECRRTWKHHPNQY-YVYGCQPASA-N 397.519 2.595 0 40 GFAB C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(-n2ccnc2)cc1 18049142 BZHADTUAILBVDJ-CQSZACIVSA-N 384.461 2.735 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccc3c(c2)CCC3)C1=O 6610717 LPZPUWPOEXLYNF-NRFANRHFSA-N 395.484 2.766 0 40 GFAB Cc1ccc(OC[C@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nn1 1888866869 LTJGVJIBXSLPMU-SFHVURJKSA-N 381.476 2.761 0 40 GFAB COc1cc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)ccc1OC(C)C 2037983888 JYSARTZTZSRCHJ-JOCHJYFZSA-N 390.524 2.942 0 40 GFAB COC1CCN(c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)CC1 252481604 CPACYKSXOVHJQU-UHFFFAOYSA-N 380.492 2.659 0 40 GFAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCC(C)C)ccc3c2=O)cc1 4791461 JVBUORAJDGZTHL-UHFFFAOYSA-N 395.459 2.523 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 8961573 FYBXWVYQLXNBLK-UHFFFAOYSA-N 380.853 2.914 0 40 GFAB CCCN1C(=O)CCc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21 9107296 WQMZLQVCZMJKNM-UHFFFAOYSA-N 391.427 2.611 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccccc3)n2)cc1 13795994 VYWLKRQQCXWQAO-UHFFFAOYSA-N 393.443 2.504 0 40 GFAB COc1cccc(S(=O)(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)c1 1775969330 LQSYFZJNUYSVGF-MRXNPFEDSA-N 376.478 2.878 0 40 GFAB COc1nn(C)cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 36646814 BAFLQMFNCKYZJR-UHFFFAOYSA-N 382.401 2.911 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 30937116 GQNNRKWULNKKFN-HXUWFJFHSA-N 384.524 2.635 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1cccs1)N1CCOCC1 40047244 CTAGINVWUNCLBZ-MQDFFIGUSA-N 386.473 2.680 0 40 GFAB COc1cc(I)c(Cl)cc1C(=O)N1CCO[C@H](C)C1 40073940 VTOYNQPJGCKWNT-MRVPVSSYSA-N 395.624 2.814 0 40 GFAB COc1ccccc1OS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 40156950 IRJHNBYXUCETQN-UHFFFAOYSA-N 399.490 2.760 0 40 GFAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 40134077 KUXRZGPZDKTULK-UHFFFAOYSA-N 388.474 2.708 0 40 GFAB O=C(CCN1CCC[C@@H]1c1ccsc1)NN1C(=O)NC2(CCCCC2)C1=O 40154236 VVDMIICNXINBMU-OAHLLOKOSA-N 390.509 2.561 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccc(F)c(F)c3)CC2=O)c1C 31301239 SWSWZQWMYXQZHF-KXBFYZLASA-N 388.414 2.784 0 40 GFAB O=C1CC[C@@H](C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CN1 51573403 OXEGTLXCZDWBDV-SSDOTTSWSA-N 379.627 2.655 0 40 GFAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 20725178 OGFWGYSLJDNHPL-HNNXBMFYSA-N 377.404 2.866 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 32764419 IRSJZIWUPNOAGB-CQSZACIVSA-N 385.420 2.738 0 40 GFAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(c2ccc3nnnn3n2)CC1 32779357 SFTDSIYCPLRXBS-KRWDZBQOSA-N 398.442 2.612 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc2c(cc1Cl)OCCO2 102424474 MLAKXWCQRMDTKN-RYUDHWBXSA-N 392.839 2.615 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)CCO1 41270803 JJCBSBTVMYJHKR-AWEZNQCLSA-N 392.452 2.629 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 798098 NLYRCSUWORTPAY-UHFFFAOYSA-N 384.807 2.969 0 40 GFAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 813960 XKXPIPHLMJOJFI-OAHLLOKOSA-N 382.526 2.709 0 40 GFAB O=C(CSc1nnc(O)[nH]c1=O)Nc1c(Cl)cc(Cl)cc1Cl 1282710 OBLXWLDXWLTJCF-UHFFFAOYSA-N 381.628 2.562 0 40 GFAB COc1cc(NC(=O)CSc2nnc(-c3ccccc3N)n2C)cc(OC)c1 1364491 VZENEBXJDGDALO-UHFFFAOYSA-N 399.476 2.812 0 40 GFAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O 1910784 FHLZVXDVZNAEAQ-GOSISDBHSA-N 394.427 2.879 0 40 GFAB Cc1c(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2cc(O)ccc12 2098086 SENWQXATZZWXQH-LJQANCHMSA-N 381.384 2.682 0 40 GFAB biogenic O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1Cl 2952351 IIRDRLFPMOPYAP-UHFFFAOYSA-N 399.878 2.872 0 40 GFAB CC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3504573 AWFFIYIYGDKGEO-UHFFFAOYSA-N 382.416 2.556 0 40 GFAB CSCC[C@@H](C(=O)Nc1nc(C)cs1)N1C(=O)c2ccccc2C1=O 3562100 NRXHOIRCFMKTCU-ZDUSSCGKSA-N 375.475 2.808 0 40 GFAB CCOc1ccc(CO[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 4029418 AOWCCGTVGMHYSD-UJWQCDCRSA-N 394.464 2.998 0 40 GFAB biogenic CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 4328176 RNGPTBLBKNCNLV-UHFFFAOYSA-N 380.451 2.592 0 40 GFAB CCN(C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 4352046 OEOKTSLYIMMVLX-UHFFFAOYSA-N 380.400 2.550 0 40 GFAB CNC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)sc(C)c1C 4570447 OCWVMRSKFFGURJ-UHFFFAOYSA-N 398.481 2.666 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 5522553 LRBKOZVLGFOTLF-UHFFFAOYSA-N 393.443 2.840 0 40 GFAB C[C@@]1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCS(=O)(=O)C1 5971677 SFIXYBXMLPWZGC-MRXNPFEDSA-N 382.532 2.596 0 40 GFAB COc1ccc(OC)c(C[C@@H](C(=O)Nc2cccc(C)c2C)c2nn[nH]n2)c1 6207519 XHYZEZZOPXNJSU-MRXNPFEDSA-N 381.436 2.799 0 40 GFAB CCCN(C(=O)c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 6509425 LASCTLDGYVOHMQ-UHFFFAOYSA-N 392.459 2.532 0 40 GFAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 6957742 CCUQGMVHSLZJTB-UHFFFAOYSA-N 396.553 2.555 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(F)c1 7458817 JEQQVUGCXJOKLF-UHFFFAOYSA-N 375.306 2.911 0 40 GFAB CCCNC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7522377 XZEVVBBXJXCAIG-CQSZACIVSA-N 385.464 2.585 0 40 GFAB CCCn1c(O)nnc1SCC(=O)N(C)Cc1ccccc1Br 7532499 ACGPFJVMIHJJKG-UHFFFAOYSA-N 399.314 2.907 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)O[C@H](C(=O)N1CCOCC1)c1ccccc1 8291771 JFXIVMBIKGCPCH-NRFANRHFSA-N 378.428 2.854 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 8708641 IHEFMKMPNXYKQR-UHFFFAOYSA-N 386.477 2.509 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1ccccc1)CC2 8764504 SDEJGAYKTFEXHH-AWEZNQCLSA-N 383.448 2.799 0 40 GFAB biogenic O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 8883002 GRTVXQUNLVVTSK-FQEVSTJZSA-N 378.363 2.769 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN(C)CCn1c(C)csc1=O 8944646 JEPBWUKLYOQNHW-UHFFFAOYSA-N 398.326 2.860 0 40 GFAB O=c1oc(-c2cccs2)nn1Cc1cc(=O)n2c3c(sc2n1)CCCC3 9049289 OQKNUVZXRTXYIH-UHFFFAOYSA-N 386.458 2.561 0 40 GFAB COc1ccccc1-c1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1N 9212539 SCTMVKZGJIHICD-NSHDSACASA-N 394.460 2.757 0 40 GFAB O=C(COc1ccc2ccccc2c1)NCc1nnnn1-c1ccc(F)c(F)c1 9570911 MNYQLVSOIHTUQZ-UHFFFAOYSA-N 395.369 2.789 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)c1C 10219115 YHSBAFSUWMUUPP-KRWDZBQOSA-N 387.480 2.850 0 40 GFAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 10846879 NUDFUDWYCDDUNI-BXUZGUMPSA-N 398.481 2.607 0 40 GFAB CCc1ccc([C@H](C)NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1 11101640 HIPNLTQWOXZAOJ-ZDUSSCGKSA-N 385.855 2.522 0 40 GFAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc4nccnc4c2)CC3)C1 12145354 ZCJFXEZUKGVVIS-OAHLLOKOSA-N 390.491 2.508 0 40 GFAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCC(F)F)CCOCC2)C1 12157567 CFUYGGUIADYNBT-ZDUSSCGKSA-N 382.407 2.756 0 40 GFAB O=C(Cc1ccccc1)NC(NC[C@H]1CCCO1)(C(F)(F)F)C(F)(F)F 12376207 FCXXKBDMBSDFCK-GFCCVEGCSA-N 384.320 2.935 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@@H](c2cc3ccccc3nc2N2CCOCC2)N1 12540885 RKOMSNLBANWBDO-FQEVSTJZSA-N 399.458 2.517 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12560083 WHUUEXAALATCGI-GOSISDBHSA-N 389.463 2.914 0 40 GFAB C[C@H](NC(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1 12594912 DYCOQUKATNLUHS-FUHWJXTLSA-N 381.476 2.885 0 40 GFAB COCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 12604661 QZRMMAVUTLVCRY-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842620 RFGQIAPSMRWNFG-UHFFFAOYSA-N 399.472 2.606 0 40 GFAB COc1ccc([C@@H](O)CN2CCC(N3CCC(C)CC3)CC2)cc1NC(C)=O 19496843 LPKQWLIJIUIFGD-NRFANRHFSA-N 389.540 2.883 0 40 GFAB Cc1cc(COC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)no1 20035458 YNGIQTQOSUFZBF-UHFFFAOYSA-N 382.413 2.654 0 40 GFAB Oc1c([C@H](c2ccc(F)cc2)N2CCC3(CC2)OCCO3)sc2ncnn12 22609683 XNHGXTXUIHXZIR-AWEZNQCLSA-N 390.440 2.564 0 40 GFAB Cc1cccc(CN2CCN(C(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)c1 23788729 WAKHQPZNJPKQND-UHFFFAOYSA-N 395.503 2.785 0 40 GFAB Cc1csc(=O)n1CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 24154139 APYDXCAWECQVAR-UHFFFAOYSA-N 399.438 2.976 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2cc(NC(C)=O)ccc2F)cc1OC 26541130 NMKRNLRLOVTMGG-UHFFFAOYSA-N 382.413 2.911 0 40 GFAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1Cl 28807888 SREHOKIKTCXWAR-MRVPVSSYSA-N 383.857 2.957 0 40 GFAB CC[C@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccccc1 29671139 WGUZNEACYGJUAI-SFHVURJKSA-N 380.444 2.894 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCSc2ccccc2)cc1 30497812 PQLATCADGAOVAW-UHFFFAOYSA-N 376.503 2.884 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)c1 31517332 YZWYCVFOTPKJAM-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1C 32081022 NBCJXTFBWPARED-CQSZACIVSA-N 388.445 2.542 0 40 GFAB CNC(=O)CN(C)C(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1 32747957 KVGWSFNXGSUGFW-UHFFFAOYSA-N 380.423 2.805 0 40 GFAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccsc1C(=O)O)O[C@@H](C)C2 32885529 GFOALSJKLMJBRH-JTQLQIEISA-N 397.474 2.647 0 40 GFAB CC(C)(C)NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 33736795 GGUJJSMFWGMDSE-UHFFFAOYSA-N 390.505 2.946 0 40 GFAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c1=O 38652693 ZHBVFKMXXOTLAT-UHFFFAOYSA-N 382.807 2.935 0 40 GFAB COCCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 38757091 CEMSWYSHOFIWRN-UHFFFAOYSA-N 382.869 2.907 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C(=O)OCc2cc(=O)n3ccsc3n2)C(C)C)c1 39658702 MNKMIXZYHBJGMK-QGZVFWFLSA-N 399.472 2.562 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)N1CCN(c2nc(C)cs2)CC1 43668221 PKMIWVTXJMQCAN-UHFFFAOYSA-N 389.481 2.773 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856418 JYIXNLGTZQLGTN-HNAYVOBHSA-N 388.489 2.708 0 40 GFAB COc1ccc(CCNC(=O)CN2CCC(CN3CCCCCC3)CC2)cc1 48333637 LRAOWFCAYGETTD-UHFFFAOYSA-N 387.568 2.942 0 40 GFAB Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1-n1cnnn1 49204090 QZWBGYAGXKKERB-ZDUSSCGKSA-N 390.403 2.533 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccccc2-n2ccnc2)C1=O 55696227 QAENNNWLFMOOQY-INIZCTEOSA-N 390.443 2.693 0 40 GFAB Cn1ncc2c(=O)n(CC(=O)N[C@H](CC3CCCCC3)c3ccccc3)cnc21 57265382 IFNAQZWCBNTGOX-LJQANCHMSA-N 393.491 2.958 0 40 GFAB COc1ccccc1N1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2F)CC1 57352527 ALCQREMHXVMMTE-OAHLLOKOSA-N 389.446 2.973 0 40 GFAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 58166736 AYEGNWKMKNKNJI-INIZCTEOSA-N 386.496 2.835 0 40 GFAB CC1(C)[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccncc4)n[nH]3)cc2)[C@H]1C(=O)O 71286633 KALWYJUPRPMCSS-CABCVRRESA-N 377.404 2.829 0 40 GFAB CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241281 BVBHUACEVGIIEV-DLBZAZTESA-N 378.881 2.958 0 40 GFAB O=C1N[C@@]2(COC3(CCN(C(=O)C4CCCCC4)CC3)C2)Nc2ccccc21 72325189 VVHFVDXBVHRERB-QFIPXVFZSA-N 383.492 2.900 0 40 GFAB O=C(N1CCC(c2nnc3n2CCNC3)CC1)C1(c2cccc(F)c2)CCCC1 72372093 OGUMGWKLUUQKKN-UHFFFAOYSA-N 397.498 2.738 0 40 GFAB COc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nc(C)no4)cn3)C2)cc1F 90591970 XBGIINNRSUWXGT-HNNXBMFYSA-N 397.410 2.596 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc2c(c1)CCO2 90607278 IWBFZILQKIVKIM-KRWDZBQOSA-N 387.867 2.633 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2ccccn2)Nc2ccccc21 100117910 SXQVSKJQDSJEGK-ORENWSFKSA-N 376.460 2.686 0 40 GFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 102681527 VFAYVFVUCGRBEL-GUDVDZBRSA-N 397.862 2.884 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCCOC 216246676 DNKSNHUJFJMGLY-LJQANCHMSA-N 386.448 2.868 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1cccc2ccccc12 223698567 OIEMDBLNZMJSTQ-UHFFFAOYSA-N 398.484 2.801 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)ccc1OC 223878602 FKGAEWAAIARHFT-UHFFFAOYSA-N 382.869 2.577 0 40 GFAB COc1ccc(S(=O)(=O)NCC2CCCCC2)cc1C(=O)N1CCCC1 224031624 IVVJWYBNCWJQSD-UHFFFAOYSA-N 380.510 2.790 0 40 GFAB CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(OC)c1 224808961 BWWWYJMHLNALFC-UHFFFAOYSA-N 379.434 2.690 0 40 GFAB Cc1ccccc1OCC(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225626041 RLAYNERICNFOCA-UHFFFAOYSA-N 378.432 2.628 0 40 GFAB O=S(=O)(NC[C@H](O)c1csc2ccccc12)c1ccc2c(c1)OCCO2 225696236 XZPVRBSVRWAYFI-HNNXBMFYSA-N 391.470 2.684 0 40 GFAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1cscn1 253599465 QCYPIRGPUHUYOL-AWEZNQCLSA-N 377.535 2.924 0 40 GFAB O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257256906 KNJFICSTNXDYMT-SFTDATJTSA-N 382.508 2.707 0 40 GFAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@]2(CC1)Cc1c(O)nc(O)nc1O2 257285261 PGIHZQQPXGOPRE-FQEVSTJZSA-N 398.394 2.508 0 40 GFAB COc1ccccc1NC(=O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 408736852 JFZTXIXLDXHAIZ-INIZCTEOSA-N 384.388 2.546 0 40 GFAB CC(=O)N1CCC[C@@H](CNC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)C1 558712096 UWIUCVPLBZJALV-KRWDZBQOSA-N 386.496 2.611 0 40 GFAB CC[C@@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccccc1OCC(=O)N(C)C 559146737 CGMHKBZISBZJEE-UYAOXDASSA-N 388.483 2.937 0 40 GFAB CS(=O)(=O)c1ccccc1CC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 570274408 UXMWTUUBDFZIQZ-VQIMIIECSA-N 393.892 2.621 0 40 GFAB CCOc1ccc(C(C)(C)C(=O)N[C@@H]2CCC(=O)NC2(C)C)cc1OCC 585080407 IDPXPAAYWJGYLQ-QGZVFWFLSA-N 376.497 2.935 0 40 GFAB CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccccc3OC3CC3)c2)CC1 585083051 XIRLIONQFSPSJY-UHFFFAOYSA-N 393.487 2.797 0 40 GFAB CCn1cc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037988984 PZIDMILKECCHLN-OAQYLSRUSA-N 386.471 2.830 0 40 GFAB O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 1225010 DMXVDWGMQFLBNE-UHFFFAOYSA-N 386.429 2.776 0 40 GFAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 1744700 MZGAMZHHFSGGFD-VZUCSPMQSA-N 390.461 2.783 0 40 GFAB CCN1C(=O)[C@@](O)(CC(=O)c2cccc(N)c2)c2cc(Br)ccc21 2433831 GZRXMEOLMCHADE-GOSISDBHSA-N 389.249 2.858 0 40 GFAB Cc1cc(C(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c(C)n1C 3426806 SQDFNXJBJGCGBZ-UHFFFAOYSA-N 391.522 2.774 0 40 GFAB O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3566965 BQULNXSRTFOCNT-UHFFFAOYSA-N 398.500 2.689 0 40 GFAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4043487 GOUMLHLYFWBNID-ZXFNITATSA-N 392.249 2.687 0 40 GFAB biogenic COc1cc(NC(=O)c2nnn(-c3cc(OC)cc(OC)c3)c2C)cc(OC)c1 4483193 ZGVNAVRVNRNIQG-UHFFFAOYSA-N 398.419 2.862 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3sccc3C)C2=O)cc1 4827012 AGTHZVGZYRKFNU-MRXNPFEDSA-N 386.473 2.697 0 40 GFAB CCCCCCn1c(=O)c2c(nc3n2CCN3c2cccc(OC)c2)n(C)c1=O 5083018 DTIHBFAXFZAFMW-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB COc1ccccc1CNC(=O)CCNS(=O)(=O)/C=C/c1ccc(C)cc1 5279245 RZKLSGADCGCTBY-WYMLVPIESA-N 388.489 2.600 0 40 GFAB Cc1ccsc1/C=c1/sc2nc3cc(Br)cnc3n2c1=O 5588692 GFFLLXJXXSAYAZ-VZUCSPMQSA-N 378.276 2.984 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OCC 7156970 WDHZGFFRMJDRIK-UHFFFAOYSA-N 399.399 2.855 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1cccs1 8009622 FYELAWYLWWJIAL-UHFFFAOYSA-N 382.489 2.939 0 40 GFAB COc1ccc([C@H]2NC(=S)N3[C@@H](c4ccc(OC)cc4)NC(=S)N23)cc1 8579974 DBYLDJATTOHJLI-HOTGVXAUSA-N 386.502 2.696 0 40 GFAB O=C(CCn1ncc(=O)c2ccccc21)NCc1ccccc1CN1CCCC1 9515449 AFWXSDPQGXLWOL-UHFFFAOYSA-N 390.487 2.699 0 40 GFAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccc(Cl)c(Cl)c2)N1 12113427 CEPSUMKIWRMETE-BMIGLBTASA-N 382.247 2.623 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1OC 12186691 MXEQTOCIDJYIGS-UHFFFAOYSA-N 394.475 2.934 0 40 GFAB CCn1cc(S(=O)(=O)N[C@H](Cc2ccsc2)c2ncccc2C)cn1 12229674 SGXDILYDEGACGS-MRXNPFEDSA-N 376.507 2.930 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)o1 12254687 WCCGZBPSTUYCAG-UHFFFAOYSA-N 378.432 2.958 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)ccc1Cl 12526068 XORIXJIDJFQLTK-UHFFFAOYSA-N 394.836 2.731 0 40 GFAB CCCNC(=O)CSc1nnc(SCC(=O)N2CCC(C)CC2)s1 12622175 WGDKFYGXRVYNRR-UHFFFAOYSA-N 388.584 2.507 0 40 GFAB Cc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc1O 12833663 ZAQMRRDFVMKJQR-UHFFFAOYSA-N 377.426 2.879 0 40 GFAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(S(N)(=O)=O)s2)c1 12845192 ZGLXSMVUBAPZKO-UHFFFAOYSA-N 382.507 2.523 0 40 GFAB COc1cc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc(OC)c1OC 13086675 ZCCUMWMMFNVYAG-UHFFFAOYSA-N 398.415 2.937 0 40 GFAB CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O)c1ccccc1 13843386 FYOGODRHQMCRDY-HNNXBMFYSA-N 380.400 2.890 0 40 GFAB COCCNC(=O)Cc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1 13850836 MOYOYZXJTATLJW-UHFFFAOYSA-N 396.896 2.587 0 40 GFAB C[C@@H]1CN(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)C[C@@H](C)O1 14198128 UKVCYQGSADUMDJ-ZIAGYGMSSA-N 395.550 2.830 0 40 GFAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O 16400615 HHAGSJNRHDCMKC-INIZCTEOSA-N 382.203 2.992 0 40 GFAB Nc1nc(COC(=O)[C@H]2Cc3cc(Cl)ccc3O2)nc(Nc2ccccc2)n1 16549250 AYOOSEBDSZCTMX-OAHLLOKOSA-N 397.822 2.898 0 40 GFAB C[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21)N1CCCC1=O 19079546 XDRMYYCSNATQDH-LKRGOLFISA-N 387.499 2.663 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3CCCCC3)C1)N2 19127890 IQVCGQMTXXFESO-YESZJQIVSA-N 395.498 2.906 0 40 GFAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@@H]5C)CC4)nn3c(O)c2C1 19462878 UYEQSLYSJIMRQG-GOEBONIOSA-N 397.523 2.563 0 40 GFAB COc1ccc(CN2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)cc1 19555021 KADOZZNXUMRXBP-SFHVURJKSA-N 399.491 2.972 0 40 GFAB COc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(OC)n1 19579430 XGMIUGULGKMFMW-UHFFFAOYSA-N 395.463 2.627 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N(C)Cc2ccccc2)c1C 21718455 XLBMNCFJVBGBGY-UHFFFAOYSA-N 383.473 2.874 0 40 GFAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 21919151 YRMTZYZWVUIEIM-LJQANCHMSA-N 376.403 2.533 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1F)S(C)(=O)=O 22251905 FXWCTYHXGDCOSB-UHFFFAOYSA-N 396.440 2.881 0 40 GFAB C[C@@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)c1ccc2c(c1)CCC2 22499488 DALFCHSPFKIYFA-CQSZACIVSA-N 390.439 2.779 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc2c(c1)OCCO2 23918149 HPOCOLJSSANDEM-SFHVURJKSA-N 379.420 2.765 0 40 GFAB CC[S@@](=O)c1ccccc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 24755853 UHNSFBANSSPGDI-SANMLTNESA-N 388.474 2.617 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccccc2Br)c1 24784325 RXSAPQDAZJSPCM-UHFFFAOYSA-N 397.246 2.892 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1 24927844 DSRAZPIJHAHPTA-UHFFFAOYSA-N 395.380 2.790 0 40 GFAB C[C@H](OC(=O)CCCn1c(=O)oc2ccccc21)C(=O)N(C)Cc1ccccc1 25046836 GQJZKAJEWDUTSR-INIZCTEOSA-N 396.443 2.965 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25638337 PQCFXDVMEODTTL-UHFFFAOYSA-N 382.386 2.987 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 27566220 OKUNVRATDRIWLD-OAHLLOKOSA-N 382.489 2.704 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N[C@H](C)c2ccccc2)cc1 28209424 JVXZZUXIHIZLCJ-QAPCUYQASA-N 386.473 2.552 0 40 GFAB Cc1n[nH]c(C)c1Cc1ccc(C(=O)NCCn2cc(Br)cn2)o1 28240722 XPGNROAUEANHIC-UHFFFAOYSA-N 392.257 2.599 0 40 GFAB COc1cccc([C@@H](NC(=O)c2ccc(OC)c(OC)c2)c2nccn2C)c1 29092981 BLEJFEQWQIQZOK-LJQANCHMSA-N 381.432 2.965 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN1CCO[C@@H](c3ccc(F)cc3)C1)C2=O 29894694 DNZZDLLTTHWSEQ-GBXVCHKXSA-N 375.444 2.657 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C1 32518817 JGVJIFNTRCQWRX-GJBLVYBDSA-N 379.840 2.926 0 40 GFAB CC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(C(C)=O)cc2)cc1 35291692 KJELENXIZZHQRK-UHFFFAOYSA-N 395.444 2.798 0 40 GFAB CCS(=O)(=O)N(C)CCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 40122163 OJFYSIQSYVXAGC-UHFFFAOYSA-N 386.945 2.940 0 40 GFAB Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)C(C)C)c3)cc(=O)n2o1 41089607 MNQNNHFOBCEQEO-UHFFFAOYSA-N 383.404 2.856 0 40 GFAB Cc1noc(C)c1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cn2)CC1 44095457 WHJVXUSSVLREJB-UHFFFAOYSA-N 396.451 2.822 0 40 GFAB CCCNC(=O)CN1CCC(NC(=O)c2ccc(Oc3ccccc3)nc2)CC1 44521107 FLYXZLSWUKDVKP-UHFFFAOYSA-N 396.491 2.594 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C[C@H](O)COCc2ccccc2)CC1 48260850 LKBAAIMXSAOQAA-QFIPXVFZSA-N 382.504 2.593 0 40 GFAB O=C1CCCN1C[C@@H](NS(=O)(=O)c1cccc2cnccc12)c1ccccc1 55244987 WUVCHZBEAQNVAS-LJQANCHMSA-N 395.484 2.877 0 40 GFAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccccc1C(=O)N1CCOCC1 58011435 PGIRJFLNVWIKRN-UHFFFAOYSA-N 390.443 2.526 0 40 GFAB CCOC(=O)[C@@H]1CCCN(c2nc(Nc3ccc(C)cc3)c3n[nH]nc3n2)C1 62022655 LZPRITGJDQERDO-CYBMUJFWSA-N 381.440 2.579 0 40 GFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2C)cc1 67323449 PKCDJCOLZUIUQN-UHFFFAOYSA-N 379.420 2.795 0 40 GFAB Cc1cc(N2CCC(C(=O)NCCCOC(C)C)CC2)nc(-c2ccccn2)n1 68666821 ZDXHFDUWZQASCE-UHFFFAOYSA-N 397.523 2.995 0 40 GFAB CCOC(=O)C[C@@H](c1ccc(Br)cc1)c1oc(CO)cc(=O)c1O 71283767 GDAPCZALHOSPLN-ZDUSSCGKSA-N 397.221 2.685 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349708 WIEQRSXVTXTXMQ-LJQANCHMSA-N 397.494 2.850 0 40 GFAB Fc1ccc(-c2cc(CNC[C@@H]3COc4ccccc4O3)c3nnnn3c2)cc1 72392375 ZGVFUJBFSUKNCD-GOSISDBHSA-N 391.406 2.860 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 72401205 PNDYQKZFOMCIQH-UHFFFAOYSA-N 379.250 2.552 0 40 GFAB O=C(Nc1cccc(Cn2cncn2)c1)C(=O)N[C@H](c1ccccc1)C1CCC1 78758174 WBCUQHUFKVKUOL-HXUWFJFHSA-N 389.459 2.923 0 40 GFAB COc1ccc(/C=C/C(=O)OCc2ccc(NS(C)(=O)=O)cc2)cc1OC 78806318 XTIOPRPCBUZJSX-YRNVUSSQSA-N 391.445 2.832 0 40 GFAB CN1C[C@@H](C(=O)OCc2cc(Br)ccc2OC(F)F)CC1=O 83877409 GAKXEGCHYJJABU-QMMMGPOBSA-N 378.169 2.572 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1 84811630 QZXVUZMCECKFSE-SJKOYZFVSA-N 376.434 2.615 0 40 GFAB O=C(CCNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96117349 ROXPXHFHNDDLQC-MRXNPFEDSA-N 397.866 2.925 0 40 GFAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(C3CCOCC3)c2)cc1 96123349 SHTRUDUHSQCBNO-UHFFFAOYSA-N 391.493 2.598 0 40 GFAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc12 96242156 OCVDPQXXHNBVET-OAHLLOKOSA-N 376.522 2.526 0 40 GFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3N3CCCN23)cc1 100797749 RNJVDKSWQXFFLJ-UFYCRDLUSA-N 377.444 2.539 0 40 GFAB Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccccc2Cl)C1=O 101718172 CYLXOIKDWJXNIU-GFCCVEGCSA-N 381.823 2.858 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(I)c1 102232329 NPABUOAYDFMERC-NGERZBJRSA-N 383.185 2.753 0 40 GFAB C[C@@H]1C(=O)[C@@]23[C@H]4[C@H](O)C[C@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H](O)[C@@]41C 103214106 MDODVBXGWQIKBY-WIFUTUDBSA-N 392.536 2.916 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222406262 MZHOIPPXBFKYEZ-UHFFFAOYSA-N 376.434 2.511 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)NCc2cccc3ccccc23)ccc1OC 222862025 BLVJZFDHNHADSZ-UHFFFAOYSA-N 384.457 2.687 0 40 GFAB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1NC(C)=O 223169119 AIJIEQVDDGHDQQ-UHFFFAOYSA-N 394.474 2.939 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1OC 223203668 KWFRLOYKISQDHX-CYBMUJFWSA-N 388.489 2.583 0 40 GFAB Cc1ccccc1-n1c(CC2CCN(C(=O)/C=C/c3ccco3)CC2)n[nH]c1=O 225546979 QOKLAYKWAYNRLW-CMDGGOBGSA-N 392.459 2.957 0 40 GFAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 226086036 GYWBCVHDROIMIN-UHFFFAOYSA-N 382.526 2.839 0 40 GFAB COc1cccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)c1OC 254868309 DAJXGSCOPOYZPU-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 260892885 FFYWVWIDXGPIGN-MJGOQNOKSA-N 380.554 2.822 0 40 GFAB CC(C)CS(=O)(=O)N[C@H]1CCCC[C@]12CN(C[C@@H]1CC=CCC1)CCO2 306123908 BAHBELYJQDXKMC-AABGKKOBSA-N 384.586 2.932 0 40 GFAB CCN1Cc2sc(C(=O)N3CCCCC3)nc2-c2ccccc2S1(=O)=O 306132340 LFZDQOLFJPYWEG-UHFFFAOYSA-N 391.518 2.960 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccnc4)C[C@@H]32)cs1 306133205 MFCHAOOKZHYQOC-OALUTQOASA-N 379.489 2.730 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390831312 RERCERJUVQJFHA-CQSZACIVSA-N 386.429 2.805 0 40 GFAB COc1cccc([C@H]2C[C@H](O)CN2C(=O)CCCc2ccc3nc(O)[nH]c3c2)c1 504114139 ASWNRVKRKHEOKW-OXJNMPFZSA-N 395.459 2.934 0 40 GFAB COc1ccc(NC(=O)CCCn2cccc2)cc1N1CCCCS1(=O)=O 524735623 OGEYSMJRBWTDID-UHFFFAOYSA-N 391.493 2.846 0 40 GFAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc2n(n1)CCC2 560271937 QBKPJHKXANGMRV-CYBMUJFWSA-N 379.247 2.671 0 40 GFAB Cn1cc(-c2nccnc2CNC(=O)c2nc(-c3cccs3)cs2)cn1 575618530 BIYGAORBBQLYLH-UHFFFAOYSA-N 382.474 2.992 0 40 GFAB Cn1cnc2cc(C(=O)N(Cc3ccsc3)[C@H]3CC34CCNCC4)cnc21 585140182 NWMZCWBESPCPFN-KRWDZBQOSA-N 381.505 2.814 0 40 GFAB CN(C)c1n[nH]c(C2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)n1 670398428 WQDIRKYFXWMYEY-UHFFFAOYSA-N 397.401 2.675 0 40 GFAB CCCn1cc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 1615127371 GBYJRUBMCRSDEH-NRFANRHFSA-N 386.471 2.830 0 40 GFAB CC[C@@H]1CN(C(=O)c2c(C)noc2C)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772595067 UKMBOQGYTLHHTO-NJDAHSKKSA-N 399.535 2.925 0 40 GFAB CN(C)c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 1775968260 VUZKDLQZSKWDGS-UHFFFAOYSA-N 394.519 2.741 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(N)cc3)n2C)cc1 694164 FYBPKGSUJGMRCZ-UHFFFAOYSA-N 397.460 2.582 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(N)c2)n1C 2425101 VZIFMDVXLAGCKW-UHFFFAOYSA-N 397.460 2.582 0 40 GFAB CSc1nnc(SCc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)s1 3342508 POWPXUKZIIURCK-UHFFFAOYSA-N 386.505 2.857 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccccc1 3501527 OZZLJGWSLSMSAS-UHFFFAOYSA-N 381.461 2.795 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccnc2Cl)c1C 3590659 KVIYZCKCCPIIAZ-UHFFFAOYSA-N 379.800 2.652 0 40 GFAB CC(C)(C)C(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 4122765 NQCGRKBAHMXVAD-UHFFFAOYSA-N 395.397 2.951 0 40 GFAB CC(=O)c1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(C)c2=O)cc1 4853441 DMNAACDLHQYYGO-UHFFFAOYSA-N 393.447 2.504 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSC(=S)N1CCCC1 5288361 KYGNCZVQBRVSKB-UHFFFAOYSA-N 385.942 2.851 0 40 GFAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 5375379 KDGGMAZYBVRXDP-UHFFFAOYSA-N 388.489 2.979 0 40 GFAB CCCN(CC1CC1)CN1C(=O)/C(=C/c2coc3ccccc3c2=O)NC1=S 5642877 BMEHDGZTDOGKTP-YVLHZVERSA-N 397.500 2.930 0 40 GFAB Cn1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc21 5703185 AQDYBRZTZBXRQG-UHFFFAOYSA-N 393.443 2.810 0 40 GFAB Cc1ccc(CN2C(=O)N/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 6044351 HMKCVXVDQPNDCQ-ZDLGFXPLSA-N 388.427 2.528 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(OC)c1 6111465 FQKRCJWBMIJVKH-UHFFFAOYSA-N 385.445 2.603 0 40 GFAB Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1Cl 6343848 GTNJBLYUIMQKQY-UHFFFAOYSA-N 399.863 2.701 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 7086186 HQQGSQJXSHMQNS-LLVKDONJSA-N 384.354 2.762 0 40 GFAB NC1=Nc2nc3ccccc3n2[C@@H](c2cc3c(cc2Br)OCO3)N1 7127189 VFEPUDOVJZOZOF-AWEZNQCLSA-N 386.209 2.624 0 40 GFAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 7482373 DHFJMIUJBNMIGK-UHFFFAOYSA-N 386.835 2.957 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1N 7781730 GNQZLZMWSKAGAO-MRXNPFEDSA-N 383.477 2.846 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 7940173 WPFQOZBMEPJLCC-INIZCTEOSA-N 386.448 2.552 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2ccccc2)c1 7975776 XNHVCEPUQPARCS-UHFFFAOYSA-N 391.493 2.776 0 40 GFAB CN(Cc1nc2ccccc2s1)C(=O)CCN1C(=O)c2ccccc2C1=O 8264277 TVAUDOVIONLTME-UHFFFAOYSA-N 379.441 2.941 0 40 GFAB Cc1ccc(N[C@@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 9338831 BKBWGPOUEWJZCV-MRXNPFEDSA-N 395.440 2.725 0 40 GFAB Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)s2)[nH]n1 9686446 WDXBUCZHXXDYDV-UHFFFAOYSA-N 388.518 2.958 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2F)n2nnnc2N3)cc1 10295419 JPJPGXAMXBWDGW-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB CC(C)[C@@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399805 DDCHNIBFISVAIQ-OAHLLOKOSA-N 399.582 2.899 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cn2cccn2)cc1 11001757 GVOHRYVSCSFQDY-SFHVURJKSA-N 381.457 2.580 0 40 GFAB Cc1cccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 11067692 GGQGJBULPFPXOO-INIZCTEOSA-N 394.475 2.629 0 40 GFAB COC(=O)c1cc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc(C(=O)OC)c1 11203832 ODXSSMPRWIOYGU-ZDUSSCGKSA-N 383.400 2.616 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 11448205 SGCUNBYMWSMTCQ-LBPRGKRZSA-N 393.534 2.747 0 40 GFAB CCN(CC)C(=O)CN1CCC(n2c(C)nc3sc(C)c(C)c3c2=O)CC1 12145411 RMFAPWSROUGYKC-UHFFFAOYSA-N 390.553 2.889 0 40 GFAB C[C@@]1(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC(c2ccccc2)=NO1 12203438 WVPYYDOEYCRHSV-QFIPXVFZSA-N 393.443 2.681 0 40 GFAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCc2sccc2C1 12214721 BEGWLFPEKKWCMU-UHFFFAOYSA-N 390.530 2.734 0 40 GFAB COc1cc(-c2cnc(NCCN3CCCC3)nc2-c2ccco2)nc(OC)n1 12253539 YORAHJDCTZBZIF-UHFFFAOYSA-N 396.451 2.719 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cccc(Cl)c1 12635239 LEPSRZNXHRCQLF-UHFFFAOYSA-N 380.897 2.997 0 40 GFAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccccc3)n2)C1 12769996 BUADTTPERQQFLX-GJZGRUSLSA-N 386.521 2.990 0 40 GFAB COc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c(OC)c1 12806801 YAVNDFPTSQLZHG-UHFFFAOYSA-N 375.406 2.611 0 40 GFAB COc1ccc([C@H]2NC(=S)N3[C@H](c4ccc(OC)cc4)NC(=S)N23)cc1 13479391 DBYLDJATTOHJLI-IYBDPMFKSA-N 386.502 2.696 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1 14115109 BVLOXOVIARQLBV-OAHLLOKOSA-N 390.461 2.947 0 40 GFAB COc1ccc(CCNC(=O)COc2ccc(N3CCCC3=O)cc2)cc1OC 14198340 DEGXBPQIJATVNM-UHFFFAOYSA-N 398.459 2.568 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(=O)[nH]c2ccccc12 16050292 IEHQKAHSOQHLCC-UHFFFAOYSA-N 397.456 2.565 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 19331088 MFSXHPJGKNHIPZ-AWEZNQCLSA-N 388.424 2.839 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)ccc2O1 19497910 JLHNUKNEMNNPFG-HNNXBMFYSA-N 392.503 2.808 0 40 GFAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 19711112 MPOJNVWXALYWME-KRWDZBQOSA-N 392.507 2.544 0 40 GFAB Cc1cc(C)nc(N2CCC(CC(=O)N[C@H](c3nccn3C)C3CC3)CC2)n1 19748758 BLDFXGKTZXVNPH-IBGZPJMESA-N 382.512 2.701 0 40 GFAB O=C(Cn1cccc(C(=O)NCC2CC2)c1=O)NC1(c2ccccc2)CCCC1 19749935 GJIKZPCXMYKRNK-UHFFFAOYSA-N 393.487 2.574 0 40 GFAB CCOc1cccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)c1 20064521 VPRFEWSVPBFQLK-GOSISDBHSA-N 398.459 2.567 0 40 GFAB Cc1ccc(NC(=O)C[C@H]2N=C(NC(=N)Nc3ccccc3)N=C2O)c(F)c1 22607416 ZDUUTCBHQLLSEU-OAHLLOKOSA-N 382.399 2.794 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 23873003 GFHFBKOTVSQIHM-UHFFFAOYSA-N 387.530 2.944 0 40 GFAB CCc1ccc(-c2noc(CSc3nnc(CCC(N)=O)n3C3CC3)n2)cc1 24973500 HZCYKOOABYJUDQ-UHFFFAOYSA-N 398.492 2.936 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)cnc21 25093441 CILGMOIYLRVBRE-CVEARBPZSA-N 386.496 2.830 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)NCCc3cn4ccccc4n3)CC2=O)c1C 25529966 PCRFWFOGFQMELS-QGZVFWFLSA-N 376.460 2.663 0 40 GFAB Cc1cccc([C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)N2CCOCC2)c1 29420495 VRUNOZZYCZPCJU-OAQYLSRUSA-N 393.487 2.683 0 40 GFAB C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 32654893 OCNVLSUFQPWFFN-CYBMUJFWSA-N 384.867 2.886 0 40 GFAB Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)sc2nc[nH]c(=O)c12 33073362 RWKYSBDOVOATGX-UHFFFAOYSA-N 382.489 2.687 0 40 GFAB O=C(CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NC1CCCCCC1 41253829 QTMBLUYPUNHPGL-UHFFFAOYSA-N 383.448 2.868 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3nnc4ccccn34)C2)c1 45020695 OTRLAQOFSPMADC-MRXNPFEDSA-N 377.448 2.837 0 40 GFAB COc1ccc2c(ccn2CC(=O)NCC2(N3CCOCC3)CCCCC2)c1 46767266 PKLDRYFSCQCPHA-UHFFFAOYSA-N 385.508 2.801 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 48110431 ZZESZSLVNHGVAO-LBPRGKRZSA-N 384.457 2.940 0 40 GFAB CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1 48647589 UBICCQJMCUIXDT-UHFFFAOYSA-N 378.432 2.732 0 40 GFAB CCc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nccn2c1=O 49008160 QTZRFTZRVPHPRJ-UHFFFAOYSA-N 389.415 2.884 0 40 GFAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 55612121 PTNSYSNPBKOKSI-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 57485847 BTGMBVBYEYEXPF-UHFFFAOYSA-N 379.388 2.552 0 40 GFAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)cc1C 57491260 ALRZMYDHVJJBPZ-UHFFFAOYSA-N 385.489 2.745 0 40 GFAB CC(=O)N[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 57926884 GHDAPSYQYNESJL-OAQYLSRUSA-N 393.487 2.675 0 40 GFAB COCCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cn1 58139789 QOQXYRYXQKIRCR-MRXNPFEDSA-N 398.463 2.989 0 40 GFAB O=C1[C@H](n2cnnn2)[C@@H](c2ccc3c(c2)CCO3)N1Cc1ccc(Cl)cc1 58152011 RTFBWEKOIGZHJJ-QZTJIDSGSA-N 381.823 2.586 0 40 GFAB CN([C@H](C(N)=O)c1cccc(F)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 58279006 UFWLBCQCUAZVHT-KRWDZBQOSA-N 378.469 2.970 0 40 GFAB CC(C)CN1C(=O)c2ccc(C(=O)Nc3c4c(nn3C)CSC4)cc2C1=O 61721281 XGNXBLGZVNZYFE-UHFFFAOYSA-N 384.461 2.671 0 40 GFAB CS(=O)(=O)N1CCC[C@H](NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)C1 62303437 KGVXJTCGGJOWOP-MARXPDLDSA-N 392.452 2.639 0 40 GFAB NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)cc21 64489475 WDJBWAWQDDIGGH-JKSUJKDBSA-N 391.880 2.648 0 40 GFAB CN1CCN(C(=O)C2(NC(=O)Cc3ccc4ccccc4c3)CCCC2)CC1 65585638 QCVYPTYGFNBZTG-UHFFFAOYSA-N 379.504 2.585 0 40 GFAB O=C(c1cnc2ccc(Cl)cc2c1N1CCSCC1)N1CCOCC1 67288042 BRJSSTUFXBKNMA-UHFFFAOYSA-N 377.897 2.914 0 40 GFAB C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C[C@H](c2ccccc2)O1 67556283 CPZUIOYDIPUXGH-VQIMIIECSA-N 390.443 2.799 0 40 GFAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cnc(C)cn2)C1 72352418 FBYJKCFLFBYNDJ-ZDUSSCGKSA-N 380.473 2.989 0 40 GFAB O=C(Nc1cccnc1-n1cc(Cl)cn1)[C@H]1CC(=O)N(c2ccccc2)C1 72403093 NLNPAKNPFMKHDZ-ZDUSSCGKSA-N 381.823 2.912 0 40 GFAB O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 90612626 JBQYOKLLXXEBTP-AWEZNQCLSA-N 387.816 2.610 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@H](O)c2ccco2)c(Cl)c1 95462042 YKJRZNPSVYBDDK-MFKMUULPSA-N 387.841 2.510 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cccc4ccccc34)no2)cn1 96001804 USPNMTUNERWDAJ-GOSISDBHSA-N 389.415 2.837 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)cc1C 96098925 BUXHWIVSDWOTBN-UHFFFAOYSA-N 386.477 2.631 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc(F)c1 96518286 VRFRXHDZLMOMMO-SNVBAGLBSA-N 390.601 2.771 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4c(F)cccc4Cl)[C@@H]3C2=O)cc1 101167080 YCDYCTSTZLKMNI-HOTGVXAUSA-N 388.786 2.981 0 40 GFAB Cc1ccc2oc(N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)nc2c1 106095562 ZAARWNQSXRMTLX-UHFFFAOYSA-N 394.431 2.626 0 40 GFAB CCOc1ccnc(N2CCN(Cc3ncc(-c4ccc(OC)cc4)o3)CC2)n1 106151998 ZZLXAFIUDOOSEC-UHFFFAOYSA-N 395.463 2.861 0 40 GFAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217452768 SYDXGAHCWRYBOT-ZDUSSCGKSA-N 384.498 2.833 0 40 GFAB CN(CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccccc1 222521029 UTOYZJDFLVCESV-UHFFFAOYSA-N 395.912 2.602 0 40 GFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 222904704 ISAGBCZAOFYFSN-AWEZNQCLSA-N 386.423 2.998 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 222936747 ZSLUUKCOQPHVQU-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222997660 JUHOUEKFSHQQOD-RBUKOAKNSA-N 379.489 2.886 0 40 GFAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)nc1 223566457 RIMXLEWUUBHWAR-OALUTQOASA-N 379.489 2.541 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC(C)C)ccc2C)cc1 224320540 NJAGEIGEZKBXKZ-UHFFFAOYSA-N 376.478 2.967 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)s1 225317471 USNSVGBOIKASFQ-LLVKDONJSA-N 381.479 2.826 0 40 GFAB O=S(=O)(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc(-n2cccn2)cc1 225625198 VHCYHJKGOXDDHR-HXUWFJFHSA-N 398.488 2.714 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc3ccccc23)cc1 226035212 DJPJAYSERYMAHU-UHFFFAOYSA-N 398.484 2.785 0 40 GFAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 226860880 VYBNGBKAQAPUGW-LBPRGKRZSA-N 376.906 2.827 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257210739 BVYLHJPMOUZPFY-LJQANCHMSA-N 398.478 2.725 0 40 GFAB O=C(O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccn1)c1ccco1 257235527 GYFDTXGFQUGAST-SFHVURJKSA-N 380.356 2.618 0 40 GFAB Cc1cccc(C(=O)N2CCC(Cc3cc(-c4nccn4C)ncn3)CC2)n1 257275926 NROSZFKHLMCNNZ-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB COCCOCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3OC)o2)C1 257327244 XAPXRGDYVQPAPF-KRWDZBQOSA-N 388.464 2.643 0 40 GFAB COc1ccc(NC(=O)C[C@@H]2C(=O)OCN2C(=O)OCc2ccccc2)cc1 408736551 CJNSBQAYFVXVDW-QGZVFWFLSA-N 384.388 2.546 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 409027691 GIUHDUNXUTUHRN-HNNXBMFYSA-N 380.510 2.856 0 40 GFAB O=C(NCc1cccc(N2CCOCC2)c1)c1cnn(-c2ccccc2F)c1 554537324 MDICIFGQNDISNY-UHFFFAOYSA-N 380.423 2.778 0 40 GFAB O=C(C1=Cc2ccccc2OC1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575415031 WNBJLSRULQWFET-SFHVURJKSA-N 389.498 2.912 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)nn1C1CCCCC1 580039955 ILHZCYGJYPJATF-MAUKXSAKSA-N 386.500 3.472 0 40 GFAB CS(=O)(=O)c1csc(C(=O)N(Cc2ccccc2)CC2(CO)CC2)c1 585082122 JRXGCGAEVSLSJV-UHFFFAOYSA-N 379.503 2.567 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cnc3c(F)cccc3c1)C2=O 618032933 XTRYJIHSEXLUQB-MPBGBICISA-N 384.411 2.813 0 40 GFAB N[C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 652375126 JGTQWIWMVUIYCT-NJZAAPMLSA-N 393.336 2.900 0 40 GFAB C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H]2CCOC2)CCO1 670329934 GPVHZWKIOVLVBI-HZPDHXFCSA-N 381.480 2.698 0 40 GFAB CCOc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)cn1 1888919574 VSRDUNXESWYAES-IRXDYDNUSA-N 391.475 2.575 0 40 GFAB COc1ccnc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 2087043804 OXMBHONBNWGAMP-UHFFFAOYSA-N 381.484 2.542 0 40 GFAB CCOC(=O)C1CCN(C(=O)COc2ccc(Br)c(C)c2)CC1 723690 SKNOSIXCHKJYMP-UHFFFAOYSA-N 384.270 2.938 0 40 GFAB COc1cccc(C2=NN(C(=O)c3ccccc3O)[C@@](O)(C(F)(F)F)C2)c1 910764 BSJLFAQOHYZLKR-KRWDZBQOSA-N 380.322 2.902 0 40 GFAB O=C(O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 2139929 HQURCQXSIORDKI-MSOLQXFVSA-N 382.416 2.730 0 40 GFAB biogenic CCCC[C@H](NC(=O)COc1ccc2c(CCC)cc(=O)oc2c1)C(=O)O 2147695 AFYRLTWTNUGFLK-INIZCTEOSA-N 375.421 2.884 0 40 GFAB biogenic C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Cl)cc1Cl 3332558 KULUOENVBSXYSH-XLFHBGCDSA-N 384.263 2.891 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c1 3444211 GUQGKJJEYLYWQG-UHFFFAOYSA-N 387.457 2.696 0 40 GFAB COCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 4133191 BKNWLAMXKRHBGB-UHFFFAOYSA-N 389.521 2.802 0 40 GFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccnc2)c1 4414391 IPALCXPQXFZPIB-SFHVURJKSA-N 392.419 2.618 0 40 GFAB C[C@@H](CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCN(c2ccccn2)CC1 4724871 TVZXBPHFFSXNEV-INIZCTEOSA-N 384.455 2.924 0 40 GFAB CC(C)CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791576 SMXYPCGZFLHOLZ-UHFFFAOYSA-N 379.460 2.708 0 40 GFAB CCCC[n+]1nn(-c2cccc(OC)c2)c(O)c1C(=O)Nc1cccc(OC)c1 5274777 WKPKFALKCHPDQN-UHFFFAOYSA-O 397.455 2.935 0 40 GFAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccnc2)CSC3)cc1 5381088 PVEOIPMITYWKDX-UHFFFAOYSA-N 393.472 2.577 0 40 GFAB COc1cccc(COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 6649977 CVTMCFLZUTWDLH-UHFFFAOYSA-N 383.853 2.713 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(C)c1 7604548 MDXSOBYLTPIQTE-UHFFFAOYSA-N 398.431 2.979 0 40 GFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cn2cc(Cl)ccc2n1 7738454 JWVMBCDOAGEKQT-IBGZPJMESA-N 382.807 2.718 0 40 GFAB C[C@]1(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCS(=O)(=O)C1 8038563 TVGDPJJUEJPNEL-INIZCTEOSA-N 384.910 2.699 0 40 GFAB COc1ccc(NC(=O)N[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1 8156611 HKMYLSDUWCRNQX-KRWDZBQOSA-N 393.440 2.767 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 8412287 ZYPHBAKZZVIWGS-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB CCOc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 8767007 BLSUHZGLCNPEGX-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cccc(Cl)c2)no1 9155493 CLQASGRFOUBYNY-UHFFFAOYSA-N 375.793 2.735 0 40 GFAB Cc1cc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nc2c(C)cccc12 9547194 PKKLYEPVTNMAQA-UHFFFAOYSA-N 396.472 2.594 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1 9822977 VNNGBXSYXKYBTH-OAHLLOKOSA-N 384.379 2.571 0 40 GFAB NC(=O)NC(=O)[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1 10026739 ZLVASAYJZLHQKR-OAHLLOKOSA-N 394.460 2.703 0 40 GFAB Cn1c(COc2ccc(Cl)cc2C(=O)Nc2ccccc2)cc(=O)n(C)c1=O 10281204 MASOARUJWLGMKL-UHFFFAOYSA-N 399.834 2.569 0 40 GFAB CC(C)c1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)n1C1CC1 10925044 DRTSBYKAPBKADP-UHFFFAOYSA-N 392.506 2.673 0 40 GFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cn2cncn2)cc1 11289574 LIVMCSJASZBAIR-UHFFFAOYSA-N 386.419 2.567 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@@H]([C@H](NC(C)=O)c2nccs2)C1 12157904 VUJQQKABHJOQMF-APWZRJJASA-N 387.505 2.810 0 40 GFAB COc1ccc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cc1OC 12185076 ZMFUOQSXQLFVEZ-UHFFFAOYSA-N 398.507 2.582 0 40 GFAB COc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1F 12813142 APGUXMUSORESTN-UHFFFAOYSA-N 396.459 2.621 0 40 GFAB Cc1cc(=O)n2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)sc2n1 12814128 QDWUPQFOEIZHOM-ZDUSSCGKSA-N 376.507 2.702 0 40 GFAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)C4CC4)CC3)c12 12996743 CODWHHWJWVAOHB-UHFFFAOYSA-N 390.443 2.893 0 40 GFAB O=C(CSc1ccccn1)NCCc1cc2nc(-c3ccncc3)ccn2n1 13267915 PBXJPLTXMUPJOC-UHFFFAOYSA-N 390.472 2.637 0 40 GFAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 14017619 HCKGKGPRBLFESV-UHFFFAOYSA-N 389.502 2.692 0 40 GFAB CC(=O)N[C@@H](CC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(C)cc1 15816416 XMJNLOBBLCMJGB-IBGZPJMESA-N 388.489 2.913 0 40 GFAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16695726 KCNYGSSHLFTDMT-KDOFPFPSSA-N 384.480 2.572 0 40 GFAB O=C(O)[C@H]1C[C@@H](O)CN1C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 16807971 SLPCMDWYAIFTRV-MTBNTBEFSA-N 399.487 2.580 0 40 GFAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19448279 PJRTXSDZABUZAG-LJQANCHMSA-N 398.482 2.582 0 40 GFAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19448299 HPFMJTIDJJHBJI-GOSISDBHSA-N 384.455 2.653 0 40 GFAB COc1cccc(CN2C[C@@H](c3cccc(F)c3)[C@@]3(COCCC(=O)N3)C2)c1 19565522 NLIVYXVSEVLSNY-UNMCSNQZSA-N 384.451 2.709 0 40 GFAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 20459744 CDJCLMCNRKFODS-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(F)cc1F 21023931 AIMMHMVWCDDZLO-UHFFFAOYSA-N 399.332 2.614 0 40 GFAB CCc1nc2sc([C@H](c3ccccc3F)N3CCC(O)CC3)c(O)n2n1 22855175 MXRRWTQBFKPCIR-HNNXBMFYSA-N 376.457 2.744 0 40 GFAB CC(=O)Nc1ccc(F)c(NC(=O)CCn2nc(-c3cccs3)oc2=O)c1 23003514 BIAKCSSNMLKGNN-UHFFFAOYSA-N 390.396 2.691 0 40 GFAB COC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(C)=O)cc1 24477549 QZYWDTSLUHOPOP-UHFFFAOYSA-N 375.446 2.643 0 40 GFAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1cccc2nsnc12 25383931 LPVWVSZYRIHDCD-FNORWQNLSA-N 383.385 2.615 0 40 GFAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@H](C)O[C@@H](C)C3)n2)cc1C 28218711 NIVBRLITHDHJOQ-IRXDYDNUSA-N 398.511 2.682 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C2SCCCS2)c1 32711549 PGWAJXLUCBVXBZ-AWEZNQCLSA-N 386.564 2.918 0 40 GFAB Cc1nn(C)c2ncc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)cc12 32909702 RHKIBURCUFTUHJ-UHFFFAOYSA-N 397.866 2.528 0 40 GFAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1Cc1ccccc1 35286951 FNLFIDMRZQEEDB-UHFFFAOYSA-N 377.488 2.770 0 40 GFAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N2CCN(C)CC2)cn1 36394801 UOOWVOLJJAHTFF-UHFFFAOYSA-N 391.475 2.978 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccccc21 38833914 QYLAGNOSKORNSG-INIZCTEOSA-N 380.853 2.896 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 40068998 KVPBCKQUQVNLOV-INIZCTEOSA-N 386.496 2.562 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 40153993 JGYYSRZJEVGLMV-CYBMUJFWSA-N 378.388 2.684 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)CC2=O)c1C 40155256 XSHXGCWYCNONCL-NQIIRXRSSA-N 393.487 2.602 0 40 GFAB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 40156788 OFWDOILLTOCKSB-UHFFFAOYSA-N 377.418 2.955 0 40 GFAB O=C1C[C@H](C(=O)NC2CCCCC2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399783 OQHUDOYWVAWANE-AWEZNQCLSA-N 399.426 2.527 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(F)c2)c1=O 40478549 USDAIMUMUJBMKL-UHFFFAOYSA-N 399.422 2.750 0 40 GFAB C[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1nnc2ccccc2c1=O 44450401 IJLPXUBOIUEPFK-NSHDSACASA-N 378.417 2.510 0 40 GFAB C[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 45498603 PHUVNWTUMLULDX-INIZCTEOSA-N 393.487 2.513 0 40 GFAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC(=O)N3CCCCC3)c12 45850909 NUBVZVMWEQYDMT-UHFFFAOYSA-N 378.432 2.941 0 40 GFAB Cc1ccc2nc(COc3cccc(C(=O)NCCC(=O)NC(C)C)c3)cn2c1 45920454 MFRWUAIBEGQSMQ-UHFFFAOYSA-N 394.475 2.866 0 40 GFAB O=C(NCCS(=O)(=O)c1ccccc1)c1cc2c(nc3sccn32)s1 47422707 MVMIVEGUZTUHLM-UHFFFAOYSA-N 391.499 2.814 0 40 GFAB O=S(=O)(NCCN1CCCCC1)C1=Cc2ccc(OC(F)F)cc2CC1 51136155 CJAVFCGPFYSKPF-UHFFFAOYSA-N 386.464 2.980 0 40 GFAB COc1ccccc1C1(CNC(=O)c2cccnc2-n2cncn2)CCCC1 53271818 LZTFHKAJYXMSES-UHFFFAOYSA-N 377.448 2.913 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC(=O)C(=O)Nc1ccccc1 56378203 LFXXVVZELOPZEP-HZPDHXFCSA-N 375.469 2.967 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCCc3ccccc32)c1=O 57477431 OAUWVPLZYCFLFZ-UHFFFAOYSA-N 377.444 2.553 0 40 GFAB CC(C)(CNC(=O)C(=O)Nc1ccccc1-n1cncn1)c1cccc(Cl)c1 57698488 IOFPJWMCSFBVNJ-UHFFFAOYSA-N 397.866 2.953 0 40 GFAB C[C@@H](CN1CCCC1=O)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 66627441 SKVDKXLSZGNUFQ-AWEZNQCLSA-N 386.521 2.640 0 40 GFAB O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCN(c2ccccc2)C1=O 68204108 CBZUUUJPBWNVHM-CQSZACIVSA-N 382.445 2.652 0 40 GFAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)c2cc[nH]n2)c1 72377115 XOHUHLVXWHSNED-KRWDZBQOSA-N 378.436 2.825 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c1 72402540 ZHPUMVVQKXXJTJ-UHFFFAOYSA-N 396.472 2.995 0 40 GFAB Cn1nnn(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1=O 77100103 DOUQBWWLRROWJI-UHFFFAOYSA-N 378.314 2.629 0 40 GFAB CNC(=O)C1(NCC(=O)Nc2ccc(C)cc2Br)CCCCC1 79023268 QGJYHGRKXQDWHH-UHFFFAOYSA-N 382.302 2.735 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)c(C)o1 84081502 POVOAGMKHVXJPS-UHFFFAOYSA-N 395.459 2.769 0 40 GFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c(O)c(OC)c1 85412920 YULFLJNZBMDUAQ-BEFAXECRSA-N 398.367 2.582 0 40 GFAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)cc1 95475944 OVYHAUKMNZALLL-UHFFFAOYSA-N 375.388 2.888 0 40 GFAB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(CN2CCCC2)cc1 95957378 BCHKSCLZJLZPLQ-LJQANCHMSA-N 389.565 2.960 0 40 GFAB O=C(CCc1cc(Cl)no1)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119233 JUJYKXUIRLJEIZ-STQMWFEESA-N 398.850 2.586 0 40 GFAB COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 100204779 HCESIQRAMXQCCX-WGVHSKNFSA-N 388.423 2.870 0 40 GFAB Cc1nc2cc([C@@H]3CCN(C(C)C)C3)nn2c(O)c1CCC(=O)N1CCCCC1 100685944 MWXYOWIDUHUCGZ-QGZVFWFLSA-N 399.539 2.886 0 40 GFAB CCc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(C)=O)C2=O)cc1 100750641 HZVZVUYTAKMEBM-OAQYLSRUSA-N 394.471 2.981 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3C(c4ccccc4Cl)=NO[C@H]3C2=O)cc1 101592248 SCGQRHGURMXRJU-DOTOQJQBSA-N 384.775 2.558 0 40 GFAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 113957062 UQBTVIIZABKZHN-CQSZACIVSA-N 394.468 2.695 0 40 GFAB O=C(O)c1ccc(NC2CCCCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217498044 NTLWYBSZHDYMTN-HNNXBMFYSA-N 382.482 2.587 0 40 GFAB C[C@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220442277 YCONCPRIYOFNPS-CYBMUJFWSA-N 382.432 2.778 0 40 GFAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 223246743 MBTHPZFDETVYNM-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CSc1ncccc1C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780304 XSNNVYNZJSIRFU-UHFFFAOYSA-N 386.864 2.663 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225837701 RDYRGXXGNUIRLC-UHFFFAOYSA-N 384.483 2.722 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCN1CCCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253595662 HENRGOQCCGDMFN-XXXPQLKYSA-N 397.519 2.543 0 40 GFAB CNc1cc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(CN(C)C)n(C)n3)CC2)ccn1 257205959 BBGHPFGSZXUNED-QAQDUYKDSA-N 398.555 2.964 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257256222 KKNHPZMMYYPUSB-OAHLLOKOSA-N 375.856 2.761 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2c(C)n[nH]c2C)CC1 257342959 ZQTLZKFHDLAOKZ-SPEDKVCISA-N 397.523 2.764 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@H]1C2 306131088 JWDBWYNCCMBXFT-ZIAGYGMSSA-N 381.411 2.567 0 40 GFAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C(=O)O)c3)n2)cc1 408544631 WBEDVQNBRWSFQT-UHFFFAOYSA-N 384.417 2.909 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C)cc1)c1ccc2c(c1)OCO2 408702070 BDTZXPCUOYRATC-UHFFFAOYSA-N 376.434 2.519 0 40 GFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccccc1I 408759014 WLTLCAWGSNRSSL-MUAIWGBPSA-N 391.208 2.849 0 40 GFAB C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CCN(C2CCC2)C1 515114761 ATGQMZZTMYCYNQ-GOSISDBHSA-N 385.556 2.817 0 40 GFAB C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Cn1cnc2ccccc21 542821296 GPVLZWVIRQTVAE-IBGZPJMESA-N 392.503 2.786 0 40 GFAB COC1(c2nc(-c3ccccn3)no2)CCN(Cc2nnc(C)n2C2CC2)CC1 574827560 OOEXFXKISLDGCS-UHFFFAOYSA-N 395.467 2.504 0 40 GFAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 575402782 BXCGGYWXJXOFRF-INIZCTEOSA-N 378.432 2.719 0 40 GFAB CC(C)c1ccc(-c2csc(N3C(=O)N[C@@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 575424453 AKSKHJYFZRRVMG-CABCVRRESA-N 377.491 2.629 0 40 GFAB CCc1nn(C)cc1CN1CCC(OC)(c2nc(CC(F)(F)F)no2)CC1 583615841 BXXQEQGXSUVJNZ-UHFFFAOYSA-N 387.406 2.608 0 40 GFAB COc1cccc(N2CCC[C@@H](NC(=O)c3ccc4cnc(C)n4c3)C2=O)c1 585080930 WTYGLCYTGFOAHG-LJQANCHMSA-N 378.432 2.577 0 40 GFAB COc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111170 HNWAPLSYUBXZGL-HXUWFJFHSA-N 377.444 2.984 0 40 GFAB O=S(=O)(NCc1nccnc1-c1ccncc1)c1ccc2c(c1)CCCC2 585150640 AMAKUMDAYKZGNJ-UHFFFAOYSA-N 380.473 2.896 0 40 GFAB C[C@H](NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)c1cccnc1 601882081 AWPILBZPLXLNKA-KXBFYZLASA-N 388.899 2.857 0 40 GFAB COc1ccccc1[C@H](CNC(=O)N1CC[C@H](C(=O)O)[C@@H](C)C1)N1CCCC1 626744066 BDACCZGYWNHVSN-BQFCYCMXSA-N 389.496 2.584 0 40 GFAB COc1nc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)co1 626858121 YLCLDDIVMVIWMU-UHFFFAOYSA-N 398.232 2.543 0 40 GFAB CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)[C@@H](C(=O)O)C(C)(C)C)cc2)C1 663108550 SUYIRYZLWUHBGE-IRXDYDNUSA-N 389.496 2.538 0 40 GFAB Cc1cccc2nc(CCNC(=O)N[C@@H]3CCO[C@H]3c3cnn(C(C)C)c3)cn12 665216591 IJKSLDKNPRAIAY-QUCCMNQESA-N 396.495 2.792 0 40 GFAB C[S@@](=O)c1ccc(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1 1123650113 YMAPLIHSWWSVGI-RMKBEBRYSA-N 380.416 2.505 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCN([C@H]3CCSC3)CC2)cc1Cl 1565522423 HYAOZRFAZJCQJU-ZDUSSCGKSA-N 390.958 2.551 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CC(COc4cccnc4)C3)CC2=O)cc1C 1775996223 CNGGFAAIKLUUST-GOSISDBHSA-N 379.460 2.589 0 40 GFAB O=C([C@@H]1CN(c2ccc3ccc(Br)cc3n2)CCO1)N1CCCC1 1889148723 HRHCMEGYBOMVME-INIZCTEOSA-N 390.281 2.825 0 40 GFAB Cn1ccnc1S(=O)(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890718156 LNDVUYXPRYGMBI-UHFFFAOYSA-N 391.884 2.585 0 40 GFAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccc(Cl)c2)C1 2055747300 XZTWMUPNJPVDPP-BMGDILEWSA-N 388.851 2.869 0 40 GFAB CC1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)n2C)CC1 9096179 LKKGKHPLULACRO-UHFFFAOYSA-N 388.493 2.604 0 40 GFAB C[C@H]1CN(CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 23111033 YLOGEJDRTNFZAO-OKILXGFUSA-N 392.887 2.548 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 4839359 FHQITKDTJFHFCK-QIYXJHPLSA-N 380.444 2.761 0 40 GFAB FC(F)(F)c1ccccc1OCCNCc1cnc(N2CCOCC2)nc1 106470236 PPSSXAVVAJJYCG-UHFFFAOYSA-N 382.386 2.501 0 40 GFAB Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 25062262 GGTZTDQSUPVTEN-UHFFFAOYSA-N 375.494 2.681 0 40 GFAB O=C(Nc1cccc(Br)c1)c1ccc(CN2C(=O)CNC2=O)cc1 25375587 LUKODJQTXRLKFU-UHFFFAOYSA-N 388.221 2.753 0 40 GFAB CCN1CCN(c2ccccc2NC(=O)CCNC(=O)c2cccc(C)c2)CC1 12642030 HRPKYDYYMRCYTJ-UHFFFAOYSA-N 394.519 2.896 0 40 GFAB Cc1ccc(-c2csc3ncnc(N4CCN(CC(=O)N(C)C)CC4)c23)cc1 57584507 PQOGBAGNNBHTPG-UHFFFAOYSA-N 395.532 2.877 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 12649261 OSDWKMHOYGNYJT-UHFFFAOYSA-N 375.431 2.793 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1OC(F)F 10114715 BXHOYRCOPIYZGC-UHFFFAOYSA-N 375.379 2.592 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 58283473 MRKAWECRIYHUIO-SJORKVTESA-N 379.298 2.927 0 40 GFAB COc1cccc(CC(=O)N2CCC(NC(=O)c3cc(Cl)c[nH]3)CC2)c1 58225431 FHFVBIDCCFHCLM-UHFFFAOYSA-N 375.856 2.640 0 40 GFAB Cc1nn(C)cc1S(=O)(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 57823207 XTXOSOIFEFNKRO-UHFFFAOYSA-N 392.525 2.640 0 40 GFAB O=C(O)c1cccc(CN2C(=O)S[C@H](Nc3ccccc3C(=O)O)C2=O)c1 2200894 GQCYLVQJKNWZTR-AWEZNQCLSA-N 386.385 2.717 0 40 GFAB Cc1cc(N[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)ccc1N1CCCC1=O 10748254 OBBKAZOMNZDPJO-HNNXBMFYSA-N 392.459 2.908 0 40 GFAB COc1cc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c(OC)cc1Cl 10925975 OBUULKISPWVCGT-UHFFFAOYSA-N 395.824 2.874 0 40 GFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)C1 48356260 MOTBFXWKWCZGSS-CALCHBBNSA-N 383.492 2.804 0 40 GFAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(S(C)(=O)=O)cc1 48375362 CYQUFENATRPFDH-INIZCTEOSA-N 389.473 2.782 0 40 GFAB Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 12898314 RMVVAMGZYXCPPZ-UHFFFAOYSA-N 383.473 2.828 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3N3CCCN23)cc1 102677546 VIWZXRJBDUVHCE-HSALFYBXSA-N 377.444 2.539 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N(C)CCOc2cc(C)cc(C)c2)c1 24363286 QUHOZTSVUVVIHW-UHFFFAOYSA-N 377.462 2.790 0 40 GFAB O=C(NCc1cccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2636011 QKWZJFYIMHLPDP-UHFFFAOYSA-N 376.459 2.750 0 40 GFAB O=C1CN(C(=O)COC(=O)c2cc3ccccc3cc2O)c2ccccc2N1 3523555 ZXHFERAALZKOPN-UHFFFAOYSA-N 376.368 2.688 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CSc2nnnn2-c2ccccc2)c(C)c1 3503976 KILZWNIBDGOVPF-UHFFFAOYSA-N 382.449 2.720 0 40 GFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(C(=O)c2ccco2)CC1 12911215 FLZLNHJVVZZLEO-UHFFFAOYSA-N 384.432 2.562 0 40 GFAB COc1ccc([C@@H](CNc2ccc3nnc(C(F)(F)F)n3n2)N(C)C)cc1 12908056 QMIVBBMLJCKIQH-CYBMUJFWSA-N 380.374 2.867 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 13005684 FJJXEFRPJMZOII-UHFFFAOYSA-N 386.517 2.749 0 40 GFAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](C(=O)O)c1ccccc1 4025832 QUYWHDBFNWGGHF-OAQYLSRUSA-N 395.411 2.985 0 40 GFAB biogenic Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 13689013 HTZCYCPMVIUMJE-UHFFFAOYSA-N 381.314 2.608 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)N[C@H]1CCCOc2ccc(F)cc21 64808032 VTEKBCFNWWAGGV-INIZCTEOSA-N 384.407 2.971 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)cc1 4393894 OEISYTLETUEAQS-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB CN(C)CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 65515771 IWMJPMPYSCMNGE-UHFFFAOYSA-N 377.492 2.560 0 40 GFAB COc1cccc(-c2nnn([C@@H](C(=O)N3CCCCC3)c3ccccc3)n2)c1 14184258 IPWSECYORSCJGJ-LJQANCHMSA-N 377.448 2.951 0 40 GFAB O=C(Nc1ccccc1Cc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 6601086 SXCFWVVKKZPPPD-UHFFFAOYSA-N 393.468 2.714 0 40 GFAB COc1cc(C(=O)NCCNC(=O)c2cc3ccccc3o2)cc(OC)c1OC 9484812 CBDLKEKSTIRFLU-UHFFFAOYSA-N 398.415 2.618 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)nc1C 4998708 IMDXRKRGPSHEQS-CYBMUJFWSA-N 387.461 2.928 0 40 GFAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 15385175 ADSLPGNLGCAZDD-UHFFFAOYSA-N 394.493 2.694 0 40 GFAB CNC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2O1 7253020 SHBCHZGFSUFAOX-MRXNPFEDSA-N 394.258 2.946 0 40 GFAB CNC(=O)[C@H]1CN(CC(=O)Nc2c(C)cc(C)cc2Cl)c2ccccc2O1 7255124 VSPNCPJMJDDMRX-QGZVFWFLSA-N 387.867 2.909 0 40 GFAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 7652885 WYTYBTHKCZKPPE-QMMMGPOBSA-N 396.230 2.597 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@@H](NC(C)=O)c1ccccc1 7810802 PRXCAVSFUOFAOX-LJQANCHMSA-N 392.459 2.539 0 40 GFAB CC(C)Cc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 9698753 DYYHLLCBZRJZAV-AWEZNQCLSA-N 390.484 2.905 0 40 GFAB O=C(NO[C@H]1CCCCO1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 72059956 XYKPFIQBXBGFNG-CABCVRRESA-N 397.269 2.628 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)c1 8917672 BYEWYLUEBDZWLE-GOSISDBHSA-N 391.464 2.729 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230938 AHEGGEOZQGHXQF-MRXNPFEDSA-N 390.505 2.946 0 40 GFAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 306138124 RPVYTRKQMULVPO-ICSRJNTNSA-N 392.927 2.710 0 40 GFAB Cn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)ccc1=O 72354904 JSZHWZVGOFTSJR-QGZVFWFLSA-N 393.422 2.541 0 40 GFAB C[C@@H](Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)NC1CCCCC1 408591408 MBGOELAPDVZMMZ-CQSZACIVSA-N 382.526 2.980 0 40 GFAB CN(C(=O)c1cccc(OCc2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 39996819 YVHCNFBTUVKTHV-KRWDZBQOSA-N 377.437 2.664 0 40 GFAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccccc1N1CCCCC1 72346335 SXFSUVIIDWQVIF-UHFFFAOYSA-N 394.519 2.994 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCCC1 33018925 JMJXFKNMINOLSZ-KRWDZBQOSA-N 384.567 2.798 0 40 GFAB CCOC(=O)c1cnn2ccc(NCc3cn(-c4ccc(F)cc4)nn3)cc12 1561021320 IDGKIUVFYNRFDK-UHFFFAOYSA-N 380.383 2.843 0 40 GFAB COc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 71279334 UZSFTDZJKJFDQJ-GXTWGEPZSA-N 375.450 2.683 0 40 GFAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 1565522849 TZJUTMTVJYWGNI-UHFFFAOYSA-N 390.281 2.867 0 40 GFAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 72349203 CIYCHQJQRAAJIX-KRWDZBQOSA-N 387.443 2.657 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccncc3)C2)cc1 72345951 ZAMIOBQTWYYTEH-SFHVURJKSA-N 388.475 2.599 0 40 GFAB Cc1nc([C@H]2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)C2)n[nH]1 565293508 JDZIXGIFAJUFGH-JTQLQIEISA-N 389.872 2.728 0 40 GFAB COC(=O)CSc1nnc(NC(=O)c2ccc(Br)cc2)s1 223457878 DJUXRZYULSOHJX-UHFFFAOYSA-N 388.268 2.818 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)ccc1-n1cccn1 569566372 SSLDIGKHPBACRE-KRWDZBQOSA-N 381.436 2.901 0 40 GFAB COc1ccc(CN(C)C(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222550597 GURFUNGIFWRFFW-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220628700 RTONWVOVFYDHDV-IBGZPJMESA-N 390.505 2.865 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cccc(C)c3C)ccc21 223964943 OALPOYDBMBGHCK-UHFFFAOYSA-N 388.489 2.570 0 40 GFAB COc1ccc(CNC(=S)Nc2ccc3c(c2)OCO3)c(OC)c1OC 225525833 BJUQDKPRRTYDAB-UHFFFAOYSA-N 376.434 2.928 0 40 GFAB CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C 225930067 VNBFIAIEDQHTNS-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2)cc1 223254249 OUKFQNDGJVHUQV-CQSZACIVSA-N 378.519 2.906 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)cc12 89568220 BCJKYIGOBZEUIQ-GOSISDBHSA-N 387.447 2.827 0 40 GFAB CC(C)CSc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 224831752 QCWPGFJLNRUBIN-UHFFFAOYSA-N 386.524 2.910 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4[nH]3)n[nH]2)cc1OC 95473568 KVVYHNFIGBGIJH-UHFFFAOYSA-N 391.431 2.943 0 40 GFAB O=C(Cn1cccnc1=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257305094 SOKMMAZVNGYNSC-SFHVURJKSA-N 378.432 2.576 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(CCCc2ccccc2)CC[C@@]1(C)O 604382370 PLPVTHQDPLTIIS-KMDXXIMOSA-N 396.531 2.948 0 40 GFAB biogenic,in-vitro Cc1noc(C)c1-c1cc(CC[C@@H]2CN(C(=O)c3cscn3)CCO2)ncn1 257199877 ABCQNNGACZFHDH-OAHLLOKOSA-N 399.476 2.679 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)o1 253596204 OJUWJIOYUHTATG-QGUZNEQPSA-N 394.475 2.977 0 40 GFAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3CCCO3)CC2)nn1C 257311666 UKOJRRYWYCQYHE-LNLFQRSKSA-N 376.545 2.783 0 40 GFAB C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H]2CCCO2)CCO1 670294379 PWBIHOABPYRIEZ-CVEARBPZSA-N 381.480 2.841 0 40 GFAB Cc1cc(C)cc(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1 585288073 VLYMCZNCUOEMGC-UNMCSNQZSA-N 377.525 2.565 0 40 GFAB CN(C)C(=O)[C@H]1OC2(CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21 585109598 CURVMKCHJWCECO-NRFANRHFSA-N 378.472 2.907 0 40 GFAB CC(C)[C@@H](NC(=O)c1cnc2sccn2c1=O)c1ccc2c(c1)OCCO2 52953116 NXLRFOSLVXCYJB-MRXNPFEDSA-N 385.445 2.654 0 40 GFAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 97163082 UBNAPXKYUYPLPA-QGZVFWFLSA-N 395.544 2.977 0 40 GFAB O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)NCc1ccco1 5451076 CGUJSCKQGUZZBW-UHFFFAOYSA-N 398.419 2.505 0 40 GFAB CCCCOc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12804620 LWSZAVWQXCVAFN-UHFFFAOYSA-N 383.404 2.831 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)c1 14068323 JAXUUYCVAPUJRG-GFCCVEGCSA-N 387.465 2.878 0 40 GFAB COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1 16109520 OVPWTXMLTRSMGT-AZWQULSGSA-N 389.473 2.998 0 40 GFAB CCOc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1OC 19533930 RREZKVXKSNYMBL-FDFHNCONSA-N 396.531 2.956 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCCC2)nn1 225521862 AFEKIIIWEMIIJY-UHFFFAOYSA-N 379.508 2.861 0 40 GFAB CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2ncccc2Cl)CC1 528383119 SMNZTDZSPKONRL-UHFFFAOYSA-N 385.839 2.523 0 40 GFAB CC(C)OC(=O)[C@@H]1CCN(C(=O)C[C@H](C)n2cncn2)[C@@H]1c1ccc(F)cc1 12188750 OHRUHNJZIJFZAP-POZUXBRTSA-N 388.443 2.910 0 40 GFAB O=C(CN1CCCOc2ccccc21)NCc1ccc(C(=O)N2CCCC2)cc1 677764141 LQPYJINFCUUCKB-UHFFFAOYSA-N 393.487 2.828 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(Oc2ccncc2)CC1 575413937 UOIDLTMIODXFPM-QGZVFWFLSA-N 375.469 2.851 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc2c(c1)OCCO2 19351828 ZVXTULVBTVUMDC-GOSISDBHSA-N 399.472 2.743 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NCc1ccc(F)cc1 4478993 PFFJXYZTVBBCNH-UHFFFAOYSA-N 394.435 2.734 0 40 GFAB COC(=O)c1ccc(Cn2nc(C)c3cnn(-c4ccc(C)cc4C)c3c2=O)o1 12228745 NQTYNPLNTQIOBQ-UHFFFAOYSA-N 392.415 2.935 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccc2c(c1)CCO2 1775967015 BLKVEWVNFYDIGM-AWEZNQCLSA-N 391.470 2.955 0 40 GFAB Cc1cc(I)ccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 626687 HGECLFRJMUQNGK-IOQCUFBNSA-N 379.197 2.911 0 40 GFAB CCOC[C@@H]1CCCN(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)C1 73044981 DMFMAJNAXQGBIS-QZTJIDSGSA-N 375.513 2.980 0 40 GFAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccccc2)cc1 20068777 RTUQKAFUTSYXLN-QZTJIDSGSA-N 395.488 2.671 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)c1C 31719984 ODWFPVKNVIEDNW-UHFFFAOYSA-N 390.417 2.759 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 101416302 QQEGIWFIPAGCEK-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)cc1 21591327 ALMFMMCRSUEMLC-HNNXBMFYSA-N 384.432 2.745 0 40 GFAB Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCCC(C)C)nnc3c2=O)c1 33043109 JQTPKYNQXXDPRH-UHFFFAOYSA-N 381.480 2.592 0 40 GFAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(Br)cc1 22195152 IODIJRNEXNMBJT-GFCCVEGCSA-N 382.283 2.872 0 40 GFAB CCOc1cc(C2C(C(=O)OC)=CN(C(C)C)C=C2C(=O)OC)ccc1O 816028 ZMBJJTFTYQUSKK-UHFFFAOYSA-N 375.421 2.712 0 40 GFAB COc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2OC)n(C)n1 821586 ZZEBCBRFFVTDTF-UHFFFAOYSA-N 380.404 2.942 0 40 GFAB NC(=O)Cc1ccc(OCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1 1107135 RZDJJFYQXTYKGR-UHFFFAOYSA-N 384.766 2.900 0 40 GFAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1 2494305 PUCDTNXLOBCAPU-OAQYLSRUSA-N 385.464 2.838 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)C1CCCCC1 2503918 ILDBGLZNQQWRIP-MRXNPFEDSA-N 387.333 2.837 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCSc1nc2ccccc2s1 2625397 BNKCQQWLQINRFE-LLVKDONJSA-N 395.506 2.946 0 40 GFAB CCCCCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015756 OUEBZLRPBZZDNC-UHFFFAOYSA-N 381.480 2.937 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCc1ccccc1Cl 3600695 XBXMQDIZQNWLDI-NRFANRHFSA-N 397.862 2.740 0 40 GFAB O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc1nccs1 4078121 XPPSIQGLVDEWRO-UHFFFAOYSA-N 391.503 2.907 0 40 GFAB C[C@@H](NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1 4563375 IUOFANIKWRXYCT-OAHLLOKOSA-N 379.416 2.590 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 4738926 XMVTWPKWFSGFIT-IRXDYDNUSA-N 375.488 2.759 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccccc2C)c1 5353886 LPHHYIRCJCDZBN-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CN1C(=O)N(CC(=O)Nc2ccccc2OC(F)F)C(=O)C12CCCCC2 6005915 ZFSAFHMLAQOPLA-UHFFFAOYSA-N 381.379 2.823 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1ccc(Cl)cc1)C2=O 6124016 MNBKHURRHNODFI-UHFFFAOYSA-N 381.885 2.964 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O 6552952 GOASHPKWARSEGK-UHFFFAOYSA-N 389.452 2.636 0 40 GFAB COc1ccc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 6810945 OALWPEDLFOFAIT-KRWDZBQOSA-N 377.437 2.664 0 40 GFAB CC(C)OCCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 7007756 RKBLHDOFSOAQAF-UHFFFAOYSA-N 382.526 2.796 0 40 GFAB COc1cc(CNCCSc2nnnn2C)ccc1OCCc1ccccc1 7540118 YFXDVWORKIAWDP-UHFFFAOYSA-N 399.520 2.722 0 40 GFAB Cc1nnc(SCC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)n(N)c1=O 7813643 QURJOOYJIJJHMA-CQSZACIVSA-N 397.504 2.663 0 40 GFAB COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C2CC2)cc1 8164190 DKHMZNSHGBUTAZ-UHFFFAOYSA-N 388.489 2.750 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)NCc1ccccc1 8433596 WTJNSOXKTYVSPD-UHFFFAOYSA-N 384.432 2.664 0 40 GFAB O=C1CN(C(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2N1 8914909 GNTVETZDEOLMHP-QGZVFWFLSA-N 392.459 2.739 0 40 GFAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 8962370 AIXFZOVVLXEPJD-UHFFFAOYSA-N 378.425 2.934 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC 9063885 XJEODCBFQPSJPB-UHFFFAOYSA-N 384.404 2.914 0 40 GFAB CCNC(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1 9644177 SBYFDDLSRUNSGY-UHFFFAOYSA-N 385.493 2.971 0 40 GFAB Cc1c(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c(=O)n(-c2ccccc2)n1C 9908593 XOYUEUQLZYAETK-QFIPXVFZSA-N 391.427 2.595 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cccnc1SC(F)F 11116524 ICROQCJFVVCJBX-UHFFFAOYSA-N 380.420 2.558 0 40 GFAB Cc1c(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)sc2ncn(C)c(=O)c12 12203319 ZFJHFUNXTZRKMQ-LBPRGKRZSA-N 376.526 2.544 0 40 GFAB COc1ccccc1C(=O)N1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 12225559 BLPORHBZPHIQHY-UHFFFAOYSA-N 380.444 2.801 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 12563463 BJIOUPATLLMXLJ-FEUHHVOASA-N 392.521 2.510 0 40 GFAB Cn1c(SCCOc2cccc(Cl)c2)nnc1[C@H]1CCS(=O)(=O)C1 12818508 KZPRKANYZNZKPO-NSHDSACASA-N 387.914 2.542 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12982803 KMOLOVVFYPUMHH-UHFFFAOYSA-N 392.864 2.888 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)nn2C(C)C)cc1 13657074 XYLNGWBLQKLZNY-QGZVFWFLSA-N 390.509 2.873 0 40 GFAB CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3c(C)cc(Br)cc32)N2CCC[C@@H]12 15023069 BBMYCHCIBYQNEH-IAISJRAMSA-N 393.281 2.952 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3cc4ccccc4nc32)cc1 15841771 VCRJLXPHAQIKGZ-UHFFFAOYSA-N 381.457 2.688 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCCC1 16428822 PMIIGTYBYUMEQX-UHFFFAOYSA-N 380.510 2.689 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 17124377 HIABQKSPYRDHGO-UHFFFAOYSA-N 394.947 2.591 0 40 GFAB C[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21)N1CCCC1=O 19079550 XDRMYYCSNATQDH-RMYQPGKMSA-N 387.499 2.663 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H]3CCCO3)C1)N2 19127586 VGJZTRFSESHAQA-BYNSBNAKSA-N 386.418 2.897 0 40 GFAB Cn1ccc(C(=O)NCCn2ncc(-c3ccncc3)c2-c2cccs2)n1 19290999 GCZBCYSEJDYIQH-UHFFFAOYSA-N 378.461 2.837 0 40 GFAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@@H]2CCOC2)C1)c1ccccn1 19400503 KURHUPKLZRHODK-WAOWUJCRSA-N 380.492 2.696 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)CCCN3CCCC3)cc2)ccc1C(N)=O 19700592 NXWWTQHFXMCJPP-UHFFFAOYSA-N 380.492 2.648 0 40 GFAB CN1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(-c2cccnc2)no1 20464213 LHUVAXORLHUIHP-HOTGVXAUSA-N 382.399 2.838 0 40 GFAB biogenic,in-vitro CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 20897891 NVROKDWTVBEAIB-QFIPXVFZSA-N 397.494 2.858 0 40 GFAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)c1ccc2c(c1)NC(=O)CO2 21475443 RIDHCXAQXJCLJL-SSDOTTSWSA-N 386.355 2.528 0 40 GFAB CC(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 22090240 LHMPKFJCAZDPIB-UHFFFAOYSA-N 398.834 2.644 0 40 GFAB Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 22510563 DGSBBGPARUVRSF-UHFFFAOYSA-N 384.860 2.870 0 40 GFAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccon1 22766714 LJRKYDBPHLGZJZ-QGZVFWFLSA-N 396.472 2.590 0 40 GFAB CCc1ccc(CN(C)Cn2nc([C@@H]3CCS(=O)(=O)C3)oc2=S)cc1 23841704 HBRYNGIADUYLPL-OAHLLOKOSA-N 381.523 2.760 0 40 GFAB CCN(Cn1nc(-c2cccc(Cl)c2)oc1=S)[C@@H]1CCS(=O)(=O)C1 24193303 HOWBKKTVLLFINE-CYBMUJFWSA-N 387.914 2.992 0 40 GFAB CN(CCOc1ccccc1F)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 24762725 RESFISYIVUMTOT-UHFFFAOYSA-N 389.818 2.670 0 40 GFAB CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1nc2ccccc2s1 24922780 CUDGIDCZKDYLTB-UHFFFAOYSA-N 391.474 2.950 0 40 GFAB Cc1cccc2c(=O)n(CCCC(=O)O[C@H](C)C(=O)NC3CCCCC3)cnc12 26948282 YPKBJAAHLKPNLG-MRXNPFEDSA-N 399.491 2.866 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 28779349 RAEGXKQGSQFLBO-UHFFFAOYSA-N 377.346 2.657 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3cccc4[nH]ccc34)c2c1 32123948 SMJOTCGFEHQJIG-UHFFFAOYSA-N 376.416 2.955 0 40 GFAB biogenic O=C(C1CCCC1)N1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 32829582 QXWZTBVIDVSTTO-UHFFFAOYSA-N 390.427 2.819 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)c1 36597346 OPQQPOPEHZDCTB-QGZVFWFLSA-N 380.404 2.764 0 40 GFAB biogenic O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(F)cc1F 36614605 XFLIOBJBHMOSMC-UHFFFAOYSA-N 384.317 2.882 0 40 GFAB CCS(=O)(=O)NCC1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 38488609 ZKFYGPMTJGTTGS-UHFFFAOYSA-N 391.537 2.572 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(C)cc2)cc1 39986092 LGNUBWNMLBAGFF-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB CCN1C[C@H](C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 40073520 RBUPYWGVBFWUSC-GFCCVEGCSA-N 375.450 2.634 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 46171841 MKCUTHXPAMALIE-LBPRGKRZSA-N 379.434 2.515 0 40 GFAB O=C(CCCOc1cccc2ccccc12)N1CCN(C(=O)[C@H]2CCCO2)CC1 46736451 KLDQMMOARORFOA-OAQYLSRUSA-N 396.487 2.849 0 40 GFAB CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc(Br)cc32)N2CCC[C@H]12 55243784 OROIOIPZEJZPSI-KHIZAZIESA-N 379.254 2.644 0 40 GFAB Cc1occc1CN(C)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 56252362 YAAIBQZFOKVOTM-IAGOWNOFSA-N 376.453 2.528 0 40 GFAB CC(C)(CNC(=O)CSC1=Nc2ccccc2CS1)N1CCOCC1 69951036 SFXYGVYZRVQONJ-UHFFFAOYSA-N 379.551 2.881 0 40 GFAB COc1c(C)cnc(Cn2nc3c4ccccc4nc(C4CC4)n3c2=O)c1C 72347198 JMRJOGOWPNURTG-UHFFFAOYSA-N 375.432 2.990 0 40 GFAB Cc1cc(NC(=O)c2nc(C)sc2CC(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 72404138 JBZKJHSDDHYXHX-CYBMUJFWSA-N 396.538 2.767 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@](O)(c1cccs1)C1CC1 77099534 XNTRWMCVKIPQJJ-GOSISDBHSA-N 376.503 2.823 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1 78937984 GDEJCWRAGJJFDV-HNNXBMFYSA-N 398.868 2.607 0 40 GFAB NC(=O)NC(=O)OCCCSc1nnc(Cc2cccs2)n1C1CC1 84442237 SVFRJQVPGRHNLN-UHFFFAOYSA-N 381.483 2.552 0 40 GFAB COc1ccc(C2(CNS(=O)(=O)c3c(C)nn(C)c3C)CCCC2)cc1 90614352 CEHKPRPBBPMZNZ-UHFFFAOYSA-N 377.510 2.836 0 40 GFAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(Br)o3)n2)cc1OC 95533897 ULSAODZKPMHVBU-CYBMUJFWSA-N 379.214 2.893 0 40 GFAB CS[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2)C[C@@H]1N1CCCC1 95946026 ZHMJKCIAZFWUBK-ZWKOTPCHSA-N 380.521 2.832 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cnccn1 95998477 SWRWSPSJDMGXTN-IBGZPJMESA-N 377.448 2.552 0 40 GFAB Cc1cccc(NC(=O)N2CC[C@@]3(CC(C(=O)NCc4ccco4)=NO3)C2)c1 96225867 FLIRDIIILFNFEO-HXUWFJFHSA-N 382.420 2.657 0 40 GFAB O=C1C[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)CN1c1ccc(F)cc1 96238771 FWBYOSHPLAVQDG-IBGZPJMESA-N 392.427 2.783 0 40 GFAB CCc1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)no1 100145846 OIMFLLFXYVWKOT-HOTGVXAUSA-N 380.448 2.785 0 40 GFAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)Cc4sc(C)nc4C)C3)nc12 100727974 FSXZZZWSACXXCW-AWEZNQCLSA-N 399.520 2.938 0 40 GFAB Cn1c(CNC(=O)c2oc3ccccc3c2CS(C)(=O)=O)nc2ccccc21 102221464 NMEIXRHUJZUABP-UHFFFAOYSA-N 397.456 2.794 0 40 GFAB Cc1ccccc1C(=O)Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1 102621550 QLCMSQPHWXHBAK-UHFFFAOYSA-N 375.388 2.557 0 40 GFAB CC(C)c1ccc2c(c1)CCCN2C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103165100 RXAQVBONOYADEY-IDPBPBMLSA-N 378.472 2.896 0 40 GFAB COc1ccccc1C(C)(C)NCc1nnc2n(C)c(=O)c3cc(C)ccc3n12 103483971 HMXSXCIFEATAOI-UHFFFAOYSA-N 391.475 2.923 0 40 GFAB CCOc1cc2c(c3[nH]c(C(=O)N4C[C@H](C(N)=O)CC[C@@H]4C)cc13)O[C@@H](C)C2 106579520 OCAUEIOZOLDUNZ-RWMBFGLXSA-N 385.464 2.616 0 40 GFAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCC1CCN(CCO)CC1 109071638 FPMMMKHXBCHTHN-UHFFFAOYSA-N 378.467 2.561 0 40 GFAB CC(=O)O[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 214310062 ZITLPPLNBYOLDJ-CWTRNNRKSA-N 383.400 2.930 0 40 GFAB O=C(O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NC2CCCCCC2)c1 217451859 JOYYQARYZZPWGH-INIZCTEOSA-N 396.509 2.977 0 40 GFAB O=C(COc1cc(C(=O)O)cc(C(=O)O)c1)Nc1ccc(Br)cc1 217727118 LTHPYBRSMKFIIS-UHFFFAOYSA-N 394.177 2.863 0 40 GFAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 225424136 KTVGLWBGOFPDBQ-IBGZPJMESA-N 388.489 2.753 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 225476625 ZLDLXDBYCPHAID-WDYCEAGBSA-N 376.522 2.701 0 40 GFAB O=S(=O)(N[C@H](Cn1nccn1)c1ccccc1)c1ccc(F)c(Cl)c1 245053405 OSRCMYYJERQKKQ-MRXNPFEDSA-N 380.832 2.790 0 40 GFAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 250704249 VJMHLJULSQVBJT-NHYWBVRUSA-N 399.274 2.900 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@](O)(c4ccco4)[C@H]3C2)cc1 253384094 NRGCJQTZBXTOPU-QRFRQXIXSA-N 389.473 2.791 0 40 GFAB C[C@H]1CC[C@H]2[C@H](O1)c1cccc(OCC(=O)N3CCOCC3)c1OC2(C)C 257320339 VWJCZDDDQJQXAH-URLQWDBASA-N 375.465 2.951 0 40 GFAB COCCCNC(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 306135516 OTRBBZSMUFEZLF-UHFFFAOYSA-N 390.447 2.657 0 40 GFAB Cn1cc(-c2cnc3ncn(C4CCN(Cc5nccs5)CC4)c3n2)cn1 306136126 PKCDKJGBAKCFPU-UHFFFAOYSA-N 380.481 2.520 0 40 GFAB COc1cccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 306139385 SVWCZTZYFSVKMK-YADHBBJMSA-N 388.471 2.973 0 40 GFAB CN(C)c1nc(CNC(=O)c2c(F)cccc2Cl)nc(N2CCCCC2)n1 575605633 LWQXRCAZIQYEIZ-UHFFFAOYSA-N 392.866 2.650 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575609059 IPPSTCCRRLCHAN-GFCCVEGCSA-N 375.841 2.818 0 40 GFAB O=S1(=O)CCN(c2cccc(N[C@H]3CCN[C@H](c4ccccc4)C3)c2)CC1 580049414 SDNUXHZONBGNEG-FPOVZHCZSA-N 385.533 2.827 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 585104406 HXQDAJTZPNCVNS-SFHVURJKSA-N 382.526 2.599 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188695 IQFBBSUAZWMNSS-ZDUSSCGKSA-N 393.896 2.946 0 40 GFAB CC(C)N1C[C@@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 604381875 SLHKTBNKCRJATB-QGZVFWFLSA-N 399.457 2.564 0 40 GFAB biogenic,in-vitro O=C(NCC1(N2CCCCC2)CCOCC1)c1cc(-c2cccc(O)c2)on1 635550080 SKTSQLTYIWIIHS-UHFFFAOYSA-N 385.464 2.812 0 40 GFAB O=C1OC2(CCN(CC3CCOCC3)CC2)[C@@H]2CN(Cc3ccccc3)CCN12 1549163108 ZCOMZXXMKRMJFW-NRFANRHFSA-N 399.535 2.584 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153158 AOBGUQAWTCGNJI-OAQYLSRUSA-N 381.432 2.590 0 40 GFAB Cc1cc2c(N3CCN(c4nc(C(C)(C)C)nc(C)c4F)CC3)nccn2n1 1888897317 VQIILOAUYSUVIY-UHFFFAOYSA-N 383.475 2.899 0 40 GFAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)cc1C 2037912954 GJNYKPCDAOAZCA-QFIPXVFZSA-N 383.492 2.951 0 40 GFAB c1cc(-c2ccnc(N3CCN(c4ncnc5ccsc45)CC3)n2)ccn1 2087045434 UWXOASRRAKYQEU-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB COc1ccc2c(c1)cc(C(=O)N[C@H](C(=O)NCc1ccco1)C(C)C)n2C 12324585 ARBAGVPHTBHSLX-IBGZPJMESA-N 383.448 2.851 0 40 GFAB CC(C)(C)c1nnc(NC(=O)c2cnc3sc4c(n3c2=O)CCC4)s1 61718377 OASGDWZINNMVOK-UHFFFAOYSA-N 375.479 2.646 0 40 GFAB CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1 1353824 LWKFJHVAMBWBDQ-UHFFFAOYSA-N 382.449 2.742 0 40 GFAB CCOC(=O)[C@@H]1CCCN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 23382139 VLXNQRRYLBOYAU-IZINQKCZSA-N 393.528 2.746 0 40 GFAB O=C(c1ccccc1NS(=O)(=O)c1cccc2cccnc12)N1CCOCC1 937412 YDYOSXWFRYFOAO-UHFFFAOYSA-N 397.456 2.508 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 4984830 CTNQQRSQIBBJOE-LJQANCHMSA-N 377.444 2.839 0 40 GFAB COc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 4996104 UPAGBUPCZSBSTQ-UHFFFAOYSA-N 388.489 2.949 0 40 GFAB O=C(NCCCOC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6988863 PTCYZCXJJZTTHI-UHFFFAOYSA-N 394.537 2.940 0 40 GFAB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C 43757608 FAOZLTXFLGPHNG-UWIGYTGGSA-N 376.468 2.923 0 40 GFAB investigational CS[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)C[C@H]1N1CCCC1 108394204 UWLKEOOALBEPSH-JEDBISTDSA-N 387.549 2.933 0 40 GFAB Cc1nn(CN(Cc2ccc(F)cc2)C2CC2)c(C)c1S(=O)(=O)N(C)C 58173691 NMCIOOZEGVJMPO-UHFFFAOYSA-N 380.489 2.511 0 40 GFAB Cc1ccccc1CNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965814 WOQZDVQKZFTQEF-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnnn1C1CCCC1 21732376 LZMTYEANFXWKKG-UHFFFAOYSA-N 377.470 2.885 0 40 GFAB CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 45705640 SXMMKAXRMMVWKY-ZDUSSCGKSA-N 379.503 2.978 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3456870 GTEGVBUNXFAAHZ-LJQANCHMSA-N 387.823 2.754 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1ccc(Cl)cc1Cl 3402052 WPQNVMNHRGAISF-UHFFFAOYSA-N 398.290 2.907 0 40 GFAB COc1ccc2oc(C(=O)OCC(=O)Nc3sccc3C(N)=O)c(C)c2c1 3503721 MQRNSJOBNVMEIX-UHFFFAOYSA-N 388.401 2.706 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccccc2C)N2CCOCC2)cc1OC 12974160 UQRMYHPLMIVVKQ-LJQANCHMSA-N 384.476 2.816 0 40 GFAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1 49081235 UUOREMRQHMTGQH-CQSZACIVSA-N 381.432 2.896 0 40 GFAB O=C(OC[C@@H]1[C@H](COC(=O)c2ccncc2)C1(Cl)Cl)c1ccncc1 13301061 YOGBWCOZVLBAON-OKILXGFUSA-N 381.215 2.910 0 40 GFAB Cc1ccc(C)c(Oc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)c1 13511469 QDYWKKLHVGHXHG-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB CCCOc1cccc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 4301616 MZBBAZXFFPSCSM-MRXNPFEDSA-N 377.462 2.898 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 6310262 RSRYWXJMDMEXLI-UHFFFAOYSA-N 396.896 2.741 0 40 GFAB COc1ccc(CN2CCC(C(=O)NCCCOC(C)C)CC2)c(OC)c1 4435079 IUVWAOYKPKBQQG-UHFFFAOYSA-N 378.513 2.847 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)N2CCCC2)cc1 14050908 ZKEIAPSGSOZPLJ-OAQYLSRUSA-N 391.475 2.843 0 40 GFAB O=c1[nH]c(CSc2nnnn2-c2ccccc2)nc2sc3c(c12)CCC3 6554213 XHLODIUQDDNCAO-UHFFFAOYSA-N 382.474 2.741 0 40 GFAB Cc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)nnn1-c1cccc2ncccc12 66839217 OVDCYNKXPNJGKU-KRWDZBQOSA-N 390.491 2.824 0 40 GFAB Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 5881528 HCRLCNCAJWJMRN-UHFFFAOYSA-N 399.834 2.933 0 40 GFAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 5887631 QKOAFZQXBBJHFJ-UHFFFAOYSA-N 396.476 2.656 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)cc1 4984994 LDDLGJDBHWAKSA-LJQANCHMSA-N 393.443 2.675 0 40 GFAB COc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1Cl 15842575 LXWBHDKLIDNDIL-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccccc1N1CCCC1 9515734 AGCGRLZUNPMGQU-AWEZNQCLSA-N 386.521 2.906 0 40 GFAB CCOc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccccc1F 7602498 AAYGZLYRIGIFAQ-UHFFFAOYSA-N 392.822 2.769 0 40 GFAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)o1 8193573 LSYZULBDXCDMMQ-OAHLLOKOSA-N 393.509 2.606 0 40 GFAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 17104498 TYMSUOLYIVEKBU-ZETCQYMHSA-N 388.733 2.915 0 40 GFAB COc1cc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc(OC)c1OC 17333773 ULBBJNUNZUUQAQ-UHFFFAOYSA-N 389.832 2.983 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 8541702 RXOYWXIUTGMLES-QFIPXVFZSA-N 393.443 2.931 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1 8746713 AFNFFTXNOUYKRD-SNVBAGLBSA-N 382.463 2.775 0 40 GFAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N(Cc1ccco1)C1=CCCCC1 8850293 FLCTWIRWAGGEMU-UHFFFAOYSA-N 399.447 2.800 0 40 GFAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1cccc(C(F)(F)F)c1 62006797 CEXBDYJPPRSRGE-UHFFFAOYSA-N 398.410 2.910 0 40 GFAB CCc1nnc2c(=O)n(CC(=O)Nc3cc(C)ccc3C)c3ccccc3n12 64871521 NPKKIRCNXJIQPK-UHFFFAOYSA-N 375.432 2.862 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)O 409013250 TUYVCLIZQRVNJC-XNTDXEJSSA-N 382.372 2.646 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 408602903 BITALJSSKSQXEH-MRXNPFEDSA-N 392.496 2.725 0 40 GFAB O=C([C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CCn2c(nnc2C2CCCC2)C1 527487102 NQAQDQIYRDWGSX-RJZRQDKASA-N 384.402 2.634 0 40 GFAB CCCc1nn([C@H](C)C(=O)NCc2ccncc2)c(=O)c2cc3ccsc3n12 72335275 QEFAYJVIKUKLDN-CYBMUJFWSA-N 395.488 2.936 0 40 GFAB CC(C)OCCCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 217577403 OPBILQSXYUDBNO-UHFFFAOYSA-N 384.498 2.833 0 40 GFAB CCOC(=O)c1cnc(N2CCC(O)CC2)nc1CNc1cc(C)cc(C)c1 72260040 IGUKLCFIANSPAW-UHFFFAOYSA-N 384.480 2.843 0 40 GFAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1 33672531 UWYSNQSCNYDSPJ-UHFFFAOYSA-N 398.532 2.964 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)s1 223611241 KMAPZCIKNPQDMT-LLVKDONJSA-N 382.511 2.531 0 40 GFAB O=C(C1CC1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225474804 HSCSAVLUBDYTSP-UHFFFAOYSA-N 397.544 2.921 0 40 GFAB biogenic,in-vitro Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2cc(CN(C)C)ccn2)CC3)c1 569544500 XLACKARHRFTSOQ-SFHVURJKSA-N 390.491 2.911 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 40033538 XTNAEZHLWHITRC-CVEARBPZSA-N 378.428 2.800 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O 220345156 OUQLXVFPJZPFFD-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB O=C(NCCc1ccc(F)cc1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100396 SZXULQHXSVWOAF-UHFFFAOYSA-N 379.317 2.793 0 40 GFAB CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225422826 LVSNGWGAARRLBL-UHFFFAOYSA-N 390.505 2.698 0 40 GFAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(Cc3nccs3)C[C@H]21 514290298 XJUMFZBYRKYNAK-MJGOQNOKSA-N 392.484 2.923 0 40 GFAB biogenic,in-vitro CCS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)CC1 222622293 RYZZBDLIGQJNKF-IBGZPJMESA-N 396.553 2.960 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1C 223890505 ISDRLDWWHVERNK-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB Cc1ccsc1C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 96225308 BXJKHAUPSHEBRT-FQEVSTJZSA-N 398.488 2.519 0 40 GFAB CCN(C(=O)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1)c1cccc(C)c1 96395487 SXHHEBCFJKBZOF-QGZVFWFLSA-N 391.479 2.635 0 40 GFAB COc1ccc(NC(=O)N2C[C@@H]3Oc4cc(F)ccc4C(=O)N(C)[C@@H]3C2)cc1 514289361 IXECDEWMNVADTR-AEFFLSMTSA-N 385.395 2.584 0 40 GFAB biogenic,in-vitro O=C(Nc1nccn1-c1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 580406949 YCLHFJYNSKFHCE-JKSUJKDBSA-N 375.432 2.685 0 40 GFAB CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NC4CCCC4)cn23)CC1 96267388 KUHJCEKABUUYDD-UHFFFAOYSA-N 397.523 2.852 0 40 GFAB CS(=O)(=O)N(CCCC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(F)c1 250960718 VFJYUGNAFJMPMT-GDZNZVCISA-N 386.464 2.816 0 40 GFAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CN(C(=O)C(C)(C)O)CCO2)n1 257213895 CJOQIHHBOUQIQS-HNNXBMFYSA-N 376.482 2.569 0 40 GFAB NC(=O)c1ccc(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)s1 588929375 NJTWDDLPDCTRTE-UHFFFAOYSA-N 381.461 2.652 0 40 GFAB CO[C@H]1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C1 626390240 BAKUZNBKMPRIDS-JCNLHEQBSA-N 395.525 2.939 0 40 GFAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 652050832 NIBHEBRKZZCZQI-ARFHVFGLSA-N 384.398 2.620 0 40 GFAB COc1ccc(-c2ccc(=O)n(CN3CCO[C@@H](c4ccccc4)C3)n2)cc1 604418864 NLWJRNYYSHJMPU-OAQYLSRUSA-N 377.444 2.950 0 40 GFAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1COCC(=O)N1Cc1cccs1 90608448 RIDCEJSQOJQWLR-ZDUSSCGKSA-N 389.458 2.831 0 40 GFAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 626303815 RGFWEJOBBVCCHU-AKAXFMLLSA-N 392.452 2.893 0 40 GFAB O=C(N[C@@H]1CCCN(C(=O)c2ccc(Cl)cn2)C1)c1ccc(Cl)cn1 628215153 AHMWGNLNIWFXIV-CYBMUJFWSA-N 379.247 2.818 0 40 GFAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cccc(-n2cccn2)c1 390832363 YYUXEGBEHSCYAP-ZDUSSCGKSA-N 390.369 2.519 0 40 GFAB O=S(=O)(c1ccccc1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 585105188 PUMKTULPRNGIQS-INIZCTEOSA-N 376.503 2.547 0 40 GFAB CC(C)C[C@@H](C(=O)O)C(=O)N[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 670419317 QZXLHNSJIRRTJP-HZPDHXFCSA-N 378.469 2.943 0 40 GFAB C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 72393803 QZTMSNYTNMTRDJ-NSHDSACASA-N 387.390 2.805 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1)NC1CCCC1 1775964145 UHAYWHNWJIEVGV-INIZCTEOSA-N 383.452 2.675 0 40 GFAB biogenic,in-vitro CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1C1CCCC1 56034168 XAZHGLCBZAGZII-KRWDZBQOSA-N 389.521 2.762 0 40 GFAB CCCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C(=O)O)c1 95364827 VLTFSOCXDXFRNL-UHFFFAOYSA-N 377.418 2.909 0 40 GFAB Cc1cc(C)n(-c2cc(OCC3CCN(C(=O)c4cccnc4)CC3)ncn2)n1 1775974858 UECGMVXPUQDIBJ-UHFFFAOYSA-N 392.463 2.605 0 40 GFAB Nc1nnc(-c2ccccc2Cn2c(-c3nonc3N)nc3ccccc32)s1 13424503 RTPXHLHZYILUCK-UHFFFAOYSA-N 390.432 2.818 0 40 GFAB Cc1cc(S(=O)(=O)NC2CCCCC2)c(C)n1S(=O)(=O)c1ccccc1 13585859 KFIWEQXOORZDGA-UHFFFAOYSA-N 396.534 2.953 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19078500 RPDOHJNRDBCLNW-CVEARBPZSA-N 398.482 2.777 0 40 GFAB CCCc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(-n3cnnn3)cc1)OCO2 19525453 YSRZTZNDEGFMDP-ZDUSSCGKSA-N 395.419 2.750 0 40 GFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CN(c3ncccn3)CCO2)n1 19692741 JOPWMFVBZVIYJO-QGZVFWFLSA-N 380.427 2.717 0 40 GFAB Cn1cnc(S(=O)(=O)N2[C@H](c3ccccc3)C[C@]3(C)NCCCCC[C@H]23)c1 19713534 RGFIHYSXJSFYAQ-BJLQDIEVSA-N 388.537 2.847 0 40 GFAB Cc1ncc(C(=O)N2CC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)c(C)n1 19745489 CPBKCCZIKMWPOB-INIZCTEOSA-N 386.883 2.568 0 40 GFAB O=C1NCCCCN(C(=O)C2CCOCC2)CCCOc2ccc(Cl)cc21 643558659 SQESXIJYMAKUEJ-UHFFFAOYSA-N 394.899 2.888 0 40 GFAB Cc1cc(N=c2[nH]ncs2)nc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 643552013 FTWOFXLMQSTOFV-GFCCVEGCSA-N 376.486 2.917 0 40 GFAB COc1ccccc1C1=NO[C@H](CC2(C(=O)Nc3cnn(C)c3)CCOCC2)C1 12156965 VCDQVYGKOVMNHO-INIZCTEOSA-N 398.463 2.747 0 40 GFAB O=C(NCc1ccccn1)c1cc(-c2ccccn2)c(N2CCOCC2)s1 13267895 HVEODUDFQSJTNJ-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB CCc1cc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)nc(SC)n1 1888900930 ZVJKHPKTMMBCKI-UHFFFAOYSA-N 383.525 2.747 0 40 GFAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(CN2CCOCC2)cc1 15444005 CPYCANSMVKFZGL-MRXNPFEDSA-N 385.430 2.732 0 40 GFAB Cc1cc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)ccc1Br 7920376 SXZRAQVKFRPAEH-LLVKDONJSA-N 378.313 2.616 0 40 GFAB CCc1noc(CCC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)n1 2037909351 WBSCEGPXUAEKIJ-FQEVSTJZSA-N 391.443 2.526 0 40 GFAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3cccc(F)c3)cnc21 4479021 CDYYPGWMRPHLFG-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)cc1 4916431 GTYAMJXWZSGOIU-UHFFFAOYSA-N 397.504 2.885 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1nnnn1-c1ccc(Cl)cc1 9570794 ZCSLZZKOVBKEBD-UHFFFAOYSA-N 394.822 2.605 0 40 GFAB COC(=O)c1ccc2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c(=S)[nH]c2c1 12415799 HNKGVUONYIOSCG-LBPRGKRZSA-N 397.456 2.723 0 40 GFAB Cc1nnc(CN2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)o1 1775973589 OQLPAHOJEBTZLV-UHFFFAOYSA-N 383.427 2.653 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc(-c2cccs2)o1 1775967438 RLSCFLZPQQTLDR-ZDUSSCGKSA-N 384.413 2.766 0 40 GFAB CCOc1ccccc1S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217667103 GPZAQIHBVBVUCJ-QGZVFWFLSA-N 398.488 2.980 0 40 GFAB O=C1CCCN1c1cncc(CNC(=O)C2(c3ccccc3)CCOCC2)c1 575620831 VVYJDGDNRHFBJS-UHFFFAOYSA-N 379.460 2.573 0 40 GFAB COc1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)n(C3CC3)c2=O)cc1 585200098 ODCJSAGDDKHZIY-UHFFFAOYSA-N 396.422 2.624 0 40 GFAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c1 19569755 HWHAFWVCNSMBSX-ROUUACIJSA-N 394.519 2.913 0 40 GFAB O=C(O)/C=C/C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 17079172 CIBHEEAZGMDNMT-MDZDMXLPSA-N 387.775 2.959 0 40 GFAB O=C(CSc1nnnn1C1CC1)Nc1ccc(OC(F)F)c(Cl)c1 40002677 NDKBUJUYEFJMNY-UHFFFAOYSA-N 375.788 2.994 0 40 GFAB Cc1noc2ncc(C(=O)N3CCN(C(=O)/C=C/c4cccs4)CC3)cc12 40118497 HCHLGNVQUGYFQA-SNAWJCMRSA-N 382.445 2.591 0 40 GFAB Cc1oc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCCC1 40131298 OZTPUMLNBCRFQS-UHFFFAOYSA-N 394.518 2.895 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]1c1ccsc1 40157468 ULNNNAGLZGDGJY-WFASDCNBSA-N 382.482 2.918 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100563723 QMSRKXOPQMMKMS-RDJZCZTQSA-N 397.818 2.637 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)o1 21919428 TUKUCXHWROPNBD-CQSZACIVSA-N 397.244 2.985 0 40 GFAB COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 821549 XQOVWBJHCNXMEG-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB Cc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)o1 820787 CVASFLKOYBLZQJ-UHFFFAOYSA-N 387.461 2.794 0 40 GFAB COc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1OC(C)=O 865429 WVSGAJNZVXCASV-VGOFMYFVSA-N 381.340 2.694 0 40 GFAB CC[C@@H](C)OC(=O)Cn1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O 958470 ZJOCRZLPIUQDSB-LLVKDONJSA-N 380.466 2.921 0 40 GFAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)N3CCCCCC3)c(=O)c12 1961264 FYOGAKIATWKEIL-UHFFFAOYSA-N 391.493 2.734 0 40 GFAB CC(=O)Oc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1 2422229 VJYROBUPGRDKTH-BOPFTXTBSA-N 377.425 2.599 0 40 GFAB CSc1nc2ccc3nc(NC(=O)CN4C(=O)CCC4=O)sc3c2s1 2483593 IOUYXNXBNFVPJA-UHFFFAOYSA-N 392.487 2.715 0 40 GFAB O=C(OCC(=O)N1CCOCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 3247608 GHJDJOGZSOPTJS-UHFFFAOYSA-N 387.819 2.587 0 40 GFAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3456817 OBYJCFCZCURZPH-FQEVSTJZSA-N 385.851 2.766 0 40 GFAB CCNC(=S)N(CCN(CC)CC)Cc1cc2ccc(OC)cc2[nH]c1=O 4134173 WKMHDLAEPSUAEG-UHFFFAOYSA-N 390.553 2.575 0 40 GFAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 4305212 OJUZCFAPRHPYQQ-HXUWFJFHSA-N 389.455 2.816 0 40 GFAB CCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O 4452592 UJPWPDPUXLNLSY-AWEZNQCLSA-N 377.750 2.680 0 40 GFAB CCOC(=O)Cc1csc(SCC(=O)c2ccc3c(c2)OCCO3)n1 5014556 FOLCBNQINIOJGW-UHFFFAOYSA-N 379.459 2.995 0 40 GFAB COc1ccc(Cc2nnc(SCc3ccccc3Cl)n(N)c2=O)cc1 5257112 DFHVSVHCFDGCRK-UHFFFAOYSA-N 388.880 2.897 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCCCCC4)C3=O)n2)cc1 5298136 WXFXVYGHYSLHCK-UHFFFAOYSA-N 395.467 2.651 0 40 GFAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679408 GCQDXOWVPPUSHM-LJQANCHMSA-N 388.420 2.862 0 40 GFAB COCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1 5829323 XIVHZNJKVIESAI-UHFFFAOYSA-N 375.498 2.528 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cccc(OC)c1OCC 5871845 MAKIVRQBJSRIDV-INIZCTEOSA-N 390.461 2.917 0 40 GFAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 5953974 ZQMYMMLWEHGEMP-WOPDTQHZSA-N 376.478 2.967 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2OC)C1=O 6648346 IAZJUGVHENAAIZ-DHDCSXOGSA-N 378.450 2.656 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(N2CCCC2=O)cc1 8132038 LIFQAWDSZWNGJS-UHFFFAOYSA-N 393.487 2.922 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1Cl 8282137 SNJJZLTUNNPTOY-MRXNPFEDSA-N 377.780 2.670 0 40 GFAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)COc2ccc(C)cc2C)c1C 8768902 IOHHWRNXAFANTC-UHFFFAOYSA-N 393.509 2.866 0 40 GFAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(C(F)(F)F)cc1 9165012 RGIMTFVFDSZRAW-UHFFFAOYSA-N 392.337 2.812 0 40 GFAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 9358159 TYHZKRJCWFNMQA-JOCHJYFZSA-N 381.476 2.943 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1F 9852876 SQXJRQOWDWOVCR-UHFFFAOYSA-N 391.399 2.779 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccccc1C(F)(F)F 10455968 KVEQATRRNWMBDM-UHFFFAOYSA-N 389.351 2.718 0 40 GFAB C[C@@H](NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1)c1ccccc1 11094114 WZAGZRMOIZTTMY-APWZRJJASA-N 399.535 2.749 0 40 GFAB CCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)Cc1cccc(F)c1 11434881 ATTPJHDAKGNIBC-HXUWFJFHSA-N 384.451 2.774 0 40 GFAB CC1CCN(c2nnc(S[C@@H](C)C(=O)NC(C)C)n2C[C@@H]2CCCO2)CC1 11747540 JNGZYJWRRSQDDK-HOTGVXAUSA-N 395.573 2.699 0 40 GFAB Cc1nc(COc2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2)no1 11753239 DBFGCRUXXOXTPU-UHFFFAOYSA-N 396.355 2.725 0 40 GFAB O=C1NCC2(CCC(C(=O)NC[C@@H]3CCCO3)CC2)Oc2ccc(Cl)cc21 12087229 LNTYQFWAMDZXGO-LXDLAPCHSA-N 392.883 2.686 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(C)cc2)NC(=O)N3)cc1 12346243 PHTRPFLWGYBCMH-HXUWFJFHSA-N 377.444 2.697 0 40 GFAB COc1ccccc1-n1c2c(c(=O)[nH]c1=O)CN(Cc1ccc(Cl)cc1)CN2 12371801 BGXGXERSCCGDPG-UHFFFAOYSA-N 398.850 2.573 0 40 GFAB Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1S(=O)(=O)N1CCCCC1 12507344 BGAPEVCETVCRIY-UHFFFAOYSA-N 399.476 2.693 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cc(F)cc(F)c1 12795906 VTXRTVBUXJIAIU-HXUWFJFHSA-N 385.370 2.902 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCC1CCCC1 12886580 QDQBOVVZEGSBLI-UHFFFAOYSA-N 396.509 2.697 0 40 GFAB CC(C)[C@@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccc(F)cc1 12893493 BDSZSNMKCVSCKK-LJQANCHMSA-N 383.423 2.733 0 40 GFAB NC(=O)CCc1nnc(SCc2cc(Cl)c3c(c2)OCO3)n1C1CC1 13003754 XSXSSFBDIMTZQP-UHFFFAOYSA-N 380.857 2.705 0 40 GFAB COC(=O)CNC(=O)c1cccnc1Sc1ccc(Br)cc1 13014209 YIVPFCIVUUEGSD-UHFFFAOYSA-N 381.251 2.898 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 13019830 CNZDEUCXQLFMBD-UHFFFAOYSA-N 377.853 2.716 0 40 GFAB O=C(NCCOc1ccccc1F)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13235148 UXPBYEPGTNJHSI-KRWDZBQOSA-N 385.395 2.681 0 40 GFAB Cc1cc2nc(N(CCN3CCOCC3)C(=O)c3ccnn3C)sc2cc1C 13655273 JABIFBLSVNNDSV-UHFFFAOYSA-N 399.520 2.626 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(CN2CCCC2=O)c1 14183352 FPKZVWSVLSVELL-UHFFFAOYSA-N 399.535 2.574 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1OC 15789868 MGYBGGDZJRGBML-UHFFFAOYSA-N 394.468 2.795 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3Cl)cc2)C1=O 15842890 HBWMZKKJEVNJIG-LLVKDONJSA-N 378.837 2.905 0 40 GFAB O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1c1ccc2c(c1)OCCO2 16022957 GKXKMMPAGGKHRY-MRXNPFEDSA-N 378.428 2.790 0 40 GFAB COc1cc(CNCCc2ccccc2)c(Br)cc1OCC(N)=O 16194866 VZCFVUNSBHVYMV-UHFFFAOYSA-N 393.281 2.654 0 40 GFAB CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19085820 DYGTWNBBIUXBIN-HSZRJFAPSA-N 395.503 2.633 0 40 GFAB Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)cc1 19135661 YCHAUCWKSIGHSZ-WMZOPIPTSA-N 377.492 2.818 0 40 GFAB Cc1cc(C(=O)OCc2cc(-c3ccco3)on2)cc(S(N)(=O)=O)c1C 19241072 GJHGZQUWWPBHTE-UHFFFAOYSA-N 376.390 2.556 0 40 GFAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 19289050 GKWRKBKIIFWZRS-UHFFFAOYSA-N 393.466 2.508 0 40 GFAB c1cnc(N2CCN(c3ncc(-c4ccncc4)c([C@H]4CCCO4)n3)CC2)nc1 19403919 PHIINGFDVTVKDT-GOSISDBHSA-N 389.463 2.507 0 40 GFAB CCOc1cc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)ccc1O 19531857 CWJRRDODXMJOPJ-UHFFFAOYSA-N 398.507 2.669 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1 19554243 QDCAMVVAMLYJHY-OAHLLOKOSA-N 383.477 2.644 0 40 GFAB COCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19593500 PSRXPCBSUFHNAY-WOJBJXKFSA-N 384.451 2.519 0 40 GFAB Cc1ncsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 19746440 KMVCQFJRZXMHKN-MRXNPFEDSA-N 387.509 2.722 0 40 GFAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C(=O)c3cccnc3)CC2)n1 19754883 GAHONOZAOKFWTC-UHFFFAOYSA-N 395.507 2.582 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 24754066 PUJHSGFZQKHBOB-UHFFFAOYSA-N 394.880 2.638 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2c2ccc(F)cc2)cc1 25361367 HWOYFLYCSGTGRR-FQEVSTJZSA-N 399.466 2.880 0 40 GFAB CC(C)C(=O)N1CCC(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 26380179 PAQHQRBTCBHQGE-UHFFFAOYSA-N 392.931 2.819 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1F 30289119 FPHBDUMGYUFGMG-UHFFFAOYSA-N 384.860 2.999 0 40 GFAB CN1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)sc2C1 32759588 IDYWKDNQEFAIHO-GFCCVEGCSA-N 390.534 2.683 0 40 GFAB Cc1cc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)no1 35598031 POVTXJILOHXVSP-UHFFFAOYSA-N 377.448 2.953 0 40 GFAB O=c1[nH]c(O)c(C2=Nc3ccccc3N[C@@H](c3ccc(O)cc3)C2)c(=O)s1 35622403 SNPODXVTQJWPBW-CQSZACIVSA-N 381.413 2.886 0 40 GFAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3sccc23)CC1 36653097 YQKNSKSOJVZJCZ-HNNXBMFYSA-N 387.896 2.693 0 40 GFAB COc1ccccc1Nc1ncccc1C(=O)N(C)CC(=O)Nc1cc(C)on1 40013157 UGNJLZRGVXIPNR-UHFFFAOYSA-N 395.419 2.841 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)c2cccc(OC)c2OC)CC1 40089974 GXLIZDXDOIRAIR-UHFFFAOYSA-N 397.519 2.771 0 40 GFAB COc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1F 40478629 VGZUIYCRDJRPTG-UHFFFAOYSA-N 399.422 2.606 0 40 GFAB CC(C)c1ccc(OCC(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 44003769 URNSYKUPGRRNRW-UHFFFAOYSA-N 394.537 2.509 0 40 GFAB CCOC(=O)N1CCC(Nc2nc(-c3ccc(O)c(C(N)=O)c3)cs2)CC1 47283021 WVVJOCVSQPIRME-UHFFFAOYSA-N 390.465 2.647 0 40 GFAB O=C(Oc1ccccc1)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 47695548 WFAIJDLBPKDFIJ-UHFFFAOYSA-N 378.384 2.750 0 40 GFAB CC(=O)Nc1ccc(OC(=O)CN(C)C(=O)c2ccc(Br)o2)cc1 54429902 BVHVVRQPLOYVFT-UHFFFAOYSA-N 395.209 2.678 0 40 GFAB COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)ccc2=O)CC1 57084887 IMBQZYOVBVNUGG-UHFFFAOYSA-N 376.460 2.699 0 40 GFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1 57364037 JNEDHBKJXPEYAG-UHFFFAOYSA-N 390.281 2.915 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1 57380920 ZBXJBBBKBFUHMW-UHFFFAOYSA-N 396.896 2.789 0 40 GFAB O=C(CS(=O)(=O)C[C@H]1CCCO1)Nc1ccccc1SCC(F)(F)F 58293352 QQHGVYSTQJPICP-LLVKDONJSA-N 397.440 2.873 0 40 GFAB COc1cccc([C@@H](CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)N(C)C)c1 60342862 MDDBBKAJDIJXIS-MRXNPFEDSA-N 384.484 2.598 0 40 GFAB COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 64164833 RAWOHIWYAHGABO-QRFQSNJMSA-N 377.444 2.966 0 40 GFAB biogenic Cc1ccc(CNC(=O)COC(=O)c2cncc(Br)c2)cc1C 67208174 CORDUIBPBQNGOK-UHFFFAOYSA-N 377.238 2.934 0 40 GFAB CCn1cc(S(=O)(=O)NCc2cc(Br)cs2)cc1C(=O)O 71307643 SPAGQCOJTBIMAM-UHFFFAOYSA-N 393.284 2.509 0 40 GFAB Ic1sc(I)c2c1OCCO2 72194353 XNVYOUBEESESHB-UHFFFAOYSA-N 393.971 2.729 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2F)cn1 72377187 VOFPAYDMFCZPEZ-QGZVFWFLSA-N 380.427 2.966 0 40 GFAB CCSc1nnc(NC(=O)CN2CCC(c3nnc(C)s3)CC2)s1 77100656 JFQKXWQXZNNLAC-UHFFFAOYSA-N 384.556 2.628 0 40 GFAB COc1ccc(CC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1OC 77101096 OFAJFKXNUSBQSK-UHFFFAOYSA-N 383.370 2.722 0 40 GFAB COc1ccc(-c2nc(CNC(=O)c3ccc(-c4nc(C)n[nH]4)cc3)n[nH]2)cc1 78903290 LENLETCQRFLCNI-UHFFFAOYSA-N 389.419 2.504 0 40 GFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)cc1OC 85413001 OWDJHXKWXGGDTC-LPHOPBHVSA-N 382.368 2.876 0 40 GFAB Cc1cc(C)n(-c2nc(CCNS(=O)(=O)Cc3cccc(F)c3)cs2)n1 90609403 YGHAEFKEZWHWEC-UHFFFAOYSA-N 394.497 2.747 0 40 GFAB CCc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)s1 90616586 OSXKMBNLSLNQHO-UHFFFAOYSA-N 382.507 2.734 0 40 GFAB Cc1noc(C2CCN(Cc3ccccc3OCC(=O)NCC3CC3)CC2)n1 91835959 ZVZDQAWAWJGCPG-UHFFFAOYSA-N 384.480 2.663 0 40 GFAB CCN(CC)CCOCCNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 95939498 ZVOUVGVIWKVYKO-UHFFFAOYSA-N 378.517 2.695 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCn1cccn1 95998494 WWFPSBJFUWZJBN-HXUWFJFHSA-N 393.491 2.735 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)Cc1cnn(C)c1 95998604 YDCGSRWNQHTIOA-LJQANCHMSA-N 397.454 2.504 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C3=O)cc1 96202939 MCFDKRSAPVOGLO-UHFFFAOYSA-N 388.464 2.952 0 40 GFAB CN(C)C(=O)[C@]12CCCN(C(=O)C3CCCCC3)C[C@H]1CN(c1ccccn1)C2 96251282 XQXWHMGDQLTPCO-CVDCTZTESA-N 398.551 2.795 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3C[S@](C)=O)CC2=O)cc1 97139744 YBJBZSBVJGIMDF-DNOBIOAJSA-N 384.501 2.861 0 40 GFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NCCN2CCCCC2)Oc2ccccc21 100180714 FKCUFWNDTOMWDZ-ZQYRFBGISA-N 397.519 2.543 0 40 GFAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 100643122 VTUBHADBCXCYLY-DQUFGQPPSA-N 385.460 2.737 0 40 GFAB CCCC[C@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102979694 ZTNRQRIGEAIPNV-DLHQFGFUSA-N 383.282 2.548 0 40 GFAB CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1C(=O)N(C)C 107542648 XIPCNBUYHPAWCT-QGZVFWFLSA-N 384.480 2.600 0 40 GFAB C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223176657 KSWSKRGVURYXGZ-AWEZNQCLSA-N 390.480 2.958 0 40 GFAB COC[C@H]1CN(C(=O)c2ccco2)CC12CCN(CC1CCOCC1)CC2 247905231 WVCKFPHJBHMROA-GOSISDBHSA-N 376.497 2.507 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2cccc(OC)c2)cn1 248146176 WRTFQXUTIKXDAQ-DOXZYTNZSA-N 391.493 2.532 0 40 GFAB CC[C@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC)cc1 253375490 PYVVQIMJFZIKET-OUEOUJKYSA-N 384.476 2.684 0 40 GFAB CCN(Cc1c(-c2ccccc2)noc1C)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257242396 ICHIHKRZXVJKEI-NRFANRHFSA-N 394.479 2.820 0 40 GFAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc1C 257245987 IRYZYHQMRFGBRN-MRXNPFEDSA-N 384.455 2.541 0 40 GFAB NC(=O)C[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC[C@@H]1Oc1ccc(F)cc1 257332589 XXYFOUPSLIJCJY-KXBFYZLASA-N 388.414 2.679 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306135523 OTZVOYSOMHJTSA-CQSZACIVSA-N 389.427 2.780 0 40 GFAB COc1ccc(C)cc1NC(=O)c1cccc(-n2ccnc2S(C)(=O)=O)c1 390828929 VKGCNOIDOQFOBO-UHFFFAOYSA-N 385.445 2.845 0 40 GFAB Cc1ccc(Cn2cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c3ccccc32)cc1 408593661 QVGAGCBETMQYDG-VCHYOVAHSA-N 389.411 2.975 0 40 GFAB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC(C)=O 408760338 WYJQMMUMSVTZAM-WDZFZDKYSA-N 385.239 2.912 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc4c(cc3C)OCO4)C2=O)cc1 409017308 MPCZPGAUNQXYOR-LZYBPNLTSA-N 393.399 2.564 0 40 GFAB Cn1ncnc1COc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1 548477883 BLVJFXMQSSWHLA-UHFFFAOYSA-N 383.433 2.676 0 40 GFAB Cc1ccccc1-n1ncc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1C 557770968 RLJRIRSXLMUHCB-SFHVURJKSA-N 396.878 2.969 0 40 GFAB Cc1nn(-c2ccccc2)cc1CNC(=O)N[C@@H]1CCO[C@H]1c1cn(C)nc1C 585099394 DHOSCGPGXWGGJL-UXHICEINSA-N 394.479 2.552 0 40 GFAB Cn1ccnc1CN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 585109846 ZYWISZCIOCJIFV-SXWKCWPCSA-N 394.519 2.623 0 40 GFAB CS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 618367562 XHNVZENUPULKBV-QGZVFWFLSA-N 383.473 2.675 0 40 GFAB O=C(NC1CN(c2ccncn2)C1)c1ccc(C(F)(F)F)cc1N1CCCC1 634454505 YHMQCXBHCRDBPK-UHFFFAOYSA-N 391.397 2.714 0 40 GFAB CC(C)c1noc([C@@H](NC(=O)[C@]2(C(=O)O)CC=CCC2)C2CCOCC2)n1 653289044 HZVKDVXIZPVJQR-LIRRHRJNSA-N 377.441 2.588 0 40 GFAB COc1cccc2nc(NC(=O)N3CCN(C)[C@@H](c4nc(C)no4)C3)sc12 654219066 FIWDMHSZLQPFAQ-GFCCVEGCSA-N 388.453 2.517 0 40 GFAB Cc1ccc(C)c(OC2CCN(C(=O)[C@@H](C)n3cnc4c(N)ncnc43)CC2)c1 667100530 ZODJJTPJLNDMKA-OAHLLOKOSA-N 394.479 2.656 0 40 GFAB CN(CCO)Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)ccc1Cl 670381523 BKCFTSOKUVSSRF-UHFFFAOYSA-N 385.855 2.597 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCOC2(CCN(Cc3ccccn3)CC2)C1 1565542308 PLQKMIPXZGHUGS-UHFFFAOYSA-N 383.467 2.657 0 40 GFAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)CCc1ccccc1F)CC2 1565553181 MZGGDGSRRCDLKW-UHFFFAOYSA-N 375.469 2.544 0 40 GFAB Cn1ccc(C(=O)N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)n1 1775971498 QLPXMYZFCDBRSZ-UHFFFAOYSA-N 377.448 2.808 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 2037839770 CPWYMWFFGYCSFM-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)Nc4ccc(F)c(F)c4)C[C@@H]32)n1 2056223577 UCOMBKLDQRKQOW-OALUTQOASA-N 388.418 2.785 0 40 GFAB O=C([C@@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCC(F)(F)CC1 2086850273 MWLPBMDPUILLQR-LBPRGKRZSA-N 379.329 2.563 0 40 GFAB O=c1/c(=C\c2ccc(F)cc2)sc2nc3cc(Br)cnc3n12 657107 PNGQACYVXTZFQB-LFYBBSHMSA-N 376.210 2.754 0 40 GFAB COc1ccc(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[nH]2)c(OC)c1 931765 GOVQXEUYYAESFH-INIZCTEOSA-N 381.436 2.799 0 40 GFAB COc1ccc2c(C)c(CCC(=O)NCCCCCC(=O)O)c(=O)oc2c1 2099175 REUNPCIFPOYEDV-UHFFFAOYSA-N 375.421 2.804 0 40 GFAB biogenic O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1CCN2CCC[C@H]2C1 2766810 RNKTUUDXBRIIJB-NSHDSACASA-N 376.810 2.739 0 40 GFAB COC(=O)c1ccccc1NC(=S)NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 3171871 CJNZGFCOGLDAGR-OCCSQVGLSA-N 376.478 2.928 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NCCc2ccccn2)c(Cl)cc1Cl 3261575 VWLMPJFZEKUTJL-UHFFFAOYSA-N 375.233 2.608 0 40 GFAB CCc1cccc2c(C(=O)COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)c[nH]c12 3322735 VDBFRAUKWNGQIT-QRWLVFNGSA-N 386.473 2.910 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CC)s2)cc1 4077858 KJXOZDJJRHVVPU-UHFFFAOYSA-N 394.478 2.794 0 40 GFAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1cccc(Cl)c1 4352375 VDOILTABUZCRFA-UHFFFAOYSA-N 386.791 2.789 0 40 GFAB COCc1cc(C)nc2sc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c(N)c12 4414792 YRGLXFVWCQLYBC-UHFFFAOYSA-N 383.433 2.755 0 40 GFAB Cc1ccc(Cn2c(=O)c3c(nc4n(C5CCCC5)c(C)cn34)n(C)c2=O)cc1 4945192 BYAYCTMIAKHYIR-UHFFFAOYSA-N 391.475 2.930 0 40 GFAB O=c1c2nnn(-c3ccc(OC(F)(F)F)cc3)c2ncn1Cc1ccccc1 5056861 AONOIYFEUZDCCY-UHFFFAOYSA-N 387.321 2.924 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 6648269 JRFGBLZPRSDKBN-GDNBJRDFSA-N 378.450 2.656 0 40 GFAB Cc1cc(NC(=O)CSc2ncc(C(=O)O)n2-c2ccc(F)cc2)no1 6651736 UASABSSYOBDHQN-UHFFFAOYSA-N 376.369 2.737 0 40 GFAB COC(=O)c1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCC2 6706614 KJFWGQONBCIICR-UHFFFAOYSA-N 394.474 2.783 0 40 GFAB Nc1cc(=O)nc(SCC(=O)Nc2ccc(Cl)cn2)n1-c1ccccc1 6728336 CUJMGLWKKFMVAW-UHFFFAOYSA-N 387.852 2.594 0 40 GFAB CCN1CCN(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)OC3)CC1 6760311 BUCRORYIGJCNJT-UHFFFAOYSA-N 381.498 2.555 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2)n1 6933157 CGQSXKIMKQNLDE-OAHLLOKOSA-N 398.488 2.628 0 40 GFAB O=C(CSc1nnnn1-c1cccc(F)c1)c1ccc2c(c1)OCCCO2 7444351 ORFCHAROXQUTAS-UHFFFAOYSA-N 386.408 2.938 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 7827331 XKBFKVGRQJEFDS-GOSISDBHSA-N 391.880 2.527 0 40 GFAB CCN(CC)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 7871966 KXYANUOFYPEPPS-IBGZPJMESA-N 388.489 2.820 0 40 GFAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnnn2C2CC2)C1=O 8075648 YKOPADOTDMYLAS-CQSZACIVSA-N 391.884 2.975 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1F 8309150 ITIXRMYBMJESMM-UHFFFAOYSA-N 388.395 2.836 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)N(C)CC(=O)Nc3cccc(F)c3)CC2=O)cc1 8314306 CGASCULTWYDQIB-QGZVFWFLSA-N 397.450 2.580 0 40 GFAB CCCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)n[nH]c1=O 8571895 PBTQIXHTWRMLIX-GFCCVEGCSA-N 376.482 2.939 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F)c1ccc(F)cc1 8810809 PQJCBVWTRRBWEX-AWEZNQCLSA-N 396.415 2.674 0 40 GFAB O=C1CN(C(=O)CSc2ccc3ccccc3n2)C2(CCCCC2)C(=O)N1 9883525 DVFZMWCHLKCUKK-UHFFFAOYSA-N 383.473 2.515 0 40 GFAB O=C(C[C@H](C(=O)O)N(CCO)Cc1ccccc1)Nc1ccc(Cl)cc1 10384102 WVCVKDNQBREEIV-QGZVFWFLSA-N 376.840 2.616 0 40 GFAB O=C(Cn1ncn2c(cc3occc32)c1=O)N[C@@H](c1ccccc1)c1ccncc1 12117990 PBDVGEZDTRGHDL-NRFANRHFSA-N 399.410 2.543 0 40 GFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)on1 12118407 QASCWBIGXCXKGQ-CQSZACIVSA-N 382.424 2.555 0 40 GFAB O=C(NCCc1cn[nH]c1)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12226781 IMOHYIGDUGZBOF-UHFFFAOYSA-N 398.438 2.902 0 40 GFAB Cc1cc(N2CCN(C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)CC2)nc(C)n1 12290753 LWZKGPFEYLLIEA-UHFFFAOYSA-N 392.459 2.779 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1Cl 12323832 VQDXYVANFAMEOY-LLVKDONJSA-N 384.823 2.638 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(F)cc3F)C(=O)O2)c1 12745125 GVSFKTDPFARVSM-SXGWCWSVSA-N 392.383 2.560 0 40 GFAB CCCCCC[S@@](=O)[C@H]1CS(=O)(=O)C[C@@H]1[S@@](=O)CCCCCC 13116281 XLALDRNIXLZYLY-WWLNLUSPSA-N 384.629 2.810 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1OC 13677698 RYJGNBDDXAKDJV-UHFFFAOYSA-N 382.869 2.577 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 13997710 DMXWVTNZBIERLH-UHFFFAOYSA-N 394.424 2.739 0 40 GFAB O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 14099360 LMHIGOVNRHZBIY-UHFFFAOYSA-N 384.807 2.650 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC=C(c2ccccc2)CC1 14197216 ORDDRQDRUSIJRF-OAHLLOKOSA-N 388.464 2.808 0 40 GFAB COc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c(OC)c1 14671955 UALIABQOEVDVNS-GOSISDBHSA-N 393.443 2.649 0 40 GFAB C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 15276212 HNSNKMPSOKDMRK-SKDCKSNHSA-N 397.434 2.785 0 40 GFAB biogenic CCc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 17854768 YBFDWLCXCAVJSW-GOSISDBHSA-N 393.487 2.974 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)Cc1ccc(N2CCCC2=O)cc1 18157153 ZHYZLIVZPWACNE-UHFFFAOYSA-N 398.459 2.698 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19078096 VUBRITNJHUERHP-HNNXBMFYSA-N 398.482 2.777 0 40 GFAB CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 19589342 GREDHTBMIOQSCM-FXAWDEMLSA-N 381.451 2.694 0 40 GFAB Cc1cccc(-c2noc([C@@H](C)NC(=O)CCc3c(C)nc(N)nc3C)n2)c1 19665557 SJMMDWBPOOZUMM-CQSZACIVSA-N 380.452 2.844 0 40 GFAB CCOc1ccccc1C(=O)N(C)Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1 19710012 SRCAUBWZQHMJCR-INIZCTEOSA-N 397.523 2.681 0 40 GFAB Cc1nnnn1-c1cccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 19714425 JIQRPTUSXHSNTM-UHFFFAOYSA-N 399.838 2.967 0 40 GFAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)N(C)C)c1 20244560 DHSZSQVMQQZCND-QGZVFWFLSA-N 389.521 2.794 0 40 GFAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccccc1 20458913 SUMLTIRJZQEERM-QFBILLFUSA-N 388.489 2.871 0 40 GFAB CCN(CC)CCN[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 22872544 UTYAJLNHQYIRLL-AWEZNQCLSA-N 376.284 2.707 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1 28283981 OZTSQXINHYAZJV-KGLIPLIRSA-N 382.507 2.588 0 40 GFAB COc1ccccc1CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 29999760 ADPGZDXANXMXMO-OAQYLSRUSA-N 381.520 2.733 0 40 GFAB CC(C)(C)OC(=O)N[C@H](Cc1cn(C(=O)OCc2ccccc2)cn1)C(=O)O 34130919 NKTFPUKOHGSCSS-OAHLLOKOSA-N 389.408 2.588 0 40 GFAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2cc(N3CCCC3)ncn2)c1 36708019 FGTHIBCPGLBHMT-QGZVFWFLSA-N 384.480 2.656 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 36734687 PFQJHOUPPAJVIR-IKGGRYGDSA-N 394.523 2.839 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(OCC(F)(F)F)cc1)CS2 40040134 GPZNGKCMCNPXJM-BBRMVZONSA-N 388.411 2.698 0 40 GFAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCc2ccccc21 40086720 IUHQKLWKUQATBR-UHFFFAOYSA-N 387.505 2.793 0 40 GFAB Cn1c(CSc2nnc(C3CC3)n2CCC(N)=O)nc2cc(Cl)ccc21 43242568 NLUUTBKEWZQHIU-UHFFFAOYSA-N 390.900 2.863 0 40 GFAB C[C@@H](C(=O)NCc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O 45363817 UVIKATQNZYXCAS-NSHDSACASA-N 387.233 2.750 0 40 GFAB CCc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 47362913 OZZHYVSIWMZTOF-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F 47674793 WZFNODXMXIEQTA-LLVKDONJSA-N 379.346 2.693 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCO2 48374688 FIHBQXYZXLIQMF-UHFFFAOYSA-N 379.409 2.519 0 40 GFAB CCOc1ccc2cc(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)[nH]c2c1 56793095 MNORDNGSAKPOMG-UHFFFAOYSA-N 393.491 2.643 0 40 GFAB O=C(NC1CC1)c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 57436545 UVVTWMSZFDFINX-NRFANRHFSA-N 377.488 2.860 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(C)cc3)c3ccccc3n12 57522809 KFFOFLQKOHYXRN-UHFFFAOYSA-N 375.432 2.944 0 40 GFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 57552492 MUPVIXWWOOOTMF-VIZSFHNOSA-N 399.579 2.999 0 40 GFAB CC(C)Oc1nnc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)s1 58045905 LBZQPHZLSDVPNQ-LLVKDONJSA-N 395.506 2.615 0 40 GFAB Cc1nnc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)s1 62022938 PUXZGAPBBGAQKQ-LLVKDONJSA-N 390.494 2.809 0 40 GFAB CC(C)CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 63376404 SPOIYAFLRRYNQY-OALUTQOASA-N 378.538 2.670 0 40 GFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 65530394 RWAJHTGAOOZLPE-DOMZBBRYSA-N 376.478 2.939 0 40 GFAB O=C([C@H]1CCCN1C(=O)Nc1ccnc(Oc2ccccc2)c1)N1CCOCC1 72309899 VKZDBYJVLRSCSH-GOSISDBHSA-N 396.447 2.729 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 84240400 JLYYTWIADUXANS-MRXNPFEDSA-N 380.510 2.853 0 40 GFAB Cc1cc(NC(=O)c2ccnc(Cl)c2I)n(C)n1 95448452 ZAOXAIHPVAZCCL-UHFFFAOYSA-N 376.585 2.634 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1CN1CCC(O)CC1 95462007 BRRLRKYGEBOGNN-UHFFFAOYSA-N 392.496 2.569 0 40 GFAB CN(C(=O)c1nc(C2CC2)n(-c2ccccc2)n1)c1cccc(S(C)(=O)=O)c1 95980712 FJWMXYJMOJXREZ-UHFFFAOYSA-N 396.472 2.825 0 40 GFAB COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 95994186 DDTMMLPGXDXHPH-CJNGLKHVSA-N 398.381 2.990 0 40 GFAB O=S(=O)(N[C@@H]1CCC12CCN(Cc1nccs1)CC2)c1ccccc1 96051622 IXDDDDMRHWHBMA-MRXNPFEDSA-N 377.535 2.866 0 40 GFAB CC(C)CCN1[C@@]2(CCN(C(=O)c3cccnc3)C2)c2ccccc2S1(=O)=O 96143275 NYWYCVJKKVWAGG-OAQYLSRUSA-N 399.516 2.873 0 40 GFAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 96269144 MZFDGVCIRUDHGU-MRXNPFEDSA-N 399.413 2.686 0 40 GFAB biogenic,in-vitro CCOc1ccc(NC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1 96377651 QDGJASJCHJXXFC-UHFFFAOYSA-N 378.425 2.914 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccccc1C 96520168 FOHWZHMJANCQRF-QWRGUYRKSA-N 388.654 2.791 0 40 GFAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3cc(F)ccc3N1[C@@H]2C(=O)c1ccccc1Cl 101471556 NVPOKVXVPBYCIS-TVFCKZIOSA-N 396.805 2.835 0 40 GFAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102240381 JXINXUFLHOSMLE-HONMWMINSA-N 382.338 2.863 0 40 GFAB COC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@@H]1[C@H]1C(Br)=C(Br)[C@H]21 104097856 BZSYQMTXYCTLNO-QGMREWSDSA-N 392.043 2.540 0 40 GFAB Cc1cc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc(N(C)C)n1 188288535 QHZSPUHFTYMCSW-UHFFFAOYSA-N 382.489 2.997 0 40 GFAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217451195 CAXYGQKBYJLFDN-UHFFFAOYSA-N 384.498 2.834 0 40 GFAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220635601 TVMTZVKVZPLUFE-IBGZPJMESA-N 390.505 2.599 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC 222490246 WBEKTNMVICHUIY-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB CCOc1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 223007217 VWHWISSYJJROJT-UHFFFAOYSA-N 376.478 2.794 0 40 GFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1 224393908 FFDUTHRXVLIBDI-UHFFFAOYSA-N 394.537 2.937 0 40 GFAB COc1ccc(C)cc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225946564 DVMNSCFMPMXRHT-HNNXBMFYSA-N 380.441 2.762 0 40 GFAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1O 257209406 BQFKCCAKYXHAAP-RDJZCZTQSA-N 377.872 2.559 0 40 GFAB Cn1ccc([C@@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)[nH]n3)C2)n1 390828943 CHOJLOBCZCYVFO-CQSZACIVSA-N 379.420 2.559 0 40 GFAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 408530472 LFBLSNCHYUKKBM-UHFFFAOYSA-N 392.477 2.708 0 40 GFAB COc1ccccc1CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408601361 FZCVQSGIPPRTNF-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB Cc1cc2nc3s/c(=C\c4ccc(OCC(=O)O)cc4)c(=O)n3c2cc1C 409390590 FZTNGUZMVHGDJQ-MFOYZWKCSA-N 380.425 2.537 0 40 GFAB O=S(=O)(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(Cl)s1 548007226 LGYUDPLDUZEQCK-ZJUUUORDSA-N 389.886 2.861 0 40 GFAB Cc1cccc(COCC[C@H]2CCOC23CN(C(=O)c2cccc(O)c2)C3)n1 575403141 JDPPBTOHXRPXKF-SFHVURJKSA-N 382.460 2.934 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 575420593 DFMUZUVILACRAZ-INIZCTEOSA-N 393.486 2.510 0 40 GFAB CCNC(=O)COc1ccc(CN2CC[C@H](OCc3c(C)noc3C)C2)cc1 585084617 PVADJLQJJAIDPO-IBGZPJMESA-N 387.480 2.597 0 40 GFAB O=C1[C@H](O)CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)nc2)no1 585088490 JWMMKJWPUJFPAW-QGZVFWFLSA-N 394.431 2.584 0 40 GFAB CCOc1c(Cl)cc(-c2noc(CN3CCCC[C@@H](O)C3=O)n2)cc1OC 643932863 DUTBMXQNOHJLEN-CYBMUJFWSA-N 395.843 2.671 0 40 GFAB CN(Cc1oc(-c2ccccc2)nc1C(=O)O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 652426021 BJMUKKLEMVSCGL-ZBFHGGJFSA-N 392.477 2.827 0 40 GFAB O=C(NCc1ccc2occc2c1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 661136196 ONPWTLUPUJGOJR-SFHVURJKSA-N 393.443 2.912 0 40 GFAB Cc1cc(N2CC[C@@]3(NC(=O)c4cccc(C(C)C)n4)CCC[C@@H]23)nc(CO)n1 1615610736 GRZHWCQUMFIXTN-GCJKJVERSA-N 395.507 2.727 0 40 GFAB C=CC(=O)Nc1cccc(C(=O)NCC(=O)N2CCCCc3ccccc32)c1 1639829941 RUMVYFWOUZUANW-UHFFFAOYSA-N 377.444 2.910 0 40 GFAB COc1ccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c(OC)c1 1775965933 LOGYDQHLGUIYJG-UHFFFAOYSA-N 383.448 2.615 0 40 GFAB CC1CCC(NC(=O)c2cn(C[C@@H]3CC(=O)N(Cc4ccccc4)C3)nn2)CC1 1888860011 NUOFIOJZCSDPHM-CUYAVPTFSA-N 395.507 2.635 0 40 GFAB COCc1nsc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n1 1889091524 OFWMITIBOYRNHJ-CMPLNLGQSA-N 385.415 2.813 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)N3CCO[C@H](c4ccccc4)C3)CC2)n1 79494565 MVVWCTVZQFCBDF-FQEVSTJZSA-N 380.492 2.910 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12506964 UXPMZENIMMTPDD-KRWDZBQOSA-N 390.443 2.625 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1 4916179 YEBMDYAUIBKXEZ-UHFFFAOYSA-N 383.477 2.631 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 6207670 WHDAJNUHAUKCAC-UHFFFAOYSA-N 381.425 2.983 0 40 GFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)c1c[nH]c2ccccc12 6576296 DOQZXGQHTSGILQ-SFHVURJKSA-N 375.384 2.644 0 40 GFAB O=C(NCc1ccco1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766685 MVCKMTUIPWTQJU-UHFFFAOYSA-N 382.441 2.961 0 40 GFAB O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1 102984685 IIKGBNWTZMYMJH-UHFFFAOYSA-N 384.800 2.745 0 40 GFAB C[C@H](NC(=O)c1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 10027907 GKTQVHFLITYRLN-INIZCTEOSA-N 394.475 2.618 0 40 GFAB CN1CCN(CC(C)(C)CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1 100763470 XAVACSPPZPMQFP-OALUTQOASA-N 389.559 2.914 0 40 GFAB Cc1cccc(CSc2nc(=O)n([C@@H]3CCS(=O)(=O)C3)c3c2CCC3)c1 27794937 QFDUVPTWKAYBHH-OAHLLOKOSA-N 390.530 2.692 0 40 GFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1nnc(-c2ccccc2)o1 23039374 RQTFBMKSNGQIGE-UHFFFAOYSA-N 382.395 2.905 0 40 GFAB Cc1nc2nc(NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)ccc2c(C)c1C 100752413 CQELETFMCUAFBD-LSOMNZGLSA-N 392.459 2.525 0 40 GFAB CCCN1CC[C@@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 58405795 KXLGBVOKFDRBQU-HOTGVXAUSA-N 380.483 2.822 0 40 GFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccncc2)sc(C(C)=O)c1C 3314025 CHEMSXLZBGICGS-UHFFFAOYSA-N 390.417 2.626 0 40 GFAB COC(=O)C[C@H](NC(=O)c1cn2ccc(C)cc2n1)c1ccc(OC)c(OC)c1 10737662 MBADBARUDCDBSM-HNNXBMFYSA-N 397.431 2.694 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(SCCC(=O)O)s2)cc1 3325220 VIBFKHZOSLAPRJ-UHFFFAOYSA-N 385.492 2.844 0 40 GFAB Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCOCC2)c2ccccc21 2318366 DXGLNMXIHNWDAW-HKWRFOASSA-N 389.455 2.808 0 40 GFAB Cc1ccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1F 11163976 SIABOPRPWJVXSB-QGZVFWFLSA-N 376.453 2.766 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2cn(C)nc2C)c(C)c1 36621399 YPLKRHLKVXCGEZ-BMGDILEWSA-N 379.468 2.595 0 40 GFAB Cc1cnn(CC(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 48303393 TVPAYHWRHLEDOK-UHFFFAOYSA-N 384.461 2.939 0 40 GFAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1O 89920495 XOZBABYOXUVRSL-IONNQARKSA-N 375.650 2.909 0 40 GFAB COCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 11903123 DSJIPOXAFATIQT-UHFFFAOYSA-N 384.461 2.812 0 40 GFAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1 11906530 MDRCLXWRWXTSJL-UHFFFAOYSA-N 394.518 2.933 0 40 GFAB Cc1nc(COc2ccc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)cc2)no1 12076933 VIZGFYJZCCLJOH-IBGZPJMESA-N 395.415 2.943 0 40 GFAB CCOc1c(Br)cc(/C=C/C(=O)NCCCC(=O)O)cc1OC 62714728 MTFKQAHBMOAUPO-VOTSOKGWSA-N 386.242 2.851 0 40 GFAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 12942873 NAKFXZPLRPPGSS-NWDGAFQWSA-N 384.548 2.813 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccs2)N1Cc1ccncc1 13691023 XAQAWWYPSZJMHM-MJGOQNOKSA-N 386.498 2.992 0 40 GFAB Cc1ccc(-n2c(-c3cccs3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 13784928 BFSVZSCVCJYXQY-UHFFFAOYSA-N 391.456 2.713 0 40 GFAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1ccccc1 14077353 VTETWGFQQJOVOL-UHFFFAOYSA-N 387.486 2.655 0 40 GFAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)Cn2cnc3ccccc3c2=O)cc1 6549091 UYIFSIAUMXRPPD-CQSZACIVSA-N 380.400 2.610 0 40 GFAB Cc1cccc(N2CCN(CCNC(=O)c3c(O)cc(F)cc3F)CC2)c1 66044754 CDPQFCWVDCORAD-UHFFFAOYSA-N 375.419 2.531 0 40 GFAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCCCn1ccnc1 6660189 KWKBLMLDJLRSAO-OAHLLOKOSA-N 395.459 2.842 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(C)=O 4742778 RDUGYOMEOQDPKW-UHFFFAOYSA-N 391.449 2.803 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1C 15866647 CTPACHDZLXFPNM-WBMJQRKESA-N 375.494 2.911 0 40 GFAB COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)CN(C)CC5)cc1OC 19949459 GOWUJDLSOVDAQO-UHFFFAOYSA-N 395.488 2.935 0 40 GFAB C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)N1CCc2ccccc2C1 8345090 QZENWZJRNLPLNX-CYBMUJFWSA-N 385.518 2.848 0 40 GFAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 8750926 RVYLSFQXTJOINW-MRXNPFEDSA-N 392.814 2.630 0 40 GFAB COCCn1cc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)cn1 84409767 NENOGSCFPBBQHC-GOSISDBHSA-N 383.493 2.590 0 40 GFAB CO[C@@H]1[C@H](C)[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1(C)C 95987281 ZINGYGACSXPTDW-OCBCSQNSSA-N 396.443 2.865 0 40 GFAB NC(=O)CC[C@@H]1CCCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)C1 95958820 BJJVDSOEKDEENH-INIZCTEOSA-N 378.476 2.766 0 40 GFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 408590780 KYJLOVHIEHNOOB-OAHLLOKOSA-N 382.526 2.980 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1 28200036 AUUZHHDDPYPZIZ-MRXNPFEDSA-N 377.897 2.903 0 40 GFAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 25870182 XMGFGMYKQSXCBB-UHFFFAOYSA-N 375.402 2.550 0 40 GFAB COc1ncccc1CN1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306123237 AIEYGXZHNLKIGI-NHCUHLMSSA-N 388.471 2.973 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1NC(=O)CC 408698718 RVCCNFLSZQWPGE-UHFFFAOYSA-N 392.477 2.921 0 40 GFAB O=C1NCCc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc21 70638295 KPLIYKFJPCYIDK-ZDUSSCGKSA-N 383.835 2.618 0 40 GFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136129 PKEFCOQSQMZDRD-JTSKRJEESA-N 396.491 2.925 0 40 GFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)C1CCC1 67896428 YQWCGYASOFVJOO-IFMALSPDSA-N 394.471 2.886 0 40 GFAB biogenic,in-vitro CCSc1nc2ncc3c(=O)n(-c4cc(OC)cc(OC)c4)ccc3n2n1 38783756 PMSHYHDBBXEBKO-UHFFFAOYSA-N 383.433 2.558 0 40 GFAB CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ncc(-c3ccccc3C)o2)C1=O 533818673 GQLBLPQOUFIWAL-HXUWFJFHSA-N 379.420 2.741 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 408617896 DZBRFXKNZWYUEH-UHFFFAOYSA-N 391.468 2.603 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)o1 306141547 VZYZBQMUQBSWOK-UHFFFAOYSA-N 381.436 2.516 0 40 GFAB CC(C)C(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 77262518 MRZVSQHCBLKLKZ-JENIJYKNSA-N 376.428 2.704 0 40 GFAB biogenic,in-vitro CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2N2CCCC2=O)C1 32901689 QFJDTSKZWIDBSU-CYBMUJFWSA-N 378.856 2.882 0 40 GFAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218567065 DJQDJPLCMLCLDM-LMMKCTJWSA-N 394.876 2.905 0 40 GFAB Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)Cc2cccc3c2OC(F)(F)O3)o1 573305246 NOVPFVHHSBKSTC-STQMWFEESA-N 384.358 2.748 0 40 GFAB Cc1ccc(CN2CCc3cc(C(=O)NCC4CC4)c(N(C)C)nc3CC2)o1 96260361 BVUIZHVINDQJJW-UHFFFAOYSA-N 382.508 2.790 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2CC1CC1 96143917 MKDJMGBNBBDDLW-GMAHTHKFSA-N 377.488 2.950 0 40 GFAB CCCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)CC1 585083308 PMKDGZXVNWXTKP-HNNXBMFYSA-N 382.526 2.531 0 40 GFAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN(C)C 257322950 WIFDVULWCZPEER-QMDPOKHVSA-N 397.563 2.940 0 40 GFAB CC1(N2CCOCC2)CCN(C(=O)NCc2nc3ccccc3n2C2CC2)CC1 637047644 WRRGNMDOMJLHOD-UHFFFAOYSA-N 397.523 2.768 0 40 GFAB CCC[C@H]1CCc2c(sc(=O)n2Cc2nnc([C@@]3(OC)CCOC3)o2)C1 643646602 ZUYPHVUOIMCTFV-KPZWWZAWSA-N 379.482 2.508 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)ccc12 43746954 QTHSGOGNRLVJEF-LPHOPBHVSA-N 384.476 2.861 0 40 GFAB biogenic CC(C)c1ccc(-c2csc(N3C(=O)N[C@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 575424454 AKSKHJYFZRRVMG-GJZGRUSLSA-N 377.491 2.629 0 40 GFAB O=C(NCc1cccnc1)c1ccc2n1CCN(C(=O)c1cccc(F)c1)CC2 585111027 SVTOGBKBHBFKLO-UHFFFAOYSA-N 392.434 2.651 0 40 GFAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3nc4ccccc4s3)oc(C)c12 57679712 KCTIUKATJIAKBK-UHFFFAOYSA-N 397.460 2.813 0 40 GFAB Cc1cc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)no1 1549163111 ZCSIEFXGSKLWHW-FQEVSTJZSA-N 396.491 2.654 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 1615119443 GUDRDJLWRCVCIV-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(C)cc3)c2)cc1 14230310 KWRHXAKUVBBSAD-UHFFFAOYSA-N 384.461 2.999 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)ccc1OC 14291907 WYRFDPRTITUIPC-UHFFFAOYSA-N 376.478 2.622 0 40 GFAB CCN1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccc(F)cc2)CC1 19528086 DLWJBRQOMKXVFU-FQEVSTJZSA-N 398.461 2.727 0 40 GFAB C[C@H](CN1CCCC1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 19661372 SKJHQJVJTLSLSD-CQSZACIVSA-N 384.446 2.917 0 40 GFAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)NCc2ccco2)c(OC)c1 4169752 OOWFXNSFZDCAJZ-ILWKUFEGSA-N 396.443 2.990 0 40 GFAB COc1ccccc1-c1noc([C@H](C)NC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)n1 626753808 ADWFPIRXCNGIIW-FRRDWIJNSA-N 388.424 2.558 0 40 GFAB COc1ccc2c(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c[nH]c2c1 12120733 HJPUJZMAPBZAQB-UHFFFAOYSA-N 387.443 2.880 0 40 GFAB COC(=O)c1cc(OS(=O)(=O)c2ccc(C)cc2C)cc(C(=O)OC)c1 2620085 MURDDMDJJWATPE-UHFFFAOYSA-N 378.402 2.644 0 40 GFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1 2726577 CCSZUWDTNOXQGP-HXUWFJFHSA-N 385.851 2.732 0 40 GFAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 5680666 SPXYGKSSJCUUIJ-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCc1ccccn1 13200876 WOJKDWATQUEMAZ-UHFFFAOYSA-N 375.428 2.963 0 40 GFAB COc1ccc(C)c2sc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nc12 1889151994 AYLSOHFMWRPCPL-GFCCVEGCSA-N 381.523 2.664 0 40 GFAB O=C1CCCC[C@]2(CN(c3ncnc4[nH]cnc34)C[C@H]2c2ccc(F)cc2)N1 2037843751 HQNHXKXOJRNBBJ-MGPUTAFESA-N 380.427 2.525 0 40 GFAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)s1 23107894 BDMYELWNTHGVBA-LLVKDONJSA-N 392.955 2.815 0 40 GFAB CN1CCN([C@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccc(F)cc2)CC1 49490330 QQLWSTOGXGTOCX-GOSISDBHSA-N 398.438 2.792 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@](C)(O)Cc3ccsc3)cc2)co1 618256422 HXPDAHXRZDLCKA-GOSISDBHSA-N 392.502 2.984 0 40 GFAB COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206785953 SHIHCTLXCBNEPL-OAHLLOKOSA-N 393.365 2.896 0 40 GFAB Cc1cc(C)cc(OCCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 40061980 MPZIMDJLHMUDGL-UHFFFAOYSA-N 376.478 2.975 0 40 GFAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116787 IRZJDUNXZRINPQ-KRWDZBQOSA-N 385.386 2.635 0 40 GFAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1nncs1 40141681 RSCAENOOGJWOJT-UHFFFAOYSA-N 382.371 2.936 0 40 GFAB CN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 30804687 RBBHZGRXBGWHJK-ICSRJNTNSA-N 397.500 2.640 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H](C)c3ccccc3)cc(C3CC3)nc21 32080078 BKJLQZUMUXJSMM-CYBMUJFWSA-N 392.459 2.516 0 40 GFAB COc1cccc2c([C@@H](C(=O)O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12 20723960 OYZVQBAQYYVHLR-KRWDZBQOSA-N 389.452 2.855 0 40 GFAB O=C(NCc1ccccc1)[C@@H]1CSCN1Cc1nnc(-c2ccccc2)o1 32809744 RLDJQXNSDSVNIF-KRWDZBQOSA-N 380.473 2.928 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn1Cc1ccc(F)cc1Cl 102624879 JROCTOCCUYECGG-MUIFIZLQSA-N 389.814 2.699 0 40 GFAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)N1CCOCC1 33327332 GQNSOWZBIZSMSP-UHFFFAOYSA-N 383.379 2.780 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1cc(Br)cc(Br)c1O 607905 INGVKLACODHWHI-QMMMGPOBSA-N 379.048 2.826 0 40 GFAB in-man O=C(Oc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 797291 YAFBWIVHKFPNCS-UHFFFAOYSA-N 381.837 2.580 0 40 GFAB CC1=NN(C(=O)c2ccc(I)cc2)[C@](O)(C(F)(F)F)C1 896214 KECCPHVEIVZZDY-LLVKDONJSA-N 398.122 2.764 0 40 GFAB Cc1ccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 895895 YURYIHUWULIMBM-HXUWFJFHSA-N 388.533 2.955 0 40 GFAB Cc1cccn2cc(-c3ccc(NC(=O)CCN4C(=O)CCC4=O)cc3)nc12 47505214 JNQQJADGGIHFBQ-UHFFFAOYSA-N 376.416 2.787 0 40 GFAB CCOc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1 780986 QZIYURFVSDLWIW-UHFFFAOYSA-N 383.477 2.512 0 40 GFAB COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(OC)cc3)C2=O)cc1 956195 JXLCPKBFKKOBCR-UHFFFAOYSA-N 386.791 2.918 0 40 GFAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)c1OC 956728 RSYLXKYPFIUQAB-INIZCTEOSA-N 384.461 2.530 0 40 GFAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[C@@H]1C[C@H]2CC[C@H]1C2 105118640 TVCGGRWCWYNRMB-FDPKGLCPSA-N 384.476 2.752 0 40 GFAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NCCN4CCOCC4)sc32)cc1 23873436 LHOJNFHBTURAJW-UHFFFAOYSA-N 398.532 2.825 0 40 GFAB CC(=O)OC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 4194807 AVMIIKLVEDAPFQ-SFFUCWETSA-N 382.453 2.795 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4487864 ILXDDQNPLLGHNZ-SGPHBRAGSA-N 383.828 2.675 0 40 GFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1cccc(Cl)c1 4495297 YCSMFHOLFPVXGH-UHFFFAOYSA-N 378.837 2.512 0 40 GFAB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)cc1 4966923 KJJHSOWEQYOOTP-UHFFFAOYSA-N 387.457 2.977 0 40 GFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)ccc1O 6948457 ZXTGSKMDIRLYHK-GDNBJRDFSA-N 378.450 2.696 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc(C)s1)CC2 7004986 BGVAWWNKYGLNFO-UHFFFAOYSA-N 375.446 2.815 0 40 GFAB CCOC(=O)C1=C(COc2ccc(Cl)cc2Br)NC(=O)NC1 7437638 YGCCGEWIAREBEE-UHFFFAOYSA-N 389.633 2.611 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cc(OC)ccc1OC 1212340 SAICNNQHVVEXDS-INIZCTEOSA-N 376.434 2.527 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 12561169 ZSUIWXQCVMQBOH-UHFFFAOYSA-N 380.491 2.545 0 40 GFAB Cc1nccn1C[C@@H](C)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 47938120 VRVCFKWRYJPNBW-BLGFXRMMSA-N 394.519 2.896 0 40 GFAB O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ncc(Cl)cc1Cl 3292815 IKLOVWNRGHZLQQ-UHFFFAOYSA-N 385.232 2.822 0 40 GFAB CSc1ccccc1NC(=O)CN(C)S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 34867681 LSCOIEISCNUECE-KBPBESRZSA-N 385.555 2.502 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 8433850 FFQXYVLIAOROJE-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB O=C(Nc1onc2c1CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 8976553 FMLNGGHQZKEESG-UHFFFAOYSA-N 375.450 2.590 0 40 GFAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCCN3CCOCC3)cc12 25425484 ISOYSVPQSUYPLT-UHFFFAOYSA-N 398.532 2.907 0 40 GFAB Cc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CC2)c1 12608543 DVRKRXYBYYIMMM-UHFFFAOYSA-N 379.460 2.607 0 40 GFAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N3CCCCC3)c2=O)c1 57492720 PYIYNVYJYRHOFY-UHFFFAOYSA-N 397.500 2.843 0 40 GFAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1889717 ZCQKTJWLPNNQIX-UHFFFAOYSA-N 393.440 2.866 0 40 GFAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 58141317 USHMOVLFBGLJQG-MRXNPFEDSA-N 379.460 2.990 0 40 GFAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 100766704 HSSZLNUCBKRYPI-XEYPJELSSA-N 383.536 2.744 0 40 GFAB Cc1ccc(OCCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 12796402 XVKYOMQFIFHQLM-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)N(Cc3cccnc3)C3CC3)CC2=O)c1 45143971 BSXFIYMXMDOUGC-MRXNPFEDSA-N 395.459 2.643 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 28609457 KSZDHLVABCALOK-GOSISDBHSA-N 380.444 2.834 0 40 GFAB Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3318648 KKUUOVBRMDAUJK-UHFFFAOYSA-N 378.450 2.823 0 40 GFAB Cc1ccc(-c2ccsc2C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 48342252 PSFHNYFFUIUJAU-OAHLLOKOSA-N 378.519 2.877 0 40 GFAB C[C@@]1(c2cccc(NC(=O)COCc3ccccc3Cl)c2)NC(=O)NC1=O 48365005 IYEOPXJPDBLGHZ-IBGZPJMESA-N 387.823 2.550 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O 48398718 ZYSIDIYBVPINAV-UHFFFAOYSA-N 377.444 2.886 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCC(=O)NC2CCCCC2)CC1 48374406 CHZKEAJSPHXHRP-UHFFFAOYSA-N 381.517 2.589 0 40 GFAB COc1cccc(CNCCNC[C@@H](C)O)c1OCc1ccccc1Cl 22075188 FRJUQWPEBYKJMO-OAHLLOKOSA-N 378.900 2.988 0 40 GFAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 11460033 JKYBNHBZCSABFS-AWEZNQCLSA-N 376.412 2.658 0 40 GFAB NC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 29323465 FCOJPUUUZCLTMF-UHFFFAOYSA-N 375.328 2.877 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1 11715968 HTSCOTNHZGTPPP-UHFFFAOYSA-N 389.521 2.830 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc3nccnc3c2)c1 12274204 IODWEMPFVIVPLI-UHFFFAOYSA-N 391.460 2.953 0 40 GFAB COc1ccc(C(=O)OCc2ccccc2F)cc1S(=O)(=O)N1CCCC1 3478699 GDLMDPXVNUQZDR-UHFFFAOYSA-N 393.436 2.976 0 40 GFAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 3468871 LEGWCWYSSJGOOR-UHFFFAOYSA-N 383.473 2.549 0 40 GFAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(C(=O)c2cccs2)CC1 12946356 HURSKFIWKLGZQN-LBPRGKRZSA-N 379.432 2.811 0 40 GFAB Cc1oc(C)c(S(=O)(=O)N(C)C)c1C(=O)NCCc1c[nH]c2ccccc12 38489404 QTIHRTSYHNDSJL-UHFFFAOYSA-N 389.477 2.601 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 3959898 ANKRQGACOYKGDO-UHFFFAOYSA-N 388.228 2.883 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)c3nnc4ccccn34)CCC2)cc1 65552775 HVDSURGVDVJGJB-OAHLLOKOSA-N 398.488 2.612 0 40 GFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 14182362 URERDKHDMRODAY-QGZVFWFLSA-N 377.444 2.566 0 40 GFAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccccc1 5634343 APIPKFGQXWAVSC-UHFFFAOYSA-N 391.518 2.987 0 40 GFAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2c(F)cccc2F)c2ccccc2O1 7275917 KRFGXXQHVAQXFW-KRWDZBQOSA-N 389.402 2.697 0 40 GFAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1=O 15858199 NHCOPJBXXWVPCO-UHFFFAOYSA-N 376.409 2.781 0 40 GFAB CCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nnc1C1CC1 7618620 VAVSPQXUYPRPPP-UHFFFAOYSA-N 385.493 2.798 0 40 GFAB NC(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 8074116 AUSKWULBIWMNTH-UHFFFAOYSA-N 378.494 2.650 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2ccsc2)no1 8134514 LSMJTQBNAUCMBZ-UHFFFAOYSA-N 395.444 2.626 0 40 GFAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 16974648 RSFYXEACTUAFGJ-SNVBAGLBSA-N 379.438 2.653 0 40 GFAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2cc3c(s2)CCC3)nn1 83897551 PCSXVJRCSLJVEJ-KGLIPLIRSA-N 375.450 2.956 0 40 GFAB CC(C)c1ccc(NC(=O)COCC(=O)N2CCN(c3ccccn3)CC2)cc1 18266045 LCFWHIFNFFQPLL-UHFFFAOYSA-N 396.491 2.509 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(Cn2nc(Cl)c3ccccc32)CC1 95446130 KDRKFVCVFYSENR-UHFFFAOYSA-N 390.896 2.654 0 40 GFAB CCC(CC)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 8876435 KKEVGSZVEKXTGX-UHFFFAOYSA-N 377.304 2.618 0 40 GFAB O=S(=O)(Nc1cn[nH]c1-c1ccccn1)c1ccccc1Cn1ccnc1 95995786 CJTHXQIFHQTEDI-UHFFFAOYSA-N 380.433 2.517 0 40 GFAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3)n2C)c1 409061590 GBNGXUURSYVKPK-UHFFFAOYSA-N 395.488 2.784 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 25653912 CJWPFRVXONYNQP-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)NC4CCCCC4)C3)nn2)n1 62163913 VZTKINUFYQHYMW-KRWDZBQOSA-N 382.512 2.944 0 40 GFAB CCOc1ccc(CCNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1OCC 125826253 WOFUSJSJQXWQQK-RXVVDRJESA-N 384.476 2.984 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2CC)cc1 408592365 KBSCYOWWKWRCIT-AWEZNQCLSA-N 376.478 2.953 0 40 GFAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1 35572306 WSLZIDFNADWCCU-IBGZPJMESA-N 380.444 2.605 0 40 GFAB O=C(CN1CCCC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 33883752 VCUMZNDUHRMCHI-UHFFFAOYSA-N 377.488 2.543 0 40 GFAB Cc1cccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)c1C 36634025 ACYNFWXYPXATDR-NRFANRHFSA-N 377.488 2.753 0 40 GFAB COc1ncccc1C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 38486347 NLHXMRBRMRSJJJ-UHFFFAOYSA-N 391.431 2.636 0 40 GFAB CC(=O)N1CC[C@H](c2nn(CCNCc3cccc(Cl)c3)c3nccnc23)C1 72391654 ZHHGFVGDDQQTIR-INIZCTEOSA-N 398.898 2.605 0 40 GFAB CCc1nccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccncc2)C1 72350639 JGELSIYQCWPDBS-KRWDZBQOSA-N 376.464 2.568 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCC[C@@H](C)C2)n1 225900294 PXXNAZBYYPMAHW-OAHLLOKOSA-N 392.573 2.636 0 40 GFAB COc1cc(/C=N/NC(=N)N)ccc1OCc1ccc(Br)cc1 41213465 KOZFALCFTBKSNX-AWQFTUOYSA-N 377.242 2.854 0 40 GFAB CCc1ccccc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 223630413 IYOOZVLWFQZEKI-UHFFFAOYSA-N 378.469 2.513 0 40 GFAB NC(=O)c1cnc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1 574072591 XEVCXZCNUPZGOF-UHFFFAOYSA-N 381.339 2.699 0 40 GFAB Cc1nn2c(nnc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40391960 VODHPKWDTAAELN-KRWDZBQOSA-N 395.394 2.835 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 222822318 YYARKCNWKBSISO-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@@H]2CC[C@@H]1C2 195570909 ZARGVBGIFOXWHK-HFKOTFLCSA-N 390.524 2.909 0 40 GFAB COc1ccc(CN2C[C@H]3CN(C(=O)NCc4ccccc4)CCN3C2=O)cc1 96269084 QQMHFKYPUXLRFY-LJQANCHMSA-N 394.475 2.527 0 40 GFAB biogenic,in-vitro Cc1cccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)c1C 96308951 ACYNFWXYPXATDR-OAQYLSRUSA-N 377.488 2.753 0 40 GFAB COC[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCN(C(C)=O)C1 257236222 HBGSQICKWVQQJL-IBGZPJMESA-N 396.487 2.979 0 40 GFAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCCN2Cc3ccccc3C2)[C@H]1O 257337673 YTWTXSJOJFHXHL-KCZVDYSFSA-N 382.508 2.558 0 40 GFAB CC(C)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257333188 YAOAHWWKXANLRA-SFGWALBWSA-N 395.507 2.702 0 40 GFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3ccnn3C)C2)cc1 257327648 XCESXKJUMPDSNW-QGZVFWFLSA-N 392.507 2.941 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 371246894 IHZLZXAEVBFNKK-SNVBAGLBSA-N 388.777 2.751 0 40 GFAB O=C1C[C@@H](Oc2ccc(NC(=O)c3ccc4nc(O)n(C5CC5)c4c3)cc2)N1 615959056 PJDDYAKJELLQEL-GOSISDBHSA-N 378.388 2.554 0 40 GFAB COc1cccc([C@H](CNC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)N2CCCC2)c1 626744053 AVHKAZOFGCGAKQ-LZQZEXGQSA-N 389.496 2.584 0 40 GFAB O=C(Cc1ccccc1Br)NCc1nc(C2CCOCC2)no1 575609119 YJTNDMKTGSLDBK-UHFFFAOYSA-N 380.242 2.585 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 36768246 GHBKBUCFSVHTSY-HNNXBMFYSA-N 384.407 2.608 0 40 GFAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc21 5903906 FBQFKOZHFVOFQI-UHFFFAOYSA-N 388.464 2.816 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cc1ccncc1)c1ccccc1O2 12222461 KVDLIDFPOZIGLN-XMSQKQJNSA-N 379.460 2.645 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497309 HHFWRFGKCJOBML-RTXPOLOASA-N 392.455 2.685 0 40 GFAB CCN(c1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1)S(C)(=O)=O 13682218 LJGQJRJJVFSAAU-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]3c3ccccc3F)ccc21 15836636 ZUERXDDFQOVQBC-HNNXBMFYSA-N 376.409 2.796 0 40 GFAB O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 19401692 PUZKCQXGPOGINM-KRWDZBQOSA-N 377.448 2.774 0 40 GFAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406829 HLDQBCFPGWKEDS-YQJYENCQSA-N 379.455 2.943 0 40 GFAB CS(=O)(=O)c1cccnc1[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 19573510 XUWQIMAOJWASIX-LBPRGKRZSA-N 380.416 2.783 0 40 GFAB Cc1nc(N2CCCCC2)ncc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 19663552 AYEWNGGHRUBRAF-IBGZPJMESA-N 395.507 2.992 0 40 GFAB CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)CC3CCN(CC)CC3)C2)no1 19693680 VHDFJVOSCOZYDV-MRXNPFEDSA-N 398.511 2.527 0 40 GFAB O=C(c1cc[nH]n1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570890 WJDCQTWZOCGAFQ-UHFFFAOYSA-N 397.475 2.981 0 40 GFAB O=C(C1CCCCC1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576540 PYIWNJYTLLGPAZ-VQTJNVASSA-N 375.509 2.923 0 40 GFAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc[nH]1 5601494 CTOXNMNZXCUPPV-UHFFFAOYSA-N 390.442 2.917 0 40 GFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(F)cc2F)nn1 1888863852 LUMVNRWSEGGKKD-SJPCQFCGSA-N 376.407 2.640 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc4ccccc4oc3=O)C2)c1F 245060672 PUXSWMFAOQHDKT-CYBMUJFWSA-N 383.379 2.578 0 40 GFAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1 2952198 SVXZQOFSLBSFNP-UHFFFAOYSA-N 389.455 2.786 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(c3nsc4ccccc34)CC2)cc1 9306421 JHJFHFGTANWBOQ-UHFFFAOYSA-N 389.502 2.816 0 40 GFAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(F)cc3)cn2)cc1 13809259 FQPBVXBSQCTNJT-UHFFFAOYSA-N 381.407 2.765 0 40 GFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)COc1ccccc1C 206795672 DHZJVAVIFNKQJG-RDJZCZTQSA-N 387.407 2.734 0 40 GFAB O=S(=O)(NC[C@H](OCCO)c1ccsc1)c1ccc(C(F)(F)F)cc1 575621693 REPOJSPDRCDXSO-AWEZNQCLSA-N 395.424 2.795 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1)C(=O)OC 20721890 JEHJXCVOKBAXCT-PZPSRYQVSA-N 388.443 2.794 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(OCc2cscn2)cc1 40012932 LNKQLCSSQHLFSZ-UHFFFAOYSA-N 383.477 2.970 0 40 GFAB CC1CCC(NC(=O)CN2CCN(c3ccc(Br)cn3)CC2)CC1 30200434 KPILMZWHUVNGCP-UHFFFAOYSA-N 395.345 2.661 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)c(OC)c1 51356577 CUGSWLZFLUMHSG-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB CN(CC(=O)NC1CC1)C(=O)CNc1ccccc1CN(C)C1CCCCC1 21698909 WORSDCDLZQEMFU-UHFFFAOYSA-N 386.540 2.600 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)CCC2 21847702 IUMPYHVHYGMJLO-UHFFFAOYSA-N 393.487 2.660 0 40 GFAB CCN1CCN(c2ccc(NC(=O)c3ccc(NC(N)=O)cc3)c(C)c2)CC1 22238034 RWESDVKWCNEVTQ-UHFFFAOYSA-N 381.480 2.880 0 40 GFAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCN(Cc2ccccn2)CC1 23718928 TZRKMVWDRQVCFL-RIYZIHGNSA-N 377.897 2.853 0 40 GFAB O=c1cc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccn12 24113526 GJTKHLGMZWNDNQ-UHFFFAOYSA-N 389.381 2.825 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O 4305535 MOPPRDKGAKOBSF-OAQYLSRUSA-N 399.878 2.856 0 40 GFAB O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCCCC1 4554503 JDDRWAWQYISXHT-RMMWZPCPSA-N 380.488 2.641 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6787996 YTQYPPLWWKWZAZ-UHFFFAOYSA-N 389.415 2.545 0 40 GFAB C[C@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)ccc2O1 10298703 OYKFMVLLDRMQPG-OKHBPPCESA-N 393.355 2.585 0 40 GFAB COCCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10327934 IYEBVLRZLDJALF-UHFFFAOYSA-N 396.896 2.682 0 40 GFAB Cc1cccc(NC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c1C 57507456 RZCONUYJVFWIPS-UHFFFAOYSA-N 388.431 2.890 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1OC 9329276 IUYXYGFSMVLYIM-KRWDZBQOSA-N 382.460 2.990 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCc4ccccc43)CC2=O)cc1 3289198 FTWKRPQFXOVUTF-SFHVURJKSA-N 392.455 2.734 0 40 GFAB CCCCOc1ccc(C(=O)NCC(=O)NCCc2nc3ccccc3[nH]2)cc1 12627344 QVAAUDGXDPXHNY-UHFFFAOYSA-N 394.475 2.831 0 40 GFAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 58177890 KUQIPNNYCKBIOU-LLVKDONJSA-N 377.391 2.658 0 40 GFAB C[C@@]12CC[C@H](C[C@@H]1C(=O)N1CCSCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178360 SRWOMQHWEUBBOO-GNBIQWSPSA-N 386.517 2.907 0 40 GFAB CN(CCOc1ccccc1F)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 58309434 XBMVLSHJBSMPLU-UHFFFAOYSA-N 392.452 2.517 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 28203732 WCKVHPNYMUVUJS-KRWDZBQOSA-N 385.508 2.525 0 40 GFAB CCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 11227410 BNZPLCMXVUHTDD-UHFFFAOYSA-N 382.460 2.885 0 40 GFAB COc1ccc2c(CC(=O)OCC(=O)NC(=O)NCc3ccccc3)coc2c1 3385241 IDPHYJBYFFMGQZ-UHFFFAOYSA-N 396.399 2.553 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC3CCCCC3)C2)cc1 21586602 POXANJMRRPYKTA-OAHLLOKOSA-N 381.494 2.972 0 40 GFAB O=C(O)C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 12806041 XVGJSHWOMCBPLD-ZDUSSCGKSA-N 392.502 2.994 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccc(Cl)cc1 12895122 RJPGAFNYWMGOAV-HNNXBMFYSA-N 379.865 2.836 0 40 GFAB C[C@@H]1CN(c2ccc(NC(=O)CN3CCCCCC3=O)cc2F)C[C@@H](C)O1 46068458 JQQDNKIHAWEDEK-HUUCEWRRSA-N 377.460 2.780 0 40 GFAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@@H](C)c2ccccc2Cl)CC1 29689524 ZKXKUIYPOQXQAV-KBPBESRZSA-N 389.935 2.613 0 40 GFAB O=C1N[C@H](c2ccccc2F)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859134 JKHHWXQVBXGWHG-CPUCHLNUSA-N 382.313 2.930 0 40 GFAB CCOc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc1 20121665 KTXOVRDNPZJSQQ-FQEVSTJZSA-N 384.528 2.914 0 40 GFAB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 13011460 KKNNJZZOVJDTNZ-IFXJQAMLSA-N 375.494 2.607 0 40 GFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 3884873 DEVBMUHGZGUTTC-UHFFFAOYSA-N 398.843 2.688 0 40 GFAB CC1(C)Cc2c(sc3ncn4nc(C(=O)NCc5cccnc5)nc4c23)CO1 13207163 FCVTWONRZKLVDN-UHFFFAOYSA-N 394.460 2.515 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ncc(C)s2)cc1 9218560 ARZWTYOUNRHOIJ-HNNXBMFYSA-N 397.522 2.792 0 40 GFAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1cccc(-n2cnnn2)c1 6085431 PVJJYPBRDKTCKY-UHFFFAOYSA-N 381.436 2.986 0 40 GFAB COc1ccccc1NC(=O)CSc1nnnn1-c1cc(C)ccc1OC 5012527 PBTROCXIIVMUPO-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)c(C)n23)n(C)c1=O 4250845 XFNCMHBQMHCVFZ-UHFFFAOYSA-N 385.855 2.819 0 40 GFAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)C2=NNC(=O)CC2)c2ccccc21 4245844 ZQRHIWJACMENOO-UHFFFAOYSA-N 389.411 2.837 0 40 GFAB C[C@H](Cc1ccco1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 13723297 BKAHUXRAFXCPIO-OAHLLOKOSA-N 395.459 2.842 0 40 GFAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NC1CCCC1 65154425 VXGIICATJWBSLM-UHFFFAOYSA-N 378.432 2.988 0 40 GFAB O=C(Cn1ccccc1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14228817 YIHLKPUUTSQMOA-UHFFFAOYSA-N 387.483 2.782 0 40 GFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-c2nccs2)cc1 14248487 FWJIQZYNJZVYLE-UHFFFAOYSA-N 392.440 2.842 0 40 GFAB Cc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1Br 14228674 RWCJAFQIXAZOLK-UHFFFAOYSA-N 396.310 2.663 0 40 GFAB CCCCc1nc2sc3c(N(CCO)CCO)ncnc3c2c2c1CCC2 5500434 ICKDBLDFKIXCBA-UHFFFAOYSA-N 386.521 2.862 0 40 GFAB CCCCC[C@@H](C)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 4711123 XFUAPFCRZPZMCN-QGZVFWFLSA-N 393.503 2.576 0 40 GFAB COc1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1Cl 15191538 KRRAEOYHBTZKGJ-UHFFFAOYSA-N 379.844 2.932 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21 67218306 XNJOMLUPMHENKE-UHFFFAOYSA-N 385.489 2.747 0 40 GFAB CCN(C(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O)c1ccccc1 67316991 CMIQVJUGCMMOPJ-UHFFFAOYSA-N 397.504 2.896 0 40 GFAB O=C(NCc1ccco1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 67334587 DGHFLVSSCKBHBT-UHFFFAOYSA-N 380.404 2.629 0 40 GFAB COc1ccc(CCNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1OC 16227283 WXVIFWLRJSRBEE-HNNXBMFYSA-N 398.459 2.567 0 40 GFAB CN(CC(=O)Nc1nc2c(s1)CCCC2)S(=O)(=O)/C=C/c1ccccc1 7990671 IESBQTDQZQXZIX-VAWYXSNFSA-N 391.518 2.893 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc(S(C)(=O)=O)cc1)O[C@H](C)C2 8271808 NKHQTBQNWWHBHX-CYBMUJFWSA-N 389.473 2.742 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1cccc(F)c1 17524984 SGROPFJKWGVWDC-UHFFFAOYSA-N 394.468 2.857 0 40 GFAB Fc1ccc(CN2C[C@H]3Cc4cnc(NCCN5CCCC5)nc4[C@H]3C2)cc1 306130606 JKUMCOQTDNWRFT-QUCCMNQESA-N 381.499 2.895 0 40 GFAB Cc1cc(C(=O)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(C)s1 9883075 SKDIUNDQYAVBOL-UHFFFAOYSA-N 377.466 2.614 0 40 GFAB Cc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1C 408733978 UACSDXPGUDFCNJ-QZTJIDSGSA-N 399.450 2.780 0 40 GFAB CCn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cn1 548633543 CWPOITBQFXYMRC-OAHLLOKOSA-N 382.443 2.831 0 40 GFAB Cc1cc(C=O)c(C)n1NC(=O)COc1ccccc1I 408568644 VRSXDQALYCMXLV-UHFFFAOYSA-N 398.200 2.671 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCO[C@@H](CCc2ccccc2)C1 541676117 SBEWZICKLOVLOD-IBGZPJMESA-N 378.436 2.528 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218598309 NHVPZIMWEBWGRF-HBFSDRIKSA-N 391.464 2.582 0 40 GFAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)N(C)C 199418413 CTHQFVWCBWOYPO-UHFFFAOYSA-N 399.447 2.763 0 40 GFAB Cn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCCC4=O)cc3)ccc21 225049980 YXCUFTAMYHEIBR-UHFFFAOYSA-N 381.457 2.975 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 223796995 KRXDWOOEGHFGSK-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB CSc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)C(C)C 223977571 UKXYUFPFTOEBHK-UHFFFAOYSA-N 379.507 2.877 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1ccccc1F 222649975 GBALAUIFFYDCIP-UHFFFAOYSA-N 378.469 2.731 0 40 GFAB Cc1ccc(Nc2nc(NCCCN3CCOCC3)nc3nccnc23)cc1 40227560 NWYGVHCQUZFKDH-UHFFFAOYSA-N 379.468 2.606 0 40 GFAB COc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1Cl 96099848 RFTVNEZXCQTVKL-UHFFFAOYSA-N 387.914 2.752 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1F 96259336 KGONTRNYODVKHK-UHFFFAOYSA-N 392.500 2.521 0 40 GFAB CC(=O)NCC(=O)N[C@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 96079106 OOXAZGIHPHRZTE-NRFANRHFSA-N 377.488 2.922 0 40 GFAB Cc1cnc(C(=O)N2[C@@H](c3ccccc3)C[C@@]3(C)[C@@H](O)[C@H](O)CCC[C@@H]23)cn1 257307874 TULPOQADIAONOO-MMXRJIGESA-N 381.476 2.653 0 40 GFAB CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)c2sc(C)nc2C)CC1 12365751 FPEZSFNACSFYGX-CQSZACIVSA-N 378.523 2.946 0 40 GFAB COC(=O)N(C)C[C@]12C=C[C@](C)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 13410203 VLTDCCSJLCASIJ-UWVGGRQHSA-N 377.051 2.699 0 40 GFAB Cc1cnc(C(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)cn1 13227796 PNNHULTWSCMYBG-MRXNPFEDSA-N 383.477 2.525 0 40 GFAB CCOC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 16222292 NBJPRWFFJNZWLZ-UHFFFAOYSA-N 381.384 2.824 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)n1C 19457734 WSSCCLNEPJXLDW-CJNGLKHVSA-N 384.509 2.887 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529571 NAZXNBZGXAPWPN-RQXXJAGISA-N 396.418 2.598 0 40 GFAB CCN(C(=O)c1cnccn1)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 19712659 BTTFHCWRVLEEAL-QUCCMNQESA-N 396.491 2.997 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 8221944 RFYVNMMTICOXOL-DZZSIBQASA-N 388.445 2.853 0 40 GFAB CC(C)c1cc(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)no1 12220451 VMTOFFNJTSQNQF-UHFFFAOYSA-N 383.408 2.968 0 40 GFAB COc1cc2cc(N)c(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2cc1OC 12230828 IBIYMWVRKYTWQC-KRWDZBQOSA-N 385.464 2.719 0 40 GFAB C[C@@H]1CCC[C@@H](NC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CC1 682378344 FQELXVAVJMDJSF-HUUCEWRRSA-N 383.514 2.705 0 40 GFAB O=C1CSc2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)cc2N1 4581646 UCAYFIJCOPKRHH-UHFFFAOYSA-N 385.397 2.542 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(c5ccc(C(F)(F)F)nn5)C[C@H]4C3)n1)CCC2 1888869540 RLXZJFFLNDMLAD-STQMWFEESA-N 390.413 2.655 0 40 GFAB Cn1cnc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1 1888879512 ZXJFOCBKNVQTHP-UHFFFAOYSA-N 396.495 2.692 0 40 GFAB Cc1cc(C(=O)N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)no1 1888890931 FAGJOSIHXNILJC-UHFFFAOYSA-N 384.411 2.693 0 40 GFAB CC(=O)N1CCN(c2cccc(C)n2)C[C@@H](Cc2ccnc3cccnc23)C1 2037838455 HRANFEXQVCKSLJ-SFHVURJKSA-N 375.476 2.861 0 40 GFAB Cc1nc(CN2CC[C@]3(C2)CN(C(=O)CC2(O)CCC2)CCC3(F)F)cs1 1565555176 VHZYUIVCEXUIJX-KRWDZBQOSA-N 399.507 2.816 0 40 GFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 4945213 WQHCPDUCQGCDEL-UHFFFAOYSA-N 391.475 2.930 0 40 GFAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(F)c3)CC2=O)cc1 9036126 UPLTYNNEFNMBMN-CQSZACIVSA-N 392.452 2.556 0 40 GFAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCCCC4)c3)n2)cc1 48990120 DKFYFBCACPZACL-UHFFFAOYSA-N 378.432 2.886 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)no1 49027021 UJDHJKOUMGADCG-UHFFFAOYSA-N 393.447 2.719 0 40 GFAB COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(OC)cc2)o1 4076204 QEBCAHLPAMQKLU-UHFFFAOYSA-N 397.416 2.891 0 40 GFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 12290738 SGVKFGHITCHPBJ-UHFFFAOYSA-N 386.260 2.985 0 40 GFAB COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc1 16026265 RAWOHIWYAHGABO-FXCLAUTBSA-N 377.444 2.966 0 40 GFAB biogenic O=C(CCCc1nnc2ccccn12)NC1CCN(Cc2ccccc2)CC1 96116588 NECQKCCVXCYXHB-UHFFFAOYSA-N 377.492 2.833 0 40 GFAB Nc1nccnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31938503 UNAJMGIJNXDSOY-UHFFFAOYSA-N 379.489 2.745 0 40 GFAB Cc1ccc(-n2nc(CO)c(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1C 21172953 VRVBEDIFEHZHIW-UHFFFAOYSA-N 389.459 2.830 0 40 GFAB O=C(NCc1ccco1)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102334744 KJDXXVXBZRNICE-AZHAFVHUSA-N 386.429 2.733 0 40 GFAB Cc1nc(SCC(=O)N[C@H](C)CCc2ccccc2)sc1CC(N)=O 32871315 CJNQAIQAVRBWKG-GFCCVEGCSA-N 377.535 2.709 0 40 GFAB CCCCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc(C)c1C 32895004 BCPUEPQPYKJOGD-UHFFFAOYSA-N 396.538 2.678 0 40 GFAB COc1ccc(C)cc1N1C[C@H](C(=O)NCC2(N(C)C)CCCCC2)CC1=O 32960800 FTFLUDPBMCIFJL-QGZVFWFLSA-N 387.524 2.737 0 40 GFAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 674127 CODDEWBQUQMCBG-UHFFFAOYSA-N 390.461 2.996 0 40 GFAB COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c1 1291820 DDTYPGOTWYJEBW-GOSISDBHSA-N 399.451 2.855 0 40 GFAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Cl 1985834 ZRCWZHVSFNPKNQ-OAHLLOKOSA-N 386.835 2.870 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NC(=O)NC1CCCCC1 2652992 GQPJFGVMPNCNLR-UHFFFAOYSA-N 398.463 2.804 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cnc(Cl)c(Cl)c1 2660135 BFLYMCOKPAXSKZ-UHFFFAOYSA-N 394.258 2.894 0 40 GFAB COc1ccc(CNC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)cc1 2690042 JPXXBIGBEOWZOC-UHFFFAOYSA-N 383.477 2.569 0 40 GFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3610596 AISDNAZTKQVTCC-OAQYLSRUSA-N 377.400 2.516 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(F)c(F)c3)cc12 4032818 VPDUEXRCMYISEV-UHFFFAOYSA-N 388.370 2.796 0 40 GFAB COCCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccco1 4161473 NAQBNFDTJUBTPH-UHFFFAOYSA-N 386.477 2.983 0 40 GFAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(C(C)C)c(C)cn34)n(C)c2=O)c1 4370462 YTBFRDUNJADEBP-UHFFFAOYSA-N 379.464 2.704 0 40 GFAB CCOc1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccccc3)nc2)cc1 4742601 JKJFRNUKOIFTPR-UHFFFAOYSA-N 398.444 2.928 0 40 GFAB Cc1nc2sc3c(SC[C@H](O)CO)ncnc3c2c2c1COC(C)(C)C2 5246017 TYJYJGKTOFJNAB-SNVBAGLBSA-N 391.518 2.845 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 5260163 PGLMEPITRXQBCV-UHFFFAOYSA-N 394.518 2.970 0 40 GFAB CC1CCN(C(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)CC1 5451649 LXCRYZAOCHEUHB-UHFFFAOYSA-N 382.489 2.715 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2Cl)CC1 6315934 JCPUZLQBRRUUJP-UHFFFAOYSA-N 396.878 2.858 0 40 GFAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NC(N)=O)c(C)c1 6365649 KUOBEAWIWBDEGP-UHFFFAOYSA-N 395.488 2.762 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc(Cl)s3)nc2c1 7134490 OKBRPHGAODKRAJ-UHFFFAOYSA-N 378.793 2.782 0 40 GFAB C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)c1nc2ccccc2c(=O)[nH]1 7140828 AAXAKZLRKVUIAK-LBPRGKRZSA-N 379.372 2.526 0 40 GFAB C[C@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(N(C)C)cc4)c(=O)c23)C1 7995122 AZDDYWJYYDAVSV-LBPRGKRZSA-N 397.504 2.683 0 40 GFAB Cc1cc(I)ccc1S(=O)(=O)n1nnc2ccccc21 8132503 LLFNBPXHWULBHX-UHFFFAOYSA-N 399.213 2.581 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1ccccc1 8345433 SIRHNSLVOPTXAA-NRFANRHFSA-N 399.450 2.790 0 40 GFAB Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 8707580 LUAIGEBAIDCFQI-UHFFFAOYSA-N 398.532 2.662 0 40 GFAB CCn1c(CSc2nccc(C)n2)nc2cc(NS(C)(=O)=O)ccc21 9421261 NYQYOQVZOOFENY-UHFFFAOYSA-N 377.495 2.818 0 40 GFAB CN(C)c1ccc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 9574129 OAYVDFGXTINXCP-UHFFFAOYSA-N 387.443 2.994 0 40 GFAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)ccc21 10855475 STJGTWMAVVPNQI-AWEZNQCLSA-N 378.432 2.581 0 40 GFAB O=C(Cn1nnc(-c2cccs2)n1)Nc1cc2c(cc1Cl)OCCCO2 10930195 CWOLNRPHWJNTMU-UHFFFAOYSA-N 391.840 2.855 0 40 GFAB CN(C)C(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11120884 AMYCIWWNVXTSHL-UHFFFAOYSA-N 395.278 2.713 0 40 GFAB O[C@]1(c2ccc(F)cc2)CC[C@@H]2CN(Cc3ccnc(N4CCCC4)n3)C[C@@H]21 12124556 BFFLNTCYXPQWCV-BUVFEPMLSA-N 382.483 2.946 0 40 GFAB O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1F 12290911 OOFYCHILHDRHDB-UHFFFAOYSA-N 378.394 2.817 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 12327201 CVCNASVXPRSYPF-FQEVSTJZSA-N 377.488 2.922 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1ccccn1 12551564 OORBFPAPXWFZBU-QGZVFWFLSA-N 391.924 2.945 0 40 GFAB Nc1nc(Cn2cnc3ccccc3c2=O)nc(Nc2ccc(Cl)cc2)n1 12774685 BAPILHWIRBRYFA-UHFFFAOYSA-N 379.811 2.609 0 40 GFAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)CC1 12783757 OLPRLTYPBDXLHI-VQHVLOKHSA-N 376.453 2.796 0 40 GFAB C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 12815739 LGVQRWRVVGZSRF-YTXTXJHMSA-N 394.493 2.566 0 40 GFAB CCn1nc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2c1=O 12917460 IVBTYYPWYBJGNW-UHFFFAOYSA-N 394.822 2.903 0 40 GFAB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)o1 12921105 YVIMAJNDGFXEHR-VIFPVBQESA-N 376.434 2.669 0 40 GFAB CC(C)CNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 12989501 GKMCHNCUARHIKV-UHFFFAOYSA-N 378.519 2.881 0 40 GFAB O=C(COc1ccccc1Cl)NC[C@@H](c1cccs1)N1CCOCC1 13012364 JSUCIRNWQLBONN-HNNXBMFYSA-N 380.897 2.970 0 40 GFAB CCC[C@@H](C)NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13586018 HKIRFNBQPAAVIW-CYBMUJFWSA-N 384.523 2.809 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 14170835 TXEUJAGBUVQWAB-UHFFFAOYSA-N 381.432 2.925 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 14188492 CSKQXMMDPIIJJJ-OALUTQOASA-N 386.492 2.706 0 40 GFAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)COc1cccc(Br)c1 14235880 ZRIULNJHSIHKCW-ZDUSSCGKSA-N 382.254 2.508 0 40 GFAB Cc1cnc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cn1 14801386 MOWZZJCTXQDQIJ-UHFFFAOYSA-N 385.427 2.864 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 14937025 AJGZBKNDGRRSIO-CYBMUJFWSA-N 387.461 2.733 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C2CC2)sc(CC)c1C 15050767 IPAFOGIQNIWLQQ-UHFFFAOYSA-N 395.510 2.848 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 19020417 PUTAMTGRHYOWFH-OAQYLSRUSA-N 395.459 2.582 0 40 GFAB Cc1nccn1CC1(O)CCN(C(=O)CCCOc2cccc(F)c2)CC1 19287844 LOEOASPXHGGMPK-UHFFFAOYSA-N 375.444 2.543 0 40 GFAB COc1ncccc1-c1cc(=O)[nH]c([C@H]2CCN(C(=O)c3cccc(F)c3)C2)n1 19594689 PBHJUKWKNCPJFH-AWEZNQCLSA-N 394.406 2.609 0 40 GFAB COCC(=O)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693093 JGHGVBVIJPBEBW-AWEZNQCLSA-N 381.354 2.709 0 40 GFAB NC(=O)c1[nH]c([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc1-c1ccccc1 19703751 AERWEZVIUBPHQR-MRXNPFEDSA-N 375.432 2.590 0 40 GFAB Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 19716915 IMLCWMOHKJPPQL-INIZCTEOSA-N 390.509 2.874 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccccc1OC)S(=O)(=O)c1ccccc1 20014565 KELAHBGELUCGJD-OAHLLOKOSA-N 376.478 2.583 0 40 GFAB CSc1cccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 21847528 BGCAUHPZRMDXKL-UHFFFAOYSA-N 399.516 2.894 0 40 GFAB CCCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 22512797 NBKIIZXZBTWQHQ-CYBMUJFWSA-N 390.933 2.963 0 40 GFAB O=c1cc(CN[C@H](CN2CCOCC2)c2ccccc2)nc2ccc(Cl)cn12 22917159 ISSRUIKHMBZZDJ-LJQANCHMSA-N 398.894 2.511 0 40 GFAB CN1C(=O)c2ccc(NC(=O)COc3cccc(C(F)(F)F)c3)cc2C1=O 24020505 PDPRHJOMKRHCLV-UHFFFAOYSA-N 378.306 2.949 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCN(Cc2ccccc2)CC1 24591027 MJZHGIXHQZAXOQ-UHFFFAOYSA-N 393.409 2.648 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 32776860 FWDDCDULSZIYEL-GOSISDBHSA-N 390.461 2.868 0 40 GFAB Cc1cc(SCC(=O)Nc2ccc3c(c2)OCO3)nc(-c2cnccn2)n1 33301567 QMWZDAOAXLLPMD-UHFFFAOYSA-N 381.417 2.702 0 40 GFAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)o1 35058807 RYTIEZXOWYEXGN-IZZDOVSWSA-N 378.318 2.804 0 40 GFAB COc1cccc(COC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1OC 36395627 HAKLPOWUEZPARO-UHFFFAOYSA-N 391.445 2.601 0 40 GFAB CCn1nc(C)c(S(=O)(=O)NCCn2nc(C(F)F)cc2C(F)F)c1C 36615233 CGNLXLIKDNNEPV-UHFFFAOYSA-N 397.398 2.570 0 40 GFAB Cn1c(-c2ccccc2)cnc1NC(=O)C[C@H]1NC(=O)N(C2CCCCC2)C1=O 36752178 ZRLUBESZLCSFKD-MRXNPFEDSA-N 395.463 2.669 0 40 GFAB CCn1cc(C(=O)N2CCC[C@@H](c3nnc(C)s3)C2)c(=O)c2ccc(C)nc21 42380324 MMCOYKKERCGOIW-CQSZACIVSA-N 397.504 2.905 0 40 GFAB Cc1ccc(CN(C)C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 44901366 SGJVJHHQFVONAW-UHFFFAOYSA-N 382.432 2.698 0 40 GFAB COC(=O)CCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 46086958 GMYDMSXXXWXWSI-QGZVFWFLSA-N 376.497 2.808 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492064 OKQUCMRVOFKTEI-UHFFFAOYSA-N 385.489 2.747 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 58108147 JMCJSYPANDUFKF-UHFFFAOYSA-N 375.812 2.888 0 40 GFAB CC(C)(CNC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1F 58245763 LNMSLQLSFQSELA-UHFFFAOYSA-N 377.504 2.857 0 40 GFAB CC(C)[C@@H](C(=O)Nc1cccc(N2CCOCC2)c1)N1C[C@H](C)O[C@H](C)C1 58294010 GDITXNYTDJZPEC-QKLQHJQFSA-N 375.513 2.596 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C 58323721 HHOHUEAUFNDSGY-GOSISDBHSA-N 390.505 2.522 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(F)cc1F)O2 64988621 GWKRLBKPXXMKPJ-QGZVFWFLSA-N 396.415 2.829 0 40 GFAB O=c1ccc(-c2ccccc2F)nn1CN1CCN(Cc2ccccc2)CC1 66791942 YRDOHNJLCIYHPB-UHFFFAOYSA-N 378.451 2.825 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2cccnc2)Oc2ccccc21 72338986 CSOMFKMFUCXVEM-LVOOAJGHSA-N 377.444 2.653 0 40 GFAB O=C(N[C@@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 72373040 KTSMHVQMKCNDOR-FSSWDIPSSA-N 392.499 2.913 0 40 GFAB CCCc1noc(CN2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)n1 79053464 RSMGGCKCGNDPOK-CQSZACIVSA-N 379.530 2.894 0 40 GFAB COc1ccc(NC(=O)c2cn(C[C@@H](O)c3cccs3)nn2)cc1Cl 90590568 VRCNDTLNZWEXIG-CYBMUJFWSA-N 378.841 2.988 0 40 GFAB CC(C)c1nc2cc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)ccc2n1C 95476503 HBKBQSDUDRZMSQ-GOSISDBHSA-N 375.436 2.911 0 40 GFAB Cn1cc(-c2csc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)n2)cn1 95961216 PIVZBVVGIZNOGU-UHFFFAOYSA-N 396.881 2.853 0 40 GFAB CC(C)(C)S(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 96103449 DICPHPPYMJUJDY-NSHDSACASA-N 399.456 2.682 0 40 GFAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(OC)cc3)ccc21 96321931 UDHNBVAAORWORX-UHFFFAOYSA-N 392.502 2.960 0 40 GFAB CCOc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2nccn2C)cc1OC 100149910 OAAVBCNEPSPULD-QZTJIDSGSA-N 385.508 2.947 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102822521 PXASUTKJCIXQEK-CALCHBBNSA-N 392.883 2.743 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1nc(Cc2ccccc2)ns1 107198019 GRHFVOMAGLAVSX-UHFFFAOYSA-N 394.456 2.883 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1Cc1ccc(I)cc1 168093176 OEDCLHKPZZFZSE-UXOAXIEHSA-N 393.224 2.988 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169309876 WMTBKKBQNKWDRP-OZQHCQBDSA-N 396.418 2.516 0 40 GFAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217584391 DEMWZEPYBCHWHT-CYBMUJFWSA-N 384.498 2.833 0 40 GFAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 220162654 SKGBDGTVWZOMDZ-HUUCEWRRSA-N 376.478 2.727 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCc1ccccc1)S(C)(=O)=O 220325333 IWRCQKCQRYIMJO-MRXNPFEDSA-N 390.505 2.517 0 40 GFAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 222864380 NSAHOQNYLCRVGD-ROUUACIJSA-N 381.509 2.785 0 40 GFAB COCc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 223622324 WSMNZLOLXRHLTE-UHFFFAOYSA-N 376.478 2.855 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 224065516 FVICSXZCACFLFP-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)COc2ccc(OC)cc2)ccc1C 225051365 UMAOTJCLIVUVAM-AWEZNQCLSA-N 393.461 2.536 0 40 GFAB Cc1nc2cc(CCC(=O)N[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)ccc2[nH]1 257262108 LKBQPNDGAFTAPH-YFVAEKQCSA-N 381.480 2.580 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1cccc(OC)c1 257283060 OWPXQBXNPMUJPS-CTNGQTDRSA-N 387.524 2.547 0 40 GFAB CN1CCN(Cc2cccnc2)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306128341 GXVXLGLYLLWKGE-FQEVSTJZSA-N 376.508 2.818 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 408627058 XSVPKMJJPZAOSZ-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2nc(C)cc(C)n2)c(F)c1F 408628628 VNPXHQAVYDKHRZ-UHFFFAOYSA-N 388.346 2.785 0 40 GFAB COC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 509654412 UTULJHGCJKAOHV-HZMBPMFUSA-N 387.263 2.666 0 40 GFAB COc1ccc(C(=O)CN(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1OC 575420876 FFXFTWRXBORNLX-QGZVFWFLSA-N 389.473 2.580 0 40 GFAB CC(C)C[C@@H](C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1)n1cccc1 575442947 DEZCGEZQNPAUQS-NRFANRHFSA-N 384.524 2.828 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575609128 JDEBMOSHXJPSJG-CQSZACIVSA-N 385.848 2.810 0 40 GFAB COC(=O)c1ccc(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1 575611912 IHQOPMFJCOHFKJ-QFIPXVFZSA-N 383.444 2.517 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1cncc(N2CCCC2=O)c1 575618157 DWYWTJGMOVWZIR-UHFFFAOYSA-N 393.422 2.678 0 40 GFAB CC(C)C[C@H](C(=O)O)[S@@](=O)Cc1cc2c(cc1Br)OCCO2 584824303 URXYZLWYHVIUKV-PEBXRYMYSA-N 391.283 2.968 0 40 GFAB O=C1CC[C@H](NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C2(CCC2)N1 585080410 ISFPXUCAKVSMAV-AWEZNQCLSA-N 392.381 2.822 0 40 GFAB Cc1cccc(COCC[C@@H]2CCOC23CCN(S(=O)(=O)C(C)C)CC3)n1 585093554 IHGYSAVWWVAASL-GOSISDBHSA-N 396.553 2.906 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2nccnc2Nc2ncccn2)C1 585292952 QEQQUHYAUCBPEX-QZEKMECESA-N 386.459 3.430 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1c1ccc(Cl)cc1 649249129 SYUBHLPJJDQDHK-XOKHGSTOSA-N 385.851 2.562 0 40 GFAB CN1CC[C@@H](C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c2ccccc21 676808564 PLFDAFHSXAYTLN-CYBMUJFWSA-N 381.461 2.799 0 40 GFAB Cc1nn(C)cc1CN1CCC[C@@H](COc2ncc(Br)cn2)C1 1776009281 ZEFIZMXNYZRYAG-CYBMUJFWSA-N 380.290 2.572 0 40 GFAB Cc1nc(C)c(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)s1 1888891011 WAEGPTXRCDXYHJ-GJZGRUSLSA-N 381.505 2.855 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc12 23191006 SIRMHJCRHABNHW-OAHLLOKOSA-N 395.438 2.907 0 40 GFAB O=C(NCCc1ccccc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 2932856 BWCRHIZKCSDEQA-UHFFFAOYSA-N 384.439 2.812 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3F)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 780619 SELLBKADZAKJMX-IBGZPJMESA-N 389.386 2.500 0 40 GFAB aggregator CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(OC)cc3)cc2c1 1366876 CVHAXWCBVIANLI-UHFFFAOYSA-N 396.443 2.570 0 40 GFAB COC(=O)c1cc(Cn2ncc3c4cc(OC)ccc4n(C)c3c2=O)cs1 79478066 NXXFIGVTPCKGRG-UHFFFAOYSA-N 383.429 2.793 0 40 GFAB CN(C)S(=O)(=O)c1ccc(SCC(=O)c2ccc3c(c2)CCC3)nc1 12545651 WCIIOMIHBNSWBP-UHFFFAOYSA-N 376.503 2.796 0 40 GFAB O=C([C@H]1CN(Cc2nnsc2Cl)c2ccccc2O1)N1CCCCC1 12516343 CAFYYUWXTPZQJW-OAHLLOKOSA-N 378.885 2.972 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1ccc(OC)cc1 4426360 DOZHTPDPUNSDHB-SFHVURJKSA-N 377.404 2.671 0 40 GFAB CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cnccn1 12536598 YOIJEYFYXXYQJZ-UHFFFAOYSA-N 391.497 2.581 0 40 GFAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 7387116 LIMZOSWHXYDZBD-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cnc(-c4ccccc4)nc3)ccc21 12560574 LNAWGEWHUCYQMB-UHFFFAOYSA-N 394.456 2.853 0 40 GFAB CN(C)C[C@@H]1[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 22591147 PIJASLBJPRDNRA-MQSCRBSSSA-N 386.536 2.632 0 40 GFAB Cc1sc2ncn(CC(=O)N3CCO[C@@H](c4ccccc4)C3)c(=O)c2c1C 27910256 BRYJKEWAWZOIFK-MRXNPFEDSA-N 383.473 2.675 0 40 GFAB CCOc1ccc(NC(=O)CN(C)C(=O)CCc2cccnc2)cc1OCC 20924030 KEZACOYGFQVOKL-UHFFFAOYSA-N 385.464 2.909 0 40 GFAB Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36618995 UMSFCUGEFXAPDR-ZDUSSCGKSA-N 393.426 2.501 0 40 GFAB Cc1cc(C)cc(OCCN(C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 29153693 RCEROFRQVYDAFR-AWEZNQCLSA-N 375.494 2.802 0 40 GFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(=O)n(CCOc2ccccc2)n1 12943365 OSSMNHZHTFAYSH-GOSISDBHSA-N 391.427 2.576 0 40 GFAB CC[C@H]1CCCCN1CC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)OC 4064615 FKCDQXJINAXMSS-YWZLYKJASA-N 383.492 2.859 0 40 GFAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 28188696 KVLCCSHCCYNTIO-UHFFFAOYSA-N 392.462 2.577 0 40 GFAB COc1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)c(OC)c1 6114304 PNPOYZBSNAATQQ-UHFFFAOYSA-N 397.427 2.866 0 40 GFAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 14244279 YCFMRADLNXTDDZ-QGZVFWFLSA-N 391.475 2.911 0 40 GFAB CN(C(=O)COCCOc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 72305472 YQCXARYRPVHSFQ-MRXNPFEDSA-N 378.469 2.550 0 40 GFAB O=C(Nc1ccc(I)cc1)c1cccc(-n2cnnc2)n1 21157326 RAEIZGPONKFZEE-UHFFFAOYSA-N 391.172 2.519 0 40 GFAB CNC(=O)C1(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 66841798 YKVCAEAKLVMIMM-UHFFFAOYSA-N 384.307 2.600 0 40 GFAB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc2c(c1)OCCO2 4937332 RAJGCUXPYGMAEZ-LBPRGKRZSA-N 397.456 2.824 0 40 GFAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)O)S(C)(=O)=O)cc1Cl 20237500 YRHRAPCVEWYTHJ-UHFFFAOYSA-N 396.852 2.751 0 40 GFAB CCn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nnc1C1CC1 7618635 MOOMZNOFTXONPX-LBPRGKRZSA-N 388.493 2.916 0 40 GFAB O=C(NC[C@H]1CCCO1)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 9583700 QTMFRKTYLYQLOY-QZTJIDSGSA-N 395.488 2.791 0 40 GFAB O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(Oc2ccc(F)cc2)nc1 84419187 RUIGNAHWYXJYPD-HNNXBMFYSA-N 396.465 2.872 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)Cn2cnc3ccccc3c2=O)cc1 8152481 BSVQNPRPQNHPDA-UHFFFAOYSA-N 379.460 2.889 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCc3ccc(OC(F)F)cc3)ccc2N1 19999927 UALFAPFVIRIXBF-UHFFFAOYSA-N 382.388 2.651 0 40 GFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 8319318 UFJQBOXRPCYEOL-QGZVFWFLSA-N 396.443 2.640 0 40 GFAB C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cc(Br)cn1 28304921 IXWREPYUUCRPQH-LBPRGKRZSA-N 381.249 2.695 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1 408701287 VOBDXFCQYFHFDZ-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 408596072 RDAXRJWBQOGWNM-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCc2ccc(F)cc2)C3)cc1 72346476 GSSICNAFPIDFBL-LJQANCHMSA-N 381.407 2.527 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1C 408602265 CQOOAGGIJNYMSZ-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB O=C(c1cccs1)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 36386343 CRGFAJQGXPLESK-LJQANCHMSA-N 383.517 2.870 0 40 GFAB COc1cccc(OC)c1CNC(=O)c1cn2c3c(cccc3c1=O)CCC2 225859686 HCTNDRFSPSFNJI-UHFFFAOYSA-N 378.428 2.895 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN(C)C)c2)c1 224138337 GOQKNQVQJOCFJZ-UHFFFAOYSA-N 389.521 2.502 0 40 GFAB O=C(CN1C(=O)CCCc2ccccc21)Nc1ccc(N2CCOCC2)cc1 227169144 CVOATMQEHIVHPZ-UHFFFAOYSA-N 379.460 2.831 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)c(C)c1 45970497 OFENLAZSKOCSNV-UHFFFAOYSA-N 383.477 2.709 0 40 GFAB CN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccc(F)cc1 226036401 GTAZTLJJNBPLFK-UHFFFAOYSA-N 379.438 2.695 0 40 GFAB COc1cccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222838374 DGPITXQKJLTTHA-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 514289656 XYEPBXVKFWDSRA-STQMWFEESA-N 376.432 2.775 0 40 GFAB biogenic,in-vitro O=C(c1ccno1)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 96079605 OMZFQNAQZRAZKK-UHFFFAOYSA-N 375.432 2.659 0 40 GFAB O=C(N[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)[C@H]1CCOC1 96079078 ARRVTCHOCUNICD-LPHOPBHVSA-N 378.476 2.612 0 40 GFAB Cc1nn(C)cc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C)on1 257291062 QFLCDGGENODTNF-CWWINAKGSA-N 383.496 2.861 0 40 GFAB Cc1c[nH]c(-c2cc(C[C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ncn2)n1 257326933 WZDQBEWROPCCFA-INIZCTEOSA-N 379.439 2.948 0 40 GFAB O=C1C[C@@H](Sc2nnc(-c3ccncc3)[nH]2)C(=O)N1c1ccc(Cl)cc1 256055724 QVXGDXSWYPOGSL-CYBMUJFWSA-N 385.836 2.944 0 40 GFAB CNCCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CNCC[C@@H]32)c1 257218064 DBSGJCUGCXMSIZ-FKBYEOEOSA-N 379.504 2.503 0 40 GFAB Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253568715 LONIVXUGOWXYRZ-KGLIPLIRSA-N 395.463 2.934 0 40 GFAB Cc1cccc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc12 390828375 QVHQNAYWGNMGJK-UHFFFAOYSA-N 391.460 2.655 0 40 GFAB O=C(NC1CCCC1)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 585094642 CVGWCLBHABSOKR-LJQANCHMSA-N 377.448 2.620 0 40 GFAB CC(C)(C)n1nnc(CC(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)n1 685939021 LBFKKDHOXIHZGE-UHFFFAOYSA-N 376.424 2.548 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 30861782 PFHLPLUDQFGFKO-INIZCTEOSA-N 383.448 2.537 0 40 GFAB O=C1N[C@@]2(COC3(CCN(C(=O)c4cccs4)CC3)C2)Nc2ccccc21 72325179 CAPMVEVWRSEKDD-FQEVSTJZSA-N 383.473 2.695 0 40 GFAB Cc1cc(I)ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101393178 HGECLFRJMUQNGK-DUBDDPSESA-N 379.197 2.911 0 40 GFAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(c3nccnc3C)CC2)cc1 685050619 CCMVRNWLHAQVDX-RBUKOAKNSA-N 381.480 2.571 0 40 GFAB O=C(Cc1ccc(F)cc1Cl)NCCn1nc2c(cc1=O)CCCCC2 105779783 YCXVLURSWIBFJB-UHFFFAOYSA-N 377.847 2.664 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153059 ADZSRQVZDWXMSO-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccc(-c2ccco2)o1 1775966260 WBYXZEKTUZOILP-HNNXBMFYSA-N 389.429 2.553 0 40 GFAB COc1cccc(-n2nnc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc32)c1 5033240 WARSWLONQMOJTC-UHFFFAOYSA-N 395.806 2.522 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781310 VQXSDPWHUZCHPB-UHFFFAOYSA-N 392.415 2.511 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 11806362 GNEBAWUCHFIQDG-PBHICJAKSA-N 378.469 2.757 0 40 GFAB Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)NC(C)(C)C)nc3c2c1C 12131645 RDZMRNVJMDHCAR-UHFFFAOYSA-N 375.498 2.761 0 40 GFAB Cc1cc(C)c2c(c1)cc(C)c1nn(CC(=O)Nc3c(C)nn(C)c3C)c(=O)n12 12182020 UNNAKOIGRIFVFH-UHFFFAOYSA-N 392.463 2.564 0 40 GFAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 12374013 FDHQRPDYVIPOME-UHFFFAOYSA-N 381.480 2.793 0 40 GFAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 13649615 FZMJIXPUNAGGMS-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB Cc1cc2c(nc1C)sc1c(=O)n(CC(=O)NCCc3ccccc3)cnc12 13718912 JIIRINVFEPYUHK-UHFFFAOYSA-N 392.484 2.982 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCc1ccc(OC(F)F)cc1 16694933 DUZSJHFMVILNFG-HOTGVXAUSA-N 394.418 2.512 0 40 GFAB Cc1ccc2c(c1)cc(C(=O)NC[C@@H](c1cccnc1)N1CCOCC1)n2C 19661167 QBHAJBIONQCJQN-NRFANRHFSA-N 378.476 2.685 0 40 GFAB C[C@@H](CNC(=O)Cn1cccc2cc(-c3ccc(F)cc3)nc1-2)n1cncn1 12220734 LSGNELJPMQXJPV-AWEZNQCLSA-N 378.411 2.763 0 40 GFAB C[C@H]1OCCC[C@H]1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 668293231 WSZGOPQVSJKABJ-MPESAESLSA-N 396.281 2.891 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@H]3C)nnc12 1331775 AUTJAEPIEUMSCO-CQSZACIVSA-N 399.520 2.947 0 40 GFAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc(O)cc1=O 3477043 FFYYFLDZEAUFBT-MRXNPFEDSA-N 387.505 2.891 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1ncc(-c2ccccc2)o1 5349902 NWYNHKJQIOUBNQ-HOTGVXAUSA-N 380.400 2.726 0 40 GFAB COc1cc(/C=C/C(=O)NCCc2ccc3c(c2)OCCO3)cc(OC)c1OC 6278033 GWSNVIOVVSWCQG-FNORWQNLSA-N 399.443 2.856 0 40 GFAB O=C1[C@H]2CN(c3ncc(C(F)(F)F)cc3F)C[C@@H]2C(=O)N1c1ccccc1 1888870038 ASUDHMHOMBLABP-STQMWFEESA-N 379.313 2.865 0 40 GFAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4onc5c4CCCC5)C[C@H]3C2)nn1 1888875948 QIFKIUUTFILUAX-HUUCEWRRSA-N 395.507 2.849 0 40 GFAB COc1cccc(NC(=O)[C@H](NCCC(=O)N2CCCC2)c2ccccc2)c1 21793501 DNRADYVELUNXOG-OAQYLSRUSA-N 381.476 2.977 0 40 GFAB O=C(c1cncs1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840251 KLEJSMRQLVVCCN-LJQANCHMSA-N 389.452 2.711 0 40 GFAB CCc1noc(CCC(=O)N2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)n1 2037913033 MCPBAKPBQAKVBH-NRFANRHFSA-N 387.480 2.614 0 40 GFAB CN(C1CCN(c2ncc(C(F)(F)F)cc2F)CC1)S(=O)(=O)C1CC1 2086968229 JWWMLIALCKEUEA-UHFFFAOYSA-N 381.395 2.632 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)Nn1c(S)nc2ncccc2c1=O 2959824 LZPLILBDKVXATC-UHFFFAOYSA-N 397.243 2.536 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCCCC3)nnc12 3375794 VUNLINAULPRWAO-UHFFFAOYSA-N 399.520 2.995 0 40 GFAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 9037067 OGWRQFZOMIHTJT-AWEZNQCLSA-N 378.881 2.980 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 9036556 AFFCCXGLMIMUOG-OAHLLOKOSA-N 376.453 2.774 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cc3ccccc3)n2)cc1 9844261 ICXNSPZIQQXASR-UHFFFAOYSA-N 377.444 2.668 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1 16971754 QZTNUGNULAUQNJ-UHFFFAOYSA-N 388.489 2.672 0 40 GFAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cc4cccc(Cl)c4)c(=O)c3c2=O)n1 18063669 YMLUCFALOHMVAZ-UHFFFAOYSA-N 395.850 2.967 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCCn3cc(-c4ccco4)cn3)CC2=O)cc1C 575615099 MHBSBNAYUHJXMK-QGZVFWFLSA-N 392.459 2.929 0 40 GFAB COC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 5255256 WAUQTTPTRYOVAN-UHFFFAOYSA-N 393.852 2.877 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)C1CCN(c2cnnc(O)c2Cl)CC1 40037401 GYZPTTGMOXEFIG-UHFFFAOYSA-N 375.812 2.706 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc3ccc(C)cc3c2=O)c1 40116996 RISGLHZUJCORHN-CQSZACIVSA-N 381.432 2.600 0 40 GFAB COc1cccc2c1N(Cc1nnc3n(C)c(=O)c4ccccc4n13)CCC2 31581554 JXMGDFHDQNEQPL-UHFFFAOYSA-N 375.432 2.543 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)c1 51316847 KQYVWUGZIAQCEQ-UHFFFAOYSA-N 379.445 2.875 0 40 GFAB CN(Cc1ccccc1)C(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 32070018 INCSGMVDOAPGAX-UHFFFAOYSA-N 379.460 2.909 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 32957545 YQVSPWXQZCENRJ-QZTJIDSGSA-N 396.487 2.794 0 40 GFAB COc1cccc(C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1O 21827979 MKIYFBLFAXZWQI-UHFFFAOYSA-N 380.400 2.624 0 40 GFAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)CCn1c(C)csc1=O 52853728 ICKMHLDJEJKPIR-HNNXBMFYSA-N 376.478 2.687 0 40 GFAB O=C(Nc1ccc(-n2cccn2)nc1)C1(S(=O)(=O)c2ccccc2)CCCC1 22989787 SYFKTEYBGYOOFK-UHFFFAOYSA-N 396.472 2.993 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c(F)c1 22915851 KLRVAJZYEONVSS-UHFFFAOYSA-N 383.467 2.825 0 40 GFAB Cc1noc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)n1 54665378 XTDXMFQTNXCULI-AWEZNQCLSA-N 388.855 2.791 0 40 GFAB CC(=O)O[C@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4029796 BNYMWYFDNNGEAG-RZFLPCETSA-N 382.453 2.795 0 40 GFAB C[C@@H](NC(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1 12594907 DYCOQUKATNLUHS-SJLPKXTDSA-N 381.476 2.885 0 40 GFAB Cc1ccc(NC(=O)NC2CCN(CC(=O)NCc3cccs3)CC2)cc1 4909786 ASMWACBDBWBZGR-UHFFFAOYSA-N 386.521 2.959 0 40 GFAB COc1ccc(-c2n[nH]c(SCC(=O)N3CC(=O)Nc4ccccc43)n2)cc1 6141501 XZTCQFKNWILHFR-UHFFFAOYSA-N 395.444 2.558 0 40 GFAB CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7904617 RDGYPRHEJOPJCM-UHFFFAOYSA-N 385.493 2.923 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 8476126 XMMUEZRJNGPLLV-HNNXBMFYSA-N 388.489 2.971 0 40 GFAB COc1cc(CNCC2(N3CCOCC3)CCCCC2)cc2c1OCCO2 25355696 BNQMHNSTVKTYNO-UHFFFAOYSA-N 376.497 2.591 0 40 GFAB COC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCC2 3266663 ASZJHUUNQUDGGW-UHFFFAOYSA-N 383.429 2.984 0 40 GFAB CC(C)C[C@H](CNC(=O)Nc1ccccc1Cn1cccn1)N1CCOCC1 44269244 CZEWMAARILKCOR-LJQANCHMSA-N 385.512 2.800 0 40 GFAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 12626181 DRANNEAZGIVNFN-SFHVURJKSA-N 392.434 2.740 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccs1 48235712 ZJSFEQZQSVCZET-MRXNPFEDSA-N 386.473 2.838 0 40 GFAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccc(Cl)nc1Cl 58086472 POXWPVPHJIYTOL-UHFFFAOYSA-N 398.275 2.507 0 40 GFAB Cn1cc(-c2nc(C(=O)N3CCN(CCc4ccccc4)CC3)cs2)cn1 44919437 PDIYBDBUDKUOPZ-UHFFFAOYSA-N 381.505 2.544 0 40 GFAB CCCC[C@@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2121330 FTGIVXSPVFBEPW-OAHLLOKOSA-N 387.432 2.729 0 40 GFAB biogenic CN1CCN(C(=O)c2cc(Cl)c(I)c(Cl)c2)CC1 59842960 HBGKDLOOLZUOIZ-UHFFFAOYSA-N 399.059 2.986 0 40 GFAB C[C@H](NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1)c1ccccc1 11094109 WZAGZRMOIZTTMY-LPHOPBHVSA-N 399.535 2.749 0 40 GFAB COc1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1C 11451853 ZFHBLHKLSMVXNK-UHFFFAOYSA-N 394.518 2.648 0 40 GFAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccn1 29195892 SEYSXUBSFZDOPP-QGZVFWFLSA-N 375.428 2.913 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 45833997 MJDIHDOBNQTJOK-XOBRGWDASA-N 398.434 2.775 0 40 GFAB Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(C)c1C 2627597 NLMHNIJXAUPAHI-UHFFFAOYSA-N 397.504 2.930 0 40 GFAB O=Cc1cn(C[C@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc12 22859199 UDKRUFQBTQTKKX-OAQYLSRUSA-N 377.488 2.633 0 40 GFAB CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)N2CCOCC2)=C1C 12979860 HDEXXHZHKNWHKK-MRXNPFEDSA-N 397.397 2.924 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCCO1 12946679 HMJUYECIJXQACL-INIZCTEOSA-N 392.452 2.844 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NC(C)C 13097794 WNKUTYBJBDSTCO-SOFGYWHQSA-N 380.510 2.654 0 40 GFAB C[C@H]1Sc2ccc(C(=O)OCc3nc4ccsc4c(=O)[nH]3)cc2NC1=O 9154310 JWSAJUGQIQBIES-MRVPVSSYSA-N 387.442 2.774 0 40 GFAB COc1cc(CN(CC(=O)NC(=O)NC(C)(C)C)C2CC2)ccc1OC(F)F 9112948 VJDYPYAQDHWTRK-UHFFFAOYSA-N 399.438 2.885 0 40 GFAB COc1ccc(CN2C(=O)[C@H](CCC(=O)N(C)C3CCCCC3)N=C2O)cc1 13681535 RQBMEZCBMALFAU-SFHVURJKSA-N 387.480 2.891 0 40 GFAB COc1ccccc1CNC(=O)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C 13689842 OCJFHMAEHNSART-UHFFFAOYSA-N 392.459 2.812 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2C=CC=NN12 5092510 VKFSIDCGJKBWPB-MKXGPGLRSA-N 395.434 2.551 0 40 GFAB COc1cc2c(cc1CNC(=O)Cn1cc(C=O)c3ccccc31)OCCCO2 64986995 DWUAURWGYFXCPN-UHFFFAOYSA-N 394.427 2.940 0 40 GFAB O=S(=O)(c1ccc(CNCc2cccc(Cl)c2)cc1)N1CCOCC1 39979621 JGIDXZSDNWSPER-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB CN(C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 14199369 UNMCBXKHOZMBFD-LFAOLKIESA-N 380.466 2.608 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C 4550148 ZBBFEEGWMPCPSF-TYNCELHUSA-N 378.469 2.906 0 40 GFAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cn2ccc(C)cc2n1 14376028 TYHSLIPAUHQBLL-UHFFFAOYSA-N 381.461 2.993 0 40 GFAB Cc1c(O[C@@H](C)C(=O)NCCCn2ccnc2)ccc2c3c(c(=O)oc12)CCC3 6658917 QIYASSLETXCKGC-HNNXBMFYSA-N 395.459 2.760 0 40 GFAB COc1ccc(CSc2nnc(Nc3ccccc3C)c(=O)n2N)cc1OC 28535901 ABEOARSSHLMGEA-UHFFFAOYSA-N 399.476 2.714 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(=S)[nH]c2ccccc2c1=O 5693409 VWGVJCBGYWJYSM-UHFFFAOYSA-N 375.475 2.607 0 40 GFAB Cc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1S(=O)(=O)N1CCCCC1 4870944 GYYCMISNLWRMKF-UHFFFAOYSA-N 390.461 2.537 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c(C)c1 67320298 DZNRKDHBVCTORC-UHFFFAOYSA-N 381.407 2.702 0 40 GFAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 9418473 MPFJWUOFCHWNER-QZTJIDSGSA-N 388.514 2.970 0 40 GFAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NCCc3ccccc3)cnc12 7256010 GLHLAJCEEGGACG-UHFFFAOYSA-N 392.484 2.982 0 40 GFAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)NCc1cc(C)c(O)c(C)c1 7814833 YVZPWNMYWMFVLL-MHZLTWQESA-N 389.473 2.610 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCSc1ccccc1)C2=O 7827453 UWZLOUJRIQZOJG-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 7986070 JBCIHWMMLFETPZ-AWEZNQCLSA-N 387.461 2.929 0 40 GFAB O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9547877 HDLQLUCFAZYYLL-LLVKDONJSA-N 385.898 2.836 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nnc(C(C)C)s2)c1 8117153 NXUMQJGWBOZFCZ-UHFFFAOYSA-N 382.511 2.944 0 40 GFAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 17167200 KXPUHRWHAODRNP-CXUHLZMHSA-N 386.404 2.926 0 40 GFAB CC[C@H](C)N(C(=O)CSc1ncnc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8429495 YJMYSZNOYLVTBR-UONOGXRCSA-N 393.534 2.536 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 9690725 VHTLUEYSLXTFMX-MRXNPFEDSA-N 377.466 2.700 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)[C@@H]1CCCCN1Cc1cccnc1 97164517 ZRGDJAQEOFWQJU-IBGZPJMESA-N 397.475 2.935 0 40 GFAB COc1cccc(N2CCN(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 30964144 GEVAIWPLWZIUJT-UHFFFAOYSA-N 397.475 2.617 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 72339091 QLHHWEITWDYDSE-MOOKXKAQSA-N 391.471 2.695 0 40 GFAB Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)c2cnn(-c3ccccc3F)c2n1 36616818 OJTCFNLXGGSEHB-HNNXBMFYSA-N 379.439 2.788 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2OC(F)(F)F)cc1 43878821 LGJNECRMZULQKA-UHFFFAOYSA-N 389.355 2.554 0 40 GFAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223122590 NCNYQZDLLPBWTP-LJQANCHMSA-N 388.895 2.798 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222994245 JDVGGDRYAODEKF-OALUTQOASA-N 379.489 2.886 0 40 GFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220143865 XIZNSZHJMSINTR-INIZCTEOSA-N 390.505 2.865 0 40 GFAB CCCCOc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224309084 HNKSAAOIVXSKCC-UHFFFAOYSA-N 383.496 2.684 0 40 GFAB C[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)CCCC2 49581026 VHUSWSDXNQIUDH-HNNXBMFYSA-N 390.487 2.611 0 40 GFAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 223922834 IAJRTKKIDLYRCY-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccccc1F 41089831 SVYDBRPLRDKZAS-UHFFFAOYSA-N 380.404 2.887 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223604466 FVZCZYOHDGJNDY-RBUKOAKNSA-N 379.489 2.622 0 40 GFAB Fc1ccc(CN2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)cc1 96254136 RKLWWNWIWDEMHW-UHFFFAOYSA-N 383.471 2.585 0 40 GFAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cccc(Br)c2)o1 95479666 JFUQAHCHEHFXMU-CYBMUJFWSA-N 397.221 2.949 0 40 GFAB O=C(c1ccccn1)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 96038282 OCNCOEZZPSXXPY-UHFFFAOYSA-N 376.464 2.744 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(Cc1ccoc1)C2 96056035 AOHGXHAWFVSNQE-UNMCSNQZSA-N 383.492 2.952 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1 248106219 FZSFXAWJVYORPU-VKJFTORMSA-N 380.496 2.797 0 40 GFAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 245263602 AYSZCDSNTXBHKG-QFSBIZTOSA-N 389.418 2.677 0 40 GFAB C[C@H]1CN(c2nc(O)c3c(n2)CN(C[C@H](C)c2ccccc2)CC3)C[C@@H](C)O1 257224045 FABMBFBEXQWRLX-YESZJQIVSA-N 382.508 2.958 0 40 GFAB Cn1cc(C(=O)N2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 257275079 NNUVCZFHRNEQBB-WFXMLNOXSA-N 384.455 2.964 0 40 GFAB COc1ccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC 254826796 MKNCECXWKFKXAE-UHFFFAOYSA-N 379.441 2.691 0 40 GFAB CNC(=O)[C@H]1CN(C(C)C)CCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257208328 BLSDKNJELNRRRG-OAQYLSRUSA-N 395.503 2.692 0 40 GFAB COc1cc(-c2cc(-c3cc(OC)c(O)c(OC)c3)nn2CCO)ccc1O 257296481 RDBFFXWKXSMKMU-UHFFFAOYSA-N 386.404 2.646 0 40 GFAB Cc1noc([C@H]2CN(C(=O)N[C@H](C)[C@H]3Oc4ccccc4[C@@H]3C)C[C@@H](C)O2)n1 606444986 XIIWGVYJVNZGPX-YXCOWNBQSA-N 386.452 2.803 0 40 GFAB CC(=O)N1N=C(S(C)(=O)=O)[C@@H](c2ccccc2)n2ncc(-c3ccccc3)c21 618256645 KVTIKYCJFAFGHR-GOSISDBHSA-N 394.456 2.864 0 40 GFAB Cc1ccc(F)c(C(=O)N2CCC(n3nnc(C(=O)O)c3C(F)F)CC2)c1 630321146 ICTAAPBLOBZRPO-UHFFFAOYSA-N 382.342 2.839 0 40 GFAB CCn1ccnc1CN1CCN(C(=O)Nc2ccc3c(OC)nccc3c2)CC1 653580144 YQFKKSHTLXFDDO-UHFFFAOYSA-N 394.479 2.810 0 40 GFAB COC(=O)[C@H](Cc1cc(-c2ccccc2Cl)on1)CN1CCN(C)CC1 96316087 BJVQSBIYDWRSHH-CQSZACIVSA-N 377.872 2.574 0 40 GFAB COc1cccc(CC(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)c1 1775973851 ZWESLLJIXVAYOT-UHFFFAOYSA-N 375.428 2.545 0 40 GFAB COc1ccc(C2=NN(CC(=O)N(C)C)C(=O)c3cc4sccc4n3C2)cc1 12113603 RRJUJHBXWJLBPI-UHFFFAOYSA-N 396.472 2.660 0 40 GFAB Cc1sc2nc(C)n(C3CCN(C(=O)[C@@H]4CCCO4)CC3)c(=O)c2c1C 12145422 BRFIVGUUIZZPDF-HNNXBMFYSA-N 375.494 2.726 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)cc1 12292013 IXBUQMWQQQPPLU-INIZCTEOSA-N 392.415 2.938 0 40 GFAB CCN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 12419343 NCWJLKKHKNXDQA-UHFFFAOYSA-N 387.461 2.909 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1 12613509 IEOLWJLHMXCFMF-INIZCTEOSA-N 389.521 2.630 0 40 GFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580853 NTCGUXNQEMBOHF-UONOGXRCSA-N 386.489 2.540 0 40 GFAB COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 13632654 OVEVTPZZWITIIS-UHFFFAOYSA-N 396.852 2.531 0 40 GFAB O=c1oc(-c2cccs2)nn1CC1(O)CCN(C[C@@H]2CC=CCC2)CC1 19344754 TXIKIZCNRBYIDR-OAHLLOKOSA-N 375.494 2.748 0 40 GFAB CCN1CCN([C@@H](c2ccccc2F)c2nnnn2CCc2ccccc2)CC1 19528084 OINVIKLRPJPNGQ-NRFANRHFSA-N 394.498 2.782 0 40 GFAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2sc(C)nc2C)C1 19560010 GFYNKRLRQCIEQY-HXUWFJFHSA-N 385.489 2.729 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)C1 2456965 DMTOVZGFTXTIIC-GFCCVEGCSA-N 390.465 2.620 0 40 GFAB COCCC(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 12222398 CRFDJPUTRXJXHC-UHFFFAOYSA-N 391.475 2.924 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCC1=CCCCC1 13011887 RLEQRWHWNLSSEW-SFHVURJKSA-N 389.521 2.756 0 40 GFAB O=C(NCc1ccc(F)cc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888882125 DMFKAMILCDXJDE-CALCHBBNSA-N 381.455 2.771 0 40 GFAB O=C1CCCN2N=C(SCC(=O)Nc3nc4ccccc4s3)SC2=N1 3009776 RAENIUUXGUSKDC-UHFFFAOYSA-N 391.503 2.964 0 40 GFAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCC(O)CC3)c(O)n2n1 22855211 WOAINXKTUXJFHC-INIZCTEOSA-N 388.493 2.614 0 40 GFAB Cc1nc(CN(C)C2CN(c3ccc4nnc(-c5cccc(F)c5)n4n3)C2)co1 1775970529 FCBVMLVZFBECLO-UHFFFAOYSA-N 393.426 2.547 0 40 GFAB COCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1c(F)cccc1F 101113722 DNMGWDCXVXELBO-JJIBRWJFSA-N 388.374 2.777 0 40 GFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccc(C)c(C)c4)[C@@H]3C2=O)c1 101260825 PSHHJFGMIIAYME-ROUUACIJSA-N 380.404 2.818 0 40 GFAB Cc1ccccc1CN1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1 31766610 DYHOKIAVPKEOBU-UHFFFAOYSA-N 380.492 2.511 0 40 GFAB COc1ccc(-c2noc(CN[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1 32797393 XCYJQTORPXJUDB-CYBMUJFWSA-N 387.461 3.000 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c1 41824613 QYCLUJJPWSZKLI-UHOFOFEASA-N 398.488 2.981 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)c(C)c1 22659783 YCHISJMZUHMGIT-IBGZPJMESA-N 384.501 2.742 0 40 GFAB C[C@H]1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 42147016 JUWKRLZFRSLSMK-FUHWJXTLSA-N 390.549 2.959 0 40 GFAB CN1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 22795573 UFGJSCZQYMRTOI-SFHVURJKSA-N 386.883 2.858 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2=O 23005917 XTDSZVZDJCNNJO-UHFFFAOYSA-N 381.476 2.666 0 40 GFAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)c1 940604 REVVWLHCHJOEIC-SFHVURJKSA-N 392.419 2.618 0 40 GFAB CN1CCN(c2ccc(CNC(=O)COc3ccc4ccccc4c3)cn2)CC1 23318315 SGQDZCCNRKNVOA-UHFFFAOYSA-N 390.487 2.682 0 40 GFAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccc(OC)cc1 1222243 LOZDVHWFZBZNBM-UHFFFAOYSA-N 390.494 2.864 0 40 GFAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 1379581 DSOBUBNQGZZXEE-MRXNPFEDSA-N 397.431 2.737 0 40 GFAB COc1ccc(N2C(=O)C[C@H]([C@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 1030821 ZTDRUGXKFWVOHZ-MJGOQNOKSA-N 377.400 2.614 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4145900 MBDWPUWOQANSFQ-QFBVAWSSSA-N 376.840 2.708 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)c(F)c1 6377749 RYLQTUZBXBQBLH-UHFFFAOYSA-N 396.415 2.546 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C)n1C1CC1 7533648 DFMZLRJWERJPHV-HNNXBMFYSA-N 388.493 2.702 0 40 GFAB COc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1F 12552680 MULOPPHOWDCLBK-KKNAONHISA-N 392.452 2.715 0 40 GFAB COc1ccc(N2C(=O)C[C@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 100789183 JKSTXQLJJQWIAC-FQEVSTJZSA-N 375.428 2.867 0 40 GFAB biogenic C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 8433785 QTCKFWVSHDRZQC-ZBFHGGJFSA-N 384.407 2.599 0 40 GFAB CC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 8479804 MGWLRQHXBLQYND-UHFFFAOYSA-N 382.388 2.572 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cc3ccccc3o2)cc1 3246187 SDVHYXQVTDCJOX-UHFFFAOYSA-N 387.413 2.723 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 28416435 AGJIMVVTBDJADZ-OAHLLOKOSA-N 395.459 2.827 0 40 GFAB CCN(C(=O)COC(=O)c1cn(CC)c2nc(C)ccc2c1=O)c1ccccc1 3238115 QLXQBZUAPALIOK-UHFFFAOYSA-N 393.443 2.935 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 58222743 BVXYHKMUNXJEQM-QGZVFWFLSA-N 378.480 2.795 0 40 GFAB Cc1cc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2ccccc12 12634200 OWGUBSGTANPECA-UHFFFAOYSA-N 398.488 2.921 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cc1 58326942 TUXBVWSTUIYYKU-GOSISDBHSA-N 391.493 2.571 0 40 GFAB CCCn1c(=O)n(CCC(=O)NCc2ccccc2CN(C)C)c2ccccc21 58372172 HZWVCHGDSYWTSL-UHFFFAOYSA-N 394.519 2.981 0 40 GFAB C[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1nnc2n1CCCCC2 58342687 UNOHHBLTGKOLDA-CYBMUJFWSA-N 384.440 2.844 0 40 GFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 22226996 ALUVFPYHGFJFMD-UHFFFAOYSA-N 390.480 2.973 0 40 GFAB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1 12789294 OJQFWMMYNKWIMS-ZDUSSCGKSA-N 382.507 2.867 0 40 GFAB COc1ccc(CCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 22326813 KDLSKJFOBLORGV-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COc1cccc([C@@H](NC(=O)c2cccc(NC(C)=O)c2)c2nccn2C)c1 29093264 KPGFFVWZVXGODA-LJQANCHMSA-N 378.432 2.907 0 40 GFAB NC(=O)c1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 29143125 JBBHZSFITXVDSX-UHFFFAOYSA-N 378.407 2.529 0 40 GFAB Cc1ccc(NC(=O)COc2ccc([C@H]3CC(=O)Nc4ncnn43)cc2)cc1 105936063 DWSURVHEMAETHI-QGZVFWFLSA-N 377.404 2.536 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)c1 2636703 WZXFFOQTNFPNAM-UHFFFAOYSA-N 388.518 2.819 0 40 GFAB CCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1ccccc1C(F)(F)F 2650397 YVJQRYUJEGFLQA-UHFFFAOYSA-N 384.358 2.901 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1nn(C)c(=O)c3ccccc13)O[C@@H](C)C2 12819002 VSEONWOINXODKP-LBPRGKRZSA-N 379.416 2.908 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2ccc(OC)cc2)s1 3521769 AYDPVYUFEJYARA-VIFPVBQESA-N 381.483 2.617 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1ccccc1 12986965 VTIZXVMCKFOQED-LJQANCHMSA-N 376.460 2.574 0 40 GFAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(F)cc2)c1C 71327184 YYSKCOSYDRGHRC-UHFFFAOYSA-N 383.383 2.625 0 40 GFAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NCc1ccc(C)cc1 64837203 NFGQKDNKYLGJAW-UHFFFAOYSA-N 383.473 2.786 0 40 GFAB COC(=O)CCCNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 39547548 OXPSNABOFYTEGI-UHFFFAOYSA-N 388.424 2.818 0 40 GFAB Cc1sc2ncn(CC(=O)OCC(=O)c3ccc(F)c(F)c3)c(=O)c2c1C 6165663 YRYMTVLSAZCXIX-UHFFFAOYSA-N 392.383 2.779 0 40 GFAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 5261501 ZMWUSVCOWGFJNU-CYBMUJFWSA-N 380.400 2.769 0 40 GFAB COCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)oc2ccccc12 5200048 FRVZDNLJYYAFDN-LBPRGKRZSA-N 396.399 2.862 0 40 GFAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 5274892 YSIYEGBFBISZGA-DVBCCOPCSA-N 376.460 2.522 0 40 GFAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20044862 AGCOYFDVOVIPMC-BEFAXECRSA-N 388.489 2.708 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1 9239017 ZCWNEWOYAGSMCD-IAGOWNOFSA-N 399.476 2.654 0 40 GFAB O=C(OCC(=O)c1ccc[nH]1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 6508626 WBAGZNQTSLVNAR-UHFFFAOYSA-N 392.342 2.994 0 40 GFAB CCOc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O 4704799 IYAYSISIDYURBK-LFIBNONCSA-N 395.415 2.631 0 40 GFAB CC(C)[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NC(N)=O 4843564 IQNFCWQPOUPOHN-CQSZACIVSA-N 385.449 2.839 0 40 GFAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2O1 7275005 QDVQPGAQSWSGSS-NRFANRHFSA-N 393.487 2.908 0 40 GFAB COc1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 113967415 QJNZVYKIHSYDKY-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CCNC(=O)COc1ccc(CN[C@@H]2CCOc3ccc(F)cc32)cc1OC 68985108 UUIBOVCOLDRGAO-QGZVFWFLSA-N 388.439 2.963 0 40 GFAB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nccs1 16641170 AUKJPVJLIJDYBL-CEFACKQISA-N 397.547 2.794 0 40 GFAB Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)cc1 9594332 MMUQBBMGIWJQEY-UHFFFAOYSA-N 395.463 2.601 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)NC2CCCCC2)C1=O 8315487 LVNKVXRJHUVKSD-LHSJRXKWSA-N 387.480 2.690 0 40 GFAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 8916246 FGIZDNKAKJHGFG-UHFFFAOYSA-N 389.890 2.541 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2c(F)cccc2F)co1 95965070 LOXOYGRPKDMFLX-UHFFFAOYSA-N 382.326 2.968 0 40 GFAB Cc1noc(C)c1CN1CCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)CC1 555811388 ZIODJJCHIJJOKU-UHFFFAOYSA-N 379.464 2.563 0 40 GFAB COCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408998679 BSMRLNKASBOCDQ-IBGZPJMESA-N 390.505 2.557 0 40 GFAB Cc1cccc(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 30064100 KWZXZOOOSWWLAX-OAHLLOKOSA-N 388.489 2.602 0 40 GFAB CCSc1nc2n(n1)[C@@H](c1cnn(C)c1)[C@H](C(=O)Nc1ccccc1)[C@H](C)N2 36621371 CUODOWOBTTYGSB-MAZHCROVSA-N 397.508 2.782 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(CO)C(=O)O)cc1 218434303 BZGABXHDEYOCMW-XYJFISCASA-N 380.849 2.651 0 40 GFAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(Cl)s1 70933289 WNNBVJCWUHBTNT-UHFFFAOYSA-N 399.925 2.627 0 40 GFAB CCOc1ncc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)c(OCC)n1 72337551 PWTQHPJAWAMRTN-UHFFFAOYSA-N 389.427 2.537 0 40 GFAB Cn1ncc2c(C(=O)N3CCN(C(=O)c4cccs4)CC3)cc(C3CC3)nc21 36616083 PKTVRLBEIJYPJR-UHFFFAOYSA-N 395.488 2.505 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 72390767 RUBDUIZSCNFHGY-UZLBHIALSA-N 380.492 2.952 0 40 GFAB CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)C1 72374016 ZITRCMCNFHMGGP-SFHVURJKSA-N 378.480 2.501 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 223709689 CFAQUXBHFMPBNR-UHFFFAOYSA-N 395.477 2.978 0 40 GFAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225157701 BHSXTNRLMIKYRK-CQSZACIVSA-N 392.477 2.887 0 40 GFAB COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224633328 IKWHQHKFZWFGGM-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB Cc1cccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c1 223617712 UKOGSVFRQZHLCW-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB O=C(Nc1cc(-c2cccnc2)n[nH]1)c1ccc(Cl)c(N2CCNC2=O)c1 132957309 HPSXCZBGQKQLRB-UHFFFAOYSA-N 382.811 2.907 0 40 GFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 224902707 NHHPIORMJYSWSX-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1 224955056 BSHVKRJLNAVQJU-AWEZNQCLSA-N 376.478 2.972 0 40 GFAB CCN(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 226070303 ABEJZUIWEFWYED-UHFFFAOYSA-N 390.505 2.639 0 40 GFAB CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(Cl)cc1 96520817 QIJJFSBITJWHTH-MRVPVSSYSA-N 392.496 2.862 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 96220894 UPLVZOKPZTVHHS-LPHOPBHVSA-N 379.460 2.635 0 40 GFAB biogenic Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)cc1 96077306 MNIXQINNCSYPLY-NRFANRHFSA-N 383.517 2.549 0 40 GFAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(c2ccccc2)CC1 95478249 GWMSIYNHFRVBTM-IBGZPJMESA-N 399.564 2.976 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)NC1CCCCC1)C2 96238219 XSVXGZAMBWLHEI-LJQANCHMSA-N 376.526 2.513 0 40 GFAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)C(F)(F)C2(O)CCCC2)C1 585080903 MSBVUVRFFQKDAB-KRWDZBQOSA-N 381.467 2.692 0 40 GFAB Cc1ncccc1CNC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 528981997 IMYZFLUFAKZXGQ-UHFFFAOYSA-N 376.844 2.832 0 40 GFAB O=C(NCC(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1)c1ccccc1 257221452 DPCGPKOPDBZQIZ-DBVUQKKJSA-N 382.435 2.872 0 40 GFAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN(C)C 257322949 WIFDVULWCZPEER-CFKFVRPNSA-N 397.563 2.940 0 40 GFAB Cc1csc(-c2ccc(CC3CCN(S(=O)(=O)N(C)C)CC3)cn2)n1 257320490 VXBGYNFZXDEHST-UHFFFAOYSA-N 380.539 2.574 0 40 GFAB CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(COC3CCCC3)cc2)C1 269826021 BJJRLWKWKYNRNU-MRXNPFEDSA-N 395.525 2.549 0 40 GFAB O=C(CC1CCCC1)NC1CCC(C(=O)Nc2ccnc(OCCO)c2)CC1 620638971 UZGHMYNGIBGZSQ-UHFFFAOYSA-N 389.496 2.647 0 40 GFAB CO[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](c2nc(C)no2)C1)c1ccc(Cl)cc1 623666378 AQHZAKHMPKMFMK-HFBAOOFYSA-N 394.859 2.891 0 40 GFAB Cc1ccc(NC(=O)c2cnc(O)c3ccccc23)cc1C(=O)N1CCOCC1 683882689 XLPHEHFDDJZIQQ-UHFFFAOYSA-N 391.427 2.974 0 40 GFAB O=S(=O)(Nc1cnn(-c2ccccn2)c1)c1cccc(OC(F)(F)F)c1 606827967 VUNLFSWDFWCECD-UHFFFAOYSA-N 384.339 2.967 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 585090819 ONVGQLWHJIOYIP-YPMHNXCESA-N 380.388 2.712 0 40 GFAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@@]34CCC[C@H]3C4)CC2)cc1 585098133 LZVJTIAHFBVMBC-MGPUTAFESA-N 391.537 2.691 0 40 GFAB C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)N(C)CC2=CCCOC2)C1=O 585099553 VUWUPPWOWOZUTM-KXBFYZLASA-N 389.471 2.866 0 40 GFAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCSC[C@H]1CN1CCOCC1 90609068 LGDFFPZEPCPTJZ-MRXNPFEDSA-N 388.455 2.985 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(S(=O)(=O)c2ccccc2)cc1 5055088 NQTONIPXSJDBHR-SLDRDFCHSA-N 379.437 2.831 0 40 GFAB CCN(CC)CCCNc1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl 5452417 QPENTBXCEDIAHQ-UHFFFAOYSA-N 388.903 2.916 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)N(C)C2)cc1 12530101 JZZZETZWWLWRPH-WMZOPIPTSA-N 398.488 2.769 0 40 GFAB biogenic,in-vitro COc1ccc(C)cc1NC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 16974293 UEAUTRNZWYWJDF-UHFFFAOYSA-N 382.460 2.807 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)CCc3cccnc3)CC1)O2 19219183 KRJRMNSLULVICZ-UHFFFAOYSA-N 393.487 2.943 0 40 GFAB Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19291310 FUVNVFPQHWAMLC-PMXSJFBMSA-N 376.504 2.866 0 40 GFAB O=C(Nc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccn(C(F)F)n1 19335556 ZOIDJWNTRBYCBK-UHFFFAOYSA-N 378.379 2.922 0 40 GFAB O=C(c1ccn(C(F)F)n1)N1[C@H]2CC[C@@H]1CC(O)(c1ccc3c(c1)OCO3)C2 19345609 JEWOWJUDTOCDRT-ZHZUQJFRSA-N 391.374 2.662 0 40 GFAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)Cc1ccc(F)cc1 19697178 GAEWJHVLHRAVRN-UHFFFAOYSA-N 392.434 2.544 0 40 GFAB Cc1ncsc1C(=O)N1CCC(Cc2c(CN(C)C)cnc3ccnn23)CC1 19704751 WYBGBQTYWHIHII-UHFFFAOYSA-N 398.536 2.651 0 40 GFAB COc1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCN3)n2)cc1 19760349 GNAWNPJTYFOARU-LJQANCHMSA-N 397.523 2.567 0 40 GFAB CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 575625735 DAXYUDFNWXHGBE-FHKMQTCFSA-N 384.476 2.700 0 40 GFAB biogenic O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(N2CCCCC2)cc1 6534591 YUFSIFYQKOGFPS-UHFFFAOYSA-N 378.436 2.670 0 40 GFAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)CCc2cnn(C)c2)C3)cc1 2056224065 BVEKUOBEEBXZMJ-KRWDZBQOSA-N 386.521 2.560 0 40 GFAB Cc1cnc(C)c(OC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 2087143988 DDWZPXJIAOOUEI-UHFFFAOYSA-N 393.373 2.598 0 40 GFAB CC(=O)N1CC[C@@]2(CN(Cc3ccsc3)CCN(C(=O)C3(F)CCC3)C2)C1 1565555637 MFTXKIJXPVHXGT-LJQANCHMSA-N 393.528 2.523 0 40 GFAB COCCn1c(=S)[nH]c2cc(C(=O)NCc3cccs3)ccc2c1=O 3043549 KINDXIQXJUBOMQ-UHFFFAOYSA-N 375.475 2.697 0 40 GFAB O=c1c2cccnc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(F)cc1 5055079 AHTSBUIKJQVXLT-UHFFFAOYSA-N 379.366 2.933 0 40 GFAB Cc1ccc(N2C[C@@H](CNC(=O)c3cc4ccccc4oc3=O)OC2=O)cc1 9069491 DPXDZCGMGQJTSH-MRXNPFEDSA-N 378.384 2.857 0 40 GFAB COc1cccc(CNC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)c1 9661373 MVUPWZTXNLLTCS-UHFFFAOYSA-N 388.427 2.614 0 40 GFAB CCC(=O)N1CCCc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21 17248038 PZBUNLGUUOSDGJ-UHFFFAOYSA-N 391.427 2.611 0 40 GFAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22579433 TUNBJGQOLUCQRT-NRFANRHFSA-N 385.483 2.943 0 40 GFAB COc1ccc(C)c2s/c(=N/C(=O)c3ccccc3S(C)(=O)=O)n(C)c12 101041752 KMHGYNWBMNWIMM-VHEBQXMUSA-N 390.486 2.701 0 40 GFAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)ccc1O 4276387 SRLPXKIYXYLLLC-QGZVFWFLSA-N 387.436 2.971 0 40 GFAB CC1(C)Cc2cccc(OCCNC(=O)[C@H]3Cc4ccccc4C(=O)O3)c2O1 40074736 VMJZUADPCHPPQN-GOSISDBHSA-N 381.428 2.677 0 40 GFAB Cc1ccccc1OCC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 40135140 OMOKEWIYMVOEIS-UHFFFAOYSA-N 381.476 2.770 0 40 GFAB Cc1c(NC(=O)c2cc(-c3cccnc3)on2)c(=O)n(-c2ccccc2)n1C 40127997 BCSXBMPLAJVBQN-UHFFFAOYSA-N 375.388 2.787 0 40 GFAB CC(C)c1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)n[nH]1 52566753 YPOZVBBSPPQEEN-GOSISDBHSA-N 376.888 2.990 0 40 GFAB CC(=O)Nc1ccc(F)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 52957842 ZJOIZXOPLYEBOA-UHFFFAOYSA-N 377.460 2.549 0 40 GFAB CC(C)c1ccc(CN2CCN(CC(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 22912810 SRCNBZUUNHDMHX-UHFFFAOYSA-N 392.503 2.980 0 40 GFAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1C 932412 VJOXAQPOKKHEJX-UHFFFAOYSA-N 383.433 2.739 0 40 GFAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 1364044 SCNUUMSCIJTCMI-STQMWFEESA-N 388.917 2.664 0 40 GFAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 23637430 HKMRBICUHXUSPY-UONOGXRCSA-N 380.400 2.550 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 2027974 KGHZDHXKCDQTOF-OAHLLOKOSA-N 381.812 2.893 0 40 GFAB CC1(C)[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccccn4)n[nH]3)cc2)[C@H]1C(=O)O 71285581 XXBJIQYOJZPTHS-CABCVRRESA-N 377.404 2.829 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 4912455 QJGRCOFFBHDQCD-UHFFFAOYSA-N 379.464 2.533 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1 6680998 XYONUEVNVWNZIB-UHFFFAOYSA-N 377.447 2.809 0 40 GFAB Cc1ccccc1OCCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 7219949 PLWGLOUJUYMBTL-UHFFFAOYSA-N 394.518 2.582 0 40 GFAB COc1cc2c(cc1OC)CN(CN1C(=O)N[C@]3(CCCC[C@H]3C)C1=O)CC2 34859826 ZXXVTBLHDWIJHN-SZNDQCEHSA-N 387.480 2.520 0 40 GFAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1 34847913 KAEFULNBVYFMFA-UHFFFAOYSA-N 381.432 2.719 0 40 GFAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692234 NPZUZLRLQKDGJQ-UHFFFAOYSA-N 379.309 2.623 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 25316070 YXRAVEAJFXDDQO-SFHVURJKSA-N 394.475 2.914 0 40 GFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C 3253604 LDYXQIIUFMIVLT-CYBMUJFWSA-N 385.445 2.730 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(O)cc2)cc1 8609898 GAJZMRKHCBPKAO-GOSISDBHSA-N 377.404 2.920 0 40 GFAB O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)N1CCC(n2ccnc2)CC1 108179053 VECUVATUDUFWTH-NEWSRXKRSA-N 380.496 2.674 0 40 GFAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 84240741 KCUDGYPPUJGTNY-IMJJTQAJSA-N 376.453 2.992 0 40 GFAB O=C(CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1 100433819 ZBEBKRXCLBJXTN-ROUUACIJSA-N 382.464 2.713 0 40 GFAB NC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1 58244441 YWZUYGXVTZWIDT-UHFFFAOYSA-N 392.440 2.925 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2ccccc2F)CC1 12757619 TUHXMEGPADXMNG-UHFFFAOYSA-N 398.482 2.854 0 40 GFAB Cc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 22327716 JVKPYMMJVIUFQV-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB C/C=C/c1cc(C(=O)NCc2ccc(-n3cncn3)nc2)cc(OC)c1OC 58366079 GLQKFXLIOHMIDD-SNAWJCMRSA-N 379.420 2.643 0 40 GFAB CC(C)c1nnc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)s1 58417500 LWZJOUQFIPCENA-OLZOCXBDSA-N 394.497 2.582 0 40 GFAB CCc1ccc(N2C(=O)C[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 102332041 WMPAGLFSHYGSPS-LJQANCHMSA-N 394.471 2.956 0 40 GFAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(N2CCOCC2)cc1 3357425 HYHLBJZNWPSMKT-AWEZNQCLSA-N 383.477 2.685 0 40 GFAB C[C@@H]1C(=O)[C@@]23[C@H]4C[C@@H]5C(C)(C)CC[C@@H](O)[C@@]5(C)[C@H]2[C@H](O)C[C@H]1[C@H]3OC(C)(C)O4 108480762 MDODVBXGWQIKBY-DUNFVZFASA-N 392.536 2.916 0 40 GFAB C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619193 FVPQZTNPMWNNJK-AWEZNQCLSA-N 382.443 2.535 0 40 GFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1 2403913 DAGNGKBDTPYIBE-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)no1 3333601 IFXGUGLDTZRMNV-CHWSQXEVSA-N 377.466 2.902 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cc(F)ccc1F 20022680 DWKHEKKDZQFDJG-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB COc1cc(NC(=O)CNC(=O)NCc2ccccc2)c(OC)cc1Cl 12873680 SDHOVBVFOFDBRL-UHFFFAOYSA-N 377.828 2.795 0 40 GFAB CCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 22274326 LZVHJWKSYJCBFW-UHFFFAOYSA-N 397.294 2.781 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)c1cc(-c2cccc(Cl)c2)on1 47122410 HBOQINVRGVNUSF-UHFFFAOYSA-N 380.795 2.901 0 40 GFAB O=C(CN1CCN([C@@H]2CC[C@@H]3SCCS[C@@H]32)CC1)Nc1ccc(F)cc1 97165329 FUPLTKWTKGAMQE-ZIFCJYIRSA-N 395.569 2.761 0 40 GFAB COC(=O)C1=C2CCOC3=C2[C@]2(C1)C(=O)[C@H]1C[C@@H]4N(C[C@@H]1C)C[C@H](CC3)[C@@]42C 13431836 TVYCEKHYHLUROK-KVWGVLNVSA-N 383.488 2.860 0 40 GFAB biogenic CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1C[C@H](C)O[C@H](C)C1 13534924 WLIUZWVUOPRDGB-XQQFMLRXSA-N 391.443 2.920 0 40 GFAB O=[S@]1c2ccc(Cl)cc2C[C@@H](N2CCN(CCO)CC2)c2ccccc21 22861401 HXFVEGJUJYYZBI-WXTAPIANSA-N 390.936 2.714 0 40 GFAB CCOCCCn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 5164510 FQVSXEHKLJBOBS-AWEZNQCLSA-N 398.463 2.929 0 40 GFAB O=S1(=O)CC[C@H](Cc2nnc(SCc3cc(-c4ccco4)on3)o2)C1 9365819 XLHXSRWWKJMGCI-SNVBAGLBSA-N 381.435 2.587 0 40 GFAB COc1cccc([C@@H]2C=C(c3ccccc3)Oc3c2c(=O)n(C)c(=O)n3C)c1 5482736 NGBBHHSOJVHWQR-KRWDZBQOSA-N 376.412 2.658 0 40 GFAB CC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 5423845 ZOSPMJLHZSXAQH-HXUWFJFHSA-N 375.428 2.835 0 40 GFAB CC(=O)c1c(F)cccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1 14309804 ONPOFHBYRGYFES-UHFFFAOYSA-N 376.453 2.976 0 40 GFAB Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)s1 4993593 YAXDKCINSAYIAR-MRVPVSSYSA-N 378.458 2.900 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H](c2ccccc2)O1 67602930 ANLLTEQQGDXNFX-BEFAXECRSA-N 388.489 2.762 0 40 GFAB CC(C)(C)c1ccc2cc(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)[nH]c2c1 67814629 YCMADEBWEAHNMB-OAHLLOKOSA-N 377.510 2.619 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)c(Br)c1 69200555 WOJKNPWFHNBZKK-ZDUSSCGKSA-N 390.299 2.674 0 40 GFAB COC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccccc1Cl 8728901 MEEGCVADSJLXSN-QGZVFWFLSA-N 388.851 2.881 0 40 GFAB CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@]1(C)CCS(=O)(=O)C1 84810518 WWZJPYXWURQUBK-CQSZACIVSA-N 380.388 2.803 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)cccc2C)cc1 113871511 ZDEKYELTQXPZTE-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408582872 FNWIKBYQMVJMBH-UHFFFAOYSA-N 388.917 2.856 0 40 GFAB CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408625203 VWJAMVQSPUACKD-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB Cc1csc(CN2CC3(C[C@@H](COc4ncccc4F)CCN3C)C2)n1 306141744 WFBLZHPTQUHFIT-HNNXBMFYSA-N 376.501 2.961 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCC)c(Cl)c1 408533022 PHGXCHAGSYAMHP-GFCCVEGCSA-N 376.906 2.712 0 40 GFAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 63489748 WKTDDJBYQUKGBK-YOEHRIQHSA-N 376.453 2.732 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 36752879 LMUAEZOFWNFJCP-SFHVURJKSA-N 396.447 2.649 0 40 GFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 62526459 ZQJLOSVKBFKLQZ-HUUCEWRRSA-N 394.947 2.907 0 40 GFAB O=C(NC1CCCC1)c1cc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n[nH]1 72380650 DGYLFRNFYWWUCI-INIZCTEOSA-N 396.491 2.867 0 40 GFAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)c1 72390950 MRCBNJSGXHQYFB-IRXDYDNUSA-N 380.492 2.523 0 40 GFAB O=C(Nc1cccc(N2C(=O)CNC2=O)c1)N1CC[C@@H](c2ccc(F)cc2)C1 562309960 FLYUFZPXHFFFPI-CQSZACIVSA-N 382.395 2.903 0 40 GFAB O=C(NCCNc1nc(-c2ccncc2)cc2ncccc12)C1CCOCC1 72373212 SSYTYTCIGNGPMC-UHFFFAOYSA-N 377.448 2.647 0 40 GFAB NC(=O)c1cc(N)cc2nc(-c3cccc(I)c3)oc12 73641716 DPDWQUMGIHNLQW-UHFFFAOYSA-N 379.157 2.781 0 40 GFAB CN1C(=O)S[C@H](CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)C1=O 72396263 RDFUQPGUAKTZPG-DOTOQJQBSA-N 398.488 2.509 0 40 GFAB CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225103793 ZQJLQUBVRIACTH-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB O=C(CCSc1ccccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782627 FLVZEXGCXXXSRZ-UHFFFAOYSA-N 383.448 2.901 0 40 GFAB Cc1noc(-c2ccc(N3CCC4(CC3)Nc3ccccc3NC4=O)nc2)n1 82106407 POIONKYMBJDDTN-UHFFFAOYSA-N 376.420 2.843 0 40 GFAB CCc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)cc1 533240415 CQYDHJYEJQOUDQ-UHFFFAOYSA-N 395.503 2.963 0 40 GFAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccccc1)S(C)(=O)=O 223755553 AJUHPSAFMCCUNK-UHFFFAOYSA-N 390.505 2.771 0 40 GFAB COc1ccc(CN(C)C(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222425685 VPEKTZXOMQZSMS-UHFFFAOYSA-N 376.478 2.672 0 40 GFAB COc1cc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)ccc1OCC(=O)O 96231329 AORQGTXOFNAEQQ-JTQLQIEISA-N 385.401 2.637 0 40 GFAB O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCC[C@@H](n2ccnn2)C1 583259309 JEDHKZFQACZYJJ-CYBMUJFWSA-N 383.433 2.608 0 40 GFAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccccc3OC)ccc21 96182204 QCQXYYHZBVZSMP-UHFFFAOYSA-N 382.416 2.745 0 40 GFAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)Cc3ccc(OC)cc3)ccc2NC1=O 96182215 LFFTVWFVFCGKSV-NRFANRHFSA-N 398.415 2.529 0 40 GFAB O=C(NCCc1cccc(F)c1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344202 RHDYZGDHIBVTAR-CYBMUJFWSA-N 384.386 2.553 0 40 GFAB CNC(=O)c1sc2nc([C@]3(C)CCCN(c4ncccn4)C3)ccc2c1N 257207775 BJEFMDPQSJNJCP-LJQANCHMSA-N 382.493 2.586 0 40 GFAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN2Cc2ccccc2OCC(=O)O)n1 257321210 WAPIPYWYTDGTQL-INIZCTEOSA-N 393.447 2.976 0 40 GFAB O=C(CSc1ccncc1)NCc1nnc2ccc(-c3ccsc3)nn12 253473565 WKWVGLQGKQEUQP-UHFFFAOYSA-N 382.474 2.656 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 260743727 QFHOTSJLICVFDB-CABCVRRESA-N 388.489 2.828 0 40 GFAB O=C(NC[C@@H]1Cc2ccccc2CO1)Nc1ccc(F)cc1N1CCOCC1 626585095 CASTVAAGRYVHFZ-SFHVURJKSA-N 385.439 2.925 0 40 GFAB CCC(=O)c1cccc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 660150870 MKDKIINVOTVNKP-QGZVFWFLSA-N 394.537 2.543 0 40 GFAB O=C(Nc1ccc2ncnn2c1)C1(S(=O)(=O)c2ccccc2)CCCCC1 662131351 LOVMNLLCWCNVNS-UHFFFAOYSA-N 384.461 2.845 0 40 GFAB Cc1ccncc1CC(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O 668324284 QAMJNFLAOCHREN-UHFFFAOYSA-N 387.383 2.962 0 40 GFAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4cccc5cccnc45)C3)ncn2)n1 390826364 JCDNWEUBBFIFDN-UHFFFAOYSA-N 399.458 2.902 0 40 GFAB O=C(NC[C@](O)(c1ccoc1)c1ccco1)C1(c2ccccc2)CCOCC1 390826514 NEFRUZKRUYXECY-QFIPXVFZSA-N 381.428 2.973 0 40 GFAB Cc1ccc(NC(=O)N2CCN(C(=O)c3cnc4cccnn34)CC2)cc1Cl 583816300 SBCJCWLKNHCHOZ-UHFFFAOYSA-N 398.854 2.681 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 585397560 UMENJVPXEXDWEL-MRXNPFEDSA-N 395.912 2.692 0 40 GFAB CC1(C)C[C@@]2(CCCN2C(=O)CCN2CCOCC2)CN1c1cccc(F)c1 1615126921 OWJPSDMSYFBFHS-QFIPXVFZSA-N 389.515 2.898 0 40 GFAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 5560009 WRCSADPQHWHOSL-UHFFFAOYSA-N 380.491 2.796 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccccc2F)cc1 11707629 JIZQAPRKSATYPW-UHFFFAOYSA-N 382.482 2.860 0 40 GFAB NC(=O)C1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)CC1 12221816 LPJVJEANYTWEQN-UHFFFAOYSA-N 382.855 2.889 0 40 GFAB CCOc1ccccc1NC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C 13006873 ZSWDPXASHIOVPF-UHFFFAOYSA-N 381.476 2.765 0 40 GFAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCC[C@H](O)C2)cc1)OCO3 13563070 QMNFPYLBGQXCQQ-SFHVURJKSA-N 393.443 2.830 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19135311 XLXJUTPZKLCHGO-IBGZPJMESA-N 380.492 2.822 0 40 GFAB Cn1nccc1C(=O)NCCn1ncc(-c2ccncc2)c1-c1cccs1 19289204 XSONUBSPYNNNKU-UHFFFAOYSA-N 378.461 2.837 0 40 GFAB c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19369613 RCRASJLIYQLENX-RTWAWAEBSA-N 396.539 2.502 0 40 GFAB CC(=O)N[C@H]1CNC2(CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1 19704148 NALUVFCXAPJDGX-LJQANCHMSA-N 377.488 2.826 0 40 GFAB Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 19746441 KMVCQFJRZXMHKN-INIZCTEOSA-N 387.509 2.722 0 40 GFAB COc1ccc([C@H]2CN(C)C[C@@H]2CNc2nc(O)c3c(n2)CCCC3)cc1OC 12235243 WSKRIIYGKZTSJO-DOTOQJQBSA-N 398.507 2.836 0 40 GFAB COc1ccccc1CC(=O)N1CCC([C@@H](NC(C)=O)c2nccs2)CC1 12365730 GBHNBPAOSRPGED-LJQANCHMSA-N 387.505 2.810 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)N3CCC(C)CC3)CC2)C1 12365539 INKOVQYQBUSYFE-UHFFFAOYSA-N 399.535 2.521 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)s1 1888918102 NMJNMUDSJFJVFB-CYBMUJFWSA-N 383.882 2.599 0 40 GFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCc1ccc(C(N)=O)cc1 16759086 VIZWBJIACWOADL-KRWDZBQOSA-N 390.386 2.562 0 40 GFAB COc1ccc(NC(C)=O)c(NC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)c1 1136407288 TWCSPLBSTMTBKY-LBPRGKRZSA-N 395.415 2.585 0 40 GFAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)Nc1nccs1 2720493 QDOIRWRKDGMPJR-NSHDSACASA-N 376.419 2.769 0 40 GFAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC(C)C)c2=O)cc1 4359066 QPENFXBZEPFXAV-UHFFFAOYSA-N 391.427 2.732 0 40 GFAB O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941728 KZFKTXGTAIMKQA-UHFFFAOYSA-N 386.408 2.606 0 40 GFAB CC[C@@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(C)nn12 5005764 JHAGJVJKLLGKLX-SNVBAGLBSA-N 389.481 2.610 0 40 GFAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccn2)CSC3)c1 5381101 URQXBHDKWGLMKD-UHFFFAOYSA-N 393.472 2.577 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 8864216 FBPBZHMMLLZQCD-KRWDZBQOSA-N 387.505 2.957 0 40 GFAB Clc1cc2c(cc1Cn1nnc(-c3cccc(-n4cccn4)c3)n1)OCO2 15081693 MMUYQGRUFHRJNG-UHFFFAOYSA-N 380.795 2.956 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cccs1)N1CCOCC1 23107863 LRHHMMIVGDLVTN-HNNXBMFYSA-N 384.498 2.547 0 40 GFAB CN1c2ccc(F)cc2N(CCNC(=O)Nc2ccccc2Cl)S1(=O)=O 575610794 ASQUSQTULFFUPM-UHFFFAOYSA-N 398.847 2.802 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)cc1OC 575613559 RWDBENDYVZMFCY-BVBGJJFLSA-N 387.411 2.716 0 40 GFAB O=C(CCSc1ccccc1)NCCN1Cc2cc(F)ccc2OCC1=O 575610001 HTKNRBNXGRBGFB-UHFFFAOYSA-N 388.464 2.845 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2ccnc(C)n2)CC1 585146986 BZACCNLVXDPVFZ-UHFFFAOYSA-N 397.884 2.679 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 32981971 UISRVQWINUUZSE-MRXNPFEDSA-N 390.505 2.798 0 40 GFAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1cnn(-c2ccccc2)c1 40012959 ZUZJMJOALOSGJI-NRFANRHFSA-N 389.455 2.931 0 40 GFAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccccc2)CN3)cc1Cl 40266914 LOXCSRSMQIMOJR-UHFFFAOYSA-N 398.850 2.573 0 40 GFAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(c2ccccc2Br)C1 32657843 UMIPDFCOLYUOLU-ZDUSSCGKSA-N 388.265 2.556 0 40 GFAB Cc1cc(C(=O)OCCCc2ccncc2)cc(S(=O)(=O)N(C)C)c1C 32727192 RXLVVQWOWBVBHT-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]23)cc1OC 102886596 VXPJBWYDQBVGJW-VQIMIIECSA-N 380.400 2.613 0 40 GFAB CN(CC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)c1ccsc1 53028083 IFNXGNFYHIIWEW-UHFFFAOYSA-N 385.533 2.773 0 40 GFAB COc1ccc(-c2cnn([C@@H](C)C(=O)Nc3cc(F)ccc3F)c(=O)n2)cc1 33324700 NTHIFSISWXLEGR-NSHDSACASA-N 386.358 2.792 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc(-c3ccccc3)ns1)C2=O 42090831 DGJUGDMNKSRUEZ-BLVKFPJESA-N 399.476 2.644 0 40 GFAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccncc1 866658 HJZVVGUFOGSDAM-JSRAGOMMSA-N 395.418 2.619 0 40 GFAB CCOC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2c(CC(C)C)csc21 12391149 HGNLAUQVJPWDAD-UHFFFAOYSA-N 386.473 2.976 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4[C@@H](C)CCC[C@@H]4C)cnc32)cc1 1330691 KSJIGEZGCJILON-HOTGVXAUSA-N 379.464 2.680 0 40 GFAB CC[C@H]1Oc2ccccc2N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O 1361957 UTNCZQVDMMMPIF-LJQANCHMSA-N 397.450 2.679 0 40 GFAB CN(C)C(=O)c1cc(C(=O)N(C)C)c[n+](Cc2c(Cl)cccc2Cl)c1 1723654 RZFINNJTILCOID-UHFFFAOYSA-N 381.283 2.733 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104704599 JNFAQMOKIASNLD-MUQADHOPSA-N 397.475 2.857 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)/N=c3/sc4ccccc4n3C)cnc12 104905608 IMANYZWZFGNARS-LSDHQDQOSA-N 378.457 2.776 0 40 GFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 54537029 VTUSOCUYWHJERC-OAHLLOKOSA-N 382.436 2.809 0 40 GFAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23846664 LOLDLHHLDSWAAG-UHFFFAOYSA-N 388.471 2.765 0 40 GFAB O=C(NC1CC1)[C@H]1CCCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 54985374 SPQIJMLZZOATTC-MRXNPFEDSA-N 394.500 2.895 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O 4906254 HDPZJNWAETVCTI-SFHVURJKSA-N 393.487 2.787 0 40 GFAB O=C(COC(=O)c1cc(Br)ccc1O)c1ccc2c(c1)OCO2 6643675 OOAWGEHBHZOHBU-UHFFFAOYSA-N 379.162 2.923 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)c(C)c1 7604543 LYHJRPODFMMVLK-UHFFFAOYSA-N 380.441 2.840 0 40 GFAB O=C(c1ccc2ccccc2n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26539160 RFICZJXZCXPNCO-UHFFFAOYSA-N 375.428 2.922 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1 100637369 MBVYOZUUIKEDCF-HOTGVXAUSA-N 386.517 2.954 0 40 GFAB Oc1ccc(-c2cn3nc(N4CCN(c5ccccn5)CC4)sc3n2)cc1 1414376 XMIYHXUWJDGPST-UHFFFAOYSA-N 378.461 2.885 0 40 GFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCN(C(=O)N2CCCC2)C1 58394213 FGRRXXVSVLLZOU-GFCCVEGCSA-N 381.379 2.874 0 40 GFAB Cc1nc(CN2CCN(C(=O)Nc3cccc(-c4nnco4)c3)CC2)cs1 44085246 HIKOQDHEOKJFOH-UHFFFAOYSA-N 384.465 2.851 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1C 57531978 FDQIQGPNAJJMFL-SMDDNHRTSA-N 384.432 2.941 0 40 GFAB CC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccccc2Cn2cncn2)c1 57994875 WXXZZUKTDVXFRM-MRXNPFEDSA-N 378.432 2.613 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(F)ccc1F 20019084 UTWQEWBQATWZRI-UHFFFAOYSA-N 396.415 2.767 0 40 GFAB FC(F)(F)c1nnc2ccc(N[C@H](CN3CCOCC3)c3ccccc3)nn12 12752238 CCVHTZVKSCIVRD-CQSZACIVSA-N 392.385 2.629 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)cc1 12739051 UPHZADMBCCWKKY-INIZCTEOSA-N 394.471 2.935 0 40 GFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(F)cc1 12767968 YQWRVXXSRBWPGZ-DHZHZOJOSA-N 381.407 2.751 0 40 GFAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 58222745 BVXYHKMUNXJEQM-KRWDZBQOSA-N 378.480 2.795 0 40 GFAB CCn1ccc(-c2cc(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c3c(C)noc3n2)n1 101545843 IIVHNQWIFZDTIP-GJZGRUSLSA-N 394.479 2.770 0 40 GFAB C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1nc(-c2cccs2)no1 45357781 GDRFELKPZOBFLI-LLVKDONJSA-N 377.447 2.740 0 40 GFAB CC(C)(C)c1ccc2cc(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)[nH]c2c1 62302481 YCMADEBWEAHNMB-HNNXBMFYSA-N 377.510 2.619 0 40 GFAB COc1cc(CNCCNCCO)cc(Cl)c1OCc1ccccc1F 22075780 ZHKRNSIJWVKPMZ-UHFFFAOYSA-N 382.863 2.738 0 40 GFAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1NS(C)(=O)=O 12825073 BXICXPGFGKKFIO-UHFFFAOYSA-N 384.841 2.738 0 40 GFAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 12895319 VMIFTRDXDOYBEG-UHFFFAOYSA-N 391.221 2.768 0 40 GFAB CC1CCN(c2nnc(S[C@H](C)C(=O)NC(C)C)n2C[C@@H]2CCCO2)CC1 11747542 JNGZYJWRRSQDDK-CVEARBPZSA-N 395.573 2.699 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCc2cc(F)c(F)cc21 46071393 FDCQLWXWXOMHIJ-UHFFFAOYSA-N 383.372 2.813 0 40 GFAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCC(=O)NC(=O)NC(C)(C)C)C1 29650483 GBRBOCPPRVRZOL-GJZGRUSLSA-N 388.512 2.841 0 40 GFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@@H](O)COCc1ccc(Cl)cc1 12811822 QQDFXNOKKXGHEL-MRXNPFEDSA-N 378.787 2.874 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 2657177 KFFVCIJIPHWSOA-UHFFFAOYSA-N 395.444 2.585 0 40 GFAB O=C(c1cnn2cccnc12)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12982163 FBBYALPPFCCQOP-UHFFFAOYSA-N 389.381 2.706 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2)n1 13018101 TXKIYRTZSIPHFE-UHFFFAOYSA-N 387.443 2.998 0 40 GFAB Cc1ccc(I)c(NS(=O)(=O)c2cccc(N)c2)c1 3887422 CTPGAHDPLNPBSK-UHFFFAOYSA-N 388.230 2.983 0 40 GFAB CCOc1ncccc1CN[C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013558 DEAWWIKOPVZFGN-PXNSSMCTSA-N 399.491 2.996 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)NCCc1c[nH]c2ccc(Cl)cc12 13625779 FRYODZUBSUSPLO-UHFFFAOYSA-N 395.850 2.675 0 40 GFAB COc1cccc(-c2nc(C)c(C(=O)NCCNC(=O)c3ccncc3)s2)c1 13719325 SENLYUYBZTXLEL-UHFFFAOYSA-N 396.472 2.682 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 4338046 PCFFHFGMZBUXOR-JJRVBVJISA-N 396.390 2.661 0 40 GFAB CCN(CC)CCCn1c(C)c(C)c2c(NCCN3CCOCC3)ncnc21 5346893 WBINPDFFHJVXJJ-UHFFFAOYSA-N 388.560 2.524 0 40 GFAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccccc1Cl)C2=O 14161949 JVKRJKLREZFPGB-BTUGKURYSA-N 380.872 2.718 0 40 GFAB COCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 408558761 SVUWCJBWLKTHFX-UHFFFAOYSA-N 398.868 2.526 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccc(C)c(Cl)c2)cc1 14240348 RCZGEBSLSWTXEZ-UHFFFAOYSA-N 394.924 2.947 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](Cc1ccc(OC)cc1OC)c1nn[nH]n1 5444733 XDDIOHKOJHKREK-HNNXBMFYSA-N 397.435 2.581 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)N1CCc2ccccc21 6539180 AAPLWTXIQQPFRV-FQEVSTJZSA-N 398.434 2.713 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2Br)cc1 5559466 BLRGBIUBWPNYOC-UHFFFAOYSA-N 384.251 2.919 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 97117834 PDGGTCJWYWDHNW-IBGZPJMESA-N 387.505 2.569 0 40 GFAB Cc1ccccc1-c1nnn(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 7228686 IAGZALABESKXIN-UHFFFAOYSA-N 396.882 2.651 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 8489338 HOQYPSBOJWLFLR-ZIAGYGMSSA-N 397.504 2.705 0 40 GFAB C[C@H](OC(=O)CCn1ncc(=O)c2ccccc21)C(=O)NC1CCCCCC1 8409906 MNBBKXGLVJTTNK-HNNXBMFYSA-N 385.464 2.557 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)c(F)c1 8706737 LVSSCRSJMRQROS-UHFFFAOYSA-N 393.422 2.571 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 19210997 TVPBWLBPCQFWSK-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)Cn3c(C)csc3=O)o2)cc1 19354653 NAINKBMEDCDRJX-LLVKDONJSA-N 375.406 2.581 0 40 GFAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCC[C@H]1C(=O)Nc2ccccc21 95947342 GWSPUYBSGJICQC-NVXWUHKLSA-N 377.444 2.820 0 40 GFAB CCCCCNC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408614059 XWACBFUYYQNRGH-UHFFFAOYSA-N 391.331 2.517 0 40 GFAB Cc1ccc(N2C(=O)CN(CCC3=CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773623 CGBQGAMSNHTLHM-VQTJNVASSA-N 388.533 2.700 0 40 GFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)CCOC)C3)c2)cn1 72353637 DZDIEARCYXEQNT-QGZVFWFLSA-N 396.491 2.554 0 40 GFAB CCCCCC(=O)O[C@H]1C=C2COC(=O)[C@@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 35464582 AKSMCYXVBDZJRK-BRYJNJBFSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro COc1ccccc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 72321771 SHNMGCVIGUUKAP-JOCBIADPSA-N 395.377 2.722 0 40 GFAB biogenic,in-vitro COc1ccc(C[C@@H](C)N(C(C)=O)[C@H](C)c2ccccc2)cc1S(N)(=O)=O 34947698 OJGVFWROPZSLOY-HUUCEWRRSA-N 390.505 2.883 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc(C(=O)OC)c1 30942937 ZJQSKGDWNCABKN-UHFFFAOYSA-N 393.399 2.757 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(Oc2cccc3[nH]ccc23)nc1 72403964 IMQYGZOUMAOYCJ-UHFFFAOYSA-N 378.388 2.833 0 40 GFAB COCCN1CCN(C(=O)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H](CC(C)C)N2)CC1 49171444 VTETWYWOVORYDD-SFTDATJTSA-N 398.551 2.560 0 40 GFAB biogenic,in-vitro COc1ccc([C@@H](CC(=O)NCCC2=CCCCC2)NS(C)(=O)=O)cc1 225954706 NABXDQHESUCZHP-GOSISDBHSA-N 380.510 2.682 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 40389054 MWJHGOWEDZWSTH-DZGCQCFKSA-N 395.463 2.522 0 40 GFAB S=C(NCc1cccnc1)Nc1nc(N2CCCCC2)cc(N2CCCC2)n1 225939318 IRPYTOZPKQLBJB-UHFFFAOYSA-N 397.552 2.949 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1sc(Cl)nc1Cl 48310992 SPWVGGUDRUYMPH-ZDUSSCGKSA-N 385.276 2.787 0 40 GFAB CCOCc1nn2c(=O)cc(COC(=O)c3cccc(Cl)c3)nc2s1 41077269 GGRDLFGFSAVGOW-UHFFFAOYSA-N 379.825 2.698 0 40 GFAB COc1ccccc1/C=C/C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 46080885 JUMWZJMMUOBBFJ-VQHVLOKHSA-N 380.444 2.782 0 40 GFAB O=C(NCCCOC(=O)c1snnc1-c1cccnc1)c1cccc(F)c1 223853459 BZKKFRGXTOXVHR-UHFFFAOYSA-N 386.408 2.716 0 40 GFAB CCOC(=O)C(CNC(=O)OC(C)(C)C)(Cc1ccccc1)C(=O)OCC 521395832 ZEYAOPBMVLGMAS-UHFFFAOYSA-N 379.453 2.866 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2cc[nH]n2)C1 257235726 GZCLISRUKVKFRU-OAHLLOKOSA-N 381.484 2.917 0 40 GFAB Cn1nccc1NC(=O)Cn1nc(-c2ccc3c(c2)OCO3)c2ccccc21 48488348 PKFMHALWOZVTBI-UHFFFAOYSA-N 375.388 2.804 0 40 GFAB COC(=O)c1csc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1 1664980457 LYVLUAOAGHFWCI-MRXNPFEDSA-N 391.470 2.700 0 40 GFAB Cc1ccc(Cc2ccccn2)cc1NC(=O)N[C@H]1CCc2c(nnn2C)C1 654065529 AHRNXPVJZWOATC-KRWDZBQOSA-N 376.464 2.788 0 40 GFAB O=C(NCc1cn(C2CC2)c(=O)nc1O)NCc1c(Cl)oc2ccccc12 1683862076 LYJFHIUUXZZTOT-UHFFFAOYSA-N 388.811 2.683 0 40 GFAB OCC[C@@H](NC1CCN([C@H]2CCOC2)CC1)c1ccccc1Br 655751686 QEIQGZXHIWFRRT-MAUKXSAKSA-N 383.330 2.716 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96381058 GMYTUEPBJZBBMV-UHFFFAOYSA-N 394.836 2.759 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@H]2C(=O)N[C@@H]2CCC2(F)F)C1 585107348 SIFBEOKJUBCRCA-PMUMKWKESA-N 381.423 2.838 0 40 GFAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cccc(F)c2)CC1 585114283 RFVUNDNZQUENCQ-RTBURBONSA-N 386.471 2.859 0 40 GFAB CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC4=C(O)C[C@H](C[C@H](O)[C@@H](C)[C@H]3C=C[C@@H]21)OC4=O 1772591918 UWWREIQRGHNEAS-DRYZWFJPSA-N 390.476 2.911 0 40 GFAB CCSc1nnc([C@@H]2CCCN(CC(=O)Nc3nc(C)cs3)C2)n1C 5001505 STKYCRXNXBPNFX-GFCCVEGCSA-N 380.543 2.510 0 40 GFAB COc1ccccc1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)Nc2ccccc21 12238263 UWGJZPYYTPNJIE-GOSISDBHSA-N 381.476 2.711 0 40 GFAB O=C(NCc1ccccc1OC(F)F)c1ccc(CN2C(=O)CCC2=O)cc1 12826699 XXZJDSYFIYOACK-UHFFFAOYSA-N 388.370 2.867 0 40 GFAB NC(=O)[C@H]1CN(c2nc(-c3cccs3)nc3sc4c(c23)CCCC4)CCN1 12999269 SXWYXHUOINXLLF-GFCCVEGCSA-N 399.545 2.562 0 40 GFAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13681742 NTRXSMCNCVFARX-UHFFFAOYSA-N 382.507 2.730 0 40 GFAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 14404802 ZSIIQFPTGWNXBN-UHFFFAOYSA-N 390.403 2.701 0 40 GFAB O=C(Nc1cccc(C(=O)Nn2cnnc2)c1)c1ccc(Br)cc1 14405892 NDUUMMJEXCPWCD-UHFFFAOYSA-N 386.209 2.677 0 40 GFAB C[C@H]1CCCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 16642156 MFWDYHBFUYLVRI-NSHDSACASA-N 379.254 2.694 0 40 GFAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCC(O)CC2)cc1)OCO3 19335598 CYOICLVHVLALNL-UHFFFAOYSA-N 393.443 2.830 0 40 GFAB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 19502122 GMHZTUATHNAEMF-OALUTQOASA-N 376.549 2.644 0 40 GFAB CCCCN(C)CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 19502221 GJEIKUYNKBYDET-LJQANCHMSA-N 381.480 2.630 0 40 GFAB Cc1cnc(C(=O)N2CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C2)cn1 19704496 UGSVBOFBDGBAFG-AWEZNQCLSA-N 381.411 2.856 0 40 GFAB Cc1noc2nc(C(C)C)cc(C(=O)NC3=NS(=O)(=O)c4ccccc43)c12 19714748 WABLTBWTSVVGJD-UHFFFAOYSA-N 384.417 2.534 0 40 GFAB Cc1ncc(C(=O)N2CC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)c(C)n1 19745488 CPBKCCZIKMWPOB-MRXNPFEDSA-N 386.883 2.568 0 40 GFAB Cc1ncncc1C(=O)N1CCC[C@@H](c2ccc(C(=O)NC3CCCC3)cn2)C1 19754509 ANGZBLZKSBWBLE-QGZVFWFLSA-N 393.491 2.872 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)ncc1C(=O)N1CCCCC1 19766281 SNGJLUYZHOKUQF-GOSISDBHSA-N 393.491 2.826 0 40 GFAB CCOc1ccccc1S(=O)(=O)NCC1CCN([C@@H]2CCSC2)CC1 225572993 PRBSAZKQYLANSB-MRXNPFEDSA-N 384.567 2.581 0 40 GFAB Cc1nc(=O)c2c([nH]1)[C@]1(C)CCCN(C(=O)CCc3cc(Cl)no3)[C@H]1CC2 12120967 RQZBLMKEVZZINO-IFXJQAMLSA-N 390.871 2.547 0 40 GFAB CCN1CCN(C(=O)COC)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527466 BZKGIBGRWZFVPJ-HXUWFJFHSA-N 398.478 2.989 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@@H]3C2)nn1 1888875922 KNIMKIMXDBMCIU-GJZGRUSLSA-N 381.480 2.848 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]3C2)nc2ccccc21 1888913450 KNCYPPMMKAYEMI-HZPDHXFCSA-N 379.464 2.869 0 40 GFAB Cc1cc(-c2cc(C(=O)N3CCNC(=O)C3)c3cnn(C(C)C)c3n2)c(C)s1 23448174 AODUNXHAGGEVMQ-UHFFFAOYSA-N 397.504 2.930 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037850099 VBSNNJAOWOKHSZ-UHFFFAOYSA-N 397.475 2.649 0 40 GFAB CC(C)N(C)CC(=O)N1CCC2(CC[C@@H]2NC(=O)CCc2ccccc2)CC1 1565554220 UKZRUBTXCOQWJD-FQEVSTJZSA-N 385.552 2.847 0 40 GFAB CCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 4370547 XBVVRGYSSIREQN-UHFFFAOYSA-N 385.855 2.737 0 40 GFAB CCOc1ncccc1C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1 9626784 CIDCXKWDURCIOK-UHFFFAOYSA-N 398.444 2.593 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1 9852880 PDRPTGWPALNOPO-UHFFFAOYSA-N 391.399 2.779 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1c(F)cccc1Cl 10251186 GPDJDSNFWUDVBG-UHFFFAOYSA-N 383.770 2.759 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)C1 13790087 LSUKCOSHDBAVKX-CQSZACIVSA-N 398.488 2.840 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 585163240 BBOIWCJMKDLFCX-MRXNPFEDSA-N 389.459 2.541 0 40 GFAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(C)CC3)c(O)n2n1 22458817 FAXCOGQKPGSPLL-CQSZACIVSA-N 377.901 2.795 0 40 GFAB CC(=O)Nc1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1 225737621 PGBVIWBJTJSZTF-UHFFFAOYSA-N 393.491 2.713 0 40 GFAB C[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1cc(F)ccc1F 40091448 XRRJKJSDZSFWST-CYBMUJFWSA-N 376.407 2.757 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCC2)cc1 20068841 GMDTWEADPFJHQL-IAGOWNOFSA-N 387.509 2.757 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(O)cc4)CC3)on2)cc1 31288220 LIWMDLMEGLNNBZ-UHFFFAOYSA-N 391.427 2.954 0 40 GFAB O=C(COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1cc(Cl)ccc1Cl 100646794 MCUPLIBUCFXMBW-MDYBRZHASA-N 384.215 2.673 0 40 GFAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 51232990 DJDRBDYPIWGOHK-IBGZPJMESA-N 398.422 2.812 0 40 GFAB Cn1ncc2c(N3[C@H]4CC[C@H]3CC(O)(Cc3ccc(F)cc3F)C4)ncnc21 101814628 LRXFPCQIRYUTAY-GJZGRUSLSA-N 385.418 2.747 0 40 GFAB Cc1ccccc1-n1ncc(C(=O)N2CCN(Cc3ccccn3)CC2)c1C 32823659 UHHKCVHVUXFVRM-UHFFFAOYSA-N 375.476 2.842 0 40 GFAB Cc1cc(=O)n2nc(COC(=O)COc3ccc(C(C)(C)C)cc3)sc2n1 21602111 PVZBNHKEODHXKX-UHFFFAOYSA-N 387.461 2.879 0 40 GFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCOc4ccccc43)cc2C[C@@H]1C 21867145 QOUAILDGQNMNEI-UGSOOPFHSA-N 386.473 2.786 0 40 GFAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325519 MUUOLMXANSUAKX-MRXNPFEDSA-N 399.472 2.741 0 40 GFAB NC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)c1 47438755 FLMXSQRYBBYMKO-INIZCTEOSA-N 395.484 2.967 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnnn1-c1cccc(OC)c1 783280 HOZNIXVWZRJAGT-UHFFFAOYSA-N 385.449 2.800 0 40 GFAB C[C@@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 79103905 DPQVOIJSCRJBTK-WMLDXEAASA-N 377.462 2.638 0 40 GFAB CC1CCC(NC(=O)CN2CCC(NC(=O)CCc3ccccc3)CC2)CC1 47895052 YVFHKXLUTFIRSW-UHFFFAOYSA-N 385.552 2.895 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O 4906247 HDPZJNWAETVCTI-GOSISDBHSA-N 393.487 2.787 0 40 GFAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1cccs1 24574731 ZZNDMDGYSBFSCW-SJORKVTESA-N 384.505 2.702 0 40 GFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 101578643 BQQVNSIEULXIPZ-GKHNXXNSSA-N 388.508 2.609 0 40 GFAB COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 8729423 XSDIQFQKFBOSTB-UHFFFAOYSA-N 396.852 2.667 0 40 GFAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1ccccc1Cl 8732504 LXQIZMGNPSCUMQ-GFCCVEGCSA-N 388.807 2.795 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 12547298 FKZQGEXUMHNGPM-QGZVFWFLSA-N 375.425 2.636 0 40 GFAB NS(=O)(=O)c1cccc(NC(=O)c2csc(CCc3ccccc3)n2)c1 107201548 VTMAFCKZBPRJAV-UHFFFAOYSA-N 387.486 2.828 0 40 GFAB CC(=O)N1CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 12520315 LYAJYZNYWYTBHQ-UHFFFAOYSA-N 394.500 2.931 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNCc2ccc(F)cc2)c1 57341876 RKBHOXSHWSDWDS-UHFFFAOYSA-N 393.484 2.585 0 40 GFAB Cn1c(C(F)(F)F)nn(CN2CCN(c3ccc(F)cc3)CC2)c1=S 57395014 DWPFULIAWGVMLS-UHFFFAOYSA-N 375.395 2.889 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCOc3ccccc3OC)n[nH]2)c(OC)c1 57477408 ATODCUZMWKESBG-UHFFFAOYSA-N 397.431 2.911 0 40 GFAB COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 2068356 LIJXYNSORFYSMJ-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3CS2(=O)=O)cc1Cl 58159710 QUOKZMVWPDMZSE-UHFFFAOYSA-N 378.837 2.573 0 40 GFAB O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)c1nc(N2CCCC2)ncc1Cl 95424531 DGCJSUCWLUQAJR-CYBMUJFWSA-N 396.781 2.564 0 40 GFAB CC[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399738 YBPGLWHWHWZEQX-AWEZNQCLSA-N 385.555 2.653 0 40 GFAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 58433144 GKIXZLPNOPYXPD-IBGZPJMESA-N 394.475 2.947 0 40 GFAB O=C(CCN1CCSC1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 48299379 YWQBPJLITQXVGB-UHFFFAOYSA-N 385.371 2.784 0 40 GFAB CCCCNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C 2213285 CNCGNPLPESVEGO-UHFFFAOYSA-N 385.489 2.987 0 40 GFAB CCCNC(=O)CN(C)C(=O)CN(C)[C@H](C)c1cccc(-c2ccncc2)c1 95459791 GLQDTSLERMUIJD-QGZVFWFLSA-N 382.508 2.726 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc3ccccc23)C1=O 12789339 KBNRFOFZGHLZSQ-JOCHJYFZSA-N 389.411 2.717 0 40 GFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(-c3ccccc3)o1)CC(=O)N2 36358180 UEMPQXDKTFRHDD-CQSZACIVSA-N 387.399 2.998 0 40 GFAB CCN(CC)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCC[C@H]4C 2354029 ZQXFZLBCBWPDGV-GFCCVEGCSA-N 386.525 2.850 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)n1N 2396178 RVTPRBNQKXUOMP-UHFFFAOYSA-N 391.403 2.677 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 12752205 GXYJEPRFPRAXQH-UHFFFAOYSA-N 382.851 2.535 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 12785796 NUROPKFODHHBBN-UHFFFAOYSA-N 383.473 2.848 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1OC(F)F 12777860 OZAQOQXUBMMRRO-UHFFFAOYSA-N 390.386 2.690 0 40 GFAB NC(=O)N[C@H](CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccccc1 12754988 UDKLMEWTQWVEHP-HXUWFJFHSA-N 380.492 2.698 0 40 GFAB CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)[C@@H]1CCC(=O)N1 2494330 FWVNESRONZZDRS-JXFKEZNVSA-N 391.537 2.583 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCCOC1CCCCC1 11355759 RNJZXAQCHXGMEW-UHFFFAOYSA-N 382.526 2.715 0 40 GFAB Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)OCC(=O)C(C)(C)C 11392489 JKGVATTWUGFIRY-UHFFFAOYSA-N 389.477 2.923 0 40 GFAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl 102014905 XMIXAOQJFLRXRZ-ZQDZILKHSA-N 392.242 2.905 0 40 GFAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cncc(Br)c1 46660557 SNUXRZZYLRDYFM-UHFFFAOYSA-N 385.221 2.753 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3412165 QMMQPHNQEDJNRO-CMJOXMDJSA-N 389.455 2.748 0 40 GFAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c1 12985133 UDAHTVLRVSKYAJ-DYESRHJHSA-N 388.464 2.520 0 40 GFAB Cc1cc(C)c(C(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cc1C 12995653 IOWYCMYDQVTQES-AWEZNQCLSA-N 393.534 2.617 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1C 9191895 GQFGUWXSQZIKHM-UHFFFAOYSA-N 390.461 2.707 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc2c(c1)CCC2 4468635 VNPMHQLSZIEECF-HSZRJFAPSA-N 389.455 2.897 0 40 GFAB COc1cc(C(=O)OCC(=O)N2CCc3sccc3C2)cc(OC)c1OC 14212953 DTJALGZRDTUDQC-UHFFFAOYSA-N 391.445 2.516 0 40 GFAB Cc1ccc(C)c([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 24959693 KUPMJGPQCOPVCE-OAHLLOKOSA-N 386.473 2.715 0 40 GFAB COc1cc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc(OC)c1OC 5577451 FTGSZYNRHFFBEV-UHFFFAOYSA-N 383.404 2.834 0 40 GFAB COc1ccc(CNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4712029 RFDDJBUVLBMVTF-UHFFFAOYSA-N 399.466 2.580 0 40 GFAB CC(=O)c1ccc(-n2c(Cn3ncc4ccccc4c3=O)n[nH]c2=S)cc1 5789539 VIQXMLDYEGDNOL-UHFFFAOYSA-N 377.429 2.891 0 40 GFAB COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 15226651 HKUBDKFWKBBYDB-ZDUSSCGKSA-N 397.460 2.993 0 40 GFAB O=C(NCCCNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1cnccn1 4985467 MCVSJUAXUFMXEP-UHFFFAOYSA-N 384.823 2.940 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)Cn2nnc(-c3ccsc3)n2)c1 8000554 SBDBGYFGAODCTH-UHFFFAOYSA-N 384.465 2.522 0 40 GFAB Cc1c(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)oc2ccc(Br)cc12 84067745 NOBNDDYAUJMUDX-ABAIWWIYSA-N 381.270 2.953 0 40 GFAB CN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1N1CCCC1 8779822 JPPFJBCHHQPVTN-UHFFFAOYSA-N 378.476 2.704 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 9883478 BZCOBKMHFZGNHS-YCRPNKLZSA-N 384.480 2.726 0 40 GFAB COC[C@H](C)N1CCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N(C)C)CC1 84640352 RJVOQGMGTOYNBQ-SUMWQHHRSA-N 388.339 2.775 0 40 GFAB O=C(CC(=O)NCC(F)(F)F)NC[C@H](c1cccc(Cl)c1)N1CCCC1 95468209 ZZJSETVJJOTWML-CQSZACIVSA-N 391.821 2.662 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408600884 DBWCSJMRCCJOOB-MRXNPFEDSA-N 390.505 2.973 0 40 GFAB CC(C)Oc1cccc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 22335129 VYHOYQRLNHREEI-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB COc1cccc(CN(C)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 26661192 OOEBARKNGIIORG-UHFFFAOYSA-N 377.400 2.810 0 40 GFAB COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)OCCCO3)C1 36741286 FQQOAKRNTCAAEB-WMZHIEFXSA-N 399.487 2.874 0 40 GFAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(-c2ccco2)on1 38679608 DHBVGTLXMALFQG-CMPLNLGQSA-N 375.406 2.671 0 40 GFAB COc1cccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 39655426 YLYHGQONFTVFNK-LJQANCHMSA-N 395.411 2.742 0 40 GFAB NC[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218535308 SDLAFJXOWAOMLD-IKGGRYGDSA-N 386.300 2.871 0 40 GFAB CC(=O)N1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 39979656 NWZOYXHVXVEUPE-UHFFFAOYSA-N 388.899 2.942 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(OC)c3)n2)cc1 219307800 MTASGWUYQPFSSY-ZDUSSCGKSA-N 383.404 2.838 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 44905079 NJVFJMQCJTUQOQ-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F 222652638 PLVGQJQQSQVMNC-UHFFFAOYSA-N 394.424 2.739 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O 40478548 BQOXNKPJGHJSQQ-UHFFFAOYSA-N 387.386 2.880 0 40 GFAB COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1OC 40284517 AFGFDCUCIUCOSV-UHFFFAOYSA-N 394.427 2.860 0 40 GFAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1ccc(F)cc1 77198017 JPRHERVOBZBFNT-UHFFFAOYSA-N 381.411 2.872 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3)ccc21 224423968 OXWBJKYKZJRAOB-OAHLLOKOSA-N 388.489 2.732 0 40 GFAB COC(=O)c1ccccc1NC(=S)N1CCN(C2CCSCC2)CC1 225217641 LJMZNWNWANDWGC-UHFFFAOYSA-N 379.551 2.683 0 40 GFAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 243981806 SDOMSOMIZXTWAJ-UHFFFAOYSA-N 396.443 2.973 0 40 GFAB CCN1C(=O)C[C@H](C(=O)Nc2nc3cccc(OC)c3s2)[C@H]1c1nccn1C 1615589261 KBKZRXYJRNEHJR-NHYWBVRUSA-N 399.476 2.587 0 40 GFAB Cc1[nH]c2ncnc(N3CCN([C@H]4CCN(Cc5ccccc5)C4)CC3)c2c1C 645242129 NTZJCECLAPBZJV-FQEVSTJZSA-N 390.535 2.971 0 40 GFAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 96025396 NPRJRXMCSUGKEG-QIXNEVBVSA-N 377.487 2.535 0 40 GFAB CCn1cc(-c2noc(CNC(=O)Cc3ccccc3Br)n2)cn1 390831782 UXIZNSALJKDPCN-UHFFFAOYSA-N 390.241 2.574 0 40 GFAB Cc1nc(C)c(C(=O)N2CCc3ncc(-c4cnn(CC5CC5)c4)n3CC2)s1 585111595 XLVBGLRHZLKHQJ-UHFFFAOYSA-N 396.520 2.928 0 40 GFAB CCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172744 DGSUSZFUKKEHLZ-NRFANRHFSA-N 393.531 2.860 0 40 GFAB CS(=O)(=O)Nc1nnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)s1 47293248 OHZKEZNKTMNUAG-UHFFFAOYSA-N 391.478 2.522 0 40 GFAB Cc1nc2cc(-c3nccn3C)nn2c(NCCCNC(=O)c2ccco2)c1C 12087636 BMUNPJPOIKZHFQ-UHFFFAOYSA-N 393.451 2.572 0 40 GFAB COc1cccc(C2(O)CCN(CCNC(=O)c3cc(F)cc(F)c3)CC2)c1 12291049 UAGTWIBNJUSEBJ-UHFFFAOYSA-N 390.430 2.687 0 40 GFAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(OC(F)F)cc1 12774466 JBMLQZWSNJXIRV-NSHDSACASA-N 390.390 2.917 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCN3CCOc3ccccc3F)ncc2C1 19018624 FISBXFHKKZXMGX-LJQANCHMSA-N 384.455 2.736 0 40 GFAB Cc1ccc(CC(=O)NCc2ccc(-c3n[nH]cc3C(=O)N(C)C)cc2)cc1 19210077 QJDBPEFRQPZGHI-UHFFFAOYSA-N 376.460 2.946 0 40 GFAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)c2ccncc2)C[C@@H](C)O1 19497660 OIKJAEJUAXVTEB-IIDMSEBBSA-N 395.507 2.929 0 40 GFAB COc1ccccc1C(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3)c2)CC1 19698278 KCXRHBBBKIXRSE-LJQANCHMSA-N 380.492 2.786 0 40 GFAB CC(=O)N[C@H]1CN(C)C2(CCN(C(=O)c3cc(C4CCCCC4)no3)CC2)C1 19704067 JUGGTZNTBNUENQ-QGZVFWFLSA-N 388.512 2.537 0 40 GFAB Cc1nn(C)c(C)c1CCNC(=O)c1cc(-c2ccnn2C)nc2ccccc12 19716548 DUUFKWORPYRPQI-UHFFFAOYSA-N 388.475 2.958 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 19867644 OQNMQDLVZAHZJL-ILZDJORESA-N 390.549 2.842 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1N1CCCC1=O 19934019 SYWJHVOFFHFGDO-UHFFFAOYSA-N 382.388 2.901 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCCC[C@@H]32)C1 659196425 UPWNJZQGQDAVAE-ATIWLJMLSA-N 378.513 2.763 0 40 GFAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1CN1CCCC1 19654654 DFGWJXBQCPHHRH-SFHVURJKSA-N 381.451 2.957 0 40 GFAB C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1ccc(C(N)=O)cc1 5280031 RVWUXHYGGMWKJE-AWEZNQCLSA-N 377.400 2.760 0 40 GFAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCc3sccc3C2)CC1 10107524 YXIHEEWHQHYNGY-UHFFFAOYSA-N 383.517 2.984 0 40 GFAB Cc1nc(C2CC2)nc(N2CCN(c3ncc(Br)cn3)CC2)c1C 1888843879 SFGQCLABCZLOSN-UHFFFAOYSA-N 389.301 2.850 0 40 GFAB FC(F)(F)c1ccc(N2C[C@@H]3CN(Cc4nnc(C5CC5)o4)C[C@@H]3C2)nc1 1888849900 IWJMHTPVPXPCER-BETUJISGSA-N 379.386 2.929 0 40 GFAB COc1cccc(NC(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1 1888904070 KFSRASQITFAPHO-HZPDHXFCSA-N 393.491 2.882 0 40 GFAB Cc1nc(N2CCOCC2)cc(N2CCN(c3nc4ccccc4s3)CC2)n1 1889199792 AVTGYLRKMHPVSX-UHFFFAOYSA-N 396.520 2.558 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccccc3)ns2)CC1 4167214 USGWPRCSADVDIE-UHFFFAOYSA-N 392.506 2.598 0 40 GFAB Cc1nnc(NC(=O)CSc2nccn2Cc2ccc3c(c2)OCO3)s1 4248838 JEWFINOUVQIMPU-UHFFFAOYSA-N 389.462 2.551 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(Cl)c3)c2=O)cc1 5032874 OONCUUAMQRCWEQ-UHFFFAOYSA-N 394.822 2.578 0 40 GFAB Cc1ccc(N2C[C@H](NC(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C 5187957 GPBFCRHQVSXVEC-MRXNPFEDSA-N 381.432 2.637 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1ccccc1 9828686 POPDNIQXAIBRHS-UHFFFAOYSA-N 387.486 2.803 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)cc1 15881256 DJUZBROJYCKQJY-UHFFFAOYSA-N 393.399 2.670 0 40 GFAB Cn1cc(C(=O)N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)cn1 1775971786 UVYXMFXXXSGLGK-UHFFFAOYSA-N 377.448 2.808 0 40 GFAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1nc(-c2ccc(F)cc2)no1 23126866 ICNIROVAGKAGPO-UHFFFAOYSA-N 392.346 2.876 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)o1 206966558 KXFBTBLEKYFFTG-HNNXBMFYSA-N 383.379 2.771 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3nscc32)cc1Cl 49403874 ORNJBUDTVATBAD-UHFFFAOYSA-N 392.868 2.801 0 40 GFAB COc1ccc2cc(C(=O)N3CCC(Cn4cnc(C)c(C)c4=O)CC3)[nH]c2c1 585629665 BBOSUEAFSKAKDN-UHFFFAOYSA-N 394.475 2.902 0 40 GFAB COC(=O)c1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 4325949 LGDKXCVRWYSBKN-UHFFFAOYSA-N 396.374 2.655 0 40 GFAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(O)cc1 8843359 ITUNBSPMJQDPAN-SFHVURJKSA-N 387.461 2.851 0 40 GFAB O=C(NCc1ccco1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 4807762 WQNWWMNADFCOHN-OQLLNIDSSA-N 380.356 2.689 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 40009537 XPHWLOKQHYFWGE-MRXNPFEDSA-N 389.496 2.688 0 40 GFAB O=C(Cn1ccc2ccc(Br)cc21)NCCCN1CCCC1=O 40268109 JQPDTCRDNUBJHF-UHFFFAOYSA-N 378.270 2.533 0 40 GFAB COc1ccccc1N1C(=O)[C@H]2C(C(C)=O)=NN(c3cccc(Cl)c3)[C@H]2C1=O 100909389 FCJFHNOJWPKEHE-FUHWJXTLSA-N 397.818 2.672 0 40 GFAB COc1ccc(NC(=O)Cn2cnc3c(oc4nc(C)cc(C)c43)c2=O)cc1 32071279 FOOLHSQHJZEJPT-UHFFFAOYSA-N 378.388 2.802 0 40 GFAB COc1ccc(-c2noc(CCC(=O)NCc3nc(C)cs3)n2)cc1OC 21482909 RPJRFHMZQNYLJG-UHFFFAOYSA-N 388.449 2.768 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N[C@@H](C)c1ccccc1 32876637 MINKDSCWSAILED-OYHNWAKOSA-N 377.444 2.863 0 40 GFAB COc1cccc(-c2ccc(=O)n(CCC(=O)NCCc3cccs3)n2)c1 41254136 HVFJQXGQYAXEMN-UHFFFAOYSA-N 383.473 2.729 0 40 GFAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)OCCCn1c(=O)[nH]c2ccccc21 104176371 YYFICRJZFUCBAU-KILAXVPQSA-N 384.476 2.984 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCC[C@H]2CCCC[C@H]21 22803821 PEVHDGBCKAYQGX-IFMALSPDSA-N 397.563 2.920 0 40 GFAB CCN(CC)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C1 42379148 AURZWLDIKJKQAL-HOTGVXAUSA-N 380.558 2.641 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)Cn1nc(C(F)F)c(Br)c1C 2780981 SOBBAYXKXVEKRE-UHFFFAOYSA-N 376.205 2.881 0 40 GFAB COc1cc(CCC(=O)OCC(=O)N2CCc3ccccc32)cc(OC)c1OC 3316961 KYLWVZUGUJOMAL-UHFFFAOYSA-N 399.443 2.778 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(OC)c2OC)c1 3385338 RLQYDZDDCBRDMO-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COc1ccccc1/C=C/C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 3422173 AFUIJLVIIIOJRC-PLWJUESGSA-N 383.400 2.685 0 40 GFAB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1OC 3544714 KJOXQZFJCWHDAS-CYBMUJFWSA-N 385.416 2.847 0 40 GFAB O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 3663415 QTJUSVOQPUNRIP-UHFFFAOYSA-N 380.425 2.735 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4182878 HTLJTAKAIMCJLG-IBGZPJMESA-N 387.501 2.844 0 40 GFAB CCC(=O)Nc1cc(C(=O)OC)ccc1N1CCN(C(=O)c2ccccc2)CC1 4414197 OTMOWAOMNJFBQD-UHFFFAOYSA-N 395.459 2.784 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccccc2)N2NC(SCc3ccccc3)=NC2=N1 4574832 DJGLLUCNVPLNGX-KRWDZBQOSA-N 377.473 2.966 0 40 GFAB CC(=O)N1CCN(C(=O)C2(NC(=O)Nc3ccc(C)cc3)CCCCC2)CC1 4981899 NANCSMIHDBDNIR-UHFFFAOYSA-N 386.496 2.510 0 40 GFAB COc1cccc(OCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1 5075953 QTFAEGAQSRSLMB-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC1CCCC1 5397984 GTQLUEJWDHUWJK-UHFFFAOYSA-N 376.254 2.732 0 40 GFAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2S(C)(=O)=O)cc1 5535591 HMNWPASNGVPKKN-ZDUSSCGKSA-N 376.430 2.917 0 40 GFAB O=C1c2ccccc2C(=O)N1CCn1cnc2sc3c(c2c1=O)CCCC3 6087600 YGCAQJKLMQPUPD-UHFFFAOYSA-N 379.441 2.633 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1F 6129455 DSJATOBHQOBMAE-QGZVFWFLSA-N 398.463 2.815 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 6681078 WYHCRTZJMWWNTJ-UHFFFAOYSA-N 380.476 2.677 0 40 GFAB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 7071273 DJMFALOJMASMCK-QQCYMQAYSA-N 396.241 2.737 0 40 GFAB Cc1cc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c(C)n1Cc1ccco1 7625585 CGUHVGNQJYPTHB-UHFFFAOYSA-N 395.415 2.641 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 8345130 GNHPDPFCCMTGDB-OAHLLOKOSA-N 387.461 2.958 0 40 GFAB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810796 SKOVIZSBBZLXDB-UHFFFAOYSA-N 384.404 2.532 0 40 GFAB CC(=O)Nc1ccc(N/C(C)=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 9244793 RQMAXCODCXMWJS-QGOAFFKASA-N 392.415 2.610 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)Nc2cccc(F)c2)cc1 9690235 JQDWMNYKQMTXHV-UHFFFAOYSA-N 376.453 2.865 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1 10041176 FLGPADITIUMZJH-LLVKDONJSA-N 383.267 2.755 0 40 GFAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc2c(c1)OCCCO2 10959235 MTILPEIRSRDMEN-UHFFFAOYSA-N 399.472 2.571 0 40 GFAB Cc1cccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 10971063 WAKCFYWFZCMJMA-MRXNPFEDSA-N 395.459 2.596 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)ccc3C)C2=O)cc1OC 11590504 NRDCVAZSFFNHMN-QFIPXVFZSA-N 396.443 2.971 0 40 GFAB O=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)NCc1ccco1 11738859 KXEAUXANALFSRL-UHFFFAOYSA-N 386.408 2.870 0 40 GFAB COc1cc(OC)cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2Cl)c1 12149590 REDZQGANAAGZOH-UGSOOPFHSA-N 386.835 2.987 0 40 GFAB CS(=O)(=O)N1Cc2ccccc2O[C@]2(CCCN(Cc3ccccc3)C2)C1 12365386 ICXAKZSFSBNRFR-NRFANRHFSA-N 386.517 2.875 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)cc1 12407280 HCIQCPISOUEFQN-INIZCTEOSA-N 378.388 2.735 0 40 GFAB Cc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccno3)sc2c1 12443824 WITNXAIQWRGCCR-UHFFFAOYSA-N 386.477 2.962 0 40 GFAB Cc1cccc(C(=O)NCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1 12559608 YSOJFUUHQORVLY-IBGZPJMESA-N 380.423 2.503 0 40 GFAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 12804586 DHNAGKPHSADKBF-UHFFFAOYSA-N 380.187 2.959 0 40 GFAB CSc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 13369765 KUGGZXDTDOYROY-RUCLQGLUSA-N 395.477 2.744 0 40 GFAB biogenic COc1ccc(NC(=O)NCCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 14347391 ABPYEAAOHDEBSM-UHFFFAOYSA-N 396.447 2.972 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)c1C 15482963 BKYMBFRZEXBJPO-CYBMUJFWSA-N 395.912 2.894 0 40 GFAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccccc2Cl)CC1 17119427 UIYYJFLFUIPXBU-HNNXBMFYSA-N 375.900 2.780 0 40 GFAB O=C(COc1ccc(F)cc1F)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19293074 GLJSETZCPDXQRP-KRWDZBQOSA-N 388.418 2.533 0 40 GFAB OC1(c2ccccn2)[C@H]2CCC[C@@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 19401113 JDJDYCZHWJXEGX-DETIRCLXSA-N 393.535 2.982 0 40 GFAB O=S(=O)(c1ccccc1)N(Cc1nnnn1-c1ccccc1)c1nccs1 19425089 RNXFNMBVZZXSOP-UHFFFAOYSA-N 398.473 2.514 0 40 GFAB CCN1CCN(c2ncc(-c3cccc(OC)c3)c(-c3nccn3C)n2)CC1 19528254 UWBUPCYBJGTZTR-UHFFFAOYSA-N 378.480 2.695 0 40 GFAB CCOc1ccc(NC(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 19924175 SCBAPPNWMCBAGO-UHFFFAOYSA-N 395.467 2.911 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(OC)c(C)c1 19929721 KUGAFNYWCRLVST-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N3CCOCC3)n2n1 21722639 IZNGAWBNCRNHAF-UHFFFAOYSA-N 382.489 2.964 0 40 GFAB COCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3F)ccc21 22688364 STARZRKUYSJNEH-UHFFFAOYSA-N 378.425 2.552 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2c(F)cccc2F)N2CCN(C)CC2)cc1 22794211 YEMASFNVWFPTJZ-LJQANCHMSA-N 389.446 2.692 0 40 GFAB COc1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1OC(F)F 24076568 WBIKYZMWDXPUIC-ZDUSSCGKSA-N 394.374 2.555 0 40 GFAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2nccs2)CC1 25056134 GYXPXGKEYBZZOV-UHFFFAOYSA-N 378.306 2.961 0 40 GFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCN(Cc2ccccc2)CC1 25134284 JRSFDIAPPFZSRE-UHFFFAOYSA-N 393.409 2.648 0 40 GFAB COc1ccc(-c2noc(CN3CCN(CCc4ccncc4)CC3)n2)cc1 25358574 IHDUUNPSCASOEK-UHFFFAOYSA-N 379.464 2.501 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCn2nc(C(F)(F)F)cc2C)CC1 27969413 QDLIGXXWFLSACY-UHFFFAOYSA-N 396.413 2.958 0 40 GFAB CC(C)c1ccc(OCc2ccc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)o2)cc1 27983873 VBAKCSSNVBOHMB-UHFFFAOYSA-N 397.431 2.632 0 40 GFAB O=C(Nc1ccc(Br)cc1F)[C@H](Cc1ccccc1)n1cnnn1 32074525 NCAOLJXMLZHJGF-HNNXBMFYSA-N 390.216 2.997 0 40 GFAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 32691605 UGKYDFUUXYRJFH-HUUCEWRRSA-N 375.469 2.919 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(S(C)(=O)=O)cc1 33161823 RAYXXHGHXAIGAG-XIKOKIGWSA-N 390.436 2.600 0 40 GFAB COC(=O)c1ccc(OCc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1 36805904 RHCNLFXGWNDHAS-UHFFFAOYSA-N 395.419 2.880 0 40 GFAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(OC)c2)N2NC=NC2=N1 38303298 YELNSVBSSDCGRQ-GOSISDBHSA-N 386.452 2.970 0 40 GFAB CN(Cc1ccco1)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 39642195 BAOLTXUZVBTRFL-UHFFFAOYSA-N 379.412 2.717 0 40 GFAB COc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 40052693 JEUPBXIGAXLAMX-CYBMUJFWSA-N 377.462 2.941 0 40 GFAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1NS(C)(=O)=O 44036633 ASORTFQXMMQUOT-GJZGRUSLSA-N 378.425 2.948 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 44324698 FLWLWBVOXLUTQZ-RISCZKNCSA-N 376.434 2.669 0 40 GFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CN2CCCC2=O)cc1 44779611 UHXZCLJRYNLHNY-UHFFFAOYSA-N 376.416 2.789 0 40 GFAB C[C@@H]1CCCCN1CCCNC(=O)C1CCN(C(=O)c2ccsc2)CC1 48355682 KVFDSAKGIBYHST-MRXNPFEDSA-N 377.554 2.981 0 40 GFAB O=C(Cn1nnc2ccccc2c1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 53513938 LOIHLOAKQMJGSO-UHFFFAOYSA-N 393.834 2.511 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1 54814813 FTSJDUAVCSSAQN-IBGZPJMESA-N 392.459 2.606 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491398 IKWBJAVGIUYCCH-NSHDSACASA-N 391.880 2.782 0 40 GFAB Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H]1COc2ccccc2O1 58175271 VFCANGVEXAYZAF-IBGZPJMESA-N 398.484 2.963 0 40 GFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc2c(c1)OCCCO2 58357828 DHBOFHKHFCGIBO-LJQANCHMSA-N 382.460 2.651 0 40 GFAB CC(C)N1CC[C@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 58407157 IVCQJPHMEWRPQF-CVEARBPZSA-N 380.483 2.821 0 40 GFAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC1CCCCC1 61721550 OGPWJPUSAWLETE-UHFFFAOYSA-N 378.904 2.621 0 40 GFAB CN(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 66739113 YPLZIXQKHQCWCB-UHFFFAOYSA-N 378.947 2.608 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1)c1ccccc1 70656004 QOSDKSDYYZGJDR-FUHWJXTLSA-N 376.464 2.756 0 40 GFAB COc1ccc(-c2cc(C[C@]3(C(=O)O)CCCN(C(=O)C4CC4)C3)on2)cc1 72395043 MCIDRNFJEYJRRT-OAQYLSRUSA-N 384.432 2.996 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 72401991 CYAPCHAICAWBEA-UHFFFAOYSA-N 392.202 2.979 0 40 GFAB COc1cccc(C[C@H](C(=O)N[C@@H]2CCCc3occc32)n2nnnc2C)c1 84297278 SPHMCQPCXBSQLM-QZTJIDSGSA-N 381.436 2.561 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)N(CCCO)Cc3ccncc3)cc2)C[C@@H](C)O1 89936685 BALGIHDLGGYHEJ-KDURUIRLSA-N 397.519 2.716 0 40 GFAB O=C(c1cc2n(n1)CCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 90626721 BUBPOUDXYQHNFJ-UHFFFAOYSA-N 380.370 2.647 0 40 GFAB Cc1cc(C)n(-c2ccc(CN[C@H](C)c3cccc(S(N)(=O)=O)c3)cc2)n1 95469140 DZTVTTHWCRSGOC-MRXNPFEDSA-N 384.505 2.987 0 40 GFAB COC(=O)[C@@H]1C[C@H](N[C@H](C)CCc2ccc(Br)cc2)CCN1C 95943614 QMHPGQIXSXBAOX-XYPHTWIQSA-N 383.330 2.996 0 40 GFAB O=C(c1ccnc(OCc2ccccc2)c1)N1CCCC[C@H]1CN1CCOCC1 95957444 JEMXBZBEQOMWIU-NRFANRHFSA-N 395.503 2.988 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(CC[C@H](C(=O)NCC3CC3)O2)[C@H](C)C1 96261002 GTPWOZMAVANYHE-AKCHCHLHSA-N 376.522 2.983 0 40 GFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(=O)[nH]c4ccccc34)sc2c1 96924932 BKTVDPOTDLNZIV-UHFFFAOYSA-N 399.453 2.794 0 40 GFAB COc1ccccc1[C@H](C1=C(O)COC1=O)c1cc2c(cc1OC(C)=O)OCO2 102955727 GNJCTGNSYOIDRI-IBGZPJMESA-N 398.367 2.850 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)s1 206846967 RVUDAKLCRIXJLI-CQSZACIVSA-N 391.474 2.894 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218481804 OPRHAAALUFSPQH-ZIFCJYIRSA-N 393.892 2.849 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NC2CC2)s1)c1ccc(Cl)cc1Cl 224197624 HXIVQQFTRJQKFA-UHFFFAOYSA-N 393.277 2.538 0 40 GFAB O=C(CNC(=O)OCc1ccccc1)NCc1cccnc1-c1cccnc1 225643293 BGNCWEISQCYJAV-UHFFFAOYSA-N 376.416 2.686 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1ccc(N2CCOCC2)cc1 257210489 BUWIWIQDROTJQO-UHFFFAOYSA-N 394.880 2.604 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)n1 257256858 KNEJYHGVESNYRL-TZIWHRDSSA-N 387.455 2.868 0 40 GFAB CC(C)[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 260899777 PWSMQOKYHYVKGY-HNAYVOBHSA-N 388.489 2.804 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C 408584800 VHPKTWNEYUVZCY-INIZCTEOSA-N 391.489 2.846 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 408705272 AVZSRPPOYXVJKC-UHFFFAOYSA-N 375.450 2.683 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cn(C)c3ccccc3c2=O)CC1 408713029 HCTDHFJNVGOOFT-UHFFFAOYSA-N 377.444 2.510 0 40 GFAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCOCC1 408782838 KAHBJTNZXQFDNH-OAQYLSRUSA-N 382.485 2.933 0 40 GFAB CCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 516069536 UOQDMVXOYREFHR-GFCCVEGCSA-N 375.450 2.797 0 40 GFAB O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccc(O[C@H]2CC2(F)F)cc1 529198775 KTWRLMLDXAOCFH-ARLQARAXSA-N 387.426 2.712 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 585106719 GMPDJDMPKZERML-QPPBQGQZSA-N 392.499 2.861 0 40 GFAB CC(C)CC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 585138521 YDOYMZMXMZHAGJ-UHFFFAOYSA-N 399.495 2.983 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)ccn1 1615118769 DJUKPPSIQITYTF-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nn2)n1 1889186294 IEGMBQYTTSLLEN-UHFFFAOYSA-N 390.495 2.663 0 40 GFAB Cc1nc(C(=O)N2CCCC3(CCN(C)CC3)[C@H]2CNC(=O)C(C)C)cs1 2055793313 NYSOTTGXPMMYNV-QGZVFWFLSA-N 392.569 2.540 0 40 GFAB CO[C@H]1CC[C@@H]([C@H]2OC[C@@H]3[C@H]([C@H]4CC[C@@H](OC)[C@H](OC)C4)OC[C@H]32)C[C@@H]1OC 2061000836 WWYKFTBJMONEJG-XWZDVXJLSA-N 398.540 2.677 0 40 GFAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H](c1cccs1)C(C)C 47519760 CQTYCJTYKLCMNV-SFHVURJKSA-N 399.520 2.953 0 40 GFAB COc1ccc2cnn(CC(=O)N[C@H](C)CCCC(C)C)c(=O)c2c1OC 61719070 IASINCXDCPNNQM-CQSZACIVSA-N 375.469 2.745 0 40 GFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2ccccc2)[nH]n1 12507465 HMUYNCLAPCPNQB-SFHVURJKSA-N 382.489 2.942 0 40 GFAB CN1CCC(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 23449544 HYJDIQXRLYFFGY-UHFFFAOYSA-N 378.476 2.826 0 40 GFAB COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)o2)cc1 23873114 NXHLKUQNSBUJPV-HXUWFJFHSA-N 378.388 2.712 0 40 GFAB Nc1nc(SCC(=O)NC[C@@H]2CCCO2)nc2sc3c(c12)CCCC3 6108972 CQMDELPISWZJIM-JTQLQIEISA-N 378.523 2.540 0 40 GFAB CCN1CCN(c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2C)CC1 12528292 DECOEHHBNIAUGI-OAQYLSRUSA-N 381.476 2.915 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 24726508 FMKFEFOTFKQOQB-RDJZCZTQSA-N 375.469 2.634 0 40 GFAB CCOc1c(Br)cc(Br)cc1CNc1nnnn1C 8253326 MYLXSNCCUYYWDE-UHFFFAOYSA-N 391.067 2.746 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1Cn1nc(-c2cccs2)n(C2CC2)c1=S 25059669 CGATWOBAVKXYPP-CYBMUJFWSA-N 377.539 2.988 0 40 GFAB Cn1c(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Cl)c2ccccc21 56322002 UFDRXYOAWGGLAX-CQSZACIVSA-N 389.883 2.543 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)cc1 57526531 ORIBOWGDSFYRAU-UHFFFAOYSA-N 377.400 2.644 0 40 GFAB COc1ccc(CCC(=O)NC[C@@H](C)N2CCC(C)CC2)c(OC)c1OC 58180164 XRERZPNKCSAHAZ-MRXNPFEDSA-N 378.513 2.882 0 40 GFAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OC)c(OC)c(OC)c2)N1 36025425 COBLTLPBNAVOBY-QFBILLFUSA-N 396.443 2.970 0 40 GFAB biogenic O=C1CCc2cc(S(=O)(=O)N(Cc3ccco3)CC(F)(F)F)ccc2N1 12782653 REZZCXXDJKSBMZ-UHFFFAOYSA-N 388.367 2.918 0 40 GFAB CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCC)C(=O)O)ccc12 2107438 ZHIQLSFZHQGMGB-INIZCTEOSA-N 375.421 2.884 0 40 GFAB biogenic O=C(OCc1cc(Cl)c2c(c1)OCO2)c1cccnc1N1CCOCC1 28448970 PRIGQPYCAWQUKL-UHFFFAOYSA-N 376.796 2.657 0 40 GFAB O=C(CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1 100433668 JBUDETLIPALPHD-IRXDYDNUSA-N 384.505 2.897 0 40 GFAB Cc1ccccc1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11067786 XFOOTRQTNRQAKW-INIZCTEOSA-N 394.475 2.629 0 40 GFAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 48354840 DTSAGQJJDRURNB-KXBFYZLASA-N 398.956 2.740 0 40 GFAB Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36619405 MQUFLKUKNKXVND-ZDUSSCGKSA-N 393.426 2.562 0 40 GFAB Cn1c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1C(F)(F)F 2652327 JSSBGUIEPZLVTG-UHFFFAOYSA-N 399.398 2.690 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 10364760 XYFVWFIUCYXPRO-GFCCVEGCSA-N 388.917 2.952 0 40 GFAB CCCCCn1c(SCC(N)=O)nc2ccc(Br)cc2c1=O 3444383 CWWSMERVFPGZDF-UHFFFAOYSA-N 384.299 2.927 0 40 GFAB C[C@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N1CCc2ccccc21 12939132 ASWWYIMEFCNLTA-LRDDRELGSA-N 382.391 2.773 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)c1 13258978 DVQLCTTWGQXACS-OAHLLOKOSA-N 381.837 2.689 0 40 GFAB CCS(=O)(=O)CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96001339 KXWUVOVEQWRRHY-OAHLLOKOSA-N 377.466 2.615 0 40 GFAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 4250673 BDPWLMNSUNLNDM-LBPRGKRZSA-N 383.379 2.565 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)cc1 6138399 CPTAMMCKWFNNPD-CYBMUJFWSA-N 383.477 2.683 0 40 GFAB CC[C@H](C(=O)NCc1cccc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 113950126 DHOCCGJDSFIOJV-GOSISDBHSA-N 378.469 2.995 0 40 GFAB Cc1ccc(CNC(=O)CCNC(=O)N2CCn3c2nc2ccccc23)cc1 5488550 ZNMYYMZZUNRKFD-UHFFFAOYSA-N 377.448 2.581 0 40 GFAB CCOC(=O)C1=C(CSc2nnc(SCC)s2)NC(=O)N[C@@H]1CC 5450515 UAEHGOBTATXPTC-MRVPVSSYSA-N 388.540 2.651 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cnc(C)cn1)c1ccc(Br)cc1 14395225 SBDWYFDFPRQRPT-CYBMUJFWSA-N 378.226 2.582 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1C 6552799 NCXZVFNFTUKUJM-QFIPXVFZSA-N 395.503 2.742 0 40 GFAB CCOC(=O)C1CCN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC1 5517892 IKMZWYMEBIQPLU-UHFFFAOYSA-N 377.481 2.548 0 40 GFAB Cc1c(C)c2cc(Cl)c(OCC(=O)NCCCn3ccnc3)cc2oc1=O 6658630 YSRSKJOKTFUCAP-UHFFFAOYSA-N 389.839 2.845 0 40 GFAB C[C@@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@@H](C)O1 66482653 IWDHBSVWICPOAG-LMMKCTJWSA-N 393.487 2.534 0 40 GFAB CCOc1cccc(C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)c1 6810354 BCHRXSDNXKWCPE-MRXNPFEDSA-N 377.462 2.816 0 40 GFAB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1ccc2c(c1)OCO2 15271603 BOUFFTHJXLGYDY-UHFFFAOYSA-N 399.491 2.690 0 40 GFAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)no1 4942479 AIGBWTJEPCLAER-OAHLLOKOSA-N 393.399 2.671 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 97379436 UTZUYKYIIUEWHI-QUZONKQVSA-N 390.427 2.695 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C)n1C1CC1)CC2 7533672 ZHGWMXVBBUQGGW-UHFFFAOYSA-N 388.493 2.616 0 40 GFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 8724387 UYQPOQSTUJSVOV-HXUWFJFHSA-N 394.362 2.606 0 40 GFAB CCSCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc1 89275279 PXLOXEVTIFFXRA-SFHVURJKSA-N 379.570 2.762 0 40 GFAB COc1ccc([C@@H]2Nc3ccccc3-c3c(O)nc(SC)n[n+]32)c(OC)c1 27233019 YTTFWQITQHHNPH-QGZVFWFLSA-O 383.453 2.848 0 40 GFAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 30584548 VIIUMVHIIDBLMW-UHFFFAOYSA-N 376.372 2.638 0 40 GFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 35374953 HLJFSDOUDBCMRB-ANRHTMQCSA-N 389.883 2.515 0 40 GFAB Cc1ccn(S(=O)(=O)c2ccc(Br)cc2Br)n1 31800812 KWTQMKKSKVTCLQ-UHFFFAOYSA-N 380.061 2.954 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cc1ccccn1)c1ccccc1O2 72327750 FKJCBGVNKKOINO-XMSQKQJNSA-N 379.460 2.645 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1noc2ccccc12 39984298 FJWYOVGWWBOIOI-UHFFFAOYSA-N 395.415 2.629 0 40 GFAB COc1cccc(-c2c3c(=O)n(Cc4cccnc4)ccc3nc3nc(C)nn23)c1 40398517 ZOVKUYRFTJUWHF-UHFFFAOYSA-N 398.426 2.867 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 41339049 AAOYSPCPZHBKGG-UHFFFAOYSA-N 392.415 2.802 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220466659 VXBJYSDKCFXKKS-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB CC[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 224760316 SBHKKPDDTCGEGV-GOSISDBHSA-N 376.478 2.729 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c(OC)n1 572211114 JFYJQMSBCNULDB-AWEZNQCLSA-N 375.856 2.895 0 40 GFAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(Cc4ccc(C)s4)C3)C2)nn1 96240542 WTKUHAUXRWMBPI-YLJYHZDGSA-N 388.537 2.875 0 40 GFAB O=C(c1ccccc1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143018 HHUADBHTBUXXAH-OAQYLSRUSA-N 382.485 2.842 0 40 GFAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4cccc(F)c4)C[C@@H]32)C(=O)N1CC1CC1 96261470 KXFRFGBVBYDYRC-ZWCUEREDSA-N 398.482 2.787 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)nc1C 95472450 KAHJNRMMTSPPSN-UHFFFAOYSA-N 388.453 2.621 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227365 JQOXMEUSFHSOFP-KNQAVFIVSA-N 396.466 2.801 0 40 GFAB CC[C@@H](CO)N1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)CC1 612677768 CQNJZNWHURTDGF-IBGZPJMESA-N 392.503 2.863 0 40 GFAB C[C@@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)c2ccoc2)CC1 1616031612 OWOPRISTHLQBSA-GOSISDBHSA-N 393.281 2.708 0 40 GFAB O=S(=O)(CCOc1ccccc1)NCC1(c2cccs2)CCOCC1 96025718 LMWCSIFEDLUSML-UHFFFAOYSA-N 381.519 2.795 0 40 GFAB COc1nc(CNC(=O)c2cc(Cl)sc2Cl)nc(N2CCCC2)n1 575603258 BOAGINBJTVVDBX-UHFFFAOYSA-N 388.280 2.779 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095991 WVTFUTLSQDMOEC-QGZVFWFLSA-N 393.447 2.506 0 40 GFAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(C(=O)Cn3ccnc3C)CC2)c1 585270953 CSXZBHQHYRPYEX-HXUWFJFHSA-N 391.899 2.976 0 40 GFAB O=C(CCc1cccnc1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615154302 FSIYLOTXLOCPBM-QFIPXVFZSA-N 397.450 2.578 0 40 GFAB COc1ccccc1[C@@]1(O)CCCN(C(=O)COc2ncnc3ccccc23)C1 12290434 QAEZLPVQHNCVHN-JOCHJYFZSA-N 393.443 2.527 0 40 GFAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NCc3ccco3)nc2-c2ccco2)on1 13226176 TXWICFOFBCGXJI-CYBMUJFWSA-N 394.387 2.937 0 40 GFAB O=C1C[C@H]2C(=O)N(c3ccccc3)C=Nc3nc(N4CCCCC4)nc(c32)N1 13637601 DCIWGRGLAWNFGX-CQSZACIVSA-N 376.420 2.599 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccccc1I 16450270 ALWHPSLTCNMERY-DJBIQUGXSA-N 379.197 2.993 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3)ncc2C1 19018225 SBVBSTYSVVDOEN-HXUWFJFHSA-N 378.476 2.678 0 40 GFAB Cc1ccc([C@H](C)C(=O)NCCn2nc([C@@H]3CCNC3)c3cccnc32)cc1 19136360 ATGDIECVLGBIHI-FUHWJXTLSA-N 377.492 2.737 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(C)cc3)ncc2C1 19209772 HDGDITLGHBIBRW-NRFANRHFSA-N 392.503 2.986 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCc2nc([C@H]3CCCN3)ncc2C1 19336683 QIDBSOATDLKXAA-QGZVFWFLSA-N 393.422 2.894 0 40 GFAB CCOc1ccccc1CN1CCc2c(O)nc(N3C[C@H](C)O[C@@H](C)C3)nc2C1 19520195 MJHDEYIQPSSNJW-HOTGVXAUSA-N 398.507 2.753 0 40 GFAB Cc1nc(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)sc1-c1ccncn1 19560722 UZEZBCZTWHSWTB-UHFFFAOYSA-N 381.461 2.617 0 40 GFAB Cc1ncsc1C(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C 19562299 KIWJQTNDDKBBIK-UHFFFAOYSA-N 387.484 2.946 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1 19572987 MNFAPVAXLSVACZ-KRWDZBQOSA-N 396.539 2.635 0 40 GFAB COCCOc1cccc(CN2CC[C@H](c3nnc(-c4cnccn4)o3)C2)c1 19593781 WWVOHEWPHSGFPZ-INIZCTEOSA-N 381.436 2.541 0 40 GFAB CNc1nc(C2CCN(C(=O)CC3CCCC3)CC2)nc2c1CCN(C(C)=O)C2 19710940 RCIIEFIYRUVYJU-UHFFFAOYSA-N 399.539 2.709 0 40 GFAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCCC2=O)cc1 18104724 DXZLJJGYBDTZCL-UHFFFAOYSA-N 387.386 2.850 0 40 GFAB CN(CC(=O)N1CCOCC1)c1ncnc2scc(-c3ccc(F)cc3)c12 6787829 XKADBYHWOBSAKC-UHFFFAOYSA-N 386.452 2.792 0 40 GFAB Cc1nc(C2CCOCC2)cc(N2CCN(c3ncnc4ccccc34)CC2)n1 1888913283 ZCDQCJMGSOQRTH-UHFFFAOYSA-N 390.491 2.949 0 40 GFAB Cc1nc(C2CC2)nc(OCC2CCN(c3ncnc4n[nH]cc34)CC2)c1C 1888914723 HZPJNGHUZSYCPN-UHFFFAOYSA-N 379.468 2.933 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)CCN2CCC(C(=O)N3CCCCC3)CC2)c1 15297651 WBVQIADNOHHWCJ-UHFFFAOYSA-N 392.565 2.802 0 40 GFAB Cc1cccnc1C(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037988610 AJGLSVJRIOECPI-UHFFFAOYSA-N 378.476 2.539 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541648 KSNXSKXBNFCESO-UTKZUKDTSA-N 384.501 2.994 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1 4264235 RTXBHDJXUFHIMM-UHFFFAOYSA-N 379.438 2.938 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1Cl 4940798 UJEIOJZWJRUAAM-LLVKDONJSA-N 378.837 2.820 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2cc(C)ccc2OC)n(C)c1=O 5252022 ADLQJCJRLVFAOH-UHFFFAOYSA-N 397.479 2.556 0 40 GFAB O=C(COc1ccccc1F)NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 9100503 PQGADZCSAHLQRW-AWEZNQCLSA-N 378.787 3.000 0 40 GFAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(Cl)s1 9660993 SLXLBURZDGBTJO-UHFFFAOYSA-N 395.893 2.604 0 40 GFAB COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=S)cc(OC)c1 20132047 YAJWRQWSBNVJHM-QOCHGBHMSA-N 385.445 2.512 0 40 GFAB CCc1nc2sc([C@H](c3ccccc3F)N3CCN(CC)CC3)c(O)n2n1 22578040 TXWGVCINJJPITK-INIZCTEOSA-N 389.500 2.925 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)n1nc(C)cc1C 585148091 RZEXWRUEFOSFHV-KRWDZBQOSA-N 398.488 2.914 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc(F)ccc21 100877929 SAQCAHFLDAUXMJ-NMWGTECJSA-N 396.403 2.699 0 40 GFAB O=C1C[C@H](N2CCC(O)CC2)C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 215705567 VUVUFHZJUFULAS-SFHVURJKSA-N 391.427 2.583 0 40 GFAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247854191 SQAJLAVFEKAKKH-MKXGPGLRSA-N 392.386 2.514 0 40 GFAB CC(=O)NC1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 50990306 RFCWZBYFYTYGQE-NRFANRHFSA-N 375.488 2.774 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cc3cc(OC)ccc3n2C)cc1 20716246 QVZQGAKONOWSKO-AWEZNQCLSA-N 395.459 2.630 0 40 GFAB C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 32654894 OCNVLSUFQPWFFN-ZDUSSCGKSA-N 384.867 2.886 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 32911725 FLEKLXNTWXRWNR-OAQYLSRUSA-N 397.450 2.814 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1(c2ccccc2)CCOCC1 42022942 JKIVSJQGHZZRBA-JOCHJYFZSA-N 394.515 2.752 0 40 GFAB CCOC(=O)c1cnn(-c2nnc(C)c3c(C)n(-c4ccccc4F)nc23)c1N 1016767 OKNJTFQGVXJHLX-UHFFFAOYSA-N 395.398 2.516 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)no1 1447105 JSSYJHRYAFLRHW-AWEZNQCLSA-N 384.845 2.569 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 24088042 DHJMSXXALHSMCJ-HNNXBMFYSA-N 395.459 2.946 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cnccn1 1105429 PRFJNNSVXBMTJG-UHFFFAOYSA-N 376.392 2.764 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 24575930 LAHHENYNHXABIT-MRXNPFEDSA-N 378.350 2.788 0 40 GFAB COc1cc2cc3c(N)c(C(=O)NC[C@@H]4CCCO4)sc3nc2cc1OC 4848870 MXMMJMNTXHRKFJ-NSHDSACASA-N 387.461 2.958 0 40 GFAB Cn1cnc2c1c(=O)n(CCCSCc1ccc(F)cc1Cl)c(=O)n2C 12535566 OHHXUWCZBDGVBT-UHFFFAOYSA-N 396.875 2.550 0 40 GFAB COC(=O)c1cc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)oc1C 12549478 IUNBJMFZXGCYMV-CMDGGOBGSA-N 383.448 2.778 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCCCc2nc3ccccc3[nH]2)c1C 12549927 OOOIWPQFQRRKOK-UHFFFAOYSA-N 387.461 2.789 0 40 GFAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(OC(F)F)c1 47906902 AYCKPCLMUJSXAP-UHFFFAOYSA-N 396.394 2.664 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 8492832 UMYPDZRJMNLRNY-UHFFFAOYSA-N 376.331 2.648 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2F)s1 25364164 RGTJNVQTJITJIY-HNNXBMFYSA-N 382.482 2.665 0 40 GFAB C[C@@H](NC(=O)CN1CCN(c2ccc(Cl)cn2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 107135475 OWCQTXBTVCPTAM-CVYDXHPNSA-N 376.932 2.798 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 8890508 GVEDADVFJKADPK-OAQYLSRUSA-N 397.862 2.692 0 40 GFAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1F 20013241 MKPNXCUTLCMVAZ-UHFFFAOYSA-N 386.395 2.547 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 1913225 KBWYHHLDQDZPQG-YRNVUSSQSA-N 399.443 2.628 0 40 GFAB CCOC(=O)c1cc2cc(NC(=O)NC[C@@H]3CCS(=O)(=O)C3)ccc2s1 58159798 LAYIBGMQDAMJJD-NSHDSACASA-N 396.490 2.634 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 44840374 GERKVBGXCFBSLH-AWEZNQCLSA-N 383.423 2.590 0 40 GFAB CC(C)Cc1nnc(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)s1 58222961 ODEWYBQZFMNRDJ-UHFFFAOYSA-N 385.449 2.760 0 40 GFAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)[C@H]1COc2ccccc2O1 3385660 BAOAJVYUMCNINB-MRXNPFEDSA-N 394.408 2.792 0 40 GFAB COc1ccc(OC)c(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[nH]2)c1 27829148 RQFAPGPRQNLSHX-INIZCTEOSA-N 381.436 2.799 0 40 GFAB CCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2157842 BTCASKWFHPAYAI-IUODEOHRSA-N 387.432 2.727 0 40 GFAB biogenic COCC(=O)N1CCCc2ccc(NC(=O)NCCc3ccc(OC)cc3)cc21 22503021 IJKGGJWZUVWKCG-UHFFFAOYSA-N 397.475 2.985 0 40 GFAB Cc1ccc(Cn2ccn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2=O)cc1 20488636 HSOVNQWEGRGQCX-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1OC 2396778 CFEUMTFGRZMLQV-UHFFFAOYSA-N 385.449 2.625 0 40 GFAB CCNC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 12822071 XZSDOFZOBKEEOB-IUCAKERBSA-N 377.666 2.511 0 40 GFAB NC(=O)c1csc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c1 97108899 VYEYRPLTKYPHCC-LBPRGKRZSA-N 395.366 2.503 0 40 GFAB CC(C)c1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 12987027 SCLONXHHGNMJEX-CYBMUJFWSA-N 381.885 2.566 0 40 GFAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)c1nc(N)nc(N(C)C)n1 9057981 IDKBWGZYGNSBQP-SNVBAGLBSA-N 388.526 2.837 0 40 GFAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1c(C)noc1C 13059056 NFIUCWSSNMGCOQ-UHFFFAOYSA-N 390.465 2.519 0 40 GFAB Cc1nc2ncnn2c(O)c1CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 13688022 KYHSOWGOPMJXES-UHFFFAOYSA-N 398.854 2.565 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 6084162 CUDFNCKDBSXOQQ-BSXFFOKHSA-N 378.469 2.518 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 4385158 HVDNRHHWPBWTSS-OAHLLOKOSA-N 382.416 2.864 0 40 GFAB Cc1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1C 14240354 CZTRFJWTMKRPJL-LJQANCHMSA-N 385.895 2.941 0 40 GFAB C[C@@H](NC(=O)CCNC(=O)N1CCn2c1nc1ccccc12)c1ccccc1 5487425 OZYJCAUCWVJOPQ-OAHLLOKOSA-N 377.448 2.833 0 40 GFAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccco1 4695906 SINWQPOUYQLRFQ-UHFFFAOYSA-N 398.484 2.829 0 40 GFAB CS(=O)(=O)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 4723816 NPNPYKSINMCMTK-UHFFFAOYSA-N 393.419 2.588 0 40 GFAB CCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(Cl)cc1 6784964 LJECOURKPQFSHJ-UHFFFAOYSA-N 375.856 2.912 0 40 GFAB O=c1[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1C1CCCCCC1 9357718 QXUGYLTZZLUJHX-IBGZPJMESA-N 394.475 2.854 0 40 GFAB biogenic CS(=O)(=O)c1nc(C(=O)NCCc2cccc3ccccc23)c2ccccn12 67292329 IXLPJDIDGXTTIS-UHFFFAOYSA-N 393.468 2.864 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)O[C@@H](C(=O)NC1CC1)c1ccccc1 7226023 NEKVLJPPVZXWSW-LJQANCHMSA-N 380.400 2.548 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1 7312710 FRFLRNOSSFOYSV-MRXNPFEDSA-N 394.880 2.746 0 40 GFAB CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16046684 UOBAMJCZWHHOAW-DNVCBOLYSA-N 398.507 2.962 0 40 GFAB O=C1C(=O)N(CC(=O)N2CCCc3ccccc32)C(=O)N1CCC1=CCCCC1 8132440 XHLCKUJAKKLPCG-UHFFFAOYSA-N 395.459 2.647 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3cccnc3)C[C@@H]21 306129080 HTYSEFLFGYCLCU-CTNGQTDRSA-N 377.469 2.899 0 40 GFAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc2n1 8283036 AQCLXUZUYCHANJ-CYBMUJFWSA-N 377.404 2.959 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c1 408648591 ZLEVIWGFQABNRR-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cc4ccc(Cl)cc4)c(=O)c3c2=O)n1 18063679 KCRSBDCWGKCRRB-UHFFFAOYSA-N 395.850 2.967 0 40 GFAB O=C(COc1ccccc1Br)NCCc1ccc2c(c1)OCCO2 8748454 JCZQEOBDFCLESD-UHFFFAOYSA-N 392.249 2.958 0 40 GFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 89919957 MPKBVGFPVAUORT-BTYIYWSLSA-N 380.444 2.654 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 32307271 VGKHYBSNHUJMGF-UHFFFAOYSA-N 389.459 2.610 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2F)cn1 72377188 VOFPAYDMFCZPEZ-KRWDZBQOSA-N 380.427 2.966 0 40 GFAB CCc1ccc([C@@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)N(C)C)cc1 32733365 ITHUSWYOIXEERF-HXUWFJFHSA-N 394.523 2.655 0 40 GFAB COc1ccc(OC)c(C(=O)CSc2nnnn2-c2ccc(C(C)=O)cc2)c1 35289060 VMXAJJJMLFLEFJ-UHFFFAOYSA-N 398.444 2.857 0 40 GFAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 224588921 COYLDRMFJFYSIP-NSHDSACASA-N 382.511 2.871 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)c(C)cc21 223357361 CLFWRFJIYYEZSJ-UHFFFAOYSA-N 389.433 2.682 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)ccc1C 223487092 RMWKLFRXHFOGSM-ZDUSSCGKSA-N 393.461 2.838 0 40 GFAB CCOc1ccccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 223650215 UUIDNMREQWCOIS-MRXNPFEDSA-N 390.505 2.771 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 44904122 DPBCFYLJWCKQLF-KRWDZBQOSA-N 382.432 2.826 0 40 GFAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225547092 MRBZNLLHYCBLQL-UHFFFAOYSA-N 382.511 2.734 0 40 GFAB Cc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(S(C)(=O)=O)cc1)COC3 96112833 KEEFAZCIOULYPR-INIZCTEOSA-N 385.489 2.609 0 40 GFAB biogenic,in-vitro Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCc1nnc2ccccn12 95477285 RBNWVGKOWWGCOW-UHFFFAOYSA-N 394.866 2.983 0 40 GFAB C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1)[C@@H]1C[C@H]2CC[C@H]1C2 245237845 ZARGVBGIFOXWHK-ZKTHPVAPSA-N 390.524 2.909 0 40 GFAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584822477 ZWRWARCKZSWKEL-DDHJSBNISA-N 392.246 2.991 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@](C)(C(=O)N(C)CCCc2ccccc2)C1 257332281 XWNTXMRTUPXEQL-QFIPXVFZSA-N 398.507 2.640 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)Cn3ccnc3)CC2)ncn1 257226826 FMIXUQJHTCVJFT-QGZVFWFLSA-N 394.479 2.816 0 40 GFAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](c3cc(CCO)[nH]n3)C2)o1 257309072 TZKDMKVJULPMBX-CQSZACIVSA-N 381.432 2.892 0 40 GFAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)CN3CCCC3)CC2)C1 257287751 PRJFFOUREWAOQQ-LJQANCHMSA-N 375.488 2.508 0 40 GFAB Nc1nc(N)nc(NCCCCOc2ccc(OCc3ccccc3)cc2)n1 1642036788 XLNIUZAPBNLKRW-UHFFFAOYSA-N 380.452 2.886 0 40 GFAB Cn1c(C(F)(F)F)nn(CCNC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O 90590935 XHTDYCBFTIKHCA-UHFFFAOYSA-N 385.390 2.720 0 40 GFAB O=C(Nc1ccc2c(c1)OCCNC2)c1ccc2c(c1)nc(O)n2CC1CC1 1122172137 RPMWCJSYRKGSTD-UHFFFAOYSA-N 378.432 2.886 0 40 GFAB COc1ccc(CNC(=O)N2CCC(C)(C)CC(C)(C)C2)cc1S(N)(=O)=O 664912225 IHYVVTYODMAJBS-UHFFFAOYSA-N 397.541 2.700 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4ccccn4)CC3)CC2=O)cc1 96024676 LBMAAQDMMHMAQZ-INIZCTEOSA-N 395.459 2.513 0 40 GFAB CC(C)c1ccc(-c2csc(N3C(=S)N[C@H]4CS(=O)(=O)C[C@H]43)n2)cc1 575426184 OBNZQCGGUSBYNS-LSDHHAIUSA-N 393.559 2.794 0 40 GFAB CCOCCOc1ccc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 585270291 SWNOMQMBBSDXHO-FQEVSTJZSA-N 398.494 2.770 0 40 GFAB CO[C@@H](C)c1nc(CNc2ncnc3ccc(S(C)(=O)=O)cc23)cs1 683392236 XIPOCOMCTPVQHW-JTQLQIEISA-N 378.479 2.809 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)CSc2nnnn2CC(C)C)c1 29533004 UXUGXVQLIFTGRB-UHFFFAOYSA-N 379.486 2.857 0 40 GFAB O=C([C@@H]1CCc2cncn2C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 579870793 HPNZCHHIUOIMRR-QGZVFWFLSA-N 376.464 2.637 0 40 GFAB COc1ccc2cnc(C3CCN(CC(=O)[C@H]4CC(=O)N(C)C4)CC3)cc2c1C 12188136 VGTSHYIGOJPVHS-SFHVURJKSA-N 395.503 2.779 0 40 GFAB O=C(CCn1c(-c2ccc(F)cc2)cc2cccnc21)NC[C@H]1COCCO1 12327436 AZJIKCHENSCZAE-SFHVURJKSA-N 383.423 2.764 0 40 GFAB COc1ccc(CN2[C@H]3CCC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cc1 12366385 LRIKOAGUWQTDBS-QIDMFYOTSA-N 383.492 2.509 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1OC 14162352 JBQVQMBOZQNDNE-MRXNPFEDSA-N 392.411 2.794 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 17077698 SADXRQSTDFMPBK-OAHLLOKOSA-N 380.375 2.925 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nc2c(s1)CCCCCC2 19014967 LKYJHMORMDLREP-UHFFFAOYSA-N 390.509 2.995 0 40 GFAB COc1ccc(OC)c([C@@H](O)CN2CCCN(Cc3cccc(C)n3)CC2)c1 19236282 LYEKSAWWBONZQX-NRFANRHFSA-N 385.508 2.649 0 40 GFAB Cc1ccc(OCCN(C)C)c(NC(=O)c2cnc3sc(C)cn3c2=O)c1 19717149 MWJYMBSXMPUTQR-UHFFFAOYSA-N 386.477 2.566 0 40 GFAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 19741377 FQRGRLGTXXGBHF-INIZCTEOSA-N 394.541 2.597 0 40 GFAB C[C@H](NC(=O)N1CCC(N2CCNC2=O)CC1)c1ncc(-c2ccccc2)o1 154535585 ANXIHJALUBBHBF-AWEZNQCLSA-N 383.452 2.602 0 40 GFAB O=C(NCc1ccnc(N2CCCC2)c1)c1cccnc1O[C@@H]1CCSC1 244969015 GUBPGFZJYSAQMC-MRXNPFEDSA-N 384.505 2.891 0 40 GFAB COc1ccccc1Nc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1 6650511 ASBSTRZTWLNKQD-NSHDSACASA-N 381.483 2.602 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4cc(C5CC5)ncn4)CC3)nc(C)n2)n1 1888906421 NMTSUHRJFMYERP-UHFFFAOYSA-N 390.495 2.582 0 40 GFAB CCc1c(C(=O)Nc2cccc(OCC(N)=O)c2)cnn1-c1ccc(C)cc1 24434571 BDGXQPUHFJHWCS-UHFFFAOYSA-N 378.432 2.860 0 40 GFAB O=C(N=c1cc[nH]cc1)c1nc2c(s1)CCN(CCc1ccccc1)CC2 1201597932 DKRBEBWPBIXIMF-UHFFFAOYSA-N 378.501 2.856 0 40 GFAB Nc1nc(SCC(=O)c2ccccc2)[nH]c(=O)c1NC(=O)c1ccccc1F 4248895 XMLBZXLWDLXTIM-UHFFFAOYSA-N 398.419 2.719 0 40 GFAB CC(C)c1ccc(NC(=O)Cn2ccn(-c3cccc(F)c3)c(=O)c2=O)cc1 4570019 YVGIULADRRUIAZ-UHFFFAOYSA-N 381.407 2.900 0 40 GFAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 5075426 AUDORDUNMPPMHG-UHFFFAOYSA-N 386.882 2.681 0 40 GFAB COc1ccc(-c2cnc([S@@](=O)CC(=O)NCc3ccccc3)n2C)cc1 9828762 PZECVFWRBRAJPD-HHHXNRCGSA-N 383.473 2.520 0 40 GFAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)n1 15881327 CYMDJLBBTSTBPZ-UHFFFAOYSA-N 388.225 3.000 0 40 GFAB O=C(Cn1cnc2ccccc21)NC[C@@H]1CCCN1c1nc2ccccc2o1 206774620 CUUZOAXIEWTKPY-HNNXBMFYSA-N 375.432 2.963 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1 38597449 HNLICSJSMWRZGD-LJQANCHMSA-N 395.438 2.502 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@H](c1ccsc1)N1CCC1 225594769 VWLQQZWSYZJLQV-INIZCTEOSA-N 382.555 2.868 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)C[C@@H]1Cc2ccccc2CO1 225791572 PKBPGQYXWHALDX-SFHVURJKSA-N 377.510 2.843 0 40 GFAB O=C(NCc1cncc(N2CCCC2=O)c1)c1cc(-c2ccc(F)cc2)[nH]n1 606440796 RWMFCHWEGJQEKM-UHFFFAOYSA-N 379.395 2.668 0 40 GFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](OC)c2ccccc2Cl)cc1 206854924 HKVNKSWTJOJJOF-MRXNPFEDSA-N 390.823 2.569 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2ccccn2)CC1 11856610 SZVMRBOXIKZKKD-UHFFFAOYSA-N 391.427 2.576 0 40 GFAB CN(CC(=O)N1CCCC1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 32272308 HKRQLNFSGOYRPU-UHFFFAOYSA-N 391.269 2.534 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)c(Br)s1 30288153 TXTFAHCVCBTBFQ-QMMMGPOBSA-N 382.301 2.718 0 40 GFAB O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 30674688 MABMJBUVQOQDKF-ONGXEEELSA-N 384.276 2.659 0 40 GFAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCCN2CCOCC2)n1 20385663 NDACVTAXRKJWPS-UHFFFAOYSA-N 390.505 2.551 0 40 GFAB Cc1c(C)n(CCCN2CCOCC2)c2ncnc(NCc3ccccn3)c12 20646474 RMQCFETVXDSTJJ-UHFFFAOYSA-N 380.496 2.778 0 40 GFAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCO[C@H](c2ccccc2)C1 101373484 AOOUBHCNFCNEHQ-FQEVSTJZSA-N 384.476 2.905 0 40 GFAB COc1ccc(CN(C)C(=O)CCc2nc(-c3ccccn3)no2)c(OC)c1 32681287 XMTBNWNINBPDJQ-UHFFFAOYSA-N 382.420 2.740 0 40 GFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 102129051 FNVWNVGXEGGXJE-KKUMJFAQSA-N 375.494 2.922 0 40 GFAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cccnc1N1CCOCC1 32882509 RKZMQPYZPMJMKH-UHFFFAOYSA-N 389.459 2.845 0 40 GFAB COc1cc(C)c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1OC 32808637 TUMXPPKMYKWUOV-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB C[C@@H]1CCc2sc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)cc2C1 32891506 NQEATEGCMVEISV-OAHLLOKOSA-N 384.549 2.950 0 40 GFAB CSc1nnc(CCCNC(=O)CCN2CCSC2=O)n1C1CCCC1 52615719 LUYKKDHISUNMBD-UHFFFAOYSA-N 397.570 2.723 0 40 GFAB Cc1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1NC(=O)c1ccco1 32987926 NZNYRQAYEABJBO-GOSISDBHSA-N 397.475 2.777 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(C)n2C[C@H]2CCCO2)cc1 887425 CVDABLHLBXHXNX-MRXNPFEDSA-N 376.482 2.895 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 2414640 ABSDWWCFPPYKEF-JTQLQIEISA-N 385.417 2.768 0 40 GFAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S@@](=O)C3)cc1 2456765 HJKVKSDIJFPWIT-NDEPHWFRSA-N 395.440 2.924 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(Cl)cc1 2621791 DLDGGJQMAPGNSW-UHFFFAOYSA-N 377.872 2.991 0 40 GFAB Cc1nn([C@H](C)C(=O)N[C@H](Cn2cccn2)C(C)(C)C)cc1Br 2780763 SMHUGPANYKHYSI-TZMCWYRMSA-N 382.306 2.943 0 40 GFAB CCOc1ccccc1Nc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1 3357308 IQIRLDWHUQMLMG-LBPRGKRZSA-N 395.510 2.992 0 40 GFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NCc1ccc(F)cc1 3365520 PKMYRYRHFFWNPT-UHFFFAOYSA-N 378.425 2.936 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc3c(c2)OCCO3)n1 3459824 HWAPWPGRQLYGQN-UHFFFAOYSA-N 393.403 2.634 0 40 GFAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237116 MCUCCIPNXPNTRZ-GOEBONIOSA-N 385.895 2.676 0 40 GFAB biogenic,in-vitro CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)=O)C1=O 4305814 SMMOTILOEHSQJI-OAQYLSRUSA-N 379.416 2.685 0 40 GFAB Cc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(O)c1 4580189 GXVCJCPOZXBDIE-UHFFFAOYSA-N 390.823 2.608 0 40 GFAB COc1ccc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 5216834 TYGFJELPZZHCLB-GFCCVEGCSA-N 387.388 2.659 0 40 GFAB Cn1c(Cc2cccs2)nnc1SCc1cc(=O)n2ccsc2n1 5579389 YCMRXHIQQORZEX-UHFFFAOYSA-N 375.504 2.829 0 40 GFAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 7387143 LQOUIBCEQUDGMF-UHFFFAOYSA-N 390.553 2.994 0 40 GFAB COc1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 8199230 XJPGQZZSFMUPCK-UHFFFAOYSA-N 384.476 2.994 0 40 GFAB O=C(CSc1ncnc2nc[nH]c12)NCCc1c[nH]c2ccc(Cl)cc12 9421089 IBIVTGWZUUFXLZ-UHFFFAOYSA-N 386.868 2.939 0 40 GFAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C)cc3)c2=O)cc1 9660607 MFOFMJYEBDOTNK-UHFFFAOYSA-N 387.439 2.972 0 40 GFAB CC(=O)N[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1)c1ccccc1 9904216 VUZIYAYSDUDGLM-SFHVURJKSA-N 394.475 2.592 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(N2CCCC2)cc1 9908930 CPWKMQIGNXPVEH-UHFFFAOYSA-N 384.480 2.870 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1Cl 10541681 CVPWGLYNQSPWKQ-CHWSQXEVSA-N 388.917 2.762 0 40 GFAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)n1 12187065 SAROLMPWRUQZNZ-CQSZACIVSA-N 394.479 2.987 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H](C)c3ccccc3)CC1)CNC2=O 12225970 YNFKBDYQECWTRI-MRXNPFEDSA-N 394.471 2.982 0 40 GFAB O=C([C@@H]1CN(Cc2nnsc2Cl)c2ccccc2O1)N1CCCCC1 12516341 CAFYYUWXTPZQJW-HNNXBMFYSA-N 378.885 2.972 0 40 GFAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)cc1 12874899 DCWCUQPXBWSJSM-XMSQKQJNSA-N 382.460 2.846 0 40 GFAB CS(=O)(=O)N1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 12908154 YQXWIZOVCHWCDC-UHFFFAOYSA-N 390.530 2.668 0 40 GFAB O=C(Nc1ccccc1)[C@@H]1CCCN(CN2C(=O)NC3(CCCCCC3)C2=O)C1 12972016 HKAQWXIFUYMJIU-QGZVFWFLSA-N 398.507 2.939 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccnc2)N1CCc1ccccc1 13730703 WAGZUZMHXZKCLC-IFMALSPDSA-N 394.496 2.973 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCN(Cc2cccc(OC)c2)CC1 13737274 XXXXFNZMCOMWPP-UHFFFAOYSA-N 389.477 2.893 0 40 GFAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1Cc1ccc(F)cc1 14200442 KVRPFKCAMOZCSC-UHFFFAOYSA-N 393.422 2.619 0 40 GFAB CCn1c(SCC(=O)c2ccc(CCNC(C)=O)s2)nnc1C1CC1 16126222 RVXRVPNQDWJIKG-UHFFFAOYSA-N 378.523 2.891 0 40 GFAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16575247 BRPFEYFXRJVEEV-OAHLLOKOSA-N 382.526 2.837 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cccc(F)c1)C2 19017365 XTNXYRVIFVUWGD-LJQANCHMSA-N 382.439 2.888 0 40 GFAB Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)o2)cn1 19239164 JQCRSEQGOGXCMP-QGZVFWFLSA-N 392.463 2.526 0 40 GFAB c1c(C2CCOCC2)nn2c(NCCCN3CCOCC3)c3c(nc12)CCCC3 19292079 YDDYMPZPCMVZRB-UHFFFAOYSA-N 399.539 2.636 0 40 GFAB CC1(C)NC(=O)N(CCC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C1=O 19460138 MYYWTTIFBZWPCK-FPAYPSAMSA-N 383.492 2.796 0 40 GFAB CCC(CC)C(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C 19500279 JJPPPZRXEVDRDL-GSHUGGBRSA-N 398.507 2.672 0 40 GFAB C[C@]1(C(=O)NCc2nnc3n2CCCCC3)CC(c2ccccc2Cl)=NO1 19661015 XHJDJHFZBCOVRL-LJQANCHMSA-N 387.871 2.857 0 40 GFAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 20021422 VLAASAWZOABQMO-ZDUSSCGKSA-N 396.896 2.847 0 40 GFAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 20466166 GJORWROGMGCRDL-HFKHWUNNSA-N 378.557 2.963 0 40 GFAB biogenic,in-vitro CC1(C)CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 20490377 MIWRZIDKICAWTD-UHFFFAOYSA-N 378.538 2.877 0 40 GFAB C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccc2c(c1)CCC2 21468661 FJJAGFDZTGVTTL-KBPBESRZSA-N 391.423 2.974 0 40 GFAB CCCn1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)nc2ccccc21 23078616 XTKXFGNWPBIOGY-UHFFFAOYSA-N 383.452 2.640 0 40 GFAB O=C(CSc1cccc[n+]1[O-])N1CCN(Cc2cccc3ccccc23)CC1 24136738 JUGFXJLLXCBWKF-UHFFFAOYSA-N 393.512 2.910 0 40 GFAB O=C(Nc1ccncc1)C1CCN(C(=O)c2cncc(Br)c2)CC1 24701361 BXPUZWNZUATTOO-UHFFFAOYSA-N 389.253 2.730 0 40 GFAB Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)sc1-c1nccn1C 25143705 CLMSUOZWZZKPFR-LBPRGKRZSA-N 385.449 2.688 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(Cn2cccn2)cc1 29230436 JPVXNTVNNNXCBV-UHFFFAOYSA-N 383.473 2.655 0 40 GFAB O=C(Cn1cc(Br)ccc1=O)NCC12CC3CC(CC(C3)C1)C2 30040483 SRBTUIGJULDOPD-UHFFFAOYSA-N 379.298 2.943 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(F)(F)F)cc1 31953330 MDCMBYYRVXSRSV-CQDKDKBSSA-N 398.381 2.938 0 40 GFAB Cc1cc2n(CC(=O)Nc3ccnn3C3CCCC3)c(=O)c3ccccc3n2n1 32810249 VUXKKVQDMQSVPG-UHFFFAOYSA-N 390.447 2.908 0 40 GFAB CC(=O)NCc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 32860297 XKJLGVBRWCTTJM-ZIAGYGMSSA-N 386.423 2.885 0 40 GFAB Cc1ccc(NC(=O)/C=C/c2ccnn2C)cc1S(=O)(=O)N1CCCCC1 36392475 AGTXHUOIKRKIFQ-CMDGGOBGSA-N 388.493 2.555 0 40 GFAB COc1cc(C(=O)NCCOc2ccc3c(c2)OCO3)cc(Cl)c1OC 40121754 XGNWAOWHLDXDDR-UHFFFAOYSA-N 379.796 2.895 0 40 GFAB COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)Nc1ccccn1 41107910 HYPVJYCYHYJKRM-UHFFFAOYSA-N 395.444 2.933 0 40 GFAB Cc1ccc(C(=O)N[C@H](c2nnc(-c3cccs3)o2)P(=O)(O)O)cc1 41154269 ATUJPFIVCYBDQE-HNNXBMFYSA-N 379.334 2.713 0 40 GFAB COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3OC)n2)c1 41254091 GTNCSFNYPGIAOQ-UHFFFAOYSA-N 393.443 2.634 0 40 GFAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)CCc1ccccc1 48210813 YNZGYNGXYZCDNH-OAHLLOKOSA-N 376.460 2.820 0 40 GFAB CCOc1ccc(C(=O)CN(c2ccccc2C(=O)OC)S(C)(=O)=O)cc1 57486379 LQKRNDFYFKYKEA-UHFFFAOYSA-N 391.445 2.521 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 57818884 QZUCVCLYSMVLMC-AWEZNQCLSA-N 385.489 2.507 0 40 GFAB CC1CCN([C@@H](C)CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 58327154 YFJLBGMKVMAVCL-HNNXBMFYSA-N 383.500 2.917 0 40 GFAB COC(=O)c1c(CC(=O)/N=c2/sc3ccccc3n2C)[nH]c(C(C)=O)c1C 58367784 AYOVEOGBHRUXQS-XUTLUUPISA-N 385.445 2.536 0 40 GFAB CCCCc1noc([C@H](C)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)n1 72293180 MKTWHISHXVPAPQ-INIZCTEOSA-N 393.576 2.889 0 40 GFAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1ccc3ccccc3n1)C2 72389554 JDKMSSRDOPQGOO-UHFFFAOYSA-N 375.476 2.867 0 40 GFAB Cn1cnnc1Sc1ccc(NC(=O)c2cc(-n3ccnc3)ccn2)cc1 95458616 OEHPIMXMRHYORK-UHFFFAOYSA-N 377.433 2.799 0 40 GFAB COC(=O)/C(=C/Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 100025861 VJYCBAAIXCTDGD-PDGQHHTCSA-N 391.445 2.912 0 40 GFAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N1CCc2ccccc2C1 101413800 WEHFLKQXGNTIIT-HXUWFJFHSA-N 391.471 2.719 0 40 GFAB O=C([C@H]1CCOc2ccccc21)N1CCN(c2ncnc3sccc23)CC1 102863926 ICFRVNDZDWABJF-HNNXBMFYSA-N 380.473 2.906 0 40 GFAB C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)N[C@H]1CCCC[C@@H]1C 106899687 UKPQPLKFCIELAZ-ZOBUZTSGSA-N 385.464 2.796 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C 109423571 HNXSIVLZDDMEED-UHFFFAOYSA-N 375.494 2.556 0 40 GFAB CC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(OC)c(OC)c1 224169505 AOLXOOOQMBXHGI-INIZCTEOSA-N 393.461 2.920 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1 225924527 ZCJVTOHPDCRYKW-UHFFFAOYSA-N 380.441 2.870 0 40 GFAB S=C(NCc1cccnc1)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 225939298 APIPTVMMRXAWJE-UHFFFAOYSA-N 383.525 2.559 0 40 GFAB Cc1ccccc1OCC(=O)NCc1nnc2ccc(-c3cccs3)nn12 245173996 YFNPULKESDFGNS-UHFFFAOYSA-N 379.445 2.856 0 40 GFAB CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)nc2ccccc21 257200550 ADTNUTMRWPFBJN-WOIUINJBSA-N 395.507 2.798 0 40 GFAB Cc1ncc(C(=O)N2CC[C@H](Cc3cncc(-c4c(C)noc4C)n3)C2)cn1 257298807 RNJBVNTWFGIPHM-OAHLLOKOSA-N 378.436 2.552 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCC[C@H](C)C2)s1 260793532 KSCBIFRGISSKFU-NSHDSACASA-N 380.495 2.519 0 40 GFAB Cc1cc(N2CCC[C@@H](NC(=O)c3cn(-c4cccc(F)c4)nc3C)C2)n(C)n1 575016002 IPHCWYHNFIJRLB-QGZVFWFLSA-N 396.470 2.761 0 40 GFAB Cc1cc2c(cc1NC(=O)C1(c3ccc(F)cc3)CC1)N(C)S(=O)(=O)N2C 575611407 FKGVFKPBVXGUPK-UHFFFAOYSA-N 389.452 2.935 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575618495 WGCQYJRCQSCLDS-BEFAXECRSA-N 391.464 2.981 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCn2cnnn2)c2c[nH]c3ccccc23)cc1 583652698 XZBUFAFVEYEBQM-GOSISDBHSA-N 390.447 2.501 0 40 GFAB CC(=O)N1CC(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)C1 585088694 PGZJMUSHLHQZLZ-UHFFFAOYSA-N 397.456 2.855 0 40 GFAB CCc1nc(S(=O)(=O)Nc2cc(C)nn2-c2ccncc2)cn1CC1CC1 585098417 RXYOSXUUSCJRLD-UHFFFAOYSA-N 386.481 2.545 0 40 GFAB O=C([C@H]1CCNCC1(F)F)N1CCC(c2nc(-c3ccccc3)no2)CC1 644007832 WNULOGYWXBRFLG-OAHLLOKOSA-N 376.407 2.687 0 40 GFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)cc1 647623186 XJZWBNXDHKYRKJ-HIFRSBDPSA-N 392.481 2.516 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)c2ccc3nc(O)n(C4CC4)c3c2)Cc2ccccc21 663131005 BUFZSZTXKNCUCB-MRXNPFEDSA-N 377.400 2.901 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776008454 GFVBCCAFFIWDSH-UHFFFAOYSA-N 384.358 2.713 0 40 GFAB Cc1cc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)nc(C2CC2)n1 1888875689 DKKHVHJQWVOWEU-UHFFFAOYSA-N 379.512 2.688 0 40 GFAB Cn1nccc1C(=O)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888901021 HYUAXPJTPJZVRB-CQSZACIVSA-N 381.411 2.557 0 40 GFAB COCCCN1CCC[C@]2(CCCN(S(=O)(=O)c3sccc3C)C2)C1 2056223439 LHKOKXXZVZCBLG-SFHVURJKSA-N 386.583 2.960 0 40 GFAB COc1ncccc1C(=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087139729 WJPBUKLRXPOSDK-DOMZBBRYSA-N 392.381 2.855 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(C)c2)n(C)c1=O 12374004 XURFDQFRQBSPHR-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12323790 MTOVUZKDJDSYON-NSHDSACASA-N 388.349 2.995 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)On2nnc3ccc(Cl)cc32)c1 24035767 DSDLPZMUHHKRRX-SNVBAGLBSA-N 376.800 2.558 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105766543 CBCYXSBOKKJMDH-JENIJYKNSA-N 376.522 2.654 0 40 GFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cccc(Nc2ncccn2)c1 24866488 IUJMXHBQTSGUCG-UHFFFAOYSA-N 391.431 2.848 0 40 GFAB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cccc1OC 6937289 YZRFXVRPLITPFI-KWWJGWKXSA-N 395.415 2.934 0 40 GFAB COc1cc(CNn2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl 7602419 UKLPQJCYVKDFID-UHFFFAOYSA-N 395.250 2.893 0 40 GFAB Cc1ccc(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 3221125 KHFQFOHQYGSURB-UHFFFAOYSA-N 395.864 2.695 0 40 GFAB O=C(COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1cccc(Cl)c1Cl 100646812 HIJAFHPBJXZJSR-RVLVMUAMSA-N 384.215 2.673 0 40 GFAB O=C(CN1CCN(c2nccs2)CC1)Nc1c(F)c(F)c(F)c(F)c1F 57381178 ZNYOGVVGDPLVHB-UHFFFAOYSA-N 392.353 2.599 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O)N1CCCCC1 106756550 ZBCCYCBJAGTOCX-YBEGLDIGSA-N 398.440 2.842 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 102082680 XWOIEBCMEHRJBZ-BGHFTGAHSA-N 391.254 2.985 0 40 GFAB O=C(O)c1ccc(Oc2ccc(NC(=O)c3nccnc3C(=O)O)cc2)cc1 72401316 RXWSQSMCHDNYPG-UHFFFAOYSA-N 379.328 2.918 0 40 GFAB CC(=O)c1c[nH]c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12752759 SPPVSGSVXJGMLA-UHFFFAOYSA-N 382.416 2.724 0 40 GFAB CCCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2093210 HEEQHJUOIHMCMN-HNNXBMFYSA-N 375.421 2.857 0 40 GFAB biogenic CC(=O)[C@H]1CC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)=NN1c1ccccc1 58179928 UQWZEVRQMBFAAW-QGZVFWFLSA-N 384.823 2.601 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc3ccccc23)C1=O 12789338 KBNRFOFZGHLZSQ-QFIPXVFZSA-N 389.411 2.717 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 58304863 MNLRSGYMQFKPEB-SJLPKXTDSA-N 398.507 2.585 0 40 GFAB C[C@@H]1CN(CCCNc2cnn(-c3ccccc3)c(=O)c2Cl)C[C@@H](C)O1 23619225 XBQYZTUJCLNQCC-HUUCEWRRSA-N 376.888 2.797 0 40 GFAB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)c1c[nH]c2ccccc12 11367751 BMWWDLFXABPVCW-UHFFFAOYSA-N 383.477 2.906 0 40 GFAB CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1C 3474654 ISKZDUFTVCBHCE-UHFFFAOYSA-N 395.415 2.881 0 40 GFAB COCc1cc(N[C@@H](c2ccc(OC)cc2)C2CCOCC2)n2ncnc2n1 95982751 IGTPSSIECUBWLW-IBGZPJMESA-N 383.452 2.859 0 40 GFAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(CCN2CCCC2)CC1 23257342 MJMHZBRIHIYIIF-UHFFFAOYSA-N 378.520 2.966 0 40 GFAB CCC[C@H](C)CS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 95399847 FCWVOWSRTAJTFB-PXNSSMCTSA-N 382.570 2.788 0 40 GFAB O=S(=O)(CCn1nnc2ccccc21)N1CCC(Cc2ccccc2)CC1 24700606 SSMSYKCNRSSQNC-UHFFFAOYSA-N 384.505 2.716 0 40 GFAB O=C1CCCN1CCCNC(=S)Nc1cnn(Cc2ccc(Cl)cc2)c1 2806255 PCMHSNGGTTYIBW-UHFFFAOYSA-N 391.928 2.884 0 40 GFAB Cc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1C 22525004 SDUOINJWJWQCAR-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB COc1ccc(Oc2cc(NC(=O)[C@H]3CCS(=O)(=O)C3)ccc2OC)cc1 13006460 AQTWEZBFBUTQKW-ZDUSSCGKSA-N 391.445 2.869 0 40 GFAB COc1ccccc1Nc1nc(N)nc(CS[C@@H](C)C(=O)NC(C)(C)C)n1 9117930 BWBAXLBLTBKFIH-NSHDSACASA-N 390.513 2.742 0 40 GFAB CCS(=O)(=O)c1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 13626630 BHJBHEFRDPTOSL-UHFFFAOYSA-N 383.495 2.781 0 40 GFAB COC(=O)Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CCCC4)c1=O 13726129 GPUQNPUMLKCYRF-UHFFFAOYSA-N 379.372 2.850 0 40 GFAB O=C1CCSc2ccc(C(=O)NCCc3ccc4c(c3)OCCO4)cc2N1 14241980 ISEKEVJIUSFKJT-UHFFFAOYSA-N 384.457 2.865 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCOC)ccc1C 6561264 GISVTZUEFCLBKM-UHFFFAOYSA-N 390.505 2.977 0 40 GFAB CN1CCN(c2nnc3n2-c2ccc(Cl)cc2[C@H](c2ccccc2)NC3)CC1 5529562 MELAHTGRERHHBZ-FQEVSTJZSA-N 394.910 2.865 0 40 GFAB CN(CC(=O)N1CC=C(c2ccccc2Cl)CC1)c1ncnc2[nH]cnc12 92029709 QJNSVQFVPJDTSZ-UHFFFAOYSA-N 382.855 2.758 0 40 GFAB C[C@H](OC(=O)CCNC(=O)Nc1ccccc1)C(=O)N1CCc2ccccc2C1 9620964 YVUXRHZGTWMTNC-INIZCTEOSA-N 395.459 2.715 0 40 GFAB COc1ccc(CN2CCN(CC(=O)N3CCCCCC3)CC2)c(Cl)c1 96993929 VAIPZKUJUPZVGP-UHFFFAOYSA-N 379.932 2.869 0 40 GFAB COCCn1cc(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cn1 72289084 JBIQGASJWHKOEN-GOSISDBHSA-N 378.448 2.892 0 40 GFAB N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Br)c1 89780603 RFEGJDSSHLATCX-UHFFFAOYSA-N 399.197 2.959 0 40 GFAB COc1ncccc1NC(=O)c1nc([C@@H]2CCCN2C(C)=O)n2ccccc12 306145091 ZXWWJPLSIGEWLD-INIZCTEOSA-N 379.420 2.674 0 40 GFAB COc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1 65250865 SIAYFTHNNJNSMK-UHFFFAOYSA-N 390.403 2.564 0 40 GFAB Cc1cccc(N2CCN(C(=O)C3CCN(c4ncccn4)CC3)CC2)c1C 35291010 AIQNWAJIBAJCOG-UHFFFAOYSA-N 379.508 2.659 0 40 GFAB Cc1ccc(OC[C@H](O)Cn2cnc3ccc(Br)cc3c2=O)cc1 32854245 SGLANGAHFIGJOX-CQSZACIVSA-N 389.249 2.907 0 40 GFAB CCN(c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1)S(C)(=O)=O 38753889 NKROHBUAJMQGBP-UHFFFAOYSA-N 398.488 2.588 0 40 GFAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cncc(Br)c1 38679733 MOXYTZURDGZATN-NEPJUHHUSA-N 398.282 2.581 0 40 GFAB Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)NCc4ccco4)nc3c2c1C 72335228 ZTRIJASRXJVUSM-UHFFFAOYSA-N 399.476 2.755 0 40 GFAB COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c(OC)c1 219708907 MDJPYIRFCNOJBQ-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB O=C1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)=NN1Cc1ccccc1 49407525 WWQNZNHGSSCOEB-UHFFFAOYSA-N 376.372 2.992 0 40 GFAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COC(C)C 224718696 OLLWWDYJIWJYSY-UHFFFAOYSA-N 392.477 2.910 0 40 GFAB O=C(/C=C/c1ccco1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819523 GFUHSRYQRWRMHJ-CMDGGOBGSA-N 379.416 2.753 0 40 GFAB O=S(=O)(NCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 222988141 WJTUJPLXYYDHRE-UHFFFAOYSA-N 378.454 2.681 0 40 GFAB COc1cccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1 222901131 DIZUGVNMHUIQBY-UHFFFAOYSA-N 392.477 2.667 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856415 JYIXNLGTZQLGTN-BEFAXECRSA-N 388.489 2.708 0 40 GFAB CC(C)N1CCN(c2ccc3ccc(C(=O)NCc4cccnc4)cn23)CC1 96091614 VMSFGXMFLHRSFH-UHFFFAOYSA-N 377.492 2.795 0 40 GFAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)Nc1nc(CC(N)=O)cs1 583619974 CSLZXCBBMUJHON-YWZLYKJASA-N 385.489 2.973 0 40 GFAB Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 95479425 GHPPOMQXGNQFRM-QGZVFWFLSA-N 382.420 2.619 0 40 GFAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)C[C@@H](OC(C)=O)[C@]21O 253489173 DEXUKJJEUCWGLM-YEYKPMIPSA-N 386.444 2.683 0 40 GFAB CNC(=O)c1sc2nc([C@]3(C)CCCN(c4cc(C)ncn4)C3)ccc2c1N 257214495 CMEPCIGZXJXVRJ-HXUWFJFHSA-N 396.520 2.895 0 40 GFAB Cc1cc(N2CCC(CNS(=O)(=O)c3c(F)cccc3F)CC2)ccn1 253402601 OLUZYIPQJQTFEK-UHFFFAOYSA-N 381.448 2.863 0 40 GFAB CC(=O)Oc1cccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)c1 254572232 MVFWLUIQSFEGSS-UHFFFAOYSA-N 377.425 2.599 0 40 GFAB Cc1cc(C(=O)N2CCNC[C@@H]2c2ccccc2Cl)nn1C1CCOCC1 638216025 HFEREMHCOAUHAM-LJQANCHMSA-N 388.899 2.983 0 40 GFAB Cc1ccc2ncc(-c3cccc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)n3)n2c1 585262732 ASYKRDVVZXZALJ-INIZCTEOSA-N 399.520 2.691 0 40 GFAB CCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c2cc3sccc3n12 5108907 MGBVCTNPZSVKAC-UHFFFAOYSA-N 396.472 2.598 0 40 GFAB Cc1ccc(S(=O)(=O)NC(=S)N2CCN(c3ccccc3F)CC2)cc1 5375809 YHNSWHHRVIXQOT-UHFFFAOYSA-N 393.509 2.520 0 40 GFAB Cc1cccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 11067699 GGQGJBULPFPXOO-MRXNPFEDSA-N 394.475 2.629 0 40 GFAB Cc1ccc(CCC(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)s1 12121457 RRNOHQZRYKZGIQ-UHFFFAOYSA-N 399.563 2.650 0 40 GFAB CC(C)CN1Cc2cccc(C(=O)N[C@@H](C)Cn3nnc4ccccc43)c2C1=O 12183330 CDCZCENPZFUVLX-HNNXBMFYSA-N 391.475 2.862 0 40 GFAB CC[C@@H](C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 13718723 UTYMPOHVZSZTFC-QGZVFWFLSA-N 387.443 2.919 0 40 GFAB Cc1ncsc1C(=O)N(C)Cc1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 19698060 PSBGOFIVIWOGSP-UHFFFAOYSA-N 385.493 2.511 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCC(c2cc(CN(C)C)n(C)n2)CC1 19710217 XLJNMTAJKQPFHS-UHFFFAOYSA-N 386.496 2.519 0 40 GFAB CCOC(=O)c1ccc(-n2ncc(N3C[C@H](C)O[C@H](C)C3)c(Cl)c2=O)cc1 4289201 IIUBTURNEUNFCD-BETUJISGSA-N 391.855 2.676 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N(C)C[C@H]3COc4ccccc4O3)ccc12 18005175 UNXFKVUGIFRLHG-INIZCTEOSA-N 395.411 2.779 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(SCc2ccc(OC)cc2)s1 5871759 HWCQKXWYGKRZGR-SECBINFHSA-N 398.535 2.775 0 40 GFAB Cc1ccc(N2CC(N(C)C(=O)COc3ccc(Cl)cc3Cl)C2)nn1 1888875888 AAKDYWYBZXFWRU-UHFFFAOYSA-N 381.263 2.818 0 40 GFAB Cc1nc2ccccc2nc1N1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2)C1 1888976924 MQPMOIZNRMQNPX-SFHVURJKSA-N 396.516 2.979 0 40 GFAB CC1CC(C(=O)N2C[C@@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)C1 1614930370 AGQLKQSJEUAHJY-DQPZFDDXSA-N 376.522 2.666 0 40 GFAB COCC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)/C=C/c3cccs3)C[C@H]12 1565555777 HGIMXBINPVMUIS-HOHNQRSASA-N 387.505 2.623 0 40 GFAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)C4CC(F)(F)C4)C[C@H]32)CC1 1565552556 ZOHQXPHAAFJTGD-BBRMVZONSA-N 376.451 2.856 0 40 GFAB CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 1595462 NLBLGIGBTKMQSA-INIZCTEOSA-N 398.459 2.905 0 40 GFAB biogenic O=C(c1cc2ccccc2oc1=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 4165394 SQSUBGMHPGIGRG-MRXNPFEDSA-N 381.409 2.751 0 40 GFAB Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)ccnc2n(C)c1=O 4942216 QELQZGCFJQCKDU-UHFFFAOYSA-N 381.379 2.943 0 40 GFAB O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1 36700233 QSGXANUUKIPWHK-LJQANCHMSA-N 378.469 2.568 0 40 GFAB CCOc1ccc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1OCC 49482892 DCXXUGVSQJLPHE-UHFFFAOYSA-N 395.419 2.564 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)o1 40018259 AFXZKKRJLMPAJO-QWSUTHEZSA-N 399.535 2.963 0 40 GFAB CNc1snc(C)c1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 30769729 LGWLXLMGGKRXGE-UHFFFAOYSA-N 378.885 2.745 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1CC 31614449 LZMNHOHDMOXQRN-UHFFFAOYSA-N 384.461 2.941 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20456957 XLUQJIZBVZEFJP-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB COc1ccc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)c1 20721882 MOKRNOYOALNDOG-KRWDZBQOSA-N 397.460 2.763 0 40 GFAB CCCn1c(=O)n(C[C@H](O)COc2cccc(C(=O)OCC)c2)c2ccccc21 32760031 YMCQSWRZCMCGCE-KRWDZBQOSA-N 398.459 2.830 0 40 GFAB C[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(S(C)(=O)=O)cc1 33161825 RAYXXHGHXAIGAG-KZULUSFZSA-N 390.436 2.600 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCC1(N2CCOCC2)CCCCC1 22462519 IYDNQIMDSQNYBP-UHFFFAOYSA-N 399.535 2.507 0 40 GFAB COc1ccc(-n2ncc3c(SCC(=O)Nc4cc(C)on4)ncnc32)cc1 1346647 YAQFEOMMTQQKSC-UHFFFAOYSA-N 396.432 2.851 0 40 GFAB Cc1ccc2c(c1)N(CC(=O)N(Cc1ccc(C)o1)C[C@@H]1CCCO1)C(=O)CO2 1362136 GQIPZLVQBSSYOC-KRWDZBQOSA-N 398.459 2.830 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104704605 JNFAQMOKIASNLD-NBOOPKSLSA-N 397.475 2.857 0 40 GFAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc2c(c1)OCO2 2921576 CRADNZFVWIZYFW-UHFFFAOYSA-N 383.429 2.704 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc(Cl)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4194804 WLUSHOBOGRNGTN-PAURTPPISA-N 384.812 2.642 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 4308542 UJFXTXXNCICYCM-QFIPXVFZSA-N 395.434 2.568 0 40 GFAB Cc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1F 4895755 ALBQHXSGDYGELI-SANMLTNESA-N 380.416 2.908 0 40 GFAB O=C(CCCCOCCCCC(=O)OC[C@H]1CCCO1)OC[C@H]1CCCO1 4896172 CJMPCZXAUUWQRN-QZTJIDSGSA-N 386.485 2.788 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)CC(=O)N2 4944342 KARUWKAXELNWDP-LLVKDONJSA-N 375.450 2.763 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 4999911 APFPFAUYXCSUEL-UHFFFAOYSA-N 375.787 2.614 0 40 GFAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC(=O)NCc1ccco1 6461006 VJIVXZAXGZJLLT-UHFFFAOYSA-N 393.399 2.937 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)c(C)c1 7604541 NWTMMLPSYZSGFJ-UHFFFAOYSA-N 380.441 2.840 0 40 GFAB COc1cccc([C@@H](NS(=O)(=O)Cc2ccc(F)cc2)c2nccn2C)c1 25059470 WQFNKRFKEYHXIR-GOSISDBHSA-N 389.452 2.777 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc2c(c1)C(=O)c1ccccc1-2 10895005 WANWQGIWRQJAHO-UHFFFAOYSA-N 383.363 2.680 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1 8637556 BIXNUIYSOLJOIP-UHFFFAOYSA-N 375.446 2.649 0 40 GFAB CC(=O)Nc1cccc(OCc2cccc(N3C(=N)NC(=N)NC3(C)C)c2)c1 8672818 WHSVABAIBQNZRR-UHFFFAOYSA-N 380.452 2.829 0 40 GFAB O=C(OCc1nnc(-c2ccccc2)o1)[C@H]1CCCN(C(=O)c2ccco2)C1 25782460 VKZVAODNUNXKJW-HNNXBMFYSA-N 381.388 2.925 0 40 GFAB Brc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)s1 84445285 SEYJDHUCWBUMKB-UHFFFAOYSA-N 378.299 2.876 0 40 GFAB Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CC(n4cccn4)C3)c12 57892903 NQDNNIOZDFBIQS-UHFFFAOYSA-N 399.458 2.895 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42CC[C@@]1(OC)[C@H](C(C)=O)C2 103841455 KRWAWNXEYPCCLG-VEGVZZKRSA-N 383.488 2.729 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 12749462 OANMGBAVLUWMEX-IBGZPJMESA-N 388.489 2.639 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 58203469 FWILWUBJOPDADA-LJQANCHMSA-N 390.528 2.533 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)NCc1cccc(NS(C)(=O)=O)c1 10361825 MJSJGNCFXTVZBI-UHFFFAOYSA-N 391.493 2.717 0 40 GFAB C[C@@H](NC(=O)CNC(=O)C1CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 48355445 QMEHDSYMUPJYNV-CQSZACIVSA-N 397.450 2.710 0 40 GFAB COc1ccc2nc(C)c(C(=O)O[C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2c1 48301421 TUGGDPVAOOBXMR-UMVBOHGHSA-N 386.448 2.733 0 40 GFAB CCOc1cc(CNCCN2CCOCC2)cc(Br)c1OCC 22076022 MPEWDYMMZMDFJL-UHFFFAOYSA-N 387.318 2.668 0 40 GFAB CC[C@H](CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)n1cccn1 36619031 ICCHWSUOOYIOGT-MRXNPFEDSA-N 393.426 2.898 0 40 GFAB COc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2Cl)cc1OC 12848361 KFYNOJBHCFTBDL-UHFFFAOYSA-N 376.840 2.746 0 40 GFAB C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 12884151 FBAAWZYETFHPEG-CQSZACIVSA-N 393.534 2.962 0 40 GFAB CCOc1ccc(CN(C)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 12888091 MQBQCEOFKZUDKC-UHFFFAOYSA-N 385.395 2.700 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O 11865976 FRBIXXLRUBAQBF-AWEZNQCLSA-N 378.384 2.793 0 40 GFAB biogenic Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H]1Cc2ccccc2O1 46653331 BPPQBRBCRMGXJX-SFHVURJKSA-N 375.428 2.792 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(C)cc2)c1 13019775 IKPITIXVRASCKY-UHFFFAOYSA-N 376.478 2.912 0 40 GFAB COc1cccc(-c2noc(CN3C(=O)COc4ccc(C)cc43)n2)c1OC 38651644 ZMVYBDLZJGMKOK-UHFFFAOYSA-N 381.388 2.988 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1 5072273 UTAPWMKZDSTMRV-MRXNPFEDSA-N 381.285 2.571 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccccc1F)O2 64988562 BLAPHQZNNWFQRI-KRWDZBQOSA-N 378.425 2.690 0 40 GFAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN(C)C 5271947 MLIZVZOJQHORGJ-LBPRGKRZSA-N 392.883 2.770 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)C[C@@H](C)O1 14075577 LNLVYZNRNGDEHX-OKILXGFUSA-N 392.452 2.876 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CCCCN1C(=O)c3ccccc3C1=O)C2=O 4514795 AQAHFZIXMAZNLH-LHSJRXKWSA-N 383.448 2.564 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1N(C)S(C)(=O)=O 5516248 BLDJRSQTHXNESA-UHFFFAOYSA-N 398.506 2.509 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 5636707 RADBQUVHSGRGPG-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB COc1ccc(NS(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1Cl 5883413 JWMJFIUJHPAYBL-UHFFFAOYSA-N 390.870 2.521 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(F)c2)cc1C 408617003 BZBONUOLRJKVDP-CYBMUJFWSA-N 380.441 2.838 0 40 GFAB O=C([C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1)N1CCOCC1 8162569 ZEHMTHMSFCUGMH-OAQYLSRUSA-N 379.460 2.825 0 40 GFAB CCC[C@@](C)(NC(=O)c1cc(Br)c2c(c1)OCCO2)C(=O)OC 71849944 ISDAHYKLRKOEQD-MRXNPFEDSA-N 386.242 2.682 0 40 GFAB O=S(=O)(N[C@@H](c1ccccc1)c1ccncc1)c1ccc2c(c1)OCCO2 8457427 JTICAUWHIZTTQD-FQEVSTJZSA-N 382.441 2.921 0 40 GFAB CN(Cc1ccsc1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 8883756 FMBAOFNLFRJHDV-UHFFFAOYSA-N 392.278 2.879 0 40 GFAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1OC 9868392 YYCAVEVZVMINPI-AWEZNQCLSA-N 392.502 2.570 0 40 GFAB C/C=C/C=C/C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 96947947 KOWOTBULNSOJDD-HDHPCZPKSA-N 386.429 2.700 0 40 GFAB COCCn1ccc2c(NC(=O)c3ccc(C)c(-n4cnnn4)c3)cccc21 95472329 PDNOQZHJNJPMEG-UHFFFAOYSA-N 376.420 2.824 0 40 GFAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCn2c(cnc2C(F)(F)F)C1 95993200 NRXBPQVYAKFZAF-NSHDSACASA-N 376.342 2.888 0 40 GFAB O=C(c1sccc1-n1cnnn1)N1CCC(CN2CCc3ccccc32)CC1 95957480 PNAXYHOTUZXICH-UHFFFAOYSA-N 394.504 2.639 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C 9952691 CFHJFDUOBLYGRU-UHFFFAOYSA-N 388.489 2.774 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OC 20024904 GWGOMZPTGFUTOC-KRWDZBQOSA-N 388.489 2.801 0 40 GFAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(CC)cc3)c(=O)c2=O)cc1 67255932 XRIPJEYXFFJQBJ-UHFFFAOYSA-N 393.443 2.599 0 40 GFAB CC(C)CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408613828 WDNFHQFBDSCPGN-UHFFFAOYSA-N 381.325 2.917 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 35349313 RSJWOWVMKRUPFD-SFTDATJTSA-N 377.488 2.947 0 40 GFAB Cc1ccc(NC(=O)COc2cccc(/C=C3/NC(=S)NC3=O)c2)cc1C 33662749 NAUXDUAFTPXFGS-LICLKQGHSA-N 381.457 2.666 0 40 GFAB CSc1cccc(NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)c1 70896012 DTKLSKOWIYAGSO-UHFFFAOYSA-N 384.505 2.775 0 40 GFAB CC(C)C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C(=O)N(C)C 36392030 PGCHXNVNACGQFC-KRWDZBQOSA-N 386.471 2.733 0 40 GFAB CCOC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218113255 PMPUVYPRDGMXCM-SLFFLAALSA-N 375.490 2.677 0 40 GFAB CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 40176966 GQCWLUIOOHCGCR-UHFFFAOYSA-N 388.445 2.632 0 40 GFAB CCc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1cccc(Cl)c1 40384991 LLLHMLXLUGUULP-UHFFFAOYSA-N 398.898 2.703 0 40 GFAB CCc1nn2c(ncc3c(=O)n(-n4c(C)nnc4C)ccc32)c1-c1ccccc1 40387878 VEQYKOPWEYLLBK-UHFFFAOYSA-N 385.431 2.793 0 40 GFAB CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OC 223697965 ZLEXMPTWQNRDMI-UHFFFAOYSA-N 381.450 2.590 0 40 GFAB C[C@H](CNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 223992715 IGWISCLTPKOHBS-CYBMUJFWSA-N 382.432 2.651 0 40 GFAB CCN(c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1)S(=O)(=O)CC 222392591 GYFKTQUCTUKCBF-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccc2F)CC1 225467872 IRPSEJGPJUKVSY-UHFFFAOYSA-N 391.512 2.598 0 40 GFAB biogenic,in-vitro O=C1COC(=O)N1[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 225700310 JDZYTIVNMOJKGA-HNNXBMFYSA-N 376.840 2.732 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)sc1C 96117289 PMGIIEFBCIDRLJ-UHFFFAOYSA-N 384.417 2.815 0 40 GFAB COCCN1CCN(c2ccc3ccc(C(=O)NCc4ccc(C)o4)cn23)CC1 96155911 IOMMTGFYEHITLU-UHFFFAOYSA-N 396.491 2.539 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230190 NAZXNBZGXAPWPN-VDVULAQNSA-N 396.418 2.598 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCc2c(C)n[nH]c2C)[C@@H]1c1ccccc1C 257230472 GCNASNGBCVGDJM-NQIIRXRSSA-N 398.507 2.577 0 40 GFAB NC(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)cc1 257261659 LIHXCUZSWIIXMA-QZTJIDSGSA-N 377.916 2.951 0 40 GFAB C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 253473767 YIXXAXZGXVDMNF-GFCCVEGCSA-N 386.429 2.787 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cnc3c(F)cccc3c1)C2=O 618032935 XTRYJIHSEXLUQB-YUNKPMOVSA-N 384.411 2.813 0 40 GFAB CC(C)(C)n1nnc(CNC(=O)NCc2nc(-c3ccccc3F)cs2)n1 654548552 FCKRXXNHJGQJAI-UHFFFAOYSA-N 389.460 2.690 0 40 GFAB Cc1cc(F)ccc1-n1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)nn1 678087284 WHBSIFFVWDMCAU-MRXNPFEDSA-N 395.438 2.684 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(Cc3nc4ccccc4n3C)CC2)c1C 96835617 JWLMMYQARQSOLO-UHFFFAOYSA-N 391.519 2.946 0 40 GFAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2scnc2C(=O)O)cc1 566180055 XJRIWHBNNQHYQY-ZDUSSCGKSA-N 382.463 2.766 0 40 GFAB Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)CC3 585099397 DJJVVKASDJKVJF-HUUCEWRRSA-N 389.521 2.552 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)c1cnn(-c2ccc(Cl)cc2)c1 40141866 VFROJVJEGSGOSY-UHFFFAOYSA-N 397.866 2.687 0 40 GFAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 57820913 VATCLTPOWTUEQP-MVGZEHJDSA-N 381.505 2.948 0 40 GFAB COc1ccc(NC(=O)N2CCC3(CC2)CC(=O)N(C)c2cc(C)nn23)cc1 1772596462 JGPLOHHCFKVXDC-UHFFFAOYSA-N 383.452 2.590 0 40 GFAB CCn1c2ccccc2n2c(=O)n(CC(=O)NC34CC5CC(CC(C5)C3)C4)nc12 12117682 ZBPQRYQCSBCCFH-UHFFFAOYSA-N 393.491 2.556 0 40 GFAB CCn1ncc(C(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)c1C 12144693 NLPQEPVXFMYFPB-UHFFFAOYSA-N 380.452 2.985 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 13613783 YXQOQQLAQNLOQM-UHFFFAOYSA-N 390.461 2.576 0 40 GFAB CC1CCN([C@H](C)CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 19496779 QLWVPDSDGXFTOR-IEPIWIGSSA-N 385.556 2.810 0 40 GFAB CCOc1cccc2sc(NC(=O)c3ccc(Cn4cnnn4)cc3)nc12 19714870 SZHRFEHXLUTIDH-UHFFFAOYSA-N 380.433 2.982 0 40 GFAB COc1ccc(-c2ccnc3c(C(=O)N[C@@H](C)CN4CCCC4)cnn23)cc1 19719010 YUXACBDEWNVFMQ-HNNXBMFYSA-N 379.464 2.619 0 40 GFAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)n1 12227641 ZCHCRWGARMOULP-KGLIPLIRSA-N 384.548 2.738 0 40 GFAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12276447 FSJQUPQZIGZNIX-CYBMUJFWSA-N 395.488 2.767 0 40 GFAB COc1ccccc1CCC(=O)N1CC[C@H](c2cc3nc(C)cc(O)n3n2)C1 13225634 MMNOROXHQSJRNM-INIZCTEOSA-N 380.448 2.701 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2O 248048293 AKSMCYXVBDZJRK-NROPHMHMSA-N 380.481 2.510 0 40 GFAB biogenic,in-vitro Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c1 666003688 LJRSZNFZNQSRCL-GOSISDBHSA-N 375.476 2.922 0 40 GFAB COc1cc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc(OC)c1 19595104 RTMZKXHZTIXCEB-INIZCTEOSA-N 390.505 2.882 0 40 GFAB COC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(OC)cc3)C2=O)c1 3953743 LSVVENLUJHQOSD-UHFFFAOYSA-N 386.791 2.918 0 40 GFAB Cc1cc(CNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)ccc1F 21068294 VQVPKKWJQIXYNZ-UHFFFAOYSA-N 382.432 2.648 0 40 GFAB Cc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)c4cccc(C)c4)C3)C2=O)cc1 1888906651 CCLSIADBGNIMGO-JOCHJYFZSA-N 377.444 2.640 0 40 GFAB COc1cccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037988964 PIXWFKOTWJXRTN-OAQYLSRUSA-N 385.439 2.627 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](OC)c1ccc(Cl)s1 253402728 OPJLYJQYBASKRU-CYBMUJFWSA-N 382.869 2.530 0 40 GFAB Cc1nc(CN2CCOC3(CCN(C(=O)C4CC(F)(F)C4)CC3)C2)cs1 1565546556 HADNRQWJLVJALV-UHFFFAOYSA-N 385.480 2.690 0 40 GFAB CCOCCn1ccc2c(OCC(=O)NCc3ccccc3)cccc2c1=O 4584378 WLPGSDPOHGWTJC-UHFFFAOYSA-N 380.444 2.733 0 40 GFAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)c2ccccc2S1(=O)=O 4940730 KISXNHQGBSVTLG-SNVBAGLBSA-N 398.362 2.877 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)/C=C/c2cccs2)C[C@H]2OCC[C@H]21 2055772674 NRLCQFQMFHZZDE-YSEKLJNJSA-N 386.473 2.534 0 40 GFAB CN1c2cc(F)c(NC(=O)c3ccc(F)c(F)c3F)cc2N(C)S1(=O)=O 575613209 QFNKFJGMKXVIDS-UHFFFAOYSA-N 389.330 2.626 0 40 GFAB CCn1cc(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)c(=O)c2ccc(C)nc21 618256096 DDSSILIDSGJPIL-MRXNPFEDSA-N 396.516 2.791 0 40 GFAB O=C(Nc1cc(-c2cccs2)nn1CCO)c1cc2ccccc2oc1=O 42384577 NMGJTAZZGKLMAL-UHFFFAOYSA-N 381.413 2.963 0 40 GFAB Cc1[nH]c2ccccc2c1CC(=O)NCCN1CCN(Cc2ccccc2)CC1 32065042 FVDDGINPUSCVSE-UHFFFAOYSA-N 390.531 2.953 0 40 GFAB Cc1c(NC(=O)Cc2cnn(-c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 40040308 JJCUYIOSDKNYTB-UHFFFAOYSA-N 387.443 2.851 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)C[C@@H](C)O1 40090557 ZZDVWMFBNBCSSQ-HDICACEKSA-N 398.547 2.982 0 40 GFAB CCn1cnnc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1 40113396 HSJXONUZCGWIRG-UHFFFAOYSA-N 376.420 2.982 0 40 GFAB CCCn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)c(O)c2ccccc21 100562544 HUAFCKDTTZVBLF-UHFFFAOYSA-N 380.400 2.776 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100769906 YIBMUIHHMYIIKU-PMACEKPBSA-N 392.521 2.969 0 40 GFAB CCCCc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4ccccc43)c2=O)cc1 20410682 OPPXDMLCUASQAR-HXUWFJFHSA-N 391.471 2.809 0 40 GFAB biogenic Cc1ccc(N2C(=O)C[C@@H](Sc3nnnn3-c3ccccc3)C2=O)cc1C 100971687 BCDYFGONXFHTNV-MRXNPFEDSA-N 379.445 2.703 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)c(C)c1 21023911 DPZLETFSKROJTB-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB COc1cccc(-c2noc(C[S@@](=O)CC(=O)N(C)c3ccccc3)n2)c1 32801514 YFCATXOYGXDVLV-MHZLTWQESA-N 385.445 2.657 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)c2ccccc2N(C)S(C)(=O)=O)c1 32900478 ZGSCKHXHARDUOH-UHFFFAOYSA-N 390.505 2.850 0 40 GFAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 898203 KEWGYGQCLIKOQT-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB COc1ccc(OC)c(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 816970 FYMVZZKFFDQWCP-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB CCOC(=O)C[S@@](=O)c1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 900468 WZKRQBIGPSQWER-SANMLTNESA-N 384.379 2.932 0 40 GFAB CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 1572945 AJQYZRHQCXCROF-RTBURBONSA-N 398.459 2.750 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894509 CQBWAHVZDQSUPJ-GHTZIAJQSA-N 385.552 2.895 0 40 GFAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2746443 CRDLVQPQUWGKKO-JTQLQIEISA-N 377.447 2.595 0 40 GFAB O=C(Nc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1)NC1CC1 54627711 OKSXDHZDLBPGJX-UHFFFAOYSA-N 376.420 2.863 0 40 GFAB CNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160411 JJQCXUOFWFNELJ-UHFFFAOYSA-N 381.457 2.763 0 40 GFAB COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)n1 4354549 OZUDLTGLKQLGOV-UHFFFAOYSA-N 393.447 2.897 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885759 JWHVOBLPPCZCFU-ISJRUSPKSA-N 392.455 2.685 0 40 GFAB CCOc1ccc(C(=O)Nc2nnc(SCC(=O)OC)s2)cc1OCC 7345334 OZCOHVJAZRNQAI-UHFFFAOYSA-N 397.478 2.853 0 40 GFAB COC(=O)c1sccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 24908458 QGBGTXZGAOMQGH-VIFPVBQESA-N 380.372 2.805 0 40 GFAB Cc1sc(CNC(=O)C2=NN(C)C(=O)CC2)nc1-c1ccc(Cl)cc1 55427319 ABWMHRYHBHIFJI-UHFFFAOYSA-N 376.869 2.996 0 40 GFAB Cc1ccc(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 10110447 IBQBYCQRSFJNRF-UHFFFAOYSA-N 378.469 2.649 0 40 GFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 10441103 QWHPZIBYKXZIFD-CQSZACIVSA-N 390.461 2.657 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CCc2ccc(OC)c(OC)c2)cc1 3274288 OZWKBXHPAZGEKV-UHFFFAOYSA-N 379.478 2.966 0 40 GFAB CC(C)c1ccccc1OC[C@@H](O)CN1CCC(N(C)c2cccnn2)CC1 107074236 YQCQFNXPAZBABG-IBGZPJMESA-N 384.524 2.941 0 40 GFAB CCOC(=O)C1(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCC1 48264008 COKKBAVOPASYRZ-UHFFFAOYSA-N 390.455 2.670 0 40 GFAB CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1Cc2ccccc2O1 24820323 MIYGWMSMJMRPSK-INIZCTEOSA-N 389.249 2.850 0 40 GFAB Cc1cc(C(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc23)c(C)s1 58264904 KMFQMKCPEODFCO-UHFFFAOYSA-N 385.445 2.787 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)CSc1nccn1-c1cccc(C)c1C 10348187 ITLQGPYAQIVNRW-UHFFFAOYSA-N 388.537 2.954 0 40 GFAB Cc1cccc(N(CCC(N)=O)C(=O)c2nc(N3CCCC3)ncc2Cl)c1 58312401 KGPZEZYDYCAMOF-UHFFFAOYSA-N 387.871 2.561 0 40 GFAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 48363207 UIRATWKTRFMIQU-STQMWFEESA-N 390.958 2.608 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1C 11546814 QRXUQPSLNPUIGF-OAHLLOKOSA-N 399.495 2.756 0 40 GFAB Cc1nc(C(=O)NCCc2cnn(-c3ccccc3)c2)nn1-c1ccc(F)cc1 11532370 LNFSIHMFPMTJOE-UHFFFAOYSA-N 390.422 2.873 0 40 GFAB COc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(C)=O)c2=O)cc1 46079136 SOHPHDULZNLDAR-UHFFFAOYSA-N 392.415 2.516 0 40 GFAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCCCC1)NC2=O 100181313 AHJAKLFIJVEYSA-WHZNHKCRSA-N 384.476 2.962 0 40 GFAB CC(C)CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 11829617 PXJHKUSMGVTCQX-HNNXBMFYSA-N 389.521 2.830 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2ccc(I)cc2)c(=O)[nH]1 12982587 AXGIRRFGDHBGDY-UHFFFAOYSA-N 397.216 2.563 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 28207442 GJLQGYZLASSDQD-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CC1=C(C(N)=O)[C@@H](c2ccncc2)N2NC(SCc3ccccc3F)=NC2=N1 4030400 BGGAUSZCNMCGOT-MRXNPFEDSA-N 396.451 2.500 0 40 GFAB CCc1nc2cc(S(=O)(=O)NCCCCN3C[C@@H](C)O[C@H](C)C3)ccc2o1 96007748 PWLSRWOULHZVNZ-HUUCEWRRSA-N 395.525 2.558 0 40 GFAB O=C(Cn1cnc2cc3c(cc21)OCCO3)NCc1c(F)cccc1Cl 64794881 MSCYVUFBZBIGTA-UHFFFAOYSA-N 375.787 2.916 0 40 GFAB CCOc1ncccc1CN[C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013559 DEAWWIKOPVZFGN-XLIONFOSSA-N 399.491 2.996 0 40 GFAB Cc1ccn2cc(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)nc2c1 5271912 UQFHZARBLQITDN-UHFFFAOYSA-N 375.392 2.511 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1Cl 5482524 DPJHZKQMKAHFMO-CYBMUJFWSA-N 375.277 2.976 0 40 GFAB O=C(Cn1nnc2ccccc21)NCCCn1nc(C(F)(F)F)cc1C1CC1 28233958 HBQYFWFQEZKGBV-UHFFFAOYSA-N 392.385 2.731 0 40 GFAB O=C(c1ccco1)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306144916 ZSCJDDWTPUIONU-ROUUACIJSA-N 379.391 2.942 0 40 GFAB CCc1nc(CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)cs1 66884645 XTLQQILLEBDWEW-UHFFFAOYSA-N 384.549 2.803 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1ccn(-c2ccccc2C)c(=O)c1=O 67320634 RLBYXPNIGMPEIZ-UHFFFAOYSA-N 377.444 2.817 0 40 GFAB CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 67494059 JPAYTHJOVMKTGO-HXUWFJFHSA-N 393.487 2.997 0 40 GFAB O=C(C[C@H]1C=CCC1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8133923 YBHVJUDTQQDMQY-INIZCTEOSA-N 375.428 2.870 0 40 GFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)c1nnnn1-c1ccccc1 71853558 CIBTZGIPAJDXCX-CQSZACIVSA-N 394.460 2.590 0 40 GFAB C[C@@H]1CCC[C@H](N(CC(=O)N2CCOCC2)Cc2ccc3c(c2)OCO3)[C@@H]1C 71856406 IFFDLLDLBFSSBX-LMMKCTJWSA-N 388.508 2.901 0 40 GFAB COc1ccc(CN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)c(OC)c1 17703604 DDLJNSGVLMRHNK-UHFFFAOYSA-N 381.432 2.532 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3sccc3C(N)=O)o2)cc1 8633553 SUESSTKUXVBZBY-UHFFFAOYSA-N 390.446 2.636 0 40 GFAB Cn1cnnc1CNC(=O)Nc1ccc(OC(F)(F)F)cc1Br 95975698 SUFJZWQSAMFFKM-UHFFFAOYSA-N 394.151 2.798 0 40 GFAB O=C1C[C@@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c2ccc(F)cc2N1 9958882 RSFPMCGLOQGXJU-MRXNPFEDSA-N 392.394 2.879 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1OC 408697265 IHKBKCGDKRDBOA-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)CN3CCOCC3)n2)c1C 36614238 ISQCIJNRZUIFTB-LBPRGKRZSA-N 380.443 2.739 0 40 GFAB Cc1c(NC(=O)c2ccc(Cn3ccnc3)cc2)c(=O)n(-c2ccccc2)n1C 38850196 FWMXNELCGVLUBL-UHFFFAOYSA-N 387.443 2.982 0 40 GFAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 30853017 PWHDUVDLHPEDIU-FQEVSTJZSA-N 392.565 2.920 0 40 GFAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NC(C)(C)C)n1 225894670 GUMONUNQQSWCIA-AWEZNQCLSA-N 392.573 2.777 0 40 GFAB COc1cccc(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)c1 224690416 IJINCICDLKPMGW-UHFFFAOYSA-N 380.510 2.858 0 40 GFAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1ccccc1F 222651714 AWMBLEBPYQHVOC-UHFFFAOYSA-N 390.480 2.957 0 40 GFAB O=C(NCCn1ccc2c(Cl)cccc21)[C@H](c1ccccc1)n1cnnn1 96118214 MWQGBHLNDVZVNR-SFHVURJKSA-N 380.839 2.687 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260079 LUQQFQQUSDKFAY-UHFFFAOYSA-N 385.445 2.704 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](N(C)Cc1cccnc1)CO2 96220885 BBMNTVDYPGICQV-GOSISDBHSA-N 384.480 2.582 0 40 GFAB CC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 514290020 REBRELQZLMTCTC-JENIJYKNSA-N 376.453 2.730 0 40 GFAB biogenic,in-vitro COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccco1)CC2 96061362 VIHCCJILYSGSAT-SFHVURJKSA-N 382.460 2.917 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc(F)cc1 96520147 KAGZJDPITWKEHS-VHSXEESVSA-N 392.617 2.621 0 40 GFAB CCc1ccc(N(CC(=O)Nc2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1 243994367 SEQHUBRIDGJJAF-UHFFFAOYSA-N 389.477 2.612 0 40 GFAB Cc1cccc(Nc2cc(C)nc(C3CCN(S(=O)(=O)N(C)C)CC3)c2)n1 257336232 YNPVIBFXVJLLJX-UHFFFAOYSA-N 389.525 2.823 0 40 GFAB CC(=O)N1[C@@H]2CN(C(=O)c3cccc(-c4cncnc4)n3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257255213 KGOORTURFGDFBK-QRXQEZHUSA-N 391.475 2.543 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCC[C@H]1[C@]3(C)C2 257339165 ZALJSLALSHYMGR-QRXQEZHUSA-N 386.492 2.773 0 40 GFAB Cc1cc(C(=O)N2CCC(c3c(C(=O)N(C)C)sc4nccnc34)CC2)no1 257302728 SEBSQAIJJCAXQJ-UHFFFAOYSA-N 399.476 2.709 0 40 GFAB C[C@]1(O)CN(CC(=O)N2CCc3ccccc32)CC[C@@H]1Oc1cccc(F)c1 257291618 QHWLEKFSNATYRB-UNMCSNQZSA-N 384.451 2.619 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc1 653535375 PZWQVRSNGAAWKL-BYCMXARLSA-N 382.482 2.737 0 40 GFAB COc1ccc(CNC(=O)NCCc2csc(-n3nc(C)cc3C)n2)cc1 90609373 SFMKUXJYQLGJMX-UHFFFAOYSA-N 385.493 2.996 0 40 GFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(CC1CC1)CC2 1549166497 FWPDOMCCMUPGCZ-HXUWFJFHSA-N 383.536 2.967 0 40 GFAB CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2)c1 5000807 RLNSPASDTKPANS-UHFFFAOYSA-N 382.449 2.742 0 40 GFAB Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)n1 5409725 UHPNALSZRWSUAF-UHFFFAOYSA-N 377.400 2.629 0 40 GFAB CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O 5706773 IZPLXRUAUHMTGJ-JKSUJKDBSA-N 396.509 2.650 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1 11658495 GDNTVHZJADVADU-NSHDSACASA-N 396.365 2.977 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NC[C@@H](c1cccs1)N(C)C)(C3)C2 12904438 KSJNSCXLBZJEMT-WGWNNVQWSA-N 389.565 2.942 0 40 GFAB CN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccccc1 13671838 MLWGKVCTZOZCNX-UHFFFAOYSA-N 397.294 2.878 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ccc(Br)cc2)c1 14851059 PCTKZFKKJBYOOC-UHFFFAOYSA-N 399.310 2.690 0 40 GFAB COc1cc(CN(C)CN2C(=O)NC3(CCCCC3)C2=O)ccc1OC(F)F 16354619 BBUZVMPTFRLANA-UHFFFAOYSA-N 397.422 2.941 0 40 GFAB O=C(c1cc[nH]n1)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19292541 XXFRUCKKBCOLQW-UHFFFAOYSA-N 389.463 2.856 0 40 GFAB CN1C(=O)[C@]2(N=C(N)NC(Nc3cccc(Cl)c3Cl)=N2)c2ccccc21 19330272 DVNRGNGNLHKJCU-KRWDZBQOSA-N 389.246 2.509 0 40 GFAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 19497940 BRKMZUWTHFBZSO-LIRRHRJNSA-N 378.476 2.765 0 40 GFAB CCCc1cc(C(=O)N2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)no1 19525361 POGBZTYCAJDYMR-IBGZPJMESA-N 397.479 2.689 0 40 GFAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C2CC2)C1 19578702 FGHAHYKYYRQISN-JOCHJYFZSA-N 381.476 2.991 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccccc1 19946089 LYQULSRSILACJV-UHFFFAOYSA-N 383.267 2.854 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3451212 RLFYIWOCOKHWKW-RUDMXATFSA-N 392.333 2.999 0 40 GFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)cc2n1 100138022 FVMVYQJYSOFWKY-QGZVFWFLSA-N 396.495 2.743 0 40 GFAB C[C@@H](O)[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938082 XTMIDCQCTISXHT-DUTTYOFASA-N 387.002 2.730 0 40 GFAB O=C(N[C@H]1CCC[C@@H]1CCO)N1CCOc2cc(Br)ccc2C1 664718930 LOOBBWVFBKCEJC-DOMZBBRYSA-N 383.286 2.904 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1cc2ccccc2[nH]1 5532389 KDUALOFLWKGGGE-UHFFFAOYSA-N 393.443 2.984 0 40 GFAB O=C(CCNS(=O)(=O)c1cccs1)OCc1nc2ccccc2s1 5971332 QLSPLWVUWHGPAB-UHFFFAOYSA-N 382.488 2.770 0 40 GFAB COc1ccc(NC(=O)CC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 6790828 IFNABQHAGCYPQX-UHFFFAOYSA-N 396.509 2.625 0 40 GFAB CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(Cl)cn2)CC1 1888897110 CTBCEFRJNDQYRC-UHFFFAOYSA-N 397.884 2.761 0 40 GFAB O=C1NCC2(CC=CCCOc3ccccc31)CCN(C(=O)c1ncc[nH]1)CC2 2037844537 WOAHZXUUQMBIRX-UHFFFAOYSA-N 394.475 2.791 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1cccc(OC)c1 4934962 HTZFWFSGIKLMEP-IBGZPJMESA-N 392.415 2.526 0 40 GFAB Nn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccnc1 5241960 KCYBVFGQHXVCJH-UHFFFAOYSA-N 394.382 2.804 0 40 GFAB Cc1ccc(C)c(-c2nnc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)o2)c1 10252750 QOQGIZZJADAEAK-UHFFFAOYSA-N 385.445 2.938 0 40 GFAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1 13695487 JDWUDICVQXQXHY-FQEVSTJZSA-N 380.444 2.945 0 40 GFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1=O 575614858 LBTSGMWZCINOHG-UHFFFAOYSA-N 393.369 2.559 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148298 XHUXCVIFKARINC-LJQANCHMSA-N 399.468 2.960 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)cc1 4317012 NDXGZOKTVTWNPT-UHFFFAOYSA-N 387.461 2.556 0 40 GFAB Cc1nccc(-c2ccc(-c3noc(CNCCCN4CCCC4=O)n3)cc2)n1 12185917 CFZGNIAZABJXDM-UHFFFAOYSA-N 392.463 2.604 0 40 GFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4)ncn3n2)cc1 21027357 WSYMWORMWJNGEU-UHFFFAOYSA-N 389.415 2.595 0 40 GFAB C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(F)cc1F 102173175 WKKXYIOHVIYEOU-SECBINFHSA-N 375.400 2.991 0 40 GFAB O=C(CSc1nc2ccccc2o1)NC[C@@H]1CN(Cc2ccccc2)CCO1 21586258 LHSMGEBOGWZFRD-QGZVFWFLSA-N 397.500 2.937 0 40 GFAB COc1ccc(C)cc1CCNC(=O)NCc1ccc(Cn2cncn2)cc1 32889774 PPIAVPGDHKLNTJ-UHFFFAOYSA-N 379.464 2.685 0 40 GFAB O=C(CN1CCN(C(=O)c2cccc3[nH]ncc23)CC1)Nc1ccccc1Cl 32809670 IGKBSRSFKCONGG-UHFFFAOYSA-N 397.866 2.613 0 40 GFAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 32947177 YGTRZMNUUUZGNO-ZDUSSCGKSA-N 376.478 2.925 0 40 GFAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)c1OC 102886402 SKYLPMMVVCJGCG-QFBILLFUSA-N 380.400 2.613 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCN(C)CC2)sc2c1CC[C@H](C)C2 22037153 WMFHFNDQFCIIRZ-UONOGXRCSA-N 393.553 2.624 0 40 GFAB CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nnnn21 956266 QDIMORMZKZBTJF-SFHVURJKSA-N 376.420 2.999 0 40 GFAB Cc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 1323007 ZLVLCDILEFVYCR-ZWCUEREDSA-N 380.444 2.667 0 40 GFAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 2145850 IWSBBCFFUAOWSK-VOJFVSQTSA-N 387.432 2.584 0 40 GFAB biogenic COCCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccncc1 2624736 KWLQGROICGCOIY-UHFFFAOYSA-N 383.477 2.742 0 40 GFAB COc1cc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1 3474190 PTXYXJQODUSIGV-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COc1ccc(C(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)c(OC)c1 3522721 PJUDEUQSAOMWCY-WOJGMQOQSA-N 383.400 2.607 0 40 GFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)ccc1O 4066253 OCLAEXSLUHQNJU-IBGZPJMESA-N 398.415 2.651 0 40 GFAB CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 4482077 HPWQLQGATHYDHY-UHFFFAOYSA-N 376.272 2.800 0 40 GFAB CCOc1cc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)ccc1O 4698620 AZXANITWMMENPY-UHFFFAOYSA-N 391.556 2.707 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccccc1 4778211 XBMOBQVVNINMKF-HNNXBMFYSA-N 376.478 2.502 0 40 GFAB CCOc1ccc(-n2ccnc(SCC(=O)NCCC(C)C)c2=O)cc1 4853223 SCUZWWVKQNYOIE-UHFFFAOYSA-N 375.494 2.886 0 40 GFAB COc1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 4933254 CRAKLQGTMKSHBY-UHFFFAOYSA-N 381.388 2.723 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 5252654 HOORWCCBXLPAAL-UHFFFAOYSA-N 387.461 2.512 0 40 GFAB CCc1nn2c(=O)cc(COC(=O)c3cccc(-n4cccc4)c3)nc2s1 5324920 RVKULJGREBRSGU-UHFFFAOYSA-N 380.429 2.861 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 5425819 BPGABISYRXUPAE-MRXNPFEDSA-N 376.503 2.904 0 40 GFAB O=C(c1cccc2c1C(=O)N(c1ccccc1)C2)N1CCC2(CC1)OCCO2 5428836 WCVVKNKAMVOJBM-UHFFFAOYSA-N 378.428 2.826 0 40 GFAB Cn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccncc1 5473879 LYBMLACDQHHSEC-QGZVFWFLSA-N 395.488 2.569 0 40 GFAB CCN(Cc1ccncc1)C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 5660089 JUZYXUCUQFLFNE-UHFFFAOYSA-N 378.523 2.551 0 40 GFAB O=C(CNc1cccc(F)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 6397386 MTIDMVGOEPFPLJ-UHFFFAOYSA-N 377.441 2.661 0 40 GFAB CCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2OC)c1 6602067 PIPBSNOVYFLGRW-AWEZNQCLSA-N 376.478 2.875 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2cccs2)cc1 7213642 UCWLVWNHYCMXKP-UHFFFAOYSA-N 378.397 2.519 0 40 GFAB C[C@@H](C(=O)N1CCCc2ccccc21)n1c(S(C)(=O)=O)nc2ccccc21 7735691 LTPPSQRHKBZYQR-AWEZNQCLSA-N 383.473 2.980 0 40 GFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)COc1ncnc2ccccc12 8342671 JJOVZBRKBCQKEK-UHFFFAOYSA-N 384.823 2.759 0 40 GFAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O 8878676 ZKTVWZBOJPSRDD-NRFANRHFSA-N 383.448 2.993 0 40 GFAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 9039519 JAPOPZWPJUWONW-AWEZNQCLSA-N 397.431 2.989 0 40 GFAB COc1cc(NC(=O)c2ccccc2NS(C)(=O)=O)c(OC)cc1Cl 9096300 VGHWNYDBIXZUAL-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)CNc2cccc(S(C)(=O)=O)c2)c1 10184858 WWXLAHCEJKDTNS-UHFFFAOYSA-N 392.477 2.938 0 40 GFAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10358338 LNFQCRGCBCRPBX-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB Cc1cc(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)ccc1F 11006581 OURICCSHYWPHOH-INIZCTEOSA-N 396.418 2.839 0 40 GFAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1cccs1 11027636 VERXQHMMAIJOFU-OAHLLOKOSA-N 378.519 2.998 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1C 12877647 ZJCWNHBUDLQXJL-UHFFFAOYSA-N 377.828 2.782 0 40 GFAB O=C(CSc1ccc(F)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 13013829 FQAWNDBQYIHMGU-CQSZACIVSA-N 383.466 2.727 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc2ccc(Cl)nn12 13098953 YDSVZDHTGZRBOP-UHFFFAOYSA-N 393.856 2.874 0 40 GFAB O=C(O)C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 13262570 WITZCUQPINOBNC-UHFFFAOYSA-N 382.663 2.588 0 40 GFAB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 13715986 VVDQBYDXLDCXPK-KRWDZBQOSA-N 376.453 2.960 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C[C@@H](C)O1 14121595 UXBMHCRFOPFONZ-HZSPNIEDSA-N 391.537 2.737 0 40 GFAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(CS(N)(=O)=O)cc3)cc2c1 14199209 OTTPYULEJKZPDT-UHFFFAOYSA-N 383.473 2.570 0 40 GFAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(CCOc2cccc(C)c2)C3)C1 19235201 YXHQXTQUDDXMFT-IBGZPJMESA-N 394.519 2.948 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3nc(C)n4ccsc34)C2)c1C 19524007 DLDMALPYHRNCEL-CQSZACIVSA-N 393.538 2.797 0 40 GFAB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@@H]21 19585485 YYVYQVXDOZCAFN-ZWCUEREDSA-N 382.508 2.671 0 40 GFAB CNc1cc(C2CCN(Cc3ccc(OC)cc3)CC2)nc(CN(C)C(C)=O)n1 19710102 GKQUFTXAHSBTHE-UHFFFAOYSA-N 397.523 2.885 0 40 GFAB Cc1nc(N)nc(C)c1CCC(=O)N1CCN(Cc2ccccc2Cl)CC1 19719216 SQWCVKIIEHBEDV-UHFFFAOYSA-N 387.915 2.606 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(CCc2ccccn2)CC1 20718650 KGRSWFXCZKCZEY-HXUWFJFHSA-N 382.439 2.688 0 40 GFAB COc1ccccc1OCC(=O)Nc1ccnn1Cc1cccc(OC)c1OC 21677783 YYZISGLIWRRFQV-UHFFFAOYSA-N 397.431 2.975 0 40 GFAB COc1ccc(CN(C)CCS(=O)(=O)Oc2ccccc2)c(OC)c1OC 23296065 FNDSFXUABVYVAO-UHFFFAOYSA-N 395.477 2.553 0 40 GFAB CC(C)Nc1nn(CN2CCN(C(=O)c3ccccc3)CC2)c(=S)s1 23466445 QKERZEFXAFCPIU-UHFFFAOYSA-N 377.539 2.910 0 40 GFAB C/C=C/c1ccc(OCC(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)c(OC)c1 24778403 GOTKMUHWIGQBGK-QTWIXLPOSA-N 394.471 2.807 0 40 GFAB O=C1COc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2N1 25694848 QBDRWZCJZZNTIS-UHFFFAOYSA-N 389.252 2.642 0 40 GFAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 27294630 BLXDZCRLODTQJE-INIZCTEOSA-N 398.459 2.742 0 40 GFAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@H](c1ccccc1Cl)N(C)C 32841406 RBEBZQSSXTYOEP-CQSZACIVSA-N 388.855 2.521 0 40 GFAB CCN(CC(=O)NCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 35310645 OFAFUTNYKSFHGC-UHFFFAOYSA-N 384.867 2.715 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 36091141 WAKXFFGOLYIAHU-LJQANCHMSA-N 375.494 2.535 0 40 GFAB CC(=O)Nc1cccc(OCc2noc(C(=O)NCCc3ccccc3)n2)c1 40286689 QSZAEXPWUKYALP-UHFFFAOYSA-N 380.404 2.580 0 40 GFAB Cc1cc(N2CCOCC2)ccc1NC(=O)CCS(=O)(=O)C1CCCC1 48265137 VCIFOSQELCSCTG-UHFFFAOYSA-N 380.510 2.518 0 40 GFAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 48363210 UIRATWKTRFMIQU-OLZOCXBDSA-N 390.958 2.608 0 40 GFAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)Nc1cccc2nsnc12 49026264 UZQAPAULLWJIEM-UHFFFAOYSA-N 389.387 2.850 0 40 GFAB CCCCC[C@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 49574784 RZYDMQDCRCMWJW-KSSFIOAISA-N 384.480 2.716 0 40 GFAB CCOc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)cc(Br)c1OCC 62715246 MBUJGUXPSZWBTK-VQCYPWCPSA-N 386.242 2.849 0 40 GFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2)n1 63293506 VHKLZMZRHKALBM-MRXNPFEDSA-N 396.491 2.969 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccnc(N(C)C)c2)cc1C 68113276 AEHCSZBGYJOVCD-KRWDZBQOSA-N 384.505 2.918 0 40 GFAB COCc1nnc(NC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)s1 70666266 OTASTXNUPPIJIO-UHFFFAOYSA-N 389.433 2.679 0 40 GFAB biogenic O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)COCc2ccccc2F)CC1 70869203 ILKHSKYEHWSSON-SFHVURJKSA-N 399.466 2.683 0 40 GFAB COc1cccc(CC(=O)OCC(=O)NCc2ccccc2Br)c1 71760486 ZQRAFVPCXXBZLR-UHFFFAOYSA-N 392.249 2.860 0 40 GFAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72403397 IWRXYXNHWGKRTG-HNNXBMFYSA-N 382.445 2.981 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc(C(C)(C)C)cs1 79484991 IOCOAGMCGYPZHT-LBPRGKRZSA-N 396.538 2.866 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096633 FEXNZYQJBYXEHX-CQSZACIVSA-N 398.488 2.692 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc4c(c3)COC4=O)cc2O1 96115060 VMQPKLYZWOXQOJ-UHFFFAOYSA-N 397.383 2.824 0 40 GFAB biogenic COc1ccc(F)cc1S(=O)(=O)NCC1(OC)C2CC3CC(C2)CC1C3 96123890 JHGVOQDDDZXDPJ-UHFFFAOYSA-N 383.485 2.954 0 40 GFAB Cc1ccccc1NC(=O)N1CC[C@@]2(COCc3c(C)nc(N(C)C)nc32)C1 96244429 NGFTVHQJXBEKHW-NRFANRHFSA-N 381.480 2.865 0 40 GFAB C[C@@]1(CNC(=O)CNC(=O)/C=C/c2ccco2)CCCN1Cc1ccccc1 97165430 DPCBYOCUQOLQGL-NEQMZLFVSA-N 381.476 2.580 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(N2CCCC2)c(F)c1 100773959 FGISRWSHWNERPX-WZBLMQSHSA-N 399.466 2.786 0 40 GFAB CCc1ncc2c(n1)CN([C@@H](C)C(=O)Nc1ccc3c(c1)OCCCO3)CC2 106374352 QAERUWAWVWMPEZ-AWEZNQCLSA-N 382.464 2.586 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)N1CCCC[C@H]1c1ncc[nH]1 106538001 FSZMMYVIEZMSOX-IBGZPJMESA-N 383.496 2.679 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 206909426 KHENEYZEEQJVHN-HLLBOEOZSA-N 391.493 2.528 0 40 GFAB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220611672 ANXAWNPAOPGWOJ-GOSISDBHSA-N 392.477 2.887 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252517031 ZBFDNCIXENKZHR-JZXOWHBKSA-N 380.849 2.997 0 40 GFAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 409150498 CCYCBWFRWPUJPH-UHFFFAOYSA-N 399.451 2.615 0 40 GFAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)O)CC2 568474150 HRNTXIANIKQRTE-OXJKWZBOSA-N 397.397 2.620 0 40 GFAB CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)ccc1Cl 574046528 MGSIMWLIRUUYTA-GXTWGEPZSA-N 384.885 2.776 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCc3cn(-c4ccsc4)nn3)CC2=O)cc1C 575618776 ORHAXJJQWFBWBJ-OAHLLOKOSA-N 395.488 2.615 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCC[C@H](CCO)c2cccs2)cc1 575619410 DVMLGECBFRLGDH-MRXNPFEDSA-N 395.546 2.757 0 40 GFAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3cccs3)[C@H]3OCC[C@@H]32)c1 585109366 MALDEAUCLDYCOJ-GBESFXJTSA-N 384.501 2.911 0 40 GFAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(C(=O)Cn3ccnc3C)CC2)c1 585270950 CSXZBHQHYRPYEX-FQEVSTJZSA-N 391.899 2.976 0 40 GFAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)/C=C/c2ccco2)n1 585291878 GSHKKWKKYJSIPR-LXXRFIIISA-N 376.420 3.289 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1Cc2cc(F)ccc2O1 607108164 RTBLIOUDFICHMZ-NRFANRHFSA-N 396.462 2.869 0 40 GFAB CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1O 632137526 OGYUCMXXCXPNTJ-JSGCOSHPSA-N 388.917 2.607 0 40 GFAB COc1ccc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)cc1-n1nnnc1C1CC1 659122555 DQXULCNUUCEAII-UHFFFAOYSA-N 397.435 2.522 0 40 GFAB CC[C@H](C)[C@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cnnn1 1615152092 RSYJGTRUMYZKGJ-KPZWWZAWSA-N 386.431 2.947 0 40 GFAB CCOc1ncccc1C(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888875907 GESISFHJCVOCLL-IYBDPMFKSA-N 395.507 2.776 0 40 GFAB Cc1nc(N2C[C@@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)c2ccncc2n1 1888910675 MWHRWYYQXCMAQK-XOBRGWDASA-N 380.427 2.948 0 40 GFAB Cc1ccncc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037989018 RMPUTSZQBLYFNQ-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 2055746373 VITCUGFSNUKAIL-KKUMJFAQSA-N 398.481 2.590 0 40 GFAB Cc1cccc(CN2CCC3(CC[C@@H](CNC(=O)Cc4cn[nH]c4)OC3)CC2)c1 2056225466 MNMFMJBNBHZLQD-NRFANRHFSA-N 396.535 2.838 0 40 GFAB COc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1OC 809682 SCBAGGNMECLOQD-UHFFFAOYSA-N 396.491 2.998 0 40 GFAB CN(C)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 895001 QSYWGERSDBBWQA-SFHVURJKSA-N 389.249 2.928 0 40 GFAB COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 2224608 YASPTCOJGZDMMN-KRWDZBQOSA-N 383.473 2.652 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 3322219 LVFKUJGJXWMUHH-QFIPXVFZSA-N 391.427 2.611 0 40 GFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCc1cccs1 3602487 QCUZFKSSPFXDAN-UHFFFAOYSA-N 375.431 2.935 0 40 GFAB Cc1ccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1 4158629 KEGFABWESCPQTI-KRWDZBQOSA-N 379.503 2.686 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(O)c1 4279879 AEUUTSSAZXRBIT-GOSISDBHSA-N 377.404 2.920 0 40 GFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 4472206 MXZQWAHKDRKXJC-GMROUXNLSA-N 395.433 2.700 0 40 GFAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C)c4)nc32)cc1 4518737 XBWMUOMZHYAMKZ-UHFFFAOYSA-N 389.415 2.582 0 40 GFAB CCOC(=O)c1ccc(NC(=S)N2CCCC[C@H]2CCNC(C)=O)cc1 4708534 OKEISLHZXPEYKE-KRWDZBQOSA-N 377.510 2.941 0 40 GFAB Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1 4814933 WLRQREXRZZLTGH-UHFFFAOYSA-N 399.476 2.686 0 40 GFAB Cc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1 5262205 DAFGFNPQASGAQI-UHFFFAOYSA-N 381.885 2.949 0 40 GFAB COc1cc(OC)c(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc1Cl 5268685 BECVUWASZHQKGN-JTQLQIEISA-N 388.811 2.662 0 40 GFAB Cc1cc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)no1 5398058 YKYZWYRAOANKPF-UHFFFAOYSA-N 389.209 2.608 0 40 GFAB CCCCN(C(=S)Nc1cccc(C)c1)c1c(N)n(CCC)c(=O)[nH]c1=O 5688901 VPSJVLHRTZURRI-UHFFFAOYSA-N 389.525 2.841 0 40 GFAB COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 6055448 GLLLIBBBQUXJQM-UHFFFAOYSA-N 388.445 2.530 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1ccc(F)cc1 6112321 DDIHMIYVTGOTEO-UHFFFAOYSA-N 390.212 2.615 0 40 GFAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccc(C(N)=O)cc1 6129282 SWILVPLYRMKLIU-NSHDSACASA-N 385.424 2.625 0 40 GFAB CSC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 6452241 FIKUITCVMVMMMP-CQSZACIVSA-N 389.429 2.631 0 40 GFAB biogenic COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NC(=O)NC(C)(C)C)n1 6503540 DGIYEVYBVIMTSG-UHFFFAOYSA-N 397.888 2.850 0 40 GFAB CCn1cc(C(=O)OCC(=O)Nc2cccc(C)c2)c(=O)c2ccc(C)nc21 6635235 YYAQCAFVLSEWGB-UHFFFAOYSA-N 379.416 2.829 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccccc3)s2)cc1 6817755 XGXKLVSJANJHDW-UHFFFAOYSA-N 388.474 2.577 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684597 VNVPTJXZIJDQLU-QGZVFWFLSA-N 384.480 2.974 0 40 GFAB COCCN1C(=O)S/C(=C\c2ccc(I)o2)C1=O 8104391 RVDJPJFBYMBGSS-VURMDHGXSA-N 379.175 2.567 0 40 GFAB Nc1cc(N)nc(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)n1 8458449 GLHFXNAGVDPYBL-OAHLLOKOSA-N 393.472 2.900 0 40 GFAB COc1cc(OC)c2c(C)c(CC(=O)N(C)CCc3ccccn3)c(=O)oc2c1 8764493 NHRODUFZJSJNJF-UHFFFAOYSA-N 396.443 2.757 0 40 GFAB biogenic C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 8878707 GHVFAIDHZPDGTD-MWLCHTKSSA-N 385.852 2.764 0 40 GFAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)Nc1ccc2c(c1)OCCO2 8991618 PNJKFMFAWAZECD-UHFFFAOYSA-N 391.840 2.898 0 40 GFAB CCOC(=O)[C@@](NC(=O)N(C)C)(Nc1nc2ccccc2s1)C(F)(F)F 8997156 NKIOLFUPJBJTGM-AWEZNQCLSA-N 390.387 2.801 0 40 GFAB COCCNC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(OC)cc3)nc21 9100640 HYVZORBWDXHLKV-AWEZNQCLSA-N 389.477 2.587 0 40 GFAB CN(C(=O)Cn1c(-c2ccccc2)cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 9157753 KDPLSAJFIJJCHI-GOSISDBHSA-N 382.485 2.954 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)COc1cccc(N2CCCC2=O)c1 11658982 UJYKPWIKNKJFHU-UHFFFAOYSA-N 397.431 2.798 0 40 GFAB COc1cccc2s/c(=N/C(=O)c3ccc(N4C(=O)CCC4=O)cc3)n(C)c12 11847459 HXQJHJWSKKMQAS-QZQOTICOSA-N 395.440 2.643 0 40 GFAB Cc1nc2sc3c(c2c2nn(CC(=O)N4CCCCC4)c(=O)n12)CC[C@@H](C)C3 12132264 DNJXLUKEYFILET-GFCCVEGCSA-N 399.520 2.551 0 40 GFAB COc1ccc([C@@H]2CN(C(=O)c3ccc4nsnc4c3)C[C@H]2C(=O)O)cc1 12181375 KFJOFVMVJVGCCR-LSDHHAIUSA-N 383.429 2.640 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3)n2)s1 12181714 CTUCIFPCWIVMMU-CQSZACIVSA-N 382.489 2.782 0 40 GFAB COc1ccccc1C1(O)CCN(CCNC(=O)c2c(F)cccc2F)CC1 12290982 ONUZQLBOEHQCNI-UHFFFAOYSA-N 390.430 2.687 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NC(=O)c2cc3cc(OC)ccc3n2C)c1 12324933 WNXCKLOWAORUCI-ZDUSSCGKSA-N 381.432 2.953 0 40 GFAB Cn1c(=O)n(C)c2cc(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)ccc21 12336872 DPIZOTPJAVVIPO-UHFFFAOYSA-N 393.443 2.805 0 40 GFAB COc1cccc(CC(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)c1 12365725 RCRIDYWKEFNZPD-IBGZPJMESA-N 387.505 2.810 0 40 GFAB O=C1N[C@H](c2ccc(O)cc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 12377926 JIAMXIWSZJUDBV-ZOWXZIJZSA-N 386.351 2.558 0 40 GFAB COc1c(C)cnc(Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1C 12463237 SAPQBUUOJLFCSQ-UHFFFAOYSA-N 388.427 2.616 0 40 GFAB CCOc1ccc2nc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)sc2c1 12538631 SMNCQQMMHUVMKD-UBHSHLNASA-N 399.472 2.973 0 40 GFAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc(-n4cnnn4)c3)c2C1 12772848 FLDUBPCTICWBKZ-UHFFFAOYSA-N 399.458 2.841 0 40 GFAB CC(=O)N[C@@H](CC(=O)NCCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 12891451 TUOVDCUPBTUBTH-KRWDZBQOSA-N 388.851 2.995 0 40 GFAB CC(C)CCc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 12909890 MYYAZUGVPFIBPY-LJQANCHMSA-N 388.489 2.717 0 40 GFAB CC[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 12911446 AIMJIGBFBXQRLT-QGZVFWFLSA-N 385.489 2.691 0 40 GFAB CCOCCCNC(=O)NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12930245 VTTNSISIXAFHMG-SFHVURJKSA-N 393.484 2.819 0 40 GFAB C[C@@H](C(=O)NCc1ccc(Cn2cccn2)cc1)n1c(=O)oc2ccccc21 12984464 KKGIIHKCTKVQNA-HNNXBMFYSA-N 376.416 2.717 0 40 GFAB Cc1cc2ncn(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2cc1C 13059103 QTXDJHKSVSODPT-UHFFFAOYSA-N 384.505 2.617 0 40 GFAB COC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc(C)c1C 13137420 DLSBLAMDKVBBPA-CHWSQXEVSA-N 392.477 2.655 0 40 GFAB C[C@H]1CN(C[C@@H](O)COc2c(F)cc(Br)cc2F)C[C@@H](C)O1 13301832 MEDVQDWRNABAKE-JFGNBEQYSA-N 380.229 2.576 0 40 GFAB O=C(CNC(=O)COc1ccc2oc3c(c2c1)CCCC3)NCc1ccco1 14181520 PKBOIEHQUGUWQE-UHFFFAOYSA-N 382.416 2.716 0 40 GFAB CSc1ccc([C@@H]2N=C(NCc3ccccn3)Nc3nc(C)cc(=O)n32)cc1 14607552 IPJRTDIIOGJXBC-GOSISDBHSA-N 392.488 2.787 0 40 GFAB COc1cccc(CN(C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 14921836 NUUOWTAMZPVDTD-AWEZNQCLSA-N 399.447 2.635 0 40 GFAB CC(=O)c1csc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)n1 15575829 XWPXGMBTRMPGSM-UHFFFAOYSA-N 384.413 2.958 0 40 GFAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15686310 MFQDCAIXNTVMBR-INIZCTEOSA-N 388.489 2.507 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)s1 19559990 ONBKAYOOUNOURE-AWEZNQCLSA-N 381.461 2.535 0 40 GFAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)Cn4cncn4)C3)noc2n1 19568736 DZNNAQOZUAJEOE-LLVKDONJSA-N 394.357 2.548 0 40 GFAB Cc1oc2c(c1C(=O)N1CC[C@@H](c3nn(CCN)c4ncccc34)C1)CCCC2 19581179 VMRXFTAXMJCVGL-OAHLLOKOSA-N 393.491 2.800 0 40 GFAB COc1ccc(CN2CCC(c3nc(O)c4c(n3)CN(C)CC4)CC2)cc1OC 19590752 VQDICSFQGSHRSG-UHFFFAOYSA-N 398.507 2.567 0 40 GFAB Cc1nccn1[C@@H](C)CC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 19746118 CWWVLQPMTNVULF-ZDUSSCGKSA-N 384.415 2.756 0 40 GFAB CCOC(=O)c1cnc(S[C@H](C)C(=O)N2CCCc3ccccc32)nc1N 21871726 WPCQJSBAKXSRIG-GFCCVEGCSA-N 386.477 2.696 0 40 GFAB FC(F)(F)c1cnc(SCCNc2ccc3nnnn3n2)c(Cl)c1 22202738 MXCMKYINBTVITI-UHFFFAOYSA-N 375.767 2.791 0 40 GFAB CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 22246979 SFRRHBWAQPQLLM-GOSISDBHSA-N 378.469 2.584 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 23003045 GMXDHZHJFGEYCE-UHFFFAOYSA-N 382.395 2.901 0 40 GFAB COC(=O)CNC(=O)c1ccc(NC(=O)Cc2c(C)[nH]c3ccccc23)cc1 24764885 IAIBBTMWRPSRCD-UHFFFAOYSA-N 379.416 2.560 0 40 GFAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 25369191 FPPOMVLJEHXKFW-UHFFFAOYSA-N 383.267 2.952 0 40 GFAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 28809877 IIMHFLLALKOUOG-FPYGCLRLSA-N 383.328 2.907 0 40 GFAB COC(=O)c1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc(=O)[nH]c1C 31618312 HSEOAFGDMBIWFC-UHFFFAOYSA-N 375.450 2.521 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1=O 32772892 ZBAOYXOASNXISM-ZFWWWQNUSA-N 393.443 2.960 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 32797421 IRJMABGGLQIMHB-UHFFFAOYSA-N 399.466 2.840 0 40 GFAB CCOc1ccc(-n2ncc(C(=O)OCc3cc(F)ccc3OC)c2C)nn1 32899351 YWRHIUGHAWYTLA-UHFFFAOYSA-N 386.383 2.874 0 40 GFAB O=C(NCCNC(=O)c1ccc2[nH]cnc2c1)c1ccc(C(F)(F)F)cc1 32909881 USMGUBJBBHGPHR-UHFFFAOYSA-N 376.338 2.742 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc3ccccc23)s1 32937736 LMQQGWYHIJSTJG-UHFFFAOYSA-N 375.475 2.913 0 40 GFAB CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614754 ZAIXHEAOHYRQTK-UHFFFAOYSA-N 390.509 2.549 0 40 GFAB O=C(CSc1nnnn1C1CCCC1)NCCSCc1ccccc1 40002676 PMVKOBUJYQBJKL-UHFFFAOYSA-N 377.539 2.930 0 40 GFAB O=C(NCCCN1CCc2ccccc21)[C@H]1CC(=O)N(c2ccccc2F)C1 40060565 JHHPPBWUCSEELP-KRWDZBQOSA-N 381.451 2.748 0 40 GFAB CCN(CC)CCCNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120077 PNVFBOMEBWJGRZ-INIZCTEOSA-N 399.457 2.902 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCO4)CC2)c(C)o1 42382541 NXDFPMFWZKWZCQ-MSOLQXFVSA-N 396.443 2.713 0 40 GFAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 44914566 QYNRKTDUNSZQSK-KRWDZBQOSA-N 378.900 2.964 0 40 GFAB CCc1ccc(-c2noc(CN3Cc4ccccc4C[C@@H]3C(=O)NC)n2)cc1 45737070 HFRXBMNNNLAYPP-LJQANCHMSA-N 376.460 2.972 0 40 GFAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 48376569 PUVKKEUNEMNEKW-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB O=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)Nc1ccccc1Cl 57940776 PIHIYDCKGGJMEC-UHFFFAOYSA-N 397.866 2.613 0 40 GFAB CCn1c(CNC(=O)CCNC(=O)c2ccccc2OC)nc2ccccc21 57995896 NMTQKTLLSBDNAT-UHFFFAOYSA-N 380.448 2.501 0 40 GFAB O=C(NCc1cc(F)ccc1Br)c1n[nH]c(=O)c2ccccc12 59420314 GGLWPUFULHGERS-UHFFFAOYSA-N 376.185 2.755 0 40 GFAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccccc2Br)c1 65550796 WTGIRUZVKPLDKV-UHFFFAOYSA-N 386.223 2.962 0 40 GFAB COc1ccc(-c2nc(Cc3cc(OC)c4c(c3OC)OCO4)no2)cc1O 66088598 ITCATSBPYWBLID-UHFFFAOYSA-N 386.360 2.788 0 40 GFAB Cc1c(C(=O)NCCN2CCC[C@@H](C)C2)nnn1-c1cccc2cccnc12 67137340 IUAWBGUPCGUJJK-OAHLLOKOSA-N 378.480 2.586 0 40 GFAB Nc1ccc2c(c1)C=NCCN2C(=O)c1ccc(I)cc1 73642228 HBMDSWBZRILZPQ-UHFFFAOYSA-N 391.212 2.953 0 40 GFAB COc1ccc(CCS(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1 77099523 LOMJXCZNDCXSED-SFHVURJKSA-N 381.519 2.516 0 40 GFAB C[C@H]1CN(c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@@H](C)O1 84713854 KYBWEQXGFHZWMO-SOLBZPMBSA-N 385.508 2.887 0 40 GFAB O=C(NCCc1nc(-c2cccs2)c[nH]1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 90606946 PORYGZANBWVQTR-ZDUSSCGKSA-N 398.463 2.989 0 40 GFAB CC(C)(C)[C@H](NS(=O)(=O)c1ccccc1Cl)c1nc(-c2nc[nH]n2)no1 95432606 XWLHYKCCVHYOHY-LLVKDONJSA-N 396.860 2.574 0 40 GFAB Cc1ccn2ncc(C(=O)NCC3(N[C@H](C)c4ccccc4)CCOCC3)c2n1 95959163 WVGHFLOHROLWDX-QGZVFWFLSA-N 393.491 2.668 0 40 GFAB 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)N3[C@@H]4CCC[C@H]1[C@]23O4 96023615 RRHMLMRBONYJOT-SVRYCYPKSA-N 389.492 2.699 0 40 GFAB biogenic N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1N1CCCCC1 104081176 HESQPLIUTFWITD-LSDHHAIUSA-N 385.942 2.984 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1C 107795619 PLERAZJYZNQINH-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1ccc2c(c1)OCO2 206680032 GTMYLQHILGFDSC-UHFFFAOYSA-N 398.396 2.556 0 40 GFAB COc1ccc(C(=O)NC(C)C)cc1CN(C)S(=O)(=O)c1ccccc1 224765440 XFDSNQTTZWAPQE-UHFFFAOYSA-N 376.478 2.654 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 225145807 MHHCCKLVUQCBHE-KRWDZBQOSA-N 380.897 2.931 0 40 GFAB O=C(NCCc1ccccc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729717 IEOPGDBWFFPHLP-UHFFFAOYSA-N 379.386 2.570 0 40 GFAB COc1ccc(CC(=O)NCC2CCN(C3CCSCC3)CC2)cc1OC 238961281 YMLTVBAKYGROLA-UHFFFAOYSA-N 392.565 2.970 0 40 GFAB COCCc1nnc(NC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)s1 247819443 CLPCSHHQZOPHJC-XZVYQEECSA-N 399.472 2.726 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1F 253471988 HICFRKOWXMQBOL-MRXNPFEDSA-N 385.413 2.834 0 40 GFAB CC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cccc(OC)c4OC(C)(C)[C@@H]3C[C@H]2C1 257200787 AEWYPMIBGWAFKD-AUIAMIIESA-N 388.508 2.898 0 40 GFAB CNC(=O)c1sc2nc(C3(C)CCN(C(=O)C4CCC4)CC3)ccc2c1N 257252231 JUAMGJZMMCOUDX-UHFFFAOYSA-N 386.521 2.918 0 40 GFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)n1 257286477 PLSGYEXSHTVCOW-WKILWMFISA-N 381.480 2.586 0 40 GFAB Cc1ncsc1CN1CCCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257296561 RDIMPDZYBJJEOC-OAHLLOKOSA-N 384.509 2.923 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 306133494 MNHBXLLTYBFMPY-FPOVZHCZSA-N 377.469 2.899 0 40 GFAB NC(=O)C1CCN(C(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)CC1 408676405 NQIHLBZDXQCDPX-UHFFFAOYSA-N 393.418 2.652 0 40 GFAB CN(C)c1ccc(NC(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)cc1 408976776 TUZVGTUJMFANTC-UHFFFAOYSA-N 387.399 2.596 0 40 GFAB Cc1cccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 409025537 WTQRVFPISMHREG-UHFFFAOYSA-N 384.567 2.943 0 40 GFAB O=S(=O)(c1c[nH]c2ncccc12)N1CCC[C@@H]1COc1ccc(F)cc1 510784239 TUAUUMWWLZXRDA-CQSZACIVSA-N 375.425 2.934 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@H]1CC12CCOCC2 562586380 QSAMFKPLZBOGBV-KRWDZBQOSA-N 395.525 2.715 0 40 GFAB CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 573466828 SXLOUXHSPPFYHD-BHIYHBOVSA-N 385.464 2.586 0 40 GFAB O=C(NCc1nc(C2CCSCC2)no1)c1ccc(Cn2ccnc2)cc1 575614936 AGDHTGCJNBVESV-UHFFFAOYSA-N 383.477 2.855 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCCO2)C1 585079881 TWZCSSPUJXQPAL-ROUUACIJSA-N 389.496 2.846 0 40 GFAB Cc1nnc(N2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)n1C 640543567 BQXPIYDYEBXGQH-UHFFFAOYSA-N 391.475 2.665 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615119344 FSYRGRHCERDYIE-QFIPXVFZSA-N 398.434 2.629 0 40 GFAB CCn1nc(C)c(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1C 1615153124 BMTSFGSMOVWYHK-UHFFFAOYSA-N 396.491 2.558 0 40 GFAB COc1cccc(CC(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)c1 1888882032 XCFXURSYKMIAAJ-HDICACEKSA-N 394.519 2.920 0 40 GFAB O=C(c1csc(-c2ccccc2)n1)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888913968 JEFURZDGMWLLHM-HOTGVXAUSA-N 377.473 2.809 0 40 GFAB Cc1cc(Br)cnc1N1CCC(N(C)S(=O)(=O)C2CC2)CC1 2086968281 YCNAYNQHLJKTLJ-UHFFFAOYSA-N 388.331 2.545 0 40 GFAB FC(F)(F)c1cc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)ncn1 2086988551 AWLMASHCBBEPMJ-UHFFFAOYSA-N 387.369 2.674 0 40 GFAB O=C(Nc1ccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)cn1)C1CC1 2298055247 UPHXAKQDMDWWKH-UHFFFAOYSA-N 378.480 2.814 0 40 GFAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N[C@@H](C)c4ccccn4)C3)nc2)n1 77100775 NDGVBTQLLTYEOJ-YOEHRIQHSA-N 392.463 2.929 0 40 GFAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccccn1 9015930 ZGUYTTMOZRBJOR-UHFFFAOYSA-N 388.474 2.728 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2cn(C)c3ccccc23)N2CCOCC2)cc1 12538001 UQKNYDFNESOIFU-JOCHJYFZSA-N 393.487 2.990 0 40 GFAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2CC(N)=O)c(C)c1 23348078 QGQBIMPPWVGPBQ-UHFFFAOYSA-N 399.476 2.679 0 40 GFAB O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N[C@@H]1CCC[C@H]1n1ccnc1 79023562 NXXZLMVMWMDBKZ-IAGOWNOFSA-N 386.427 2.802 0 40 GFAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)NCc1ccncc1 79075538 GHPKRQFRGGACJI-ZFWWWQNUSA-N 378.473 2.641 0 40 GFAB COc1ccc2c(ccn2CCC(=O)N2CCN(CCc3ccccn3)CC2)c1 79483057 UITCJHIHFYRQEI-UHFFFAOYSA-N 392.503 2.822 0 40 GFAB C[C@H](OC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(=O)NC(C)(C)C 23551645 GFIVFYMPYDQDIN-AWEZNQCLSA-N 380.448 2.940 0 40 GFAB COc1ccccc1N1C[C@@](O)(c2ccc3c(c2)OCCO3)[N+]2=C1CCCC2 2966242 TUUMIVYBIOSJRJ-JOCHJYFZSA-N 381.452 2.727 0 40 GFAB Cc1cccc2c(=O)[nH]c(CNc3ccccc3C(=O)NC[C@H]3CCCO3)nc12 12526488 VSGODRFMHHVWND-OAHLLOKOSA-N 392.459 2.752 0 40 GFAB C[C@H](OC(=O)c1cccc(N2CCCC2=O)c1)C(=O)NCc1ccc(F)cc1 24196841 YOOOIAWEQCLQGA-AWEZNQCLSA-N 384.407 2.814 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 7523321 XGENIWKECPBTMA-INIZCTEOSA-N 397.450 2.893 0 40 GFAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCN(c2ccccc2)C1 24814085 HRYOSLQEVSYMFM-INIZCTEOSA-N 377.448 2.707 0 40 GFAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1 100213877 BEWBWXLASTUAKF-IYBDPMFKSA-N 379.464 2.994 0 40 GFAB COc1ccc(OCCN(C)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 25052276 ZALULSWROOFOKC-LJQANCHMSA-N 382.460 2.955 0 40 GFAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 107334559 DKPAXGFBBYDTEP-DSJMHWKBSA-N 377.460 2.540 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12604573 YVPIVLUPGDVPNS-AWEZNQCLSA-N 396.415 2.674 0 40 GFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cc2ccccc2[nH]c1=O 71283330 ZELKKHYTCKWQMH-ZDUSSCGKSA-N 380.404 2.720 0 40 GFAB COc1cccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)c1 57364666 RGFOKENQLPNUBM-UHFFFAOYSA-N 397.475 2.617 0 40 GFAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccn2)sc(C(=O)NC)c1C 57860855 IRNGIVZUTXXOSS-UHFFFAOYSA-N 381.841 2.894 0 40 GFAB O=C(NCc1nnc2ccccn12)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 9377180 MRTYGBMAXVZIPE-INIZCTEOSA-N 385.427 2.552 0 40 GFAB C[C@@H](NC(=O)c1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 10027910 GKTQVHFLITYRLN-MRXNPFEDSA-N 394.475 2.618 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 12789498 YAJPSFKNHRHVLT-IBGZPJMESA-N 393.487 2.695 0 40 GFAB CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 3351206 BBXKEEQMFLOBGQ-UHFFFAOYSA-N 398.834 2.848 0 40 GFAB CCN(CC)CCCNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2190701 IBULCQSPKCOINB-UHFFFAOYSA-N 375.542 2.503 0 40 GFAB Cn1cnc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1Cl 27959409 DUOBPUSKEPXYPI-LLVKDONJSA-N 375.903 2.505 0 40 GFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCc2ccsc2)CC1 48363141 GAZGOYLGRRJLGX-OAHLLOKOSA-N 389.496 2.991 0 40 GFAB COc1cccc2c1N(Cc1nnc3n(C)c(=O)c4sccc4n13)CCC2 48374624 UYZNGEYZDLYJAC-UHFFFAOYSA-N 381.461 2.604 0 40 GFAB CC(C)(C)CCN1CCN(C(=O)NCc2ccccc2N2CCOCC2)CC1 62560870 XGIGAIKPLYFHBW-UHFFFAOYSA-N 388.556 2.787 0 40 GFAB Cc1ccn(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)/c(=N/C2CCCCC2)c1 10799845 ZIBOKJSJYOGYSO-UQOVRSCUSA-N 381.476 2.621 0 40 GFAB CCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 3486935 WTSMRPAMWPTNEQ-UHFFFAOYSA-N 396.476 2.576 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccccc1 10280867 DGWKJBKGUXLSGN-UHFFFAOYSA-N 396.509 2.641 0 40 GFAB COc1cc(CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc(OC)c1 56419257 LLXYJFBNXPIBRV-UHFFFAOYSA-N 386.448 2.989 0 40 GFAB CCOc1ccc(OCC)c(NC(=O)Cn2cnc3cc(F)ccc3c2=O)c1 11349098 ZJKCEWAWYVFDBM-UHFFFAOYSA-N 385.395 2.972 0 40 GFAB Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(F)cc1 2622805 JGSHECRXJKUESJ-UHFFFAOYSA-N 399.451 2.739 0 40 GFAB O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)OCn1nnc2ccccc21 20509325 FEYLPYDGAJKJKM-AWEZNQCLSA-N 392.337 2.742 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)nc1 12024365 DVLMQVLPDUDRHV-UHFFFAOYSA-N 381.363 2.861 0 40 GFAB COc1cc(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)cc(OC)c1OC 12986125 YBLLWNWHPMXBFN-GFCCVEGCSA-N 388.395 2.843 0 40 GFAB COc1cccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1OC 13000722 OEYXNOIOTMLPMS-HNNXBMFYSA-N 397.475 2.900 0 40 GFAB CC[C@@]1(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CCC(=O)NC1=O 9184558 LGKCTTCLWYGMNQ-NRFANRHFSA-N 380.400 2.752 0 40 GFAB CCc1ccccc1NC(=O)c1nnn(CC(=O)NCc2ccc(F)cc2)c1C 71327407 BNSUZQWROFUXEI-UHFFFAOYSA-N 395.438 2.857 0 40 GFAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 14097788 DESJVNPPMDACEC-UHFFFAOYSA-N 396.852 2.676 0 40 GFAB COCCOc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cn1 65585314 NSUBXJNVSPZGEO-OAHLLOKOSA-N 388.443 2.894 0 40 GFAB Cc1cccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)c1 5345865 WQDOFGHTAWVAAB-UHFFFAOYSA-N 375.413 2.957 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc2O1 14184218 SXRSAOMYVQYOGH-INIZCTEOSA-N 378.350 2.788 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 27471953 MNEVZXFCSVYVIH-HNNXBMFYSA-N 376.478 2.869 0 40 GFAB COc1cc2nc(CN(C)CCOc3ccccc3C)[nH]c(=O)c2cc1OC 15099498 FEHXKRXQIMNUSW-UHFFFAOYSA-N 383.448 2.760 0 40 GFAB COc1ccccc1OCCCN1C(=O)[C@](O)(CC(C)=O)c2cccc(C)c21 4988014 REGFYSBHIIGYDR-QFIPXVFZSA-N 383.444 2.986 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)nn2)CC1 67263049 ONKFHIHXYHWHII-UHFFFAOYSA-N 391.475 2.855 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 5939030 RWKHYFNYOJGXNK-UHFFFAOYSA-N 377.897 2.789 0 40 GFAB Cn1cc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 7104031 VGRAPNWSTGATIL-UHFFFAOYSA-N 395.434 2.823 0 40 GFAB CCCNC(=O)CSc1nnc(SCC(=O)NCc2ccccc2)s1 7290147 ACJZZPFCFHRAIO-UHFFFAOYSA-N 396.563 2.565 0 40 GFAB CC(C)c1ccc(CN(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 7292094 HBXRJCUAKOIURJ-UHFFFAOYSA-N 386.496 2.528 0 40 GFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC1=O 7989962 OZMKEYVPTJKCDO-APWZRJJASA-N 394.471 2.726 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CSC(=S)N2CCCC2)c(C)c1 16556481 RJCCYBRMITYEBN-UHFFFAOYSA-N 379.551 2.780 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1F 8156357 RWBQQPPJYJVISO-UHFFFAOYSA-N 390.440 2.985 0 40 GFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3cc(OC)ccc3OC)N2C1=O 16735733 XSFUZZRMMUUWCG-GOEBONIOSA-N 390.461 2.916 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)NCC(=O)OCc2ccccc2)C(C)C)cc1 8324300 ZBURZBFVVRXICV-FQEVSTJZSA-N 382.460 2.609 0 40 GFAB O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)[C@H]1CCOC1 72275197 YBUVUHWRCYGEQE-JTQLQIEISA-N 383.189 2.656 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C(=O)NC1CC1)CC2 72285733 LDDPZSMIQWZQNS-SFHVURJKSA-N 386.473 2.518 0 40 GFAB COCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)OC)c1 89420206 HPCUKUIHBVPARD-UHFFFAOYSA-N 399.852 2.953 0 40 GFAB CCN1CCN(C(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn23)CC1 408679904 WPCVFZLAUDRBQN-UHFFFAOYSA-N 391.471 2.962 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 408703660 VXPFVIXMKIBNGG-UHFFFAOYSA-N 375.450 2.683 0 40 GFAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ncccn2)n1 61969160 LZHHCEYKAPSVNQ-UHFFFAOYSA-N 383.433 2.684 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O)OCc1ccccc1 4760113 SLQMUASKUOLVIO-RBUKOAKNSA-N 396.443 2.600 0 40 GFAB CN(Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408703066 MKZDWMDDKOZRFU-UHFFFAOYSA-N 382.869 2.749 0 40 GFAB O=S(=O)(CCOc1ccccc1)N1CCN(c2ccccc2Cl)CC1 70637692 GKJYOYJQRAPPNC-UHFFFAOYSA-N 380.897 2.871 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1C 408556124 CHWRNEOEHRQWNB-NSHDSACASA-N 384.404 2.587 0 40 GFAB COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CO)c3c1[C@@H](C2)N(C)CC3 1068991 FRSRMZNTUGSNRW-MRXNPFEDSA-N 385.460 2.965 0 40 GFAB biogenic COc1cccc(-n2cc(C(=O)N3CCN(C4CC4)c4ccccc43)nn2)c1 562540990 RMQFVZKNRQHGHW-UHFFFAOYSA-N 375.432 2.905 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349312 OXSFPTRVTMDSPV-INIZCTEOSA-N 377.485 2.797 0 40 GFAB Cc1cc(C)n(CCCNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)n1 48340719 QRBNRBGVZKJGLC-UHFFFAOYSA-N 382.508 2.867 0 40 GFAB CN(C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccccc1 222649955 BUIXBOWTICFIEB-UHFFFAOYSA-N 388.489 2.949 0 40 GFAB CSc1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1 238813792 AYKAHNYEXPWQMQ-ROUUACIJSA-N 384.501 2.503 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222688675 VHKSGHMPZWZRTE-ZDUSSCGKSA-N 390.461 2.629 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225047173 QNYNPDQOSUSZOK-MRXNPFEDSA-N 390.505 2.643 0 40 GFAB COc1ccc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)c(OC)c1 48656542 KUZKQPBDGFOCCE-GFCCVEGCSA-N 386.379 2.883 0 40 GFAB C[C@@H](C(=O)NCCCc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220483527 YFRGLLNZYIBIEK-HNNXBMFYSA-N 378.469 2.729 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 220170552 CHOQQRHUUAEIDJ-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB Cc1cccc(CN2CCC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2=O)c1 19773507 QBVYLUBEXKSTTC-XMMPIXPASA-N 393.531 2.671 0 40 GFAB COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCCC1 47032271 VYFSOQQBMJIPRL-SFHVURJKSA-N 378.469 2.950 0 40 GFAB CC(C)c1ccc(CN2CC[C@@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 96225593 IZJNOFFGHOJYAE-HSZRJFAPSA-N 398.551 2.743 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)c1ccc3c(c1)OCCO3)C=C2 96114117 GXKJWRZEGFDNME-UHFFFAOYSA-N 395.411 2.713 0 40 GFAB biogenic CCc1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 96355816 GFZZFNRACFCWDX-ORYQWCPZSA-N 398.528 2.824 0 40 GFAB O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCC(F)(F)C1 537371214 DUEFIEQUYWQWCI-LBPRGKRZSA-N 393.312 2.741 0 40 GFAB COC(=O)c1nc(NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)sc1C 95477563 WQFBZKYAMZKSCB-UHFFFAOYSA-N 386.437 2.725 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 243322306 LNZZOQHMTVUXLT-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB Cc1ccsc1CN1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 253599568 RGLHAVARKKIRQN-OAHLLOKOSA-N 378.519 2.520 0 40 GFAB CNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c(Cl)c1 536501487 HNTIFPOBDGOJDN-CYBMUJFWSA-N 377.872 2.819 0 40 GFAB O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(C(F)(F)F)cc1 96098826 OMQAKQQMKYLRND-UHFFFAOYSA-N 396.394 2.942 0 40 GFAB CC1(C)[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC[C@]1(C)C(=O)O 96118988 HFUAESWMTIGHCA-LAUBAEHRSA-N 376.472 2.997 0 40 GFAB O=C(C1CCN(CCn2ccccc2=O)CC1)N(Cc1ccccc1)C1CC1 607359972 YJRXAYJMGIAZMW-UHFFFAOYSA-N 379.504 2.752 0 40 GFAB CO[C@@H](CNC(=O)N1C[C@@H](C)O[C@@H](c2nc(C)no2)C1)c1ccc(Cl)cc1 623666379 AQHZAKHMPKMFMK-XFBWCDHKSA-N 394.859 2.891 0 40 GFAB CS(=O)(=O)Cc1ccccc1NC(=O)N1CCOc2cc(F)ccc2C1 626337465 RJDSPMAOVOEBFN-UHFFFAOYSA-N 378.425 2.797 0 40 GFAB Cn1c(CCNC(=O)c2cc(C(F)(F)F)ccn2)nnc1-c1ccccc1 1153965172 SWTRWQOSIQDEBM-UHFFFAOYSA-N 375.354 2.868 0 40 GFAB CO[C@H](C)c1nc(CNC(=O)c2ccc(N3CCOCC3)c(F)c2)cs1 674598490 RBBGIGWAMMVADU-GFCCVEGCSA-N 379.457 2.756 0 40 GFAB COc1cccc(C(F)(F)CNC(=O)N2CCOc3cc(F)ccc3C2)n1 685939073 RBNYURYXOLDEHU-UHFFFAOYSA-N 381.354 2.925 0 40 GFAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NC1CCCC1 12232998 UPVRTLVPUYXQPA-OAHLLOKOSA-N 395.488 2.678 0 40 GFAB Cc1sc2nc(CS[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 12817960 ZVGOGACQKDCXAV-CWSCBRNRSA-N 395.550 2.859 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 12915209 PCZGMUPVYYJLFU-UHFFFAOYSA-N 394.818 2.972 0 40 GFAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13680228 RTCQCAADJRCQEP-QGZVFWFLSA-N 380.554 2.966 0 40 GFAB CC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713975 PLIHBKSMMMSTCV-QGZVFWFLSA-N 390.461 2.877 0 40 GFAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)s1 13996451 VBKXWKDCSZDQCL-UHFFFAOYSA-N 392.553 2.523 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(Cc2ccccc2)c1 14795436 HOBBJWXDJFPGMF-UHFFFAOYSA-N 398.488 2.742 0 40 GFAB CCC(=O)[C@@]12CCCC1=NC(=N)N=C2C1=NC(=N)N=C2CCC[C@@]21C(=O)CC 18032018 LRKAYJHJRHUKJN-BGYRXZFFSA-N 380.452 2.946 0 40 GFAB Cc1nc2cc(C(=O)N3CCc4nc([C@H]5CCCN5C)ncc4C3)ccc2n1C 19286528 XEBGMGRZDZQKCB-HXUWFJFHSA-N 390.491 2.637 0 40 GFAB O=C(CCCn1ccnc1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344273 FASMSMOJLHIYSN-HNNXBMFYSA-N 397.504 2.881 0 40 GFAB Cc1c(C(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)[nH]c2ccc(F)cc12 19710990 PSQIZKMVIHAZAX-CQSZACIVSA-N 396.470 2.672 0 40 GFAB Cc1nc([C@@H]2CCCN2C(=O)c2cc[nH]n2)ncc1C(=O)Nc1ccc(F)cc1 19755112 NNBALKOSKSDATQ-KRWDZBQOSA-N 394.410 2.877 0 40 GFAB COc1ccc(O)c([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)c1 1848356542 GAERPVUHAXCJDQ-ZFTZQBIMSA-N 389.492 2.782 0 40 GFAB CCOc1ccc2oc(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c2c1 18164668 RIVHVIHFYJLDHA-BETUJISGSA-N 375.421 2.933 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 3553145 XGJXKRJPYIVSLO-UHFFFAOYSA-N 396.490 2.736 0 40 GFAB C[C@H](OC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)NC(N)=O 5803636 MMPIZSZOYLXMKJ-NSHDSACASA-N 399.428 2.860 0 40 GFAB Cc1cn2nc(OCC3CCN(c4nc(C)nc5cnccc45)CC3)ccc2n1 1888909728 ZUHIVPXKXYTAEB-UHFFFAOYSA-N 389.463 2.980 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCc2ccccc21 4327993 UOENFUHODGYUOO-UHFFFAOYSA-N 388.456 2.868 0 40 GFAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)c2ccccc2S1(=O)=O 4940733 UCJDZJPOLPOAMC-SNVBAGLBSA-N 398.362 2.877 0 40 GFAB COc1ccc([C@@H]2OC(=O)N(C)[C@@]2(O)c2ccc(OC)c(OC)c2)cc1OC 6668006 QRMJRTVWIFQSMM-AZUAARDMSA-N 389.404 2.689 0 40 GFAB O=C(c1ccco1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694095 ABHLPSYACXEPFV-UHFFFAOYSA-N 387.823 2.660 0 40 GFAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(OC)cc3)ccc21 22732644 FMRQEPOFEQMUDI-UHFFFAOYSA-N 381.476 2.765 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)o2)c1 1775965455 UQMLIKXNJSJVGY-ZDUSSCGKSA-N 393.417 2.569 0 40 GFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(-c2ccccc2)nn1CCO 49027702 BFJRYIHOTFSSEH-JLTOFOAXSA-N 379.416 2.709 0 40 GFAB Cc1cnc(OC2CCN(C(=O)c3cncc(Br)c3)CC2)nc1 655258828 MNNPFHORDBRKML-UHFFFAOYSA-N 377.242 2.626 0 40 GFAB Nc1c(C(=O)[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)cnn1-c1ccccc1 19374458 CCGUHHPAOFZPAR-OAHLLOKOSA-N 378.407 2.939 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OCC)CC1 38500667 KHJSZXIXRGEQMZ-UHFFFAOYSA-N 389.427 2.825 0 40 GFAB CC(=O)N[C@@H](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1cccs1 10403608 VTEGHNNHDYHBDX-SFHVURJKSA-N 399.516 2.736 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCCC[C@@H]3C)CC2=O)cc1F 40047304 FHAVVXFAEOBHMZ-IRXDYDNUSA-N 375.488 2.868 0 40 GFAB O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CC[C@H](C(F)(F)F)NC1=O 30674695 MABMJBUVQOQDKF-MWLCHTKSSA-N 384.276 2.659 0 40 GFAB COc1ccccc1NC(=O)N[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 20112831 HHGOVTOPVKVQTB-LJQANCHMSA-N 385.420 2.741 0 40 GFAB biogenic COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C)CC2)cc1OC 20418616 CGPNCQMBAQGOLK-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CC1(C)OC[C@H]([C@@H]2OC(=O)C(O)=C2OCc2ccc(Br)cc2)O1 20444483 OAFBJCNKHYIJRQ-YPMHNXCESA-N 385.210 2.812 0 40 GFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@H](O)c2cccc(F)c2)C1 51290505 XMVIUDTWJDPWGG-LIRRHRJNSA-N 388.464 2.886 0 40 GFAB Cc1cc(Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n2ncnc2n1 32784307 QWAPCTPVQZETII-UHFFFAOYSA-N 386.481 2.659 0 40 GFAB COc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)c(OC)c1 809678 FITKLQSRDUUYBR-UHFFFAOYSA-N 396.491 2.998 0 40 GFAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 23146388 GIFUYNBHCGBYRI-INIZCTEOSA-N 375.488 2.811 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12554323 POJPUDRBNRHSFN-UHFFFAOYSA-N 399.516 2.553 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(OC)c(OCC)c1 977289 KOTYUMBALJCWIE-KRWDZBQOSA-N 390.461 2.917 0 40 GFAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 2625957 NZZPUFHPRSVGBY-JOCHJYFZSA-N 385.508 2.911 0 40 GFAB CC(C)CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 3032780 PLPDCKPBQGNJGT-LJQANCHMSA-N 392.496 2.878 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(C)c(-c3ccccn3)s2)CC1 24031985 JQLDDEIDPRYKLZ-UHFFFAOYSA-N 394.522 2.514 0 40 GFAB C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 4082253 JPIDFRQBAGAXJM-AXMCTELYSA-N 386.488 2.703 0 40 GFAB biogenic C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4553364 BIKOHLLBMQDSFE-VOAKKNSGSA-N 391.265 2.807 0 40 GFAB COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccccc3F)cc21 4965764 OXILJFHEYJAMLC-UHFFFAOYSA-N 386.379 2.755 0 40 GFAB Cc1cccc(N(C)C(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)c1 51316906 BTQVJIZHUQMIDM-UHFFFAOYSA-N 391.406 2.669 0 40 GFAB COc1ccc(CCn2nnnc2[C@H](c2ccc(C)cc2)N(C)C)cc1OC 57740032 RRCLHCCQAMNNRT-FQEVSTJZSA-N 381.480 2.892 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc4ncccc34)C2=O)cc1 27080491 HAGUVHVZZXEQLP-JOCHJYFZSA-N 388.427 2.949 0 40 GFAB CNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 9709602 QGRFNOJDZJRARK-UHFFFAOYSA-N 395.484 2.806 0 40 GFAB Cc1nc2sc(C(=O)O[C@H](C)C(=O)NCC3CCCCC3)c(C)c2c(=O)[nH]1 10146717 RRKKOCAQXDRKFO-LLVKDONJSA-N 391.493 2.843 0 40 GFAB Cc1ccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 22327922 XTXRIHJEIFISRM-KRWDZBQOSA-N 390.505 2.653 0 40 GFAB NC(=O)[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)C1 12798357 UIZOENNTKALHBU-INIZCTEOSA-N 394.500 2.997 0 40 GFAB CC(=O)O[C@@]12c3ccccc3-c3ccccc3[C@H]1[C@H]1C(=O)N(C)C(=O)[C@@]12Cl 104295890 HJLALHCILCKSMC-USNOLKROSA-N 381.815 2.815 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 11099132 ABEVFNZNDOZQAW-CQSZACIVSA-N 397.431 2.654 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 20459880 VDYLBDUPUPXPIJ-ZDUSSCGKSA-N 392.477 2.591 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1COc2ccccc2O1 2664423 OGQLJGBKAMZJHE-MRXNPFEDSA-N 376.359 2.592 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1F 5047296 WPQBRIGXQDANLI-UHFFFAOYSA-N 395.184 2.572 0 40 GFAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1 5075432 LQHGETOGYBBNKE-UHFFFAOYSA-N 386.882 2.681 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)c2ccco2)cc1 39516991 LFOAFONTZLMXAB-AWEZNQCLSA-N 392.477 2.760 0 40 GFAB O=C1N[C@H](c2ccccc2F)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4387409 JKHHWXQVBXGWHG-JJRVBVJISA-N 382.313 2.930 0 40 GFAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 14200075 JXLYVJFKRUGDPF-SNVBAGLBSA-N 385.401 2.889 0 40 GFAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 4662704 GJBQYJGIDGHANX-UHFFFAOYSA-N 395.487 2.745 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2)c(C)c1 4666982 BQPPZYJXWJIPGM-UHFFFAOYSA-N 393.553 2.914 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC 6611195 FJGWFLPLOBCSGF-GUTXKFCHSA-N 379.453 2.953 0 40 GFAB CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 95460964 UKSYYAJCAGEKMV-GFCCVEGCSA-N 389.905 2.660 0 40 GFAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)c1ccc(F)cc1 8279319 DUOUURLFCPJHJX-GFCCVEGCSA-N 378.473 2.855 0 40 GFAB C[C@H]1C[C@@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]12 16957453 VELZWUNEVHWCSX-WQGACYEGSA-N 389.883 2.784 0 40 GFAB Cc1cc(C)n(Cc2cccc(-c3noc(-c4coc(S(N)(=O)=O)c4)n3)c2)n1 95462727 GVRSXNVYUMGWQX-UHFFFAOYSA-N 399.432 2.506 0 40 GFAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 95460732 HXPYIESWTYZLFA-UHFFFAOYSA-N 387.827 2.858 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 9834884 MYPRJUJXWBYEPS-UHFFFAOYSA-N 395.463 2.682 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NCc3nc4ccccc4n3C)ccc12 17370419 LOGLVUMVNSWQMU-UHFFFAOYSA-N 377.400 2.683 0 40 GFAB biogenic COc1ccc(-c2csc(NC(=O)C[C@H]3CCS(=O)(=O)C3)n2)cc1F 18091496 CPFVJCCDGXPRJB-SNVBAGLBSA-N 384.454 2.721 0 40 GFAB CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(C(=O)NC(C)C)C3)c1C 69848488 DQRQTINUEMNGSJ-AWEZNQCLSA-N 398.511 2.580 0 40 GFAB Cc1nc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)sc1C 62022824 JIVOGRDLCSLLNC-CQSZACIVSA-N 383.481 2.591 0 40 GFAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3nccc(-c4ccccc4)n3)cc12 95944020 QBCYOUFXZCZHCF-UHFFFAOYSA-N 380.433 2.535 0 40 GFAB COC(=O)N[C@H](C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)C(C)C 95953720 ONEMYOSKBCAAJC-SFHVURJKSA-N 390.480 2.766 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2c(c1)CCN2C(C)=O 29235816 LLIZVNUNMFFUAO-UHFFFAOYSA-N 395.459 2.705 0 40 GFAB CC(C)CN1c2ccccc2C2(CCN(Cc3cnn(C)c3)CC2)S1(=O)=O 306143583 YGIKECGXMXAYCI-UHFFFAOYSA-N 388.537 2.717 0 40 GFAB CCc1ccc([C@H](CNC(=O)Cn2cnc3c(C)cccc3c2=O)N(C)C)cc1 32217006 OJSLYNRETHDBOP-FQEVSTJZSA-N 392.503 2.686 0 40 GFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccccc12 524729584 ZLVPXSUUSFNRTL-NYDSKATKSA-N 389.455 2.937 0 40 GFAB biogenic Cn1nccc1C(=O)N[C@H]1COCc2c1cnn2-c1ccc(C(F)(F)F)cc1 306138210 RSIOHWDUQPVOCH-AWEZNQCLSA-N 391.353 2.626 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1nnc(COc2ccccc2)n1 39995479 NFZGSCVRBMRFAO-UHFFFAOYSA-N 389.818 2.703 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C)cc1Cl 33416240 KRBSDHUIQQATMU-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB O=C(NCCOc1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1 30526398 TYKAGFFFRBJJIR-UHFFFAOYSA-N 376.453 2.935 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640203 APOHLDHEFHSAFU-INIZCTEOSA-N 384.398 2.862 0 40 GFAB CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 39985644 JEQAEOPWQAZFOH-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)C(C)C)CCO3)c2)cc1 72389132 APCKNRACPVICOQ-HSZRJFAPSA-N 380.488 2.943 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 44761923 BODCWRYIGPAMPG-ZDUSSCGKSA-N 391.445 2.592 0 40 GFAB C[C@H](C(=O)NCCSC1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 225523641 QWFXXEVTGGRAAD-CYBMUJFWSA-N 388.530 2.772 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 223005493 ORCOQVZAGUCSLA-RBUKOAKNSA-N 388.537 2.765 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@]1(O)CCOc2ccccc21 77099980 YMOPOMFXICNTFH-OAQYLSRUSA-N 381.407 2.626 0 40 GFAB COc1ccc(OCc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2OC)cc1 224269200 GCERQPPRWFJRIX-UHFFFAOYSA-N 398.459 2.620 0 40 GFAB COc1ccc(/C=C/C(=O)N2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 40386163 VMYVFNZFVDDINU-QHSLDKKCSA-N 376.412 2.886 0 40 GFAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 225922932 IZLVIBHPKCDLSL-UHFFFAOYSA-N 380.441 2.671 0 40 GFAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCCCc1ccc(F)cc1 227161464 HXPKXAZQTHHQQY-UHFFFAOYSA-N 386.402 2.884 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)Nc1ccccc1F)C2 96238159 OFENBKPZXPFVJV-LJQANCHMSA-N 388.468 2.842 0 40 GFAB Cn1c(=O)ccc2ccc(NC(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)cc21 578858305 JNLZDCSBLSUCPO-FXAWDEMLSA-N 378.432 2.975 0 40 GFAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 96036860 NUORIVCPNGOENW-QGZVFWFLSA-N 388.537 2.703 0 40 GFAB CS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(Br)cc1 96518144 WFSNDOGNSXUDNR-VIFPVBQESA-N 390.480 2.964 0 40 GFAB COc1ccc2nc(C(F)(F)F)nc(N3CCO[C@@H](c4n[nH]c(C)n4)C3)c2c1 585083291 NLXWRTFESKNLGC-CYBMUJFWSA-N 394.357 2.662 0 40 GFAB COc1cc2c(C)cc(=O)n(Cc3c(Br)cnn3C)c2cc1OC 634549898 HZZSSXGUCPRDTR-UHFFFAOYSA-N 392.253 2.871 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccc2nnc(O)n2c1 670416508 UDVURRWNVITVES-MRXNPFEDSA-N 377.404 2.732 0 40 GFAB CCCN1CCN(CC(N)=O)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 585183621 PLFGYWXOZLLJIM-JOCHJYFZSA-N 393.531 2.860 0 40 GFAB Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1 585103686 FHORIPGYUACGBS-JOCHJYFZSA-N 383.492 2.851 0 40 GFAB COc1ccc(CCN2C[C@@H](C(=O)N(C)c3ccccc3)CC2=O)cc1OC 36264309 FQABGHBGEPDVCM-KRWDZBQOSA-N 382.460 2.758 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153153 AOBGUQAWTCGNJI-NRFANRHFSA-N 381.432 2.590 0 40 GFAB O=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701035 WDRWYHVCMVPHKL-UHFFFAOYSA-N 399.405 2.634 0 40 GFAB Cc1ccc2occ(CN(CCN3CCOCC3)Cc3cccnc3)c(=O)c2c1 19219777 RBHAVUIBTWFWQU-UHFFFAOYSA-N 393.487 2.831 0 40 GFAB COc1ccc2c(c1)c(-c1nc(N(C)C)ncc1CNC(=O)C1CC1)cn2C 19290354 OJHQPJPKYVPDGW-UHFFFAOYSA-N 379.464 2.736 0 40 GFAB COCCc1ncc(CN2CCC[C@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cn1 19752582 PTYCEYQBBHCFIT-SFHVURJKSA-N 396.539 2.526 0 40 GFAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCN(C)CC2)cc1 19900720 ONBIFGQHCZGDKX-FXBPSFAMSA-N 393.487 2.630 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169300759 RJLMGMCXBGHCTN-BZLDKRAPSA-N 398.484 2.828 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)NCC1CCN([C@@H]2CCSC2)CC1 225573143 YVOAHNZUIACIGO-MRXNPFEDSA-N 388.986 2.977 0 40 GFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)CCc4cc(Cl)no4)C3)cc2n1 12134401 DRHZPNAFFZXGTI-LBPRGKRZSA-N 389.843 2.724 0 40 GFAB O=C(CN1CCCC1=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 12337260 POEWTYZYSPRXKW-UHFFFAOYSA-N 389.927 2.575 0 40 GFAB C[C@H](CNS(=O)(=O)N1CCC(C(=O)O)CC1)c1c(Cl)cccc1Cl 567468372 MGFRBOCSQOQLHO-SNVBAGLBSA-N 395.308 2.728 0 40 GFAB CN1/C(=C\C(=O)COC(=O)CSc2cccc[n+]2[O-])C(C)(C)c2ccccc21 18211670 SKIJBZPTVODXQN-PDGQHHTCSA-N 398.484 2.836 0 40 GFAB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 6588814 HVRDROIPGFBPNX-UHFFFAOYSA-N 396.559 2.835 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2F)C1 6771057 RXOSZVHDBXYBID-GFCCVEGCSA-N 399.419 2.609 0 40 GFAB O=C1CN(C2CCN(c3cc(C4CC4)ncn3)CC2)C(=O)N1c1ccccc1 1888879212 NLMQOORFTMQGLI-UHFFFAOYSA-N 377.448 2.792 0 40 GFAB COC(=O)c1c(C)cccc1NC(=O)CCCn1cnc2ccccc2c1=O 21975685 BGVGEABFMMWUGS-UHFFFAOYSA-N 379.416 2.910 0 40 GFAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)s1 24889926 VDSQLGZINKMMAO-UHFFFAOYSA-N 394.371 2.884 0 40 GFAB Cc1nc(CN2CCN(C(=O)Cc3ccc(F)cn3)Cc3cccnc32)cs1 1565548697 IMCIYFJXSMFFLI-UHFFFAOYSA-N 397.479 2.972 0 40 GFAB Cc1cncc(CN2CC[C@H]3[C@H](CC(=O)N(C)Cc4ccccc4)OC[C@H]3C2)n1 1565553237 PRDNCARDKKJFQK-FCEUIQTBSA-N 394.519 2.671 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38490319 CJGAWCKZNOJIGA-SJORKVTESA-N 392.484 2.779 0 40 GFAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 585387656 BOEHQGPWXVXZGL-GFCCVEGCSA-N 384.299 2.751 0 40 GFAB CC(C)(C)C(=O)N[C@H]1CCCN(c2nc3c(S(C)(=O)=O)cccc3s2)C1 2298194318 BYBQYUPLWNGSSY-LBPRGKRZSA-N 395.550 2.831 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1 77100379 GUNDMEPXJKWDFF-UHFFFAOYSA-N 391.309 2.720 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@](C)(O)c1ccc2c(c1)OCO2 77184583 KUMPKVYXFBPLDP-QGZVFWFLSA-N 383.853 2.563 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 5002447 IPEZBNXJRRTLON-JXFKEZNVSA-N 386.473 2.963 0 40 GFAB Cc1c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 207123139 UULHXXLAXQLMPW-GFCCVEGCSA-N 387.432 2.727 0 40 GFAB O=C(CCc1nc(-c2cccnc2)no1)N1CCCN(Cc2cccs2)CC1 40089148 ARPGGPBOBDUXSE-UHFFFAOYSA-N 397.504 2.860 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)NCCc1cnn(-c2ccccc2)c1 40039423 POHXJMYHBXOOGV-UHFFFAOYSA-N 377.444 2.985 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCCN1CCc2ccccc2C1 30362717 AJHPGJQBQFVESL-OAQYLSRUSA-N 397.494 2.755 0 40 GFAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1 30599681 YVSXOWIUSKPSPS-YVEFUNNKSA-N 387.461 2.905 0 40 GFAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1C[C@H](C)O[C@@H](C)C1 20263151 HCVYXPXPOUKNBC-RYUDHWBXSA-N 377.416 2.531 0 40 GFAB Nn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1cccc(F)c1 51319308 IWNKIFHUOYGOFI-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB O=C(N1CCCC1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Br)n1)(C3)C2 101115037 OEWZSXFKHBVSOT-QJRTVWDNSA-N 379.302 2.959 0 40 GFAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1csc(Nc2ccccc2)n1 51734614 BGEQDPVYGOGPOB-INIZCTEOSA-N 380.539 2.790 0 40 GFAB C[C@@H]1CN(C(C)(C)CNC(=O)NCc2nc3ccccc3s2)C[C@@H](C)O1 32889664 LOTNGUFGDWGQBC-ZIAGYGMSSA-N 376.526 2.983 0 40 GFAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)CC1 32901452 AYEIXYMBAHDQNQ-UHFFFAOYSA-N 382.395 2.642 0 40 GFAB O=C1O[C@H](c2c(O)[nH]c(=O)n(-c3cccc4ccccc34)c2=O)c2ccccc21 9046158 NQAWUNFLROICOU-SFHVURJKSA-N 386.363 2.644 0 40 GFAB CC(C)(O)CSCCNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 78823741 UIBVYGJLACRBKY-MRXNPFEDSA-N 386.517 2.813 0 40 GFAB CC[C@H](NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)c1cnn(CC)c1 79019641 RKXDDHRNTVLLNF-KRWDZBQOSA-N 394.497 2.599 0 40 GFAB COc1ccc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)cc1OC 79474587 KSROKQOYQRBHKQ-UHFFFAOYSA-N 376.829 2.924 0 40 GFAB COc1ccccc1-c1nnc(SC[C@@H]2CN(CC(C)C)CCO2)n1C 23731875 UQFUPNUZJKRYRZ-HNNXBMFYSA-N 376.526 2.940 0 40 GFAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1 23732217 HTHKTOJHTTXGSS-UHFFFAOYSA-N 383.517 2.829 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 3403225 KRDSVPOCAZPLEB-UHFFFAOYSA-N 384.432 2.648 0 40 GFAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)c2cc3ccccc3o2)C1 105774046 VFTQVZPJGOXEGT-UKRRQHHQSA-N 380.466 2.603 0 40 GFAB COc1cc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc(OC)c1 4852282 ORRBOCZQINTHAG-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 6940947 NGRFWXUQTZNFMO-UHFFFAOYSA-N 396.509 2.922 0 40 GFAB Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 7006854 VKWIQFRVQWBGGR-UHFFFAOYSA-N 391.807 2.980 0 40 GFAB CCN(c1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1)S(C)(=O)=O 10008606 KHZOFLWFFILQCS-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(Cl)nc(NCc3ccco3)n2)C1 100625037 HHWFEUZQCJPBKX-STQMWFEESA-N 398.854 2.516 0 40 GFAB CCN1C[C@H](CN(C)C[C@H](O)COc2cccc(C(C)=O)c2)Oc2ccccc21 35284100 VDAGEKSORBBVPH-FPOVZHCZSA-N 398.503 2.848 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CCCNC(=O)OC(C)(C)C)c(C)c1 57974672 KQFBVLUYCBWVSZ-UHFFFAOYSA-N 377.485 2.971 0 40 GFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1nnc2n1CCCCC2 12769626 RLPVINSAFFHLQZ-UHFFFAOYSA-N 381.484 2.611 0 40 GFAB COc1cccc(-n2cnnc2SCCc2nc3ccccc3c(=O)[nH]2)c1 58168814 BENROBKBNKEJOE-UHFFFAOYSA-N 379.445 2.847 0 40 GFAB CCNC(=O)c1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 58160947 DNNQIIKUYBUCMG-LJQANCHMSA-N 379.460 2.609 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)CCCCC3)cc1 12758877 LFVWERFHMANHKP-UHFFFAOYSA-N 393.534 2.891 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 12774150 ZFMXNRWEWNAMQH-UHFFFAOYSA-N 381.411 2.734 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cc(Cl)cc3c2OCOC3)c1=O 10911437 VZHVZLAFUQSENB-UHFFFAOYSA-N 388.729 2.534 0 40 GFAB Cc1cc(C)c(CCNC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)c(C)c1 48375265 BHOVESQIZWZAIX-UHFFFAOYSA-N 390.487 2.967 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 29805815 VQROFGODQUSJMR-GOSISDBHSA-N 398.488 2.754 0 40 GFAB CC(C)Oc1ccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 22516464 QKDBPGKJHQNEGO-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 3443648 KNGQNGQNCZUDLB-UHFFFAOYSA-N 396.509 2.668 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(C)(C)C)cc1 22531954 IAOLZJWOVGTZCV-RDJZCZTQSA-N 395.569 2.680 0 40 GFAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)NC(=O)NCc1ccco1 12939217 PYTLURHKDYUWSA-UHFFFAOYSA-N 399.447 2.779 0 40 GFAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3C[C@H](C)O[C@@H](C)C3)n2)n1 9184306 NEDLYPZQDHHYOQ-RYUDHWBXSA-N 380.290 2.964 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 13349854 RNEUCKRAIJZPEG-BJMVGYQFSA-N 390.417 2.552 0 40 GFAB CSc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccn3)CC2)c1 71328888 TWJKCRNRHVRGFV-OAHLLOKOSA-N 399.520 2.662 0 40 GFAB Cc1ccc(N2C(=O)[C@@](NC(=O)Cc3ccccc3)(C(F)(F)F)N=C2O)cc1 13655552 HCEJMNDEBQXQIV-SFHVURJKSA-N 391.349 2.873 0 40 GFAB Cc1ccccc1CNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113958173 KEXXJFGEIGQTSE-ZDUSSCGKSA-N 382.432 2.744 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 14247498 RROIMJQEWOLZOU-IBGZPJMESA-N 384.457 2.993 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nncn3-c3ccccc3)nc2c1 6506180 HZEBTDALLKZXCT-UHFFFAOYSA-N 393.428 2.583 0 40 GFAB CC(C)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 4673060 RPMUZEZKOICWTC-UHFFFAOYSA-N 378.469 2.789 0 40 GFAB CCCCOCCCNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1 4690808 KIBPVUMBJROCGT-UHFFFAOYSA-N 390.402 2.984 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)Cc2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 14797985 LGOBMANKAGFEDG-KWJFTMPMSA-N 380.488 2.933 0 40 GFAB CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)CCC3)nc1 5635666 NGNZHOYNIIXJJS-UHFFFAOYSA-N 391.518 2.551 0 40 GFAB O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 6881663 YFCSWDHMKNKVAF-UHFFFAOYSA-N 391.431 2.976 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccncc3)C[C@@H]21 306132869 LUYHEHQKHBSJSK-CTNGQTDRSA-N 377.469 2.899 0 40 GFAB CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1N1CCOCC1 7722992 LZHWMNBOSAHESQ-UHFFFAOYSA-N 385.493 2.899 0 40 GFAB Cc1ccc(C2=NN(C(=O)CN(C)CC(=O)NC(C)C)[C@H](c3ccco3)C2)cc1 7923878 YNLDSBBDFPKJFY-IBGZPJMESA-N 396.491 2.722 0 40 GFAB COc1ccccc1C(=O)Nc1cc(O)nc2nc(COc3ccccc3)nn12 17027243 WCDUTHDIWKQWER-UHFFFAOYSA-N 391.387 2.670 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)cc1C 409142941 MAUKBZVDPGFXFY-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)c1 408592107 NWHIESLZYSQMOR-UHFFFAOYSA-N 392.477 2.790 0 40 GFAB Cc1cnc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)cn1 95998589 HLCUDHVQBMIFPT-LJQANCHMSA-N 395.438 2.940 0 40 GFAB O=C(NCCc1ccccc1)c1cc(S(=O)(=O)NCCc2ccccc2)c[nH]1 21865819 YVSYZWHBBXDOKR-UHFFFAOYSA-N 397.500 2.508 0 40 GFAB CCn1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 306141168 VMZDFMXSEUMCGU-AZUAARDMSA-N 383.473 2.918 0 40 GFAB CC(C)CC(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 408622466 PMXKHGLKXHFQMJ-UHFFFAOYSA-N 395.397 2.951 0 40 GFAB Cc1cc2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n2c(N)n1 35315333 WGANOCBPKLQJRP-UHFFFAOYSA-N 396.520 2.588 0 40 GFAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 56327896 XMLMICQQNGXVAQ-UHFFFAOYSA-N 395.528 2.940 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1C 408603828 HFEWLJAXYDYAHM-INIZCTEOSA-N 390.505 2.685 0 40 GFAB CC(C)[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1 39983306 TYHZLUXYKBNOOH-KRWDZBQOSA-N 375.444 2.894 0 40 GFAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1ccc2c(c1)OCCCO2 72400813 DBHJUYQRBJHUQK-UHFFFAOYSA-N 388.815 2.608 0 40 GFAB CC(=O)c1cccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1 70637956 BUOFKFCUZNBIRB-UHFFFAOYSA-N 390.447 2.720 0 40 GFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2occc2n1Cc1ccccc1Cl 36358110 ICGZAFTYSCKYIZ-ZDUSSCGKSA-N 392.864 2.853 0 40 GFAB NC(=O)c1cc([C@H]2CCCCN2C(=O)c2cc(Br)cs2)n[nH]1 225557212 RXFCURVGVNNRNA-LLVKDONJSA-N 383.271 2.700 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)ccc21 225695035 QXPADTAKBBHAAB-UHFFFAOYSA-N 391.474 2.842 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223262757 XVTDBSPCFYXHKJ-OAQYLSRUSA-N 398.503 2.544 0 40 GFAB O=C(c1nc2ccccc2s1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101288 AQHCLSBWUVDVBU-UHFFFAOYSA-N 391.456 2.542 0 40 GFAB O=S(=O)(Cc1cccc(Br)c1)NC[C@@H]1COc2ccccc2O1 225280065 HQUHREVOWOFOJQ-CQSZACIVSA-N 398.278 2.709 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)O2 224483648 CVZZQCKJXBVWNF-INIZCTEOSA-N 382.526 2.853 0 40 GFAB COC(=O)/C(=C/Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 98212038 NWIDKFYIUWHZPV-ATVHPVEESA-N 377.418 2.604 0 40 GFAB COc1ccc(-c2nn([C@@H](C)C(=O)Nc3cccc(C)n3)c(=O)cc2OC)cc1 96101036 OXPDVDOFAGFMQR-AWEZNQCLSA-N 394.431 2.831 0 40 GFAB COc1ccc(Cc2n[nH]c(NC(=O)c3ccc4c(c3)OCCCO4)n2)cc1 95473196 ICCNQHQYBNCCBC-UHFFFAOYSA-N 380.404 2.818 0 40 GFAB CCN1C[C@H]2C3(CCN(C(=O)c4ccco4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036322 QAOCLJXLSWHOAY-WMZHIEFXSA-N 399.535 2.856 0 40 GFAB C/C=C(\C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 585138380 LXHMPNDMQUVTCJ-CRKCGEKBSA-N 397.479 2.903 0 40 GFAB CCOC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242614935 PMPUVYPRDGMXCM-AQNXPRMDSA-N 375.490 2.677 0 40 GFAB O=C(Cc1cccc(O)c1)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 257248037 JBTKEMJPTBKULM-XMMPIXPASA-N 394.515 2.737 0 40 GFAB CCc1nccn1-c1cccc([C@H]2CCCN2CC(=O)NCc2ccccn2)n1 257321983 WEDUJNOCEOSWOW-LJQANCHMSA-N 390.491 2.678 0 40 GFAB C[C@]1(O)CCN(S(=O)(=O)Cc2ccccc2)C[C@@H]1Oc1cccc(F)c1 257315295 VARVXPCCBZVFIY-OALUTQOASA-N 379.453 2.560 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cnc(C)nc3)CCO2)n1 257243604 IHSSRGXLOVHJET-LJQANCHMSA-N 393.447 2.920 0 40 GFAB O=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1ccc(OC(F)(F)F)cc1 96123265 ABIHQTQKQZEGHY-NSHDSACASA-N 377.344 2.544 0 40 GFAB CCOc1ccccc1C(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 90591177 LWZNXTCHXMTXQM-UHFFFAOYSA-N 392.459 2.740 0 40 GFAB CCc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2cc3sccc3n12 5108911 CLIHOWPYZFHKDT-UHFFFAOYSA-N 384.436 2.729 0 40 GFAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2oc1=O 12806333 SSJNZMKZRINYES-CQSZACIVSA-N 380.400 2.999 0 40 GFAB O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1CCN1CCOCC1 15513163 XFVKISOJMDBUEM-UVTDQMKNSA-N 384.910 2.579 0 40 GFAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 16084264 GFISQLAVKIGPDI-SNVBAGLBSA-N 386.322 2.581 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 19020327 QVGWDSBLNPAZPT-UZLBHIALSA-N 381.432 2.540 0 40 GFAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1 19339098 LFFHSGLBODOBDS-GOSISDBHSA-N 377.448 2.774 0 40 GFAB COc1ccc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)[nH]c2c1 19590549 BQIGQRSISSGSME-FQEVSTJZSA-N 391.475 2.932 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(F)c1 19974066 ZUGYFIAZWUIGKK-LBPRGKRZSA-N 398.442 2.561 0 40 GFAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2c(C)cc4ccncc42)C3)on1 100145970 JEHSQOMDLSYXFV-IRXDYDNUSA-N 380.448 2.839 0 40 GFAB COCCOCCN1CCN(Cc2nc3ccccc3c(C)c2Cl)CC1 649898453 OFZRPOLZJMXLJA-UHFFFAOYSA-N 377.916 2.977 0 40 GFAB CC(=O)N1CCN(c2ccc(NCc3cc4ccccc4[nH]c3=O)cc2)CC1 12088274 RMDWJWXKLOROKZ-UHFFFAOYSA-N 376.460 2.809 0 40 GFAB C[C@H]1CN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)C[C@H](C)O1 12222044 CSHVAZVNSYHXBY-GJZGRUSLSA-N 387.505 2.896 0 40 GFAB COc1ccc(-c2c(C(=O)O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1 96336478 BKSKBNPDOWPAIO-UHFFFAOYSA-N 385.376 2.667 0 40 GFAB COc1cccc(CNC(=O)Cn2nc(-c3ccc(C)cc3C)ccc2=O)c1 5401405 SAYLJWMOZLJCBD-UHFFFAOYSA-N 377.444 2.852 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)NCc3ccncc3)CC2)c1 9067657 KZNWNISSNGGVKO-UHFFFAOYSA-N 380.492 2.665 0 40 GFAB O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)NC1CCCCC1 12441666 GBYGDURDFBOBPM-UHFFFAOYSA-N 391.475 2.909 0 40 GFAB Cc1ccc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)s1 2055713299 WOVKWGAAGGXTJV-UHFFFAOYSA-N 386.443 2.923 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974936 XVCNELCLWCAKRA-UHFFFAOYSA-N 397.866 2.611 0 40 GFAB COc1ccc2o/c(=N\c3sc4c(c3C(N)=O)CCCC4)c(C(N)=O)cc2c1 16960174 AXHJXMRWMCMMFD-NMWGTECJSA-N 397.456 2.812 0 40 GFAB COC(=O)c1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 44006457 XAWBDNZSARPEKG-UHFFFAOYSA-N 398.434 2.895 0 40 GFAB O=C(O)/C=C/C(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 17080988 HJNJRRFFZDRRDS-OFAQMXQXSA-N 396.424 2.690 0 40 GFAB CN(CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccccc1 40079701 PYUDCJYXENJHIL-HNNXBMFYSA-N 387.430 2.960 0 40 GFAB CCCCn1c(=S)[nH]c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20267486 DPIWXDVLBXDSCF-INIZCTEOSA-N 391.493 2.664 0 40 GFAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCOCC2)cn1 51033922 OMCCTCLEBZHOIJ-UHFFFAOYSA-N 381.354 2.955 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 20405015 PGMPDMZVWJUNQO-UHFFFAOYSA-N 385.411 2.920 0 40 GFAB O=c1c(Cl)c(NCCN2CCOCC2)cnn1C12CC3CC(CC(C3)C1)C2 20533415 ZBJWTNJXFSTSAR-UHFFFAOYSA-N 392.931 2.566 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCC 32906700 NQYDGWVXRMQZKR-UHFFFAOYSA-N 399.490 2.688 0 40 GFAB CC(C)OC(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 22980412 HWSMRDFMTIRQJX-UHFFFAOYSA-N 379.416 2.680 0 40 GFAB Cc1cccc(CNC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 47376931 BHPXAICNXXBAIK-UHFFFAOYSA-N 376.482 2.741 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)NCC1(N2CCCCC2)CCCCC1 9048111 YNMXAWNEWOQVDE-UHFFFAOYSA-N 388.537 2.763 0 40 GFAB O=C(CCCOc1ccccc1F)N1CCN(c2cc(Cl)ncn2)CC1 78879548 KRXPYELTUBZQHJ-UHFFFAOYSA-N 378.835 2.777 0 40 GFAB COc1cc(C2=C3C(=O)OC[C@@H]3Cc3ccc4c(c32)OCO4)cc(OC)c1OC 1712912 IZWYDCDBSGRCKM-ZDUSSCGKSA-N 396.395 2.972 0 40 GFAB Cc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)nc1 79492947 WBNDLZIIDKGMIG-UHFFFAOYSA-N 378.432 2.844 0 40 GFAB CCc1ccc(NC(=O)[C@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 4492979 ZJDYXBIFWFZBDI-ZDUSSCGKSA-N 379.416 2.598 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc(C)c1C 6294456 SZDHSFBZHHMKMN-UHFFFAOYSA-N 381.479 2.664 0 40 GFAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(c2ncccn2)CC1 12513596 USFPQSONNAPKHC-GOSISDBHSA-N 394.523 2.616 0 40 GFAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C)oc1C 12517347 BNQAJUVDEHFVEL-UHFFFAOYSA-N 385.464 2.834 0 40 GFAB C[C@@H](C(=O)NCCSC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 7872047 SWRFKZYJSKTZNZ-LBPRGKRZSA-N 376.519 2.628 0 40 GFAB Cc1cnc(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)cn1 54594970 CNVDPKZVWUSZED-JTQLQIEISA-N 378.226 2.810 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]32)cc1 101169348 YTNTXHKIGHUMTN-RBUKOAKNSA-N 391.431 2.544 0 40 GFAB O=C(COc1ccccc1F)NC[C@H](c1ccc(F)cc1)N1CCOCC1 25784419 IOFYBJGQPVEMCE-GOSISDBHSA-N 376.403 2.533 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 8320013 NGILPAMHUKMWKO-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB COc1cc(C(=O)NCC(=O)NC[C@@H](C)c2ccccc2)ccc1OC(F)F 26754343 BNRLARXCTDBDNY-CYBMUJFWSA-N 392.402 2.946 0 40 GFAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 22350804 HLEFJVRFXZQOJW-OAHLLOKOSA-N 378.469 2.931 0 40 GFAB Cc1cccc(NC(=O)CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)c1C 58159934 QFWNWHGXAOOEPT-QGZVFWFLSA-N 381.476 2.951 0 40 GFAB CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(C)C 12731837 BAWRVRYBXDQYLH-UHFFFAOYSA-N 383.558 2.612 0 40 GFAB CCc1nc(N2CCN(C(=O)Nc3ccccc3)CC2)c2c(n1)c(C)nn2C 28557545 BBKOTOSXJRLBHI-UHFFFAOYSA-N 379.468 2.588 0 40 GFAB CSc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10374921 MWJGHFSKAFRJFJ-UHFFFAOYSA-N 390.530 2.992 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2ccc(O)cc2)CC1 12777853 IWJSAUSBPTZRKK-UHFFFAOYSA-N 377.444 2.968 0 40 GFAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@H](C)NC(=O)c3cccs3)C2)CC1 58330987 XOJZTQDRCZLVLE-IRXDYDNUSA-N 377.554 2.837 0 40 GFAB Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1 57670369 XTDGOZLJCMHBSN-TZIWHRDSSA-N 398.555 2.988 0 40 GFAB CCN1CCC(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 12887095 NQZGGIOBZNWVCE-UHFFFAOYSA-N 396.516 2.726 0 40 GFAB Clc1ccc(-c2nc(CSc3nnnn3C[C@H]3CCCO3)no2)cc1 29394384 GXYBXRNLYOZWCQ-GFCCVEGCSA-N 378.845 2.848 0 40 GFAB C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)N1CCc2ccccc21 3445404 UMLBZVNKPDYWFR-CYBMUJFWSA-N 397.479 2.792 0 40 GFAB Cc1c(C(N)=O)sc2ncn(Cc3cccc(Br)c3)c(=O)c12 2888658 OITYCCUVTCXVFP-UHFFFAOYSA-N 378.251 2.676 0 40 GFAB Cn1cc(C(N)=O)cc1C(=O)OCc1nc(-c2c(F)cccc2F)cs1 96013269 INBKTFCYTZWPTE-UHFFFAOYSA-N 377.372 2.883 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnnn1-c1ccccc1 4164975 KJSNHXYRMRHIDJ-UHFFFAOYSA-N 385.449 2.759 0 40 GFAB CNC(=S)N1CCc2nc(-c3cc(OC)c(OC)c(OC)c3)sc2C1 13684384 YTRCWJZPIZSGAQ-UHFFFAOYSA-N 379.507 2.698 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)c1C 6171044 OJKUKYCZJQQJMH-GFCCVEGCSA-N 399.476 2.972 0 40 GFAB Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)c2c(C)cc(=O)[nH]c2C)cc1 72312565 HKPLFGNXWUCTBJ-UHFFFAOYSA-N 394.431 2.590 0 40 GFAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 14188992 AWXHGNIGCFNLJN-UHFFFAOYSA-N 386.926 2.917 0 40 GFAB O=C(NCCc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4587812 HIDJJFFTWAKZTL-HXUWFJFHSA-N 378.403 2.770 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2c(C)n[nH]c2C)cc1 9454699 LPQUXQDSOSNKGG-UHFFFAOYSA-N 378.498 2.628 0 40 GFAB COc1ccc2nc(SCC(=O)NC[C@@H]3COc4ccccc4O3)[nH]c2c1 6657643 JJQRLSJXVMZNFF-CYBMUJFWSA-N 385.445 2.620 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc(Cl)cc2c1=O 6649020 ANKCMWZPSPBVSD-LBPRGKRZSA-N 396.834 2.814 0 40 GFAB O=C(CCc1ccccc1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819772 CJQCIDSITNUSTB-IBGZPJMESA-N 382.460 2.538 0 40 GFAB COc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc3ncccc23)CC1 6719020 TZSZEQYWZVWNDR-UHFFFAOYSA-N 390.443 2.531 0 40 GFAB Nc1nc(COc2cccc(N3CCCC3=O)c2)nc(Nc2ccccc2)n1 7064746 KWVZLQCSBVTHFT-UHFFFAOYSA-N 376.420 2.903 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)NCCSc2ccc(Cl)cc2)C1=O 9691540 GAQJSTFPHSYUPY-UHFFFAOYSA-N 383.901 2.659 0 40 GFAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1C 72040520 URUDNYYPPOKLIP-UHFFFAOYSA-N 379.507 2.621 0 40 GFAB C[C@H]1CN(CCCNC(=O)c2cnc3c(cnn3C3CCCC3)c2)C[C@@H](C)O1 70006669 YZMIMIXHELCFDH-IYBDPMFKSA-N 385.512 2.776 0 40 GFAB CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccccc1F 17044757 LNJVYQGKIITTFH-IBGZPJMESA-N 398.438 2.635 0 40 GFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc(Br)s1 72276870 UVLUXSYAYOYARO-UWVGGRQHSA-N 376.320 2.656 0 40 GFAB O=C(C1CCC1)N1CCN(CCN[C@H](CCc2ccccc2)C(F)F)CC1 95467441 XLOFUCSPYGJGTC-LJQANCHMSA-N 379.495 2.787 0 40 GFAB CCCn1nc(C(=O)Nc2cccc(CSCCC(=O)O)c2)ccc1=O 95425364 CIICKHVBQGLHBH-UHFFFAOYSA-N 375.450 2.614 0 40 GFAB COc1cccc(Cn2nc(C)c(NS(=O)(=O)c3c(C)noc3C)c2C)c1 28233999 VNGBNODQMKOBTI-UHFFFAOYSA-N 390.465 2.962 0 40 GFAB CCOc1ccc(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 67206176 PXVRBNNDZSZPCI-UHFFFAOYSA-N 382.460 2.815 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2s1 36357078 DARKZYCGLBCKBA-UHFFFAOYSA-N 395.491 2.649 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 408616862 CMVAVZOEYLTFJS-UHFFFAOYSA-N 398.488 2.812 0 40 GFAB c1cc(N2CCN(c3nccc(N[C@@H]4CCCOC4)n3)CC2)c2cc[nH]c2c1 528204818 HAKBTUINEVKNRA-MRXNPFEDSA-N 378.480 2.875 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1 408602338 DANBJRXKIYTWLY-OLZOCXBDSA-N 396.896 2.893 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCN(Cc3cccc(C)n3)CC2)cc1C 72390414 BIJNQENOFIEFGP-UHFFFAOYSA-N 389.521 2.604 0 40 GFAB C[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cccc2ccccc12 36389690 RINJUSYYZCNHPC-QGZVFWFLSA-N 375.476 2.629 0 40 GFAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ncnc4sccc34)CC2)[C@@H]1C 127548273 OQVMJADRHSWPEA-BFYDXBDKSA-N 387.553 2.754 0 40 GFAB O=C(Nc1ccc(F)c(F)c1F)C1CN(C(=O)COc2ccccc2F)C1 70814919 REMUVCLXRSHJLV-UHFFFAOYSA-N 382.313 2.719 0 40 GFAB Cn1c(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)c(Cl)c2ccccc21 566407897 QSWRYZWRCFLPJQ-UHFFFAOYSA-N 398.898 2.546 0 40 GFAB Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 40050668 YDWXXIOFMHLDNU-LJQANCHMSA-N 396.491 2.947 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224684144 KRQRXKHBKQCTDT-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 222966915 OCUOXMACNOHAPJ-GOSISDBHSA-N 384.476 2.936 0 40 GFAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(CN2CCOCC2)cc1 224564396 JCAJMTHWEXJKIQ-UHFFFAOYSA-N 394.924 2.792 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 195529198 FWILCURGPSGSGA-JZWGDYOSSA-N 389.496 2.882 0 40 GFAB O=C(O)CN(c1cccc(Br)c1)S(=O)(=O)c1cccs1 225123366 PLVSCHXZWBBDNH-UHFFFAOYSA-N 376.253 2.791 0 40 GFAB Cc1cc(NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)ccc1Br 238951632 XAZFGZIXKGDYFG-NSHDSACASA-N 376.254 2.595 0 40 GFAB O=C(Nc1cccc(OC(F)F)c1)[C@@H]1COCC(=O)N1Cc1cccs1 90608542 UKIOCGRTSZZBKR-AWEZNQCLSA-N 382.388 2.716 0 40 GFAB O=C(CCCc1nnc2ccccn12)Nc1n[nH]c(Cc2ccc(F)cc2)n1 96117146 AUMWWFQUUIJJGR-UHFFFAOYSA-N 379.399 2.539 0 40 GFAB COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96075670 ICOWWPUUQLPLAF-WZONZLPQSA-N 397.519 2.824 0 40 GFAB Cc1ccc(CN2CCCn3c(nc(CNC(=O)c4ccsc4)cc3=O)C2)o1 96059650 REUDJVWUXKJJFG-UHFFFAOYSA-N 398.488 2.542 0 40 GFAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)C(=O)O)cc1 242390222 AFJSLWNNGFFMOD-JFIYKMOQSA-N 379.865 2.618 0 40 GFAB O=C1C[C@H](c2cccc3ccccc23)c2c(O)nc(N3CCOCC3)nc2N1 585655821 VNYSHPYTGGRLHY-MRXNPFEDSA-N 376.416 2.646 0 40 GFAB Cc1cc(N2CCC(CNC(=O)C(=O)Nc3cc(F)ccc3F)CC2)ccn1 253406340 UKNGOILHIBEXQL-UHFFFAOYSA-N 388.418 2.640 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](Cc3cncc(-c4c(C)noc4C)n3)C2)cn1 257308110 TVLQCAPZCICVHK-HNNXBMFYSA-N 378.436 2.552 0 40 GFAB O=C(O)c1cnc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cn1 263472872 YJJADDDIQJRYAC-UHFFFAOYSA-N 395.444 2.713 0 40 GFAB CC[C@@H](C)[C@@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cnnn1 1615152112 RSYJGTRUMYZKGJ-XIKOKIGWSA-N 386.431 2.947 0 40 GFAB COCCn1cc(CNC(=O)N2Cc3ccc(C)c(Br)c3C2)cn1 661128829 QUNCWQCFXKGXBD-UHFFFAOYSA-N 393.285 2.826 0 40 GFAB CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1=O 661809169 IQLNOGBHAKYTLC-MRXNPFEDSA-N 384.307 2.821 0 40 GFAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)N[C@H]1CCNC1=O 665326620 BXQFWRTYVNRPKO-WMLDXEAASA-N 385.386 2.580 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@H]2C(=O)N[C@H]2CCC2(F)F)C1 585107352 SIFBEOKJUBCRCA-SUNYJGFJSA-N 381.423 2.838 0 40 GFAB O=C(c1ccnc(F)c1)N1CC[C@]2(C1)CN(Cc1ccccn1)c1cccnc12 585106377 MDJZHQAPMZXKRH-QFIPXVFZSA-N 389.434 2.815 0 40 GFAB O=S(=O)(C1CC1)N1CCC(CNc2ncnc3ccc(Cl)cc23)CC1 1776001693 HCHFPNIXYKPDHZ-UHFFFAOYSA-N 380.901 2.899 0 40 GFAB CC(C)Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)on1 1615118143 ARWBWDWGZKMUFN-UHFFFAOYSA-N 397.475 2.911 0 40 GFAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1n[nH]c(=O)c2ccccc12 5184059 SNUKSOQPHLKPAB-UHFFFAOYSA-N 388.379 2.875 0 40 GFAB Nc1ncnc(Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)n1 5740776 UEPLUMMOQDKQIN-UHFFFAOYSA-N 376.829 2.652 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 14153977 AIJCCMITCHILRL-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19458417 CDOIPLCOWFVQPY-NSHDSACASA-N 377.379 2.943 0 40 GFAB Cc1cc2ncc(CN(C)C)c([C@H]3CCCN3C(=O)Cc3csc(C)n3)n2n1 19743564 LBMDTYOZVDXORS-QGZVFWFLSA-N 398.536 2.770 0 40 GFAB CC(C)CNC(=O)c1cc([C@@H]2CN(c3ncccn3)CCO2)nc2ccccc12 19759566 GYWYUJZULRMJLR-FQEVSTJZSA-N 391.475 2.989 0 40 GFAB CC[C@@H](C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1)c1ccccc1 225601629 LFNRDEHQMVFEJT-LJQANCHMSA-N 380.492 2.698 0 40 GFAB Cc1ccc(NC(=O)CCOc2ccccc2F)cc1S(=O)(=O)N(C)C 15736419 KRGMKFBXGCQGJE-UHFFFAOYSA-N 380.441 2.792 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 2056223668 ZKXMMGQVKIOKJX-JOCHJYFZSA-N 381.524 2.950 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O)c1cccs1 2503916 YXEQXDMENYMCRC-CQSZACIVSA-N 387.314 2.836 0 40 GFAB COc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)c1 4479025 YEQGUJUPSPFIJR-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB Cc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(C)no3)sc2c1 13595931 UEWSCHWCSANYEG-UHFFFAOYSA-N 386.477 2.880 0 40 GFAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccccc1Cl 22767275 GPTNPEQSWOWVCP-HNNXBMFYSA-N 386.926 2.753 0 40 GFAB CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccn(C(C)C)n3)o2)cc1 36674888 NUEAKCGVMWNQCH-UHFFFAOYSA-N 389.437 2.560 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCS[C@@H](c2ccco2)CC1 219440807 PRITVOCZOFNANZ-QGZVFWFLSA-N 381.475 2.920 0 40 GFAB Cn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nc2ccccc2c1=O 5394691 AVUARTCMFHYXNP-UHFFFAOYSA-N 391.460 2.737 0 40 GFAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 25575069 BLNDHQPEZSQDRI-UHFFFAOYSA-N 382.869 2.708 0 40 GFAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C)cc2)sc2cc(NC(C)=O)ccc21 100876875 VSPRAAFNZYGDPB-XDOYNYLZSA-N 397.456 2.884 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)NCCCCN3C[C@H](C)C[C@@H](C)C3)cnc12 40146753 ZAKCWKPETFVHKF-IAGOWNOFSA-N 384.524 2.579 0 40 GFAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 31813698 GRXXRSITXBQERC-MRXNPFEDSA-N 377.404 2.784 0 40 GFAB CN(Cc1cc(O)nc2ccccc12)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 101508706 OVTAUJKUYFBAAQ-LJQANCHMSA-N 375.428 2.700 0 40 GFAB Cc1ccc2c(COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc(=O)oc2c1 21454292 BLBZKJXJAGRTJQ-CQSZACIVSA-N 381.384 2.786 0 40 GFAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 21564216 QTBBJYVVHGDDOI-AWEZNQCLSA-N 382.445 2.709 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 800516 LDBCIKJZOGVAHP-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB CCN1CCN(C(=O)C2CCN(Cc3cccc(Br)c3)CC2)CC1 819250 BDRSYFDJOXZFPT-UHFFFAOYSA-N 394.357 2.825 0 40 GFAB CCc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 1424323 XWUVEYUPKZXXMS-UHFFFAOYSA-N 387.505 2.718 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 2257864 OZRKMCBBUCKPHI-UHFFFAOYSA-N 386.379 2.929 0 40 GFAB Cc1cccc2cc(CN(CCCO)C(=S)NCc3ccco3)c(=O)[nH]c12 4131815 ZIBLKIJHYDYESV-UHFFFAOYSA-N 385.489 2.689 0 40 GFAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cn2nc(O)c3ccccc3c2=O)cc1C 4278181 SNKUIQRIZVSVQL-AWEZNQCLSA-N 380.400 2.534 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1 4324683 QUZYOWNSHHPWQW-UHFFFAOYSA-N 379.460 2.722 0 40 GFAB O=C1N[C@@H](c2ccccc2F)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4387407 JKHHWXQVBXGWHG-GRDNDAEWSA-N 382.313 2.930 0 40 GFAB Cc1ccc(C)c(OCCC(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 5013447 OBMCOVHWHQZKGB-UHFFFAOYSA-N 376.453 2.774 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1F 5059462 RJEKSNISYMZHOV-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB CC(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 5291226 ILRQASJFLQGOIB-UHFFFAOYSA-N 383.448 2.895 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(C)n1C 5792299 CDLXTUDRDBRLLX-LJQANCHMSA-N 375.375 2.570 0 40 GFAB CCOC(=O)CCCNC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5861237 KMZOSPSZMDRKHA-UHFFFAOYSA-N 397.427 2.534 0 40 GFAB CCN(CC)CCC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 6586665 ICDBILCBWYLLDS-MRXNPFEDSA-N 397.523 2.735 0 40 GFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(F)c(F)c1F 6599783 YQUXGODACAJHPT-UHFFFAOYSA-N 391.349 2.599 0 40 GFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1ccccn1 6660971 PGTDIVFDRAWIQL-IBGZPJMESA-N 393.443 2.694 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 6728342 FFITZYKIUSTAHC-MRXNPFEDSA-N 390.505 2.898 0 40 GFAB O=c1c2cccnc2n(Cc2ccccc2F)c(=O)n1Cc1ccc(F)cc1 6805117 FNXDENHQENLTHP-UHFFFAOYSA-N 379.366 2.933 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6811039 MMQDFXHKKLQBRT-KRWDZBQOSA-N 391.464 2.729 0 40 GFAB Cc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6811043 ACDRMNSFWOIGLA-KRWDZBQOSA-N 391.464 2.729 0 40 GFAB Cc1ccc2c(c1)CCCN2CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 7214446 YDDPBTGMXMTXBP-HXUWFJFHSA-N 398.528 2.968 0 40 GFAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc(-n2cnnn2)c1 7646315 ZFIGSJSZCIDBPC-UHFFFAOYSA-N 399.410 2.911 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 7738656 CANPLOCXOFBTPX-HNNXBMFYSA-N 393.443 2.544 0 40 GFAB CCCNC(=O)CN(C)C(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 7783230 HJJHMQRRCBHBSN-MDZDMXLPSA-N 392.862 2.971 0 40 GFAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 7825675 OXIFJULPDYCMFL-INIZCTEOSA-N 395.242 2.912 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 8036087 QEBHFVPHLQNSEZ-UHFFFAOYSA-N 392.462 2.730 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)NC4=NCCS4)c(=O)c23)cc1 8328093 XNHHRPWBXMOWFD-UHFFFAOYSA-N 384.486 2.652 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1C 8935364 VZKFKSVVPVXXSK-MRXNPFEDSA-N 377.466 2.700 0 40 GFAB COc1c(F)c(F)cc2c(=O)c(C(=O)NCc3ccncc3)cn(C3CC3)c12 8991681 SWNGIKVFSRIWET-UHFFFAOYSA-N 385.370 2.948 0 40 GFAB COC(=O)CCCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 9050344 PYUMEDAXZWEKQU-UHFFFAOYSA-N 390.509 2.594 0 40 GFAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N1CCc2ccccc2C1 9074683 HZYQZOZAHLMRNX-ZDUSSCGKSA-N 396.468 2.861 0 40 GFAB COc1ccc(OC)c(N/C(C)=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 9108574 ZPOFYRBSIDKNMG-AQTBWJFISA-N 395.415 2.981 0 40 GFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)CC2CCCC2)c(=O)[nH]c1=O 9500108 BCTXPCNXHNCJFY-UHFFFAOYSA-N 388.468 2.625 0 40 GFAB CCn1cc(C(=O)Nc2nnc(C)s2)c2nn(-c3ccccc3)c(=O)c-2c1 9661477 ZEXDYZGWCBQDIN-UHFFFAOYSA-N 380.433 2.571 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1cccc(C)c1 10300902 JFIOADOCMQBTKJ-UHFFFAOYSA-N 388.489 2.786 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)cc2n1 12134607 HHRDOHJMKRLCFG-HNNXBMFYSA-N 397.479 2.941 0 40 GFAB CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)O)cc2)cc1 12992853 WRFIWDIGWHRZEJ-UHFFFAOYSA-N 384.432 2.610 0 40 GFAB Cc1ccc([C@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 13258364 NCGGATBBNSRLAU-AWEZNQCLSA-N 382.338 2.508 0 40 GFAB COc1cccc(CNC(=O)CCCNC(=O)N2CC(O)=Nc3ccccc32)c1 13625150 GHAWFUHNEJIHKL-UHFFFAOYSA-N 396.447 2.909 0 40 GFAB CN(C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 13632779 HQLVDBGLPTXYGA-UHFFFAOYSA-N 390.461 2.625 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 13685660 CUDFNCKDBSXOQQ-LLDVTBCESA-N 378.469 2.518 0 40 GFAB CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)N2CCSCC2)=NC1=O 13733075 FPPGPULYXXQGEY-OAQYLSRUSA-N 396.516 2.715 0 40 GFAB C[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)N1c2ccccc2C[C@@H]1C 14148214 SEDHUENNNSUOGG-HOTGVXAUSA-N 390.443 2.850 0 40 GFAB C/C=C/c1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC 14245401 HYAIGRXURLQBKW-GQCTYLIASA-N 384.432 2.928 0 40 GFAB Cc1cccc(N2CCN(C(=O)C[C@H](NC(N)=O)c3cccs3)CC2)c1C 14287997 KZNAMKDSAQPRDU-INIZCTEOSA-N 386.521 2.813 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1Cl 15674475 HDGKTOSWIUCFAS-UHFFFAOYSA-N 386.886 2.618 0 40 GFAB COc1ccc(CNC(=O)Cn2c(S)nnc2-c2cccs2)cc1OC 17298847 FOBRYDXNYVGHQO-UHFFFAOYSA-N 390.490 2.629 0 40 GFAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 17326667 JHUYJCAUGLZJAC-BETUJISGSA-N 376.482 2.642 0 40 GFAB CC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 18133495 IFHDMZKZXSVWRC-FQEVSTJZSA-N 399.466 2.766 0 40 GFAB CC(C)NC(=O)[C@H]1CN(Cc2ccsc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19450091 IUJBALGLLKHXBJ-ROUUACIJSA-N 399.564 2.879 0 40 GFAB CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19502136 KCEVYYSXRGMEHG-RTWAWAEBSA-N 398.555 2.901 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nn1C 19709069 UHODFRSEAHACEV-INIZCTEOSA-N 382.917 2.661 0 40 GFAB COc1ccc(CN(C)C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC 20458208 LWSRWXRSMGKERC-UHFFFAOYSA-N 396.443 2.739 0 40 GFAB CC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O 20589667 GEQKXLRMVMZAHK-GOSISDBHSA-N 375.350 2.870 0 40 GFAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCc2ccccc2C1 20727873 XQGLSNJCJZBRGH-UHFFFAOYSA-N 384.237 2.623 0 40 GFAB CCOC(=O)c1c(C)oc2nc(CN3CCN(c4ccccc4)CC3)nc(N)c12 22023859 IDUHSIPVWBCLDM-UHFFFAOYSA-N 395.463 2.612 0 40 GFAB CCCNC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232433 OSKNBCFKIZEUBG-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 22326995 VLVANDWJXCUNKS-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1cnn(-c3ccccc3)c1)C2=O 23731025 PCLCPZRQDIZMNL-KKSFZXQISA-N 381.480 2.762 0 40 GFAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1cccnc1 31942207 OKHVYJGMDYHDDE-LJQANCHMSA-N 385.489 2.843 0 40 GFAB COCCOc1ccc(S(=O)(=O)N(C)CCOc2ccc(F)cc2)cc1C 32831133 OFCLGFCKFTWPTD-UHFFFAOYSA-N 397.468 2.859 0 40 GFAB Cn1cc(-c2nnc(SCC(=O)c3ccccc3)n2C[C@@H]2CCCO2)cn1 36631404 UPJSMFFRRIQLTL-INIZCTEOSA-N 383.477 2.833 0 40 GFAB CN(Cc1ccccc1N1CCCC1)C(=O)CCS(=O)(=O)C1CCCC1 40120383 DCYZPWXUXVNUOK-UHFFFAOYSA-N 378.538 2.993 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)c1 41626469 ZRGPQRPHKLLODO-INIZCTEOSA-N 375.469 2.561 0 40 GFAB CN(Cc1nc2c(oc3ccccc32)c(=O)[nH]1)C[C@H]1COc2ccccc2O1 43765063 KMWACAPFRVRNTH-ZDUSSCGKSA-N 377.400 2.941 0 40 GFAB Cc1cccc2c1ncn1c(=O)n(CC(=O)Nc3ccc(Cl)cc3F)nc21 44166069 RLIYDOURHVWDDJ-UHFFFAOYSA-N 385.786 2.784 0 40 GFAB CCc1ccc(NC(=O)Cn2c(C)cc3nc4sc(C)nn4c(=O)c32)cc1 51357379 CJZJCCRELDIEPP-UHFFFAOYSA-N 381.461 2.924 0 40 GFAB O=C(NCc1cccc(N2CCOC2=O)c1)[C@@H]1CCCN1Cc1ccccc1 57175174 SOKMVSLYCCJPBZ-FQEVSTJZSA-N 379.460 2.924 0 40 GFAB O=C(NCCSCc1ccccc1F)[C@H]1CC(=O)N(Cc2ccco2)C1 57743457 VDLVIHTZGQNYQG-HNNXBMFYSA-N 376.453 2.817 0 40 GFAB CN(C)CC(=O)Nc1cccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)c1 58218406 JNKVVRHMMNVVFC-UHFFFAOYSA-N 377.448 2.507 0 40 GFAB O=C(Cn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O)NC1CCCCCC1 63864057 QSWJPZWJBWYNAR-UHFFFAOYSA-N 397.475 2.911 0 40 GFAB O=C(CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1)N1CCOCC1 72348731 DLQNAGHSBNWZDS-UHFFFAOYSA-N 397.494 2.850 0 40 GFAB C[C@@H](CCN1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 72394676 IRUCFYGRANCSFQ-HKUYNNGSSA-N 382.508 2.590 0 40 GFAB Cc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1 79047605 BWUPDTHFULZLNG-UHFFFAOYSA-N 388.367 2.794 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 84041179 GVANMTYSJKCUEY-OAHLLOKOSA-N 387.910 2.713 0 40 GFAB O=C(NCCCOCc1ccco1)[C@H]1CCCN1c1ncnc2ccccc12 89872895 ZJUVYBJWDAKLNX-LJQANCHMSA-N 380.448 2.915 0 40 GFAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(CCC(=O)NC5CC5)CC4)c23)C1 89930130 NZJKVKRKPWKCLH-CQSZACIVSA-N 399.564 2.607 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1nc(C2CCCC2)no1 95962213 VQVQDABLHMXGPQ-NSHDSACASA-N 390.465 2.651 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)c3ccc(Cl)c(F)c3)CC2=O)cc1 95992799 IQWHMFLMANWYLR-KDOFPFPSSA-N 390.842 2.990 0 40 GFAB COc1cc(N2CCC[C@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)ncn1 96216564 RORZJSWTPWTBNA-QFIPXVFZSA-N 395.507 2.684 0 40 GFAB Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100557654 WDTQHPVAXAGVJS-FLFBIERCSA-N 395.455 2.553 0 40 GFAB COCCN1C[C@H](c2cc(O)n3ncc(-c4ccc(Cl)cc4)c3n2)CC1=O 100775958 ZPXHKWKEHARTSM-CYBMUJFWSA-N 386.839 2.718 0 40 GFAB COC(=O)[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 101886131 UBBSYLXGXDFTHB-IINYFYTJSA-N 387.263 2.523 0 40 GFAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCN(C)CC2)cc1 101892695 FSXJZJKKJSELCQ-UHFFFAOYSA-N 389.459 2.785 0 40 GFAB CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 108057796 YPTDMWGPTWQLPT-KWCYVHTRSA-N 375.412 2.845 0 40 GFAB COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206785990 SHIHCTLXCBNEPL-HNNXBMFYSA-N 393.365 2.896 0 40 GFAB CCc1ccccc1N(CC(=O)NCCOc1ccccc1C)S(C)(=O)=O 223630468 COWLZHKDTOAWSW-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224792675 MOHKZIXADWJHMV-UHFFFAOYSA-N 393.461 2.771 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccc(F)cc3)ccc21 225680374 VYXABNVFYFQKDI-UHFFFAOYSA-N 380.466 2.650 0 40 GFAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(Cc2ccccc2)CC1 253399438 JHNLYVPVRYXLGV-INIZCTEOSA-N 392.459 2.748 0 40 GFAB biogenic,in-vitro O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 253470859 ACPKZNVRFJHXPA-INIZCTEOSA-N 394.431 2.796 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)Cn3ccnc3)CC2)ncn1 257226825 FMIXUQJHTCVJFT-KRWDZBQOSA-N 394.479 2.816 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n1 257266708 MEDIYMUSUUMPEA-LJQANCHMSA-N 392.459 2.884 0 40 GFAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257338661 YYJOGOXYKNIKRY-LJQANCHMSA-N 392.503 2.888 0 40 GFAB O=C(Cc1ccccc1F)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257340380 ZFUHSRDPLBPACQ-CTNGQTDRSA-N 396.462 2.599 0 40 GFAB CCOc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260834755 ODQYVJVFBCVSBE-OXJNMPFZSA-N 386.473 2.628 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C)c2)cc1Cl 408555365 WUEFTWBNBNYGHQ-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB O=C(CN1C(=O)N/C(=C/c2ccc(O)c(Cl)c2)C1=O)Nc1ccccc1F 409200804 JSJQJZDKUDEFSK-RIYZIHGNSA-N 389.770 2.716 0 40 GFAB Cc1ccc(Br)cc1C(=O)NCCn1nc(C2CC2)ccc1=O 575607019 HXGYQPANMWBURG-UHFFFAOYSA-N 376.254 2.622 0 40 GFAB Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(-c4cc[nH]n4)s3)CC2)cc1 578714667 CVXJOHMAWIGXMC-UHFFFAOYSA-N 394.500 2.974 0 40 GFAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CCN[C@H](c2ccccc2Cl)C1 585080108 ITYPJOKNEMZQNH-SFHVURJKSA-N 397.862 2.930 0 40 GFAB COc1ccc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(C)c1OC 585084404 RVFFASHTFDFZID-GOSISDBHSA-N 396.553 2.839 0 40 GFAB Cc1cc(C)nc(N2CCC3(CC[C@H](CNC(=O)OC(C)C)OC3)CC2)n1 585101253 RKCANEAPHJFMSM-QGZVFWFLSA-N 376.501 2.994 0 40 GFAB O=C(CSC1CCCC1)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440919 UUKNLWCFSCNMTP-LBPRGKRZSA-N 386.315 2.895 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1ccccc1Br)C2 618256256 FQKAFZBHRZVXEN-GFCCVEGCSA-N 375.270 2.592 0 40 GFAB CC(=O)OC[C@@]1(CC(=O)N2CCCC2)CCCN1C(=O)c1ccc(C)c(C)c1 643586848 FUOIJQDESHFGTE-QFIPXVFZSA-N 386.492 2.854 0 40 GFAB CC(C)O[C@@]1(CS(=O)(=O)N2CCC[C@H]2Cc2cccc(F)c2)CCOC1 659891687 INQBJEDYJVSTBG-OALUTQOASA-N 385.501 2.747 0 40 GFAB CN(c1nnc(-c2cnsn2)n1C[C@@H]1CCOC1)[C@H]1CCc2ccccc21 1120424448 ZZTQHRBQKUIEHP-GUYCJALGSA-N 382.493 2.957 0 40 GFAB C[C@@H](NC(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1nc(C(F)(F)F)n[nH]1 1563233411 WAKFFNCAHPQSIY-ANRSDYALSA-N 398.345 2.661 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965680 JOKWLZFUOYJDEG-HXUWFJFHSA-N 395.459 2.811 0 40 GFAB CN1C(=O)C2(CCN(c3ncnc4[nH]cnc34)CC2)C[C@@H]1Cc1cccc(F)c1 2037844077 NQDGJCSDTKJWQU-INIZCTEOSA-N 394.454 2.552 0 40 GFAB Cc1ccnn1CCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912625 QYSMNZHMGVMOSJ-HXUWFJFHSA-N 375.444 2.543 0 40 GFAB Cc1ccnc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037989061 SWOGADFEYQKFEE-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F 47674791 WZFNODXMXIEQTA-NSHDSACASA-N 379.346 2.693 0 40 GFAB CCc1nc(NC(=O)CN2CCCN(C(=O)OC(C)(C)C)CC2)sc1C 78623966 YEOJIBZDNUBQJP-UHFFFAOYSA-N 382.530 2.895 0 40 GFAB CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc12 1320766 SDKJCLORUOAKIC-UHFFFAOYSA-N 385.401 2.914 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1 2641433 OFZNICHXEZSBEN-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n(C)n1 2735707 OMUFRGTWERADEM-UHFFFAOYSA-N 391.449 2.576 0 40 GFAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)CN(C)C)nc3[C@@H](C)[C@H]21 3840025 JHFPQPTXQSCVTD-IGICUXDGSA-N 391.537 2.897 0 40 GFAB biogenic,in-vitro CCOCCCNC(=O)CSc1nnc2c3cc(CC)ccc3n(C)c2n1 4856395 SFVMLDKCUAJSDQ-UHFFFAOYSA-N 387.509 2.714 0 40 GFAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 6971035 LZRGKILUANJQCV-FOWTUZBSSA-N 380.404 2.721 0 40 GFAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1N1CCOCC1 7098058 IMSYMGXGFYGIOH-UHFFFAOYSA-N 395.488 2.835 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 25179744 ZQILTINEPLTERE-IBGZPJMESA-N 398.434 2.956 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)ccc2N1 25376172 DXVOGMCCYHMXAI-VXGBXAGGSA-N 376.400 2.971 0 40 GFAB COCCNC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 3222224 IYUIEOHPOZVRFF-UHFFFAOYSA-N 379.395 2.671 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1OCC(N)=O 56160613 DNMQENFWBRLSBG-LLVKDONJSA-N 377.828 2.652 0 40 GFAB COCCCNc1cnn(C23C[C@H]4CC(C[C@@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101311036 CMBTUTCYOMITKY-WLJWTVCWSA-N 395.887 2.581 0 40 GFAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)c1 57492327 YDZPSKQNIZRIFF-UHFFFAOYSA-N 385.489 2.745 0 40 GFAB COC(=O)c1cc(C)nc2nc(SCc3ccc4c(c3)OCCO4)nc(O)c12 57812710 UJGHCJBPKZUUQO-UHFFFAOYSA-N 399.428 2.889 0 40 GFAB CC(C)Cc1ccc([C@@H](NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 58069270 GBFIFHNBGBWTHU-CTNGQTDRSA-N 394.581 2.817 0 40 GFAB CC1CCN(C(=O)[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 58155863 VJAXAPJODIFKAG-QGZVFWFLSA-N 387.480 2.595 0 40 GFAB COc1cccc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1OC 113859919 CEYPOLWSKFSKSW-UHFFFAOYSA-N 386.496 2.613 0 40 GFAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)O)cc1 3399353 IEVNWNRFKYDUGZ-SFHVURJKSA-N 384.432 2.952 0 40 GFAB CCc1ccccc1N(CC(=O)N(C)Cc1ccccc1OC)S(C)(=O)=O 22530183 JRKPMBCHPBSTOJ-UHFFFAOYSA-N 390.505 2.682 0 40 GFAB CCn1ccc(-c2cc(C(=O)N[C@@H](C)Cn3ccc(C)n3)c3c(C)noc3n2)n1 36618006 RNHMCIMFHDNMBU-ZDUSSCGKSA-N 393.451 2.738 0 40 GFAB CCN(CC)C(=O)C1CCN(C(=O)N[C@H](C)COc2cccc(F)c2)CC1 58291407 NYLDRAGRDSXVSH-OAHLLOKOSA-N 379.476 2.883 0 40 GFAB COc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 52781230 UZWFWTCHEQZRLM-UHFFFAOYSA-N 388.489 2.815 0 40 GFAB COc1ccc(OC)c(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 12883497 RVJZTSLBJOBQNA-UHFFFAOYSA-N 378.469 2.967 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 2619826 NPJBYWMLDYUBTN-SFHVURJKSA-N 375.787 2.885 0 40 GFAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 3479022 DIKPKJDFRLKHDJ-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB Cc1[nH]c(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(C)c1C(=O)OC(C)C 47229116 QAMWUJLZYKTBCV-KRWDZBQOSA-N 397.475 2.900 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1ccc2c(c1)OCCO2 12906365 WUVPBBZHXNFSSI-UHFFFAOYSA-N 375.446 2.741 0 40 GFAB COC(=O)Cc1ccc(OC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 12913324 PJRZNOQEUAXGRJ-UHFFFAOYSA-N 396.848 2.825 0 40 GFAB O=C(CSc1nnc(NC2CC2)s1)N[C@H]1CCN(Cc2ccccc2)C1 12903549 VOVYRTJUNOZJOR-HNNXBMFYSA-N 389.550 2.595 0 40 GFAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCn3ccnc3)ccc12 5206935 MCYMXUAUYFRKKE-HNNXBMFYSA-N 383.448 2.834 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 19677226 MHIZMONHTBYDGZ-UHFFFAOYSA-N 379.434 2.758 0 40 GFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc21 19660669 BVOAKFCZMXKJQJ-UHFFFAOYSA-N 398.488 2.846 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4472919 PKAUUKDVIYWDQE-WVMBZCLNSA-N 381.428 2.770 0 40 GFAB COc1ccc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 14183420 OOXBKVPAAPXCSL-UHFFFAOYSA-N 378.538 2.939 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2OC)CC1=O 4512432 WAPDOIYTISBHOS-INIZCTEOSA-N 396.443 2.792 0 40 GFAB COc1cc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc(OC)c1O 4519954 MEDMPBQAOMOYRJ-CQSZACIVSA-N 399.374 2.880 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)C[C@H](C)O1 5523904 VGDLFVMQUHPTEW-HOTGVXAUSA-N 394.537 2.889 0 40 GFAB O=C1Cc2cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)ccc2N1 6646357 VVMBKTBGIXTFJX-UHFFFAOYSA-N 395.396 2.935 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)cc2)c1 14820107 WTGORGQPDRWADL-UHFFFAOYSA-N 390.505 2.998 0 40 GFAB COc1cc(C(=O)OCC(=O)NCc2ccc(C)c(C)c2)cc(OC)c1OC 67197536 UUZMLVRBKCLZAD-UHFFFAOYSA-N 387.432 2.802 0 40 GFAB CCCN1CCc2nc(SCC(=O)Nc3cccc(OC)c3)nc(O)c2C1 67291693 MOSDKISOIMKNGZ-UHFFFAOYSA-N 388.493 2.690 0 40 GFAB CCNC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc(O)c(OCC)c1)CCO2 306134131 NEBFHRAJPYSJBH-CTNGQTDRSA-N 391.512 2.624 0 40 GFAB CCc1ccc2nc(NC(=O)N3CCC(C(=O)NCCCO)CC3)sc2c1 72318895 MULSFVWJYHOKSJ-UHFFFAOYSA-N 390.509 2.601 0 40 GFAB Cn1cc(CN2CC[C@@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)cn1 306128767 HJYNDDQNTHWOHR-HXUWFJFHSA-N 379.489 2.681 0 40 GFAB COc1cccc(CN(C)C(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1 7912647 ZGRSYEVYHNMWBY-UHFFFAOYSA-N 389.883 2.878 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 8135004 FFOWDIBRBHUTOB-SFHVURJKSA-N 380.473 2.964 0 40 GFAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 84651782 VLYFGMGVZMZTKD-HNNXBMFYSA-N 378.432 2.849 0 40 GFAB O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)NCc1ccccc1 8763052 YWCKDJVFFPQWFG-UHFFFAOYSA-N 397.504 2.928 0 40 GFAB O=C(Nc1cccc(-n2cnnn2)c1)c1cccc(OCc2cscn2)c1 8883811 REBFKIILCCHOAL-UHFFFAOYSA-N 378.417 2.950 0 40 GFAB CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)CCO1 84736492 SPLJZHGLYWNQBJ-BHIFYINESA-N 385.552 2.753 0 40 GFAB CN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1)S(C)(=O)=O 22230897 VTXJYLKWYCYQLW-UHFFFAOYSA-N 388.367 2.517 0 40 GFAB CC(C)(C)OC(=O)NC1CN(C2CCN(C(=O)OCc3ccccc3)CC2)C1 39952020 MZPCJQVDYBMIOK-UHFFFAOYSA-N 389.496 2.997 0 40 GFAB O=C(c1cnccn1)N1CCC2(CC1)Cn1c(-c3ccsc3)cnc1CO2 306136301 PPFQNXMOOUTILC-UHFFFAOYSA-N 381.461 2.607 0 40 GFAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2O)CC1 33002099 LLIHCZYXSKPWOY-UHFFFAOYSA-N 386.473 2.604 0 40 GFAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2cccnc2)n1 35425009 SFDLPEIBRVEAQN-KRWDZBQOSA-N 381.436 2.889 0 40 GFAB biogenic,in-vitro Cc1cccc(N2C(=O)[C@H](Cc3ccccc3)N(CN3CCOCC3)C2=S)c1 72332321 RKJSZGJJDZRCCN-FQEVSTJZSA-N 395.528 2.830 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218532247 PKUDCTXBOKGATM-LNLFQRSKSA-N 393.892 2.788 0 40 GFAB COc1cccc(-c2noc(CNC(=O)c3cccc(N4CCCC4=O)c3)n2)c1 219216765 MITBVCZABQFBPU-UHFFFAOYSA-N 392.415 2.802 0 40 GFAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2cc[nH]n2)c1 72377116 XOHUHLVXWHSNED-QGZVFWFLSA-N 378.436 2.825 0 40 GFAB O=C(O)C1(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 571763188 CSUAGESHMHLLBC-GFCCVEGCSA-N 388.247 2.855 0 40 GFAB O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 77197598 NRRKUMXWHRFXQM-QFIPXVFZSA-N 392.499 2.895 0 40 GFAB COCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccc(Br)cc1 40372720 LEBQADQPINCGSQ-UHFFFAOYSA-N 391.225 2.795 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2cccc(C)c2)ccc1Cl 225124886 CKZBCXIUJQINPT-UHFFFAOYSA-N 383.853 2.792 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(C)C)cc2)cc1 225094221 HKCQHLUZXHBXKP-UHFFFAOYSA-N 392.477 2.742 0 40 GFAB C[C@@H](c1nnnn1-c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 94992593 VTUYFZLIQBDMAI-JTQLQIEISA-N 398.220 2.782 0 40 GFAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)CN3CCCCC3)CC2)C1 257226275 FJYLATFOBOPMNJ-HXUWFJFHSA-N 389.515 2.898 0 40 GFAB COCCC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@H]1OCCC[C@@H]12 257330679 XPLKLNNDIVAHCW-QFBILLFUSA-N 375.465 2.953 0 40 GFAB C[C@@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 604383280 RUPBFDUQQBBEAU-SXWKCWPCSA-N 378.472 2.920 0 40 GFAB biogenic,in-vitro COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@H]1CCCO1 260912449 FUPIZKCEEWRMFZ-AYOQOUSVSA-N 386.521 2.681 0 40 GFAB CCOc1ccc(N(CC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 260796089 SXYWBFTVLSVZDT-INIZCTEOSA-N 390.505 2.771 0 40 GFAB CC(C)CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@H]2C)n1 260742573 XKTPOMUTIQXHAE-OAHLLOKOSA-N 392.573 2.634 0 40 GFAB O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccccc1Br 90596944 ZXCCMELTFRLWIG-INIZCTEOSA-N 382.279 2.561 0 40 GFAB CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2C(=O)O)C1 634881935 ZCYVNKORWWGXNG-NSHDSACASA-N 382.407 2.678 0 40 GFAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(C(F)(F)F)cnc1O 635216666 MANYMYIJQZQGQT-MRXNPFEDSA-N 395.381 2.609 0 40 GFAB CN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2cccc3ccccc23)CC1 670416162 UITOVSSVEFEOAD-QGZVFWFLSA-N 389.459 2.561 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nc1 599889422 OAFHZVMCPYJMSL-GDBMZVCRSA-N 394.349 2.667 0 40 GFAB COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)cc1 270002954 YQQVPDZHIVDZEQ-UHFFFAOYSA-N 394.397 2.785 0 40 GFAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cccc(O)c2)C3)n1 575402799 CIAITYZDQMXGJQ-INIZCTEOSA-N 383.448 2.581 0 40 GFAB O=C(Cc1cccc(F)c1F)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108796 JUMVHNUNPNXFIQ-WFXMLNOXSA-N 388.414 2.878 0 40 GFAB CN(C)C/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 585292551 OLSSMGBXBAFKIW-NADMHLTPSA-N 380.496 2.514 0 40 GFAB O=C(NCC1(c2ccccc2)CCC1)c1nc(N2CCOCC2)ncc1Cl 42127792 XCYXGOUORVNMLB-UHFFFAOYSA-N 386.883 2.818 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2(c4cccc(F)c4)CCCC2)[C@@H]3C1=O 12143150 RISPHMWWMLWOKF-FZONSQQESA-N 398.478 2.902 0 40 GFAB C[C@H]1C(=O)[C@@]23[C@H]4[C@@H](O)C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H](O)[C@@]41C 13407129 MDODVBXGWQIKBY-RZVHCXFOSA-N 392.536 2.916 0 40 GFAB COc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1OC 13569036 ILGKFUGMIGEPLU-UHFFFAOYSA-N 385.508 2.823 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccccc1Cl 14120779 KBZGGFHTUMTRTE-UHFFFAOYSA-N 387.867 2.832 0 40 GFAB Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 18202097 IMJMOCMUBHPPLH-UHFFFAOYSA-N 392.546 2.909 0 40 GFAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19236042 LFBDPYHAELTWKF-GOSISDBHSA-N 394.519 2.866 0 40 GFAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 19402041 ZOZAXSIHVPYVJG-VQTJNVASSA-N 398.551 2.939 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935448 CAJLPXLFRXJQLH-CYBMUJFWSA-N 388.917 2.808 0 40 GFAB O=c1c2cnc(N3CCOCC3)nc2ccn1-c1cccc(Cl)c1Cl 19958776 FJDGRVSRNWJRMR-UHFFFAOYSA-N 377.231 2.924 0 40 GFAB CCCCC(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 7599456 FXQBKEUOIGGGRU-UHFFFAOYSA-N 381.523 2.539 0 40 GFAB COc1ccc2oc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)c(C)c2c1 12143516 LEASYLHENWKNKP-UHFFFAOYSA-N 383.448 2.922 0 40 GFAB Cn1cc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)c(C2CCOCC2)n1 659138409 HCOXTAGQBYRDFF-UHFFFAOYSA-N 393.827 2.683 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 6053979 SJJWOJGSYSETLK-FMIVXFBMSA-N 379.372 2.940 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2ccnn2C)o1 1888987344 ZDJMOSZGMGCALQ-UHFFFAOYSA-N 388.811 2.597 0 40 GFAB O=S(=O)(N[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1)C1CC1 1889145777 RTUGRAVQVPLKBJ-CYBMUJFWSA-N 378.416 2.631 0 40 GFAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 13714338 VZPSWBGDKKTBQT-GOSISDBHSA-N 391.471 2.843 0 40 GFAB O=c1c2nccnc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc(F)cc1 16842646 KMTWFWJHGMJMIY-UHFFFAOYSA-N 396.809 2.842 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)c(C)c1 23002442 OMKWEBVJWOWTLK-UHFFFAOYSA-N 389.521 2.931 0 40 GFAB COc1ccccc1OCC(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 36700024 MBGPIYLYCSIDPL-OAQYLSRUSA-N 384.476 2.654 0 40 GFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225679510 DHVGZLFEAUPWAD-GFCCVEGCSA-N 389.458 2.598 0 40 GFAB CC[C@H](C(=O)N1CCN(CCNC(=O)c2ccsc2)CC1)c1ccccc1 42383010 IQXFUQSUZMDPBW-IBGZPJMESA-N 385.533 2.816 0 40 GFAB NC(=O)[C@@H]1CCCN1[C@@H](C(=O)O)c1c[nH]c2ccc(OCc3ccccc3)cc12 20715694 QPDFYGBRIGZVIP-VQTJNVASSA-N 393.443 2.822 0 40 GFAB COc1cc2ncn(CC(=O)N[C@@H](C)CCCC(C)C)c(=O)c2cc1OC 20761770 PRHRWOIZPIWNDU-AWEZNQCLSA-N 375.469 2.745 0 40 GFAB biogenic COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)NC4=C3C(=O)OC4(C)C)o2)cc1 101716147 QXUPCTHXNHGYJR-ZDUSSCGKSA-N 381.384 2.926 0 40 GFAB CC(C)n1nccc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 101943662 KNEBVGDGVRGBHE-UHFFFAOYSA-N 377.470 2.572 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1NS(C)(=O)=O 32771564 MWMLEQKLBWWZLE-LBPRGKRZSA-N 395.456 2.953 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc(C)c1C 32893947 DVSJJLVFGBJXBZ-UHFFFAOYSA-N 379.482 2.894 0 40 GFAB COc1cccc(NC(=O)[C@@H](NCCC(=O)N2CCCC2)c2ccccc2)c1 21793496 DNRADYVELUNXOG-NRFANRHFSA-N 381.476 2.977 0 40 GFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102623178 OLXBKELCWNVUGG-VQHPVUNQSA-N 385.851 2.868 0 40 GFAB Cc1ccc(CCC2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)cc1 32918691 VLBHQAAGRQFCMF-LJQANCHMSA-N 378.538 2.590 0 40 GFAB Cc1cc2oc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)cc(=O)c2cc1C 21805974 FRFKWUXGRHHWAV-QGZVFWFLSA-N 396.443 2.806 0 40 GFAB Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](c2ccco2)N(C)C)c1 22381092 HTOOKRYDJFDLMU-INIZCTEOSA-N 375.494 2.679 0 40 GFAB Cc1cccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c1 780612 XCBKSXHXVYPZBI-FQEVSTJZSA-N 385.423 2.670 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 813810 WDCJEAWSDUXJPC-UHFFFAOYSA-N 389.506 2.910 0 40 GFAB COc1cccc(OCc2nnc(SCC(=O)N3CCC[C@@H](C)C3)n2C)c1 904904 RETLNNMTZWIFJE-CQSZACIVSA-N 390.509 2.753 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 1138062 UXVVONRGSKLJCN-OIPACUDHSA-N 380.510 2.545 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 1183069 VEDRYXJODRJKKO-LFIBNONCSA-N 390.461 2.753 0 40 GFAB CCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2157848 BTCASKWFHPAYAI-SWLSCSKDSA-N 387.432 2.727 0 40 GFAB biogenic COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1N 3283354 LCUORWKLKQJAQZ-UHFFFAOYSA-N 397.460 2.601 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 4285586 OXSAAVGBQSDLPB-UHFFFAOYSA-N 389.473 2.958 0 40 GFAB Cc1ccc(C(=O)NCCc2nnc3ccc(NCCCOC(C)C)nn23)cc1 4358547 RVBOWTYNNOYOKY-UHFFFAOYSA-N 396.495 2.632 0 40 GFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(C)cc1 4814955 GALADLFREMWXCL-UHFFFAOYSA-N 399.476 2.860 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 4968845 UCZZWPHTGOZUHN-UHFFFAOYSA-N 397.884 2.984 0 40 GFAB Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)NCCc2ccccn2)CS3)cc1 5689660 KEQUHFIBUKIHCG-GHTZIAJQSA-N 381.501 2.640 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 5797313 ABYWPALEFUCCLE-UHFFFAOYSA-N 377.356 2.568 0 40 GFAB CCc1ccccc1N1C(=O)/C(=C\C(=O)OC)N=C1Nc1nc(C)cc(C)n1 5878496 MKEWKTXOXVURJO-RVDMUPIBSA-N 379.420 2.527 0 40 GFAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)C3CCCCC3)=C2)cc1 6800272 YVJLUMXARODNNJ-UHFFFAOYSA-N 375.494 2.649 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nc(-c2ccsc2)no1 7098515 AYJAYMCJMFEJEI-UHFFFAOYSA-N 382.401 2.711 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(-c2nnco2)cc1 7773925 OYBXNRPDVZUOEH-UHFFFAOYSA-N 381.388 2.893 0 40 GFAB O=C(Oc1ccccc1Cc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12 7986143 PTIWBBBIZGSIIU-UHFFFAOYSA-N 394.452 2.680 0 40 GFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc2c(c1)OCO2 8157190 GZTMCQGXQGXLOL-NSHDSACASA-N 394.478 2.589 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1OC 8225330 KECSPJXKLQJEFL-LBPRGKRZSA-N 379.434 2.515 0 40 GFAB Cn1ccc(C(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c1 8344919 YCDSOJNGZSFLSP-UHFFFAOYSA-N 383.355 2.874 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)c(C)c1 9306003 IMACKTPWEWZLFF-IBGZPJMESA-N 377.444 2.893 0 40 GFAB CCCCOc1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250782 TZVRAPYKMKWKMK-UHFFFAOYSA-N 383.452 2.911 0 40 GFAB COC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)cc1 11613573 AKQAJBYNSPAGCQ-CQSZACIVSA-N 387.461 2.829 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1NC(C)=O 11689590 GIKCUEHLDPVECM-UHFFFAOYSA-N 387.461 2.656 0 40 GFAB Cc1nc(COc2ccc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cc2)no1 12076934 VIZGFYJZCCLJOH-LJQANCHMSA-N 395.415 2.943 0 40 GFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)Nc3nccs3)C2)on1 12118377 DHHPGOOQKQVZMT-CYBMUJFWSA-N 384.465 2.715 0 40 GFAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCc2ccno2)CC1 12254939 VMPSALWSYMYYTQ-UHFFFAOYSA-N 378.432 2.661 0 40 GFAB CCOc1ccc(-c2noc(CN3C[C@@H](C(=O)NC)Oc4ccccc43)n2)cc1 12540042 JDNNRNNNABPGLH-SFHVURJKSA-N 394.431 2.649 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1 12754236 BARXVVOALDTEDH-UHFFFAOYSA-N 392.546 2.816 0 40 GFAB O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](c1cccs1)N1CCCC1 12813978 UYCMHCNCXCDXAT-INIZCTEOSA-N 385.489 2.999 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2ccccc21 13003782 INZTUMTZJSURSK-HKUYNNGSSA-N 397.500 2.553 0 40 GFAB Cc1ccc(O)c(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 13007278 QYBBISMRJDLVPL-UHFFFAOYSA-N 381.476 2.714 0 40 GFAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1cccc(OC(F)(F)F)c1 13724561 NAXHSMLVJUBLLJ-UHFFFAOYSA-N 381.314 2.608 0 40 GFAB c1ccc(-n2nnnc2CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 14119547 KODDHORYEXBRAP-UHFFFAOYSA-N 380.389 2.733 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)cc1 14349010 QTBUENFPRDGZNS-LJQANCHMSA-N 377.444 2.664 0 40 GFAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccccn1 16491310 FZZVQHITRCMOND-UHFFFAOYSA-N 387.505 2.721 0 40 GFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)c3c(C)noc3C)c2N)cc1 19213107 OJXWSBUPMMOAJL-KRWDZBQOSA-N 393.447 2.855 0 40 GFAB COc1cccc(Nc2noc3c2CN(C(=O)CCn2cc(C)cn2)CC3)c1 19240005 IRBHWPUISFEBFA-UHFFFAOYSA-N 381.436 2.907 0 40 GFAB C=Cn1cc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 19584201 KSLFRXOFQUKVQL-KRWDZBQOSA-N 382.512 2.745 0 40 GFAB COCC(=O)N1CC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19705042 OJYNCTJOGBFYPV-CQSZACIVSA-N 383.427 2.671 0 40 GFAB C[C@H]1CCCCN1CCC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 19746433 VMWHJKSKYPXWDP-HNNXBMFYSA-N 387.459 2.864 0 40 GFAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 20101593 KXIAFDMNISISGQ-HNNXBMFYSA-N 384.867 2.630 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)CSCc2c(C)noc2C)cc1 23078544 KOAJWDGEJRTGNB-UHFFFAOYSA-N 377.466 2.630 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cc2c(cc1Cl)OCCCO2 23153017 STYGYNJQXJRGIZ-UHFFFAOYSA-N 385.811 2.658 0 40 GFAB CN1C(=O)N(C[C@H](O)COCc2ccccc2Cl)C(=O)C12CCCCC2 24098422 ZOWIOWOVJIKKTE-HNNXBMFYSA-N 380.872 2.814 0 40 GFAB O=C(CNC(=O)Cc1ccccc1)NCc1ccc(OCC(F)(F)F)cc1 25149542 PDOZYNAAGQBQAR-UHFFFAOYSA-N 380.366 2.603 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)cc1 27669082 CLRVYKWWGOPKPD-HXUWFJFHSA-N 383.448 2.803 0 40 GFAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1 32081049 FZWVAHAZJRPXMG-NSHDSACASA-N 394.836 2.578 0 40 GFAB CCN(CC)C(=O)CSc1nnc(SCC(=O)NC(C)(C)CC)s1 32745348 FRKOJFSLLCKDBS-UHFFFAOYSA-N 390.600 2.896 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)cc2O)cc1 32854681 MQOWFVBSGFHIGV-UHFFFAOYSA-N 396.896 2.803 0 40 GFAB COC(=O)[C@H](C)CN(C)Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S 32926920 RPGORHBNQGTMQD-LLVKDONJSA-N 381.454 2.588 0 40 GFAB COc1ccc(C(=O)N2CCCC[C@H]2C)cc1S(=O)(=O)NC1CCCC1 32968933 LSUXQMOVEZXRNS-CQSZACIVSA-N 380.510 2.931 0 40 GFAB Cc1cc(N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)n2ncnc2n1 35312003 IRJLKVKTKWUJDA-IBGZPJMESA-N 390.491 2.843 0 40 GFAB C[C@H]1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)[C@@H]2CCCC[C@H]12 35312647 RERZDHKTOIPMBG-SQWLQELKSA-N 391.493 2.570 0 40 GFAB CSc1cccc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)[nH]nc2-3)c1 38670644 JBDIFHATDFZIPE-CYBMUJFWSA-N 384.461 2.829 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38730853 HPBDWIULCCMYES-KBPBESRZSA-N 398.513 2.841 0 40 GFAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2cc(C)ccc2C(C)C)cc1 40058198 VKPSJSNWRNWUPR-UHFFFAOYSA-N 383.491 2.794 0 40 GFAB O=C(N[C@@H]1CCOc2ccccc21)C1CCN(C(=O)NCc2ccco2)CC1 40131106 BAKZDPKXNIRBRG-GOSISDBHSA-N 383.448 2.841 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCN(c2ccccn2)CC1 44014599 PLDYNFIDYIJNIJ-UHFFFAOYSA-N 379.464 2.672 0 40 GFAB CN1CCN(Cc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)CC1 45741571 XRXOZYPBIJCAHG-UHFFFAOYSA-N 389.503 2.931 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)COc3cccc(C)c3)n2)cc1 49027146 HNEOTEUVAQOWIN-UHFFFAOYSA-N 383.404 2.661 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCc1nccn1C(F)F 58357394 MVHFMJNUIIVBJZ-UHFFFAOYSA-N 387.390 2.622 0 40 GFAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n[nH]1 72375082 TZYFVQSQEDOMLB-CYBMUJFWSA-N 399.451 2.816 0 40 GFAB COCc1cc(=O)n(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cn1 83914603 MTERBPAVHRBXQA-NRFANRHFSA-N 397.862 2.949 0 40 GFAB C[C@@](NC(=O)CCCc1nc(C2CC2)no1)(C(=O)O)c1cc(F)ccc1F 95424523 IMWHOKWARRDYBS-SFHVURJKSA-N 379.363 2.664 0 40 GFAB CCc1nnc([C@@H](C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)o1 95957537 HRFHESPNKROGHI-CYBMUJFWSA-N 378.860 2.570 0 40 GFAB O=C(C1CCC1)N1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 96145429 YOOXZRKVJZQUDJ-SJLPKXTDSA-N 396.940 2.893 0 40 GFAB O=S(=O)(c1cccs1)N1CCC2(CC1)C[C@H](Nc1ccccn1)CO2 96221319 QNFNBSUFKCSRQZ-AWEZNQCLSA-N 379.507 2.567 0 40 GFAB COc1ccc(-c2n[nH]c(S[C@H]3CC(=O)N(c4ccccc4)C3=O)n2)cc1 96299650 YDTXRDNEJDFPAI-HNNXBMFYSA-N 380.429 2.905 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 96377852 MFRCHOCEJPBNDJ-UHFFFAOYSA-N 389.517 2.896 0 40 GFAB CC1(C)[C@H]2CC=C(COC[C@@H](O)CN3CCN(c4nccs4)CC3)[C@@H]1C2 109006213 DASNRJNGYIFZAE-BZSNNMDCSA-N 377.554 2.635 0 40 GFAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1 220172235 JQWSYTJVQTZLMY-LLVKDONJSA-N 384.404 2.767 0 40 GFAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)OCCO4)n2)cc1 225405783 MPUATMQMLSUHCG-UHFFFAOYSA-N 381.388 2.789 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225942986 KKEXQHFWPKQDMP-GUYCJALGSA-N 376.453 2.784 0 40 GFAB CCOc1ccccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225956164 CVDRWCADGSSRKY-QGZVFWFLSA-N 392.477 2.713 0 40 GFAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257255257 KGUOJLWLNBOOTD-IBGZPJMESA-N 395.463 2.930 0 40 GFAB O=C(COc1ncnc2ccccc12)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257300889 RWBHBMDMIMQBPH-BPAFIMBUSA-N 390.443 2.720 0 40 GFAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 408627082 XZWIXTHZSJVDGV-UHFFFAOYSA-N 394.537 2.889 0 40 GFAB CC(C)c1ccccc1NC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 558137348 CKONXCLAFUOHCS-OAHLLOKOSA-N 382.530 2.592 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc2oc(O)nc12 563712859 GDGWKTJNIPZFEQ-MRXNPFEDSA-N 381.432 2.554 0 40 GFAB CN(C)c1nc(CNC(=O)c2ccc(Cl)cc2Cl)nc(N2CCCC2)n1 575605002 FQOPXEBUCHBERK-UHFFFAOYSA-N 395.294 2.775 0 40 GFAB Cc1ccsc1-c1nc(=NC(=O)N=c2ccn(C3CCOCC3)[nH]2)s[nH]1 585101492 ZANOFFSGUABWKH-UHFFFAOYSA-N 390.494 2.611 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CCC(C)C)C[C@@H]23)s1 585106179 VTZXMUULWLKRMC-SJORKVTESA-N 389.565 2.755 0 40 GFAB CCn1nc(C(=O)N2CC(C)(C)Oc3cc(Br)ccc32)ccc1=O 622987286 YUHHEJJISNXEIE-UHFFFAOYSA-N 392.253 2.844 0 40 GFAB CN1CCO[C@@H](CN(C)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1 633918638 UJVBLNOYHQUSHK-OAHLLOKOSA-N 385.430 2.708 0 40 GFAB Cc1cccc(N2CCN(Cc3ccc(NC(=O)[C@@H]4C[C@H]4C(=O)O)cc3)CC2)c1 649465332 ZIZLHIJPYVITAU-NHCUHLMSSA-N 393.487 2.976 0 40 GFAB CC(=O)NCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1596709516 KBMBPRDDJHPTMY-IPELMVKDSA-N 382.512 2.881 0 40 GFAB CO[C@H]1C[C@@H](Cn2ccc(NC(=O)OC(C)(C)C)n2)N(Cc2ocnc2C)C1 1616030864 GRMVZUUIRWDLMA-GJZGRUSLSA-N 391.472 2.816 0 40 GFAB COc1ccc(C(=O)N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)cc1 1888876428 KBSZZKKEQGDNGR-IAGOWNOFSA-N 380.492 2.991 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 792352 UYKYCIWUDCDFPR-QGZVFWFLSA-N 390.480 2.851 0 40 GFAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)N1CCOCC1 900640 UOBRVISWEUHLLN-UHFFFAOYSA-N 394.500 2.944 0 40 GFAB O=C(NCCC(=O)N1CCCCCC1)Nc1ccc(-c2nnnn2C2CC2)cc1 78718482 HCEKYTZZRCHUNV-UHFFFAOYSA-N 397.483 2.589 0 40 GFAB COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C(N)=O)cc1Cl 105589502 ZXRODKCKCYWOKG-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCC(N)=O)c(OCC)c1 7601333 OJDITORDIPSRQM-UHFFFAOYSA-N 399.904 2.553 0 40 GFAB O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1NS(=O)(=O)c1ccccc1 1441639 PJZRVUSKPCHLPV-LJQANCHMSA-N 395.440 2.852 0 40 GFAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2cc(C)no2)CC1 25437334 GJJOFPQDUUCFKO-KRWDZBQOSA-N 375.473 2.595 0 40 GFAB CN(CC(=O)Nn1cnc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 72296369 UIBXHGFAZDXLEN-UHFFFAOYSA-N 394.456 2.580 0 40 GFAB CCOC(=O)CNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486787 ADGTTXIDSIKCOP-UHFFFAOYSA-N 388.811 2.538 0 40 GFAB CCn1c(SCC(=O)NCCc2cccs2)nc2cc(C)[nH]c2c1=O 57522111 LXHNUMRBJUWMRU-UHFFFAOYSA-N 376.507 2.565 0 40 GFAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12761773 DFDGLCWNLNAALU-LBPRGKRZSA-N 388.493 2.694 0 40 GFAB Cc1c(NC(=O)c2cnn(Cc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 12777764 PYLDYAXZVAAYLK-UHFFFAOYSA-N 387.443 2.982 0 40 GFAB Cc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)CCn1cccn1 58439239 WEBVHLVMMGPXFW-UHFFFAOYSA-N 378.885 2.705 0 40 GFAB COc1ccc(NC(=O)CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 36393954 PSZANRSRBIQFAI-UHFFFAOYSA-N 396.491 2.503 0 40 GFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCCCCC1 22246246 JXFDWQMSMJLBSY-FQEVSTJZSA-N 386.517 2.979 0 40 GFAB CCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)Cc1cccc(F)c1 11434885 ATTPJHDAKGNIBC-FQEVSTJZSA-N 384.451 2.774 0 40 GFAB CC(C)OCCCNC(=O)C(=O)NCCOc1ccc(-c2ccccc2)cc1 59417411 QRYHWKFLFOVCTF-UHFFFAOYSA-N 384.476 2.780 0 40 GFAB C[C@@H]1CN(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)C[C@@H](C)O1 45740878 TZOHNPICBZCYML-VXGBXAGGSA-N 376.881 2.798 0 40 GFAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)NCCc1nc4ccccc4n1C)(C3)C2 100771135 SQWKHVYVCMJTKR-TWVWUCKLSA-N 394.519 2.707 0 40 GFAB C[C@@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccc(-n2ccnc2)cc1 29755382 YKFMPGLAJIWRDE-AEFFLSMTSA-N 376.464 2.756 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 12819143 SKGCYUWLODEOJM-MRXNPFEDSA-N 399.299 2.855 0 40 GFAB Cc1csc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)n1 10555813 YQWNNZHPHJXJCG-VIFPVBQESA-N 393.412 2.776 0 40 GFAB CCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O 2726413 AQVALSMYMVEISE-UHFFFAOYSA-N 396.472 2.708 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)CC1 2722901 ROTOTASOKNFXND-UHFFFAOYSA-N 399.472 2.633 0 40 GFAB COc1ccc(/C=C2/N=C(SCC(N)=O)N(c3cccc(OC)c3)C2=O)cc1 3449949 LRUAOLGFNLICEK-LICLKQGHSA-N 397.456 2.666 0 40 GFAB O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12904820 BVFXDLROSUAYIF-GOSISDBHSA-N 391.431 2.801 0 40 GFAB CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)CC1 38204480 ITPGVPBKOMDJSM-GOEBONIOSA-N 393.413 2.931 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1Cl)O2 38833797 UXPMCKZTAVSAHN-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB CC1(C)CC(=O)c2ccc(OCC(=O)N3CCN(c4ccccn4)CC3)cc2O1 13689378 NGHKFPWOECDKBC-UHFFFAOYSA-N 395.459 2.553 0 40 GFAB CN(C)[C@H](CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1ccco1 49944435 BCDMFUVDUQNSEP-MRXNPFEDSA-N 377.872 2.862 0 40 GFAB COC(=O)c1ccc(COC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 5309307 YKUXUXJTCOQQQG-UHFFFAOYSA-N 380.393 2.520 0 40 GFAB CCOC(=O)c1c(Nc2nc3nonc3nc2N(C)C)sc2c1CCCC2 5461314 SDHFNSBYQIWQII-UHFFFAOYSA-N 388.453 2.939 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 6595712 ZSIUBWPJWUDWOI-MRXNPFEDSA-N 390.505 2.865 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N3CCCC3=O)n2CC(C)C)cc1 6581635 SPAMNNDIXAFLLN-UHFFFAOYSA-N 388.493 2.851 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1 6608105 DZRJXHDBHUWONM-CYBMUJFWSA-N 394.460 2.518 0 40 GFAB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1O 4739358 FMWNFGIXQJFWBP-SFHVURJKSA-N 377.404 2.920 0 40 GFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)C[C@H](C)O1 6859554 VHWIHNFMZPEAOB-HOTGVXAUSA-N 394.537 2.889 0 40 GFAB C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1ccccc1C(N)=O 4999463 QQDHCFXGAFHSFT-LBPRGKRZSA-N 394.456 2.655 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1CCO 67300240 UTVKUIUDZXMTRM-UHFFFAOYSA-N 399.397 2.670 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)C1=O 7827467 VISDNYVPDUYDHM-UHFFFAOYSA-N 383.901 2.659 0 40 GFAB CCOc1ccc(CCNC(=O)Cn2ncc3ccccc3c2=O)cc1OCC 8240810 PJSXSTNPLAOVOZ-UHFFFAOYSA-N 395.459 2.553 0 40 GFAB COc1cc(CCC(=O)N(CC(=O)O)Cc2ccccc2)cc(OC)c1OC 95463878 FQRLJPDVCMTQCL-UHFFFAOYSA-N 387.432 2.758 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC(OC)CC1 69453214 XKDUTVAZDCYMCS-INIZCTEOSA-N 380.872 2.591 0 40 GFAB Cc1ncsc1CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306140702 VBGXMNKLVHDGRR-MRXNPFEDSA-N 398.536 2.710 0 40 GFAB COc1ccccc1CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8497614 BHROBUNZXSJMFH-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCCC1 95473192 VQLIPPBKOJDITK-SFHVURJKSA-N 392.931 2.819 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2F)CC1 23441332 BRHCJGWYLMEDAN-IBGZPJMESA-N 387.455 2.518 0 40 GFAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 23141973 LQSLWWVXYLOBES-UHFFFAOYSA-N 390.399 2.751 0 40 GFAB CCCCN1C(=O)/C(=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 409390738 VNFLCQPXUVYVCH-ISLYRVAYSA-N 375.453 2.974 0 40 GFAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccco1 65154449 RJAMBNVPQNLBHY-UHFFFAOYSA-N 390.399 2.838 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)c3cccs3)CC2=O)c1 408641562 CSFVRIFJBAEVKP-LBPRGKRZSA-N 389.429 2.544 0 40 GFAB COc1nc(C)c(CC(=O)N2CCN([C@@H](C)c3ccc(C)cc3)CC2)c(OC)n1 36741147 LQBKIXRPOBKPLS-KRWDZBQOSA-N 398.507 2.559 0 40 GFAB COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1NC(=O)OCc1ccccc1 306145289 ALQXTIWPFGWCMW-HOCLYGCPSA-N 378.425 2.669 0 40 GFAB Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)nn1-c1cccc(F)c1 537376170 HFZDBMXKTALXAO-UHFFFAOYSA-N 388.424 2.944 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CN(C)c2nc3ccccc3s2)n1 70972882 PWRORWUXBHXCTH-UHFFFAOYSA-N 390.490 2.933 0 40 GFAB COc1ccc(-c2nnn(CC(=O)Nc3cnc4ccccc4c3)n2)cc1OC 35315061 XVUVHXWWOFTECJ-UHFFFAOYSA-N 390.403 2.544 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2cccc(C)c2C)cc1 223941338 UCQAQGRYONFVBM-UHFFFAOYSA-N 377.462 2.588 0 40 GFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccc(C)cc1)S(C)(=O)=O 220331959 WJLNXRDSHIAQOC-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB CCNc1sc(C(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1C(=O)OC 85430435 BAJCOJWHPHCFDT-UHFFFAOYSA-N 381.475 2.909 0 40 GFAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 44871673 PKOBUBRIONZJSF-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccccc2Cl)cc1 224110018 YFFCVDYFJVOGQU-UHFFFAOYSA-N 382.869 2.910 0 40 GFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCn1ncc2ccccc2c1=O 40818864 DGXBATGGUBXFML-UHFFFAOYSA-N 378.407 2.684 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 229944719 NAZXNBZGXAPWPN-OZQHCQBDSA-N 396.418 2.598 0 40 GFAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1ccc2cc[nH]c2c1 96114606 ZVCUTLUWFKATLY-SFHVURJKSA-N 376.416 2.660 0 40 GFAB biogenic O=C1C[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)CN1c1cccc(F)c1 96238691 HNHKTOQXDNHXRK-IBGZPJMESA-N 392.427 2.783 0 40 GFAB Cc1nnc(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)n1C1CC1 95467630 AHQMVTPEYLTMBM-UHFFFAOYSA-N 378.351 2.966 0 40 GFAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2ccoc2)CC3)C1=O 96262762 FGRLCGYJIYOPBL-QFIPXVFZSA-N 387.524 2.712 0 40 GFAB Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)C1CCN(CC(F)(F)F)CC1 585085854 FCVHQMQOYCUXBI-AWEZNQCLSA-N 396.457 2.798 0 40 GFAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(C(=O)Nc1ccccc1)CC2 96260553 VEIGSFUPHVXXNX-UHFFFAOYSA-N 393.491 2.896 0 40 GFAB NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2cncs2)CC1 257304976 SNYDUMBGWTYION-UHFFFAOYSA-N 393.896 2.973 0 40 GFAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccn(C3CCOCC3)n2)c1 623645321 XPBQNAMWADAZAB-UHFFFAOYSA-N 397.479 2.576 0 40 GFAB COCc1cc(Cl)cc(S(=O)(=O)NCc2c(C(F)(F)F)cnn2C)c1 625337189 HVDRIDJKJJJWSA-UHFFFAOYSA-N 397.806 2.717 0 40 GFAB CO[C@@H](C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)[C@H]1CCOC1 668648101 UEXWDABXNCNDRW-WMLDXEAASA-N 384.461 2.986 0 40 GFAB CC(C)n1cnnc1C1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 599223697 PWWUCHFYIHNQFM-UHFFFAOYSA-N 379.468 2.519 0 40 GFAB CN(C)C(=O)N1CCC(C(=O)NCc2c(C(=O)O)sc3ccccc23)CC1 676018133 CNAGDMZIXAQYFZ-UHFFFAOYSA-N 389.477 2.609 0 40 GFAB COC(=O)N1CCC(CNC(=O)CCc2ccccc2Br)CC1 96120366 ZHGAROUMLJOOHC-UHFFFAOYSA-N 383.286 2.976 0 40 GFAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96374965 GRKJAZALWLVYMP-UHFFFAOYSA-N 399.472 2.889 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340606 VBCRXMZKKPBDPH-UHFFFAOYSA-N 397.325 2.935 0 40 GFAB Cc1ccnn1CCC(=O)N[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(C)C 72324282 UTPKWIPVJHJUIF-KRWDZBQOSA-N 399.520 2.708 0 40 GFAB CC[C@@H](NC(=O)NCc1cccnc1-n1cccn1)c1ccc2c(c1)OCCO2 57232581 FNTSCJHXWBPENU-QGZVFWFLSA-N 393.447 2.989 0 40 GFAB CN(C)[C@@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc2c(c1)OCO2 12148650 LVXSBAAKUUQMHD-SFHVURJKSA-N 383.423 2.928 0 40 GFAB CCCc1nn(CC(=O)NCc2ccc(C)o2)c(=O)c2cc3ccsc3n12 12181757 LUXAWHLUVZVFFW-UHFFFAOYSA-N 384.461 2.881 0 40 GFAB COc1ccc2nc(NC(=O)c3ccccc3NS(C)(=O)=O)sc2c1 12769544 MXHGQEBUDWAQOX-UHFFFAOYSA-N 377.447 2.929 0 40 GFAB CCn1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)n1 17078232 GGYUSLKCUVUZPD-UHFFFAOYSA-N 382.917 2.684 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19333153 DXZWJUIAUYMCGX-INIZCTEOSA-N 378.407 2.530 0 40 GFAB Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](C(=O)NCCN3CCCCC3)C2)cc1 19745422 GDGOAVBJNMAQBA-LJQANCHMSA-N 385.552 2.723 0 40 GFAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 205758107 XYDUMEHHVWVQEK-VIZOYTHASA-N 395.433 2.700 0 40 GFAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 12227648 XHAMJWABBDPEEX-DZGCQCFKSA-N 375.519 2.924 0 40 GFAB CCOc1cc(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)on1 12275609 NJJPEFRBCFLVES-UHFFFAOYSA-N 387.484 2.577 0 40 GFAB O=C(Cc1nc2cc(Cl)ccc2[nH]1)N[C@H]1CC(=O)N(c2ccccc2F)C1 19718988 MNOOXAXZZSNQHO-LBPRGKRZSA-N 386.814 2.820 0 40 GFAB COc1ccc(S(=O)(=O)CCNC(=O)c2ccc3c(c2)c(C)cn3C)cc1 19714759 BGNBWMQEPGXOKY-UHFFFAOYSA-N 386.473 2.699 0 40 GFAB O=S(=O)(NCCc1nc(-c2ccncc2)cs1)c1cccc2c1OCC2 1666911850 PCLKVYGKMNBNER-UHFFFAOYSA-N 387.486 2.661 0 40 GFAB Cc1cccc(O[C@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)n1 238818681 CBZBAFGCLDSGMD-ZDUSSCGKSA-N 396.415 2.680 0 40 GFAB COc1ccc(CNC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1OC 238920969 TWGJBAPZLURIQF-UHFFFAOYSA-N 393.447 2.729 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCc1ccc(F)cc1 4328086 FJWZCXHXUVKSIE-UHFFFAOYSA-N 394.435 2.734 0 40 GFAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(F)c(F)c1 8864266 DCOMBMGJUBHOHI-INIZCTEOSA-N 379.432 2.918 0 40 GFAB CCCCOc1ccc(NC(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1 1775966047 QGTLPNRSRRTHFJ-UHFFFAOYSA-N 387.415 2.675 0 40 GFAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)c2ccccc2C(F)(F)F)c1=O 38492495 DGXIMLGLVYWJMC-UHFFFAOYSA-N 393.365 2.892 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NCC[C@@H](O)c1cccc2ccccc12 77118543 KLSBEVKSVWBRKL-HXUWFJFHSA-N 392.455 2.705 0 40 GFAB O=C(c1ccccc1F)N1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 40067086 SAIWYQCTQZQTAY-XLIONFOSSA-N 387.499 2.765 0 40 GFAB CC1(C)NC(=O)N(CCCSc2nnc(C3CC3)n2-c2ccccc2)C1=O 40089648 MMMMJPJRTDAKSZ-UHFFFAOYSA-N 385.493 2.957 0 40 GFAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116627 OANWLSBVPWKDDW-KRWDZBQOSA-N 385.386 2.777 0 40 GFAB O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 40153968 RRXVHYKEHRNAAN-OAHLLOKOSA-N 395.850 2.590 0 40 GFAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NC[C@@H]1COc2ccccc2O1 31041732 XHTFXWVMLFBMSA-LLVKDONJSA-N 388.474 2.625 0 40 GFAB COc1ccc(C2=C[C@H](c3ccc(OC)c(OC)c3)n3nnnc3N2)c(OC)c1 101030397 AADORYZVGJDNSZ-MRXNPFEDSA-N 395.419 2.764 0 40 GFAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 53417333 PRSJYBMLQXPWRK-NWDGAFQWSA-N 379.254 2.908 0 40 GFAB O=C(Cc1ccccc1)Nc1cc(O)nc2nc(COc3ccccc3)nn12 9087661 OUXYXDOQWANXCR-UHFFFAOYSA-N 375.388 2.590 0 40 GFAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)[C@@H]1CCCO1 78597038 YBQFZZMUBCLJQN-ABAIWWIYSA-N 396.490 2.552 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cc(F)cc(F)c1 23568186 VXXMHFGUNDDIDJ-ZDUSSCGKSA-N 390.386 2.882 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O 3978407 PVAMXWLZJKTXFW-VQMOFDJESA-N 390.520 2.575 0 40 GFAB biogenic,in-vitro Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 4368100 XBJRMRLURQLEPI-OAHLLOKOSA-N 396.443 2.936 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1 4909418 AFAIINPWCJNJJC-DNVCBOLYSA-N 375.488 2.715 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(Cl)cc1 4984907 JCKRKLAVAKLCKS-KRWDZBQOSA-N 383.835 2.930 0 40 GFAB CC(C)(C)NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 3294026 NJJYEMOQGHZISJ-UHFFFAOYSA-N 382.869 2.742 0 40 GFAB Cn1ncc2c(=O)n(CCC(=O)NCC3(c4ccccc4)CCCCC3)cnc21 25251782 NVQJWSUDLOACGM-UHFFFAOYSA-N 393.491 2.538 0 40 GFAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1 34863154 PAIMRRGAIHKQKM-GOSISDBHSA-N 377.488 2.812 0 40 GFAB COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1C(=O)N1CCCC1 8560354 WWASAHIJKOORBE-UHFFFAOYSA-N 382.526 2.890 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507353 FHKFHJBAJQAKIX-UHFFFAOYSA-N 388.431 2.890 0 40 GFAB COc1ccc(C(N)=O)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 12784951 CJUCLQYEUFMIJM-AWEZNQCLSA-N 382.460 2.929 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)NCc3ccccc3Cn3cccn3)C2)n1 58220699 SLZMOWZCIWAHJZ-GOSISDBHSA-N 380.452 2.712 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 48345671 CQADNUBSDQIAQI-UHFFFAOYSA-N 393.852 2.501 0 40 GFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCCc3ccccc3)C2=O)cc1 2222495 YDKMMPLCMDWKOP-IBGZPJMESA-N 380.444 2.718 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccccc1C(=O)NC[C@@H]1CCCO1 12812760 HFYQLXHZBKSLSB-AEFFLSMTSA-N 393.487 2.985 0 40 GFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCOCC(F)(F)F)CC3 45455445 WEQPKQHKKVKUBH-UHFFFAOYSA-N 384.354 2.808 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1O[C@@H](C)C(=O)O 95464504 AUDGDSWAUWTPGJ-LBPRGKRZSA-N 377.418 2.503 0 40 GFAB O=C(O)CN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1 113874618 NWXFWNQHXYVNGW-UHFFFAOYSA-N 388.214 2.868 0 40 GFAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4cccc(C)c4n3)C(=O)[C@H]2C)cc1 12981095 AFOFOLXATDFVEK-OAHLLOKOSA-N 376.416 2.669 0 40 GFAB CCc1ccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 5045470 BSGRFYRTEUZPNX-MRXNPFEDSA-N 393.530 2.905 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)NCCCCCc1nc2ccccc2[nH]1 96118576 XMVKDAXRSFMMGG-UHFFFAOYSA-N 389.459 2.802 0 40 GFAB CCOCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 13942570 FTJIVJWIYOFJMH-CQSZACIVSA-N 388.493 2.986 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 4468497 ARIGPUBGVAKYOD-NRFANRHFSA-N 397.862 2.692 0 40 GFAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccccc1)c1ccc(OC)cc1 5718934 LBDSLZVKSRQXBK-HNNXBMFYSA-N 376.478 2.729 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCCCCC2)nc1N 71771946 IHLHYBALOAHPAE-UHFFFAOYSA-N 396.900 2.934 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1C 8719022 HECUSFSZXPQNOK-JOCHJYFZSA-N 379.460 2.998 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(NC(=O)C2CC2)cc1 8734175 BTGAWFVHYHAQES-UHFFFAOYSA-N 376.416 2.843 0 40 GFAB Cc1nnnn1-c1cccc(NS(=O)(=O)N2CCC3(CCCCC3)CC2)c1 89740994 YTIKZUGINCPSFC-UHFFFAOYSA-N 390.513 2.674 0 40 GFAB Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C 8935386 AGPGWHPKAUSSSW-HNNXBMFYSA-N 381.429 2.531 0 40 GFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 9647445 UJNKSUJZIPMXRT-QFIPXVFZSA-N 398.426 2.783 0 40 GFAB O=C(c1ccc(Cl)cc1-n1cnnn1)N1CCc2[nH]c3ccccc3c2C1 72402700 FCCIAUFSTUIZJT-UHFFFAOYSA-N 378.823 2.996 0 40 GFAB Cc1ccc(C(=O)N[C@H](C)[C@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O 95972142 PVINYUUSUQGEJT-PXAZEXFGSA-N 381.881 2.904 0 40 GFAB Cc1cc(N2C[C@@]3(F)CN(C(=O)c4ocnc4C)C[C@@]3(F)C2=O)c(C)s1 306136508 PVNDBBYATYOIPP-DLBZAZTESA-N 381.404 2.581 0 40 GFAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 27972786 JXKIMHKGCANBKO-UHFFFAOYSA-N 398.459 2.965 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(CCc3ccccc3)C[C@@H]1C2 306138054 RNUSJYDWUFQHLY-RBUKOAKNSA-N 387.487 2.877 0 40 GFAB O=C(Cn1nc(-c2cccs2)oc1=O)NCCSCc1ccccc1F 22834709 IIFORMNSAOHVIT-UHFFFAOYSA-N 393.465 2.754 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1OC 38772074 FLQIDXGSQNZPTC-CYBMUJFWSA-N 392.477 2.591 0 40 GFAB COc1ccc(SCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 30864171 SXGOIVOBWLTPSJ-UHFFFAOYSA-N 380.491 2.822 0 40 GFAB COCCn1ccc2c(NC(=O)Cn3ncc4ccccc4c3=O)cccc21 71287016 CGVUHUZMPSZRLN-UHFFFAOYSA-N 376.416 2.636 0 40 GFAB CN(C(=O)[C@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79440356 YYXPLXZRAIALIV-WMLDXEAASA-N 376.453 2.684 0 40 GFAB COc1ccccc1Cc1cccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72349317 BQQCLNMMADRHOR-KRWDZBQOSA-N 389.521 2.667 0 40 GFAB CCN(CC)CCNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199428611 APDMNHGKQZHOSR-QFIPXVFZSA-N 381.520 2.777 0 40 GFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1 223752202 JUMDQAYFOMIHLM-IBGZPJMESA-N 390.505 2.892 0 40 GFAB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 220442122 MHIUUCBRVIQCHF-STQMWFEESA-N 382.432 2.997 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc(C)cc1 96520138 PDTBKXIDSMVRCQ-WDEREUQCSA-N 388.654 2.791 0 40 GFAB Cc1ccccc1C(=O)N1C[C@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 96241025 OQNCEWOEPFYFKP-LJQANCHMSA-N 379.460 2.898 0 40 GFAB COc1ccc(Sc2nc(=NC(=O)N[C@H](CO)C(C)(C)C)s[nH]2)cc1 582149952 IZPFKRDAWHUEDX-GFCCVEGCSA-N 382.511 2.648 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1nnc(-c2cnccn2)o1 257287191 POXDFHJONZIXFE-INIZCTEOSA-N 383.383 2.798 0 40 GFAB CN(C)c1ncc(CN2CCO[C@@H](c3cncc(-c4ccccc4F)n3)C2)cn1 257311391 UJFQBDHUNCBZHX-HXUWFJFHSA-N 394.454 2.712 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)c(C)c1 260832563 KOJKWAQUCJNIDE-MGPUTAFESA-N 386.473 2.859 0 40 GFAB c1ccc2c(c1)nc(Nc1cnn(Cc3nnc4n3CCCC4)c1)c1cncn12 624163253 VYCOATUIWBUATF-UHFFFAOYSA-N 385.435 2.799 0 40 GFAB O=C(CCc1ccccn1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48488378 MSWVTLCMSIEDTE-UHFFFAOYSA-N 376.416 2.718 0 40 GFAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1C 657193252 NVSWDGDHQAFJRN-APWZRJJASA-N 380.510 2.923 0 40 GFAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585096888 BZMBWFRXVOVLHE-OAHLLOKOSA-N 389.459 2.522 0 40 GFAB COCCNC(=O)C[C@H]1CN(Cc2cccc(Cl)c2)Cc2cccn2C1 585099073 HXCFQVNSXVDWQZ-KRWDZBQOSA-N 375.900 2.926 0 40 GFAB CCn1c(=O)n(C[C@@H](O)COc2ccc(CCC(C)=O)cc2)c2ccccc21 44348831 ZOAPEHPPLCCLSU-GOSISDBHSA-N 382.460 2.784 0 40 GFAB CC(C)c1cccc(-n2cc(O)c(C(=O)N[C@H](c3nc(=O)o[nH]3)C(C)(C)C)n2)c1 1570626442 IRHQJBBTMCWDJW-MRXNPFEDSA-N 399.451 2.895 0 40 GFAB Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)cc2)cc(=O)[nH]1 58105606 AZAWOMVDRZDCJG-GOSISDBHSA-N 381.480 2.837 0 40 GFAB Cc1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)no1 1615157945 OWYDGPCUFMGPQD-FQEVSTJZSA-N 387.411 2.550 0 40 GFAB COC(=O)C[C@H](CNC(=O)[C@@H](C)NC(=O)OCc1ccccc1)c1ccccc1 5531801 RXURWQNLJWCOMM-VQIMIIECSA-N 398.459 2.764 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC(C)C)cc2)cc1 5814616 TXGCNFRROVYOBM-UHFFFAOYSA-N 376.478 2.724 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc(C(=O)OC)c1 11610178 CKSJNRWWZQWNNG-GFCCVEGCSA-N 387.388 2.674 0 40 GFAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)cc1 12114176 CAFLSIKIBHRIQN-UHFFFAOYSA-N 381.436 2.789 0 40 GFAB COCC(=O)N1CCn2c(nc(-c3ccc(N(C)C)cc3)c2NC(C)(C)C)C1 12116009 OSJCNWGMKSYCOR-UHFFFAOYSA-N 385.512 2.815 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c1 13585740 LLVIFDWPFWUDAQ-UHFFFAOYSA-N 392.458 2.535 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 13683494 SUZPKHHYMVLSDM-INIZCTEOSA-N 382.388 2.521 0 40 GFAB CC(C)c1ccc(-c2nnn(CC(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 14095234 DFVHZJAGRSYMCQ-UHFFFAOYSA-N 377.404 2.677 0 40 GFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cc(OC)ccc2OC)c1 14233978 HNPHIWKCOJQARI-LBPRGKRZSA-N 381.450 2.761 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1F)C2 19017356 BQLDZWPHDASUOI-FQEVSTJZSA-N 396.466 2.817 0 40 GFAB C[C@H]1CN(c2nccc(CN3CCN([C@@H]4CCCC[C@@H]4C)CC3)n2)C[C@@H](C)O1 19496161 OYHFXGNONNTNNM-CTAFRAEOSA-N 387.572 2.787 0 40 GFAB Cc1cc(N=c2[nH]ncs2)nc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 643552014 FTWOFXLMQSTOFV-LBPRGKRZSA-N 376.486 2.917 0 40 GFAB CC(C)CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@H](C)C1=O 548300787 QCVUCPHZTMHURM-CQSZACIVSA-N 375.904 2.824 0 40 GFAB CCOC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCN(C(C)=O)CC1 12275210 KHTRWBJWAHAKSU-QGZVFWFLSA-N 376.428 2.901 0 40 GFAB COc1ccc(CC(=O)N2C[C@H](c3cccc(OC)c3)[C@H]3NCCC[C@H]32)cc1 19554322 SALOFPISJBCSBA-MQSCRBSSSA-N 380.488 2.993 0 40 GFAB COC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 3269012 SHZHDFGSNXJOIN-CQSZACIVSA-N 395.415 2.577 0 40 GFAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccc2c(c1)CCC2 3523247 XECHUPXASGGGPL-UHFFFAOYSA-N 397.479 2.941 0 40 GFAB O=C(/C=C/c1ccco1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 6125339 URCPTZUYONDJGB-GQCTYLIASA-N 383.448 2.605 0 40 GFAB Cc1nc(C)c(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)s1 1888891012 WAEGPTXRCDXYHJ-HUUCEWRRSA-N 381.505 2.855 0 40 GFAB Cc1cc(=O)n(C2CCCC2)c2nc(N[C@H]3CCN(C4CCOCC4)C3)ncc12 1889116965 HICWZZHCXRVLEV-INIZCTEOSA-N 397.523 2.880 0 40 GFAB Cn1nccc1-c1ccc(CCNS(=O)(=O)c2c(F)cccc2F)cc1 1889278292 WTVARSYPUZNNNA-UHFFFAOYSA-N 377.416 2.886 0 40 GFAB Cc1ncsc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840660 PXVQNUCTOHHDLL-UHFFFAOYSA-N 389.452 2.629 0 40 GFAB COC(=O)[C@@]1(CC2CC2)C[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C)nc1 2056223235 REVLYDAJILGTOP-SIKLNZKXSA-N 385.508 2.802 0 40 GFAB CCOC(=O)[C@H](C)Sc1ncnc2c1nnn2Cc1ccc(Cl)cc1 4166563 OZZDEANNGZBXLN-JTQLQIEISA-N 377.857 2.967 0 40 GFAB O=c1c2ncccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1cccnc1 9001434 ZVMBENOTYVJXGU-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 22503472 DYTMYPJQNDRZMT-UHFFFAOYSA-N 377.441 2.860 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cc(-c3ccoc3)cs2)cc1C(N)=O 1775969848 OKLPLFQSQKUFAA-UHFFFAOYSA-N 392.458 2.594 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(COc4cccnc4)C3)cc2)co1 1775973007 BNVNYCQCMKYRKC-UHFFFAOYSA-N 385.445 2.745 0 40 GFAB Cc1cc(C)n(-c2cc(OCC3CCN(c4ccnc(C)n4)CC3)ncn2)n1 1775971094 VZKNJUMSQMJLLY-UHFFFAOYSA-N 379.468 2.673 0 40 GFAB O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)[C@@H]1COc2ccccc2O1 38486365 YNOGASQOGZUKQK-IBGZPJMESA-N 395.390 2.618 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225575514 DALDOMFXINBKHT-OAHLLOKOSA-N 395.956 2.921 0 40 GFAB Cn1cc(-c2cncc(CNS(=O)(=O)c3ccccc3C(F)(F)F)c2)cn1 575615180 CEFHOLSLBLSHCB-UHFFFAOYSA-N 396.394 2.979 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc(-c2cccs2)o1 575609160 QARLONXOMYQCBP-UHFFFAOYSA-N 384.413 2.669 0 40 GFAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O 9087522 XDTZCBJGZTUKBD-QGZVFWFLSA-N 387.436 2.971 0 40 GFAB CCc1ccc(OCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 5719407 AAEXSNBBIZNIFL-JOCHJYFZSA-N 393.487 2.973 0 40 GFAB C[C@@H](C(=O)NCc1ccccc1)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 9639184 YRMUVQQDXQCQID-RBZFPXEDSA-N 383.473 2.536 0 40 GFAB O=C(Nc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)[C@@H]1CCCO1 30531922 FQDICZRODPMDLX-HNNXBMFYSA-N 382.388 2.883 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCCO3)CC2)cc1 40108594 GMGBQEGMIGYPLJ-FUHWJXTLSA-N 394.537 2.602 0 40 GFAB COc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)cc(Cl)c1OC 40118911 HFWLLLNDPDGKGN-UHFFFAOYSA-N 382.888 2.542 0 40 GFAB COc1ccc(C)cc1NC(=O)Cn1c(=O)c2ccccc2n2nc(C)cc12 32909129 DQOPUQXATJUKLF-UHFFFAOYSA-N 376.416 2.913 0 40 GFAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccc1 779146 RECHELSLYDTUMI-UHFFFAOYSA-N 382.445 2.984 0 40 GFAB COc1cc(-c2cc(=O)c3cc(OCC(=O)O)ccc3o2)cc(OC)c1OC 937405 RXMFVYPSRSTHIR-UHFFFAOYSA-N 386.356 2.949 0 40 GFAB COc1ccc(CCc2nc(NC(=O)CCc3c(C)noc3C)n[nH]2)cc1OC 79476281 MVWSFNDFGDHMQW-UHFFFAOYSA-N 399.451 2.783 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 24610977 JIQGZNHEWYVKEC-UHFFFAOYSA-N 378.538 2.986 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 106089483 VTCQCEXXXLZSLS-ZTNFWEORSA-N 382.508 2.862 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NCc1ccco1 7939724 ZACYOAIQRCKBEC-UHFFFAOYSA-N 378.812 2.820 0 40 GFAB Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)cc1F 7956801 FRICFLXJILRCCX-UHFFFAOYSA-N 391.468 2.969 0 40 GFAB O=C(O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 106402319 PXOSMUYMWYOVPI-GHMZBOCLSA-N 391.777 2.513 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCCN(c2ncnc3sccc23)CC1 8074406 UQFRRBXXRVIXGU-UHFFFAOYSA-N 392.481 2.731 0 40 GFAB COc1cccc(NC(=O)COc2ccc(C(=S)N3CCOCC3)cc2)c1 8167720 FHRWBJCCKAVSMK-UHFFFAOYSA-N 386.473 2.720 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1Cl 8372935 LPTMXONQHIQTJM-UHFFFAOYSA-N 383.853 2.679 0 40 GFAB CC(C)c1ccc(CN2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 25184049 KWLJSAMJUXMUSG-UHFFFAOYSA-N 390.491 2.744 0 40 GFAB C[C@@H](NC(=O)c1ccco1)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 25535770 OZXIMAYUXJCQQN-LLVKDONJSA-N 397.353 2.514 0 40 GFAB CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)NC2CCCC2)s1 12621554 LJVAZAPDPQACPZ-JTQLQIEISA-N 388.584 2.696 0 40 GFAB Cn1nc(C(=O)NCc2ccc(N3CCCCCC3)nc2)c2ccccc2c1=O 48260214 WXNXUBXCRVSMDF-UHFFFAOYSA-N 391.475 2.639 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 57387969 HIIQSLHSRSFGNZ-UHFFFAOYSA-N 379.460 2.853 0 40 GFAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 12778292 RMBWSKANXAHMDF-INIZCTEOSA-N 398.406 2.567 0 40 GFAB O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)n2nc(-c3cccnc3)nc2N1 9926468 SCVLCGSVHPEIMF-CYBMUJFWSA-N 386.774 2.655 0 40 GFAB O=C(CN1C(=O)CCOc2ccccc21)NC1CCN(Cc2ccccc2)CC1 12795904 LHQISROMHLFOEI-UHFFFAOYSA-N 393.487 2.583 0 40 GFAB Cc1cc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccccc2)no1 3329039 HCFYKKWGAQYJJX-ZDUSSCGKSA-N 386.481 2.917 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N 3352067 AMDWNTVIZNUZQK-CYBMUJFWSA-N 383.477 2.637 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3395332 PYJCIVVDOGCZKI-UHFFFAOYSA-N 387.885 2.897 0 40 GFAB Cc1cnc2c(S(=O)(=O)Nc3ccc(F)cc3OCCO)cccc2c1 58391123 OMYSAEBWPBCRBV-UHFFFAOYSA-N 376.409 2.854 0 40 GFAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cn2ncsc2=S)CC1 12885436 REBDTSVIEBEYDA-UHFFFAOYSA-N 377.491 2.998 0 40 GFAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)cc1 12810745 OPMLBSZPTZYCFR-LBPRGKRZSA-N 387.509 2.713 0 40 GFAB O=C(NCc1ccco1)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@H]3C2=O)c1 102008357 NTXAEMXTNHARBB-BZIXAJQCSA-N 388.423 2.767 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@H](O)c2ccco2)c(Cl)c1 95462041 YKJRZNPSVYBDDK-GWCFXTLKSA-N 387.841 2.510 0 40 GFAB O=C(Nc1ccncc1Br)c1cccc(N2CCCS2(=O)=O)c1 95441778 VJMXJZYMRPWTAP-UHFFFAOYSA-N 396.266 2.636 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(CN2CCCC2=O)c1 29291623 JALUBTZNPPESIV-LJQANCHMSA-N 383.448 2.795 0 40 GFAB CCOC(=O)C1CCN(Cn2nnn(-c3ccc(Cl)cc3)c2=S)CC1 2656981 XJVQYHQMILJKMI-UHFFFAOYSA-N 381.889 2.684 0 40 GFAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)NC(N)=O 3412455 KZASAFMRRLMSGW-VIFPVBQESA-N 395.872 2.521 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@@H]1CCS(=O)(=O)C1 61002632 VWUXURNLGDZRMS-CYBMUJFWSA-N 388.320 2.823 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 12976976 GRVJVHNZTXIOHG-UHFFFAOYSA-N 382.372 2.584 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2Cl)CC1 408624096 AZUYLOXPRSMDIW-UHFFFAOYSA-N 396.944 2.868 0 40 GFAB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3S(C)(=O)=O)c2C(N)=O)C1 5222957 ZZQRFDNQWNYVGL-JTQLQIEISA-N 392.502 2.628 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccccc2Cl)c(C)n1C 5229996 IVJCBXCOPZAKMU-LBPRGKRZSA-N 376.840 2.840 0 40 GFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 6441730 HEZAMGNJXCUPKS-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB O=C(CN1CCN(c2ccccc2F)CC1)NCCc1c[nH]c2ccccc12 15377466 FROCVIGPUHJKNJ-UHFFFAOYSA-N 380.467 2.788 0 40 GFAB CCC(CC)c1nnc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)s1 15324859 LBISQQWOZNIOMM-UHFFFAOYSA-N 393.513 2.881 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858546 XCZYLHXBPXOVGI-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cc(F)cc(F)c1 7694043 LVAPVWBSPJASON-UHFFFAOYSA-N 378.350 2.610 0 40 GFAB Cc1cc(C(=O)Nc2sccc2C(=O)NCc2ccc3c(c2)OCO3)no1 17078659 IWNYYBPXEGFGJB-UHFFFAOYSA-N 385.401 2.956 0 40 GFAB Cc1c(C)c2c(OCC(=O)Nc3ncn[nH]3)cc3c(c2oc1=O)CCC(C)(C)O3 8765423 LKDGBFONFAEUBA-UHFFFAOYSA-N 398.419 2.649 0 40 GFAB biogenic CCS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(F)c(C)c1 95944123 RLMIBZFIYNITPS-UHFFFAOYSA-N 375.418 2.868 0 40 GFAB COc1cccc(CCC(=O)N(C)C[C@@H](O)CN2CCc3ccccc3CC2)c1 89340084 ZJCHISPPEBNCAY-JOCHJYFZSA-N 396.531 2.548 0 40 GFAB CN(Cc1nc2ccccc2n1C)C(=O)[C@H](c1ccccc1F)N1CCOCC1 89749676 YEXKCKDRVCKSAQ-NRFANRHFSA-N 396.466 2.744 0 40 GFAB O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CCCN1c1ncnc2ccccc12 89872903 WAFCIZPFLVORLB-GOSISDBHSA-N 390.422 2.930 0 40 GFAB COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4c[nH]c5ccccc45)C[C@H]32)cc1 67897218 NFKHAJOVXWEZKU-YADHBBJMSA-N 391.471 2.788 0 40 GFAB biogenic,in-vitro COCC(=O)Nc1cc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)nn1C 35683139 KGICGTDZQWVMJY-UHFFFAOYSA-N 388.449 2.813 0 40 GFAB C[C@H]1CCn2ncc(C(=O)N(CCC(=O)O)Cc3ccc(F)c(F)c3)c2C1 517377086 GWZAWXUSPOUQIO-LBPRGKRZSA-N 377.391 2.861 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38490371 HVCPHFLKCMRUGW-HUUCEWRRSA-N 384.457 2.565 0 40 GFAB O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC([C@@H]2CCNC2)CC1 519773659 PKUXPTRIBUSSGO-MRXNPFEDSA-N 377.535 2.820 0 40 GFAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1CCOC[C@@H]1c1nc[nH]n1 551393163 IVTCZFUAGRHNQM-CQSZACIVSA-N 388.428 2.597 0 40 GFAB COc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)c(OC)c1 32646809 OIGMUPCZXBBZPY-UHFFFAOYSA-N 388.811 2.955 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2CCCN12 34849548 PIUFWGCIIJHPSK-MKXGPGLRSA-N 378.403 2.661 0 40 GFAB CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 30880968 ALNTVPYKQVRMDS-ACRUOGEOSA-N 399.535 2.915 0 40 GFAB biogenic,in-vitro O=S(=O)(c1c[nH]c2ncccc12)N1CCC2(CC1)OCCc1ccccc12 561102840 UVALEQNKRMMEQR-UHFFFAOYSA-N 383.473 2.816 0 40 GFAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)c1 72359022 BXLNDLUOJAGART-INIZCTEOSA-N 390.447 2.845 0 40 GFAB O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NCCOc1ccc(F)cc1 49026240 OWPHHJRIECSAMG-UHFFFAOYSA-N 391.830 2.916 0 40 GFAB O=C(NC[C@](O)(c1ccco1)C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77099483 GOMBEQRCJMJRKN-QGZVFWFLSA-N 398.337 2.531 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)NCc3cnn4ccccc34)n(C)n2)c1 77100067 ZDWMFQXNPUNOTB-UHFFFAOYSA-N 391.431 2.682 0 40 GFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCCO2 77200963 JWTGUNZGYHSSKJ-UHFFFAOYSA-N 379.400 2.764 0 40 GFAB Cc1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223638104 WXNDFWUKPUGVPC-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB C[C@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896893 IAGGAKJHSSKTBX-CYBMUJFWSA-N 398.887 2.993 0 40 GFAB O=C(c1cc2c(cn1)OCCO2)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 573914459 AUKDXEHIMXDYTK-HNNXBMFYSA-N 391.431 2.658 0 40 GFAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 95479901 BSALXMXOAUQZIA-WBVHZDCISA-N 380.897 2.619 0 40 GFAB O=C1CC[C@@H](CC(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)CN1 580414630 ZMMOCXGABKIJHU-VIFPVBQESA-N 396.672 3.506 0 40 GFAB CCN1C[C@H]2C3(CCN(C(=O)c4ccoc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036323 JJITZYSDJBPLBS-WMZHIEFXSA-N 399.535 2.856 0 40 GFAB Cc1cc(N2CCC(NCc3cc(C4CC4)[nH]n3)CC2)nc(N2CCCC2)n1 95362557 AKGWLSQNSGDUDM-UHFFFAOYSA-N 381.528 2.744 0 40 GFAB COC(=O)C[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 253570144 NFQOYGSKVUFULD-GJPOJAMWSA-N 392.455 2.767 0 40 GFAB C[C@H](C(=O)N1CCC[C@]1(c1c[nH]c2ccccc12)C(F)(F)F)S(C)(=O)=O 622981332 WNLGLLLAEHODPC-BZNIZROVSA-N 388.411 2.981 0 40 GFAB CC(=O)Nc1cc(S(=O)(=O)NCC2([C@@H]3CCCCO3)CCC2)ccc1F 632684391 CNPSQIQEZFHZRJ-KRWDZBQOSA-N 384.473 2.802 0 40 GFAB CC[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)O 649261475 JDNAVVIMRADVLM-YGRLFVJLSA-N 387.263 2.825 0 40 GFAB CCN(C(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 665857854 FXPKAZQSMPWHRK-GOSISDBHSA-N 397.500 2.983 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCCC1)C2 585106827 IYMQJBBMOAHWEE-JOCHJYFZSA-N 380.492 2.957 0 40 GFAB CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2ccc3c(c2)OCO3)C1 58201316 XZBQJRHFUSKNMC-HOCLYGCPSA-N 375.469 2.642 0 40 GFAB Cc1cnc2c(S(=O)(=O)NCc3cccnc3-n3cccn3)cccc2c1 40090047 TWNKDLOUKCPHPK-UHFFFAOYSA-N 379.445 2.602 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775969136 YULFHKHBKGZLJI-CQSZACIVSA-N 384.413 2.766 0 40 GFAB CCOC(=O)C1=C(C)NC(=S)N(C(=O)CC)[C@@H]1c1cc(OC)ccc1OC 5416847 PGARITWDARJYGF-QGZVFWFLSA-N 392.477 2.709 0 40 GFAB Cc1occc1-c1nc(N2CCCC2)ncc1-c1ccnc(N2CCOCC2)n1 12667803 FHNKKDOZKWLLGF-UHFFFAOYSA-N 392.463 2.939 0 40 GFAB Cc1ccnn1CCNC(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 13227762 PRSZGFGILWODMU-UHFFFAOYSA-N 397.504 2.582 0 40 GFAB O=C(CCc1ccccc1)N1CCC[C@@H](Cn2nnc(-c3cccnc3)n2)C1 13267090 PPXAFFKVIXZIPW-GOSISDBHSA-N 376.464 2.607 0 40 GFAB CNc1ncc(CN2CCC(c3cc(=O)[nH]c(-c4cccc(C)c4)n3)CC2)cn1 19235532 FQSCYZSLOALVPO-UHFFFAOYSA-N 390.491 2.957 0 40 GFAB CCOc1ccccc1C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 19520140 GEIYQMBPDUISMY-GCJKJVERSA-N 378.428 2.542 0 40 GFAB CCc1nc(C)cc(N2CCN(C(=O)CCc3ccc4c(c3)C[C@H](C)O4)CC2)n1 19523130 REAZSZPISACILE-KRWDZBQOSA-N 394.519 2.952 0 40 GFAB COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)[nH]c2c1 19590548 BQIGQRSISSGSME-HXUWFJFHSA-N 391.475 2.932 0 40 GFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CN(c3ncccn3)CCO2)n1 19692739 AIKLABJBJPAORF-QGZVFWFLSA-N 380.427 2.717 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCCCN4C)n3CC1)CCCC2 19706446 RHYRJPLGNBDBQM-QGZVFWFLSA-N 397.523 2.914 0 40 GFAB COc1ccc(CCn2cncc2-c2cnc(N3CCOCC3)nc2)cc1C 19719326 KKPUZDAXHPTZPL-UHFFFAOYSA-N 379.464 2.736 0 40 GFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)C(C)C)C3)nc2C)c1 19757874 GSPQSYIZUWZQCX-QGZVFWFLSA-N 396.491 2.696 0 40 GFAB C[C@H]1OCCC[C@@H]1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 668293229 WSZGOPQVSJKABJ-CAPXZKIUSA-N 396.281 2.891 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CCn2nnc3ccccc3c2=O)cc1 21624565 RQCMNKNLNNZQQB-LJQANCHMSA-N 378.432 2.554 0 40 GFAB O=C(CCc1ccc[nH]1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542440 ZXDBNAJMQLERMT-UNMCSNQZSA-N 383.492 2.957 0 40 GFAB CCOC(=O)c1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 4331154 JZULZRYKOJBWBV-UHFFFAOYSA-N 382.468 2.992 0 40 GFAB CCOc1ccc(N2C[C@H](CNC(=O)NCc3ccc(OC)cc3)CC2=O)cc1 9039664 FKMHQHDKXBABAH-KRWDZBQOSA-N 397.475 2.946 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(N1CCCCC1)C(F)(F)F 19939037 LCVXAVZPKSSCHW-QGZVFWFLSA-N 388.386 2.733 0 40 GFAB COc1ccc(C2(CNC(=O)C(=O)NCCc3ccccc3)CCCC2)cc1 21691445 VKYICHSWZWMWMF-UHFFFAOYSA-N 380.488 2.982 0 40 GFAB Cc1cc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)c(Cl)cc1Cl 1775974194 MRHLAZBXRZDWOB-UHFFFAOYSA-N 393.336 2.835 0 40 GFAB CCOC(=O)CCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 35598297 ARMHJICNPZPRGD-UHFFFAOYSA-N 387.505 2.798 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 44225154 IXLRKARAKJUWEI-UHFFFAOYSA-N 392.415 2.894 0 40 GFAB Cc1cc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)no1 49029003 ZAOPNWGQPMUEGK-UHFFFAOYSA-N 384.421 2.758 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(C(F)(F)F)nc3)n2)cn1 225816503 SDBISRAMQAHBTL-UHFFFAOYSA-N 393.325 2.874 0 40 GFAB Cc1nc(N)nc(C)c1CCC(=O)NCC1(c2cccc(F)c2)CCOCC1 19719201 OPVMLCCBAWZIPQ-UHFFFAOYSA-N 386.471 2.612 0 40 GFAB Cc1nc(-c2ncccn2)sc1C(=O)OCC(=O)Nc1cc(F)ccc1F 40150444 BDYPSIIKFMOYKL-UHFFFAOYSA-N 390.371 2.982 0 40 GFAB O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 40160982 FPQRRJDAAHDTNY-AWEZNQCLSA-N 380.429 2.890 0 40 GFAB CCc1nnc(COC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)o1 32865420 HRIQJMBGMIDOIY-CYBMUJFWSA-N 393.465 2.552 0 40 GFAB CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)n(C)c1 32909960 JWLHJXLVNNLIFB-KBPBESRZSA-N 383.448 2.729 0 40 GFAB O=[S@@](CCSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 32931621 ZQKRTRXOYZPNDS-XMMPIXPASA-N 396.559 2.766 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(F)cc1 940474 KRMCGOSBJRUKAI-KRWDZBQOSA-N 380.383 2.748 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1OC 2376077 BGAQXRDRPRGODQ-UHFFFAOYSA-N 385.449 2.625 0 40 GFAB COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 2442386 SJNFYJSMUPAXBU-GOSISDBHSA-N 399.374 2.838 0 40 GFAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2CC)c1N 2687632 JMTQTWVHPJEIPV-UHFFFAOYSA-N 392.463 2.876 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CS[C@@H]3c4ccccc4C(=O)N23)cc1OC 4081597 JIBFKRAHUJVIAB-HRAATJIYSA-N 398.484 2.633 0 40 GFAB biogenic COc1ccc(CNC(=O)[C@@H]2CS[C@@H]3c4ccccc4C(=O)N23)cc1OC 4082052 XYVJPHFLQBJPMK-MGPUTAFESA-N 384.457 2.590 0 40 GFAB biogenic CCCOc1ccc(Br)cc1[C@H]1C(C(N)=O)=C(C)N=C2N=NNN21 4368801 BSYGPVYYLGLWGF-ZDUSSCGKSA-N 393.245 2.595 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)C2CCCCC2)C1=O 4514501 YFMQYPUUJZDPCJ-HXUWFJFHSA-N 375.444 2.774 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C)c1C 4815365 XEHQWLVMXIEAPD-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1cccc(OC)c1 4934918 BIFMUYYAKYUTIA-FQEVSTJZSA-N 393.443 2.539 0 40 GFAB COc1ccc(-c2noc(CNC(=O)COc3ccc(C)cc3)n2)cc1OC 4943627 NCOUJNZCRINOHT-UHFFFAOYSA-N 383.404 2.757 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1 5150825 PHWYEAUPUUIRPW-UHFFFAOYSA-N 393.428 2.795 0 40 GFAB CC(C)(C)P(=NC(=S)N1CCCC1)(N1CCOCC1)N1CCOCC1 5445200 MUYTVMVMZMJGCZ-UHFFFAOYSA-N 388.518 2.861 0 40 GFAB Cc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)N(C)C 5852477 NBAORMBLVYBTBI-UHFFFAOYSA-N 398.282 2.655 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 6611201 FJGWFLPLOBCSGF-GZBFAFLISA-N 379.453 2.953 0 40 GFAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCc1ccccc1 6876270 GIQBKBSOLLBHOS-UHFFFAOYSA-N 380.400 2.946 0 40 GFAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2ccccc2=O)cc1 7525754 FSAKAOWSQDOMDI-UHFFFAOYSA-N 377.400 2.748 0 40 GFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(Cl)cc1 7671491 AHPVGZGGFWVZQW-UHFFFAOYSA-N 385.851 2.794 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)cc1 7701451 CPOJHSVQQDITEH-UHFFFAOYSA-N 384.404 2.767 0 40 GFAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 8186312 SBLIJOXINDHLLA-KRWDZBQOSA-N 384.432 2.622 0 40 GFAB COc1ccccc1N1C(=O)N=C(O)/C(=C2\C[C@@H](c3ccccc3)NN2)C1=O 8994454 KLTVIUHAPADSCQ-FSLWVPIDSA-N 378.388 2.612 0 40 GFAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NC1CC1)c1ccc2c(c1)OCO2 9104996 MMJAQRNMMYHBFF-LBPRGKRZSA-N 385.445 2.823 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1cc(C(=O)OC)c(C)o1 9690763 YJUCKSCSFSXLGN-BQYQJAHWSA-N 390.461 2.614 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10446482 CCVBQXSDHHLFFW-UHFFFAOYSA-N 379.460 2.602 0 40 GFAB Cc1nn(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(=O)c2ccccc12 12116082 CJJOVWPDBNXVPR-IBGZPJMESA-N 387.443 2.945 0 40 GFAB COc1ccc(C[C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 12477031 OSJFQOGIKDNPQW-WMZOPIPTSA-N 385.460 2.955 0 40 GFAB biogenic COc1ccc(COC[C@@H](O)Cn2c([C@@H](C)O)nc3ccccc32)cc1OC 12648034 YOEJNICPXZCEMD-ZBFHGGJFSA-N 386.448 2.685 0 40 GFAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 12734065 JXKMTTZALLNKLW-FQEVSTJZSA-N 378.436 2.594 0 40 GFAB COc1cc(Cl)c(NCC(=O)NC[C@H]2COc3ccccc3O2)cc1OC 12917198 QRRKAUMGDYNKLI-LBPRGKRZSA-N 392.839 2.725 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 13847276 WQWJNNVVXRIISA-CQSZACIVSA-N 396.459 2.868 0 40 GFAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1OCC(N)=O 15820559 DWUJZDQGBHCDFE-GFCCVEGCSA-N 398.415 2.805 0 40 GFAB COC(=O)c1c(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCCC2 16246841 JDLSIIZPYMLWOH-CRJCFHLZSA-N 389.473 2.861 0 40 GFAB COc1ccc2cc(CCNC(=O)/C=C\c3ccc4c(c3)OCO4)c(=O)[nH]c2c1 16960236 AGHDKNBLIPALGW-CLTKARDFSA-N 392.411 2.638 0 40 GFAB CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N(CC)CC)c2C)cc1 17287762 UANGLZLLMHYWNW-UHFFFAOYSA-N 379.482 2.618 0 40 GFAB CCc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3cccc(F)c3)CC2=O)cc1 18006110 IBXHYHMMHDPSQA-INIZCTEOSA-N 397.450 2.838 0 40 GFAB Cc1ccc(F)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 18230632 YTJVADXGPAEZEI-AWEZNQCLSA-N 395.456 2.778 0 40 GFAB Cc1ccc(C(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)cn1 19214935 WEXUOMYONDNDMH-UHFFFAOYSA-N 381.455 2.884 0 40 GFAB Cn1cc(-c2cc(C(=O)NCc3cccc(CN4CCCCC4)c3)no2)cn1 19290761 KXACLMBCNSSKCL-UHFFFAOYSA-N 379.464 2.991 0 40 GFAB CCn1cc(CN2CCN(C(=O)C[C@H](C)n3nc(C)c(Cl)c3C)CC2)cn1 19524957 ZHBGHHJIRCZTTE-AWEZNQCLSA-N 392.935 2.665 0 40 GFAB CCOc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(CC)CC2)cc1 19528028 SUJITQBLGPOOAQ-HXUWFJFHSA-N 384.528 2.914 0 40 GFAB CSc1nnc([C@H]2CCCN2C(=O)[C@H](C)Cn2nc(C)c(C)c2C)n1C 19556815 XBIOFYBMAODACM-IAQYHMDHSA-N 376.530 2.659 0 40 GFAB Cc1nc([C@H](Cc2ccsc2)NC(=O)CCN2CCOCC2)sc1C 19559741 VEEFKAPUNMBUCA-INIZCTEOSA-N 379.551 2.944 0 40 GFAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccc1F)CN(C(=O)c1ccccc1)C2 19696309 DDIZFXUMBVRXPG-SFHVURJKSA-N 392.434 2.615 0 40 GFAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)O)c2)c1 20153515 SAOPXTLTAZCBOX-UHFFFAOYSA-N 390.417 2.543 0 40 GFAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)n(C)n1 22768218 XEMJLAUYFXQRGN-UHFFFAOYSA-N 399.520 2.707 0 40 GFAB NC(=O)c1cc(-c2csc(NC(=O)c3cncc(Br)c3)n2)c[nH]1 22831791 MAFUPNSHODSPDM-UHFFFAOYSA-N 392.238 2.647 0 40 GFAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccccc23)c1 24226002 MAGPAOIUEJYFCP-UHFFFAOYSA-N 390.486 2.891 0 40 GFAB COc1ccc(CN2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1F 25797611 OOIGRTYJGFLDLX-UHFFFAOYSA-N 398.434 2.964 0 40 GFAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1C 27663964 VNOVOBILHQWFOA-LJQANCHMSA-N 387.501 2.898 0 40 GFAB COc1cc(F)c(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1OC 27959023 HYEKZGZGMYSOPU-MRXNPFEDSA-N 394.468 2.520 0 40 GFAB CCc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nn2)N(C)C)cc1 32734320 LRIWRJQWXWUYRM-OAQYLSRUSA-N 377.492 2.922 0 40 GFAB COc1cc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc(OC)c1O 36354806 LFPHJFZBEGEREW-LLVKDONJSA-N 391.449 2.826 0 40 GFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CC(c2cccc(F)c2)=NO1 36398444 SEAQEISJTKSSNU-GOSISDBHSA-N 392.394 2.946 0 40 GFAB COc1ccccc1OCC(=O)NCCCN1CCO[C@H](c2ccccc2)C1 36700022 MBGPIYLYCSIDPL-NRFANRHFSA-N 384.476 2.654 0 40 GFAB COc1cccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[nH]n2)c1 38490009 ZSYDXUJUQQCHLR-ZBFHGGJFSA-N 390.443 2.507 0 40 GFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N(C)C)cc1 38628703 DHQICLNTQYGTEC-LJQANCHMSA-N 389.521 2.862 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 38728772 WXFBXUQWINNVBR-RTWAWAEBSA-N 391.471 2.733 0 40 GFAB COc1ccccc1/C=C/C(=O)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386182 BMWAXHJRMLYVLG-HHNLSAEISA-N 376.412 2.886 0 40 GFAB CN(Cc1ccco1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 42048348 LDRZXYFGUPBJSM-UHFFFAOYSA-N 376.478 2.655 0 40 GFAB Cn1ncc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(Cl)c1=O 42674729 NRRABSZBRRGQMK-UHFFFAOYSA-N 386.805 2.775 0 40 GFAB COc1cc(S(=O)(=O)n2nc(C)cc2C)c(OC)cc1Br 48044550 NFLUMIOSTOBPAM-UHFFFAOYSA-N 375.244 2.517 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)C1 48114014 HUJBVXSUMYQDCB-NSHDSACASA-N 398.843 2.942 0 40 GFAB O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(N2CCOCC2)cn1 51033856 SNDAMIQTPMYQDN-UHFFFAOYSA-N 381.354 2.998 0 40 GFAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 56407351 XNASMMWDESARFU-HXUWFJFHSA-N 387.524 2.521 0 40 GFAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(F)ccc3F)C2=O)c(C)o1 58191166 DDFDRANDDVDJSH-GOSISDBHSA-N 377.347 2.580 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2ncccc2c1 58378080 YMMOJGVHNMNCHE-UHFFFAOYSA-N 398.440 2.809 0 40 GFAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2o1 66306233 PYJPYZVFHDKVGA-UHFFFAOYSA-N 395.234 2.635 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 67106175 KCLHTFSHRLKYKO-WFASDCNBSA-N 387.802 2.749 0 40 GFAB CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 78951117 CGTAADXRMCUNTK-UHFFFAOYSA-N 393.443 2.919 0 40 GFAB COc1ccc(-n2cc(CNC(=O)C[C@@H]3OCCc4ccsc43)nn2)cc1 89455514 LJQWNDSDWFACBH-KRWDZBQOSA-N 384.461 2.658 0 40 GFAB Cc1ccc2[nH]c([C@H]3CCCN(CCN4C(=O)NC5(CCCC5)C4=O)C3)nc2c1 89657602 DKNIOLXQCGMASY-INIZCTEOSA-N 395.507 2.915 0 40 GFAB Cc1ccc(N2C[C@@]3(COCCN(Cc4ccc(F)cc4)C3)OCC2=O)s1 96051465 GRRRWJWPVUVXMA-FQEVSTJZSA-N 390.480 2.830 0 40 GFAB Cc1ccc(S(=O)(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cc1F 96259141 LAZDDUZUFOMOSK-UHFFFAOYSA-N 392.500 2.558 0 40 GFAB CCc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 96318592 QILWFYIJDSUVGJ-OAQYLSRUSA-N 377.488 2.699 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@H]3C2=O)cc1 100033245 BUARZOXKKCIUSY-RBUKOAKNSA-N 391.431 2.544 0 40 GFAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102329994 NGEGGVYNURDQQT-HAGHYFMRSA-N 389.411 2.677 0 40 GFAB COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccccc3C(C)=C[C@H]21 103462146 KBFDNAPGBWEVPX-FCGDIQPGSA-N 396.487 2.524 0 40 GFAB C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 105573925 BUMDPNBFATUOAP-UHIISALHSA-N 381.466 2.786 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218464763 JOKFNCKTRSNNSX-XYJFISCASA-N 380.849 2.997 0 40 GFAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 220182585 FRXQWJKXYAKWIC-UONOGXRCSA-N 394.468 2.866 0 40 GFAB C[C@H](C(=O)NCCCc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220458434 OAGPXWGWZZOKML-CQSZACIVSA-N 396.459 2.868 0 40 GFAB CC(C)c1ccccc1OCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223782947 KRTPNXULGOMNEF-HDICACEKSA-N 384.476 2.646 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3)ccc21 224423923 OXWBJKYKZJRAOB-HNNXBMFYSA-N 388.489 2.732 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)Cc1cc(F)ccc1F 238883948 PSPKJHYSOANHCN-IBGZPJMESA-N 397.443 2.617 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2cccnc2)Oc2ccccc21 247466507 CSOMFKMFUCXVEM-NTPFDHPUSA-N 377.444 2.653 0 40 GFAB CC(=O)Oc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 254409982 CQJXSGFZKDREOZ-UHFFFAOYSA-N 397.843 2.944 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257279808 OIGDEPMLTHBYFW-HXUWFJFHSA-N 376.464 2.573 0 40 GFAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)NC(C)C 260572627 KXLJRLNMFWQOQP-CQSZACIVSA-N 388.489 2.973 0 40 GFAB CN(C)C/C=C/C(=O)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 585292316 KQAHZMQMMDVGFO-ONEGZZNKSA-N 386.525 2.576 0 40 GFAB Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2c[nH]nc2-c2ccc(Cl)cc2)n1O 604418702 LRHLCZKSBOSBFC-CQSZACIVSA-O 375.836 2.817 0 40 GFAB Cc1c(C(=O)N[C@](C)(CO)c2ccccc2)nnn1Cc1ccc(F)cc1F 616803638 HQABRTPQECIVHA-HXUWFJFHSA-N 386.402 2.551 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H]3CCCn4ccnc43)cc2)C1 655695283 WGEULZZEIPLZFI-APWZRJJASA-N 388.537 2.928 0 40 GFAB CCn1ccnc1CNC(=O)N1CCOc2cc(Br)ccc2C1 661261489 HNFJTXGUAAQDFN-UHFFFAOYSA-N 379.258 2.770 0 40 GFAB CCN1CCO[C@@H](CNC(=O)Nc2ccc3nccn3c2)[C@@H]1c1ccccc1 666132357 UXQAEEISRAGBIX-ICSRJNTNSA-N 379.464 2.918 0 40 GFAB CCN1CCC(N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)CC1 1615125412 ZRVGWXUYUXNUQF-JOCHJYFZSA-N 389.515 2.898 0 40 GFAB CC1(C)C[C@]2(CCCN2C(=O)CCN2CCOCC2)CN1c1cccc(F)c1 1615126920 OWJPSDMSYFBFHS-JOCHJYFZSA-N 389.515 2.898 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615161008 VCTOMTKPAFIQPA-HSZRJFAPSA-N 394.471 2.662 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(C(=O)c4scnc4C)CC3)cnc2c1 1848625202 PBDWMAZTUCNIJJ-UHFFFAOYSA-N 398.488 2.722 0 40 GFAB CCN=c1ccnc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)[nH]1 2087152670 QWKKZADDPWPXQN-UHFFFAOYSA-N 380.521 2.776 0 40 GFAB NC(=O)[C@H]1CCCN(CCCNC(=O)c2ccccc2Oc2ccccc2)C1 58310462 QLOHDGSMABCJNL-KRWDZBQOSA-N 381.476 2.796 0 40 GFAB Cc1nc2cc(F)cc(C(=O)NCc3ccnc(-n4cccn4)c3)c2nc1C 40153974 LIJPJCCMIPENJB-UHFFFAOYSA-N 376.395 2.896 0 40 GFAB CN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 30804683 RBBHZGRXBGWHJK-QUCCMNQESA-N 397.500 2.640 0 40 GFAB COc1cc2ncn(CCCC(=O)NC3CCC(C)CC3)c(=O)c2cc1OC 10753205 YUPMURWIWOGOHF-UHFFFAOYSA-N 387.480 2.889 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 36392303 NSKPHMYFAVHZTK-UHFFFAOYSA-N 377.433 2.978 0 40 GFAB CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(CC)CC3)C2=O)cc1 100552084 QNZRVKFIGHOQNU-FQEVSTJZSA-N 387.524 2.915 0 40 GFAB COc1ccc(NC(=O)CN2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 4908883 KBTKFJGPBVXKNZ-UHFFFAOYSA-N 397.475 2.537 0 40 GFAB CCN1CCN(C2(CNC(=O)COc3ccc(F)cc3)CCCCC2)CC1 28404251 XNJIRBLAQPNSOQ-UHFFFAOYSA-N 377.504 2.661 0 40 GFAB COc1ccc2c(c1)[C@@H]1NC(=S)N[C@@](C)(O2)[C@@H]1C(=O)Nc1ccccc1C 100870420 OMEBMIFLGJRKPD-ZWOKBUDYSA-N 383.473 2.886 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 7871994 ZXDSNAZTMROMHA-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1Cl 7939716 OUGJBPWUCGYGAH-UHFFFAOYSA-N 378.812 2.820 0 40 GFAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccnn3C(C)C)C2=O)cc1 31845889 IPTNRYAXKCQNFQ-NRFANRHFSA-N 397.479 2.993 0 40 GFAB COC(=O)c1ccc2nc(NC(=O)CSc3nnc(C)s3)sc2c1 4993014 XMPCGAJLZAHEPC-UHFFFAOYSA-N 380.476 2.974 0 40 GFAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCO)c(=N)c32)cc1 101153815 CWTCVTRGYVNVBJ-GOSISDBHSA-N 379.416 2.745 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3cnn(CC(F)F)c3)c12 36619038 CMCQGHZJYKBLEZ-UHFFFAOYSA-N 387.350 2.646 0 40 GFAB COc1cc(Br)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 41091795 MAJISEXJYQDKHZ-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1 9480329 XZZVMMWKTNNJLI-UHFFFAOYSA-N 377.780 2.931 0 40 GFAB COc1ccc([C@@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 32768827 NNAMYQIDDRZBIH-FQEVSTJZSA-N 399.466 2.880 0 40 GFAB COc1ccccc1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 20483951 SJDJTPBUYCBYGV-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(OC)cc2OC)c1 56122168 VCCDSVKNHRXRDJ-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB O=C1COc2ccc(S(=O)(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2N1 29350823 ZGGQFAYPEUVZEH-CYBMUJFWSA-N 394.449 2.672 0 40 GFAB COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 32935297 MRKDJDVADBYOKW-UHFFFAOYSA-N 392.408 2.540 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cc(OC)ccc2OC)c1 27971910 CKHGPGYRLZFWMC-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB COC(=O)c1ccc(COC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)o1 102788199 BPMOBKSTRQZTKZ-RCRDTURJSA-N 375.421 2.585 0 40 GFAB CN1CCN(Cc2nn(-c3ccc(C(=O)O)cc3)c(N)c2-c2ccccc2)CC1 26511508 YZOOSOSFTIIZEB-UHFFFAOYSA-N 391.475 2.567 0 40 GFAB CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 22276169 STEKBAVTAUZZCS-UHFFFAOYSA-N 397.294 2.699 0 40 GFAB CCc1nnc(COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)o1 29865588 MACRVPRZQMFZBO-UHFFFAOYSA-N 383.404 2.918 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(N(C)C)cc1 11919199 KHHIMYYNRIZNGS-HNNXBMFYSA-N 394.475 2.589 0 40 GFAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 24908358 FMYHEFYMVVIKOB-ZDUSSCGKSA-N 381.823 2.912 0 40 GFAB O=C(COC(=O)c1cccc(O)c1)NC1(c2ccc3c(c2)OCCO3)CCCC1 12486396 UTHGWIXZQAJSLR-UHFFFAOYSA-N 397.427 2.906 0 40 GFAB COc1cccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 3189540 MKZPMZVSNPEFGA-UHFFFAOYSA-N 392.458 2.726 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)OCc1nc(-c2cccs2)no1 7018956 IKJUQDSYEYDLEI-UHFFFAOYSA-N 378.431 2.705 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 58292229 MYDNOMRWBIJURS-UHFFFAOYSA-N 379.416 2.594 0 40 GFAB CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 2136954 FDFFBQQNCMBIKH-BUHFOSPRSA-N 388.445 2.570 0 40 GFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1ccc(-n2cncn2)nc1 48261422 YLTLQFIREHDRPA-UHFFFAOYSA-N 398.492 2.947 0 40 GFAB C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)C2=Cc3ccccc3CC2)C[C@@H](C)O1 48285803 DJZWGVVBQSVULJ-HLIPFELVSA-N 390.549 2.877 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 3333518 ACIZAHQKIUKXPO-NRFANRHFSA-N 397.862 2.692 0 40 GFAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(S(C)(=O)=O)cc1 48375361 CYQUFENATRPFDH-MRXNPFEDSA-N 389.473 2.782 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1 12849440 GZVXDVWSVTWPGU-UHFFFAOYSA-N 390.386 2.895 0 40 GFAB O=C(COC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)NC1CCCCC1 12980079 XFRJMZUQHYCAFU-UHFFFAOYSA-N 396.369 2.892 0 40 GFAB CCCc1nnc(S)n1CC(=O)NCc1cc(Br)cs1 48607194 PGCUVTRIWJAPGW-UHFFFAOYSA-N 375.317 2.660 0 40 GFAB Cc1ccc([C@@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 13258363 NCGGATBBNSRLAU-CQSZACIVSA-N 382.338 2.508 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 4043870 KRLYUXNVUKKXJP-UHFFFAOYSA-N 392.458 2.969 0 40 GFAB O=C1O[C@@H](c2c(O)[nH]c(=O)n(-c3cccc4ccccc34)c2=O)c2ccccc21 17028622 NQAWUNFLROICOU-GOSISDBHSA-N 386.363 2.644 0 40 GFAB Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F 13956773 HLJIUFYPFIULED-UHFFFAOYSA-N 391.403 2.580 0 40 GFAB CCNC(=O)CSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 14085721 LXTXBQSBOYYGGF-ZIAGYGMSSA-N 377.514 2.630 0 40 GFAB O=C(NS(=O)(=O)c1c(Cl)cccc1Cl)c1cccc2c1OCCO2 65644775 WMNVPPRXKQBCAV-UHFFFAOYSA-N 388.228 2.883 0 40 GFAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(=O)O)c4)ccc1c23 4660895 KQTYCEJBQKGRKN-UHFFFAOYSA-N 382.397 2.929 0 40 GFAB C/C(CC(=O)NC(C)C)=N\NC(=O)COc1ccc(Br)c(C)c1 6645957 DATFOOMSTYHSOC-XDHOZWIPSA-N 384.274 2.543 0 40 GFAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649484 OZAKUHMCSVAOEE-UHFFFAOYSA-N 379.416 2.517 0 40 GFAB CC(C)n1c(SCC(=O)NC2=NCCS2)nnc1-c1ccccc1F 4736574 JNBHTDLIKIAFTA-UHFFFAOYSA-N 379.486 2.976 0 40 GFAB O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 4868218 ODDXERLEVMGGBC-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB Cc1c(C(=O)NCc2cccnc2N(C)C)nnn1-c1ccc(OC(C)C)cc1 66823172 ZRLLMUGRPKHTFS-UHFFFAOYSA-N 394.479 2.754 0 40 GFAB CC(C)[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 8883822 DLEACGPARBOCEE-GJZGRUSLSA-N 379.461 2.747 0 40 GFAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 408555983 YMETXLHQMBEMNN-UHFFFAOYSA-N 389.839 2.659 0 40 GFAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN(C)[C@@H](C)CSCC 72305349 AOHQUTGANSKEKC-INIZCTEOSA-N 395.569 2.946 0 40 GFAB CC(C)C[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc(-c2nc[nH]n2)no1 89821052 PBHGPCYTNPJHHD-AWEZNQCLSA-N 382.424 2.721 0 40 GFAB C[C@H]1c2cccn2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 78878073 ZTWTXMWBYSNAIB-HOTGVXAUSA-N 377.485 2.807 0 40 GFAB COc1cc(NC(=O)CCOc2ccc(C(N)=O)cc2)c(OC)cc1Cl 79012981 JUNJUMWNFMPAFG-UHFFFAOYSA-N 378.812 2.864 0 40 GFAB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc2c1OCO2 409390311 DYOIHKYIPVJOJY-IUXPMGMMSA-N 380.425 2.811 0 40 GFAB Cn1c(SCC2=N[C@H]3C=CC=C[C@H]3C(=O)N2)nnc1-c1cc2ccccc2o1 25142832 PJGBMOBJSPRFTI-KGLIPLIRSA-N 391.456 2.960 0 40 GFAB O=C1CCc2cc(C(=O)OCC(=O)Nc3cccc4ncccc34)ccc2N1 21535251 YHPDQEUBYAOAQQ-UHFFFAOYSA-N 375.384 2.915 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1C 408610107 UWXNFFWVKWYQCW-UHFFFAOYSA-N 375.450 2.504 0 40 GFAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32102072 HTGKQKRUUXGHES-AWEZNQCLSA-N 393.403 2.890 0 40 GFAB CN1CCn2c(nnc2[C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)C1 72373879 DZMVTRJOLQZNDV-MRXNPFEDSA-N 384.484 2.737 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccc(Cl)cc1 72241285 KRUIAJNOTYULPT-ZWKOTPCHSA-N 376.815 2.694 0 40 GFAB CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)N3)nc1 71745776 DBUCHVDVGAZWHD-BGYRXZFFSA-N 387.487 2.843 0 40 GFAB Fc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCOCC3)n2)cc1 225949587 XZQMMCJZATWDDS-UHFFFAOYSA-N 381.864 2.592 0 40 GFAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 223649543 WQMZWIDKVASFLB-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(SC)cc2)c(OC)c1 224978285 GFZDXEYREBOURK-UHFFFAOYSA-N 397.474 2.706 0 40 GFAB CCN(CC)CCCNC(=O)CCC(=O)NCc1cccc(Br)c1 199421474 QRZVFODBIFAPQN-UHFFFAOYSA-N 398.345 2.694 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1 225101774 KCLHVWUPZHEUSM-UHFFFAOYSA-N 392.506 2.878 0 40 GFAB O=C(Cc1cccs1)N1CCc2nc(N3CCCC3)nc(NC3CC3)c2C1 96254121 QZQJTHFZPVPRJV-UHFFFAOYSA-N 383.521 2.840 0 40 GFAB Cc1sc(-n2cnnn2)c(C(=O)N[C@H](c2ccccc2)c2nccn2C)c1C 583652543 CJMMNUNCDWYYOV-MRXNPFEDSA-N 393.476 2.594 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 260565772 URVKGNHQQDMWDQ-GOSISDBHSA-N 388.489 2.729 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260839034 GXFVMMNZOAKCFZ-LBTBCDHLSA-N 380.510 2.545 0 40 GFAB NC(=O)c1c[nH]c2ncnc(N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)c12 621287443 NQJRNMXCMMMWQQ-CYBMUJFWSA-N 394.483 2.607 0 40 GFAB Cc1cc(NC(=O)N2CCC[C@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)no1 682737583 FLSBAESNTBXLSJ-AWEZNQCLSA-N 394.435 2.679 0 40 GFAB NS(=O)(=O)CCCCNC(=O)c1ccc(Oc2ccccc2Cl)cc1 647230585 LOOMPCFELHZYFI-UHFFFAOYSA-N 382.869 2.931 0 40 GFAB CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)s1 654640094 ZBBOTJNNIJRTAR-RYUDHWBXSA-N 378.502 2.886 0 40 GFAB O=C(NCCc1noc2ccccc12)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 661063432 UVQXRENBGIHVSG-GOSISDBHSA-N 396.422 2.610 0 40 GFAB COc1ccccc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96373877 UXXAJMDQTCKHEG-UHFFFAOYSA-N 377.437 2.913 0 40 GFAB CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 575404311 LNBWNNCORMCSCB-QGZVFWFLSA-N 396.491 2.700 0 40 GFAB Cc1cccc(Oc2cc(CNC(=O)N(C)Cc3cn(C)nn3)ccn2)c1C 685938935 SWMKZQIBDUQTQR-UHFFFAOYSA-N 380.452 2.961 0 40 GFAB O=C(Cc1ccccc1F)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615158327 MBWGZYKSMFPCML-JOCHJYFZSA-N 382.435 2.793 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 5192972 UYABBAJIRGQLIL-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB OC1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1nnnn1Cc1ccccc1 12113139 CNLDSZHUORCCES-RLAPIPATSA-N 393.466 2.875 0 40 GFAB Cc1cc2nccc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)n2n1 12119005 UBYVABRTYVWLFT-INIZCTEOSA-N 378.432 2.829 0 40 GFAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cnc(N(C)C)nc2)C3)cc1 12361658 VKAVXIZDPXYJMJ-QIDMFYOTSA-N 382.508 2.671 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCCc3cccs3)cc2s1 13688275 YWLIAVWINUWFFE-UHFFFAOYSA-N 381.504 2.702 0 40 GFAB COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 14153975 AIJCCMITCHILRL-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB CCn1nnc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 16019719 YZWJFMCDJHGLDH-UHFFFAOYSA-N 376.420 2.501 0 40 GFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)NCc1ccccc1 17115480 HOUDMBQAXIECCF-UHFFFAOYSA-N 396.447 2.672 0 40 GFAB COc1ccc(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1Cn1cccn1 19712576 ZOWYLXCGMMPPOT-NHCUHLMSSA-N 382.508 2.915 0 40 GFAB O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718884 XFQGQKOBAOZZIG-OAHLLOKOSA-N 395.850 2.971 0 40 GFAB CCOc1ccc(-n2nc3c(N4CCCN(C)CC4)nnc(C)c3c2C)cc1 19797079 JLAWHETZHKJJTQ-UHFFFAOYSA-N 380.496 2.973 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H]([C@H](NC(C)=O)c3nccs3)C2)cc1 12157998 DLRGSQODESOYHU-APWZRJJASA-N 387.505 2.810 0 40 GFAB COc1ccc(CC(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187425 WTYKUICNAVFLDI-UHFFFAOYSA-N 393.447 2.792 0 40 GFAB CC[C@@H](C(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1)c1ccccc1 1888897738 XEZXOVBXLXRRDK-CEXWTWQISA-N 390.491 2.521 0 40 GFAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cn2ccccc2=O)o1 27837815 GCFGIJNXZWBEML-QGZVFWFLSA-N 377.444 2.746 0 40 GFAB Cc1ccc(=O)n(CC2CN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)C2)n1 1775985931 JRNCNQBSDPGLBY-GFCCVEGCSA-N 396.274 2.784 0 40 GFAB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4ncnc5[nH]cnc45)C3)ccc2n1 2087065691 PTZYATUUDPMDBT-CYBMUJFWSA-N 392.467 2.598 0 40 GFAB COc1ccc(CN2CC3(CCN(C(=O)c4c(C)noc4C)CC3)CC2=O)cc1 1565542412 VYGOBVCSZDNYNN-UHFFFAOYSA-N 397.475 2.955 0 40 GFAB CCOC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2CCNC(C)=O)cc1 4708532 OKEISLHZXPEYKE-QGZVFWFLSA-N 377.510 2.941 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)c1 7458853 BVUDVOIJJFSOOU-UHFFFAOYSA-N 399.378 2.650 0 40 GFAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCC1)c1ccc2c(c1)OCCO2 8899759 IXJAIKAMZAWJKI-MRXNPFEDSA-N 394.518 2.635 0 40 GFAB COC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O 10273590 HLPVAKRLLIGAGV-UHFFFAOYSA-N 385.807 2.784 0 40 GFAB Cc1cc2ncc(CCCNC(=O)c3sc(-n4cccc4)nc3C)cn2n1 206823539 XEARSILNIIMCAM-UHFFFAOYSA-N 380.477 2.956 0 40 GFAB Cc1cc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc(C)n1 575609547 MYQUTIULLXMVHO-OAHLLOKOSA-N 381.885 2.979 0 40 GFAB O=C(Nc1cccs1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148501 NFFMHCRIDCAGFU-UHFFFAOYSA-N 390.387 2.571 0 40 GFAB Cc1cc(Br)cnc1N1CCC(C(=O)N2CCSCC2)CC1 2298042586 JDSNOOQGMOHOGY-UHFFFAOYSA-N 384.343 2.944 0 40 GFAB CCN(Cc1cc(C)ccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431066 HFCSFRBGJKAHDT-UHFFFAOYSA-N 378.476 2.810 0 40 GFAB CCOC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1 899896 QCWNYPBFNFIXFM-OAHLLOKOSA-N 394.472 2.864 0 40 GFAB C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 6509874 AJLXEEYROTZKNE-SNVBAGLBSA-N 383.267 2.588 0 40 GFAB O=C(NCC1CCCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 6581051 NGXNUKQFMFABOI-UHFFFAOYSA-N 389.521 2.544 0 40 GFAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1cccc(Br)c1 6961965 NBOJTXUNDCUUHD-QPEQYQDCSA-N 387.237 2.959 0 40 GFAB C[C@H](OC(=O)[C@@H](C)NC(=O)Nc1ccccc1)C(=O)N(C)C1CCCCC1 32691601 UGKYDFUUXYRJFH-CABCVRRESA-N 375.469 2.919 0 40 GFAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(Cl)c(Cl)c1 8748813 BALTYDNIRJFVQP-UHFFFAOYSA-N 387.288 2.988 0 40 GFAB COc1ccc(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)cc1F 8761883 QUOYKWVEUFMVMK-UHFFFAOYSA-N 384.396 2.956 0 40 GFAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(c2ncccn2)CC1 29572644 LQZHLOREJNHUAE-UHFFFAOYSA-N 390.418 2.809 0 40 GFAB CCc1ccc2c(CC(=O)NCc3ccc(S(N)(=O)=O)s3)coc2c1 32988851 UAXFMFHTEHLUFP-UHFFFAOYSA-N 378.475 2.563 0 40 GFAB O=C(c1ccc(F)c(F)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 52772525 SPZWBEDXMHNYGZ-UHFFFAOYSA-N 398.406 2.641 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1Cl 9974626 MRSDEQKZRAPJJV-LBPRGKRZSA-N 388.917 2.664 0 40 GFAB Cn1c(S)nc2cc(C(=O)NCCCOC3CCCCC3)ccc2c1=O 102854946 LWCAKQXTOYIQPH-UHFFFAOYSA-N 375.494 2.691 0 40 GFAB O=C1C2=C(CCCC2)[C@@H](NCCCN2CCOCC2)N1Cc1ccc(F)cc1 23343328 JHQLTXZAVIYHNH-NRFANRHFSA-N 387.499 2.677 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ncn1 939856 FAYOBYROUSFVSB-UHFFFAOYSA-N 390.465 2.805 0 40 GFAB CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CC1 105090403 BPOHFNBMCLNIKP-UHFFFAOYSA-N 385.942 2.950 0 40 GFAB O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(Br)c1 42714835 JUDDCQDQYBBCJK-CYBMUJFWSA-N 386.271 2.625 0 40 GFAB COc1ccc(-c2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)cc1 12388926 AOQIMNOZMURVHY-UHFFFAOYSA-N 395.488 2.500 0 40 GFAB CCOc1c(Br)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 1438303 UMQKCJJLIJMGOO-ZDUSSCGKSA-N 399.241 2.657 0 40 GFAB Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1 20121156 ZVKUCSLFGZFUKC-NRFANRHFSA-N 376.508 2.561 0 40 GFAB COc1c(Br)cc(Br)cc1CNCC(=O)NC(C)C 35011301 MVBGMNFGEOBQCI-UHFFFAOYSA-N 394.107 2.834 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 20014012 JAIFWGRAIHFJEX-INIZCTEOSA-N 390.505 2.892 0 40 GFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CSCN1C(=O)c1ccccc1 107329160 PBWWVMDNMKXXHH-VQTJNVASSA-N 395.528 2.592 0 40 GFAB O=C(CSc1nc(O)c2nc[nH]c2n1)Nc1ccc(Br)cc1 10003379 HOLKDVSEEQDGEM-UHFFFAOYSA-N 380.227 2.552 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCn1nc(C)cc1C 27508660 OCYTVMJKSCMJDS-SFHVURJKSA-N 388.537 2.558 0 40 GFAB COC(=O)CCOc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 58179971 IMCMNLRTYQKXCF-UHFFFAOYSA-N 379.434 2.575 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1nc(-c2cccnc2)cs1 12517594 BKZPZBZQQFLTOG-UHFFFAOYSA-N 380.429 2.959 0 40 GFAB Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)N3CCCC[C@@H]3C)c2)n1 58418038 MQNYZDHQWQVEOX-INIZCTEOSA-N 376.526 2.757 0 40 GFAB O=c1/c(=C/c2cccs2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 2245845 ZAQLIXVBBYXRRU-ZSOIEALJSA-N 395.431 2.874 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1Cl 10833748 WFRMBIKVOXVMGU-HNNXBMFYSA-N 396.896 2.869 0 40 GFAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(NC(N)=S)cc2)cc1 3296253 KGYDBKJYWVPSMV-NYYWCZLTSA-N 386.502 2.877 0 40 GFAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(F)c1 12762096 RLUABYHANYTZBG-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB C[C@H](CC(=O)N[C@H](c1ccccc1)c1nccn1C)NC(=O)c1ccccc1 12735676 NSKIWBGYTYKYON-OXQOHEQNSA-N 376.460 2.834 0 40 GFAB CN(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 3398326 UPJKLVKKMCETOJ-UHFFFAOYSA-N 382.445 2.843 0 40 GFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c(F)cc1F 12863997 DPTIUXSVLIULRS-SNVBAGLBSA-N 392.333 2.882 0 40 GFAB CCOc1ccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)cc1OCC 3430290 NMUYZZACSBUASA-UHFFFAOYSA-N 396.451 2.535 0 40 GFAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)c(C(=O)OC)c1C 3416477 JMZWHIOJRBUQND-UHFFFAOYSA-N 387.410 2.570 0 40 GFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3456643 IXHOUKGGIHWGNW-LJQANCHMSA-N 389.814 2.563 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 12995398 HPAMWCDPFNDYHW-IBGZPJMESA-N 393.487 2.715 0 40 GFAB COc1ccc(-c2nnc3s/c(=C\c4sccc4C)c(=O)n23)cc1OC 3641682 YMWNBYSQMJQRLR-DHDCSXOGSA-N 385.470 2.753 0 40 GFAB Cc1ccc(-c2c3c(nc4nc(N5CCOCC5)[nH]c(=O)c24)CCCC3=O)cc1 20673643 SQLMCXXNMQQNPW-UHFFFAOYSA-N 390.443 2.649 0 40 GFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@H]1COc2ccccc2O1 8391695 HZSMGXXYZQRYMD-NSHDSACASA-N 390.852 2.660 0 40 GFAB COc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 64988486 BZEWPJYLHPINIW-GOSISDBHSA-N 390.461 2.559 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)cc1 20013656 LEIGSBJDZHBYBX-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB COCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408562070 XOVHJRBYGCLCCU-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2N)cc1 18406023 HNPYAQBGHBQZCP-GFCCVEGCSA-N 376.840 2.835 0 40 GFAB Cc1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 4384036 UUFSPOCLJNFJHF-UHFFFAOYSA-N 377.433 2.866 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 14069725 NHDHTPQCJOVNCO-GFCCVEGCSA-N 376.844 2.641 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 14184892 CZJPZIYVHCJOOL-YOEHRIQHSA-N 386.521 2.980 0 40 GFAB COc1ccc(-c2noc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)cc1OC 4721607 AIDNXDRMRFXZNC-UHFFFAOYSA-N 388.468 2.793 0 40 GFAB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3nncs3)n2C)c1 4816359 IVWAFSVUNDQOHN-UHFFFAOYSA-N 390.494 2.593 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)N1CCO[C@H](c2ccccc2F)C1 67042526 OTLWZYCPBKNVIX-SFHVURJKSA-N 381.411 2.690 0 40 GFAB CCCCn1c(CN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 7048919 CZQATBIAKFGXHB-UHFFFAOYSA-N 395.507 2.721 0 40 GFAB C[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(-n2ccnc2)cc1 18048328 LGPFMQYWFDQBDY-LZQZEXGQSA-N 394.475 2.615 0 40 GFAB COC(=O)c1cc(CNC(=O)CCc2cnn(-c3ccccc3)c2)ccc1OC 15723129 FJTMTHOZNCWDFA-UHFFFAOYSA-N 393.443 2.917 0 40 GFAB COc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 9236425 DCZGLJTXPWMBEH-ROUUACIJSA-N 395.488 2.671 0 40 GFAB O=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(OCc2ccccc2)cc1 84541267 HGXNDLCQTNNNSV-OAQYLSRUSA-N 395.503 2.611 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)cc1 84726639 BCQMJOSVQGTXIU-VIFPVBQESA-N 390.387 2.758 0 40 GFAB CC(C)[C@H](O)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1 95444424 OKHVTVBCVWNHDO-IBGZPJMESA-N 376.478 2.830 0 40 GFAB COc1cc(CC2CN(C(=O)c3cccc(N4CCOC4=O)c3)C2)cc(OC)c1 79016209 ZKVXCGAGSCLTPR-UHFFFAOYSA-N 396.443 2.975 0 40 GFAB CC(C)CC1(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)CCCC1 79070814 HRQFNTXVFDVZHG-HNNXBMFYSA-N 391.537 2.836 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 95976282 RPVSHQQJJCGEAL-BEFAXECRSA-N 394.475 2.761 0 40 GFAB c1ccc(CN2CCO[C@H](c3noc(-c4cccc(-n5cccn5)n4)n3)C2)cc1 95999108 PLNRLTZWJFGNOF-SFHVURJKSA-N 388.431 2.891 0 40 GFAB O=C1CCC(c2ccccc2)=NN1CN1CCN(CCOc2ccccc2)CC1 79492546 NJMNZBNDRLJSKZ-UHFFFAOYSA-N 392.503 2.667 0 40 GFAB C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Cn1cnc2ccccc21 542821298 GPVLZWVIRQTVAE-LJQANCHMSA-N 392.503 2.786 0 40 GFAB COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(O)n(C)c(C)cc1=O 1547208508 KXVNIPPUMOCLAR-MRXNPFEDSA-N 395.415 2.677 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 408598274 YRGPVEYBCOSYBM-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)ccc1OC 408697887 MGSAXYSQRWCTTK-UHFFFAOYSA-N 394.449 2.862 0 40 GFAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccn2)CC1 35314755 SLGHAFIJRMVEIA-UHFFFAOYSA-N 380.473 2.655 0 40 GFAB O=C(Cc1noc(C(=O)NCc2cccc(Cl)c2)n1)NCc1ccccc1 36357817 PRLXISASCCPGCB-UHFFFAOYSA-N 384.823 2.512 0 40 GFAB COc1ccc(OC)c(CN2CCN(C(=O)NCCc3ccccc3)CC2)c1 17115809 NQDDXUVTLNAZLY-UHFFFAOYSA-N 383.492 2.774 0 40 GFAB Cc1ccc(CNC(=O)Cc2cn3cccc(C)c3n2)c(O[C@H]2CCOC2)c1 531575460 UHDOEAQFEYPJMQ-IBGZPJMESA-N 379.460 2.978 0 40 GFAB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(C)c1O 33538483 OWRMAPHRJYRCGC-SXGWCWSVSA-N 383.379 2.680 0 40 GFAB Cc1ccccc1OCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 34870366 IVMNPPRTDTYPGV-UHFFFAOYSA-N 395.503 2.774 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1 219234847 ASZCZUSMIXXWGK-UHFFFAOYSA-N 392.503 2.813 0 40 GFAB Cc1nnc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)s1 36354136 SLKXKUMSLVBZGA-UHFFFAOYSA-N 381.508 2.633 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222460071 DVHDFQUMGTVSPV-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 40287430 SITMESKQNIDTSX-KRWDZBQOSA-N 385.851 2.569 0 40 GFAB O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccc(F)cc1 41089828 XQURAZZIMJLWFT-UHFFFAOYSA-N 380.404 2.887 0 40 GFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)s1 225199014 OWVSYKQVMRWXSQ-NSHDSACASA-N 381.479 2.826 0 40 GFAB COc1ccc(N(C)C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 226050223 WZPMEOZMHNWIGA-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccc(Br)o3)C2)n1 225497622 HSEYMAUXGZIWKG-SNVBAGLBSA-N 382.214 2.524 0 40 GFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC(=O)N2C)cc1 96182409 WOGHZYBVCCIFOZ-JTHBVZDNSA-N 391.515 2.859 0 40 GFAB COc1ccc(CN2C[C@@H]3CN(C(=O)CCc4cccnc4)C[C@H]3C2)cc1F 96245540 MCGKZBTZBNOGIT-RTBURBONSA-N 383.467 2.752 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)Nc1ccccc1F)C2 96238158 OFENBKPZXPFVJV-IBGZPJMESA-N 388.468 2.842 0 40 GFAB Cc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)nc(N)n1 257307466 SYSQUIUWFSYXPS-INIZCTEOSA-N 377.448 2.966 0 40 GFAB CN(C)S(=O)(=O)[C@@H]1CN(Cc2ccccc2C2CC2)C[C@H]1C(F)(F)F 585084486 FRTSHWFEXWQILZ-HZPDHXFCSA-N 376.444 2.818 0 40 GFAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)CN3CCCC3=O)o2)c1 257253539 JZICCMLAMHKQJJ-LJQANCHMSA-N 397.475 2.950 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccccc2)CO3)n1 257233965 GRNGDJHNMLCZRZ-HXUWFJFHSA-N 382.508 2.786 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 260841316 NHHPIORMJYSWSX-KGLIPLIRSA-N 394.468 2.866 0 40 GFAB CC(C)O[C@]1(Cn2nnnc2Cc2ccc(Br)cc2)CCOC1 657249332 KQCUOHFZUQAJEN-INIZCTEOSA-N 381.274 2.611 0 40 GFAB Cc1ccc([C@H]2CCN(S(=O)(=O)c3cnc(C4CC4)s3)[C@H]2C(=O)O)cc1 585098282 OMDVZGGMRVRWQV-GDBMZVCRSA-N 392.502 2.960 0 40 GFAB CC(C)(C)c1nn2c(SCC(=O)c3ccc(Cl)cc3)nnc2[nH]c1=O 5144268 AULHVHWJQQKEFE-UHFFFAOYSA-N 377.857 2.739 0 40 GFAB O=C1N[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5525120 FVUGRJYVDVXNIE-XEZPLFJOSA-N 399.756 2.839 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 12184940 SKVALCBKMQILHH-LBPRGKRZSA-N 394.357 2.548 0 40 GFAB O=C1N[C@@H](c2ccc(O)cc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 12377925 JIAMXIWSZJUDBV-HUBLWGQQSA-N 386.351 2.558 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NC(=O)NCc2ccccc2)c1 15518402 QSCMIKFVAKZFEL-LJQANCHMSA-N 397.475 2.867 0 40 GFAB COc1ccc(C)cc1CN1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 19133357 IRWHKPDCBAEALP-UHFFFAOYSA-N 391.475 2.924 0 40 GFAB COc1cccc(-c2nnn(CC(=O)N[C@H](C)c3ccc4c(c3)CCCO4)n2)c1 19458914 QHCCRFKEHKICFO-CQSZACIVSA-N 393.447 2.551 0 40 GFAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1 19588922 OOSHTLDRRMJUNK-HXUWFJFHSA-N 380.492 2.769 0 40 GFAB Cc1cc(C)cc(C2(C(=O)NC[C@H](C(C)C)N3CCOCC3)CCOCC2)c1 19662083 JWMKJNLJYPNEQW-OAQYLSRUSA-N 388.552 2.825 0 40 GFAB Cc1cnc(-c2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)no2)cn1 12187727 MAZBEHUGXJWXPA-HNNXBMFYSA-N 381.411 2.923 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2nn(C)cc2Cl)c1C 12159712 VMYQZJNZTLIITK-CQSZACIVSA-N 385.921 2.904 0 40 GFAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCCCO2 12366192 ICUIKSSJANPUBM-LJQANCHMSA-N 396.487 2.742 0 40 GFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)C3CCOCC3)CC2)C1 12365500 DDASBVDJXGGUKF-UHFFFAOYSA-N 386.492 2.524 0 40 GFAB COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NC[C@H]4CCCO4)C3)nn2)cc1 244947648 DUOONASBQCJNCJ-IEBWSBKVSA-N 396.491 2.664 0 40 GFAB Cc1nc(N)ncc1C(=O)N1CCC(c2nc3ccc(F)cc3cc2N)CC1 19552804 FOFPWAKCLRUKPN-UHFFFAOYSA-N 380.427 2.657 0 40 GFAB COc1cc(Cn2nnc3ccccc3c2=O)c(OC)cc1Br 6589898 CRDDZUUGTMMMLG-UHFFFAOYSA-N 376.210 2.620 0 40 GFAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 10384777 INMYINCGYWXUMU-LRDDRELGSA-N 394.518 2.596 0 40 GFAB O=C(C1CCOCC1)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888866760 HZCHFSXVTMKOPZ-OAHLLOKOSA-N 385.439 2.937 0 40 GFAB O=C(c1ccccc1Br)N1CCc2nc3ccccn3c(=O)c2C1 245187631 ZRLWILSZPKYKNV-UHFFFAOYSA-N 384.233 2.656 0 40 GFAB Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccccc5)c(C)cn34)n(C)c2=O)c1 4250525 UMHAJZATLLYIRY-UHFFFAOYSA-N 399.454 2.804 0 40 GFAB COc1cccc(N2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)c1 4497731 HHARFHICPUVWOZ-QGZVFWFLSA-N 396.468 2.932 0 40 GFAB Cc1cc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)no1 4583893 DELANNAMWKZRBO-UHFFFAOYSA-N 395.415 2.512 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)c1 7457974 ONYLNNDDGGECAN-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)CC1 11856492 LAWXITYBIDCDAM-UHFFFAOYSA-N 385.416 2.634 0 40 GFAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)c2ccsc2)CC1 2055751387 QUKQOHCRNNECEK-UHFFFAOYSA-N 387.505 2.598 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(C)cc2)N2CCCN32)c1 19166806 XYGKUGZWLMVTJR-AABGKKOBSA-N 377.444 2.539 0 40 GFAB COc1ccc(CCC(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 22794412 QMTHCEPPMQCAJZ-HXUWFJFHSA-N 387.549 2.794 0 40 GFAB Cc1cc(F)ccc1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O 49407156 DYLHXZNNGUVVOM-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB COc1ccc(CCS(=O)(=O)N2CC[C@@H](c3ccc4c(c3)CCO4)C2)cc1 585148970 NMEIVRHELQUXLB-LJQANCHMSA-N 387.501 2.992 0 40 GFAB Cc1nc2ccccc2nc1N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1 585604482 CALQIHVOVFSENO-UHFFFAOYSA-N 384.443 2.693 0 40 GFAB Cc1nccn1-c1cccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 2298064970 ABPTUJCSSGLADW-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O)cc2)cc1 13578982 RFLSQIHCIQPQJO-UHFFFAOYSA-N 384.388 2.594 0 40 GFAB c1csc(-c2nnc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c1 22877473 PNNAUCNIMONPCK-UHFFFAOYSA-N 384.461 2.845 0 40 GFAB O=C(c1ccccc1F)N1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 40067090 SAIWYQCTQZQTAY-YLJYHZDGSA-N 387.499 2.765 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)o1 30645469 YKBJKJPNDOKIEI-UHFFFAOYSA-N 377.447 2.872 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 28509204 AMKGYJCEZNZNNT-MRXNPFEDSA-N 393.534 2.631 0 40 GFAB CN1CCC(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)CC1 2787761 VESNTVDUVBHWAC-UHFFFAOYSA-N 393.285 2.506 0 40 GFAB O=C(COc1cccc([C@H]2CC(=O)Nc3ncnn32)c1)Nc1ccc(Cl)cc1 6321659 DRTWEUONTHQHOG-MRXNPFEDSA-N 397.822 2.881 0 40 GFAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 7055023 PJTRSBBTYILTLT-UHFFFAOYSA-N 380.491 2.662 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCc3ccccc32)cc1 7359079 KQXFPYOZOXNGPI-OAHLLOKOSA-N 387.505 2.763 0 40 GFAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccccc1Cl 7912373 HTSBXHWFJAESKR-ZDUSSCGKSA-N 394.903 2.757 0 40 GFAB O=C(CSc1ccc2ccccc2n1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 7920747 HNAURCQMFYOOMS-OAHLLOKOSA-N 376.503 2.505 0 40 GFAB Cn1ncc2c(N3CCCCC3)nc(N3CCN(Cc4ccccc4)CC3)nc21 20745041 SLQHAXDNYTVTDJ-UHFFFAOYSA-N 391.523 2.676 0 40 GFAB C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCO1 45890709 IDTIYSQQXKXRGW-XLIONFOSSA-N 382.460 2.771 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1 8412931 BBIKHGHNWIYOFY-UHFFFAOYSA-N 397.431 2.936 0 40 GFAB Cc1ccc(C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 10731321 UAHCULSFKKLSBP-GOSISDBHSA-N 393.505 2.500 0 40 GFAB CCOc1ccccc1OCC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 21740095 QUBAFXFGGYQXQR-UHFFFAOYSA-N 394.353 2.842 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCCC1 32910558 SGEXTCFCCHNCSY-LJQANCHMSA-N 388.508 2.904 0 40 GFAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCN(C)CC2)sc2c1CC[C@H](C)C2 22037159 WMFHFNDQFCIIRZ-KBPBESRZSA-N 393.553 2.624 0 40 GFAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)C[C@@H](C)O1 22299934 BZWJLWAPTWCDTN-VXGBXAGGSA-N 375.450 2.733 0 40 GFAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OC)cc1OC 2703005 QRCVBVJQOVSKST-MEBBXXQBSA-N 376.434 2.525 0 40 GFAB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670440 KJYWNIJDMWPQEF-WOJBJXKFSA-N 384.528 2.906 0 40 GFAB O=S(=O)(N1CCc2ccccc2C1)N1CCO[C@@H](c2ccc(F)cc2)C1 23058174 UGNFTWOLRUUFPP-LJQANCHMSA-N 376.453 2.502 0 40 GFAB CC(C)CNC(=O)c1ccccc1NC(=O)CCn1ncc(=O)c2ccccc21 52936741 AVIOPXSCVBFJIB-UHFFFAOYSA-N 392.459 2.811 0 40 GFAB O=C(CN1CCN(C(=O)COc2ccccc2)CC1)Nc1ccccc1Cl 34870322 FAESATHXVWZNPC-UHFFFAOYSA-N 387.867 2.502 0 40 GFAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1COc2ccccc2O1 8129862 RVRHMKYWUBPMOY-IBGZPJMESA-N 393.443 2.892 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22772460 YVCOMEAUFYEZHF-INIZCTEOSA-N 397.475 2.569 0 40 GFAB Cc1cc(C)c(OS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 24251040 XTSQKXROCGXAOB-UHFFFAOYSA-N 383.491 2.630 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 20483836 SAZQULKVGNMCEV-UHFFFAOYSA-N 381.476 2.909 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(=O)[nH]c2ccccc12 12526475 WZAYNNXHPPZUCO-UHFFFAOYSA-N 377.444 2.637 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1C 58015740 YKRUYBIXEFOHRT-UHFFFAOYSA-N 385.445 2.850 0 40 GFAB CC[C@H](C(=O)Nc1cccc(OC)c1)n1ncc(-c2ccc(OC)cc2)nc1=O 44804319 BVPULTOJFDOXRB-LJQANCHMSA-N 394.431 2.912 0 40 GFAB Cc1occc1C(=O)NCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58209119 QYSOLWOFXRULEA-CQSZACIVSA-N 375.856 2.614 0 40 GFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1ccccn1 12551565 OORBFPAPXWFZBU-KRWDZBQOSA-N 391.924 2.945 0 40 GFAB O=c1c2ccsc2ncn1CCS(=O)(=O)c1ccc(Br)cc1 10620518 PUMCMUGLHYUHFP-UHFFFAOYSA-N 399.291 2.694 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 10601276 CDSWBYCOFGPSBB-UHFFFAOYSA-N 386.429 2.506 0 40 GFAB O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12745183 WHGSFEXYFLSUKG-UHFFFAOYSA-N 396.468 2.692 0 40 GFAB O=C1COc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2N1 12980637 PZHPMOKEYSQQQC-LLVKDONJSA-N 385.807 2.663 0 40 GFAB Cc1cc(C)cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 16964329 HPODVGKMCFWEIR-FQEVSTJZSA-N 380.444 2.570 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCc2ccncc2)c1 5200869 YFUKJPOAKFYKPE-UHFFFAOYSA-N 382.869 2.775 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N(C)Cc1ccccc1 4462690 ZUPCECXRHYCGDD-CYBMUJFWSA-N 384.457 2.935 0 40 GFAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 14242831 DVRXMYAHJWHBMW-GFCCVEGCSA-N 388.445 2.689 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1C 408606324 OVSYAKOYYHHHQL-UHFFFAOYSA-N 396.896 2.503 0 40 GFAB Cc1cc(N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)nc(C(C)C)n1 66042470 KIFODUITEIHTKX-UHFFFAOYSA-N 376.407 2.855 0 40 GFAB CC(C)(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 23732679 SFVYFZSKNMVCJM-UHFFFAOYSA-N 387.505 2.841 0 40 GFAB Cc1cnc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cn1 6654067 AGMLWYWSXOQJMZ-QGZVFWFLSA-N 382.464 2.662 0 40 GFAB O=C(COc1cccc(-n2cnnn2)c1)N1CCC(Cc2ccccc2)CC1 5673463 RCBGMYIOKCPQKP-UHFFFAOYSA-N 377.448 2.522 0 40 GFAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1 6728373 OCNYVHVHNRAMMF-OAHLLOKOSA-N 376.478 2.556 0 40 GFAB Cc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 19863996 WIIAKJDQWGCZOG-RTWAWAEBSA-N 384.476 2.545 0 40 GFAB C[C@H](CCCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1nnc2n1CCCC2 95968701 DAACJUKNEOYBAJ-HUUCEWRRSA-N 381.480 2.730 0 40 GFAB O=C(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(OCc2cccs2)cc1 95991304 CCQLWWNCRDXJNY-QGZVFWFLSA-N 389.473 2.979 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 28209475 MPYZHQAFXNAHLZ-SFHVURJKSA-N 386.473 2.930 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(F)c1 408622998 OLZUWBQOESVAEN-JTQLQIEISA-N 386.832 2.793 0 40 GFAB COc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 408707723 CWVZNYFOENGXTI-UHFFFAOYSA-N 395.459 2.623 0 40 GFAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@H](C)O[C@@H](C)C1)C2=O 39544510 CXHJGYJHZWYTQK-WVSLAOEZSA-N 393.528 2.539 0 40 GFAB CCc1c(C)nc2s/c(=C\c3c(C)n(C)c4c(C)cccc34)c(=O)n2c1=O 409033435 LUTYXHYEIIGLLN-YVLHZVERSA-N 379.485 2.643 0 40 GFAB O=C1NCCc2c(NC(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)cccc21 520547246 YFACMLZEVBQFLQ-HDICACEKSA-N 390.487 2.568 0 40 GFAB CC(C)OCCCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)O)c1 217646276 ZLIXFRHQSFUGGJ-UHFFFAOYSA-N 396.465 2.683 0 40 GFAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1F 70640210 SAXQCRAYKKAVPU-AWEZNQCLSA-N 388.292 2.772 0 40 GFAB COc1cc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c(OC)c2c1OCO2 35326223 RQXVDJSAWUOHJO-NSHDSACASA-N 396.351 2.980 0 40 GFAB CC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccccn1 35291588 VJDYLVMHZQHUMK-IUODEOHRSA-N 375.498 2.830 0 40 GFAB COc1cccc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)c(=O)oc12 70928740 NFDKIYKOHTWIKY-UHFFFAOYSA-N 393.443 2.843 0 40 GFAB COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 44885338 NUBAFSIPPGIXRA-UHFFFAOYSA-N 388.489 2.551 0 40 GFAB CCOc1ccccc1S(=O)(=O)NCC1CCN(c2cccnc2)CC1 225655932 KUDFUAQUSCZKKG-UHFFFAOYSA-N 375.494 2.675 0 40 GFAB COc1ccc(NC(=O)C2(C)COC(c3ccc(OC)c(OC)c3)OC2)cn1 225918274 QJGXBGKSTCRNLZ-UHFFFAOYSA-N 388.420 2.798 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(C)(=O)=O 44847092 TWJQXBHGSSKGQH-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB Cc1cccc(CCCNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 220092330 WMHZGNQQSTWMJT-UHFFFAOYSA-N 396.459 2.788 0 40 GFAB CNC(=O)[C@@H]1CCCN(c2nc3c(-c4ccccc4C)csc3c(=O)[nH]2)C1 49421404 ISOZWPWRXORSNA-CYBMUJFWSA-N 382.489 2.922 0 40 GFAB Cc1ccc(N2C[C@@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)CC2=O)cc1 96238471 OFPQTZAMMSCPKH-FQEVSTJZSA-N 388.464 2.952 0 40 GFAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC(=O)N2C)cc1 96182410 WOGHZYBVCCIFOZ-GMAHTHKFSA-N 391.515 2.859 0 40 GFAB CCn1ccc(NC(=O)C[C@H]2CCCN(C(=O)c3cnc(C(C)C)nc3)C2)n1 257269361 MPQLMASJRMEXMB-OAHLLOKOSA-N 384.484 2.697 0 40 GFAB Cn1cncc1-c1nccnc1C[C@H]1CCCN(C(=O)Cc2cccs2)C1 257260273 LCBYSHVXKPTVPD-OAHLLOKOSA-N 381.505 2.962 0 40 GFAB CNCC(=O)N1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 257258783 KVNKGXXEQGRNIQ-UHFFFAOYSA-N 398.482 2.864 0 40 GFAB Nc1cc(C(F)(F)F)ccc1C(=O)NCCCN1C(=O)COc2ccccc21 1634851018 DDTSBGNYECQLTN-UHFFFAOYSA-N 393.365 2.833 0 40 GFAB CC(C)(CNC(=O)N[C@@H]1CCO[C@H]1c1cccnc1)c1ccc2c(c1)OCO2 623096487 SOAGBFZKUSDEGQ-APWZRJJASA-N 383.448 2.917 0 40 GFAB O=C(Cc1c[nH]c2cnccc12)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1117869797 HDSQMIZGDVKSJD-MRXNPFEDSA-N 386.814 2.820 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(OC)c4)CC3)[C@H]2C1 585106187 AXTIDFVLJACFFE-DBVUQKKJSA-N 399.535 2.536 0 40 GFAB Cc1ccccc1-c1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)[C@@H](C)O3)s1 1615591931 PFLKACUJLMRBDL-CQSZACIVSA-N 385.489 2.894 0 40 GFAB CCOc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Nc2ccccc2F)cc1 5000191 VJALGMCAAXBZTK-KBXCAEBGSA-N 387.411 2.830 0 40 GFAB Cc1ccc(=O)n(CC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 12228246 XSXOTNUYPOTTPV-OAHLLOKOSA-N 388.518 2.787 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)cnc21 12746331 CKGGKLUODZZUAB-IYBDPMFKSA-N 383.452 2.516 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 12941122 LAKDLQCPELNYKS-LBPRGKRZSA-N 391.449 2.859 0 40 GFAB COCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 15437665 DBDAVLQATKJDHY-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB Cc1ccc(-c2nnc([C@@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)cn1 19215186 UMFDGOBTPKFNQS-CQSZACIVSA-N 388.424 2.757 0 40 GFAB COc1ccccc1CC(=O)N[C@H](c1cc(=O)[nH]c(-c2ccncc2)n1)C(C)C 19445735 CPHSSBUCQQZIGZ-NRFANRHFSA-N 392.459 2.897 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cnn(C(C)C)c1)C2 19454930 WUHSAOSXYRTNKS-LJQANCHMSA-N 396.495 2.526 0 40 GFAB COCC(=O)N1CC[C@@H](c2ccc3c(NCc4ccccc4OC)n[nH]c3n2)C1 19705044 ZUUWHFGWYHWAKL-OAHLLOKOSA-N 395.463 2.541 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929746 MWYZRCDXNVMJKA-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB C[C@H](C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1)N1CCCCC1 12219679 UUQDGKCVFRMPJC-MRXNPFEDSA-N 395.507 2.825 0 40 GFAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCc3cccnc3)n2)c1 12222687 UZCKLGQMVSULMO-ZWKOTPCHSA-N 377.448 2.669 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 16639293 AUMNLIGRANNOHM-UHFFFAOYSA-N 382.869 2.828 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(I)cc1 100057546 BMJVLFNSTCZFLG-QLKXBERHSA-N 391.208 2.849 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]2O1 1565550211 UPTWNHQPHDBLTC-USKVXJDGSA-N 397.519 2.792 0 40 GFAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)cc1 4328061 VRLNGAQFQFKHJG-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)cc1OC 7455510 BSYCNIKOUOZNMC-UHFFFAOYSA-N 381.388 2.511 0 40 GFAB CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c(O)n2n1 22855222 GFMMMTRHVPSSLF-HNNXBMFYSA-N 394.447 2.883 0 40 GFAB COc1cc(C(=O)N2CCc3nc4ncccc4cc3C2)cc(OC)c1OC 1891154968 GXQSLNLCPRAMQJ-UHFFFAOYSA-N 379.416 2.854 0 40 GFAB Cc1cc(OC2CN(C(=O)Cc3ccc(Br)cc3)C2)cc(=O)o1 206959727 HXQBLNMADNEIRO-UHFFFAOYSA-N 378.222 2.543 0 40 GFAB C[C@@H](C(=O)N1CCc2nc3ncc(Br)cc3cc2C1)n1cccn1 2298075470 HRIBAWWCFNXMON-NSHDSACASA-N 386.253 2.735 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 40154842 ZFVBZMKKWYGYLL-LBPRGKRZSA-N 390.386 2.798 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 2644013 WYEULLVEDAYKCK-JOCHJYFZSA-N 397.450 2.732 0 40 GFAB Cc1cc(C)n(-c2ccc(Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)cc2)n1 32815477 RCPBJJOTCMUXSA-UHFFFAOYSA-N 390.365 2.817 0 40 GFAB CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1 32831071 SBIBUVMYARZBDO-UHFFFAOYSA-N 393.465 2.572 0 40 GFAB COCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1C(C)C 4861106 UIIRLLIJHNEJPC-UHFFFAOYSA-N 376.482 2.981 0 40 GFAB Cc1ccc(NC(=O)COc2ccccc2[C@@H]2CC(=O)Nc3ncnn32)cc1C 6205680 IDOHHBCTLNMRLS-KRWDZBQOSA-N 391.431 2.844 0 40 GFAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 6264303 HCEAKIKVACDQQZ-VOQZNFBZSA-N 390.524 2.985 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 7054497 LNFPUTIFKCNNSP-UHFFFAOYSA-N 382.507 2.908 0 40 GFAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 7683884 LQTGABABPUMYAG-UHFFFAOYSA-N 392.477 2.873 0 40 GFAB CCC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10325330 PTOPKWSVTXXUJP-NEPJUHHUSA-N 376.906 2.808 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3cc4c(s3)CCC4)ccc21 21995343 QRIYASIWUYVQAI-UHFFFAOYSA-N 384.457 2.941 0 40 GFAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 8167302 OLGJNRMLVWGWGW-UHFFFAOYSA-N 376.400 2.505 0 40 GFAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccnc2)cc1 8683173 OAKSSCDYYYXHCS-UNOMPAQXSA-N 377.400 2.771 0 40 GFAB O=S(=O)(N1CC=C(c2c[nH]c3ncccc23)CC1)N1CCc2ccccc2C1 22960181 MBVKXDPGJXCWES-UHFFFAOYSA-N 394.500 2.955 0 40 GFAB COc1cc(Cl)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1OC 23054228 MTJRQWSZKPFIBI-UHFFFAOYSA-N 395.843 2.550 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 9828187 MUHHKAPKQYZUSG-UHFFFAOYSA-N 396.852 2.614 0 40 GFAB COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(c4ccccc4Cl)NN32)cc1 940706 VCHPIZHKEUCPIF-KRWDZBQOSA-N 395.850 2.786 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)ccc1F 42792451 DWGSJPDRYCHVLD-UHFFFAOYSA-N 394.302 2.661 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 27845423 XUZXULDHOZLFPL-STQMWFEESA-N 378.416 2.504 0 40 GFAB O=C1NCCN1[C@@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 92188454 MTMXKHKFRXXUAQ-MRXNPFEDSA-N 393.413 2.881 0 40 GFAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4CC4CC4)nn3c(O)c2C1 100233917 ZPBQWRSWCFIBIJ-LJQANCHMSA-N 395.507 2.667 0 40 GFAB c1cncc(CN2CNC3=N[C@H](c4cccnc4)n4c(nc5ccccc54)N3C2)c1 20638686 SRBBADCUSHHTFB-FQEVSTJZSA-N 396.458 2.570 0 40 GFAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1C 12539082 RELUQXVIOCQQGV-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 23176088 VOAYMCNNKZCHLH-LJQANCHMSA-N 391.431 2.696 0 40 GFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)c2ccccc2)c1 3264102 LOOFDNJSRWTBGO-UHFFFAOYSA-N 382.445 2.797 0 40 GFAB CCOc1ccc(-n2c(SC[C@@H]3CNC(=O)O3)nc3ccccc3c2=O)cc1 23055075 FOWICHAUJNPVKX-HNNXBMFYSA-N 397.456 2.985 0 40 GFAB Cc1ccc(-n2c(O)c([C@H]3OCc4cnc(C)c(O)c43)c(=O)[nH]c2=S)cc1 2146257 BCQKLBNVTRWDCM-INIZCTEOSA-N 383.429 2.938 0 40 GFAB biogenic O=C(NC[C@H]1COc2ccccc2O1)N1CCC([C@@H](O)c2ccccc2)CC1 48261130 GBSXQXVLPCAOAG-RXVVDRJESA-N 382.460 2.982 0 40 GFAB CN1C(=O)c2ccc(NC(=O)CN(Cc3ccc(F)cc3F)C3CC3)cc2C1=O 48356090 JMCCGNBYKHKMNU-UHFFFAOYSA-N 399.397 2.794 0 40 GFAB C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O 48331975 QMODLOBIQGPKEI-PIGZYNQJSA-N 399.230 2.793 0 40 GFAB COC(=O)CCS[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12983043 FMLNSVFXIUJZQV-VIFPVBQESA-N 390.383 2.675 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NCc3nc4ccccc4s3)CC2=O)c1 13015406 DEKLYVZKINKZQO-ZDUSSCGKSA-N 381.457 2.974 0 40 GFAB COc1ccc(CC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cc1OC 13116041 IFIQFMKAQWLYGZ-UHFFFAOYSA-N 395.419 2.501 0 40 GFAB CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 92734158 VFMOBCLUEJYXQS-HXUWFJFHSA-N 386.584 2.955 0 40 GFAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 39570205 HDORKSUOOKCOHG-UHFFFAOYSA-N 375.444 2.819 0 40 GFAB COc1cccc(-c2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)c1 13726623 FMEVCEATSUXKMO-UHFFFAOYSA-N 395.488 2.500 0 40 GFAB COC(=O)[C@@H](C)Sc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12 5151344 SLGGMIYIINSPNE-SECBINFHSA-N 388.840 2.770 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC=C(c2ccccc2)CC1 14197217 ORDDRQDRUSIJRF-HNNXBMFYSA-N 388.464 2.808 0 40 GFAB O=C(NCc1ccccn1)[C@@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O 9096551 ZHSFWMNEVQYMAZ-GOSISDBHSA-N 381.819 2.637 0 40 GFAB COc1ccc(C2(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)CCOCC2)cc1 5483255 FLRZQPHIMUUMAT-HXUWFJFHSA-N 394.471 2.907 0 40 GFAB COc1ccccc1CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 5459675 GMJLARMKCJQKMT-UHFFFAOYSA-N 382.441 2.674 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 6678878 LAMZHHABULBPQR-UHFFFAOYSA-N 397.378 2.902 0 40 GFAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)(C)C)ccc2OC)C1=O 6620119 XBRRYMLNHZGQNV-UHFFFAOYSA-N 389.452 2.522 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1C 6842027 IEEBJHQREVHMML-NRFANRHFSA-N 381.432 2.792 0 40 GFAB COc1cccc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 6810898 KLWWKQVZXHOQJF-QGZVFWFLSA-N 377.437 2.664 0 40 GFAB COCc1cc(C)nc2sc(-c3nc(N)nc(N4CCCCC4)n3)c(N)c12 15107905 ZWCLVZUMGSJBOF-UHFFFAOYSA-N 385.497 2.758 0 40 GFAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 6975439 WCWDGLDVLRFEJG-SECBINFHSA-N 398.535 2.847 0 40 GFAB NC(=O)C1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 7459258 IVPMMKMNGKVFFW-UHFFFAOYSA-N 375.488 2.684 0 40 GFAB CCOC(=O)[C@@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)C1 15910904 GHWYGYNCWPWNON-QWHCGFSZSA-N 389.521 2.885 0 40 GFAB C[C@@H](OC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)c1c[nH]c2ccccc12 7818412 XEUUABXDPWOTDD-ACJLOTCBSA-N 379.416 2.562 0 40 GFAB Cc1ccc(OCC(=O)N(C)CC(=O)NCc2ccco2)c(Br)c1 7978214 PPGXUSRQAQNDKM-UHFFFAOYSA-N 395.253 2.504 0 40 GFAB Cc1ccc(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1 72001078 HJOPTEMEALIFNS-UHFFFAOYSA-N 386.473 2.991 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)c1 96814867 GTLUHMULVRGIAY-MHWRWJLKSA-N 390.848 2.935 0 40 GFAB CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)C1 79020881 ZVLKRPODUJQCEA-QGZVFWFLSA-N 381.476 2.871 0 40 GFAB Cn1cc(Br)c(=O)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1 95468582 GSRAXVHXWFZLIC-UHFFFAOYSA-N 395.637 2.741 0 40 GFAB Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ccc4nnc(C)n4n3)C2)cc1 95959195 VRUWLIBHGNWADK-MRXNPFEDSA-N 379.468 2.779 0 40 GFAB Cn1ccc(C(=O)N2Cc3ccccc3[C@@H](c3nccn3Cc3cccnc3)C2)n1 306125776 DBXVIDCTTZYBGT-FQEVSTJZSA-N 398.470 2.848 0 40 GFAB CCOC(=O)CN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 4483696 JLBQWQDMGKGPFW-UHFFFAOYSA-N 392.408 2.520 0 40 GFAB O=S(=O)(NCCN1CCN(c2ccccc2F)CC1)c1ccccc1Cl 56997668 LAYNCSFTMLCAED-UHFFFAOYSA-N 397.903 2.580 0 40 GFAB Cc1ccc(F)cc1NC(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 62006721 ZXAROGSPWYSKSY-UHFFFAOYSA-N 385.786 2.784 0 40 GFAB Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)cc(-n2ccnc2)n1 35598137 XUJSSVQVRIXZBL-UHFFFAOYSA-N 395.442 2.772 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 40428063 BTCFYBGAGRFWHK-GOSISDBHSA-N 381.451 2.523 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)C(C)C 225206041 SIGHNDCOCKEWOI-HNNXBMFYSA-N 382.526 2.890 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1Cl 224068665 PCYJBBWMTUMDHI-UHFFFAOYSA-N 392.908 2.687 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 225822580 RIRQUGPSFHZPAI-UHFFFAOYSA-N 377.384 2.855 0 40 GFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894110 QYHFEPVLBGYTQM-RTBURBONSA-N 385.552 2.989 0 40 GFAB Cc1nc(NC(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)sc1C 40267321 NAOKKBUCVIAVRT-UHFFFAOYSA-N 387.509 2.613 0 40 GFAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ncccc4C)C[C@H]3F)nc2c1 96112393 RJNNNJXEXAITIC-BEFAXECRSA-N 398.438 2.792 0 40 GFAB biogenic,in-vitro CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)Cc3ccc(N(C)C)cc3)[C@H]2C1 96156983 MNLOYRXVFJDORN-FUDKSRODSA-N 377.488 2.728 0 40 GFAB COC1(c2nc(-c3cnccn3)no2)CCN(Cc2ncc(C(C)(C)C)o2)CC1 583615979 ZDNBXNBCNYSVKH-UHFFFAOYSA-N 398.467 2.950 0 40 GFAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 257231952 GIUZAPSXUQHAEG-KRWDZBQOSA-N 397.523 2.871 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)c1F 253473100 RKDSQQRUVMMWGV-QGZVFWFLSA-N 395.438 2.716 0 40 GFAB CC(C)CN1C(=O)C2(CCN(CC(=O)O)CC2)C[C@@H]1Cc1cccc(F)c1 257245551 IQBPFGXPNDJNQH-SFHVURJKSA-N 376.472 2.792 0 40 GFAB CCOc1ccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4)CC3)n2)cc1 256048723 VSNYSRSZTSYZCW-UHFFFAOYSA-N 393.447 2.691 0 40 GFAB CCO[C@@H](CS(=O)(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21)C1CC1 625262480 DLDLLVJLDUQGRT-SXLOBPIMSA-N 378.538 2.748 0 40 GFAB O=C(N1CC[C@@H](N2CC[C@H](O)C2)C1)C1(c2cccc(OC(F)(F)F)c2)CCC1 627270674 KZMAKYIXYSVZIN-CVEARBPZSA-N 398.425 2.674 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@H](C(=O)O)C1CCCC1 663080743 WTNXIWFYLIWDQC-QGZVFWFLSA-N 396.871 2.993 0 40 GFAB C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCN(S(=O)(=O)N(C)C)CC1 685409801 LAAFXKHBKZCBBV-SDNWHVSQSA-N 391.459 2.533 0 40 GFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)OCCO)cc1 96338054 MREVORLWZRLECN-QGZVFWFLSA-N 387.860 2.816 0 40 GFAB C[C@@H]1CCCN(C[C@@H]2CC3(CCN(S(=O)(=O)c4ccccc4)CC3)CO2)C1 585103099 DAUUMTSXCGXEHK-MOPGFXCFSA-N 392.565 2.978 0 40 GFAB CCN1CCN(C(=O)CNC)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183600 LXKNURZIWQQPRV-OAQYLSRUSA-N 393.531 2.731 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2F)C[C@@H](C)O1 58406720 OTHDCVHMAWRSMD-OKILXGFUSA-N 391.468 2.804 0 40 GFAB O=C1N(c2ccccc2)N=C2c3ccncc3C3=NN(c4ccccc4)C(=O)[C@]123 5833473 KLNSLIOAJTXPNY-JOCHJYFZSA-N 379.379 2.583 0 40 GFAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)C1 12157942 ROWWRESUKADIAD-MSOLQXFVSA-N 399.491 2.947 0 40 GFAB O=C(NCCS(=O)(=O)NC1CCCCC1)c1ccnc2ccc(Cl)cc12 12198729 NGGGZXDIQOYODA-UHFFFAOYSA-N 395.912 2.870 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c1 16083293 IZRABCYPVWPTCC-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 19078794 BJYDGOBOSGTUJJ-QRWLVFNGSA-N 396.491 2.604 0 40 GFAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(C)cc2)N2CCCN32)cc1 19169587 PMGMAXXAGFTQNO-NJYVYQBISA-N 391.471 2.929 0 40 GFAB CN(CC(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1)C(=O)c1ccco1 19585934 BLKDMGATTJJQAN-UHFFFAOYSA-N 395.503 2.664 0 40 GFAB CN1CCc2nc([C@@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 19590336 OUDRCGKXRVVLGI-IBGZPJMESA-N 380.492 2.963 0 40 GFAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)CCc3ccno3)nn2c1O 12161877 JDWVXSHNBJUVQQ-KRWDZBQOSA-N 383.452 2.980 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)Cc3ccc(F)cc3)CC1)CNC2=O 12225948 LRDUSPCHIWFMPT-UHFFFAOYSA-N 398.434 2.560 0 40 GFAB COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@H]43 247920395 GWYVXPNMQFBXRS-JHVSNHCVSA-N 380.488 2.871 0 40 GFAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)COC(=O)c2cc(Cl)c(N)cc2OC)c1 3229290 FTPFYQJJONHBQU-UHFFFAOYSA-N 394.811 2.744 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)COc2ccc(F)cc2)CC1 1848806605 SQOLKAUYFZGTFP-UHFFFAOYSA-N 378.835 2.775 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)/N=c1\sccn1Cc1ccccc1F 26385580 HVYSRCSURZODMK-XDOYNYLZSA-N 394.431 2.644 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912677 UIFMRISZVQFYAO-LJQANCHMSA-N 397.443 2.950 0 40 GFAB Cc1n[nH]c(C)c1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988928 NRBKPTADUSECRF-OAQYLSRUSA-N 386.471 2.954 0 40 GFAB Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)NC[C@@H]2CCCO2)cc1 1020516 ODQMWHHXLIWCGB-INIZCTEOSA-N 387.505 2.864 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCc2ccccc21 4326887 XAZLJSFFAYMSIE-UHFFFAOYSA-N 388.456 2.868 0 40 GFAB CCCn1cc(C(=O)Nc2nnc(C)s2)c2nn(-c3ccccc3)c(=O)c-2c1 10062682 PCMBKAUASKUWBW-UHFFFAOYSA-N 394.460 2.961 0 40 GFAB O=C(N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1)C(F)(F)F 16890159 QMCKRVKLTGUCPH-SNVBAGLBSA-N 384.173 2.655 0 40 GFAB COc1ccc(CCC(=O)Nc2cc3c(cc2C)N(C)S(=O)(=O)N3C)cc1 575612805 OEBBSNNKENWKIQ-UHFFFAOYSA-N 389.477 2.706 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CC[C@H](n4cnc5ccccc54)C3)ccc2N1 585149349 RWZSJZJBGKNNCI-HNNXBMFYSA-N 396.472 2.557 0 40 GFAB O=C(CSC1CCCC1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440918 UUKNLWCFSCNMTP-GFCCVEGCSA-N 386.315 2.895 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1C 575612001 JRMURNUBOSNMNO-OAQYLSRUSA-N 389.517 2.896 0 40 GFAB C=CCn1c(O)c(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccccc21 5910253 WNPMFJQAXYHLGM-UHFFFAOYSA-N 378.384 2.932 0 40 GFAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cn2)C[C@H](C)O1 30038028 ZCKVZCWIDNKTCI-HOTGVXAUSA-N 381.480 2.943 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@H](c1ccccc1)N1CCCC1 40062717 CTFVMPFARLQMKD-OAQYLSRUSA-N 393.487 2.903 0 40 GFAB COC(=O)c1cc(NC(=O)CCNC(=O)Nc2ccccc2)c(F)cc1F 40050923 ZQLPASSIZITBHW-UHFFFAOYSA-N 377.347 2.902 0 40 GFAB O=C1N[C@H](C(=O)NCc2cc(F)cc(F)c2)CS[C@H]1Cc1ccccc1F 30482380 CWJJEKUGGQAAMI-IRXDYDNUSA-N 394.418 2.563 0 40 GFAB Cc1cc(C(=O)NC2=NS(=O)(=O)c3ccccc32)c(C)n1CC(F)(F)F 40157181 KFZLSKXIGYOMCS-UHFFFAOYSA-N 385.367 2.546 0 40 GFAB CN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccccc1 51316658 RGZBDMNBBAJWGE-UHFFFAOYSA-N 391.456 2.864 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1 20902685 IFEHISDPHRZVOY-AWEZNQCLSA-N 378.856 2.882 0 40 GFAB COc1cc2c(c(-c3c(O)c(OC)cc4c3CN(C)CC4)c1O)CN(C)CC2 1719347 IGKVQCQCYJDVAM-UHFFFAOYSA-N 384.476 2.758 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(Cc3csc(C)n3)CC2)cc1 32761106 GPBRTLGGWOPOTA-CQSZACIVSA-N 386.521 2.799 0 40 GFAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N(C)[C@@H]1CCCc2ccccc21 52415906 ATNARIBGIDVYPZ-GOSISDBHSA-N 376.478 2.742 0 40 GFAB CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 32826975 BJHAEIYAMHTERO-UHFFFAOYSA-N 384.524 2.801 0 40 GFAB CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C1CCCCC1 4852472 TYQZUHHMOBBXRO-UHFFFAOYSA-N 376.482 2.708 0 40 GFAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)s1 6681082 XQVRRCVIAZIZPS-UHFFFAOYSA-N 394.503 2.985 0 40 GFAB COc1ccc(CN(C)C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 7871807 ARDJQNSNMXXFJD-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB COc1ccc(S(=O)(=O)NCCN2c3ccccc3CC[C@H]2C)cc1OC 32934543 UALWGYNMWUBBDP-OAHLLOKOSA-N 390.505 2.823 0 40 GFAB COC(=O)Cn1cnc2c(oc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c1=O 12324487 PINHHPBRXUNOMW-UHFFFAOYSA-N 399.447 2.761 0 40 GFAB O=C(CCc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53677537 ZXEMXCIQOARBBG-UHFFFAOYSA-N 376.453 2.515 0 40 GFAB COc1ccc(-c2nnc([C@H](C)OC(=O)CSc3cccc[n+]3[O-])o2)cc1 22761812 UJFRZDMHXBMHQF-LBPRGKRZSA-N 387.417 2.775 0 40 GFAB C[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cc2ccccc2o1 23082234 GCOKRCGCVWMNNX-AWEZNQCLSA-N 390.447 2.964 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 805380 CCEFDCKNOPIXFU-UHFFFAOYSA-N 391.445 2.986 0 40 GFAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2nc[nH]n2)cc1OC 23141130 QSRKPGDDZSVGHO-UHFFFAOYSA-N 390.403 2.927 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3ccccc3)CC2)c1 12516169 YLSOZXAKSJZNJJ-UHFFFAOYSA-N 380.448 2.566 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCN(c2ncccn2)CC1 23387223 LQKCJZWZAUWDEY-LJQANCHMSA-N 384.524 2.644 0 40 GFAB COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)n2)c1 23873185 KJQGODXJNWJJFY-HXUWFJFHSA-N 378.388 2.712 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)cc1F 26257964 CGZNYNQMTBHSRL-AWEZNQCLSA-N 380.423 2.722 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)N(CC)c2cccc(C)c2)c1=O 57478819 BVRAYOQZFXEYSG-UHFFFAOYSA-N 385.489 2.996 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 25653883 FHMLXMIQUALSNE-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB CN1CCN(c2ccc(NC(=O)CCCn3c(=O)oc4ccccc43)cc2)CC1 12633905 VEMLOWPKCXIUGK-UHFFFAOYSA-N 394.475 2.765 0 40 GFAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCCc2ccccc21 10022539 NQKJYYFYRFHABX-UHFFFAOYSA-N 390.487 2.946 0 40 GFAB CCCCCCn1c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=O 20411170 XDMUQFJGTSLWGY-GOSISDBHSA-N 382.464 2.539 0 40 GFAB biogenic OC[C@@H](O)CN(CCC(F)(F)F)Cc1coc(-c2ccc(F)c(F)c2)n1 79058680 VHRRHUXHCJBSJF-LBPRGKRZSA-N 380.313 2.727 0 40 GFAB CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2120036 FIKUITCVMVMMMP-AWEZNQCLSA-N 389.429 2.631 0 40 GFAB biogenic Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 28609514 MMOLLZGVIBVYNR-INIZCTEOSA-N 384.407 2.665 0 40 GFAB C[C@@H](NCCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Cl 12794521 OHONVWJWFLIXJZ-CYBMUJFWSA-N 392.887 2.667 0 40 GFAB Cc1cc(C)cc(OS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 12782535 IMLPJAJMOHUNFU-UHFFFAOYSA-N 381.475 2.512 0 40 GFAB Cc1c(NC(=O)COC(=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 3313036 VPQHFISODCGVQC-UHFFFAOYSA-N 399.834 2.933 0 40 GFAB CC(C)Cn1nnnc1SCc1nnnn1-c1ccc(C(F)(F)F)cc1 48355104 VFNQNDOUBKDWRO-UHFFFAOYSA-N 384.391 2.616 0 40 GFAB CCOC(=O)CCN(CC1CC1)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 48323964 IUDFNAJTEUOKHL-HNNXBMFYSA-N 392.883 2.885 0 40 GFAB CCNC(=O)COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C)c1 48356329 BZKGLGBSZRMWRX-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccs3)CC2)cc1 12874869 VPKHLECQGFOQHK-UHFFFAOYSA-N 378.519 2.569 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(Cl)c1 3594878 DYRCLMOFUCYLKN-HXUWFJFHSA-N 383.835 2.980 0 40 GFAB O=C1Cc2cc(S(=O)(=O)N(Cc3cccs3)C[C@@H]3CCCO3)ccc2N1 12945918 CUKNWTBHURFJIH-AWEZNQCLSA-N 392.502 2.613 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(-n2cncn2)cc1 12901669 PFEGEIJXFWPQNN-LBPRGKRZSA-N 379.445 2.803 0 40 GFAB O=C(NCc1coc(-c2cccs2)n1)NCc1cccnc1N1CCOCC1 12984094 QVHAOAWABDQWTB-UHFFFAOYSA-N 399.476 2.634 0 40 GFAB CN(C)C(=O)CNC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 8779902 WZTMXZGAYCKVSJ-UHFFFAOYSA-N 395.488 2.670 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 4082432 KFOYJAKVDLEHOB-UHFFFAOYSA-N 383.448 2.625 0 40 GFAB O=C(O)c1cccc(CN2C(=O)S[C@@H](Nc3cccc(C(=O)O)c3)C2=O)c1 4151299 SABYDKWDIASRAF-CQSZACIVSA-N 386.385 2.717 0 40 GFAB C[C@H]1CCc2c(sc3nnn(CC(=O)N[C@H](C)c4ccccc4)c(=O)c23)C1 5009847 RMEKNIYTVIZPIF-QWHCGFSZSA-N 382.489 2.855 0 40 GFAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 4270558 AGHKXFQVJVXMLV-UHFFFAOYSA-N 376.434 2.908 0 40 GFAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C(=O)O)cc1 5158290 KYGQIECXFZGJHA-GOSISDBHSA-N 390.399 2.966 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc3c(C)cc(C)cc3s2)CC1 19309776 FPKWWYFJPCCRGH-UHFFFAOYSA-N 381.523 2.913 0 40 GFAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1c(CC)cccc1CC 5403364 QGUYYEMLCINLCP-YVLHZVERSA-N 376.478 2.730 0 40 GFAB Cc1csc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)n1 19822988 NRSOETPCHVESLR-UHFFFAOYSA-N 375.269 2.626 0 40 GFAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 5585977 JODMDCBWGSEKCN-KGLIPLIRSA-N 387.457 2.613 0 40 GFAB CCCCN(C(=O)c1cccc(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 6788282 SKOZPCIXFYLNLA-UHFFFAOYSA-N 392.887 2.875 0 40 GFAB CCc1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300195 YYDDVRYUMCTZFU-UHFFFAOYSA-N 391.471 2.955 0 40 GFAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCCC2)cc1 7206664 HEFOSDOSKLIPHQ-UHFFFAOYSA-N 396.476 2.699 0 40 GFAB COc1ccccc1-c1noc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 7735280 YIIUCDPZCHMJDH-OAQYLSRUSA-N 390.399 2.639 0 40 GFAB C[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(N(C)C)cc4)c(=O)c23)C1 7995119 AZDDYWJYYDAVSV-GFCCVEGCSA-N 397.504 2.683 0 40 GFAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)no2)cc1 19796719 WDETXGZKSVESLS-SFHVURJKSA-N 397.431 2.747 0 40 GFAB CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8427950 WQVGFHONKUMZRC-AWEZNQCLSA-N 380.400 2.652 0 40 GFAB O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@@H]1CCSc2ccccc21 95461273 DXKKIEUKDHNYOX-OAHLLOKOSA-N 379.445 2.559 0 40 GFAB Cc1ccccc1C[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 67807871 UZVMDLPNQNRJSO-NYHFZMIOSA-N 397.450 2.649 0 40 GFAB CC(C)(C)OC(=O)N1CCNC2(CCN(C(=O)OCc3ccccc3)CC2)C1 306145392 DDTZZNFZGVIJDQ-UHFFFAOYSA-N 389.496 2.998 0 40 GFAB CCCc1nc(C(=O)NC[C@H](c2ccco2)N(C)C)nn1-c1ccccc1F 152304067 NGSZVDVBOIOMCS-MRXNPFEDSA-N 385.443 2.985 0 40 GFAB O=C(COc1ccccc1)N1CCC[C@H]1c1ccnc(Nc2ncccn2)n1 72377703 FUHWQBLFHADPKU-KRWDZBQOSA-N 376.420 2.753 0 40 GFAB Cc1ccccc1S(=O)(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1 77197536 DOFXODXWPFYSIX-UHFFFAOYSA-N 399.476 2.973 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)n(C)n2)c1 77200668 PJKBQYFZNOVRER-GOSISDBHSA-N 398.463 2.730 0 40 GFAB C[C@@H]1C(=O)[C@@]23[C@H]4[C@@H](O)C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H](O)[C@@]41C 95100264 MDODVBXGWQIKBY-ORTAGVHJSA-N 392.536 2.916 0 40 GFAB COc1ccc(CN2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C(C)=O)cc1 96050145 PWHPAHJULAFVRP-QHCPKHFHSA-N 393.487 2.535 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1NCCc2cc3c(c(OC)c21)OCO3 95611597 ZPSPOYAHTOQXBP-IRXDYDNUSA-N 399.399 2.540 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCCCC1)NC2=O 247912859 AHJAKLFIJVEYSA-OLMRKFRDSA-N 384.476 2.962 0 40 GFAB COc1ncccc1CN1CC2(C1)OCC[C@H]2COCc1csc(C)n1 248018842 IGFCHLCRMRZDMJ-INIZCTEOSA-N 375.494 2.663 0 40 GFAB Cn1ccnc1[C@@H]1C[C@@H](NC(=O)Nc2cnc(-c3ccccc3)nc2)CCO1 584155519 VCHYIIHYEJBAKB-RDJZCZTQSA-N 378.436 2.919 0 40 GFAB Cc1cc(C)cc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1 244096047 UGLXXMGTUZFAAI-UHFFFAOYSA-N 397.294 2.983 0 40 GFAB CCN(C(=O)c1cnccn1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 257252729 JVXWOXRJMVAJJI-CTNGQTDRSA-N 396.491 2.837 0 40 GFAB CN(C)CCOc1cccc(CN(C)C(=O)[C@@]2(O)CCc3ccccc3C2)c1 585080974 PJUSGUPOXRYPAS-HSZRJFAPSA-N 382.504 2.505 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](c3ncncc3-c3ccnc(N)c3)C2)c1 257329769 XLLZPMOUCBGGAI-INIZCTEOSA-N 375.432 2.759 0 40 GFAB CN(CC(=O)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1)Cc1ccc(F)cc1 257232117 GJMCIUPZIDWSAY-QMMLZNLJSA-N 383.467 2.969 0 40 GFAB CCc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1OC)S(C)(=O)=O 260769769 RACXUPLOBWPYDJ-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB C[C@H](NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)c1ccc(-c2ccccc2)cc1 635112013 KGRRCSLSSHVOAY-ORYQWCPZSA-N 388.471 2.961 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 585183584 DSXRDKBCZOKSDD-QFIPXVFZSA-N 393.531 2.860 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4ccsc4)CC3)[C@H]2C1 585106313 SJNYJINPLLQFOD-JQHSSLGASA-N 389.565 2.518 0 40 GFAB CC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595115 ZHFWJXVSKKTZJP-ZTFGCOKTSA-N 381.904 2.523 0 40 GFAB COc1ccccc1OCCN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 12116963 YOVGCTWCWIVNJA-UHFFFAOYSA-N 383.452 2.587 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2cnc3ccccc3c2)cc1 12362555 OOPFBFFQLHJTPI-UHFFFAOYSA-N 381.457 2.840 0 40 GFAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1Cc1ccccc1 12374123 URPHFDVCDVADKW-UHFFFAOYSA-N 399.454 2.554 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)cc2)cc1 13633276 DNFUCYAGUQBEKM-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1 13668605 VCSLMRYFOWNSFT-SFHVURJKSA-N 395.569 2.532 0 40 GFAB COc1ccc(Cl)cc1NCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 15289876 YXKMJQGAAJRCJO-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB COc1cccc(CN2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 19021826 VCNLBHMBZRSNEZ-GOSISDBHSA-N 393.491 2.566 0 40 GFAB COCCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 19235469 VLECMCRBQLCDCQ-HSZRJFAPSA-N 380.488 2.945 0 40 GFAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)CC1)CC2=O 19237920 COGWOVHTEWXRQE-HNNXBMFYSA-N 397.475 2.863 0 40 GFAB O=C(c1cc(C2CCN(Cc3ccc(F)cc3)CC2)no1)N1CCC[C@H](O)C1 19333830 ZWXZOORKFCKEKQ-SFHVURJKSA-N 387.455 2.790 0 40 GFAB O=C(CN1CCCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 19369271 YJJYNOWKHQQMKG-FQEVSTJZSA-N 394.519 2.923 0 40 GFAB CN(C)c1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cnn1 206723761 IHDCFFCWGBMPPU-UHFFFAOYSA-N 379.386 2.524 0 40 GFAB Cc1[nH]c2c(C)cccc2c1CC(=O)N1CCC(O)(Cn2ccnc2C)CC1 12143522 VGKNDLICQSRDLH-UHFFFAOYSA-N 380.492 2.886 0 40 GFAB C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)N1CCCC1 12219655 ZKAYKQSUUUDIAH-OAHLLOKOSA-N 380.492 2.524 0 40 GFAB Cn1nccc1[C@H](NC(=O)c1ncc2cc(Cl)ccn12)C(=O)OC(C)(C)C 594371845 NSZFLFBGHFXZDK-AWEZNQCLSA-N 389.843 2.534 0 40 GFAB CCn1nc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 11485686 YOTSZZNNTFTXKR-UHFFFAOYSA-N 375.432 2.655 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)COc1ccccc1-2 4088300 AMKKWIAJAUCHHG-UHFFFAOYSA-N 391.408 2.937 0 40 GFAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1ccccc1 11612664 HKHBAPUVLLMXFI-IBGZPJMESA-N 386.517 2.979 0 40 GFAB Cc1nnc(N2CCOC[C@@]3(CCCN(C(=O)[C@H]4CC[C@H](C)CC4)C3)C2)o1 2055815522 YFCJZRDMMSRSAM-WRWLIDTKSA-N 376.501 2.650 0 40 GFAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)n1 35597494 FNXFSKQFQCAEID-UHFFFAOYSA-N 383.476 2.837 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1OC 105862485 NRFAFZVUPWRRRK-MOPGFXCFSA-N 394.471 2.792 0 40 GFAB COc1nc(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)nc(OC)n1 575607708 PMYYWUXVAFTINK-UHFFFAOYSA-N 391.387 2.627 0 40 GFAB O=S(=O)(Cc1ccccc1F)NC[C@@](O)(c1ccccc1)C1CCOCC1 575610828 BSBOAEMXQHRPBP-HXUWFJFHSA-N 393.480 2.560 0 40 GFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1-n1cncn1 40070241 UKGSPJHIPKBZLC-UHFFFAOYSA-N 379.464 2.538 0 40 GFAB Nc1nc(SCC(=O)N2CCOCC2)nc2scc(-c3ccccc3)c12 12324968 UZWMDJCFIXWTJU-UHFFFAOYSA-N 386.502 2.891 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)cc1 928204 PPZCBBRSDCIRSP-UHFFFAOYSA-N 399.428 2.882 0 40 GFAB O=c1c2cnc(NCc3cc(F)ccc3F)nc2nc(O)n1-c1ccccc1 77100696 BQYOAWHHJUUDDI-UHFFFAOYSA-N 381.342 2.772 0 40 GFAB COc1ccc(OCCN(C)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)cc1 37474850 KYJFKRCKPVDENJ-HZPDHXFCSA-N 389.496 2.710 0 40 GFAB Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccccn1 1362541 JAYKMZMVLZXAFH-UHFFFAOYSA-N 395.488 2.589 0 40 GFAB CCn1cc(C(=O)NCc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21 1364953 OURBLFLYMVDPMA-UHFFFAOYSA-N 381.432 2.672 0 40 GFAB Cc1cn2nc(N(C)C[C@H](O)COc3ccc(C(F)(F)F)cc3)sc2n1 53575890 PKLJSRALCCMRCZ-LBPRGKRZSA-N 386.399 2.994 0 40 GFAB COC(=O)CCCCCNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3200192 MQORGLNBXVBAJJ-UHFFFAOYSA-N 390.509 2.504 0 40 GFAB CC(=O)N1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)CC1 873312 CWAXAGSLXQVGHY-UHFFFAOYSA-N 381.476 2.989 0 40 GFAB CC(C)C(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)CC1 23132314 UESWIRYPXCGRGS-SFHVURJKSA-N 399.535 2.926 0 40 GFAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cncnc2)C1 8297535 VZDWOQGWZGJXCC-DLBZAZTESA-N 386.455 2.873 0 40 GFAB biogenic,in-vitro Cc1ccc(-n2nc(/C(O)=N/S(C)(=O)=O)c3ccccc3c2=O)cc1Cl 54425270 VJIQSKBUKIVTFG-UHFFFAOYSA-N 391.836 2.612 0 40 GFAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 23805943 LWVXUTDXTIPFPC-UHFFFAOYSA-N 397.884 2.911 0 40 GFAB O=C(NC1CC1)C1CCN(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)CC1 54783358 JFLOSZCBEMOOFR-QGZVFWFLSA-N 375.444 2.740 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)n(C)c1 24467782 MHHZERBOWQEJIS-CQSZACIVSA-N 375.494 2.647 0 40 GFAB CC(=O)c1cccc(OC[C@@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)c1 25062118 PSOBNYQYBLXNQT-INIZCTEOSA-N 382.416 2.758 0 40 GFAB NC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 58066579 GZRUVMPCWZWBMS-UHFFFAOYSA-N 397.412 2.655 0 40 GFAB CCCN(CCC)C(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426633 AMWYGIPDELIETA-UHFFFAOYSA-N 379.526 2.919 0 40 GFAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC(=O)O)ccc12 2098955 UNCCPQVPAPFZBH-CYBMUJFWSA-N 375.421 2.802 0 40 GFAB biogenic COC[C@@H](C)n1c(S[C@@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O 58194783 JQFHYCAVWHHLHQ-CZUORRHYSA-N 377.510 2.809 0 40 GFAB O=C(CN1CCN(c2ccccc2Cl)CC1)NCc1ccc2c(c1)OCO2 58171280 BGRBBMXGVJBUHC-UHFFFAOYSA-N 387.867 2.507 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(Cc3nc4ccccc4nc3C)c(=O)c12 48264249 WBXKWJCFTBCKOH-UHFFFAOYSA-N 378.388 2.775 0 40 GFAB COc1cc(NC(=O)CCn2cnc3sccc3c2=O)cc(OC)c1OC 12750248 XIZPOUSBOPROBO-UHFFFAOYSA-N 389.433 2.513 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2cccc(F)c2)n2nnnc2N3)c1 10296873 KQXLJUYJOQPFRF-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB Cc1nc(/C=C/C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cs1 58226765 AHMLVFBHDJKFKP-QWNKOJSDSA-N 375.469 2.794 0 40 GFAB Cc1cc(N2CCN(C(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)CC2)nc(C(C)C)n1 27809772 ZOSXRBPXQCNCFH-OXQOHEQNSA-N 396.491 2.786 0 40 GFAB Cc1cc(OCC(=O)N2CCC(C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCCC3 2120432 BBYMKSSAUUNUNH-UHFFFAOYSA-N 399.443 2.682 0 40 GFAB biogenic COc1ccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 108643812 WZJUOPPDAKKLPS-KRWDZBQOSA-N 384.476 2.611 0 40 GFAB CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C 58401189 XEFVPRKRXGRBJK-UHFFFAOYSA-N 377.510 2.718 0 40 GFAB CC(C)c1noc(CCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)n1 48301223 KXZOPOUHVCQCQG-UHFFFAOYSA-N 386.452 2.627 0 40 GFAB COc1ccc(OC)c(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)c1 2383125 FXAMYQPIZHQSAF-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 20014552 GKMLFAZXHFIGGQ-HNNXBMFYSA-N 376.478 2.583 0 40 GFAB CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 60352836 DDQFVDRBNAZWLV-CHWSQXEVSA-N 377.242 2.883 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1Cl 2654425 RBMTWAIWVHSQPS-IBGZPJMESA-N 387.823 2.754 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4C[C@H]3C)C2=O)cc1 2621793 LWERJGKREADVAT-IVZQSRNASA-N 377.444 2.740 0 40 GFAB COc1ccc(/C=C(/C(=O)NCCCN2CCN(C)CC2)c2ccccc2)cc1 22935053 CLJCQQAOLRYJIZ-FCDQGJHFSA-N 393.531 2.990 0 40 GFAB C[C@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCCO2 3453645 YXCQABDQXKHKBL-VIFPVBQESA-N 396.193 2.997 0 40 GFAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1 12974654 VPMYBTXRICLCHG-UHFFFAOYSA-N 388.474 2.939 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC[C@H]1CCCO1 12946683 HMJUYECIJXQACL-MRXNPFEDSA-N 392.452 2.844 0 40 GFAB COc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 8924844 JINHGOVETKVVLQ-UHFFFAOYSA-N 394.518 2.861 0 40 GFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)NCCC(C)C)C2=O)cc1OC 13684387 CAFQKRDDTJVEGM-MHWRWJLKSA-N 392.477 2.902 0 40 GFAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC 5557150 ODNFCFDURUTWSW-IBGZPJMESA-N 395.411 2.656 0 40 GFAB O=C(OCCOc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6625831 BIGWEVDPTOZVFD-UHFFFAOYSA-N 393.436 2.846 0 40 GFAB CCc1cc2c(COC(=O)CNC(=O)c3ccccc3)cc(=O)oc2cc1O 5716704 DUXNOOWDTJAQNV-UHFFFAOYSA-N 381.384 2.534 0 40 GFAB C[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)NCc1ccco1 6849552 GCASEFIBCYYLCV-ZDUSSCGKSA-N 382.372 2.987 0 40 GFAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)c1 6810346 PSTGPGJFUBQRNI-QGZVFWFLSA-N 391.489 2.800 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F 6936306 MMBYPSRUEOGBEL-OAHLLOKOSA-N 398.406 2.819 0 40 GFAB COc1cccc(-n2nnc(C(=O)NCc3ccco3)c2-c2ccncc2)c1 67261778 FMMOIQLIOYCIDS-UHFFFAOYSA-N 375.388 2.861 0 40 GFAB COc1ccc(CCNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1OC 15739060 ACSDLCHKEMQKKA-UHFFFAOYSA-N 395.459 2.967 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 7843819 HUYACDBXGKLNFP-UHFFFAOYSA-N 376.460 2.959 0 40 GFAB CC(C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1 7986167 WLDOELZLKLRVKZ-LJQANCHMSA-N 375.432 2.855 0 40 GFAB CN(C)S(=O)(=O)c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 16481890 RMNBFZIOZKAROV-UHFFFAOYSA-N 393.940 2.913 0 40 GFAB Cn1nc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c2ccccc2c1=O 8062694 XSBUAEWLJFGALV-AWEZNQCLSA-N 383.473 2.816 0 40 GFAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21 8231004 AGPHEHVVDXGPOR-UHFFFAOYSA-N 376.460 2.556 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@H](C)c1cccs1 8312662 RFLRKIXUFQECRF-KGLIPLIRSA-N 395.550 2.985 0 40 GFAB O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCO[C@H](c2ccccc2)C1 23897156 JPFMPIDGICGADB-IBGZPJMESA-N 378.428 2.549 0 40 GFAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C)CC(C)(C)OC 72297562 RUENAOMMTVIQGW-ZBFHGGJFSA-N 396.553 2.867 0 40 GFAB Cc1cc(CC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)c(C)s1 72310897 MYMZTSFWYGDZBG-UHFFFAOYSA-N 383.882 2.714 0 40 GFAB COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C 98201019 AVAMRGOONZYOCL-XDQVBPFNSA-N 382.501 2.582 0 40 GFAB COCCN(C)c1ccc(NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)nc1 95966958 WKFZCNGMVBNBSS-UHFFFAOYSA-N 395.463 2.919 0 40 GFAB CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1(C)C 95987283 ZINGYGACSXPTDW-NXOUGTEYSA-N 396.443 2.865 0 40 GFAB O=C(NCc1ccccc1)c1cc(N2CCC[C@H](N3CCCC3=O)C2)ccn1 95958649 ANAIUYRGSRMDEP-IBGZPJMESA-N 378.476 2.603 0 40 GFAB O=C(Cc1ccccc1)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306138953 SLPRZXCSTYQAPA-RTWAWAEBSA-N 386.455 2.534 0 40 GFAB Cc1ccc(CNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22385484 HXGRSMIPZLQBKS-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB Fc1ccc(Cn2nnnc2CN2CCN(c3cccc(Cl)c3)CC2)cc1 35289851 VZLQRNUGRURKGQ-UHFFFAOYSA-N 386.862 2.836 0 40 GFAB O=C1NCCCN(C(=O)Cc2nsc3ccccc23)[C@@H]1Cc1ccccc1 520219857 LRMZBWPQYFHVRX-GOSISDBHSA-N 379.485 2.799 0 40 GFAB COc1ccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)cc1 72348722 SKJUAHQDMMFGKC-LJQANCHMSA-N 395.503 2.795 0 40 GFAB COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc(OC)c1OC 32103947 VZCDZVUUZLKSPV-UHFFFAOYSA-N 396.399 2.723 0 40 GFAB O=C(CN1CCC(NC(=O)C2CCCCC2)CC1)Nc1ccc2c(c1)OCO2 35313364 AWXGJZHNBCHFPF-UHFFFAOYSA-N 387.480 2.515 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 37021525 QZGRVPSQIBJOLA-CABCVRRESA-N 388.489 2.828 0 40 GFAB N[C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 72227681 JVUFMAVHLVFNIB-CVEARBPZSA-N 375.222 2.636 0 40 GFAB CCn1cccc1-c1noc(CNC(=O)COc2cccc3c2OC(C)(C)C3)n1 225768530 JJFHRELMGLEBCS-UHFFFAOYSA-N 396.447 2.967 0 40 GFAB O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc2n(n1)CCO2 564509698 GCJZQXIOHDXQPA-LBPRGKRZSA-N 381.263 2.981 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1 222731177 TYFLVSHQBFSOEJ-ZDUSSCGKSA-N 394.522 2.879 0 40 GFAB C[C@@]1(O)CCN(C(=O)C2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 514289890 LQYYDHDJRFRKIT-BBTUJRGHSA-N 384.501 2.981 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)c(C)c1C 224213944 UBAHQYSHUYSREA-UHFFFAOYSA-N 390.509 2.571 0 40 GFAB CNC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)CC(C)C)CC2)c2ccccc21 96241942 QAWQTYUDVWHIPJ-MRXNPFEDSA-N 378.538 2.629 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc(F)c1 96520907 XMQVRQOLWRVFLU-SECBINFHSA-N 390.068 2.737 0 40 GFAB COCCn1ccc2c(NC(=O)c3cccc(-n4nnnc4C)c3)cccc21 95479190 DENCOVKJUHYDCT-UHFFFAOYSA-N 376.420 2.824 0 40 GFAB Cc1cccc(Nc2ccc([C@H]3CN(CC(=O)N4CCCCC4)CCO3)nc2)n1 257302691 SDWOZIZQAFPCMG-HXUWFJFHSA-N 395.507 2.914 0 40 GFAB COc1ccc(-c2n[nH]cc2C(=O)N2C[C@@H]3C[C@@H](C2)[C@H]2CCCC(=O)N2C3)cc1 524729824 LBVBZOJPRGAEFB-URLQWDBASA-N 394.475 2.558 0 40 GFAB CCOCC[C@@H]1CCOC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 253381880 GFBRUPNIXJWCSW-QGZVFWFLSA-N 375.465 2.782 0 40 GFAB CC(=O)N1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257304767 SNCDARQYUSQTBG-KRWDZBQOSA-N 383.370 2.970 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccc(OC(C)C)cc2)C1 260507779 ONPDMBNPXUZEBX-SFHVURJKSA-N 396.553 2.584 0 40 GFAB COc1cc(C)nc(C[S@@](=O)CC(=O)NC2C3CC4CC(C3)CC2C4)c1 545225927 FPAHJAVBJIPCEK-RUTGZHKASA-N 376.522 2.588 0 40 GFAB Cc1ccc(NC(=O)c2c(C(F)(F)F)n[nH]c2C)cc1C(=O)N1CCOCC1 683882483 QDSKYNRVRRWSFR-UHFFFAOYSA-N 396.369 2.770 0 40 GFAB COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNC1([C@H](C)O)CC1 597235035 RTJUXOKZINPUQL-JTQLQIEISA-N 384.263 2.969 0 40 GFAB CCS[C@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 609562369 HPZLWPKIMWZHMC-ZFWWWQNUSA-N 385.555 2.712 0 40 GFAB Cc1ccccc1CN1CCC(NC(=O)CN2CCC[C@@H](N3CCCC3)C2)CC1 613441291 ZPZQLUCZTRNWFL-HSZRJFAPSA-N 398.595 2.636 0 40 GFAB COc1cc(NC(=O)N2CC(Cc3ccccc3Br)C2)ncn1 626459360 YUHFLLHTQFEEFO-UHFFFAOYSA-N 377.242 2.954 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)Nc1cccc(Cn2ccnc2)c1 25170349 ISZFSBFYMIYQGN-UHFFFAOYSA-N 378.432 2.699 0 40 GFAB CCc1nc(CN(C)c2ncccc2S(=O)(=O)N2CCCCC2)cs1 66465025 MLPZYPMWYLMRFN-UHFFFAOYSA-N 380.539 2.912 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615157542 KVMPOJUKVJWBCK-QHCPKHFHSA-N 394.471 2.662 0 40 GFAB CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C 5570624 OWLHGIXLOXOSGM-UHFFFAOYSA-N 383.901 2.703 0 40 GFAB O=C(c1ccc(OC2CSC2)cc1)N1CCC[C@H](c2ccnc3ncnn23)C1 12118832 LKBKQERKIIFSLE-HNNXBMFYSA-N 395.488 2.638 0 40 GFAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccccc4)nn32)cc1 14607315 KOCAIIALDIPWIC-MRXNPFEDSA-N 377.404 2.866 0 40 GFAB CCn1ncc(CN2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)c1C 19523968 LUXWGRNAAKHRTI-NQIIRXRSSA-N 382.508 2.957 0 40 GFAB CC(C)N1Cc2cn(C)nc2[C@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 19695687 PDRRSPVZXUAUHK-GOSISDBHSA-N 383.471 2.707 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 19867841 WLGKQNJLCWSQLU-UHFFFAOYSA-N 378.538 2.939 0 40 GFAB Cn1c(=O)n(C)c2cc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)ccc21 7342911 OKJBVOBENBHBDS-YBEGLDIGSA-N 380.429 2.971 0 40 GFAB O=C(O)c1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)cc1 101274948 OFRIZKXJNZZGFJ-AWEZNQCLSA-N 389.205 2.891 0 40 GFAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 2457047 DNASXEWGPCPNGX-CQSZACIVSA-N 378.454 2.584 0 40 GFAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 12228464 HSOJRXKCGLJJLA-OAHLLOKOSA-N 395.463 2.925 0 40 GFAB COc1ccc(C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)s1 13227827 DQFUHVITTGJSOW-UHFFFAOYSA-N 385.449 2.925 0 40 GFAB C[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-n2cncn2)cc1 18160033 WTKCHDJINOFEHT-OAHLLOKOSA-N 383.496 2.729 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(Cl)cc1Br 5048968 TUGAGLCEOKCGPF-UHFFFAOYSA-N 391.693 2.854 0 40 GFAB Cc1nc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cs1 2037840864 UQYCRYOIPUXSBT-UHFFFAOYSA-N 375.469 2.989 0 40 GFAB O=C(Cc1ccsc1)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 253537669 DFJKNTIIHDUDJE-UHFFFAOYSA-N 375.475 2.631 0 40 GFAB O=C(CSc1nc(O)c2cn[nH]c2n1)Nc1ccc(OC(F)(F)F)cc1 4249632 NOZFBJTWDUPWAP-UHFFFAOYSA-N 385.327 2.688 0 40 GFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 8941409 LUKWPWVCKOWHQM-UHFFFAOYSA-N 388.472 2.938 0 40 GFAB CC[C@H](C)n1c(C)cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 10103924 UWRAJRLDLUMNQU-AWEZNQCLSA-N 379.464 2.672 0 40 GFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12 10256128 IJGDNIIPJRRIEO-GOSISDBHSA-N 375.428 2.753 0 40 GFAB CCCc1nnc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)s1 13702186 YRNJKBVDOLEFSN-UHFFFAOYSA-N 380.499 2.606 0 40 GFAB Cc1cc(N2CCC(COc3cc4c(nn3)CCC4)CC2)n2nc(C)cc2n1 1775967424 QZBJIHTZGLXDJX-UHFFFAOYSA-N 378.480 2.920 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(Cc2cccs2)CC1 23127516 FLBLUBOXFHELQB-UHFFFAOYSA-N 389.496 2.532 0 40 GFAB CSCCn1/c(=N\C(=O)c2cc(C)no2)sc2cc3c(cc21)OCO3 101315405 PELOUOJTVXDJJP-WUKNDPDISA-N 377.447 2.832 0 40 GFAB Cc1cccc(S(=O)(=O)NCCC(=O)NCc2cccnc2-c2ccco2)c1 225660776 VBYJVEQUDBASOP-UHFFFAOYSA-N 399.472 2.635 0 40 GFAB CCc1ccc(OCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 5719408 AAEXSNBBIZNIFL-QFIPXVFZSA-N 393.487 2.973 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3=O)c(OC)c1 40057402 SREPQNZYRUAZQM-SFHVURJKSA-N 396.443 2.888 0 40 GFAB Cc1cc(C)n(-c2ccc(CCNC(=O)CCn3c(C)csc3=O)cc2)n1 40106796 JRQODFZQALUGNZ-UHFFFAOYSA-N 384.505 2.770 0 40 GFAB C[C@@]12CSCC(=O)N1[C@@H](C(=O)NCCSCc1cccs1)CS2 40150357 YOXUWRNZAQRACV-IUODEOHRSA-N 388.605 2.505 0 40 GFAB COc1cccc(/C=C(/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 32149029 AXYNPJXGHHNEMT-OFBHVFLISA-N 385.485 2.881 0 40 GFAB CCc1noc([C@H](C)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)n1 32760305 REPQSZCCTVHNRL-AWEZNQCLSA-N 398.467 2.569 0 40 GFAB C[C@@H](Nc1ncc2c(=O)n(-c3cccc(F)c3)c(=O)[nH]c2n1)c1ccc(F)cc1 102331726 QLHLRQLDZOSNHD-LLVKDONJSA-N 395.369 2.920 0 40 GFAB COc1ccc(N2C(=O)C[C@H](N3CCN(c4cc(C)ccc4C)CC3)C2=O)cc1 102682672 VDTUIBFVWJKVGT-NRFANRHFSA-N 393.487 2.766 0 40 GFAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 22018577 LTEWMINOLYFDMK-TWSLPJAOSA-N 382.464 2.516 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 800631 IGMVRKRGBIAOEP-HNNXBMFYSA-N 382.416 2.620 0 40 GFAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 844015 DUIMJHGQWFVERX-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 984239 UPGQTTIDZCWQJW-UHFFFAOYSA-N 388.851 2.854 0 40 GFAB COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(OC)cc1 2241778 CVSSWVXMXIIWJV-UHFFFAOYSA-N 378.381 2.903 0 40 GFAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccnc2)n1N 3279902 MNYYKAGDGMFHRK-UHFFFAOYSA-N 382.493 2.910 0 40 GFAB COc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2ccccc2)cc1OC 3489485 OYAOZGKWEZXQTA-GFCCVEGCSA-N 384.461 2.917 0 40 GFAB Cc1coc2cc3oc(=O)c(CC(=O)NCCCN4CCCC4=O)c(C)c3cc12 4085108 MDWIGGAVQHTZTG-UHFFFAOYSA-N 396.443 2.827 0 40 GFAB biogenic O=C(NC1CCCCC1)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 4620556 NQLORFPQWFZXIK-UHFFFAOYSA-N 386.843 2.691 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCC2)CSC3)cc1 4941669 DCAFZPAUJUTUKM-UHFFFAOYSA-N 386.477 2.625 0 40 GFAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)c1ccccc1 5234567 BWTGJUOFMLAJGC-MRXNPFEDSA-N 396.424 2.900 0 40 GFAB CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 6315193 YBRULXIJTVSGEV-UHFFFAOYSA-N 377.418 2.825 0 40 GFAB Cc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2ccccc12 6330614 NBEVVYSDIHBXLA-UHFFFAOYSA-N 387.486 2.921 0 40 GFAB Cn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(S(C)(=O)=O)ccc21 6422823 DGXGDSPMSUHVDV-MNDPQUGUSA-N 382.413 2.663 0 40 GFAB Cc1cc(C)c2nc(SCC(=O)NC(=O)CN3CCCC3=O)cc(C)c2c1 6477175 PDEVYECUKXDDPI-UHFFFAOYSA-N 385.489 2.517 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 6596401 YSRBTLZFGKPIHV-JUKMUDQWSA-N 375.421 2.793 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)OCCOc2ccccc2)cc1OCC 6617494 NFUIPEADPPOQQS-UHFFFAOYSA-N 387.432 2.836 0 40 GFAB Cc1c(C(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)cnn1-c1ccccc1 6662328 VNIZUKIHFQPKFM-OAHLLOKOSA-N 389.411 2.813 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)C[C@@H](C)O1 6859557 VHWIHNFMZPEAOB-HZPDHXFCSA-N 394.537 2.889 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 8158253 PVPJAPJDGQGSLH-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB COCCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(OC)cc2)n1 8476322 HYICLDGVFWNYAZ-UHFFFAOYSA-N 384.411 2.848 0 40 GFAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC(C)C)c1ccc(C)cc12 8843733 FZXVQMKDXHFESA-LJQANCHMSA-N 388.493 2.543 0 40 GFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)Cc3cccs3)c2n1 8941820 AZDBSUQRIAAQEO-UHFFFAOYSA-N 390.538 2.789 0 40 GFAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccccc2)cc1 9238797 GWJYBYCEVLOHLE-QZTJIDSGSA-N 379.489 2.970 0 40 GFAB O=C(NCc1ccco1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 9530932 GWUJJOJDCBRBID-UHFFFAOYSA-N 391.427 2.507 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1Cl 9974625 MRSDEQKZRAPJJV-GFCCVEGCSA-N 388.917 2.664 0 40 GFAB O=C(CCC1CCCCC1)NCCS(=O)(=O)N1CCc2ccccc2C1 10704890 HVIDNYCNVXLJBY-UHFFFAOYSA-N 378.538 2.851 0 40 GFAB Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nnn1-c1ccc(F)cc1 11615993 FBLBMFGSSLYNBL-UHFFFAOYSA-N 394.454 2.719 0 40 GFAB CC(C)c1cc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n(C)n1 12220351 DRDNDPHVWJOUMW-UHFFFAOYSA-N 389.463 2.621 0 40 GFAB COC[C@@H](C)NC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226611 QUNVUSMRSSXXIU-PBHICJAKSA-N 378.444 2.657 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)c1 12296586 QJWVEWMBHDHSNZ-CQSZACIVSA-N 378.384 2.793 0 40 GFAB biogenic COc1ccccc1-n1cnnc1SC[C@@H](O)COc1ccc(F)cc1 12543239 HMKPYLSZUANFMZ-AWEZNQCLSA-N 375.425 2.947 0 40 GFAB Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1NS(C)(=O)=O 12544838 SZTFPYBPCRACSI-UHFFFAOYSA-N 387.461 2.746 0 40 GFAB CCOCCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(C(=O)OC)ccc21 12634303 KCABYSCNPUFLQZ-VHEBQXMUSA-N 389.433 2.563 0 40 GFAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(OC)c1 12751275 HJCYMJSYPIIALS-IBGZPJMESA-N 397.475 2.839 0 40 GFAB Cc1c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12902234 UULHXXLAXQLMPW-LBPRGKRZSA-N 387.432 2.727 0 40 GFAB biogenic Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCCNC(=O)c1ccsc1 12912737 OLWXHQLPKZODOX-UHFFFAOYSA-N 380.491 2.609 0 40 GFAB COC(=O)c1sc2nc(CN(C)Cc3ccccc3F)[nH]c(=O)c2c1C 13140844 TWBUZPUHHALLJW-UHFFFAOYSA-N 375.425 2.851 0 40 GFAB COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(=O)(=O)c1ccccc1 13571846 BJDDNALPMPUTAQ-UHFFFAOYSA-N 386.473 2.674 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC2=NCCS2)cc1 14818166 JQMCQBYLNVWRCI-OKILXGFUSA-N 375.494 2.688 0 40 GFAB Cc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1 16851219 JNBVCGJMIUVIEH-UHFFFAOYSA-N 382.445 2.963 0 40 GFAB CCCS(=O)(=O)c1nnc(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 17045806 MZEWHTZMLYBJMS-LLVKDONJSA-N 387.458 2.657 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(C)cc1)C2 19209832 NCAHKUOLZDXYRQ-OAQYLSRUSA-N 392.503 2.986 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)cn1 19238872 DRFUOXASQRFSSH-CYBMUJFWSA-N 381.461 2.617 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19583520 BCPRFURWGDCALS-ZDUSSCGKSA-N 383.477 2.560 0 40 GFAB CN1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)CN1CCCC1=O 19712902 ICQRYNBZBJAVEG-NJYVYQBISA-N 383.536 2.695 0 40 GFAB COc1ccccc1-c1ccccc1CN1CCC2(CC1)NC(=O)N(C)C2=O 19714571 IFYBAOMKDOZXRO-UHFFFAOYSA-N 379.460 2.878 0 40 GFAB CNc1cc(CC2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)nc(C)n1 19758813 JXQKFYWIIMWUMG-UHFFFAOYSA-N 392.500 2.750 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1 19931765 XTTBBGCRMWGMOA-KRWDZBQOSA-N 384.476 2.725 0 40 GFAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 20021419 VLAASAWZOABQMO-CYBMUJFWSA-N 396.896 2.847 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 21293415 FOECFGKWBGHZOA-UHFFFAOYSA-N 398.897 2.762 0 40 GFAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC 21308661 JTEMNVPYCUZFPU-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 21382143 PUUQLHKRQOXSPQ-NRFANRHFSA-N 398.528 2.935 0 40 GFAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCOCC2)cc1 22225893 VXWGWNKFMDLXFA-OAQYLSRUSA-N 379.460 2.705 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 23127468 IFEZVJJFSKGNJF-UHFFFAOYSA-N 385.464 2.564 0 40 GFAB O=S(=O)(NC[C@H]1COc2ccccc2O1)c1ccccc1Br 23385681 DMHWIXLBGSSPTK-NSHDSACASA-N 384.251 2.567 0 40 GFAB Cc1ccc2oc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc(=O)c2c1 23958448 WLNWZAYZJHGYPD-UHFFFAOYSA-N 392.455 2.864 0 40 GFAB CCc1cccc(N2C[C@@H](C(=O)NCc3ccc(OC)c(OC)c3)CC2=O)c1 24836451 MKQNRRFEIOKDPZ-KRWDZBQOSA-N 382.460 2.936 0 40 GFAB COCCCNC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 26755953 WUDIHXSTQOOPPR-GFCCVEGCSA-N 380.539 2.899 0 40 GFAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)c1ccc(F)c(F)c1 31745227 HICDDBPOBGVWRN-SNVBAGLBSA-N 386.445 2.974 0 40 GFAB CC[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc2C1 32446352 ZIJFPXMHGVHZSF-LJQANCHMSA-N 386.517 2.657 0 40 GFAB COc1ccc(Nc2nc(N3CCCCCC3)nc(N3CCOCC3)n2)cc1 32604224 RIMUPTHCWPYIGG-UHFFFAOYSA-N 384.484 2.841 0 40 GFAB CC(=O)NCc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 32860295 XKJLGVBRWCTTJM-UONOGXRCSA-N 386.423 2.885 0 40 GFAB CCN(CC)CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 34871518 MYEIGEWTMIECBB-UHFFFAOYSA-N 376.478 2.986 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1-n1cnnn1 36357379 PVFIUDSEJSQJPE-UHFFFAOYSA-N 381.417 2.625 0 40 GFAB CCc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3F)CC2)C1=O 36633968 KXJIMMYIJHZVEK-HXUWFJFHSA-N 381.451 2.842 0 40 GFAB CC(C)C(NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C(C)C 38849207 IOHUTKLUJIHRDV-OAHLLOKOSA-N 388.917 2.664 0 40 GFAB CC(C)(C)c1ccc(/C=C/C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 39559632 HUYVGLBFINWCND-IZZDOVSWSA-N 392.459 2.922 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(CN3CCOCC3)cc2)cc1 39975590 KTYBBPJJYKOFHV-MRXNPFEDSA-N 396.491 2.916 0 40 GFAB O=C(CCN1CCC(NC(=O)C2CC2)CC1)Nc1ccc(Br)cc1 40120399 GRHCIZYKGDVABL-UHFFFAOYSA-N 394.313 2.768 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 40566497 HVCPHFLKCMRUGW-CABCVRRESA-N 384.457 2.565 0 40 GFAB CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3nnc(C)s3)n2)cc1 44213883 YWTJHECUPJMODN-LLVKDONJSA-N 385.449 2.669 0 40 GFAB Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ccccc1Br 44841314 IZHQRJFZNRALSN-UHFFFAOYSA-N 386.249 2.784 0 40 GFAB O=C(Cc1csc(Cc2ccccc2)n1)N[C@@H]1CCCN(c2ncccn2)C1 46425262 PPMHUMYCXLNVQM-QGZVFWFLSA-N 393.516 2.852 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(N2CCCCC2)nc1 48264979 YMQDVDVNXJMWQR-UHFFFAOYSA-N 396.495 2.625 0 40 GFAB CSc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1 49544663 PXUZEUWHLOACLV-UHFFFAOYSA-N 379.485 2.991 0 40 GFAB Cc1ccc(NCC(=O)N2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 54531002 WWTPREBBRXEPNZ-KRWDZBQOSA-N 393.553 2.983 0 40 GFAB O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 58179953 GZXSDGHWXSCELC-OAQYLSRUSA-N 379.504 2.662 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 58203468 FWILWUBJOPDADA-IBGZPJMESA-N 390.528 2.533 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 58304866 MNLRSGYMQFKPEB-WMZOPIPTSA-N 398.507 2.585 0 40 GFAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2cncc(Br)c2)cc1 67208200 KRDHLFWCQPRREZ-LLVKDONJSA-N 393.237 2.887 0 40 GFAB CN(CC(=O)N1CCN(c2ccccc2O)CC1)c1nc2ccccc2s1 70640858 JDJUAJUJOQHYEJ-UHFFFAOYSA-N 382.489 2.787 0 40 GFAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1ccc2c(c1)OCO2 77198056 NDFKRVBUTVKKSF-UHFFFAOYSA-N 398.341 2.635 0 40 GFAB CC(C)(C)c1nnc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1 79109324 AJTBRYJRWVBGHY-UHFFFAOYSA-N 383.525 2.683 0 40 GFAB CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)nn1 84199754 BFKRYEBVJNUZNR-UKRRQHHQSA-N 393.390 2.745 0 40 GFAB Cc1cc(C)c2c(=O)cc(C(=O)N3CCN(CCc4ccncc4)CC3)oc2c1 95099721 KDUQSJVOKHRSOI-UHFFFAOYSA-N 391.471 2.805 0 40 GFAB C[C@H](OC(=O)c1ccnc(Br)c1N)c1nc2ccccc2c(=O)[nH]1 95448022 GTCKHMYPGGJTQB-QMMMGPOBSA-N 389.209 2.581 0 40 GFAB O=S(=O)(Cc1cccc2cccnc12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 95980112 QXRQYOJRACEOIM-MRXNPFEDSA-N 397.504 2.940 0 40 GFAB O=C(c1cccc2ncccc12)N1CCC[C@@]2(C[C@H](CN3CCOCC3)CO2)C1 96075566 QVELOOZWONSYLM-WZONZLPQSA-N 395.503 2.578 0 40 GFAB Cc1ccc(CN2CC[C@@]3(COCc4c(C)nc(N5CCOCC5)nc43)C2)cc1 96244563 MBQAQYFUUHLNCA-QHCPKHFHSA-N 394.519 2.604 0 40 GFAB O=C(c1ccncc1)N1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 97335206 BVTGICYIMFDCHH-UHFFFAOYSA-N 379.247 2.772 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1I)[C@@H]1C=C[C@@H]2C12CC2 100199643 KXTANTNNZLNZLA-NUZBWSBOSA-N 391.208 2.993 0 40 GFAB O=C(NCc1cc(O)n2nc(-c3cccnc3)cc2n1)c1ccc2ncccc2c1 100744368 GWLUKGMAEGZLGD-UHFFFAOYSA-N 396.410 2.975 0 40 GFAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 101260680 AKVYBWSAHWGHLN-HZPDHXFCSA-N 386.795 2.855 0 40 GFAB Cc1cccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]43)n2)c1 101277476 ZEPNXIUTZSOGPU-SJORKVTESA-N 388.387 2.538 0 40 GFAB O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CC[C@H](C(=O)NCc2ccccc2)CC1 101635835 ZZBJKHKHCMLXJT-HDICACEKSA-N 391.471 2.813 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(F)cc2)cc1C 102702442 UREZEQAUZAHWSP-HSALFYBXSA-N 379.435 2.978 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1N1CCCC1=O 113949737 QWRPXSHAVGQDRR-UHFFFAOYSA-N 394.880 2.954 0 40 GFAB COc1ccc(N(CCCC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 113962579 XBEMALMXTYLSFW-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118913242 SHIBSTMRCDJXLN-HMEFQIBUSA-N 390.520 2.575 0 40 GFAB biogenic,in-vitro O=C1N[C@@H](c2ccc(O)cc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 170594430 JIAMXIWSZJUDBV-XUJVJEKNSA-N 386.351 2.558 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 216232627 DSIYGRBMHLUQRG-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1N1CCCC1=O 216315870 SPEREEUWCWDXCF-UHFFFAOYSA-N 388.489 2.951 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 216358126 ADEWPQZWYPOTES-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1N1CCCC1=O 223888222 QTPAHPAQQVRGAF-UHFFFAOYSA-N 392.452 2.782 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223938557 GHTHTVLASHZAQD-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 224046427 OFBBFKOGOVAKSW-UHFFFAOYSA-N 384.483 2.722 0 40 GFAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 224240023 KXYUGCNZWVCJER-UHFFFAOYSA-N 384.461 2.813 0 40 GFAB CCOc1ccc(C(N)=O)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224830156 KJMSEXZKWJOEKL-UHFFFAOYSA-N 382.869 2.658 0 40 GFAB CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(NC(C)=O)cc1 224898241 KEABNLDLZBFVHZ-UHFFFAOYSA-N 376.434 2.631 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 225379464 KQHLHGYNBHLDIT-CQSZACIVSA-N 390.867 2.891 0 40 GFAB O=C(Cc1ccsc1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225546345 FCNWBMZHXULYPT-UHFFFAOYSA-N 388.518 2.707 0 40 GFAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3c(C)noc3C)CC2)n[nH]c1=O 225549062 SRRGCEOFMRCGPL-UHFFFAOYSA-N 395.463 2.569 0 40 GFAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 257239799 HQUYLWTZHFBLHV-OAHLLOKOSA-N 390.509 2.738 0 40 GFAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 306125899 DFDLGRGLDMYOGS-GGAORHGYSA-N 395.478 2.828 0 40 GFAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 306132623 LOAVJFVCXDCNPF-UHFFFAOYSA-N 385.512 2.876 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 390831311 RERCERJUVQJFHA-AWEZNQCLSA-N 386.429 2.805 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)CCOCC1CC1 506867305 ZGCZSUQOPFKHTA-HNNXBMFYSA-N 389.418 2.779 0 40 GFAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cc(F)ccc1N1CCN(C)CC1 522959330 DGLLUEBNESQSKK-AWEZNQCLSA-N 381.455 2.945 0 40 GFAB CC(C)(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)N[C@@H]1C[C@H]1C1CCNCC1 529340267 RUOJBTXVUPNEOV-WTLGNFPFSA-N 383.540 2.933 0 40 GFAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)c3cccc1c32 540677724 PNIFCIOYZAPUPT-MLGOLLRUSA-N 389.459 2.858 0 40 GFAB O=C(Nc1cccc(N2C(=O)CNC2=O)c1)N1CC[C@H](c2ccc(F)cc2)C1 562309959 FLYUFZPXHFFFPI-AWEZNQCLSA-N 382.395 2.903 0 40 GFAB COCCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1 585100367 UQLPSTQDCMJERW-IFXJQAMLSA-N 388.489 2.957 0 40 GFAB Fc1ccc(OCc2noc(-c3nnn([C@H]4CCNC4)c3C(F)F)n2)cc1 629681413 UNBXQCTYDXSDDQ-JTQLQIEISA-N 380.330 2.518 0 40 GFAB Cc1ccc(CN2CC[C@H](NC(=O)c3cccnc3-c3cnn(C)c3)C2)cc1 634458532 XJHPTOVVRKQYBV-IBGZPJMESA-N 375.476 2.795 0 40 GFAB Cc1cc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)ncn1 1888897059 CJVBZOVPJXMHRC-UHFFFAOYSA-N 396.520 2.999 0 40 GFAB O=C1CCC[C@H]2[C@H](CCN2c2ncnc3[nH]cnc23)N1Cc1ccc(F)cc1 2037844215 PAWYSYMNGABKLF-HOTGVXAUSA-N 380.427 2.652 0 40 GFAB Cc1ccc(-c2csc(NC(=O)Cn3nnc4ccccc4c3=O)n2)cc1 9025603 RKCKTZMUNTYKQS-UHFFFAOYSA-N 377.429 2.862 0 40 GFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)cc1 802437 SQKILWYRKCXWEC-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCOc1ccccc1-n1c(SCC(=O)N(C)C)nnc1-c1ccncc1 905121 OTZVGBCHQCNMQY-UHFFFAOYSA-N 383.477 2.908 0 40 GFAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 1378513 YMNMEQCYSBKZPU-QGZVFWFLSA-N 385.493 2.728 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)CS(=O)(=O)N(CC)c1ccccc1 1758177 IOLHNNNYCMFGGX-UHFFFAOYSA-N 382.507 2.657 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCC[C@H](C(=O)N2CCCCC2)C1 1249701 HIVCGWZQCHWOGQ-INIZCTEOSA-N 376.497 2.937 0 40 GFAB NC(=O)c1c(NC(=O)CSc2ccc3c(c2)OCCO3)sc2c1CCC2 6589894 BZPVKRHYINEYRC-UHFFFAOYSA-N 390.486 2.838 0 40 GFAB O=C([C@@H]1CSCN1C(=O)c1cccc(Oc2ccccc2)c1)N1CCOCC1 25121789 DHJCOUWGENDXLK-IBGZPJMESA-N 398.484 2.853 0 40 GFAB C[C@]1(N2C(=O)O[C@@H](c3ccccc3)C2=O)C(=O)N2CCS[C@]21c1ccccc1 8242271 QCLLWNBOOXMMAP-NDXORKPFSA-N 394.452 2.907 0 40 GFAB CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 8298715 NYGLZCNUURQCNN-UHOSZYNNSA-N 399.514 2.742 0 40 GFAB biogenic,in-vitro O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8423232 UYSQMXUPPDRZCS-UHFFFAOYSA-N 390.530 2.774 0 40 GFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 12631460 QDAGRWAOGFVGRM-UHFFFAOYSA-N 377.418 2.744 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2 53698007 IBZGIWXXFXQGKO-ZDUSSCGKSA-N 379.503 2.618 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 10165636 DTVFIPBSQIKEAN-UHFFFAOYSA-N 380.444 2.899 0 40 GFAB CCCS(=O)(=O)c1nnc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)s1 27664714 HQWFRSZPYYXRCM-GFCCVEGCSA-N 387.458 2.657 0 40 GFAB COc1ccc(CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)c(OC)c1OC 58268104 QLDFWFQMTPGESQ-CABCVRRESA-N 379.501 2.775 0 40 GFAB COc1cc(CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)ccn1 58264542 RUSTXZZSHCADAV-CQSZACIVSA-N 376.407 2.694 0 40 GFAB CC(C)n1nccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 22291371 NNDXYZNFOPYQEG-UHFFFAOYSA-N 388.449 2.788 0 40 GFAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@H](C[C@H]21)[C@@](O)(C(C)C)[C@H]3O 103050406 HRQUJKIMIXCOBO-DVBCYNEPSA-N 380.525 2.919 0 40 GFAB CC1CCN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2C2CC2)CC1 11423451 ALHFIFANUHRXLJ-UHFFFAOYSA-N 394.545 2.566 0 40 GFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1C(=O)[C@@H](C)n1nc(C(F)F)cc1C 100219944 KRVHHXGRZVJXNY-RAIGVLPGSA-N 391.422 2.653 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1[nH]nc(C(F)(F)F)c1-c1ccccc1 72401208 CIFOIZCZSXWZPA-UHFFFAOYSA-N 377.282 2.836 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCOCC2)nc1 12903179 PIKCHWIGMSYZCW-HXUWFJFHSA-N 392.459 2.821 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1C 408552276 LAYLQGJSYUTJFF-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc(Cl)c1)O2 38833853 VMNCWAUBPXZFHW-INIZCTEOSA-N 380.853 2.814 0 40 GFAB C[C@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)n1nnc2ccccc2c1=O 71329028 ANZXAPRSTIBHGI-GFCCVEGCSA-N 395.850 2.846 0 40 GFAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1Cc1cccnc1 39383805 JUOACUJDDWWQJS-UHFFFAOYSA-N 398.470 2.561 0 40 GFAB NC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCCC2 4325513 RLRWDDZYXVGQPF-UHFFFAOYSA-N 392.502 2.528 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]21 4393479 YBRYGQYXAMAWIA-HZPDHXFCSA-N 392.864 2.961 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)CSc1cccc2cccc(Cl)c12 5468748 JOZALSIUKDHCJI-JTQLQIEISA-N 380.853 2.973 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O 6678938 ZJDXBXHEKBWNBM-UHFFFAOYSA-N 377.853 2.845 0 40 GFAB O=C(CCc1ccsc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6800772 ZZNGRIOZKJPCEP-UHFFFAOYSA-N 388.474 2.910 0 40 GFAB CN(C)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(N3CCCC3=O)cc2)C1 67203776 WUCHYHGFAUBWIM-IBGZPJMESA-N 393.487 2.712 0 40 GFAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cccc(F)c1)CC3 67349958 OARGEEJXRUJLQI-UHFFFAOYSA-N 395.434 2.981 0 40 GFAB CC1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 7389267 ULOJNKBFAGZKFK-MRXNPFEDSA-N 379.526 2.530 0 40 GFAB COc1cc(OC)c(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)cc1Cl 15826700 UMTZEQKUQLLTNW-LLVKDONJSA-N 375.812 2.744 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 7587528 VXIOGICZQRIDIM-LLVKDONJSA-N 377.366 2.610 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 8303813 UZAJQXGPCYNHAS-CYBMUJFWSA-N 397.884 2.734 0 40 GFAB CCOc1ccc(NC(=O)c2c(O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 18169707 VEQDXDBMPFIGKC-UHFFFAOYSA-N 384.388 2.902 0 40 GFAB CCOc1ccc(CC(=O)OCC(=O)NCCc2ccccc2)cc1OCC 72330883 HKKWEUVDGXZXDS-UHFFFAOYSA-N 385.460 2.929 0 40 GFAB Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1 23435743 IKUWKKFPXYIVAG-UHFFFAOYSA-N 375.324 2.760 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 67086186 QEPWBSVXFQMWCP-INIZCTEOSA-N 380.444 2.955 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)[C@@H](c2ccccc2)CO1 528334381 BEIPJBRMCRKDSF-DGCLKSJQSA-N 389.399 2.590 0 40 GFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218564039 ITJLHESTTAYOET-ZJOUEHCJSA-N 387.501 2.697 0 40 GFAB CC(=O)N1CC[C@H](NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)c2ccccc21 534572272 KIGLKZVYFISOCX-RBBKRZOGSA-N 391.471 2.574 0 40 GFAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)n1cnnn1 32768076 HDVPVQUHZGCFIJ-HNNXBMFYSA-N 377.326 2.994 0 40 GFAB CCN(CC)C(=O)CN1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)n2)C1 72374840 AYFLOVHWNQSKAC-QGZVFWFLSA-N 382.512 2.971 0 40 GFAB CCCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 36022414 OFLRPYHPMLVCGF-UHFFFAOYSA-N 394.541 2.546 0 40 GFAB CN1CCN(C(=O)c2ccc(CNC(=O)c3cc4cccnc4s3)cc2)CC1 566049768 BLYLUBDXXCHHEJ-UHFFFAOYSA-N 394.500 2.614 0 40 GFAB CC(=O)N1CCN(C(=O)c2sc3ccccc3c2[C@H]2CCN(C(C)=O)C2)CC1 72356271 XHTYRXLIRXONEN-INIZCTEOSA-N 399.516 2.541 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCCN2CCCC[C@H]12 85879450 FFEYSIPRSWWECA-QFBILLFUSA-N 382.508 2.627 0 40 GFAB biogenic COc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225951390 VJRNMBGBMRQFNN-MRXNPFEDSA-N 382.869 2.968 0 40 GFAB Cc1ccc(C(=O)NCc2ccccc2F)cc1N1CCCCS1(=O)=O 224514854 SFIFSUQKVLEOJL-UHFFFAOYSA-N 376.453 2.994 0 40 GFAB Cc1sc2ncn(CCC(=O)N3CCN[C@H](c4ccccc4)C3)c(=O)c2c1C 582948716 LQYGMOZJYWTKBI-KRWDZBQOSA-N 396.516 2.638 0 40 GFAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)cc1F 96238134 VVARUAIFNKWOOM-HXUWFJFHSA-N 387.480 2.759 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)C(=O)O 98037978 NRIJKXQFZNYSEO-APPDUMDISA-N 392.477 2.985 0 40 GFAB CC(C)n1cnc2c1[C@@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 96265048 BGHKIHRHKMQDJJ-NRFANRHFSA-N 390.491 2.670 0 40 GFAB CCNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1OCC1CC1 585081091 KJIDMQDXVSYFAZ-MRXNPFEDSA-N 398.500 2.684 0 40 GFAB COC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 64001616 HSDLJYNMGIQRGW-BBRMVZONSA-N 379.412 2.715 0 40 GFAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257274284 NKJCRDOTCLGDFY-MRXNPFEDSA-N 398.394 2.973 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)cnc2c1 1629294714 FBIMIWLZUHHVNJ-UHFFFAOYSA-N 382.464 2.607 0 40 GFAB O=C1CC[C@@H](c2cccc(NC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)c2)N1 627756854 CMVXJXXHJBAHNF-MJGOQNOKSA-N 377.444 2.739 0 40 GFAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)CCC2CCCC2)CCO1 585282293 CSVAUEYJGCBJTL-OAQYLSRUSA-N 392.471 2.648 0 40 GFAB CC[C@](C)(CO)NC(=O)Nc1ccc(C)c(NC(=O)N[C@](C)(CC)CO)c1 72289104 MLXNADXKIGOFHN-RTBURBONSA-N 380.489 2.560 0 40 GFAB CC(C)CCOCCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 54912614 CDEXDIMCLDGPRN-UHFFFAOYSA-N 376.478 2.527 0 40 GFAB Cc1cc2n(n1)C1(CCN(C(=O)Nc3ccc(F)cc3F)CC1)CC(=O)N2C 1772596086 AZKWERNKQBAUGX-UHFFFAOYSA-N 389.406 2.859 0 40 GFAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 12239289 ILEIFNNAOFXNKE-SFHVURJKSA-N 376.526 2.624 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)C[C@H](C)O1 12999733 VYZCNYUIVOISED-KBPBESRZSA-N 392.452 2.876 0 40 GFAB CCOc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O 13676086 KZDADKDLRQJQGQ-UHFFFAOYSA-N 388.489 2.831 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713286 SEKCMJUQPRKOPL-IBGZPJMESA-N 390.505 2.865 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 19403323 BDKQBYXACJRIQH-ZDUSSCGKSA-N 388.424 2.839 0 40 GFAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)c2ccccc2)C3)C1 19459355 MTMOQBBPUCJNDV-QAPCUYQASA-N 378.476 2.501 0 40 GFAB COc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)ccn1 19550287 SNPOYMVYTPMYGE-AWEZNQCLSA-N 396.472 2.922 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)c(OC)c1 19551912 QWZIIDUWPIRSEQ-OAHLLOKOSA-N 393.443 2.960 0 40 GFAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCN(C(=O)c2cc[nH]n2)CC1 19749086 DRSKBSWEHGQBBP-GFCCVEGCSA-N 395.385 2.557 0 40 GFAB COc1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 4583295 HJWIALWVKKQJLW-UHFFFAOYSA-N 395.507 2.828 0 40 GFAB CCC(CC)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 11665779 JKPVQNZARYYXSD-UHFFFAOYSA-N 393.495 2.604 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)CCC3)cc1 3359076 GXBCUPLEAHLHOU-UHFFFAOYSA-N 381.461 2.890 0 40 GFAB Cn1ccnc(N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)c1=O 1889005206 SNGVJBYGEUEIBO-UHFFFAOYSA-N 399.458 2.565 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1c2ccccc2CC[C@@H]1C 22061220 ZNNYEHLCMZOZFQ-YWZLYKJASA-N 398.459 2.945 0 40 GFAB Cc1nc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cs1 2037977785 HFUGXLMWVKJKFR-LJQANCHMSA-N 375.469 2.989 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]12 1614936212 ZDNBFDFJDYTQLX-UQGYEQTKSA-N 383.473 2.516 0 40 GFAB O=C(c1ccnc(C(F)(F)F)c1)N1CCc2ncnc(NC3CC3)c2CC1 1565555475 IQZMOYNZQTUYPE-UHFFFAOYSA-N 377.370 2.706 0 40 GFAB Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)NC[C@H]2CCCO2)cc1 1020515 ODQMWHHXLIWCGB-MRXNPFEDSA-N 387.505 2.864 0 40 GFAB COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(C(C)=O)C2 4281125 VXWAKHDAOFAZNU-UHFFFAOYSA-N 394.399 2.970 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2OC)n(C)c1=O 5252127 IJJJGWJKMHDSGA-UHFFFAOYSA-N 397.479 2.556 0 40 GFAB CCNC(=O)c1cnn2c([C@@H]3CCCN(C(=O)[C@]4(C)CC=CCC4)C3)ccnc12 2055738758 OQRNNWRWALLQOI-OPAMFIHVSA-N 395.507 2.931 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19210913 DTJSXBCMEUHDJS-SJORKVTESA-N 380.492 2.604 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)c2cc(OC)cc(OC)c2)CC1 40089821 CAFYOJXNFAGQFA-UHFFFAOYSA-N 397.519 2.771 0 40 GFAB O=C(Nc1cccc(N2CCNC2=O)c1)N1CCN(c2ccc(F)cc2)CC1 40120459 YTZMXFBUASPZIB-UHFFFAOYSA-N 383.427 2.709 0 40 GFAB O=C1c2ccccc2-c2nn(CN3CCN(c4ncccn4)CC3)c3cccc1c23 32777826 FFLLQXILFXRFLH-UHFFFAOYSA-N 396.454 2.817 0 40 GFAB O=C(NC1CCCC1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325325 FEYFOBHWGLNYEG-CYBMUJFWSA-N 379.507 2.644 0 40 GFAB CCOc1ccccc1N1C(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C(=O)N=C1O 9009651 SSDCBVOMUXLWJU-JOCHJYFZSA-N 393.443 2.860 0 40 GFAB O=C1N[C@@H](c2cccc(F)c2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 715239 ONSSMENOOLOIFH-JKIFEVAISA-N 382.313 2.930 0 40 GFAB O=C(NCCSCc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 54541627 LJABNYUTLIDYGI-MRXNPFEDSA-N 378.519 2.559 0 40 GFAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCn2c(nnc2C(F)(F)F)C1 79501621 PUWMWEKXZUDCFQ-UHFFFAOYSA-N 391.353 2.927 0 40 GFAB CC(C)CN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 105728486 INIFLNBTIYEZSM-QFBILLFUSA-N 398.511 2.927 0 40 GFAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)NCc2ccco2)c(OC)c1 4169751 OOWFXNSFZDCAJZ-FOEVPDMQSA-N 396.443 2.990 0 40 GFAB Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 71288710 UJHOXDMMTZDDQI-AWEZNQCLSA-N 381.823 2.858 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1 6763103 FGSJMWAWISAJCR-INIZCTEOSA-N 382.485 2.866 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7232448 FEBROLXEZINRKI-NVXWUHKLSA-N 396.443 2.787 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1 10678344 LUIWKDYFQHJHIR-UHFFFAOYSA-N 397.460 2.785 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CC[C@@H]2CCCC[C@@H]2C1 9155962 BAHVXDOUBXOSCJ-DLBZAZTESA-N 391.475 2.621 0 40 GFAB O=C(CCc1nc(-c2cccnc2)no1)NCCOc1ccc2c(c1)CCC2 56009386 FOWKZOZZZRCQTK-UHFFFAOYSA-N 378.432 2.748 0 40 GFAB O=C(c1ccc(-n2cnnn2)cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57129255 ZRSWOANCVMPEJQ-UHFFFAOYSA-N 378.823 2.996 0 40 GFAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20044873 AGCOYFDVOVIPMC-HNAYVOBHSA-N 388.489 2.708 0 40 GFAB CC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 100877276 PKWBVJMEOIWQRL-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccccn2)C3)c(OCC)n1 100149669 ZRQLLEXZCAPFMM-IAGOWNOFSA-N 398.507 2.789 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 12769793 VUFQQDDTGRYVMO-SFHVURJKSA-N 391.515 2.993 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(c2nc3ccccc3o2)CC1 12774879 KYVFKYLBKDDWAZ-UHFFFAOYSA-N 397.378 2.756 0 40 GFAB CCc1cc(N2CCC(NCC(C)(C)NC(=O)OC(C)(C)C)CC2)ncn1 95467220 IOCGTGFRZNCWGS-UHFFFAOYSA-N 377.533 2.901 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 2372542 MWOZVXVYAQMPCD-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C[C@H]1OCCc2ccsc21 89346574 ADBXTJHCFBKPNH-GFCCVEGCSA-N 375.475 2.709 0 40 GFAB Cc1cc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 3381896 LOJJYOFTLWLWDS-CQSZACIVSA-N 378.519 2.589 0 40 GFAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(S(=O)(=O)C(F)(F)F)cc1 106531590 ZKWKVPPNGLDRJR-SWHYSGLUSA-N 376.400 2.603 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c(OC)c1 3385806 NLZMWZSVLRWMQN-UHFFFAOYSA-N 377.824 2.873 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\C=C\c3ccc(OC)cc3)C2=O)o1 107839346 RCCXPULZIZBJJU-MJPUSMOISA-N 382.372 2.724 0 40 GFAB O=C(NCc1ccccc1N1CCOCC1)N1CCO[C@H](c2ccccc2)C1 62562216 SAGJSOJQIBPLBW-NRFANRHFSA-N 381.476 2.806 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)CCc2nnc(-c3ccccc3)o2)ccn1 47013771 YTKGAHUFUYWZRQ-UHFFFAOYSA-N 388.431 2.875 0 40 GFAB CCN(CC)CCn1c(S)nc2cc(C(=O)NCCC(C)C)ccc2c1=O 20645291 VZOSZRUJMFXHOJ-UHFFFAOYSA-N 390.553 2.803 0 40 GFAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 12998329 SVTZFXDZILDOPW-OAHLLOKOSA-N 390.530 2.990 0 40 GFAB COc1ccc([C@@H](NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)C2CC2)cc1 12932913 QPDTXUORMNYSHY-NSHGMRRFSA-N 384.476 2.828 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)cc1 12974532 QMRZVGGZJCYDCV-LJQANCHMSA-N 395.503 2.854 0 40 GFAB CC1(C)OC(=O)C(Cl)(CC(=O)c2ccc(Br)cc2)C(=O)O1 3663193 TWSAAORAWFLYSA-UHFFFAOYSA-N 375.602 2.836 0 40 GFAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)NCc2ccc(F)cc2)c1C 71327408 JSMFJBCOASRJOB-UHFFFAOYSA-N 399.401 2.742 0 40 GFAB COc1ccccc1S(=O)(=O)N[C@H]1CCCc2cn(CC(F)(F)F)nc21 96002783 UFWOUZLGJORCOH-LBPRGKRZSA-N 389.399 2.810 0 40 GFAB O=C(NCCN1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccccc2)C1 49132975 NVFIZVXCJUTKPA-IBGZPJMESA-N 378.520 2.870 0 40 GFAB COC(=O)c1c(NC(=O)C2=Cc3ccccc3OC2)sc2c1CCN(C)C2 26786586 YTXCOJOOWQKTKO-UHFFFAOYSA-N 384.457 2.937 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccnc1Nc1cccc(C(F)(F)F)c1 39998308 CODSYFUSDWEQHZ-CYBMUJFWSA-N 399.394 2.761 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1nc(C)c(C)s1 14076030 OHNMOLUWMIHJIB-UHFFFAOYSA-N 390.494 2.865 0 40 GFAB CCCN1CCC(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)CC1 65541662 QWLZBGKMWFURQL-UHFFFAOYSA-N 388.537 2.564 0 40 GFAB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)c(OC)c1 5396573 ZGJSUNCJNFILDC-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB O=c1c2cc(Br)ccc2ncn1C[C@@H](O)COc1ccc(F)cc1 14183553 BSLICPHXUFFFOO-CYBMUJFWSA-N 393.212 2.738 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)CCOc3ccccc32)cc1C 6585126 XNWMPGRAOTVLRC-UHFFFAOYSA-N 382.416 2.601 0 40 GFAB Cc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1 14508046 LNASEGBGFMKVRK-UHFFFAOYSA-N 378.519 2.700 0 40 GFAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCCc1c[nH]c2ccc(F)cc12 9421219 MWRBVMVJLAYJRQ-SNVBAGLBSA-N 384.440 2.813 0 40 GFAB COc1cc(Br)c(Cn2nnc3ccccc3c2=O)cc1OC 7833457 RWJBNGAFBFVPRI-UHFFFAOYSA-N 376.210 2.620 0 40 GFAB CC(=O)N1CCC[C@@H]1c1nc(C(=O)N(C)Cc2ccccn2)c2ccccn12 306129212 HXOUOEMPVIMDHO-GOSISDBHSA-N 377.448 2.685 0 40 GFAB COc1cc2c(cc1NC(=O)CSc1nnc(C)n1N)oc1ccccc12 8139897 WGNZHOMIIWVPFI-UHFFFAOYSA-N 383.433 2.939 0 40 GFAB O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CN(Cc1ccccc1Cl)CN2 19938935 VYZVGNWSZJSDDX-UHFFFAOYSA-N 382.851 2.624 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)NCc3cccnc3OCC(F)(F)F)C2)n1 69421216 OJRNVQHAFGRXEU-ZDUSSCGKSA-N 399.373 2.803 0 40 GFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 20495666 ZNWGPLVSBGDJLL-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 8638360 NZLHGTQLUPDCPH-CQSZACIVSA-N 394.431 2.749 0 40 GFAB COc1cc(OC)c(C(=O)c2ccccc2)cc1/C=C1/C(=O)N(C)C(=S)N1C 409039449 RBWIMRSQWLSXIA-WJDWOHSUSA-N 396.468 2.964 0 40 GFAB CC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 306127268 FTPAHUVHHXMAHO-SIKLNZKXSA-N 395.507 2.614 0 40 GFAB O=C(N[C@H]1CCN(C2CCCC2)C1)[C@H]1CCCN(C(=O)c2cccs2)C1 89799907 FIANRUOZJRHWAN-HOTGVXAUSA-N 375.538 2.733 0 40 GFAB O=C(c1ccccc1F)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306127914 GKLVKOCFKWBPQQ-WOJBJXKFSA-N 390.418 2.744 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1556945943 CUURSLWPVCUWKE-SOVGHPHASA-N 397.393 2.992 0 40 GFAB Cc1c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2cc(O)c(Cl)cc12 11865406 QOLLHVWXVJIFRI-MRXNPFEDSA-N 381.812 2.618 0 40 GFAB biogenic COc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c(OC)c1 61342095 ATMAETUQUPKJFE-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB Cc1cccc(C(=O)N2CCCC2)c1NS(=O)(=O)c1csc(C(=O)O)c1 515693184 IWCCDILUIKKFKP-UHFFFAOYSA-N 394.474 2.792 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCCCCC1 408535812 WUPJYQVSCWJSLV-UHFFFAOYSA-N 380.510 2.561 0 40 GFAB COc1cc2ncn(CCC(=O)Nc3cccc(C(C)=O)c3)c(=O)c2cc1OC 36365321 GHGFZCLSOYACCH-UHFFFAOYSA-N 395.415 2.645 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1Cl)C(C)C 36589969 BCDYBLVLTJRNJH-NVXWUHKLSA-N 390.871 2.918 0 40 GFAB C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 32899549 DWJLHYNMKHORFE-XXWNAHEMSA-N 391.537 2.944 0 40 GFAB CCc1ccccc1N(CC(=O)NCCSC1CCCC1)S(C)(=O)=O 225778514 OWERHBJMIMCFAR-UHFFFAOYSA-N 384.567 2.807 0 40 GFAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 224588876 COYLDRMFJFYSIP-LLVKDONJSA-N 382.511 2.871 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(F)c1 570415099 PGZKPAVACLSLLW-ZDUSSCGKSA-N 394.390 2.668 0 40 GFAB CC(C)c1ccc(-c2nnc(NC(=O)CN3C(=O)NC(C)(C)C3=O)s2)cc1 49590313 UFLMVOAIGYLHLI-UHFFFAOYSA-N 387.465 2.597 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 224757791 JQOMVDUYCDMVEV-LBPRGKRZSA-N 398.431 2.617 0 40 GFAB O=C1N(c2ccc3c(c2)OCO3)CC12CCN(Cc1ccc3c(c1)OCO3)CC2 96202972 INNPVRINIBCCQH-UHFFFAOYSA-N 394.427 2.773 0 40 GFAB Cc1cccc(NC(=O)N2CCC3(CC2)C[C@H](NC(=O)c2ccccn2)CO3)c1 96221127 FZLSCINVTFFNMD-SFHVURJKSA-N 394.475 2.975 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(C)cc(-c4nccn4C)n3)C2)cn1 257272274 NBSXRNQCNZAJSH-KRWDZBQOSA-N 376.464 2.909 0 40 GFAB COc1cc2c(cc1CN1CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 257231726 GHYKYRUFJOMNJK-QGZVFWFLSA-N 382.508 2.988 0 40 GFAB O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CCC[C@@](O)(Cn2ccnn2)C1 671471824 LLDXVZXUSXZKGF-KRWDZBQOSA-N 394.262 2.734 0 40 GFAB Cc1nc(C)c(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)s1 90607896 UGKNURZEEDDBSS-UHFFFAOYSA-N 395.492 2.651 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 585090818 ONVGQLWHJIOYIP-WCQYABFASA-N 380.388 2.712 0 40 GFAB Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cn1 681287076 CGRPIQOVTLDIFO-JTQLQIEISA-N 390.328 2.812 0 40 GFAB CN(C)Cc1noc([C@@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)n1 1775963836 GFAJYPGCDFDICR-ZDUSSCGKSA-N 384.358 2.894 0 40 GFAB biogenic,in-vitro CN1C(=O)C[C@@H](C(=O)Nc2cnc(-c3ccccc3)s2)[C@H]1c1ccnn1C 516589686 GEHWWUHFEOTRCU-DYVFJYSZSA-N 381.461 2.702 0 40 GFAB COC(=O)c1ccnc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 600232671 LFVLCVXPWUQACU-IUODEOHRSA-N 380.322 2.533 0 40 GFAB CC1(C)CC(=O)C(C(=O)CCCCC(=O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 100126244 WYLIIXXBYSXLGN-UHFFFAOYSA-N 390.476 2.834 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1C 102401748 PVPRATYXKQTLJI-STQMWFEESA-N 392.477 2.737 0 40 GFAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC 5557149 ODNFCFDURUTWSW-LJQANCHMSA-N 395.411 2.656 0 40 GFAB COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(C#N)c1 11216923 DOYKRLOFMYGBSE-SFHVURJKSA-N 378.457 2.998 0 40 GFAB COc1ccc(OC)c([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)c1 11694825 GVYXQJVKXAKNHC-ZNOIYHFQSA-N 393.447 2.954 0 40 GFAB CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1nc2ccccc2c(=O)[nH]1 12890205 XIWATTCTUSYBOI-UHFFFAOYSA-N 395.850 2.607 0 40 GFAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)CCn2cccn2)CC1 19530730 JPRXXKSBFQRWOR-UHFFFAOYSA-N 390.871 2.905 0 40 GFAB COc1cc(C)c(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1OC 19567094 JMLXGFHLHDHSIB-UHFFFAOYSA-N 392.459 2.716 0 40 GFAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)Cn1nc(C)cc1C)C2 19573396 LRAIWMVRLTYBLE-OAQYLSRUSA-N 383.492 2.889 0 40 GFAB CCn1nccc1C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 19705838 SPXNHUXPCHUDPH-UHFFFAOYSA-N 395.507 2.990 0 40 GFAB Cc1c(C(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)[nH]c2ccccc12 19708983 ODPPCKCFFCDKGX-UHFFFAOYSA-N 392.507 2.576 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 19867647 OQNMQDLVZAHZJL-HQRMLTQVSA-N 390.549 2.842 0 40 GFAB CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CC[C@H](C)C2 19902483 IDQGBMNAMAIMHE-ZDUSSCGKSA-N 380.510 2.710 0 40 GFAB O=C(NCC1(N2CCSCC2)CCOCC1)c1ccccc1Br 1888844464 OHVNNBFVGHECGW-UHFFFAOYSA-N 399.354 2.777 0 40 GFAB Cn1nccc1-c1ccc(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)o1 1888979661 WMFRCBIGSRGPRB-UHFFFAOYSA-N 392.337 2.954 0 40 GFAB Cn1c(N2CCN(c3nc4ccccc4s3)CC2)nc2ccccc2c1=O 1889007121 GIPFFIHUOXMVQH-UHFFFAOYSA-N 377.473 2.870 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)c(C)c1 20488850 WENKZTZJTLKIHC-UHFFFAOYSA-N 383.835 2.908 0 40 GFAB O=C(CSc1ccc(F)cc1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 238830695 FVKQLVJZOVZZDF-INIZCTEOSA-N 388.420 2.754 0 40 GFAB CN(C)c1ncc(-c2ccsc2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 2037849788 KGKAIDFCQUBNIM-HNNXBMFYSA-N 396.520 2.874 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccc(F)cc5F)C[C@H]4C3)n1)CCC2 2087000755 OGRHNRPPSBZLPQ-ZIAGYGMSSA-N 384.430 2.760 0 40 GFAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)c2c1 5931615 DLZYRVXQTUAENM-UHFFFAOYSA-N 397.500 2.828 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)c1 7388012 YRAIGPNZEGSRGA-UHFFFAOYSA-N 391.478 2.576 0 40 GFAB O=C(c1cc(-c2ccccc2)on1)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775974604 XJAASUPIPIZPNP-UHFFFAOYSA-N 399.410 2.657 0 40 GFAB COCCCn1c(C(=O)N[C@H]2CCCC[C@@H]2C)cc2c(=O)n3ccccc3nc21 33550939 UIICERZORLVKOM-RDJZCZTQSA-N 396.491 2.994 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3C)CC2)s1 44443743 WSWMJHGFVXLNPO-UHFFFAOYSA-N 390.534 2.708 0 40 GFAB O=C1CN(C(=O)c2ccc(OCc3nc(-c4ccco4)cs3)cc2)CCN1 49032362 DJJJZDWHZLBVCR-UHFFFAOYSA-N 383.429 2.554 0 40 GFAB CN(C)c1nc(CNC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCCC2)n1 575607772 QICLZWZZULALMD-UHFFFAOYSA-N 393.854 2.652 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)c(C)c1 390830430 LBYJEJOOCSRQAE-UHFFFAOYSA-N 388.493 2.622 0 40 GFAB CC(C)c1nc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)cn1C 575610132 KOONYDASVFIUBB-ZDUSSCGKSA-N 395.506 2.877 0 40 GFAB CCOC(=O)CCC(=O)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596887 KVUYFOMUDDOINQ-HNNXBMFYSA-N 389.427 2.849 0 40 GFAB O=S1(=O)CC[C@H](N2CCN(Cc3ccccc3Oc3ccccc3)CC2)C1 20955382 XWPNOZUOIATOQT-IBGZPJMESA-N 386.517 2.784 0 40 GFAB C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCCc2ccccc21 32707901 VAUPSNFLYXKURP-AWEZNQCLSA-N 387.457 2.615 0 40 GFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 102343624 XOLGKLPXIXNUFJ-CALCHBBNSA-N 393.409 2.736 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 32863303 KKGRXJPBPSRVAG-YLJYHZDGSA-N 375.513 2.980 0 40 GFAB CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 32935301 VNOCSQHIJPABFK-UHFFFAOYSA-N 377.422 2.716 0 40 GFAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N(C)C)CC1 32911880 FZNFROOTOHMXNW-UHFFFAOYSA-N 391.331 2.563 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1 22238403 CFXMRVLEVJYQCO-UHFFFAOYSA-N 379.507 2.785 0 40 GFAB NC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 53895189 BVMDZGKEMYBEMV-LBPRGKRZSA-N 390.237 2.584 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(OC)cc2OC)cc1 892169 ZUPZKHACIADVGQ-UHFFFAOYSA-N 386.433 2.663 0 40 GFAB Cn1cc(CN2CCCN(C(=O)Nc3cccc(Br)c3)CC2)cn1 79110534 SYTGYXNVVUFFBT-UHFFFAOYSA-N 392.301 2.922 0 40 GFAB CCOC(=O)c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)s1 1705041 SVMIFOVGASKLDJ-UHFFFAOYSA-N 383.447 2.513 0 40 GFAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1C(N)=O 2739741 LRKPYDZVBOBEDJ-MNOVXSKESA-N 396.465 2.550 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1 9058160 CJTZHTQDWPZMMF-UHFFFAOYSA-N 389.429 2.501 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)OCC(=O)c1cccc2ccccc12 7787052 PMZFQZWJLKTATJ-UHFFFAOYSA-N 391.379 2.724 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)c2ccccc2O1 24857525 MPXLJTYONYPFCE-CQSZACIVSA-N 379.338 2.563 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)C3CCN(C(=O)OCC(F)(F)F)CC3)cc12 25163938 RDHJXZDRGFWJKS-UHFFFAOYSA-N 399.373 2.626 0 40 GFAB CCN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 34889282 PCUDABLWMZQOAH-IBGZPJMESA-N 390.487 2.939 0 40 GFAB COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3ccccc3c2)cn1 8191493 JBIILPGYTNUPTL-UHFFFAOYSA-N 399.472 2.941 0 40 GFAB CNC(=O)c1ccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 8423951 ZWBANIFJTXBBDF-UHFFFAOYSA-N 383.492 2.707 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)n2ncnc2N1 1411064 BPEIVCKTPCGRSA-SFHVURJKSA-N 375.388 2.934 0 40 GFAB C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@H](c1ccccc1)N1CCOCC1 25701922 FHUVOJOTRPMAQI-KSFYIVLOSA-N 392.455 2.985 0 40 GFAB O=C1O[C@H](C(=O)NCc2ccc(N3CCCCCC3)nc2)Cc2ccccc21 48249380 BWLRAKCSPVZFFK-IBGZPJMESA-N 379.460 2.860 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1Br 9054407 QUBHBWIXAZZCTJ-BNOWGMLFSA-N 391.265 2.578 0 40 GFAB COc1cc(OC)c(NC(=O)CN2CCN(c3nccs3)CC2)cc1Cl 57463574 RYNCTUCJULKVIO-UHFFFAOYSA-N 396.900 2.574 0 40 GFAB CCCOC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O 1911919 ZVLUQIUSDZKKKS-UHFFFAOYSA-N 385.445 2.972 0 40 GFAB Cc1nn(C)c(C(=O)NCc2cccc(N3CCCC3=O)c2)c1Br 58023041 BDFYTGZLDLWNBJ-UHFFFAOYSA-N 391.269 2.548 0 40 GFAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN[C@H]2CCS(=O)(=O)C2)cc1 10030193 MXUCZKPBVIAOEB-ZWKOTPCHSA-N 397.581 2.917 0 40 GFAB CCCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 22396947 FWLJYNOBZFJHBV-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB CCCS(=O)(=O)c1nnc(NC(=O)c2ccc(OC)c(Cl)c2)s1 27580351 JXGHLWBIVJPBQD-UHFFFAOYSA-N 375.859 2.636 0 40 GFAB CC(C)(C)SCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20044332 VERSHXZKFLPAHS-UHFFFAOYSA-N 384.567 2.874 0 40 GFAB CCNC(=O)C1(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)CCCCC1 58409160 KVUWUXALTIIRLQ-UHFFFAOYSA-N 392.931 2.907 0 40 GFAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cnc2sccn2c1=O 28234045 ALKKBRXOBXQCPU-UHFFFAOYSA-N 385.836 2.907 0 40 GFAB COc1ccc(-c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)cc1OC 2394009 WZEZLVBHPHQSTP-SXGWCWSVSA-N 383.404 2.522 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccc(Cl)cc3)c(-c3ccccc3)cn21 2364279 UGXLACLNDFCBLJ-UHFFFAOYSA-N 391.818 2.986 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2 11865974 NDNHQPBJEBIUGZ-KRWDZBQOSA-N 380.444 2.642 0 40 GFAB biogenic COc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O 20107128 JUZUWEXKKICJGX-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccccc2Br)cc1 20151753 ZHPFIYQKYLFNHP-UHFFFAOYSA-N 393.262 2.952 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 12196541 NCVGXDBQLQJWFZ-HNNXBMFYSA-N 382.869 2.650 0 40 GFAB O=C(NCCNC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)no1 12374952 JNFKLJLOYVYJAK-UHFFFAOYSA-N 376.825 2.611 0 40 GFAB O=C(CN1CCN(C(=O)c2cccc3ccccc23)CC1)NCc1ccccc1 12903868 AQNJKKIZTNMCCM-UHFFFAOYSA-N 387.483 2.914 0 40 GFAB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 13011457 KKNNJZZOVJDTNZ-LIRRHRJNSA-N 375.494 2.607 0 40 GFAB CC(=O)c1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1 13004289 VVXDSSARDUEBLC-UHFFFAOYSA-N 386.473 2.672 0 40 GFAB CCc1c(C)sc2nc(SCC(=O)N(C)C)n(C[C@H]3CCCO3)c(=O)c12 9181650 JRSAFMJVCLRNJM-GFCCVEGCSA-N 395.550 2.688 0 40 GFAB CC(C)OCc1cccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)c1 49150690 JRZFSHMTONXYEF-UHFFFAOYSA-N 381.432 2.745 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)C1 63468434 VDFWEIAIOALKMS-UMVBOHGHSA-N 376.428 2.836 0 40 GFAB COc1ccc(NC(=O)c2nnn(-c3cccc(SC)c3)c2N)cc1OC 13552927 BNMMPMDBORCSOF-UHFFFAOYSA-N 385.449 2.841 0 40 GFAB CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22271130 LXSGBDDZPHZQFR-IBGZPJMESA-N 390.505 2.501 0 40 GFAB Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2C(F)(F)F)no1 5015524 VJBFBAQGLCRWGM-UHFFFAOYSA-N 384.343 2.708 0 40 GFAB CCNC(=O)NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)[nH]1 4485395 BCGJRUWAGBKUTE-UHFFFAOYSA-N 394.503 2.651 0 40 GFAB COc1cccc(CN(C(=O)/C=C/c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 4584377 IATFLCWKNTUPQK-VYENPZKTSA-N 385.485 2.924 0 40 GFAB O=C(Cc1csc(-c2ccccn2)n1)OCC(=O)N1CCc2sccc2C1 14280444 PXUMQPARPVSONY-UHFFFAOYSA-N 399.497 2.937 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2o1 5633393 SNJBIGLSARYXTG-UHFFFAOYSA-N 386.429 2.706 0 40 GFAB C[C@@H]1CCCCN1C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 6947449 RAVKUWKOHRKEES-CQSZACIVSA-N 379.507 2.739 0 40 GFAB CCCCCCn1c(CN2CCCC[C@@H]2CC)nc2c1c(=O)n(C)c(=O)n2C 4930533 RDOFFCDFDMKXHS-INIZCTEOSA-N 389.544 2.779 0 40 GFAB CC(C)c1ccc(-c2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 7064819 GUNAMQDFALXIOX-UHFFFAOYSA-N 395.488 2.729 0 40 GFAB CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc2ccc(OC)cc2[nH]1 7219958 JAXAHRVFKDBWQB-OAHLLOKOSA-N 377.466 2.608 0 40 GFAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccccn2)CC1 89396280 OBZDKJMWXMCYGP-QGZVFWFLSA-N 388.855 2.799 0 40 GFAB CC(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 16183539 OTKCRCFYOVYJSS-UHFFFAOYSA-N 382.265 2.580 0 40 GFAB CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)ccc1O 16806393 WJKUGYCYYBNIGN-LJQANCHMSA-N 395.411 2.825 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)COc1ccc3ccccc3c1)C2=O 8278623 XHQZLZRQGUFYBR-UHFFFAOYSA-N 381.432 2.751 0 40 GFAB CN(C)CCn1cc(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)cn1 84240995 INFYDUKETSMZRD-UHFFFAOYSA-N 389.525 2.913 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 408609364 NCQSXHTTWWXNOJ-SFHVURJKSA-N 388.533 2.628 0 40 GFAB COC(=O)c1ccccc1NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC 11766771 XICFDKXZTOTYHA-SFHVURJKSA-N 395.415 2.860 0 40 GFAB biogenic COc1ccc(NC(=O)Cn2c(=O)c3nnc(C)n3c3ccccc32)cc1Cl 64871475 GWOONSCNVXJQOV-UHFFFAOYSA-N 397.822 2.653 0 40 GFAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409391366 NSFDESNEUVMZTM-UHFFFAOYSA-N 394.880 2.606 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224171785 KZEKFFFFSIDVIX-UHFFFAOYSA-N 394.468 2.807 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38834320 OKUNUHYOTYQMNL-SFHVURJKSA-N 390.461 2.559 0 40 GFAB CC(C)C[C@H]1COCCN1C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 512453820 LFALHBIXODIJBH-CABCVRRESA-N 393.450 2.776 0 40 GFAB COc1ccccc1C(=O)NC(C(=O)NCCc1nc2ccccc2[nH]1)=C(C)C 37866187 RCWIPRGIZKLVPW-UHFFFAOYSA-N 392.459 2.954 0 40 GFAB Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1C 524734327 UAASCYGIXKFFRA-UHFFFAOYSA-N 385.851 2.792 0 40 GFAB O=C(NC1CCCC1)c1cc(NC(=O)c2nccnc2C(=O)O)ccc1Cl 71285248 WDVVBSYKHDCKMX-UHFFFAOYSA-N 388.811 2.753 0 40 GFAB O=c1c(N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)nccn1C1CC1 565814749 IPKKHUQZTBDESF-CYBMUJFWSA-N 383.402 3.147 0 40 GFAB CC[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc2C1 32446351 ZIJFPXMHGVHZSF-IBGZPJMESA-N 386.517 2.657 0 40 GFAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cnns3)c2C)c1 568183728 VCKOSIPGTULAJX-SFHVURJKSA-N 385.493 2.923 0 40 GFAB O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)N1CCc2cc(Cl)ccc21 36752171 YTSNFGGCZHMRLJ-OAHLLOKOSA-N 375.856 2.872 0 40 GFAB CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccccn4)C3)n2)ncn1 72377654 GGLQGWILAGNNLQ-HNNXBMFYSA-N 376.468 2.827 0 40 GFAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31480975 YQTNVPHSLPBCFY-LJQANCHMSA-N 386.517 2.836 0 40 GFAB COc1cc(C)c(CN2CCC[C@H]2c2nnc3n2CCN(C(C)=O)C3)c(C)c1C 72373889 AUHRNZACDJDWSP-IBGZPJMESA-N 397.523 2.911 0 40 GFAB COc1ccc(-n2nnc(C(=O)N(Cc3ccccc3)c3ccccn3)n2)cc1 77100308 QOZXXWXDDXKYMW-UHFFFAOYSA-N 386.415 2.913 0 40 GFAB COC(=O)c1cccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)c1 225526663 POERKMLAUBPZHQ-UHFFFAOYSA-N 390.461 2.986 0 40 GFAB CN1CCN(c2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cn2)CC1 224254414 SYBQHAGLFDQCOD-UHFFFAOYSA-N 396.278 2.553 0 40 GFAB CC[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 224297662 JLJZKDWGVLSTSP-SFHVURJKSA-N 378.469 2.729 0 40 GFAB Cc1ccc(CCCC(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)cc1 248110048 JYIQOGMAMHMVSP-HSZRJFAPSA-N 394.519 2.874 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247852397 JGWOBONTTLIQFF-IBGZPJMESA-N 377.456 2.571 0 40 GFAB O=C(c1cc[nH]n1)N1CCC2(CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 257304798 SNERCIFDRFLCBN-UHFFFAOYSA-N 382.439 2.760 0 40 GFAB Cc1nc2ccccn2c1CC(=O)N1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 257312560 UONDRHOGQQEIEB-UGKGYDQZSA-N 379.460 2.616 0 40 GFAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1ccc(C)nc1)C[C@H]2c1ccccc1 257241753 HZMACUWIFKTSND-AFXVXQJMSA-N 379.504 2.587 0 40 GFAB CN(C)Cc1ccc(C(N)=O)cc1NCc1c(F)cncc1Br 657410263 CXMFVYVVFNMPOL-UHFFFAOYSA-N 381.249 2.756 0 40 GFAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1ccc(F)c(F)c1 96096630 GKKNBYJZGSXBAE-UHFFFAOYSA-N 390.415 2.816 0 40 GFAB CN1CCc2cc([C@H](O)CNC(=O)c3cc(Br)cs3)ccc21 96362548 XBUVBASYGACQAN-CQSZACIVSA-N 381.295 2.966 0 40 GFAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@H](C(F)(F)F)C1 36007383 RGAVDKGZPNDWIC-ZJUUUORDSA-N 389.443 2.937 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NC[C@H](c1cccs1)N(C)C)(C3)C2 12904443 KSJNSCXLBZJEMT-LNYVXCIOSA-N 389.565 2.942 0 40 GFAB COc1cc(-n2c(C)nc3ncn(-c4ccccc4)c3c2=O)cc(OC)c1OC 13207735 ZLSWQKSTWTYLDZ-UHFFFAOYSA-N 392.415 2.906 0 40 GFAB CC[C@H](C(=O)NCCN1CCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713971 XBHOOKFHYKQJLY-LJQANCHMSA-N 395.569 2.532 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19079482 CXPMOVBPKMCQAU-HNNXBMFYSA-N 398.482 2.777 0 40 GFAB O=C(C[C@@H]1CCCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292056 MUHSXZFWMSHTEA-ZDUSSCGKSA-N 397.401 2.808 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2cccc(OC)c2oc1=O 18113055 CQVMMNMNYWCAAD-UHFFFAOYSA-N 399.399 2.757 0 40 GFAB NC(=O)[C@@H](OC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccc(F)cc1 10500266 PIILWKIAARAQKU-PUUJXSFGSA-N 377.755 2.991 0 40 GFAB Cc1nnc(N2CC(NC(=O)CCc3ccccc3Br)C2)s1 1888864150 AAILKLKXQPUEGD-UHFFFAOYSA-N 381.299 2.547 0 40 GFAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)N1CCOCC1 4356353 JYAWQVSOIXNBEP-UHFFFAOYSA-N 394.294 2.857 0 40 GFAB CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2c1 4517710 FTQBMQFSCLLATA-UHFFFAOYSA-N 389.458 2.911 0 40 GFAB O=c1c2nccnc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1 16842648 ODPMWPQFIKIAGG-UHFFFAOYSA-N 396.809 2.842 0 40 GFAB O=S(=O)(CCCOc1ccccc1)NC[C@H]1CCCN1c1nccs1 206784377 JSYUCFPEQBBYLY-OAHLLOKOSA-N 381.523 2.500 0 40 GFAB O=C(Cn1nc(C2CC2)ccc1=O)NCCc1csc(-c2ccc(F)cc2)n1 575620190 ONBCTNJULOCFCJ-UHFFFAOYSA-N 398.463 2.742 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc(=O)n1C 585326539 VPOBIXCNDFQRBX-UHFFFAOYSA-N 392.459 2.767 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12 253472140 JTCMLGOIWAOIJJ-QGZVFWFLSA-N 385.441 2.623 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cc(Br)cs1)C2 618254199 ORHRNCHDFXZWEW-LLVKDONJSA-N 381.299 2.654 0 40 GFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cc(C)ccc3C)ccc12 2712374 MQZINQOUCHTRQU-UHFFFAOYSA-N 394.427 2.809 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 3363866 LZGMTRHJVPZBFE-VQIMIIECSA-N 387.480 2.970 0 40 GFAB aggregator Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(C(=O)NC2CC2)CC1 40144194 SRHANRSNCZAYTG-UHFFFAOYSA-N 395.507 2.689 0 40 GFAB Cc1oc(-c2cccs2)nc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1 40156481 DKRAQFAPLFSUGV-CQSZACIVSA-N 386.429 2.546 0 40 GFAB NC(=O)COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 40287042 BVHSYLRVQZJCRY-CQSZACIVSA-N 380.379 2.999 0 40 GFAB O=C(CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1)NC1CCCCC1 53049756 UQGNBNZGLFOXTC-UHFFFAOYSA-N 389.515 2.993 0 40 GFAB CC1(C)Cc2nc3nc(SCC(=O)Nc4ccccn4)nc(N)c3cc2CO1 1243206 YNVAWWRNTMNGLQ-UHFFFAOYSA-N 396.476 2.584 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c12 2120797 JQVGVFYRZAKSEK-UHFFFAOYSA-N 375.421 2.722 0 40 GFAB biogenic Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C 2618327 VLLIUFSTIOXECX-ZDUSSCGKSA-N 389.839 2.652 0 40 GFAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cc(OC)ccc1OC 2703007 CDNHHLCTDDNNFC-BONVTDFDSA-N 376.434 2.525 0 40 GFAB CCCCC[C@@H](C)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3233736 ZTLRQTUZCYPODC-OAHLLOKOSA-N 399.582 2.963 0 40 GFAB COc1ccc2cc(CCNC(=O)COc3ccc(Cl)cc3)c(=O)[nH]c2c1 4032861 UPNVKVSKADYGRI-UHFFFAOYSA-N 386.835 2.928 0 40 GFAB Cc1cc2cc(CN(CCCO)C(=S)NCC(C)C)c(=O)[nH]c2cc1C 4132969 JNKPKIJTXGPZHW-UHFFFAOYSA-N 375.538 2.860 0 40 GFAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NCCC1=CCCCC1 4250438 ZRNOCNPGVLSFCX-OAHLLOKOSA-N 397.475 2.794 0 40 GFAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 4861059 SCNUUMSCIJTCMI-OLZOCXBDSA-N 388.917 2.664 0 40 GFAB CCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 4995949 UPLRIMNFEWGVSZ-UHFFFAOYSA-N 382.869 2.680 0 40 GFAB O=C(CSc1nnc2ccc(-c3ccco3)nn12)NCCc1ccccc1 5168194 SQKCVRYILVUWIW-UHFFFAOYSA-N 379.445 2.835 0 40 GFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](C)C(=O)O)CC2 6624323 LZQXWLQKXLWWHV-DJJJIMSYSA-N 384.432 2.834 0 40 GFAB biogenic Cc1ccc(Nc2nc(N)nc(COC(=O)c3n[nH]c4ccccc34)n2)cc1 7061746 YXBNRZMWOXLIDP-UHFFFAOYSA-N 375.392 2.739 0 40 GFAB O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2)c1csnn1 9250867 PMCRAANLEWNXDV-UHFFFAOYSA-N 385.474 2.666 0 40 GFAB COc1ccccc1C(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1 9472118 RYJWSYDPFQNHMF-UHFFFAOYSA-N 391.474 2.808 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(N2CCCC2=O)cc1 9691788 GJLXREIGGYCXTP-UHFFFAOYSA-N 381.457 2.891 0 40 GFAB COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10232480 ZUPXZDKGPNDVBT-KRWDZBQOSA-N 393.403 2.714 0 40 GFAB CN(c1ccc(C(=O)NCCSCc2ccccc2F)cc1)S(C)(=O)=O 10281392 UKXFOFCOBRPMCE-UHFFFAOYSA-N 396.509 2.885 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1C 10518259 REBFKBCVHMZDDZ-UHFFFAOYSA-N 380.491 2.545 0 40 GFAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)nc1 10719371 MXRLVZLOVLMMNY-AWEZNQCLSA-N 375.856 2.655 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)N2CCCC2)c1 11613369 SGBZAEBNCOVLHP-OAHLLOKOSA-N 395.488 2.550 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccccc2)co1 11856519 NAIUAHMHIHDQSF-UHFFFAOYSA-N 379.368 2.878 0 40 GFAB O=C(C1CCCCCC1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142405 INYIHKWPJDVNEZ-UHFFFAOYSA-N 377.510 2.680 0 40 GFAB O=C(c1ncoc1-c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 12145541 DDWAKEBVKGDCQQ-DZGCQCFKSA-N 379.391 2.902 0 40 GFAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cc1ccncc1)c1ccccc1O2 12222462 KVDLIDFPOZIGLN-AVRDEDQJSA-N 379.460 2.645 0 40 GFAB O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 12325188 HEKZHMOGMIZJFD-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1C 12440058 MCURKPLOEYTQLQ-UHFFFAOYSA-N 382.445 2.882 0 40 GFAB COc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1NC(C)=O 12526421 WRRQFZLZZLQIST-UHFFFAOYSA-N 391.449 2.586 0 40 GFAB COc1cc(CNC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc23)ccn1 12540387 FGKBBSJFVCMZHW-OAHLLOKOSA-N 377.444 2.607 0 40 GFAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccs1)NCc1ccco1 12789407 DDZXQWBSWMDJHP-UHFFFAOYSA-N 390.486 2.848 0 40 GFAB O=C(Cc1ccccc1)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12798621 SDAARBOIMXAYOP-LJQANCHMSA-N 394.471 2.870 0 40 GFAB CCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccc(OC)cc2OC)c1 12821688 ZDPUYDDYFZZIBA-UHFFFAOYSA-N 392.477 2.738 0 40 GFAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(C)s4)CC3=O)c2c1 12866558 KPKUTOULWSCNKH-CQSZACIVSA-N 383.477 2.666 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1 12924844 XRGUPHTVBZCORQ-HOCLYGCPSA-N 393.443 2.702 0 40 GFAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 12998676 RDKXZJQONLMDPU-CYBMUJFWSA-N 380.441 2.700 0 40 GFAB Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 13075275 LRCXYBKCWHYNGT-STQMWFEESA-N 395.506 2.502 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Cl 13580968 ILBPZAFGMSDLLZ-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(Cc4cccs4)CC3)ccc12 18147744 AVSZRQCCUUXIHR-UHFFFAOYSA-N 398.484 2.886 0 40 GFAB Cn1c(SCC(=O)Nc2cccc3nsnc23)nnc1-c1cccnc1 19077995 WWLJHSDOFXURRN-UHFFFAOYSA-N 383.462 2.613 0 40 GFAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1cnc(C)cn1 19219991 HROAMRMZAPNDDZ-UHFFFAOYSA-N 390.365 2.857 0 40 GFAB CC(C)CC(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19446620 XCUWINVMOXSHMP-SFHVURJKSA-N 386.471 2.955 0 40 GFAB Cc1c(C(=O)NCCCN2CCCc3ccccc32)sc2ncn(C)c(=O)c12 19565213 QAYVIFDAQDNHII-UHFFFAOYSA-N 396.516 2.876 0 40 GFAB COc1cccc(-c2noc(CCC(=O)Nc3n[nH]c4nc(C)ccc34)n2)c1 19659611 YOJPSOZXDFZRJX-UHFFFAOYSA-N 378.392 2.896 0 40 GFAB COc1cccc(-c2nccnc2[C@H]2CN(C(=O)c3ccccn3)CCO2)c1 19693099 CEHNYCCHSINJDG-GOSISDBHSA-N 376.416 2.761 0 40 GFAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccncc2)C1 19703521 XAUBFYNRPOIFMI-JOCHJYFZSA-N 376.460 2.917 0 40 GFAB Cc1ccc(NC(=O)c2cn3cccc(C)c3n2)cc1S(=O)(=O)NC(C)C 19718797 CXBHFMVEYREDKL-UHFFFAOYSA-N 386.477 2.890 0 40 GFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN(C(C)=O)C3)nc21 19744504 WDBVFTOOJLQBSC-KRWDZBQOSA-N 394.475 2.609 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 20039798 RCBOCVXESNMEMI-UHFFFAOYSA-N 388.445 2.542 0 40 GFAB COc1ccc(Cl)cc1N(CC(=O)N(C)C1CCCCC1)S(C)(=O)=O 20109079 VILZTZJRFLZEJK-UHFFFAOYSA-N 388.917 2.906 0 40 GFAB COc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20460202 GFDOXTQJSRLINC-INIZCTEOSA-N 396.852 2.514 0 40 GFAB Cn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 20902363 SUSLCZOOEGPIDN-UHFFFAOYSA-N 377.444 2.865 0 40 GFAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cc1 21624492 MULUJSXDIBRSKR-TZMCWYRMSA-N 394.518 2.973 0 40 GFAB COc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22332419 PFBSWPIBVKBCKR-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)s1 23107897 BDMYELWNTHGVBA-NSHDSACASA-N 392.955 2.815 0 40 GFAB O=C(NCc1ccco1)c1nnn(-c2ccccc2)c1CSc1ncccn1 23109169 IXSKZHNGAJVANK-UHFFFAOYSA-N 392.444 2.873 0 40 GFAB COc1cccc(OC)c1-c1cnnc(N(C)Cc2n[nH]c3c2CCCC3)n1 23251811 VLSPIUWMUDKTHA-UHFFFAOYSA-N 380.452 2.794 0 40 GFAB COc1ccc(OC)c(CN(C(=O)c2n[nH]c(=O)c3ccccc23)C2CC2)c1 25803837 VCHATCFYGYXSGA-UHFFFAOYSA-N 379.416 2.745 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cnn(Cc2ccccc2Cl)c1 28236163 UQROCTVHLAJVHG-UHFFFAOYSA-N 393.838 2.742 0 40 GFAB COc1ccc([C@H](NC(=O)Cc2cn3ccsc3n2)c2nccn2C)cc1 29132615 UTSQHCTUHVIIHJ-KRWDZBQOSA-N 381.461 2.586 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc(Br)c1 30467879 AYHKFDUIRQJMMA-TUKIKUTGSA-N 393.281 2.802 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCc3sccc3[C@@H]2C)cc1 30549480 JXDNQMHBELFUMM-ZDUSSCGKSA-N 378.519 2.735 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1N1CCCC1=O 30755911 FRFUUHKRSVNVFH-UHFFFAOYSA-N 388.445 2.825 0 40 GFAB COc1cc(CNCc2cccnc2N2CCOCC2)cc(Cl)c1OC 30901585 JAXWIHQAEUXGGV-UHFFFAOYSA-N 377.872 2.879 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC1CCCCCCC1)O2 30944122 LXYVYSKXCCRNFX-GOSISDBHSA-N 380.510 2.751 0 40 GFAB COc1ccc(-n2cnc3cc(C(=O)NCc4ccncc4)ccc3c2=O)cc1 31818647 UYXAPKIKEDSZIV-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)c2)c(OC)c1 32816695 KUTAVMCJCVADGZ-BQYQJAHWSA-N 393.461 2.889 0 40 GFAB investigational CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)C1 32901695 MLODOWNMEFSVRY-CQSZACIVSA-N 385.439 2.915 0 40 GFAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120129 CFPYJNOTZLGCIC-OAHLLOKOSA-N 399.457 2.758 0 40 GFAB COc1ccc(OC)c2c1CN(Cc1nc(Cc3ccccc3)no1)C[C@@H]2O 40120274 MIKLKIIPMMGPLS-INIZCTEOSA-N 381.432 2.727 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccs3)nn2C)n1 42383498 ZSYLWDXQPVBUMG-UHFFFAOYSA-N 376.463 2.963 0 40 GFAB CN(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C1CCCCCC1 46183020 ZPSPGTZAEWJQPF-UHFFFAOYSA-N 377.510 2.762 0 40 GFAB CCc1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 57527332 MORWHQPBMZIZTA-UHFFFAOYSA-N 391.427 2.518 0 40 GFAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O)c1cc2ccccc2o1 57822462 AQQWIRMVPGRXCJ-KDOFPFPSSA-N 398.484 2.997 0 40 GFAB COC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 59227807 PAXHDZDSGRDIEM-QGZVFWFLSA-N 382.441 2.576 0 40 GFAB CCCN(CCC)C(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O 67226534 XHGSDJJJSFNPQQ-UHFFFAOYSA-N 397.479 2.524 0 40 GFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(F)cc4F)C[C@H]32)c(OC)n1 72392601 NHMHKKLOFQMZFP-BXJCWQANSA-N 391.418 2.502 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)cc1OC 85878891 LJLWILZHNJYDTJ-INIZCTEOSA-N 395.415 2.513 0 40 GFAB biogenic O=C(CN1CCN(c2ccc(O)cc2)CC1)N1CCC(Cc2ccccc2)CC1 89830341 SFNHSIRVQKHWFP-UHFFFAOYSA-N 393.531 2.996 0 40 GFAB COc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F 91352068 KOPZSDXCMOPQKR-UHFFFAOYSA-N 379.182 2.932 0 40 GFAB in-vitro Cc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c(CN(C)C)c1 95452960 NIYKGWYKAVNFAV-UHFFFAOYSA-N 393.900 2.862 0 40 GFAB CSc1ncccc1C(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96098301 BTJIVMBOIYWONP-AWEZNQCLSA-N 376.503 2.882 0 40 GFAB COc1ccc(-c2nn(CC(=O)Nc3cccc(OC)c3)c(=O)cc2OC)cc1 96183125 DDDFQJDRYOEDMB-UHFFFAOYSA-N 395.415 2.575 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc2c(c1)CCN2C 96362698 GLPBNJMXJCURNT-KRWDZBQOSA-N 380.897 2.653 0 40 GFAB CO[C@](C)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1F 96390982 VBFKHIHXNIOHIP-LJQANCHMSA-N 379.453 2.668 0 40 GFAB COc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc2c1OCO2 100148988 VFDMEHRACQXZFG-IAGOWNOFSA-N 382.460 2.939 0 40 GFAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)ccc21 101665854 BPWBIZRSAOWJJR-SDDRHHMPSA-N 392.381 2.859 0 40 GFAB CC1(C)CC2=Nc3nc(N)[nH]c(=O)c3[C@H](c3ccc4c(c3)OCO4)C2=C(O)C1 102453282 LUMKFUNEVHFCPO-CQSZACIVSA-N 380.404 2.931 0 40 GFAB O=C([C@@H]1CCOc2ccccc21)N1CCN(c2ncnc3sccc23)CC1 102863924 ICFRVNDZDWABJF-OAHLLOKOSA-N 380.473 2.906 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCBr)cc1)C(=O)O 221916151 DCTNEVSFAOHNIM-ZDUSSCGKSA-N 388.258 2.981 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OC)ccc3OC)c(C)cc21 223356258 YPOCJWGCOWEODV-UHFFFAOYSA-N 392.433 2.741 0 40 GFAB CC(C)Oc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 223391489 MJJUTDUGSSSDEX-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB COc1ccc(CCNC(=O)c2ccnc(O[C@@H]3CCSC3)c2)cc1OC 225719671 SUOZLNFTSMQPMJ-MRXNPFEDSA-N 388.489 2.956 0 40 GFAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CN(C(=O)C(C)(C)O)CCO2)n1 257213896 CJOQIHHBOUQIQS-OAHLLOKOSA-N 376.482 2.569 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1F 257313276 URQFUXRMTBRMTE-XLIONFOSSA-N 375.488 2.727 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408562060 MOCJCFSQCLFQKM-UHFFFAOYSA-N 388.489 2.651 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 408601709 GPGHBQQGIOFKGM-NSHDSACASA-N 384.404 2.669 0 40 GFAB O=C(c1ccc(N2C(=O)c3nccnc3C2=O)cc1)N1CC[C@@H](c2ccccc2)C1 408977624 XMOUSEROVFQRRZ-QGZVFWFLSA-N 398.422 2.907 0 40 GFAB C[C@H](Cc1csc2ccccc12)NC(=O)C1CCN(S(C)(=O)=O)CC1 575621790 UQALBCREFWKYHY-CYBMUJFWSA-N 380.535 2.620 0 40 GFAB CC(=O)N1CCC[C@@H](C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)C1 579309832 MBMLLIVEUJILOA-GOSISDBHSA-N 388.899 2.824 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)ccc1F 585079885 XMZYCVWAOWAPCT-CYBMUJFWSA-N 397.399 2.895 0 40 GFAB O=C(C[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21)NCc1cccs1 585095861 QZQAJAXKKGGSMB-MRXNPFEDSA-N 396.472 2.554 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(OC)c4)CC3)[C@H]2C1 585106186 AXTIDFVLJACFFE-AHRSYUTCSA-N 399.535 2.536 0 40 GFAB O=C(CN1CCC(O)(COc2cccc(Cl)c2)CC1)NCc1ccccc1 585274562 WPFFQMAXHNZEDS-UHFFFAOYSA-N 388.895 2.862 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccc(OC(C)C)c2ccccc12)C(N)=O 599400871 GGQQHIZJTCMMIL-HNNXBMFYSA-N 396.534 2.512 0 40 GFAB CCN(C(C)=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 617544722 YAWGIWDEYZHKIK-HUUCEWRRSA-N 397.479 2.715 0 40 GFAB Cc1[nH]c2ncnc(N3CCN([C@@H]4CCN(Cc5ccccc5)C4)CC3)c2c1C 645242141 NTZJCECLAPBZJV-HXUWFJFHSA-N 390.535 2.971 0 40 GFAB Cn1cc(N2CCC[C@H](NC(=O)N[C@H](Cc3ccccc3)c3ncco3)C2)cn1 654462464 XMIHSCIBDQOZBI-PKOBYXMFSA-N 394.479 2.660 0 40 GFAB O=C(c1ccnc(C(F)(F)F)c1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1565556499 KWSDSBPCCGLCJW-JKSUJKDBSA-N 376.382 2.842 0 40 GFAB Cn1c(N2C[C@@H]3CN(Cc4nnc(C(F)(F)F)o4)C[C@H]3C2)nc2ccccc21 1888888226 HJAUODMJPSSZDC-RYUDHWBXSA-N 392.385 2.543 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)cc1 800357 GDOGOVKQJFMCEQ-INIZCTEOSA-N 396.443 2.847 0 40 GFAB COc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3C)n2)cc1OC 917803 QELNDZDTURCJEJ-UHFFFAOYSA-N 387.827 2.958 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 1289477 RNCACOWAAXKWCL-INIZCTEOSA-N 396.443 2.929 0 40 GFAB NS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 4075750 YTURIYUOQNREGR-UHFFFAOYSA-N 397.865 2.615 0 40 GFAB COc1cccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)c1 4107805 XRNQIULOBICLKS-SNVBAGLBSA-N 377.491 2.556 0 40 GFAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4C(=O)O)ccc1c23 4660896 GUABNFZTQZJDSR-UHFFFAOYSA-N 382.397 2.929 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OC)cc2)c1 5311666 UCEQCAYXUPJVJT-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(C)c2C)C1=O 5797938 PKRJJIPZIICAOW-OAQYLSRUSA-N 383.448 2.691 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(C)oc2C)NC(=O)N[C@H]1c1ccccc1 5992291 YFWPEKBHUZAVPU-SFHVURJKSA-N 398.415 2.925 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2N)c(OC)c1 6581157 NANSZJYQMOMZMP-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB C[C@@H](CC(=O)Nc1cccnc1)CC(=O)N1CCN(c2ccccc2F)CC1 6956912 ZAIIOMWTIDLUHJ-INIZCTEOSA-N 384.455 2.924 0 40 GFAB CC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)Oc2ccccc21 8395132 AODPQNWIEJNQPO-QVKFZJNVSA-N 390.443 2.864 0 40 GFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(CN2CCCC2=O)cc1 8771408 XZZYAOJDZZCUOL-NRFANRHFSA-N 377.488 2.813 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccccc3n2C)CC1 8808030 RTTLQOSNAGDIJC-ZDUSSCGKSA-N 375.494 2.856 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)c2ccccc2n1 10330852 FKQJDXLRLBAQJX-HXUWFJFHSA-N 376.460 2.901 0 40 GFAB COc1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1Cl 10449174 MIVLMSFEFJPUPX-UHFFFAOYSA-N 394.880 2.704 0 40 GFAB Cc1cc(C)c(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c(C)c1 10705025 YGFUYDDNGISGMX-UHFFFAOYSA-N 386.517 2.730 0 40 GFAB CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)OCCO3)CC1 12188283 INNDTIZDVBKECX-HXUWFJFHSA-N 396.487 2.619 0 40 GFAB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1 12197233 UDYXHLZVECUKEX-MRXNPFEDSA-N 398.459 2.999 0 40 GFAB COc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc2c1OCO2 12667667 PAQZNOFPBLKMKT-OAHLLOKOSA-N 395.463 2.737 0 40 GFAB CS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1Cl 12784277 AVNYCXWNVPNGJN-UHFFFAOYSA-N 392.864 2.888 0 40 GFAB COc1cccc(CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1OC 12792867 KCQZRYVTYPZLPU-UHFFFAOYSA-N 393.443 2.632 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCc2ccccc21 13003779 INZTUMTZJSURSK-IEBWSBKVSA-N 397.500 2.553 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)[C@@H]1C 13115633 RXYOYKPUJVQAKL-YKTCAUAMSA-N 393.434 2.673 0 40 GFAB O=C(O)[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2O1 13436128 QTWKTJSMODSSHG-OAHLLOKOSA-N 375.764 2.604 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 13606663 BRQBLJWVQZPVDS-HNNXBMFYSA-N 396.422 2.992 0 40 GFAB Cn1c(SCC(=O)NCc2ccccc2)nc2c([nH]c3ccccc32)c1=O 13878692 IIEOJNRLSZAIMV-UHFFFAOYSA-N 378.457 2.823 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1c(F)cccc1Cl 13960386 NIVDCOBGQXXLOZ-FSDCSDTHSA-N 389.814 2.699 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCc3ccccc3OC(F)F)ccc2N1 14208491 BDHSTGZWTXGPAI-UHFFFAOYSA-N 382.388 2.651 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc2c(c1)OCO2 15370040 SJCAGGOUXSOVBJ-CQSZACIVSA-N 381.432 2.611 0 40 GFAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15574859 YRFCQDACWQVWNU-GOSISDBHSA-N 380.448 2.948 0 40 GFAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 15746634 GDCZQRJGPIDFRI-FXUDXRNXSA-N 399.274 2.520 0 40 GFAB Nc1nc(COC(=O)c2cccc(CN3CCCC3=O)c2)nc2ccccc12 18348748 SLDBPBGJYKSJTQ-UHFFFAOYSA-N 376.416 2.691 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)[C@@H]1CCCO1)Cc1ccccc1O2 19016250 CXWYTBPRSVHIGQ-JGBTYHIZSA-N 386.492 2.746 0 40 GFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccnn4C)C3)cc2N1 19520800 RTMONLHMXGPXKR-YWPYICTPSA-N 396.417 2.944 0 40 GFAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccs3)o2)c(C)n1 19524647 BLWUMSOERLRJJV-GFCCVEGCSA-N 393.494 2.849 0 40 GFAB O=C([C@@H]1CC(c2ccccc2Cl)=NO1)N1CCCN(Cc2ccccn2)CC1 19662151 DBCNSDJMPRTNBF-FQEVSTJZSA-N 398.894 2.963 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)cc1Cl 19936624 XHOLPCDVPDJGGR-UHFFFAOYSA-N 398.824 2.603 0 40 GFAB COc1ccc(NC(=O)CSCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 19976372 GXKRJHAINBBCBE-UHFFFAOYSA-N 386.429 2.581 0 40 GFAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)cc1 21123184 VXDLMPVJGUCHDL-LJQANCHMSA-N 394.519 2.627 0 40 GFAB Cc1noc(C)c1CSCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 22285009 ZPJKQBMOQGDBFZ-UHFFFAOYSA-N 395.506 2.703 0 40 GFAB CN1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 22795580 UFGJSCZQYMRTOI-GOSISDBHSA-N 386.883 2.858 0 40 GFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC[C@H]1COc2ccccc2O1 24859616 GXKJUFBEWLBRSU-ZDUSSCGKSA-N 388.807 2.594 0 40 GFAB Cc1cccc([C@H](CNC(=O)c2c[nH]c3ccccc3c2=O)N2CCOCC2)c1 29421196 AZUNCVWAROZDAU-NRFANRHFSA-N 391.471 2.640 0 40 GFAB CCOc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)ccc1O 31819787 DDKARWUNMUOIDR-GFCCVEGCSA-N 381.392 2.904 0 40 GFAB O=C(NCCOc1ccccc1F)N[C@H](CN1CCOCC1)c1ccccc1 32802198 ZHIMXVQNIOJTEB-LJQANCHMSA-N 387.455 2.577 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(N3C(=O)CCC3=O)cc1)OCO2 32994756 WJRCZOHFFVLVFM-UHFFFAOYSA-N 380.356 2.524 0 40 GFAB CC(C)OCCCNC(=O)CS(=O)(=O)Cc1csc(-c2ccccc2)n1 36396441 YQIMGBSBCLAMDB-UHFFFAOYSA-N 396.534 2.656 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 38833264 CIKKEWPADFRWNW-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB COc1ccc(C)cc1-n1nnnc1S[C@H](C)c1nnnn1-c1ccccc1 40127194 VFJHOAQAFMBTFA-CYBMUJFWSA-N 394.464 2.808 0 40 GFAB CCc1nn2c(nnc3c(=O)n(CCOC)ccc32)c1-c1ccc(Cl)cc1 40395883 LXXFUPLSSBVERT-UHFFFAOYSA-N 383.839 2.968 0 40 GFAB Cc1nc(-c2ccc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)nc2)no1 42380490 AOWMYCPCWSPFMA-HNNXBMFYSA-N 393.447 2.556 0 40 GFAB O=C(CN1CCc2ccccc2C1)Nc1ccccc1S(=O)(=O)C(F)F 48273728 VLUJBCUQYOYIQN-UHFFFAOYSA-N 380.416 2.680 0 40 GFAB CS(=O)(=O)c1nc(C(=O)Nc2ccccc2OC(F)F)c2ccccn12 48308958 YAPLOJSXEKYIAM-UHFFFAOYSA-N 381.360 2.592 0 40 GFAB CCNC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NCCc3cc(OC)ccc32)C1 49590466 ZWAXBKIXZBRMLK-HOCLYGCPSA-N 387.480 2.573 0 40 GFAB biogenic,in-vitro NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2Cl)CCO1 51587035 LMDXJBXRJQXWBN-INIZCTEOSA-N 375.812 2.850 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2cccs2)ccc1=O 56905907 XSHUPFYIDGNGGD-LBPRGKRZSA-N 383.429 2.943 0 40 GFAB CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 67492524 MJPNHNJBMMFFHA-FQEVSTJZSA-N 393.487 2.917 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2cc(N(C)C)nc3ccccc23)C1 72304645 IBCLSNUINVOOKE-MRXNPFEDSA-N 382.508 2.812 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)c1 72393786 OFBPHXZREQJBFT-CYBMUJFWSA-N 381.436 2.535 0 40 GFAB CN1C(=O)C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1 79479409 QKOMJWJWQGIBIT-GMAHTHKFSA-N 391.515 2.987 0 40 GFAB CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2ncoc2-c2ccco2)cc1 95959716 UTLMVQRYKIIDHH-UHFFFAOYSA-N 387.417 2.970 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCCn3ccc(C(F)(F)F)n3)CC2=O)cc1C 96099004 APROXGVEZIAIPS-CQSZACIVSA-N 394.397 2.688 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96367096 CSFYKBZIONFTGK-HNNXBMFYSA-N 388.445 2.886 0 40 GFAB CCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 102935350 PDWQMXSZNLEDBJ-UHFFFAOYSA-N 376.478 2.608 0 40 GFAB CN(C)C(=O)c1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 103072602 QVXGJMRVEYMJBS-UHFFFAOYSA-N 383.467 2.922 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 103841091 DGSADVAMZWFCMP-WKXVFJCSSA-N 381.472 2.505 0 40 GFAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)/C2=C/N1CCOCC1 104651100 OIQOOAMYZSFRRO-XSFVSMFZSA-N 378.428 2.864 0 40 GFAB COc1ccc(NC(=O)NCCC(=O)/N=c2/sc3ccccc3n2C)cc1 104754282 LZTCZHKVBKYRSC-ZBJSNUHESA-N 384.461 2.888 0 40 GFAB O=C(NCCSCc1ccco1)c1ccc(N2CCCCS2(=O)=O)cc1 222581194 PGGFRGMCKMQUDW-UHFFFAOYSA-N 394.518 2.873 0 40 GFAB Nc1nnc(COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)s1 222642005 LXUWLSGVBUEPHM-UHFFFAOYSA-N 388.902 2.574 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 222961904 ZYEKXRSZCZAWSZ-SFHVURJKSA-N 382.460 2.901 0 40 GFAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)s1 223125558 LDBATUAWBHHSOS-ZWKOTPCHSA-N 388.562 2.756 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 223930502 XQFFLSLUGIFAOF-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB COc1ccc(C)cc1C[C@@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O 225165295 NGIBXBMTUKXULJ-INIZCTEOSA-N 381.425 2.605 0 40 GFAB CCC[C@@H](C)NC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225210659 VUCAWGIJRZMCAX-CYBMUJFWSA-N 385.555 2.955 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)ncc2C1 247975422 ZVKFOEPPHFFBAQ-BWPNAZKDSA-N 382.508 2.871 0 40 GFAB C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)C[C@@H](C)O1 253603976 PEKCVDRHCOETBZ-KOJHEPPOSA-N 384.476 2.577 0 40 GFAB O=C(CCCc1ccncc1)N1CCC(c2n[nH]cc2C(=O)N2CCCC2)CC1 257201997 AJZZDCIRJNTXRB-UHFFFAOYSA-N 395.507 2.770 0 40 GFAB Cc1cccc(Nc2cccc([C@@H]3CN(CC(=O)N4CCCCC4)CCO3)n2)n1 257206215 BCLJENOWDGLTGN-IBGZPJMESA-N 395.507 2.914 0 40 GFAB COCC(=O)N1CCC2(CC1)C[C@H](Cc1ccc(F)cc1)N(CC(C)C)C2=O 257283179 OXBSWBOGYIJDPC-IBGZPJMESA-N 390.499 2.880 0 40 GFAB O=C(c1ccco1)N1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 306137424 QVYKUDVQRMBTED-QFIPXVFZSA-N 390.443 2.996 0 40 GFAB CCn1cnnc1[C@H]1CN(c2ccc(C(=O)Nc3ccc(C)cc3)cn2)CCO1 585079889 CLNHSCLOPKVVJP-GOSISDBHSA-N 392.463 2.832 0 40 GFAB O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(CCCN(CC3CC(F)(F)C3)C2)C1 585101204 NOJPWNCKMUTBBF-HNNXBMFYSA-N 377.382 2.557 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC(Oc4ccncc4)C3)C2)cc1 590007002 NQMSJWGXDRTQOA-SFHVURJKSA-N 379.460 2.532 0 40 GFAB Oc1nc(CN2CCC[C@@H](c3cc[nH]n3)C2)nc2c1cnn2-c1ccccc1 590926731 NLKCSUCLMHCLBU-CQSZACIVSA-N 375.436 2.624 0 40 GFAB CC(=O)N1Cc2ccc(S(=O)(=O)Nc3cc(C)c(C)cc3C(=O)O)cc2C1 663259362 ZUJRCZXLXCPTIJ-UHFFFAOYSA-N 388.445 2.665 0 40 GFAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542920 IEXGXMMAYDVUKM-IFMALSPDSA-N 399.466 2.773 0 40 GFAB Cc1cc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)ccn1 1615118768 DJUKPPSIQITYTF-NRFANRHFSA-N 383.423 2.567 0 40 GFAB FC(F)(F)c1cc(OC2CN(c3ncc(Br)cn3)C2)ccn1 1776009336 DSCJUZMJECFLAN-UHFFFAOYSA-N 375.148 2.921 0 40 GFAB CN(C)c1cccc(C(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c1 1888866725 ZSCOGGQQXYUEIX-QZTJIDSGSA-N 377.492 2.628 0 40 GFAB NC(=O)c1cccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 47438454 RHESWOAPYPAKDH-DEOSSOPVSA-N 399.450 2.976 0 40 GFAB COc1ccc2cnn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2c1OC 61717667 MIULBHMXHFGOIS-HNNXBMFYSA-N 395.459 2.551 0 40 GFAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)CCCc1nc2ccccc2s1 78986956 AJEPNXIJOUWTGT-INIZCTEOSA-N 394.537 2.880 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)Oc1ccccc1 1576255 IBPGOHOPKSDPAT-SJORKVTESA-N 388.464 2.983 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2150604 YSRBTLZFGKPIHV-SVKFGRERSA-N 375.421 2.793 0 40 GFAB biogenic CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccccc21 10009215 XPGCUDBLFSJGCB-MRXNPFEDSA-N 382.388 2.521 0 40 GFAB COc1ccc(CN2CCN(C(=O)NCc3ccccc3)CC2)c(OC)c1OC 25083042 LHRFHARNFDWVJA-UHFFFAOYSA-N 399.491 2.740 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 8130204 GYLCQOBFSHRCFY-HNNXBMFYSA-N 387.480 2.826 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCCCC1 8560511 QHLKPKYAAYWHBF-UHFFFAOYSA-N 380.510 2.742 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1C 8732540 NOHRFWVGHCZVLR-OAHLLOKOSA-N 382.416 2.758 0 40 GFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccccc1Cl 26455828 VYHIRKRDWKCFPA-INIZCTEOSA-N 395.912 2.560 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)c(F)c2)c1=O 57485831 IFYYGDNYXOUTGA-UHFFFAOYSA-N 375.425 2.721 0 40 GFAB CCOC(=O)CNC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487337 YBPDBNKGJZFGJQ-UHFFFAOYSA-N 388.811 2.538 0 40 GFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 84774038 IVWMWVRDLWBWAP-GOSISDBHSA-N 389.839 2.720 0 40 GFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(Nc3ncccn3)c2)C[C@@H](C)O1 48288851 RVUYQVBEEYAATM-HLIPFELVSA-N 395.507 2.934 0 40 GFAB COc1cccc(C2=NN(C(=O)[C@@H](O)c3ccccc3)[C@](O)(C(F)(F)F)C2)c1 20070047 PZVIBSGZAXDCIX-FUHWJXTLSA-N 394.349 2.616 0 40 GFAB COc1ccc(-c2n[nH]c(SCC(=O)N3CCC(C)CC3)n2)c(OC)c1 58218164 MVCZUISOGUPKSE-UHFFFAOYSA-N 376.482 2.840 0 40 GFAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CSCC1=O)c1ccccc1 12785258 GVQQAMLJEREWFF-CQSZACIVSA-N 383.473 2.649 0 40 GFAB O=C(Cn1cncn1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12754383 AKNVJQLZGOVTJO-UHFFFAOYSA-N 376.395 2.586 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 58097585 BLXYQARXDMTRHU-UHFFFAOYSA-N 377.447 2.773 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCC2=CCCCC2)cc1 28209412 DDUFOOSUVMACBR-GOSISDBHSA-N 390.505 2.681 0 40 GFAB COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(Cl)c1OCC(N)=O 10817828 WQPLADCIFSFBBQ-SNVBAGLBSA-N 380.803 2.843 0 40 GFAB COc1ccc(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cn1 29285663 ZKSCQXBZUVWXBN-UHFFFAOYSA-N 395.381 2.947 0 40 GFAB CCc1ccc([C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C(C)C)cc1 60160728 PCDJNWLFPIXICY-LJQANCHMSA-N 385.493 2.900 0 40 GFAB CCc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4OC)CC3)nn2)cc1 67263246 LDSBWBSLAGRDPC-UHFFFAOYSA-N 391.475 2.801 0 40 GFAB CCOC(=O)c1sc(NC(=O)Cn2cnc3sccc3c2=O)cc1C 23038997 HIIATWNTRVGOTJ-UHFFFAOYSA-N 377.447 2.643 0 40 GFAB O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2nc3ccccn3c2=S)C1 12869242 QYUSMFCUSGIPFZ-ZDUSSCGKSA-N 394.547 2.574 0 40 GFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(OC)c2)s1 3439529 ZPBBERGGCVBZHG-VIFPVBQESA-N 381.483 2.617 0 40 GFAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(OC)cc2)C3)cc1 12346396 FCULJMGWMFZTIH-HXUWFJFHSA-N 393.443 2.744 0 40 GFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 12949364 XBZGEEVXNWHHOT-KRWDZBQOSA-N 399.578 2.941 0 40 GFAB Cn1ncc2c(N3CCN(C(=O)Nc4cccc5ccccc45)CC3)ncnc21 12930388 OSVUPUQAEZUFPJ-UHFFFAOYSA-N 387.447 2.871 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1C 13072689 CPPIHTILVRUYOT-MRXNPFEDSA-N 390.505 2.858 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 38849594 QXLQBPZIDYKPNP-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB CCOc1cc(CNCCN(CC)CC)ccc1OCC(=O)NC(C)(C)C 22075884 NCQLLYUWQMTWHZ-UHFFFAOYSA-N 379.545 2.810 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1OC 6170748 REWJEESYACXTGN-UHFFFAOYSA-N 395.358 2.778 0 40 GFAB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 14163074 IQHFDEBRQSCKSQ-LBPRGKRZSA-N 382.482 2.584 0 40 GFAB COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1cccnc1 6421675 NHJQVCNTQHJAIS-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB CC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 14378814 QEJILZKHUUAQEC-UHFFFAOYSA-N 386.473 2.929 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O 6539941 XPPKVQFTZWYLDU-AWEZNQCLSA-N 382.416 2.848 0 40 GFAB C[C@@H]1CCN(C(=O)COc2cccc(-n3cnnn3)c2)c2ccccc2S1 5672562 RBGWXHIOMMCNBQ-CQSZACIVSA-N 381.461 2.959 0 40 GFAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3)n2)cc1OC 4943745 KJAGZPOTUCGRJP-ZDUSSCGKSA-N 383.404 2.838 0 40 GFAB CN(C(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O)c1ccccc1 67317009 KPNBUVCQAXSPEL-UHFFFAOYSA-N 383.477 2.506 0 40 GFAB C[C@H](CCc1ccccc1)Nc1nc(Cl)nc(NCCN2CCOCC2)n1 19830988 SEJGXIVVZQIXRC-OAHLLOKOSA-N 390.919 2.702 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccsc2)cc1 8705101 KKNHSLWUYYMBFS-UHFFFAOYSA-N 380.535 2.825 0 40 GFAB COc1cccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)c1 72270973 YMQPRZNRCZAVFT-UHFFFAOYSA-N 398.278 2.791 0 40 GFAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCCc2ccccc21 89858185 ZJBJRVFACFBENZ-HSZRJFAPSA-N 389.455 2.749 0 40 GFAB COCc1ccccc1S(=O)(=O)NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 528982587 LQJWTHKMCHSBOV-MRXNPFEDSA-N 397.399 2.738 0 40 GFAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)c1 72390949 MRCBNJSGXHQYFB-IAGOWNOFSA-N 380.492 2.523 0 40 GFAB COC[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218546400 YQANDJHLJQZUBG-ZIFCJYIRSA-N 378.421 2.791 0 40 GFAB CCN(Cc1nonc1C)C(=O)c1cc(-c2ccn(CC)n2)nc2onc(C)c12 36617992 YBRGPVFBJIAGHB-UHFFFAOYSA-N 395.423 2.768 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218563958 ITJLHESTTAYOET-SVFBPWRDSA-N 387.501 2.697 0 40 GFAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cccc(-n2cccn2)c1 225807560 TXQNDUQTFMLDTC-UHFFFAOYSA-N 386.337 2.864 0 40 GFAB COC1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCCCC1 225630448 NBBRBHCXFOUBMY-UHFFFAOYSA-N 390.480 2.602 0 40 GFAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223972737 HQINWLXRPQIFMB-UHFFFAOYSA-N 382.869 2.907 0 40 GFAB O=S(=O)(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc(F)cc1F 225809687 FDUPPUJEEDWFLK-UHFFFAOYSA-N 392.309 2.505 0 40 GFAB COc1cc(COCC2CCN(CC(=O)Nc3cccnc3)CC2)cc(OC)c1 77191463 AWOQSPYIWXFLFP-UHFFFAOYSA-N 399.491 2.966 0 40 GFAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cccc(F)c3)C1=O)CC2 96305307 CRIUXMRPZRZHKB-KRWDZBQOSA-N 384.407 2.533 0 40 GFAB COc1ccccc1-c1ccc(N2CCC(NC(=O)c3cccnc3)CC2)nn1 90591572 SVTISRJNCKWECE-UHFFFAOYSA-N 389.459 2.946 0 40 GFAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@@H]1C[C@H]1c1ccccc1F 580759453 RQHSULYDNFXSJQ-HFSMHLIXSA-N 383.467 2.748 0 40 GFAB CCN1C[C@@]2(CC1=O)CN(Cc1ccoc1)CCN(C(=O)Nc1ccccc1)C2 96036253 MJMKBXOTMMTJBP-JOCHJYFZSA-N 396.491 2.868 0 40 GFAB CCOC(=O)N1CCN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 585152363 UMRVYGTUPLITRG-UHFFFAOYSA-N 395.506 2.581 0 40 GFAB Cc1ncc(CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)o1 585123903 LUYPZGUESAJHNB-UHFFFAOYSA-N 393.285 2.502 0 40 GFAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCC[C@H](C)C2)n1 260739833 PXXNAZBYYPMAHW-HNNXBMFYSA-N 392.573 2.636 0 40 GFAB Cc1ccnc(Nc2cc(N3CCN(C(=O)c4cccnc4)CC3)nc(C)n2)c1 90607944 NNWNNLPXKMLPNN-UHFFFAOYSA-N 389.463 2.589 0 40 GFAB CCO[C@H](C)n1cc(I)c(I)n1 616567911 WFQWKYSTUREUQH-RXMQYKEDSA-N 391.978 2.647 0 40 GFAB Cc1nc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2coc(C)n2)c2ccccc23)co1 653915123 MMOGBZRGNOFBDG-OAQYLSRUSA-N 392.415 2.724 0 40 GFAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1cn(C)c3ccccc13)CC2 585096472 PCWHYOFIKSKGQY-AWEZNQCLSA-N 379.464 2.730 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)Nc2cn(Cc3ccccc3)nn2)cn1 585101440 PXTXDKCOCCAJAM-MJGOQNOKSA-N 395.467 2.756 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)n2)n1 1775996053 SGRKXXVKDQERGP-QGZVFWFLSA-N 381.480 2.566 0 40 GFAB CC(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 5625014 AUAASWPMBBBSDX-MRXNPFEDSA-N 394.479 2.727 0 40 GFAB Cc1noc(C)c1C(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086424 JRTYMYVXRHOLOL-IIBYNOLFSA-N 383.448 2.926 0 40 GFAB CC(C)N(C(=O)Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O)C(C)C 12117425 OLGGBDWBFLBKON-UHFFFAOYSA-N 385.493 2.803 0 40 GFAB CCn1cc([C@H](O)CN2CCN(c3cc(C)nc(C)n3)CC2)c2ccccc21 12222313 SWKCLWVICFVSTP-OAQYLSRUSA-N 379.508 2.924 0 40 GFAB Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)C(C)C)CCO3)cc2)c1 19235337 YHWYNSUAPBGFIJ-QHCPKHFHSA-N 380.488 2.943 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[nH]c(-c2ccncc2)n1 19445741 JDKBOIGAZGTMBA-IBGZPJMESA-N 392.415 2.688 0 40 GFAB O=C(COc1ccccc1F)N1CCN(Cc2nc(C3CC3)cs2)CC1 23137190 MKOQCIHJGBKGNG-UHFFFAOYSA-N 375.469 2.883 0 40 GFAB COc1nn(C)cc1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830664 MOOWSPSOALBHOK-UHFFFAOYSA-N 385.390 2.729 0 40 GFAB Cc1cccnc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840259 KTPMWDSTVVIXTK-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB COC[C@@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1Cc1ccccn1 1614927335 JIJYCVYDWJYBSH-SFHVURJKSA-N 375.488 2.803 0 40 GFAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C(C)C 4370590 HDJZWPBJCAZVCW-UHFFFAOYSA-N 383.427 2.535 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 12180504 UDQVWVFRIZITOW-UHFFFAOYSA-N 386.539 2.863 0 40 GFAB Cc1cc(OC2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc(=O)o1 218967711 JQBTUVIXRNHQRI-UHFFFAOYSA-N 397.880 2.975 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)cc1 44123572 ZXPJTTGEAORRRV-UHFFFAOYSA-N 393.472 2.765 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1cncc(-c2cnn(C)c2)c1 575414904 ZEWMXCCLCYKUGE-UHFFFAOYSA-N 376.869 2.922 0 40 GFAB CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 5399328 WMVKOFDYGRMGHW-UHFFFAOYSA-N 380.379 2.647 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl 20462121 DSQOVSXMWNNGNO-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)c(C)c1 101163511 HVUIWIDWROOEKO-OAQYLSRUSA-N 377.488 2.753 0 40 GFAB O=C(NCc1nnc2ccccn12)c1cc(-c2ccc(Br)cc2)n[nH]1 32207391 MFUSGFOQAQHPBV-UHFFFAOYSA-N 397.236 2.812 0 40 GFAB CCCn1c(=O)n(C[C@@H](O)COc2cccc(C(=O)OCC)c2)c2ccccc21 32760029 YMCQSWRZCMCGCE-QGZVFWFLSA-N 398.459 2.830 0 40 GFAB COc1cc(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1 21636281 YAUWZAIWXAEVQO-UHFFFAOYSA-N 382.460 2.621 0 40 GFAB C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)Nc1nc2ccccc2s1 32931569 WMEQAIMPSBNPLJ-VIFPVBQESA-N 386.462 2.981 0 40 GFAB O=C(/C=C/c1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268166 JWJPLHOQALGDRB-FPYGCLRLSA-N 379.821 2.630 0 40 GFAB O=C(OC[C@H]1[C@H](COC(=O)c2ccncc2)C1(Cl)Cl)c1ccncc1 874951 YOGBWCOZVLBAON-KBPBESRZSA-N 381.215 2.910 0 40 GFAB CNC(=O)C1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 23180938 VQMOXWMFMGDNPB-UHFFFAOYSA-N 377.391 2.537 0 40 GFAB O=C(NCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1330541 RUYBSNAHDWTZNR-KRWDZBQOSA-N 396.871 2.949 0 40 GFAB CCOC(=O)C1CCN(C(=O)NC2(C(F)(F)F)Oc3ccccc3O2)CC1 1470929 RKQWUPGMRUFJFH-UHFFFAOYSA-N 388.342 2.659 0 40 GFAB COc1ccc(C(=O)N[C@H](NCCCN(C)C)C(Cl)(Cl)Cl)cc1 2378068 MOGNCOFMJIJCBX-AWEZNQCLSA-N 382.719 2.663 0 40 GFAB CCN(CC)C(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 2653995 KFBFSRHYRSGSBR-CYBMUJFWSA-N 379.505 2.990 0 40 GFAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372930 SIXDUWJONJOOAE-CYBMUJFWSA-N 398.415 2.537 0 40 GFAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F)c1ccccc1 4734948 JFCKGZRLAHWGKJ-HNNXBMFYSA-N 379.334 2.702 0 40 GFAB COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1cccc(OC)c1 4934958 HTZFWFSGIKLMEP-LJQANCHMSA-N 392.415 2.526 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 6949123 PKLVAVYLEHVWPG-CQSZACIVSA-N 383.857 2.737 0 40 GFAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 7595148 XJISCRGEWLNWNY-UHFFFAOYSA-N 384.501 2.712 0 40 GFAB CC(=O)N(c1nc(COC(=O)C2=COCCO2)cs1)c1ccccc1F 7655076 ZEROWDIDVGCYBO-UHFFFAOYSA-N 378.381 2.898 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccc(F)c1 7728413 JZPPCDJPCMKXPD-AWEZNQCLSA-N 378.425 2.535 0 40 GFAB C[C@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1ccc2c(c1)CCCC2 7835379 DLONFNPNFWNPIZ-HNNXBMFYSA-N 377.448 2.797 0 40 GFAB O=C(CCC(=O)N1CCc2sccc2[C@H]1c1cccs1)N1CCOCC1 7947633 PHHMFGHFJZGWNQ-IBGZPJMESA-N 390.530 2.923 0 40 GFAB Cc1cc(C(=O)CCC(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C)s1 7982099 XKZQFKFLCYSANF-UHFFFAOYSA-N 386.429 2.924 0 40 GFAB O=C(CSc1nnc(-c2cccc(Br)c2)o1)NC[C@@H]1CCCO1 8280249 KFAJLKAOJGJOJB-LBPRGKRZSA-N 398.282 2.886 0 40 GFAB CSc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 8890529 SXYARTYOWZGOKU-HXUWFJFHSA-N 381.457 2.741 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Cl 8935362 HIGNSPNEDUMOMJ-AWEZNQCLSA-N 383.857 2.737 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)cc1 8944417 JFBHMTSCLUAJLY-UHFFFAOYSA-N 389.473 2.843 0 40 GFAB Cc1nc2sc(C(=O)Nc3ccccc3N3CCOCC3)c(C)c2c(=O)[nH]1 9209142 KLHHUVNTFKNRBN-UHFFFAOYSA-N 384.461 2.690 0 40 GFAB Cc1ccc(N[C@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 9338830 BKBWGPOUEWJZCV-INIZCTEOSA-N 395.440 2.725 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1 9620665 MESLSTIDQCBQHK-UHFFFAOYSA-N 379.508 2.964 0 40 GFAB COc1ccc(/C=C(\C(=O)NCc2ccco2)n2ccccc2=O)cc1OC 9763659 AIAKWFNFCRBWJM-SFQUDFHCSA-N 380.400 2.773 0 40 GFAB COc1ccc(-c2nn3cnnc3s2)cc1NS(=O)(=O)c1ccccc1 10119925 OGMUPVUOQDPHQB-UHFFFAOYSA-N 387.446 2.662 0 40 GFAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3nc(CC(N)=O)cs3)c12 11000125 SPJOAFDADKCRSW-UHFFFAOYSA-N 383.389 2.528 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc(OC(F)F)cc1 11512569 NLQOYLHLWUCLDV-UHFFFAOYSA-N 375.379 2.592 0 40 GFAB COc1ccc(NC(C)=O)cc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11620637 WRBUOVWATNNAGV-UHFFFAOYSA-N 396.447 2.831 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 11975690 QPNDOQHOZCDLTO-UHFFFAOYSA-N 383.473 2.617 0 40 GFAB CCc1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)CC)CC3)cc2n1 12160421 RIVIUFZSAGTAKS-UHFFFAOYSA-N 390.431 2.840 0 40 GFAB NC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 12440999 FJDFRKOBYKTTPY-UHFFFAOYSA-N 394.406 2.567 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)OCCCO2 12590586 JPYHJYLBERBCPM-UHFFFAOYSA-N 382.416 2.992 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 12802364 XNKOUPYCIXBHFB-ZDUSSCGKSA-N 396.896 2.894 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 12811750 ZIGSWPSFOFOPEP-SNVBAGLBSA-N 379.511 2.592 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1 12812780 HFYQLXHZBKSLSB-SJLPKXTDSA-N 393.487 2.985 0 40 GFAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc5c(c4)OCO5)cc3)nn12 12856948 TZYVFHYKVZZXER-UHFFFAOYSA-N 393.428 2.820 0 40 GFAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OCC)c1 13550744 MSUZSTIJUMZKIU-MSOLQXFVSA-N 395.415 2.861 0 40 GFAB CCN(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1cc(F)ccc1OC 13581124 QSHPJVKLQGNUJK-CQSZACIVSA-N 394.468 2.722 0 40 GFAB CCn1nccc1-c1cc(C(=O)OC)n2nc(-c3ccc4c(c3)OCO4)cc2n1 13645263 LIBXFMZWLVVCGD-UHFFFAOYSA-N 391.387 2.795 0 40 GFAB CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CCCC4)CC2=O)cc1 13944129 RQJGSQXALPUDQK-ZDUSSCGKSA-N 398.488 2.972 0 40 GFAB CCOc1ccc(CCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1OCC 15941032 JZPVTBOKFQHVLO-MGPUTAFESA-N 392.521 2.597 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NCCN1CCO[C@H](c2ccccc2)C1 16975444 HVSOUYUGOQFEEM-SFHVURJKSA-N 399.516 2.537 0 40 GFAB Cc1ccc2[nH]c(C)c(CN3CCC(O)(Cn4nc(C)ccc4=O)CC3)c2c1 19220101 RILBQPZCYZMTEF-UHFFFAOYSA-N 380.492 2.677 0 40 GFAB Cc1ccccc1-c1noc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 19237531 XGMQYODOFBMGFA-QGZVFWFLSA-N 385.445 2.807 0 40 GFAB O=C(CCc1ccccc1)N1CCC[C@@H](Cn2nnc(-c3ccncc3)n2)C1 19370812 TVALDARXNIVNMA-GOSISDBHSA-N 376.464 2.607 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)no3)ncc2C1 19452928 RGHQJYYARZMLCP-GOSISDBHSA-N 397.479 2.860 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19556139 NKJCJEADZXZPHI-ORAYPTAESA-N 382.512 2.559 0 40 GFAB COc1ccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1CO 19559251 YARQDIKWXKFYKW-FXAWDEMLSA-N 380.492 2.840 0 40 GFAB COc1ncc(CN2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 19572121 NVEPPHORIAFPBH-CQSZACIVSA-N 383.477 2.677 0 40 GFAB CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)CN2CCCCCC2)cc1 19590931 QLEZKCFRYDSIJT-FQEVSTJZSA-N 393.491 2.775 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3c(nc2N)CCN(C)C3)c1 19700645 NGOZTJCRHNJYPX-IBGZPJMESA-N 396.491 2.646 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(C(C)C)cs1 19714636 QNCOFLKYXUWHSI-CYBMUJFWSA-N 398.510 2.663 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CC1CCN(Cc2ccccn2)CC1 19748761 DIYYAECMZYEHSZ-FQEVSTJZSA-N 395.503 2.982 0 40 GFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1F 22252650 NKMKASWRMSWXDE-UHFFFAOYSA-N 396.440 2.881 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 22432241 PQFXJBKVMPESMR-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB CCc1ccc(OCCOC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 22466165 FHXXZKLLCIRCJO-HSZRJFAPSA-N 398.547 2.823 0 40 GFAB O=C(Nc1nc(-c2ccc[nH]2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 23129836 KRJVSEVHXHNBAJ-LLVKDONJSA-N 396.428 2.859 0 40 GFAB COc1cccc([C@H](NS(=O)(=O)Cc2ccc(F)cc2)c2nccn2C)c1 25059478 WQFNKRFKEYHXIR-SFHVURJKSA-N 389.452 2.777 0 40 GFAB CC(C)Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)c2)cc1 26821297 JBKHACCKQQICHU-UHFFFAOYSA-N 389.521 2.595 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCn1cccn1 30171932 LSLKFLZOBIUXAA-MRXNPFEDSA-N 394.928 2.595 0 40 GFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC3Cc4ccccc4C3)cc2O1 31810235 PCMBPQYVKSIGDL-UHFFFAOYSA-N 381.428 2.798 0 40 GFAB Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2c(O)nn(C)c2n1 32672080 UWBLSNMBTDAWBW-UHFFFAOYSA-N 399.882 2.907 0 40 GFAB COC(=O)c1cc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1OC 32740683 RVRNCWPGFVPWCU-UHFFFAOYSA-N 379.416 2.972 0 40 GFAB O=C1CCc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)ccc2N1 33067146 WGFMVNZFRZFXQY-GFCCVEGCSA-N 385.370 2.841 0 40 GFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)c2ccccc21 36360963 XACDJJJZONNMEW-NRFANRHFSA-N 393.443 2.674 0 40 GFAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(C)C)c2ccccc12 39556622 SGVUARFWXWMZPR-MFOYZWKCSA-N 385.489 2.870 0 40 GFAB CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)N(C)C)cc1 40063374 SQZQWUALCUEUKL-WOJBJXKFSA-N 381.524 2.675 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)CC1=O 42630519 SLAQQJBMLJBYTK-GOSISDBHSA-N 393.487 2.656 0 40 GFAB Cn1c(CSc2nnc(SCC(N)=O)s2)nc2cc(Cl)ccc21 43242356 MLRWSJGCEKGTNF-UHFFFAOYSA-N 385.927 2.948 0 40 GFAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCO2 44006372 FAZUVHDZFCMTTE-UHFFFAOYSA-N 384.407 2.837 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2OC)c1=O 44839981 UWFIDXBQLMSEIX-AWEZNQCLSA-N 381.432 2.782 0 40 GFAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44933586 SCXDIDYYHTUJHQ-HNAYVOBHSA-N 388.489 2.790 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N[C@H]1CCCCNC1=O 47173159 YPOLVLYKOWLZHW-SCOAYWHSSA-N 390.846 2.771 0 40 GFAB NC(=O)c1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Cl 48236573 YRGDPSXTXWPVGX-UHFFFAOYSA-N 389.883 2.710 0 40 GFAB COC(=O)Nc1ccc(CNC(=O)CCCNC(=O)NC2CCCCC2)cc1 48355283 OBOROKKSZJRBSP-UHFFFAOYSA-N 390.484 2.893 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccs1 57415889 SUBLTVSZZWNOMV-GOSISDBHSA-N 383.473 2.587 0 40 GFAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)c(C)c1 57492897 AXQCCNWYNMTQFI-UHFFFAOYSA-N 399.516 2.993 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc(-c2ccccc2)c[nH]1 58295445 ITEKSTLWHPGBEE-RDJZCZTQSA-N 376.464 2.961 0 40 GFAB COc1ccc(-c2cc(C[C@@]3(C(=O)O)CCCN(C(=O)C4CC4)C3)on2)cc1 72395044 MCIDRNFJEYJRRT-NRFANRHFSA-N 384.432 2.996 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)nc(N2CCOCC2)n1 84093550 GIYFXLJYXSUAIY-CQSZACIVSA-N 390.871 2.989 0 40 GFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 89919964 MMZZAWJPDYPWKS-XCLFUZPHSA-N 380.400 2.897 0 40 GFAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 90607816 BZXLIFNHKSNJDF-UHFFFAOYSA-N 381.867 2.812 0 40 GFAB CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](CNc3nccs3)CO2)C1 96075729 HZHSMZGKXVYJSA-KXBFYZLASA-N 389.525 2.791 0 40 GFAB COc1ccc(-c2nn(CCCC(=O)N3CCC[C@@H](C)C3)c(=O)cc2OC)cc1 96100926 SPAJFNQQGZZZGI-MRXNPFEDSA-N 399.491 2.966 0 40 GFAB C[C@H](O)CNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 97296648 YUWRAMXOSLJRJP-LBPRGKRZSA-N 391.265 2.741 0 40 GFAB COC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 101278756 SOSGUVUARITUOF-VKFLQFAXSA-N 395.463 2.702 0 40 GFAB CCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104676604 VMMDKAAJYORDLQ-HOSILWTGSA-N 386.521 2.844 0 40 GFAB COc1ccc(Br)c(C(=O)N[C@H]2CCN(c3nccs3)C2)c1 206810232 URCUXQSENBYYMJ-JTQLQIEISA-N 382.283 2.923 0 40 GFAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 222757912 QLMWPDNKHGZKST-UHFFFAOYSA-N 376.478 2.596 0 40 GFAB COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222992018 FAOXXYSFRQWMGP-GOSISDBHSA-N 398.503 2.808 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC1=CCCCC1 225131510 USCVVUCKUHGJKG-HNNXBMFYSA-N 380.510 2.856 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@H](O)c1csc2ccccc12 225696454 OJBFKMOCCSBICK-LBPRGKRZSA-N 397.499 2.761 0 40 GFAB O=S(=O)(NC[C@H](O)c1csc2ccccc12)c1cccc2nsnc12 225697462 VGISYSFGVFFGGR-ZDUSSCGKSA-N 391.499 2.918 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccncc4)C[C@H]32)cc1 306135768 PADGUJWXOZCWEE-FGZHOGPDSA-N 388.471 2.973 0 40 GFAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 408628030 PQMVCECQVLKOOR-UHFFFAOYSA-N 396.516 2.872 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1OC 408698878 SNJHSPFSIRQWJK-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 408708688 KWUZSHUJBFLAEH-UHFFFAOYSA-N 395.459 2.623 0 40 GFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@H]12 408917713 AGVORKGDFQYBGB-GVAFMPQTSA-N 395.196 2.514 0 40 GFAB CC1(C)CCc2cccc(NC(=O)CN3CCN(c4ccccn4)CC3)c2O1 530044303 ZFKUAKMLQTXJFV-UHFFFAOYSA-N 380.492 2.946 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c(C)s1 548335565 HTOPAQFCZJZLPT-OLZOCXBDSA-N 383.495 2.824 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414976 VOIGNAIGLINKPN-QZTJIDSGSA-N 391.514 2.750 0 40 GFAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3cccs3)[C@@H]3OCC[C@@H]32)cc1 585109319 ITOUIXXCKWZBTF-BJLQDIEVSA-N 384.501 2.531 0 40 GFAB O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CC[C@@H](Oc2nccs2)C1 585320780 ROMGNOUGGIRABB-HIFRSBDPSA-N 384.461 2.933 0 40 GFAB COC(=O)c1c[nH]c2cc(NC(=O)N3CC[C@H](C(F)(F)F)[C@H](CN)C3)ccc12 599607482 QHPWCGZBGSXEJG-YGRLFVJLSA-N 398.385 2.946 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cccc(Oc3cnccn3)c2)c1C 605655485 QZLDKEZMDPAGEP-UHFFFAOYSA-N 398.444 2.785 0 40 GFAB O=C(c1ccncc1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888890785 AUWRTDFUVIZLJI-UHFFFAOYSA-N 377.448 2.933 0 40 GFAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncnc4cnccc34)CC2)c1F 1888897526 NYCXOGWWYRIIGB-UHFFFAOYSA-N 381.459 2.886 0 40 GFAB O=C(c1ncccc1F)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889211603 TZDKACLLVZIKOJ-UHFFFAOYSA-N 379.395 2.756 0 40 GFAB O=C(NCCc1ccc(-c2ccco2)s1)C(=O)NCc1ccc2c(c1)OCO2 2086896665 KCPGQNUJTKHDAN-UHFFFAOYSA-N 398.440 2.712 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)NC1CCCC1 905303 WSVWXTNTFMEIKD-CQSZACIVSA-N 376.482 2.868 0 40 GFAB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O 981403 GUWKJRCMIVZYLW-MDWZMJQESA-N 395.820 2.570 0 40 GFAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)c1 2403058 VSOVXBUPQBIAPJ-IBGZPJMESA-N 378.428 2.908 0 40 GFAB CCCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 2623122 VZYLZBCPHDWXSW-UHFFFAOYSA-N 376.460 2.769 0 40 GFAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 2636553 MVNHZRSKGZVHQU-GFCCVEGCSA-N 386.404 2.846 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N(CC(C)C)CC(C)C)n1N 3368274 QCDQUKJSXMNYPZ-UHFFFAOYSA-N 391.541 2.900 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(Cl)cc1 4165681 BRGGXJDCYQVBSE-UHFFFAOYSA-N 379.807 2.874 0 40 GFAB Cn1c(=O)c2c(SC3CCCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O 4341379 HBFJVOWADAWZGM-UHFFFAOYSA-N 386.452 2.868 0 40 GFAB O=C(COc1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5076027 WTPSBGRWJFJRTJ-UHFFFAOYSA-N 380.853 2.897 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ncnc2sc3c(c12)CCC3 5262118 ZRNKAAHSYHNPGI-INIZCTEOSA-N 395.484 2.875 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 5438646 CUXPPKCDEIWEIL-UHFFFAOYSA-N 387.461 2.827 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCc2ccccc2C1 6542174 HDGDWYGUGQRTOG-IBGZPJMESA-N 390.480 2.714 0 40 GFAB O=C(NC1CC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767064 RTDUIPJUMHDKRK-UHFFFAOYSA-N 376.865 2.984 0 40 GFAB COc1ccc(CCNC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1OC 6847267 SWFWNFMSPJVOFT-UHFFFAOYSA-N 381.432 2.546 0 40 GFAB CCC[C@@H](C)NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 6945079 UXUKYEQRORELQR-LLVKDONJSA-N 377.304 2.520 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(C)c1 7604545 ZWQPAIUAODJIMU-UHFFFAOYSA-N 380.441 2.840 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 8037078 NIPVQJCQAUHLHA-KRWDZBQOSA-N 394.427 2.732 0 40 GFAB O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298438 JOZZIFDQLUCCGP-BBWFWOEESA-N 394.504 2.751 0 40 GFAB biogenic,in-vitro CC(C)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 9117757 RUDCQSDCBWVFBC-UHFFFAOYSA-N 397.541 2.585 0 40 GFAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)[C@@H]3CCCO3)cc2c1 9235324 GQCFCAGLMIYDKW-FQEVSTJZSA-N 377.444 2.939 0 40 GFAB O=c1c2ccccc2ccn1CCS(=O)(=O)NCCCCc1ccccc1 9455798 LCLVNJNGNVXQGI-UHFFFAOYSA-N 384.501 2.944 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)c(F)c1 9979388 IIYJFECFQASVQW-QGZVFWFLSA-N 395.434 2.803 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1 10441513 BYWNDESKAWDAFS-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 11002179 YHYWWZVKOQWSHS-UHFFFAOYSA-N 390.480 2.979 0 40 GFAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694794 FZECIAXZDKRWLL-ZNZDAUKMSA-N 393.447 2.954 0 40 GFAB CCCc1ccc(C(=O)N2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)o1 12242155 LNQUYPKPAZPZJQ-NSHDSACASA-N 383.495 2.507 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(F)cc1 12753672 GBLVHHDEWVKBFQ-UHFFFAOYSA-N 380.423 2.674 0 40 GFAB Cc1cc(C)c(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c(=O)[nH]1 12754131 FVYPALPHDWVLPN-OAHLLOKOSA-N 391.880 2.764 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccco2)n1 12879171 AXOPUUPYUNXKMJ-UHFFFAOYSA-N 380.429 2.841 0 40 GFAB CCc1c(C(=O)Nc2cc(C(C)(C)C)ccc2O)cnn1-c1ccc(=O)[nH]n1 12920944 IESVQIBDRSXRDW-UHFFFAOYSA-N 381.436 2.773 0 40 GFAB CCN(C[C@H]1COc2ccccc2O1)c1ccc2nnc(C(F)(F)F)n2n1 12932790 IIOQZHPBEZBBAL-NSHDSACASA-N 379.342 2.809 0 40 GFAB CC[C@@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1cc(C)on1 12948924 PSQLABQMPBZAJI-GXTWGEPZSA-N 375.356 2.508 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl 12956028 ZHIKENOIXWFNSP-KGOITJQVSA-N 385.773 2.973 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 12985511 BMBJKYFRVQTFQI-OAHLLOKOSA-N 392.463 2.857 0 40 GFAB CCn1nnc2c(SCC(=O)Nc3ccccc3C(F)(F)F)ncnc21 13532153 WOSOQNXYECXOIU-UHFFFAOYSA-N 382.371 2.991 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)cc1 13806749 BGVFYIROKSBBID-UHFFFAOYSA-N 377.400 2.644 0 40 GFAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)c2ccc(C)cc2)C3)C1 19136221 HMWKMTNOEPRJLJ-QFBILLFUSA-N 392.503 2.809 0 40 GFAB CCOc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2nccn2C)ccc1OC 19531895 WSFZGMSLSWGTDR-VSOVRNOCSA-N 385.508 2.947 0 40 GFAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@@H]3CCCO3)n2)cc1 19557983 VBCGBMKZUWYWMW-NRFANRHFSA-N 392.459 2.916 0 40 GFAB Cc1cc(=O)n(CC(=O)Nc2ccccc2CN2CCOCC2)c2ccccc12 19566535 MQFWYVCRYZJPLV-UHFFFAOYSA-N 391.471 2.781 0 40 GFAB CC(=O)N[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)C2(CCNCC2)C1 19704113 JCMSAIHJIDJCRE-IBGZPJMESA-N 393.487 2.952 0 40 GFAB Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)cc12 19709272 FHJSVKGWLBPPOO-INIZCTEOSA-N 392.507 2.576 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)CN(CC)CC3)c1C 21295347 JNQLQXSIDIFYIX-UHFFFAOYSA-N 376.482 2.895 0 40 GFAB Cc1cc2oc(=O)cc(COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)c2cc1C 21463054 XZKJJIAOTDBAJR-UHFFFAOYSA-N 391.379 2.993 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-n2cccn2)cc1 21796777 SLJQSYAPJIANKV-UHFFFAOYSA-N 381.388 2.928 0 40 GFAB CCN1CCN([C@@H](c2ccc(F)c(F)c2)c2sc3nc(C)nn3c2O)CC1 22468492 OAOYPWQEJWPNTP-HNNXBMFYSA-N 393.463 2.810 0 40 GFAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(Cc2cccs2)CC1 23735338 COTMVGDZPUEOJZ-NRFANRHFSA-N 399.560 2.776 0 40 GFAB CCC[C@H]1NC(=O)N(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1=O 24835499 ORVVFGYQMWSOMJ-HNAYVOBHSA-N 384.432 2.939 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CNC(N)=O)cc2)cc1OC 25615804 JNELNDSYCUJLFZ-KRWDZBQOSA-N 383.448 2.849 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cccc(OC)c2OC)nc1 25778160 MENPABPQNBOOAS-UHFFFAOYSA-N 393.509 2.766 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 27499216 HTKHCJJFWUELCC-IBGZPJMESA-N 399.491 2.752 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1 27597241 WOIKFYYPYGKTTR-NRFANRHFSA-N 397.519 2.797 0 40 GFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1cn2ccccc2n1 28833124 SCVSPVMFLYUTNG-INIZCTEOSA-N 386.455 2.851 0 40 GFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1c1nnc2ccccn12 29078461 JJYIHXZEIUKWNB-DOTOQJQBSA-N 393.447 2.708 0 40 GFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cnn(-c2ccccc2)n1 32854743 RTNBQJSYLRDPNO-UHFFFAOYSA-N 384.823 2.664 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(O)c(C(=O)O)c1 33589436 FUONHCHWEQUHME-OVCLIPMQSA-N 398.396 2.765 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1 36359815 POORZMLACTVMBM-UHFFFAOYSA-N 388.424 2.528 0 40 GFAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl 36569654 ICMAVXYBKRPWHW-PSLIRLAXSA-N 397.262 2.935 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)NCCOc1ccc(Cl)cc1 39983222 NWCKHUOWRKGABJ-UHFFFAOYSA-N 379.869 2.661 0 40 GFAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(-n2cncn2)nc1 40087722 WIILRPLPCWPYQX-UHFFFAOYSA-N 395.373 2.995 0 40 GFAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccccc1SC(F)(F)F 40146735 MMGYEALJBCBUJA-UHFFFAOYSA-N 384.445 2.700 0 40 GFAB O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nccs1 40287474 HFBFALASRKDYOX-UHFFFAOYSA-N 376.457 2.740 0 40 GFAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3nc4c(s3)CCCC4)cn2)cc1 49343578 VNYSKCUNZBMVQF-UHFFFAOYSA-N 396.472 2.893 0 40 GFAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccnc1SCc1ccc(F)cc1 49651836 CLJQUKGVRGODSV-AWEZNQCLSA-N 394.493 2.678 0 40 GFAB CC(C)c1ccc2nc(-c3ccc(CN4C(=O)CNC4=O)cc3)[nH]c(=O)c2c1 57771966 NAFCKQZKHAHMOV-UHFFFAOYSA-N 376.416 2.765 0 40 GFAB O=C(CCNC(=O)NCc1ccccc1OC(F)F)NCc1ccccc1 58208599 DLWCREOFXVMUFS-UHFFFAOYSA-N 377.391 2.794 0 40 GFAB CSc1nnnn1-c1cccc(NC(=O)N2CCc3ccc(O)cc3C2)c1 66982809 ODFLGSZTVXYAHM-UHFFFAOYSA-N 382.449 2.680 0 40 GFAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 70639788 NYLZRMUBBQNELS-QGZVFWFLSA-N 382.338 2.548 0 40 GFAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NCC2(O)CCCCC2)CC1=O 72304357 SUIQLWDFFYUUNU-CYBMUJFWSA-N 380.872 2.513 0 40 GFAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1O 72392886 SRAJCHGDUPTTQJ-KRWDZBQOSA-N 392.459 2.926 0 40 GFAB CO[C@H](C)c1nc(CN2CCCN(C(=O)c3ccn(C(C)C)n3)CC2)cs1 79054016 OAOUGZOEQJBNQS-OAHLLOKOSA-N 391.541 2.976 0 40 GFAB C[C@H]1CN(Cc2coc(-c3cccs3)n2)CCN1c1nccn2cnnc12 89939349 UZFYWPXITIMVLP-ZDUSSCGKSA-N 381.465 2.552 0 40 GFAB O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)Nc1cccs1 96096331 RHTNHRCTVQGPRP-UHFFFAOYSA-N 397.504 2.876 0 40 GFAB COc1ccc(-c2nn([C@H](C)C(=O)N3CCC[C@@H](C)C3)c(=O)cc2OC)cc1 96101064 RJEIPNDYMARLMG-HUUCEWRRSA-N 385.464 2.747 0 40 GFAB O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccccc1OC(F)(F)F 96123416 FXIPUXNGFWVXCM-UHFFFAOYSA-N 391.371 2.934 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)/C=C/c3ccccc3)ccc2NC1=O 96182289 ARKIYSGYKMKKDY-VZOQVYJPSA-N 380.400 2.991 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 100563705 RALOPTKVLRYTAT-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3CC(C)(C)CN2CCOCC2)cc1 100765372 ASVVRFZYHKXDGV-WOJBJXKFSA-N 388.552 2.868 0 40 GFAB CCOc1ccc2nc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)sc2c1 103465037 SMNCQQMMHUVMKD-IACUBPJLSA-N 399.472 2.973 0 40 GFAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 104298319 PBEOQKTUWUYVGP-IZDJOXEWSA-N 381.407 2.714 0 40 GFAB biogenic O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(C(F)(F)F)cc1 206726324 RGXFDFOSFQILIB-UHFFFAOYSA-N 386.399 2.574 0 40 GFAB O=C(CCSc1ccccc1)NCCn1nc(-c2ccco2)n(C2CC2)c1=O 211075384 JOTJOKNBXMAKTJ-UHFFFAOYSA-N 398.488 2.938 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(-n2ccnc2C)cc1 216186760 NCGKBYBVXMDAOO-UHFFFAOYSA-N 398.488 2.791 0 40 GFAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 220124515 SYOZRLZDYRUXDG-CYBMUJFWSA-N 376.434 2.517 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220470013 KRBUNADCVSLEHO-CYBMUJFWSA-N 380.441 2.936 0 40 GFAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220630153 DAXRKASZRZZZKT-GOSISDBHSA-N 394.468 2.695 0 40 GFAB COc1ccc(C)cc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225165524 FEZBTPXIJJNYEW-QGZVFWFLSA-N 377.462 2.628 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225278371 ZVLSTRCBPUVZAW-IEBWSBKVSA-N 384.451 2.994 0 40 GFAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 244221487 WACCNBUMRADILQ-UHFFFAOYSA-N 376.478 2.971 0 40 GFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 244909696 ARVQPINMWDVCQL-SFHVURJKSA-N 390.509 2.584 0 40 GFAB COc1cc([C@H]2C[C@@H](NC(C)=O)CC3(CCN(C(C)=O)CC3)O2)ccc1F 257222518 DTOYXTZLDOXGKV-SJLPKXTDSA-N 378.444 2.572 0 40 GFAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 257310312 UEPBQTVWJHSDTM-OAQYLSRUSA-N 399.470 2.786 0 40 GFAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cccc(Cl)c3)CC2)C1 306129971 ISZAYGONUVONLN-UHFFFAOYSA-N 389.887 2.813 0 40 GFAB Cn1nccc1C(=O)N1CCC2(CCc3ncc(-c4ccncc4)n3C2)CC1 306140776 VDTFCFBHXDVOJF-UHFFFAOYSA-N 376.464 2.547 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CC(N3CCc4ccccc4C3)C2)cc1F 390825789 CAIAZAQXQSOALW-UHFFFAOYSA-N 390.480 2.656 0 40 GFAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1 409204645 CHSVKTZTCIPCKN-UHFFFAOYSA-N 399.476 2.619 0 40 GFAB Cc1cc(-c2nc(-c3cccc([C@@]4(C)NC(=O)NC4=O)c3)no2)c2n[nH]cc2c1 546501070 XVWIOMKXQWASBU-HXUWFJFHSA-N 388.387 2.643 0 40 GFAB O=C(CN1C(=O)CC[C@@]12CCCN(CCc1ccccc1)CC2)N1CCCC1 585100748 VKECTEMAAIOOBB-HSZRJFAPSA-N 383.536 2.699 0 40 GFAB O=C(CN1C(=O)Cc2ccccc21)NC[C@H]1CCN(c2ccccc2Cl)C1 617121742 OAMPMKGJWUYHSZ-OAHLLOKOSA-N 383.879 2.872 0 40 GFAB O=C(NCc1cnccc1C(F)(F)F)C(=O)N1CC[C@@H]1c1ccc(F)cc1 663564174 MNSXOZDNTJJDND-OAHLLOKOSA-N 381.329 2.829 0 40 GFAB CC(C)CCOc1ccc(NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)nn1 667993291 URZKVFFGVQQLJO-OAHLLOKOSA-N 383.452 2.611 0 40 GFAB O=S1(=O)N=C(N2CCN(c3ccnc4ccccc34)CC2)c2ccccc21 731975495 AFKMLYIQJLEMQA-UHFFFAOYSA-N 378.457 2.506 0 40 GFAB Cc1csc(C(=O)N2C[C@@H]3COC[C@]3(CC(=O)NCc3cccs3)C2)c1 1565554281 MVPINEZOBCLZNB-KUHUBIRLSA-N 390.530 2.913 0 40 GFAB Cc1cccnc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615155123 HZBZQZVXKVNOPE-NRFANRHFSA-N 383.423 2.567 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](COc3ncccn3)C2)cc1Cl 1775968771 VHIHRFFHCUNYLN-ZDUSSCGKSA-N 397.884 2.618 0 40 GFAB O=C(CCn1cnc2ccccc21)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037912943 FKPDCTAHUHBQEL-QFIPXVFZSA-N 397.450 2.998 0 40 GFAB CC(C)n1nccc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985695 SMIBVFCAHGYLKT-QFIPXVFZSA-N 396.491 2.892 0 40 GFAB COCCNC(=O)C1(Nc2nccs2)CCN(CC2CCCCC2)CC1 2055738705 LIYKQHRQIPPZMJ-UHFFFAOYSA-N 380.558 2.733 0 40 GFAB CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccccc4)c(=O)c23)CO1 658406 AASLZBSUJFQVCT-LJQANCHMSA-N 384.461 2.733 0 40 GFAB CCSc1nc2c(n1C)CCN(C[C@@H](O)c1ccc(OC)c(OC)c1)C2 711270 ZUMBEIQBFPEKJU-MRXNPFEDSA-N 377.510 2.641 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)cc3)C2)cc1OC 1305928 DBYXJODOKLWYFG-MRXNPFEDSA-N 378.425 2.954 0 40 GFAB NC(=O)c1nn(-c2ccccc2F)s/c1=N\C(=O)c1ccc(Cl)cc1 1417158 UALWHWNVVRSKTK-SILNSSARSA-N 376.800 2.566 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2148947 HVYQNVUUFHVCHX-SFHVURJKSA-N 395.411 2.546 0 40 GFAB biogenic CCOc1ccc(-n2c(COc3ccccc3)nnc2SCC(N)=O)cc1 2438284 OQBULJIUIIKTKA-UHFFFAOYSA-N 384.461 2.822 0 40 GFAB CN1CCC(N(C)C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1 3312617 KMBRKOWBDAVTAV-UHFFFAOYSA-N 376.460 2.552 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(Cl)s1 3318755 NTFMWIULEKRIEE-UHFFFAOYSA-N 381.837 2.956 0 40 GFAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC1CCCCCCC1 3340639 ACJHOXJFBWKUOG-LJQANCHMSA-N 396.491 2.860 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 3472851 UNXSPFMJAJNZIA-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COc1ccc(C(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)c(OC)c1 4564675 PJUDEUQSAOMWCY-WQRHYEAKSA-N 383.400 2.607 0 40 GFAB CCOc1ccc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 4569086 HSKFXAMALQFCDZ-KRWDZBQOSA-N 388.489 2.668 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 5345955 CDLBCVWWRJMNTR-NVNXTCNLSA-N 398.396 2.765 0 40 GFAB O=C1CCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 5356710 PKAIDAKNVKRWGJ-UHFFFAOYSA-N 397.435 2.710 0 40 GFAB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5706614 JXLRIEAELYWLGD-OALUTQOASA-N 398.459 2.894 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1C 6150468 FVPRXOFAMXAHBN-IBGZPJMESA-N 394.471 2.876 0 40 GFAB Cc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 6207980 MEUYXOMQLNBFPP-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 6581769 GHWWDTRKZOIJAH-OAHLLOKOSA-N 397.500 2.725 0 40 GFAB CCOc1ccc(OCCN2CN(CCO)c3nc4ccccc4n3C2)cc1 6585861 HWWKVKTXFBLBEP-UHFFFAOYSA-N 382.464 2.543 0 40 GFAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCC1=CCCCC1 6672399 HHNXOXIBFVKRFR-HNNXBMFYSA-N 381.480 2.961 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccccc1C(=O)c1ccccc1 6786110 IFMUNOSNWGMGTP-UHFFFAOYSA-N 399.410 2.911 0 40 GFAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 6941397 VUDNFTBNVHXNDK-RISCZKNCSA-N 375.450 2.537 0 40 GFAB COC(=O)c1c(SCC(=O)c2cc(C)ccc2OC(F)F)nc(=O)[nH]c1C 7719056 VOOODLHNBMCYJN-UHFFFAOYSA-N 398.387 2.750 0 40 GFAB CCCCCN(C(=O)c1ccccc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O 7723535 YPGXWUDESUSCNU-UHFFFAOYSA-N 390.459 2.895 0 40 GFAB C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 7736013 WXFIAEYBNJUEGW-OAHLLOKOSA-N 399.447 2.570 0 40 GFAB O=S(=O)(NCCc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 8059457 YDMNNCIVCLIQST-UHFFFAOYSA-N 390.486 2.979 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C(=O)N1CCCC1 8560369 BYECRFJBSXVZSN-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 8742935 GMWDSDOYYAWSMD-GOSISDBHSA-N 390.443 2.827 0 40 GFAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 8750151 OFWPDMDEVFSGGK-UHFFFAOYSA-N 379.825 2.730 0 40 GFAB O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)C1CC1 9651267 LEGZYLMWCHSZJD-UHFFFAOYSA-N 388.468 2.522 0 40 GFAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2o1 11175422 FZCPRNCIUKOJGE-UHFFFAOYSA-N 387.186 2.824 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11416647 LDCXOQOHPCZBHI-UHFFFAOYSA-N 389.814 2.974 0 40 GFAB Cc1ccc(-n2ccnc2N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 11695755 UICMKHRTYUFYML-UHFFFAOYSA-N 375.476 2.941 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11916104 BKWGPTIDGRIPFL-UHFFFAOYSA-N 377.809 2.895 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc12 12297028 QTHSGOGNRLVJEF-QFBILLFUSA-N 384.476 2.861 0 40 GFAB biogenic Cc1nnc(SCC(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)o1 12337257 NTERSHIWVFVFHM-UHFFFAOYSA-N 386.521 2.783 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)n1 12527120 CXNQPJXTAXKEKL-JOCHJYFZSA-N 388.427 2.949 0 40 GFAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)c2ccccc2O1 12563301 GCQOYLIQNWBHOW-SFHVURJKSA-N 389.402 2.697 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1C 12775960 ZDVBECBRTHPRLO-UHFFFAOYSA-N 381.411 2.700 0 40 GFAB CC(C)c1cc(NC(=O)COC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)on1 12942161 LJMSTRAHCGZKJQ-LBPRGKRZSA-N 375.356 2.545 0 40 GFAB COc1cc(OC)c(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1Cl 13362621 JIEZPCGZVSFCMZ-UHFFFAOYSA-N 389.788 2.995 0 40 GFAB CC[C@H](C(=O)NCc1cccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714449 NNZQSOQOOZJKGZ-MRXNPFEDSA-N 381.885 2.596 0 40 GFAB CCCn1c(N)c(-c2csc(-c3ccc(OCC)cc3)n2)c(=O)n(C)c1=O 14244104 XZZFRRXAXSIYKC-UHFFFAOYSA-N 386.477 2.728 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1ccccc1Br 15831793 AYYNEVCPDGLGLX-OAHLLOKOSA-N 379.254 2.845 0 40 GFAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC(O)CC1 16338422 PBFHTETVTLXBFL-UHFFFAOYSA-N 388.489 2.987 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 16847838 UVBRSXUZVFHSHG-KRWDZBQOSA-N 384.461 2.592 0 40 GFAB COC(=O)c1cc(NC(=S)NCCc2cccs2)cc(C(=O)OC)c1 17077409 GOPBPQMVTCBQLL-UHFFFAOYSA-N 378.475 2.850 0 40 GFAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(CC(=O)Nc2ccccc2)n1 17079483 REQLAMCCVYTUCG-UHFFFAOYSA-N 389.463 2.940 0 40 GFAB CN(C)CC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 19084023 YJHPTRKRIHZOTG-QLFBSQMISA-N 397.514 2.971 0 40 GFAB COc1ccc2nc(CN3CCc4c(nc(-c5ccncc5)[nH]c4=O)C3)ccc2c1 19563707 JCTIOMPGCDURLE-UHFFFAOYSA-N 399.454 2.947 0 40 GFAB COCc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)cc1 19594421 BZECGEKFEZMECF-JOCHJYFZSA-N 380.444 2.630 0 40 GFAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3ccnn3C)C2)c1 19695028 XONJKHWCWVCTBF-QGZVFWFLSA-N 392.507 2.941 0 40 GFAB CC(C)(C)C(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19848474 PYNZDGZYISXLJV-UHFFFAOYSA-N 393.487 2.626 0 40 GFAB CN(CCNC(=O)C[C@H]1CSc2ccccc2NC1=O)Cc1ccccc1 20031593 FSHIDLYIFZENNW-KRWDZBQOSA-N 383.517 2.985 0 40 GFAB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc2c(c1)OCCO2 20493882 QVOVOOAYLNPKRB-UHFFFAOYSA-N 392.820 2.936 0 40 GFAB O=C(CCNC(=O)c1cccs1)Nc1ccc(S(=O)(=O)C(F)F)cc1 20815377 PKYPUCAMJJWUPS-UHFFFAOYSA-N 388.417 2.503 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)oc3cc4c(cc13)CCC4)CS2 22299580 XOTPCPFXANNOQX-IIBYNOLFSA-N 399.468 2.779 0 40 GFAB COc1ccc([C@H](CNCc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 22789479 QQNJOTIYXHBNHG-FQEVSTJZSA-N 384.476 2.630 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 23530524 AECFXJPUKZUYRJ-AWEZNQCLSA-N 381.432 2.638 0 40 GFAB O=S(=O)(CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 23825083 CAZYABQLRVIUII-UHFFFAOYSA-N 399.438 2.696 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nnnn2C2CC2)cc1 23882187 PEOVOZBFEDRHSD-UHFFFAOYSA-N 377.404 2.975 0 40 GFAB O=C(CSc1nncn1-c1ccccc1)N1CCN(Cc2ccccc2)CC1 24747674 HTCAZIUUBVUDGA-UHFFFAOYSA-N 393.516 2.704 0 40 GFAB COc1ccc(CNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1OC 24968490 IKCPHXJJZJVYEF-UHFFFAOYSA-N 397.475 2.808 0 40 GFAB CC(C)NC(=O)CC1(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)CCCC1 24985142 FAZNNQGBGYBCSM-UHFFFAOYSA-N 382.407 2.922 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2nc3ccccc3o2)CC1 25051369 ISRXWDVGARRWCD-UHFFFAOYSA-N 383.473 2.827 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cccc(C)c1C 28207410 XHIHNVKYUMSITN-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc3ccccc23)CC1 29361159 DZAWFKNFSCULBJ-SFHVURJKSA-N 379.504 2.999 0 40 GFAB COc1ccccc1N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC3)CC1 36708239 MVYPSJUIMQQYSG-UHFFFAOYSA-N 380.444 2.552 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 39995614 LUBBQEUCINJHQT-OXJNMPFZSA-N 384.505 2.886 0 40 GFAB CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(F)c(F)c1 40139357 DXYCWMNTTPTESD-UHFFFAOYSA-N 390.452 2.985 0 40 GFAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1 40150740 VVZWNWQWLXBVKT-AWEZNQCLSA-N 389.315 2.982 0 40 GFAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 40286572 PKFWRYZNWSSCET-AWEZNQCLSA-N 380.379 2.999 0 40 GFAB COc1cccc2cc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)oc12 42381407 OEBOGHXMPOZTNT-UHFFFAOYSA-N 379.372 2.688 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 44450959 JYIYVNPRGSDZTP-DWOOFBTHSA-N 388.445 2.551 0 40 GFAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NCc1ccccc1OC 44901861 DRLASMZUBBBIHD-UHFFFAOYSA-N 375.855 2.675 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)c3ccccn3)cc(C(C)C)nc21 44917383 LMUSYEWGYXHSBB-ZDUSSCGKSA-N 395.463 2.504 0 40 GFAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccco1 47080902 PKXSFDXVSYTDAB-SECBINFHSA-N 377.249 2.570 0 40 GFAB O=C(CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)NCc1cccs1 47262113 QGZSPNHGMFYACH-CYBMUJFWSA-N 392.912 2.763 0 40 GFAB Cc1ccc([C@H](CNCc2csc(-c3ncccn3)n2)N2CCOCC2)o1 58108224 HLUZZSUPXQEDGA-INIZCTEOSA-N 385.493 2.665 0 40 GFAB CCCN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 59252784 DGPCYJCWEQXIIS-GOSISDBHSA-N 397.397 2.786 0 40 GFAB O=C(Oc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 60392571 YBXZTQZQRVKWFZ-UHFFFAOYSA-N 380.853 2.845 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)NC[C@H](O)c1ccc2ccccc2c1 67456922 VHZZDXPQBDYMIE-FQEVSTJZSA-N 387.443 2.953 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC1=NS(=O)(=O)c2ccccc21 69075274 QTRWPWQVSSODMA-ZDUSSCGKSA-N 379.482 2.515 0 40 GFAB COc1ccccc1OCCNS(=O)(=O)c1ccc(Br)cc1 69078926 AAJWYGAUWHCNGC-UHFFFAOYSA-N 386.267 2.815 0 40 GFAB CC[C@H]1C(=O)NCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 78608060 CRCIQCVDHWENIQ-SFHVURJKSA-N 376.460 2.695 0 40 GFAB O=C(Nc1ccc(F)c(-n2cccc2)c1)C(=O)N[C@@H]1CCC[C@H]1n1ccnc1 79023544 UOJTWUYOGNUEAW-IAGOWNOFSA-N 381.411 2.661 0 40 GFAB Cc1ccc([C@H](CNC(=O)[C@@H](C)c2c(C)nn(C)c2C)N2CCOCC2)s1 89656325 CESDYLLQZROAJP-YOEHRIQHSA-N 390.553 2.700 0 40 GFAB O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@H](Cn1cncn1)c1ccccc1 89826444 POSUCZPNOVPKJY-MRXNPFEDSA-N 387.802 2.567 0 40 GFAB C[C@@H](NC(=O)CN(C)CCN(C)C1CCN(C)CC1)c1cccc2ccccc12 95409011 PCKYWESQCVFRJE-LJQANCHMSA-N 396.579 2.975 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96078216 VLJKOQFXPQSBDE-UHFFFAOYSA-N 397.494 2.904 0 40 GFAB CC(C)CN1C[C@H]2CCN(C(=O)c3ccc(Cl)cc3)CC[C@H]2S1(=O)=O 96145594 QHYOBUMOANIMKC-NVXWUHKLSA-N 384.929 2.862 0 40 GFAB Cc1cc(C(=O)N2CC[C@]3(COCc4cnc(-c5ccccc5)nc43)C2)no1 96244338 ZHBZOWYFUKRBEJ-OAQYLSRUSA-N 376.416 2.754 0 40 GFAB CS(=O)(=O)Nc1cccc2c1CCN(C(=O)Cc1c(F)cccc1Cl)C2 96999033 WVKZFIORSJMVKC-UHFFFAOYSA-N 396.871 2.978 0 40 GFAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)C1[C@H]3CCCC[C@H]13)C2 100746641 GKJDDDHZQNKCGK-JENIJYKNSA-N 382.508 2.871 0 40 GFAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)cc1 107949242 NXYPULKMTMAXFN-UHFFFAOYSA-N 386.367 2.732 0 40 GFAB O=C(c1cnc2sccn2c1=O)N1CCc2cc(Br)ccc21 116000224 ZUIJUYTZWFBGHH-UHFFFAOYSA-N 376.235 2.721 0 40 GFAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 216254700 GFWYBCYLLSTFDF-HNNXBMFYSA-N 376.478 2.647 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218431203 SAMHDTTZRKOMFC-SOLBZPMBSA-N 379.865 2.540 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc(Cl)cc2)C1(CO)CO 218474203 HVOACNFBDFSBJO-HOTGVXAUSA-N 387.284 2.904 0 40 GFAB COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961689 LRFRMFFYUNCBES-UHFFFAOYSA-N 387.816 2.856 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 224988510 PPIQJNXHJMPTMH-AWEZNQCLSA-N 376.478 2.890 0 40 GFAB CCOc1cccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 225439395 DKBIQJPQOBYIJX-UHFFFAOYSA-N 393.534 2.968 0 40 GFAB Cc1n[nH]c(SCCNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1 225904142 GOPTVCYSRDYNMK-HNNXBMFYSA-N 393.944 2.887 0 40 GFAB O=S(=O)(c1ccccc1F)N1C[C@@H]2CCC[C@](O)(c3cccnc3)[C@H]2C1 248071368 YDUASYHCNSOLTH-QOKNQOGYSA-N 376.453 2.529 0 40 GFAB COc1cc(-c2cc(-c3cc4c(cc3C)n(C)c(=O)n4C)nn2C)ccc1O 257338714 YYPYVMHGXLFZKA-UHFFFAOYSA-N 378.432 2.967 0 40 GFAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 260913019 ZOASWQLRSDSMAU-YEWWUXTCSA-N 380.485 2.531 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 408555517 AZWNDGXWIMQHEZ-KRWDZBQOSA-N 394.537 2.889 0 40 GFAB Cc1ccc(CNS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 408592780 OPRWXUQXTJDBBY-MRXNPFEDSA-N 390.505 2.765 0 40 GFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1 408701010 PYJOXKFUKCQHSU-UHFFFAOYSA-N 396.553 2.992 0 40 GFAB Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)nn1C(C)(C)C 523669655 WPGDPHQECIFRGA-QGZVFWFLSA-N 397.523 2.896 0 40 GFAB O=S(=O)(C1CC1)N1CCC(Nc2ncc(F)c(-c3ccsc3)n2)CC1 579935822 JDQIEALRZBFJQB-UHFFFAOYSA-N 382.486 2.713 0 40 GFAB C[C@H]1CN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CCS1(=O)=O 585091117 YXKLOTNRDQWKGN-LBPRGKRZSA-N 391.411 2.652 0 40 GFAB CC(C)N(C)CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 585110344 HSTUIXIRSBJPFR-UHFFFAOYSA-N 382.508 2.669 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@H](S(=O)(=O)Cc3ccco3)C2)cc1 585267885 KRMYPIROTCXAPA-PEKVBPLLSA-N 395.502 2.578 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C2)n1 585292182 YCSFSGKXAAHANQ-JFDDCEBESA-N 389.463 2.984 0 40 GFAB CCc1ncc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)s1 616779413 IGYBQZYAJPCUPZ-YVEFUNNKSA-N 389.525 2.557 0 40 GFAB CCn1nc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)c(=O)c2ccccc21 618773217 RZLJKKODRMJPPH-SFHVURJKSA-N 381.407 2.769 0 40 GFAB Cn1ccnc1C(NC(=O)Nc1cccc(C2CCOCC2)c1)c1nccn1C 626877525 VTYHPDAHXOBDQE-UHFFFAOYSA-N 394.479 2.959 0 40 GFAB Cc1cccc(CC(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615159210 OVVVVPMDAYKOBC-QHCPKHFHSA-N 378.472 2.962 0 40 GFAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909329 UNBOYFFHROVJMO-OAQYLSRUSA-N 389.471 2.921 0 40 GFAB COC(=O)CNc1cc(C)c(C(O)(C(F)(F)F)C(F)(F)F)cc1OC 1087415 DDESDMCKHNGMLP-UHFFFAOYSA-N 375.265 2.901 0 40 GFAB COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1 1291989 VEMJRQQGDZYQNT-KRWDZBQOSA-N 397.435 2.625 0 40 GFAB COc1ccc2c(c1)c1nnc(SCC(=O)N3CCC(C)CC3)nc1n2C 1366288 CPGUSWLWEOFUFG-UHFFFAOYSA-N 385.493 2.876 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1ccccc1F 2370426 LEYIJBUJBKDRCA-QGZVFWFLSA-N 395.312 2.771 0 40 GFAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccccc1Cl 2629921 PJLDDLCCQQJZDX-UHFFFAOYSA-N 377.872 2.991 0 40 GFAB CCN(CC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1cccc(OC)c1 2649767 NTSKPWXVLVZNAA-UHFFFAOYSA-N 383.448 2.797 0 40 GFAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc4c(c3)OCO4)coc2c1 2664079 RRWWVMWBFUEHAF-UHFFFAOYSA-N 383.356 2.895 0 40 GFAB CCOC(=O)c1sc(N/C=C(/NC(=O)c2cccs2)C(=O)OC)nc1C 3263494 IUBOBJJKCLPTRW-CSKARUKUSA-N 395.462 2.546 0 40 GFAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)NCc1ccc(Cl)cc1 3355024 JKBNSYRNPRQABM-QGZVFWFLSA-N 385.851 2.509 0 40 GFAB CCN(CC(=O)NCc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 3430103 XFHALGNXZODRDS-UHFFFAOYSA-N 390.896 2.548 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCCCC1 3566959 VKZKKTNTCQCIJL-UHFFFAOYSA-N 394.537 2.859 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCc1ccc(Cl)cc1 3600614 TWRUTWKBLGHXPY-NRFANRHFSA-N 397.862 2.740 0 40 GFAB Cc1ccc(N2C[C@@H](NC(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2=O)cc1 4497006 UVLKXYXYPDJJLD-HNNXBMFYSA-N 375.428 2.889 0 40 GFAB CCc1ccc(NC(=O)[C@H](Cc2ccc(OC)cc2OC)c2nn[nH]n2)cc1 5444926 TZTPJWKGWKKMMI-QGZVFWFLSA-N 381.436 2.744 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NC1CCCCCC1 6033415 CUYVAGOAWHRCDE-UHFFFAOYSA-N 375.498 2.910 0 40 GFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2OC)C1=O 6948540 VIJJRMKZZVJNHY-DHDCSXOGSA-N 378.450 2.609 0 40 GFAB COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)NC1CCCCC1 8475748 XYJUBBAGGMGMON-UHFFFAOYSA-N 380.510 2.979 0 40 GFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 8724386 UYQPOQSTUJSVOV-FQEVSTJZSA-N 394.362 2.606 0 40 GFAB COCCNc1nnc(SCC(=O)Nc2cccc3ncccc23)s1 8748511 KJIXVFRPWDBAGA-UHFFFAOYSA-N 375.479 2.875 0 40 GFAB Cc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1NC(=O)c1ccco1 8778382 VSUGTTMXSYLONE-UHFFFAOYSA-N 381.432 2.535 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1Br 9054406 QUBHBWIXAZZCTJ-FPMFFAJLSA-N 391.265 2.578 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O 9576802 BUOJQOHALVDRLN-GFCCVEGCSA-N 378.856 2.603 0 40 GFAB O=C(NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)o1 10288765 IQUNQKZVLJMGON-QMMMGPOBSA-N 383.164 2.573 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1 10324293 CLVRAXFZUMWENV-LBPRGKRZSA-N 390.461 2.667 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)NC2CC2)c1 10518240 ZGHMRAQFDJKTGD-VAWYXSNFSA-N 378.475 2.540 0 40 GFAB Cc1cc(C)cc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 10833883 MORRZPSUNLWPJE-KRWDZBQOSA-N 376.478 2.524 0 40 GFAB COc1ccc(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cn1 11112501 RRAJIYNFVVQGBK-CQSZACIVSA-N 377.853 2.863 0 40 GFAB CCOc1ccc(CN(C)C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 11239116 NJABUMJUHFACDN-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB CCOC(=O)c1sc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1C 11449786 AKQLQWQQDYEGKW-UHFFFAOYSA-N 390.248 2.735 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(F)cc2)n1 12006408 HUMAOOUPYLARTJ-UHFFFAOYSA-N 393.378 2.844 0 40 GFAB CCOc1ccc(N2CCn3c2nnc(C(=O)NC2CCCCCC2)c3=O)cc1 12234100 DFUUIJLLXBMUEW-UHFFFAOYSA-N 397.479 2.641 0 40 GFAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)CCc2ccno2)C1 12238978 DIQPBXKTJIRUQA-OAHLLOKOSA-N 378.436 2.684 0 40 GFAB O=C(C1CC1)N1CCN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 12775441 FYKQIFVFPSOTKR-UHFFFAOYSA-N 394.500 2.706 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1 12797401 XPARSFPXPIOFCV-UHFFFAOYSA-N 394.880 2.811 0 40 GFAB NC(=O)c1ccc(CSc2nnc(-c3cccs3)n2CCC(=O)O)cc1 12877194 JARFBOBEPNAGFJ-UHFFFAOYSA-N 388.474 2.873 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)OCc1ccccc1 12903491 LIDRXEFRYBECOL-VQTJNVASSA-N 382.460 2.819 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc1 12996358 DJHQPRCQEOMKFH-UHFFFAOYSA-N 390.867 2.891 0 40 GFAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn2)c(C)c1C 13008940 ZBSUZBWQNHLFLQ-UHFFFAOYSA-N 376.464 2.550 0 40 GFAB Cc1ccccc1CN(C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 13040093 ZLELWRPVIAJRPK-UHFFFAOYSA-N 379.382 2.599 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 13188633 DYCFHXLWEUYTQR-KRWDZBQOSA-N 387.432 2.977 0 40 GFAB O=C(O)Cc1csc(NC(=O)COc2ccc(Br)cc2F)n1 13405004 SGLPGVKAVACJDM-UHFFFAOYSA-N 389.202 2.689 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(C(=O)C(F)(F)F)CC3)nn2)cc1 13657839 FYZMKLLXZUUSDO-UHFFFAOYSA-N 380.370 2.753 0 40 GFAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Br)cc1 13730429 RLLHHUNUGBIRCM-AWEZNQCLSA-N 385.221 2.975 0 40 GFAB Cc1ccc(SCCNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cc1 14247230 HAFDPZSAVAYNIA-UHFFFAOYSA-N 378.519 2.781 0 40 GFAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccco1 16490371 KJFRGYAYUNJHDO-UHFFFAOYSA-N 386.429 2.776 0 40 GFAB CCN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 16678376 DSCCBTRAEZSVEM-UHFFFAOYSA-N 383.473 2.562 0 40 GFAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1cnccn1 16755487 WNWHHNILVMWPLG-UHFFFAOYSA-N 385.449 2.747 0 40 GFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]2CC[C@@H]1C2 17077095 MOOIWKWMSIFBDR-MVJTYMMSSA-N 376.884 2.731 0 40 GFAB CN(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 17298295 PQKFQROSAABGPX-UHFFFAOYSA-N 380.897 2.710 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 18253825 IDSCFMQDXSWHJT-FMIVXFBMSA-N 391.427 2.920 0 40 GFAB O=C(CCc1ccno1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344289 SVGIIEXOABDBHH-CYBMUJFWSA-N 384.461 2.825 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CCN3CCCC3)CC2=O)cc1 19556341 TVKNLRTVRVWBOP-OALUTQOASA-N 399.535 2.915 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)COc2ccccc2)n1 19698142 KFXGIKBBWFMJAO-JOCHJYFZSA-N 394.519 2.884 0 40 GFAB Cc1c(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cnn1C 19715578 BEZWNEMGPUYTDM-AWEZNQCLSA-N 384.459 2.637 0 40 GFAB COc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc(OC)c1OC 20427286 QZSOJOIIGOOWRR-DNVCBOLYSA-N 384.432 2.871 0 40 GFAB COc1ccc(Cn2c3c(c(=O)[nH]c2=O)CN([C@H](C)c2ccccc2)CN3)cc1 20551240 BKTBKLHQKRWGSU-OAHLLOKOSA-N 392.459 2.540 0 40 GFAB C[C@H](NC(=O)c1ccccc1NC(=O)CCN1C(=O)CCC1=O)c1ccccc1 21589651 JGZMMTRDOJOQCS-HNNXBMFYSA-N 393.443 2.655 0 40 GFAB COc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1OC 22188548 UWOGYZSRGVPPPZ-UHFFFAOYSA-N 399.447 2.537 0 40 GFAB Cc1nn(C)c(C)c1CCC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 22838857 DEXYLOGUFFFVGR-UHFFFAOYSA-N 377.872 2.753 0 40 GFAB CN(CC(=O)NCc1ccc(COCC(F)(F)F)cc1)C(=O)c1ccco1 22876299 SPKSQKLOTMVSES-UHFFFAOYSA-N 384.354 2.747 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)c2cc(OC)c3c(c2)OCCO3)cc1 23113720 IHLDJJXPBUPNOI-UHFFFAOYSA-N 377.418 2.512 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1C)S(C)(=O)=O 23530551 CLWXOMTXVCEPGZ-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB CC1CCC(NC(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)CC1 25059270 SYDJIPCIGOEGTB-UHFFFAOYSA-N 377.916 2.793 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)ccc21 30030231 AAROMIKJLXPSDI-NRFANRHFSA-N 390.487 2.854 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 30573033 PGVUWCLIBMXBGC-GOSISDBHSA-N 393.487 2.705 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(Br)c2)c1 32796167 OHKLRQXAJVFWGU-LLVKDONJSA-N 397.294 2.848 0 40 GFAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cnc2ccccn2c1=O 32902484 SECVLLHJDAOVRT-GOSISDBHSA-N 396.878 2.915 0 40 GFAB COc1ccc(CS(=O)(=O)[C@H](C)C(=O)N(C)Cc2ccccc2)cc1F 32929908 PHSMWOFMDVCBIL-CQSZACIVSA-N 379.453 2.796 0 40 GFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc(-n2cnnn2)c1 33028444 CHBDSYMXULDGAN-IBGZPJMESA-N 396.882 2.883 0 40 GFAB CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 33325497 OWPFTAIVYGBTQH-GDBMZVCRSA-N 375.494 2.746 0 40 GFAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(F)c1 35572290 CCOXZWOIDICZKY-IBGZPJMESA-N 398.434 2.744 0 40 GFAB COc1ccc(-c2ccc(S(=O)(=O)N[C@H](CCSC)C(=O)O)cc2)cc1 36293940 QOCWUJXBVZXHJA-QGZVFWFLSA-N 395.502 2.847 0 40 GFAB COc1ccc(Cl)cc1-n1cnc2cc(C(=O)N3CCOCC3)ccc2c1=O 36366283 HNTAPOAHQITRKY-UHFFFAOYSA-N 399.834 2.520 0 40 GFAB COCc1cccc(C(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)c1 36803846 GSHHWXABMICGNS-UHFFFAOYSA-N 398.488 2.903 0 40 GFAB Cc1ccc([C@H](CNC(=O)CCC(=O)c2cccs2)N2CCOCC2)o1 40018100 MXKOFFUFDDMJCP-HNNXBMFYSA-N 376.478 2.802 0 40 GFAB C[C@@]1(c2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)NC(=O)NC1=O 40117776 KFGDTUDIAYVSRP-KRWDZBQOSA-N 379.750 2.925 0 40 GFAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)c1 40478607 VOIFZGSIIZVGPK-UHFFFAOYSA-N 393.443 2.661 0 40 GFAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCN(c2ncccn2)CC1 44838828 IXOAUOKBZHUCLO-UHFFFAOYSA-N 384.443 2.982 0 40 GFAB O=C(OCc1csc(-c2ccccn2)n1)[C@@H]1CCCN(c2ncccn2)C1 45994951 POMCPXNDNTXFOG-CQSZACIVSA-N 381.461 2.955 0 40 GFAB CC(C)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 48312724 UIAFYLGKGUKZJN-MRXNPFEDSA-N 397.441 2.607 0 40 GFAB C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)C[C@@H](C)O1 48354091 OZJNRTCDUXHQQX-ZIAGYGMSSA-N 381.436 2.608 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)NCc2cc(Br)cs2)c1 48355238 DANYITGHIKKSJA-UHFFFAOYSA-N 389.296 2.812 0 40 GFAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCO[C@H](C(N)=O)C3)o2)cc1 50856900 UPBVYAFRGPKDHQ-IBGZPJMESA-N 391.427 2.643 0 40 GFAB O=C(NCC1(c2ccc(Br)cc2)CCC1)N[C@H]1CCCCNC1=O 52522659 FHENVZXBDOERKG-HNNXBMFYSA-N 394.313 2.839 0 40 GFAB COc1cc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(C(=O)O)cc1OC 53821691 FQGWXKIOSWKZEG-UHFFFAOYSA-N 391.323 2.620 0 40 GFAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 57525958 MEIAKURQJDAZLY-UHFFFAOYSA-N 383.423 2.987 0 40 GFAB C[C@H]1CN(C(=O)NCc2ccnc(-n3cccn3)c2)C[C@@H](c2ccccc2)O1 67591819 KZXUPRGRCYMGQR-LPHOPBHVSA-N 377.448 2.939 0 40 GFAB CN1C(=O)C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1 72242140 XJVZPRLGSXQGPH-PZJWPPBQSA-N 397.450 2.820 0 40 GFAB CCn1c(SCC(=O)O)nnc1[C@H](NC(=O)c1ccccc1F)C(C)C 72328141 DRDAHRFSTCGDKF-CQSZACIVSA-N 380.445 2.741 0 40 GFAB COc1ccc(CN2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1OC 72390795 PRKRVFXCUNVUGL-LJQANCHMSA-N 396.491 2.736 0 40 GFAB CCOC[C@H]1CCCN(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)C1 73044980 DMFMAJNAXQGBIS-ROUUACIJSA-N 375.513 2.980 0 40 GFAB Cn1nc([C@@H]2CCCN(C(=O)NCc3cccs3)C2)n(-c2ccccc2)c1=O 77100601 CQILUTIVYORBGQ-OAHLLOKOSA-N 397.504 2.722 0 40 GFAB CC[C@@H](NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)c1cnn(CC)c1 79019642 RKXDDHRNTVLLNF-QGZVFWFLSA-N 394.497 2.599 0 40 GFAB COc1ccc2cnn(CC(=O)Nc3cccc4c3ccn4C)c(=O)c2c1OC 79473659 BXAICHLKFHYIOP-UHFFFAOYSA-N 392.415 2.544 0 40 GFAB C[C@@H](CSc1ccc(F)cc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 84640632 QCWDSCNIIWFHCC-KXBFYZLASA-N 398.569 2.878 0 40 GFAB CN(C)CCCNC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96037295 SBYXIERNRLWZFM-UHFFFAOYSA-N 376.464 2.594 0 40 GFAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(C(=O)c2ccno2)C1 96100653 NOQYFQQLUVUTRD-OAQYLSRUSA-N 376.416 2.754 0 40 GFAB Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 96114736 YDYMIVDPQPTXQM-IBGZPJMESA-N 388.427 2.987 0 40 GFAB biogenic O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(I)cc1 100057542 BMJVLFNSTCZFLG-OJVARPOJSA-N 391.208 2.849 0 40 GFAB COc1cccc(OCCNC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)c1 100236419 XADXJLZBFUPZNE-UOBYYGQQSA-N 386.492 2.665 0 40 GFAB CNC(=S)N1[C@@H]2CC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100433856 YXFBNTZHZYTMFM-XXTONSQESA-N 376.570 2.754 0 40 GFAB Cc1nc(-c2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cs1 105552551 JZMUKHJXLMDABB-YXUGBTPSSA-N 393.468 2.864 0 40 GFAB CS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 108683884 IVUXRZJTDCMPJI-INIZCTEOSA-N 386.473 2.581 0 40 GFAB COc1ccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 113966446 NYBPKKWCPVDOFE-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1 223349044 AYNRTDCYFNXFLG-UHFFFAOYSA-N 395.824 2.544 0 40 GFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1 223752136 JUMDQAYFOMIHLM-LJQANCHMSA-N 390.505 2.892 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 224699699 RBYDGRVJLHJBRO-UHFFFAOYSA-N 379.434 2.624 0 40 GFAB C[C@H](CNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 225135605 JZYGXRJOKQGLTL-HZPDHXFCSA-N 390.505 2.770 0 40 GFAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cc(Br)cs3)C2)n1 225405592 WSMZRHKYLMRXHF-NSHDSACASA-N 397.298 2.660 0 40 GFAB CCOc1ncccc1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793550 UVELXWOGYZFGPO-UHFFFAOYSA-N 381.480 2.548 0 40 GFAB COc1ccc([C@@H](CC(=O)N[C@@H](C)c2ccc(F)cc2)NS(C)(=O)=O)cc1 225954231 JHENIYYHYBAIPT-SCLBCKFNSA-N 394.468 2.692 0 40 GFAB C[C@@H]1Cc2ccccc2N1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 245237839 YZMGYHPRUNNTMR-APWZRJJASA-N 390.549 2.786 0 40 GFAB O=S(=O)(/C=C/c1ccccc1)NCc1nnc2ccc(-c3cccs3)nn12 253472779 PIVPRJLFPZOKDH-ZRDIBKRKSA-N 397.485 2.943 0 40 GFAB C[C@H](O)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C(=O)O)[C@H]1CC3 253529880 ZHDGKAOGMGOSPM-ISJGVFETSA-N 378.509 2.733 0 40 GFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)[C@@H]4[C@H]5CCCC[C@H]54)[C@H]3C2)cc1 257258147 KSNKIAWTWOYTQJ-QIXFSGBHSA-N 388.533 2.556 0 40 GFAB Cc1cnc(C(=O)N2CCO[C@H](c3cccc(-c4c(C)noc4C)n3)C2)cn1 257258837 KVSVRDRMWGNJCO-SFHVURJKSA-N 379.420 2.666 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CN2CCCCC2)CC1 257268046 MJZOLIIROKGTRO-WOIUINJBSA-N 386.540 2.667 0 40 GFAB COC(C)(C)C(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C(C)=O)n(C)n2)CC1 257310592 UFUQKQJWPFVWCP-QAQDUYKDSA-N 392.544 2.556 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccsc4)C[C@@H]2S3(=O)=O)cn1 306124594 BTZKUSIZPJZWOB-MJGOQNOKSA-N 385.514 2.904 0 40 GFAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N[C@H](C)c4ccccc4)C3)ncn2)n1 390826245 GHKZRHMUPNCJCZ-MRXNPFEDSA-N 376.464 2.593 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 583652515 GWGPRHDMEBWUKE-PKOBYXMFSA-N 394.471 2.856 0 40 GFAB NC[C@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC[C@@H]1C(F)(F)F 625853678 YTIVBSDZQZYPGH-HOCLYGCPSA-N 381.402 2.922 0 40 GFAB Cc1ncccc1C(=O)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615161651 OQEXGGCABHGSBP-LEWJYISDSA-N 398.503 2.750 0 40 GFAB O=C(C1CCC1)N1CCCCCc2cc(F)ccc2OC[C@@H](O)[C@@H](O)CC1 1615161741 PEYUSPGAKWSPRF-RBUKOAKNSA-N 379.472 2.672 0 40 GFAB O=C(COc1ccc2ccccc2c1)NCCCNC(=O)c1ccc(O)cc1 1615610071 RLFZGZOXXDWGEI-UHFFFAOYSA-N 378.428 2.861 0 40 GFAB COc1cccc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)c1 1888876470 WMRYTHVMWIFKHO-CALCHBBNSA-N 380.492 2.991 0 40 GFAB COc1ncccc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988800 IWFXVWCDNZDBKG-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB CC(C)c1ncnc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)c1F 2298049974 GEYYTCFULGOZEO-UHFFFAOYSA-N 384.459 2.809 0 40 GFAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(c2ccccc2C)CC1 12526799 BCMXFVHUKUUFQZ-UHFFFAOYSA-N 387.505 2.994 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)cnc12 12538534 DEMQOKRADUMTLL-CQSZACIVSA-N 375.432 2.849 0 40 GFAB CCCCCn1nc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c2ccccc2c1=O 79019831 XSRRDKPIIGFCMJ-OAHLLOKOSA-N 394.479 2.725 0 40 GFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(c2ncccn2)C1)c1ccccc1 4236244 RFTPNKJCPYUSEF-DOTOQJQBSA-N 387.443 2.514 0 40 GFAB biogenic,in-vitro CC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 6344591 GXPCQRMBSXCGPG-UHFFFAOYSA-N 390.505 2.813 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O 6650220 PRDJUJKQBLHKPP-NTEUORMPSA-N 394.405 2.983 0 40 GFAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NC(=O)Nc3cccc(C)c3C)C2)n1 106179732 JLWVDYMCRHZCDF-SFHVURJKSA-N 398.511 2.572 0 40 GFAB NC(=O)Cn1c(COc2c(Cl)cccc2Cl)nc2ccccc2c1=O 24754308 JSCSHYCCHHGFQA-UHFFFAOYSA-N 378.215 2.768 0 40 GFAB CCN(CC)CCO[C@@H]1CCN([C@H](C)C(=O)Nc2cccc3ncccc23)C1 106922857 GMCKXMPOAKRABF-QZTJIDSGSA-N 384.524 2.995 0 40 GFAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299302 SWJHBZOUQXDTLB-CVAIRZPRSA-N 397.548 2.559 0 40 GFAB biogenic,in-vitro O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@H](C(=O)N2CCOCC2)C1 56322413 MZZJJCGFMPXAOZ-ZDUSSCGKSA-N 375.856 2.532 0 40 GFAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 25739185 WXRCDOVSHGVWLF-UHFFFAOYSA-N 390.399 2.588 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NCc2cc(=O)oc3cc(C)c(O)cc23)c1 2119473 PVNAWWPNAUMCRU-UHFFFAOYSA-N 397.383 2.992 0 40 GFAB biogenic COc1ccc(CNC(=O)[C@@H](C)N2C(=O)NC3(CCCCCCC3)C2=O)cc1 3393687 XIZRUGOQUBOQKV-OAHLLOKOSA-N 387.480 2.735 0 40 GFAB CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1 95400319 CSCZHCQJZDZGOB-CQSZACIVSA-N 391.497 2.973 0 40 GFAB CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)c2)n1 48362755 DVLMIIBBWWQNHA-SFHVURJKSA-N 398.463 2.635 0 40 GFAB CC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 25366763 SFABCUDZMOYONP-UHFFFAOYSA-N 376.453 2.680 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2OC)ccc1OC 10008896 AOBYTKBVOSHULF-UHFFFAOYSA-N 378.450 2.563 0 40 GFAB CCn1c(SCC(=O)NC2Cc3ccccc3C2)nnc1-c1ccncc1 10494367 YMHOTZIMSCGUNL-UHFFFAOYSA-N 379.489 2.736 0 40 GFAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(N2CCCCC2)cc1 3412624 AWWHZENXEWEEPE-FQEVSTJZSA-N 396.443 2.999 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C)no1 3505600 ODNLPOFKFVHITB-UHFFFAOYSA-N 384.436 2.828 0 40 GFAB Fc1cccc(-n2nnnc2SCCCc2nc(-c3ccncc3)no2)c1 12942309 QBDPDQYIYOVFTM-UHFFFAOYSA-N 383.412 2.971 0 40 GFAB CC[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1nnc(C)s1 13945041 AVBCSYCIAXHDJF-LLVKDONJSA-N 375.483 2.546 0 40 GFAB CCc1ccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc1 4483198 MTABMZUWRPXRMF-UHFFFAOYSA-N 397.862 2.913 0 40 GFAB CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 408621162 LGFVROTUHZESDL-UHFFFAOYSA-N 386.429 2.761 0 40 GFAB COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N(C)C)=N1 4623605 QUGGMKYIGIRZLW-CYBMUJFWSA-N 392.790 2.971 0 40 GFAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)N1CCOCC1 4735504 FPYQJRPGLYVSBO-NRFANRHFSA-N 375.428 2.572 0 40 GFAB COc1ccc(N2C(=O)[C@H]3C(C4=Cc5ccccc5O[C@H]4C)=NO[C@H]3C2=O)cc1 9302707 FGHSPVBCHQTHCN-FOPRYUNUSA-N 390.395 2.804 0 40 GFAB COC(=O)c1cc(CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)ccc1OC 6850071 WVFIQBLPLIIRLN-GOSISDBHSA-N 399.443 2.970 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 67285933 GIHGPEYHVAIJLY-SFHVURJKSA-N 393.434 2.868 0 40 GFAB Cn1c(SCC(=O)c2cccc(N3CCCC3=O)c2)nnc1-c1ccncc1 7363738 FTSLZKPKAOHYFP-UHFFFAOYSA-N 393.472 2.979 0 40 GFAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccccc1C(=O)NC1CC1 7577699 QZNXEHSSSZZUIG-UHFFFAOYSA-N 389.506 2.735 0 40 GFAB O=C(CCC(=O)N1CCOCC1)N[C@H](c1ccc(F)cc1)c1cccs1 9691171 STYRXNHBEBBQAL-LJQANCHMSA-N 376.453 2.732 0 40 GFAB COc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(OC)c1 69074426 DYBSTZBLMWOTLG-KBXCAEBGSA-N 383.448 2.870 0 40 GFAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccco3)nn12 408621736 NPHPJIATEGYPDH-UHFFFAOYSA-N 384.446 2.881 0 40 GFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1Cl 8395734 URJDBTXLXQKYKL-VIFPVBQESA-N 381.816 2.545 0 40 GFAB COc1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1OC 20030131 SZSFNLBMWJGYEA-UHFFFAOYSA-N 399.472 2.582 0 40 GFAB CC(C)(O)c1cn(C2CN(C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2)nn1 95998124 UEPKBNJRLHLLQP-UHFFFAOYSA-N 394.397 2.639 0 40 GFAB COC(=O)c1cccc(Cn2nc3n(c2=O)C(=O)N(c2cccc(Cl)c2)C3)c1 1547201229 RBIFGBWCXYOXSO-UHFFFAOYSA-N 398.806 2.521 0 40 GFAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nc(C)cs1 8734453 AFDFADMTSWYEAL-IBGZPJMESA-N 384.461 2.779 0 40 GFAB biogenic CC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 22363490 NSIYCAXBDWYYRW-SFHVURJKSA-N 394.468 2.868 0 40 GFAB CCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1 408550153 AKUSQMYPKDJYDF-CQSZACIVSA-N 376.478 2.872 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 36484867 OQFQIYSEMINQAA-KUHUBIRLSA-N 387.480 2.741 0 40 GFAB CCCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@@](O)(C(F)(F)F)C1 409346990 MZCQOPNEZGNFLG-INIZCTEOSA-N 387.358 2.663 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)c1c(-n2cnnn2)sc2c1CCC2 524733033 NHFGZXDQXZVQDT-UHFFFAOYSA-N 383.433 2.626 0 40 GFAB COc1ccc(-c2ncc(C(=O)N(CC(=O)O)C3CCOCC3)s2)cc1 531748330 XFFNWFOJJKTGAJ-UHFFFAOYSA-N 376.434 2.525 0 40 GFAB O=C(Nc1ccc2c(c1F)CCNC2=O)c1cnc(Oc2ccccc2)cn1 556493510 DZTWIRFCJZEPGH-UHFFFAOYSA-N 378.363 2.946 0 40 GFAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218546491 YQANDJHLJQZUBG-LNLFQRSKSA-N 378.421 2.791 0 40 GFAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71980332 GWKNIXCZOKUNCI-LJQANCHMSA-N 382.460 2.968 0 40 GFAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)COc3ccccc3)C2)ccn1 72356494 UGIQNHGZIKNOOY-MRXNPFEDSA-N 377.448 2.839 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 219012409 NFKCSZLRUKUFFH-KRWDZBQOSA-N 390.505 2.508 0 40 GFAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)c3cnccn3)nc(C)n2)s1 72360272 QHHBNPKPOPEICJ-CQSZACIVSA-N 396.480 2.710 0 40 GFAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCCc1c[nH]c2ccc(F)cc12 72325643 WGKSXNGGMOYYER-GOSISDBHSA-N 394.406 2.756 0 40 GFAB biogenic O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(F)cc1Br 45990032 DVNIJVOTKCBGTB-UHFFFAOYSA-N 376.189 2.745 0 40 GFAB C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCCO2 222656372 BMTYIIPPLLHWQA-INIZCTEOSA-N 382.460 2.781 0 40 GFAB CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223885865 JZMRGDJLCVGHDY-UHFFFAOYSA-N 384.498 2.512 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 223625781 LWLVNIUKTLVMGC-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21 96053277 QLNJRCPCIIZFMG-QGZVFWFLSA-N 379.460 2.759 0 40 GFAB COc1ccc(C(=O)Nc2nnc(CCN3CCCCC3)s2)cc1OC 95116129 LTUPIFZXEXXARV-UHFFFAOYSA-N 376.482 2.836 0 40 GFAB Cc1ccc(CC(=O)N2C[C@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)cc1 96241023 ZHFVTXSODMYBJA-HXUWFJFHSA-N 393.487 2.826 0 40 GFAB Cc1c(CN2CCC3(CC[C@@H]4ON=C(C(=O)NC5CCCC5)[C@@H]43)CC2)cnn1C 248035272 MMYCMQTZTUVLOP-RBUKOAKNSA-N 399.539 2.534 0 40 GFAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3ccc4ccccc4n3)C2)C1 248046061 WIIGKHDZGCHYPH-MBSDFSHPSA-N 397.519 2.824 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 260796160 XSHLWSWGNLTDSK-OAHLLOKOSA-N 378.469 2.648 0 40 GFAB O=C(N[C@H]1CC2(CCNCC2)Oc2ccccc21)[C@H]1CNCc2ccccc21 1122224717 OVVKCQXCTHWXEP-PMACEKPBSA-N 377.488 2.636 0 40 GFAB CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5706803 GAXCZUJCTFFZLL-OALUTQOASA-N 398.459 2.894 0 40 GFAB O=C(Cn1nnc2ccccc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088553 ZHROKGYQPKMFPN-KRWDZBQOSA-N 399.458 2.690 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187405 BRORVZJJBVQITI-UHFFFAOYSA-N 399.476 2.712 0 40 GFAB Cc1noc(C)c1Cn1nc(C)c(S(=O)(=O)N2CCc3ccccc32)c1C 12758467 TWESOELLTKISAE-UHFFFAOYSA-N 386.477 2.904 0 40 GFAB C[C@H](NC(=O)Cn1nc(O)c2ccccc2c1=O)c1ccc2c(c1)CCCC2 15092318 DJIUAEWQWMZYKW-AWEZNQCLSA-N 377.444 2.858 0 40 GFAB COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc3cccnc23)cc1 15936145 DGVGDRTZCJMNRK-NDEPHWFRSA-N 397.456 2.569 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(C)c(OC)c1 18094795 HSVFHPNXWULHPG-UHFFFAOYSA-N 384.432 2.876 0 40 GFAB Cc1ccc([C@@H](C)C(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)cc1 19136364 ATGDIECVLGBIHI-AEFFLSMTSA-N 377.492 2.737 0 40 GFAB CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)c1cnn2cccnc12 19451491 XIJNOMZKGRTRGV-LJQANCHMSA-N 381.455 2.851 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 6169360 UCISKUXPOUBJGV-UHFFFAOYSA-N 398.440 2.880 0 40 GFAB O=C(NCC1(N2CCSCC2)CCOCC1)c1nc2ccccc2s1 1888854590 DXLFJXSJUCDHMT-UHFFFAOYSA-N 377.535 2.624 0 40 GFAB CCc1nc2ccccc2n1CC(=O)NC[C@@H](c1cccs1)N1CCOCC1 23745090 QNXZIHGKAYZNLG-SFHVURJKSA-N 398.532 2.850 0 40 GFAB COCCCn1c(O)nnc1S[C@H](C)C(=O)Nc1cccc2ncccc12 24308562 QVZLPUOGINOLSO-GFCCVEGCSA-N 387.465 2.688 0 40 GFAB COCCN(CCOC)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147239 JUNLNWPSPDAVMZ-UHFFFAOYSA-N 391.468 2.866 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1 9828212 QCEADBOANWEQRP-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB COc1cc(C(=O)NC[C@@H](c2cccn2C)N2CCCC2)cc(OC)c1OC 11845535 WPSYFINROFUWEG-KRWDZBQOSA-N 387.480 2.618 0 40 GFAB COc1ccc(CCNC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 49027009 FVYTYGFDVGSKLC-UHFFFAOYSA-N 386.452 2.594 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575608540 GJIKLHVKZCLXAD-CYBMUJFWSA-N 376.800 2.934 0 40 GFAB COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)n2cccn2)cc1 575612554 BDBDCEBBKCJOHW-GOSISDBHSA-N 391.518 2.705 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccco1)c1cccs1)c1c(F)cccc1F 225589372 MKWXHDBTEZUFNN-MRXNPFEDSA-N 385.413 2.834 0 40 GFAB O=C(NCc1nnc2ccccn12)[C@@H]1CCCN(c2nc3ccccc3s2)C1 40115425 QLZAUQOJPJNYAQ-CQSZACIVSA-N 392.488 2.872 0 40 GFAB Cc1ccc(SCCNC(=O)CCNS(=O)(=O)c2cccs2)cc1 32740647 KSINQVVCIXLQLD-UHFFFAOYSA-N 384.548 2.633 0 40 GFAB CCCNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1Cc1ccco1 22488172 QRIFMLAONVFIIU-AWEZNQCLSA-N 377.514 2.917 0 40 GFAB C[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cc2ccccc2o1 23082232 GCOKRCGCVWMNNX-CQSZACIVSA-N 390.447 2.964 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)COCc2nc3ccccc3s2)C[C@H](C)O1 25407814 ONCQBWDHQGMOGV-GJZGRUSLSA-N 391.537 2.817 0 40 GFAB COC(=O)[C@H](C)NC(=O)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 61721731 YGRITGMEXQFKAN-NSHDSACASA-N 390.802 2.747 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNC(=O)CN2CCOc3ccc(Cl)cc32)n1 78903146 NDBVYAXRDSMDQT-CYBMUJFWSA-N 376.888 2.805 0 40 GFAB CC(=O)N[C@@H](CC(=O)NC1(c2noc(C)n2)CCCCC1)c1cccs1 23508642 SNKBKMNMOMZDLP-AWEZNQCLSA-N 376.482 2.983 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O 7005769 SFEDZEPILFOVOV-NRFANRHFSA-N 381.432 2.874 0 40 GFAB CCNc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)s1 7248377 ZWQCSGDFMLJYKJ-JTQLQIEISA-N 377.495 2.826 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 7429720 FFBBQFLOBPXPBT-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB CN(C)C(=O)COc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1 55871779 WGDTZFXHHOMBSE-UHFFFAOYSA-N 375.856 2.535 0 40 GFAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1 8417564 NHRFZLXOMBKKDJ-UHFFFAOYSA-N 398.415 2.764 0 40 GFAB Cc1ccccc1C1(C(=O)NCc2cccnc2N2CCOCC2)CCOCC1 57386508 PBWCBFGEQRDSOT-UHFFFAOYSA-N 395.503 2.591 0 40 GFAB O=C(CN1CCCCC[C@H]1c1noc(-c2ccccc2)n1)NC1CCOCC1 96000504 DUXOHXJRTMZBQN-SFHVURJKSA-N 384.480 2.949 0 40 GFAB Fc1ccc(-c2nnc3n2C[C@H](NCc2ccc(-n4cncn4)cc2)CC3)cc1 96002656 NDZZGDXIWFMVTJ-GOSISDBHSA-N 389.438 2.770 0 40 GFAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O 101983960 BDPAVTCSZHYZGE-AWEZNQCLSA-N 387.399 2.810 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 48332794 JIHMAPQQYLBXSI-CABCVRRESA-N 376.453 2.590 0 40 GFAB CCOC(=O)c1sc2ncn(C[C@@H](O)c3ccccc3F)c(=O)c2c1C 28913934 YMKPOZJJGGILEP-CYBMUJFWSA-N 376.409 2.816 0 40 GFAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3n[nH]c(=O)c4ccccc34)o2)cc1 12895546 NGGUDWYNNMQPBG-NSHDSACASA-N 392.371 2.900 0 40 GFAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O 64987625 LZGPAIDJXMMCSV-UHFFFAOYSA-N 378.432 2.716 0 40 GFAB COc1cccc(C(=O)NCC(=O)Nc2ccccc2Br)c1OC 14170379 BGJFQLANYUYADA-UHFFFAOYSA-N 393.237 2.835 0 40 GFAB CCCn1c2ccccc2c2nnc(SCC(=O)Nc3nncs3)nc21 4676464 ZAGRLVPUMZCBQP-UHFFFAOYSA-N 385.478 2.972 0 40 GFAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(F)cc2)c1 4710853 CFALFVNGDHYVEQ-UHFFFAOYSA-N 399.422 2.533 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1OC 4852222 MDRPNTZAQFOCOY-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB Cc1ccccc1OCC(=O)N(Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 6810220 LTPMLGPCOVCBRB-MRXNPFEDSA-N 393.530 2.960 0 40 GFAB C[C@H]1C[C@@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]12 4915693 VELZWUNEVHWCSX-BFQNTYOBSA-N 389.883 2.784 0 40 GFAB CCCCN(C(=O)C(C)=C1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 95452388 WXSXFMUQXCASNE-UHFFFAOYSA-N 376.501 2.798 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1C1CC1 5959845 BDJYLUTWMUUJMX-UHFFFAOYSA-N 386.250 2.502 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 15520140 MVZRNLXWTZHECY-UHFFFAOYSA-N 379.507 2.810 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)cc1 7298947 PEUXAAWKUNAVSV-ZDUSSCGKSA-N 384.461 2.980 0 40 GFAB CCNC(=O)c1cccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1 67646076 DTPDRVISUIINAK-UHFFFAOYSA-N 395.438 2.761 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1nnc2ccccn12 15972514 WUUXNVMDMJAKAC-GFCCVEGCSA-N 397.913 2.550 0 40 GFAB CC(C)CCC[C@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16046685 UOBAMJCZWHHOAW-HNAYVOBHSA-N 398.507 2.962 0 40 GFAB COc1ccc(NC(=O)N(C)[C@H]2CCC[C@H]2S(C)(=O)=O)cc1OC(F)F 83855553 NZNCOCBHRPZWJQ-SMDDNHRTSA-N 392.424 2.726 0 40 GFAB COC(=O)c1cc(S(N)(=O)=O)ccc1N[C@H]1CCSc2c(F)cccc21 70012078 WKMIODRVMAANTA-HNNXBMFYSA-N 396.465 2.909 0 40 GFAB C[C@@]1(C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)CC1(Cl)Cl 8329480 VKRLAERMKOAQAN-HNNXBMFYSA-N 377.268 2.830 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1 8779722 WJFIVRJBPNGRTB-UHFFFAOYSA-N 392.507 2.933 0 40 GFAB Cn1nc(CC(=O)N[C@@H](c2ccccc2)C(F)(F)F)c2ccccc2c1=O 84297783 GLRNYYCREXYAAW-KRWDZBQOSA-N 375.350 2.896 0 40 GFAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCCN(C(=O)Oc2ccccc2)CC1 95959338 OCRPEKJUIZVECI-IBGZPJMESA-N 395.459 2.906 0 40 GFAB Cc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)c(Br)c1 95972947 PYFZTISXNIDIPL-UHFFFAOYSA-N 376.316 2.979 0 40 GFAB C[C@H](CN(Cc1ccccc1)C(=O)CCNC(=O)/C=C/c1ccco1)C(=O)O 95969788 WTLHSFCVNSQWIJ-ZNFPLGDCSA-N 384.432 2.549 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 224271145 KPXGLUZYSKCRAC-UHFFFAOYSA-N 399.472 2.745 0 40 GFAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 134129422 UNWGQBNTBSJVQF-UHFFFAOYSA-N 389.408 2.950 0 40 GFAB CN(Cc1ccccn1)C(=O)c1nc(-c2ccnn2CC2CC2)n2ccncc12 306128086 GPTIXIMIXUPWKK-UHFFFAOYSA-N 387.447 2.670 0 40 GFAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 218566932 JZWLTCJZSATAHA-OTWHNJEPSA-N 379.909 2.780 0 40 GFAB O=C1N(c2ccc(Br)cc2)Cc2nn(Cc3ccccc3)c(=O)n21 1547201159 YGROJBZILSPCPJ-UHFFFAOYSA-N 385.221 2.844 0 40 GFAB CCCn1cc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)cn1 36619056 SKLBHVFWGBOGEP-UHFFFAOYSA-N 393.426 2.809 0 40 GFAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241660 KLALBHKZBFPJKJ-OALUTQOASA-N 388.443 2.757 0 40 GFAB COCCNc1cc(-c2noc([C@@H]3CCCN3Cc3ccncc3)n2)ccn1 35424566 GTZMWCJRWMCESO-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro c1cncc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)c1 35425304 JKYXBNWQLLGFCG-SFHVURJKSA-N 392.463 2.700 0 40 GFAB biogenic,in-vitro COc1ccc([C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C(=O)O)cc1Cl 569366930 QKYRKAPZHKLUGJ-HWPZZCPQSA-N 377.828 2.683 0 40 GFAB Cn1cc(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cn1 72346188 QZPQPXLHANMKOU-AWEZNQCLSA-N 380.427 2.618 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935069 FYPVKJKFSVWYGD-DNVCBOLYSA-N 388.489 2.708 0 40 GFAB Cc1cccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1 224344423 XDUMVNZGFODKDV-UHFFFAOYSA-N 375.498 2.642 0 40 GFAB CN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)C1CCCC1 44901621 KCFBPPFUMAPYEL-UHFFFAOYSA-N 389.315 2.616 0 40 GFAB O=C(Cc1c(F)cccc1Cl)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225784749 IGDSLWCHQKZHNF-UHFFFAOYSA-N 389.789 2.754 0 40 GFAB CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 220287392 XKXGSKTZMFEYDG-AWEZNQCLSA-N 378.469 2.859 0 40 GFAB CC(C)[C@@H](NC(=O)N1CC=C(c2ccnn2C)CC1)c1nnc2ccccn12 583221026 QFRULQMPKNNBHF-GOSISDBHSA-N 379.468 2.659 0 40 GFAB O=C(NCCO)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037446 AFSINFJIQMISLO-UHFFFAOYSA-N 375.432 2.507 0 40 GFAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4ccccn4)OCC[C@@]31C2 257259193 KXGZNKHRRAOPTQ-XSRHDBCCSA-N 385.508 2.548 0 40 GFAB O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)[C@@H]1COc2ccccc2O1 96121721 OFBBOCSEAUIIQT-NRFANRHFSA-N 390.443 2.779 0 40 GFAB CCCc1noc(CC2CCN(C(=O)c3ccc(C(=O)O)cc3F)CC2)n1 1616029532 DNSZWPSHHICRCS-UHFFFAOYSA-N 375.400 2.954 0 40 GFAB Cc1cccc(-n2cnc3cc(C(=O)N[C@H]4CCc5c(nnn5C)C4)ccc32)c1 616702975 LKTHALFRYFPEFV-INIZCTEOSA-N 386.459 2.750 0 40 GFAB C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)CC(=O)N1Cc1ccccc1 664808728 AHUNTKSRFYAREC-UXBAZQIWSA-N 393.462 2.953 0 40 GFAB COc1ccccc1OCC(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1 1775995270 KWCPRQDBRHJYEK-UHFFFAOYSA-N 399.491 2.792 0 40 GFAB Cc1cc2n(n1)C1(CCN(C(=O)c3c(C)noc3C)CC1)CC(=O)N2CC1CC1 1772596570 UOOGLJQXJREFJV-UHFFFAOYSA-N 397.479 2.575 0 40 GFAB CCCCc1nc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)c(Cl)[nH]1 12087378 AOHWCIWBUSNJJT-UHFFFAOYSA-N 390.919 2.648 0 40 GFAB O=C(CCc1cc(Cl)no1)NCCc1cc2nc(-c3ccncc3)ccn2n1 12186667 GAKXJQUAAJQPJL-UHFFFAOYSA-N 396.838 2.724 0 40 GFAB COc1ccc(-c2nnc(S[C@H]3CCc4ccccc4C3=O)n2N)cc1OC 12371372 LMPWXYJCBKMFDB-KRWDZBQOSA-N 396.472 2.966 0 40 GFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1 12996061 MVGPXZVEBLWTSL-UHFFFAOYSA-N 380.897 2.651 0 40 GFAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cnn(C)c1)Cc1ccccc1O2 19016301 LVWHHLGWVXOMGU-UHFFFAOYSA-N 382.508 2.974 0 40 GFAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)c1ccn(C)n1)cn2C 19287138 QUCGXDJTGSFJFT-UHFFFAOYSA-N 390.447 2.616 0 40 GFAB Cn1ccnc1-c1nc(NCCN2CCOCC2)ncc1-c1ccc(Cl)cc1 19291675 VQFLEOYGAMIVAN-UHFFFAOYSA-N 398.898 2.942 0 40 GFAB COc1ccc(C2=C(c3ccccc3)C(N3CCC[C@@H](O)C3)=NS2(=O)=O)cc1 19553854 GYEQIIZGDMDTMM-QGZVFWFLSA-N 398.484 2.762 0 40 GFAB CC(=O)N[C@@]12CN(C)CC[C@@H]1CN(C(=O)C1(c3cc(C)cc(C)c3)CCCC1)C2 19713779 HXGXJOOTDJAPHK-HYBUGGRVSA-N 397.563 2.784 0 40 GFAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CN(C(=O)C2CCN(C)CC2)C1 19747573 FCGJXTXTYDQQTK-IBGZPJMESA-N 375.488 2.535 0 40 GFAB Cc1noc(CCC(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)n1 19748563 CTYOTIBBADAALI-HNNXBMFYSA-N 384.480 2.817 0 40 GFAB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 6207921 CUWKSSCQUOWJFR-XNTDXEJSSA-N 380.400 2.987 0 40 GFAB CCCc1nnsc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206785739 FLFNZCPOBCXSCC-LLVKDONJSA-N 385.415 2.913 0 40 GFAB Cc1cnc(-c2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)no2)cn1 12187724 MAZBEHUGXJWXPA-OAHLLOKOSA-N 381.411 2.923 0 40 GFAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)[C@H]1OCCc2ccccc21 585149516 YQMIULQMZJXBSP-QFIPXVFZSA-N 392.503 2.754 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CCC(COc2ccc3nccn3n2)CC1 1888909461 VNMSIRMDGAJGPH-NRFANRHFSA-N 392.459 2.661 0 40 GFAB O=c1c2c3c(sc2ncn1C[C@H](O)COCc1cccs1)CCCC3 14226597 QFDAZYUIHXGSSM-LBPRGKRZSA-N 376.503 2.976 0 40 GFAB O=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 15470086 KIYBKSLJZBFPNE-IBGZPJMESA-N 395.434 2.808 0 40 GFAB CCn1c(C)nc2cc(C(=O)NC[C@@]3(O)CCCN(c4ccccn4)C3)ccc21 2037880082 VPNLYHUWQCFYHI-QFIPXVFZSA-N 393.491 2.521 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985721 TXBMCYXMZWUVAW-JOCHJYFZSA-N 382.435 2.650 0 40 GFAB O=C(N1CCN(c2ncc(-c3ccsc3)n3ccnc23)CC1)C1(F)CCC1 1565552905 CMIFQSUWJRAEST-UHFFFAOYSA-N 385.468 2.999 0 40 GFAB COc1ccc(CC(=O)N2CC(c3nc(-c4cccs4)no3)C2)cc1OC 49484203 JBTVJSDPNUUYCD-UHFFFAOYSA-N 385.445 2.984 0 40 GFAB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccsc1)n1nc(C)cc1C 585148094 RZEXWRUEFOSFHV-QGZVFWFLSA-N 398.488 2.914 0 40 GFAB CC[C@@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 36585399 GMDDGPQTZAVEHI-DOMZBBRYSA-N 378.494 2.893 0 40 GFAB CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O)c1 31776856 SSDKTWNORFYEFI-UHFFFAOYSA-N 382.825 2.541 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 32306449 CVAKYZHXNOJPJV-UHFFFAOYSA-N 382.508 2.699 0 40 GFAB Cc1ccccc1N1CCN(C(=O)NCc2ccc(-n3cccn3)nc2)CC1 32802678 FCJLPEXNYIYMEF-UHFFFAOYSA-N 376.464 2.608 0 40 GFAB O=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 41246639 FBZFXXDMLCHSOK-SFHVURJKSA-N 387.867 2.932 0 40 GFAB Cc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 629000 IOCWKEQWYWXZBP-KFXAOSDLSA-N 377.425 2.520 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22786801 WJFYWKBCMAEBKR-KZAFSQJUSA-N 396.535 2.776 0 40 GFAB COc1ccc(C)cc1CN1CCN(CC(=O)N2CCc3ccccc32)CC1 22800322 LMJUJLVWPZUPIE-UHFFFAOYSA-N 379.504 2.711 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(F)c1 800436 URNWASCOFMYXOB-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB CCOC(=O)c1c(N)n(CCOC(=O)c2ccco2)c2nc3ccccc3nc12 2306639 BYBXOEUMEKHIRP-UHFFFAOYSA-N 394.387 2.793 0 40 GFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 2616696 MYSNECXVQLAGMN-QFIPXVFZSA-N 379.460 2.859 0 40 GFAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 4569124 OZXYSNQHKAVLLS-AWEZNQCLSA-N 380.416 2.548 0 40 GFAB CCOc1cc(CN[C@@H](CC)CO)cc(I)c1OC 4670873 QUCCOJZVWGWNSM-NSHDSACASA-N 379.238 2.559 0 40 GFAB COc1ccc(-c2cc(N3CCN(C(=S)NC4CC4)CC3)nc(C)n2)cc1 4753418 CETUGSFUODGEAT-UHFFFAOYSA-N 383.521 2.620 0 40 GFAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 4885008 RVHHJAYFAYIYDF-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB CCCn1c(C)c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 4912449 ZBDBMLBYCSHXCN-FMIVXFBMSA-N 391.475 2.890 0 40 GFAB O=C1CCCN1C(=O)CSc1nnc(-c2cccc(Br)c2)o1 5262655 RPXJEZUBBVQLAT-UHFFFAOYSA-N 382.239 2.740 0 40 GFAB CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 5297909 CPRKHVFCHXANHW-LJQANCHMSA-N 397.500 2.982 0 40 GFAB CCN(CC)CCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304914 XKMDTELPCFPCFW-UHFFFAOYSA-N 396.466 2.656 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CSC)ccc2OC)cc1 5602668 JAHGRPHAIWJCQJ-UHFFFAOYSA-N 396.490 2.806 0 40 GFAB CCOc1cc(C(=O)OCC(=O)NCC(F)(F)F)cc(OCC)c1OCC 5980215 SMYMPAKXOHSAKP-UHFFFAOYSA-N 393.358 2.718 0 40 GFAB CC(C)CCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 6353509 YHPSYSCKLOGKOZ-UHFFFAOYSA-N 384.860 2.913 0 40 GFAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc2c(c1)OCCCO2 6552849 HCDSCVVVTXQGMH-UHFFFAOYSA-N 385.807 2.850 0 40 GFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)ccc2OC)C1=O 6648228 DRXIWIABPHZENA-GDNBJRDFSA-N 378.450 2.656 0 40 GFAB CC(C)CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 6719293 CPDVTBZKODMVEU-HUUCEWRRSA-N 396.534 2.579 0 40 GFAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc2c(c1)OCCO2 6931246 PNVWNXRAPAQCGM-UHFFFAOYSA-N 384.432 2.690 0 40 GFAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1OC 6964058 BNLZHRBHEQMRLO-SXGWCWSVSA-N 392.477 2.902 0 40 GFAB COc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)c1 7105114 JLNLFNLWDCVKNH-INIZCTEOSA-N 397.450 2.536 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 8130360 JIDUSECZHIWFAY-AWEZNQCLSA-N 392.477 2.677 0 40 GFAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)cc1 8415764 VWXXFRSDLJZMAU-UHFFFAOYSA-N 398.415 2.682 0 40 GFAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8719109 VOXHAKYQPIUBIE-JOCHJYFZSA-N 383.492 2.809 0 40 GFAB Cc1nn(-c2ccccc2)c(Cl)c1CNC(=O)C(=O)NCc1cccs1 8850514 FSSCIPHVOPLONN-UHFFFAOYSA-N 388.880 2.828 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1 8899486 WFEWWQRKTOZLJY-GOSISDBHSA-N 393.534 2.822 0 40 GFAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)[nH]c(=O)c1CCO 8993881 BPXFGRNORXULDL-SECBINFHSA-N 385.848 2.525 0 40 GFAB CCC(C)(C)C1CCC(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)CC1 9336759 VPHZQDXNQAOVMA-UHFFFAOYSA-N 398.507 2.607 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)c1cnn(Cc2ccccc2Cl)c1 9609456 DRVHQZBJSVVWHQ-HNNXBMFYSA-N 381.885 2.609 0 40 GFAB CC(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 9698751 DYYHLLCBZRJZAV-CQSZACIVSA-N 390.484 2.905 0 40 GFAB COc1ccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1OC 10410887 YUQWITWPQFUGPH-UHFFFAOYSA-N 377.824 2.987 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC 11613837 NHIIUGTWMUMUFL-UHFFFAOYSA-N 385.869 2.887 0 40 GFAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCn2ccc(C)n2)cc1 12145666 DVKFZNLLSQXPOP-LJQANCHMSA-N 379.464 2.970 0 40 GFAB COCCCNC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156883 VEAYNKHVBVTJBI-KRWDZBQOSA-N 378.444 2.658 0 40 GFAB CCc1cnc2c(c1N1CCC(Cc3ccccc3)CC1)c(=O)n(C)c(=O)n2C 12226928 GVTCMHQJSFKTGD-UHFFFAOYSA-N 392.503 2.654 0 40 GFAB Cc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 12366332 YQPJHKVPMBSFSE-DETIRCLXSA-N 379.504 2.987 0 40 GFAB NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12757012 NKEBLSDJEHFUQV-UHFFFAOYSA-N 386.411 2.789 0 40 GFAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c(C)noc2n1 12800458 LHQQTBSQGSPHJR-UHFFFAOYSA-N 394.431 2.526 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 13554412 PECOTYWKYPEQDY-MANSERQUSA-N 378.403 2.661 0 40 GFAB CCc1c(O)nc(S[C@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O 13565068 NAQMBGJIKOMESA-CQSZACIVSA-N 375.450 2.750 0 40 GFAB COc1cc2oc(=O)c(CC(=O)N=c3[nH]c4ccccc4[nH]3)c(C)c2cc1OC 13721642 KNTFMPHDDMTUQM-UHFFFAOYSA-N 393.399 2.598 0 40 GFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)c1cccs1 15676411 INDBZLKWLLNXOA-INIZCTEOSA-N 381.457 2.733 0 40 GFAB biogenic,in-vitro Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)N2 19127576 VGJZTRFSESHAQA-CBBWQLFWSA-N 386.418 2.897 0 40 GFAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCCN(Cc3cccc(C)n3)CC1)CO2 19236267 HLWORPPGWRNJNC-LJQANCHMSA-N 395.503 2.684 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3C)C2)c2cccnc21 19237163 SQCWZSFLMHRQCZ-LJQANCHMSA-N 377.492 2.865 0 40 GFAB Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)[C@H]1CCCCO1 19291740 PHOAEFYDQFRJFM-GOSISDBHSA-N 397.454 2.775 0 40 GFAB CCn1nc(C)c(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19523827 INOLWCATLNCXDC-SFHVURJKSA-N 398.555 2.973 0 40 GFAB Cc1ncsc1-c1cc(CN2CCC(NC(=O)C(C)(C)C)CC2)n(C)n1 19562416 XMOVACLBRPZPIN-UHFFFAOYSA-N 375.542 2.979 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2C)n1 19698344 YBWJMZLPSOQLRT-NRFANRHFSA-N 394.523 2.526 0 40 GFAB COCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(N)=O)CC1 19700093 QSSRRQCZFLSDRL-UHFFFAOYSA-N 384.451 2.776 0 40 GFAB CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1cccc3cccnc13)CC2 19706163 ZVRBWOYWBOPIAT-SFHVURJKSA-N 390.491 2.682 0 40 GFAB O=C(NCC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21)c1ccccc1 19749002 GOVULEJIVROCAJ-SFHVURJKSA-N 391.475 2.633 0 40 GFAB CCc1ccccc1NC(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C 20213521 LURWXMOFXXEWCN-UHFFFAOYSA-N 387.436 2.890 0 40 GFAB Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1C 20493131 NKBNLSYHHNAFTQ-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB CN(C)CCCN1CNC2=NC3(CCCCC3)n3c(nc4ccccc43)N2C1 20676457 LFPQEMOCYHNCAO-UHFFFAOYSA-N 381.528 2.601 0 40 GFAB Cc1ccc(Cn2ccs/c2=N\C(=O)CNC(=O)c2ccccc2F)cc1 22834138 WWRBDZBPRIKOFR-ATJXCDBQSA-N 383.448 2.903 0 40 GFAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1ccc(F)cc1F)CSC2 23138808 XGGRCDBGUHNLMZ-UHFFFAOYSA-N 380.420 2.687 0 40 GFAB Cc1cccc2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)cc(=O)n12 23675198 ICRPUHVUAKASBW-ZDUSSCGKSA-N 389.506 2.738 0 40 GFAB CC(=O)c1ccccc1NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1 24765917 WKBZIKWCXRQBJD-UHFFFAOYSA-N 376.420 2.928 0 40 GFAB CCn1cnnc1-c1cccc(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 25280481 HXBSXCQMGKCWQD-UHFFFAOYSA-N 396.476 2.730 0 40 GFAB O=C(CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CC1 25355121 CAOWVDOPTUCUFW-UHFFFAOYSA-N 376.810 2.545 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1C 32439917 VPZRCBHPIARXSD-MRXNPFEDSA-N 382.526 2.567 0 40 GFAB CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C)cs1 32722022 VGRGHGKBEWXXQH-YGRLFVJLSA-N 392.506 2.543 0 40 GFAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC(NC(=O)c2ccccc2)CC1 32860393 RTYPKFJHFBWIHJ-KRWDZBQOSA-N 377.488 2.859 0 40 GFAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C 36370027 MUKSYFIKDQQGRK-UHFFFAOYSA-N 383.452 2.671 0 40 GFAB biogenic CC1(C)NC(=O)N(Cc2ccc(CNC(=O)NCc3ccccc3F)cc2)C1=O 36390859 LLGRRQKRLXYHGM-UHFFFAOYSA-N 398.438 2.656 0 40 GFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 45644742 ORVMXSHSBFLIKK-BFUOFWGJSA-N 377.400 2.818 0 40 GFAB COc1ccc([C@H](C)NC(=O)N2CCN(c3nccs3)CC2)c(OC)c1 46078810 VTRCOOMPAOHWAG-ZDUSSCGKSA-N 376.482 2.753 0 40 GFAB COc1ccc2c(c1)N(CN1CCN(Cc3cccc(Cl)c3)CC1)C(=O)C2=O 46476585 GLADOJBHJPMUHT-UHFFFAOYSA-N 399.878 2.653 0 40 GFAB COc1ccccc1NC(=O)C1CCN(C[C@@H](O)c2ccc3c(c2)OCO3)CC1 48286825 MHHSVEFUXNLERF-GOSISDBHSA-N 398.459 2.808 0 40 GFAB C[C@@H](Sc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)c1cccc(F)c1 48364745 GMXYFLDDLYEQML-DOMZBBRYSA-N 378.473 2.867 0 40 GFAB CCOC(=O)NCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 53998393 KQBHSKRXVCYAKV-UHFFFAOYSA-N 377.828 2.625 0 40 GFAB Cn1c(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(Cl)c2ccccc21 56321999 UFDRXYOAWGGLAX-AWEZNQCLSA-N 389.883 2.543 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 58304864 MNLRSGYMQFKPEB-FUHWJXTLSA-N 398.507 2.585 0 40 GFAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 58481866 DMJFYRQLOIWKPG-UHFFFAOYSA-N 382.445 2.917 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)N(CCCN(C)C)CCCN(C)C 72277234 RAHOVQVXGSZHOL-UHFFFAOYSA-N 392.569 2.986 0 40 GFAB O=C(CC1CCCC1)NCCNC(=O)Nc1ccnn1Cc1cccs1 72309623 BDSRVEGAVJBANC-UHFFFAOYSA-N 375.498 2.811 0 40 GFAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1c(F)cccc1F 72324881 URUHWBSEEHRFLO-AWEZNQCLSA-N 375.419 2.999 0 40 GFAB Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2C(=O)CC2CCCC2)n1 72345669 CBNFTOQBIYQEKE-SFHVURJKSA-N 386.496 2.501 0 40 GFAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 77099731 FEZBNXDGKLICEZ-UHFFFAOYSA-N 396.896 2.905 0 40 GFAB O=C(NC[C@H]1CCCN(c2ccccn2)C1)Nc1ccc(-n2cncn2)cc1 95516313 LSQGZPGWVOHFIG-MRXNPFEDSA-N 377.452 2.700 0 40 GFAB CCOc1cc([C@H](N)c2n[nH]c(CNc3ccc(OC)cc3)n2)ccc1OC 95534398 LAFLOWFSYJVBJV-IBGZPJMESA-N 383.452 2.881 0 40 GFAB CCOc1cc([C@@H](N)c2n[nH]c(COc3ccc(OC)cc3)n2)ccc1OC 95534403 IKPKYZBLTCHLKH-LJQANCHMSA-N 384.436 2.848 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)NCC2([C@@H](C)CCO)CCC2)cc1 95987440 SUXOHQYDFBYQCZ-AWEZNQCLSA-N 383.514 2.759 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1 96344917 VKOMPORCFXCSQM-GFCCVEGCSA-N 380.404 2.572 0 40 GFAB CC(C)(C)C(=O)COC(=O)C1CCC(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 101231429 GQKLAOLEABBPNI-AQYCXKEBSA-N 387.476 2.511 0 40 GFAB CC(C)CNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 217481450 AMJPLHRKJKKQDF-UHFFFAOYSA-N 376.478 2.974 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223629511 XCIRRHKHFRSEHO-VQTJNVASSA-N 393.516 2.681 0 40 GFAB FC(F)(F)c1cc(N2CCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225909897 JIFXXZRCWNDKQL-SNVBAGLBSA-N 375.420 2.561 0 40 GFAB Cc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4ccc(C)cn4)C3)C2=O)cc1 238863408 LEZTUTWSOVDBCA-LJQANCHMSA-N 394.475 2.620 0 40 GFAB CCN(CC)CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596508 SBJVCDHWJCQQIQ-TYTAMAGNSA-N 399.535 2.789 0 40 GFAB COCCN1C(=O)CC[C@@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1OC 257299648 RQYMAVZVNYGINB-NQIIRXRSSA-N 388.508 2.928 0 40 GFAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCCc2ccccc2C)cn1 257305519 SQJZUCOYIXJVLX-UHFFFAOYSA-N 376.460 2.789 0 40 GFAB O=S1(=O)CCN(S(=O)(=O)c2ccccc2Cl)CC[C@H]1c1ccccc1 390829512 FCHFUKWQTGTREK-INIZCTEOSA-N 399.921 2.891 0 40 GFAB O=C(c1ccc2ncsc2c1)N1CCC(n2cnc3ncccc3c2=O)CC1 390830359 KNJSRLDWMSMYCA-UHFFFAOYSA-N 391.456 2.879 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCCC2)cc1C 408583329 HMIWYCDCWAPNIU-OAHLLOKOSA-N 382.526 2.900 0 40 GFAB COc1ccc(N([C@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 409027693 GIUHDUNXUTUHRN-OAHLLOKOSA-N 380.510 2.856 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@]3(COCc4cncnc43)C2)cc1 503871439 IULNZGCRVDCCKV-HXUWFJFHSA-N 387.505 2.637 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@@]1(CO)COc2ccccc2C1 529823822 VBFLKWVYMWVOHS-FQEVSTJZSA-N 384.457 2.736 0 40 GFAB O=C(O)CN(C(=O)c1cnc(Cc2ccccc2F)s1)C1CCOCC1 560444867 VVIBLPXKYSGOMW-UHFFFAOYSA-N 378.425 2.579 0 40 GFAB COc1ccc2c(c1)CCCN([C@@H](C)C(=O)NCc1ccc(C(=O)O)cc1)C2 568772597 XYEFPLWHNVENBW-HNNXBMFYSA-N 382.460 2.847 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccco1)C2 585107548 ZMRLFSIZDQGYKO-OAQYLSRUSA-N 378.432 2.673 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCc2cn(-c3cccs3)nn2)n[nH]1 585149645 UJRKEUVYWWVRBV-UHFFFAOYSA-N 380.433 2.658 0 40 GFAB CC(C)(NC(=O)NC1CCC2(CC1)NC(=O)NC2=O)c1ccc2ccccc2c1 637145513 LNPNCLIPEFYBJR-UHFFFAOYSA-N 394.475 2.895 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCC(Oc3nncs3)CC2)c1 824622275 IPLALVNPJSFEFM-UHFFFAOYSA-N 398.282 2.993 0 40 GFAB CCn1cc(CN2C[C@@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)cn1 1615103142 JBPDYLLVZSJWEE-SFHVURJKSA-N 376.545 2.684 0 40 GFAB CCn1cc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)n1 1615129281 LQPWIIAYGJBLGQ-OAQYLSRUSA-N 386.471 2.749 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 800543 WCVQCOSLGPCLON-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB O=C(Nc1nnc2n1C[C@@H](OC(=O)c1ccccc1)CS2)c1ccccc1 1099597 JPGRKKYZWPQMMM-OAHLLOKOSA-N 380.429 2.862 0 40 GFAB COC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 79050737 RYAGPNICXYNLFF-HXUWFJFHSA-N 397.435 2.510 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(Cc2ccncc2)CC1 23800928 TYEUKDMMPCMBGU-UHFFFAOYSA-N 389.503 2.901 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1OC 3239774 QXMWHIRXNQRQFZ-XBXARRHUSA-N 385.372 2.628 0 40 GFAB O=C(NC1CCCCCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3566935 BTPHDGAVSIDEEV-UHFFFAOYSA-N 398.500 2.689 0 40 GFAB O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[C@@H]1CC(=O)N(C2CC2)C1 56274345 POTUJNMUIPSQJS-DOMZBBRYSA-N 378.856 2.847 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 10977840 HVSITNXONLXTOR-MRXNPFEDSA-N 390.505 2.892 0 40 GFAB Cc1nc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)sc1CC(N)=O 58394196 KXQOARSNWOULGK-UHFFFAOYSA-N 396.437 2.924 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 44839931 CJRFMNFJXOTNQF-AWEZNQCLSA-N 381.432 2.782 0 40 GFAB Cc1nc(N2CCCC2)[nH]c(=O)c1CC(=O)NCCC12CC3CC(CC(C3)C1)C2 58217892 YLAZDYNFHMKNMY-UHFFFAOYSA-N 398.551 2.944 0 40 GFAB COCCN(C(C)=O)c1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1 44918643 QGOFWBFYSGZAJV-UHFFFAOYSA-N 383.499 2.678 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)c(C)c1 20022201 REAKZLHHEMOOBT-UHFFFAOYSA-N 394.468 2.518 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1 3461017 OKORZLQUFZPBBB-XXBNENTESA-N 391.471 2.956 0 40 GFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(=O)n2ccsc2n1 3542893 XVDRRZXCYFAAPT-UHFFFAOYSA-N 377.447 2.750 0 40 GFAB Cn1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc(=O)n(C)c1=O 28225824 CUUFLLHMFJKKTR-UHFFFAOYSA-N 384.244 2.858 0 40 GFAB CCOc1ccc(CCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 22326510 FCQQGIJFGUCSBT-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1C1OCCO1 60348905 SFXKMBWNGHSFKB-ZDUSSCGKSA-N 381.372 2.501 0 40 GFAB O=C1COc2cc(C(=O)NCCNc3ncc(Cl)cc3Cl)ccc2N1 47162625 CIGFKHOUOFJHNV-UHFFFAOYSA-N 381.219 2.561 0 40 GFAB O=C(NCc1cccs1)[C@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 62022902 FVSWMFIKZQUCQI-HNNXBMFYSA-N 383.477 2.722 0 40 GFAB CCc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 9225813 SZBMYPRFAGXNNT-UHFFFAOYSA-N 380.897 2.985 0 40 GFAB O=C(COc1ccccc1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4302001 MAPPSLKPLLZLHH-ZDUSSCGKSA-N 383.853 2.528 0 40 GFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2Cl)CC1 408626791 IGPUBSBMAFYJRP-UHFFFAOYSA-N 396.944 2.868 0 40 GFAB Cc1nc2cc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)ccc2o1 14136912 FOFUJBQMYWSNFD-UHFFFAOYSA-N 379.463 2.542 0 40 GFAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N1CCCCCC1 14238575 BCINNCQGHDZKPH-UHFFFAOYSA-N 386.464 2.768 0 40 GFAB COC(=O)c1ccc(C(=O)Nn2cnc3sc4c(c3c2=O)CCCCC4)cc1 6528628 NKSAWTSVNQJFQT-UHFFFAOYSA-N 397.456 2.897 0 40 GFAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NC1CC1 4696437 UFQZGVKHWKJYEU-UHFFFAOYSA-N 378.881 2.810 0 40 GFAB Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c(C)o1 6657813 FBHCMZPLBHIWNA-HNNXBMFYSA-N 381.432 2.954 0 40 GFAB Cc1csc(N(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)n1 6608603 KZZHOCBSOOOWJV-UHFFFAOYSA-N 384.461 2.981 0 40 GFAB O=C(COc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 6657808 SKDUPZJMSQJWKC-QGZVFWFLSA-N 393.443 2.510 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1 14707146 QDPZDGHDADTNLH-AWEZNQCLSA-N 391.493 2.689 0 40 GFAB CCOC(=O)c1ccccc1NC(=S)N1CCN(C(=O)c2ccco2)CC1 4767833 XNJCDJLFZAXYGZ-UHFFFAOYSA-N 387.461 2.611 0 40 GFAB O=C(CN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 5687618 XGODWEZOHOPFQE-UHFFFAOYSA-N 399.516 2.862 0 40 GFAB Cc1cc(N2CCN(C(=O)c3cnn(C)c3C(F)F)CC2)nc(C(C)C)n1 66603330 PKHWINYONSJBEM-UHFFFAOYSA-N 378.427 2.542 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nc(-c2cccs2)no1 6974950 QISFQHGLIJCGFO-UHFFFAOYSA-N 382.401 2.711 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 7401060 XTOSOLCOMDGXKE-MAUKXSAKSA-N 393.505 2.737 0 40 GFAB CC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)s1 16119859 IGLJTAJZUSCQPH-UHFFFAOYSA-N 389.868 2.617 0 40 GFAB C[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)CCCC2 7829740 KMCJPFKMKSTOTB-HNNXBMFYSA-N 383.492 2.997 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 7826110 AKTVOZXVFAEZKT-MRXNPFEDSA-N 394.349 2.624 0 40 GFAB CC(=O)Nc1ccc(N/C(C)=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 17208553 GTVCZHIXJIGDNH-SFQUDFHCSA-N 378.388 2.614 0 40 GFAB Cc1ccc(SCCNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 9889051 SNNDSPHHSVOENP-UHFFFAOYSA-N 383.473 2.569 0 40 GFAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc3c2OCO3)c1 89942314 WTCUBRPERAETNQ-CYBMUJFWSA-N 390.461 2.886 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409189242 NQZYFZVBPWLTGZ-MHWRWJLKSA-N 396.399 2.885 0 40 GFAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 29510301 MIXIPCQGRNIAJG-HUUCEWRRSA-N 384.929 2.999 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CC[C@H](C)CC3)n(C)c2)C1 518143252 HTYMEMHLJCBCPR-BZUAXINKSA-N 381.542 2.754 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 72401655 QPTMNWVZHWZZGR-UHFFFAOYSA-N 392.202 2.979 0 40 GFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CO)CO)cc1 218503265 JRQMMWISXPPMGY-ROUUACIJSA-N 380.893 2.813 0 40 GFAB COCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3)nc21 36617270 POPXGEIZWDFVFL-UHFFFAOYSA-N 385.445 2.944 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3nccn3C)C2)nc2c1CCCN2CC1CC1 72380229 FTBBGJFBIUAMTB-KRWDZBQOSA-N 394.523 2.701 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218599836 KNSPEFDVYGFDKP-RYRKJORJSA-N 397.855 2.679 0 40 GFAB O=Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Br)cc1 72330024 APNYRRLLAZXRFB-UHFFFAOYSA-N 376.206 2.735 0 40 GFAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)NCc1ccco1 44227632 RNFUBZQVPUSYFE-UHFFFAOYSA-N 383.433 2.733 0 40 GFAB CC[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 224760363 SBHKKPDDTCGEGV-SFHVURJKSA-N 376.478 2.729 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220611786 QJVRTNFFVSMWDE-SFHVURJKSA-N 392.477 2.887 0 40 GFAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)nc1 223607095 VJSLXNJJYNHLTL-PMACEKPBSA-N 393.516 2.931 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(C)cc1 96520895 TYQYRQSPQLPSID-SNVBAGLBSA-N 386.105 2.907 0 40 GFAB CC(C)CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 230086509 SPOIYAFLRRYNQY-RTBURBONSA-N 378.538 2.670 0 40 GFAB COCc1cnc(NC(=O)c2nnn(CCOc3ccc(F)cc3)c2C)s1 585082257 SDTZOOKZGCRVNS-UHFFFAOYSA-N 391.428 2.660 0 40 GFAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 247972164 HSGRKVMRIIHTOE-JTSKRJEESA-N 385.508 2.757 0 40 GFAB Cc1cccc(C(=O)N2CCC[C@H](c3nc(C)cc(-c4nccn4C)n3)C2)n1 257325477 WTBHETOFXUAYBK-INIZCTEOSA-N 376.464 2.909 0 40 GFAB CC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(OC)cc4OC(C)(C)[C@@H]3C[C@H]2C1 257206127 BBYYSLGYQMQCHN-YDQVPQBGSA-N 388.508 2.898 0 40 GFAB CCn1ccc(NC(=O)C[C@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)n1 257259944 LASRMZXPLAHMQB-MRXNPFEDSA-N 394.479 2.740 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c1 253569852 MWJHGOWEDZWSTH-HIFRSBDPSA-N 395.463 2.934 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260790388 ALDZAELYFLARFE-LPHOPBHVSA-N 390.505 2.511 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 260913112 ZVLSTRCBPUVZAW-PKOBYXMFSA-N 384.451 2.994 0 40 GFAB C[C@@H](C(=O)NCc1ccc(F)cc1)n1cc([C@@H](C)Oc2ccc(CO)cc2)nn1 640887643 OCIVLZLFCDBZGL-LSDHHAIUSA-N 398.438 2.927 0 40 GFAB CC(C)(NC(N)=O)c1cn(Cc2nc(-c3c(F)cccc3F)cs2)nn1 641113581 IJNUWPZEBUHKFT-UHFFFAOYSA-N 378.408 2.632 0 40 GFAB CC(C)c1ncc2c(n1)CN(C(=O)c1ccc(S(=O)(=O)C3CC3)cc1)CC2 649011691 ZRUOJHPJPBMUFM-UHFFFAOYSA-N 385.489 2.735 0 40 GFAB CC(C)c1ncc2c(n1)CN(C(=O)c1nc(N3CCCC3)ncc1Cl)CC2 608203712 IAJQALBFFVPWFD-UHFFFAOYSA-N 386.887 2.842 0 40 GFAB O=C([C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21)N1CCCCO1 575403551 GQPDJSGDDAKIQB-QPRVAFDKSA-N 398.507 2.537 0 40 GFAB COc1ccc(C(=O)N2CCC(NC(=O)N[C@]34CCC[C@@H]3C4)CC2)cc1OC 664166001 NFOUCSGVXWCNOA-VFNWGFHPSA-N 387.480 2.550 0 40 GFAB O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 585101710 AOKZISPLNXBFRT-QAPCUYQASA-N 383.414 2.960 0 40 GFAB Cc1cn2nc(C(=O)N3CCSCC3)cc2c(N(C)Cc2ccccc2)n1 169768798 ZZIWIRDYHKAGAQ-UHFFFAOYSA-N 381.505 2.863 0 40 GFAB CC(C)(C)c1ccc(OCC2CCN(C(=O)NC[C@H]3CCCO3)CC2)nn1 1775995220 IXHMLVZUDILSMU-MRXNPFEDSA-N 376.501 2.754 0 40 GFAB O=C(Nc1c(F)cccc1F)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005030 LHZFQBCXERTOET-ZDUSSCGKSA-N 387.452 2.823 0 40 GFAB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCSC)C(=O)O 5706602 HHQRCSLQNBJJBX-HZPDHXFCSA-N 396.509 2.794 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 12186056 HSGVDVIPVMPMNM-CZUORRHYSA-N 391.475 2.799 0 40 GFAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCc1nc(-c2ccccc2)no1 12202595 IFMHQTADZLYOBM-XIKOKIGWSA-N 380.379 2.931 0 40 GFAB CCC[C@H](C)NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13586020 HKIRFNBQPAAVIW-ZDUSSCGKSA-N 384.523 2.809 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2F)cc1 13633269 PFLUGDSHWYZKAV-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB CCCCN1C(=O)/C(=C\c2ccccc2OCC(=O)N2CCCC2)NC1=S 14185917 GNIQFAJLZZWMJW-DTQAZKPQSA-N 387.505 2.546 0 40 GFAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 14728869 TVEKRFWMOKZHRJ-UHFFFAOYSA-N 384.248 2.985 0 40 GFAB O=C(CN(C(=O)c1csnn1)c1ccc(F)cc1)NCCc1ccccc1 15936141 TXAWZKQUCNWACB-UHFFFAOYSA-N 384.436 2.683 0 40 GFAB Cc1cccc(CN2CCCN(C(=O)[C@@H](C)Cn3nc(C)c(C)c3C)CC2)n1 19236260 UMUJLSMEMHVRKC-INIZCTEOSA-N 383.540 2.882 0 40 GFAB Cc1ccccc1OC1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 19664422 QYLAFKYVKYPSNK-UHFFFAOYSA-N 379.460 2.824 0 40 GFAB O=C(Cc1ccsc1)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144273 RSKJKXVDLHBFJZ-UHFFFAOYSA-N 396.516 2.838 0 40 GFAB CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 12444578 ALAHNUOYRPPRQJ-UHFFFAOYSA-N 383.279 2.937 0 40 GFAB Cc1cc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)no1 9385771 YCVDMHLHUKDWFL-UHFFFAOYSA-N 390.248 2.983 0 40 GFAB CN([C@@H]1CCN(c2nc3cnccc3s2)C1)S(=O)(=O)Cc1ccccc1 1888910615 CJIRQVKBURESKT-OAHLLOKOSA-N 388.518 2.732 0 40 GFAB Cc1nnsc1C(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889122792 ILBIIAHXALHNMX-JQWIXIFHSA-N 383.399 2.611 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CCc1cnn(-c2ccccc2)c1 23002963 MHIZIROAWGOQRK-UHFFFAOYSA-N 392.459 2.877 0 40 GFAB Cc1ccccc1OCC(=O)NCc1nnc2ccc(-c3ccsc3)nn12 238811256 AJDJHZUEYJGUBB-UHFFFAOYSA-N 379.445 2.856 0 40 GFAB CN(CCC(=O)N1CCC[C@](O)(COc2ccccc2)CC1)Cc1cccnc1 2037913206 ZNFXCPOUNSBUHC-HSZRJFAPSA-N 397.519 2.726 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@](O)(c1ccsc1)c1ccco1)c1ccccc1 253472480 MPMMCCMWDALYRC-VLIAUNLRSA-N 384.457 2.571 0 40 GFAB COc1cc(C(=O)N2CCC3(CC[C@H]3NC(=O)CCc3ccccc3)CC2)on1 1614940446 MGOHAGINFRRCQM-GOSISDBHSA-N 397.475 2.817 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565548939 MQKKPCJVWPCYMU-UHFFFAOYSA-N 388.493 2.516 0 40 GFAB CCOC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 4196066 KPQPVPCXNWMUJO-JYJNAYRXSA-N 393.871 2.937 0 40 GFAB O=C(CSc1ncnc2c1nnn2-c1ccccc1)N1CCc2ccccc21 4273669 RTAYCEWKGNPZQZ-UHFFFAOYSA-N 388.456 2.892 0 40 GFAB COC(=O)[C@](O)(CC1=NC(C)(C)Cc2cc(OC)c(OC)cc21)C(F)(F)F 4686037 XJHMCGFNHASTHP-QGZVFWFLSA-N 389.370 2.684 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 5075757 GOYPZAOVJXZLMM-UHFFFAOYSA-N 380.491 2.590 0 40 GFAB O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccncc2)ccc1=O 11746475 AKTMVNIFFFXFCO-UHFFFAOYSA-N 398.850 2.544 0 40 GFAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(F)cc1 17178442 XGQWFHLGMSRYCZ-FQEVSTJZSA-N 399.466 2.734 0 40 GFAB COc1ccc(C2=NO[C@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 100204786 HCESIQRAMXQCCX-KGJDBHEDSA-N 388.423 2.870 0 40 GFAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1ccc(F)c(Cl)c1 35423748 CANWUXPCAXSNPW-UHFFFAOYSA-N 384.798 2.987 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)cc(=O)o1 218920211 ZKLLYTAFXKLRBQ-KRWDZBQOSA-N 379.416 2.736 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 38490346 CBIAHCFWJFIDEA-LEWJYISDSA-N 378.472 2.712 0 40 GFAB COc1cccc(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c1 49401693 CLELOBFEKGKSTL-UHFFFAOYSA-N 393.428 2.562 0 40 GFAB Cc1noc(-c2ccnc(SCC(=O)Nc3ccc4c(c3)OCCO4)c2)n1 49405357 QWUSDDUSKNNYNA-UHFFFAOYSA-N 384.417 2.942 0 40 GFAB COc1cc(C(=O)Nc2ccc(F)c(N3CCS(=O)(=O)CC3)c2)ccc1C 40151765 XOJQSZHFQRDXEU-UHFFFAOYSA-N 392.452 2.630 0 40 GFAB CCOC(=O)N[C@@H](C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)C(C)C 40151764 KYRQFDLCFKHNFG-GOSISDBHSA-N 397.466 2.816 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2c(CC)nc3ccccc3c2=O)cc1 40478645 TXSKIDUSZWJDFE-UHFFFAOYSA-N 379.416 2.774 0 40 GFAB O=S(=O)(NCCc1ncc2ccccn12)c1ccc(Br)s1 31773197 ICNLBPOWBTYQES-UHFFFAOYSA-N 386.296 2.679 0 40 GFAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl 20734911 IXMHIQRLYOIHCE-HNNXBMFYSA-N 383.235 2.547 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 102264979 SBCSYCLJYNUVJR-OKILXGFUSA-N 385.420 2.839 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c(OC)c1 103532595 JMVNJQPOMSFTND-DOTOQJQBSA-N 386.791 2.650 0 40 GFAB C[C@@]1(c2cccs2)NC(=O)N(CC(=O)NC2(c3ccccc3)CCC2)C1=O 53659703 FGZRJXLGXNZELP-IBGZPJMESA-N 383.473 2.711 0 40 GFAB Cc1cc(C)c2cc(CN(CCO)C(=S)NCc3ccco3)c(=O)[nH]c2c1 907858 AGLIOUOGRCLUMF-UHFFFAOYSA-N 385.489 2.607 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 946538 NVTSUDBFZGAADK-KEYYUXOJSA-N 396.390 2.661 0 40 GFAB O=C(O)c1cccc(N2C(=O)c3ccc(I)cc3C2=O)c1 984380 MRTPSRWHHQXPDA-UHFFFAOYSA-N 393.136 2.790 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)O)c3ccccc3)c(=O)oc2c1 2108296 UUZCDECNMLERSA-FQEVSTJZSA-N 395.411 2.985 0 40 GFAB biogenic COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)c1 2720403 AOTXGXKVBAGMOF-UHFFFAOYSA-N 376.394 2.781 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C)C[C@@H]2[C@H](S(=O)(=O)c2ccc(C)cc2)C(=O)N1 4315563 ANISBDRBBPAZEJ-QRFRQXIXSA-N 387.457 2.558 0 40 GFAB O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccccc1 4479861 CRKUWAQMUOUMJA-UHFFFAOYSA-N 384.486 2.979 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O 4535715 BSRAGXJNZJMFMY-PVAVHDDUSA-N 378.469 2.943 0 40 GFAB CCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 4554450 SMEPOFBKYLMSJB-UHFFFAOYSA-N 394.468 2.946 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)cc1Cl 4934286 POMSVYSWYFCQDA-UHFFFAOYSA-N 375.791 2.962 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nsc3ccccc23)CC1 5347562 MBHVMUGWRXMIIH-KRWDZBQOSA-N 381.457 2.785 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 5677882 CHEKOBUEMOQIJR-YEJXKQKISA-N 385.464 2.965 0 40 GFAB COCCn1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O 6035165 HWKBXTRRHFMWBO-UHFFFAOYSA-N 389.502 2.513 0 40 GFAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6344022 YGZNHKRBTRTJSZ-UHFFFAOYSA-N 384.542 2.627 0 40 GFAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026042 NJOCYUZPINPQEU-SNVBAGLBSA-N 396.852 2.722 0 40 GFAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 7854132 DOJGAZVYVSEVMR-OAHLLOKOSA-N 386.521 2.840 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 8412155 DFMAGQRYCCUPNK-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB NC(=O)[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1 8981060 IXMGMXOHLXQFDI-QGZVFWFLSA-N 389.249 2.755 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(C)(C)C 9155687 SKXWIGDPBNHEAH-UHFFFAOYSA-N 397.541 2.587 0 40 GFAB CCCN1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 9174692 TXGVPHHBBMIHAY-UHFFFAOYSA-N 387.461 2.596 0 40 GFAB COc1ccc(-c2ccnc3[nH]n(-c4nc(C)cc(C)n4)c(=O)c23)cc1OC 9225400 FJUXIHMVMKMGNF-UHFFFAOYSA-N 377.404 2.805 0 40 GFAB O=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccc(F)cc1 9660725 CXQCVASTFBKYJC-UHFFFAOYSA-N 379.366 2.933 0 40 GFAB COc1ccc(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c(OC)c1 11096814 LRMIUFFOYPVRQD-UHFFFAOYSA-N 397.475 2.537 0 40 GFAB COc1ccccc1[C@@]1(O)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 12290430 PRFUGVWOLVNJNR-HSZRJFAPSA-N 394.471 2.551 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1 12545809 LCVATWRGHATIGJ-UHFFFAOYSA-N 379.526 2.600 0 40 GFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1O 12741714 BFMOEBNEVNBFPU-UHFFFAOYSA-N 387.392 2.979 0 40 GFAB COc1ccc(-n2c(SC[C@@H]3CNC(=O)O3)nc3ccccc3c2=O)cc1 12769509 JAZAKIOJTXXVMY-AWEZNQCLSA-N 383.429 2.595 0 40 GFAB COCCNC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12781491 JTFQQSADBUAOAN-QGZVFWFLSA-N 396.896 2.512 0 40 GFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 12927947 GVCMCHHZDJLEDC-SJORKVTESA-N 394.493 2.713 0 40 GFAB Cc1ccc2nc(CN3CCC(C(=O)N4CCCCCC4)CC3)cc(=O)n2c1 12993655 FTQIKCVASZBHDX-UHFFFAOYSA-N 382.508 2.618 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2ccccc21 13551615 SSAFLAROSIMJED-MSOLQXFVSA-N 381.432 2.674 0 40 GFAB O=C(CCCc1ccccc1)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 13854769 PPTULMLKQSINBB-UHFFFAOYSA-N 393.487 2.904 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 13987279 PBHSXGRXADXUQV-CQSZACIVSA-N 391.537 2.979 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(N)=O)cc2)cc1 14198595 IMPHTESINXHGBB-ZDUSSCGKSA-N 382.416 2.808 0 40 GFAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1CCOCC1 15420711 NZRUGZJLGGVNSH-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB CCCOc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 15718379 JENPVCCCRYSUFW-UHFFFAOYSA-N 388.489 2.929 0 40 GFAB O=C(C1CC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343555 TZICAAVTDKSWOO-GOSISDBHSA-N 398.532 2.853 0 40 GFAB CCn1nc(C)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1C 19523796 FKWHGGNCWZQCDY-LBPRGKRZSA-N 394.497 2.526 0 40 GFAB CCn1c(CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)nc2ccccc21 19524375 QUVQYYINGGHUEZ-UHFFFAOYSA-N 383.429 2.641 0 40 GFAB CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)[nH]n2)c1C 19660945 HSZGSYKFFUIKPA-QFIPXVFZSA-N 393.491 2.952 0 40 GFAB Cn1cc(C(=O)N2CCC[C@@H]2c2cc(CCOc3ccccc3F)[nH]n2)cn1 19703596 QLPDSEGQGQKCSR-GOSISDBHSA-N 383.427 2.881 0 40 GFAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 22807177 MVLWRXSTOVSCGJ-UHFFFAOYSA-N 395.503 2.994 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 24088040 DHJMSXXALHSMCJ-OAHLLOKOSA-N 395.459 2.946 0 40 GFAB Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 30498149 WBOWSVHXLCAHFS-UHFFFAOYSA-N 388.489 2.788 0 40 GFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 32724467 KJPQQBUORRFFHZ-MRXNPFEDSA-N 390.461 2.846 0 40 GFAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2CC(N)=O)c1 32741910 WDAHYXGRKLPYCM-UHFFFAOYSA-N 395.488 2.778 0 40 GFAB CN(Cc1ccsc1)C(=O)Cn1cnc2sc3c(c2c1=O)CCSC3 32850533 JBDNXJXFSCZCNQ-UHFFFAOYSA-N 391.543 2.967 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc12 32909660 SGEURWSJFACRPT-QGZVFWFLSA-N 379.420 2.647 0 40 GFAB CCCNC(=O)CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1 36708517 FOYFAAHDOMDYNW-UHFFFAOYSA-N 389.500 2.561 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(F)(F)F)cc1 40018079 SVFJYIZAOQGOOV-CYBMUJFWSA-N 390.383 2.568 0 40 GFAB CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)Cc1nc(C(C)C)no1 40121909 SWCQSQZASKGQFV-INIZCTEOSA-N 379.482 2.718 0 40 GFAB Cc1nnc([C@@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)C2)s1 42380357 UVKOJJBGFLBSCC-CYBMUJFWSA-N 397.460 2.985 0 40 GFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1 45797000 CBGLTXIZLWWWJH-UHFFFAOYSA-N 399.852 2.622 0 40 GFAB O=C(NCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)NC12CC3CC(CC(C3)C1)C2 46483490 AQULPWBLPMNWQL-IZBXYKSJSA-N 389.540 2.815 0 40 GFAB O=C(CNC(=O)c1ccccc1Cl)NCCCN1CCc2ccccc2C1 47493104 JKRBSKQTKCRRND-UHFFFAOYSA-N 385.895 2.634 0 40 GFAB COC(=O)CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 48623191 GHULGCPYLOPNRQ-JKSUJKDBSA-N 377.437 2.778 0 40 GFAB O=C1CC[C@@H](C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)CN1 51570758 PFKFVQDZQMNVTJ-QGZVFWFLSA-N 378.428 2.519 0 40 GFAB CS(=O)(=O)NCC[C@H]1CCCCN1Cc1nc2ccccc2n1C(F)F 52134483 KNESBRINNHRZRH-CYBMUJFWSA-N 386.468 2.725 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 52411981 KBCWJWDWWPGCNJ-OAHLLOKOSA-N 377.462 2.538 0 40 GFAB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccoc1 53020065 MKIHJVJSWAKZCG-UHFFFAOYSA-N 377.249 2.571 0 40 GFAB CC(=O)Nc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)ccc1C 54262019 RROPLTOPRCKJIZ-UHFFFAOYSA-N 395.459 2.987 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C(=O)OCC)CC2)c1C 57024361 JARWDVYOGCEUGT-CQSZACIVSA-N 378.469 2.655 0 40 GFAB Cc1ccc(C(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ncccc32)c(C)c1 57292916 DWUSDBJDLDNAQW-UHFFFAOYSA-N 389.411 2.699 0 40 GFAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCN(c2ncccn2)CC1 57388188 HILYACIUAJGQHB-FQEVSTJZSA-N 393.516 2.566 0 40 GFAB CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(C)c3)c3ccccc3n12 57522812 RFYQLURVRQIENC-UHFFFAOYSA-N 375.432 2.944 0 40 GFAB Cc1ccc([C@H](CNC(=O)CCc2nc(-c3cccnc3)no2)N(C)C)cc1 58181809 MZUHTBHBHBZFPY-SFHVURJKSA-N 379.464 2.792 0 40 GFAB CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 59435400 VUYBTGUKWUQUCE-UHFFFAOYSA-N 390.505 2.755 0 40 GFAB Cc1ccc(CNC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)cc1 64871713 WMLIJIKMHJMNCT-UHFFFAOYSA-N 389.459 2.792 0 40 GFAB COc1ccc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c(OC)c1 69074434 DYBSTZBLMWOTLG-KDOFPFPSSA-N 383.448 2.870 0 40 GFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC1=NS(=O)(=O)c2ccccc21 69075271 QTRWPWQVSSODMA-CYBMUJFWSA-N 379.482 2.515 0 40 GFAB O=C(NCCOc1ccc(F)cc1)C1CN(C(=O)c2c[nH]c3ccccc23)C1 70811641 AJDYUSTVHKFEOB-UHFFFAOYSA-N 381.407 2.574 0 40 GFAB COc1ccc(C(C)=O)cc1C[S@@](=O)CC(=O)NCCCc1ccccc1 89292050 FYAJDGLEVMHDKW-MHZLTWQESA-N 387.501 2.896 0 40 GFAB Cc1cc(=O)c(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cn1C 95477875 LTCALNZIPIYUQW-UHFFFAOYSA-N 377.444 2.870 0 40 GFAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 100896809 GDCZQRJGPIDFRI-JONQDZQNSA-N 399.274 2.520 0 40 GFAB COc1ccccc1C(=O)Nc1nc2[nH]c(C)c(Cc3ccccc3)c(=O)n2n1 101388169 GFPKLMQCYRPYOY-UHFFFAOYSA-N 389.415 2.578 0 40 GFAB C[C@H](NC(=O)CN1CCN(c2ccc(Cl)cn2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 107135484 OWCQTXBTVCPTAM-NBOOPKSLSA-N 376.932 2.798 0 40 GFAB O=C(O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)Nc2ccccc2)c1 217505276 CTIZJAXOFQJFQQ-HNNXBMFYSA-N 376.434 2.777 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220307021 CAOCHCJCPDKQAD-GFCCVEGCSA-N 378.425 2.822 0 40 GFAB CCOc1cccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 222481719 AANFPWIXQNTHEM-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 222966860 OCUOXMACNOHAPJ-SFHVURJKSA-N 384.476 2.936 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 223868977 JWKJJMTWDBMURC-KBPBESRZSA-N 377.462 2.743 0 40 GFAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(S(C)(=O)=O)cc1 225599189 HDGKVHZFBSBAKM-MRXNPFEDSA-N 385.482 2.967 0 40 GFAB C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccc(-n2cccn2)cc1 225603524 VGLOZYRLWPUMCQ-HNNXBMFYSA-N 383.473 2.717 0 40 GFAB Cc1noc(-c2cccn3c(CNC(=O)c4ccc5ncsc5c4)nnc23)n1 225747337 VDPUCTRBIFAJNQ-UHFFFAOYSA-N 391.416 2.627 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cc(C)ccc2C)NS(C)(=O)=O)cc1 225955289 FGPJIEYPRQKODR-GOSISDBHSA-N 376.478 2.931 0 40 GFAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257217918 DBCPVMFSVTYSHC-CQSZACIVSA-N 378.473 2.868 0 40 GFAB CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2ccnc2C)[C@@H]1O 257277041 NWFSJUGBRPWDSD-SFGWALBWSA-N 395.507 2.765 0 40 GFAB Cn1ccnc1-c1cncc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)n1 257284300 PCCQTOBULPCSDH-UHFFFAOYSA-N 377.448 2.955 0 40 GFAB CCc1nnsc1C(=O)N1CC[C@H](Cc2nccnc2-c2c(C)noc2C)C1 257322474 WGCWYDUBLNHDGE-CYBMUJFWSA-N 398.492 2.867 0 40 GFAB Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)ccc1CO 257323193 WJCZNISGGQROBK-HNNXBMFYSA-N 395.463 2.599 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)C1 260508085 PNNXMSDXSFPGLT-WBVHZDCISA-N 394.537 2.775 0 40 GFAB CCOc1ccccc1N(CC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260796105 UUIDNMREQWCOIS-INIZCTEOSA-N 390.505 2.771 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4cccs4)C[C@@H]2S3(=O)=O)cn1 306140564 UXKZOKZJIXLHGU-MJGOQNOKSA-N 385.514 2.904 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(C)c1 408617867 DSUBZVIMANGKCO-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 408708541 JSBYHPSVOBBJPE-UHFFFAOYSA-N 392.459 2.604 0 40 GFAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1 409228430 YTXUVLOJJGOOLX-RVDMUPIBSA-N 379.434 2.701 0 40 GFAB Cc1noc2ncc(S(=O)(=O)N3CCC[C@@H]3COc3ccc(F)cc3)cc12 510628050 MMXJPYDZMQNOPY-CQSZACIVSA-N 391.424 2.902 0 40 GFAB CSCC[C@@H](C(=O)Nc1ncc(C)s1)n1c(O)nc2ccccc2c1=O 524733232 AINRRGLFURCFEI-ZDUSSCGKSA-N 390.490 2.800 0 40 GFAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1cccc2nsnc12 575620057 IFXKXSOKZBQMKB-LLVKDONJSA-N 383.520 2.587 0 40 GFAB CC[C@H](CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)C(=O)OC 592864980 SCMDKAIBRFCLKH-LLVKDONJSA-N 380.242 2.564 0 40 GFAB Cc1ccccc1CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 604382103 DNNZSDGXOAZXGM-XRXFAXGQSA-N 383.536 2.773 0 40 GFAB biogenic,in-vitro O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cnc2n1CCC2 615872668 FJPQGNXXTGDLNP-CYBMUJFWSA-N 383.402 2.716 0 40 GFAB Cc1nn(CC(=O)N2CCC[C@@H]2CO)c2nc(C(C)C)cc(C(F)(F)F)c12 632137715 SFJJDVJUYRBFOL-GFCCVEGCSA-N 384.402 2.865 0 40 GFAB O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H]1CC[C@H](C2CC2)N1 653082118 JTLYGFCHHMRYRO-HUUCEWRRSA-N 390.285 2.558 0 40 GFAB O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCN(Cc2cccnc2)CC1 678630226 QWVMYBQGBUKXSC-MRXNPFEDSA-N 396.318 2.946 0 40 GFAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 1137848791 RRNFSDKHFUYZMX-MDOVXXIYSA-N 382.501 2.918 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153112 AKVLELDCHPVRJA-QFIPXVFZSA-N 382.435 2.793 0 40 GFAB CCOc1cccc2cc(C(N)=O)/c(=N/c3sc(C)c(C)c3C(N)=O)oc12 1775966853 HAZQHSCCWXSJDR-PYCFMQQDSA-N 385.445 2.940 0 40 GFAB CCOc1ccc(-c2cc(C(=O)N3CCN(CC(F)(F)F)CC3)n(C)n2)cc1 1848613431 UYEXLXYWARQXRQ-UHFFFAOYSA-N 396.413 2.806 0 40 GFAB Cc1ccccc1CN1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771624 NDYMIVYRDBJCIL-SFHVURJKSA-N 380.414 2.861 0 40 GFAB Cc1cccc(CN2CCC[C@]3(CCCN(C(=O)C4=CC=NC(=O)C4)C3)C2)n1 2056223961 JDMILEADQFNWGN-QFIPXVFZSA-N 380.492 2.522 0 40 GFAB COc1cnc(O[C@@H]2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)nc1 2087071608 ZAGZPUVCRAQXCM-CQSZACIVSA-N 396.369 2.596 0 40 GFAB O=C(Nc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1)C1CC1 2298048633 MXOKNQCXIQMBFW-UHFFFAOYSA-N 392.385 2.566 0 40 GFAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccccc2C1 2952040 PHKWAXSWBSMUPK-UHFFFAOYSA-N 391.471 2.835 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cccc3ncccc23)CC1 12539693 VOTYZOMVIBLLLW-UHFFFAOYSA-N 389.411 2.562 0 40 GFAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 902160 UVCXSIVDNUEQIT-UHFFFAOYSA-N 393.553 2.778 0 40 GFAB COC(=O)c1cccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)n2)c1 78876830 GANTZKFZEXZWBF-HNNXBMFYSA-N 393.447 2.621 0 40 GFAB CN(Cc1ccccc1OC(F)(F)F)C(=O)CSc1nnnn1C1CC1 24473257 XWGHCXRFMLBZOD-UHFFFAOYSA-N 387.387 2.657 0 40 GFAB CC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 4858859 BRBNPDGOYRACDB-IUODEOHRSA-N 375.498 2.830 0 40 GFAB Cc1ccccc1NC(=O)NC1(C(=O)N2CCC(C(N)=O)CC2)CCCCC1 4981885 FEYYICLMAUBJTL-UHFFFAOYSA-N 386.496 2.543 0 40 GFAB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc1OCc1ccccc1 6289797 KRTOQMHEGGOTSF-VQIMIIECSA-N 379.416 2.686 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2)cc1C 6471601 TZQRCXQXBRVRIC-OAHLLOKOSA-N 376.478 2.502 0 40 GFAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6946765 VARCGRVSCYRUFF-INIZCTEOSA-N 390.505 2.849 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 7940180 LHOKZPZAFYQUAX-OAHLLOKOSA-N 388.464 2.748 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 8158274 COFGVYHOIVXVFN-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB C[C@H]1Oc2ccccc2N(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1=O 26067759 CPSQLUIKRLZSFI-QGZVFWFLSA-N 393.487 2.581 0 40 GFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)CS2 26727722 GYUSICWLUVYLJN-LIRRHRJNSA-N 385.445 2.924 0 40 GFAB COc1ccc(CNC(=O)Cn2c(SC)nc3ccsc3c2=O)cc1 57505093 DVTGOPAXNIBAQV-UHFFFAOYSA-N 375.475 2.505 0 40 GFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@H]1CCOc2ccccc21 44339275 CKJJMDQGXOECSU-AWEZNQCLSA-N 385.811 2.578 0 40 GFAB CN1CCN([C@H](CNC(=O)Cc2ccc3c(c2)CCC3)c2cccs2)CC1 44719478 PVMZBNRCBALGLM-HXUWFJFHSA-N 383.561 2.884 0 40 GFAB O=C(N[C@H](C(=O)O)c1cc(F)ccc1F)c1nc(N2CCCC2)ncc1Cl 95424530 DGCJSUCWLUQAJR-ZDUSSCGKSA-N 396.781 2.564 0 40 GFAB C[C@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 58192855 ABAYPKIRVMTCAP-AWEZNQCLSA-N 377.448 2.521 0 40 GFAB Cc1cccn2c(=O)c(C=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 27021862 XPPQWAINMMCRGA-UHFFFAOYSA-N 382.851 2.795 0 40 GFAB COC(=O)CSc1nnc2n(-c3ccccc3C)c(=O)c3ccccc3n12 3342255 KLQHPCVVYUKBFP-UHFFFAOYSA-N 380.429 2.607 0 40 GFAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(OCC(N)=O)c2)cc1 95481211 REPMMFJDZLKETB-QGZVFWFLSA-N 392.415 2.869 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(N2CCCCCC2)nc1 48355977 DVCOLENFWAEBEC-UHFFFAOYSA-N 384.455 2.647 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)c(C)c1 28272868 KPNNJCPVYCHHIJ-CQSZACIVSA-N 389.315 2.900 0 40 GFAB CN1CCN(CCCNC(=O)c2n[nH]c3ccccc23)[C@H](c2ccccc2)C1 36389998 MQQMADDJSTYBLI-FQEVSTJZSA-N 377.492 2.672 0 40 GFAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12816927 QSDUPYDGQHKLHS-LZCJLJQNSA-N 396.921 2.948 0 40 GFAB COc1cc(OC)c(NC(=O)Cn2cnc3ccsc3c2=O)cc1Cl 11651782 UXSDPBCEDQLLNH-UHFFFAOYSA-N 379.825 2.767 0 40 GFAB NC(=O)[C@@H]1CN(C(=O)COc2c(Cl)cccc2Cl)c2ccccc2O1 11763603 YPBQVDJHYHPNCF-AWEZNQCLSA-N 381.215 2.652 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)ccc1N1CCCC1=O 11741438 RMLIDDNQTURHGB-CQSZACIVSA-N 391.427 2.745 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(F)cc(F)c1 10707365 FLUOLQFFYDRZFR-UHFFFAOYSA-N 382.432 2.723 0 40 GFAB CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)cc1 2639644 KKUDLPSRCLHUNX-NRFANRHFSA-N 396.531 2.950 0 40 GFAB CC(C)Cc1nnc(NC(=O)CNC(=O)c2ccc(OC(C)C)cc2)s1 25445335 UTZVQPDUNOGDAI-UHFFFAOYSA-N 376.482 2.892 0 40 GFAB C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 2661686 XWXFJKADGTYVGE-CYBMUJFWSA-N 390.386 2.985 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 3566441 MCAVCUMZOVUKGV-UHFFFAOYSA-N 386.481 2.812 0 40 GFAB CN(CCCC(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)c1cccs1 12929426 DQXSYXHLCGBSQP-HNNXBMFYSA-N 394.518 2.789 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1Br 3611609 RQJUKIMDZSABIA-UHFFFAOYSA-N 380.242 2.561 0 40 GFAB O=C(NCc1ccccn1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5381180 BZVSWNXZCINBOY-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC(=O)OCc3ccccc3)n2)cc1OC 5388610 KTNWYBSFRAPQHO-UHFFFAOYSA-N 380.400 2.671 0 40 GFAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 14138724 HYTAMKJKILAEJO-UONOGXRCSA-N 385.489 2.553 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCCCC2)cc1 6549794 WXZCYATXWUTLJB-UHFFFAOYSA-N 384.480 2.870 0 40 GFAB CC[C@@]1(C)NC(=O)N(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)C1=O 6589019 NKXJRKJDAXWJQQ-LJQANCHMSA-N 397.460 2.761 0 40 GFAB COc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC 6611196 FJGWFLPLOBCSGF-UMVBOHGHSA-N 379.453 2.953 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1nnc(C(=O)OC)c1C(=O)OC 4969636 WFYOZBJWNWOWOJ-AWEZNQCLSA-N 388.424 2.565 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 15497089 QUXCFUJJYYEKQE-DLBZAZTESA-N 392.908 2.809 0 40 GFAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2O1 7252734 SRROGWTXDHITGP-MRXNPFEDSA-N 394.258 2.946 0 40 GFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccccc1 7362348 RNPJGIKLXSFDAI-KRWDZBQOSA-N 381.432 2.943 0 40 GFAB COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Br)ccc32)c1 9481995 LLBYFKHKJVQCNY-QGZVFWFLSA-N 376.206 2.870 0 40 GFAB CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)NC(C)(C)C 7660058 YKFPYCXNGAAEKL-UHFFFAOYSA-N 381.325 2.614 0 40 GFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-n2cccn2)cc1 8133763 JCIHRUCHWWWWPQ-UHFFFAOYSA-N 376.460 2.981 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 97117818 PIABCJQTNPTQQZ-KRWDZBQOSA-N 393.553 2.556 0 40 GFAB CC1CCC(NS(=O)(=O)CC(=O)Nc2ccccc2N2CCCC2)CC1 84689393 RBQMFUBLZUXTNM-UHFFFAOYSA-N 379.526 2.723 0 40 GFAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)Cc2c[nH]cn2)ccc1-n1cncn1 89591403 JRVAOPVLVQYRBY-LJQANCHMSA-N 386.459 2.883 0 40 GFAB COc1ccc(CCC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 89821059 NHCDQQGSBILRPW-OAHLLOKOSA-N 384.440 2.700 0 40 GFAB CC(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)c1 555247611 ILYZUQCSVUCTRA-OAQYLSRUSA-N 387.501 2.645 0 40 GFAB Cc1ccc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)s1 306128636 HHABOOYMFBYABM-UHFFFAOYSA-N 385.537 2.769 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1C 408602272 CQOOAGGIJNYMSZ-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 409133922 NXCCTUUGHFVRQN-HNNXBMFYSA-N 376.478 2.631 0 40 GFAB CCOC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 408584679 SWVZWLMZVNCNIR-MRXNPFEDSA-N 391.489 2.928 0 40 GFAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1N1CCOCC1 32114862 FLKBUDLYRQMGBG-UHFFFAOYSA-N 385.489 2.724 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)NCC1(N2CCOCC2)CCCCC1 32674325 DQFKKELNLABRLL-UHFFFAOYSA-N 388.508 2.592 0 40 GFAB O=C(NCCOc1cccc(Cl)c1)C1CCN(C(=O)c2cccnc2)CC1 40113533 FWPYUFQGRVQDSK-UHFFFAOYSA-N 387.867 2.782 0 40 GFAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 226860574 KEHINARMMGITGM-UHFFFAOYSA-N 383.809 2.952 0 40 GFAB COc1cc(OC)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225991919 JCFUKJJJWBFJCA-UHFFFAOYSA-N 388.493 2.529 0 40 GFAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149761 OJXYCXAAXXSPCN-PMACEKPBSA-N 399.564 2.769 0 40 GFAB COc1cccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 224868529 BTHIDNWPQGZBSC-UHFFFAOYSA-N 390.505 2.599 0 40 GFAB O=C(NCCCCOc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2 40012056 AETHSBLJVWXIPU-UHFFFAOYSA-N 379.869 2.591 0 40 GFAB c1ccc(Cn2nnnc2CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 534316006 UFVACTJWYLGVJH-GOSISDBHSA-N 386.463 2.844 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 220175876 MCEBDTCXLOAUMA-HNNXBMFYSA-N 388.489 2.829 0 40 GFAB COc1cccc(NC(=O)c2nc3c(s2)CCN(c2ncccn2)CC3)c1 96146896 UQNCCYSLMZNSEX-UHFFFAOYSA-N 381.461 2.799 0 40 GFAB COc1cccc(CN2C[C@@H]3CCC[C@@](O)(c4cnc(OC)nc4OC)[C@H]3C2)c1 247912096 VAVFHSYGOBHXAC-XWFZLUIHSA-N 399.491 2.622 0 40 GFAB CC(C)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 243759704 QBBZIGRQVQJOEH-UHFFFAOYSA-N 390.461 2.943 0 40 GFAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)cc2)n1 604382083 CQQTWSBENNWYNN-UAFMIMERSA-N 387.499 2.603 0 40 GFAB biogenic,in-vitro Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C(C)C)[C@H]1O 257199831 AAYSKTKXYUNUQC-VAMGGRTRSA-N 381.480 2.959 0 40 GFAB Cc1ccc(=O)n(CC(=O)N2C[C@H]3[C@@H](Oc4ccc(Cl)cc4)CC[C@H]3C2)n1 257312398 UNUCZHVJZJNYGX-QGTPRVQTSA-N 387.867 2.521 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)N3CCOCC3)cc2)cc1 586661783 SZMZDRJADJMPSC-UHFFFAOYSA-N 383.404 2.590 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)cc1C(=O)O 543162573 ONKWFBJEGWYFAT-NSHDSACASA-N 379.438 2.670 0 40 GFAB C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)N=c1ccn(-c2ncccc2F)[nH]1 652777686 FXQQDUQGUOKLRX-CQSZACIVSA-N 398.417 2.710 0 40 GFAB O=C1CCCc2cc(S(=O)(=O)N3CC[C@H](C(=O)O)c4ccccc43)ccc21 656647623 WGZKPBZDRARHPD-KRWDZBQOSA-N 385.441 2.973 0 40 GFAB CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)cn3)CC2=O)c1 1116551108 MJTYDQLLQNWCOG-ZDUSSCGKSA-N 384.461 2.754 0 40 GFAB CC1(CO)CN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 632414997 PRLJQFRJFCVSLE-UHFFFAOYSA-N 392.424 2.832 0 40 GFAB COc1ccc(S(=O)(=O)NCC[C@H](O)c2cc3ccccc3o2)cc1F 96097289 VOEFOWPPGWNJHP-HNNXBMFYSA-N 379.409 2.983 0 40 GFAB CCCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 72393286 HQXXOOQWAALITI-KRWDZBQOSA-N 390.491 2.954 0 40 GFAB CN1CC[C@@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@@H]1c1ccccc1 89375141 JOCCCRMUZJUWLX-XLIONFOSSA-N 377.448 2.626 0 40 GFAB COC(=O)c1ccc(OC(C)C)c(NC(=O)N2CCC[C@@H]2c2nncn2C)c1 95453504 MOOUFLWRCZLVOA-OAHLLOKOSA-N 387.440 2.758 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 12374057 CSZRWPXQCIDIHT-HNNXBMFYSA-N 381.480 2.711 0 40 GFAB Cc1cc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(C)n1C1CC1 14126037 XVHOXXNEAKNBSH-UHFFFAOYSA-N 386.540 2.600 0 40 GFAB COc1ccc(OC[C@@H](C)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1 19456719 AKIORJJYSHVMQL-CYBMUJFWSA-N 383.452 2.628 0 40 GFAB COc1ccc(OC)c(CN2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 19590707 GVFOQDFOWASSPZ-UHFFFAOYSA-N 382.508 2.861 0 40 GFAB Cc1cc(C)c2c(=O)n(Cc3nc(-c4cccs4)oc3C)c(=O)n(C)c2n1 19625519 TYBVHOPTBOMFHD-UHFFFAOYSA-N 382.445 2.785 0 40 GFAB CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2CN2CCCC2)c1 19659633 PAMPYUDSKZXPLD-UHFFFAOYSA-N 391.468 2.582 0 40 GFAB CN1CCc2nnc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2CC1 19710792 MJSZCLKFPPKFEK-GOSISDBHSA-N 385.487 2.592 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)(C)c1ccccc1F)C2=O 19715364 MOHMXBDNOZZPFD-UHFFFAOYSA-N 389.471 2.720 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1 19754665 JPWSSDPHESUHMQ-INIZCTEOSA-N 389.455 2.901 0 40 GFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 19759233 LLIINSHSOWDTAX-IBGZPJMESA-N 395.507 2.793 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 19868583 CPXYBHKBWSXUDM-KVSKMBFKSA-N 394.512 2.672 0 40 GFAB Cc1cc2nn(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc2cc1N 226305716 HPPVDGHQMXBPDD-UHFFFAOYSA-N 385.493 2.732 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H]([C@@H](NC(C)=O)c3nccs3)C2)cc1 12157990 DLRGSQODESOYHU-QFBILLFUSA-N 387.505 2.810 0 40 GFAB Cc1cc(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)c(=O)[nH]c1C 12337820 SGXOOELDADPURC-KRWDZBQOSA-N 395.463 2.724 0 40 GFAB Cc1ccnc(CNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 656013253 HBIRSPYWDANDSS-IBGZPJMESA-N 388.899 2.604 0 40 GFAB Cn1cc(CCNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(Cl)ccc21 19655021 RHLXGFUDGKLGEG-UHFFFAOYSA-N 380.839 2.780 0 40 GFAB Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(N)=O)nnc23)c1 4500468 ZPTHTCJNIIHPSD-CYBMUJFWSA-N 393.472 2.616 0 40 GFAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NC2CCCCC2)s1 5151035 UJPPOMQHMPHJPP-UHFFFAOYSA-N 380.466 2.721 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2Cc2cccs2)c1C 8075561 CKCBCCZPWZFJSB-UHFFFAOYSA-N 375.479 2.905 0 40 GFAB Cc1nc(N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)nc(O)c1F 1888857038 UCIQWEQPIAMKRN-UHFFFAOYSA-N 398.360 2.540 0 40 GFAB CC(C)(C)N1C(=O)OC2(CCN(C(=O)Cc3ccc(F)cc3F)CC2)C1=O 1888919571 VJPNFBUDGPNBEH-UHFFFAOYSA-N 380.391 2.646 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)c1 16175285 OGAWDNAIPJFFBV-UHFFFAOYSA-N 375.490 2.999 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2nccs2)CC1 23436032 ZBEIDUPMRRXCEF-UHFFFAOYSA-N 393.412 2.553 0 40 GFAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(Cc2nc3ccccc3s2)CC1 23865472 MDJRZGJJHCAIBR-SFHVURJKSA-N 379.485 2.944 0 40 GFAB C[C@H](C(=O)NC(C)(C)COCc1ccccc1)N1C(=O)c2ccccc2C1=O 96561632 IIZUVTVJYDPCHB-OAHLLOKOSA-N 380.444 2.783 0 40 GFAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cnc(O)c(Cl)c1 253472037 ILIGGBIMVJEQAQ-UHFFFAOYSA-N 386.824 2.537 0 40 GFAB CC(C)CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 4249175 XGEKRFYXQTVLKC-OAHLLOKOSA-N 381.480 2.731 0 40 GFAB Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)NC2CCCCC2)cc1C 4271831 VEYJQBXUZSQDDZ-UHFFFAOYSA-N 386.521 2.973 0 40 GFAB CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)c1 4585839 HYPXCUFRDISOGL-UHFFFAOYSA-N 387.417 2.791 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(F)cc2)cc1 4569280 GPTNUEDLJVSSEK-QGZVFWFLSA-N 376.453 2.717 0 40 GFAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)c(C)c2)c1 12421817 PITZSYDFJSIIRN-UHFFFAOYSA-N 386.429 2.652 0 40 GFAB O=C(c1cncc(F)c1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2086896614 COUAATNBQGQWTQ-IAQYHMDHSA-N 380.345 2.985 0 40 GFAB O=C(Nc1ccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1)C1CC1 2298048626 FBWFTOAXDSNZBO-UHFFFAOYSA-N 392.385 2.566 0 40 GFAB Cc1oc2c(c1C(=O)N1CC[C@H](c3nn(CCN)c4ncccc34)C1)CCCC2 19581182 VMRXFTAXMJCVGL-HNNXBMFYSA-N 393.491 2.800 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640115 KEGDUKOXYKDVSL-CYBMUJFWSA-N 393.358 2.865 0 40 GFAB COc1cccc(NC(=O)N[C@@H]2C[C@@H](c3nc(C)nn3C(C)C)CC[C@H]2O)c1 2332241726 XXMIYEPANRMICK-BMGDILEWSA-N 387.484 2.995 0 40 GFAB NC(=O)CCOc1ccccc1NS(=O)(=O)c1ccccc1Br 40139101 ZEEZRFNMOHPOQE-UHFFFAOYSA-N 399.266 2.504 0 40 GFAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 40133406 MUUWYSQYUGSNMU-GFCCVEGCSA-N 380.876 2.551 0 40 GFAB CCOC(=O)c1cc(NC(=O)c2ccnc(N(C)C)c2)cc(C(=O)OCC)c1 40129232 BTWJNMAQFJNSKG-UHFFFAOYSA-N 385.420 2.753 0 40 GFAB COc1ccc([C@H](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)NC(C)=O)cc1 31235620 PXLHYUBULUORQD-AVRDEDQJSA-N 395.503 2.905 0 40 GFAB Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)C[C@H](C)C2 20555705 JYMYHICTMJPPED-CQSZACIVSA-N 394.475 2.601 0 40 GFAB O=C1Cc2cc(C(=O)CSc3nnnn3-c3ccccc3)c(Cl)cc2N1 32072926 XIZZEMXOVCTBEM-UHFFFAOYSA-N 385.836 2.785 0 40 GFAB O=C1CN(c2ccc(NC(=O)c3csc(Br)c3)cc2)CCN1 32931392 JAZXKSTWRSMURJ-UHFFFAOYSA-N 380.267 2.699 0 40 GFAB O=C(CCc1ccco1)NCc1ccccc1S(=O)(=O)N1CCCCC1 22325891 YBFODDQUDOEWRY-UHFFFAOYSA-N 376.478 2.703 0 40 GFAB CCN(CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 23197897 WDWHUUYBJMULOK-FPOVZHCZSA-N 380.488 2.837 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1Cl 2653423 VTNUFLBJXIDVQA-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1OC 4106298 BQCPRJAFOSBEJC-AREMUKBSSA-N 377.466 2.670 0 40 GFAB O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 4622769 ZMDDHPOHVIMAIS-SFHVURJKSA-N 387.842 2.933 0 40 GFAB Nn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1cccc(F)c1 4876945 AWNXCZIHPWGPHI-UHFFFAOYSA-N 391.859 2.860 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)NCc3cccs3)C2)cc(OC)c1OC 5030979 CKHXDQBENOJBPH-INIZCTEOSA-N 376.434 2.583 0 40 GFAB O=C1CCc2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc3c2N1CC3 5153483 VFUBKCRPLUREQK-UHFFFAOYSA-N 390.892 2.696 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)n2)cc1 5298130 BVWIKCVEAYRJIR-ZUOKHONESA-N 395.467 2.507 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)CC1 5353875 RGYQZBMPZFJYOX-UHFFFAOYSA-N 390.436 2.609 0 40 GFAB CCCS(=O)(=O)N1CCc2nc(-c3ccc(OC)c(OC)c3)sc2C1 6759589 YIHXKUPRVPHIKM-UHFFFAOYSA-N 382.507 2.925 0 40 GFAB CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C 6783794 FBJJTDDLIHTKCS-UHFFFAOYSA-N 381.841 2.650 0 40 GFAB CC(C)CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 6818261 UFKCOENWRTVGAG-UHFFFAOYSA-N 382.511 2.984 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818267 VNANCZJRYAGLQV-UHFFFAOYSA-N 378.435 2.599 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 6949406 ZWBMZHMZOLOVPZ-UHFFFAOYSA-N 395.506 2.937 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC)Cc2ccccc2)cc1Cl 7881292 GASAXHPYVRROML-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB COc1ccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OC 8361563 GQFMSHABRWJYFK-UHFFFAOYSA-N 389.448 2.979 0 40 GFAB CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 8379644 NCOPWEZOAVHGRY-UHFFFAOYSA-N 388.489 2.622 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCCCCC2)c1 8720731 SEWYSAQMYUBDKM-UHFFFAOYSA-N 379.526 2.553 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc2c(c1)OCO2 8745250 NVRIQZGCRCCGBZ-UHFFFAOYSA-N 385.401 2.576 0 40 GFAB Cc1cccc(C(=O)Nn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 11665740 HFGICNQKKAJJSP-UHFFFAOYSA-N 379.807 2.928 0 40 GFAB O=C(CNC(=O)c1ccc(F)cc1)Nc1nc2cc3c(cc2s1)OCCO3 11752387 LJUHRKFJRCZSBF-UHFFFAOYSA-N 387.392 2.575 0 40 GFAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCCC[C@H]5C)nc4c23)C1 12184162 ZSZDBTGAKGTOGM-CHWSQXEVSA-N 399.520 2.632 0 40 GFAB COc1cc(Cn2nc(C)c3cnn(-c4ccccc4)c3c2=O)cc(OC)c1 12228084 STLMFWRNOICKES-UHFFFAOYSA-N 376.416 2.956 0 40 GFAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 12536276 PYMATUOXIMJJOX-UHFFFAOYSA-N 382.507 2.793 0 40 GFAB CC(=O)c1ccccc1OCCN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 13005487 DFWLWALPCQNFHD-IBGZPJMESA-N 391.427 2.912 0 40 GFAB CCc1ccc([C@@H](CNS(=O)(=O)c2cccc(C(=O)O)c2)N(C)C)cc1 13073201 VIGOPNLRVBLLBQ-GOSISDBHSA-N 376.478 2.528 0 40 GFAB CCOc1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582885 FECSGHWEPJVCRQ-UHFFFAOYSA-N 378.450 2.742 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(C)c1 13671743 YCVRRWLZOYWSMQ-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB O=C([C@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 13696678 AYRSUPZNEBLAKP-GOSISDBHSA-N 390.436 2.695 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c(Cl)c1 14183077 IPRFBRIVQNJRHU-UHFFFAOYSA-N 379.825 2.730 0 40 GFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 14220437 RMIXRCBYDIHUJP-GFCCVEGCSA-N 378.450 2.702 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1 15194928 MPELEYGWJKQBAM-UHFFFAOYSA-N 387.392 2.780 0 40 GFAB COc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 15197226 PVQQYRHQYLBTSU-LBPRGKRZSA-N 393.461 2.607 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 15535003 VVFQAGXVLAXZPE-GXPWMBGSSA-N 399.491 2.859 0 40 GFAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccco3)cs2)cc1 16850385 MBYRTQVBHXJHGW-UHFFFAOYSA-N 391.474 2.742 0 40 GFAB COc1cccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccccc2)c1 19285413 JCRNSKWCNJTTMX-FQEVSTJZSA-N 377.444 2.730 0 40 GFAB CC(C)N1CCc2nc3cc([C@@H]4CCCN4C(=O)C(C)(C)C)nn3c(O)c2C1 19448105 NNHAUHCRPXYBKP-KRWDZBQOSA-N 385.512 2.911 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2oc(C)nc2C)n1 19698320 NUTGYNWMGSJTSF-LJQANCHMSA-N 383.496 2.724 0 40 GFAB Cc1cc(CCCC(=O)N2CCC(c3nnc4n3CCNCC4)CC2)ccc1F 19709425 FRVKFPBQVIVKGK-UHFFFAOYSA-N 399.514 2.600 0 40 GFAB Cc1ccc2c(c1)c(=O)c(C(=O)NC1CCN(Cc3ccccn3)CC1)cn2C 19718096 BTADDYGIADSMNS-UHFFFAOYSA-N 390.487 2.636 0 40 GFAB C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1)c1ccccn1 19749299 WIISMFXSXUFGBM-CQSZACIVSA-N 394.406 2.512 0 40 GFAB COc1ccc(CNC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937579 ALTPZIDAINIUDJ-UHFFFAOYSA-N 383.835 2.958 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 20060406 IUGAOIZUNQYHHN-ROUUACIJSA-N 379.489 2.970 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 20106707 TVHHYKHIHPKYOG-OAHLLOKOSA-N 376.478 2.729 0 40 GFAB CCOC(=O)COc1ccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)cc1 20167731 GNJKFKNQBYNZNU-WMLDXEAASA-N 391.468 2.587 0 40 GFAB NC(=O)C1CCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 22240708 NLVDMMAQCKQNKI-UHFFFAOYSA-N 392.912 2.523 0 40 GFAB CC(C)Oc1ccc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 22432027 MTLLCLIUUNRGEJ-UHFFFAOYSA-N 376.478 2.556 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 22804955 WVINVYNUUUINOP-UHFFFAOYSA-N 393.487 2.580 0 40 GFAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCCC[C@@H]4C)cnc32)c1 22879366 ZPKAXBAEPIMXLJ-INIZCTEOSA-N 379.464 2.600 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 22930746 AAVJJOFEZRNYGD-UHFFFAOYSA-N 391.475 2.801 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)Cn2nc(-c3cccs3)oc2=O)cc1 23007481 MTQKUASKPKIBJR-HNNXBMFYSA-N 385.445 2.937 0 40 GFAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Cl)cc1 23108102 IRWCUBNRVJRKAH-SFHVURJKSA-N 398.887 2.831 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3ccnc(Cl)c3)CC2)cc1OC 25386129 JDNXAWRHUPVWDA-UHFFFAOYSA-N 375.856 2.710 0 40 GFAB Cc1ccc(CNC(=O)[C@@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 29660573 FUHAQOKVIWOEBW-QGZVFWFLSA-N 383.467 2.597 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)cn1C 31667311 OTCBESUKANHVTN-UHFFFAOYSA-N 397.547 2.664 0 40 GFAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCCc1cccs1 32752974 BKERENKNESYKKR-UHFFFAOYSA-N 391.518 2.962 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1NS(C)(=O)=O 32771566 MWMLEQKLBWWZLE-GFCCVEGCSA-N 395.456 2.953 0 40 GFAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(CN2C(=O)CNC2=O)c1 32902736 OFNCJSKSJPZCBH-UHFFFAOYSA-N 399.476 2.890 0 40 GFAB CN1[C@@H](CCC(=O)Nc2ccccc2)CNC(=O)[C@@H]2[C@H]1CCN2C1CCCCC1 35442483 LIOQSNNYIURFNW-VWPQPMDRSA-N 398.551 2.611 0 40 GFAB biogenic,in-vitro O=C(NCc1ccc(N2CCOCC2)nc1)NCc1ncc(-c2ccccc2)o1 36394975 YFZWSXYLMSKPRJ-UHFFFAOYSA-N 393.447 2.573 0 40 GFAB CCCc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 36700139 AAUMCZBADPAJHY-OAQYLSRUSA-N 388.533 2.991 0 40 GFAB CC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38754246 RLVXASUKDKKTPS-IBGZPJMESA-N 380.554 2.823 0 40 GFAB Cc1ccc(C(=O)Cn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)s1 39982477 DMIRERNUKQBBBR-UHFFFAOYSA-N 381.523 2.927 0 40 GFAB Cc1ccc(OCCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C)c1 40069325 YWMVIETXNDHZIX-UHFFFAOYSA-N 390.505 2.639 0 40 GFAB CN(C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccccc1Cl 40086969 XINRAFIYXQAEFK-KRWDZBQOSA-N 387.867 2.580 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cn2)C[C@H](C)O1 40142652 GPICVMRHUXWKFT-HOTGVXAUSA-N 392.463 2.587 0 40 GFAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 43747456 UHZUEESXOSFTGP-INIZCTEOSA-N 388.489 2.507 0 40 GFAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 44737066 FESTUSQTATXWRH-INIZCTEOSA-N 377.444 2.879 0 40 GFAB O=S(=O)(NCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)OCCCO2 47280452 SHSPEAYHOCUUAU-UHFFFAOYSA-N 386.429 2.981 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 53081596 GMWIOUCUJFIALB-OAHLLOKOSA-N 383.448 2.658 0 40 GFAB COc1ccc2c(CC(=O)NC3CCN(C(=O)c4ccncc4)CC3)coc2c1 53340008 CJUCCIPSOBOFQM-UHFFFAOYSA-N 393.443 2.800 0 40 GFAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl 55637338 ZJKHOFOWFPJFDZ-UHFFFAOYSA-N 398.868 2.526 0 40 GFAB C[C@@H]1CCc2nc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)sc2C1 57741703 MWDWDBZDPGKLDF-GFCCVEGCSA-N 390.509 2.851 0 40 GFAB O=C1[C@@H](n2cnnn2)[C@H](c2ccc3c(c2)CCO3)N1Cc1ccc(Cl)cc1 58152009 RTFBWEKOIGZHJJ-ROUUACIJSA-N 381.823 2.586 0 40 GFAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CCO1 68079279 SWFKLAWDUNLDNU-HIFRSBDPSA-N 382.407 2.530 0 40 GFAB COc1cccc(N2CCN(C[C@H](CC(=O)Nc3ccccc3)C(=O)O)CC2)c1 71283131 WQBYTXQWLPSBJK-KRWDZBQOSA-N 397.475 2.547 0 40 GFAB O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 77197602 NRRKUMXWHRFXQM-JOCHJYFZSA-N 392.499 2.895 0 40 GFAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CC[C@@H](c2ccccc2)C1 79474095 SAFKUIUZYFNLQU-GOSISDBHSA-N 399.560 2.629 0 40 GFAB O=C(O)CCCc1nc2ccccc2c2nc(=O)c(-c3ccc(F)cc3)nn12 89872965 KHSJKBSUORHQLB-UHFFFAOYSA-N 378.363 2.851 0 40 GFAB COc1ccc(-c2cc(C(=O)NCc3nc4ccccc4n3C)n[nH]2)cc1OC 95479061 CGFBEECQPSWJNS-UHFFFAOYSA-N 391.431 2.911 0 40 GFAB NC(=O)Cc1csc(NC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)n1 95948059 HHKRQHPPZIVUAZ-DAFODLJHSA-N 375.837 2.795 0 40 GFAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)NCc1ccccc1)CC2 96147052 LQBOYNASQPNDBN-UHFFFAOYSA-N 386.521 2.936 0 40 GFAB Cn1c(CCCNC(=O)c2c[nH]c3c(F)cccc3c2=O)nc2ccccc21 96231265 GMOXQLMACKXOMI-UHFFFAOYSA-N 378.407 2.917 0 40 GFAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2)sc2cc(NC(C)=O)ccc21 100877725 IBCLAMYSZIMXTC-XDOYNYLZSA-N 397.456 2.965 0 40 GFAB CCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 113933562 BUYIYYDDHJINGW-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1 223416434 UJDPNNZWFZVWNC-UHFFFAOYSA-N 380.495 2.664 0 40 GFAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223569243 KEWFSYBOQQVOQO-VQTJNVASSA-N 394.500 2.846 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1Cl 223826902 BJMFGAQRFALEBO-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C 223861813 KHRCKUMURSTAKK-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](OC)c2ccc(Cl)s2)cc1 225708520 BVWUDOICABGZFY-LBPRGKRZSA-N 396.852 2.631 0 40 GFAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 226856378 RXQONHONQQCPGU-GFCCVEGCSA-N 376.906 2.827 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCCSC3CCOCC3)CC2=O)cc1C 238845159 IDHMOZQWFCKDGV-INIZCTEOSA-N 376.522 2.685 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](c2noc(-c3cccs3)n2)C1 244914790 BDWSOTPSALEINW-LBPRGKRZSA-N 396.428 2.722 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc4ccccc4oc3=O)C2)c1F 245060673 PUXSWMFAOQHDKT-ZDUSSCGKSA-N 383.379 2.578 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCSCC2)c(C)c1 253407810 WUCKHKFDFGEWFF-MRXNPFEDSA-N 396.534 2.665 0 40 GFAB Cn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1cccc2ccccc12 253472244 KWGQLHMXHIUARQ-UHFFFAOYSA-N 379.445 2.509 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)(C)C)C1 260775146 PNFLVMWUIZOKQD-HNNXBMFYSA-N 382.526 2.567 0 40 GFAB Cn1cc(-c2n[nH]cc2C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cn1 275502317 MMZFRPGZWMXFJZ-MRXNPFEDSA-N 377.408 2.790 0 40 GFAB CC(C)n1cnc([C@H]2CN(C(=O)N3CCCC3)C[C@]23CCN(CC2CC2)C3=O)c1 306122957 AAMLPBLTZGLBNU-XMSQKQJNSA-N 399.539 2.708 0 40 GFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 408589857 FWWLUJQRZPHCOY-UHFFFAOYSA-N 390.505 2.963 0 40 GFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1ccco1 408730826 IYENMZPSPYILQF-XSVZSIDJSA-N 394.452 2.500 0 40 GFAB O=C(NCCCO)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408979835 SQCVYCQMIAVYRO-UHFFFAOYSA-N 385.427 2.866 0 40 GFAB O=C(N1CC[C@@H](Oc2ncc(Cl)cn2)C1)C1(c2ccccc2)CCOCC1 575608349 XVRVOHLGOPVHSK-QGZVFWFLSA-N 387.867 2.858 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149028 RRYCRGTVLSHGRQ-INIZCTEOSA-N 387.457 2.571 0 40 GFAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN2C(=O)/C=C/c2ccnn2C)s1 585292059 JKOIUVFGKHBPOQ-NFAHFFEMSA-N 395.492 3.096 0 40 GFAB Cc1ccc(-n2nc(C(=O)N3Cc4nc(C)nc(O)c4C3)c3c2CCC3)cc1 636283243 GLBFFZHEDYGIAR-UHFFFAOYSA-N 375.432 2.629 0 40 GFAB COc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@@](C)(CO)C2)N2CCCCC2)cc1 663435945 SYZNRYLEPXWXPN-RBDMOPTHSA-N 389.540 2.882 0 40 GFAB O=C(NCCc1ccc2c[nH]nc2c1)[C@@H]1CCCN1c1ncnc2ccccc12 671882036 JMONWKPWBRKKJG-FQEVSTJZSA-N 386.459 2.834 0 40 GFAB COc1cc(C(=O)Nc2cc(F)ccc2N)ccc1OCC(=O)NC(C)C 1118144312 VRMYEFXKVZWECX-UHFFFAOYSA-N 375.400 2.572 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)CCc5ccccc5)C[C@H]4C3)n1)CCC2 1888890457 WOEWRJJOIJAVRY-KDURUIRLSA-N 376.504 2.801 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 1888899299 NADOHALYMORVBM-UHFFFAOYSA-N 378.402 2.817 0 40 GFAB CCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(C)(=O)=O)cc1 839905 QIQNCQOVJBHCTO-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CC[C@H](Sc1nncn1C)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1 1429926 ARHGLJBXOJAIPP-AWEZNQCLSA-N 388.522 2.618 0 40 GFAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)NCc1ccccc1 1784863 CGDWCRNJCUVFPG-UHFFFAOYSA-N 376.441 2.836 0 40 GFAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 3195994 AQQSKAPNJWFLNT-KDOFPFPSSA-N 395.411 2.681 0 40 GFAB biogenic O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CCCc2ccccc21 3418227 XWHZKVDPAGJNHW-CYBMUJFWSA-N 377.238 2.966 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3466759 UVMUHOYMCFONBP-KRWDZBQOSA-N 391.471 2.883 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccccc1 3600464 MCEGAKCHTGUSGY-RNODOKPDSA-N 385.851 2.984 0 40 GFAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccccc4)ncnc32)cc1 4166741 GENWGAXLSCRZTN-UHFFFAOYSA-N 392.444 2.950 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCCC3)NC(=O)N[C@H]1C 4767988 QDZSQHRGCMUHPA-NSHDSACASA-N 392.477 2.692 0 40 GFAB COc1ccc(CCN(C)C(=O)COc2nncc3ccccc23)cc1OC 5261992 NSVCSUKBOKYKIU-UHFFFAOYSA-N 381.432 2.727 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 5576566 UYWPEJQZRMYOPO-OAHLLOKOSA-N 382.416 2.864 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1c(C)nc2ccccc21 5627756 CRUOWAOSTXHSSY-UHFFFAOYSA-N 382.439 2.649 0 40 GFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 5631840 MZBSPWSQSHDGJC-UHFFFAOYSA-N 397.250 2.526 0 40 GFAB COc1ccccc1-n1cnnc1SCc1cc(=O)n2c(C)csc2n1 6082100 AXYUIZIGQXLREK-UHFFFAOYSA-N 385.474 2.946 0 40 GFAB CC1CCC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 6112453 FWJNPSUYHUHYSN-UHFFFAOYSA-N 378.270 2.854 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1 6728371 OCNYVHVHNRAMMF-HNNXBMFYSA-N 376.478 2.556 0 40 GFAB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 6958552 PQFVMTGCWZMJEC-WDZFZDKYSA-N 394.225 2.514 0 40 GFAB CCn1nnc2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)ccc21 6981560 JMNHDKZUDYWLHP-UHFFFAOYSA-N 377.448 2.616 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 7053795 LANZALNTGSLJSI-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB C[C@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)NCc1ccco1 7374826 VJGBWRHYDWIAEN-LBPRGKRZSA-N 390.823 2.922 0 40 GFAB COC(=O)c1ccc(COC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1 7985240 JQYAAYBDCLXGKP-HXUWFJFHSA-N 383.444 2.900 0 40 GFAB C#CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1Cl 8091984 KIQWFOZRXQAJAN-JYRVWZFOSA-N 381.862 2.726 0 40 GFAB Cc1cccc(-n2ccnc2SCC(=O)N2CCN(C(=O)C3CC3)CC2)c1C 8720170 GZLKCBRMMQYBBH-UHFFFAOYSA-N 398.532 2.662 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2)c1ccco1 9114006 DWZHGJWYIYTCOS-MRXNPFEDSA-N 378.384 2.988 0 40 GFAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNc1nc(Cl)nc2[nH]cnc12 9531092 AMUDWLFKRYEXIP-JTQLQIEISA-N 383.843 2.647 0 40 GFAB Cc1cc(NC(=O)C2CC2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661169 FCRDRCMIVNMLLO-UHFFFAOYSA-N 377.383 2.797 0 40 GFAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)ccc1NS(C)(=O)=O 10314920 JJYQWQBSLBSRHQ-UHFFFAOYSA-N 389.477 2.757 0 40 GFAB CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCn1nnc2ccccc21 10496363 ADWHIIBBUFXFNN-UHFFFAOYSA-N 398.410 2.912 0 40 GFAB O=C(c1ccc(F)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11003414 ZLOJLILZZDEJJP-UHFFFAOYSA-N 380.416 2.502 0 40 GFAB COc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1 11914061 GSGKMGLCKCTLQM-FQEVSTJZSA-N 379.416 2.637 0 40 GFAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2c(Cl)cnn2C)c(C)n1 12159864 CRRLUACYJHKFHW-CQSZACIVSA-N 385.921 2.904 0 40 GFAB COc1cccc(F)c1-c1nc(C)c(C(=O)N2CCC(C(N)=O)CC2)s1 12390179 TURUWOUWOVIOSB-UHFFFAOYSA-N 377.441 2.604 0 40 GFAB O=C(CC[C@@H]1CCCO1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12407046 LNEXGHQYLMZUOM-OLZOCXBDSA-N 379.411 2.727 0 40 GFAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)N1CCc2ccccc21 12445121 LYCAUSUMCWTKET-UHFFFAOYSA-N 393.487 2.593 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12856917 COHGHJQGVNROJR-UHFFFAOYSA-N 396.487 2.916 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1 12893224 XPRVIVHECIJCFM-UHFFFAOYSA-N 396.472 2.886 0 40 GFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C[C@H]1OC(=O)c2ccccc21 12913378 XGWFRGKKURTFEI-CQSZACIVSA-N 392.333 2.803 0 40 GFAB COc1cccc(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c1 12971752 LVBLVFYUQLGXFZ-CYBMUJFWSA-N 380.495 2.868 0 40 GFAB C[C@H](C(=O)N1CCCc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 13669603 HPTJKMOJEIMGLF-CQSZACIVSA-N 376.453 2.960 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC(Cc2ccccc2)CC1 13688786 VABPAZWWDOFDMT-BGYRXZFFSA-N 380.488 2.809 0 40 GFAB COc1ccc(OC)c2c1s/c(=N\C(=O)[C@H]1COc3ccccc3O1)n2C 13878765 NADDGFDQMXLWOV-MVZUJROASA-N 386.429 2.524 0 40 GFAB COC(=O)C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 14015881 LGGIXPOLHLABRX-QGZVFWFLSA-N 381.384 2.592 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)n1 14164667 BNYJQJFDHIRLRC-CQSZACIVSA-N 394.460 2.796 0 40 GFAB COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 14189614 ZBOLEPWSRCUNCM-UHFFFAOYSA-N 382.416 2.915 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 14247500 RROIMJQEWOLZOU-LJQANCHMSA-N 384.457 2.993 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1 15438598 NJHNEVZPMMJKLV-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1C(C)C 19237762 OKXNZUUNMLNIJS-NRFANRHFSA-N 394.519 2.518 0 40 GFAB NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccccn2)C1 19348452 MVWBTSNNRJLCNQ-QHCPKHFHSA-N 386.455 2.704 0 40 GFAB CCc1nnsc1C(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 19521883 XCGJSJVNROVDBZ-ORAYPTAESA-N 388.468 2.518 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@@H]3CCN(C)C3)ncc2C1 19587995 ZAFAFZFINCUHIM-CYBMUJFWSA-N 386.883 2.756 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19693580 HULDIFCMNFCEKL-LJQANCHMSA-N 382.464 2.524 0 40 GFAB CCCOc1ccc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 22395982 RAUCMFUETWERHK-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB COc1cc(NCC(=O)NC(=O)NCc2ccccc2)c(OC)cc1Cl 23380554 RRHPAQGGJIKGOG-UHFFFAOYSA-N 377.828 2.795 0 40 GFAB O=C1C[C@@H](C(=O)NCCc2nccn2Cc2ccccc2)c2ccc(F)cc2N1 26217254 CSFSBDANMOYIPQ-GOSISDBHSA-N 392.434 2.855 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 27566925 HIUOLUYYYQMFSS-OAHLLOKOSA-N 382.489 2.704 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCC1=CCCCC1 28207379 JRZCABUSQXPUGL-UHFFFAOYSA-N 380.510 2.631 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1 28881040 IIUVBVWOPXPXTI-MRXNPFEDSA-N 381.476 2.981 0 40 GFAB CC(C)CN1C[C@H](C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1=O 29780812 RZRKBLJGLVGLBH-MRXNPFEDSA-N 386.414 2.886 0 40 GFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2cccnc2)CC1 30593225 KSQJUINIJMHZIW-UHFFFAOYSA-N 385.411 2.607 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 30757954 JNRJREVQRZFAJP-UHFFFAOYSA-N 388.489 2.999 0 40 GFAB NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccc(F)cc2)CC1 32832509 VEXWZKURNRSLCN-JXMROGBWSA-N 395.434 2.815 0 40 GFAB Cc1cccc(OCC(=O)NCc2ccccc2CN2CCN(C)CC2)c1C 32915603 LKDIZSPRKTZAQE-UHFFFAOYSA-N 381.520 2.746 0 40 GFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)cn2)n1 36764126 WKTGXRASNGUGQL-SFHVURJKSA-N 381.436 2.870 0 40 GFAB O=C(Cc1ccc(NS(=O)(=O)c2cccnc2)cc1)NCc1cccs1 38678499 BJNXZUKSPIGOKS-UHFFFAOYSA-N 387.486 2.803 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc(F)cc1 40001121 CYNRRVLHKJHGBY-QZTJIDSGSA-N 379.391 2.547 0 40 GFAB Cc1nn2c(nnc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40390988 QGSFKAAGRWGGAA-QGZVFWFLSA-N 377.404 2.696 0 40 GFAB COc1ccc(CNC(=S)Nc2ccc3c(c2)OCCO3)c(OC)c1OC 44252161 MPRFNTBYPVKFFW-UHFFFAOYSA-N 390.461 2.970 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1I 45839957 BHRKLUPXALUICF-UHFFFAOYSA-N 392.200 2.983 0 40 GFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 46635481 GYCUFSWHIDSRTC-GOSISDBHSA-N 379.416 2.625 0 40 GFAB O=C(NCC(=O)N1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccccc12 49027757 OWEHFCXGUULXDG-UHFFFAOYSA-N 396.878 2.900 0 40 GFAB CCN1CCC[C@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C1 51137056 OXGBNKUHTFFGJQ-HNNXBMFYSA-N 386.464 2.979 0 40 GFAB Cc1nc(-c2c[nH]c(C(=O)NCCS(=O)(=O)c3ccccc3)c2)cs1 53558061 UXLYDXSENTYYOV-UHFFFAOYSA-N 375.475 2.650 0 40 GFAB COc1ccccc1/C=C/C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 54911885 DVWZRAYEXPJHFZ-IZZDOVSWSA-N 397.450 2.630 0 40 GFAB CCCN1CC[C@@H](CNC(=O)N2CCc3cc(OC)c(OC)cc3CC2)C1 56729819 SXEGHZTZADSEPV-INIZCTEOSA-N 375.513 2.546 0 40 GFAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(F)c2)c1=O 57486086 XNFZAAWLQCVMFP-UHFFFAOYSA-N 375.425 2.659 0 40 GFAB O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccccc1-n1cncn1 57984597 DPXSUSNXIYZQMP-UHFFFAOYSA-N 383.383 2.637 0 40 GFAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(F)c(F)c2F)CC1 58159118 LIFBHIKBODQNOD-UHFFFAOYSA-N 379.382 2.873 0 40 GFAB CCC(CC)c1nnc(NC(=O)Cc2csc(N3CCCNC3=O)n2)s1 58289752 LWPRXJIADZRMAA-UHFFFAOYSA-N 394.526 2.999 0 40 GFAB NC(=O)N1CCC(C(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 64313329 OPDYHWSMSGESFH-UHFFFAOYSA-N 380.286 2.735 0 40 GFAB O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)n1 71003312 HXYJXEDVIPJLLX-CQSZACIVSA-N 380.452 2.630 0 40 GFAB COc1cccc(-c2cncc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)c1 72359390 DWCPWWBYZPUUOW-SFHVURJKSA-N 380.492 2.954 0 40 GFAB CO[C@@H](C)c1noc(CCC(=O)NCC(=O)Nc2cccc3ccccc23)n1 79016263 CJKLEUBQDXMBCL-ZDUSSCGKSA-N 382.420 2.618 0 40 GFAB Cc1cc(=O)c(OCc2ccccc2Cl)cn1CC(=O)Nc1cnn(C)c1 79502131 BWXPTKCIAOXOME-UHFFFAOYSA-N 386.839 2.761 0 40 GFAB CN(Cc1nc2ccccc2n1C)C(=O)[C@@H](c1ccccc1F)N1CCOCC1 89749673 YEXKCKDRVCKSAQ-OAQYLSRUSA-N 396.466 2.744 0 40 GFAB Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1 95837048 HWGQMRYQVZSGDQ-JKSUJKDBSA-N 380.358 2.629 0 40 GFAB in-vitro COc1ccc(OC)c(CN(CCO)Cc2noc(Cc3ccccc3)n2)c1 95957586 PPZOVCPOFOJHTR-UHFFFAOYSA-N 383.448 2.672 0 40 GFAB CN(C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 95959636 RYHUPHFWRMESRV-MRXNPFEDSA-N 387.505 2.511 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 96013994 XRAXHXIJSUSRBV-OWCLPIDISA-N 388.464 2.720 0 40 GFAB Cn1nc(-c2ccccc2NC(=O)/C=C/c2ccc3c(c2)OCO3)ccc1=O 96025121 YWOCMNQMNGEQSD-JXMROGBWSA-N 375.384 2.828 0 40 GFAB CN(C)CCNC(=O)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96154847 XMLCMLUOIZEXAM-UHFFFAOYSA-N 392.488 2.811 0 40 GFAB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccccc3C(C)=C[C@H]21 103462150 KBFDNAPGBWEVPX-NCXUSEDFSA-N 396.487 2.524 0 40 GFAB COc1cc(CN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OCC(N)=O 195538917 VAJGJYLFDPVDEK-DAESXHAQSA-N 376.497 2.872 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218061957 ZBFDNCIXENKZHR-RYRKJORJSA-N 380.849 2.997 0 40 GFAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)cc(=O)o1 218940597 XSYOBAUTOJVXTA-ZDUSSCGKSA-N 383.853 2.752 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)s1 222665666 KNQXBFSWBJIEHH-GFCCVEGCSA-N 396.538 2.921 0 40 GFAB CSc1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222921861 JBFYOIQNHGTKFS-UHFFFAOYSA-N 382.482 2.948 0 40 GFAB COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 223075918 QJUGKRMVENSCAH-UHFFFAOYSA-N 382.869 2.749 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1OC 223203621 KWFRLOYKISQDHX-ZDUSSCGKSA-N 388.489 2.583 0 40 GFAB Cc1cccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1C 223701533 JLBYKRBJMPJRBX-UHFFFAOYSA-N 378.469 2.567 0 40 GFAB CCCSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)s1 223872207 NFQOCWKJYCQGRX-UHFFFAOYSA-N 386.524 2.972 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225485081 ZOASWQLRSDSMAU-JCKWVBRZSA-N 380.485 2.531 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1 225771452 YZHIMUOTAPQPBS-UHFFFAOYSA-N 380.857 2.773 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@H](O)COC[C@H]1C[C@H]3CC[C@H]1C3)CC2 245228714 CYWXNJFSKDHIKG-FEHORTKBSA-N 375.509 2.876 0 40 GFAB biogenic CC(=O)NCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@@H]2Cc1ccccc1 257208207 BLDQNEHAYRORIH-HVJVJISESA-N 383.536 2.598 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1Cl 257213361 CHGBNUIHCDOZLN-APWZRJJASA-N 387.867 2.587 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1C 409016957 BUELMYKSCYMDFI-GZTJUZNOSA-N 379.416 2.843 0 40 GFAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 509351144 OSXHLYGBKLLUNH-OAQYLSRUSA-N 392.463 2.529 0 40 GFAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cc3nc[nH]c3cc2F)CC1 574805659 HNKLYKKJKZXREB-UHFFFAOYSA-N 380.423 2.871 0 40 GFAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2cn(C(C)C)cn2)c2cccs2)n1 575611812 XPQOSFUZSYXPMQ-OAHLLOKOSA-N 393.538 2.907 0 40 GFAB CC1(C)CN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@@H](C(F)(F)F)O1 575761332 NNCVSVYIEVTFLR-ZDUSSCGKSA-N 383.374 2.900 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3cc(C)nc(C)n3)C2)c1 585081254 SVMFWUFYRDIKNU-SFHVURJKSA-N 380.492 2.879 0 40 GFAB C[C@H](C(=O)NCc1ccc(Br)cc1)n1nc(C2CC2)ccc1=O 585411202 CQAJKFIGTWMDFT-LLVKDONJSA-N 376.254 2.761 0 40 GFAB COc1ccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1OC(F)F 623000938 SASGWDXODSZLJM-AWEZNQCLSA-N 397.399 2.696 0 40 GFAB Cc1cc(C2(C(=O)Nc3ccc(OCC(=O)O)c(Cl)c3)CCOCC2)on1 630148905 QRPBIZDCKATXCW-UHFFFAOYSA-N 394.811 2.787 0 40 GFAB CN1CCN(Cc2cccc(NC(=O)c3cn(C)nc3-c3ccco3)c2)CC1 667138529 KVRBHNRBMYFSAN-UHFFFAOYSA-N 379.464 2.680 0 40 GFAB Cc1ccncc1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 668099660 QCOHGAQHACQWFX-UHFFFAOYSA-N 379.869 2.765 0 40 GFAB COc1cc(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)c2ccccc2n1 668178857 HEKQFUCCKUVBGL-UHFFFAOYSA-N 380.448 2.806 0 40 GFAB C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccc(OCC(F)(F)F)nc1)C[C@@H](C)O2 684114843 OBGMTQLLKFHAKM-WQGACYEGSA-N 389.374 2.823 0 40 GFAB C[C@H](C(=O)N1CCc2ccnc(N)c2C1)N1CCC(Cc2ccccc2)CC1 1170257779 NVWQHXPXRCCVCL-QGZVFWFLSA-N 378.520 2.892 0 40 GFAB Cc1ccc(CN2CCC[C@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)s1 2055772357 BUAKNJMNWIXDJR-INIZCTEOSA-N 386.443 2.923 0 40 GFAB O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801544 PYLCNFCWIRRMKR-KRWDZBQOSA-N 378.881 2.810 0 40 GFAB Cc1c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2105532 BYZHIYDJQGXYJS-NSHDSACASA-N 383.400 2.858 0 40 GFAB biogenic COc1ccc([C@@H]2NC(N3CCc4ccccc43)=Nc3nc(C)cc(=O)n32)cc1 2236165 NJBOEMAVGHZSAP-HXUWFJFHSA-N 387.443 2.761 0 40 GFAB C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)NC(N)=O 2637773 PDGDYWVPIHOZEI-NSHDSACASA-N 387.490 2.730 0 40 GFAB Cc1sc(NC(=O)[C@H](C)Cn2cc(Br)cn2)c(C(N)=O)c1C 2791106 HAUBBPKNZJXRNJ-SSDOTTSWSA-N 385.287 2.698 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3COc4ccccc4O3)c2C)no1 3497939 SWEIVALEPVNESK-IBGZPJMESA-N 396.399 2.956 0 40 GFAB COc1cc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)cc(OC)c1OC 3549596 WZENWFWEUYOTTF-AWEZNQCLSA-N 393.465 2.562 0 40 GFAB COc1ccccc1CNC(=O)COC(=O)c1ccc(Br)cc1 3619139 XATNYIPNJQNBDG-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB COCCOc1cc(NC(=O)CSCC(=O)N(C)C)c(Cl)cc1Cl 4013203 NISMGJWMATYVQX-UHFFFAOYSA-N 395.308 2.779 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCCc1ccccc1 4328107 KDLZRALGWNOUSE-UHFFFAOYSA-N 390.472 2.637 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N(C)c4ccccc4)cnc32)c(C)c1 4479309 CYDLVRXTXVKDLT-UHFFFAOYSA-N 387.443 2.862 0 40 GFAB CCOc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(C)c2=O)cc1 4853424 CCACDFGCNKQFPX-UHFFFAOYSA-N 395.463 2.700 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885781 HHFWRFGKCJOBML-ISJRUSPKSA-N 392.455 2.685 0 40 GFAB CSc1nc2c(c(=O)[nH]1)[C@H](c1cc(Br)ccc1F)CC(=O)N2 4944255 ITNAGZNGPRSHEE-QMMMGPOBSA-N 384.230 2.868 0 40 GFAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(C)c1 5251823 SRFJNLWVYUKVFA-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB COC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1 5255321 KHFWPFUJEJUJAH-UHFFFAOYSA-N 387.461 2.543 0 40 GFAB CC(C)[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC(N)=O 5890533 BZQVXJCVFKOZOC-KRWDZBQOSA-N 381.388 2.871 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2)cc1 6065751 PFXSKVSKQPHQTD-AWEZNQCLSA-N 390.461 2.557 0 40 GFAB COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1 6570725 VSYYOVKJAOMMQT-UHFFFAOYSA-N 384.505 2.574 0 40 GFAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)Cc2ccco2)cc1 6820794 RJSDJSIYGLXZHK-UHFFFAOYSA-N 385.445 2.813 0 40 GFAB COc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1Cl 6822851 GFSNFCBKXZCBDR-UHFFFAOYSA-N 385.854 2.527 0 40 GFAB Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1S(=O)(=O)N(C)C 7057057 GQTHHUGJYUDRKN-VAWYXSNFSA-N 380.491 2.658 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C(=O)NC(C)(C)C 7522373 KOTLLLWITWCUNX-AWEZNQCLSA-N 399.491 2.973 0 40 GFAB COCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 8486711 AKAKSQGDIARQSE-CTNGQTDRSA-N 389.455 2.791 0 40 GFAB biogenic CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 8600773 NCIRIWUPSCCXCC-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 8707117 AFOXSWIEGCIXJM-NSHDSACASA-N 393.896 2.686 0 40 GFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)ccc21 8735072 KFALITUZIOYZLP-GFCCVEGCSA-N 395.419 2.594 0 40 GFAB Cc1oc2nc(CN(C)CCOc3ccc(Cl)cc3)nc(N)c2c1C(=O)O 8735233 QTMBCMMVNCDFRG-UHFFFAOYSA-N 390.827 2.976 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 8890506 GVEDADVFJKADPK-NRFANRHFSA-N 397.862 2.692 0 40 GFAB COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C2CCCC2)cc1 9509358 SAAOSVDJWOUJOU-UHFFFAOYSA-N 375.450 2.803 0 40 GFAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cccs3)o2)cc1 10253195 OFNFOTVRKNKWNJ-UHFFFAOYSA-N 377.447 2.773 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)OCc3nnnn3Cc3ccccc3)cc2)n1 10538763 OCIRJRMQEAPTOQ-UHFFFAOYSA-N 388.431 2.881 0 40 GFAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1CN1C(=O)CNC1=O 10963357 QKRWRRYCDVFRMU-UHFFFAOYSA-N 391.349 2.687 0 40 GFAB COc1ccc(OC)c([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)c1 11694822 GVYXQJVKXAKNHC-ZNZDAUKMSA-N 393.447 2.954 0 40 GFAB O=C(NCCc1ccccn1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 12651103 ZTDHNKMDJBGCCP-UHFFFAOYSA-N 384.439 2.812 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 12786790 OQFQIYSEMINQAA-AUUYWEPGSA-N 387.480 2.741 0 40 GFAB COC(=O)c1ccc(CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1 12898524 UHAYUTCECMZNCL-INIZCTEOSA-N 389.839 2.543 0 40 GFAB C[C@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2 12924988 XTEXKYWWHMKNFM-JTQLQIEISA-N 376.796 2.616 0 40 GFAB C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(F)cc1F 12929786 VXHDKIJPBGGLDF-NSHDSACASA-N 380.416 2.778 0 40 GFAB CN(CCOc1ccccc1Cl)C(=O)Cn1cnc2ccc(F)cc2c1=O 12981127 MOEFWVWPLOMVDU-UHFFFAOYSA-N 389.814 2.726 0 40 GFAB CCC(CC)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H](C)O 12987092 HKBMCXSJPYVZMS-NSHDSACASA-N 397.928 2.828 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 12987229 JQZXTYBTWRUMBN-OAHLLOKOSA-N 398.488 2.812 0 40 GFAB O=C(NCc1ccccn1)c1cc(-c2cccnc2)c(N2CCOCC2)s1 13267897 XZPBGBKESZFEHD-UHFFFAOYSA-N 380.473 2.972 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 13673163 FPMYHTVCHOUQEX-UHFFFAOYSA-N 376.434 2.931 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1 15359018 BYRWVLZNLPXCJL-SECBINFHSA-N 379.912 2.845 0 40 GFAB CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 17012034 DHRHGKFESOLTBJ-YGRLFVJLSA-N 386.420 2.882 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1 17026539 WMKJSBGPCNDSCR-UHFFFAOYSA-N 383.473 2.506 0 40 GFAB Cc1ccc2cc(CCNC(=O)/C=C\c3ccc4c(c3)OCO4)c(=O)[nH]c2c1 17122348 PUXMFRYUTOHHKE-DAXSKMNVSA-N 376.412 2.937 0 40 GFAB COc1ccc(-c2nnc(Cn3c(S(C)(=O)=O)nc4ccccc43)o2)cc1 18381188 VSTPUMRPSUFWHN-UHFFFAOYSA-N 384.417 2.547 0 40 GFAB Cc1ccnn1CCC(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19238387 DNKLSFNGLWTNGE-UHFFFAOYSA-N 396.491 2.544 0 40 GFAB CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19446846 AHWULOJENQKRJC-SFTDATJTSA-N 398.555 2.757 0 40 GFAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19448293 AOSTXDPQKFNGCS-SFHVURJKSA-N 384.455 2.653 0 40 GFAB CCOC(=O)[C@H]1N(Cc2ccccc2)CC[C@]12CCc1ccccc1C(=O)N2 19530490 ZNRVLMWNZSTLTC-NFBKMPQASA-N 378.472 2.939 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c1 19564272 PXXVCHBSKFPINT-LJQANCHMSA-N 390.443 2.747 0 40 GFAB COC(=O)c1cn(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12 21005358 RHIXWVUGVGKSLI-UHFFFAOYSA-N 391.471 2.772 0 40 GFAB COC(=O)c1cccc(COC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1 21276807 LIAJRVNALMRKRI-RGMRCXJASA-N 385.460 2.992 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1c2ccccc2CC[C@H]1C 22061223 ZNNYEHLCMZOZFQ-QRWLVFNGSA-N 398.459 2.945 0 40 GFAB Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(=O)[nH]1 24541741 FZORPCGBWBECQY-UHFFFAOYSA-N 398.444 2.810 0 40 GFAB C[C@@H](OC(=O)CCCn1c(=O)oc2ccccc21)C(=O)N(C)Cc1ccccc1 25046829 GQJZKAJEWDUTSR-MRXNPFEDSA-N 396.443 2.965 0 40 GFAB CC(=O)Nc1cccc(-n2c(S[C@H]3CCCCNC3=O)nnc2C2CC2)c1 26140231 HYPANSBCLGYZNX-INIZCTEOSA-N 385.493 2.864 0 40 GFAB C[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc2c(c1)OCO2 27686922 VFOSHGIIXFGTRD-LBPRGKRZSA-N 377.400 2.562 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 31810988 WOLUASGIHLJFKF-LBPRGKRZSA-N 379.811 2.975 0 40 GFAB O=C(Nc1ccc(Br)cc1F)[C@@H](c1ccccc1)n1cnnn1 32092460 WGFUXOBGQYDACP-CQSZACIVSA-N 376.189 2.803 0 40 GFAB O=C(NCCc1cn2ccccc2n1)C1CCN(c2ccc(Cl)cn2)CC1 33241326 QXBQOZHCXYGKQE-UHFFFAOYSA-N 383.883 2.958 0 40 GFAB COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)cc1OC 33549031 IQQSFZWRYYZVPW-FQEVSTJZSA-N 384.363 2.670 0 40 GFAB COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)O)cc2)cc1 36293938 QOCWUJXBVZXHJA-KRWDZBQOSA-N 395.502 2.847 0 40 GFAB CS(=O)(=O)Nc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)ccc1F 36709958 ABNMKUCIJGMKQJ-UHFFFAOYSA-N 377.319 2.863 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccs3)CC2)cc1 38946996 YUISUKCJJFCDPP-ROUUACIJSA-N 384.501 2.774 0 40 GFAB CN(Cc1ccco1)C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 48345340 ZXXFJMUFFUJPLA-UHFFFAOYSA-N 396.413 2.864 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)c1 57406594 KPFVHLJVLNDUMB-UHFFFAOYSA-N 382.526 2.590 0 40 GFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)c1 57489908 BJBAHJPGBPTOCI-UHFFFAOYSA-N 397.500 2.971 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)c1ccc(C)o1 57624569 VZBHSHAOJXBMSI-GDBMZVCRSA-N 396.534 2.865 0 40 GFAB CNC(=O)c1ccc(Cl)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl 58416219 KDJBYIHPNXYYJD-UHFFFAOYSA-N 394.262 2.996 0 40 GFAB C[C@H]([C@H](O)c1ccccc1)N(C)CC(=O)Nc1ccc(Br)cn1 66087823 XVWDEHLVPDHPLZ-PXAZEXFGSA-N 378.270 2.837 0 40 GFAB CCOc1ccc(F)c(C(=O)O)c1NS(=O)(=O)c1ccc(OC)c(OC)c1 72301055 LQYDAYYRCLIZKM-UHFFFAOYSA-N 399.396 2.741 0 40 GFAB CCN(CC)[C@@H]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 72303388 GUKPFMBHALTJGQ-OAQYLSRUSA-N 385.552 2.801 0 40 GFAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 72360016 WIDOJXGCHLDAHM-HNNXBMFYSA-N 375.436 2.733 0 40 GFAB CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)Cc3ccccc3F)C[C@@H]12 72395838 TXRVPCFHVFWOFM-GCJKJVERSA-N 380.419 2.554 0 40 GFAB COc1ccccc1-c1nc(Cn2cccc(-c3nc(C4CC4)no3)c2=O)no1 77200491 UKLXTSIUJKQUIO-UHFFFAOYSA-N 391.387 2.883 0 40 GFAB COc1ccc(/C=C/C(=O)N(CCNC(C)=O)Cc2ccccc2)c(OC)c1 78815090 VFOPFNYWFKBMIH-ZRDIBKRKSA-N 382.460 2.882 0 40 GFAB CCCOc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 79061866 VFRIHYOYEILSLT-UHFFFAOYSA-N 393.417 2.746 0 40 GFAB Clc1cc(Cl)cc(-c2nnc3ccc(NCCc4nc[nH]n4)nn23)c1 79106200 JYJAPDGFQXKYMD-UHFFFAOYSA-N 375.223 2.871 0 40 GFAB O=S(=O)(NCCOc1cccc2ccccc12)c1ccc2c(c1)OCCO2 84598631 WVCLJIDZZHLYBW-UHFFFAOYSA-N 385.441 2.968 0 40 GFAB COc1ccc2c(c1)NC1=C(C(=O)OC1)[C@H]2c1cc(OC)c2c(c1)OCCO2 84632669 DNPWAYLPDGCEQM-SFHVURJKSA-N 381.384 2.843 0 40 GFAB C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCCc4cn[nH]c43)cc2)C[C@@H](C)O1 89936695 GOFWVXNPHPCHLP-JXXFODFXSA-N 382.508 2.755 0 40 GFAB Cc1noc(-c2ccc(N3CC[C@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1 90591980 UFRZFUVHRQEZDM-SFHVURJKSA-N 389.459 2.867 0 40 GFAB CN(C)CCNC(=O)Cn1cc(NCc2ccc(-c3ccccc3F)o2)cn1 95462158 GLMQNMYRPCTWHX-UHFFFAOYSA-N 385.443 2.572 0 40 GFAB COC(=O)c1nc(NC(=O)c2cnc3sc(C)cn3c2=O)sc1C(C)C 95475206 BADHWQZHIKOFDT-UHFFFAOYSA-N 392.462 2.683 0 40 GFAB CC(C)n1c(CNC(=O)[C@H](C)n2nnc3ccccc3c2=O)nc2ccccc21 95477830 OJLVRDCMYDWBSG-AWEZNQCLSA-N 390.447 2.600 0 40 GFAB C[C@@H](NC1(CNC(=O)NCCc2nccs2)CCOCC1)c1ccccc1 95959344 IKAPPQBLMAXJJE-MRXNPFEDSA-N 388.537 2.885 0 40 GFAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O 96036501 WKLXQKGAHMHYFN-JOCHJYFZSA-N 387.499 2.509 0 40 GFAB CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cccs1)CC2 96036946 KGNWUGBJQFWLNC-UHFFFAOYSA-N 382.537 2.782 0 40 GFAB COCCCNC(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96037996 KSCWMTMFPVJBLQ-UHFFFAOYSA-N 375.432 2.953 0 40 GFAB COc1cccc(C(=O)N2C[C@@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)c1 96241040 XDOFZPNGVMDEOB-IBGZPJMESA-N 395.459 2.598 0 40 GFAB CN(C)C(=O)[C@]12CCCN(C(=O)c3cccs3)C[C@H]1CN(c1ccccn1)C2 96251248 PAUFMCKXZYNDMV-KKSFZXQISA-N 398.532 2.590 0 40 GFAB COCCO[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1ccccc1 96261296 WLJWGMIJDQWJBC-DLBZAZTESA-N 381.519 2.785 0 40 GFAB CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCc3c(Cl)cccc32)s1 98033815 TYRHPEIMGUUNNV-AWEZNQCLSA-N 399.925 2.796 0 40 GFAB O=C(NCc1ccccc1)N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 98212954 JGQDBCMLXNIECU-GOSISDBHSA-N 377.448 2.810 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2cccc(OC)c2)cn1 100112472 WRTFQXUTIKXDAQ-CLCXKQKWSA-N 391.493 2.532 0 40 GFAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1C[C@@H]1CCCO1)Nc1ccccc1F 101113814 LVJHOPHLMGBOCF-LRSRPGHXSA-N 382.395 2.781 0 40 GFAB C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc(C(F)(F)F)c1 102898037 OOUAAMBIIJSCJA-CFXSOUKZSA-N 392.377 2.690 0 40 GFAB CCOC(=O)[C@H]1C[C@@]2(C)[C@H](O)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 212415885 ZJRZYKZLCWIHRO-SOAMZJECSA-N 395.521 2.631 0 40 GFAB COc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(OC)c3)no2)c1 219307700 DLJISZIZGCVVRD-ZDUSSCGKSA-N 383.404 2.838 0 40 GFAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224634098 XYUZOSXZNKPWLZ-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB CCC[C@H](C)NC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225210705 VUCAWGIJRZMCAX-ZDUSSCGKSA-N 385.555 2.955 0 40 GFAB FC(F)(F)c1cc(N2CCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225909864 JIFXXZRCWNDKQL-JTQLQIEISA-N 375.420 2.561 0 40 GFAB CN(C)CCCN1CNC2=N[C@H]([C@@H]3CC=CCC3)n3c(nc4ccccc43)N2C1 226313280 ORVHXKLXMVAFGK-XLIONFOSSA-N 393.539 2.839 0 40 GFAB COc1cccc(OC)c1OCC(=O)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257213385 CHIOGDSZDBKNHL-NJAFHUGGSA-N 398.459 2.794 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)N1CCCC1 257214813 CNNJSHKPPBGSLB-GOSISDBHSA-N 384.524 2.764 0 40 GFAB COc1ccccc1[C@H]1CN(C(=O)c2cccc(-c3cncnc3)n2)CCN1C 257255165 KGJRJKWVGRNGKB-HXUWFJFHSA-N 389.459 2.676 0 40 GFAB Cc1c(C(=O)O)cccc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C 287339316 WPIYARZDMRFBNA-YJBOKZPZSA-N 388.489 2.635 0 40 GFAB CN1CCN(C(=O)c2ccncc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306134398 NLWFYZRMKGQQKX-OAQYLSRUSA-N 398.470 2.920 0 40 GFAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccsc1)C2 306134850 NZQUXYWOUUZYOM-CQSZACIVSA-N 375.469 2.898 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CCCCC1 408590727 KRAFIQDRNZJOBS-UHFFFAOYSA-N 380.510 2.561 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc2c(c1)CCO2 575611073 UMPVXYHXVYKWHH-HNNXBMFYSA-N 391.470 2.955 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCn2cc(-c3ccco3)cn2)cc1F 575614749 FENASQKOKYMZIN-UHFFFAOYSA-N 379.413 2.659 0 40 GFAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)Cc3ccccc32)cn1 575617997 CXRHLSLLZXDSJT-FQEVSTJZSA-N 395.484 2.691 0 40 GFAB Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3nccs3)C[C@H]12 585109624 GCDJUUXESYSRDA-TXPKVOOTSA-N 379.489 2.577 0 40 GFAB COC(=O)c1cc(NC(=O)NCCCNC(=O)c2ccccc2)c(C)s1 603030386 DQMXQIBHCKIOHY-UHFFFAOYSA-N 375.450 2.785 0 40 GFAB COc1ccc(-c2cnn3c(N)c(S(=O)(=O)c4ccc(C)cc4)nnc23)cc1 618257487 XNJVPVHTFQLGTC-UHFFFAOYSA-N 395.444 2.523 0 40 GFAB CO[C@H](C(=O)Nc1ncc(C(F)(F)F)cc1Br)[C@@H]1CCOC1 622859366 UFXBFYDLYGSPKR-XCBNKYQSSA-N 383.164 2.853 0 40 GFAB O=S(=O)(c1cccc2c1OCC2)N1CCC[C@@H](c2ncc3n2CCCC3)C1 643213396 GXGDKRXQKGKUCT-MRXNPFEDSA-N 387.505 2.723 0 40 GFAB CN1CC[C@@H](NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1=O 646023313 RFRXYKAKOWUPHC-GFCCVEGCSA-N 375.469 2.964 0 40 GFAB O=C(c1cc2c(OC(F)(F)F)cccc2[nH]1)N1CC[C@@H](CN2CCOCC2)C1 1252135022 XXYSEGZISVRKNI-ZDUSSCGKSA-N 397.397 2.861 0 40 GFAB Cc1cc(C(F)(F)F)nc(N[C@]23CC[C@H]2CN(C(=O)c2cccn2C)C3)n1 1614423278 ZITQHDDYBJWOQQ-SJCJKPOMSA-N 379.386 2.859 0 40 GFAB c1cc(-c2ccc(N3CCN(Cc4nc5c(s4)CCC5)CC3)nn2)ccn1 1775974248 DQTXHRFDVFCIGB-UHFFFAOYSA-N 378.505 2.806 0 40 GFAB Cn1cc(-c2cncc(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)n2)cn1 2087143838 JRLPULSHMLXSGJ-UHFFFAOYSA-N 389.385 2.618 0 40 GFAB Cc1cc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n2nccc2n1 2298071699 HAIBQBRUJNDCMZ-UHFFFAOYSA-N 393.495 2.744 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(F)cc1F)CC(O)=N2 71282493 FUAPLDZRVVXTDQ-DGCLKSJQSA-N 381.404 2.953 0 40 GFAB O=C(N[C@H]1CON=C1NCCc1c[nH]c2ccccc12)OCc1ccccc1 988685 KAIYSJQPZKTJIW-IBGZPJMESA-N 378.432 2.939 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)cc2)cc1OC 932329 ICMBKVPTHHJTGY-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB COc1cc2c3cnn(CN(C)Cc4ccccc4)c(=O)c3n(C)c2cc1OC 79481196 TXZYMKPIXZTKDA-UHFFFAOYSA-N 392.459 2.995 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1OC 23746033 PSSRVFXSGFTDPU-UHFFFAOYSA-N 376.796 2.721 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 4835749 VFSRPMLPLSACKA-NSHDSACASA-N 387.490 2.932 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 4839583 AUGZOUJQVWNXSB-UHFFFAOYSA-N 376.815 2.985 0 40 GFAB Cc1ccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)n2)cc1 24752823 XRWLJOOQTWYPIL-ZDUSSCGKSA-N 384.461 2.644 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccc(Cl)c(Cl)c1 4937762 JNBMHNFTIAROAV-UHFFFAOYSA-N 391.276 2.664 0 40 GFAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6325774 PHJNSGLQWYRZEL-UHFFFAOYSA-N 382.526 2.839 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1Br 24991622 UAVGTAXWHOHQCG-AWEZNQCLSA-N 389.315 2.900 0 40 GFAB CCOc1c(Cl)cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1Cl 6958037 FZUQKVCXDSWHKC-WDZFZDKYSA-N 389.260 2.623 0 40 GFAB CCN(C(=O)[C@@H](C)Sc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 12537859 UTUCXCQLGVICGB-UKRRQHHQSA-N 378.519 2.751 0 40 GFAB CC(C)[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc2c(c1)OCCO2 26382933 NOPWPXWAUHQABO-DCPHZVHLSA-N 390.505 2.725 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 26519873 VNNJMDIEDBUPCQ-IBGZPJMESA-N 395.459 2.561 0 40 GFAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492482 QCKRCQHLZSWBAF-CQSZACIVSA-N 385.489 2.745 0 40 GFAB CCCCN(C)C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490410 BTYJAUZLIUGVPQ-UHFFFAOYSA-N 389.452 2.612 0 40 GFAB Cc1cc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)n(C)c(=O)c2[nH]1 57521483 QIAMXPQTCGURJG-ZDUSSCGKSA-N 384.505 2.800 0 40 GFAB CCCN(CCC)C(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506828 IPEIXKKVJNHIQP-UHFFFAOYSA-N 395.554 2.664 0 40 GFAB CC(C)[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 57741140 CAZLUTCBUPDGFM-HXUWFJFHSA-N 389.459 2.866 0 40 GFAB O=C1Cc2cc(NC(=O)N3CCC(NC(=O)c4cccs4)CC3)ccc2N1 95959538 RUSXGSBNPMIDEY-UHFFFAOYSA-N 384.461 2.669 0 40 GFAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(Cc2nc(C)c(C)o2)CC1 58218340 MJJUKCVGCXBCKA-SFHVURJKSA-N 377.872 2.977 0 40 GFAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NCc1cccc(OC)c1 44901907 FAKSKKDUZZYYOB-UHFFFAOYSA-N 375.855 2.675 0 40 GFAB Cc1noc(C)c1Cn1c(CN2CCOCC2)nc2sc(C)c(C)c2c1=O 12769162 XYMIMLIAGAFWGC-UHFFFAOYSA-N 388.493 2.560 0 40 GFAB COc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cn1 10991738 OBTVOHDZLCLYOA-HXUWFJFHSA-N 375.428 2.878 0 40 GFAB Cc1cccc(C(=O)NCCC(=O)N2CCN(CCc3ccccc3)CC2)c1 21973117 REMKWRJSHKVIQB-UHFFFAOYSA-N 379.504 2.502 0 40 GFAB COCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc21 2619606 LNNONQLXNXOIOM-UHFFFAOYSA-N 398.488 2.801 0 40 GFAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635639 NHZDRNCLNCPNKO-OAHLLOKOSA-N 394.479 2.676 0 40 GFAB CSc1ccc(N2C[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)cc1 13014718 WTXOEDKNCMNTPW-GOEBONIOSA-N 398.484 2.718 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccc(F)cc4Cl)[C@H]3C2=O)cc1 4483420 PRSJIFVAKDZPGC-HZPDHXFCSA-N 388.786 2.981 0 40 GFAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccc(Cl)cc1 5452423 DYPFNMVCAGAAMN-UHFFFAOYSA-N 397.866 2.926 0 40 GFAB CC[C@@H](C)c1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C 6586516 FFRLYMOMICCKIF-CYBMUJFWSA-N 392.525 2.902 0 40 GFAB CC(C)[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2[nH]1 6657467 YAGWHULRRQDJPP-INIZCTEOSA-N 381.461 2.848 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nncn1-c1ccccc1)OCO2 4835271 QLTYMAXQPGLBCR-UHFFFAOYSA-N 396.428 2.929 0 40 GFAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NC[C@H]1COc2ccccc2O1 6879949 CZNNFDWVUSYTGA-AWEZNQCLSA-N 382.445 2.520 0 40 GFAB O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 4998503 YKMRNMHCPVXIQJ-FQEVSTJZSA-N 389.411 2.790 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnc(C4CC4)o3)ccc21 7289897 VLXCMLPCTLPJLU-UHFFFAOYSA-N 393.490 2.634 0 40 GFAB O=C(O)/C=C/C(=O)Nc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O)c1 7986523 DBUACDAJDYERID-MDZDMXLPSA-N 377.356 2.817 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1C 69175645 ZYZFASCDBURDED-GOSISDBHSA-N 395.459 2.736 0 40 GFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc3ccccc3o2)C1=O 8314540 XTVBYNHWAGLFEU-HXUWFJFHSA-N 379.372 2.566 0 40 GFAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136131 PKEFCOQSQMZDRD-VGSWGCGISA-N 396.491 2.925 0 40 GFAB CN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CCS(=O)(=O)C1 8429824 ZRJMEDYKFMIKNH-LLVKDONJSA-N 376.459 2.815 0 40 GFAB Cc1c(CC(=O)NCCc2c[nH]c3ccccc23)c(=O)oc2cc(O)cc(O)c12 8490555 YRVWJGPYVDDHIR-UHFFFAOYSA-N 392.411 2.895 0 40 GFAB biogenic CC(C)NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 17296287 BHASSZJIYKULFV-UHFFFAOYSA-N 385.489 2.827 0 40 GFAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCC(=O)N3CCCC3)cc12 9678020 MZZUTOWMLROPNH-UHFFFAOYSA-N 382.489 2.807 0 40 GFAB CN(Cc1ccccc1)Cc1cc(CC2(NCc3cccnc3)COC2)no1 67898127 BYRKSFRYFNGICA-UHFFFAOYSA-N 378.476 2.803 0 40 GFAB biogenic,in-vitro COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(F)c1 8768745 LFWPACMWGGTUBZ-QGZVFWFLSA-N 380.383 2.748 0 40 GFAB O=C(CN1CCN([C@@H]2CC[C@H]3SCCS[C@@H]32)CC1)Nc1ccc(F)cc1 97165327 FUPLTKWTKGAMQE-ZHALLVOQSA-N 395.569 2.761 0 40 GFAB NC(=O)N[C@@H](CC(=O)N1CCC(CCCN2CCCC2)CC1)c1ccccc1 89826114 TWSRWLMCRWYSNB-FQEVSTJZSA-N 386.540 2.901 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O 23656578 NGGWRSBVILSCAI-UHFFFAOYSA-N 386.221 2.637 0 40 GFAB CN(C)c1ccc(NC(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)cc1 408975758 MUCZBGBOLAUWGG-UHFFFAOYSA-N 387.399 2.596 0 40 GFAB O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1nc(=O)c2ccccc2[nH]1 521169018 HFWMLGQLVAIMSV-ZDUSSCGKSA-N 398.413 2.596 0 40 GFAB CCOc1ccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219429299 XSQXTHIJBYKOOA-UHFFFAOYSA-N 388.445 2.649 0 40 GFAB CN1C(=O)S[C@@H](CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)C1=O 72396262 RDFUQPGUAKTZPG-RDJZCZTQSA-N 398.488 2.509 0 40 GFAB Cc1ccc(CCC(=O)NC[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1 559434371 LGZPZVKZHSPRGT-SFHVURJKSA-N 382.508 2.641 0 40 GFAB COCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)CC1 72340114 SVBYQAPYGWRELC-UHFFFAOYSA-N 383.452 2.777 0 40 GFAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 72384315 HOLTVJGKHZKCFW-HNNXBMFYSA-N 378.436 2.726 0 40 GFAB CCOc1cc(C(N)=O)cc(I)c1OCc1cccnc1 226321341 LQGFIFKAAKPOTQ-UHFFFAOYSA-N 398.200 2.763 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(C(C)(C)C)cc2)C1 223656883 WHHHWYPTNNLADJ-MRXNPFEDSA-N 396.553 2.541 0 40 GFAB O=C(Cc1noc(C(=O)NCc2ccccc2)n1)Nc1ccc2cc[nH]c2c1 40282792 NBCVQGLVEYLIHB-UHFFFAOYSA-N 375.388 2.662 0 40 GFAB O=C(C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccc(F)cc1 581881799 LSHQAFHFOTWLAW-QGZVFWFLSA-N 390.480 2.933 0 40 GFAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc3c(c2)OCO3)s1 95478076 NJPNLMIUUWJJTQ-XHDPSFHLSA-N 388.449 2.548 0 40 GFAB CN(C)C(=O)CNC(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96088254 LOTGNGKUYLYLBY-UHFFFAOYSA-N 387.443 2.610 0 40 GFAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(F)cc3)C1=O)CC2 96305306 REHCHAJLVUNCSP-KRWDZBQOSA-N 384.407 2.533 0 40 GFAB CC(C)(C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc2c(c1)OCO2 583359291 IMMIDGUGLFGKOM-UHFFFAOYSA-N 398.463 2.587 0 40 GFAB Cc1cccc(Cl)c1N1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 585083456 JWMKQURSADFKSA-INIZCTEOSA-N 387.915 2.726 0 40 GFAB Cc1nccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccc(F)cc2)CO3)n1 257209760 BRTYXOVYWXQRLV-GOSISDBHSA-N 384.455 2.824 0 40 GFAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c1 257288899 PWDHTIMMFYPRMM-LJQANCHMSA-N 394.519 2.751 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H](c2nc(C)c(CC(N)=O)c(C)n2)C1 257277250 NXBOYIFSEKLGBF-INIZCTEOSA-N 396.491 2.540 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)s1 257311199 UIIYKAGAYSWXGW-BBRMVZONSA-N 391.468 2.684 0 40 GFAB CCn1cc(-c2n[nH]cc2C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)cn1 634273729 ACSFHXDAGNASND-SFHVURJKSA-N 378.480 2.606 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104303 AFFKRJOSWVGOOJ-UHFFFAOYSA-N 391.449 2.576 0 40 GFAB Cc1cc(C(=O)N[C@H](C)C(=O)N2CCCCC2)c2nc3n(c2n1)CCCCC3 57224570 NIXHNKDLZLZHGB-OAHLLOKOSA-N 383.496 2.597 0 40 GFAB CCCn1cc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615118112 AMHMCMLIQNFYFD-NRFANRHFSA-N 386.471 2.830 0 40 GFAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(CC2=Cc4ccccc4OC2)CC3)C1 12183133 BWJHSXLTUNWNNR-INIZCTEOSA-N 392.503 2.840 0 40 GFAB COc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)nc(C)n1 12223912 AKUXWMWRQQINSR-UHFFFAOYSA-N 391.859 2.810 0 40 GFAB O=C1C[C@@H](C(=O)NCc2ccccc2)n2nc(SCc3ccccc3)nc2N1 14164639 DYHKCQFGHPMXDF-INIZCTEOSA-N 393.472 2.770 0 40 GFAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 16400703 LIDSEOMPQVSDKR-MRXNPFEDSA-N 381.310 2.704 0 40 GFAB Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)c4cc[nH]n4)CCNC3=O)cc2)c1 19235415 XIFZCSXUEUFKNP-HXUWFJFHSA-N 388.471 2.816 0 40 GFAB C[C@](O)(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19367099 MFDVLMOVSSULIJ-SMIHKQSGSA-N 396.531 2.668 0 40 GFAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 19371597 MVCGPTKTIMCOBS-SFHVURJKSA-N 386.565 2.803 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)n[nH]3)ncc2C1 19451849 LBBJWFRDGRPOMX-IBGZPJMESA-N 396.495 2.595 0 40 GFAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1OC 19561202 RUDDOYFGAWEYDH-QHAWAJNXSA-N 382.504 2.566 0 40 GFAB CC(C)Oc1cc(CCC(=O)N2CCC[C@@H]2c2cc(CN(C)C)n[nH]2)on1 19709002 GMLNWAKYTMVOPD-QGZVFWFLSA-N 375.473 2.543 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nnnn2C)c2ccccc2)cc1 19926758 DVQCQJITYFQIMS-INIZCTEOSA-N 397.460 2.859 0 40 GFAB CC(=O)NC1CCC(N(C)C(=O)c2nn(C(C)(C)C)cc2Br)CC1 613469538 XAHBFLQVPFKXFW-UHFFFAOYSA-N 399.333 2.920 0 40 GFAB CS(=O)(=O)N1CCC(c2nc3ccc(F)cn3c2NC2CCCC2)CC1 12127939 NDGLKNCBAAWNQT-UHFFFAOYSA-N 380.489 2.967 0 40 GFAB CN1[C@H]2CC[C@H]1c1sc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)nc1C2 247720557 ADQMXKMKPCQSDR-NOLJZWGESA-N 388.537 2.954 0 40 GFAB CN1[C@H]2CC[C@H]1c1cnc(N3CCN(Cc4cccc(F)c4F)CC3)nc1C2 247721552 AWOSJCBYVFDVIB-KXBFYZLASA-N 385.462 2.768 0 40 GFAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NCc1ccc2c(c1)OCO2 3317873 ZSPNKQMDZAMGNW-UHFFFAOYSA-N 383.187 2.590 0 40 GFAB O=C(COc1ncnc2sc3c(c12)CCCC3)NC(=O)NCc1ccco1 3366276 QYFMWSBTIWWEAV-UHFFFAOYSA-N 386.433 2.568 0 40 GFAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6881573 ZOCOYKWEYBIYHK-UHFFFAOYSA-N 398.484 2.899 0 40 GFAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2ncc(C(F)(F)F)cc2F)CN(C)C1=O 1888850401 KNXWLWGBYTUNQZ-SGPKTVCVSA-N 387.377 2.987 0 40 GFAB COc1cccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037988697 FGEGQGOADNEKQD-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB c1cc(-c2ccnc(N3CCN(c4nc5cnccc5s4)CC3)n2)ccn1 2087047209 REVSIVZJDQQAPH-UHFFFAOYSA-N 375.461 2.870 0 40 GFAB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1c(F)cccc1F 4224354 VQBRUGZIUYMYBT-UHFFFAOYSA-N 389.383 2.831 0 40 GFAB CC(C)CCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 4272342 NKTODLSAOQRNEA-UHFFFAOYSA-N 383.492 2.999 0 40 GFAB COc1ccc(NC(=O)C[C@H](NCCC2=CCCCC2)C(=O)O)c(OC)c1 4280205 MNGXEXVPDFSRML-KRWDZBQOSA-N 376.453 2.966 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1 9626978 CGAHJXXDTLYHSK-UHFFFAOYSA-N 397.456 2.737 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1cccn1C)N1CCCC1 11846969 BMHNGZWQSHZYGT-INIZCTEOSA-N 397.928 2.803 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@@H]1c1cccc(O)c1 12322710 MUKJLNWORSSMNN-FQEVSTJZSA-N 379.416 2.983 0 40 GFAB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23106168 RDXRYPVPNJHFFD-KRWDZBQOSA-N 388.439 2.646 0 40 GFAB COCc1cn([C@@H]2CCN(C(=O)c3cc(Br)ccc3Cl)C2)nn1 585149679 LLUQNJVRRKBEPE-GFCCVEGCSA-N 399.676 2.928 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NC[C@@H]2CCCO2)c1-c1ccccc1 5300076 SJBZCKYGLNLFPN-HNNXBMFYSA-N 384.432 2.645 0 40 GFAB CNC(=O)c1ccc(/C=C/C(=O)NCCCN2CCc3ccccc3C2)cc1 32401429 YQVWLPNCLGFPBC-FMIVXFBMSA-N 377.488 2.624 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)N2CCCc3c(F)cc(F)cc32)cc1 32598217 BOSNMWORHGNCSH-UHFFFAOYSA-N 383.372 2.570 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2O)N2CCOCC2)cc1 32721198 UUFSEFIZXAVCOX-GOSISDBHSA-N 390.867 2.858 0 40 GFAB CCNS(=O)(=O)c1ccc(/C=C/C(=O)NCC2(c3ccccc3)CC2)cc1 32920845 OGDBBTDOHVHFER-JLHYYAGUSA-N 384.501 2.846 0 40 GFAB CCCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)N(C)C1=S 687310 SSWXIUVMXCNSRF-WZUFQYTHSA-N 383.267 2.988 0 40 GFAB CCn1ncc(Cn2nc(C)c(NC(=O)Cc3ccccc3C(=O)O)c2C)c1C 71281269 YFSORJWBGATTBY-UHFFFAOYSA-N 395.463 2.952 0 40 GFAB CCOc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(c4cccs4)NN32)cc1 940764 YJSXKWWZWHQWFN-MRXNPFEDSA-N 381.461 2.584 0 40 GFAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(CCOc2ccccc2)CC1 12541257 VSTOVJUHXUTQMF-UHFFFAOYSA-N 376.460 2.914 0 40 GFAB CCN(CC)C(=O)CSc1nnc(COc2cccc(OC)c2)n1CC 929229 KRGMDRIAJAVABY-UHFFFAOYSA-N 378.498 2.846 0 40 GFAB O=C(NCCN1CCc2sccc2C1)NC[C@H]1CCN(c2ccccc2)C1 54687122 DFBGJCQNBFRRST-QGZVFWFLSA-N 384.549 2.932 0 40 GFAB CCOC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2C)nc1C 4879469 BEYHJEIISVYDLS-UHFFFAOYSA-N 383.499 2.611 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN12 6344042 GMTQUPLCNPNNBD-YRXWBPOGSA-N 378.403 2.661 0 40 GFAB NS(=O)(=O)c1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1 6997118 YMGHSZXAMAXQFT-UHFFFAOYSA-N 399.856 2.917 0 40 GFAB O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1(c2ccccc2)CC1 26114618 GOFINSSACJTQRS-UHFFFAOYSA-N 390.530 2.749 0 40 GFAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CCOCC1 26225147 QTEBZJPWSDHLQX-LBPRGKRZSA-N 378.523 2.605 0 40 GFAB O=C(CCNC(=O)Cc1ccccc1)NCc1ccc(N2CCCCCC2)nc1 48252416 VAKKWGFTOXCSPQ-UHFFFAOYSA-N 394.519 2.827 0 40 GFAB CC(=O)[C@H]1[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N21 9422172 IDRVIQXMNRIGPG-VXNCWWDNSA-N 389.455 2.808 0 40 GFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC1(c2ccccc2C)CCOCC1 58209775 FWDGAUCTUFMVAZ-IAGOWNOFSA-N 375.513 2.646 0 40 GFAB COc1ccc(CCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 108667404 ZKCHMFGAQSGCTM-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 10512347 WGCBHDSTOOWQDX-UHFFFAOYSA-N 394.499 2.863 0 40 GFAB Cc1cc(O)c(-c2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)c(=O)o1 102273491 DHKZFFCEAWLAQI-UHFFFAOYSA-N 388.383 2.647 0 40 GFAB C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)c2)C1=O 100731076 QEISVLGGPLUDCX-OXQOHEQNSA-N 391.471 2.715 0 40 GFAB C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CC1 12890516 DWSQRJUTLJYCFN-CYBMUJFWSA-N 394.518 2.867 0 40 GFAB CCN1C(=O)[C@](O)(CC(=O)c2cccc(N)c2)c2cc(Br)ccc21 2433830 GZRXMEOLMCHADE-SFHVURJKSA-N 389.249 2.858 0 40 GFAB COc1cc(C)ccc1OCC(=O)NS(=O)(=O)c1ccc(Cl)s1 60496798 JTOMALIELHWUTQ-UHFFFAOYSA-N 375.855 2.602 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2660837 VMKWZQRGPWJXLR-UHFFFAOYSA-N 390.461 2.756 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(F)cc1 3592570 OTJRQWKOIAVHHJ-PEBXRYMYSA-N 395.434 2.787 0 40 GFAB CC(C)c1ccc(CN2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@H]3C2)cc1 306140557 UXELOJHQQSGGEJ-MJGOQNOKSA-N 379.508 2.913 0 40 GFAB COC(=O)CNC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 6090863 MOQYCAIZIGNNCU-UHFFFAOYSA-N 397.865 2.986 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NC1CCCCCC1)O2 64988609 PXCHMTLGLRWQRB-GOSISDBHSA-N 380.510 2.751 0 40 GFAB C[C@@H](C(=O)N1CCCCC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 14165913 XVUGYTPYCKUJNA-ZDUSSCGKSA-N 387.402 2.857 0 40 GFAB CCc1sc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)cc2)cc1C 6432892 PPNOTNMJXUSYJK-UHFFFAOYSA-N 378.425 2.670 0 40 GFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)c2nccn2C)c1 6467678 XFRMUIFYASLOAD-CQSZACIVSA-N 381.457 2.791 0 40 GFAB COc1cccc(N2C(=O)[C@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)c1 4761284 OGCFMMWEEXBGBE-MRXNPFEDSA-N 384.457 2.771 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 4863148 XIKVBMYVPJXHPI-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB CCC[C@@H](C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4998885 NNYNYQMYUBLPOA-MJGOQNOKSA-N 399.535 2.891 0 40 GFAB Cc1cc(SCC(=O)Nc2cccc(Br)c2)n2ncnc2n1 19852965 BSMKYMPZOZDYHP-UHFFFAOYSA-N 378.255 2.926 0 40 GFAB CC(C)OC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 61722052 BQNRITJRXFLGBP-UHFFFAOYSA-N 383.448 2.716 0 40 GFAB CN(C)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Br 8202342 VKGJYKUKYRPMDT-UHFFFAOYSA-N 389.315 2.762 0 40 GFAB O=C(Nn1c(S)nc2ccccc2c1=O)c1cccc(Br)c1 17076904 BGMKCZNBUGRXFE-UHFFFAOYSA-N 376.235 2.832 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[C@H]1c1ccccc1F 69574007 XKXXUWNIVBDHOF-GJZGRUSLSA-N 391.420 2.596 0 40 GFAB CC(C)N1C[C@@]2(CCN(Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O 306125200 CJAYXMIBSWRJLX-FQEVSTJZSA-N 387.505 2.518 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cnn(C[C@@H]2CCCO2)c1 71998522 FNEPTZRVMUHPDV-ZDUSSCGKSA-N 397.262 2.737 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cccc2nsnc12 19077556 MSWXYBNBPGDTGD-UHFFFAOYSA-N 389.868 2.854 0 40 GFAB CS(=O)(=O)C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccccc1 83984507 LCSNFOYBPPSVSY-GOEBONIOSA-N 381.544 2.981 0 40 GFAB C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)NC[C@H]1CCCO1 8920377 XDRZZEMJKUQMAS-FUHWJXTLSA-N 382.460 2.679 0 40 GFAB CC[C@](C)(NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)C(=O)OC 95393350 RREPXXMEIFCNCY-YJYMSZOUSA-N 375.494 2.971 0 40 GFAB C[C@@H]1[C@@H](N2CCOCC2)Oc2cc3c(cc2[C@H]1c1ccc2c(c1)OCO2)OCO3 61887438 OFUMSTVCETVCLF-QYDGOFIISA-N 397.427 2.963 0 40 GFAB CCn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c3c(cnc21)C(=O)CCC3 22610576 FJUOHHFOKXRCIZ-UHFFFAOYSA-N 383.835 2.799 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCC(Oc3nncs3)CC2)n[nH]1 670522260 YUAGJWHVSODNNP-UHFFFAOYSA-N 385.449 2.620 0 40 GFAB COc1ccc(-c2[nH]nc3c2COC[C@]32CCN(C(=O)c3ccco3)C2)cc1 306123496 AOXAZBDNQFLUGI-OAQYLSRUSA-N 379.416 2.992 0 40 GFAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)cs1 306133079 MBDMGSQLDIBZHB-HZPDHXFCSA-N 382.445 2.568 0 40 GFAB O=C1CCN(c2ccccc2C(=O)N2CCOc3ccc(Cl)cc3C2)C(=O)N1 1506396865 OPINUFJMVSQOTB-UHFFFAOYSA-N 399.834 2.821 0 40 GFAB Cn1ccc2c1CN(C(=O)c1ccccn1)Cc1cn(Cc3cccnc3)nc1-2 306133334 MIPZHYKPJFGBQU-UHFFFAOYSA-N 384.443 2.883 0 40 GFAB O=C(CCc1cccc(Br)c1)N1CCN(c2ncccn2)CC1 32958701 FSWWZGXCJNLSTG-UHFFFAOYSA-N 375.270 2.521 0 40 GFAB Cc1cc(C(=O)NCc2ccccc2-n2ccnc2C)ccc1NS(C)(=O)=O 216440537 XIKFSNTYEJPWKI-UHFFFAOYSA-N 398.488 2.791 0 40 GFAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1 79481218 UQRHJGCOENFZLJ-UHFFFAOYSA-N 379.416 2.852 0 40 GFAB Cc1nn2c(=O)cc(COC(=O)c3ccccc3Br)nc2s1 41078235 PDLADXZVDXFOKO-UHFFFAOYSA-N 380.223 2.579 0 40 GFAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cccs1 225134050 VNYMFLZTXLYZKN-UHFFFAOYSA-N 397.474 2.602 0 40 GFAB CCN(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(F)cc1 226056109 JCNCWBYIPYUSOV-AWEZNQCLSA-N 376.453 2.814 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 224860799 MQXWKEVNNWUVQL-UHFFFAOYSA-N 388.367 2.990 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 44886008 SYPFWKZUQAOGAZ-UHFFFAOYSA-N 395.912 2.611 0 40 GFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)cc3)n2)cc1 223584268 IILNMBBOAGRELW-UHFFFAOYSA-N 389.433 2.622 0 40 GFAB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1cccs1 225125779 GKUMOYMUZGBNII-UHFFFAOYSA-N 397.474 2.683 0 40 GFAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccccc3Cl)O2)no1 96268975 SVWDSJBUCICJST-ZYSHUDEJSA-N 380.872 2.715 0 40 GFAB biogenic,in-vitro O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCN1CCOCC1 95473691 KBKOISACKJFGKR-GOSISDBHSA-N 375.900 2.764 0 40 GFAB C[C@H](C(=O)N1CCC[C@@]1(c1c[nH]c2ccccc12)C(F)(F)F)S(C)(=O)=O 622981331 WNLGLLLAEHODPC-BDJLRTHQSA-N 388.411 2.981 0 40 GFAB CCn1c(O)nc2cc(C(=O)Nc3cccc(N4CCCNC4=O)c3)ccc21 669288741 OBTJHCGSMSCIKZ-UHFFFAOYSA-N 379.420 2.934 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(Oc2cnccn2)CC1 90678072 LAVWSXSCAZAHOZ-UHFFFAOYSA-N 381.411 2.700 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607897 DLVMPFZUIYKULZ-UHFFFAOYSA-N 392.438 2.646 0 40 GFAB COc1ccccc1CNC(=O)C(=O)NC[C@@](C)(OC)c1cccc(Cl)c1 96393126 PMDMQCHZHBHNTO-HXUWFJFHSA-N 390.867 2.643 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)CCO1 669504070 UYNLZNMQVWPQSI-GJZGRUSLSA-N 382.338 2.938 0 40 GFAB COc1ccc2nc(C)c(C(=O)Nc3cc(-n4cnnn4)ccc3F)cc2c1 40146899 KVWNGKGCBGCUPO-UHFFFAOYSA-N 378.367 2.919 0 40 GFAB CC(C)C[C@@H](NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5633105 UTMDJURWSATBQT-GFCCVEGCSA-N 376.240 2.730 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1 5391497 WGJXTBLCFSQZAJ-UHFFFAOYSA-N 396.476 2.968 0 40 GFAB O=C(CSc1nnc(Cc2ccccc2)c(O)n1)Nc1ccc2c(c1)OCO2 16777151 PJXCJBIFKIJEGY-UHFFFAOYSA-N 396.428 2.628 0 40 GFAB O=C(c1ccccc1F)N1Cc2nc3cc(-c4ccccn4)nn3c(O)c2C1 19347742 ZBHIJAXYPFDENL-UHFFFAOYSA-N 375.363 2.792 0 40 GFAB O=C(CN1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 19369264 HFNLFQADWKWMRD-LJQANCHMSA-N 380.492 2.533 0 40 GFAB COc1ccc([C@H](C)NC(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)cc1F 19458626 NOPGOCKHDJIZBZ-LRDDRELGSA-N 391.443 2.655 0 40 GFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(c2ncccn2)CCO1 19697741 HZKFGJMPIWVTNB-OAHLLOKOSA-N 398.488 2.645 0 40 GFAB C[C@H]1CN(c2nc(O)cc(C3CCN(Cc4cccnc4)CC3)n2)C[C@@H](C)O1 19717526 JABLOKJUMXKEKZ-IYBDPMFKSA-N 383.496 2.570 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1C 8336372 OIVNWAHSRNTQKE-SDNWHVSQSA-N 382.441 2.844 0 40 GFAB CCCn1nnnc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 6462571 LPFZSNTVKFGDBI-GQCTYLIASA-N 385.280 2.916 0 40 GFAB O=C(O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 4641511 OAIUKQWCFGTWIH-WEVVVXLNSA-N 380.150 2.626 0 40 GFAB CN1CCO[C@@H](C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 618238029 OWUCKLBVNYPRAT-SJLPKXTDSA-N 386.414 2.839 0 40 GFAB CC(=O)N1c2ccc(NC(=O)Cn3cnc4sc(C)cc4c3=O)cc2C[C@@H]1C 12204507 GKYCIKFEWHJVHS-NSHDSACASA-N 396.472 2.703 0 40 GFAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 12365267 SDVSGOKOWDZRMN-CYBMUJFWSA-N 379.869 2.553 0 40 GFAB O=C(c1ccccc1F)N1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1 19347486 JMYKUXHJFMFMIT-UHFFFAOYSA-N 378.407 2.991 0 40 GFAB Cc1nc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C(C)C)C[C@@H]3CC2)cs1 2056223601 VPNJCDAGUBMRPX-NSHGMRRFSA-N 390.597 2.995 0 40 GFAB COc1ccc2nc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)ccc2c1 2087143854 NANVDEOUPWQYQG-KRWDZBQOSA-N 391.418 2.706 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C 5222263 OEFLCBKXINDGNL-CQSZACIVSA-N 394.880 2.741 0 40 GFAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(Br)c1 9570875 IDTXXEMSWGNAGN-UHFFFAOYSA-N 394.179 2.633 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCc2nnnn2-c2ccc(Cl)cc2)c(C)c1 9571198 LMGDKWIIIRUGJH-UHFFFAOYSA-N 391.884 2.719 0 40 GFAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nn1 9786955 HBLJOFVNXBJYGR-UHFFFAOYSA-N 397.412 2.528 0 40 GFAB COc1ccc(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 23106183 GMIUZUCKPCWBML-OAQYLSRUSA-N 386.467 2.957 0 40 GFAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1cc(-c2cccs2)on1 38753925 ZHSBLRVZMWDUHL-GFCCVEGCSA-N 388.474 2.622 0 40 GFAB Cc1nn(CCNC(=O)c2cnn(-c3ccccc3)n2)c(C)c1-c1ccco1 575614755 FNWWHNKSFREWMW-UHFFFAOYSA-N 376.420 2.771 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)NCc1ccc(Cl)cc1)C[C@H]2O 30588383 WHQXOQHZEQQHKY-MRXNPFEDSA-N 390.867 2.523 0 40 GFAB COc1ccc2cc(CNC(=O)[C@@]3(C)CC(=O)N=C4C=CC=CN43)ccc2c1 40158597 PTMBVZKZHYEYRH-JOCHJYFZSA-N 375.428 2.938 0 40 GFAB O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCO[C@@H](c2ccccc2)C1 30769531 CKJJXFYNYZGFOR-QGZVFWFLSA-N 386.883 2.947 0 40 GFAB O=C(CN1CCN(c2ccccc2F)CC1)NC[C@H]1CCN(c2ccccc2)C1 51155973 UINFXPBNYHOVOW-LJQANCHMSA-N 396.510 2.590 0 40 GFAB CCc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1 51316842 VHOUNDYZROGIKG-UHFFFAOYSA-N 379.445 2.821 0 40 GFAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12 33569168 DWQUQEIOIPIWEG-YBFXNURJSA-N 387.399 2.887 0 40 GFAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 54226671 FCLZRQJWBSZGNS-JXFKEZNVSA-N 386.517 2.797 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3ccc(F)cc3)=NC2=N1 940732 IKXLXVWPMMTPLU-INIZCTEOSA-N 383.814 2.916 0 40 GFAB NS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3OC(F)F)sc2c1 12599182 UZCQNTXMTGJJNB-UHFFFAOYSA-N 399.400 2.797 0 40 GFAB CN(CCN1CCOCC1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 105207052 XQJLGAYEEZDYIJ-KRWDZBQOSA-N 383.439 2.639 0 40 GFAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](C)c2cc3ccccc3o2)C1 105774049 VFTQVZPJGOXEGT-HIFRSBDPSA-N 380.466 2.603 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 25047605 XWDXUAUEONVUPW-INIZCTEOSA-N 387.480 2.609 0 40 GFAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)CCn1ccnc1)C3 100215321 NDXMUXZAAIMNKS-UHFFFAOYSA-N 388.431 2.539 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)NC[C@H](c3ccsc3)N(C)C)CC2=O)c1 25332374 XTQVTWQQDOECBN-MAUKXSAKSA-N 387.505 2.529 0 40 GFAB O=C(NCCO)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 8476829 FWJIBKJWAVJLFV-UHFFFAOYSA-N 377.231 2.963 0 40 GFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)Cc3ccccc3)c2n1 8941751 TUMFMVCKFGHZQV-UHFFFAOYSA-N 384.509 2.727 0 40 GFAB CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1 72295294 XLQXHNFFHNIVEF-GOSISDBHSA-N 397.456 2.863 0 40 GFAB Cn1ccnc1[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1F 48247938 HOXZJUSGZCIZAX-IFXJQAMLSA-N 384.455 2.556 0 40 GFAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 44737063 FESTUSQTATXWRH-MRXNPFEDSA-N 377.444 2.879 0 40 GFAB CC(C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1=O 52410967 UBQGDLKARLEECP-GOSISDBHSA-N 393.487 2.855 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc3[nH]nnc3c2)N2CCCCC2)cc1 27667944 CPTDDUAGBLDPAO-FQEVSTJZSA-N 379.464 2.924 0 40 GFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2F)n2nnnc2N3)cc1 10295413 JPJPGXAMXBWDGW-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB O=C(c1ccc2nncn2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 58355326 KBAUUEUHUNTYRB-UHFFFAOYSA-N 375.354 2.711 0 40 GFAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c1 58391598 FMTKFMFJIBLLEQ-UHFFFAOYSA-N 383.372 2.819 0 40 GFAB COc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1OC 57593979 GYTFEOIEPXVGCX-LBPRGKRZSA-N 386.379 2.883 0 40 GFAB O=S(=O)(Cc1ccccc1Cl)N1C[C@H]2CCC[C@H](C1)C2N1CCOCC1 100214205 YYVLPOFYQQLLFM-HZPDHXFCSA-N 398.956 2.603 0 40 GFAB C[C@@H]1CN(C(=O)CN2CCC(=O)N(Cc3ccccc3)c3ccccc32)CCO1 72308477 MXWDYASAPAHMPF-GOSISDBHSA-N 393.487 2.677 0 40 GFAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1cccs1 11292375 XOLHMRAQBYZADX-CRAIPNDOSA-N 385.489 2.725 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nc2ccccc2[nH]1 28986012 OSWNQVRBSTYDSW-HNNXBMFYSA-N 386.477 2.666 0 40 GFAB COc1cccc(NC(=O)CNC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)c1 12391651 SLXIJIBENJXNES-UHFFFAOYSA-N 383.404 2.562 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)Nc3cccc(NC(=O)C4CC4)c3)cnc12 13015450 OYESWKRMNPRGGQ-UHFFFAOYSA-N 376.416 2.692 0 40 GFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccnc1N(C)C 63297170 HXJVAOFQPCVKEB-INIZCTEOSA-N 376.407 2.819 0 40 GFAB CC(=O)OCCCc1cccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 96012059 UXTDFKBHYQNPLX-CQSZACIVSA-N 386.370 2.532 0 40 GFAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccccc1 64591317 BUCCRQVDLMDIAW-UHFFFAOYSA-N 388.383 2.530 0 40 GFAB Cc1nc2cc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)ccc2n1C 65474955 WBGJKGJBOQZFTF-LJQANCHMSA-N 376.460 2.975 0 40 GFAB CC(C)[C@H](C(=O)OCC(=O)N(C)c1ccccc1)N1C(=O)c2ccccc2C1=O 6539863 HAQZJRVMJLZKLR-LJQANCHMSA-N 394.427 2.513 0 40 GFAB COc1ccccc1/C=C/C(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 4889345 CBWXKVUUNQETJT-PCUGXKRQSA-N 389.415 2.870 0 40 GFAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 9418966 QMIDVXTWZINTMO-NWDGAFQWSA-N 375.313 2.544 0 40 GFAB O=c1c2ccccc2nc(SCCN2CCOCC2)n1-c1ccccc1F 23073150 BZIUJSVWKLWNHV-UHFFFAOYSA-N 385.464 2.949 0 40 GFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)n[nH]1 7472705 XMSAITIRUNJMRA-QGZVFWFLSA-N 380.473 2.880 0 40 GFAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cc2ccccc2c(Cl)n1 84594909 VNMOSJSJMZDXAT-HNNXBMFYSA-N 375.881 2.930 0 40 GFAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C2SCCS2)cc1 7736230 AHYPFVDAUNUCQG-LLVKDONJSA-N 382.507 2.945 0 40 GFAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 8307955 QQNVOSPIVZCGMZ-IBGZPJMESA-N 396.510 2.685 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccnc1 8748127 YNXUOILVWOKLOF-AWEZNQCLSA-N 380.425 2.914 0 40 GFAB COc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C 9690259 CBPGGCUZSBVCLI-UHFFFAOYSA-N 376.478 2.744 0 40 GFAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2s1 8991387 NIGYSDQVRAEQMG-CQSZACIVSA-N 387.486 2.744 0 40 GFAB Cc1ccsc1CN(C)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 8945440 OWCUBCIFMGNOKY-UHFFFAOYSA-N 398.532 2.995 0 40 GFAB Cn1cnnc1SCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 9028205 CYKCUGJLSPYVMG-UHFFFAOYSA-N 396.498 2.829 0 40 GFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 21625836 MJBHMCFFOWSNIK-XCLFUZPHSA-N 389.521 2.770 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(C)cc1 31100328 YEXDOIWAAOAKES-GOSISDBHSA-N 394.427 2.683 0 40 GFAB O=C(c1ccco1)N1CCC2(CC1)c1ccccc1N(CC1CC1)S2(=O)=O 306136057 PHQCEXBNRARONB-UHFFFAOYSA-N 386.473 2.971 0 40 GFAB Cc1ccccc1-c1cc(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)n[nH]1 532280275 HXQLWHIGWNUKTO-OAQYLSRUSA-N 389.415 2.692 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCS[C@H](c2ccco2)CC1 219440738 PRITVOCZOFNANZ-KRWDZBQOSA-N 381.475 2.920 0 40 GFAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCc3ccco3)c2s1 32615862 IFAKQGAFPOYIAK-UHFFFAOYSA-N 386.458 2.799 0 40 GFAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72346129 LOJLYNBELQDUSS-INIZCTEOSA-N 383.471 2.667 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 224047572 FGIRUAHJJNLWLI-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB Cc1ccc(OCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C 224317885 LNHDLGCCKKUXCK-UHFFFAOYSA-N 380.444 2.875 0 40 GFAB Cc1ccc(CNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220103477 RQZICWCPXKWWDN-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)s1 225791287 VGBAQOMGOWQJJI-UHFFFAOYSA-N 398.535 2.605 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 44838898 KBFVGSCFMPXIBL-INIZCTEOSA-N 390.505 2.955 0 40 GFAB Cc1cccc(-c2nnc3n2C[C@H](C(=O)NCc2cn4ccccc4n2)CC3)c1 574517637 WCKZAZCLPYKVJT-QGZVFWFLSA-N 386.459 2.780 0 40 GFAB FC(F)(F)CN1CCC[C@@H](Nc2nc(-c3cccnc3)nc3c2CCC3)C1 582385447 GGRPSSGYWWSVGI-CQSZACIVSA-N 377.414 3.466 0 40 GFAB O=S1(=O)NCC2(CCN(Cc3cccs3)CC2)COc2ccccc21 96037111 MQKXTBYVIDEKBB-UHFFFAOYSA-N 378.519 2.701 0 40 GFAB Cc1cc(OC2CN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)cc(=O)n1C1CC1 245026673 NFRPGIXRSBZBIL-UHFFFAOYSA-N 396.472 2.847 0 40 GFAB C[C@@H]1CN(C(=O)Cn2cc(-c3cccc(Br)c3)cn2)C[C@@H](C)O1 252484427 FVUJDHNONPQCCP-CHWSQXEVSA-N 378.270 2.948 0 40 GFAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)COc4ccccc4)CCO3)n2)[nH]n1 257314693 UYBWAEMCDPGCQS-GOSISDBHSA-N 393.447 2.836 0 40 GFAB CN1CC[C@@H]2CN(C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)C[C@@H]21 651104660 UBDBIVCQEKBYON-KDOFPFPSSA-N 379.489 2.772 0 40 GFAB COC(=O)c1ccc2c(O)nc(CN3CCN(c4ccc(F)cc4)CC3)nc2c1 57406202 WKOGBHQEGOCTBW-UHFFFAOYSA-N 396.422 2.583 0 40 GFAB O=C([C@H]1CCCN(c2ncc(Cl)cc2Br)C1)N1CCOCC1 302543337 IFKRPTGSDCZZDN-NSHDSACASA-N 388.693 2.573 0 40 GFAB FC(F)(F)c1nnc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)o1 585581623 CFJCPOOZJMYKGK-UHFFFAOYSA-N 393.373 2.783 0 40 GFAB Cc1nc(C)c(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)s1 1206166796 XNXVEKROSQHFIB-IYBDPMFKSA-N 377.535 2.512 0 40 GFAB CCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1 5511156 SQAIKRUOLPNMSH-UHFFFAOYSA-N 384.432 2.764 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 12115740 LISCLQBBPCPLAQ-KRWDZBQOSA-N 377.448 2.824 0 40 GFAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)on1 13225911 LPTLSOANZWMVBV-IJEWVQPXSA-N 399.495 2.830 0 40 GFAB CCCc1nn2c(=O)cc(COC(=O)CSc3ccccc3)nc2s1 15734266 XXCOVYLEJVZZMO-UHFFFAOYSA-N 375.475 2.939 0 40 GFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](C)CCCC(C)C)c1 16092462 JXPKHBMIRTUNBU-CYBMUJFWSA-N 385.482 2.753 0 40 GFAB C[C@H](C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1)N1CCCC1=O 19079647 OENKMFWASCSREH-IMHYJWESSA-N 399.535 2.662 0 40 GFAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)c2ccccc2)C3)C1 19459353 MTMOQBBPUCJNDV-MAUKXSAKSA-N 378.476 2.501 0 40 GFAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)c2ccncc2)C[C@@H](C)O1 19497661 OIKJAEJUAXVTEB-RVKKMQEKSA-N 395.507 2.929 0 40 GFAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 19572298 MEBXXKAWGUIRBX-UHFFFAOYSA-N 397.475 2.646 0 40 GFAB C[C@@H](NC(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1)c1nc2ccccc2[nH]1 19747539 NVBUFDNNDDKCSW-CYBMUJFWSA-N 380.423 2.580 0 40 GFAB COC1=C[C@]23CC(=O)CC=C2O[C@H]2C[C@@H](C=O)CC(=C23)C(Br)=N1 238790946 FLDMALHFOXCZIM-YALKKGATSA-N 378.222 2.819 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257269333 MPNLUWMCCBXUSM-PXBBLBRZSA-N 396.535 2.575 0 40 GFAB O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccc(N2CCOCC2)cc1 4500983 OUDDGVGGOWZIOD-UHFFFAOYSA-N 379.416 2.800 0 40 GFAB CC(C)n1ncc2cc(C(=O)OCC(=O)NCCc3ccc(F)cc3)cnc21 22188798 UNNQHTCLQPETNN-UHFFFAOYSA-N 384.411 2.667 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1 244909798 AWARQKKFKPSNKY-CZUORRHYSA-N 393.472 2.572 0 40 GFAB CN1c2ccccc2N(CCNC(=O)c2cc3ccccc3s2)S1(=O)=O 244975068 IAIULMGYRUNCFM-UHFFFAOYSA-N 387.486 2.832 0 40 GFAB O=C(c1ccncc1F)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037988914 NHBSDQMCSRYBQZ-OAQYLSRUSA-N 383.423 2.649 0 40 GFAB COC(=O)c1c(NC(=O)C2=COCCO2)sc2c1CC(C)(C)NC2(C)C 4275285 FDWHSFWEZKZXJP-UHFFFAOYSA-N 380.466 2.521 0 40 GFAB CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 4274417 CTAGJANMGIOBLK-GFCCVEGCSA-N 390.494 2.852 0 40 GFAB O=C(NC1CCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791584 UOCZVMWPJLWVOA-UHFFFAOYSA-N 377.444 2.605 0 40 GFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)COc1ccc(C)cc1 5076012 PSDTVSRGMBJKPN-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 5136711 FTMXFVNCPZUDHI-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(CC)CC3)c(O)n2n1 22578062 YAIWJGORFDQULX-INIZCTEOSA-N 389.500 2.925 0 40 GFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ccn3nccc3n2)CC1 2086867309 GSLVTQABKVYESO-UHFFFAOYSA-N 392.438 2.803 0 40 GFAB Cc1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c2c1cnn2C(C)(C)C 35589800 FKBDUWUZOKXSEQ-UHFFFAOYSA-N 375.379 2.573 0 40 GFAB Cc1nccc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 585147010 MOXHXENJUUYNJC-UHFFFAOYSA-N 385.848 2.810 0 40 GFAB COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)cc1 19554566 XXKHXARKRLPAQA-FQEVSTJZSA-N 380.492 2.817 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 16042734 GQEDXGPXHWISOL-BBATYDOGSA-N 375.421 2.713 0 40 GFAB biogenic CC(C)c1ccc(N2C(=O)CN(C3CCCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63389797 MIPQCOABFLNVGW-PMACEKPBSA-N 390.549 2.957 0 40 GFAB CCCn1c(=O)n(C[C@@H](O)COc2ccc(NC(C)=O)cc2)c2ccccc21 30530954 AAGUJWXMWIWDIQ-QGZVFWFLSA-N 383.448 2.611 0 40 GFAB O=[N+]([O-])C(=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2)[N+](=O)[O-] 100673837 GHXGBUJRQJRUQY-YWZLYKJASA-N 382.420 2.864 0 40 GFAB COCCn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)nc(C)c1C 32894004 DMLMCAKTBWUIDR-CYBMUJFWSA-N 391.493 2.845 0 40 GFAB CCOc1ccc(SCC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 32913504 PGIGMNXUORAGDQ-UHFFFAOYSA-N 385.489 2.752 0 40 GFAB COc1ccc(C(=O)CCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1OC 32966874 RMAWMULGLKVMAT-INIZCTEOSA-N 399.443 2.965 0 40 GFAB CN1CCN(c2ccc(CNC(=O)N[C@H](c3ccccc3)C3CC3)cn2)CC1 23143482 IYOBWEJDVOTJIA-OAQYLSRUSA-N 379.508 2.784 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 871713 DNTXYZAIWLKDGN-FQEVSTJZSA-N 386.517 2.943 0 40 GFAB CCN(CC)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@H](C)C4 2326284 WLLCJQTTWZNJNR-LBPRGKRZSA-N 386.525 2.535 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1ccccc1 2620150 OOQVOOHQIMNUEH-UHFFFAOYSA-N 377.444 2.757 0 40 GFAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(Cl)c(Cl)c1 3285878 CHCITNHNHTUEGG-NSIKDUERSA-N 389.260 2.912 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Cl)cc1Cl 3332563 KULUOENVBSXYSH-VVVCHXIZSA-N 384.263 2.891 0 40 GFAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N 3534980 ZMSMPNZCYYBLNH-JTQLQIEISA-N 385.440 2.513 0 40 GFAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(Br)cc1 4139872 ORBAWGUFDQIDNW-UHFFFAOYSA-N 382.221 2.788 0 40 GFAB CN1C(=O)N[C@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4140267 FOMXGRXQNHKVHM-JMSVASOKSA-N 385.367 2.589 0 40 GFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(c2ncccn2)C1)C1CCCCC1 4236243 JTPXEPRWKUODNR-DOTOQJQBSA-N 393.491 2.781 0 40 GFAB biogenic,in-vitro CCCNC(=O)CSc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 4354249 GNSGKSHXAJGIOW-UHFFFAOYSA-N 390.509 2.915 0 40 GFAB CCC[C@@H]1O[P@@](=O)(N(CCOC(C)=O)CCOC(C)=O)OC[C@H]1CC 4429767 OBBOKOIRFWDVHH-ITNZAGEZSA-N 379.390 2.764 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 4570196 KOLBRFBVUPJOQV-UHFFFAOYSA-N 392.864 2.985 0 40 GFAB COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4OC)C3=O)c2c1 5274553 GGRLZSHZCKKBDQ-SFHVURJKSA-N 393.443 2.649 0 40 GFAB O=C(NCCCC[C@H](NC(=O)c1ccccc1)C(=O)O)OCc1ccccc1 5706862 LMIAZJBVEQLTGM-SFHVURJKSA-N 384.432 2.966 0 40 GFAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)NC(=O)NCc1ccccc1 6602404 YYLRBDPVMOUYAM-ZHACJKMWSA-N 395.440 2.879 0 40 GFAB Cc1c(CC(=O)NC[C@H](O)c2ccccc2)c(=O)oc2cc(O)c(Cl)cc12 6659703 BTBJQZHEDRXHSA-KRWDZBQOSA-N 387.819 2.853 0 40 GFAB COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1 6805134 DTCXUTRQGMHETD-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB Cc1sc2ncn(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(=O)c2c1C 7383390 AKJYBXBBAJOHDP-LBPRGKRZSA-N 399.472 2.723 0 40 GFAB Cc1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1F 7437604 JZFJDDTWGQZJQT-INIZCTEOSA-N 393.484 2.579 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 8036598 SORIKXAQSIULAA-UHFFFAOYSA-N 397.460 2.863 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OCC 8041256 AAQCOELJUJKTCO-UHFFFAOYSA-N 393.461 2.734 0 40 GFAB C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OC)c1OC 8477299 FTJCCEPQUOOLOH-LFIBNONCSA-N 384.432 2.837 0 40 GFAB O=C(CCC(=O)N1CCOCC1)Nc1ccc(-c2cn3ccccc3n2)cc1 8704521 FBTSUEZJPYXURF-UHFFFAOYSA-N 378.432 2.579 0 40 GFAB CCOC(=O)CCC(=O)NC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1 9101119 DMEXVAXCPNSBME-LLVKDONJSA-N 389.235 2.778 0 40 GFAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 9852924 IINQPYRXTDTKAQ-UHFFFAOYSA-N 379.438 2.702 0 40 GFAB CC(C)c1nc2ccccc2c2nn(CC(=O)NCc3cccc(F)c3)c(=O)n12 12181925 ZLBGVLXUSRPINI-UHFFFAOYSA-N 393.422 2.623 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12388878 STXZGGNOECDWHJ-HNNXBMFYSA-N 395.850 2.971 0 40 GFAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(F)cc1F 12443226 QNMYGBCTUZUWQT-UHFFFAOYSA-N 395.369 2.878 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(C)cc1 12537722 STAJEOMLZSNTIL-UHFFFAOYSA-N 375.494 2.858 0 40 GFAB Cc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 12854082 IOICRFFESLSPOB-UHFFFAOYSA-N 396.443 2.980 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)NCCCN3CCCCCC3=O)CC2=O)c1C 12925291 NQANSKOSMKUENP-GOSISDBHSA-N 385.508 2.565 0 40 GFAB C[C@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N1CCc2ccccc21 12939118 ASWWYIMEFCNLTA-BLLLJJGKSA-N 382.391 2.773 0 40 GFAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1cccc(Br)c1 12947733 BGCJTPMMTLVNTJ-UHFFFAOYSA-N 380.223 2.966 0 40 GFAB Oc1nc(N2CCN(c3ccccn3)CC2)nnc1Cc1ccc(Cl)cc1 13629967 XGTPFFHJHQFZNN-UHFFFAOYSA-N 382.855 2.543 0 40 GFAB Cc1cc(N(C)CC(=O)Nc2ccc(Br)cc2C)n2ncnc2n1 14248379 BJYIUTVOUQPMTA-UHFFFAOYSA-N 389.257 2.579 0 40 GFAB COc1cc2nc(NN)n(-c3ccc(Cl)c(Cl)c3)c(=O)c2cc1OC 15424606 GNEALCYTSIBGCU-UHFFFAOYSA-N 381.219 2.995 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 15781535 WWPYPWVIAOFJAW-UHFFFAOYSA-N 394.518 2.731 0 40 GFAB O=C1C[C@H](C(=O)N2CCC(Oc3ccccc3F)CC2)CN1Cc1ccccn1 19350105 RHEBJBFZRWQVSY-INIZCTEOSA-N 397.450 2.639 0 40 GFAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccncc3)C2)no1 19405414 ZACNMDDMDJYBHA-GOSISDBHSA-N 377.448 2.774 0 40 GFAB CC(C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19450205 PYMFMSMWIWSMOS-UHFFFAOYSA-N 390.487 2.593 0 40 GFAB CCc1nc(N2CCCC2)ncc1C(=O)N1CCC(COc2ccccn2)CC1 19521515 JBQQFQZXVZDQKS-UHFFFAOYSA-N 395.507 2.965 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19688192 WTXQKZMGGDVZMF-KRWDZBQOSA-N 377.485 2.797 0 40 GFAB CCn1c(=O)n(CC)c2cc(-c3cncn3[C@H](C)CN3CCOCC3)ccc21 19719641 BELQRQVEGHQADC-MRXNPFEDSA-N 383.496 2.600 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21 19936543 IWOWXGFGIRJJTD-UHFFFAOYSA-N 383.223 2.695 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCN(C)C)c2)cc1 20110890 VAFUQQIGKYEBKG-UHFFFAOYSA-N 395.912 2.741 0 40 GFAB CCc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)n2nc(C)cc2C)cc1 21731058 IVUKYHKDWDAUST-UHFFFAOYSA-N 387.465 2.583 0 40 GFAB Cc1cccc(C(=O)N[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)C(C)C)c1 21873004 MKFABUVPCFUWRK-XLIONFOSSA-N 382.460 2.706 0 40 GFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1cccs1 22069140 LJYIEVCNFPCJLT-YJBOKZPZSA-N 375.450 2.622 0 40 GFAB O=C(CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)NC1CCCCC1 26605853 HGBUVJBFHZPVHL-UHFFFAOYSA-N 397.441 2.912 0 40 GFAB COc1ccc([C@@H]2Nc3ccccc3-c3c(O)nc(SC)n[n+]32)cc1OC 27233044 SWQHCHNNCXZSFB-QGZVFWFLSA-O 383.453 2.848 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 28209481 LHQXQUAAVAKWOI-GOSISDBHSA-N 386.473 2.930 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCN(CCc4ccccn4)CC3)no2)cc1 28288822 VIKXBPXOAIXSJT-UHFFFAOYSA-N 392.459 2.746 0 40 GFAB Ic1ccccc1OCc1nnnn1-c1ccccc1 31657280 PFSUPJXKSINDHW-UHFFFAOYSA-N 378.173 2.846 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cn1C 31667007 WLCJOZODYKASGQ-MDZDMXLPSA-N 396.472 2.751 0 40 GFAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccc2ccccc2c1 32870652 RQAQQRWKGPFTGL-UHFFFAOYSA-N 378.457 2.958 0 40 GFAB COc1ccccc1-c1nc(-c2ccccc2OCC(=O)N2CCOCC2)no1 33325125 KUQZTEIUJKSLSR-UHFFFAOYSA-N 395.415 2.650 0 40 GFAB CC(C)c1ccc([C@@H](C)NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 38780504 AXQVWPAGHOMYDA-OAHLLOKOSA-N 386.496 2.747 0 40 GFAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(C(=O)N2CCOCC2)c1 40122358 SJWKYYAQKYFKEC-UHFFFAOYSA-N 390.443 2.526 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1-n1cccn1 40145463 CXLRBXAAYNBSIU-UHFFFAOYSA-N 376.416 2.597 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380017 QAPHTBYRBCWCPC-GFCCVEGCSA-N 399.432 2.645 0 40 GFAB Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)N1CCSCC1 49551088 FCOWOEKGDNRTHD-UHFFFAOYSA-N 378.881 2.807 0 40 GFAB C[C@@H](COc1ccc(F)cc1F)NC(=O)CN1C(=O)CSc2ccccc21 55697890 QRXNVLXFRWDBTF-LBPRGKRZSA-N 392.427 2.987 0 40 GFAB Cc1cccc(N(C)C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 57486548 OZWLFSYBUXSCNR-UHFFFAOYSA-N 391.406 2.693 0 40 GFAB COc1ccccc1OCC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58201080 IEHABOITIRBCEN-AWEZNQCLSA-N 376.403 2.995 0 40 GFAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC[C@@H]1c1ccc(O)cc1 58223258 ZQYGSXBKKMJFSG-HXUWFJFHSA-N 375.428 2.980 0 40 GFAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 59423904 SYLMPSPLZQHNTO-UHFFFAOYSA-N 394.424 2.543 0 40 GFAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)c1ccccc1 67890055 RBVHVNVGYPSTSC-XLIONFOSSA-N 383.492 2.894 0 40 GFAB biogenic,in-vitro CCNC(=O)N1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 70759542 UYDUZEACHINGJW-IBGZPJMESA-N 384.455 2.853 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(C(C)=O)c1 71745270 XIYZIBVWVXOBLW-QFIPXVFZSA-N 391.427 2.827 0 40 GFAB biogenic CC(=O)N1CCn2c(nnc2[C@@H]2CCCN(Cc3ccnc4ccccc34)C2)C1 72372129 IVWOFVJHEDGPLP-GOSISDBHSA-N 390.491 2.568 0 40 GFAB Cc1cccnc1Nc1nccc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72377585 DAFVRNPVCJSEBF-KRWDZBQOSA-N 380.496 2.725 0 40 GFAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN(S(=O)(=O)C(C)C)C2)n1 72384829 MPXNCJXVLULMRQ-OAHLLOKOSA-N 375.498 2.760 0 40 GFAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 84338956 YLNGAXQZCFIRJV-UHFFFAOYSA-N 386.502 2.518 0 40 GFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCCC1 95473193 VQLIPPBKOJDITK-GOSISDBHSA-N 392.931 2.819 0 40 GFAB CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1 95944420 IAMYSRBGQKFLOZ-HNNXBMFYSA-N 399.491 2.826 0 40 GFAB CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CCO1 95991610 JNPHRNZIVASKAZ-VAMGGRTRSA-N 378.488 2.909 0 40 GFAB Cc1nc(C(=O)N2CCOCC2)cc(N2CCC(Cc3ccccc3)CC2)n1 96182821 DEDQMKMJIKYEGV-UHFFFAOYSA-N 380.492 2.717 0 40 GFAB Cc1nc(CN2CCOC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)cs1 96229291 LBGXFIXBIXLVSP-FQEVSTJZSA-N 386.521 2.601 0 40 GFAB O=C(CCn1cccn1)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 100155955 NSXOIKUQBWJXKD-IYBDPMFKSA-N 380.452 2.808 0 40 GFAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCCN1CCOCC1 102309040 NTYVOMGYORQZPG-RCDYEMGKSA-N 386.330 2.986 0 40 GFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]23)c1OC 102897307 CXZZROQEYUOPBU-LPHOPBHVSA-N 380.400 2.613 0 40 GFAB CSc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 220073090 CVWDIFGUWHCUSI-UHFFFAOYSA-N 382.482 2.630 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223563305 WQBABCSZIXWXBC-CHWSQXEVSA-N 384.324 2.870 0 40 GFAB COc1ccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 224397196 USBOVPQYUHRYRU-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224893708 NYSGWIINRFCRPM-UHFFFAOYSA-N 376.434 2.647 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 225476557 ZLDLXDBYCPHAID-SUMDDJOVSA-N 376.522 2.701 0 40 GFAB Cc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 225676724 WCWRDMWBVIUSMQ-UHFFFAOYSA-N 376.503 2.820 0 40 GFAB COc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225680472 BDBMECGIQRIFKA-UHFFFAOYSA-N 392.502 2.520 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)CN3CC[C@H]4CCCC[C@H]4C3)ccc21 247497533 DKQDALSLAVGQMU-QAPCUYQASA-N 376.522 2.704 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c(C)c1 253397616 FVBSSHNQUFHZGF-KRWDZBQOSA-N 396.534 2.665 0 40 GFAB CC[Si](C)(C)C[C@@H]1C(=O)N=C(SCC(=O)Nc2ccccc2)NC1=O 253561798 CNFQSNILMDMBLE-UHFFFAOYSA-N 377.542 2.715 0 40 GFAB Cc1cc(-c2nccn2C)nc(CC2CCN(C(=O)Cc3cccnc3)CC2)n1 257326909 WZBTVCRBIUZGNE-UHFFFAOYSA-N 390.491 2.604 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@](O)(CN3CCc4ccccc4C3)CC2)c(O)n1 257340294 ZFKDEHROQDYEOR-HSZRJFAPSA-N 395.503 2.511 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccccn3)C[C@H]21 306133496 MNHBXLLTYBFMPY-TZIWHRDSSA-N 377.469 2.899 0 40 GFAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 408602665 DCMNSEPYMPNRDR-INIZCTEOSA-N 386.429 2.699 0 40 GFAB Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nn1-c1ccccc1 538940027 XKRLIIYCCUEWGY-UHFFFAOYSA-N 399.476 2.546 0 40 GFAB COc1ncc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)cc1Cl 551284331 FSCACOIGXZNBKV-UHFFFAOYSA-N 389.839 2.777 0 40 GFAB COc1ccc([C@H](NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)C(=O)O)cc1Br 563200243 LDERUBUGCOGHSO-OBPYKSBLSA-N 386.242 2.513 0 40 GFAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575615516 DJTMOALYLOBYFN-AWEZNQCLSA-N 389.415 2.857 0 40 GFAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)C2)cc1C 585273412 UQSOCBWYNMHDJP-DEOSSOPVSA-N 396.531 2.868 0 40 GFAB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2C)s1 590565970 PLJNJNARRBYNEU-JTQLQIEISA-N 382.463 2.753 0 40 GFAB Cc1ccccc1CN1CCC(NC(=O)CN2CCC[C@H](N3CCCC3)C2)CC1 613441292 ZPZQLUCZTRNWFL-QHCPKHFHSA-N 398.595 2.636 0 40 GFAB O=C(CCc1ccccc1)N[C@@H]1CCC12CCN(C(=O)CC1(O)CCC1)CC2 1614939998 AKVQJXZZOJPOSR-LJQANCHMSA-N 384.520 2.812 0 40 GFAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)COc3ccccc3F)CC2)n1 1775995184 GUYVXMUDUSPJCZ-UHFFFAOYSA-N 387.455 2.922 0 40 GFAB CN([C@H]1CCN(c2nc3cnccc3s2)C1)S(=O)(=O)Cc1ccccc1 1888910614 CJIRQVKBURESKT-HNNXBMFYSA-N 388.518 2.732 0 40 GFAB Cc1cccnc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840842 UENFVLZTYCYTPF-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB COc1ccccc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841155 YJSXLOICNJOPFF-UHFFFAOYSA-N 398.434 2.873 0 40 GFAB O=C(c1cncc(F)c1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2086896615 COUAATNBQGQWTQ-NHYWBVRUSA-N 380.345 2.985 0 40 GFAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(C(C)C)cc1 707630 HFTTWJOZPDZNPT-WEMPKCCASA-N 390.476 2.976 0 40 GFAB biogenic CC1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)CC1 933393 HPHWYLNWRUJBEQ-UHFFFAOYSA-N 377.535 2.834 0 40 GFAB CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 1572947 AJQYZRHQCXCROF-RBUKOAKNSA-N 398.459 2.750 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC)c1 2627338 SAKFWMNATUEEHT-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)no1 3488028 UNMMFYDMDGAYFZ-UHFFFAOYSA-N 383.360 2.932 0 40 GFAB O=C(NCCCc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4195323 BQPHPMYXPYHFJY-KRWDZBQOSA-N 380.444 2.560 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4ccc(CC)cc4)c(C)c(C)n23)n(C)c1=O 4250789 ARHBYZYYHVQWQI-UHFFFAOYSA-N 379.464 2.728 0 40 GFAB O=C(NCCc1nnc2ccc(SCc3cccnc3)nn12)c1ccccc1 4272444 SDTFBAWELVJSHC-UHFFFAOYSA-N 390.472 2.784 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4)[C@H]3C2=O)cc1Cl 4852107 OJUPUFGIEMIFIK-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB C[C@H]1CCCCN1C(=O)CSc1nnc2c3ccccc3n(CC(=O)O)c2n1 4898913 JHWZTNXWLGZNOH-LBPRGKRZSA-N 399.476 2.557 0 40 GFAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2CC(=O)NCc1cccs1 4908163 OJSOFFOTPZWNIC-MQVJKMGUSA-N 377.554 2.912 0 40 GFAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC(F)F 5601053 RLYVTLXLYRZWOM-NSHDSACASA-N 391.168 2.851 0 40 GFAB COCCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 5698149 WTVHRTYMXXBNEU-UHFFFAOYSA-N 390.505 2.651 0 40 GFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)OCC)cc1 6316210 MUYQSRUUONNLBA-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 6553594 RXGYJSZAMFKNHJ-UHFFFAOYSA-N 384.379 2.730 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC1=O 6650711 CVKSXBSZUOPHOI-HNNXBMFYSA-N 382.416 2.864 0 40 GFAB COc1ccccc1CCC(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 7429301 YRFLXSSBXOLLFF-AWEZNQCLSA-N 376.453 2.718 0 40 GFAB COC(=O)c1c(NC(=O)CSc2cccc[n+]2[O-])sc2c1CCCC2 7507310 MIKIOFMEJWGFMH-UHFFFAOYSA-N 378.475 2.778 0 40 GFAB CCOc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)N(CC)CC 7814365 CPSDSCAPVZFBBB-UHFFFAOYSA-N 377.466 2.763 0 40 GFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(Cl)c2)C1=O 8103523 GQPOYEDQTRZEHX-ZROIWOOFSA-N 398.868 2.538 0 40 GFAB CC(=O)Nc1cc(C(=O)CSc2nnnn2-c2ccc(C)c(C)c2)ccc1O 8252018 FGKHRWSHWWQHSC-UHFFFAOYSA-N 397.460 2.918 0 40 GFAB CCn1nnnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 8314960 RWMNIRWYYWPESD-UHFFFAOYSA-N 375.454 2.855 0 40 GFAB O=C(COc1ccccc1P(=O)(O)O)Nc1ccc(Cl)cc1Cl 9420133 ALKNIBKZKCFEAV-UHFFFAOYSA-N 376.132 2.814 0 40 GFAB CC1CCN(Cc2csc(NC(=O)CCNC(=O)c3ccco3)n2)CC1 9607242 QHOJLRCXTYJKSN-UHFFFAOYSA-N 376.482 2.727 0 40 GFAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(F)cc2)n2nnnc2N3)cc1 10232589 CMDZLUSAIGMKRV-QGZVFWFLSA-N 375.367 2.978 0 40 GFAB Cc1ccc(Nc2nc(N)nc(Cn3nc(-c4ccc(F)cc4)oc3=O)n2)cc1 10423207 ZQAVCMJPNSKGDB-UHFFFAOYSA-N 393.382 2.510 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2nccn2-c2ccccc2C)CC1 10880931 RVWGXDMLWSUOGA-UHFFFAOYSA-N 388.493 2.574 0 40 GFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCOc1ccc2ccccc2c1 10998117 ARKSSUXOCSVNEI-UHFFFAOYSA-N 384.457 2.604 0 40 GFAB COc1ccccc1CCNC(=O)CSc1ccc(-n2nc(C)cc2C)nn1 11141484 ONPDZUHUJJCTIU-UHFFFAOYSA-N 397.504 2.739 0 40 GFAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)on1 11739517 DBGFIIJGFASRLS-UHFFFAOYSA-N 375.435 2.818 0 40 GFAB Cc1cc(-c2cncnc2C2CCN(CC(=O)NCc3cccs3)CC2)on1 12118308 JYIMMSQNEUXALW-UHFFFAOYSA-N 397.504 2.997 0 40 GFAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)NC5CCCCC5)nc4c23)C1 12132237 HOICLJBCOHFPSA-LBPRGKRZSA-N 399.520 2.679 0 40 GFAB Cc1ccccc1O[C@@H](C)C(=O)NCCNC(=O)[C@@H](C)Oc1ccccc1C 12406166 AGPDYEXJSRJQPI-HDICACEKSA-N 384.476 2.771 0 40 GFAB COc1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1OC 12489316 QHAPTTOJHBYJJH-UHFFFAOYSA-N 390.447 2.941 0 40 GFAB CC(C)CN(Cn1nc(-c2ccccc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12924226 VWZMLFJELYAHHM-MRXNPFEDSA-N 394.566 2.721 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN1CCN(c3ccccc3Cl)CC1)C2=O 13098111 BJADWUONGLPSCR-UHFFFAOYSA-N 390.915 2.920 0 40 GFAB CCCOc1ccc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 13156501 WKLKWEQBVFSVRG-SFHVURJKSA-N 399.443 2.931 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 14246663 OBWYVPDWAZZUNF-UHFFFAOYSA-N 392.459 2.739 0 40 GFAB CCc1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 14397955 MFFIJKZBQZVGIC-UHFFFAOYSA-N 390.461 2.773 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 15590151 SASLVDZTDKUZBY-UHFFFAOYSA-N 384.910 2.985 0 40 GFAB CC(=O)Nc1ccc(/C=c2\sc3nnc(/C=C/c4ccccc4)n3c2=O)cc1 16957477 KBNBLYDQMCBEMG-KTYKIUSQSA-N 388.452 2.828 0 40 GFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 19166870 VFAYVFVUCGRBEL-QYZOEREBSA-N 397.862 2.884 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(CCCOc4ccc(C)cc4)C3)ncc2C1 19211019 GMPLNUKTHVXONJ-LJQANCHMSA-N 394.519 2.948 0 40 GFAB CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 19533002 UCDSBAZYDBOHJQ-HXUWFJFHSA-N 380.492 2.817 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 19867851 LKSOQPWWEGSDRM-SXLOBPIMSA-N 390.549 2.842 0 40 GFAB CN1CCN(N2CN(CCc3cccs3)Cn3c2nc2ccccc23)CC1 20637258 WNDXTCTUZAKYNB-UHFFFAOYSA-N 382.537 2.540 0 40 GFAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC 20637641 QUFLEQWUHNHJDV-MSOLQXFVSA-N 395.415 2.774 0 40 GFAB O=S1(=O)CC[C@H](Cc2nnc(SCc3ccc(-n4cccn4)cc3)o2)C1 21737195 HKWAZRANHHGXGH-CQSZACIVSA-N 390.490 2.525 0 40 GFAB Cc1ccccc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O 22326760 RBCLWBTUVIAPSD-UHFFFAOYSA-N 390.505 2.865 0 40 GFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc(-n2cnnn2)c1 22487251 VRUPZPYMYSSBQA-UHFFFAOYSA-N 391.353 2.671 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=c3/sccn3C)c2)cc1 22900212 RSWRINOIHOTABP-VHEBQXMUSA-N 387.486 2.937 0 40 GFAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCc2sccc2C1 22946618 KQTKRKMSFDQJNS-LBPRGKRZSA-N 382.441 2.720 0 40 GFAB CC(=O)N1CCN(C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 23386748 FQEUOXMMQPLUQG-GGAORHGYSA-N 382.504 2.626 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25764841 OLWHTXWEWOFARC-UHFFFAOYSA-N 379.338 2.792 0 40 GFAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H](Cc1ccccc1)n1cnnn1 27133146 ZSBKLSONUAABJS-OAHLLOKOSA-N 377.326 2.994 0 40 GFAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccsc2c1=O 27818695 TYDQPXMRGMVWJZ-UHFFFAOYSA-N 389.458 2.937 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC[C@@H]1CCCO1 27936395 CYXRISRSWRLWBC-IUCAKERBSA-N 384.196 2.829 0 40 GFAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1Cc2ccccc2O1 32375384 LLZHEWRTZJZIRK-UYAOXDASSA-N 386.879 2.833 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 32863259 WIWLJNDNNKHLMK-FUHWJXTLSA-N 379.526 2.590 0 40 GFAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCCO)CN2c1ccccc1 38829869 SDUPPXKZJZNQRU-UHFFFAOYSA-N 390.487 2.894 0 40 GFAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1 40118627 FUSSQBQXPHUWSS-AWEZNQCLSA-N 393.871 2.818 0 40 GFAB CN(C)C(=O)C1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1 43704219 PSKXFHJGCMLJCD-UHFFFAOYSA-N 395.297 2.739 0 40 GFAB O=C(Nc1ccc(C(=O)NCc2ccccc2N2CCOCC2)cc1)NC1CC1 48314285 NRZQETFGBWXYLA-UHFFFAOYSA-N 394.475 2.737 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)s1 48332073 XHDNFATZTAAVNR-UHFFFAOYSA-N 384.548 2.763 0 40 GFAB O=C(Cc1cccs1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 49422420 YYBXPHSVHFWSPQ-UHFFFAOYSA-N 380.477 2.568 0 40 GFAB O=C(NCCc1cc(F)cc2c1OCOC2)c1c(Cl)nc2ccccn12 52901856 XMPWJXGTJVZJSJ-UHFFFAOYSA-N 375.787 2.966 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(-n2ccnc2)c(F)c1 54224621 YPYUKYVUMLJOGQ-UHFFFAOYSA-N 379.399 2.637 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(SC)c2)c1=O 57477531 HWSHFTFVQBHXCE-UHFFFAOYSA-N 383.473 2.934 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O 57485838 UQOKKIUNLSFSHH-UHFFFAOYSA-N 377.853 2.927 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)c1c(-n2cccc2)sc2c1CCSC2 58304392 NUTKKUWKHZDWJF-GFCCVEGCSA-N 377.535 2.973 0 40 GFAB COc1ccc2cnn(CC(=O)N[C@@H](C)CCCC(C)C)c(=O)c2c1OC 61719071 IASINCXDCPNNQM-AWEZNQCLSA-N 375.469 2.745 0 40 GFAB COc1ccccc1-n1c(O)nc2nc(NCc3ccc(F)cc3)ncc2c1=O 67263811 XRPTZKNBINIXIX-UHFFFAOYSA-N 393.378 2.641 0 40 GFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1 71286630 KALWYJUPRPMCSS-GJZGRUSLSA-N 377.404 2.829 0 40 GFAB C[C@@H]1CCCCN1CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 72341142 FVTYKMBURSYQQQ-FOIQADDNSA-N 393.491 2.773 0 40 GFAB CCNC(=O)COc1cccc(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 78974227 QTORDJCENPROBZ-AWEZNQCLSA-N 393.484 2.643 0 40 GFAB Cc1ccc2c(O)c(C(=O)NC[C@@H](CO)Cc3cc(F)ccc3F)cnc2n1 78994419 APPIOUDKDVEENM-LBPRGKRZSA-N 387.386 2.503 0 40 GFAB C[C@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1 95967264 JHHKOJYBRSXKRO-SFHVURJKSA-N 376.508 2.888 0 40 GFAB COc1ccnc(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)n1 95999547 LBWZWLXJWZXURN-HNNXBMFYSA-N 378.436 2.845 0 40 GFAB CN(C)C(=O)OCCN(c1ccc(Br)cc1Cl)S(C)(=O)=O 97164975 BAVDYXVJCMFUIM-UHFFFAOYSA-N 399.694 2.567 0 40 GFAB C[C@]1(CNC(=O)CNC(=O)/C=C/c2ccco2)CCCN1Cc1ccccc1 97165429 DPCBYOCUQOLQGL-NELJVSICSA-N 381.476 2.580 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@H]3C2=O)cc1 100033074 DEABHCWMQZVLQR-RTBURBONSA-N 391.431 2.544 0 40 GFAB Cc1noc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)n1 101857955 HKJPIXATSOYNDI-GFCCVEGCSA-N 398.444 2.770 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104673158 KWLAVIHUHLYEEO-AESZEHBQSA-N 383.448 2.549 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 169293323 YEFCTMCIJSAHED-CHLMMMEMSA-N 377.227 2.691 0 40 GFAB C[C@H](C(=O)NCCCc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220483586 YFRGLLNZYIBIEK-OAHLLOKOSA-N 378.469 2.729 0 40 GFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C 222823024 LSFNDIHXGQQYTB-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 223294363 OEARKVMKERJIRQ-DHZHZOJOSA-N 377.491 2.582 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccc(Cl)c1 224435870 XXZMPJVXBGFJNU-UHFFFAOYSA-N 378.881 2.722 0 40 GFAB COc1ccc([C@@H](CC(=O)N[C@H](C)c2ccc(F)cc2)NS(C)(=O)=O)cc1 225954258 JHENIYYHYBAIPT-FZKQIMNGSA-N 394.468 2.692 0 40 GFAB COC(=O)c1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 244942756 CYKSTLZEUAYUID-MSOLQXFVSA-N 377.400 2.880 0 40 GFAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H]1c1cccs1 245237840 YZYFIQSNJHANAG-DOMZBBRYSA-N 379.507 2.560 0 40 GFAB CN1c2ccccc2N(CC(=O)N2CCC(Cc3ccccc3)CC2)S1(=O)=O 253473671 XBGDWZPTKJJOBB-UHFFFAOYSA-N 399.516 2.669 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)NCc2ccccc2OC)ccc1OC 408696765 FBDXTHXZIXXQFL-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB COC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O 409247442 CGEAKTANZXCBEX-GZTJUZNOSA-N 380.400 2.640 0 40 GFAB CCOc1c(Cl)cccc1CC(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 549849630 QTHZCPHTJNXDTD-UHFFFAOYSA-N 391.903 2.872 0 40 GFAB O=C(Nc1cccc(F)c1-c1nc[nH]n1)[C@@H]1CCCN(Cc2cccnc2)C1 562353328 JZDMWTNUGADCNC-OAHLLOKOSA-N 380.427 2.857 0 40 GFAB O=C1CN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CN1CC(F)(F)F 573752323 IMMCAMFNCDGSHG-UHFFFAOYSA-N 396.369 2.661 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](c4ccn(C)n4)C3)CC2=O)cc1C 575615287 CEBNYFMIPIOGQP-ROUUACIJSA-N 380.492 2.796 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2 583652539 AEXJTUPAZXZRHG-MAUKXSAKSA-N 380.444 2.860 0 40 GFAB CN1CCN(c2cc(C(=O)Nc3ccc(O[C@@H]4CC4(F)F)cc3)ccn2)CC1 620277438 NOLMEIUPQNXBIC-QGZVFWFLSA-N 388.418 2.872 0 40 GFAB O=C(CC(F)(F)F)NC[C@@H]1CCCN(c2ncc(C(=O)O)cc2Cl)C1 647454917 FFZCYEULZARINU-VIFPVBQESA-N 379.766 2.718 0 40 GFAB CC(C)O[C@@]1(Cn2nnc(Cc3cccc(Br)c3)n2)CCOC1 657254441 AVOHJHIACZHBJW-MRXNPFEDSA-N 381.274 2.611 0 40 GFAB O=C1C[C@H]2[C@H](CCN2Cc2ncc(C(F)(F)F)[nH]2)N1Cc1ccc(F)cc1 1565552155 PPRMMSBWAUOGSM-KBPBESRZSA-N 382.361 2.943 0 40 GFAB COc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615124808 YBWQTUWMLNVQJA-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB Cc1ocnc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615158057 PUIZTFSIBRPEAQ-HXUWFJFHSA-N 387.411 2.550 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)n2ncnc2N1 1411063 BPEIVCKTPCGRSA-GOSISDBHSA-N 375.388 2.934 0 40 GFAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(I)cn1 2363680 GDLIWEAZINAOKT-GQCTYLIASA-N 399.213 2.806 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O 3978410 PVAMXWLZJKTXFW-WNSOBVFPSA-N 390.520 2.575 0 40 GFAB biogenic,in-vitro COc1ccc(Cl)cc1-n1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O 4569989 JILHGOZGPLIQMI-UHFFFAOYSA-N 388.782 2.683 0 40 GFAB CCOC(=O)C1CCN(C(=O)/C(=C\c2ccccc2)n2ccccc2=O)CC1 4690922 XFLFIUNMWIMANN-KNTRCKAVSA-N 380.444 2.648 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccccc1OC)C2=O 4954729 NQRCYCHNMGTGSV-UHFFFAOYSA-N 387.480 2.544 0 40 GFAB O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2Br)o1 5102616 XZPSXPIXVNJNLE-UHFFFAOYSA-N 382.239 2.740 0 40 GFAB CCOC(=O)CCCNC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 6349720 SBEMIUMDOUSEFE-UHFFFAOYSA-N 379.428 2.640 0 40 GFAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cccc(Cl)c3)c(=O)n2n1 6363590 VSJXNXUTWKHHKZ-YBEGLDIGSA-N 397.843 2.944 0 40 GFAB COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)c1cccs1 6509697 KSKFTXVVZGKUTE-UHFFFAOYSA-N 397.294 2.908 0 40 GFAB COc1cc(CCC(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC 6639167 SGIVRBIIHXWHBE-GDBMZVCRSA-N 393.480 2.883 0 40 GFAB O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6649328 QFZDTJNFIQDVAG-UHFFFAOYSA-N 396.871 2.555 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 6729338 WVJALADLVGMNOZ-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1 6810217 YGRGYXIBRVEZML-INIZCTEOSA-N 393.530 2.960 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C(F)(F)F)n1C 7293902 PBZWEQRGZGNDME-SECBINFHSA-N 399.398 2.690 0 40 GFAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccc2c(c1)OCO2 8229854 PPFFOKDMCZUWNB-UHFFFAOYSA-N 387.417 2.816 0 40 GFAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)C2CC2)CC1 8262497 JZAIGXTUTZIHJX-UHFFFAOYSA-N 394.471 2.725 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1C 9191888 LXUUORFRCWZJRF-UHFFFAOYSA-N 375.450 2.504 0 40 GFAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 9250891 HXLUUGJZOUYDAW-LLVKDONJSA-N 380.495 2.662 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)NCc1ccccc1 9762019 UYTPILZXVUJJHL-UHFFFAOYSA-N 395.893 2.860 0 40 GFAB O=C(CCNS(=O)(=O)c1cccs1)Nc1nc(-c2ccccn2)cs1 9872057 SXTAYGFVEICDHW-UHFFFAOYSA-N 394.503 2.574 0 40 GFAB COc1cc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2)cc(OC)c1OC 9895466 OPLNGEJJVDNYOA-KRWDZBQOSA-N 398.459 2.806 0 40 GFAB COc1ccccc1NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 11563218 VQAGMSXIPYAVAM-UHFFFAOYSA-N 382.464 2.920 0 40 GFAB COCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)o1 12134355 IAKWRQIGCYJXLA-AWEZNQCLSA-N 384.436 2.811 0 40 GFAB Cc1noc(C)c1CN1C(=O)COc2ccc(NC(=O)c3cccnc3)cc21 12289666 WZSVDJMCZJLBTR-UHFFFAOYSA-N 378.388 2.864 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)s1 12407988 BUAATLQYKDJXBW-UHFFFAOYSA-N 385.449 2.930 0 40 GFAB CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 12525019 VYKZCLOIVNXZPE-UHFFFAOYSA-N 382.489 2.847 0 40 GFAB CCN(C(=O)[C@H](C)Sc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 12537863 UTUCXCQLGVICGB-ZFWWWQNUSA-N 378.519 2.751 0 40 GFAB CCOc1cc(C(=O)Nc2nn3cnnc3s2)ccc1OCc1cccnc1 12545063 RCHYXDFJPPJLRA-UHFFFAOYSA-N 396.432 2.811 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(CCC3CCCC3)n[nH]2)C1 12911668 WJNUYHNXWUMTAS-OAHLLOKOSA-N 394.541 2.821 0 40 GFAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)cc1 12980124 XJSFMZVWCLWAQB-DYESRHJHSA-N 388.464 2.520 0 40 GFAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1sccc1C(N)=O 12988882 QGWBYMQOALKJEO-VIFPVBQESA-N 379.511 2.817 0 40 GFAB C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)cc1)C(=O)O 13579248 APPQCNDCZAVFPX-YFHOEESVSA-N 375.406 2.683 0 40 GFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 13629624 WMNZDPTXYABFPL-KRWDZBQOSA-N 385.851 2.857 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 14019403 XWWRRRVVBIYKKR-KRWDZBQOSA-N 386.473 2.929 0 40 GFAB CCOC(=O)N[C@H](ON1C(=O)COc2ccccc21)C(Cl)(Cl)Cl 16682961 GYTJOIMYDUUORQ-LLVKDONJSA-N 383.615 2.786 0 40 GFAB O=C(CCn1cnc2ccccc21)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19376699 OSVSBAQWOMZGFK-LJQANCHMSA-N 390.491 2.616 0 40 GFAB COc1cccc([C@H]2CN(C(=O)Cc3ccccc3OC)[C@@H]3CCCN[C@H]23)c1 19566429 PBPKGOIZCHTFPQ-TXTKFYIRSA-N 380.488 2.993 0 40 GFAB COC1CCC(C(=O)NC2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1 19592569 FZZZGYOMYBTDIV-UHFFFAOYSA-N 386.492 2.812 0 40 GFAB C[C@H](NC(=O)CC1CCN(C(=O)c2cn3cccnc3n2)CC1)c1ccccc1 19748553 YQFSBUYSZVDHIR-INIZCTEOSA-N 391.475 2.849 0 40 GFAB COc1ccccc1NC(=O)C(=O)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 20059995 YWVYJLXJWXUIBT-PIGZYNQJSA-N 399.369 2.663 0 40 GFAB Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1NS(C)(=O)=O 20107499 FPBXJRUYRACCGJ-UHFFFAOYSA-N 387.461 2.746 0 40 GFAB COc1cc(C(=O)Nc2nn3c(CC(C)C)nnc3s2)cc(OC)c1OC 20486388 UZBLJWQPBINUIO-UHFFFAOYSA-N 391.453 2.662 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ncn3n2)cc1 21025011 ZFYRHKWFDFOYSK-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1Cl 22248020 NKYBGPAPRWCNOJ-OAHLLOKOSA-N 383.853 2.713 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CC[C@@H]2CCCC[C@H]2C1 22774669 FJCLUYCXDVVERW-PMACEKPBSA-N 399.535 2.572 0 40 GFAB O=C(NCc1nnc2ccccn12)c1ccccc1OCc1cn2ccccc2n1 22837231 UYCXXHRNZDPGFZ-UHFFFAOYSA-N 398.426 2.886 0 40 GFAB Cc1ccc(NC(=O)CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c(C)c1 24511910 MJLVSLMOIKMFOL-UHFFFAOYSA-N 387.505 2.555 0 40 GFAB C[C@@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1 24767373 WGJPVIIJIAJIHN-OAHLLOKOSA-N 394.475 2.776 0 40 GFAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2NS(C)(=O)=O)cc1 24883002 VXSFVMNYNUDMSA-UHFFFAOYSA-N 376.434 2.668 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1F 29322237 PLAIHSLPNOKMCZ-LIRRHRJNSA-N 396.422 2.788 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 31112232 XMKCGOMODYKQKD-AWEZNQCLSA-N 385.464 2.984 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3-n3cnnn3)CC2)c1 32825205 GIHRBYFKYUUNPM-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB Cc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c2cccnc12 32908747 TYZGFQACXMRWQE-UHFFFAOYSA-N 387.399 2.529 0 40 GFAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1cccc(NS(C)(=O)=O)c1 36394174 FRBADBCARFDOJF-LBPRGKRZSA-N 382.869 2.968 0 40 GFAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 38772874 MXSQTCPNLLIMGY-UHFFFAOYSA-N 382.869 2.907 0 40 GFAB O=C(NCc1ccc(Cn2ccnc2)cc1)NC[C@H]1COc2ccccc2O1 40071246 YWGCYUFEZPHLMW-SFHVURJKSA-N 378.432 2.571 0 40 GFAB Cc1cccc(CN2CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)c1 40149032 RSKCVQIMISXZPX-UHFFFAOYSA-N 379.489 2.867 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)ccc1Br 40205469 KBTFHIYGRITGBN-UHFFFAOYSA-N 396.222 2.824 0 40 GFAB COc1cccc(CNC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)c1 48179230 FFGIAIXAZLKOIL-JTQLQIEISA-N 397.294 2.954 0 40 GFAB CC(C)[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 48324970 RKHALQQWGTYVAA-GOSISDBHSA-N 379.416 2.821 0 40 GFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 48325612 KTUCFZNDSOCRMR-AWEZNQCLSA-N 388.489 2.548 0 40 GFAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2ccc(F)c(Cl)c2)no1 49407683 DTIDNLPRQQFDFK-UHFFFAOYSA-N 398.781 2.890 0 40 GFAB C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55242450 RNPQHZFZUKWTQP-RDTXWAMCSA-N 380.510 2.835 0 40 GFAB CC[C@]1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CCC(=O)NC1=O 57121537 BJYOURSLMWEANE-QGZVFWFLSA-N 378.475 2.633 0 40 GFAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 57670325 IHMHLQQTDROYTA-RTBURBONSA-N 388.491 2.655 0 40 GFAB O=C(COc1ccc(Cl)cc1)Nc1cnn(CC(=O)NC2CCCC2)c1 58202947 OIUVZMKWSLVKNY-UHFFFAOYSA-N 376.844 2.613 0 40 GFAB COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1 58218228 KBCAKELEOBDYEO-UHFFFAOYSA-N 377.404 2.867 0 40 GFAB C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc2c(c1)OCCO2 61984058 UCQOAGORZROXPE-CYBMUJFWSA-N 381.388 2.549 0 40 GFAB CCOC(=O)[C@@H](Cc1ccc2c(c1)CN(Cc1ccccc1)CO2)NC(C)=O 61989710 HGSLGZUOERLMMQ-HXUWFJFHSA-N 382.460 2.649 0 40 GFAB biogenic Cc1ccccc1C(=O)NCCC(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 69921188 XOAJQINNZCOPNK-DLBZAZTESA-N 376.522 2.628 0 40 GFAB CCCOc1ccc2c(c1)OCC(C(=O)N1CCN(CCOC(C)C)CC1)=C2 72307174 VTFPTRIEZCQLGD-UHFFFAOYSA-N 388.508 2.820 0 40 GFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ncc[nH]2)C1 72352215 VYYNILDIKWPLBK-AWEZNQCLSA-N 384.505 2.990 0 40 GFAB CCn1ccnc1CN1CCN(C(=O)c2ccc(-c3cnco3)cc2)C[C@@H]1C 78806563 WZGYMAUPYYLCOA-INIZCTEOSA-N 379.464 2.905 0 40 GFAB Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C(=O)O)cc1F 78938679 NPTZKGXVHUDNSC-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cccc(Cn2cccnc2=O)c1 79100378 IGPMGUFFHXMCNW-ROUUACIJSA-N 398.463 2.535 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OC 95424070 DXISZFGYNLFJGR-GFCCVEGCSA-N 375.425 2.670 0 40 GFAB CCN1CC2(CCN(Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O 96037141 QTLZQLOCIAMJTM-UHFFFAOYSA-N 390.505 2.965 0 40 GFAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)COc2ccccc2)C3)cc1 96112846 BOIOEBWZUHIARU-IBGZPJMESA-N 393.443 2.653 0 40 GFAB biogenic,in-vitro Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1F 96237775 BITUFRUYMROHKA-QFIPXVFZSA-N 381.451 2.697 0 40 GFAB CC(C)(C)CNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96266439 OYLAPZFBHKSERX-UHFFFAOYSA-N 397.523 2.968 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(F)cc1 96518281 GHCXLGXQHAHLSC-JTQLQIEISA-N 390.601 2.771 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 100395307 FMKSDXUBMCDTLT-JQOWZUPLSA-N 390.361 2.593 0 40 GFAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2N2CCCN12 102706591 ZSNNWEDGCLUMBI-HSALFYBXSA-N 377.444 2.539 0 40 GFAB CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 107509021 CAZRVGSBVPONLY-KNQAVFIVSA-N 386.584 2.572 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)c1 115503839 UENQXTLZLIKLGU-UHFFFAOYSA-N 388.445 2.510 0 40 GFAB C[C@H]1CN(Cc2ccn(C(=O)OC(C)(C)C)n2)C[C@@H](C)N1C(=O)C(F)(F)F 117756509 UPXYEQZEJBNGPH-TXEJJXNPSA-N 390.406 2.650 0 40 GFAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1-c1cccnc1 223571087 VEURMRQAMZUOHI-OALUTQOASA-N 379.489 2.541 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc2ccccc2c1 224359359 JXTYUVNCIYXKHD-UHFFFAOYSA-N 377.448 2.785 0 40 GFAB COc1ccccc1CN(C)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 224389589 DPFDNIDDXWYBPZ-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1cn(C[C@H](O)c2ccccc2F)nn1 225580323 YMHKSDFKSWRVGR-SFHVURJKSA-N 398.394 2.580 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2c(C)cccc2C)NS(C)(=O)=O)cc1 225955317 LNILTFRFSUPFMI-QGZVFWFLSA-N 376.478 2.931 0 40 GFAB CCN(CC(=O)N(C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 226048224 LLQMLUYHTBAXPK-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1 230150630 UMYQNYSOUKLMFK-WBMJQRKESA-N 391.880 2.526 0 40 GFAB C[C@H](Oc1ccccc1F)C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 244970230 HOQQBYRPQQDRPG-HNNXBMFYSA-N 396.422 2.847 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230549 UHHOZHBNHLXTDL-PABYOWBDSA-N 392.455 2.685 0 40 GFAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1F 253394369 AZYYFKGKALYNTK-GOSISDBHSA-N 390.461 2.940 0 40 GFAB Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)c2ccn(C)n2)n1 257277542 NYIJSCBCZYLMLB-MRXNPFEDSA-N 380.452 2.719 0 40 GFAB CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257305313 SPJQCXFNCAWFGK-WOIUINJBSA-N 395.507 2.717 0 40 GFAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 306129081 HTYSEFLFGYCLCU-FPOVZHCZSA-N 377.469 2.899 0 40 GFAB O=C(c1ccco1)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306144914 ZSCJDDWTPUIONU-MSOLQXFVSA-N 379.391 2.942 0 40 GFAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1OC 408699531 XPPMZVGJZDXXRB-UHFFFAOYSA-N 391.449 2.803 0 40 GFAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)cc1 408974949 GLQKAINMPZUDDU-UHFFFAOYSA-N 386.367 2.732 0 40 GFAB Cc1ccc(C[C@@H](CO)N[C@@H](C)Cn2cc(Br)ccc2=O)cc1 567633065 MTMNBYBWFVPSBS-YOEHRIQHSA-N 379.298 2.501 0 40 GFAB Cc1ccccc1[C@@H](C(=O)O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 569981899 WVGXHKFTJSSOSI-IBGZPJMESA-N 388.489 2.517 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 575422014 LSHPZKMXBFYFEZ-KRWDZBQOSA-N 379.503 2.686 0 40 GFAB O=S(=O)(C1CC1)N1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 582313407 ARGQJGWOZQDWJB-UHFFFAOYSA-N 378.416 2.585 0 40 GFAB O=C(Nc1ccc(F)cc1N1CCOCC1)N[C@@H]1CCO[C@H]1c1ccncc1 626585241 LGPSALTXWWKYGA-MJGOQNOKSA-N 386.427 2.709 0 40 GFAB Cc1nc(C(=O)O)c2n1-c1ncccc1N[C@@]21CCN(C(=O)OC(C)(C)C)C1 642882054 ZDSAXFHYTMEECX-LJQANCHMSA-N 385.424 2.536 0 40 GFAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)C3CC(F)(F)C3)C2)C1 1565555038 OQGLUGHSGLNHAH-GOSISDBHSA-N 377.391 2.808 0 40 GFAB C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 1648707301 INHURNOSCRUNPS-ICSRJNTNSA-N 385.851 2.561 0 40 GFAB NC(=O)c1cccc(NC(=O)N(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1 1665267066 BVMJMBKQZJVBLH-IYARVYRRSA-N 383.448 2.829 0 40 GFAB O=C(c1ccncc1F)N1C[C@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1 2298205951 ILLABMCFHGPHAE-VXGBXAGGSA-N 391.244 2.587 0 40 GFAB CCOC(=O)c1cccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)c1 938847 PRTLVBDCYVZHDY-UHFFFAOYSA-N 379.409 2.556 0 40 GFAB COCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)cc2n2nnnc12 1367357 NMKHRYJHKQOTME-UHFFFAOYSA-N 381.461 2.823 0 40 GFAB C[C@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388621 YYLALWXEJOYRET-INIZCTEOSA-N 387.379 2.869 0 40 GFAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc(OC)c1OC 2343906 YBBDBIRCZHWDMV-QGZVFWFLSA-N 381.384 2.994 0 40 GFAB biogenic COc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC 2345844 MKNCECXWKFKXAE-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1OC 2628269 NSCXCGGIFVCCCT-QFIPXVFZSA-N 394.427 2.670 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)O)cc1 3319040 LFOWPNYNQJVOGO-GOSISDBHSA-N 375.446 2.848 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)Cc3cccc(C)c3)cc12 4032814 NIOBZMNIPIWYRR-UHFFFAOYSA-N 380.444 2.755 0 40 GFAB Cc1c(NC(=O)CN2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C 4057857 YXCMCJNFHRGGJI-UHFFFAOYSA-N 376.460 2.876 0 40 GFAB CC[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 4061445 LLIPCDMEOHSYMW-SNVBAGLBSA-N 391.884 2.779 0 40 GFAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 4073755 PCCSQTIJPCBNTJ-AOMKIAJQSA-N 385.460 2.942 0 40 GFAB biogenic Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(F)c4)cnc32)c(C)c1 4479264 GPAFOISNJWBUSF-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB CCCc1nnc(SCC(=O)NCc2ccc(OC)cc2)n1-n1cccc1 4518561 DBHHEKOLAVRQPL-UHFFFAOYSA-N 385.493 2.761 0 40 GFAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 4569122 OZXYSNQHKAVLLS-CQSZACIVSA-N 380.416 2.548 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 5002443 RECNOXNFXUJXRT-CQSZACIVSA-N 390.461 2.825 0 40 GFAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 5053509 GZZILDIDUNKZNF-RDGPPVDQSA-N 393.830 2.808 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 5192027 LUSFOTBMENBMHJ-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 6552716 OKSZIQDWMWMQOR-HUUCEWRRSA-N 378.542 2.784 0 40 GFAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 6653193 JLYUWMNRCOKFPD-NSHDSACASA-N 397.294 2.516 0 40 GFAB Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2c1C 6719618 XEYAXRHEWWNSLH-UHFFFAOYSA-N 397.500 2.931 0 40 GFAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCc1ccc(Cl)cc1 6798581 GEEQGNJJEKEUOJ-UHFFFAOYSA-N 399.863 2.589 0 40 GFAB CCOc1cccc(C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)c1 6810355 BCHRXSDNXKWCPE-INIZCTEOSA-N 377.462 2.816 0 40 GFAB CCOC(=O)c1ccc(COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1 6956279 IGPPIHHGJBQZTK-UHFFFAOYSA-N 379.368 2.650 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 6988733 SIQUNDRQPJEQRU-INIZCTEOSA-N 385.913 2.986 0 40 GFAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N1CCNC1=O 7872820 XWZWDFISTCVOFJ-LLVKDONJSA-N 396.476 2.794 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C(C)C)C(C)C)C2)cc1 10008464 IMEFFSGCRRTZFG-MRXNPFEDSA-N 396.553 2.893 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1C 10112282 DNRSLEJBCFWELV-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 10400251 INMYINCGYWXUMU-MLGOLLRUSA-N 394.518 2.596 0 40 GFAB Cc1cc(C(=O)COC(=O)c2sccc2S(=O)(=O)NC2CC2)c(C)s1 10566815 JMMQMUMXEJQTOR-UHFFFAOYSA-N 399.515 2.907 0 40 GFAB CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)c1ccccn1 12141956 PFBMITJSQGANBJ-MRXNPFEDSA-N 378.432 2.523 0 40 GFAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2c(Cl)cnn2C)c(C)n1 12159867 CRRLUACYJHKFHW-AWEZNQCLSA-N 385.921 2.904 0 40 GFAB O=S(=O)(CCCOc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 12440757 XKYCLAWLWBXWQO-UHFFFAOYSA-N 378.469 2.747 0 40 GFAB CON(C)S(=O)(=O)c1cc(C(=O)OCCCc2cccnc2)ccc1Cl 12522516 CFDHJESZVLZTPM-UHFFFAOYSA-N 398.868 2.707 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cn2)CC1 12523255 NHRCGZOIVBUXJB-UHFFFAOYSA-N 390.484 2.504 0 40 GFAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cnc2sccn2c1=O 12683372 WBGCECPVPPPGAB-UHFFFAOYSA-N 391.836 2.501 0 40 GFAB COc1cc(CNC(=O)NCCCN2CCC(C)CC2)cc(OC)c1OC 12783565 LPIARDKFYMWOBP-UHFFFAOYSA-N 379.501 2.634 0 40 GFAB CS(=O)(=O)c1ccc(F)c(NC(=O)CCc2ccc3c(c2)OCCO3)c1 12784348 HAYXTTDFAKRJIM-UHFFFAOYSA-N 379.409 2.572 0 40 GFAB CCc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12896524 YQQMSYSASOXHLI-FQEVSTJZSA-N 380.444 2.516 0 40 GFAB COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)c1 13693297 QEJGEYSTEFFJIF-MRXNPFEDSA-N 377.404 2.784 0 40 GFAB C[C@@H](SCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15493625 FJFQSLUECDKUFL-KOLCDFICSA-N 382.334 2.918 0 40 GFAB Cc1cc(NC(=O)COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)no1 16167740 DRTHFCUTXAMLTH-UHFFFAOYSA-N 386.404 2.748 0 40 GFAB O=C(CCCc1nc(-c2ccccc2)no1)OCc1cc(=O)n2ccsc2n1 17277864 UZBRDCBNPPUCBF-UHFFFAOYSA-N 396.428 2.872 0 40 GFAB CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 19009008 VLTKRKYXXMBLTD-UHFFFAOYSA-N 397.500 2.901 0 40 GFAB COc1cccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)c1OC 19211008 JEDRDFMXFVXKHK-UHFFFAOYSA-N 384.476 2.735 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)Nc1cccc2c1CCCC2 19345242 IAKFWUXVKGTTRE-LJQANCHMSA-N 376.460 2.915 0 40 GFAB COc1ncc(C2(O)CCN(Cc3ccc(OC)c(C)c3C)CC2)c(OC)n1 19577304 OJIQJGHVBQWMKP-UHFFFAOYSA-N 387.480 2.603 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccccc2)c1N 19580012 NQPJWDGOWKXGAO-MRXNPFEDSA-N 379.420 2.547 0 40 GFAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)Cc3nnc(N)s3)c2)C1 19712190 GZHSGGTUDFVBGW-CVEARBPZSA-N 389.525 2.863 0 40 GFAB CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 19929636 ZTJCTEUDXIGIGN-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COC(=O)C1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 20718352 VKHFFYBFKQQCQG-OAHLLOKOSA-N 395.253 2.941 0 40 GFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccncc2)CC1 21182362 KBNONRSQAMQXNM-UHFFFAOYSA-N 385.411 2.607 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OC(F)(F)F)cc1 23652451 KIDDUFKOTNXEHI-UHFFFAOYSA-N 385.342 2.778 0 40 GFAB CCc1ccc(CN(C)Cn2nc([C@H]3CCS(=O)(=O)C3)oc2=S)cc1 23841707 HBRYNGIADUYLPL-HNNXBMFYSA-N 381.523 2.760 0 40 GFAB COc1ccc([C@@H](CNC(=O)NCc2ccccc2)N2CCOCC2)cc1OC 25220896 JIOHKVSSMYGPKX-LJQANCHMSA-N 399.491 2.577 0 40 GFAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H](Cc1ccccc1)n1cnnn1 27133151 ZSBKLSONUAABJS-HNNXBMFYSA-N 377.326 2.994 0 40 GFAB COc1cc(CNC(=O)CN(C)[C@@H]2CCc3ccccc32)cc(OC)c1OC 29488378 TXMAJAXVKAWTAN-GOSISDBHSA-N 384.476 2.948 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)ccc1OC 30865504 VZZLXAKQMKZEOW-AWEZNQCLSA-N 376.478 2.711 0 40 GFAB COc1cc2c(cc1OC)CN([C@H](C(=O)N1CCOCC1)c1ccccc1)CC2 32751354 SZLHFPXTYUQLHY-QFIPXVFZSA-N 396.487 2.662 0 40 GFAB O=C(CN1CCN(C(=O)c2ccc(Cl)s2)CC1)Nc1cccc(F)c1 35262636 KVPPVEZNVSFDCG-UHFFFAOYSA-N 381.860 2.937 0 40 GFAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(OC)c(OC)c(OC)c2)N1 36025426 COBLTLPBNAVOBY-LPHOPBHVSA-N 396.443 2.970 0 40 GFAB biogenic COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1OC 38729009 NRFAFZVUPWRRRK-RTBURBONSA-N 394.471 2.792 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CN1CCCC1=O 39985479 XWIXHRGKYDTADF-UHFFFAOYSA-N 388.899 2.782 0 40 GFAB CCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 39986827 FIHKIXNUCUMZCG-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB C[C@@H]1CN(C(C)(C)CNC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 40039124 PVRMXGKOPGFWNA-IAGOWNOFSA-N 385.512 2.559 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(OC)cc2)nc1=O 44804311 HIVRGZSSILSNBV-IBGZPJMESA-N 394.431 2.912 0 40 GFAB Cc1c(C(=O)N2CCN(c3ccccn3)CC2)nnn1-c1ccc(Cl)cc1 51317514 XTNVQBJBHMKNAR-UHFFFAOYSA-N 382.855 2.587 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 58132237 CPKIFEFGQXVWGK-HNNXBMFYSA-N 383.452 2.698 0 40 GFAB Cc1cc(C)cc(OCCSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 58228559 QDOWIYGYUFMNBD-AWEZNQCLSA-N 382.507 2.835 0 40 GFAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc2c(c1)OCCCO2 64986872 SDAPJZDMOJXTEJ-UHFFFAOYSA-N 388.493 2.748 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 72241288 FOHFOJLIXRZNPS-QZTJIDSGSA-N 376.815 2.694 0 40 GFAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359551 YWSPGDHGDDNMGK-UHFFFAOYSA-N 380.901 2.783 0 40 GFAB CCOc1ccc(CNC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1F 77663037 AMNPFDQQXGUXOM-INIZCTEOSA-N 379.476 2.525 0 40 GFAB Cc1ccnc(-n2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)n3)cn2)c1 89701871 FDJWNHGABJOWBV-UHFFFAOYSA-N 383.355 2.790 0 40 GFAB Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)s1 96051306 HTRPGQLXFIUXTA-HXUWFJFHSA-N 390.480 2.830 0 40 GFAB CCC(=O)Oc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 96193569 JPUWOKXQWISWAZ-UHFFFAOYSA-N 386.408 2.665 0 40 GFAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)cc1F 96237774 BITUFRUYMROHKA-JOCHJYFZSA-N 381.451 2.697 0 40 GFAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(Cc4ccc(C)s4)C3)C2)nn1 96240539 WTKUHAUXRWMBPI-PXNSSMCTSA-N 388.537 2.875 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)CC1 100166361 DFKCBERYWXRRPT-OALUTQOASA-N 394.512 2.734 0 40 GFAB O=C(c1cscn1)N1Cc2nc3cc(-c4ccc(F)cc4)nn3c(O)c2C1 100215607 FVSDEZNTQPOPIF-UHFFFAOYSA-N 381.392 2.854 0 40 GFAB O=C(NCc1ccco1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100837829 NTXAEMXTNHARBB-FZWBFHRNSA-N 388.423 2.767 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)c1 138536267 UDYCJGSZEMLZJG-UHFFFAOYSA-N 386.379 2.929 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1 222855594 GOAOPBJGUSNWGG-KRWDZBQOSA-N 384.476 2.854 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1OC 222936837 DKWLDFDHDMXOHI-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1Cl 223304147 SQJLBOOQFLWHBE-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1 224680200 RPCBRQNKKDGFAY-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB CC(C)Oc1cccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 224973561 XOFOLVSTMVBUSS-IBGZPJMESA-N 390.505 2.723 0 40 GFAB COc1ccc(OCCNS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 225158559 WFCNBDIRYYRQSP-UHFFFAOYSA-N 391.489 2.940 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225784532 JVEYCBLTGUJFCA-UHFFFAOYSA-N 387.798 2.694 0 40 GFAB COCCOc1cc(C(=O)N2CCN(c3nsc4ccccc34)CC2)ccn1 244970300 HSCZYDMBJKODKO-UHFFFAOYSA-N 398.488 2.679 0 40 GFAB O[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2ccc(F)c(F)c2)C1 247956727 NPVXKNBCAHSKIM-STXHMFSFSA-N 386.446 2.978 0 40 GFAB COC(=O)c1cc(C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c(C)c1 256049836 BRDJBXHFXHVOIG-UHFFFAOYSA-N 377.418 2.816 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCC2)cc1Cl 408555939 XWZYPKZJZRXWQT-GFCCVEGCSA-N 388.917 2.854 0 40 GFAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(Br)c1O 409029947 DKASSDQBZPUPSZ-XFFZJAGNSA-N 385.283 2.973 0 40 GFAB CC1(c2nc(=NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)s[nH]2)CC1 529704841 SIENNKZTQYGIRO-UHFFFAOYSA-N 376.526 2.815 0 40 GFAB C[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)c2ccsc2S1(=O)=O 566950935 VWOSYWKKPPFYAE-XPUUQOCRSA-N 379.385 2.527 0 40 GFAB Cc1ccccc1[C@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 569934768 NNISCNKEMAREQB-OXQOHEQNSA-N 382.460 2.771 0 40 GFAB Cc1nn(CCNC(=O)Cn2c(=O)oc3ccccc32)c(C)c1-c1ccsc1 575616258 YJJXUUHRNTVMSW-UHFFFAOYSA-N 396.472 2.953 0 40 GFAB Cn1c(=O)c(CNC(=O)c2cccnc2OCC(F)(F)F)cc2ccccc21 580057300 FMINHGUEGQIYTA-UHFFFAOYSA-N 391.349 2.805 0 40 GFAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584822476 ZWRWARCKZSWKEL-AYRXBEOTSA-N 392.246 2.991 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CCC(C)C)C[C@@H]23)cc1 585106012 DEYRWSNKQBYVOE-UXHICEINSA-N 383.536 2.694 0 40 GFAB COCc1noc(C2(NC(=O)c3ccc(Cl)cc3Cl)CCOCC2)n1 585142312 SQQIZDSOHDLQGU-UHFFFAOYSA-N 386.235 2.959 0 40 GFAB COC(=O)c1c[nH]c2cc(NC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CN)C3)ccc12 599607479 QHPWCGZBGSXEJG-HZMBPMFUSA-N 398.385 2.946 0 40 GFAB O=C1CC[C@@H](c2cccc(NC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)c2)N1 627756852 CMVXJXXHJBAHNF-HKUYNNGSSA-N 377.444 2.739 0 40 GFAB O=C1CC[C@H](c2cccc(NC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)c2)N1 627756853 CMVXJXXHJBAHNF-IEBWSBKVSA-N 377.444 2.739 0 40 GFAB Cc1ccc(CNC(=O)N2CC(=O)Nc3ccccc3C2)c(N2CCCC2)n1 654524031 QGBFZWGQUQBPRC-UHFFFAOYSA-N 379.464 2.654 0 40 GFAB O=S(=O)(NCC1(c2ccsc2)CCOCC1)c1ccc2c(c1)OCCO2 952990371 YMEIDFUGFAXMEI-UHFFFAOYSA-N 395.502 2.546 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](N(C)C(=O)CCc3nccs3)C2)cc1C 1615610728 GQAXLPFWSCLLMH-MRXNPFEDSA-N 386.521 2.851 0 40 GFAB COc1ccccc1S(=O)(=O)N1CCC(COc2ccnc(C)c2)CC1 1775968270 WDQIPCINHIXDEC-UHFFFAOYSA-N 376.478 2.878 0 40 GFAB COCc1nsc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)n1 1888843198 ZXNKYTFNIVEGKU-PHIMTYICSA-N 385.415 2.671 0 40 GFAB CSc1nc(C2CC2)cc(N2CCN(c3nc(C)nc4c3CCC4)CC2)n1 1888879300 INBOZHIMBMSKAA-UHFFFAOYSA-N 382.537 2.990 0 40 GFAB Cc1cc2c(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)nccn2n1 2086869126 VYSLCYMWGLXKEX-UHFFFAOYSA-N 390.495 2.705 0 40 GFAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 1324806 NLZIPORZWWPJFT-UHFFFAOYSA-N 385.420 2.952 0 40 GFAB Cn1c(CCNC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)nc2ccccc21 79492420 VNTLVQYVSAYTJR-AWEZNQCLSA-N 398.898 2.592 0 40 GFAB CCc1c(C(=O)Nc2ccc(-n3cncn3)nc2)cnn1-c1ccc(F)cc1 24994659 ZPQACWJIGVQPQT-UHFFFAOYSA-N 377.383 2.802 0 40 GFAB Cn1c(=O)c(-c2ccnc(-c3ccccc3)n2)nn(-c2ccc(Cl)cc2)c1=O 1383294 OWMIDRDBCDGXLC-UHFFFAOYSA-N 391.818 2.709 0 40 GFAB COc1ccc([S@](=O)N2CCN(c3ccccc3F)CC2)c(OC)c1C 1403754 YLDXBRPKZGHADJ-AREMUKBSSA-N 378.469 2.996 0 40 GFAB CC(C)CNC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1784937 UIOCJPYQSYYUNZ-GFCCVEGCSA-N 376.526 2.776 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cc(CC2CCCCC2)n[nH]1 57991164 FASIIHLQZDOPQO-UHFFFAOYSA-N 384.436 2.630 0 40 GFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(F)(F)F)n1)C2=O 58156952 LUZRJMFKPDWTIT-UHFFFAOYSA-N 398.385 2.930 0 40 GFAB COc1cc(Cn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc(OC)c1 2121659 HEWHPJHVKRSRQL-UHFFFAOYSA-N 395.415 2.961 0 40 GFAB biogenic CCCC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2122666 JMXPRJWOPQRDJO-CQSZACIVSA-N 375.421 2.721 0 40 GFAB biogenic Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)COc2ccccc21 10540547 NAYRPQJBUIJMPD-UHFFFAOYSA-N 376.416 2.853 0 40 GFAB O=C(C1[C@H]2CCCC[C@H]12)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 100151381 HLDQBCFPGWKEDS-YYFQZIEXSA-N 379.455 2.943 0 40 GFAB Nc1c(C(=O)NC2CC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 2297152 FALMKKZFHGDVIU-UHFFFAOYSA-N 387.399 2.777 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20030372 UZIDOMQJENUPDQ-GETOMWPZSA-N 392.477 2.570 0 40 GFAB COC(=O)CCCCNC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 60126196 OCNPPSKHACDGFV-QFIPXVFZSA-N 398.503 2.983 0 40 GFAB Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2ccc(Cl)s2)c1 95460454 JXMNRTIKGXGYIO-UHFFFAOYSA-N 396.881 2.795 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c1 12624096 XEUURAVYTRQDLE-UHFFFAOYSA-N 385.825 2.929 0 40 GFAB Cc1ccc(CNC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)cc1F 12781189 GQJWNVLQUXCHRQ-ZHACJKMWSA-N 376.453 2.683 0 40 GFAB C[C@H]1CCCN(CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 48309303 XLKJITXBUFJLQH-ZDUSSCGKSA-N 380.432 2.986 0 40 GFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3442191 QLLSODAWGBUDHX-UHFFFAOYSA-N 390.417 2.848 0 40 GFAB CN1CCN(Cc2cccnc2)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306128342 GXVXLGLYLLWKGE-HXUWFJFHSA-N 376.508 2.818 0 40 GFAB CC(C)c1cc(NC(=O)COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)on1 12942152 LJMSTRAHCGZKJQ-GFCCVEGCSA-N 375.356 2.545 0 40 GFAB COc1cc(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)cc(OC)c1 8984557 LRPJFBVCQMHXDY-MDZDMXLPSA-N 390.461 2.575 0 40 GFAB O=C(NCCNC(=O)c1ccco1)c1csc(COc2ccc(F)cc2)n1 13012965 DAYFVCLMOCKDBK-UHFFFAOYSA-N 389.408 2.614 0 40 GFAB CS(=O)(=O)c1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 71281808 KSXSLSRMRLYLLB-CQSZACIVSA-N 375.450 2.819 0 40 GFAB COc1ccc(N(CCC(N)=O)C(=O)Cc2coc3cc(OC)ccc23)cc1 9053125 UVOZJHOLLNZWND-UHFFFAOYSA-N 382.416 2.901 0 40 GFAB CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3C[C@]21O 4046755 AQWWGXGRAWGACC-CBMYKLCHSA-N 377.481 2.647 0 40 GFAB biogenic COc1ccccc1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 5162375 PFNMJRORQGOZGG-MRXNPFEDSA-N 377.437 2.664 0 40 GFAB COc1ccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 306142034 WNKDGLRNSUPCJZ-YADHBBJMSA-N 388.471 2.973 0 40 GFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1cc(Cl)ccc1Cl 4512368 MCUPLIBUCFXMBW-FKFWPICOSA-N 384.215 2.673 0 40 GFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(F)c2)c1 14427638 ATAONDGRISDDET-UHFFFAOYSA-N 391.468 2.929 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)c(Cl)cc12 6659631 ZAUZVRJPAZOMQE-INIZCTEOSA-N 387.819 2.983 0 40 GFAB Cc1sc2nc(N3CCN(C(=O)c4ccccc4)CC3)n3ncnc3c2c1C 9341827 SWYUJYQPORDZAS-UHFFFAOYSA-N 392.488 2.918 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1C 408601210 AMKIXEJEXVYHHE-HOTGVXAUSA-N 390.505 2.938 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1Cl 4815378 SQVIPPASUGEADR-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB COc1ccc(-c2[nH]c3c(c2-c2ccc(OC)cc2)c(=O)n(C)c(=O)n3C)cc1 15085052 USRUQKDCHLRKIB-UHFFFAOYSA-N 391.427 2.917 0 40 GFAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 15044699 VJQKNQNMTHTCCH-HXUWFJFHSA-N 381.476 2.872 0 40 GFAB O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1ccccc1 15228719 HRTOBLRJQZJRQI-NXVVXOECSA-N 379.397 2.684 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(F)c4)ncn3n2)cc1 67208884 BINBMDFFRCJBKN-UHFFFAOYSA-N 391.406 2.898 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCCCOc2ccc(F)cc2)ccc1Cl 7161347 LMSXTTAIHBNGJY-UHFFFAOYSA-N 387.816 2.752 0 40 GFAB Cc1nc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)nn1-c1ccccc1 68091598 LCDCZNBDNSFSMJ-UHFFFAOYSA-N 399.454 2.716 0 40 GFAB CCc1ccc(NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)cc1 7844741 LBFHPCMOICSLAE-UHFFFAOYSA-N 389.525 2.645 0 40 GFAB Cc1cc(C)n2nc(S[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)nc2n1 16710306 OYIRBIWBUGYEQN-MRXNPFEDSA-N 396.520 2.571 0 40 GFAB COc1cccc(CCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 22327260 QBSXFGGXLGJKGA-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COc1cccc(NC(=O)CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)c1 8848820 PIZOUZFXFFRMCT-UHFFFAOYSA-N 396.896 2.693 0 40 GFAB COc1cccc(CNC(=O)CC[S@](=O)c2ccc3c(c2)OCCCO3)c1 72294469 ZSHYDHAWSHRVSW-HHHXNRCGSA-N 389.473 2.671 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2ccccc2s1 72403207 JDBHJGAEDSYQNT-LBPRGKRZSA-N 390.490 2.722 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306125710 CZCUDMHFDTWISD-KRWDZBQOSA-N 385.464 2.778 0 40 GFAB COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 408558222 IUOOBZLEJVJXAZ-LLVKDONJSA-N 398.868 2.663 0 40 GFAB COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 409382299 RIDFQDNDMRASJY-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB COCC1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC2)CC1 1504614448 UCEVSLXVQMRRPJ-UHFFFAOYSA-N 375.517 2.567 0 40 GFAB Cc1nc(C[C@@H]2CCCN(C(=O)C(C)(C)N)C2)cc(Nc2ncc(C)s2)n1 72382940 YPFNREGDSAPTCX-AWEZNQCLSA-N 388.541 2.812 0 40 GFAB NC(=O)[C@@H]1CCCN(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C1 215946593 FBVNHVLVJKHYPL-FEOAFNLJSA-N 383.330 2.834 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CC(c2nc(C3CC3)no2)C1 70637077 GJWLDYGFGHLAOA-UHFFFAOYSA-N 390.284 2.559 0 40 GFAB C[C@H]1C[C@]1(c1nc(=O)o[nH]1)n1c(C(=O)O)cc2cc(Br)ccc21 2362801781 UFKQUKNNNCABIH-ZIDLFYJRSA-N 378.182 2.562 0 40 GFAB COc1cccc(S(=O)(=O)CCSc2ncn(-c3ccccc3)n2)c1 72079942 QQFFFJROVZCJEQ-UHFFFAOYSA-N 375.475 2.842 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)NCCCc4ccccc4)nnc3c2)n1 225745767 VRFRWJXFIZEMQD-UHFFFAOYSA-N 391.435 2.520 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F 223831023 NCKPRZZFYFCDFH-CQSZACIVSA-N 376.403 2.897 0 40 GFAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149606 OJXYCXAAXXSPCN-WOJBJXKFSA-N 399.564 2.769 0 40 GFAB COc1ccc(Cl)cc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225165902 UGSZZLTZOXYWJV-MRXNPFEDSA-N 397.880 2.973 0 40 GFAB COc1ccc(CCNC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1 77101126 FDCKPTFYESDOJR-UHFFFAOYSA-N 382.386 2.897 0 40 GFAB CCSc1ccccc1C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O 77196958 RMIZXGPIBUAAGM-UHFFFAOYSA-N 397.504 2.588 0 40 GFAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC[C@@H]2C)n1 225879494 UOSJIXODRJVXTF-NSHDSACASA-N 375.527 2.713 0 40 GFAB COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCO)c2ccccc2)cc1 223554082 SDHMZEXBSGITTM-FQEVSTJZSA-N 384.476 2.530 0 40 GFAB Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCC2)c2ccc(F)cc2)cc1 95117116 DRMOIIBPWQYTGJ-LJQANCHMSA-N 392.496 2.786 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CCC(N2CCc3ccccc3C2=O)CC1 257319206 VRGZGHVHFMNYPV-UHFFFAOYSA-N 381.476 2.914 0 40 GFAB C[C@@H](C(=O)NC(C)(C)CN1CCC[C@@H](C)C1)N1C(=O)[C@@H](C)Oc2ccccc21 253373714 JXHLWIMWEXMXIB-IXDOHACOSA-N 387.524 2.816 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)[C@H]1O 257264723 LVUKOMCKMSJCOB-BPLDGKMQSA-N 393.369 2.581 0 40 GFAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(C(=O)c3ccncn3)C2)ccc1CO 257298555 RMFOIDPMSAVUOX-OAHLLOKOSA-N 393.447 2.656 0 40 GFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(OCC2CC2)c1 253397441 FQWYLRLAXYAILQ-LJQANCHMSA-N 393.443 2.866 0 40 GFAB COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCCN(C)C)cc1 604405646 UAHLNFASBMFHDA-UHFFFAOYSA-N 398.459 2.980 0 40 GFAB biogenic CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1O 632137527 OGYUCMXXCXPNTJ-OCCSQVGLSA-N 388.917 2.607 0 40 GFAB O=S(=O)(NC[C@H]1COc2ccccc2C1)c1c[nH]c2ncc(Cl)cc12 1666223665 QFOGFEHEYSEONT-NSHDSACASA-N 377.853 2.746 0 40 GFAB NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)C1 664796869 XDMWXNQWVDKGRF-INIZCTEOSA-N 377.448 2.513 0 40 GFAB CC1=NN=C(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)C1 299803724 YGUOFTXYGIBCOT-CMDGGOBGSA-N 375.480 2.989 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 575422618 MEVFHDXUYFVTON-MRXNPFEDSA-N 397.518 2.781 0 40 GFAB O=S1(=O)CC[C@@H](N(CCNCc2cccc(F)c2)Cc2ccc(F)cc2)C1 575420022 DHQIZXGJYGQRKN-HXUWFJFHSA-N 394.487 2.744 0 40 GFAB COc1cc(CN2CCCC[C@H]3CN(c4ncccn4)C[C@H]32)cc(OC)c1OC 72399186 BNJKCCDCCBDEFY-ZWKOTPCHSA-N 398.507 2.993 0 40 GFAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2ccncc2)CC1 57291162 UQQKCKGGPFJLDI-NRFANRHFSA-N 381.476 2.597 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@H]4c5ccccc5[C@@H]([C@@H]3C2=O)[n+]2ccccc24)cc1 5119151 HSVUYOOLMQTDSC-KJJMTIBFSA-N 383.427 2.837 0 40 GFAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1CCN1CCOCC1 15105853 OCKWGKNHZZITOK-JOCHJYFZSA-N 388.471 2.954 0 40 GFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19079465 BLQXLSGGPUNINR-OAHLLOKOSA-N 398.482 2.777 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)c(=O)n1C 19131630 RIABOTXVSXMJCS-ZDUSSCGKSA-N 384.461 2.825 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(CCOc4ccccc4C)CC3)ncc2C1 19237414 KHFBBTOOEQJEBC-UHFFFAOYSA-N 394.519 2.948 0 40 GFAB COc1cc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc(OC)c1OC 19549697 TUAOOHAYMWGOLC-UHFFFAOYSA-N 383.452 2.758 0 40 GFAB CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1nonc1C 19712912 UYTDNJDBYHTXEH-AQNXPRMDSA-N 396.491 2.995 0 40 GFAB CN(Cc1ccncc1)C(=O)C1CCC2(CC1)CNC(=O)c1ccccc1O2 12086815 UEFVNUJCVZDQQY-UHFFFAOYSA-N 379.460 2.791 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)Cc2ccccn2)CC1 13267846 VNCADNIZXLPTOS-UHFFFAOYSA-N 392.434 2.817 0 40 GFAB COc1ccc2nc(CN3CCc4c(nc(-c5cccnc5)[nH]c4=O)C3)ccc2c1 19563705 IFMBYWYHGPGWQT-UHFFFAOYSA-N 399.454 2.947 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc1 19555149 SDHWWONBZOUUTQ-INIZCTEOSA-N 377.448 2.615 0 40 GFAB O=C(Cc1nc2cc(Cl)ccc2[nH]1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 19718989 MNOOXAXZZSNQHO-GFCCVEGCSA-N 386.814 2.820 0 40 GFAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)c1ccc2nsnc2c1 1888897849 LVMUFQYXCTZGEU-UHFFFAOYSA-N 379.367 2.724 0 40 GFAB CC(C)Cc1nc(SCc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4341217 PLJPZHOJLDINAG-UHFFFAOYSA-N 388.468 2.657 0 40 GFAB COc1cccc(-c2nc(SC3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 4341362 ZMEBCSUCDPJGFV-UHFFFAOYSA-N 398.488 2.738 0 40 GFAB COC(=O)c1ccccc1C(=O)Oc1coc(CSc2ncccn2)cc1=O 4377385 MFCAGPHEWLOPNM-UHFFFAOYSA-N 398.396 2.728 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](COc3ccncc3)C2)cc1F 1775971049 MCPHIVCXYWQFDY-CQSZACIVSA-N 380.441 2.709 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38728543 LYWNOZJKHCQZKL-MOPGFXCFSA-N 388.471 2.511 0 40 GFAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 12389319 GZRKZJTZKATKMI-UHFFFAOYSA-N 399.760 2.970 0 40 GFAB Cc1c(C(=O)NCCCn2cccn2)cnn1-c1ccc(C(F)(F)F)cn1 30164974 NDYZQWGMROZHMA-UHFFFAOYSA-N 378.358 2.611 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100033307 MQNMSQFOYXDPNX-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)c(OC)c1 32124483 AMFLHADSPRCBJA-INIZCTEOSA-N 383.404 2.823 0 40 GFAB biogenic CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CCOc1ccc(Cl)cc1 21580491 WAYOVBFBCCTVRJ-KRWDZBQOSA-N 375.856 2.848 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCC1(c2ccccc2)CCCCC1 103130815 DUKNZWCGFBIZIJ-USNOLKROSA-N 392.499 2.812 0 40 GFAB COc1cccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)c1 993366 QUEVJUCOKCXLAK-UHFFFAOYSA-N 399.399 2.928 0 40 GFAB CC/C(NCc1ccc(F)cc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 1269301 WUVQYDREKHJECH-ISLYRVAYSA-N 381.407 2.858 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(OC(F)F)c1 1514798 MVDYIVTVUBXDQP-UHFFFAOYSA-N 377.376 2.995 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1985826 NJVHTCQZVRDTOD-GOSISDBHSA-N 380.444 2.779 0 40 GFAB COCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2276631 MLSICSPCFIOJRQ-UHFFFAOYSA-N 392.415 2.968 0 40 GFAB COc1cc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)ncn1 3647766 LUHALAKTWWCBOS-CQSZACIVSA-N 390.705 2.948 0 40 GFAB COc1ccc(OCCCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 4243735 HXZAZWDUZSZNNI-UHFFFAOYSA-N 399.399 2.611 0 40 GFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)nc2O)cc1 4317287 AWLSOESLRWLCNG-UHFFFAOYSA-N 382.445 2.907 0 40 GFAB CCOC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1cc(C)on1)C(F)(F)F 4452587 ZKKYPQKXZQTTLG-MRXNPFEDSA-N 385.342 2.576 0 40 GFAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1 5033887 SPAFUQMHKYUVRM-LBPRGKRZSA-N 385.449 2.799 0 40 GFAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3c(F)cccc3F)o2)c1 5240554 RGFBNRPSWOJJLK-UHFFFAOYSA-N 379.344 2.671 0 40 GFAB CCCCN(C)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CCCOC 5267597 CXKJGIHSDFVWNP-UHFFFAOYSA-N 384.480 2.866 0 40 GFAB O=C(COc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 6657807 SKDUPZJMSQJWKC-KRWDZBQOSA-N 393.443 2.510 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C(=O)[C@@H]2C)cc1 6789490 UFQAXNNDHIHTGA-ZDUSSCGKSA-N 381.388 2.520 0 40 GFAB O=C(CN1C(=O)CSc2ccccc21)OCC(=O)N1CCCc2ccccc21 7576376 INGYCKYVRBJLCI-UHFFFAOYSA-N 396.468 2.648 0 40 GFAB O[C@H]1CCCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 7653319 MGNZRUQLGFVWLY-PMACEKPBSA-N 377.431 2.888 0 40 GFAB Cc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1C1CCCCC1 7780543 PGDSCUBXQQMIEP-UHFFFAOYSA-N 386.481 2.992 0 40 GFAB C[C@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8010872 LRZCXFIWOGZZCU-OAHLLOKOSA-N 376.478 2.815 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 8247301 VANGMYVKLQVEPW-HNNXBMFYSA-N 382.416 2.864 0 40 GFAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 8298724 OFNIOSJUZRLBFG-WMQCIHAUSA-N 399.514 2.787 0 40 GFAB biogenic,in-vitro COc1ccc(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 8313351 KPMQPUUJORVVAI-KRWDZBQOSA-N 399.472 2.595 0 40 GFAB Cc1nc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)n(C)c2)cs1 9722742 WHSMNIIGEIWGPA-UHFFFAOYSA-N 393.472 2.966 0 40 GFAB Cc1ccc2ncc(C(=O)N3CCN(c4ccccc4Cl)CC3)c(=O)n2c1 9830089 MEPXMDWUJOMVTP-UHFFFAOYSA-N 382.851 2.619 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10313803 AUXUAOABZBEJNT-UHFFFAOYSA-N 389.477 2.759 0 40 GFAB Cc1ccc2c(Cl)cc(Cl)c(OCc3cc(=O)n(C)c(=O)n3C)c2n1 11148347 MYJAVPIIGRWLHE-UHFFFAOYSA-N 380.231 2.826 0 40 GFAB COc1ccccc1N1CCN(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 12515083 FKKDGJHALGBCKF-UHFFFAOYSA-N 397.475 2.617 0 40 GFAB NC(=O)CCn1c(SCc2cn3ccccc3n2)nnc1-c1cccs1 12519838 MNARDRPODCSGJQ-UHFFFAOYSA-N 384.490 2.822 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(Cl)cc1 12529472 HAGHMHOBQSGBCS-SFHVURJKSA-N 396.834 2.924 0 40 GFAB O=C(CNC(=O)c1ccc(OC(F)F)cc1)Nc1ccc2c(c1)OCCCO2 12770696 XRTMNLWLQUITRL-UHFFFAOYSA-N 392.358 2.818 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 12875783 FJYRMQUUHNNYGN-PKOBYXMFSA-N 375.472 2.892 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 12908545 ZJBOQBSNJIENLH-INIZCTEOSA-N 384.407 2.590 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC[C@H]1CCCO1 12911588 QOQGHUCCKGHXJV-CQSZACIVSA-N 393.505 2.846 0 40 GFAB O=C(NCC(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1 13691704 XGSKOFURHWCDIA-UHFFFAOYSA-N 399.878 2.947 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)cc1 13854551 PSVXQNSJCMZMQS-UHFFFAOYSA-N 385.439 2.509 0 40 GFAB C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc(Br)cc1 14077600 FVSNEAKMDSPTKK-NSHDSACASA-N 377.238 2.804 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccccc2F)CC1 15433369 XSQYMCXITCLHSD-UHFFFAOYSA-N 376.453 2.500 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 16248520 PBJDYQHEPUZMGE-VIFPVBQESA-N 384.807 2.969 0 40 GFAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cncn1-c1ccc(F)cc1 16681121 YTIVZVSILYWVHX-UHFFFAOYSA-N 387.440 2.552 0 40 GFAB c1cncc(CN(CCCN2CCOCC2)Cc2ccc3nccnc3c2)c1 19338588 GZYMZLFZXTTXFO-UHFFFAOYSA-N 377.492 2.749 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H](c3nc(-c4ccccc4)no3)[C@H]3CC[C@@H]2C3)cn1 19525005 QCWDVEFLPTWDEL-UXLLHSPISA-N 399.476 2.867 0 40 GFAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCOC)C1 19591435 OINWNDIBRMINFH-NRFANRHFSA-N 386.517 2.959 0 40 GFAB CCCn1c(CN2CCC3(CC2)C[C@H](NC(C)=O)CN3C)nc2ccccc21 19704178 UCZRGCJAGLCQMG-SFHVURJKSA-N 383.540 2.621 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2cc(C3CCNCC3)nn2C)cc1C 19710189 GDTVRJWVDSWKKC-QGZVFWFLSA-N 384.524 2.930 0 40 GFAB CN1CCC(c2nnc3n2CCN(C(=O)CCc2cccc(Cl)c2)C3)CC1 19711279 IFHFFJQHOLUVHH-UHFFFAOYSA-N 387.915 2.716 0 40 GFAB CNC(=O)c1cc([C@@H]2CCN(C(=O)c3scnc3C)C2)nc2ccccc12 19754690 DPXPTHOYPSAHNT-CYBMUJFWSA-N 380.473 2.989 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 20553704 JEZXLOUJGVKYQD-QGZVFWFLSA-N 377.487 2.809 0 40 GFAB Cc1cccc(C)c1OCCOC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 22465250 JWCNPBXBVWGWBF-QHCPKHFHSA-N 398.547 2.878 0 40 GFAB O=C1C(=O)N(CN(Cc2ccc(F)cc2)C2CC2)C(=O)N1Cc1cccs1 23763305 UKYQLKBLXYLNBL-UHFFFAOYSA-N 387.436 2.800 0 40 GFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCc1ccccc1 24258828 CNZJNWCAKSUKRK-UHFFFAOYSA-N 387.432 2.623 0 40 GFAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)C[C@H]3COc4ccccc4O3)ccc21 24659421 XRZTVUVMQHIDMP-INIZCTEOSA-N 393.443 2.637 0 40 GFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(-c4nc(C)no4)cc3)cc12 25081993 VOPFTECJJXUYDB-UHFFFAOYSA-N 377.360 2.960 0 40 GFAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 25332038 GXERFDZJDDMCOE-GOEBONIOSA-N 375.494 2.612 0 40 GFAB CN1C(=O)N(CC(=O)Nc2nc(-c3ccccn3)cs2)C(=O)C12CCCCC2 29256997 PPISIDSVRULIIG-UHFFFAOYSA-N 399.476 2.741 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1Cl)CC(=O)N2 31811779 NZWSOHFDPZFZRC-LLVKDONJSA-N 379.811 2.975 0 40 GFAB O=C1C(CS(=O)(=O)Nc2cccc(C(F)(F)F)c2)=NC(=O)n2cccc21 32611906 RLLCLDRVPFVZOL-UHFFFAOYSA-N 385.323 2.554 0 40 GFAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)[C@H]1COc2ccccc2O1 35313257 VOCMHSNXYHCXNT-RDTXWAMCSA-N 386.448 2.751 0 40 GFAB COc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3c(C)noc3n2)cc1 36617440 MVOAOSISEKTLFS-UHFFFAOYSA-N 394.431 2.544 0 40 GFAB COc1ccc(OC)c([C@H](O)CN2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 36734382 ZHQHRAXXBPQXFL-FXAWDEMLSA-N 390.524 2.852 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1ccc(F)c(Cl)c1 38488430 FHSOUOOPAYWDFX-CYBMUJFWSA-N 399.875 2.833 0 40 GFAB CN1CCN([C@@H](CNC(=O)Nc2cccs2)c2ccc3c(c2)OCO3)CC1 38624922 RFCGVJXFUOVCLX-HNNXBMFYSA-N 388.493 2.587 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cnn(-c2ccccc2)c1 40040358 MFGSDKCLLKDHPY-UHFFFAOYSA-N 387.443 2.700 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NCCCCN3C[C@@H](C)C[C@@H](C)C3)cnc12 40108519 GSFUDYAHMOGEDY-HDICACEKSA-N 398.551 2.969 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40110934 JYXZWHQLLZYPFE-LJQANCHMSA-N 387.823 2.721 0 40 GFAB O=C1C[C@@H](C(=O)NCCC(=O)N2CCCc3ccccc32)c2ccc(F)cc2N1 40122545 VMMOEXNQNGVVGQ-QGZVFWFLSA-N 395.434 2.737 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 41153730 UNJKPZJMWZYXBI-UHFFFAOYSA-N 389.433 2.622 0 40 GFAB CCOC(=O)N1CCN(C(=O)CCc2ccc(OCC)c(OCC)c2)CC1 44884279 VZPWKRNHAYNWCK-UHFFFAOYSA-N 378.469 2.717 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)cn1 48166028 NPNBEMJKIVXRBX-QMMMGPOBSA-N 384.255 2.671 0 40 GFAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(-n4ccnc4)c(F)c3)cnc12 54224396 HHWVPIIIDGNVBA-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB COCCn1c(SCC(=O)N(C)C2CCCCC2)nc2ccsc2c1=O 57425769 URBTUSGJBVCYED-UHFFFAOYSA-N 395.550 2.988 0 40 GFAB O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1ccc(Cl)cc1 57507384 LGXXMQNRJJPQHR-UHFFFAOYSA-N 394.822 2.927 0 40 GFAB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 57682132 NHQUUHIATUUYCS-UHFFFAOYSA-N 396.553 2.961 0 40 GFAB COc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2OC)cc1 59515291 LZJZCBLVTUUHDW-UHFFFAOYSA-N 387.457 2.931 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccccc1Cl 67287289 KRAWFHPFTAMVOR-QGZVFWFLSA-N 377.872 2.997 0 40 GFAB O=C(NC[C@@H](NC(=O)c1ccnc(Cl)c1)C1CC1)c1ccnc(Cl)c1 72060136 MBLQDXDEXLYTPV-CYBMUJFWSA-N 379.247 2.722 0 40 GFAB CC(C)[C@@H](C(=O)Nc1ccc(Cn2cncn2)cc1)N1Cc2ccccc2C1=O 72401365 GMQJVAAKIBXPFG-FQEVSTJZSA-N 389.459 2.946 0 40 GFAB O=C(N[C@@H]1CCSC1=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099936 TXQWMVJKEQWALR-GOSISDBHSA-N 396.516 2.698 0 40 GFAB CCCc1noc(CCC(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)n1 84759049 XAZFDFRBOYXUOQ-UHFFFAOYSA-N 381.816 2.799 0 40 GFAB O=C(NC1CCS(=O)CC1)c1ccc(Cl)c(I)c1 95464757 PYKKQAOGYYYDJL-UHFFFAOYSA-N 397.665 2.586 0 40 GFAB COC(=O)CC1CCN(C(=O)Cc2c(C)n[nH]c2-c2ccc(OC)cc2)CC1 95473227 YLXXPTXLDODYLR-UHFFFAOYSA-N 385.464 2.738 0 40 GFAB CC(C)n1c(CNC(=O)[C@@H](c2ccccc2)n2cnnn2)nc2ccccc21 95479218 QDLJNJMJKIRWTK-LJQANCHMSA-N 375.436 2.510 0 40 GFAB C[C@H](N[C@H](C)CCCN1C(=O)c2ccccc2C1=O)c1nnc2n1CCCC2 95968699 DAACJUKNEOYBAJ-CABCVRRESA-N 381.480 2.730 0 40 GFAB COc1ccc(-c2nc([C@H]3CN(C(=O)c4cccc(OC)c4)CCO3)no2)cc1 96000882 LNMLQQCBJXJEHR-GOSISDBHSA-N 395.415 2.968 0 40 GFAB O=C1[C@H]2Cc3ccccc3CN2C(=O)N1Cc1ccnc(N2CCCCC2)c1 97045663 WLVSFPFSSSRYSO-LJQANCHMSA-N 376.460 2.961 0 40 GFAB O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(Br)c1 101343298 HGQAJIWVKGHGOD-UKRRQHHQSA-N 389.180 2.881 0 40 GFAB COc1ccc(O)c(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 102310070 HWGGUMGIZKNIMR-UHFFFAOYSA-N 380.404 2.866 0 40 GFAB Cc1nc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)nn1-c1ccc(F)cc1 107540580 YFIJUFWETLVVKV-OALUTQOASA-N 379.439 2.890 0 40 GFAB Cn1cncc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 224527723 UEDYXEZHNPXCFB-HXUWFJFHSA-N 391.427 2.955 0 40 GFAB CCc1ccc(OCCNS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 225166491 VMEDGJVJVNOXKI-UHFFFAOYSA-N 377.462 2.701 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)ccc21 225687507 SCDGMMZRNUYPCD-UHFFFAOYSA-N 394.474 2.901 0 40 GFAB O=C(CSc1c[nH]c2ccccc12)NCCn1cnc2ccsc2c1=O 238924350 UMOCGDOJGBABKL-UHFFFAOYSA-N 384.486 2.848 0 40 GFAB Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)c3cn(C)cn3)C2)ccc1CO 257212460 CDMIQLXWLWAFSW-HNNXBMFYSA-N 395.463 2.599 0 40 GFAB Cc1c(C(=O)N2CCCC[C@@H]3N(C)CCC[C@@]32C)sc2ncn(C)c(=O)c12 257271209 MXIBMHGZEWACHM-XOBRGWDASA-N 388.537 2.782 0 40 GFAB O=C(CN1CCOCC1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257319321 VRWDZQILEOFOQP-LJQANCHMSA-N 387.455 2.790 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)c2ccccc2)CO3)cn1 257323415 WKAWOAWUMXXJNN-IBGZPJMESA-N 381.476 2.990 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)ccc1Cl 260746357 WLYPHIDFJXNICR-ZDUSSCGKSA-N 388.917 2.527 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCOC(C)C)C2)c1 260833518 XQAIKBGGIHCHEQ-SFHVURJKSA-N 396.553 2.635 0 40 GFAB O=C(Cc1ccsc1)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306143060 XSAJFGVGETWELY-RTBURBONSA-N 392.484 2.595 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OCC 408698523 QOZLZAUVSIVPAA-AWEZNQCLSA-N 376.478 2.875 0 40 GFAB Cc1ccccc1CNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705275 AYYMEXCTCDLGBS-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408975744 MKAHLCSPCJNTFH-ZDUSSCGKSA-N 384.395 2.869 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCCCC1 409390860 LWQHQTOSNASJMV-UHFFFAOYSA-N 386.901 2.516 0 40 GFAB Cc1c(C(=O)N[C@H](CO)c2ccc(F)cc2)nnn1-c1cccc2cnccc12 552675222 NSPRJSKNOFHBMN-GOSISDBHSA-N 391.406 2.726 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 575402477 BGILEQNBDDGOIL-QGZVFWFLSA-N 382.526 2.599 0 40 GFAB COC[C@@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1Cc1cccnc1 585103746 OAVOYDLAPKLRLV-SFHVURJKSA-N 375.488 2.803 0 40 GFAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H](O)C1)C2 585104137 LUMSSBWHAVZRPK-VQTJNVASSA-N 386.536 2.717 0 40 GFAB CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 604382573 SFMYFMMHHYMGPT-XRXFAXGQSA-N 384.524 2.609 0 40 GFAB biogenic,in-vitro Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3CCCO[C@H]3c3cn[nH]c3)cn2)n1 629265405 RLLPAHCBMDUNPD-HNAYVOBHSA-N 380.452 2.505 0 40 GFAB O=C(c1cnnn1C1CCNCC1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 638470265 WANBXDARYPXVOU-CQSZACIVSA-N 375.423 2.501 0 40 GFAB O=C(c1cc[nH]n1)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643560082 KALZEZPKJHQQMB-JOCHJYFZSA-N 396.491 2.554 0 40 GFAB O=C(NCCC1CCNCC1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 652313269 OVZNWDKNWKPPLG-OAQYLSRUSA-N 394.519 2.925 0 40 GFAB COc1ccnc(NC(=O)c2cn3c4c(c(F)c(F)cc4c2=O)OC[C@@H]3C)c1 1152645974 XNHYZVLSHGWMKC-VIFPVBQESA-N 387.342 2.889 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCC(Cn2nc(C)ccc2=O)CC1 1565522246 FCRUZWUYFYPEDU-UHFFFAOYSA-N 375.856 2.766 0 40 GFAB Cn1c(N2C[C@H]3CN(C(=O)c4cc(C(C)(C)C)n[nH]4)C[C@H]3C2)nc2ccccc21 1888897695 KFUAEFWXKURFTI-GASCZTMLSA-N 392.507 2.802 0 40 GFAB Cn1ccc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)n1 1891374747 XDXBLCKFYKZILY-UHFFFAOYSA-N 399.458 2.840 0 40 GFAB COC(=O)Cn1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 1106131 HMODYNPTYVNQGP-GZTJUZNOSA-N 375.384 2.912 0 40 GFAB COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1OC 1291787 LRHYFNVKDIWFGX-SFHVURJKSA-N 399.451 2.855 0 40 GFAB CCOC(=O)c1cccc(NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 2091386 QFRIMFRVCAMVAJ-ZBFHGGJFSA-N 397.500 2.841 0 40 GFAB biogenic COc1cc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)cc(OC)c1OC 3291195 MWDAWGRNAJTQCS-MDZDMXLPSA-N 399.443 2.628 0 40 GFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 6402137 QLXVLTKEDWYGQH-GOSISDBHSA-N 388.489 2.729 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 6426413 FAHPSMSLNAHYMV-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3nncs3)c2)c1 6681185 DXTKWAIZZFBFCH-UHFFFAOYSA-N 394.503 2.985 0 40 GFAB O=C(NCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 6759813 BFGFHFHYJJEWTJ-OEMYIYORSA-N 398.846 2.531 0 40 GFAB CCOc1ccccc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O 7066121 OUZGRLZKFVFRKW-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)CC1=O 7268732 KLYUVQPDKVLCTK-DOTOQJQBSA-N 380.444 2.997 0 40 GFAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccco2)c2cccnc2)cc1 8026823 OSRBWUULPNEXLH-GOSISDBHSA-N 386.429 2.628 0 40 GFAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2OC)c1 8416712 XRQWVGPWEYNUIJ-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2SC)Oc2ccccc21 10009211 HOVZTEGACCXNIC-MRXNPFEDSA-N 392.502 2.964 0 40 GFAB Cc1ccccc1Cn1c(=O)c2c(nc3n(CC(C)C)c(C)c(C)n23)n(C)c1=O 10233651 FDOUVSHJFQWDLW-UHFFFAOYSA-N 393.491 2.779 0 40 GFAB COc1cc(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)ccc1C 10707647 IQKLXRDMRNWONX-UHFFFAOYSA-N 390.505 2.761 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)OC)c1 11337195 SRNPNZCNXYLYPT-CQSZACIVSA-N 391.445 2.620 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCO[C@@H](C)C3)C2)c2ccccc12 11500242 DVQJBFREBNCJFH-IRXDYDNUSA-N 396.487 2.948 0 40 GFAB CCOc1ccc(NC(=O)C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1 12342518 MPWXYHIHLKIMCM-UHFFFAOYSA-N 393.443 2.888 0 40 GFAB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCCC1 12526762 AAQRFVJWRGQRTH-UHFFFAOYSA-N 395.525 2.658 0 40 GFAB Cn1ccnc1[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(F)c1 12547706 IGZAENQWSFZWHK-LJQANCHMSA-N 376.391 2.920 0 40 GFAB Cc1ccc2nc(CNc3ccccc3C(=O)NC[C@@H]3CCCO3)cc(=O)n2c1 12557416 TWOUEBCZCOMZNF-KRWDZBQOSA-N 392.459 2.524 0 40 GFAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(Cl)cc1 13036715 SWAWWEOMTMIFTQ-UHFFFAOYSA-N 383.770 2.759 0 40 GFAB O=C(NCCCOc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13236430 UGXIWSBMTGLXOQ-IBGZPJMESA-N 381.432 2.932 0 40 GFAB Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)s1 14198653 JDPMGPVSVKTPQJ-SECBINFHSA-N 393.412 2.776 0 40 GFAB CSc1nc2nc(C)c(CC(=O)NCCOc3cccc(C)c3)c(C)n2n1 14226966 ABDZYHGOSLNRKO-UHFFFAOYSA-N 385.493 2.509 0 40 GFAB COc1ccccc1NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858660 QCPJULBAWVEZTR-UHFFFAOYSA-N 388.445 2.650 0 40 GFAB Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cn1 15995899 ROROKCVQLGUPST-UHFFFAOYSA-N 382.445 2.862 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3CN2)c1 17045845 SFAWAHLJXJAUHH-NHCUHLMSSA-N 377.488 2.947 0 40 GFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2oc1=O 18217562 PIBBBQUVKBNEJO-UHFFFAOYSA-N 378.428 2.555 0 40 GFAB COc1cccc(OC)c1CN1CCc2nc3c(C)csc3c(=O)n2CC1 19240294 RSHBNKMCBUIRPZ-UHFFFAOYSA-N 385.489 2.842 0 40 GFAB COCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19240854 GOJNUSWAGKUZAS-GOSISDBHSA-N 381.480 2.769 0 40 GFAB Cc1c(CN2CCN(c3ccccc3[C@H](O)c3nccs3)CC2)cnn1C 19553724 CSBYONGNMSMNAA-IBGZPJMESA-N 383.521 2.589 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cnn(C)c3)cc2N1 19574834 KEZZZLFUWYMBMI-LERXQTSPSA-N 382.390 2.901 0 40 GFAB CN(C)Cc1cc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nn1C 19709005 SBVAIMYSHQWQAG-CQSZACIVSA-N 396.944 2.703 0 40 GFAB CCOc1cc(CN2CCN(C(=O)COc3ccccc3)CC2)ccc1OC 19889228 VONUOBOEBUYTMC-UHFFFAOYSA-N 384.476 2.817 0 40 GFAB CC(=O)c1cccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 20111112 IATRXBXKGKOFLE-ZDUSSCGKSA-N 392.452 2.672 0 40 GFAB C[C@@H]1CCc2sc3nc(SCCN4CCOCC4)n4ncnc4c3c2C1 20479780 PIDLORCHTPKESE-GFCCVEGCSA-N 389.550 2.888 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCc1cc(=O)n2cccc(C)c2n1 21599928 ZBUGUDIOVFFJKM-OAHLLOKOSA-N 389.411 2.561 0 40 GFAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22332758 WHNDIQIJEDFDPN-MRXNPFEDSA-N 390.505 2.955 0 40 GFAB CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1=O 22697045 XVFCWCBXJZDWFE-IBGZPJMESA-N 375.900 2.872 0 40 GFAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCOCC1 23105641 IKGBEUGVRLDVOL-MRXNPFEDSA-N 380.897 2.970 0 40 GFAB COc1ccccc1CNC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O 23126477 ITUIQVUPMRTGMV-UHFFFAOYSA-N 376.416 2.511 0 40 GFAB CCCCCCNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 25342873 DXTANIJNQDMEPB-UHFFFAOYSA-N 394.541 2.723 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccn(C)n1 28226886 IZDXQKDOMOCHJK-SSDOTTSWSA-N 380.168 2.906 0 40 GFAB CSCC[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)c1nc2ccccc2[nH]1 29783949 ANOTVHACGRRTNW-YOEHRIQHSA-N 388.537 2.978 0 40 GFAB CC(C)CCn1c(SCC(=O)Nc2ccn(C)n2)nc2ccccc2c1=O 32903962 GZMBQMXWFMHHDH-UHFFFAOYSA-N 385.493 2.907 0 40 GFAB C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)Nc1nc2ccccc2s1 32931568 WMEQAIMPSBNPLJ-SECBINFHSA-N 386.462 2.981 0 40 GFAB O=C(CCOc1cccc(Cl)c1)NCc1cccnc1N1CCOCC1 33017489 QHMBHIZCMZZPEK-UHFFFAOYSA-N 375.856 2.657 0 40 GFAB CC(=O)Oc1cccc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)c1 33162018 ZBWKAZSWDPXUKG-YBEGLDIGSA-N 397.843 2.944 0 40 GFAB COc1ccc(NC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1OC 38489431 BHKUIODOZNRRMO-UHFFFAOYSA-N 395.463 2.930 0 40 GFAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 40089411 DOYXLXGCQIAXHF-QGZVFWFLSA-N 381.480 2.726 0 40 GFAB CC1=C[C@@]2(Nc3cc(C(C)C)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40546238 XVYCOQNXJOVICV-INIZCTEOSA-N 380.242 2.663 0 40 GFAB O=C(NCCC(=O)N1CCO[C@@H]2CCCC[C@H]21)NC12CC3CC(CC(C3)C1)C2 46483484 AQULPWBLPMNWQL-SSAUXNHXSA-N 389.540 2.815 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCSC3CCCC3)ccc21 46814709 CGPIVZIVEXWDIU-UHFFFAOYSA-N 382.551 2.940 0 40 GFAB COc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 47461951 ZLCDMMKEGFAPKP-UHFFFAOYSA-N 378.469 2.962 0 40 GFAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1nn(-c2ccccc2)cc1OC 48324430 LOUKHPBTWKPYEY-UHFFFAOYSA-N 394.431 2.844 0 40 GFAB Cn1c(SCCCc2nc3ccccc3o2)nnc1[C@@H]1CCS(=O)(=O)C1 54203535 QUTBFVBXCYPSBD-GFCCVEGCSA-N 392.506 2.583 0 40 GFAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccncc1)C3 57142625 ITCJEBJYGIVULZ-UHFFFAOYSA-N 394.427 2.872 0 40 GFAB COCCn1c(SCC(=O)Nc2cccc(F)c2)nc2ccsc2c1=O 57425826 VGUPRIGMUUXDGK-UHFFFAOYSA-N 393.465 2.974 0 40 GFAB CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O 64987514 AJDILFXXNDJGOE-UHFFFAOYSA-N 398.850 2.980 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1cn(C)nc1C 68156168 LTHXGNXJJLRJJL-KBXCAEBGSA-N 384.480 2.609 0 40 GFAB CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2C 72334525 LARZKKIHKNUAGB-NZQKXSOJSA-N 378.472 2.749 0 40 GFAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2N1 78404061 YHDSUBFNGITMQG-CQSZACIVSA-N 375.469 2.693 0 40 GFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1)OCO2 85413057 FDDZEVDOKLZXDP-BEFAXECRSA-N 396.351 2.596 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccccc1)C(C)(C)CO 89761812 JLXXVQXRPUVYHU-LJQANCHMSA-N 398.503 2.734 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)c(C)c1 90610719 AKSISQGQRKFIDF-UHFFFAOYSA-N 384.523 2.588 0 40 GFAB Cc1cc([C@H](O)CCNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)o1 90613458 VXGHCYSPXIRWAK-GOSISDBHSA-N 394.493 2.893 0 40 GFAB CCC(=O)Nc1ccc(C)c(NC(=O)N(C)CC2CCN(C[C@H](C)O)CC2)c1 95408115 FTAITUWCQMUFSF-INIZCTEOSA-N 390.528 2.900 0 40 GFAB COC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)Sc1nc2ccccc2n1C 95447052 QALPBQDYBYWHQJ-INIZCTEOSA-N 395.440 2.503 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95449623 XADIRNBALBQSRL-CZUORRHYSA-N 382.913 2.812 0 40 GFAB CS[C@H]1CN(c2ccc(C(=O)Nc3ccccc3)nn2)C[C@@H]1N1CCCC1 95946025 JLYRAMLGIBZVJP-ROUUACIJSA-N 383.521 2.745 0 40 GFAB CCc1ccc(C(=O)Nc2nc(-c3nccn3C)cs2)cc1S(C)(=O)=O 95980201 PGAMWRDHMKYEOY-UHFFFAOYSA-N 390.490 2.762 0 40 GFAB CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n[nH]2)c1C 96125621 OMWBHPIRMTYQED-QFBILLFUSA-N 384.528 2.904 0 40 GFAB biogenic CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1 96143916 MKDJMGBNBBDDLW-FYYLOGMGSA-N 377.488 2.950 0 40 GFAB CCCNC(=O)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155935 SDVTZHKDCGJRRH-UHFFFAOYSA-N 377.492 2.796 0 40 GFAB CC(C)n1nc(CC(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O 96232452 WGHSEHFODQZHLE-UHFFFAOYSA-N 375.432 2.713 0 40 GFAB COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1C)OC 96385023 YTLRBLIZMGJYNK-SFHVURJKSA-N 392.477 2.628 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)OCC(=O)c1ccc[nH]1 96892607 IAJUKSBVSTVLKQ-NTUHNPAUSA-N 376.415 2.539 0 40 GFAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3CC(C)(C)CN2CCOCC2)cc1 100765376 ASVVRFZYHKXDGV-PMACEKPBSA-N 388.552 2.868 0 40 GFAB O=C(/N=c1/sccn1Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 105113194 AAGNRNMHRUEBAT-ZBBYCGENSA-N 386.498 2.613 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1OC 219493715 VXZBESFPNDSMJK-ZDUSSCGKSA-N 375.421 2.805 0 40 GFAB COc1ccc(-c2noc(CNC(=O)COc3ccc(C)cc3)n2)c(OC)c1 222763583 AMUGFFBUTMCCMO-UHFFFAOYSA-N 383.404 2.757 0 40 GFAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1ccccc1F 224752400 QAZMTPURGHOBCO-UHFFFAOYSA-N 394.468 2.567 0 40 GFAB COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1 224863790 XAQOOMPRBPHCEB-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB COc1ccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)c(OC)c1OC 225238578 ARCXGRFWYWDQMW-GDXASINISA-N 385.416 2.682 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccco2)c2cccs2)c(C)c1 225589489 JKBUPMIDFJKILQ-SFHVURJKSA-N 393.486 2.873 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccccc2)S3(=O)=O)cc1Cl 225938231 SMZXMOVLDJUPIO-XIKOKIGWSA-N 392.864 2.896 0 40 GFAB COc1ccc([C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225944410 YDPGSNXLPNWIGR-UGSOOPFHSA-N 394.468 2.692 0 40 GFAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCCC3)CCN21 253405846 TVRYJPDYUSBLLW-FQEVSTJZSA-N 398.551 2.693 0 40 GFAB biogenic,in-vitro Cc1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1F 253471392 BYGAIBLQKUIGQE-LJQANCHMSA-N 388.420 2.779 0 40 GFAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 260832756 LQTABUUEPYTEJA-YWZLYKJASA-N 386.473 2.859 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2Cl)cc1 408597261 UOPMAUHBAKEPFT-CYBMUJFWSA-N 396.896 2.722 0 40 GFAB Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1C 408733981 UACSDXPGUDFCNJ-ZWKOTPCHSA-N 399.450 2.780 0 40 GFAB C[C@@H]1C[C@@H](CCNC(=O)NCc2ccccc2S(N)(=O)=O)CC(C)(C)C1 502918389 LPMVGVOALTVNLS-HUUCEWRRSA-N 381.542 2.986 0 40 GFAB O=C(C1=Cc2ccccc2OC1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575617814 RIBFUDVNNQTWFK-FQEVSTJZSA-N 383.469 2.851 0 40 GFAB CC(C)C[C@H](C(=O)O)[S@](=O)Cc1cc2c(cc1Br)OCCO2 584824302 URXYZLWYHVIUKV-JLCFBVMHSA-N 391.283 2.968 0 40 GFAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)CC3 585099400 DJJVVKASDJKVJF-LSDHHAIUSA-N 389.521 2.552 0 40 GFAB COCCC(=O)N[C@@H]1[C@H]2CCCN(c3nccc(C(F)(F)F)n3)[C@@H]2C1(C)C 585137563 GLTFPHUGRUZVRT-DFBGVHRSSA-N 386.418 2.642 0 40 GFAB C[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1nc(C2CC2)ccc1=O 585149950 KMLVVGRTJMGGJR-MOTZXUDYSA-N 392.503 2.539 0 40 GFAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 585387671 BOEHQGPWXVXZGL-LBPRGKRZSA-N 384.299 2.751 0 40 GFAB CN(Cc1nnc(O)o1)C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 622115049 GSNSVKFFWZAQES-UHFFFAOYSA-N 391.790 2.514 0 40 GFAB CC(C)(O)C1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)C1 632679915 VCINDDHDXHLIPT-UHFFFAOYSA-N 380.423 2.916 0 40 GFAB C[C@H](NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C)c1ncc(Br)cn1 661233533 APTZARMHMRXTAN-QXFUBDJGSA-N 397.195 2.661 0 40 GFAB COc1ccc(F)cc1C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 677592741 BZWOXBWOFJMKIY-SFHVURJKSA-N 392.858 2.979 0 40 GFAB Brc1cnc(OC[C@H]2CCCN(c3ncnc4c3CCC4)C2)nc1 1775995661 DCBMFVXBZHFZMY-LBPRGKRZSA-N 390.285 2.813 0 40 GFAB Cc1nc(C2CC2)nc(OCC2CCN(c3ncnc4ncn(C)c34)CC2)c1C 1888913731 RBDIGTMTGNLOGY-UHFFFAOYSA-N 393.495 2.943 0 40 GFAB O=C([C@H]1CN(Cc2ccc(Cl)cc2Cl)CCO1)N1CCSCC1 1888914023 HKNIURVNDDMUJX-OAHLLOKOSA-N 375.321 2.770 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037975665 PZOANSJPUUOQMH-QFIPXVFZSA-N 390.443 2.601 0 40 GFAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 928669 FCSLNSBVAPLKFT-UHFFFAOYSA-N 399.432 2.521 0 40 GFAB COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1 1291988 VEMJRQQGDZYQNT-QGZVFWFLSA-N 397.435 2.625 0 40 GFAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1577797 VSXLHXWSMDZSOB-ZBFHGGJFSA-N 376.453 2.634 0 40 GFAB COc1ccc(/C=C/C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 2425593 ROKUXZNKNKGJNB-YXMGTMDOSA-N 375.446 2.517 0 40 GFAB NC(=O)c1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 2656304 KTDBSHOMFCKQRO-UHFFFAOYSA-N 396.259 2.866 0 40 GFAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 3043681 DPEZRPRVDUOXTR-UHFFFAOYSA-N 398.463 2.547 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1ccccc1F 3288592 HHPGSCQQZKLREC-QGZVFWFLSA-N 397.493 2.969 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC=C(c3ccccc3)CC2)cc1 3378231 KJUOHKUUMJDMLI-UHFFFAOYSA-N 384.501 2.931 0 40 GFAB O=C(/C=C/c1ccc(Br)o1)OCc1cc(=O)n2ccsc2n1 3399267 JPUBFVRSNADUPZ-DUXPYHPUSA-N 381.207 2.868 0 40 GFAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 3614757 KRQLYJMDVSRECM-UHFFFAOYSA-N 382.869 2.529 0 40 GFAB COc1ccccc1CN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4029626 NFQIFHMMRSVXPL-QHCPKHFHSA-N 389.455 2.819 0 40 GFAB biogenic CCCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-n1cccc1 4518558 WSXUUIXOCFJDKD-UHFFFAOYSA-N 385.449 2.803 0 40 GFAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc4c(c3)OCCCO4)nc2n1 4523368 PMXWGVNCMNCFFW-UHFFFAOYSA-N 385.449 2.633 0 40 GFAB NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4852047 WQISRTXYCLGUGV-NSHDSACASA-N 381.363 2.662 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885531 TUCKQRDULDVKFJ-VDNWNZSNSA-N 396.418 2.598 0 40 GFAB C[C@@H](OC(=O)c1ccc(Cl)cc1N)C(=O)NCc1ccc2c(c1)OCO2 5118332 YFQRHKJPVXSIDC-SNVBAGLBSA-N 376.796 2.513 0 40 GFAB O=C(CCNS(=O)(=O)c1cccs1)OCC(=O)c1ccc(Cl)s1 5971631 JAJPWVGPGXEEGC-UHFFFAOYSA-N 393.895 2.558 0 40 GFAB CCc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 5984077 WOSSWBJLPIPWAI-HNNXBMFYSA-N 389.473 2.650 0 40 GFAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 6326390 PQJAEOXSIUPWSZ-UHFFFAOYSA-N 390.461 2.644 0 40 GFAB CCSc1nnc(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)s1 6504321 WMUKVCBHPQMFII-UHFFFAOYSA-N 394.503 2.966 0 40 GFAB Nc1nc(COC(=O)c2cc(-c3ccccc3)[nH]n2)nc(Nc2ccccc2)n1 7028758 JRHNBJQSPZDSNJ-UHFFFAOYSA-N 387.403 2.945 0 40 GFAB COc1ccccc1[C@H](CNC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)C 7671201 GNDXIWSNTVUZIH-INIZCTEOSA-N 388.464 2.754 0 40 GFAB biogenic CCOc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)cc1 8433559 NSXUPHHNQRXAFQ-UHFFFAOYSA-N 384.432 2.664 0 40 GFAB COc1ccc([C@@H](c2c(O)c3ccccc3oc2=O)N2CCOCC2)c(OC)c1 8655419 RSGZQOJZYCRBIC-FQEVSTJZSA-N 397.427 2.937 0 40 GFAB COc1cc(OC)cc(C(=O)N(C)Cc2cc3cc(OC)ccc3[nH]c2=O)c1 8917775 KXHGJCACFPGOKH-UHFFFAOYSA-N 382.416 2.826 0 40 GFAB biogenic CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 9115420 SISQSPDFPNXHSZ-DHZHZOJOSA-N 385.427 2.781 0 40 GFAB COc1ccc(C(=O)N[C@H](C)c2cccs2)cc1S(=O)(=O)NC1CC1 9646423 WVCHPWCSMXORHV-LLVKDONJSA-N 380.491 2.688 0 40 GFAB NC(=O)[C@@H](OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 10126469 DNKOKPKBMLXAPM-HNNXBMFYSA-N 377.322 2.825 0 40 GFAB CCOCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10356953 ONXRMIHANZSJJW-UHFFFAOYSA-N 376.478 2.952 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1csc(-c2ccccn2)n1 10390484 DMBHNWDTPRJRTD-UHFFFAOYSA-N 378.413 2.728 0 40 GFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(-n3cccn3)cc2)C1=O 10392295 YJGCUKNVDHKZLR-NRFANRHFSA-N 390.399 2.568 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cnn(-c3ccccc3)c1)n2CCC 10945878 UOVZAXMRVZRDIA-UHFFFAOYSA-N 392.463 2.949 0 40 GFAB CC(C)[C@H](N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 11100375 RWHBDYQWHUDPTJ-KDOFPFPSSA-N 375.494 2.648 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 11637714 OUOWSTQJPCSLSN-UHFFFAOYSA-N 377.853 2.865 0 40 GFAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2oc1=O 11853321 KNDNMIYZPSYJKG-UHFFFAOYSA-N 391.471 2.735 0 40 GFAB O=C(CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)N1CCCCC1 12087221 GEJQQPAMXOVCFA-UHFFFAOYSA-N 392.883 2.736 0 40 GFAB CCOC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CCN(CC(C)=O)CC1 12157111 ZYOGXUNXTOVPBA-MRXNPFEDSA-N 390.455 2.943 0 40 GFAB Cc1oc(C2CC2)cc1C(=O)N1CCC[C@H](c2nnsc2S(C)(=O)=O)C1 12251734 OAYQNUACSKMUSV-LBPRGKRZSA-N 395.506 2.740 0 40 GFAB COC(=O)Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O 12324718 ZIAYYICWZZZXST-UHFFFAOYSA-N 375.384 2.866 0 40 GFAB COc1ccc(CC(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1OC 12406987 WALJBZASWJIHIP-SJCJKPOMSA-N 386.370 2.886 0 40 GFAB Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1CCc1ccccc1 12541330 ZQUNCALJILBFLA-UHFFFAOYSA-N 393.491 2.747 0 40 GFAB COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 12908551 ZJBOQBSNJIENLH-MRXNPFEDSA-N 384.407 2.590 0 40 GFAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCN(Cc2ccccc2)CC1 12939121 OYHIOKSRRJSZIT-FQEVSTJZSA-N 377.488 2.922 0 40 GFAB COc1ccc([C@@H](CNC(=S)NCc2ccc3c(c2)OCO3)N(C)C)cc1 13056108 SHUHQQKXQUHSKN-QGZVFWFLSA-N 387.505 2.691 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(F)cc2)N2CCC[C@H]32)cc1 13571939 QGOXTTHFVIUWDE-IYWMVGAKSA-N 392.430 2.969 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1cccc(C)n1)C(F)(F)F 13810101 FCNFVCBAWVMGFR-QGZVFWFLSA-N 397.353 2.672 0 40 GFAB O=C(c1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 15539366 GQDIIFDZKPIUGX-UHFFFAOYSA-N 394.862 2.848 0 40 GFAB Cc1cnc(-c2nnc(C3CCN(C(=O)Cc4ccccc4F)CC3)o2)cn1 19239228 KXVMFJXTRHRARF-UHFFFAOYSA-N 381.411 2.923 0 40 GFAB Cn1c(CNC(=O)CN2CCC(Oc3ccccc3F)CC2)nc2ccccc21 19289959 ODBOATCLZAKMDR-UHFFFAOYSA-N 396.466 2.872 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N3CCN(C)C[C@@H]3c3ccccc3)CC2=O)cc1 19589332 LVUJVPPZPWRGND-WIYYLYMNSA-N 393.487 2.563 0 40 GFAB O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20453939 YTIGNJBEPROCRQ-GOSISDBHSA-N 390.505 2.570 0 40 GFAB CCCc1nc2oc3c(N4CCN(CCO)CC4)ncnc3c2c2c1CCCC2 20503878 VXFDQOMOGRIZJW-UHFFFAOYSA-N 395.507 2.717 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1c(F)cccc1F 22805218 NEBGQWLKKKEZMQ-UHFFFAOYSA-N 387.430 2.656 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nncs3)[nH]c2c1 22827399 VZHNPLIRWIJCSX-UHFFFAOYSA-N 383.524 2.737 0 40 GFAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCN(C)CC2)o1 22938380 MBPYURYCUXVHAG-QGZVFWFLSA-N 391.899 2.725 0 40 GFAB CCN1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2C1 23053417 VNQWANXIVRHRHL-ZDUSSCGKSA-N 390.534 2.826 0 40 GFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2-n2cccn2)c1 23177250 WFHCOXYZNHSERQ-UHFFFAOYSA-N 399.476 2.549 0 40 GFAB Cc1cccc2nc(CSc3nnc(NC[C@H]4CCCO4)s3)cc(=O)n12 23675202 ICRPUHVUAKASBW-CYBMUJFWSA-N 389.506 2.738 0 40 GFAB O=C(CCC(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 33028369 BCXZEULZNBRZEU-OAQYLSRUSA-N 384.520 2.852 0 40 GFAB Cn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1N1CCOCC1 33039200 XWLCEIXDIJRMJX-UHFFFAOYSA-N 375.429 2.738 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@H]1c1ccc(OC)c(OC)c1 35170113 DJLDNRSVAOHKQQ-LJQANCHMSA-N 383.404 2.879 0 40 GFAB Cc1ccc(F)cc1NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 35312053 WNGOBRPJCPVNGM-UHFFFAOYSA-N 380.427 2.965 0 40 GFAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NCc3ccccc3)ccc21 36357037 NAMAHPAFBUGLSG-UHFFFAOYSA-N 376.338 2.847 0 40 GFAB Cc1ncsc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 40106479 RQQKGAPIKZYXER-UHFFFAOYSA-N 379.507 2.556 0 40 GFAB C[C@@]1(c2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)NC(=O)NC1=O 40110849 SGRWBEPOBUBOLD-NRFANRHFSA-N 376.416 2.794 0 40 GFAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(OC)ccc2OC)c1C 40128546 JDJZMWABOPQIEC-UHFFFAOYSA-N 376.409 2.704 0 40 GFAB COC(=O)CCNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 41097938 KQGIAQIZOZRYJQ-UHFFFAOYSA-N 383.832 2.854 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2cc(OC)ccc2OC)ccc1Cl 44330303 PAPVGZOOJLJTPO-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1nnc(-c2ccco2)s1 48250830 MTMLQGUCISZGHH-UHFFFAOYSA-N 389.418 2.705 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)C1=O 48344900 DWYYABAQHIXYJM-KRWDZBQOSA-N 375.469 2.619 0 40 GFAB CSCC[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1nnc2ccccn12 53794786 SMWFMTXVFMMMMN-INIZCTEOSA-N 393.472 2.795 0 40 GFAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 57426606 ANISDEZUDSBVDR-UHFFFAOYSA-N 377.510 2.720 0 40 GFAB Cc1nc(CSc2nnc(Cn3nnc(-c4ccsc4)n3)o2)oc1C 58163660 RZKNPBQXBBHUHJ-UHFFFAOYSA-N 375.439 2.730 0 40 GFAB CS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 59489605 MCIRLQKWHRBBBR-UHFFFAOYSA-N 397.503 2.669 0 40 GFAB C[C@H]1C[C@@H](C)CN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 65523077 GONRLJUQFHLLBM-KSZLIROESA-N 376.520 2.929 0 40 GFAB CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(OC)c(OC)c2)c1 72280777 MEHYNTKZQNDOCB-UHFFFAOYSA-N 381.425 2.567 0 40 GFAB CCn1cnc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1 72310242 SYUZGSMSDCSJDE-UHFFFAOYSA-N 382.873 2.593 0 40 GFAB COc1ccc(/C=C/C(=O)NCCc2csc(-n3cccn3)n2)cc1OC 90609462 XTGWEJJBFRBJQY-FNORWQNLSA-N 384.461 2.718 0 40 GFAB Cc1sc2nc(CN3CCN(C(=O)c4ccsc4)CC3)[nH]c(=O)c2c1C 95376475 MFYPOFZLYJQFND-UHFFFAOYSA-N 388.518 2.621 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccnc2Br)CC1 95428311 HKFGDIBHENYVBG-UHFFFAOYSA-N 385.262 2.929 0 40 GFAB O=C(O)c1cnn([C@@H]2CCCN(C(=O)c3ccn(-c4cccc(Cl)c4)n3)C2)c1 95453982 YOVMAIVMJBTDFK-MRXNPFEDSA-N 399.838 2.898 0 40 GFAB C[C@]1(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCCCN1C(=O)c1ccccc1 95469354 PHLQOIKLWQDZAK-OAQYLSRUSA-N 378.432 2.880 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Oc2ccccc2O[C@H]1C 95469843 JNLMUWDUSQXGSH-ORAYPTAESA-N 379.416 2.500 0 40 GFAB CS[C@H](CO)[C@@H](C)NC(=O)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95982698 RNTPJTMFVAQAFE-RBSFLKMASA-N 388.574 2.888 0 40 GFAB CC(C)c1nc([C@@H]2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)no1 96000517 NZZZIYIFFAXPQL-AWEZNQCLSA-N 385.873 2.750 0 40 GFAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 96036859 NUORIVCPNGOENW-KRWDZBQOSA-N 388.537 2.703 0 40 GFAB Cc1cc(C(=O)N2CCC3(CCN(C(=O)Cc4cccnc4)CC3)C2)c(C)o1 96046677 JZMWFHSRVXOBAY-UHFFFAOYSA-N 381.476 2.989 0 40 GFAB O=C(COc1ccccc1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96078190 QPJXSZSJTRBLEE-UHFFFAOYSA-N 395.503 2.602 0 40 GFAB COCCN(C)c1nc(C2CCN(C(=O)c3ccoc3)CC2)cc2c1ncn2C 96099967 VUQKWVZJBQBSIR-UHFFFAOYSA-N 397.479 2.664 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2cccc(C)n2)CC1 96119570 BTTGERHXKZQGSX-UHFFFAOYSA-N 380.441 2.770 0 40 GFAB O=C(NCc1cccnc1)c1nc(-c2cn(-c3ccccn3)cn2)n2ccccc12 96155067 CUJXOODFPHXGKZ-UHFFFAOYSA-N 395.426 2.907 0 40 GFAB CCN1Cc2c(C(=O)N(C)c3ccccc3)ncn2-c2ccccc2S1(=O)=O 96266142 QOSUQQDHBVRUAZ-UHFFFAOYSA-N 396.472 2.673 0 40 GFAB CN(Cc1cnn(-c2ccccc2)n1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 97020600 QMWTWYBOIMWVSR-QGZVFWFLSA-N 388.880 2.881 0 40 GFAB Cc1[nH]c2nc(NC(=O)c3ccccc3F)nn2c(=O)c1Cc1ccccc1 100650713 IBOIYKWOBRSKRT-UHFFFAOYSA-N 377.379 2.708 0 40 GFAB O=C(c1ccccc1F)N1CC[C@@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745488 ROLLPIXTKSVNCG-GFCCVEGCSA-N 380.379 2.719 0 40 GFAB O=C(NCCCN1CC=CC1)c1ccc(Cl)cc1I 101449024 FLTNJCRHRMYVDN-UHFFFAOYSA-N 390.652 2.936 0 40 GFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102088199 BIKOHLLBMQDSFE-TZHPCZLDSA-N 391.265 2.807 0 40 GFAB Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)o1 104577632 WNWLFAHYKYDPSC-UHIISALHSA-N 390.408 2.918 0 40 GFAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218503084 KAYIDUZEWTVDAI-ZWKOTPCHSA-N 378.925 2.746 0 40 GFAB Cc1ncn(CC(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)c(=O)c1C 219324949 GWNROSLHMBHEBM-KRWDZBQOSA-N 393.459 2.845 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(C)=O)cc1OC 222745293 CISQYHBSRPKFDJ-INIZCTEOSA-N 384.476 2.800 0 40 GFAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)s1 223611185 KMAPZCIKNPQDMT-NSHDSACASA-N 382.511 2.531 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 224000030 UTUTUDOYJLMMEQ-INIZCTEOSA-N 384.476 2.800 0 40 GFAB Cc1cc(C(=O)Nc2nnc(SC(C)C)s2)ccc1NS(C)(=O)=O 224856751 POHAUTWCGIXNAD-UHFFFAOYSA-N 386.524 2.971 0 40 GFAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 225523607 QWFXXEVTGGRAAD-ZDUSSCGKSA-N 388.530 2.772 0 40 GFAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729806 HHEJCGQCJOMBAF-UHFFFAOYSA-N 375.354 2.939 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)C)C2)cc1C 226049030 KCAQEOBTJZPWPK-OAHLLOKOSA-N 382.526 2.567 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)NCc1cccc2ccccc12 245227582 PLYFRCIGULBKGZ-OVMLJTRSSA-N 386.451 2.509 0 40 GFAB CC(C)c1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257203300 APLGOGSSKXVMRX-OALUTQOASA-N 381.480 2.581 0 40 GFAB O=C(COc1ccc(F)cc1)N1CC[C@H](c2ccnc(Nc3ncccn3)n2)C1 257306732 SVORDNBFPFOVRP-AWEZNQCLSA-N 394.410 2.544 0 40 GFAB O=C(COc1ccccc1)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 306143353 XZZJACVFRWWJGY-GMAHTHKFSA-N 395.503 2.790 0 40 GFAB O=C(NC[C@@](O)(c1ccoc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 390827497 YRYKMCDKWDQUER-GOSISDBHSA-N 392.770 2.656 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 408595131 TZRQGMONRQKRJU-UHFFFAOYSA-N 389.477 2.801 0 40 GFAB Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)o1 535201386 MNWSMWVPXGVFNL-CQSZACIVSA-N 387.461 2.646 0 40 GFAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575421024 HKHIOQQQLYHIMM-WMLDXEAASA-N 381.519 2.816 0 40 GFAB Cc1cc(=O)c(C(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)cn1C 583388112 IGEADDFMZNKCJB-MRXNPFEDSA-N 376.460 2.593 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585104635 JZCPOHBHBKVPEI-GOSISDBHSA-N 379.497 2.898 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(O)C1)C2 585106894 KTJRVFQCQOFMGL-XWTGJVNOSA-N 380.492 2.547 0 40 GFAB Cc1cc(OCC(=O)NCCn2nc(C3CC3)ccc2=O)cc(C)c1Cl 585149955 MXWUFYMJOMZYQO-UHFFFAOYSA-N 375.856 2.586 0 40 GFAB CCCN1CCN(C(=O)CO)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172753 FAPBOLLIVNAKOX-NRFANRHFSA-N 394.515 2.894 0 40 GFAB COc1ccc(Cn2nnc(C(=O)Nc3cccc4c3CCNC4)c2C)cc1 653050325 RESJPRREOOXPDH-UHFFFAOYSA-N 377.448 2.541 0 40 GFAB O=C(NCc1ccncc1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595483 AMIWMHQQTNXWBL-DYXWJJEUSA-N 381.451 2.929 0 40 GFAB COc1ncccc1C(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009309 CRGJAQAQMFECNY-UHFFFAOYSA-N 382.342 2.583 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037989200 YXJQTWKTONJJEN-LJQANCHMSA-N 396.409 2.986 0 40 GFAB CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1OC 78878504 NZAQIUZBANNCKM-HNNXBMFYSA-N 396.915 2.932 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 1368280 VOMAXTBUFOVQAG-HUUCEWRRSA-N 388.555 2.669 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 24443767 QHTVKVSVYHWZHK-FQEVSTJZSA-N 386.517 2.674 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccccc2)ccc1F 3240074 RMPXDUOHPYWMAO-UHFFFAOYSA-N 393.436 2.896 0 40 GFAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(-n3ccnc3)nc2)c1 24900312 ANSJGIXJAQXPFW-UHFFFAOYSA-N 381.461 2.886 0 40 GFAB COc1cccc(NC(=O)C[C@H](CN2CCN(c3ccccc3)CC2)C(=O)O)c1 61721236 DBPUNFZRGVDLMT-QGZVFWFLSA-N 397.475 2.547 0 40 GFAB CC(C)[C@H](OC(=O)CCC(=O)Nc1nccs1)C(=O)NC1CCCCC1 4911035 KEHZQTOTUGHQPF-INIZCTEOSA-N 381.498 2.879 0 40 GFAB COc1cccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)c1 6022567 BQZSQLJSHLQGBB-UHFFFAOYSA-N 384.417 2.922 0 40 GFAB CC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 7158250 YBRIEQQWLZXRBE-UHFFFAOYSA-N 397.456 2.950 0 40 GFAB O=C(Nn1cnc2ccccc21)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 27042078 LDNPQSYGUPKQAP-CYBMUJFWSA-N 387.486 2.699 0 40 GFAB CSc1cccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 12525697 AFGCPFWGYXLEDZ-UHFFFAOYSA-N 389.502 2.942 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(F)cc3)cc2c1 8716794 OHOYVLMIQYGWPT-UHFFFAOYSA-N 384.407 2.701 0 40 GFAB CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 44505944 PFPYEQKIMKKGRB-OAHLLOKOSA-N 384.567 2.629 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2ccc(F)cc2)cs1 9883430 SBVQCJFGKVDQSX-UHFFFAOYSA-N 396.403 2.591 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(C)cc2)n2nnnc2N3)c1 10296765 YVVFUROIDNQPIM-GOSISDBHSA-N 387.403 2.847 0 40 GFAB COc1cccc(C2=NO[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]23)c1OC 102897311 CXZZROQEYUOPBU-QFBILLFUSA-N 380.400 2.613 0 40 GFAB Cc1cc(NC(=O)c2cccc(Br)c2)n([C@@H]2CCS(=O)(=O)C2)n1 57682847 AAHPKLLLXCMBSJ-CYBMUJFWSA-N 398.282 2.566 0 40 GFAB CCCC[C@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2121328 FTGIVXSPVFBEPW-HNNXBMFYSA-N 387.432 2.729 0 40 GFAB biogenic CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cc(OC)cc(OC)c2)C1 58325468 XVHXPBGPPBQTBU-LJQANCHMSA-N 397.431 2.840 0 40 GFAB COc1ccccc1CCC(=O)Nc1c(-c2ccccc2)ncn1CC(N)=O 58324923 XKYBLRSBRMUKAO-UHFFFAOYSA-N 378.432 2.615 0 40 GFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 71285579 XXBJIQYOJZPTHS-HUUCEWRRSA-N 377.404 2.829 0 40 GFAB CCOC(=O)C[C@@H](c1cccc(OC(C)C)c1)c1oc(CO)cc(=O)c1O 71282124 ODQOWSLYLRLZOP-INIZCTEOSA-N 376.405 2.710 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cl)c1 28248858 KSUBUVNZPLGNGE-UHFFFAOYSA-N 385.825 2.945 0 40 GFAB Cc1ccc(SCC(=O)NCc2ccc(CS(N)(=O)=O)cc2)c(C)c1 10706065 STCFCCAAMWHINJ-UHFFFAOYSA-N 378.519 2.500 0 40 GFAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F)C(C)C 36579935 AZTZYKWVSLFEMM-WBVHZDCISA-N 392.406 2.543 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 113940155 FLEKKSLRNLYZGE-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB COC(=O)CCCCNC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 60126201 OCNPPSKHACDGFV-JOCHJYFZSA-N 398.503 2.983 0 40 GFAB CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N[C@H](C)c3ccccc3)n2)c1 58070086 UYYJXASIQTXLNW-OAHLLOKOSA-N 393.447 2.783 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2snnc2C)c(C(=O)OCC)c1C 11914120 PMQRESPCYAQCHF-UHFFFAOYSA-N 383.451 2.822 0 40 GFAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 84549367 POBFUTVDSJCTFF-MJGOQNOKSA-N 383.423 2.714 0 40 GFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 12390541 STUSHGYZISJVPV-QGZVFWFLSA-N 389.452 2.855 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1 3302345 NZEBHPYONNWNCJ-UHFFFAOYSA-N 398.459 2.800 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc3n2CCCCC3)c1 12983858 OQRISDXRWRISKF-ZDUSSCGKSA-N 390.509 2.991 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9155753 ZPWMHISTXKHWPQ-YOEHRIQHSA-N 387.436 2.519 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 408653234 DQPUODCXLILNCA-OAHLLOKOSA-N 382.416 2.620 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1 13360039 OTTPTDZHIDWECQ-UHFFFAOYSA-N 390.461 2.599 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1nccs1 13609168 CZCOJQWWEUKMME-ABAIWWIYSA-N 387.465 2.665 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC3 13725308 CGEXJNOTTNEUQC-UHFFFAOYSA-N 399.472 2.882 0 40 GFAB C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4301992 LZDWORRQIIONQK-KGLIPLIRSA-N 397.880 2.916 0 40 GFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 9340934 IKKYIYUGRDLJNV-UHFFFAOYSA-N 379.747 2.805 0 40 GFAB O=S1(=O)CC[C@H](Cc2nnc(SCc3nc4cc(Cl)ccc4[nH]3)o2)C1 97165097 DADWONRFSHNANV-SECBINFHSA-N 398.897 2.869 0 40 GFAB COc1ccc(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nn[nH]n2)c(OC)c1 9434367 KBCFDEUEDFREPD-QGZVFWFLSA-N 381.436 2.799 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccc(C)c1)n2CCC 6648254 IUFARKVABQMZMJ-UHFFFAOYSA-N 398.463 2.762 0 40 GFAB Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc2c(c1)OCO2 4736382 VONDVWLMUUNFBJ-UHFFFAOYSA-N 393.428 2.740 0 40 GFAB Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1cccc(F)c1 5675167 RXVLDAOAZCHOOS-UHFFFAOYSA-N 375.473 2.897 0 40 GFAB COc1ccc(OCCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 7025131 MKSQFYBCYOPNOI-UHFFFAOYSA-N 380.379 2.809 0 40 GFAB Cc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)no1 67499173 LDZSTFRIQGKTCI-GFCCVEGCSA-N 392.253 2.723 0 40 GFAB CCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 67492526 MJPNHNJBMMFFHA-HXUWFJFHSA-N 393.487 2.917 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 113947113 PCKXUAHOAPNLQN-HNNXBMFYSA-N 393.484 2.624 0 40 GFAB Cc1noc(C)c1CN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 96524722 ASJNDXYNTIUJQK-UHFFFAOYSA-N 389.463 2.743 0 40 GFAB O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 68674064 VRXZPQZHQFBBLG-HNNXBMFYSA-N 396.369 2.652 0 40 GFAB Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8078937 JXQDWNRWMZZULD-INIZCTEOSA-N 392.452 2.844 0 40 GFAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)o1 8193577 LSYZULBDXCDMMQ-HNNXBMFYSA-N 393.509 2.606 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 8273786 TVHKSRPJMSTXRX-QGZVFWFLSA-N 395.459 2.949 0 40 GFAB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccc(Br)cc2)cc1 20151949 ZGOOBIBHSRGUJL-UHFFFAOYSA-N 393.262 2.952 0 40 GFAB C[S@@](=O)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 83990116 ACFXYGRIOXBXJW-KOZYPVJLSA-N 396.940 2.608 0 40 GFAB CCN(Cc1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1)C1CC1 69711732 XWAQAZWMMLOKEZ-HXUWFJFHSA-N 385.552 2.855 0 40 GFAB CC1(C)C[C@@H](NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)CCO1 70666455 LFPMWWOGEGYOIL-LBPRGKRZSA-N 377.437 2.589 0 40 GFAB biogenic C[C@H]1Sc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2NC1=O 8713417 CXQDJYZAJDSXTE-SECBINFHSA-N 391.836 2.963 0 40 GFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(Cn2cccn2)cc1 8776005 CPDKXLIBWGWZKF-QGZVFWFLSA-N 392.459 2.863 0 40 GFAB COc1ccc(C(=O)CNC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)cc1 95474232 IJKPOVUTHMXUMX-UHFFFAOYSA-N 393.443 2.528 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)COc3cccc(N4CCCC4=O)c3)cc2NC1=O 95947508 IZZSVQINENZBBQ-ZDUSSCGKSA-N 395.415 2.550 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408617853 DQQXMKONXXVDAK-NSHDSACASA-N 398.868 2.663 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408594428 RSKBHTZCABCROT-AWEZNQCLSA-N 392.477 2.790 0 40 GFAB COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871657 QVGCJSLXZSQEOT-UHFFFAOYSA-N 390.461 2.630 0 40 GFAB C[C@@H](CCNC(=O)c1nc2ncccn2n1)n1nc(C(F)(F)F)cc1C1CC1 36618819 SSETWRUWRPOUPU-JTQLQIEISA-N 393.373 2.598 0 40 GFAB Cc1cccc(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 30064102 KWZXZOOOSWWLAX-HNNXBMFYSA-N 388.489 2.602 0 40 GFAB CCOC(=O)C1(O)CCN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 506473083 WTSZFSXDPZGYPH-UHFFFAOYSA-N 396.415 2.619 0 40 GFAB CC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)c2)CC1 35828514 DRDFXEVXMGDVFY-RSRPTUBKSA-N 382.460 2.695 0 40 GFAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOc2ccccc21 30577570 JPWYKTKQCUCMLC-UHFFFAOYSA-N 386.473 2.513 0 40 GFAB O=C(Nc1ccc2c(c1)OCCO2)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 8381921 GJSACNIIXRRSHE-MRXNPFEDSA-N 381.388 2.757 0 40 GFAB biogenic COc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1 36109168 HQSBCEHLFARSMJ-IBGZPJMESA-N 377.444 2.796 0 40 GFAB O=C(Cn1cc(-c2ccccc2)nn1)N1CCNC[C@@H]1c1ccccc1Cl 565417621 GGLKNUNOJOAMKS-LJQANCHMSA-N 381.867 2.772 0 40 GFAB C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 38828357 MWPCNQOYOXXVBU-YDHLFZDLSA-N 395.463 2.602 0 40 GFAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 224217163 ALDZAELYFLARFE-QFBILLFUSA-N 390.505 2.511 0 40 GFAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 223123703 CCIJXKPUVVRGDI-RTBURBONSA-N 378.538 2.804 0 40 GFAB CCc1cccc(C)c1NC(=O)Cn1nc2c3cccc(C)c3ncn2c1=O 44166079 OEZRUGOBIXJGAJ-UHFFFAOYSA-N 375.432 2.862 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220520686 BAQIIULKNQQSNH-SFHVURJKSA-N 378.469 2.995 0 40 GFAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 236921459 KJPMRWCWYFWKOU-AWEZNQCLSA-N 386.370 2.648 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(CSc2nccn2C)CC1 90608235 LAAQEPHGHKBELM-UHFFFAOYSA-N 399.513 2.761 0 40 GFAB COc1ccc(-c2ccc(=O)n(CN3CCO[C@H](c4ccccc4)C3)n2)cc1 604418863 NLWJRNYYSHJMPU-NRFANRHFSA-N 377.444 2.950 0 40 GFAB O=c1c(Cl)c(N2C[C@@H]3CC[C@H](C2)N3)cnn1-c1cccc(C(F)(F)F)c1 630556949 FJUORUYMRJTUGS-TXEJJXNPSA-N 384.789 2.845 0 40 GFAB C[C@@H]1[C@H](NC(=O)N2CCC(c3ccon3)CC2)CC(=O)N1Cc1ccccc1 661127073 SKKKMVFRKJWWSR-DNVCBOLYSA-N 382.464 2.753 0 40 GFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)NC1CC1 28372587 KZLGOVIPAZAVPA-CQSZACIVSA-N 397.504 2.976 0 40 GFAB CONS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 59006558 QHRMGGUVYQBFDH-OAHLLOKOSA-N 396.465 2.632 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(OC)c(OC)c2)cc1 56333557 FZYVQJYAFFWLGO-UHFFFAOYSA-N 393.465 2.787 0 40 GFAB Cc1cc(C)[n+](-c2cccc(S(=O)(=O)Nc3nnc(S)s3)c2)c(C)c1 5260093 AMBYQNLPDVUTBU-UHFFFAOYSA-O 393.539 2.830 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCSc2ccc(C)c(C)c2)c1 13012903 AGQZJPNPPHLVAG-UHFFFAOYSA-N 378.519 2.734 0 40 GFAB CCCNC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 13584858 REVQGIVPEWSRCR-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc2c(c1)OCO2 17305795 WTOCVJNSMYJYOJ-AWEZNQCLSA-N 379.420 2.628 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)CC[C@H]3CCCO3)CC1)O2 19219152 KPQZZZQPXKNOKG-PSCUFVCCSA-N 386.492 2.874 0 40 GFAB CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 19502124 GMHZTUATHNAEMF-MOPGFXCFSA-N 376.549 2.644 0 40 GFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)C(C)C)CCO1 19529214 WIUYKGBHCICWOW-HSZRJFAPSA-N 395.503 2.681 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)Nc1nnc(CCc2ccccc2)s1 19658341 SGNMXJFPOIZAMW-UHFFFAOYSA-N 391.456 2.672 0 40 GFAB Cc1cc(CN2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)no1 22799015 WLSTUMHTMQYIQD-UHFFFAOYSA-N 382.386 2.758 0 40 GFAB NC(=O)NCCCCC(=O)Nc1ccc2c(Br)ccc(Cl)c2n1 582250888 GJZVGWBGGHXJHE-UHFFFAOYSA-N 399.676 3.428 0 40 GFAB Cc1ccccc1CN(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 30887970 ODIOJYBBEAKAMI-UHFFFAOYSA-N 389.473 2.589 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1 5636285 MQMFHGYDGLRILT-UHFFFAOYSA-N 392.477 2.743 0 40 GFAB CCc1cnc(N2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)nc1 1888897577 BWGSNJYWKCIQEX-UHFFFAOYSA-N 381.509 2.896 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 24003609 KPGQBXBQYKACOF-LBPRGKRZSA-N 392.864 2.735 0 40 GFAB O=C(O)c1ccc(CNC(=O)c2cccc(I)c2)cc1 13091829 HSJAXJAFBMENBC-UHFFFAOYSA-N 381.169 2.919 0 40 GFAB Cc1cc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)n2)no1 238928734 UWPJVSWQCAHFFG-UHFFFAOYSA-N 389.220 2.818 0 40 GFAB Cc1nc(CN2CCC[C@@]3(CCCN(C(=O)C4=CC=NC(=O)C4)C3)C2)cs1 2056223928 HYBDXRMPJGZFSE-HXUWFJFHSA-N 386.521 2.584 0 40 GFAB O=C(NC[C@@H]1CCCO1)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 3043592 NIWIQFVWIMRSGU-HNNXBMFYSA-N 381.457 2.957 0 40 GFAB CC(C)OCCCN[C@H](CC(=O)Nc1ccccc1Br)C(=O)O 5258478 MXWNGUKOFZSALA-CQSZACIVSA-N 387.274 2.636 0 40 GFAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccccc1Cl 9660997 QIGHTGPPDCVUJL-UHFFFAOYSA-N 389.864 2.542 0 40 GFAB COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)N4CCCC4)sc(=S)n3c2c1 6659439 BQRFUZNPCJCUFR-UHFFFAOYSA-N 389.458 2.594 0 40 GFAB COc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)cc1OC 40283126 SSLXYONFTISIGZ-UHFFFAOYSA-N 398.390 2.958 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC 32771277 JLABBTMIEYTGEV-GOSISDBHSA-N 381.425 2.605 0 40 GFAB C[C@@H](OC(=O)CCNC(=O)c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 21747166 GIDITEYCFNRYDT-PBHICJAKSA-N 384.432 2.525 0 40 GFAB CCOC(=O)Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 32919154 PRISCWSZBHSIQU-SJORKVTESA-N 395.459 2.605 0 40 GFAB Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1S(=O)(=O)N1CCOCC1 33241609 ZMMVAWMTDNKCEI-UHFFFAOYSA-N 399.472 2.750 0 40 GFAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccc(C(C)=O)c1 104371487 OVSRVGJDTXKAQN-YBFXNURJSA-N 380.400 2.548 0 40 GFAB COc1cccc(CN(C)[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 23058464 BCLIZCCPHQYCHP-LJQANCHMSA-N 381.520 2.860 0 40 GFAB COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(C(C)=O)c2)c1 783281 GCNGRHZCGCWTSB-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324733 HQRZZDUKEZJFEX-AWEZNQCLSA-N 378.425 2.535 0 40 GFAB CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(OC)cc1)SCC2 2719877 HACFZLKPIVLXCH-UHFFFAOYSA-N 378.475 2.545 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)C(F)(F)F 2748880 YECMJSNYUYDBPM-UHFFFAOYSA-N 396.350 2.931 0 40 GFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 106364802 NJHHEUJPFNECSC-IBGZPJMESA-N 390.487 2.860 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4338027 NVTSUDBFZGAADK-JKIFEVAISA-N 396.390 2.661 0 40 GFAB Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)cc1 4861363 GYBGBROIRHHZND-UHFFFAOYSA-N 387.505 2.734 0 40 GFAB CCOC(=O)c1c(NC(=O)Cn2cnc3ccccc3c2=O)sc2c1CCC2 6086787 BJAOFUXHJYXYHK-UHFFFAOYSA-N 397.456 2.762 0 40 GFAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)cc1 100159004 GYFMRBIAXJFTCD-CALCHBBNSA-N 379.464 2.766 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 12557258 VTHQKAXFYPXEAO-UHFFFAOYSA-N 388.445 2.510 0 40 GFAB C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2NC1=O 12541841 RWVHLYVGCPXYPF-SECBINFHSA-N 397.250 2.969 0 40 GFAB Cc1cccc([C@@H](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)NC(N)=O)c1 27843522 CUYPCCHBQYPBPI-YLJYHZDGSA-N 380.492 2.737 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2C)cc1 113872632 AKOVOXDTCHHZRZ-UHFFFAOYSA-N 396.852 2.887 0 40 GFAB CS(=O)(=O)Nc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 28021526 AFUWWRJJGBSXBZ-UHFFFAOYSA-N 396.472 2.985 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(C(=O)N2CCC(O)CC2)c1 97000477 LKJIQARNOLRJFF-UHFFFAOYSA-N 377.444 2.946 0 40 GFAB CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 45170352 YXDDXAATIXUFDJ-SNVBAGLBSA-N 393.852 2.965 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]4C2=O)no1 106021684 VJQRWGXSYACNSR-JNNRSPCRSA-N 385.807 2.562 0 40 GFAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-n2cncn2)cc1 25443455 KCMDJNGMLZVRDQ-UHFFFAOYSA-N 376.416 2.860 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 21756752 PXMXIMZFMANUCM-UHFFFAOYSA-N 378.425 2.552 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 11705600 SAUQKZYDWHTVMD-ZDUSSCGKSA-N 383.477 2.640 0 40 GFAB O=C1CSC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 60353915 FERFYKQPUBUAPB-UHFFFAOYSA-N 398.412 2.961 0 40 GFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 72284249 BZQMALMFBMZXDC-XHDPSFHLSA-N 386.851 2.808 0 40 GFAB CCNC(=O)[C@@H]1CCCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 60239954 GQUJATZOIUWHLV-CQSZACIVSA-N 390.871 2.697 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1 10324289 CLVRAXFZUMWENV-GFCCVEGCSA-N 390.461 2.667 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12817592 CBXVHNZGDFDOLD-UHFFFAOYSA-N 399.476 2.550 0 40 GFAB CCc1cccc(N2C[C@H](C(=O)NCC(=O)Nc3ccccc3CC)CC2=O)c1 12822714 PYDGGTBYVMOQHV-GOSISDBHSA-N 393.487 2.919 0 40 GFAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCN(C(=O)c2cccs2)CC1 12982372 DMSUOYKSAOGZOP-GFCCVEGCSA-N 379.432 2.811 0 40 GFAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1)C1CCCC1 96000397 IUKBGUFPUVYFEO-MRXNPFEDSA-N 394.541 2.848 0 40 GFAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4017382 AKFSMLYJKZHSPM-RNUBBMKBSA-N 375.424 2.988 0 40 GFAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ncnn1C 72303793 ZCLISAYGFXVPBE-UHFFFAOYSA-N 377.857 2.742 0 40 GFAB CC(=O)Nc1ccc(C(=O)OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 5298549 INTHHIMEYOKWPD-UHFFFAOYSA-N 392.419 2.821 0 40 GFAB COc1cc2ncn(CC(=O)Nc3cc(Cl)ccc3F)c(=O)c2cc1OC 14018821 ITFXKIXYAYYEJH-UHFFFAOYSA-N 391.786 2.845 0 40 GFAB O=C1Cc2cc(C(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)ccc2N1 14124300 ILEDRVNNQDVPOH-LBPRGKRZSA-N 390.490 2.599 0 40 GFAB COc1cccc(-c2nnn([C@H](C(=O)N3CCCCC3)c3ccccc3)n2)c1 14184259 IPWSECYORSCJGJ-IBGZPJMESA-N 377.448 2.951 0 40 GFAB CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCC(C)CC2)=C1C(=O)OC 67287858 YYIDPDUAPMNRCN-IBGZPJMESA-N 387.480 2.598 0 40 GFAB Cn1ccc2c(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cccc21 96344720 WXMXECQEFMCYRE-QGZVFWFLSA-N 376.416 2.648 0 40 GFAB COc1ccccc1CCNC(=O)Cn1cnc2c(oc3ccccc32)c1=O 15536763 ATPFOQUCWYDVDC-UHFFFAOYSA-N 377.400 2.510 0 40 GFAB Cc1cc(C)c(S(=O)(=O)NCC(=O)OCc2nc3ccccc3o2)c(C)c1 7982003 VELLXPYZRMFITK-UHFFFAOYSA-N 388.445 2.775 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1C 7940043 BVNKYXPXPWSOBF-UHFFFAOYSA-N 389.473 2.958 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1 8257626 OFOVRPHGJMUVMB-UHFFFAOYSA-N 392.506 2.625 0 40 GFAB Cc1cc(O)c2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 8491023 CGNKJICUCLLLDY-UHFFFAOYSA-N 381.384 2.703 0 40 GFAB biogenic Cc1nn(C)cc1C(=O)N1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 95998466 GHUJYYPVQKLATA-FQEVSTJZSA-N 393.491 2.804 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1 95998687 DKFYZWMBCCHQQG-MRXNPFEDSA-N 399.495 2.953 0 40 GFAB CC(C)n1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c2ccccc2c1=O 95969911 NBNFUMURPXYVHK-GOSISDBHSA-N 391.427 2.629 0 40 GFAB C[C@H](NC(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1nc(C(F)(F)F)n[nH]1 1563233414 WAKFFNCAHPQSIY-VXJOIVPMSA-N 398.345 2.661 0 40 GFAB CCNC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc(O)c(OCC)c1)CCO2 306134132 NEBFHRAJPYSJBH-FPOVZHCZSA-N 391.512 2.624 0 40 GFAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1F 504517045 OUTGWZWNMISZGA-MRXNPFEDSA-N 384.455 2.680 0 40 GFAB O=C(Nc1cccc2cccnc12)C1=C(c2ccccc2)S(=O)(=O)CCO1 32105160 GXHAPCMUJYQVMK-UHFFFAOYSA-N 380.425 2.987 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1NC(C)=O 408585867 KDPKJBXLJRAUMF-UHFFFAOYSA-N 391.449 2.803 0 40 GFAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217469176 WXZODCYGRLQRDY-AWEZNQCLSA-N 392.477 2.873 0 40 GFAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)COc2ccccc2)n1 72378597 CVMWTJFQTHHBII-GOSISDBHSA-N 377.448 2.967 0 40 GFAB CC1(C)C[C@@H](NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2O1 219018141 AMSLVJUMBKZMIF-HLLBOEOZSA-N 382.460 2.746 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1 38772835 GVAABMPUZZINEP-UHFFFAOYSA-N 384.461 2.618 0 40 GFAB CC(C)[C@H](C(=O)O)n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391476 MDPQODBDUACFIP-MRXNPFEDSA-N 381.367 2.527 0 40 GFAB CCOc1cccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222440109 PTFQGXWFKYJNLH-UHFFFAOYSA-N 376.478 2.720 0 40 GFAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224807905 LNQGUOBDHBJKCF-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB Cc1ccccc1OCC(=O)N1CCN(C(=O)COc2ccccc2C)[C@H](C)C1 96319379 QMDSCSXPSKBUKW-LJQANCHMSA-N 396.487 2.821 0 40 GFAB Cc1ncc(CN2CCOCC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95478448 ZYUWFSRQLPRGEZ-UHFFFAOYSA-N 394.427 2.971 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccc(F)cc3)C[C@H]1CN(c1ncccn1)C2 96056059 DTGRRXGYANOVKT-AVRDEDQJSA-N 398.482 2.897 0 40 GFAB CC(C)CCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 604382283 NCMCKKKMZKTIEL-GXRSIYKFSA-N 399.535 2.592 0 40 GFAB biogenic,in-vitro Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 257257321 KPAVMQKTTICZIH-IBGZPJMESA-N 399.495 2.983 0 40 GFAB Cc1cc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4ccccc4)CCO3)n2)[nH]n1 257310800 UGQGFMRPJQLLQA-KRWDZBQOSA-N 399.476 2.619 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)C3CCOCC3)CC2)ncn1 257290764 QEFUXNQVFHGPSU-UHFFFAOYSA-N 384.480 2.956 0 40 GFAB Cn1nccc1[C@@H]1OCC[C@H]1c1nc(-c2cc(OCC(F)F)ccn2)no1 585084225 NMRLIVKQYWCWIT-IAQYHMDHSA-N 377.351 2.754 0 40 GFAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)ccc1CO 257323194 WJCZNISGGQROBK-OAHLLOKOSA-N 395.463 2.599 0 40 GFAB Cn1cc(N2CCC[C@@H](NC(=O)N[C@@H](Cc3ccccc3)c3ncco3)C2)cn1 654462463 XMIHSCIBDQOZBI-MJGOQNOKSA-N 394.479 2.660 0 40 GFAB O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)C2(C(=O)O)CC=CC2)CC1 663038543 AQYBTRKIKDLXIF-UHFFFAOYSA-N 391.855 2.827 0 40 GFAB CC1(C)CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@@]2(CCOC2)O1 684605125 MVEFDTKVIGDQDQ-OAHLLOKOSA-N 395.399 2.544 0 40 GFAB CC(=O)N1CC2(CCN(C(=O)c3ccc4nc(C)sc4c3)CC2)[C@H]2COC[C@H]21 1615588386 FQRXVCUWONYUBJ-FUHWJXTLSA-N 399.516 2.704 0 40 GFAB O=C(NCCCc1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 390830370 KQCCMQJBAMPERV-UHFFFAOYSA-N 380.400 2.892 0 40 GFAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 664721551 SJWGHWLSOYHWDC-DFQSSKMNSA-N 395.413 2.742 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](Oc2ccncc2)C1 151164877 FGUVEBAYKNYYBO-CYBMUJFWSA-N 388.367 2.822 0 40 GFAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C2)n1 585291919 VPNRVGRVSQDKCF-YWVDXFKGSA-N 381.465 2.738 0 40 GFAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCCOc2c(C)cccc2C)c1 59894936 WIFYLNVCLNHEDH-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB Cc1noc(C2CCN(C(=O)c3ccc(N4CCN(C(C)C)CC4)cc3)CC2)n1 61188490 PKAMYAIOTNAOFP-UHFFFAOYSA-N 397.523 2.928 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155425 HUGYXVSWBDKMIX-JOCHJYFZSA-N 380.444 2.733 0 40 GFAB O=C(NCc1cccnc1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCNCC1 12088828 KJLREVKAUNQDEU-IBGZPJMESA-N 396.466 2.790 0 40 GFAB COc1cccc(N2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1 12147466 GXFSZQQONAZMQL-UHFFFAOYSA-N 377.448 2.833 0 40 GFAB Cc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)c4ccccc4)CN3C)n2)cc1 12529773 JDJUFIMVJOQUEY-WMZOPIPTSA-N 398.488 2.769 0 40 GFAB biogenic,in-vitro COc1cccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)c1OC 16779430 ZIDZRYOSFVSPEX-QCTDOKRBSA-N 397.481 2.948 0 40 GFAB CNc1ncccc1CN1CCc2nc3cc(-c4ccoc4C)nn3c(O)c2C1 19583202 IMWSWQBJCRPFGY-UHFFFAOYSA-N 390.447 2.998 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1 4968569 KUHZCSFEVNUNDQ-UHFFFAOYSA-N 387.505 2.542 0 40 GFAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)c1c[nH]c2ccccc12 5327189 XQCBVNBARHXIGS-CWRNSKLLSA-N 396.443 2.848 0 40 GFAB COCCN(CC(=O)Nc1cccc(C)c1C)CC(=O)NC1CCCCC1 7293065 AFJDPYGEQRXQJZ-UHFFFAOYSA-N 375.513 2.639 0 40 GFAB O=C(CNC(=O)c1ccc2ccccc2c1)NCCc1ccc2c(c1)OCCO2 7986738 ZEKSUGNTEHSFFD-UHFFFAOYSA-N 390.439 2.700 0 40 GFAB Cn1cnc2c(N3CC[C@@H](COc4cccc(C(F)(F)F)n4)C3)ncnc21 1889148730 NHVCXUJZTDNEPS-LLVKDONJSA-N 378.358 2.682 0 40 GFAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c(C)c1 10104938 PSJSGXXWCWIHIE-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc(Cl)cc1 22767300 MTMGLNDGLYRPCE-INIZCTEOSA-N 386.926 2.753 0 40 GFAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1CCc1nc(-c2cccs2)no1 33309781 KSGRXUCGGMMLMZ-UHFFFAOYSA-N 394.412 2.993 0 40 GFAB O=C(C1CCC(F)(F)CC1)N1CC[C@]2(COCc3cnc(NC4CC4)nc32)C1 503804750 GFPQRERCMSKIBR-LJQANCHMSA-N 392.450 2.877 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(C)c(-c2ccco2)c1C 575615635 RYVDSQHNGZTVBU-UHFFFAOYSA-N 393.440 2.886 0 40 GFAB O=C(NC[C@H](c1ccco1)c1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 585146805 RQZBYQAZTQULBE-CQSZACIVSA-N 398.440 2.999 0 40 GFAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 247939490 FZECIAXZDKRWLL-MJXNMMHHSA-N 393.447 2.954 0 40 GFAB CC(=O)N[C@H](C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1)C(C)C 36700857 CFCZBEIQKUERJZ-KRWDZBQOSA-N 389.477 2.870 0 40 GFAB O=C(CN1CCN(Cc2cc(F)cc3cccnc23)CC1)NCc1ccccc1 40086057 BEPBCKNBQILPKU-UHFFFAOYSA-N 392.478 2.808 0 40 GFAB O=C1CCc2cc(F)c(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)cc2N1 40133616 SLAMBEHWOIBALS-UHFFFAOYSA-N 394.406 2.828 0 40 GFAB CCc1ccc(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)s1 40107665 JWHXLGIKQCNKPQ-UHFFFAOYSA-N 376.478 2.716 0 40 GFAB CN(C)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccs1 40160835 YJHYNAASYQETSP-XJKSGUPXSA-N 375.519 2.970 0 40 GFAB CC[C@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20477175 YBHNGENHBCNNPJ-GFCCVEGCSA-N 399.520 2.748 0 40 GFAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCN3CCOCC3)cc2s1 20624939 VNBBLJVRCVLGCD-UHFFFAOYSA-N 384.505 2.766 0 40 GFAB CN(C)C(=O)[C@@H](c1ccccc1)n1nnc(-c2ccc(Br)cc2)n1 32741707 JYKLKSYHDBIJNK-OAHLLOKOSA-N 386.253 2.780 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(F)(F)F)cc1 102406399 MDCMBYYRVXSRSV-DFBGVHRSSA-N 398.381 2.938 0 40 GFAB COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(F)cc3)n2)c1 41254105 XCZXBKZZVHQJOK-UHFFFAOYSA-N 381.407 2.765 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC([C@H](O)c2ccccc2)CC1 32905168 QYAXSJVOCLFQLZ-OAQYLSRUSA-N 392.455 2.645 0 40 GFAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 813961 XKXPIPHLMJOJFI-HNNXBMFYSA-N 382.526 2.709 0 40 GFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3O)cc2)n1 947984 GBTFLXNNSRLSAA-UHFFFAOYSA-N 398.444 2.852 0 40 GFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(C(=O)OC)cc3)N2C1=O 2252685 NPNUPDSSANSCPH-DZGCQCFKSA-N 388.445 2.685 0 40 GFAB Nn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1cccnc1 3448127 XYPJMPVMOACBCJ-UHFFFAOYSA-N 390.266 2.791 0 40 GFAB CN1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 4087241 PUPYKTNAADMHCD-UHFFFAOYSA-N 379.869 2.506 0 40 GFAB CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)cc1 4107709 SFHXNTMJJBVWLW-LLVKDONJSA-N 391.518 2.947 0 40 GFAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 4352010 OEAHXUUGJSZVSE-UHFFFAOYSA-N 380.400 2.698 0 40 GFAB CCCNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1OC 4857932 XYILEZGWKTVDGG-UHFFFAOYSA-N 383.477 2.956 0 40 GFAB CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 4968735 SFCARANQHVVREM-UHFFFAOYSA-N 390.509 2.628 0 40 GFAB COCCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccncc1 5027247 UQIQSNVTZRGHFG-GOEBONIOSA-N 389.525 2.774 0 40 GFAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)no[n+]2[O-] 5223994 FADVRQBUWRNKAM-UHFFFAOYSA-N 382.323 2.607 0 40 GFAB CCN1CCN(c2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)CC1 5424579 TZUKCYYLUGBJGD-UHFFFAOYSA-N 390.491 2.982 0 40 GFAB CCOC(=O)c1nc(NC(=S)NC(=O)COc2ccc(C)cc2)sc1C 5672851 CRPPDHGVADSBSR-UHFFFAOYSA-N 393.490 2.829 0 40 GFAB CCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2OC)c1 6602068 PIPBSNOVYFLGRW-CQSZACIVSA-N 376.478 2.875 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 7779404 OTZDFIKCHFTKKO-UHFFFAOYSA-N 393.432 2.752 0 40 GFAB O=C(CCCSc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1 8724358 WCSSQQGRLRXMEF-UHFFFAOYSA-N 383.477 2.547 0 40 GFAB Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@@H]2c1cccnc1 8993325 VSABEGDOKGDUPQ-FQEVSTJZSA-N 399.458 2.589 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)On2nnc3ccc(Cl)cc32)cc1OC 9390180 NYNJOGMATWMCBZ-SNVBAGLBSA-N 376.800 2.558 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1cccs1 9828695 SDFLEHQPRXJWKB-UHFFFAOYSA-N 393.515 2.864 0 40 GFAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCSc2ccccc21 9909920 NCGFWNGVKRYJOO-OAQYLSRUSA-N 393.468 2.519 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccccc2F)n2nnnc2N3)c1 10296877 DACUJKWSTFCTBJ-QGZVFWFLSA-N 391.366 2.678 0 40 GFAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1cc2ccccc2o1 10704996 QIQLWYFNXXWVQO-UHFFFAOYSA-N 384.457 2.551 0 40 GFAB O=C(CNC(=O)C1CCCCC1)NCc1ccc(NC(=O)c2ccco2)cc1 11535234 ZJIUCNGEAFMQBG-UHFFFAOYSA-N 383.448 2.845 0 40 GFAB CCCn1c(O)nnc1SCC(=O)NCc1ccccc1OC(F)(F)F 11650942 MUEDOHDPOHQKGX-UHFFFAOYSA-N 390.387 2.701 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691785 NVTSUDBFZGAADK-VBQJREDUSA-N 396.390 2.661 0 40 GFAB Cc1cc2c(cc1CN1CCc3nc(-c4cccnc4)nc(O)c3C1)OCO2 12122158 NKXYVSJKZSBZOQ-UHFFFAOYSA-N 376.416 2.840 0 40 GFAB Cc1c(Cl)cccc1-n1c2c(c(=O)[nH]c1=O)CN(CCc1ccccc1)CN2 12372486 CRPQCLSACZSZHQ-UHFFFAOYSA-N 396.878 2.915 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 12406079 ZDIUOOLWMKZINR-GOSISDBHSA-N 382.416 2.634 0 40 GFAB NC(=O)Nc1ccc(CNC(=O)c2ccccc2I)cc1 12814550 WFNPPAPLRBMHTQ-UHFFFAOYSA-N 395.200 2.712 0 40 GFAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 12911456 HRCLUERWVYXEJP-DLBZAZTESA-N 375.538 2.545 0 40 GFAB Cc1nc(COc2ccc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2)no1 12973282 YFESMBLSNSPATQ-LLVKDONJSA-N 394.387 2.929 0 40 GFAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12996183 FUSUUZKPHXFYCX-UHFFFAOYSA-N 399.476 2.596 0 40 GFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(OC)c(NC(C)=O)c3)CC2=O)c1 13021994 FIQNNECYBRXZOE-CQSZACIVSA-N 397.431 2.654 0 40 GFAB COc1c(Cl)cc(C(=O)Nc2nnc(S(C)(=O)=O)s2)cc1Cl 13628159 GMKDOKMJNVPRGS-UHFFFAOYSA-N 382.250 2.509 0 40 GFAB C[C@H](C(=O)NCCCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13671761 CDNWOACSZLCKML-OAHLLOKOSA-N 378.469 2.729 0 40 GFAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)NCCCOC(C)C)CC3=O)c2c1 13944667 LUGOZMSIECDIBN-GOSISDBHSA-N 385.508 2.799 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)CC2=O)c1 14202251 NTFSXPINGHGWEL-UONOGXRCSA-N 390.505 2.752 0 40 GFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCCOC 14399103 AFQTWKWAGXVYKK-LJQANCHMSA-N 386.448 2.868 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c(C)c1 19132742 ZETCNIYSUQQDMZ-ZWKOTPCHSA-N 394.519 2.913 0 40 GFAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1C 19214170 QSVMBVZXATYKIJ-QZTJIDSGSA-N 394.519 2.913 0 40 GFAB COCCC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 19593066 FHLBZQUFDHOCHO-QHCPKHFHSA-N 396.487 2.645 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)n1 19705301 WFHKLMNUVKODBR-IBGZPJMESA-N 396.510 2.840 0 40 GFAB Cc1cc2cc(C(=O)N3CCc4nnc(C5CCN(C)CC5)n4CC3)ccc2o1 19709004 KLWQYUNMAOCTKR-UHFFFAOYSA-N 393.491 2.840 0 40 GFAB COc1ccc(Cl)cc1C(=O)NC(=S)NCc1ccc(C(=O)O)cc1 20152573 VVXAAOLKOWHWMN-UHFFFAOYSA-N 378.837 2.851 0 40 GFAB O=C(Nc1ccc(Nc2ccccc2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 21007064 BCDRXQKWKBNXSL-UHFFFAOYSA-N 394.456 2.866 0 40 GFAB COc1cc(CNCCNC[C@H](C)O)ccc1OCc1ccc(Cl)cc1 22075096 IPHJFHXJEDOLIZ-HNNXBMFYSA-N 378.900 2.988 0 40 GFAB Cc1nnc(SCc2cc(-c3ccc(Cl)cc3Cl)no2)n(N)c1=O 22987984 FEHLISLEUHONMW-UHFFFAOYSA-N 384.248 2.915 0 40 GFAB CCCc1noc(CCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)n1 23053915 SMLBRZVOKJSBMW-CQSZACIVSA-N 386.452 2.502 0 40 GFAB CC(=O)Nc1cccc(-n2cnnc2S[C@H](C(N)=O)c2ccc(F)cc2)c1 23076616 QGVCDFVBYPVGLK-INIZCTEOSA-N 385.424 2.684 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1 24597603 JNWSEGGJGIBOOB-MRXNPFEDSA-N 394.518 2.535 0 40 GFAB Cc1sc2nc(CN3CCOCC3)nc(NCCN3CCCC3)c2c1C 25373279 SPFVMKLRHFGWJU-UHFFFAOYSA-N 375.542 2.648 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)CCc1ccccc1 28198768 VXWJFLGGXUCKNK-CABCVRRESA-N 378.469 2.630 0 40 GFAB O=C1COc2ccc(S(=O)(=O)N[C@@H]3CCSc4ccccc43)cc2N1 32444840 VKWBJWNFWOHVHE-CYBMUJFWSA-N 376.459 2.533 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(F)cc2)c(OC)c1 32659747 YSNZUPKIWADFBD-GOSISDBHSA-N 386.423 2.764 0 40 GFAB O=C(NC1CCN(C(=O)NCCOc2ccccc2F)CC1)c1ccccc1 32862817 LIZBPYYZOUXNBO-UHFFFAOYSA-N 385.439 2.809 0 40 GFAB Cc1ccc(-c2cc(C(=O)NC3CCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325504 YFZHVYPZDAJLGY-KRWDZBQOSA-N 387.505 2.891 0 40 GFAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 35380392 WZYOORBBJIMWMJ-WTGUMLROSA-N 392.430 2.969 0 40 GFAB CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)CC1 36080478 AQWAQMZQFHEVSU-LBPRGKRZSA-N 384.885 2.525 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 39963965 KXFCXMHPECMEEQ-KRWDZBQOSA-N 382.395 2.738 0 40 GFAB COc1cc(C(=O)N[C@H](C)C(=O)N(C)Cc2ccsc2)cc(OC)c1OC 39981861 KJCRPJFUBSRGBA-GFCCVEGCSA-N 392.477 2.551 0 40 GFAB O=C1CN(c2ccc(NC(=O)NCc3ccc(F)cc3)cc2Cl)CCN1 40121840 QPWFJSZMWFSDCO-UHFFFAOYSA-N 376.819 2.737 0 40 GFAB COc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 41089832 ORZIPSZOGGHMSU-UHFFFAOYSA-N 392.440 2.757 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O 45670290 SWEFRUOPJOKKCU-MRXNPFEDSA-N 397.450 2.536 0 40 GFAB CSCC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1nnc2ccccn12 53794789 SMWFMTXVFMMMMN-MRXNPFEDSA-N 393.472 2.795 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC(C(N)=O)CC1 57466878 ZPHWRWLZWNZBDL-FQEVSTJZSA-N 381.476 2.881 0 40 GFAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 57898146 OLQKPZHGANUCSK-STQMWFEESA-N 396.896 2.941 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccccc3-n3cncn3)cn2)n1 58278407 AAFUUPAJPVKZGF-UHFFFAOYSA-N 388.435 2.787 0 40 GFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(c4cncnc4)C3)nc2C)cc1 72355010 FMRCJESPUGWZEV-OAHLLOKOSA-N 390.447 2.830 0 40 GFAB Cc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c(-n2cnnn2)c1C 72402160 MBDHKROETBRHAR-UHFFFAOYSA-N 378.411 2.872 0 40 GFAB C[C@@H]1CN(CCCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H](C)O1 79108138 URVGPQAFBUQEJI-ZIAGYGMSSA-N 394.459 2.873 0 40 GFAB Cc1cc(C)c(NS(=O)(=O)c2cc(C)c(F)c(C(=O)O)c2)c(C(=O)O)c1 89568693 NFWPNPCPNSSTLL-UHFFFAOYSA-N 381.381 2.948 0 40 GFAB CCOc1ccccc1-c1cccc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1 95459072 NMMKQNADOQBGCI-UHFFFAOYSA-N 390.505 2.810 0 40 GFAB COCc1nc([C@H]2CCCCCN2S(=O)(=O)c2ccc(OC)cc2)no1 96000628 DFWUCGSFWJOKFP-OAHLLOKOSA-N 381.454 2.531 0 40 GFAB CC(C)c1nc(S(=O)(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)c[nH]1 96002788 QJRZAOLYEYCUHQ-LLVKDONJSA-N 391.419 2.648 0 40 GFAB Cc1sc2nc(CN3C(=O)NC(=O)C3(C)C)[nH]c(=O)c2c1-c1ccccc1 96008350 LRGNFRFBMKZPKU-UHFFFAOYSA-N 382.445 2.790 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccccn3)C[C@H]1CN(c1ccccn1)C2 96056047 HVQAHSNQGHKAKQ-AVRDEDQJSA-N 380.492 2.758 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4cnn(CC)c4C)C3)cc2n1 100138119 IQXOJELCXVJWOZ-CQSZACIVSA-N 382.468 2.542 0 40 GFAB COCCn1/c(=N/C(=O)c2cccs2)sc2cc(S(C)(=O)=O)ccc21 100872759 BSIIWWUIQOWSTD-MSUUIHNZSA-N 396.515 2.555 0 40 GFAB COC(=O)C[C@H](NC(=O)CCC(=O)O)c1ccc(OCc2ccccc2)cc1 199412704 TYVFIUSSPNTCLB-SFHVURJKSA-N 385.416 2.851 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F 223237365 PQYBGBWQRZLFFT-KRWDZBQOSA-N 376.403 2.897 0 40 GFAB Cc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1OCC(=O)N(C)C 223241857 GFIUNMKTMRSZGV-UHFFFAOYSA-N 396.896 2.594 0 40 GFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H](c1cccnc1)C1CCOCC1 225622770 YMXXQQXFJKMOCK-XOBRGWDASA-N 384.432 2.862 0 40 GFAB O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCC2 225764761 FICJFSKNWWWKGM-WVGQAWGZSA-N 386.473 2.590 0 40 GFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 225846889 ZSLBYFOKZKAMQX-GOSISDBHSA-N 390.505 2.892 0 40 GFAB CCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 243733715 PUYPCCTUCNREJA-UHFFFAOYSA-N 388.917 2.666 0 40 GFAB C[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1 253387541 VIHRKOVEWCGJQP-FQMJKEJXSA-N 386.485 2.531 0 40 GFAB biogenic,in-vitro CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)C[C@H](OC(C)=O)[C@]21O 253489172 DEXUKJJEUCWGLM-PLSULTGPSA-N 386.444 2.683 0 40 GFAB C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254612353 QJPCKAJTLHDNCS-ZOIYQOIBSA-N 390.520 2.719 0 40 GFAB CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)s1 257226478 FKTNPAPQRMHPIC-CYBMUJFWSA-N 380.539 2.938 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@H]1CCc1cncc(-c2c(C)noc2C)n1 257322699 WHAFSHSSLDFBCN-INIZCTEOSA-N 396.451 2.606 0 40 GFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(OCC(F)(F)F)C1 390831677 UBXWBJCIGOPHIB-UHFFFAOYSA-N 379.278 2.537 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1ccccc1 408602337 DANBJRXKIYTWLY-CHWSQXEVSA-N 396.896 2.893 0 40 GFAB CC(C)Oc1ccc(CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 408710037 MEVVYRSBDJSGSI-UHFFFAOYSA-N 379.460 2.930 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1C 409377137 FANBKSUHJFBNKO-INIZCTEOSA-N 382.526 2.567 0 40 GFAB CC(=O)NCCc1ccc(C(=O)CSc2ccc(S(C)(=O)=O)cc2)s1 504354963 FZBKHWJUHAPNQB-UHFFFAOYSA-N 397.543 2.805 0 40 GFAB C[C@@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585097525 KZWTVCURNKTJDR-CQSZACIVSA-N 391.475 2.793 0 40 GFAB COCCN1C[C@@H](COCC2CC2)C2(CCN(Cc3cc(C)on3)CC2)C1 585102697 BBGSWBSPXVMBOY-IBGZPJMESA-N 377.529 2.570 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106193 BEPGMPGMSAIRTD-LZQZEXGQSA-N 387.499 2.667 0 40 GFAB Cc1cc(O[C@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc(C)n1 585147330 GDIKLOQAKCOYTH-IBGZPJMESA-N 381.476 2.822 0 40 GFAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)c2ccc(C(=O)NC3CC3)cc2)cn1 616745801 GQAWWKPTXKCRBH-MOPGFXCFSA-N 382.464 2.616 0 40 GFAB CC(=O)OC[C@]1(CC(=O)N2CCCC2)CCCN1C(=O)c1ccc(C)c(C)c1 643586847 FUOIJQDESHFGTE-JOCHJYFZSA-N 386.492 2.854 0 40 GFAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@]1(OCCO)CCSC1 1565520130 GYDIYDLOSWNMDJ-MRXNPFEDSA-N 377.428 2.639 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(Br)cc1 1565523413 NGFOAPJNWKOTAN-UHFFFAOYSA-N 392.205 2.651 0 40 GFAB CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41NC(=O)OCC[Si](C)(C)C 1772820957 NPYZZORDCVLMBJ-UHFFFAOYSA-N 378.545 2.818 0 40 GFAB Cc1cccc(OCC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775985828 AEXNLNBIMLGJQN-UHFFFAOYSA-N 395.503 2.748 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@@H]4[C@@]2(O)[C@@H]1O)[C@@H]1[C@@H](C[C@@H]3C)C1(C)C 2060999905 ONMDPPVVEFWDOD-ZXDZRCTGSA-N 388.504 2.614 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2C)cc1OC 904663 PFZDAABUNZNVJZ-UHFFFAOYSA-N 376.482 2.650 0 40 GFAB COc1cc2nc(Cc3cccs3)n(NC(=O)C3CCC3)c(=O)c2cc1OC 1365107 CJLKHTFMAAAYJC-UHFFFAOYSA-N 399.472 2.936 0 40 GFAB CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2s1 2624251 GASBQCVAGJLIAS-UHFFFAOYSA-N 381.479 2.558 0 40 GFAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3nnc(C)s3)nc21 3118031 PPPBQPBCTFQKDL-UHFFFAOYSA-N 385.478 2.890 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 4062332 ABOPBWKGPOOUFB-UHFFFAOYSA-N 375.428 2.902 0 40 GFAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)cc4)c3n2)c1 4175951 DUFRCPNLBMAGBA-UHFFFAOYSA-N 379.807 2.837 0 40 GFAB CCCn1ccc2c(OCC(=O)Nc3ccc(C(N)=O)cc3)cccc2c1=O 4584173 FHMPNWLCVWXRHC-UHFFFAOYSA-N 379.416 2.528 0 40 GFAB COc1cccc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)c1 4613830 VPSDDEJIJZMLNQ-UHFFFAOYSA-N 376.460 2.803 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNCc2ccccc2Br)cc1 4776711 ACABBDFGBXEWRQ-UHFFFAOYSA-N 383.311 2.826 0 40 GFAB C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(Br)cc1 5325740 GRWGNURCMKSDTI-LBPRGKRZSA-N 386.253 2.980 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(OC)cc1Cl 5403230 MZPXZWIUWAJPFV-UHFFFAOYSA-N 382.825 2.653 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)c1ccccc1 5791810 JFHYSXZSNBYVIQ-ODXCJYRJSA-N 387.386 2.609 0 40 GFAB CCN1C(=O)C(=O)N(CC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)C1=O 5878476 OGRPLVLOXIBZDP-UHFFFAOYSA-N 389.411 2.839 0 40 GFAB O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 6231298 NIHIDCDRLDQHNT-LFIBNONCSA-N 376.334 2.815 0 40 GFAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6325780 OCRODRGHUNXUPV-UHFFFAOYSA-N 390.505 2.706 0 40 GFAB CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 6551380 NVUWRITULOIBKV-UHFFFAOYSA-N 398.507 2.736 0 40 GFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 6778235 IKFHSHVJRHJPMS-PXNSSMCTSA-N 398.459 2.771 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c(C)c1 7802210 NPHLIZOSFAJHBZ-UHFFFAOYSA-N 386.517 2.769 0 40 GFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c1 7940122 NOEKVNNIDXEIFM-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 8313046 ZEEZRVKFLXYJOW-VZUCSPMQSA-N 396.443 2.967 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 8326598 FLURVOJZXDQBBP-HXUWFJFHSA-N 377.488 2.747 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C 8760630 OZFSJBRGDLQLRR-SFHVURJKSA-N 380.444 2.834 0 40 GFAB CCCNC(=O)[C@H](C)NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 9112636 OYQZGZHXOPVVHZ-ZDUSSCGKSA-N 386.521 2.512 0 40 GFAB Cc1cnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 9183707 XQQGTPNKTYXNPO-GFCCVEGCSA-N 383.470 2.630 0 40 GFAB COc1ccc(N2C(SCC=C(C)C)=N[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 9304213 GWCFLZJDCISCJR-GOEBONIOSA-N 396.534 2.745 0 40 GFAB Cc1c(NC(=O)CCN2CCc3sccc3C2)c(=O)n(-c2ccccc2)n1C 10093062 DKTGITUXNAHCCS-UHFFFAOYSA-N 396.516 2.933 0 40 GFAB NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 12136675 WZVKYSSHLRFDMN-UHFFFAOYSA-N 399.442 2.849 0 40 GFAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1F 12440065 IZXYPMRRSMCHKL-UHFFFAOYSA-N 386.408 2.712 0 40 GFAB CCCCc1ccc(N2CCCn3c2nc2c3c(=O)n(CC)c(=O)n2C)cc1 12532140 FXIKSASIQGQFKN-UHFFFAOYSA-N 381.480 2.801 0 40 GFAB CNc1nc(C)c(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)s1 12669386 CAYYYOJUVQSWGV-UHFFFAOYSA-N 384.465 2.958 0 40 GFAB Cc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1NC(=O)c1ccco1 12877390 NXAXDGMJAHDETG-UHFFFAOYSA-N 384.417 2.577 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12923900 XLDVVXOGGKCREO-UZLBHIALSA-N 388.471 2.928 0 40 GFAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)cc1 12980123 XJSFMZVWCLWAQB-LAUBAEHRSA-N 388.464 2.520 0 40 GFAB COc1ccc(C)cc1NC(=O)CSc1nc(O)cc(=O)n1CC(C)C 13040420 QPKCAIMJLDSTOJ-UHFFFAOYSA-N 377.466 2.653 0 40 GFAB CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1[C@@H]2O)OCCO4 13161698 MXLUJTLTXGBJCS-CYBMUJFWSA-N 394.865 2.977 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)c2cccnc2)CC1 13266141 AEWQOAJAAGLNFT-UHFFFAOYSA-N 378.407 2.888 0 40 GFAB COc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 13670086 QVKFYJMNCQKIJE-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)C(=O)NCc1ccccn1 13735996 SVZGYEOAZJPIKZ-UHFFFAOYSA-N 397.866 2.852 0 40 GFAB CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 13999441 YVBSLWWJXFFJPO-INIZCTEOSA-N 396.443 2.873 0 40 GFAB COc1ccccc1N1CCN(Cc2cc(=O)n3nc(C(C)C)sc3n2)CC1 15731821 VSGILKGZAZUWQC-UHFFFAOYSA-N 399.520 2.605 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C(=O)O)[C@@H](C)CC)ccc12 16042526 QRDQSTNEKCZZRI-BBATYDOGSA-N 375.421 2.658 0 40 GFAB biogenic C[C@H](C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)c1ccccc1 19459088 NBCGLVWXYNLROL-KRWDZBQOSA-N 391.471 2.554 0 40 GFAB COCCC(=O)N1CCN(C)C(=O)[C@@H](Cc2ccc(-c3cccs3)cc2)C1 19589469 YMGDCWKADLRJQH-SFHVURJKSA-N 386.517 2.911 0 40 GFAB CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930096 MMQQDGIDKAMOQT-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)cc1C 20015185 JMGUOTVQCRIVKD-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)N(C)C)c1 20244777 DSJNSQTWVGVGQV-UHFFFAOYSA-N 397.447 2.833 0 40 GFAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)nc1N 21871722 WPCQJSBAKXSRIG-LBPRGKRZSA-N 386.477 2.696 0 40 GFAB O=C(Cc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)nc1 22994666 YJGCIEVBXPJWQE-UHFFFAOYSA-N 376.254 2.862 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](c2ccccc2)C(C)C)c1=O 23773303 FDIYTMXCHCSPIK-HXUWFJFHSA-N 379.460 2.697 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCOCC2)o1 24573441 OINOXRZVADTIOF-LJQANCHMSA-N 397.475 2.518 0 40 GFAB O=C1C(=O)N(CN2CCC[C@H](C(F)(F)F)C2)c2cc3c(cc21)OCCCO3 24573947 UCJZHQMZHFSHPT-NSHDSACASA-N 384.354 2.609 0 40 GFAB Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)nn1-c1ccccc1 25851299 VUXOOBSJABANND-INIZCTEOSA-N 397.475 2.783 0 40 GFAB COc1ccc(Nc2nnc(SCc3cccc(C)c3)n(N)c2=O)c(OC)c1 28535873 GKAKCXKNONKRPG-UHFFFAOYSA-N 399.476 2.714 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1C 30336469 UUMUQFHJFNDALF-UHFFFAOYSA-N 388.489 2.605 0 40 GFAB COc1ccccc1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 31754254 VATYFIVLYDXBHH-UHFFFAOYSA-N 392.502 2.850 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 32818679 LYAIMTZLIIWMKL-SIKLNZKXSA-N 381.520 2.949 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COC(=O)c1ccoc1C 32858346 PJGBMJDZZIQERU-UHFFFAOYSA-N 381.432 2.923 0 40 GFAB CC1=NN(c2ccc(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)cc2)CC1 32926213 NMBSTFVFHIKXFY-UHFFFAOYSA-N 382.439 2.880 0 40 GFAB COc1ccccc1NC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)nc1 33664827 RCJNIVRXSMXMFQ-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(C)cc1 35380332 QXXLHODIWNSIJU-WTNAPCKOSA-N 393.531 2.857 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C 37471628 PVPXYCFOCWRKHO-OWIUFQIYSA-N 395.569 2.987 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 38490349 CBIAHCFWJFIDEA-SFTDATJTSA-N 378.472 2.712 0 40 GFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)C(=O)N1CCc2ccccc21 40106243 WPUNVUUQKUOBBU-OAHLLOKOSA-N 395.484 2.831 0 40 GFAB Cc1nc2ccccc2c(=O)n1CCC(=O)NCCOc1cccc(Cl)c1 40113537 KARCVMRXADDBRH-UHFFFAOYSA-N 385.851 2.944 0 40 GFAB CCc1nn2c(ncc3c(=O)n(NC(N)=S)ccc32)c1-c1ccc(Cl)cc1 40397527 USBXWUUEJUZASC-UHFFFAOYSA-N 398.879 2.714 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)COc2ccc(F)cc2)CC1 46939629 AHIRIWVOVKZVHJ-UHFFFAOYSA-N 385.483 2.658 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)CC1 52977852 HBTJNGFEMUVVOQ-UHFFFAOYSA-N 383.467 2.598 0 40 GFAB Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCc4ccccc43)CC2)cc1C 57486205 YAVILGVLHAKENA-QFIPXVFZSA-N 391.515 2.865 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(Cl)c1 57750254 YXOTTZOLSYPGBZ-INIZCTEOSA-N 396.896 2.692 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)c(C)s1 57762995 KUMQWLJNKSEBOF-UHFFFAOYSA-N 382.463 2.614 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2[nH]ncc12 62581274 KVRINYJFSCGKCV-LBPRGKRZSA-N 378.388 2.592 0 40 GFAB CN(C(=O)COCCOc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 72305471 YQCXARYRPVHSFQ-INIZCTEOSA-N 378.469 2.550 0 40 GFAB COC(=O)C[C@@H](c1cc(Cl)cc2c1OCOC2)c1c(O)cc(C)[nH]c1=O 72404592 SKJKLEZQBVLPHN-LBPRGKRZSA-N 379.796 2.604 0 40 GFAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)NCCc1ccccc1OC 77200029 QNYGAHNYZFXKRY-IBGZPJMESA-N 386.423 2.859 0 40 GFAB Cn1c(C(=O)NCCCN2C(=O)COc3ccccc32)cc(Cl)c1Cl 78874672 WFTPKXTWLMJXBK-UHFFFAOYSA-N 382.247 2.877 0 40 GFAB O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 84605984 DGJJONOTRHLXRW-OAHLLOKOSA-N 380.366 2.746 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CCC(Cn2cccn2)CC1 90560602 XHXFYEYNGOFOIP-UHFFFAOYSA-N 390.328 2.808 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@@]2(CNCCN2C(=O)OCc2ccccc2)C1 91302727 WBVPUSRPXQVDJC-HXUWFJFHSA-N 375.469 2.608 0 40 GFAB in-vitro O=C1NCCN1[C@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 92188453 MTMXKHKFRXXUAQ-INIZCTEOSA-N 393.413 2.881 0 40 GFAB CC(C)n1cnc2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc43)cc2c1=O 95473138 HVVRGRHHEYOXIK-GOSISDBHSA-N 376.416 2.791 0 40 GFAB O=C(CN1CCN(C(=O)c2ncoc2-c2ccccc2)CC1)Nc1ccccc1 95958351 WHHJVUVAHNHNOH-UHFFFAOYSA-N 390.443 2.738 0 40 GFAB Cc1ccc(N2CCC3(CC2)C(=O)N(C[C@@H]2CCCO2)c2ccccc23)nn1 96078932 HWDOYNUVKIGCNT-KRWDZBQOSA-N 378.476 2.849 0 40 GFAB COc1ccc(S(=O)(=O)NCCn2ccc(-c3cccs3)n2)c(C)c1 96103870 DLUXYEUDLUSLGH-UHFFFAOYSA-N 377.491 2.907 0 40 GFAB CCN(CC)CCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100180118 SBJVCDHWJCQQIQ-DTJFYBITSA-N 399.535 2.789 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cccc(I)c1 100237357 MHPWIUHQCRHJIL-QLKXBERHSA-N 391.208 2.849 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)CC1 100750150 NVXCKJDLHQRELU-UEXGIBASSA-N 395.507 2.902 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1n[nH]c2ccccc12 102346793 RVKMNSSZWBEGMF-UHFFFAOYSA-N 398.488 2.796 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1c(F)c(F)c(F)c(F)c1F 102440411 UIDIQRWBFQGWPY-YUMQZZPRSA-N 390.308 2.886 0 40 GFAB COc1cccc(N(CCCC(=O)NCc2ccccc2C)S(C)(=O)=O)c1 113966996 JNWCUPBSIRDCSP-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2C)c1 129211131 NJTNSGWTLACSAM-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 223017504 KWTUGPHCHKDEHT-UHFFFAOYSA-N 376.478 2.887 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223607247 ALMUQAHYZXNWPE-MOPGFXCFSA-N 379.489 2.622 0 40 GFAB CN(c1cccc(C(=O)NCc2ccncc2)c1)S(=O)(=O)c1ccccc1 224253058 UPNZVTSRTKHODN-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1OC)S(C)(=O)=O 225714951 RACXUPLOBWPYDJ-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 226072004 VCIALAIDYAQWIV-UHFFFAOYSA-N 388.489 2.759 0 40 GFAB C[C@H](NC(=O)C(=O)NC[C@](O)(c1ccco1)c1cccs1)c1ccccc1 238824788 DMCVOUVIKAKLBG-XOBRGWDASA-N 384.457 2.571 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242688266 VMLXYKQNDWKYQR-GGPKGHCWSA-N 390.457 2.661 0 40 GFAB CC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)c2)CC1 247817162 DRDFXEVXMGDVFY-QFACEVIFSA-N 382.460 2.695 0 40 GFAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1cnc(O)c(Cl)c1 253472999 QXHHMVPBAFDRAJ-UHFFFAOYSA-N 386.824 2.537 0 40 GFAB Cc1nc(-c2cccc(NC(=O)CN3CC[C@H](O)[C@]4(CCCO4)C3)c2)cs1 257218359 DCVUFVLIOCUJBC-ICSRJNTNSA-N 387.505 2.673 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 260800791 XGBPXNQGCCFDLK-KBPBESRZSA-N 394.468 2.866 0 40 GFAB C[C@H](C(=O)O)[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O 299817185 KORXLQCISNSYKQ-BLLLJJGKSA-N 387.436 2.520 0 40 GFAB in-vitro Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3ccccn3)CC2)cc1 306125119 CHSBPUARYLWFGB-UHFFFAOYSA-N 387.487 2.946 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C)c(C)c1 408553161 OILJMROSMCRJLJ-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1C 408556117 CHWRNEOEHRQWNB-LLVKDONJSA-N 384.404 2.587 0 40 GFAB CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c(Cl)c1 536501503 HNTIFPOBDGOJDN-ZDUSSCGKSA-N 377.872 2.819 0 40 GFAB C[C@H](Nc1ccc(N2C[C@H](c3ccccc3)[C@@H](C(N)=O)C2)nn1)c1ccccc1 567719960 BGGIQDWSEYEXGK-DBVUQKKJSA-N 387.487 3.355 0 40 GFAB Cc1ccc2sc(C(=O)N3CCC(CNS(C)(=O)=O)CC3)c(C)c2c1 585082195 AHPPQQWLJRDJEQ-UHFFFAOYSA-N 380.535 2.920 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3CC3CCCCC3)C2)c1 585107895 CQQMRIZIHURUTE-FXAWDEMLSA-N 378.538 2.970 0 40 GFAB O=C(c1cccc(-c2nc(=O)o[nH]2)c1)N1CCC2(CC1)OCCc1ccccc12 616180347 OISYLJXETOWIQL-UHFFFAOYSA-N 391.427 2.734 0 40 GFAB CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)s1 654640093 ZBBOTJNNIJRTAR-NWDGAFQWSA-N 378.502 2.886 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153103 AKVLELDCHPVRJA-JOCHJYFZSA-N 382.435 2.793 0 40 GFAB Cn1c(N2C[C@H]3CN(C(=O)c4cc(C(C)(C)C)n[nH]4)C[C@@H]3C2)nc2ccccc21 1888897697 KFUAEFWXKURFTI-HUUCEWRRSA-N 392.507 2.802 0 40 GFAB O=C([C@@H]1CN(c2ncc(Cl)cc2Br)CCO1)N1CCCCC1 1888913805 FTMDTXWOUGIWRL-ZDUSSCGKSA-N 388.693 2.715 0 40 GFAB Fc1ccc(OC[C@H]2CCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)nc1 1889148803 QDYOEGBBBVVODK-JTQLQIEISA-N 382.321 2.583 0 40 GFAB COc1cccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037988835 KQYPFUPDYLYRSF-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB CC(C)c1ncnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)c1F 2086992563 TVDSGVXCOQARDF-UHFFFAOYSA-N 379.443 2.918 0 40 GFAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1sccc1OC(F)F 105371881 GTBUEGRUIJSVCO-UHFFFAOYSA-N 399.423 2.596 0 40 GFAB COc1ccc([C@H](O)CNC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1 79072474 NKTJZTCJFLMANH-HXUWFJFHSA-N 393.443 2.760 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c1C 24782080 TWXDVQHKMASCDP-UHFFFAOYSA-N 379.464 2.965 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 4160183 LXCHGBFVKXGNSG-QGZVFWFLSA-N 382.460 2.724 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)c4ccoc4)CC3)cc2)n1 25234425 RGOCAUHZMCSDPJ-UHFFFAOYSA-N 378.432 2.680 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccccc3OC)CC2)c1C 34889460 VQAKOIIPPRQYGF-INIZCTEOSA-N 399.491 2.820 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@H]1C=C[C@@H]2C12CC2 4856266 SXBUIFRWYXAUGI-CRWXNKLISA-N 391.208 2.993 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCCC1 4914407 VTXFYYLCRMKFHH-UHFFFAOYSA-N 388.445 2.761 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 6825984 MQVKJAFZSZTONS-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB C[C@H]1CCCN(C(=O)COC(=O)c2ccccc2I)C1 7786233 HAHAEEFZQBPWAT-NSHDSACASA-N 387.217 2.707 0 40 GFAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10330548 FKYNNNQUVJHXGD-UHFFFAOYSA-N 389.477 2.759 0 40 GFAB COc1cccc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)c1OC 57471781 WHOOQXJSLJPWSH-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB CCn1c(=O)c2ccccc2n2c(CNc3ccc(C(=O)OC)cc3F)nnc12 72312419 LJOPBMDIAGUNIA-UHFFFAOYSA-N 395.394 2.602 0 40 GFAB COc1cc(CNC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1O 58179459 PQNLAFQHALSLCT-GASCZTMLSA-N 379.501 2.577 0 40 GFAB CCOC(=O)CN(C(=O)c1ccc(=O)n(C)n1)c1ccccc1-c1ccccc1 58245707 CTBSIBDOMIYPID-UHFFFAOYSA-N 391.427 2.657 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 58231553 BSGDGQZVPIVLCV-UHFFFAOYSA-N 377.441 2.933 0 40 GFAB Cc1ncc(CN(C)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)s1 58357254 PRHRZKASHMRUFH-UHFFFAOYSA-N 380.495 2.655 0 40 GFAB CC(C)N1CC[C@@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 58407158 IVCQJPHMEWRPQF-HOTGVXAUSA-N 380.483 2.821 0 40 GFAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)n1nnc2ccccc21 3236708 DYJIHTRZMNCHRR-UHFFFAOYSA-N 390.852 2.558 0 40 GFAB COc1cc(NC(=O)C2(n3cnnn3)CCCCC2)ccc1-n1nc(C)cc1C 72405928 HXJICOOHENRIQQ-UHFFFAOYSA-N 395.467 2.782 0 40 GFAB COc1ccc(Br)cc1CN(C)CN1C(=O)N[C@](C)(C2CC2)C1=O 23841921 KTNIZHRNURHCGO-QGZVFWFLSA-N 396.285 2.568 0 40 GFAB O=C(NCc1cccnc1-n1ccnc1)c1cccc(OC[C@H]2CCCO2)c1 29910910 XGKDDSLUMUVFFH-LJQANCHMSA-N 378.432 2.755 0 40 GFAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2652286 KLFYXOBBODCPSZ-UHFFFAOYSA-N 390.417 2.720 0 40 GFAB CN1C(=O)N[C@H](c2cccnc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139942 FOMXGRXQNHKVHM-YWPYICTPSA-N 385.367 2.589 0 40 GFAB O=C(NCCOc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 59488435 YHPHYWDJDKFKCB-UHFFFAOYSA-N 381.259 2.847 0 40 GFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(Nc3ncccn3)c2)C[C@@H](C)O1 48288847 RVUYQVBEEYAATM-QKLQHJQFSA-N 395.507 2.934 0 40 GFAB C[C@H](C(=O)NCCSC(C)(C)C)N(c1cccc(F)c1)S(C)(=O)=O 113968369 RPKCMFCPCLEIKY-GFCCVEGCSA-N 376.519 2.628 0 40 GFAB CCOc1c(Br)cc(C(=O)NCCc2nc(C)no2)cc1OC 60241595 PSFGQIFUHVKJNN-UHFFFAOYSA-N 384.230 2.520 0 40 GFAB O=C(NCc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12808915 GTAHACMORMZHHK-UHFFFAOYSA-N 387.505 2.861 0 40 GFAB COc1cccc(N2CCN(C(=O)CSCc3c(C)noc3C)CC2)c1 3406857 FHIYEMAEHDRIIB-UHFFFAOYSA-N 375.494 2.882 0 40 GFAB COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)NCc1cccs1 12911950 JCEMEXSILFDDKC-GFCCVEGCSA-N 389.506 2.838 0 40 GFAB CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1 24102371 ZUEZCWISDCGCEC-UHFFFAOYSA-N 383.267 2.918 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3cc4c(cc32)OCCO4)cc1 64794821 WARYVGJQBSTADB-UHFFFAOYSA-N 381.388 2.623 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)COc2ccc3c(c2)NC(=O)CC3)c1 96231609 HWYLGTFJXIJNOC-UHFFFAOYSA-N 393.443 2.730 0 40 GFAB COC(=O)[C@H]1CN(C(=O)c2oc3ccc(Br)cc3c2C)C[C@@H](C)O1 95414222 JVGDKLFGVZEFCD-YMTOWFKASA-N 396.237 2.906 0 40 GFAB CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 5879126 IBRFSAZQMOSTFE-UHFFFAOYSA-N 387.288 2.930 0 40 GFAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N1CCCCCC1 7298801 IZZHJMTZZREFNB-BBRMVZONSA-N 376.478 2.824 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 7247305 BRSFCKOUAMTDKW-UHFFFAOYSA-N 392.264 2.857 0 40 GFAB CNC(=O)[C@@H]1CN(C(=S)NCCSc2ccccc2)c2ccccc2O1 7403842 JIHKRAYPYXRMAJ-KRWDZBQOSA-N 387.530 2.667 0 40 GFAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 7953841 MEVPHLZEYUDQIK-HNNXBMFYSA-N 396.509 2.647 0 40 GFAB COc1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)c(OC)cc1Cl 8305480 QRIBQXRVWNRHTF-UHFFFAOYSA-N 389.843 2.983 0 40 GFAB C[C@H]1CN(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C[C@@H](C)O1 22612615 DOJPEFRCUZPSKF-CALCHBBNSA-N 394.475 2.971 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1ccco1 17910417 YHJGYQSWTUNMQY-UHFFFAOYSA-N 381.358 2.644 0 40 GFAB Cc1cc(I)ccc1NCC(=O)N1C[C@H](C)O[C@H](C)C1 18146097 CUZFLVAANBGOEI-TXEJJXNPSA-N 388.249 2.647 0 40 GFAB Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)O)cc2F)o1 72304018 QDRLLWVESIBRHQ-UHFFFAOYSA-N 377.353 2.683 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 95954658 MBOVYWDWKODZSA-UHFFFAOYSA-N 398.488 2.954 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)cc1 1505839963 UXKGMFJKGGTMRH-ZDUSSCGKSA-N 385.474 2.691 0 40 GFAB Cc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1NS(C)(=O)=O 518247499 CCWLBUUCUKWDEG-UHFFFAOYSA-N 396.472 2.708 0 40 GFAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C 36370012 DPAODTFTKRWUGH-UHFFFAOYSA-N 395.463 2.815 0 40 GFAB biogenic O=C(NCCn1cccc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 524732604 RCDZTDBGMRFVDW-UHFFFAOYSA-N 381.885 2.502 0 40 GFAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCN(C(=O)c3scnc3C)C2)n1 72374669 NVEYYAHQBTYMIW-CYBMUJFWSA-N 380.477 2.824 0 40 GFAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)c1 72358745 TVAAEPIZBPDGAK-MRXNPFEDSA-N 375.432 2.962 0 40 GFAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 49006242 INQUJIKUVFJDAO-UHFFFAOYSA-N 376.482 2.935 0 40 GFAB C[C@@H]1CCCc2nc(S(=O)(=O)N(C)c3cc(Cl)ccc3C(=O)O)cn21 574704151 UWYYSDYHQYPMPJ-SNVBAGLBSA-N 383.857 2.957 0 40 GFAB O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1n[nH]c2c1CCC2 574901126 KTTSJYNLULPOGT-GFCCVEGCSA-N 383.402 2.785 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC 223638652 MBQUVUSNPXBKCP-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1 44904625 SNGYBBJBRRRDKF-MRXNPFEDSA-N 390.505 2.817 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 40009863 ATVSJRAEMAAXQI-IBGZPJMESA-N 396.443 2.856 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)c3ccc4nsnc4c3)n2)cc1 49027344 DOXGNLVJMDMGLV-UHFFFAOYSA-N 397.416 2.592 0 40 GFAB O=S(=O)(c1ccccc1)n1c(I)cc2ncccc21 95920028 JHCZBNBLVCAJHA-UHFFFAOYSA-N 384.198 2.878 0 40 GFAB O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@H](Oc2ccccc2)C1 583378234 MLJKARIDLYGYAC-NRFANRHFSA-N 380.492 2.909 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245229865 HPUXACWYEUDBLN-WYADAEROSA-N 396.418 2.516 0 40 GFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccccc1C)CC2 257337227 YRYHOBNNHOPCKJ-GOSISDBHSA-N 379.508 2.721 0 40 GFAB CCOC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)C1 544922832 XOQJKNSHALAPIJ-CQSZACIVSA-N 381.494 2.701 0 40 GFAB CNc1ccc(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)c(Cl)c1 1618175509 MUHNVMBELFTEFF-OAHLLOKOSA-N 387.915 2.717 0 40 GFAB C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 1648707302 INHURNOSCRUNPS-QUCCMNQESA-N 385.851 2.561 0 40 GFAB COc1ccc(CS(C)(=O)=O)cc1NC(=O)NC[C@H]1CCC2(CCCC2)O1 654072114 XICFOGAFORHSNH-OAHLLOKOSA-N 396.509 2.853 0 40 GFAB C[C@@H]1CCn2ncc(C(=O)N3CC[C@@H](Nc4ncnc5ccccc45)C3)c2C1 1615613210 RGBXRVIAKKBKBM-HUUCEWRRSA-N 376.464 2.735 0 40 GFAB COc1cnc(C(=O)N(C)CCN(C)C(=O)c2cnc3ccccc3c2)c(F)c1 1615612451 YPGYHZLSUYANQH-UHFFFAOYSA-N 396.422 2.622 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](OC)c1ccccc1OC 96385250 NSOBUUQARYPDKS-KRWDZBQOSA-N 392.839 2.800 0 40 GFAB CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1sccc1Cl 585094364 PUTWVHSHLCCPKC-GFCCVEGCSA-N 378.947 2.665 0 40 GFAB COc1cccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@@H]32)c1 585107956 LXUYZONAOVRDRA-QUCCMNQESA-N 386.517 2.899 0 40 GFAB O=C(NCC(=O)N1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1 56975502 RZWXINBAHHFCRM-UHFFFAOYSA-N 381.263 2.921 0 40 GFAB O=C(Cc1ccsc1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156757 KVVUGSNKCYOISJ-HXUWFJFHSA-N 388.464 2.854 0 40 GFAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1cccc(I)c1 20437959 FJEGBHXKBBKWQK-UHFFFAOYSA-N 383.141 2.947 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 12918335 QSPMCUAHRDTWIQ-JFIYKMOQSA-N 395.521 2.785 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1nc(C)cc(C)n1 12926000 RKYUFWDASSLUIK-UHFFFAOYSA-N 394.447 2.951 0 40 GFAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)c(N(C)S(C)(=O)=O)cc1OC 13582566 WSKNJAUTHLNGLO-UHFFFAOYSA-N 392.477 2.969 0 40 GFAB CCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584782 GPPCHOHMDZDBOD-UHFFFAOYSA-N 376.478 2.759 0 40 GFAB CSc1cccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 14400122 RCAYEXIZFXBEJY-UHFFFAOYSA-N 394.518 2.817 0 40 GFAB O=C(Nc1ccccc1C(=O)Nn1cnnc1)c1ccc(Br)cc1 14406036 QNJDUZNYBVRMLB-UHFFFAOYSA-N 386.209 2.677 0 40 GFAB COc1ccc(CN2CCC(CNC(=O)[C@H](C)Cn3nccc3C)CC2)cc1 19238343 ZEPQZWPFZFKNMC-QGZVFWFLSA-N 384.524 2.865 0 40 GFAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N2C(=O)[C@@H](C)Oc3ccccc32)cc1 19462036 VBBICHYKXJXQQU-HRCADAONSA-N 398.459 2.781 0 40 GFAB CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)Cc1ccc(F)cc1Cl 19520853 CWCPLAXUUWFEKN-CYBMUJFWSA-N 377.803 2.920 0 40 GFAB CCN1CCC[C@@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 19655475 SXGSVCQOAWSQSQ-QGZVFWFLSA-N 392.507 2.748 0 40 GFAB Cc1c(C(=O)NCc2c(C3CC3)cnn2C)nnn1-c1ccc(F)c(Cl)c1 618558390 LPFIFQSRBAGXKU-UHFFFAOYSA-N 388.834 2.909 0 40 GFAB Cc1nc(C)n(CC(=O)N2Cc3cc(Cl)ccc3OC3(CCOCC3)C2)n1 12122069 SXTVLNIOGJCHOG-UHFFFAOYSA-N 390.871 2.519 0 40 GFAB CCc1nc2ccccc2n1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 18049794 CIAQJWNPULIYNI-UHFFFAOYSA-N 390.365 2.771 0 40 GFAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccncc2)n1C)c1ccccc1 6139512 GODOSQZNHOKRCB-HNNXBMFYSA-N 396.476 2.556 0 40 GFAB Cc1cc(N2CC[C@@H](COc3cccc(C(F)(F)F)n3)C2)n2ncnc2n1 1889149059 PBYAXKLEUBYOOK-GFCCVEGCSA-N 378.358 2.752 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnnn1C[C@@H]1CCCO1 16412323 HPBYOESAKLYZRU-AAEUAGOBSA-N 381.889 2.933 0 40 GFAB COC(=O)[C@@]1(CC2CC2)C[C@H](N2CCCC2)CCN1C(=O)c1ccc(C)nc1 2056223233 REVLYDAJILGTOP-DENIHFKCSA-N 385.508 2.802 0 40 GFAB COc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 4479826 JMCOLXIHKJTEDY-CQSZACIVSA-N 385.420 2.639 0 40 GFAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 5223212 URVUVZYIJGEVMO-UHFFFAOYSA-N 389.458 2.911 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1Cl 8961572 OMGJZIVNSJSKDE-UHFFFAOYSA-N 380.853 2.914 0 40 GFAB O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccccc1 9844650 BSYXUFIEHGLLIG-UHFFFAOYSA-N 389.864 2.542 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(C(=O)NC(C)(C)C)CC3)c2F)cc1 1775972670 QMIIHOOXPJFYCE-UHFFFAOYSA-N 387.459 2.921 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1 575611105 AHGKGYSFKPGONL-HNNXBMFYSA-N 392.253 2.931 0 40 GFAB COc1ccc(CCNC(=O)c2nnn(-c3ccccc3OC)c2C)cc1OC 32659066 AZEPSCYXRPBPJJ-UHFFFAOYSA-N 396.447 2.574 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCCC2)cc1 32759427 JCYVUWVDSUOUIB-UHFFFAOYSA-N 393.530 2.880 0 40 GFAB COc1ccccc1OCCNC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1 32981153 IJFAANOFSPAYQW-UHFFFAOYSA-N 396.487 2.771 0 40 GFAB Cn1c(=O)oc2cc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)ccc21 102957821 BECJCZPYHRVUSZ-ZDUSSCGKSA-N 384.411 2.919 0 40 GFAB Cc1nc(CNC(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)oc1C 104305758 SFCFTNPXAGBQMX-UHFFFAOYSA-N 394.456 2.882 0 40 GFAB CCOc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)cc1 958515 ONBUEFDRPGAWEF-UHFFFAOYSA-N 384.461 2.769 0 40 GFAB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1337997 IVJLCDDHHVISLL-UHFFFAOYSA-N 394.475 2.505 0 40 GFAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Cl 1985833 ZRCWZHVSFNPKNQ-HNNXBMFYSA-N 386.835 2.870 0 40 GFAB CCCOC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 2079008 VRRBWSRWAWGVFI-TZWRJOPASA-N 375.424 2.832 0 40 GFAB COc1ccc(C(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2700466 GESHFXRBTGBMBB-UHFFFAOYSA-N 390.530 2.686 0 40 GFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc2c(c1)OCCO2 3310420 FSUAJOBTJHFQEH-UHFFFAOYSA-N 388.729 2.930 0 40 GFAB O=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccc2c(c1)OCO2 3428826 DAHNHQXOSHAHEX-UHFFFAOYSA-N 383.429 2.798 0 40 GFAB CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCOCC 3525662 KHEFLKLCXDRVSI-UHFFFAOYSA-N 383.539 2.730 0 40 GFAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(OC(F)(F)F)cc1 4118606 NZKNKSMXZMNRES-UHFFFAOYSA-N 380.370 2.741 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 4166883 QXNLDVKMGFYFSP-UHFFFAOYSA-N 387.486 2.929 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1 4385074 NIYSNDXREZUQFW-MRXNPFEDSA-N 397.427 2.873 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 4497720 RBSJMZGXBGHWFY-KRWDZBQOSA-N 386.473 2.590 0 40 GFAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3C)nc21 4940468 NAWHJJWHIBUMAL-UHFFFAOYSA-N 389.415 2.582 0 40 GFAB CCOC(=O)c1cc(NC(=O)[C@H]2COc3ccccc3O2)cc(C(=O)OCC)c1 6258453 SOZPJHLJXUIJIN-GOSISDBHSA-N 399.399 2.819 0 40 GFAB C[C@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C[C@H](C)O1 6532154 LAUTXOHBLBGJLT-GJZGRUSLSA-N 386.521 2.932 0 40 GFAB O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6623467 WUXNCJYQHKAVRY-UHFFFAOYSA-N 398.444 2.685 0 40 GFAB CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2Cc1ccc(Cl)cc1 6760370 QCLTXLNFCUQPRG-UHFFFAOYSA-N 392.864 2.949 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 7056062 SZNDCIYSBXOTIG-UHFFFAOYSA-N 394.518 2.617 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7612589 OUTRQWAHMSQOSH-UHFFFAOYSA-N 388.445 2.791 0 40 GFAB O=C(/C=C/c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7671595 KXJXTVKLACEAGB-ZNFPLGDCSA-N 379.416 2.737 0 40 GFAB O=C(c1cncn1-c1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 8345384 JIVDVGAHEGWPRP-LJQANCHMSA-N 395.484 2.702 0 40 GFAB COc1ccccc1NC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 8395144 ZZRQXDLVBSYPCR-UHFFFAOYSA-N 378.435 2.596 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(C)=O)CC3)cc1F 8976887 CIIOGVHQDUPGRC-UHFFFAOYSA-N 378.425 2.540 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(Cl)cc1 9036653 NMUUCRRHIKGYOY-GFCCVEGCSA-N 382.844 2.811 0 40 GFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1 9419670 NNCIUWIEXGRORC-OLMNPRSZSA-N 387.480 2.591 0 40 GFAB COc1ccc(NC(=O)CCCSc2ccc(NC(C)=O)nn2)cc1OC 11793340 SNCHTXWNVBMJAM-UHFFFAOYSA-N 390.465 2.963 0 40 GFAB COc1cccc2s/c(=N/C(=O)c3cccc(N4C(=O)CCC4=O)c3)n(C)c12 11853048 KCGAAJYMWFMMQU-QZQOTICOSA-N 395.440 2.643 0 40 GFAB COc1ccccc1CNC(=O)CN1CCC(c2ccc3c(c2)OCO3)CC1 12113992 RFFXOMPQYICCQX-UHFFFAOYSA-N 382.460 2.920 0 40 GFAB Cc1cc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)ccc1Br 12538960 WDQOQXOUOWVADW-CQSZACIVSA-N 388.265 2.822 0 40 GFAB Cc1ccc(OS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C 12773554 CRNIIRJBIOPOBQ-UHFFFAOYSA-N 381.475 2.512 0 40 GFAB CC(C)CNC(=O)NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1 12884672 UXXNTGVIYNDVBL-LBPRGKRZSA-N 380.876 2.749 0 40 GFAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 14200839 JSNHWTHRBCNCBL-SUMWQHHRSA-N 376.478 2.926 0 40 GFAB Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=N[C@H]2c1cccnc1 14607533 XFXCCGYVXZYDBK-QGZVFWFLSA-N 380.839 2.718 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccc2nsnc12 19105131 XRWZLKJIRVDFMP-UHFFFAOYSA-N 377.447 2.631 0 40 GFAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CCOC)C1 19591085 UOVLYKPUUVQTRI-QHCPKHFHSA-N 395.503 2.682 0 40 GFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cnc(-c2ccc(Cl)cc2)nc1 19655031 VXEWJJFXFIHDHC-GOSISDBHSA-N 392.846 2.849 0 40 GFAB Cc1nccn1CCC1CCN(C(=O)c2ccccc2CN2CCOCC2)CC1 19657671 KFWBLKOXNIBDFW-UHFFFAOYSA-N 396.535 2.966 0 40 GFAB C[C@H](Nc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1)c1cccnc1 19717541 CWLBIJXLDWJTNB-UONOGXRCSA-N 388.431 2.657 0 40 GFAB Cc1cc(N2CCN(CCOc3ccc(F)cc3)CC2)cc([C@H]2CCNC2)n1 19739023 MQOGEQIUTDRMFI-SFHVURJKSA-N 384.499 2.807 0 40 GFAB COCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755649 GSKBKAZJSPRJIQ-KRWDZBQOSA-N 398.463 2.746 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 20016322 MDVAYHPCBZXDRD-NSHDSACASA-N 384.404 2.669 0 40 GFAB CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 20105644 BDPYAAFNWLNOJI-SFHVURJKSA-N 382.526 2.547 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450088 JUPMWRDZMFSEHR-FIFPYPGSSA-N 390.505 2.822 0 40 GFAB COc1cc(CNCCNC[C@H](C)O)ccc1OCc1cccc(Cl)c1 22074847 GUJNSHYZJVEAOZ-HNNXBMFYSA-N 378.900 2.988 0 40 GFAB COc1ccc(N2C[C@](O)(c3ccc(OC)cc3OC)[N+]3=C2CCCC3)cc1 22407664 WPZFDNGIFFOFBR-QFIPXVFZSA-N 383.468 2.973 0 40 GFAB COc1cc(NC(=O)[C@@H](C)On2nnc3ccc(Cl)cc32)cc(OC)c1 24035774 HYDKMGCHMLOTPF-SNVBAGLBSA-N 376.800 2.558 0 40 GFAB O=S(=O)(c1ccccc1Cl)N1CCN(CCOc2ccccc2F)CC1 24082979 SQKBVTOMOXUBTB-UHFFFAOYSA-N 398.887 2.864 0 40 GFAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1cccc(-c3nnco3)c1)C2=O 24740861 ISQWJYCVWNBPAB-GFCCVEGCSA-N 376.372 2.668 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)N1CCC[C@H](C)C1 28083968 FAUCCVDZHCUADH-HNNXBMFYSA-N 376.526 2.615 0 40 GFAB Cc1cc(N[C@H]2CC(=O)N(Cc3ccccc3)C2=O)ccc1N1CCCC1=O 32771830 PSMNDKCYEDTYFV-SFHVURJKSA-N 377.444 2.861 0 40 GFAB COC(=O)C[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1 32802285 RZYOFBGWNOASBB-QGZVFWFLSA-N 384.432 2.604 0 40 GFAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1cccc2ccccc12 32814370 SSTYRYBHEPXBAR-UHFFFAOYSA-N 393.424 2.831 0 40 GFAB O=C(CN1CCN(C(=O)Cc2cccc(F)c2)CC1)Nc1ccccc1Cl 35362786 HFELZNSWSNZRPS-UHFFFAOYSA-N 389.858 2.805 0 40 GFAB CCCn1c(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)n[nH]c1=O 40063409 WJNHRNKDTGAYDY-UHFFFAOYSA-N 394.457 2.517 0 40 GFAB COc1cccc([C@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCC2)c1 40068829 SDHXYJOLKHGCLM-FQEVSTJZSA-N 393.491 2.922 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116749 WTAYWIKLUMNMJG-DIFFPNOSSA-N 385.386 2.633 0 40 GFAB Cc1ccc(SCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 46836803 WVGJRRJWOTXYHA-UHFFFAOYSA-N 378.519 2.524 0 40 GFAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(O)c1C 52115893 HCWHAQNSNCYPJX-CYBMUJFWSA-N 382.416 2.930 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 55277929 UAIUBDICNDKACC-SFHVURJKSA-N 394.468 2.584 0 40 GFAB Cc1nc(-n2nnc(C(=O)NCc3nc(-c4ccccc4)no3)c2C)sc1C 56907867 FHBKSXQYVCKEAQ-UHFFFAOYSA-N 395.448 2.629 0 40 GFAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 57316271 KHHVFHKUCNIQSE-UHFFFAOYSA-N 390.553 2.994 0 40 GFAB C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)c1)n1cccn1 57991901 FSLPFYJZGXMYRC-CABCVRRESA-N 397.479 2.716 0 40 GFAB CN(C)c1ccc(Cl)cc1NC(=O)c1nc(N2CCOCC2)ncc1Cl 58017604 BPFNLCCXGAMNGD-UHFFFAOYSA-N 396.278 2.938 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2Br)C1 58026897 GPNDTUNRTVJHKD-LBPRGKRZSA-N 389.315 2.758 0 40 GFAB NS(=O)(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1Cl 58049957 CLVRIQOKLNAUPU-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1csc(S(N)(=O)=O)c1 58421903 HOOHRBLHRXRNDP-VIFPVBQESA-N 381.504 2.838 0 40 GFAB Cc1cc(N2C[C@@H](C(=O)OCC3(C)COC3)CC2=O)ccc1Br 66532103 IOKVNAFSTGXKLT-LBPRGKRZSA-N 382.254 2.690 0 40 GFAB C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(c2nnc3ccccn23)CC1 70754664 PJIIEKMMMKMNSJ-CYBMUJFWSA-N 384.871 2.984 0 40 GFAB CC[C@H]1CN(C(=O)c2cnn3c2CCCC3)CCC(=O)N1Cc1ccccc1 71750423 SESCHJAAVUYXFH-SFHVURJKSA-N 380.492 2.873 0 40 GFAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Br)cc1 72227678 JVUFMAVHLVFNIB-JKSUJKDBSA-N 375.222 2.636 0 40 GFAB C[C@@H]1N=C(O)c2ccccc2N(CC(=O)NCCSc2ccccc2)C1=O 72325817 ABABOXQPXPOQTO-AWEZNQCLSA-N 383.473 2.635 0 40 GFAB biogenic Cn1cc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc(Br)c1=O 89749927 MGLROHCHNKYYGD-UHFFFAOYSA-N 390.237 2.675 0 40 GFAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc2c(c1)CCO2 90607279 IWBFZILQKIVKIM-QGZVFWFLSA-N 387.867 2.633 0 40 GFAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 95469803 VRXQKZRGHRZMNK-AZUAARDMSA-N 380.444 2.910 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)n1 95476232 VKTCQTJAJPABAX-UHFFFAOYSA-N 386.433 2.981 0 40 GFAB CCC(CC)C(=O)N1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225266 FKEOIEXFDAZVFA-NRFANRHFSA-N 386.496 2.614 0 40 GFAB COc1ccc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccc(F)cc34)C2)nn1 96232828 NQLKOGZFCJDGLU-HNNXBMFYSA-N 397.454 2.681 0 40 GFAB CN(C)C[C@H](O)Cn1cc(NC(=O)Nc2ccccc2SC(F)F)cn1 97577460 IISDNSKXEAKBKL-LBPRGKRZSA-N 385.440 2.764 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)C(=O)O 98037977 NRIJKXQFZNYSEO-PIGZYNQJSA-N 392.477 2.985 0 40 GFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 100224953 ZCPNQXMNRGZWCC-RDJZCZTQSA-N 397.818 2.637 0 40 GFAB CS(=O)(=O)c1ccccc1NC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 106585878 ICBUHAQYGBNMGZ-ZDUSSCGKSA-N 395.431 2.769 0 40 GFAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1c(F)cccc1F 223054506 WSGRXBVNZKYNPY-UHFFFAOYSA-N 396.415 2.731 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc4c(s3)CCCC4)ccc21 223351306 BHLXIXKFCJXISL-UHFFFAOYSA-N 379.463 2.751 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccoc1)N1CCSCC1 239612057 FITGSDKYHDCSLT-INIZCTEOSA-N 396.534 2.665 0 40 GFAB COc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)CCN3C(C)(C)C2)cc1 253405012 RQGYXMVYVFHGRI-NRFANRHFSA-N 380.536 2.871 0 40 GFAB biogenic,in-vitro Cc1ncc(-c2nccnc2CC2CCN(C(=O)c3ccncc3)CC2)n1C 257272214 NBMFDCVTPOSHQB-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)ncn1 257294347 QTRYQWRYJPEWAH-HNNXBMFYSA-N 380.452 2.577 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1C 260833515 XPHMKPQBLITNPZ-OAHLLOKOSA-N 388.489 2.602 0 40 GFAB Cc1ccc(C(=O)N2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 306131763 KPFQONJUJNTBOV-HSZRJFAPSA-N 386.455 2.801 0 40 GFAB COC[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 408606518 KODLLIBVDSSSOR-MRXNPFEDSA-N 390.505 2.650 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 408622925 ODXBVTYQLIHSRV-MRXNPFEDSA-N 390.505 2.726 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2OC)cc1C 408625397 SMTCMZREVNYQTI-CQSZACIVSA-N 392.477 2.708 0 40 GFAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 408709231 QHHONPOYNMFFSQ-UHFFFAOYSA-N 379.460 2.957 0 40 GFAB CN1CCN(C(=O)NC2CCC(C(F)F)CC2)C[C@@H]1c1nc(C2CC2)no1 563102489 DRVMTIMPJGRQIX-UXUKBGGZSA-N 383.443 2.769 0 40 GFAB Cc1cc(CCNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1Cl 568460337 GBPABEYSAAFKCE-SJORKVTESA-N 378.904 2.777 0 40 GFAB Cn1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)n1 585087020 DBOMCTAZRVRXSS-SFHVURJKSA-N 384.480 2.783 0 40 GFAB O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccn(C2CCOCC2)n1 627449439 KCKGFFCDEHNFPN-UHFFFAOYSA-N 389.419 2.820 0 40 GFAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cc(C3CC3)n(C)n1)CC2 630161945 VQCXJHJBZOFWFF-KRWDZBQOSA-N 399.447 2.529 0 40 GFAB Cn1c(=O)c(CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)cc2ccccc21 664944117 GHACPRNAHGSSMD-YSIASYRMSA-N 377.419 2.815 0 40 GFAB Cc1nc(C)c(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)s1 1206166795 XNXVEKROSQHFIB-HZPDHXFCSA-N 377.535 2.512 0 40 GFAB COc1ccc(Cl)c(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)c1 1565556315 CLDBYLTYDWAJIY-UHFFFAOYSA-N 383.839 2.738 0 40 GFAB CCCn1cc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 1615118000 DRCVYUOHXVYHCM-UHFFFAOYSA-N 386.471 2.830 0 40 GFAB CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2cnc3n2CCC3)cc1 1638057939 COCGYQAOMOVPPM-UHFFFAOYSA-N 396.520 2.942 0 40 GFAB CCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 4038416 KWFXOJXCUWGAPY-UHFFFAOYSA-N 395.507 2.683 0 40 GFAB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 4087851 KMURKLYFYYTTJZ-QMMMGPOBSA-N 381.435 2.563 0 40 GFAB CC1CCN(C(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)CC1 4166652 HISKDSGTLOYPBV-UHFFFAOYSA-N 386.456 2.700 0 40 GFAB Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 4272574 GFNSLASWESSNDM-GOSISDBHSA-N 396.466 2.771 0 40 GFAB Cc1ccc(C(=O)NCCc2nnc3ccc(N4CCCCCC4)nn23)cc1 4358630 AKDMKRYLGRHGSW-UHFFFAOYSA-N 378.480 2.786 0 40 GFAB CCCNC(=O)CSc1nnc([C@@H](CC)N(C)C)n1Cc1ccccc1 4494477 FSVVXFXMSJGYOD-MRXNPFEDSA-N 375.542 2.957 0 40 GFAB COc1cc(-c2nnc(SCC(=O)N3CCCCC3)o2)cc(OC)c1OC 5019904 WDHQKGYRXQFZQN-UHFFFAOYSA-N 393.465 2.867 0 40 GFAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 5240361 JSGJWSQWPBGCKP-ZDUSSCGKSA-N 390.823 2.772 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O 5459758 GSJTXAUVGDWGDX-UHFFFAOYSA-N 395.507 2.540 0 40 GFAB Cc1cc(C)c(-c2cc([C@H](O)[C@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@H]3O)on2)c(C)c1 5665572 DMYYEBJEPXKXRC-QTMHVTGLSA-N 375.421 2.538 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1 6097166 BVITWJMPKQNIEO-UHFFFAOYSA-N 387.509 2.502 0 40 GFAB COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 6247587 OHYNBMMZLDWMFL-UHFFFAOYSA-N 384.505 2.574 0 40 GFAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)NC[C@@H]3CCCO3)c2)c1 6681256 NHLCXBMOXUSFEO-HNNXBMFYSA-N 394.518 2.790 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c(C)c1 7285614 VGBMSYUSPCLPEU-UHFFFAOYSA-N 398.532 2.766 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc1 7458022 XSVRVSPWCATFPV-UHFFFAOYSA-N 393.399 2.588 0 40 GFAB CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7685937 IHQASCHHYMYDMA-UHFFFAOYSA-N 394.880 2.924 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncnc2sccc12 7783880 KGIFVMBPFIKTPF-CYBMUJFWSA-N 391.522 2.501 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)c1cccs1 9134308 MGJDYBKYKGSAPS-INIZCTEOSA-N 397.378 2.531 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCN(C(=O)c2ccco2)CC1 9256584 VMQIJZYBFLVTIV-UHFFFAOYSA-N 395.459 2.575 0 40 GFAB CCN1CCN(c2ccc(NC(=O)c3ccc(NC(N)=O)cc3)cc2C)CC1 10262573 FLGORMNXQSIWIU-UHFFFAOYSA-N 381.480 2.880 0 40 GFAB Nc1nnnn1Cc1nnc(SCc2cccc(Cl)c2)n1-c1ccccc1 10337024 XBRWJNPNVYUSGI-UHFFFAOYSA-N 398.883 2.830 0 40 GFAB O=C(Nc1nnc(Cc2cccs2)o1)c1cccc(N2C(=O)CCC2=O)c1 11694645 GJXVXBPNEUUEPR-UHFFFAOYSA-N 382.401 2.628 0 40 GFAB COc1ccc([C@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 12017350 VVSVAJQQYLURHZ-UFYCRDLUSA-N 396.443 2.959 0 40 GFAB CC[C@@H](CO)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12241912 JGAXMEQDUPUBQF-AWEZNQCLSA-N 394.418 2.846 0 40 GFAB O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)NCc1ccncc1 12324945 VQMGJPXJQKTLDJ-UHFFFAOYSA-N 397.866 2.600 0 40 GFAB CC(=O)c1c(C)nn(CC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)c1C 12337425 GWJLWZXNAFRIHH-SFHVURJKSA-N 397.475 2.892 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1 12758683 FXQSDRMOMKPFSL-UHFFFAOYSA-N 397.460 2.651 0 40 GFAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4O)CC3)n2)cc1 12759352 GKQGAKZZWSDLAJ-UHFFFAOYSA-N 378.432 2.709 0 40 GFAB CCOc1ccc(OC[C@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)cc1 12793310 JUJSZLXETHDZHQ-OAHLLOKOSA-N 384.432 2.955 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)CC1 12805723 OOYMNHDFQDWQTO-LBPRGKRZSA-N 393.465 2.920 0 40 GFAB COc1cc(C2=NO[C@@H](C(=O)N3[C@@H](C)CCC[C@H]3C)C2)cc(OC)c1OC 12848285 NSTZUTOUKFVZJS-FHSNZYRGSA-N 376.453 2.995 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CC[C@@H]2N=C(O)N(Cc3ccco3)C2=O)c1 13656142 MJXWPYOEKOQPLP-INIZCTEOSA-N 399.403 2.500 0 40 GFAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c2ccccc2S1 14230163 YVKJNVGMIOVVKK-RBZFPXEDSA-N 399.472 2.964 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSc2ccccc2)cc1 14397828 ZBGNGWOJHZVKSZ-UHFFFAOYSA-N 378.519 2.995 0 40 GFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cnc2ccccn2c1=O 14848961 CUNJNAXGKLMMGF-UHFFFAOYSA-N 391.349 2.703 0 40 GFAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1ccccc1 15391264 MBIQLZWAISJPPY-MRXNPFEDSA-N 378.519 2.998 0 40 GFAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 15562135 CZAJCMLAPDNODC-CYBMUJFWSA-N 396.896 2.894 0 40 GFAB Cc1ccc(OCC(=O)OCc2ccc(C(N)=O)cc2)c(Br)c1 16128602 OWEUISAYWIOMBF-UHFFFAOYSA-N 378.222 2.979 0 40 GFAB CC(=O)OCc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)o1 19129282 ZSTMKSHISULAOV-OAHLLOKOSA-N 383.452 2.656 0 40 GFAB CN(C)C(=O)[C@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1 19298108 HPLXGZQKLMRAMF-GOSISDBHSA-N 397.500 2.701 0 40 GFAB O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ccc2c(c1)ncn2C1CC1 19714296 KDMLQMSFENEENM-NRFANRHFSA-N 391.475 2.570 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc2c1CCC(=O)N2C 19741304 URTPMQUGJRAYQY-CQSZACIVSA-N 396.495 2.560 0 40 GFAB CC(C)Oc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 20245834 GZYLZXJKCHDHFY-UHFFFAOYSA-N 391.493 2.969 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1 21840736 QFQNHBRQJIKBOU-KRWDZBQOSA-N 397.866 2.761 0 40 GFAB CCS(=O)(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 22286081 ULGIHEGYIXPPKY-UHFFFAOYSA-N 386.473 2.855 0 40 GFAB Cc1c(NC(=O)[C@H](C)N(C)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 23694585 BAFNNWJMRROISX-KRWDZBQOSA-N 378.476 2.943 0 40 GFAB COCc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 24252033 SOUGJOQYIIRVHT-UHFFFAOYSA-N 390.487 2.828 0 40 GFAB CC(C)(C)n1nnn(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1=S 25474872 WXMIWPMOTNLDLH-UHFFFAOYSA-N 394.932 2.633 0 40 GFAB CN(C)[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1 27587513 FUWBRGJWPIIYKN-LPHOPBHVSA-N 383.517 2.779 0 40 GFAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 28645320 NWCRERMPKGASAJ-QGZVFWFLSA-N 392.546 2.898 0 40 GFAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 31294713 JINRFYKIHXMQCH-SJCJKPOMSA-N 394.805 2.821 0 40 GFAB C[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 32736184 OATHRLUPSZQKPE-SFHVURJKSA-N 379.504 2.976 0 40 GFAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32797284 UXENSPPBZGRRTI-GOEBONIOSA-N 389.496 2.998 0 40 GFAB CN(CC(=O)NCc1ccco1)C(=O)c1ccccc1NC(=O)c1ccccc1 32988615 RLRLWKGSKDZVGZ-UHFFFAOYSA-N 391.427 2.920 0 40 GFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cnn(-c2ccccc2)c1 36394843 YXBVMNVSVSHLKN-INIZCTEOSA-N 377.448 2.741 0 40 GFAB COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 38490344 CBIAHCFWJFIDEA-RTWAWAEBSA-N 378.472 2.712 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc3ccccn23)C1 40049199 ZMNQZSKZYKKPFH-MRXNPFEDSA-N 378.432 2.797 0 40 GFAB CC(C)C[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N1CCOCC1 40104930 BBNTWSQUCHLTKM-FQEVSTJZSA-N 385.512 2.800 0 40 GFAB O=C(c1ccc(OCc2cccnc2)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 48311606 OFDXCARISIYHCQ-QFIPXVFZSA-N 395.503 2.988 0 40 GFAB Cc1ccc(C)c(-n2ccnc2S(=O)(=O)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 48333896 BFJFXNKKVMOZAQ-IYBDPMFKSA-N 389.521 2.767 0 40 GFAB O=C(O)CCCCCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49547666 BAVKLPQOEVLGSW-UHFFFAOYSA-N 393.443 2.825 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccnc1N1CCSCC1 51990069 BREHRDRCGOAMQT-UHFFFAOYSA-N 391.518 2.599 0 40 GFAB O=C(NCCC(=O)N1CCc2sccc2C1)c1c(Cl)nc2ccccn12 52080931 AIINJUYRTNSULP-UHFFFAOYSA-N 388.880 2.754 0 40 GFAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccoc1 55591625 SLBYMHNAULTMEK-UHFFFAOYSA-N 377.828 2.831 0 40 GFAB CCNC(=O)CN1CCCN(C(=O)c2sc3ccccc3c2Cl)CC1 56925845 AQFVDSCJFWUYJL-UHFFFAOYSA-N 379.913 2.839 0 40 GFAB CCOc1ccc(C[C@@H](CNC(=O)Nc2ccc(F)cc2F)C(N)=O)cc1 58166050 UGYAHHODHHDULF-ZDUSSCGKSA-N 377.391 2.829 0 40 GFAB Cc1c(C(=O)NCCCN2CCC[C@@H](C)C2)nnn1-c1ccc2ncccc2c1 66822913 QUJBNQNFYXBERH-MRXNPFEDSA-N 392.507 2.976 0 40 GFAB Cc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)nnn1-c1cccc2ncccc12 66839000 NNBMDCQPLKKWKU-INIZCTEOSA-N 390.491 2.871 0 40 GFAB Cc1c(C(=O)N(C[C@H]2CCOC2)C2CC2)nnn1-c1cccc2cccnc12 67269829 CWCYEMODEIDZBT-OAHLLOKOSA-N 377.448 2.765 0 40 GFAB Cc1csc(CNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)n1 70008218 AAOGRBAXQFPLBI-UHFFFAOYSA-N 398.465 2.759 0 40 GFAB Cc1cc(C)n(-c2ccc3nnc(CCC(=O)NC4CCCCCC4)n3n2)n1 71282389 YNXPAACXKYPQGS-UHFFFAOYSA-N 381.484 2.698 0 40 GFAB COc1ccc(C2=NC(C)(C)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 71327826 QQVDMLNLENEMEZ-UHFFFAOYSA-N 383.423 2.518 0 40 GFAB O=C(Nc1cc(F)ccc1F)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O 77099318 MFCVABMFWOXPPY-UHFFFAOYSA-N 391.761 2.769 0 40 GFAB Cc1ccccc1-n1nnc(C(=O)NCCCn2cccn2)c1-c1ccncc1 77100790 BBKIICJSTFABGR-UHFFFAOYSA-N 387.447 2.654 0 40 GFAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NS(=O)(=O)c2cccnc2)C1 77200264 RVZUVIJZVOXILN-HOTGVXAUSA-N 375.450 2.920 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)cc1 84726634 BCQMJOSVQGTXIU-SECBINFHSA-N 390.387 2.758 0 40 GFAB COC(=O)C1(NC(=O)CNc2cc(Cl)ccc2NC(C)=O)CCCCC1 95984807 FXUUVXAFAGPGTM-UHFFFAOYSA-N 381.860 2.702 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)C1CCOCC1 95998587 UBSWEBGLRHAYEE-IBGZPJMESA-N 387.455 2.955 0 40 GFAB CC(C)(C)n1cc(C(=O)Nc2ccnn2C[C@H]2CCOC2)c(Br)n1 96001948 WDZPHMPMHLSOBN-LLVKDONJSA-N 396.289 2.886 0 40 GFAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)ccc21 96183062 CTSRMDIQNAFBIN-ZIAGYGMSSA-N 380.510 2.519 0 40 GFAB CCCS(=O)(=O)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 96225414 KZMSXCZMHPTIID-KRWDZBQOSA-N 399.900 2.629 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c(Cl)c1 100033026 IOZKNBMWIVVUEK-IAGOWNOFSA-N 397.822 2.580 0 40 GFAB COCC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 100223388 TZGABZRILUHGOW-IJEWVQPXSA-N 381.542 2.916 0 40 GFAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 100750067 AKIBINSBYHFUTE-ZWCUEREDSA-N 380.492 2.819 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 224156997 VPJHEJSTMNBZCQ-OAHLLOKOSA-N 390.505 2.901 0 40 GFAB CCOc1ccc(S(=O)(=O)NCC2CCN([C@H]3CCSC3)CC2)cc1C 225573713 NWTGPLXUHKHCFM-KRWDZBQOSA-N 398.594 2.890 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccccc3OC)ccc21 225694295 KQXFLNBSSIGITR-UHFFFAOYSA-N 392.502 2.912 0 40 GFAB O=C(Cc1ccccc1F)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247869208 PZLTVEHMGWBCIC-KRWDZBQOSA-N 379.497 2.898 0 40 GFAB CN(CC(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1)Cc1ccccn1 257210842 BWJRZVQHZJZKTK-DQLDELGASA-N 383.467 2.969 0 40 GFAB COC[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCN(C(C)=O)C1 257236223 HBGSQICKWVQQJL-LJQANCHMSA-N 396.487 2.979 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccccn4)C[C@H]32)cc1 306124313 BMMYKKYWDIUCNR-FCHUYYIVSA-N 388.471 2.973 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1C 408606275 OMGFAUJFGNAMOB-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB COCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408998685 BSMRLNKASBOCDQ-LJQANCHMSA-N 390.505 2.557 0 40 GFAB COCCn1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)cc21 524731179 MTPYPRWZACQCFT-LSTHTHJFSA-N 395.503 2.761 0 40 GFAB biogenic O=C(c1ccc(-n2cncn2)nc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 567026683 OJKNQRVDIVKALH-UHFFFAOYSA-N 387.447 2.634 0 40 GFAB CCCn1/c(=N\C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n(CC)c2ccccc21 585079455 GTMRCVHXYQLABU-LBNMDVIHSA-N 382.508 2.949 0 40 GFAB O=C(C[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21)NCc1cccs1 585095860 QZQAJAXKKGGSMB-INIZCTEOSA-N 396.472 2.554 0 40 GFAB O=C(CCc1cccnc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111462 AZOHGYOQQUOPAR-FQEVSTJZSA-N 376.460 2.689 0 40 GFAB CC(C)Cn1c([C@H]2CCCN2C(=O)CCCn2cnnn2)nc2ccccc21 1614475134 OSDLWRRRRSQQKY-GOSISDBHSA-N 381.484 2.823 0 40 GFAB COc1cccc2cc(C(=O)N(C)C3CN(c4cc5c(nn4)CCC5)C3)oc12 1888906442 AZSAORGNYHJWRI-UHFFFAOYSA-N 378.432 2.681 0 40 GFAB Cc1ccn(-c2ccc(N3CCN(c4nc5ccccc5nc4C)CC3)nn2)n1 1889227620 XKIJUGZFWVFPKE-UHFFFAOYSA-N 386.463 2.549 0 40 GFAB C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)C1 1261874 CYGSUXXNAZHIOM-HOTGVXAUSA-N 395.507 2.538 0 40 GFAB CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2094536 CTDJCYDSJKIMLD-BLLLJJGKSA-N 375.421 2.882 0 40 GFAB biogenic CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2150758 SVCBOTIKJUIHHB-DOMZBBRYSA-N 375.421 2.801 0 40 GFAB biogenic C[C@@H](c1nnc(SCCNCCO)n1-c1ccc(F)cc1)N1CCCCC1 2639166 VUJQSMRBEBYUKO-HNNXBMFYSA-N 393.532 2.627 0 40 GFAB COc1cc(C(=O)OCC(=O)NCc2ccccc2Cl)cc(OC)c1OC 3452029 ONYAFECNRSZTCA-UHFFFAOYSA-N 393.823 2.839 0 40 GFAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)CN(C)C)C2)C3)cc1 4237470 VBDBIFDBWQAPIY-DOTOQJQBSA-N 397.544 2.745 0 40 GFAB biogenic,in-vitro COc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)C(=O)c2ccco2)cc1 4326342 RCPCFGLABKSTLI-SLDRDFCHSA-N 392.411 2.700 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 4521954 MMQCEJOKYFKMST-UHFFFAOYSA-N 394.518 2.908 0 40 GFAB COc1cc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)cc(OC)c1 4852618 YDABRUOLPIGRBR-UHFFFAOYSA-N 381.436 2.795 0 40 GFAB O=C(CSc1nc(-c2cccs2)n[nH]1)NC[C@H]1COc2ccccc2O1 5216288 POFLONLIVORNRC-NSHDSACASA-N 388.474 2.582 0 40 GFAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1cc(=O)n2ccsc2n1 6101410 XTYLTZOEXSYPLD-UHFFFAOYSA-N 380.212 2.859 0 40 GFAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 6655888 KTIWZWHUWUYEEZ-INIZCTEOSA-N 382.526 2.711 0 40 GFAB Nc1nc(N)nc(CSc2nc3ccccc3n2CCc2ccccc2)n1 6929141 JMXJLOQXWXTUGL-UHFFFAOYSA-N 377.477 2.921 0 40 GFAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)N1CCNC1=O 7205096 QZUIVWXYNFAHIW-UHFFFAOYSA-N 385.493 2.959 0 40 GFAB Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(C)n1C 7779582 HPLXYNDOONNFGH-UHFFFAOYSA-N 385.416 2.802 0 40 GFAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7988384 FPSKPKPMTHYGHT-GOSISDBHSA-N 391.427 2.601 0 40 GFAB O=C(O)COc1cccc(NC(=O)COc2ccccc2Br)c1 8215278 WUDDTVFPDSOTTL-UHFFFAOYSA-N 380.194 2.930 0 40 GFAB Cc1cccc(-n2nnnc2SCC(=O)N[C@@H]2CCOc3ccccc32)c1 8718446 ILWZQXKQCASXAS-MRXNPFEDSA-N 381.461 2.703 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(C)=O)CC3)c(OC)c1OC 9034907 YTXBPLAUKRMZAF-UHFFFAOYSA-N 384.432 2.869 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2cnc3ccccc3n2)C1 9319810 HCNVIANBSJFHRQ-INIZCTEOSA-N 390.443 2.891 0 40 GFAB Nc1c(C(=O)CSc2c(Cl)cccc2Cl)c(=O)[nH]c(=O)n1C1CC1 9577155 KGDWZEHDUSNOQY-UHFFFAOYSA-N 386.260 2.736 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(NC(C)C)s2)CC1 9921820 ZJAZBRDXSTXFDU-NSHDSACASA-N 386.543 2.641 0 40 GFAB Cc1cnc(NC(=O)[C@@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)s1 10556203 MIAFNLLHHUDTTD-CYBMUJFWSA-N 392.506 2.543 0 40 GFAB CCCCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCS(=O)(=O)C1 10641517 WDIHVFIZSSMMJM-LJQANCHMSA-N 389.521 2.919 0 40 GFAB CCN1CCN(c2ccc(NC(=O)CCNC(=O)c3cccc(C)c3)cc2)CC1 11944410 CCFVYNCELUJOSU-UHFFFAOYSA-N 394.519 2.896 0 40 GFAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 12146742 JYQCNQQNLVAEDE-UHFFFAOYSA-N 378.816 2.985 0 40 GFAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCC(F)F)CCOCC2)C1 12157562 CFUYGGUIADYNBT-CYBMUJFWSA-N 382.407 2.756 0 40 GFAB CNC(=O)C1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 12334778 AMEIPRGOTVVLCQ-QGZVFWFLSA-N 379.504 2.989 0 40 GFAB C[C@@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 12520138 HZVAJZIMHOFSPR-CYBMUJFWSA-N 390.399 2.607 0 40 GFAB Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(=O)(=O)N(C)C 12680066 WQGLUVFQFQDCLV-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB O=C1O[C@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)Cc2ccccc21 12906853 UYPDOFZPBZJHJE-SFHVURJKSA-N 388.427 2.950 0 40 GFAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12973303 JOXWPIRCMGQKRW-AWEZNQCLSA-N 378.432 2.898 0 40 GFAB COc1ccc(C)cc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582898 VRYPRQMWNLXUQZ-UHFFFAOYSA-N 378.450 2.660 0 40 GFAB COc1cc(CNS(=O)(=O)Cc2ccccc2Cl)cc(OC)c1OC 13632669 KQKUCNVUDSMCBT-UHFFFAOYSA-N 385.869 2.985 0 40 GFAB Cc1nn2c(nc(N3CCN(c4ncccn4)CC3)c3ccccc32)c1Cl 14248280 GZQKZCXQCOSIKW-UHFFFAOYSA-N 379.855 2.961 0 40 GFAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H]1c1cccs1 14930010 YZYFIQSNJHANAG-IUODEOHRSA-N 379.507 2.560 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC2CC2)c1 16106139 MHWJDVZLXHVDPL-UHFFFAOYSA-N 399.472 2.506 0 40 GFAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]2CC[C@@H]1C2 17077094 MOOIWKWMSIFBDR-CIRFHOKZSA-N 376.884 2.731 0 40 GFAB CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)CCO3)CC1 19021060 BTPICNHHCPTRKN-OAQYLSRUSA-N 380.488 2.782 0 40 GFAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1 19401689 PUZKCQXGPOGINM-QGZVFWFLSA-N 377.448 2.774 0 40 GFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC(C)C)CCO1 19446538 GFCFGUVNWNOYJN-HSZRJFAPSA-N 395.503 2.681 0 40 GFAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2sc(C)nc2C)C1 19560008 GFYNKRLRQCIEQY-FQEVSTJZSA-N 385.489 2.729 0 40 GFAB COc1cccc(CNc2nc(CCn3ncc4c3CCCC4)cc(=O)[nH]2)c1 19565691 RRRRLNIOEXQRQQ-UHFFFAOYSA-N 379.464 2.709 0 40 GFAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@H]1CCCO1 19696477 PUISYEFZTKJQPO-GCJKJVERSA-N 397.475 2.560 0 40 GFAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)o1 19748089 KFZJNDZBAONZKJ-MRXNPFEDSA-N 380.448 2.594 0 40 GFAB CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2ccc(C)nc21 20676805 PJHXFJNXAKZHMB-UHFFFAOYSA-N 390.487 2.683 0 40 GFAB O=C1CCc2ccc(OCc3noc(C(=O)NCCc4ccccc4)n3)cc2N1 20725986 JNCTYWJVCIBHLP-UHFFFAOYSA-N 392.415 2.506 0 40 GFAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)ccc21 21962887 VRXSVVSFABVRGT-UHFFFAOYSA-N 393.487 2.704 0 40 GFAB CCCOc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1OCC 22693351 ZORFZBGVJABIAI-GOSISDBHSA-N 378.513 2.961 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 28609436 MIOXYBHBLIPLNQ-KRWDZBQOSA-N 396.443 2.534 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(Br)c2)cc1 32755046 CFDUAQVGMKNQFI-UHFFFAOYSA-N 391.264 2.620 0 40 GFAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ncccn2n1 36618765 XTXUNSNGWUPJGZ-UHFFFAOYSA-N 395.426 2.907 0 40 GFAB CN1CCN([C@H](CNC(=O)c2ccc3nsnc3c2)c2ccc(F)cc2)CC1 38630938 KHPUZLYVDIFWRS-LJQANCHMSA-N 399.495 2.549 0 40 GFAB CC1(C)Cc2cccc(OCCNC(=O)Cn3ccc(C(F)(F)F)n3)c2O1 40074737 LLEYHPQVXKTDMA-UHFFFAOYSA-N 383.370 2.811 0 40 GFAB O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2[nH]cnc2c1 41568913 SHLZLKKHTXTPPM-UHFFFAOYSA-N 377.492 2.895 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(C)C[C@@H]1COc2ccccc2O1 43829669 JQDPGHVDQVLBNO-CQSZACIVSA-N 390.461 2.702 0 40 GFAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)c2n1 48237509 OLYQRFCPKSLGCL-HUUCEWRRSA-N 380.452 2.607 0 40 GFAB CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)CC(=O)N1CCOCC1 57473783 FRUZIJBUVKTDFU-UHFFFAOYSA-N 391.471 2.808 0 40 GFAB COc1cc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)cc(OC)c1 57526447 FAVUDSOIDLKUDW-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c(-c2ccccc2)noc1=O 60107106 AZEXLPFFLQZHQB-UHFFFAOYSA-N 397.431 2.569 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 62006720 ZWOXEUMXUGCFGY-UHFFFAOYSA-N 381.823 2.953 0 40 GFAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H](C)CC3)cc(C3CC3)nc21 63273553 SUDPJBOVYPHFOI-AWEZNQCLSA-N 398.507 2.880 0 40 GFAB COCCN1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 65474617 OJYBYHMFNIYULZ-OAHLLOKOSA-N 395.341 2.955 0 40 GFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)N(C)c2ccccc2)c(=O)c1CCO 67300942 FZFSQBYNKKYKPI-UHFFFAOYSA-N 395.434 2.556 0 40 GFAB COCC(=O)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 72352649 JDVRSOCLPNTHKW-CYBMUJFWSA-N 396.472 2.906 0 40 GFAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C4CCOCC4)C3)n2)n1 72382590 LUQLURLHPWQFHR-QGZVFWFLSA-N 396.495 2.678 0 40 GFAB Cc1c(OCC(F)(F)F)cc[n+]([O-])c1C[S@@](=O)c1nc2ccccc2[nH]1 77301754 OBGHBYDDJGHGNS-SANMLTNESA-N 385.367 2.754 0 40 GFAB in-vitro COCC1CCN(c2nc3cccnc3nc2N2CCC(COC)CC2)CC1 79099376 GHXGXUFCQCQEPG-UHFFFAOYSA-N 385.512 2.750 0 40 GFAB O=C([C@@H](c1ccccc1)n1cnnn1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 80329079 PPSJSUGVAQKYGD-LJQANCHMSA-N 392.850 2.982 0 40 GFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)cc1 84726642 DFBMRDHMQGSPLS-CQSZACIVSA-N 399.476 2.596 0 40 GFAB NC(=O)CN1CCC(N[C@@H](c2ccncc2)c2cccc(C(F)(F)F)c2)CC1 95466835 VCZJUGGDDLZPML-IBGZPJMESA-N 392.425 2.729 0 40 GFAB CC(C)C[C@@H]1C[C@@H](NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CCO1 95991612 JNPHRNZIVASKAZ-XUVXKRRUSA-N 378.488 2.909 0 40 GFAB O=C([C@H]1Cn2ccnc2C2(CCN(Cc3cccc(F)c3)CC2)O1)N1CCCC1 96243695 ULJUWXWYOCGEKJ-LJQANCHMSA-N 398.482 2.535 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)Cc3ccccc3Cl)C2)cc1 96377842 YDFPQJHEIAYLMH-UHFFFAOYSA-N 379.865 2.576 0 40 GFAB O=C(O)c1ccc(I)c(I)c1F 98174811 LAUGMFDHJCLPGT-UHFFFAOYSA-N 391.905 2.733 0 40 GFAB Cc1cc(O)c2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(=O)oc2c1 100765756 VLOGMKZYJPGCIT-OKILXGFUSA-N 387.432 2.665 0 40 GFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100801104 OFDYCTCARALERY-ODJDQKDNSA-N 390.439 2.678 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 101229124 PKAUUKDVIYWDQE-LUVWLHFXSA-N 381.428 2.770 0 40 GFAB COC(=O)Cn1/c(=N\C(=O)c2ccnn2C(C)C)sc2cc(F)cc(F)c21 101335433 HHHNOBRAZSJJCB-HEHNFIMWSA-N 394.403 2.673 0 40 GFAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)C)cc1 101993606 HFTTWJOZPDZNPT-NXWNEQKCSA-N 390.476 2.976 0 40 GFAB CCn1c(S)nc2cc(C(=O)Nc3cc(C(=O)NC)ccc3C)ccc2c1=O 102801108 RIIJJYBCUYSJCA-UHFFFAOYSA-N 396.472 2.625 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCC1=CCCCC1 219434765 QCLMPEPWXQLBPL-UHFFFAOYSA-N 376.478 2.618 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)cc1 222630393 ABWGLBOJDBHXAY-UHFFFAOYSA-N 394.468 2.550 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3ccccc3c2)cc1 222821578 IRBZQCOLPZPDFS-UHFFFAOYSA-N 398.484 2.785 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC(C)(C)C 223445689 IKDIXYNPZQHRLT-UHFFFAOYSA-N 382.526 2.717 0 40 GFAB COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223541016 ASFMZINBWBJEFX-OAQYLSRUSA-N 384.476 2.938 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2C(C)C)c1 223829905 QNUUIXAUJSSSBC-UHFFFAOYSA-N 377.462 2.954 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C 223862992 WMLMHYGFLBUHKL-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 223998292 YEPVDRBGHRURFD-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 224170374 JLAXCUJMYQCVIU-UHFFFAOYSA-N 399.447 2.976 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccccc2)cc1 224805184 KHEBWLLYFMIHKN-UHFFFAOYSA-N 392.546 2.778 0 40 GFAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccco1)c1cccs1 240122614 WDKUVLXBLJFEKT-HXUWFJFHSA-N 388.489 2.700 0 40 GFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242592284 OPRHAAALUFSPQH-LMMKCTJWSA-N 393.892 2.849 0 40 GFAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCN(c3ccccc3F)CC2)n1 256049167 YNFZDZMRACKGNR-UHFFFAOYSA-N 395.438 2.994 0 40 GFAB Cc1nccc(C(=O)N2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)n1 257309004 TZCYHNZRQSKJGR-YZGWKJHDSA-N 396.466 2.809 0 40 GFAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)Cc3ccc(C)cc3)C2)nc1C 257332287 XWPPYGWNYRIHSQ-IBGZPJMESA-N 394.519 2.639 0 40 GFAB CC(=O)c1cccc(N(CC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)c1 260793374 OIWRLNQDCLSVKE-HNNXBMFYSA-N 388.489 2.575 0 40 GFAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 408709139 OXEZMJKTHFNSST-UHFFFAOYSA-N 391.427 2.773 0 40 GFAB Cc1nnc2ccc(C(=O)N[C@@H]3CCN(c4ccccc4OC(F)F)C3)cn12 507426138 TXMKRJIFFFWJOO-CQSZACIVSA-N 387.390 2.648 0 40 GFAB COCCNC(=O)C[C@@H]1CN(Cc2cccc(Cl)c2)Cc2cccn2C1 585099074 HXCFQVNSXVDWQZ-QGZVFWFLSA-N 375.900 2.926 0 40 GFAB Cc1ccc(OCC2(O)CCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1 585272963 LTZBPUOWMLCQCY-UHFFFAOYSA-N 386.467 2.656 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 585291739 BXDBNSLKTCGKDA-ZMBJWTFHSA-N 386.459 3.430 0 40 GFAB CCn1c(=O)n(CC(=O)N2CCCC[C@@H]2Cn2nc(C)cc2C)c2ccccc21 599012292 AWTHGZBOBPZHOB-GOSISDBHSA-N 395.507 2.718 0 40 GFAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(c2nnc(N)o2)CC1 636130970 SUBBIMSHZJIANZ-JTQLQIEISA-N 384.358 2.844 0 40 GFAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCC[C@@](O)(C2CC2)C1 663751153 YMJYAQPZIKLFPM-NRFANRHFSA-N 393.478 2.876 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 828598372 AHKAIONNMWRUOE-ZDUSSCGKSA-N 397.547 2.839 0 40 GFAB Cc1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)ccn1 1615161608 ZTWQUUVANQKVJT-NRFANRHFSA-N 383.423 2.567 0 40 GFAB Cc1ncccc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985064 WTKQWKFCBBEEMP-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB COc1ccc2nc(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)ccc2c1 2086889539 PESBJCCZQKYMTR-UHFFFAOYSA-N 375.494 2.636 0 40 GFAB Cc1cc(C)c(OC[C@H](O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(C)c1 1323442 KWKRIGZKAKCZPZ-XUVXKRRUSA-N 382.504 2.633 0 40 GFAB S=C(NC[C@H]1CCCO1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 1349613 ACSLIDFTZZIDFE-MRXNPFEDSA-N 388.562 2.986 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 4249449 MEDRVCLGLVNHEQ-GFCCVEGCSA-N 387.871 2.748 0 40 GFAB COc1ccccc1-n1c(C)cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 4250611 HAQGPGGINIRDIN-UHFFFAOYSA-N 395.463 2.502 0 40 GFAB CCCOc1ccccc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4295497 STRQNYLPBSAHGW-HNNXBMFYSA-N 377.462 2.898 0 40 GFAB CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 4688259 WBCOFCLVZKNFFO-BOPFTXTBSA-N 399.472 2.556 0 40 GFAB O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(F)cc1F 5150782 QEVKMDWEDAPHNA-UHFFFAOYSA-N 387.371 2.870 0 40 GFAB Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(O)c2)N(CCO)C3=O)cc1Cl 5343380 SKQQYTNKDAQPKB-IBGZPJMESA-N 399.834 2.987 0 40 GFAB CCOC(=O)c1cc(OCc2ccc(C(=O)OC)o2)cc(C(=O)OCC)c1 5348128 DURNRGHSZJCASS-UHFFFAOYSA-N 376.361 2.999 0 40 GFAB O=C(O)c1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 5696078 UJQBYDNBLYNXSP-DTQAZKPQSA-N 377.400 2.661 0 40 GFAB COc1ccc(CN(C)C(=O)CSc2nnnn2-c2cccc(C)c2)cc1 5938124 QDBKAMVYPJBGME-UHFFFAOYSA-N 383.477 2.730 0 40 GFAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 6022823 NVGVAQVZMFLSOO-UHFFFAOYSA-N 388.489 2.732 0 40 GFAB CC(=O)Nc1ccc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 7026521 NVRCYFQATUYZBG-UHFFFAOYSA-N 378.475 2.992 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCSc3ccccc3)C2=O)cc1 7827226 XKIMQYLEJSXWHX-NRFANRHFSA-N 397.500 2.671 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C)n2N)c2ccccc2)c1 8139883 MXAPYKIGDYPVPQ-QGZVFWFLSA-N 381.461 2.975 0 40 GFAB C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 8268058 RFYVNMMTICOXOL-PFSWGADMSA-N 388.445 2.853 0 40 GFAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)NCc2ccco2)s1)C1CC1 8314201 KOBTYNUQYBOYDW-SNVBAGLBSA-N 380.495 2.834 0 40 GFAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)no1 8414159 VITNYMXOJVEVNJ-UHFFFAOYSA-N 379.800 2.845 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3o2)s1 8943130 GWDGBFPYFHVGEA-UHFFFAOYSA-N 396.515 2.956 0 40 GFAB O=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1cccnc1 9001438 RGCUVWBUVFLKCD-UHFFFAOYSA-N 396.809 2.842 0 40 GFAB Cc1ccccc1C(=O)N1CCN(c2ccc(N3CCC(C)CC3)nn2)CC1 10213337 YSDNLKHCMFQKHK-UHFFFAOYSA-N 379.508 2.984 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10227790 PBNYQARRNOULMV-AUUYWEPGSA-N 380.444 2.785 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1C 10301260 LPFKZGNOIYXZBO-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 10449890 WJVJWLWREKMMBY-ZIAGYGMSSA-N 376.453 2.958 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 10538390 WNJIKIIITVXMBN-GHXNOFRVSA-N 376.463 2.773 0 40 GFAB Cc1ccnc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)c1 11097410 MTAHVGYSVQLASN-MRXNPFEDSA-N 380.448 2.838 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1N 11592209 CTCZUGNVEULIFX-ZDUSSCGKSA-N 387.534 2.950 0 40 GFAB COc1cc(C(=O)N2CCC(C(=O)c3cccnc3)CC2)cc(OC)c1OC 12143296 OVGLSRGIOCHOMI-UHFFFAOYSA-N 384.432 2.843 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccnn3C(C)C)CC1)O2 12225814 ZKTJLMIVGLDEKT-UHFFFAOYSA-N 382.464 2.570 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCCn2c(C)nc3ccccc32)c1C 12607613 OVWCMEZEWMJSFF-UHFFFAOYSA-N 387.461 2.638 0 40 GFAB C[C@@H](CC(=O)N[C@@H](c1ccccc1)c1nccn1C)NC(=O)c1ccccc1 12735670 NSKIWBGYTYKYON-JXFKEZNVSA-N 376.460 2.834 0 40 GFAB Cc1cc(=O)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nn1-c1ccccc1 12794939 LWFXHQWCMRQIAQ-IBGZPJMESA-N 388.471 2.545 0 40 GFAB CC(C)n1ncc2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cnc21 12971660 VRHUBXIILIMPJZ-KRWDZBQOSA-N 399.520 2.877 0 40 GFAB CC(=O)c1c(C)nc(C)nc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 12997814 HUVQZSJQAUTHEY-UHFFFAOYSA-N 398.488 2.919 0 40 GFAB O=C(O)c1cccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 13313517 IYBKVRGKARWXRJ-UHFFFAOYSA-N 388.489 2.849 0 40 GFAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccccc1)S(C)(=O)=O 13711095 WNZGTURWZXVFQZ-QGZVFWFLSA-N 392.477 2.887 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCN(c3ncnc4ccccc34)CC2)cc1 14158689 GPCYCEPHJUTRIH-UHFFFAOYSA-N 382.489 2.839 0 40 GFAB CCCCN(C(=O)C[C@H](C)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O 14822643 ZAMPHWCLEQSHON-HNNXBMFYSA-N 386.496 2.856 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3)ccc21 15328760 MEHMXRXRJOGYOT-UHFFFAOYSA-N 376.453 2.946 0 40 GFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCc1cccs1 15934622 XJRRZOUVJXOGHR-INIZCTEOSA-N 378.519 2.681 0 40 GFAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)N4CCC[C@@H](O)C4)CCOCC3)C2)cc1 19208859 DUJNTFQAEBPLGY-RTBURBONSA-N 386.492 2.658 0 40 GFAB COCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19240853 GOJNUSWAGKUZAS-SFHVURJKSA-N 381.480 2.769 0 40 GFAB O=C1CCCN1CCCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 19350089 ITONKCPYDAGQSP-UHFFFAOYSA-N 386.427 2.845 0 40 GFAB CCN1CCN(C(=O)CCOC)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527570 WYRQNGOBHLNDQH-OAQYLSRUSA-N 395.503 2.635 0 40 GFAB COc1cc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccccn3)C2)cc(OC)c1OC 19549908 GWVPVRAGRRXXMC-JKSBSHDWSA-N 384.476 2.837 0 40 GFAB COCc1ccc(C(=O)NCc2cc(N(C)C)nc(-c3ccncc3)n2)cc1 19584646 OPBQDODOMPIXDN-UHFFFAOYSA-N 377.448 2.681 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)n1 21488406 IXFDXEFQDZAOHU-UHFFFAOYSA-N 378.498 2.899 0 40 GFAB Cc1ccc2nc(COc3cccc(C(=O)NCC(=O)NC(C)(C)C)c3)cn2c1 22375442 XRNSNUBNNRFZIE-UHFFFAOYSA-N 394.475 2.866 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2cccc3cccnc23)CC1 22515476 NQHLYKRWBXTOBK-NRFANRHFSA-N 389.455 2.719 0 40 GFAB Cc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)n2)cc1 22707774 HIQMAJIPIZBZSO-UHFFFAOYSA-N 384.399 2.989 0 40 GFAB O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccccc3)co2)CC1 22852820 BKXOEWJWKLBFJH-UHFFFAOYSA-N 394.427 2.770 0 40 GFAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCOCC2)cc1 22854282 ZPEWBBXOTVHBEN-INIZCTEOSA-N 388.493 2.879 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CCCCC1 22907298 ZJNFHNJSOVGDBZ-HXUWFJFHSA-N 395.503 2.944 0 40 GFAB O=C(CCSc1nnc(-c2ccncc2)o1)NC(=O)NCc1ccccc1 23006242 TZAXUTGXBOXZSJ-UHFFFAOYSA-N 383.433 2.640 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 24096991 YTWKPMWKNUKDRT-IBGZPJMESA-N 381.451 2.904 0 40 GFAB COC(=O)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 24209500 ZMLCMROUSINCBW-FQEVSTJZSA-N 382.460 2.585 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(F)c(F)c1 24837367 SOJOGPZUBZHOLP-GFCCVEGCSA-N 387.386 2.801 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CCOc1ccc(F)cc1 24842346 XMIXVOBGYRPNLZ-OAHLLOKOSA-N 385.439 2.900 0 40 GFAB CCOc1ccccc1N1CCN(C(=O)N[C@H](C)c2nnc3ccccn23)CC1 26277498 ISNCAWDETSYVGV-MRXNPFEDSA-N 394.479 2.721 0 40 GFAB CC(C)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)cc1 26962916 SNUURJOKQVUUPY-ZDUSSCGKSA-N 396.456 2.552 0 40 GFAB COC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(C)cc1 31072350 QXDBOPCBGBCQFC-AWEZNQCLSA-N 391.474 2.582 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 31498050 HFKXBWDQQKBVKW-UHFFFAOYSA-N 383.473 2.938 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2O)N2CCOCC2)cc1 32721199 UUFSEFIZXAVCOX-SFHVURJKSA-N 390.867 2.858 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc(C)c1C 32893923 NNFAXTOUJYWSBJ-UHFFFAOYSA-N 379.482 2.894 0 40 GFAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCC(=O)NC(C)(C)C 32895903 ZRPPVFYWPALFRW-UHFFFAOYSA-N 398.385 2.544 0 40 GFAB CCOc1ccc(N2C[C@H](C(=O)NC3(c4noc(C)n4)CCCC3)CC2=O)cc1 32901909 ZHPMIBFHYOUYRQ-OAHLLOKOSA-N 398.463 2.715 0 40 GFAB COc1ccc(OC)c(NC(=O)CSCc2cc(=O)n3cccc(C)c3n2)c1 33026713 VNCPYYCRZZMIEU-UHFFFAOYSA-N 399.472 2.892 0 40 GFAB COc1cccc([C@@H](CNC(=O)CCc2ccc3c(c2)OCCO3)N(C)C)c1 37127573 HDVKXMAFXHYIQX-LJQANCHMSA-N 384.476 2.818 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N(C)C3CCCC3)CC2)cc1 38752599 QOGCPCCKUFWLOW-UHFFFAOYSA-N 378.538 2.938 0 40 GFAB Cc1noc(C)c1CN1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1 40108776 GQUIVVYQQUZIGM-UHFFFAOYSA-N 389.500 2.639 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1-n1cnnn1 40284510 FHKMMQSVWQRCEQ-UHFFFAOYSA-N 381.417 2.625 0 40 GFAB O=C(Cn1nc(N2CCSCC2)c2ccccc2c1=O)Nc1ccccc1F 49007232 FNRNBCCVYOLTHB-UHFFFAOYSA-N 398.463 2.728 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 55862159 NWEHVUQCSMNBDP-GOSISDBHSA-N 376.453 2.858 0 40 GFAB NC(=O)C1CCN([C@H](c2ccccc2F)c2nnnn2C2CCCCC2)CC1 57669529 ZCUKVPHNRUPRLG-GOSISDBHSA-N 386.475 2.604 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1C 58165897 WDRCMNVBSLBISO-UHFFFAOYSA-N 399.447 2.765 0 40 GFAB O=C(NO[C@@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 58420816 QVZIFOXPEJUHCR-CZUORRHYSA-N 386.370 2.628 0 40 GFAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc2c(c1)OCCCO2 64986893 OGWAJAPBNIDGPR-UHFFFAOYSA-N 388.493 2.841 0 40 GFAB CCOc1nnc(CN2CCN(CCOc3ccc4c(c3)CCC4)CC2)s1 69860523 RAVCIMJSYZCKGT-UHFFFAOYSA-N 388.537 2.622 0 40 GFAB C[C@H]1c2cccn2CCN1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 69950778 LXQDXXRHDZTTLQ-INIZCTEOSA-N 377.448 2.930 0 40 GFAB O=S(=O)(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1CCCCC1 72272309 RKXNAEMQNWBWRG-GOSISDBHSA-N 386.945 2.965 0 40 GFAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 72304017 ADMVNVYMMNJLEM-UHFFFAOYSA-N 392.824 2.635 0 40 GFAB CCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339022 VDVSVDCAVITWMQ-HKHXBQBMSA-N 386.492 2.874 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2)ccc1=O 72377200 IUISUDRISMZKGS-SFHVURJKSA-N 389.459 2.792 0 40 GFAB O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)CN2Cc3ccccc3C2)N1 84582086 VIMGORGUDSJTGO-UHFFFAOYSA-N 391.349 2.991 0 40 GFAB Cc1ccncc1C1=CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 95462496 FVQKUWQNIVBCBM-KRWDZBQOSA-N 378.476 2.894 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1N1C(=O)CCC1=O 95958854 IELNYJNZHFDPOG-OAHLLOKOSA-N 377.400 2.713 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1 96025531 XLGCQRIGMKXQRI-KRWDZBQOSA-N 387.457 2.552 0 40 GFAB CCOc1ccccc1[C@](N)(C(=O)NCCN1CCC[C@H](C)C1)C(F)(F)F 97164924 DDXAFYPESUOTGV-KSSFIOAISA-N 387.446 2.650 0 40 GFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(Cl)c3)[C@@H]4C2=O)no1 101459747 VJQRWGXSYACNSR-DEWZPKMOSA-N 385.807 2.562 0 40 GFAB CCOC(=O)c1csc([C@H](O)C[C@@H](N[S@@](=O)C(C)(C)C)C(C)C)n1 197114123 PVGZSUZLFWZUTA-BRHMAQAHSA-N 376.544 2.820 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2)s1)c1ccccc1 224670653 QLICJDRBOQHRON-UHFFFAOYSA-N 378.410 2.730 0 40 GFAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 225424172 KTVGLWBGOFPDBQ-LJQANCHMSA-N 388.489 2.753 0 40 GFAB O=C(Nc1ccccc1Cl)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225603284 AYGVQAYAGVWLRE-UHFFFAOYSA-N 387.871 2.863 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc2c1 226043147 IDRGQSPRRUBNIG-UHFFFAOYSA-N 382.391 2.903 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCSCC1)[C@@]1(C2)NC(=O)c2ccccc2N1 253595977 LPURDHRZANAVDU-ZEPOWFQYSA-N 385.533 2.940 0 40 GFAB CCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257251000 JOYRGZBPDKTFGI-UVELEOGVSA-N 396.535 2.529 0 40 GFAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cncs4)OCC[C@@]31C2 257295305 QXUFQDAZYSLHQX-HJWMZSJCSA-N 391.537 2.609 0 40 GFAB CCN1CCN(CC(=O)NC)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257319666 VTNMKSNDMVSGBC-NRFANRHFSA-N 393.531 2.731 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 260813223 RBFPMQTXPVPJOI-CABCVRRESA-N 376.478 2.727 0 40 GFAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3cccnc3)C[C@@H]21 306131473 KFRZZVZGJFVCEY-CTNGQTDRSA-N 377.469 2.899 0 40 GFAB Cc1cc2c(N3CCN(C(=O)c4cnc(C5CC5)nc4)CC3)ncnc2s1 562707025 JHLWHSVUZJOFCI-UHFFFAOYSA-N 380.477 2.630 0 40 GFAB CCc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1 565987714 GWYJBXUWXVEIEY-MRXNPFEDSA-N 386.473 2.758 0 40 GFAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnn2c(-c3cccs3)ccnc12 585085593 QQVSCNIONBTCMO-ZDUSSCGKSA-N 399.476 2.809 0 40 GFAB O=c1ccc(C2CC2)nn1CC1CCN(c2cc3c(nn2)CCSC3)CC1 585503805 FKTHLLXZKIKHBY-UHFFFAOYSA-N 383.521 2.617 0 40 GFAB COC(=O)c1ccc(C(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)cc1 618255551 SMJGTMVXSYBZGK-INIZCTEOSA-N 377.400 2.710 0 40 GFAB Cc1ccc(NC(=O)N2CCN(C(=O)C[C@H](C)CC(=O)O)CC2)cc1Cl 656233004 HYWIYEIIDSBRCA-LBPRGKRZSA-N 381.860 2.825 0 40 GFAB CCN(CCOC)C(=O)C[C@@H]1OC[C@H]2CN(Cc3cccc(F)c3F)CC[C@@H]12 1565552416 SMUPCWOFKDXTBK-LMMKCTJWSA-N 396.478 2.687 0 40 GFAB O=C(C1CC(F)(F)C1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055754619 JUTOLLBSNJXUTA-UHFFFAOYSA-N 377.435 2.737 0 40 GFAB CCOC(=O)c1c(NC(=O)CSc2nncn2C)sc2c1CC[C@H](C)C2 1065072 CXQWUWGTACWVBZ-JTQLQIEISA-N 394.522 2.909 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1 1322462 SBTSZKKXRYDOEG-UHFFFAOYSA-N 378.384 2.692 0 40 GFAB biogenic CC(=O)NCC1(c2ccccc2)CCN(C[C@@H]2COc3ccccc3O2)CC1 1640527 WSWPNPUMDWOKAR-HXUWFJFHSA-N 380.488 2.996 0 40 GFAB in-man O=C(COC(=O)c1cc(Br)ccc1Cl)NC[C@H]1CCCO1 2627442 YVIXQJAZIYIISK-SNVBAGLBSA-N 376.634 2.555 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2640053 KTNDHSIUUXOUNW-FQEVSTJZSA-N 383.835 2.696 0 40 GFAB Cc1cc2nnc(SCC(=O)N3CCC(C(=O)O)CC3)n2c2ccccc12 3279596 ORCYDTRMJFYPFV-UHFFFAOYSA-N 384.461 2.606 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)Nc1ccc2c(c1)CCC2 3363432 ZFLMVHIXXOCUCH-HSZRJFAPSA-N 389.455 2.593 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3460317 KLOIVFCCJBIFML-KSFYIVLOSA-N 379.460 2.591 0 40 GFAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(=O)n3c(nc2c1)CCC3 3531569 LPIKJYSABWNAHD-UHFFFAOYSA-N 388.383 2.750 0 40 GFAB O=C(CCNC(=O)c1ccco1)Nc1ccc(I)cc1 3560157 KVXSSAQESZSTBU-UHFFFAOYSA-N 384.173 2.643 0 40 GFAB COc1ccc(OCCCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 4243540 ZVPQLJSVSLURKP-UHFFFAOYSA-N 383.400 2.694 0 40 GFAB CCN1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(N)=O)C1 4496652 DNIZILFNJDKYLM-UHFFFAOYSA-N 375.519 2.956 0 40 GFAB CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 4778376 XKCDWTMRJOPTJI-AWEZNQCLSA-N 392.477 2.708 0 40 GFAB CCc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1 4848198 JEMRYXIJNUWEBY-UHFFFAOYSA-N 396.491 2.921 0 40 GFAB COc1cc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc(OC)c1OC 4850495 XTKRXVHNENCNPO-UHFFFAOYSA-N 382.416 2.800 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)cc1 4852042 KNHKWKFOMTYPLT-LBPRGKRZSA-N 393.399 2.532 0 40 GFAB COc1ccc(-c2noc(CNC(=O)c3cccc(OC)c3OC)n2)cc1OC 4943858 WRJJEKGZHVKWSF-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB COC(=O)COc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC 5000749 DOOIDIACUZWEKC-OVCLIPMQSA-N 385.347 2.731 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 5192986 UYABBAJIRGQLIL-INIZCTEOSA-N 396.443 2.847 0 40 GFAB O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 5278098 VNQRMKOLDDYPTA-IUBSTNSRSA-N 389.451 2.755 0 40 GFAB COC[C@@H](C)n1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O 5977705 UROBZORXQIXMOE-OAHLLOKOSA-N 389.521 2.955 0 40 GFAB CCOC(=O)c1cc(C)n(CC(=O)OCC(=O)Nc2ccc(F)cc2)c1C 6586191 POHCALQZRRYZRD-UHFFFAOYSA-N 376.384 2.603 0 40 GFAB COC(=O)c1sccc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 6720565 YJGJMCOLYXLNFE-UHFFFAOYSA-N 377.447 2.562 0 40 GFAB COc1ccc(-n2nnnc2SCc2cc(=O)oc3cc(O)ccc23)cc1 6945933 KNTAGEWMTCJNLZ-UHFFFAOYSA-N 382.401 2.775 0 40 GFAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)cc1 7087556 BILAOSDZGZOUQT-IBGZPJMESA-N 396.443 2.678 0 40 GFAB Cc1ccc2c(c1)CCCN2CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 7214447 YDDPBTGMXMTXBP-FQEVSTJZSA-N 398.528 2.968 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc2n1CCCCC2 7280574 KWMHDDOIQVBAPG-UHFFFAOYSA-N 388.493 2.874 0 40 GFAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCCc1c[nH]c2ccccc12 7466707 CYMYEYUNSUXYKB-UHFFFAOYSA-N 380.835 2.890 0 40 GFAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccccc2I)C1 7786229 HAHAEEFZQBPWAT-LLVKDONJSA-N 387.217 2.707 0 40 GFAB CN(Cc1ccc(Br)s1)C(=O)CNC(=O)COc1ccccc1 7980598 QMNLUQWGEDGYSN-UHFFFAOYSA-N 397.294 2.664 0 40 GFAB CCNc1nc2cc3c(cc2nc1NS(=O)(=O)c1ccccc1)OCCO3 8147862 OJLGGRSODMXXGN-UHFFFAOYSA-N 386.433 2.634 0 40 GFAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2C)no1 8170298 DRMPRYYTHPOODD-UHFFFAOYSA-N 395.257 2.563 0 40 GFAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 8416613 AFKCCHAXFXITSQ-HNNXBMFYSA-N 384.432 2.835 0 40 GFAB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 8477337 WNWZZFJZQSFUJB-KPKJPENVSA-N 378.812 2.762 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2OC)cc(C(=O)OC)c1 8494981 JPTNCXCFCAABJE-LBPRGKRZSA-N 387.388 2.674 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)c2ccccc2n1 8863706 FEJDDTHKQAWNHZ-SFHVURJKSA-N 382.489 2.962 0 40 GFAB COc1cccc(CNC(=O)CC[C@@H]2NC(=O)N([C@@H](C)c3ccccc3)C2=O)c1 9477037 FIAKDOISBQCRFA-KXBFYZLASA-N 395.459 2.773 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)nc1 10774663 JWFLWZFGXBGJGB-UHFFFAOYSA-N 385.898 2.511 0 40 GFAB Cc1ccc(C)c(OCCC(=O)NCc2cccc(NS(C)(=O)=O)c2)c1 11360084 IKXGMYUGVMFLLK-UHFFFAOYSA-N 376.478 2.760 0 40 GFAB CCn1c(N2CCC(C(=O)NCCCn3ccnc3)CC2)nc2ccccc21 12116389 NDJQBVQCKAUODK-UHFFFAOYSA-N 380.496 2.676 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)O)c1)O[C@H](C)C2 12560481 XDARTJXAFYMZHL-LLVKDONJSA-N 377.418 2.908 0 40 GFAB CC(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)CC1 12824051 DVKJPXQWVHSKLM-UHFFFAOYSA-N 384.455 2.585 0 40 GFAB Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(C(=O)O)cc2)n1 13655363 GNUQSESYDKKBOG-OAHLLOKOSA-N 377.404 2.760 0 40 GFAB COc1ccc(CCNC(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)cc1 13806883 FDBCKMKHCAFNNY-UHFFFAOYSA-N 377.444 2.586 0 40 GFAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 14167783 ZRLPILGALOPYPL-CYBMUJFWSA-N 379.416 2.770 0 40 GFAB COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)CC1 16588700 UHHZQFBXACPHAZ-MRXNPFEDSA-N 387.505 2.845 0 40 GFAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(OC)cc3OC)N2C1=O 16734990 UJWWRNFCTBSFNU-GDBMZVCRSA-N 390.461 2.916 0 40 GFAB COc1cccc(-c2cc(C(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)[nH]n2)c1 19125872 YOCCLIBWLLNYNX-UHFFFAOYSA-N 391.431 2.836 0 40 GFAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)Cn2nc(C)ccc2=O)cc1 19131128 ROEPNTZFIYXENM-UDKICSLYSA-N 381.476 2.649 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nc(C4CCNCC4)ncc3C1)CCCC2 19581304 ATWQRJREOZSSTN-UHFFFAOYSA-N 380.492 2.922 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 19654524 JGJNGTGAODDZHX-MRXNPFEDSA-N 380.496 2.806 0 40 GFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)CC1CCCC1)C2 19708868 JOPTVBWWAJLIAU-QGZVFWFLSA-N 399.539 2.709 0 40 GFAB CN(C)Cc1cc([C@H]2CCCCN2C(=O)COc2cccc(N(C)C)c2)nn1C 19709179 TXOFFPTYHJLFOJ-OAQYLSRUSA-N 399.539 2.680 0 40 GFAB O=C(CCc1ccccc1)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819770 CJQCIDSITNUSTB-LJQANCHMSA-N 382.460 2.538 0 40 GFAB CCc1ccccc1N(CC(=O)Nc1ccc(OC)c(OC)c1)S(C)(=O)=O 20236840 CDDICZXGGZCDBZ-UHFFFAOYSA-N 392.477 2.671 0 40 GFAB CC[C@@H](C)n1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c1=O 20622526 BHINFACLPNBGMR-ABKXIKBNSA-N 388.855 2.583 0 40 GFAB biogenic O=C(NCCc1ccc(Br)s1)c1ccc(N2CCOCC2)nc1 22226362 BRZJWCSPXUSYMX-UHFFFAOYSA-N 396.310 2.715 0 40 GFAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)C[C@@H](C)O1 22299936 BZWJLWAPTWCDTN-TXEJJXNPSA-N 375.450 2.733 0 40 GFAB CC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCN(C2CCCCC2)CC1 22457875 UUBDNYFPVBOGJK-LJQANCHMSA-N 383.544 2.863 0 40 GFAB CCN1CCN([C@H](c2ccc(F)c(F)c2)c2sc3nc(C)nn3c2O)CC1 22468498 OAOYPWQEJWPNTP-OAHLLOKOSA-N 393.463 2.810 0 40 GFAB Cc1ccc(-n2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2)cc1C 23127109 LRCGNDQIEXDUPS-UHFFFAOYSA-N 375.476 2.842 0 40 GFAB CCc1noc(C)c1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 23268433 DQODWYDIYQUIOP-AWEZNQCLSA-N 396.447 2.603 0 40 GFAB COc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)o2)cc1 23873113 NXHLKUQNSBUJPV-FQEVSTJZSA-N 378.388 2.712 0 40 GFAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(=O)n(Cc2ccccc2)n1 26065072 FKMUCQDCYPUZAB-UHFFFAOYSA-N 392.440 2.938 0 40 GFAB CCn1ncc(Br)c1C(=O)N1CCN(c2ccccc2F)CC1 28223842 LPBZYBZZFNJQBX-UHFFFAOYSA-N 381.249 2.767 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)NCCCc2nc3ccccc3[nH]2)cc1F 29725629 NQCVTFAXROHCCJ-UHFFFAOYSA-N 397.454 2.672 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 30017864 SRYUEBXIOZTBDK-IYBDPMFKSA-N 396.491 2.626 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(F)cc3cccnc23)c1 31611677 QLGJZHPMHPGNLL-UHFFFAOYSA-N 389.452 2.614 0 40 GFAB Cc1nc(CN2CCN(CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)cs1 32761109 RJYLUUQICNORRF-UHFFFAOYSA-N 399.564 2.808 0 40 GFAB CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)c1=O 35681851 QMJGMBLDICMYDI-UHFFFAOYSA-N 384.457 2.550 0 40 GFAB CC(C)CN1[C@H](Cc2ccc3c(c2)OCO3)[C@H](O)c2ccccc2S1(=O)=O 36351255 QNCNOGSTSPIXOJ-OXQOHEQNSA-N 389.473 2.720 0 40 GFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCc1ccccc1N1CCCC1 36614761 DENDXFNFMAHPGQ-UHFFFAOYSA-N 384.452 2.974 0 40 GFAB CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 39985526 JUMPFSJBNUPOSN-UHFFFAOYSA-N 390.505 2.673 0 40 GFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1c3c(nn1-c1ccccc1)CCC3)CS2 40023510 VOGZNZCDEWKBPR-UZLBHIALSA-N 382.489 2.754 0 40 GFAB CCN(CC)[C@@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 40105299 VERJFEHUQVQMAK-FQEVSTJZSA-N 381.524 2.892 0 40 GFAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C1 42379152 AURZWLDIKJKQAL-CVEARBPZSA-N 380.558 2.641 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 44450958 JYIYVNPRGSDZTP-RTIZMKJZSA-N 388.445 2.551 0 40 GFAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)c(F)c(F)c3)n2)c1 44902667 RDXCZVGTMWBAJL-UHFFFAOYSA-N 389.333 2.975 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1C(=O)N1CCCC1 48355100 DFRLHLJRFCKNPB-UHFFFAOYSA-N 386.473 2.967 0 40 GFAB O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H](C(=O)N2CCOCC2)C1 56322414 MZZJJCGFMPXAOZ-CYBMUJFWSA-N 375.856 2.532 0 40 GFAB Cc1ccc([C@H](CNC(=O)CCn2cnc3ccccc3c2=O)N(C)C)cc1 58246417 QPRNZPRDIVCZAC-FQEVSTJZSA-N 378.476 2.514 0 40 GFAB Cc1c(Cl)cccc1NC(=O)Cn1nc2c3cc(F)ccc3ncn2c1=O 62006716 WPUKECMJVWOMHQ-UHFFFAOYSA-N 385.786 2.784 0 40 GFAB Cc1ccc(OCC(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)c1 68486199 BAASVQDFBNPFHG-HNNXBMFYSA-N 376.478 2.549 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC[C@@H](C)C2)nc1N 71771941 GKXKSOFVSFRFNG-LLVKDONJSA-N 396.900 2.790 0 40 GFAB COc1cccc2cc(C(=O)NC[C@](O)(c3cccs3)C3CC3)c(=O)oc12 77099492 OQHBTEYXVBLKHS-HXUWFJFHSA-N 385.441 2.891 0 40 GFAB 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)COc1ccccc1 77953767 FAPQZCFUFGJPFI-KCJPNXKHSA-N 390.476 2.542 0 40 GFAB CC(C)n1c(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)nc2ccccc21 79501422 TZGGOQDWUKOPKT-INIZCTEOSA-N 378.480 2.940 0 40 GFAB C[C@@](O)(CNC(=O)[C@H]1CCCN1c1ncnc2ccccc12)c1ccsc1 89900604 DPQLIQOCDWRHAQ-YLJYHZDGSA-N 382.489 2.684 0 40 GFAB O=C(NCCCCN1CCC[C@@H]1CO)c1ccccc1NCc1cccnc1 95448249 ZDLHWULRGDDJCX-LJQANCHMSA-N 382.508 2.660 0 40 GFAB CCOc1cc(-c2nc([C@@H](N)c3ccc(OC)c(OC)c3)n[nH]2)ccc1OC 95533915 ANNDFPCUYCHAGA-SFHVURJKSA-N 384.436 2.944 0 40 GFAB CCS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1F 95944124 BNRBEXLQBSSBOU-UHFFFAOYSA-N 375.418 2.868 0 40 GFAB CNC(=O)[C@H]1CCCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C1 95957450 ZHKKFSHEOKPUTA-HNNXBMFYSA-N 387.505 2.558 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 96225415 KZMSXCZMHPTIID-QGZVFWFLSA-N 399.900 2.629 0 40 GFAB COCCO[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1Cc1ccccc1 96261299 FCPGVLYBVWAAGA-VQTJNVASSA-N 393.480 2.863 0 40 GFAB COc1cc2[nH]c(O)c(C(=O)NCc3ccccc3Cl)c(=O)c2cc1OC 97466286 FRKSAILPUSNUFX-UHFFFAOYSA-N 388.807 2.834 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)N(C)C)c1 224186588 QNYSMOWXWACRJM-UHFFFAOYSA-N 379.526 2.533 0 40 GFAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(O[C@H]3CCSC3)nc2)c1 225715336 CMIPMNNFPUDRHG-HNNXBMFYSA-N 393.490 2.590 0 40 GFAB Cc1csc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1 225742338 PZHWIXOQASLFRN-UHFFFAOYSA-N 381.505 2.940 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1ccco1 245070483 QLQRZCHFNUHZSZ-QGZVFWFLSA-N 397.449 2.703 0 40 GFAB O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccc(Cl)c3)nn12 254813418 LKHWSIMDBOYVJR-UHFFFAOYSA-N 384.804 2.927 0 40 GFAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CCN(c2ccccc2)CC1 256048188 RGCLMAZBILFHAU-UHFFFAOYSA-N 383.839 2.946 0 40 GFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1)c1cnccn1 257284999 PFFGALZPYVZPNR-FUDKSRODSA-N 394.519 2.544 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408595099 TVLGOJIUFRRMPG-LSDHHAIUSA-N 382.526 2.980 0 40 GFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408609429 SXNSXNKYARSPCQ-CYBMUJFWSA-N 380.441 2.918 0 40 GFAB COc1cc2nc(NN)n(-c3ccc(Cl)cc3Cl)c(=O)c2cc1OC 408712664 GAHDFKURSGIUQO-UHFFFAOYSA-N 381.219 2.995 0 40 GFAB Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2cc(CN(C)C)ccn2)CC3)c1 569544499 XLACKARHRFTSOQ-GOSISDBHSA-N 390.491 2.911 0 40 GFAB O=C(NCC(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1cc2c(s1)CCC2 585080136 SAESTXWXLWAIJO-QFIPXVFZSA-N 398.528 2.519 0 40 GFAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2 585107547 ZMRLFSIZDQGYKO-NRFANRHFSA-N 378.432 2.673 0 40 GFAB CCCSCC(=O)NCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 585138464 SSXQESSLUNMKMP-UHFFFAOYSA-N 397.545 2.679 0 40 GFAB O[C@@]1(CNCc2ccc(OCc3ccccn3)cc2)CCN(c2ccccn2)C1 585271286 VZEQIWCXORUYJT-HSZRJFAPSA-N 390.487 2.787 0 40 GFAB NC(=O)CN1CCCC[C@H]2CN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)CC[C@H]21 585282525 FQPVIHBPPPRQGQ-ZPFZUWPUSA-N 399.579 2.737 0 40 GFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cn[nH]c1 604405209 MZXWIVIVQZAMIF-LJQANCHMSA-N 387.399 2.553 0 40 GFAB biogenic CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Cc1cccc2cnccc12 628028732 BOOLESZDKVBHDJ-XMSQKQJNSA-N 391.475 2.691 0 40 GFAB CCn1cc(CN2CC[C@H]3[C@H](CC(=O)N(C)Cc4ccccc4)OC[C@H]3C2)cn1 1565550611 FMNFHMJBXGNIGM-VSKRKVRLSA-N 396.535 2.789 0 40 GFAB CC1CC(C(=O)N2CCO[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)C1 1614947248 ULKIZAZOCPWWJU-IUPXNIOVSA-N 377.448 2.737 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)nc1 1615158464 MXDKVBIELQMXRR-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB O=C(O)c1ccc(NC(=O)c2ccccn2)c(NC(=O)c2ccccc2O)c1 1857794747 PHMMNCJHSWJDAW-UHFFFAOYSA-N 377.356 2.990 0 40 GFAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4ccc(F)cc34)CC2)n1 1888903915 XDUBKJCRDSFBMZ-UHFFFAOYSA-N 376.342 2.529 0 40 GFAB CC(C)n1ccc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)n1 2037985645 QZGAJRMCZIYHPT-QFIPXVFZSA-N 396.491 2.892 0 40 GFAB COC(=O)c1ccc(Oc2c(C)oc3cc(OCC(N)=O)ccc3c2=O)cc1 2407958 XECCRYCVKKSVHZ-UHFFFAOYSA-N 383.356 2.544 0 40 GFAB Cc1nn(CCCNC(=O)c2noc3c2CCCC3)c(C)c1Br 2809778 MLWIKDOYDXWDSF-UHFFFAOYSA-N 381.274 2.949 0 40 GFAB COC(=O)[C@@H](C)Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3447760 ARCVCFQGCKTINQ-GFCCVEGCSA-N 380.429 2.687 0 40 GFAB Cc1ccc2c(COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc(=O)oc2c1C 3458162 MJRJAURTSRAMPJ-YWZLYKJASA-N 387.457 2.907 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2C)C1=O 4514334 ZZXDMFSOPVKLNJ-QFIPXVFZSA-N 397.450 2.950 0 40 GFAB Cc1ccc(CNC(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 4677160 HUEHTDLPYSDRED-UHFFFAOYSA-N 389.883 2.987 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC 4870526 WKURPAJXQMWCFF-GZBFAFLISA-N 379.453 2.810 0 40 GFAB COC(=O)[C@H](C)NC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C 5207061 GGNVDOIHCYGBBK-LBPRGKRZSA-N 380.404 2.582 0 40 GFAB CC(C)C[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 5235474 BECHYHJRWRRZLV-QGZVFWFLSA-N 387.432 2.666 0 40 GFAB biogenic COc1cc(C2=C3C(=O)OC[C@H]3Cc3ccc4c(c32)OCO4)cc(OC)c1OC 5639569 IZWYDCDBSGRCKM-CYBMUJFWSA-N 396.395 2.972 0 40 GFAB COc1ccc(OC)c(C[C@H](C(=O)Nc2ccc(C)cc2C)c2nn[nH]n2)c1 5681722 QFJWGEGBVMJBEE-INIZCTEOSA-N 381.436 2.799 0 40 GFAB CCn1c(COC(=O)C2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 6608710 RCIAPADRSIBVKP-UHFFFAOYSA-N 379.482 2.540 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cnn(-c2ccccc2)n1 6879535 RHRZUZMCICRKJA-UHFFFAOYSA-N 399.838 2.640 0 40 GFAB CNS(=O)(=O)c1cc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)ccc1C 8127749 SPHVUQIUVFAJTC-UHFFFAOYSA-N 398.916 2.970 0 40 GFAB Cn1c(=O)c2ccccc2n2c(COc3c(F)c(F)cc(F)c3F)nnc12 8747174 DREPHVQHIWVZOI-UHFFFAOYSA-N 378.285 2.717 0 40 GFAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCCSCc1ccc(Cl)cc1 8775153 RSKCEUZZFSVNLI-UHFFFAOYSA-N 398.941 2.701 0 40 GFAB CN(Cc1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8780529 ABXFSBLKIOLSRS-UHFFFAOYSA-N 393.939 2.845 0 40 GFAB CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 8852755 WXFMGNURFMNPPU-NRFANRHFSA-N 397.500 2.834 0 40 GFAB COCCCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 10742141 YNMYLOYYWWLJNG-UHFFFAOYSA-N 399.900 2.588 0 40 GFAB Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 11003949 ASFPUYABZKYDCI-UHFFFAOYSA-N 390.480 2.979 0 40 GFAB COC(=O)c1cc(O[C@H](C)C(=O)N2CCc3ccccc32)cc(C(=O)OC)c1 11203852 ODXSSMPRWIOYGU-CYBMUJFWSA-N 383.400 2.616 0 40 GFAB COc1cc(NC(=O)[C@H](C)NC(=O)c2cccs2)ccc1N1CCCC1=O 11447344 ZQWIVGPXPJPTLP-LBPRGKRZSA-N 387.461 2.641 0 40 GFAB C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)NC1CCCCCC1 11940488 ZNIHDXNCVJNQKA-YOEHRIQHSA-N 375.469 2.557 0 40 GFAB O=C(c1cc(F)cc(F)c1)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084955 BUTGLDTZDNVBCM-CQSZACIVSA-N 375.404 2.985 0 40 GFAB Cc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1C 12184571 SZZLBALWNPKHHG-CALCHBBNSA-N 382.508 2.559 0 40 GFAB Cc1cc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)oc1C 12223031 FDXVVRVEACCBFQ-LJQANCHMSA-N 375.494 2.839 0 40 GFAB COc1ccc(NC(=O)CSCC(=O)NCCc2nc3ccccc3[nH]2)cc1 12520645 GIQJPTMKFXUAPH-UHFFFAOYSA-N 398.488 2.602 0 40 GFAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCNC(=O)C2)cc1 13009242 HLOMIZQHUVDLGX-UHFFFAOYSA-N 395.434 2.874 0 40 GFAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715138 IDXQVCWPXXUMNK-SFHVURJKSA-N 378.469 2.729 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccccc1OC 14865419 QNHKYMVXBCBKOP-UHFFFAOYSA-N 378.375 2.839 0 40 GFAB COc1ccccc1CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 17845846 BIASHMWJAWFHHT-UHFFFAOYSA-N 381.407 2.661 0 40 GFAB COc1cccc(CN2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)c1 19016878 MLOIIKBBPATVPM-UHFFFAOYSA-N 380.492 2.769 0 40 GFAB Cc1cc(C)cc(C2(CNC(=O)c3cc4c([nH]c3=O)CCC4)CCOCC2)c1 19569584 WDPPHULQZLKNJQ-UHFFFAOYSA-N 380.488 2.959 0 40 GFAB COCC(=O)N1CC[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 19579987 GHRNWBTWFNIIPD-QHCPKHFHSA-N 380.488 2.849 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1 20451046 RYKKAGOSDVLBRX-UHFFFAOYSA-N 376.453 2.864 0 40 GFAB COC(=O)c1sccc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1 22192788 OGXDEKCZUGEITO-UHFFFAOYSA-N 394.371 2.884 0 40 GFAB O=C(Cc1cccs1)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22227150 HINXTASBHBRXAE-UHFFFAOYSA-N 392.546 2.824 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1nc(-c2cccs2)no1 22256767 PGZYQENWDOLHJL-UHFFFAOYSA-N 385.854 2.939 0 40 GFAB C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccs2)C[C@@H](C)O1 23078010 VVNGEJPYZFRLCB-CHWSQXEVSA-N 380.491 2.798 0 40 GFAB O=C(OCc1nnsc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 24065994 QVSYASUMVQPHKI-UHFFFAOYSA-N 383.832 2.926 0 40 GFAB CCNC(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 24833515 JUXKLGKUTLJOIN-GFCCVEGCSA-N 386.452 2.994 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1F 24980053 ZBGCRUKZQGRLOH-INIZCTEOSA-N 397.450 2.962 0 40 GFAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cnn1-c1ccccc1 26062683 WKUMQNSPYXTXEB-UHFFFAOYSA-N 396.472 2.874 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N[C@@H](C)c2ccccc2)cc1 28209430 JVXZZUXIHIZLCJ-MAUKXSAKSA-N 386.473 2.552 0 40 GFAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccccn3)cs2)C1=O 28641628 SJNZEROCAIYULO-GFCCVEGCSA-N 380.429 2.958 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N1CCCc3ccccc31)O2 30946838 SDVHYAPVEGDPGI-IBGZPJMESA-N 386.473 2.501 0 40 GFAB COC(=O)[C@H](CCSC)NC(=O)N1CCSC[C@H]1c1ccc(OC)cc1 32091316 FMKCVYZOOANGSI-HOTGVXAUSA-N 398.550 2.789 0 40 GFAB CC[C@@H](OC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)OC 32855759 PHGCWYOAJMIKMW-MRXNPFEDSA-N 377.418 2.596 0 40 GFAB Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(-n2ccnc2)n1 36705817 VRHYFDXHEAUCNM-UHFFFAOYSA-N 397.870 2.978 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2cc(-c3ccccc3)ncn2)CC1 36709710 XTZXEQJZPNYTMD-UHFFFAOYSA-N 386.477 2.536 0 40 GFAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc(F)c(F)cc1Cl 40080647 HXHZNSRPXXZXNG-UHFFFAOYSA-N 379.750 2.922 0 40 GFAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccc(C(N)=O)cc2)C1 48311946 LDYNOQGAHYTUGE-QGZVFWFLSA-N 395.503 2.713 0 40 GFAB COC(=O)CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 49543295 VBWHXZIFKDKBQT-UHFFFAOYSA-N 385.416 2.995 0 40 GFAB biogenic C[C@@H](C(=O)NC1CCCC1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 58180504 NRQSXTPFVBOPSU-HNNXBMFYSA-N 377.916 2.935 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1Cc1noc(-c2ccc(Cl)cc2)n1 58209666 JPRTXXXRDDAMGI-UHFFFAOYSA-N 375.793 2.735 0 40 GFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3cccn3)CC2)cc1 62017656 QXHQQRSIGJPTDV-UHFFFAOYSA-N 389.521 2.547 0 40 GFAB Cn1cc(C(=O)C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cn1 65595368 NJIIKQIWQLSXRY-UHFFFAOYSA-N 388.221 2.942 0 40 GFAB Cn1c([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 68002248 AEPAMHJFLMYBOU-KRWDZBQOSA-N 376.416 2.882 0 40 GFAB CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)CC1 71415933 AVDFJRUPMPYMCA-UHFFFAOYSA-N 376.322 2.660 0 40 GFAB COc1cccc(-c2cncc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)c1 72359389 DWCPWWBYZPUUOW-GOSISDBHSA-N 380.492 2.954 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Oc2ccccc2O[C@@H]1C 95469844 JNLMUWDUSQXGSH-YJYMSZOUSA-N 379.416 2.500 0 40 GFAB COc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 95533709 BOHSBBGHPHMBEC-CQSZACIVSA-N 375.226 2.997 0 40 GFAB CN(C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 95959635 RYHUPHFWRMESRV-INIZCTEOSA-N 387.505 2.511 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@H](O)c2ccc(F)cc2)sc1Br 95972862 PXRNSBHNUQTPET-NSHDSACASA-N 394.287 2.970 0 40 GFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCCCc3nc4ccccc4[nH]3)C2)n1 96232819 GKIDFGTZYQNMDB-QGZVFWFLSA-N 392.507 2.935 0 40 GFAB COc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccs3)C2)c1 97105869 KXHWJKPWEZZPKW-GOSISDBHSA-N 385.489 2.767 0 40 GFAB CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100642561 GOUMLHLYFWBNID-YRBFXIGRSA-N 392.249 2.687 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100790125 PBEOQKTUWUYVGP-KQHSUYLTSA-N 381.407 2.714 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]32)c1 101260807 WDQZGRMUVKQWMB-ZWKOTPCHSA-N 380.404 2.818 0 40 GFAB CCCn1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc2ccccc21 102434626 NYMNMEJWXFMDIK-HUUCEWRRSA-N 382.464 2.950 0 40 GFAB CN(C)CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 102731503 HSEJSRXBSSIAQB-NRFANRHFSA-N 379.504 2.963 0 40 GFAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 104371425 QNVRQUZXNLRIRX-FHHIAAGZSA-N 378.428 2.685 0 40 GFAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)on2)CC1=O 138915386 LVYOWABOCOKVTQ-INIZCTEOSA-N 399.447 2.643 0 40 GFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)NCc1cccs1 206804090 NZAGAIULQBJGSC-IUODEOHRSA-N 378.425 2.792 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220089499 QGKBZRUISJKAAF-AWEZNQCLSA-N 396.459 2.868 0 40 GFAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 220130310 AEGGCUHPENBDCZ-CQSZACIVSA-N 390.461 2.559 0 40 GFAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1C 223912489 XMGKAUNNGNYRKX-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1 224111164 RSHLEEJYJLLBLF-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)cc1 224852021 NPVGAPGDARDCPA-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(SC)s2)ccc1Cl 225069426 OCFXQXHFSRYNNH-UHFFFAOYSA-N 379.872 2.501 0 40 GFAB Cc1nc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)sc1C(=O)N(C)C 225722407 OXVFYLZFSGZYPO-GFCCVEGCSA-N 392.506 2.685 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2F)c1 225927802 DNCRWKWCJBCKFC-UHFFFAOYSA-N 378.469 2.722 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2cc(C)ccc2C)NS(C)(=O)=O)cc1 225955304 FGPJIEYPRQKODR-SFHVURJKSA-N 376.478 2.931 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 243147736 JMPUJARLRRUUAX-UHFFFAOYSA-N 389.477 2.667 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1 244998678 KPFZCIFMIHUTTH-SFHVURJKSA-N 375.494 2.878 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@H]3[C@H]1[C@@H]3C(=O)NCCN1CCCCC1)O2 248338219 RCBWNGNACAEJIX-VTUOOYILSA-N 382.504 2.957 0 40 GFAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CN3CCCCC3)CCO2)n1 257200197 ACJGSFXDRBJHDY-FQEVSTJZSA-N 398.507 2.993 0 40 GFAB CCn1cc(-c2cc(C(=O)N3C[C@H]4CC[C@H](Oc5cccnc5)[C@H]4C3)on2)cn1 257268379 MLKWQKMQYNCIQY-LJHODMEESA-N 393.447 2.883 0 40 GFAB Cc1noc(C)c1-c1cnc(C2CCN(S(=O)(=O)c3cccnc3)CC2)cn1 257287672 PRAOZHYSQRGGSE-UHFFFAOYSA-N 399.476 2.712 0 40 GFAB CC(C)Cc1ccccc1CNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 529071742 WBZAPTNENMHKQJ-KRWDZBQOSA-N 390.509 2.763 0 40 GFAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575405590 SJOQUOQIYHYUCD-PKOBYXMFSA-N 382.485 2.688 0 40 GFAB CC(C)Sc1ccc(CC(=O)N[C@@H]2CCN(c3nccn4cnnc34)C2)cc1 575617943 XYSUEQKNAVVYLV-MRXNPFEDSA-N 396.520 2.562 0 40 GFAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@@H](N)C(C)C)CC2)n1 585263598 RMRGJDZGBGYAEQ-INIZCTEOSA-N 388.541 2.983 0 40 GFAB Cc1csc(Nc2cc(C3CN(C(=O)/C=C/c4cnn(C)c4)C3)nc(C)n2)n1 585291444 PGQAKKOAMHTEDD-SNAWJCMRSA-N 395.492 2.666 0 40 GFAB Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298117635 JQQUZWSSCXSLOT-MRXNPFEDSA-N 379.451 2.903 0 40 GFAB Cc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 832279 UDVWMOIAENPHGN-UHFFFAOYSA-N 395.864 2.889 0 40 GFAB C[C@H]1CN(CCCNCc2cc(Br)c3c(c2)OCO3)C[C@H](C)O1 84706261 KNXFKNMYFLEONC-STQMWFEESA-N 385.302 2.767 0 40 GFAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)NCCCc2ccccc2)cc1 4895048 GJUNFBCIOMLXTM-MHZLTWQESA-N 386.517 2.685 0 40 GFAB aggregator CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)c(C)s1 6680081 RNEYWFYOJVXKQI-UHFFFAOYSA-N 384.479 2.624 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3CC)c(=O)c2c1C 6916103 OTJOBQRKPBJWLJ-ZDUSSCGKSA-N 391.493 2.734 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)NCc1cccc2ccccc12 100466512 PLYFRCIGULBKGZ-ATUYINLCSA-N 386.451 2.509 0 40 GFAB COc1ccc(N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OCC(N)=O 56160747 BPQFAWIUTHKTOQ-LLVKDONJSA-N 377.828 2.652 0 40 GFAB CCN(CC)C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473019 OQFIWDFSWOFPAL-UHFFFAOYSA-N 399.878 2.733 0 40 GFAB CCN1CCC(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 27437990 UTTSYZMJYOXQHO-UHFFFAOYSA-N 379.917 2.818 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 58423337 ZCOVPWOEFOUWNK-ZDUSSCGKSA-N 399.756 2.733 0 40 GFAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(F)cc1 113892891 PQEQOOTZDWDFPY-UHFFFAOYSA-N 397.424 2.601 0 40 GFAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 84549373 POBFUTVDSJCTFF-IEBWSBKVSA-N 383.423 2.714 0 40 GFAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCCN1CCOCC1 36686173 KOJSLKDOQURVKK-UHFFFAOYSA-N 377.872 2.766 0 40 GFAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC)cc1 2502040 PWWQGVQNLKYHOE-KRWDZBQOSA-N 390.461 2.535 0 40 GFAB O=C(/N=c1\sccn1Cc1ccccc1F)[C@H]1CCCN(c2cnccn2)C1 29787167 HRJKBWVBTQLUQE-GFDWPABASA-N 397.479 2.871 0 40 GFAB CCn1nc(C(=O)OCC(=O)N2CCCc3ccccc32)c2ccccc2c1=O 2663652 ZSBVOBYBHWHGCP-UHFFFAOYSA-N 391.427 2.553 0 40 GFAB Cn1nc(C(=O)NCc2ccc(F)cc2)cc1C(=O)NCc1ccc(F)cc1 2798401 HIUFCXOPLOJYOX-UHFFFAOYSA-N 384.386 2.558 0 40 GFAB CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 95429812 ORFKUBFYPLKMKF-NNNHXZLVSA-N 391.320 2.935 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNCc1ccccc1OC(F)(F)F 48040357 DNZKRGJKLHUNRW-UHFFFAOYSA-N 388.411 2.924 0 40 GFAB C/C=C/c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc(OC)c1OC 12751455 SYVHKYLLTWNGRE-WEBJUUICSA-N 380.444 2.789 0 40 GFAB C[C@@H](Oc1ccc(F)cc1F)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 12899963 XVZIWLMUMNUAMA-SNVBAGLBSA-N 378.331 2.852 0 40 GFAB COc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1OC 9169699 HJMSSACXYMJPIH-CQSZACIVSA-N 377.400 2.928 0 40 GFAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2OC)cc1 3516152 RHPFBDKJMMPHBE-GFCCVEGCSA-N 385.449 2.799 0 40 GFAB CSc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)c1 12995146 HTQVQEMUXYFMNF-HXUWFJFHSA-N 381.457 2.956 0 40 GFAB biogenic Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cc1ncc(Cl)n1C 12928015 WSHUZMBDFQMQGY-IBGZPJMESA-N 398.898 2.549 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 12932884 MEFSOWGTCCWCSB-OAGGEKHMSA-N 399.491 2.719 0 40 GFAB O=C(NCc1ccc(N2CCCC2)nc1)C1CCN(C(=O)c2cccs2)CC1 12949500 HOGQXKLMIPGFQD-UHFFFAOYSA-N 398.532 2.912 0 40 GFAB CCCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12 19618961 XZEJRISYISAUAO-UHFFFAOYSA-N 392.521 2.629 0 40 GFAB COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c2c1 9221124 SXAKHPRAJAJULI-ZDUSSCGKSA-N 386.477 2.539 0 40 GFAB COCCCNC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1 4050791 RMEDNHIIEAJUIE-UHFFFAOYSA-N 378.432 2.737 0 40 GFAB CCOC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 6098533 YDUBRQIVQISEBT-UHFFFAOYSA-N 380.429 2.689 0 40 GFAB S=C(NCCCN1CCOCC1)N1CCC(c2nc3ccccc3o2)CC1 13723542 VQMVEEVMBTUGJZ-UHFFFAOYSA-N 388.537 2.604 0 40 GFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13810597 HDDYFYOSCINLFN-TXEJJXNPSA-N 377.416 2.531 0 40 GFAB COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC(C)(C)C3=O)c2C)cc1 4309202 DIOKHEYBRSAUDA-UHFFFAOYSA-N 397.475 2.869 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2cc3c(s2)CCC3)c1C 4462481 HGNWZZWKULDACJ-UHFFFAOYSA-N 386.473 2.765 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4472918 VDKOGNUUZLMWFL-DACLVMHWSA-N 381.428 2.770 0 40 GFAB COc1ccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1OC 5345724 NAYKCXDXVSGURC-UHFFFAOYSA-N 391.427 2.712 0 40 GFAB COc1ccc(Br)cc1CN1C(=O)C(=O)N(C2CCCC2)C1=O 14240903 NZVJMAKKMMYUHB-UHFFFAOYSA-N 381.226 2.691 0 40 GFAB C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 5539910 WXRFDRSQRIQAAP-LBPRGKRZSA-N 386.370 2.978 0 40 GFAB COc1cc(NC(=O)[C@H](C(C)C)n2nnc3ccccc3c2=O)cc(OC)c1 6658744 HKGATCHOHCICAI-SFHVURJKSA-N 382.420 2.645 0 40 GFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 113957065 UQBTVIIZABKZHN-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB CCOc1ccc(N(CC(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 5953622 VJLNKFRMRPDNQC-UHFFFAOYSA-N 394.518 2.749 0 40 GFAB COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(O)c1 7396472 SBDCNFTVYZSBSS-UHFFFAOYSA-N 381.287 2.518 0 40 GFAB Cc1c(C(=O)N(C)CCOc2ccccc2F)sc2ncn(C)c(=O)c12 16112903 UMFONRUBMGBLHM-UHFFFAOYSA-N 375.425 2.594 0 40 GFAB Cc1ccc(C(=O)NCCc2nnc3ccccn23)cc1NC(=O)c1ccco1 16491319 ODNOGTVSHBFTDF-UHFFFAOYSA-N 389.415 2.856 0 40 GFAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)N1CCCC1 8394232 LHOCIAUMJKCRLX-UHFFFAOYSA-N 385.537 2.968 0 40 GFAB Cc1cc(C)cc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 408733798 RHWPASTVJXMRNH-ROUUACIJSA-N 399.450 2.780 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(F)cc1 408627054 XRXCCEVTFONRPI-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1csc(COc2ccc(F)cc2)n1 69982071 PWDSZTCZHWTSJW-KRWDZBQOSA-N 393.465 2.789 0 40 GFAB Nc1c(C(=O)NCc2cccs2)nnn1-c1cccc(Br)c1 8991988 QMMXJSQFUURPAU-UHFFFAOYSA-N 378.255 2.604 0 40 GFAB CN(C)C(=O)C1(CNC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)CCCC1 95993208 FYMNGYGVCMFUEP-SFHVURJKSA-N 394.519 2.877 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1C 408624315 SFCNOZRHRPYUDV-UHFFFAOYSA-N 378.450 2.563 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 408554971 FHMCQRVYTVYJTL-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1C 408625668 TXNQTZQCBZJSDX-CQSZACIVSA-N 392.477 2.708 0 40 GFAB Fc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2cccnc2)cc1 35311078 GLOICPMVDWPLAD-UHFFFAOYSA-N 385.468 2.893 0 40 GFAB CN1CCN(c2ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn2)CC1 72216562 KLFNNVRLNAUHGR-UHFFFAOYSA-N 376.501 2.711 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(-c4ccccc4)nn32)cc1 72333023 LUAIBMVVTNACLX-QGZVFWFLSA-N 390.399 2.859 0 40 GFAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)n1cnc2ccccc21 72324159 ABHPIIMFOZKUBJ-NVXWUHKLSA-N 389.459 2.902 0 40 GFAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1)C1CCC1 72321108 WSYUZMDIYZTIDC-IFMALSPDSA-N 394.471 2.886 0 40 GFAB biogenic,in-vitro CC(=O)N1CC[C@@H](c2nn(CCNCc3ccccc3Cl)c3nccnc23)C1 72391605 QNEDGGXZVYAVTL-MRXNPFEDSA-N 398.898 2.605 0 40 GFAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cc(C)n(CC(F)(F)F)n1 565411476 VOHUVZRUXUUBPI-UHFFFAOYSA-N 383.373 2.623 0 40 GFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1 223793499 UMKAYOVYPVVUNR-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB CN1CCc2ccc(NC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2C1=O 136453556 JGKYNUCJMZANIF-INIZCTEOSA-N 378.476 2.963 0 40 GFAB Cc1c(O)ccc2c(CN3CCN(CCc4ccncc4)CC3)cc(=O)oc12 20744734 WHDYJCRVSNIAIQ-UHFFFAOYSA-N 379.460 2.562 0 40 GFAB biogenic C[C@@H](O)c1ccc(CCNS(=O)(=O)c2ccc(-n3cccn3)cc2)s1 225689560 RGJKVCCKADFGDX-CYBMUJFWSA-N 377.491 2.508 0 40 GFAB Fc1ccc(Br)cc1-c1nnc2sc(Cn3cccn3)nn12 40285563 ZETOJTUVQSVOPA-UHFFFAOYSA-N 379.218 2.999 0 40 GFAB O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CCn2ccnc2)CC1 77099953 NUDSTQNFLSYXCE-UHFFFAOYSA-N 389.503 3.000 0 40 GFAB CCCSc1nnc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)s1 225168894 SLCBEECQNVPZNT-UHFFFAOYSA-N 387.508 2.936 0 40 GFAB CCN(c1ccc(C(=O)Nc2nnc(SC)s2)cc1)S(=O)(=O)CC 225470631 YOATYKBYQSVHEC-UHFFFAOYSA-N 386.524 2.688 0 40 GFAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccs1 225126075 LENOVAZUKYFGSN-UHFFFAOYSA-N 385.463 2.524 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)c(F)c2)s1)c1ccccc1 223544461 OLVNOYQTWZKHOV-UHFFFAOYSA-N 396.400 2.869 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222479943 OUNGSZCRMSIHJW-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2ccc(F)cc2)CC[C@@]1(C)O 514289893 LXBLEXMJRSJDGW-SLFFLAALSA-N 392.496 2.716 0 40 GFAB biogenic,in-vitro O=C(COc1ccc2c(c1)NC(=O)CC2)NCCc1c[nH]c2ccc(F)cc12 96231046 BXGHYSJLSJONFR-UHFFFAOYSA-N 381.407 2.929 0 40 GFAB Cc1ccc(N2CCC[C@@]3(CCN(S(=O)(=O)Cc4ccccc4)C3)C2)nn1 96217021 PZWHCQYSUQNACI-HXUWFJFHSA-N 386.521 2.607 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(F)cc1 96520140 KAGZJDPITWKEHS-ZJUUUORDSA-N 392.617 2.621 0 40 GFAB CCOC(=O)[C@H](C(C)=O)[C@@H](c1cc(F)cc(F)c1)[C@H](C(C)=O)C(=O)OCC 255188942 MSJLSONBWFGZRX-BJWYYQGGSA-N 384.375 2.585 0 40 GFAB CN(C)CCOc1cccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)c1 257216597 CVGMVBBXLFNMAI-GMAHTHKFSA-N 398.503 2.672 0 40 GFAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(C(=O)c2cncnc2)CC1 257308544 TXDTYPQLQDDJAX-UHFFFAOYSA-N 395.488 2.808 0 40 GFAB COc1cccc(CN2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)c1 257264774 LVZKWLPPPHDWQC-SFHVURJKSA-N 378.436 2.592 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cncc(-c3ccccc3F)n2)C1 257292373 QLEWRRFWBKUYLC-IBGZPJMESA-N 381.411 2.538 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)c(C)c1 90584353 QRWZQWSIMOVMRE-SFHVURJKSA-N 394.518 2.591 0 40 GFAB COc1cccc(C2(c3noc([C@@H]4CC(=O)N(c5cnn(C)c5)C4)n3)CCC2)c1 624624299 PGHXVUMZQHVPAK-CQSZACIVSA-N 393.447 2.802 0 40 GFAB O=C1NCCN(S(=O)(=O)c2ccc(C(F)F)o2)[C@H]1CC1CCCCC1 1669808516 WASLOQKBILPQPN-LBPRGKRZSA-N 376.425 2.677 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCOC[C@H]1c1cccc(F)c1 657169246 MRYBJRQQJBKBCW-KRWDZBQOSA-N 393.436 2.749 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1ccccc1)C(C)C)C2=O 58074268 NSGMULKVFHNBGK-BPVAQJAMSA-N 386.496 2.505 0 40 GFAB COC(=O)c1cccc(Cn2nc3n(c2=O)C(=O)N(c2ccc(Cl)cc2)C3)c1 1547201226 QXQBIBRFYBYXEU-UHFFFAOYSA-N 398.806 2.521 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(I)c1 5443516 CQDHAGSXAIOZQZ-UHFFFAOYSA-N 394.168 2.838 0 40 GFAB CCSc1nnc([C@H]2CCCN(CC(=O)Nc3nc(C)cs3)C2)n1C 5001506 STKYCRXNXBPNFX-LBPRGKRZSA-N 380.543 2.510 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@H]1C(=O)OC[C@H]1C2 5767109 YLMOLECRVWEACO-GBLZOACLSA-N 398.411 2.918 0 40 GFAB COc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(O)c([S@@](C)=O)c2)cc1 11726816 PAQZZCOZHPGCFW-DEEXRXHISA-N 377.506 2.783 0 40 GFAB in-man O=C(CN1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)NCCC1=CCCCC1 12087294 GJCVBKBIMYEVIN-QHCPKHFHSA-N 397.519 2.650 0 40 GFAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccccc2F)C3)c(OC)n1 12180999 DNBJCXMGEJKEOP-GWTOYCKXSA-N 387.455 2.753 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)cc1OC 16284938 COYWNPLEFYPCCH-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB COc1ccc(OC)c(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)c1 16944294 WIKAQXVOFLXBCK-UHFFFAOYSA-N 397.475 2.601 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(C)c1C 19556114 KSYQIOFEOQUQPE-CQSZACIVSA-N 396.539 2.601 0 40 GFAB COc1ccc2nc(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)ccc2c1 19563703 YWCOMFIXSVCSLL-UHFFFAOYSA-N 399.454 2.947 0 40 GFAB Cc1c(C(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)oc2ccccc12 19566282 NWWLRHHOMFTZIY-HNNXBMFYSA-N 389.459 2.993 0 40 GFAB CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 19583221 KAEBQJXSWUAAHR-KRWDZBQOSA-N 395.482 2.691 0 40 GFAB O=C(CN1CCC(Oc2cnccn2)CC1)Nc1nc2ccc(F)cc2s1 19656693 PMYSQXJOJHHESK-UHFFFAOYSA-N 387.440 2.707 0 40 GFAB Cc1ccc2nc(NC(=O)CN3CCC(Oc4cnccn4)CC3)sc2c1 19658039 SQQDQOCWQZIVFW-UHFFFAOYSA-N 383.477 2.877 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1c1cc(CN(C)C)n(C)n1 19709160 WYMDZTQBSKLYKY-QGZVFWFLSA-N 386.496 2.866 0 40 GFAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 18149765 HMKLACVMKXLODH-OAHLLOKOSA-N 380.448 2.558 0 40 GFAB O=C(c1onc2c1CCCC2)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888890108 RLHHTIRUQQZQPL-XCLFUZPHSA-N 386.427 2.804 0 40 GFAB CCCCOc1ccc(C(=O)NCCn2nc(C(F)(F)F)ccc2=O)cc1 1888921670 SOJAKGCTCPYXQH-UHFFFAOYSA-N 383.370 2.871 0 40 GFAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1cc(-c2cccs2)on1 238931872 VDNVCVUXMBAWKB-CQSZACIVSA-N 397.412 2.853 0 40 GFAB CC(C)c1nc2ccc(C(=O)NC[C@@]3(O)CCCN(c4ccccn4)C3)cc2[nH]1 2037880057 RUOGSKGJASXQQF-QFIPXVFZSA-N 393.491 2.843 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2)CS(=O)(=O)C3)cc1 4088664 SNONARXMLXRAOU-UHFFFAOYSA-N 383.429 2.562 0 40 GFAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2)NC(=O)N3)cc1 4776256 PUUWQNRYAQLDHB-GOSISDBHSA-N 383.835 2.999 0 40 GFAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21 5375436 ASMDQFHHCLLJTP-UHFFFAOYSA-N 398.440 2.758 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1C 8961565 ASYIDZJRCNDJNO-UHFFFAOYSA-N 390.461 2.659 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)NCc1cccs1)c1cccc2ccccc12 10333585 CECHHGYJNBESNO-IBGZPJMESA-N 381.501 2.937 0 40 GFAB O=C(NC1CN(c2ncnc3ccsc23)C1)C1(c2ccccc2)CCOCC1 1775975752 NFAGCFBVTVNBQX-UHFFFAOYSA-N 394.500 2.745 0 40 GFAB CCOc1ncccc1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206843978 PPFWOLCONSVFQH-HNNXBMFYSA-N 380.404 2.769 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](Oc3cc(C)nc(C)n3)C2)c1 575609550 MYYQIVXFRMBPAX-KRWDZBQOSA-N 375.494 2.942 0 40 GFAB O=C(NCC(=O)N1CC[C@@H](Oc2ccncc2Cl)C1)OCc1ccccc1 575611014 RPINMBBHQCJDFB-OAHLLOKOSA-N 389.839 2.641 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C 19556159 DZQMUBHFEAZSIZ-DJJJIMSYSA-N 382.512 2.559 0 40 GFAB O=C(O)/C=C/C(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2Cl)cc1 17079173 XJCBWTFLWQAIES-MDZDMXLPSA-N 387.775 2.959 0 40 GFAB NC(=O)[C@H]1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)=NN1c1ccccc1 30662641 WRDRBVOIZJUAQR-HXUWFJFHSA-N 391.475 2.736 0 40 GFAB CN(CCO)c1nc(NCc2ccco2)c2cnn(-c3ccc(F)cc3)c2n1 40288465 IMUKQKFXEOQHBN-UHFFFAOYSA-N 382.399 2.588 0 40 GFAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(C)cc2C(C)=O)n1 32623879 ORSQCXJFAYYKOM-UHFFFAOYSA-N 382.825 2.654 0 40 GFAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)c1ccc2c(c1)NC(=O)CO2 21475446 RIDHCXAQXJCLJL-ZETCQYMHSA-N 386.355 2.528 0 40 GFAB CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1cccs1 21494769 CAOSBMORMAYBNM-INIZCTEOSA-N 381.523 2.988 0 40 GFAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 23046026 XJTZZZDFMYCGHP-SNVBAGLBSA-N 380.322 2.988 0 40 GFAB CC(C)(C)OC(=O)NCCCCN(C[C@@H]1CNC(=O)C1)C(=O)OC(C)(C)C 1857795154 PSWKNBSKLQHDDG-AWEZNQCLSA-N 385.505 2.665 0 40 GFAB COc1ccc(CCc2nnc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)s2)cc1 71288143 PONUFCKSIQBZKF-ZIAGYGMSSA-N 375.450 2.627 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 24753818 HEDGKAWWDLKENK-OWCLPIDISA-N 390.480 2.536 0 40 GFAB NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccncc1 55355824 LFRQLVPDXWQLNU-UHFFFAOYSA-N 375.428 2.788 0 40 GFAB COc1cc(OC)cc([C@@H](NC(=O)c2n[nH]c3ccccc23)c2nccn2C)c1 24983680 GWJIWISKIFOWLY-GOSISDBHSA-N 391.431 2.833 0 40 GFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(c4ccccn4)CC3)c12 55473376 MLKMMFPOAJSLOD-UHFFFAOYSA-N 378.480 2.758 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC 4922717 MVUKRXYLDONAOW-UHFFFAOYSA-N 386.404 2.848 0 40 GFAB CCOc1ccc(NS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1 6784743 XSXIZGGPGLEICQ-UHFFFAOYSA-N 379.463 2.572 0 40 GFAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O 7803643 VJMZXOXFDCYASK-UHFFFAOYSA-N 392.887 2.875 0 40 GFAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)C2)n1 56131567 WVDMIQQDRGMNBX-ZYHUDNBSSA-N 380.857 2.992 0 40 GFAB C[C@@H]1CN(C[C@@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@@H](C)O1 107341503 IWDHBSVWICPOAG-ZHALLVOQSA-N 393.487 2.534 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2csc(NCc3ccccc3)n2)n(C)n1 10600371 YRXRWFXXSAJUOW-UHFFFAOYSA-N 385.449 2.593 0 40 GFAB COc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 57373628 GBXYCJNRJNICRA-HNNXBMFYSA-N 383.448 2.573 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426915 WWIHQFSMHSBRHB-UHFFFAOYSA-N 399.516 2.806 0 40 GFAB O=C(NCC1(c2ccccc2)CCCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 25251838 LDRYNXIFMBKRHS-UHFFFAOYSA-N 377.444 2.848 0 40 GFAB CCOC(=O)/C=C1\SCC(=O)N1CCSc1nc2ccc(C)cc2[nH]1 52580581 UHTLHLBWNHEDQB-DHDCSXOGSA-N 377.491 2.943 0 40 GFAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 58192765 XSCXWUOLUIFDNS-GCJKJVERSA-N 397.496 2.976 0 40 GFAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 58216693 KMXFZWLMRZVEDN-SFHVURJKSA-N 375.787 2.885 0 40 GFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)CCn2cnc3ccccc32)c1 10516129 GOYWASGOQHLELD-CQSZACIVSA-N 389.477 2.734 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 100750066 AKIBINSBYHFUTE-KPLVRAHFSA-N 380.492 2.819 0 40 GFAB NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 52919873 PUWAEINYHUUKKE-UHFFFAOYSA-N 395.440 2.839 0 40 GFAB CCc1cc2c(=O)n(NC(=O)/C=C/c3cnn(-c4ccccc4)c3)cnc2s1 29027499 MFYFQVPZYPEATG-CMDGGOBGSA-N 391.456 2.990 0 40 GFAB Cn1c(C(=O)Nc2nc(CC(N)=O)cs2)c(Br)c2ccccc21 48253772 PFXLVDPQFFTHIT-UHFFFAOYSA-N 393.266 2.677 0 40 GFAB O=C(CCNC(=O)NC1CCCCC1)NCc1ccccc1Cn1cccn1 12774262 DELGKVLUQXHLAX-UHFFFAOYSA-N 383.496 2.570 0 40 GFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)c12 101552668 WDIBGRGANOGQPC-HUUCEWRRSA-N 379.464 2.892 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc2c(c1)CCC2 3378523 SDTAWUIZXKBTMF-QFIPXVFZSA-N 375.428 2.507 0 40 GFAB O=C(Cc1csc(Cc2ccccc2)n1)NCCC(=O)Nc1ccccn1 48326632 QZACMROGHKRNNO-UHFFFAOYSA-N 380.473 2.816 0 40 GFAB COc1ccccc1-c1nnc(SCN2C(=O)c3ccccc3C2=O)n1C 3456679 HUZWVTBHOHICRC-UHFFFAOYSA-N 380.429 2.837 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1 3593616 ZJQVVEMSXDUOIU-FQEVSTJZSA-N 399.834 2.948 0 40 GFAB CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 3529551 RPQFTBJDUTWXEN-UHFFFAOYSA-N 399.491 2.640 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1C 409139532 AWPDRPIPXZTWGN-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB CCOc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38834327 NJDZYSKBJXGPAW-GOSISDBHSA-N 390.461 2.641 0 40 GFAB COc1cccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1 6182433 CNPIUWJFASUDDT-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB O=C(NCCOCCOCCNC(=O)Nc1ccccc1)Nc1ccccc1 4317518 LBYXJPMKMLZJNF-UHFFFAOYSA-N 386.452 2.663 0 40 GFAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 4351766 OYQQFCDGUMLTGA-AWEZNQCLSA-N 380.400 2.832 0 40 GFAB COc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)c4ccc(Cl)cc4)n3n2)cc1 9332174 QUVYGJNVCBNJCV-UHFFFAOYSA-N 395.806 2.999 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 408612930 ZQEICUADQOICGC-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1F 5638243 HQISDGGTGXMSSX-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)c1 4876836 XPCVMZFZVZJTLY-UHFFFAOYSA-N 385.424 2.731 0 40 GFAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc2c(c1)OCO2 4890604 MFRILBPDQZVGFM-CYBMUJFWSA-N 396.399 2.726 0 40 GFAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)ccc1O 5867185 FDOVRCJMODHMEW-SFHVURJKSA-N 384.457 2.937 0 40 GFAB O=C(Nc1ccc(-c2nnco2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1 67478808 CXPCNBBXBNFGLM-SFHVURJKSA-N 376.416 2.909 0 40 GFAB CC(C)N(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889722 IDQHHVMSKBRIFV-INIZCTEOSA-N 390.509 2.891 0 40 GFAB C[C@H](CNC(=O)[C@@H](C)OC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 7786363 KSYCATYXPXWAOL-HZPDHXFCSA-N 378.432 2.733 0 40 GFAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc(OC)c1OC 8059632 XYNCJHJBHYMTBY-UHFFFAOYSA-N 377.462 2.680 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)CC1 20634595 YQYRLGZGFMXYQL-MRXNPFEDSA-N 378.856 2.555 0 40 GFAB O=C(NCc1ccco1)c1ccccc1NCc1cc(=O)n2ccsc2n1 8194281 SQRZXBBXRAJHBT-UHFFFAOYSA-N 380.429 2.891 0 40 GFAB COc1ncccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 96997527 ADEZVMJHDOYXRM-FOWTUZBSSA-N 397.456 2.865 0 40 GFAB CC(C)COc1ccc(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cn1 72295416 BWFVFIMKNPXPMQ-GOSISDBHSA-N 397.475 2.526 0 40 GFAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCN(C)CC2)o1 22938464 HBBIHEQNZUPXQT-LJQANCHMSA-N 394.475 2.962 0 40 GFAB CC(C)n1ccc2c1CN(CC(=O)N(C)C)Cc1cn(Cc3ccccn3)nc1-2 306140645 UZKKHYAODBOXFY-UHFFFAOYSA-N 392.507 2.780 0 40 GFAB c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCCC[C@H]2[C@@H]1N1CCOCC1 51002516 NNKLHIKTXJPZQM-XJABCFGWSA-N 382.508 2.598 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 408555525 AZWNDGXWIMQHEZ-QGZVFWFLSA-N 394.537 2.889 0 40 GFAB CCOC(=O)CCC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 38891605 NNVQCBMTGBVBEC-UHFFFAOYSA-N 393.534 2.859 0 40 GFAB COc1cccc(-c2cncc(C3CCN(C(=O)CN4CCCC4)CC3)n2)c1 72359675 XBCYZQDCIRCUBU-UHFFFAOYSA-N 380.492 2.954 0 40 GFAB CC(C)(C)c1nc(O)c2nnn(C3CCN(C(=O)c4cccs4)CC3)c2n1 72335675 QMJREKZTJJAZIE-UHFFFAOYSA-N 386.481 2.763 0 40 GFAB CC(C)Oc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 219737673 GEACFOLDPGLPAK-UHFFFAOYSA-N 388.489 2.927 0 40 GFAB COCCCNc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217610023 JILILSDENHLKCJ-AWEZNQCLSA-N 392.477 2.873 0 40 GFAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 33714710 NTLGEBKONYGIQW-VNTMZGSJSA-N 395.455 3.000 0 40 GFAB COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1OC 72330825 WKLHURPGJOJKNY-XBXARRHUSA-N 391.370 2.855 0 40 GFAB CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccco3)cc(=O)n21 41077137 SBMXNDACCDWZOA-UHFFFAOYSA-N 393.403 2.725 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccc2c(c1)OC(F)(F)O2 43851217 KWKXVENGGGJZGK-UHFFFAOYSA-N 392.362 2.561 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)Nc2cccnc2)s1)c1ccccc1Cl 223055731 NAPKACIMDAFSRH-UHFFFAOYSA-N 395.853 2.640 0 40 GFAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cc(-c2cccnc2)on1 225807614 POLOCVOTFRJNNN-UHFFFAOYSA-N 388.309 2.728 0 40 GFAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc2nsnc2c1 225808964 CFELQLOXCSZMKF-UHFFFAOYSA-N 378.339 2.683 0 40 GFAB CCCc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 223862142 JSMQRKYOFZHDQX-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 48066033 FWILCURGPSGSGA-MAEFMKOSSA-N 389.496 2.882 0 40 GFAB C[C@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc(F)cc1 220095321 JVTFMWDYAFIJCT-NSHDSACASA-N 386.395 2.747 0 40 GFAB Cc1cccc(Cl)c1N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 585083791 PGKCHNPSQTUJNV-UHFFFAOYSA-N 382.917 2.510 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1ccc(Cl)s1)C2 585138807 QRDXGXLQLQPUFU-UHFFFAOYSA-N 384.910 2.737 0 40 GFAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3ccnnc3)CC2)n1 257241962 IAKNWIXUCDDFGH-UHFFFAOYSA-N 378.436 2.867 0 40 GFAB C[C@@H]1O[C@H](NC(=O)c2ccccc2F)[C@@H](NC(=O)c2ccccc2F)O[C@H]1C 251979307 FKTZWRKOVOUXRB-HIGYNYDNSA-N 390.386 2.601 0 40 GFAB CC(C)[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 260892918 FKDQKBVPQAKPEW-SUMWQHHRSA-N 382.526 2.672 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc1 96025162 SJGHELKNIHXABP-UHFFFAOYSA-N 385.445 2.647 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104414 XARHQVCZLOTVPS-UHFFFAOYSA-N 393.877 2.643 0 40 GFAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2O 169337287 AKSMCYXVBDZJRK-QOGIMEQTSA-N 380.481 2.510 0 40 GFAB biogenic O=C1N[C@]2(COC3(CCN(C(=O)c4cccs4)CC3)C2)Nc2ccccc21 72325180 CAPMVEVWRSEKDD-HXUWFJFHSA-N 383.473 2.695 0 40 GFAB C[C@H](C(=O)Nc1nccs1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 54216100 CSAKFSFEBMKTRE-LLVKDONJSA-N 393.900 2.869 0 40 GFAB Cn1nc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n(C2CC2)c1=O 77148956 NUQCNLCZBXHHGQ-UHFFFAOYSA-N 375.860 2.982 0 40 GFAB CN1C[C@@H](C(=O)Nc2ccc3c(cnn3C)c2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595893 RFMPAIBZCANWCN-UWVAXJGDSA-N 380.423 2.962 0 40 GFAB O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 5150614 XEWIUPFMDBBCTJ-OEMYIYORSA-N 381.453 2.774 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 12117235 QGRHOVWGQRDZMF-KRWDZBQOSA-N 376.464 2.909 0 40 GFAB O=C(NN1C(=O)S/C(=C\c2cccc(O)c2)C1=O)c1ccc([N+](=O)[O-])cc1 15223471 ISXAQIWXRAJCND-ZROIWOOFSA-N 385.357 2.682 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1 19008945 CDQZWROYMARNMQ-UHFFFAOYSA-N 388.489 2.759 0 40 GFAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cccc(F)c1)C2 19017367 XTNXYRVIFVUWGD-IBGZPJMESA-N 382.439 2.888 0 40 GFAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCC3)CC1)O2 19218052 AWYQSWCCOKHSEM-AOMKIAJQSA-N 384.476 2.722 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529575 NAZXNBZGXAPWPN-KCXPTXFHSA-N 396.418 2.598 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4noc5c4CCCC5)C3)cc2n1 100138314 BJTUSVDNFQTCSV-CYBMUJFWSA-N 395.463 2.884 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@H]([C@@H]2CC(=O)c3cc(F)ccc3O2)C1 12753783 GYHGAFMZYMGYCO-ZBEGNZNMSA-N 375.425 2.872 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)cc1OC 245187561 ZOKGKFKAYQNVCK-KRWDZBQOSA-N 386.448 2.629 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)N1CCCc2ccccc21 4306475 SYJXSKFDFRHLCL-UHFFFAOYSA-N 387.486 2.869 0 40 GFAB COc1ccc(Cn2c(=O)c3cccnc3n(Cc3cccc(F)c3)c2=O)cc1 6805131 SVJHWRNCWIGOOZ-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB COc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccc(C)cc2N1 6918492 KRRICIHSRIVBJQ-UHFFFAOYSA-N 391.474 2.846 0 40 GFAB COc1cc(C(=O)Nc2c(C)nc3cc(C)ccn3c2=O)cc(OC)c1OC 9617197 DDYKYFKYZMVQRH-UHFFFAOYSA-N 383.404 2.589 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1c(C)nc2cc(C)ccn2c1=O 13707579 ARCAAWWFXKUCGL-UHFFFAOYSA-N 395.415 2.540 0 40 GFAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)Cc2cccs2)CC1 2055750788 YHBYFPOCWDVPKO-UHFFFAOYSA-N 387.505 2.519 0 40 GFAB COc1ccccc1Cn1c(=O)c2cccnc2n(Cc2ccccc2F)c1=O 21780560 AAMYLNRIDKUPQX-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H](O)c1cc(-c2ccco2)cs1 1775969135 YULFHKHBKGZLJI-AWEZNQCLSA-N 384.413 2.766 0 40 GFAB CCOc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23127471 CLXHKEGSJLTGDR-UHFFFAOYSA-N 385.464 2.645 0 40 GFAB CSc1ccccc1C(=O)NCCN1CCN(C(=O)c2cccs2)CC1 38680327 OAGDLRYFEPQNTC-UHFFFAOYSA-N 389.546 2.658 0 40 GFAB O=C(O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 944061 UMFNHXMDTFOYNW-AWEZNQCLSA-N 384.251 2.943 0 40 GFAB O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1 77184957 SZYTXAPKGPLTDH-SFHVURJKSA-N 378.350 2.594 0 40 GFAB O=C(CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1 40019953 KVIBYENYJIGPEN-UHFFFAOYSA-N 385.430 2.715 0 40 GFAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 31179377 LTHXKUVLVUXPRD-SFHVURJKSA-N 392.452 2.801 0 40 GFAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20745741 OOWUAOFLEJUSLJ-MRXNPFEDSA-N 377.404 2.866 0 40 GFAB Cc1nc2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)ccc2o1 32795882 KICSJOVKIWJJLP-KRWDZBQOSA-N 385.445 2.928 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2CSC[C@@H]2C(=O)NCc2ccccc2)c1 32809742 HYWBFCJADKSKHY-LJQANCHMSA-N 397.500 2.519 0 40 GFAB Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)ccc1N1CCCC1=O 32883707 PQEYBCZXHUBZBL-QGZVFWFLSA-N 381.432 2.958 0 40 GFAB CCn1c(CSc2nc(=O)[nH]c(C)c2C(=O)OC)nc2c(F)cccc21 102971969 LIEQKAPRYUOQMJ-UHFFFAOYSA-N 376.413 2.666 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2cccs2)cc1 23483671 KEGPRSONQGAZGT-KRWDZBQOSA-N 378.519 2.569 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc3ccccc3oc2=O)cc1 24060222 KTIRTJOQZBGJTM-HXUWFJFHSA-N 392.455 2.905 0 40 GFAB NS(=O)(=O)c1ccc(-c2ccc([C@H]3SCC(O)=Nc4[nH]ncc43)o2)cc1 79487847 JHUZGYFFICCBIP-HNNXBMFYSA-N 390.446 2.741 0 40 GFAB Nc1cc(OC(=O)c2ccccc2Cl)nn1S(=O)(=O)c1ccc(F)cc1 4562860 XNDRKDNQAZIRMB-UHFFFAOYSA-N 395.799 2.714 0 40 GFAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC(=O)NCc1ccco1 6909968 XPEIIUFEJADIOE-UHFFFAOYSA-N 378.384 2.915 0 40 GFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 7431091 HNXODKMWKDVLFE-JJRVBVJISA-N 397.475 2.583 0 40 GFAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1C 26099921 KCZYYWNFYGYFRG-UHFFFAOYSA-N 389.458 2.512 0 40 GFAB Cc1cccc(C)c1-n1nnnc1C[S@@](=O)c1ccc2c(c1)OCCCO2 108008913 DXRINJYOZRLJNH-MHZLTWQESA-N 384.461 2.748 0 40 GFAB CCOc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8040763 PRHXTDDVLSZYGO-UHFFFAOYSA-N 384.404 2.768 0 40 GFAB CCCCNC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57490973 SUJVEGXFWMAGLI-UHFFFAOYSA-N 385.489 2.747 0 40 GFAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 57486059 XYTLUOSVOPTYPR-UHFFFAOYSA-N 393.415 2.798 0 40 GFAB COc1ccc(C(=O)NCCNC(=O)Nc2ccc(OC(F)F)cc2)cc1 58227531 CAEVBQBXRDXZEI-UHFFFAOYSA-N 379.363 2.848 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc2[nH]ccc2c1 44919843 CNPUOFRAEAUAOV-UHFFFAOYSA-N 395.438 2.777 0 40 GFAB Cc1nnc(SCC(=O)NCc2nc3ccccc3n2C)n1-c1ccccc1 12507779 YSZTXMRSGIPTLH-UHFFFAOYSA-N 392.488 2.871 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccccc2)CC1 57749221 SDCLXNZLSQMNNF-QGZVFWFLSA-N 378.476 2.573 0 40 GFAB Cc1cc(OCC(=O)NCCCCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2435626 RQEFNEXWVRJUEW-UHFFFAOYSA-N 387.432 2.730 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 11717067 NRWRGXUURUTDAE-UHFFFAOYSA-N 384.461 2.516 0 40 GFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2C)cc1 3217208 GVKGEZSSTRQGGR-UHFFFAOYSA-N 389.521 2.786 0 40 GFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48248828 MKXYGZBVHWJTOC-HNNXBMFYSA-N 386.452 2.510 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CCN(c2nc3ccccc3o2)CC1 12774881 FVSAORHMLDJTSO-UHFFFAOYSA-N 379.388 2.617 0 40 GFAB COc1ccc(C)cc1C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 58142696 BCWMUPYHZMHJSD-UHFFFAOYSA-N 391.489 2.948 0 40 GFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)cc1 3336995 AKDASVVRBHECQR-SFHVURJKSA-N 390.461 2.665 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 12895100 CNMDHQHSGZAYCF-CYBMUJFWSA-N 381.432 2.750 0 40 GFAB CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 10130970 YUFPBNXVYWGKRH-SNVBAGLBSA-N 380.828 2.960 0 40 GFAB CCOc1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 10294471 UIWRDXGYFOXSCA-UHFFFAOYSA-N 392.477 2.807 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1C(=O)N1CCC(C)CC1 10541807 RGVLGQJBQQORBO-INIZCTEOSA-N 394.537 2.988 0 40 GFAB COC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CCCC2 3444019 MNICDWLVJFSSMV-UHFFFAOYSA-N 386.429 2.960 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc2c3c(cccc13)CC2)C(=O)OC 12901945 YEWSMSVBJWDVEY-ZUOKHONESA-N 383.444 2.799 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(Cc2ccccc2)s1 12947297 ZYRWMUQQRBWNMG-UHFFFAOYSA-N 391.456 2.937 0 40 GFAB COc1cc(CCNC(=O)[C@@H](C)NC(=O)c2ccccc2)ccc1OC(F)F 12916681 HHXDRYFHSGNJHC-CYBMUJFWSA-N 392.402 2.774 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1c[nH]c2ccccc12 13005762 NBTGOMTWENDOHV-UHFFFAOYSA-N 390.237 2.612 0 40 GFAB Cc1ccc(C(=O)CCC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)s1 95455886 GVICDRVFHITXOM-OAHLLOKOSA-N 377.554 2.646 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1C 19603016 ZYPILDBBPYNHRQ-UHFFFAOYSA-N 391.475 2.576 0 40 GFAB Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccccc3)ccc21 13688200 YBAXNBRHVHWYCX-IBGZPJMESA-N 392.459 2.663 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 6150496 QHGOGSFYWGEDEB-LJQANCHMSA-N 394.471 2.876 0 40 GFAB O=C(CSC(=S)N1CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 5287015 UVVOWZCZADHCSQ-UHFFFAOYSA-N 381.567 2.895 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 5223198 DUFGHISOVXCJHG-UHFFFAOYSA-N 390.442 2.723 0 40 GFAB C[C@]1(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CCS(=O)(=O)C1 6552816 PVLSSHHWDUYLHE-NRFANRHFSA-N 395.484 2.846 0 40 GFAB COC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 67205755 WIGWAYKHSOCGSL-UHFFFAOYSA-N 377.400 2.644 0 40 GFAB Cc1ccc2cccc(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)c2n1 9422833 XMQSOLHBGCUSDK-UHFFFAOYSA-N 376.825 2.642 0 40 GFAB COC(=O)c1ccc(COc2ccc(/C=C3\SC(=O)NC3=O)cc2OC)o1 7154903 RWAAGMHDJHMFMU-NVNXTCNLSA-N 389.385 2.978 0 40 GFAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 7248469 ASGIPNMGHXYRSY-OJXHRBAXSA-N 391.942 2.786 0 40 GFAB Brc1ccc(OCc2nnc3sc(-c4cnccn4)nn23)cc1 9576698 CYKYAICDCCWGDZ-UHFFFAOYSA-N 389.238 2.984 0 40 GFAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 8076271 CXOUALXMUMZYTH-MRXNPFEDSA-N 398.426 2.807 0 40 GFAB COc1ccc2nc(N3CCN(c4ccc(C(N)=O)cc4)CC3)c(C)cc2c1 95983970 UDRWGBLVWKITBS-UHFFFAOYSA-N 376.460 2.977 0 40 GFAB CCOc1ccc(-c2cn(C3CN(C(=O)c4ccc(COC)o4)C3)nn2)cc1 95998032 GYLVHZYHDFIPCY-UHFFFAOYSA-N 382.420 2.780 0 40 GFAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2ccc(OC)cc2)c1O 1547204206 QPURZOPKKVLROB-KRWDZBQOSA-N 389.448 2.602 0 40 GFAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 20454668 WRJMFPAIVUVIRX-UHFFFAOYSA-N 398.488 2.507 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 33668552 HQTDBYPOAMOFSK-UHFFFAOYSA-N 380.231 2.995 0 40 GFAB CCOC(=O)[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218428193 DIILFAYCTWVVDP-SOLBZPMBSA-N 379.865 2.540 0 40 GFAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(S(=O)(=O)C(C)C)C2)n1 72363647 TVHIUVLICNCZCD-OAHLLOKOSA-N 375.498 2.841 0 40 GFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccccc1 224065079 LCSRDTCHBNSNRU-CABCVRRESA-N 376.478 2.727 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(OC)cc2=O)c(OC)c1 49407630 OJXKNRCKPGVCKT-UHFFFAOYSA-N 399.378 2.650 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 223457278 BPOAAKDBXNGHAP-SFHVURJKSA-N 388.439 2.767 0 40 GFAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COCc1ccccc1 224354522 YIVFTPSBIQRRMQ-UHFFFAOYSA-N 382.460 2.750 0 40 GFAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)Nc1ccn(C)n1 227159812 WBKMNVMPINTWRW-LLVKDONJSA-N 390.241 2.774 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1CN2CC1CC1 96143918 MKDJMGBNBBDDLW-GGAORHGYSA-N 377.488 2.950 0 40 GFAB Cn1ncc2ccc(CNC(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)cc21 585085289 MMVANEWKJQCWQK-LLVKDONJSA-N 377.370 2.737 0 40 GFAB CN([C@H](C(=O)NCCSC1CCCCC1)c1ccccc1)S(C)(=O)=O 260763836 HOAZFDFNSNCKFJ-KRWDZBQOSA-N 384.567 2.801 0 40 GFAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nn1ccc(O)nc1=O 1630858167 HBBNONGPBYWZHY-UHFFFAOYSA-N 392.390 2.939 0 40 GFAB O=C(NCCc1ccc2c[nH]nc2c1)[C@H]1CCCN1c1ncnc2sccc12 671879761 LWLLQFFUALTEKW-QGZVFWFLSA-N 392.488 2.895 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1Cl 96096512 VOHHHPUAWBZFQG-QGZVFWFLSA-N 394.880 2.852 0 40 GFAB CCCc1nnsc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96104128 IALQHVLBESATBI-UHFFFAOYSA-N 397.497 2.708 0 40 GFAB Cn1c(=O)c2snc(-c3ccccn3)c2n(Cc2cccc(Cl)c2)c1=O 65233120 HBUWOAARKHMJCD-UHFFFAOYSA-N 384.848 2.920 0 40 GFAB CCOC(=O)c1nc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cs1 48009417 LRIXILLRDPKWLV-UHFFFAOYSA-N 387.505 2.573 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2O)CC1 59361412 PRBGRPHJILEVEX-OAHLLOKOSA-N 399.878 2.747 0 40 GFAB Cc1c(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)oc2ccc(Br)cc12 84067747 NOBNDDYAUJMUDX-XHDPSFHLSA-N 381.270 2.953 0 40 GFAB CC(=O)N1c2ccc(NC(=O)[C@]3(C)CC(=O)N=C4C=C(C)C=CN43)cc2C[C@@H]1C 12204646 ACZWQPKILKCREY-FPTDNZKUSA-N 392.459 2.786 0 40 GFAB Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1C 12855848 WDIVOSYKFYXFDL-UHFFFAOYSA-N 383.467 2.768 0 40 GFAB COc1ccc(CCNCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC 13999192 KWTYOMGOEAKNHT-UHFFFAOYSA-N 396.443 2.649 0 40 GFAB CCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 14153829 XMNQBUYALUIGDA-UHFFFAOYSA-N 394.468 2.946 0 40 GFAB CCOc1ccc(CNS(=O)(=O)c2cc(OC)ccc2OC)cc1OCC 14233815 FXOYLNFGBQJOSY-UHFFFAOYSA-N 395.477 2.980 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 14397609 LAFDPWXESCRNQO-NSHDSACASA-N 375.352 2.805 0 40 GFAB Cc1nc(NC(=S)NC(=O)CC(C)C)ccc1I 17077136 OGRCXBGERLWVPR-UHFFFAOYSA-N 377.251 2.854 0 40 GFAB Cc1ccn(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)n1 19238054 QKJCVBMGLPVTDI-QGZVFWFLSA-N 391.475 2.635 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](c2nnc(-c3cccnc3)o2)C1 19341421 JJBVUABABZGWQM-CYBMUJFWSA-N 390.852 2.963 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)C(C)(C)C 19468407 WPUMQFSRDPGJFU-OAQYLSRUSA-N 386.448 2.532 0 40 GFAB CCO[C@@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 623682680 YSOMOTSDGOCUGA-GFCCVEGCSA-N 376.766 2.833 0 40 GFAB Cc1cnn(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c1 12256152 BFYSUXHCWIKYLO-KRWDZBQOSA-N 391.475 2.635 0 40 GFAB O=C1CN(C(=O)CN2CCC[C@@H](COc3ccc(F)cc3)C2)c2ccccc2N1 19658133 YBTUVWSCTSRMOZ-MRXNPFEDSA-N 397.450 2.902 0 40 GFAB Cc1nc(C2CC2)nc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c1F 1888860473 MAMTWMPMFUFBAM-UHFFFAOYSA-N 382.365 2.937 0 40 GFAB CCn1c(N2C[C@H]3CN(C(=O)Cc4c(C)noc4C)C[C@@H]3C2)nc2ccccc21 1888897653 NQKLTXAKAAMVIM-IAGOWNOFSA-N 393.491 2.798 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CC(Cn2cc(Br)cn2)C1 1889191886 MPYKBQNRKXULCF-UHFFFAOYSA-N 384.661 2.836 0 40 GFAB O=C(CNC(=O)c1cccs1)Nc1ccc(I)cc1 6948908 LZOQOVDYQZLMDD-UHFFFAOYSA-N 386.214 2.721 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 2037840404 LXYCYRPKWULGKW-UHFFFAOYSA-N 380.444 2.733 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(I)cc1 100057544 BMJVLFNSTCZFLG-MBIARJLFSA-N 391.208 2.849 0 40 GFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccccc3)ccc12 2712203 JTWCRVIMDCJGFX-UHFFFAOYSA-N 380.400 2.582 0 40 GFAB O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1ccco1 4328771 FMWSRJQHPDXIPL-UHFFFAOYSA-N 394.503 2.782 0 40 GFAB O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)NCc1ccco1 4328517 HOPNWACUFFMUGU-UHFFFAOYSA-N 388.474 2.721 0 40 GFAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)c(OC)c1 7458846 YKTYYWUQTUTDOF-UHFFFAOYSA-N 399.378 2.650 0 40 GFAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCCCc1ccccc1 12440696 FBGRGABECIRYTI-UHFFFAOYSA-N 377.462 2.736 0 40 GFAB COc1ccccc1C1(CNS(=O)(=O)CCc2ccccc2)CCOCC1 16973157 WLLAOQZCKKXLIF-UHFFFAOYSA-N 389.517 2.906 0 40 GFAB O=C(NCC1(N2CCOCC2)CCSCC1)c1cc(-c2ccccc2)on1 1775976072 VGLIYNCYFIULJE-UHFFFAOYSA-N 387.505 2.669 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccsc2)c2cccs2)CC1 575415071 YNEYEMDMNGUYKH-OAHLLOKOSA-N 384.548 2.687 0 40 GFAB CC(=O)c1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)cc1 4306518 JJPFGSUOLMDRHU-UHFFFAOYSA-N 389.458 2.731 0 40 GFAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 20307974 HKBVLWPWFSBPJK-GOSISDBHSA-N 396.468 2.732 0 40 GFAB O=S(=O)(C1=CC=C[C@H]2N=S=N[C@H]12)N1CCC(Cc2ccccc2)CC1 101409253 JNCXUUWFQVPTDV-AEFFLSMTSA-N 375.519 2.925 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 32964260 GUDNXNBHGUCFCM-HXUWFJFHSA-N 398.459 2.964 0 40 GFAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1nnc(N2CCOCC2)s1 102961683 ZKPRRQCXYSLAHG-UHFFFAOYSA-N 394.305 2.655 0 40 GFAB O=S1(=O)CC[C@@H](Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C1 23153701 LOPIXLSLQBYPNE-SECBINFHSA-N 398.275 2.721 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1cccc2ccccc12 23389405 LIOBKBUVKPXBRX-KRWDZBQOSA-N 389.455 2.948 0 40 GFAB Cc1ccc2ccccc2c1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 707564 ZXNPVTZZQZSAEM-UHFFFAOYSA-N 380.473 2.725 0 40 GFAB COc1c(Br)cc(Br)cc1/C=C1/NC(=S)NC1=O 793829 NUQLGDQJSZAQGS-FPYGCLRLSA-N 392.072 2.565 0 40 GFAB COc1ccc(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 2099828 AKJIFZLYILOOGR-UHFFFAOYSA-N 375.421 2.702 0 40 GFAB biogenic COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OC)cc1 2258135 SKJYWIXITDOBDR-WBMJQRKESA-N 390.461 2.533 0 40 GFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2cccs2)cs1 3357101 ASOHUIDJXJZUGH-UHFFFAOYSA-N 384.442 2.514 0 40 GFAB NC(=O)c1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)cc1 3490899 UZLVXMNFKXKWMO-UHFFFAOYSA-N 399.501 2.980 0 40 GFAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3cccs3)CS[C@H]21 4081922 XIMZTKPPTXAAHB-KPZWWZAWSA-N 390.486 2.652 0 40 GFAB biogenic COCCCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1ccco1 4161464 QSTKXTSGSOPEQM-CQSZACIVSA-N 378.498 2.925 0 40 GFAB CCCCc1ccc(-n2c(C)cn3c4c(=O)n(CC)c(=O)n(C)c4nc23)cc1 4303854 QLBPYLPRHSGQKD-UHFFFAOYSA-N 379.464 2.810 0 40 GFAB COc1ccc2c(c1)O[C@@]1(C)C[C@@H]2[C@@H](S(=O)(=O)c2ccc(C)cc2)C(=O)N1 4315560 ANISBDRBBPAZEJ-HQRMLTQVSA-N 387.457 2.558 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 4811393 MCXCMJUZCCQTSH-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccc(OC)cc2)CC1 4898084 IBALEWBPKNQVGH-UHFFFAOYSA-N 394.479 2.859 0 40 GFAB COc1ccc(OCCCN2C(=O)[C@](O)(CC(C)=O)c3cccc(C)c32)cc1 4988016 LFPRVQHNOPUQAJ-QFIPXVFZSA-N 383.444 2.986 0 40 GFAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2nnc(C)s2)n1C 4999535 UVYQHSNAWOBMCP-SECBINFHSA-N 390.494 2.770 0 40 GFAB COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CCO 5573674 JAVYDWKHIVKXHO-QGZVFWFLSA-N 385.803 2.993 0 40 GFAB CC[C@@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)NC(N)=O)n3C)cc2C1 5776347 CPFQKYRAJROQHS-VHSXEESVSA-N 393.538 2.734 0 40 GFAB CCCN(C(=O)c1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 6610243 UIGAZHRHCAXWLA-QGZVFWFLSA-N 387.505 2.789 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 7137039 WGCRRSCTYRUJNK-UHFFFAOYSA-N 387.823 2.689 0 40 GFAB O=S(=O)(c1ccc(SC/C=C/c2ccccc2)nc1)N1CCOCC1 7219992 CNHREJOVIWUFGF-QPJJXVBHSA-N 376.503 2.908 0 40 GFAB C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCO2 7735582 AMHAQRREBLRTRW-ZDUSSCGKSA-N 388.493 2.745 0 40 GFAB CN(CC(=O)N1CCNC1=O)Cc1ccc(-c2ccc(Br)cc2)o1 7988594 MDAMSNNLPVNCDW-UHFFFAOYSA-N 392.253 2.693 0 40 GFAB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O 8039589 FGFZHSZYYKZZRA-AEFFLSMTSA-N 380.444 2.769 0 40 GFAB Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(CCO)C3=O)c1 8574855 JXUPYQCGZHRTEU-IBGZPJMESA-N 379.416 2.642 0 40 GFAB Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 8732537 DYOMUBGFRLFPAI-HNNXBMFYSA-N 382.416 2.758 0 40 GFAB Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 8732539 LYTATDHRVWHRHH-HNNXBMFYSA-N 382.416 2.758 0 40 GFAB O=C1C[C@H](C(F)(F)F)N(C(=O)CSc2ncccn2)c2ccccc2N1 8762543 ZMXJZBKADNDWAY-GFCCVEGCSA-N 382.367 2.875 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1 8889569 CMCZKYKFAZTMEP-JOCHJYFZSA-N 395.459 2.904 0 40 GFAB O=C(Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)Nc1cccnc1 8992965 OCRCDYUFPVLSSR-UHFFFAOYSA-N 392.437 2.659 0 40 GFAB C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(-n2ccnc2)cc1 9378101 IQEOCWWHJAFEKE-KRWDZBQOSA-N 399.454 2.968 0 40 GFAB COCCNC(=O)Cn1c(CO)cnc1SCc1cccc2ccccc12 9827562 DNGLLPPACHEUIC-UHFFFAOYSA-N 385.489 2.584 0 40 GFAB COc1ccc(NC(=O)COC(=O)/C=C/c2c(C)nn(C)c2Cl)cc1OC 11977923 FTAZLQZXMIILEN-SOFGYWHQSA-N 393.827 2.594 0 40 GFAB O=C(Cc1cn2ccsc2n1)N1CCN(Cc2nc3ccccc3s2)CC1 12603956 KCGOVXQXBXYKSO-UHFFFAOYSA-N 397.529 2.892 0 40 GFAB Cc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 13552928 CJTOZHLFNNPZOU-OAHLLOKOSA-N 382.439 2.539 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 13585682 RRJCGHGRRLKUET-UHFFFAOYSA-N 376.459 2.834 0 40 GFAB COc1cc2oc(=O)ccc2cc1[C@H](O)[C@H](OC(=O)CC(C)C)C(C)(C)O 14589874 GMMHQFAVUZIMEL-OALUTQOASA-N 378.421 2.564 0 40 GFAB biogenic,in-vitro Cc1cc2nc3c(c(=O)n2o1)CN(C(=O)C1(c2ccc(Cl)cc2)CC1)CC3 15414282 QYKGTXHKBDFEFT-UHFFFAOYSA-N 383.835 2.866 0 40 GFAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 15781382 AWMKDADURZPPQW-UHFFFAOYSA-N 394.518 2.980 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccccc2F)c(OC)c1 15829621 DJCJSQMLGCVFRI-GOSISDBHSA-N 386.423 2.936 0 40 GFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCc1ccc(F)cc1 15961306 PGEZNRHIXMMPTL-UHFFFAOYSA-N 396.509 2.921 0 40 GFAB Cn1c(=O)n(C)c2cc([C@@H](O)COc3ccc(CNC(C)(C)C)cc3)ccc21 16322895 OLNUWDLUKOYOKO-FQEVSTJZSA-N 383.492 2.878 0 40 GFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccccc3F)ccc21 17316384 FJSYVWHDVGORFV-UHFFFAOYSA-N 392.452 2.946 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)CCc2ccccc2)C3)CC1 19016840 QSRXDCMGQBXIHC-UHFFFAOYSA-N 392.503 2.720 0 40 GFAB CN(C)c1cc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)ccn1 19584216 AEJUWSNUCNKVQW-UHFFFAOYSA-N 382.464 2.791 0 40 GFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 19709918 ZIGQQRPBDRYEKN-SFHVURJKSA-N 387.528 2.765 0 40 GFAB COc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 19935645 MSUXDVNSPNAGJK-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB Cc1nc2c(-c3ccccc3)c(C)nn2c2c1CCN2CCN1CCOCC1 20547749 POHYOIHSAQYODW-UHFFFAOYSA-N 377.492 2.708 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 21470114 DBPBUQLZBQBRMM-CQSZACIVSA-N 381.432 2.628 0 40 GFAB C[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 22230842 STNOEVYJZFTOGR-CYBMUJFWSA-N 396.896 2.992 0 40 GFAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc1 22627609 ZQYIQVKXHAWVKV-MRXNPFEDSA-N 388.493 2.750 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 23240201 OAVAQKPPZWOJLK-KRWDZBQOSA-N 384.476 2.611 0 40 GFAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccccn1 24608120 PEDWAXCRYUUPAU-UHFFFAOYSA-N 397.431 2.713 0 40 GFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCSc1ccccc1 27132777 QXUTWLSSPKFZED-ZOBUZTSGSA-N 379.551 2.621 0 40 GFAB biogenic COc1ccc(CCNC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1 28881047 IIUVBVWOPXPXTI-INIZCTEOSA-N 381.476 2.981 0 40 GFAB Cc1ccccc1-c1noc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 29836218 LVHHLTWSJHUEKL-UHFFFAOYSA-N 392.463 2.604 0 40 GFAB COc1ccc(-n2cnc3cc(C(=O)NCc4ccco4)ccc3c2=O)cc1 32096252 HTBWMNFJEYXUEJ-UHFFFAOYSA-N 375.384 2.917 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)NCc1ccccc1CN1CCCC1=O 32795636 FWTFTNQNLDDWGN-UHFFFAOYSA-N 381.432 2.537 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)CC1 32906974 VOXVXACRKTUFAG-UHFFFAOYSA-N 395.525 2.671 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)Cn3ccnc3)cc2)cc1 32932454 WGXRZIUJRWJWGN-INIZCTEOSA-N 398.488 2.811 0 40 GFAB C[C@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCNC(=O)C1 33224988 VSAKMEJXHNVEAR-SCUMNGBJSA-N 382.504 2.880 0 40 GFAB Cn1nc(NC(=O)Cc2noc3ccccc23)c2c1NC(=O)C[C@H]2c1ccco1 38519875 ZFCDCZJPWWCPOX-LBPRGKRZSA-N 391.387 2.810 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cn2)C[C@@H](C)O1 40142651 GPICVMRHUXWKFT-IYBDPMFKSA-N 392.463 2.587 0 40 GFAB CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 47319313 WORKRNLYFSXRCQ-UHFFFAOYSA-N 375.469 2.960 0 40 GFAB O=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccccc1C(F)(F)F 53234397 AXUXHFITBYQTIP-UHFFFAOYSA-N 376.334 2.660 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cn3cncn3)c2)c1 54272235 JJGKDBRXFDBITR-UHFFFAOYSA-N 390.852 2.636 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c(OC)c1 55558159 GALWQUNXCXGVAS-UHFFFAOYSA-N 377.418 2.692 0 40 GFAB CCOC(=O)c1nnsc1NC(=O)c1cccc(Cn2nc(C)cc2C)c1 60300556 YKADAPJZCDKAHY-UHFFFAOYSA-N 385.449 2.829 0 40 GFAB Cn1ccc2c(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cccc21 61719599 ABLQIKMGSCOCFZ-UHFFFAOYSA-N 391.475 2.641 0 40 GFAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 70173474 RUAQCFIYLGHWAB-ZJUUUORDSA-N 381.723 2.850 0 40 GFAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 84068171 PHJCFPZLWMIBMP-JOQOYGCGSA-N 385.464 2.714 0 40 GFAB CCOC(=O)[C@@H](C)N(C)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12 84791171 UYGNWEMFMFVPFM-CYBMUJFWSA-N 392.525 2.528 0 40 GFAB CC(C)CN1CCO[C@@H](COC(=O)c2csc(Nc3ccccn3)n2)C1 95398701 CIXMLQCOCUMRFX-CQSZACIVSA-N 376.482 2.795 0 40 GFAB O=C(Cc1noc(Cc2ccc(F)cc2)n1)Nc1ccc(N2CCOCC2)cc1 95955904 LGCQSALHCXMARR-UHFFFAOYSA-N 396.422 2.817 0 40 GFAB Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C/c3ccc(F)cc3)c(=O)n12 95959944 BDNVRUNTYLYCCJ-LDADJPATSA-N 378.428 2.702 0 40 GFAB CCOC(=O)[C@]12CCCN(Cc3ccc(F)cc3)C[C@H]1CN(CCOC)C2 96055963 XPPPHMCGAXXDBQ-RXVVDRJESA-N 378.488 2.549 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1 96098924 SAJZAOZSVYTQRS-UHFFFAOYSA-N 376.869 2.885 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(SC)cc1 96103271 ZORAWURKMXMJRT-OAHLLOKOSA-N 394.880 2.859 0 40 GFAB CO[C@@](C)(CNS(=O)(=O)c1ccc(NC(C)=O)cc1C)c1ccccc1F 96123597 STZKOHJZSRHMTR-IBGZPJMESA-N 394.468 2.933 0 40 GFAB CCn1cncc1C(=O)N1Cc2nc3c(-c4ccccc4)c(C)nn3c(O)c2C1 100215441 VQKZXJCARWASFO-UHFFFAOYSA-N 388.431 2.783 0 40 GFAB COc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CNC(C)=O)CC2)cn1 100749981 DPZWESJCCVHLPH-FVJLSDCUSA-N 396.491 2.899 0 40 GFAB Cc1nc2ccccc2n1CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100780407 QQAUCENVHPOCEA-IAGOWNOFSA-N 376.460 2.542 0 40 GFAB biogenic COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cccc(C)c4)[C@@H]3C2=O)cc1OC 101418191 JXQMVERQSGIIMI-ROUUACIJSA-N 380.404 2.506 0 40 GFAB COc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C(=O)c2ccco2)cc1 102082989 RCPCFGLABKSTLI-YXUGBTPSSA-N 392.411 2.700 0 40 GFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N[C@@H]1CCSc2ccc(Cl)cc21 103453256 QNEGFKYDVXHOJW-UMVBOHGHSA-N 390.892 2.944 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCc1cncc(-c2ccsc2)c1 206947702 UODSWVLCSGMTFT-UHFFFAOYSA-N 376.441 2.836 0 40 GFAB Cc1cc(OC2CCN(C(=O)c3cncc(Br)c3)CC2)cc(=O)o1 206973149 LFYFDZMPIPOBNV-UHFFFAOYSA-N 393.237 2.789 0 40 GFAB C[C@@H](C(=O)N1CCc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220456342 OJKNWYTYLZUTTB-LBPRGKRZSA-N 380.416 2.709 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223627411 GUKRGQBYTLJZSO-UXHICEINSA-N 394.500 2.933 0 40 GFAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COCC(C)C 224451810 KWLOALIIDKESHG-UHFFFAOYSA-N 392.477 2.768 0 40 GFAB CN1CCN(C(=O)CCc2ncc(-c3cccc(Br)c3)o2)CC1 224888754 XZGOABLPGITTNU-UHFFFAOYSA-N 378.270 2.811 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)c(C)c1C 225768177 XEQHMHRJERPXLO-UHFFFAOYSA-N 379.463 2.902 0 40 GFAB CCCNC(=S)Nc1nc(OC)cc(N2CCN(c3ccccc3)CC2)n1 225884481 ULYRYUORUBJIPI-UHFFFAOYSA-N 386.525 2.508 0 40 GFAB COc1ccc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)c(=O)oc2c1 226043202 HFAXYPDMFSWOAB-UHFFFAOYSA-N 394.427 2.773 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257226290 FJZUBSJKWLZXOM-MRXNPFEDSA-N 385.439 2.733 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1 257292374 QLEWRRFWBKUYLC-LJQANCHMSA-N 381.411 2.538 0 40 GFAB CN1C[C@@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccco3)CC2)C1 306124825 CAMFJKHBYNKMEX-NRFANRHFSA-N 397.519 2.603 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)c1 408610684 VGZIGLXTLCWCCX-AWEZNQCLSA-N 392.477 2.788 0 40 GFAB COc1ccc2c(ccn2CC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)c1 524729139 FRSPJVMAACSFTK-SYNHAJSKSA-N 381.476 2.509 0 40 GFAB biogenic Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCCc3ccccc3)C2)cc1C 585273416 UQSOCBWYNMHDJP-XMMPIXPASA-N 396.531 2.868 0 40 GFAB CC1(C)CN(c2nccn3nnnc23)C[C@H](c2cccc(C(F)(F)F)c2)O1 644944242 FDTXPGFBQUKECF-CYBMUJFWSA-N 378.358 2.895 0 40 GFAB CC1(C(=O)O)CCN(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CC1 646144187 AUCGKYDWOYCKIZ-UHFFFAOYSA-N 382.464 2.757 0 40 GFAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cccc(CC(=O)O)c1 653639234 IFFRSEWSJRCKSP-UHFFFAOYSA-N 382.416 2.811 0 40 GFAB O=C(O)COc1ccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 659756699 QECWOCOQDIOQTK-KRWDZBQOSA-N 383.400 2.899 0 40 GFAB O=C(O)C1(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCC1 663063885 ZSLBWRDPKLEOKA-UHFFFAOYSA-N 394.475 2.597 0 40 GFAB Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)NCCc1cccc(C(F)(F)F)n1 664956388 GTSIIIZOPDFXRH-ZBFHGGJFSA-N 397.401 2.514 0 40 GFAB CCCc1c(NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cnn1-c1ccccc1 666638991 SSLPJDVNUMXROR-GJZGRUSLSA-N 390.509 2.912 0 40 GFAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1 2037836274 XBNGCBUATOJWGK-CYBMUJFWSA-N 381.465 2.713 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 2037840785 QTLFISFGLKZMGD-QFIPXVFZSA-N 379.460 2.818 0 40 GFAB COc1cnccc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 2055794394 SJXFAOZZGDCTKV-UHFFFAOYSA-N 397.450 2.884 0 40 GFAB O=c1ccc(N2CCN(c3cnc4ccccc4n3)CC2)nn1Cc1ccccc1 2087090012 LYSKOBYULHVSJV-UHFFFAOYSA-N 398.470 2.561 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 12409165 BJWHEOZDOALLBM-ZDUSSCGKSA-N 376.869 2.951 0 40 GFAB COc1cc([C@H](C)c2cc3c(cc2OCCN)OCO3)cc(OC)c1OC 1630543 LIGUTTHNIDGGCQ-LBPRGKRZSA-N 375.421 2.930 0 40 GFAB COc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4cncnc4)c(=O)n2C3)cc1 4237334 JISYAVHSLHYTIN-ZWKOTPCHSA-N 388.471 2.933 0 40 GFAB biogenic,in-vitro COc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1NC(=O)/C=C/C(=O)O 4817576 OVZZYNZJGZVPFK-VOTSOKGWSA-N 388.351 2.675 0 40 GFAB O=C(CN1CCC(NC(=O)c2ccccc2Cl)CC1)NCc1ccccc1 4908588 BRBFUYPGVUEPQK-UHFFFAOYSA-N 385.895 2.851 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC1=O 6650658 CVKSXBSZUOPHOI-OAHLLOKOSA-N 382.416 2.864 0 40 GFAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 57482360 NUOYRRMNTGTJFA-SNVBAGLBSA-N 398.378 2.744 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 25818471 RTLDAAAPPPLTMS-AWEZNQCLSA-N 399.415 2.639 0 40 GFAB CC[C@](C)(CNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)N1CCOCC1 58023021 XERDJHNQNNSVDM-TZIWHRDSSA-N 391.512 2.867 0 40 GFAB CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1ccc2c(c1)OCO2 10091359 HWBHLMBURGTASA-UHFFFAOYSA-N 395.459 2.945 0 40 GFAB CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)NC2CCCC2)CC1 58213953 IOVDHYUQLQOGFI-UHFFFAOYSA-N 379.526 2.691 0 40 GFAB O=C(NO[C@@H]1CCCCO1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 58420819 QVZIFOXPEJUHCR-XJKSGUPXSA-N 386.370 2.628 0 40 GFAB CN(C)C(=O)[C@H]1CCCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 58407383 JEFOHZPWHIYTLW-LBPRGKRZSA-N 393.336 2.567 0 40 GFAB CC(C)(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4CC4CC4)nn3c2O)C1 100234418 SSLACIFDMPSGQL-GOSISDBHSA-N 397.523 2.913 0 40 GFAB Cc1ccc(Nc2nnc(SCc3cc(=O)n(C)c(=O)n3C)s2)cc1C 11232572 DUIBLGLZFFDLPQ-UHFFFAOYSA-N 389.506 2.588 0 40 GFAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 45677513 HLFXBWNWWCJBNJ-UHFFFAOYSA-N 379.460 2.684 0 40 GFAB CN1CCCN(c2ccc(CNC(=O)c3ccc(-n4cccc4)cc3)cn2)CC1 48290693 WKKAMOFCHXWTID-UHFFFAOYSA-N 389.503 2.944 0 40 GFAB CCOc1ncccc1C(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 3352770 DWQYQZAXRQGITE-UHFFFAOYSA-N 384.436 2.540 0 40 GFAB CC(C)c1nc(CS(=O)(=O)CCCc2nnnn2-c2ccccc2)cs1 62580840 IYUOUIFSZWMSFQ-UHFFFAOYSA-N 391.522 2.790 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)c2ccsc2)c1 12853524 JBYWBYXFEHPCDO-UHFFFAOYSA-N 386.882 2.564 0 40 GFAB CC(C)[C@H](OC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O 3422092 TUPGBWIRSIRRKG-KRWDZBQOSA-N 376.453 2.710 0 40 GFAB COC(=O)c1sc(NC(=O)CN2CCc3ccccc32)c(C(=O)OC)c1C 13140930 AMZQXFCEVQXDBR-UHFFFAOYSA-N 388.445 2.631 0 40 GFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(F)cc2F)c1OC 13344427 JUHUHQZWUCCUTN-ZZXKWVIFSA-N 399.371 2.881 0 40 GFAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H](O)c1ccc(F)c(F)c1 49244275 SFFVHCJGANFOOD-LIRRHRJNSA-N 375.419 2.824 0 40 GFAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)OCc3nc4ccccc4o3)cc2)C1 64006001 MIJVKRUQEVTUFL-HNNXBMFYSA-N 379.416 2.887 0 40 GFAB O=C(COc1ccccc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4183420 DRNKRMCARKKRIV-CYBMUJFWSA-N 399.921 2.996 0 40 GFAB CCOC(=O)C1CCN(C(=S)NC(=O)c2ccccc2Br)CC1 13624877 MNIRMAVLGPXFSV-UHFFFAOYSA-N 399.310 2.739 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 13856508 PJYDXDQKNPUFQZ-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 14017927 VLFWNYFPAPMQAG-QTCYRWPVSA-N 383.448 2.989 0 40 GFAB CCn1nc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c2ccccc2c1=O 6432534 ZKFHDWXGOZPOGN-QGZVFWFLSA-N 380.448 2.576 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)c3cccs3)CC2=O)c1 408641561 CSFVRIFJBAEVKP-GFCCVEGCSA-N 389.429 2.544 0 40 GFAB O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 306141731 WEXXDYKNEHXZDX-UHFFFAOYSA-N 385.537 2.851 0 40 GFAB Cc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1S(=O)(=O)N1CCCCC1 5886866 OOUWRYGGPDPQRN-KRWDZBQOSA-N 379.478 2.838 0 40 GFAB COc1ccc(C(=O)OCC(=O)NCc2cccc(Br)c2)cc1 67197763 DSPVRCQLFJKZLP-UHFFFAOYSA-N 378.222 2.931 0 40 GFAB O=C(CSCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 7540692 JLHJEPXVRFJMPT-UHFFFAOYSA-N 396.559 2.514 0 40 GFAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2C1 7779791 MWXNCTZDFKHMDU-JTQLQIEISA-N 385.445 2.838 0 40 GFAB O=C(C[S@@](=O)Cc1cc(Cl)c2c(c1)OCCO2)N1CCc2ccccc21 71801117 ZCWKSCWHNDIPQK-AREMUKBSSA-N 391.876 2.949 0 40 GFAB COc1cccc(CNC(=O)CC[S@@](=O)c2ccc3c(c2)OCCCO3)c1 72294468 ZSHYDHAWSHRVSW-MHZLTWQESA-N 389.473 2.671 0 40 GFAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 8547091 SXTZUCBHEQXVCW-HXUWFJFHSA-N 397.456 2.920 0 40 GFAB O=C1CNC(=O)N1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 72414772 PQBAIAUBBXCUMF-KRWDZBQOSA-N 396.834 2.570 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccn(C)n1 95999674 VXPUKZGGPOAZTP-KRWDZBQOSA-N 398.442 2.967 0 40 GFAB CCCO[C@@H]1CCCN(C(=O)NCc2ccc(NS(=O)(=O)CC)cc2)C1 95957637 QJGHQVPECATZNC-QGZVFWFLSA-N 383.514 2.549 0 40 GFAB O=c1nc(SCc2ccccc2F)c2c(n1[C@@H]1CCS(=O)(=O)C1)CCC2 27795598 HDDMGASKUUHKML-CYBMUJFWSA-N 394.493 2.523 0 40 GFAB COc1cc2nc(NN)n(CCc3c[nH]c4ccc(F)cc34)c(=O)c2cc1OC 408712811 TWKHMBWPYKASGX-UHFFFAOYSA-N 397.410 2.562 0 40 GFAB CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccccc3C(F)(F)F)O2)C1 306124988 CDWVVCPGVMMEBC-AEFFLSMTSA-N 386.414 2.592 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 408560433 OYTLBIVABMIVAF-ZDUSSCGKSA-N 388.917 2.522 0 40 GFAB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 408626131 ZZMXMUFZPUWYOY-UHFFFAOYSA-N 385.445 2.933 0 40 GFAB Cc1noc(C23CC(CN2C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C3)n1 529082820 OLLVMYJYVUVSMI-UHFFFAOYSA-N 396.856 2.588 0 40 GFAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77198145 WTKPQOHROMBURI-MRVPVSSYSA-N 397.325 2.935 0 40 GFAB O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2ccco2)on1 70655826 OWSMXBKYZVQEGK-UHFFFAOYSA-N 376.372 2.588 0 40 GFAB CC(=O)N1CCn2c(nnc2[C@@H]2CCCN2Cc2ccccc2N2CCCC2)C1 72373872 GFJYFTZPPXTICV-FQEVSTJZSA-N 394.523 2.578 0 40 GFAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)OC)c1 223793324 FCPHKRHMAWGUMD-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(OC(F)(F)F)cc1 77196697 CXLPGVORUZGKMJ-UHFFFAOYSA-N 388.371 2.776 0 40 GFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccnc1 223567990 FAADBLWZXRWRGC-PMACEKPBSA-N 393.516 2.849 0 40 GFAB CCc1cc(O)nc(-c2ccc(N3C[C@H](c4ccccc4)[C@@H](C(N)=O)C3)nc2)n1 573069683 IJZGBLLBGYMNLC-MSOLQXFVSA-N 389.459 2.512 0 40 GFAB CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](CNc3nccs3)CO2)C1 96075730 HZHSMZGKXVYJSA-HNAYVOBHSA-N 389.525 2.791 0 40 GFAB COCCn1cnc(-c2cc(C(=O)NCc3cccnc3)c3ccccn23)c1 96154913 HYOGLQJHGWNHFF-UHFFFAOYSA-N 375.432 2.774 0 40 GFAB C[C@@H]1[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]2C[C@H]1C2(C)C 245225250 QNHJMTKJDFGIIU-DSJMHWKBSA-N 397.493 2.528 0 40 GFAB CS(=O)(=O)N1CCc2cc([C@H](O)CN3CC[C@H]4CCCC[C@H]4C3)ccc21 247542478 SQFQHBRYJDGHQJ-MOXGXCLJSA-N 378.538 2.554 0 40 GFAB CN(Cc1ccc(OCCn2cccn2)cc1)C[C@H](O)COc1ccccc1 257266366 MCRJGJOFKFEQBW-FQEVSTJZSA-N 381.476 2.834 0 40 GFAB COc1nc(C)cc(C)c1CN1CCc2c(cccc2NS(C)(=O)=O)C1 585082868 BISLECVVDZUKQI-UHFFFAOYSA-N 375.494 2.637 0 40 GFAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(c2ccccn2)CC1 253403844 QNHHZIMWFUTBSB-ZDUSSCGKSA-N 384.461 2.814 0 40 GFAB biogenic,in-vitro C[C@@H](NC(=O)NCc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1F 654563556 LGNNPWWLXFNPMM-SECBINFHSA-N 399.268 2.890 0 40 GFAB COC[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1cccc(C(F)(F)F)c1 677813512 LHNJFIIOIGIJMJ-CYBMUJFWSA-N 380.326 2.571 0 40 GFAB C[C@]1(C(=O)N2CCOC3(CCN(C(=O)[C@H]4C[C@@H]4C(F)F)CC3)C2)CC=CCC1 1615612452 YPMAXOBGIHVWFD-FTRWYGJKSA-N 396.478 2.854 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 90610626 GVQAGCCSUQRFTA-LJQANCHMSA-N 381.407 2.625 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575609063 YAZOOEQORYIQRB-HNNXBMFYSA-N 382.869 2.947 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CCCc3ccccc32)CC1 48793650 BJSRHAAFXJDDRQ-KRWDZBQOSA-N 393.553 2.610 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12182417 SNIKINPWQAKMLL-BBRMVZONSA-N 379.464 2.617 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 14153912 JOZJPVHRIOVDET-MRXNPFEDSA-N 390.505 2.783 0 40 GFAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)N4CCC[C@H](O)C4)CCOCC3)C2)cc1 19208865 DUJNTFQAEBPLGY-RBUKOAKNSA-N 386.492 2.658 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2cc(C(C)C)no2)C3)CC1 19452972 NZMMBVDQRVLNNT-UHFFFAOYSA-N 397.479 2.512 0 40 GFAB Cc1c(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3cccs3)o2)cnn1C 19553941 HYXHRNNXNXTJHX-LBPRGKRZSA-N 393.494 2.756 0 40 GFAB CCn1cc(-c2cc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)no2)cn1 19665124 ZTKTVPSHPVSTED-UHFFFAOYSA-N 378.392 2.880 0 40 GFAB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)(C)O)C2 166641571 HXFDWGKUUFPMRG-VWUQPSBSSA-N 397.515 2.686 0 40 GFAB biogenic,in-vitro O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cc(COc2ccc(F)cc2)on1 19714665 OJIDEGNZAZHDRP-UHFFFAOYSA-N 380.339 2.825 0 40 GFAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccco2)NC(=O)N[C@@H]1c1ccccc1 5113175 CLYNCIIGTFTFRI-GNISGLHKSA-N 396.399 2.707 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(-c3ccnn3C)o2)cc1Cl 1888931019 AIHYRJZWNFTWBM-UHFFFAOYSA-N 381.841 2.821 0 40 GFAB Cc1nnc2ccc(N3CCC(COc4cc(C5CCC5)ncn4)CC3)nn12 1565523337 LMCDHYKGZOAPKY-UHFFFAOYSA-N 379.468 2.786 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1c1ccc(F)cc1 9036461 XUJPFKPMLNGSBK-GFCCVEGCSA-N 382.844 2.811 0 40 GFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)/C=C\c3ccccc3)cc12 16945032 HOYDLZVJYXTYKT-FLIBITNWSA-N 378.428 2.917 0 40 GFAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)n([C@@H]2CCS(=O)(=O)C2)n1 17011562 IKJLRMBZHYBJKP-QGZVFWFLSA-N 399.472 2.722 0 40 GFAB COc1cccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1OC 1775965922 KOGXYSOEBNSZNZ-UHFFFAOYSA-N 383.448 2.615 0 40 GFAB COCCCn1c(C(=O)N[C@@H]2CCCC[C@@H]2C)cc2c(=O)n3ccccc3nc21 33550937 UIICERZORLVKOM-DOTOQJQBSA-N 396.491 2.994 0 40 GFAB CSc1ccccc1CN1CCC(CNS(=O)(=O)c2cccnc2)CC1 43959452 BPBLKJXEMKABSY-UHFFFAOYSA-N 391.562 2.994 0 40 GFAB Cn1ccc(C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 575615458 GBXMCFDMIKJNRK-UHFFFAOYSA-N 389.399 2.887 0 40 GFAB CCc1cccc(N2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)c1 40058232 FHYUNLJNPAKWRJ-GOSISDBHSA-N 396.487 2.978 0 40 GFAB COc1ccccc1-c1cc(C(=O)NCc2cccnc2-n2cccn2)no1 40088992 BBPXFDAVZFJQDM-UHFFFAOYSA-N 375.388 2.861 0 40 GFAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1C1CCCCC1 101276404 NOSACQOJUBBLDO-HIFRSBDPSA-N 377.238 2.870 0 40 GFAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccccc1 32842889 QXKCJBNHQQUMHV-KBXCAEBGSA-N 385.489 2.627 0 40 GFAB COc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 32902910 RSVZQKGMYIFGBW-OAQYLSRUSA-N 378.472 2.814 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Oc3ccc(S(C)(=O)=O)cc3)ccc21 53224934 PDRBOBFOBQDAHR-CYBMUJFWSA-N 387.457 2.649 0 40 GFAB Cc1c(C(N)=O)sc(NC(=O)c2ccc3c(c2)OCO3)c1C(=O)OC(C)C 680056 LMEAJMJMYPNHIH-UHFFFAOYSA-N 390.417 2.702 0 40 GFAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(C)cc2)cc1 1346499 VEKCFDSAHSWWFB-UHFFFAOYSA-N 396.472 2.818 0 40 GFAB CCOC(=O)NCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 3116673 GCBOXIXCUDAPFZ-UHFFFAOYSA-N 380.798 2.622 0 40 GFAB CC(=O)O[C@@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4029795 BNYMWYFDNNGEAG-TZNCUMHOSA-N 382.453 2.795 0 40 GFAB COc1cccc(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)c1OC 4904373 NQPNCJZBQXXSSB-HXUWFJFHSA-N 395.459 2.546 0 40 GFAB COc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 6228392 DQWOHMMQTPLVCC-UHFFFAOYSA-N 384.505 2.574 0 40 GFAB CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 6843299 IANHCSVRYBFUNS-UHFFFAOYSA-N 380.897 2.887 0 40 GFAB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)O 6960972 HJTJVOJMVDNQKK-KEBDBYFISA-N 376.796 2.966 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N3CCc4ccccc4C3)C(=O)[C@@H]2C)cc1 7007667 IDJYPUBZBXJIRR-INIZCTEOSA-N 377.444 2.737 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)N1C[C@@H]2CCC[C@@H](C1)C2N1CCOCC1 100214180 NXXUDMOADSIQBA-IRXDYDNUSA-N 398.956 2.603 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnn(-c2ccccc2)n1 57499627 WMXOGEBPJPVMEQ-UHFFFAOYSA-N 385.374 2.646 0 40 GFAB CCOc1ccc(C(=O)OCC(=O)N[C@H]2CCOc3ccccc32)cc1OC 27565360 YUDJHCAYVNJDTI-INIZCTEOSA-N 385.416 2.891 0 40 GFAB C[C@H](OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)C12CC3CC(CC(C3)C1)C2 9883960 BFYDXDCBJXAKBM-NQIAZWDDSA-N 399.487 2.655 0 40 GFAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 36385865 FWFCZAXKISJVRM-ROUUACIJSA-N 394.475 2.828 0 40 GFAB Cc1nn(C)c2ncc(C(=O)NC3CCN(C(=O)Nc4ccccc4)CC3)cc12 45776565 MNJRWECAXCRFPV-UHFFFAOYSA-N 392.463 2.703 0 40 GFAB COCCc1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 100763660 CCFYUFOTUDPNGM-RTBURBONSA-N 383.492 2.689 0 40 GFAB Cc1nn([C@@H](C)C(=O)N[C@@H](Cn2cccn2)C(C)(C)C)cc1Br 2780760 SMHUGPANYKHYSI-JSGCOSHPSA-N 382.306 2.943 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 12852677 SIKNLDBVTMSBDZ-UHFFFAOYSA-N 392.415 2.533 0 40 GFAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12821711 XTKDRRLVDVGQBE-SNAWJCMRSA-N 396.921 2.948 0 40 GFAB CN(Cc1ccsc1)C(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 12818501 GAQJGEGQPKDIDT-UHFFFAOYSA-N 385.533 2.735 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)NCCOc2cccc3c2OC(C)(C)C3)c1C 24450483 YKPATCPDKKJGGC-UHFFFAOYSA-N 386.448 2.940 0 40 GFAB C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(F)cc1 12890986 NZMZBQPVRUCPMV-YEJXKQKISA-N 381.407 2.612 0 40 GFAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 3455964 WWXVNSNPPWTDJF-AWEZNQCLSA-N 387.457 2.615 0 40 GFAB CCC(CC)[C@H](CNC(=O)CCc1cc(OC)cc(OC)c1)N1CCOCC1 13010736 GZILDNZALHBSNL-NRFANRHFSA-N 392.540 2.890 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 13001599 ZIAJTZCVHDTKPB-UHFFFAOYSA-N 396.852 2.629 0 40 GFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 49126362 YQXDKAOJHVCGJV-QFBILLFUSA-N 393.487 2.884 0 40 GFAB COc1cc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc(OC)c1 4046844 TVNJFFDTDFVUJX-PXNSSMCTSA-N 396.399 2.503 0 40 GFAB biogenic Cc1c(CC(=O)NCCN(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 9340700 GXWFAGTYEOVONB-UHFFFAOYSA-N 382.460 2.947 0 40 GFAB COc1cc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc(OC)c1 6223874 KYSYROIXKUTEFN-UHFFFAOYSA-N 376.360 2.582 0 40 GFAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CCC1 77262531 SQCIGRLJHPPUDW-CMKODMSKSA-N 388.439 2.848 0 40 GFAB biogenic,in-vitro Cc1cc(OCC(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)ccc1Cl 14244868 CLVGSPIIVDSZGD-GOSISDBHSA-N 388.851 2.910 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 6650369 RDMLQTVECSAQMH-NTEUORMPSA-N 393.417 2.530 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1 14711792 ILQIZVFTJYQPQX-OAHLLOKOSA-N 395.459 2.921 0 40 GFAB COc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)cc(Cl)c1OC 4799614 XALSZWALYOANEE-UHFFFAOYSA-N 380.809 2.784 0 40 GFAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 6784492 WXDUADCLFGBJTM-OAHLLOKOSA-N 376.478 2.960 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCCC1=CCCCC1 7425925 DOOSYUZNNVMVAS-UHFFFAOYSA-N 377.448 2.589 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3c(C)cccc3C)c(=O)c12 7552856 JHRWXGSAGQXUOD-UHFFFAOYSA-N 383.404 2.730 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)CCc1nc2ccccc2s1 7789623 TWJNCYVYXFYEOF-UHFFFAOYSA-N 389.458 2.571 0 40 GFAB CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CC[C@@H](C)C2 19902485 IDQGBMNAMAIMHE-CYBMUJFWSA-N 380.510 2.710 0 40 GFAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 8373801 QSDUEVAZAQQYTH-LJQANCHMSA-N 378.428 2.996 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C)o3)CC2)cc1 8507390 WXMVDPKJFZNKER-UHFFFAOYSA-N 390.505 2.956 0 40 GFAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(F)c(Cl)c1 9067000 TVEAXEDGWFEFTP-UHFFFAOYSA-N 390.802 2.976 0 40 GFAB CN(C)CCCOC1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 72313224 VZEYYRQIMCCNRG-UHFFFAOYSA-N 392.525 2.690 0 40 GFAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(OC)c(OC)c1)cn2C 22237452 ACVHHPSQUKKJSH-UHFFFAOYSA-N 396.443 2.884 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)c(Cl)c3)C2=O)cc1 409017721 GUEKTPXNANCQPN-OQLLNIDSSA-N 385.807 2.885 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCc3ccccn3)cc12 36740443 OHYQANBXFPKRJA-UHFFFAOYSA-N 377.423 2.889 0 40 GFAB Fc1ccc(CN2C[C@@H]3Cc4cnc(NCCN5CCCC5)nc4[C@H]3C2)cc1 306130605 JKUMCOQTDNWRFT-ICSRJNTNSA-N 381.499 2.895 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 408997758 HQWMJRADISWJTF-WMZOPIPTSA-N 384.432 2.714 0 40 GFAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3Cl)no2)c1=O 38652682 YCTVOHHOZBZPCM-UHFFFAOYSA-N 382.807 2.935 0 40 GFAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 33806851 YVYANLSPUYODTC-UHFFFAOYSA-N 376.294 2.874 0 40 GFAB Cc1cc(N2CCCCC2)nc(NCCNC(=O)Cc2noc3ccccc23)n1 38670720 UJQZBVZNUYKRTF-UHFFFAOYSA-N 394.479 2.687 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc(OC)c1OC 32859686 ANCHCGAJHRXQCB-HSBSLETESA-N 377.437 2.527 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCOc3ccccc32)c(C)c1 226037628 IZFJMXICMXVNRZ-UHFFFAOYSA-N 388.489 2.658 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225678252 RWZXJNJIDMUPFK-CYBMUJFWSA-N 379.409 2.741 0 40 GFAB COc1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220329670 BMHNRUYRIQFEMN-CQSZACIVSA-N 392.477 2.805 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1 223826787 NBKNUVZIIMKWLP-GOSISDBHSA-N 376.478 2.556 0 40 GFAB Cc1ccccc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224641191 DBXFJTAGLPOVJU-UHFFFAOYSA-N 390.505 2.736 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237923 MHBSCRYYALDHNV-FQEVSTJZSA-N 387.480 2.759 0 40 GFAB Cc1noc(C)c1-c1cc(CC[C@H]2CN(C(=O)c3cscn3)CCO2)ncn1 257199876 ABCQNNGACZFHDH-HNNXBMFYSA-N 399.476 2.679 0 40 GFAB CNC(=O)[C@@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1 257318517 VOGWHOQVVGCELN-QFIPXVFZSA-N 389.459 2.901 0 40 GFAB C[C@@H](C(=O)O)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O 299817188 KORXLQCISNSYKQ-WBMJQRKESA-N 387.436 2.520 0 40 GFAB in-vitro CCc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 575421327 OOCOGFWVAOZTJK-KRWDZBQOSA-N 379.503 2.631 0 40 GFAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)c1ccc(F)cc1)C2 585261221 NVDDPGMBDIKINX-MQSCRBSSSA-N 395.478 2.849 0 40 GFAB OCCN1CCO[C@@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1 585262880 NVHIERZAZZXTBJ-QGZVFWFLSA-N 392.381 2.781 0 40 GFAB Cc1cn2nc(C(=O)Nc3ccc4c(c3)OCCO4)cc2c(N2CCCC2)n1 169768626 LLHWUWOCYZLELS-UHFFFAOYSA-N 379.420 2.661 0 40 GFAB Brc1cnc(OC[C@@H]2CCCN(c3nccn4nccc34)C2)nc1 1775996292 RAASORNPYMNAOU-GFCCVEGCSA-N 389.257 2.577 0 40 GFAB Cn1cc(-c2nc(C(=O)Nc3cccc(CN4CCOC4=O)c3)cs2)cn1 45804643 NGNGBWZLIKZRTL-UHFFFAOYSA-N 383.433 2.748 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cc1ccon1 95998471 CBLPDRLBDAWVBQ-IBGZPJMESA-N 380.448 2.679 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1615852333 BSANTGKYMJYCDU-MRXNPFEDSA-N 392.452 2.665 0 40 GFAB CN(C)[C@@H](CNC(=O)CSc1n[nH]c2nc3ccccc3n12)c1ccccc1 5893496 RTYDLVPMTVYVKR-KRWDZBQOSA-N 394.504 2.722 0 40 GFAB CC(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 11596918 FYQXMGZJRGTTNF-UHFFFAOYSA-N 380.473 2.905 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)ccc21 12754621 UDXYYVMGBKWBTM-UHFFFAOYSA-N 377.444 2.904 0 40 GFAB CCc1nn(CC(=O)Nc2ccc(OC)cc2OC)c(=S)n1-n1cccc1 16807048 NPHVQORRZLRKEQ-UHFFFAOYSA-N 387.465 2.745 0 40 GFAB COc1cccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 19018401 KYVUJIKHMRNMBX-GOSISDBHSA-N 380.492 2.769 0 40 GFAB CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](C)Cn2cnc3ccccc32)n1C 19457730 WSSCCLNEPJXLDW-BBRMVZONSA-N 384.509 2.887 0 40 GFAB C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2cccc(-c3nncn3C)c2)C1=O 19462066 XZZCOOAIFUGENU-KGLIPLIRSA-N 391.431 2.623 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529791 RJLMGMCXBGHCTN-DLRJPAPCSA-N 398.484 2.828 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)c3csc(C)c3)C2)c2cccnc21 19571646 QEVBOGRMMDUQLS-HNNXBMFYSA-N 397.504 2.567 0 40 GFAB Cc1cccc(OC2CCN(C(=O)c3ccc(-n4nnnc4C)cc3)CC2)c1 19660832 TXENPKICLVKAPF-UHFFFAOYSA-N 377.448 2.963 0 40 GFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 19759235 LLIINSHSOWDTAX-LJQANCHMSA-N 395.507 2.793 0 40 GFAB Cc1ccccc1NC(=O)CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2 10255251 PFXDCOUNOKBJKS-HNNXBMFYSA-N 399.516 2.950 0 40 GFAB COc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC[C@H]4CCCO4)C3)nn2)cc1 244947649 DUOONASBQCJNCJ-PKOBYXMFSA-N 396.491 2.664 0 40 GFAB CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)[C@H](C(=O)O)C(C)(C)C)cc2)C1 663108549 SUYIRYZLWUHBGE-IAGOWNOFSA-N 389.496 2.538 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)c1nc(Cl)ccc1Cl 12869697 DIVRFDOJLXLHSN-UHFFFAOYSA-N 383.187 2.510 0 40 GFAB CN(c1ncc(Cl)cn1)C1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1849174152 VEIINGRDXQYESF-UHFFFAOYSA-N 377.851 2.808 0 40 GFAB CSc1ncc(C)c(OCC2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 1888906676 JSZYRVYJLDDKMO-UHFFFAOYSA-N 399.524 2.787 0 40 GFAB Cc1cc(N2CCCC2)nc(N2CCN(c3nc4ccccc4nc3C)CC2)n1 1889205632 STRFQXPJYNXBME-UHFFFAOYSA-N 389.507 2.963 0 40 GFAB O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)NC[C@H]1CCCO1 4251313 FTNNKJOPJAVGDE-QGZVFWFLSA-N 395.488 2.717 0 40 GFAB COc1cccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)c1 4315875 WMLPIOKCWVHNKN-UHFFFAOYSA-N 396.472 2.932 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 8844928 CSQUTJLPGLNYMK-NRFANRHFSA-N 381.432 2.718 0 40 GFAB CCOc1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 9660893 BFUOLUDZSJQIQH-UHFFFAOYSA-N 381.407 2.878 0 40 GFAB Cc1csc(C(=O)N2CCC[C@]3(COCCN(c4nnc(C)o4)C3)C2)c1 2055816050 LCQRFFWIHGTKPS-SFHVURJKSA-N 376.482 2.507 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575614263 XXLKOIGOMNSODL-OAHLLOKOSA-N 385.848 2.642 0 40 GFAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 2106262 VTUBHADBCXCYLY-FYWNELHYSA-N 385.460 2.737 0 40 GFAB biogenic O=C(CSC(=S)N1CCOCC1)Nc1ccccc1OC(F)(F)F 215753161 UWHUKCWTLXWNEZ-UHFFFAOYSA-N 380.413 2.874 0 40 GFAB Cc1cccc(C)c1OCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O 40113692 WPXUCFRBFZTMTL-UHFFFAOYSA-N 385.489 2.887 0 40 GFAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 40151026 QEVAOEVLYGFDDV-AWEZNQCLSA-N 383.477 2.829 0 40 GFAB COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1ccccc1C 101001874 AIASZLVBSBJFLK-UHFFFAOYSA-N 397.456 2.986 0 40 GFAB O=C(COC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)NC1CCCCCC1 52388786 SXOHWEFWDHVGJG-INIZCTEOSA-N 376.453 2.657 0 40 GFAB Cc1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 32859794 RCWGQIVKVYATEK-MRXNPFEDSA-N 395.459 2.596 0 40 GFAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 32920682 MAOOVSMCFZFXQB-LHRNQBEKSA-N 395.425 2.530 0 40 GFAB CN(C)C(=O)[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)c2ccccc2O1 52771312 CLCYWBGMVVXQRG-HXUWFJFHSA-N 377.444 2.983 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 22356841 FVASYIIOFDLGBX-JXMROGBWSA-N 393.487 2.743 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 692073 FAAUHWHYSUZXRW-KRWDZBQOSA-N 381.451 2.836 0 40 GFAB O=C(NC[C@H](O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 53600702 YDSNGBVLCJNJRF-FQEVSTJZSA-N 391.471 2.976 0 40 GFAB Cc1nnnn1-c1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 71285593 VGEWMWATVHIIAS-UHFFFAOYSA-N 397.866 2.748 0 40 GFAB O=C(Cn1cc(-c2nc(-c3cccs3)no2)ccc1=O)NCc1ccccc1 77199956 NOVGDALXAWEXIF-UHFFFAOYSA-N 392.440 2.943 0 40 GFAB C[C@@H]1CN(CCCCNc2nc(N(C)C)cc(C(F)(F)F)n2)C[C@@H](C)O1 79063600 GCEORVPPHVCODK-CHWSQXEVSA-N 375.439 2.863 0 40 GFAB CCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccccn2)c2ccccc12 79111862 UKPAZANTSIGMDB-UHFFFAOYSA-N 385.445 2.551 0 40 GFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 12550579 GRQVJNUKLZTFMV-SFHVURJKSA-N 396.466 2.950 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1=O 25249507 NNXINGPKSLXKCI-INIZCTEOSA-N 396.443 2.826 0 40 GFAB COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NC[C@H]2CCCO2)cc1 4889891 MWEQCFWBMURFCJ-WBVHZDCISA-N 375.446 2.950 0 40 GFAB COc1ccc(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1OC 4904615 LARVBNPXXULYQC-OAQYLSRUSA-N 395.459 2.546 0 40 GFAB Cc1cn2c(=O)c(S(=O)(=O)NCCc3ccc(Cl)cc3)c(C)nc2s1 8589413 NEQLYLYZFQPVEF-UHFFFAOYSA-N 397.909 2.547 0 40 GFAB CC(C)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 12550310 DBEIIYPEGSUVTF-UHFFFAOYSA-N 386.521 2.815 0 40 GFAB CS(=O)(=O)N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 53316222 WVTKYQLDHFFKEU-UHFFFAOYSA-N 380.516 2.833 0 40 GFAB COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 24582137 CJHCGYZUCYCLGC-UHFFFAOYSA-N 396.896 2.585 0 40 GFAB Cc1noc(C)c1CC(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 12599444 FQSMLIABRPIHTN-IBGZPJMESA-N 383.448 2.641 0 40 GFAB Cc1ccc(CCC2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)cc1 58086508 TYXZRWBRCZSTKB-UHFFFAOYSA-N 399.578 2.547 0 40 GFAB COC(=O)[C@@](NNc1ccccc1C)(NC(=O)c1ccc(F)cc1)C(F)(F)F 2050372 XNAKXECUCKEXNC-KRWDZBQOSA-N 399.344 2.912 0 40 GFAB Cn1c(=O)n(CC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c2ccccc21 58323288 FZZSBKDVGQWCCH-UHFFFAOYSA-N 381.823 2.818 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccsc3)CC2)c1C 22373851 LBGSZCPLOZIODV-HNNXBMFYSA-N 389.521 2.869 0 40 GFAB CC(C)C[C@H](CCC(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)N1C[C@H](C)O[C@H](C)C1 84705852 AMVBREKNZILUQJ-FKSLSLAPSA-N 382.545 2.701 0 40 GFAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)n(C)n1 95998426 ZGTADGSRGXQIHI-IBGZPJMESA-N 379.464 2.745 0 40 GFAB CN1C(=O)[C@](O)(CC(=O)[C@@H]2CCc3ccccc3C2=O)c2cc(Cl)ccc21 2353605 JPARBIBNMJGEIY-BTYIYWSLSA-N 383.831 2.909 0 40 GFAB C[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 45498605 PHUVNWTUMLULDX-MRXNPFEDSA-N 393.487 2.513 0 40 GFAB Cn1nc(-c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2c1=O 2414331 DUJXPISNCINCQY-UHFFFAOYSA-N 377.444 2.992 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 29119098 BJWQMGXBECANMZ-UHFFFAOYSA-N 377.444 2.785 0 40 GFAB Cn1ccnc1[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1F 9115442 AFJLBFZRYQMGTD-MRXNPFEDSA-N 381.379 2.905 0 40 GFAB CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(C)=O)[C@@H]2C1=O 101096815 FMMIIWJTGVIPNO-FFCSKIIPSA-N 389.455 2.808 0 40 GFAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1 2640651 GWQJKEKGYZDGCP-UHFFFAOYSA-N 375.404 2.592 0 40 GFAB O=C(OC[C@H]1CCCCO1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84392522 MCZZCBBNBGMLJS-CYBMUJFWSA-N 382.463 2.670 0 40 GFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 47190175 YVLXYRLOAXWGLO-HOTGVXAUSA-N 398.525 2.779 0 40 GFAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C12CC3CC(CC(C3)C1)C2 48230145 RSTNJFYLAMJHRS-UHSVVUDUSA-N 380.510 2.865 0 40 GFAB CC(C)CN1CCC(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 96002528 YHYLGRFOGUHDKR-IBGZPJMESA-N 399.514 2.883 0 40 GFAB Cc1ccc(NC(=O)CN2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 13038822 OLVSCJUXIQJJDZ-KRWDZBQOSA-N 393.553 2.983 0 40 GFAB CN(C)C1(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCCCCC1 13013069 ONZJKJPXJAHUAY-UHFFFAOYSA-N 393.553 2.512 0 40 GFAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cccc4ccccc34)no2)cn1 96001803 USPNMTUNERWDAJ-SFHVURJKSA-N 389.415 2.837 0 40 GFAB O=C1N(Cc2ccccc2)C(O)=N[C@]1(Nc1ncc(Cl)cn1)C(F)(F)F 49547564 QNGRPGWRZDFKKV-AWEZNQCLSA-N 385.733 2.757 0 40 GFAB COc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)c4ccccc4Cl)n3n2)cc1 9330115 WVBALVWVSFIOIO-UHFFFAOYSA-N 395.806 2.999 0 40 GFAB OCCNc1nnnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 13692775 ROKPPOQRAHAQME-UHFFFAOYSA-N 384.509 2.908 0 40 GFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]4C2=O)no1 9306013 RDSAJCPALDIDSY-NVQRDWNXSA-N 385.807 2.562 0 40 GFAB COCCCNC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 6509769 BQOYBCZJWVZECF-UHFFFAOYSA-N 390.505 2.733 0 40 GFAB Cc1occc1C(=O)NC1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 66479899 UHDBLUOEPYUBDJ-AUUYWEPGSA-N 384.432 2.537 0 40 GFAB Cc1nnc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)s1 4814868 OKHUFLXLXUXUGP-SNVBAGLBSA-N 390.494 2.846 0 40 GFAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cnn(C)c2C)n2ncnc2N1 6922392 RVADAQSCFBZPPY-SFHVURJKSA-N 377.452 2.864 0 40 GFAB Cc1cc2nc(SCC(=O)N3CCCC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67237302 IZRWLMFSAQLPQX-UHFFFAOYSA-N 386.452 2.876 0 40 GFAB O=C1COc2ccc(C(=O)Cn3nnc4cc(Cl)c(Cl)cc43)cc2N1 95446956 ZDXYATXSBGBLAY-UHFFFAOYSA-N 377.187 2.952 0 40 GFAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2)C[C@H](C)O1 67929824 INRPRTPWYYAHFB-KBPBESRZSA-N 387.867 2.914 0 40 GFAB NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)Nc2ccc3c(c2)OCCO3)c1 68579069 JJDSCZDJOURSHS-QGZVFWFLSA-N 396.447 2.552 0 40 GFAB C[C@@H]1CN(CCCNC(=O)c2cnc3c(cnn3C3CCCC3)c2)C[C@@H](C)O1 70006674 YZMIMIXHELCFDH-HZPDHXFCSA-N 385.512 2.776 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2cc1OC 8723822 YRGYGBGRNNDSAA-UHFFFAOYSA-N 398.484 2.828 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1Cl 408554789 UKJSYWRYMSVUGK-ZDUSSCGKSA-N 396.896 2.640 0 40 GFAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN(C)[C@@H](C)c2ccc(O)cc2)n1 89600728 NGWVVMBQWQMTHZ-INIZCTEOSA-N 394.479 2.925 0 40 GFAB COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 409381724 NBBGADRILSWGJG-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB COc1ccc(CNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22385792 IWICMPYZUVAFAQ-UHFFFAOYSA-N 390.505 2.703 0 40 GFAB CCN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)ccc1OC 20014818 RNKIPMZWKLXLQV-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)c1 28249865 SAMFDTYJQCRGKU-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB O=S1(=O)CCN(CCc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C[C@H]21 306130763 JOUOESSZYOVJJW-FGZHOGPDSA-N 384.545 2.603 0 40 GFAB CC(C)(C)OC(=O)N[C@H](CSCCNC(=O)OCc1ccccc1)C(=O)O 34080257 WOISIWBKIILOSH-CQSZACIVSA-N 398.481 2.624 0 40 GFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cc[nH]n1 524735367 XRXWTUUUQIHKAK-IBGZPJMESA-N 387.399 2.553 0 40 GFAB Cc1cc(Nc2cc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)nc(C)n2)[nH]n1 72360854 SWRXHCVAZFDEFS-KRWDZBQOSA-N 397.527 2.608 0 40 GFAB CCOC(=O)CCn1nc(-c2cn(C)nc2C)c(Cl)c1-c1cn(C)nc1C 36611574 HOPXFIQQFGBDNX-UHFFFAOYSA-N 390.875 2.908 0 40 GFAB COC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccc(F)cc1 561640160 ILLIQTGAWPONSK-ZDUSSCGKSA-N 378.347 2.906 0 40 GFAB O=C(Cc1ccc(F)cc1F)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729478 YFSJADPVLRQDKB-UHFFFAOYSA-N 386.324 2.665 0 40 GFAB Cc1cc(C)nc(N2CCC(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)CC2)n1 96343843 NFDKTFHFPOGECM-WOJBJXKFSA-N 385.556 2.691 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 257280944 ONASZNBQHKPWNV-TZIWHRDSSA-N 383.448 2.692 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)C)C2)cc1C 260724295 YUVMIUQCLXGIAJ-INIZCTEOSA-N 396.553 2.957 0 40 GFAB COc1ccc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)cc1F 617163619 WUNCRWATPUOXBN-UHFFFAOYSA-N 378.425 2.622 0 40 GFAB O=C(O)c1cccc2c1CCN(C(=O)c1nc(N3CCCC3)ncc1Cl)C2 621578324 KJGNUWXMUFLEFC-UHFFFAOYSA-N 386.839 2.627 0 40 GFAB CCc1nc(NC(=O)CN2CC[C@H](C(=O)NCc3ccccc3)C2)sc1C 646056578 QWLDODRGTDCKAA-INIZCTEOSA-N 386.521 2.591 0 40 GFAB CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585172762 JYMUQQWBQXQDEW-OAQYLSRUSA-N 393.531 2.942 0 40 GFAB O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc(Cl)s2)C1 96378571 LXDWEBBOVYLOTB-UHFFFAOYSA-N 383.944 2.522 0 40 GFAB O=C(Cc1cccs1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156986 LLYVJOMCJHLFDI-HXUWFJFHSA-N 388.464 2.854 0 40 GFAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1C 11204277 OPUPNCUYEZIFKB-OAHLLOKOSA-N 387.421 2.665 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 11513292 SHYOOIPAECWUSK-OXJNMPFZSA-N 394.471 2.850 0 40 GFAB CC[C@@H](CN1CCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC 12239744 ZCKZZJBJEWEMAA-SFHVURJKSA-N 382.508 2.994 0 40 GFAB O=C(NCCCc1ccccc1)c1cc(Br)ccc1-n1cnnn1 12389069 KNZAJEBXHALKAH-UHFFFAOYSA-N 386.253 2.787 0 40 GFAB COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CCC2 14195041 DOHXTTZOCFGYSH-UHFFFAOYSA-N 399.516 2.784 0 40 GFAB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC)c2)c1 16687789 CQIYELZHIAQOCZ-UHFFFAOYSA-N 384.432 2.961 0 40 GFAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(CCOc2cccc(C)c2)C3)C1 19235200 YXHQXTQUDDXMFT-LJQANCHMSA-N 394.519 2.948 0 40 GFAB Cc1cc(C)nc(N2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)n1 19692603 AHJMWCYMRZDQJK-FQEVSTJZSA-N 389.459 2.832 0 40 GFAB CN(C)C(=O)c1ccc([C@@H]2CCCN(C(=O)c3ccc4nsnc4c3)C2)nc1 19705621 YXDQREATUBDEKM-OAHLLOKOSA-N 395.488 2.808 0 40 GFAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 19709294 VPOKULJJXWFTQU-INIZCTEOSA-N 379.464 2.532 0 40 GFAB O=S(=O)(Cc1cc(F)ccc1F)NCC1CCN([C@H]2CCSC2)CC1 225574273 QXUNITDLXFYMSV-INIZCTEOSA-N 390.521 2.602 0 40 GFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1 96299725 QDJPHNGEQDEMOF-CALCHBBNSA-N 376.478 2.541 0 40 GFAB COc1cccc(CN2CCc3nc(C(=O)N=c4cc[nH]cc4)sc3CC2)c1 1203819019 OAYUHKUZDJFLIV-UHFFFAOYSA-N 394.500 2.822 0 40 GFAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(O)cc1 10233942 SBTBGNOMQIOAFC-SFHVURJKSA-N 387.461 2.851 0 40 GFAB Cc1nc(N2CCN(c3ccc(Br)cc3)CC2)c2cnn(C)c2n1 853824431 GNEJTEALMOCOQR-UHFFFAOYSA-N 387.285 2.761 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)Nc1nnc(Cc2ccccc2)s1 32491438 XBSRRDDLLXRUSV-UHFFFAOYSA-N 391.456 2.868 0 40 GFAB O=C(N[C@H]1CCC[C@H](OCC(F)(F)F)C1)c1ccc(N2CCOCC2)nc1 32403915 VLRIECKIHCTGNI-GJZGRUSLSA-N 387.402 2.538 0 40 GFAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cc(OC)ccc1OC 994394 HEFZJOLZPDVFJQ-QGZVFWFLSA-N 390.461 2.917 0 40 GFAB C[C@@H](CCc1ccccc1)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C 54915537 PRDDCQIOERSEGF-HOCLYGCPSA-N 379.551 2.906 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)N2CCCC[C@H]2C)n1C 904633 OKVRACUXZZVENG-CQSZACIVSA-N 390.509 2.896 0 40 GFAB Cn1nc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1C(F)(F)F 2808855 UNLPALKWIGCFCR-UHFFFAOYSA-N 384.325 2.883 0 40 GFAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3593589 FTXJFORKFWQZKM-HXUWFJFHSA-N 399.834 2.948 0 40 GFAB COCCn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1 4161525 GTRABCJTSLVXEV-UHFFFAOYSA-N 378.479 2.655 0 40 GFAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1 25067309 XTXGWWIOIHSWAR-MLGOLLRUSA-N 388.295 2.852 0 40 GFAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)c(Cl)c1 55746118 RXDVUFCWXNLYIB-NSHDSACASA-N 389.814 2.750 0 40 GFAB COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 1418577 DGOLKAOWUMVYDF-SFHVURJKSA-N 389.415 2.992 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)cc1 7829122 WDJQYZYPSDECAL-UHFFFAOYSA-N 395.503 2.960 0 40 GFAB Cc1occc1CN(C)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 56252361 YAAIBQZFOKVOTM-DLBZAZTESA-N 376.453 2.528 0 40 GFAB CO[C@H](CNS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1C 101322448 LIHXQLJIMSHIEZ-MDYRTPRTSA-N 379.522 2.997 0 40 GFAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCCC3)c2=O)c(C)c1 57493128 OVHBRELMOVNBPE-UHFFFAOYSA-N 397.500 2.843 0 40 GFAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 44324708 FLWLWBVOXLUTQZ-SMDDNHRTSA-N 376.434 2.669 0 40 GFAB COC(=O)c1ccccc1S(=O)(=O)N1CC[C@H](c2ccc(OC)cc2)C1 58178233 JXJIKJRQPDTXMX-HNNXBMFYSA-N 375.446 2.660 0 40 GFAB CC[C@@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 2132791 UGDAZYNWOJHMFO-SUFBMKPHSA-N 375.421 2.573 0 40 GFAB biogenic CCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3OC)ccc2n1C 2342748 KNLKIZWBUXUROL-UHFFFAOYSA-N 380.448 2.903 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O)c1ccccc1 2343447 XTABEDWQHMHFRY-MRXNPFEDSA-N 381.285 2.775 0 40 GFAB CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnn2)c1 46716520 KAXNPTUQGNEEEA-UHFFFAOYSA-N 384.827 2.706 0 40 GFAB Cc1nn(C[C@@H](C)C(=O)Nc2ccc(O)c(C(=O)O)c2)c(C)c1Br 2794663 PRDQMRUUHBFAMD-MRVPVSSYSA-N 396.241 2.941 0 40 GFAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OCC(N)=O 72406420 IGEXHBIMDRJLFA-CQSZACIVSA-N 396.403 2.521 0 40 GFAB COc1ccc(CN(C)Cc2cc(=O)n3nc(C)sc3n2)cc1OC(F)F 48366914 QSCJYXOSHGULDN-UHFFFAOYSA-N 396.419 2.701 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCSc2ccccc2C(=O)O)cc1 12813886 RTWLLOIGPGVYLG-UHFFFAOYSA-N 381.475 2.806 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(F)cc1 3496691 BZSHCGMVLAQSCB-UHFFFAOYSA-N 387.440 2.609 0 40 GFAB COc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1OC 3402625 OCDBBXGJBOXHIZ-UHFFFAOYSA-N 379.796 2.918 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1OC 3499380 OWUDZLSKSNJCEU-UHFFFAOYSA-N 395.209 2.657 0 40 GFAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)no1 12916341 VUSXEWSJLNOBJA-LJQANCHMSA-N 394.431 2.714 0 40 GFAB CC[C@H](C)c1ccccc1OCC(=O)NC1CCN(S(=O)(=O)CC)CC1 13001612 UVSKCTWYGHMYAE-HNNXBMFYSA-N 382.526 2.509 0 40 GFAB CC(C)(C)NC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 5043607 CXINWPISYCQAQY-UHFFFAOYSA-N 377.224 2.540 0 40 GFAB Cc1coc2cc3oc(=O)c(CCC(=O)N(C)CC(=O)N(C)C)c(C)c3cc12 13729178 PLNLCXYTGQYICA-UHFFFAOYSA-N 384.432 2.635 0 40 GFAB O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 14099381 TXTAPWVJKNMJTR-UHFFFAOYSA-N 384.807 2.650 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc2n1CCCCC2 6648064 JEPJSRVVHWTMBE-CYBMUJFWSA-N 385.493 2.861 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1 4857893 NCZMFFATYGCSAP-UHFFFAOYSA-N 393.896 2.809 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)N2CCc3ccccc32)cc(OC)c1OC 4822507 JMIVBOXKAGNNHK-CMDGGOBGSA-N 397.427 2.858 0 40 GFAB Cc1nc2n(c1CN1CCN(CC(=O)N[C@H](C)c3ccccc3)CC1)CCCC2 95466674 UVMGOKMXZXSANU-GOSISDBHSA-N 395.551 2.523 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn(C)c2ccccc2c1=O 22234251 GWLXWTLLNJCYJR-UHFFFAOYSA-N 396.399 2.595 0 40 GFAB CC(=O)Nc1ccc(OC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 15604945 FQRDKIBERNRFLO-UHFFFAOYSA-N 381.363 2.858 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)c(F)c1 25129861 WFEXZYLNFMLIGR-UHFFFAOYSA-N 383.420 2.533 0 40 GFAB CCCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230926 OJWPYVRYCQFZFI-UHFFFAOYSA-N 376.478 2.558 0 40 GFAB O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1CC(=O)N(CC2CC2)C1 95957430 HCGCTCLGVFHSMW-HNNXBMFYSA-N 396.447 2.723 0 40 GFAB NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1cc(Cl)sc1Cl 71822076 CMIRFRJJNDKJNR-VIFPVBQESA-N 386.260 2.650 0 40 GFAB CCn1nnnc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 8156691 IVCDWPNSOKMWMA-ZDUSSCGKSA-N 379.873 2.660 0 40 GFAB CCCCOc1ccccc1/C=c1/sc2nc(-c3ccncc3)nn2c1=O 16729014 UAMOJYHHQHAWSN-GHRIWEEISA-N 378.457 2.940 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1C 408601022 DPYBCBBTZOILDN-UHFFFAOYSA-N 396.896 2.503 0 40 GFAB COCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9668387 IWSMTQWWTFTWQW-VLIAUNLRSA-N 377.444 2.864 0 40 GFAB CC(C)c1ccc(CCNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 18011324 TYOXRJYRDLNWCE-HNNXBMFYSA-N 399.516 2.596 0 40 GFAB CCN(CC)CCNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 9892503 MVLYUNHKILLAAM-UHFFFAOYSA-N 383.492 2.826 0 40 GFAB COc1cccc(-c2nc(C(=O)N3CCC[C@H](c4n[nH]c(C)n4)C3)c(C)[nH]2)c1 95975112 DBDKPCWPDCPMOD-HNNXBMFYSA-N 380.452 2.840 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cnn(Cc2cccc(Cl)c2)c1 28236219 QNFMYRGUBBAPPG-UHFFFAOYSA-N 393.838 2.742 0 40 GFAB O=C(NCc1ccco1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 65251117 GTJYULTUSJXCOE-UHFFFAOYSA-N 376.376 2.718 0 40 GFAB Cc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@H]3C2)n1 306138726 SFUASXMBNIUGOK-IRXDYDNUSA-N 388.475 2.538 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)NCc3ccc(F)cc3)n2)cc1 56907162 IKDPRAURXKUJOP-UHFFFAOYSA-N 386.383 2.796 0 40 GFAB COc1cc([C@H]2C3=CNNC3=Nc3c2c(=O)oc2ccccc32)cc2c1OCO2 524731959 QQHYGJAFQJHJQL-INIZCTEOSA-N 389.367 2.698 0 40 GFAB biogenic O=C1CCCN1CCOc1ccccc1CN1CCN(C2CCCCC2)C(=O)C1 36752984 PQGZJYURSPMYKS-UHFFFAOYSA-N 399.535 2.665 0 40 GFAB CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 541741972 NZUIHBURBRRATQ-UHFFFAOYSA-N 377.510 2.576 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)cc1 70849052 YBZNNOCNRSGJBS-UHFFFAOYSA-N 391.430 2.644 0 40 GFAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217477404 OOCQIXNTEGDLIA-AWEZNQCLSA-N 392.477 2.873 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1 224344269 LRGXGBMODATWGB-UHFFFAOYSA-N 377.462 2.588 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 223330362 LNVUYCOYHIQZNC-UHFFFAOYSA-N 381.797 2.534 0 40 GFAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 222915178 YRNUIARIUUEASB-QGZVFWFLSA-N 396.487 2.596 0 40 GFAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2)C1CC1 77191956 UXLJGVNRVNTEGI-UHFFFAOYSA-N 384.417 2.938 0 40 GFAB Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O 223680440 AXJYCJPBJRQKPM-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB COc1ccc(-c2ncnc3c2c(C(=O)NCCN(C)C)c2ccccn23)cc1 96264353 QUYYWBDZDCBDHS-UHFFFAOYSA-N 389.459 2.850 0 40 GFAB CC(C)Nc1nc2c(c(NC3CC3)n1)CN(C(=O)NCc1cccnc1)CC2 96254174 YFSRVYABDZXUOG-UHFFFAOYSA-N 381.484 2.534 0 40 GFAB COc1ccccc1Cn1cnc2cc(C(=O)N3CC[C@](F)(CO)C3)ccc21 614557831 JFSKTTLAVKDSID-OAQYLSRUSA-N 383.423 2.640 0 40 GFAB O=C(NCc1cc(O)nc(C2CCC2)n1)c1nc(C(F)(F)F)n2c1CCCC2 636322608 GHJXZGMEEXWFCG-UHFFFAOYSA-N 395.385 2.931 0 40 GFAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](N2CC[C@@H](O)C2)C1 647707246 ZMDLUCNUWRBXPU-QWHCGFSZSA-N 397.953 2.735 0 40 GFAB CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](Cc1ccccc1)c1ncco1)CC2 654452414 OTMDUHDRNXVBBI-IAGOWNOFSA-N 394.479 2.988 0 40 GFAB Cn1cc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c(C(F)(F)F)n1 680844232 AHJKBVFJXXGQPW-CYBMUJFWSA-N 381.358 2.534 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)NCC[C@H](O)c2cc3ccccc3o2)c1 96097295 QWBUVCASWVTSHX-HNNXBMFYSA-N 391.445 2.852 0 40 GFAB CCOCCOc1ccc(CN(C)C[C@]2(O)CCN(c3ccccn3)C2)cc1 585270180 HUKZRHOWUQCKSQ-JOCHJYFZSA-N 385.508 2.570 0 40 GFAB CCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72392988 QXPPRCXQTMPMKM-KRWDZBQOSA-N 376.464 2.564 0 40 GFAB CO[C@](C)(CO)CNC(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1 667600393 UXELHQRCHXPODS-AWEZNQCLSA-N 390.387 2.743 0 40 GFAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCCn1cccn1 1548349553 NVTFFWGEFDAXKW-UHFFFAOYSA-N 380.492 2.996 0 40 GFAB NC(=O)c1nc(-c2ccc(F)cc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 5151562 GGMPMIPFRKKYCA-UHFFFAOYSA-N 383.770 2.667 0 40 GFAB NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 12865682 NDHIZDCSYDRCQG-SNVBAGLBSA-N 375.787 2.570 0 40 GFAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)Cc2cccc(F)c2)CC1 19289053 DYKRHGWGKDRIRZ-UHFFFAOYSA-N 393.466 2.508 0 40 GFAB CCN1CCN([C@@H](c2ccccc2OC)c2nnnn2C2CCCCC2)CC1 19528097 RRUIPYYTQTVLSY-FQEVSTJZSA-N 384.528 2.914 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1 19588944 QQRRKQKQFMZHDD-IBGZPJMESA-N 396.491 2.849 0 40 GFAB CCN(C(=O)Cn1c(CN2CCCCC2)nc2ccccc21)C1CCN(C)CC1 19663338 ZITZYXURRSCZSA-UHFFFAOYSA-N 397.567 2.965 0 40 GFAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)C1CN(C(=O)C2CCN(C)CC2)C1 19747572 FCGJXTXTYDQQTK-LJQANCHMSA-N 375.488 2.535 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)N(C)C1=S 8333753 HBGQDGHESHGCML-DHDCSXOGSA-N 376.478 2.700 0 40 GFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2F)n1 12160920 BDMLXSBTUDSXAY-HTZLVSCSSA-N 389.446 2.778 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3C(=O)C2=Cc3ccccc3OC2)Nc2ccccc21 257243669 IIADNFHZOAMIOD-AYPBNUJASA-N 387.439 2.778 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 6566635 NWEAOXDUIUJLIK-QFIPXVFZSA-N 377.444 2.519 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(CCc4ccccc4)CC3)nc(C)n2)n1 1889197011 PLQKYCPFNMOXNW-UHFFFAOYSA-N 376.508 2.952 0 40 GFAB COc1ccc(CC(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 2037840230 JTORHHSCZWOFBU-UHFFFAOYSA-N 394.471 2.662 0 40 GFAB Cc1n[nH]c(C)c1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988908 NFWVDMPCHXDDOY-NRFANRHFSA-N 386.471 2.954 0 40 GFAB O=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1cc(F)ccc1F 5150784 ATQZNQJQIURDIJ-UHFFFAOYSA-N 387.371 2.870 0 40 GFAB CS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 10252835 BHCULLSZOVOYMD-UHFFFAOYSA-N 390.442 2.610 0 40 GFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(Cl)ccc(Cl)c2s1 16974949 OUXVHYHUPGODPH-VIFPVBQESA-N 394.305 2.966 0 40 GFAB CCOC(=O)C1CCN([C@H](c2ccccn2)c2c(O)cc(C)n(CC)c2=O)CC1 22697388 JIHIULDGLSEAHY-HXUWFJFHSA-N 399.491 2.642 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc(C3CC3)nn2)CC1 575618654 FGWCZBNJHRBWQI-UHFFFAOYSA-N 384.914 2.580 0 40 GFAB O=C(Cc1cccnc1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575618242 UOBVUAZYYLKDHR-KRWDZBQOSA-N 378.881 2.666 0 40 GFAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1 585389945 ZDSWFIOSOUZAHA-SNVBAGLBSA-N 390.328 2.812 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@](O)(c1cccs1)C1CC1 77099528 MBZJBCGIPRTLAH-MRXNPFEDSA-N 387.910 2.986 0 40 GFAB Cc1nc(CN2CCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)cs1 40115518 ZIYKCTBROKVQAG-UHFFFAOYSA-N 381.505 2.654 0 40 GFAB CC[C@]1(C)Cc2c(sc3nc(SCCN4CCOCC4)nc(N)c23)CO1 20547925 NNWSSICQTDRHBP-GOSISDBHSA-N 394.566 2.939 0 40 GFAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC(=O)NCc1ccco1 32879750 DKOSDEBQNJFNFE-UHFFFAOYSA-N 387.823 2.953 0 40 GFAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1 22692863 RYWJUQIECXXSMT-INIZCTEOSA-N 387.505 2.676 0 40 GFAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1 23107883 ITBUPOHAASBGTR-OAHLLOKOSA-N 386.926 2.753 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3nc(-c4ccc[nH]4)cs3)c(C)c12 47443476 RUOSKSIOZNNONQ-UHFFFAOYSA-N 396.476 2.901 0 40 GFAB Cc1ccc(CC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 47533465 JQRRZMJNSUAJCK-UHFFFAOYSA-N 375.513 2.597 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 1088062 IIYSHQJDIJQHLK-HOTGVXAUSA-N 382.482 2.547 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCC[C@@H](C(=O)N2CCCCC2)C1 1249699 HIVCGWZQCHWOGQ-MRXNPFEDSA-N 376.497 2.937 0 40 GFAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nc(-c3ccco3)nc3ccccc23)C1 24879442 WLXFNFMOAJFUIZ-CYBMUJFWSA-N 396.472 2.706 0 40 GFAB CC(C)CNC(=O)c1ccccc1C(=O)NC1(C(=O)NCC(C)C)CCCC1 4896130 IQOYLFWSGDWSCK-UHFFFAOYSA-N 387.524 2.887 0 40 GFAB CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4899992 HOKIFLYHNPKFGY-ZMRAYBQVSA-N 384.384 2.746 0 40 GFAB Cc1nnc(SCC(=O)NC(=O)NC2CCCCC2)n1Cc1ccccc1 6531787 SKHQHVNRLYYBSK-UHFFFAOYSA-N 387.509 2.885 0 40 GFAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(C(C)C)cc2)s1 6817847 QBVOTPIOPJHTQM-UHFFFAOYSA-N 382.511 2.944 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccc(OC)c(OC)c1 35170114 DJLDNRSVAOHKQQ-IBGZPJMESA-N 383.404 2.879 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 8087597 HSPBKNOQGYUACA-KRWDZBQOSA-N 388.445 2.614 0 40 GFAB CS(=O)(=O)NC1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 57341238 NXDUECRTFVTOSK-UHFFFAOYSA-N 377.466 2.896 0 40 GFAB COC(=O)/C=C/c1ccc(OC(=O)c2cn(C)nc2-c2cccnc2)c(OC)c1 58167121 VAWVOHHYQLFEEV-VQHVLOKHSA-N 393.399 2.896 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 58161289 STCMQSNIKJBFMS-KRWDZBQOSA-N 395.503 2.725 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O[C@@H]3CCCCC3=O)cc2)C1 10697824 WVLXQYVLORCYKQ-RDTXWAMCSA-N 379.478 2.776 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1C 51316839 MKIGGSDRAGIPAG-UHFFFAOYSA-N 379.445 2.875 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCCCOc2ccc(Cl)cc2)c1 11085251 OUKFNZCOCNWNDF-UHFFFAOYSA-N 396.896 2.837 0 40 GFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)c1 2415011 MSARKUSWJFQANS-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccccc2F)NC(=O)N3)cc1 11665691 JMZBHXLIIDGABD-IBGZPJMESA-N 381.407 2.527 0 40 GFAB COC(=O)c1ccc(COC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)o1 102788202 BPMOBKSTRQZTKZ-NILVNCKXSA-N 375.421 2.585 0 40 GFAB O=C(CN1CCSC1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11765620 CVKCAVQSBYQQHG-UHFFFAOYSA-N 388.518 2.809 0 40 GFAB Cc1cc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)on1 29831005 BSLUAFOSJYCSAD-UHFFFAOYSA-N 387.827 2.644 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)CCCc3nc(C(C)C)no3)CC2)no1 46765097 MELTXNNILXCGNG-UHFFFAOYSA-N 389.456 2.689 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2NS(C)(=O)=O)c1 57997631 LQYWWUNRRUNCPO-LBPRGKRZSA-N 378.450 2.566 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3)o2)C1 3287799 NSLJJUDOGOZOLF-CQSZACIVSA-N 375.450 2.630 0 40 GFAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O[C@H](C)C(N)=O)c1 3454791 KZQRTWUBHTVTOA-GFCCVEGCSA-N 383.379 2.718 0 40 GFAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(CC)cc1 3428697 DTQPZWNXUJSDBC-UHFFFAOYSA-N 384.432 2.559 0 40 GFAB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC(N)=O)cc1 3511929 RJCOACJQTHQJPT-NVNXTCNLSA-N 395.440 2.686 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1 12927092 JRVUNZJXPPSBEI-UHFFFAOYSA-N 390.505 2.810 0 40 GFAB CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O 22540813 CZVFCCWGWYEJKA-AWEZNQCLSA-N 394.468 2.868 0 40 GFAB Cc1ccc(-c2noc(CN(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)n2)cc1 12976889 NVTQEARSMUROTB-INIZCTEOSA-N 387.461 2.827 0 40 GFAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)c(N2CCCC2=O)c1 9153935 QYQOVCUUQOONRB-UHFFFAOYSA-N 382.811 2.695 0 40 GFAB C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1cccnc1 9118791 INYZFROVDAYGNE-LBPRGKRZSA-N 376.254 2.841 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 9190938 YFUTXACWSMUBHQ-INIZCTEOSA-N 383.423 2.814 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)[C@H]2COc3ccccc3C2)cc1OC 13257268 WFVOYHYASFCENQ-HZPDHXFCSA-N 385.416 2.587 0 40 GFAB CCc1nnc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2)s1 5033736 ODMVMZSJVNRUMF-SNVBAGLBSA-N 375.483 2.504 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)c1 5346657 CVGLJUHKVYEALG-LJQANCHMSA-N 386.404 2.853 0 40 GFAB O=C(CSc1nnc(-c2ccncc2)[nH]1)Nc1ccc(Cl)c(C(=O)O)c1 4511392 GEQYCJQLTOVGCC-UHFFFAOYSA-N 389.824 2.949 0 40 GFAB COc1cc(C(=O)Nc2ccccc2[C@@H]2COC(=O)C2=N)cc(OC)c1OC 4649564 AHHNPNQCYBWTGL-ZDUSSCGKSA-N 384.388 2.625 0 40 GFAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 4704449 BTVNNTKOFAQVEV-UHFFFAOYSA-N 380.441 2.783 0 40 GFAB Cc1cc(=O)n2nc(COC(=O)CCC(=O)c3ccc(Cl)cc3)sc2n1 7333965 YJBFQAUBJPDFGI-UHFFFAOYSA-N 391.836 2.819 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3Cl)cc2)C1=O 15842892 HBWMZKKJEVNJIG-NSHDSACASA-N 378.837 2.905 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc(F)c2)C(=O)N3)cc1 20744397 GAJNPIVEJVYLHI-HNNXBMFYSA-N 381.367 2.615 0 40 GFAB CCC(CC)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996224 KUKMESXHAMRNFC-UHFFFAOYSA-N 399.491 2.975 0 40 GFAB O=C(CN1CCC(c2nnc3ccccn23)CC1)N1CCC[C@@H](C(F)(F)F)C1 95958654 IVJDEWVCULLARD-OAHLLOKOSA-N 395.429 2.710 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cc1cccc(F)c1 9722764 UOSJPLSAWUROBP-AWEZNQCLSA-N 383.423 2.591 0 40 GFAB O=C([C@H]1CCn2c(cnc2C2CCCCC2)C1)N1CCN(c2cccnn2)CC1 95993176 CDBTXCLFKJBFRV-SFHVURJKSA-N 394.523 2.632 0 40 GFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CO)C1)OCc1ccccc1 89840333 BXFKQKQFNQKQMT-RTWAWAEBSA-N 396.487 2.755 0 40 GFAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409391835 OURSTKKWPPAZCO-UHFFFAOYSA-N 388.489 2.732 0 40 GFAB COCCNC(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409132217 NMMKFYVHUXFJDD-UHFFFAOYSA-N 396.428 2.865 0 40 GFAB Cc1cccc(C(=O)N2CCCN(C(=O)c3nn(C)c4ccccc34)CC2)c1 527828321 MSUDIYVNSMTDNK-UHFFFAOYSA-N 376.460 2.870 0 40 GFAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 38756589 AMHKOHCYFMWOPS-UHFFFAOYSA-N 384.860 2.870 0 40 GFAB COC[C@@H](NC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1)c1ccc(C)o1 558891592 GJVFQFOURFEUJI-QGZVFWFLSA-N 391.443 2.955 0 40 GFAB O=C(Cn1cnnn1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396415 RAXLEFUDCSYRPC-INIZCTEOSA-N 387.447 2.623 0 40 GFAB CN1CC[C@@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 72391677 PXEMKAYINYRYOD-QGZVFWFLSA-N 384.528 2.722 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362681 LINPXGOHIHWGPV-INIZCTEOSA-N 380.448 2.597 0 40 GFAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(C(N)=O)cc1 32924155 ISXUDMNKYWUQPM-JTQLQIEISA-N 395.228 2.771 0 40 GFAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccs1 71980588 MRWRPPMAYMBVMJ-INIZCTEOSA-N 386.473 2.666 0 40 GFAB CN(C)c1nc(N)nc(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)n1 1569983144 QAXIMPJOOFTRGJ-LBPRGKRZSA-N 381.267 2.708 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2F)cc1 226044122 DHLANCIZWJXROL-UHFFFAOYSA-N 394.468 2.504 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1 224917610 SXJQHFQBZYGESW-LJQANCHMSA-N 390.505 2.898 0 40 GFAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222463853 YESZHSLJDRZHNR-INIZCTEOSA-N 390.505 2.897 0 40 GFAB Cc1ccc(N(C)C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1C 226062821 OLAVNGCVJJXFJC-UHFFFAOYSA-N 378.469 2.867 0 40 GFAB Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(-n2cnnn2)c1C 49545198 NHDBAYKYPIEIKK-UHFFFAOYSA-N 390.491 2.674 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccccc1F 225447219 QRCKQYIGVGHWQQ-UHFFFAOYSA-N 392.452 2.800 0 40 GFAB CCOc1ccccc1C[C@@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O 225163561 CYOZXBSDCQVVNE-INIZCTEOSA-N 381.425 2.686 0 40 GFAB COCC(=O)N1CCC(c2cc3c(ncn3C)c(-c3ccc(OC)cc3)n2)CC1 96099990 HTVJXDKXQSZNHF-UHFFFAOYSA-N 394.475 2.996 0 40 GFAB CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 578752949 XBFIYIPPGNSADB-AQNXPRMDSA-N 393.549 2.855 0 40 GFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 96227362 JQOXMEUSFHSOFP-SIKLNZKXSA-N 396.466 2.801 0 40 GFAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1c[nH]c2ccc(F)cc12 95473531 UASMJUCBIJUXSP-UHFFFAOYSA-N 396.397 2.823 0 40 GFAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N=c1cc2ccccn2[nH]1 585082456 WCIIUIDVTYRMJZ-LJQANCHMSA-N 376.460 2.694 0 40 GFAB O=C(c1cnccn1)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 257319634 VTJYGIQAXLKGQX-UHFFFAOYSA-N 389.463 2.890 0 40 GFAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(S(C)(=O)=O)CC3)CO[C@H]21 257260641 LDSJZACJQIYROU-DOTOQJQBSA-N 395.521 2.986 0 40 GFAB COc1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)ccc1OCC(N)=O 619328385 JVMMJQRNIHZLMG-FQEVSTJZSA-N 397.475 2.852 0 40 GFAB COc1cccc2c1CN(C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F)C2 626568764 RADHRQDPJBFTJA-UHFFFAOYSA-N 391.374 2.986 0 40 GFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H](N)[C@H](C)OCc3ccccc3)cn2)n1 638064883 PQJQCLFNGAIOHY-OXJNMPFZSA-N 379.464 2.755 0 40 GFAB O=C(CSc1ccc(F)cc1)N1CCCSC[C@H]1CN1CCOCC1 90609121 MSUPXKQKNRPKNK-MRXNPFEDSA-N 384.542 2.584 0 40 GFAB CN(C)C(=O)Cc1nc(CN2CCC[C@H](CN3CCCCCC3)C2)cs1 104959789 XMYQRLNOCURIAC-QGZVFWFLSA-N 378.586 2.862 0 40 GFAB CCOC(=O)C(=O)[C@@H](CCC(=O)c1ccc2ccccc2c1O)C(=O)OCC 5832881 RKHDSCFUZNLTJV-MRXNPFEDSA-N 386.400 2.820 0 40 GFAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCCc1nc(-c2ccccc2)no1 12198308 BUKIHZPVIQJFQY-YJYMSZOUSA-N 394.406 2.974 0 40 GFAB C/C=C/Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 12362788 KLMNVRVMDBOMTC-ONEGZZNKSA-N 376.869 2.945 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1C 16283049 CEZZPPIORQUNSW-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cccn1-c1ccncc1)C2 19402346 XLRNBDMJSIXTJG-UHFFFAOYSA-N 384.443 2.576 0 40 GFAB COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)c3cccnc3)C[C@H]1CC2 19571908 ARABHTWHRMGWEX-WBVHZDCISA-N 375.432 2.608 0 40 GFAB Cc1nccn1CCC1CCN(C(=O)COCc2nc3ccccc3[nH]2)CC1 19656386 VHANHCFNEMXYBK-UHFFFAOYSA-N 381.480 2.913 0 40 GFAB CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(OC)cc1)C(=O)C2 19739977 MXWZUXGPXCOKDI-SFHVURJKSA-N 394.475 2.956 0 40 GFAB COc1ccc([C@@H]2CN(C[C@H]3CCOC3)C[C@H]2c2cc(O)nc(C)n2)cc1OC 12163379 XLLHJVCZCCVWNR-BPQIPLTHSA-N 399.491 2.727 0 40 GFAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1nc(C)cs1 6639999 XEGQPMPEFLSHJX-CYBMUJFWSA-N 379.507 2.950 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@H]3C2)nn1C 1888897119 GAVHALJCPNGICQ-IAGOWNOFSA-N 392.507 2.868 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccoc1)N1CCSCC1 239612058 FITGSDKYHDCSLT-MRXNPFEDSA-N 396.534 2.665 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840646 PKTYCDLPNHORPS-HXUWFJFHSA-N 385.489 2.880 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037915905 ACJSQQLATRHFBO-FVJLSDCUSA-N 378.488 2.821 0 40 GFAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc2c(c1)OCO2 1565541685 MBOZSPVLBMMHBO-FQEVSTJZSA-N 391.427 2.704 0 40 GFAB Cn1c(=O)c2c(SCc3ccccc3)nc(-c3ccccc3)nc2n(C)c1=O 4139109 BQGRTEZNKUIPDY-UHFFFAOYSA-N 390.468 2.987 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940793 BDLSZUVSNSGFKV-LLVKDONJSA-N 378.837 2.820 0 40 GFAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O 5375373 YQXXSIJTKZNQSU-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)C3CCCCC3)cc21 12180658 MWNFQEHISRIMGE-UHFFFAOYSA-N 386.539 2.863 0 40 GFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccccc4)nn23)cc1 13525304 SXWORHVWKMEBTN-UHFFFAOYSA-N 389.415 2.609 0 40 GFAB Cn1c(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc2ccccc21 35313309 AYYWKCXAMWQWTG-UHFFFAOYSA-N 390.896 2.738 0 40 GFAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 30259836 VSDJLFNJNLETRF-UHFFFAOYSA-N 394.406 2.657 0 40 GFAB COc1cc(NC(=O)N2CCN(c3cnccn3)CC2)c(OC)cc1Cl 40103651 JDWQPWYVAMFETP-UHFFFAOYSA-N 377.832 2.501 0 40 GFAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(Br)cc1 22195149 IODIJRNEXNMBJT-LBPRGKRZSA-N 382.283 2.872 0 40 GFAB CC(C)Cc1ccc(CC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 53267008 LDEIYOYCNGHFLW-UHFFFAOYSA-N 385.508 2.799 0 40 GFAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 886488 IDRVOLVRIUMNFK-UHFFFAOYSA-N 396.852 2.782 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)n1 23246361 WRGAJYKXXMKTCK-IBGZPJMESA-N 394.475 2.641 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc4c(c3)OC(F)(F)O4)ccc21 24345847 CLPHMMYSQYDJIL-UHFFFAOYSA-N 389.358 2.968 0 40 GFAB COc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 919767 JJFJFDBDPWEXKA-UHFFFAOYSA-N 394.460 2.592 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1 1338813 LWRIVOCZADCSIC-UHFFFAOYSA-N 382.449 2.566 0 40 GFAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1N 1364476 VRMSGJSMBFQZGL-UHFFFAOYSA-N 383.433 2.524 0 40 GFAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccccc1-c1ccccc1 47852872 ZYKBJMYRSVTPEX-SIKLNZKXSA-N 380.488 2.821 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c(Cl)c1 56088023 HUCPYVFHVXVSCH-UHFFFAOYSA-N 376.869 2.767 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 6880427 JAGICLRPXAQTRL-OAHLLOKOSA-N 376.478 2.631 0 40 GFAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1C 12521002 AAYAZOBGEUGPDZ-UHFFFAOYSA-N 382.463 2.992 0 40 GFAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1 8498055 FQUGASQGHIFYEL-UHFFFAOYSA-N 398.475 2.816 0 40 GFAB Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc2)c1 44486724 SOBJGFHYFGTQRY-MRXNPFEDSA-N 381.461 2.881 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)c2C)cc1OC 108047004 GZCGLIJNWAKLIR-CQSZACIVSA-N 392.477 2.626 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(C)cc2)cc1OC 1913229 PUPKHDCEBFXWHZ-PKNBQFBNSA-N 383.444 2.928 0 40 GFAB Cc1c(OCC(=O)NCCCCCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2092758 LZQNPFFXZFYWAK-UHFFFAOYSA-N 387.432 2.730 0 40 GFAB biogenic Cc1nc(N2CCCC2)[nH]c(=O)c1CC(=O)N1CCC[C@H]1CCc1ccccc1 58310171 JTKBCGRTIJBWPH-IBGZPJMESA-N 394.519 2.845 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cn3cncn3)cc2)cc1 10655975 XEXUKSJAYSXGQB-CQSZACIVSA-N 380.404 2.519 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OC)cc1 2258134 SKJYWIXITDOBDR-LRDDRELGSA-N 390.461 2.533 0 40 GFAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(C(=O)N2CCCC2)CC1 29160766 JIOCCHPAGPCXHP-OAHLLOKOSA-N 395.511 2.593 0 40 GFAB CCCN(CCC)S(=O)(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 46796337 VBFMFMUXOKGKOM-IBGZPJMESA-N 383.558 2.789 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccccc1F 57428808 QZLGSSXEKUTFJY-UHFFFAOYSA-N 395.415 2.992 0 40 GFAB CN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)[C@H]1CCS(=O)(=O)C1 12781428 MWSZJQJCDATCMY-KRWDZBQOSA-N 397.456 2.663 0 40 GFAB FC(F)(F)c1nnc2ccc(NCC3(N4CCOCC4)CCCCC3)nn12 12798973 USVNHBGLTFHGFK-UHFFFAOYSA-N 384.406 2.590 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1C 3357444 OJWCUADOEUKCMG-UHFFFAOYSA-N 397.431 2.755 0 40 GFAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103066328 MOPDRTGAYRIKEN-MNEFBYGVSA-N 381.476 2.955 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(N3CCOCC3)n2)cc1 12855058 PCDHQIWFEZBSQQ-UHFFFAOYSA-N 381.523 2.677 0 40 GFAB COc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1OC 12857096 HPTVZNJGRIDNJF-UHFFFAOYSA-N 395.444 2.800 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10328094 RNJJLBBAMGVBKP-HNNXBMFYSA-N 376.478 2.869 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)cc1OC 3490944 YLWHQDRKJMVBMB-UHFFFAOYSA-N 391.395 2.667 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C3CC3)s2)c1 3538469 ZDBWSVLOAZHTAQ-UHFFFAOYSA-N 386.886 2.572 0 40 GFAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1ccccc1 12986963 VTIZXVMCKFOQED-IBGZPJMESA-N 376.460 2.574 0 40 GFAB COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1 4162416 RTWHSJKDYVQEKV-UHFFFAOYSA-N 385.493 2.855 0 40 GFAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1C 4251115 GXBFREVDQZWPAY-UHFFFAOYSA-N 385.427 2.949 0 40 GFAB Cc1cc(C(=O)N2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)no1 306130312 JCBZUJBOMUDGTI-UHFFFAOYSA-N 389.419 2.662 0 40 GFAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCCC1 7317134 SGEXTCFCCHNCSY-IBGZPJMESA-N 388.508 2.904 0 40 GFAB COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 7683627 PSBLQMKCQBTGLV-UHFFFAOYSA-N 387.505 2.805 0 40 GFAB C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1cccc(F)c1 16793862 LRJWSROUWQCHMY-CQSZACIVSA-N 395.390 2.615 0 40 GFAB O=c1[nH]c(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2ccccc12 8216089 MRCKNXZSZJIODZ-JTQLQIEISA-N 375.479 2.658 0 40 GFAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 20462593 XWGBUVGBOYGYMQ-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(C(=O)c2cccs2)CC1 8341047 ODFRMTGLRBLMEV-OAHLLOKOSA-N 389.546 2.931 0 40 GFAB COc1cccc([C@H](CO)NC(=O)Cc2ccc(F)c(Br)c2)c1 95457331 UFFLBUDBQHJIPC-INIZCTEOSA-N 382.229 2.989 0 40 GFAB Cc1cc(NCc2c(C(C)C)nn(C)c2Cl)n([C@H]2CCS(=O)(=O)C2)n1 84102082 VUXIMBQMZMIBGP-LBPRGKRZSA-N 385.921 2.674 0 40 GFAB COc1ccc(-c2nnc([C@H](C)OC(=O)Cn3c(C)csc3=O)o2)cc1 19354654 NAINKBMEDCDRJX-NSHDSACASA-N 375.406 2.581 0 40 GFAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Br)sc1C 97013900 BYRGLOYDWWOCKS-VIFPVBQESA-N 391.316 2.532 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccn(C)n1 95999677 APTFRJQEEUTEJY-KRWDZBQOSA-N 380.452 2.828 0 40 GFAB C[C@@H](NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1)c1ccc(F)cc1 22606209 WYHASVDDVMLTLC-OCHBPSSRSA-N 380.441 2.701 0 40 GFAB CCc1nc2ccccc2n1CC(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1 25015776 JWZQKQHXEYGPHL-UHFFFAOYSA-N 377.404 2.900 0 40 GFAB O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)N1C[C@H](O)C2(CC2)C1 547997196 WKUGYKIJXVOKJF-AWEZNQCLSA-N 396.369 2.819 0 40 GFAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306126737 FDTMVAHGIMXNTE-HOTGVXAUSA-N 379.489 2.896 0 40 GFAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H]1CCCN(c3cnn(C)c3)C1)C2 558628157 YNKVVMKWBKQNPW-KRWDZBQOSA-N 395.507 2.655 0 40 GFAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 30850131 IRCXBIRAWMDKEM-UHFFFAOYSA-N 380.491 2.968 0 40 GFAB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2C)c2ccccc21 39556821 MXXZPUOWWPJAES-BOPFTXTBSA-N 384.505 2.539 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)COc1c[nH]c(C)cc1=O 524732247 VIHDXGVWLCTADR-KRWDZBQOSA-N 381.432 2.746 0 40 GFAB biogenic COC(=O)c1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc(=O)[nH]c1C 31618484 CAWZFJTUJWMQHI-UHFFFAOYSA-N 375.450 2.719 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1C 224077377 KPOFWZDSCIFVPG-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C)c2C)cc1OC 225639037 AAXUBHBYDKCYNR-UHFFFAOYSA-N 379.478 2.850 0 40 GFAB C[C@H]1CCCCN1CCNC(=O)NCc1cc(Br)c2c(c1)OCO2 63615984 IJGHFKINKZVCBF-LBPRGKRZSA-N 398.301 2.851 0 40 GFAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCn2ccnc2)c1 223462452 FUXVDHFAMFOXHA-RGEXLXHISA-N 378.432 2.762 0 40 GFAB CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1 145820737 KOAIJHOXQLKRAL-UHFFFAOYSA-N 392.546 2.719 0 40 GFAB O=C(O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242464070 DUWBNELAXSPBOM-BZUAXINKSA-N 380.805 2.709 0 40 GFAB Cc1ccc2nc(O)cc(C(=O)N3CCC[C@@](O)(CN4CCCC4)CC3)c2c1 257311815 ULDJHELYODMIMD-QFIPXVFZSA-N 383.492 2.702 0 40 GFAB O=[S@](O)[C@@H]1CC[C@H](SCC2=C(Br)N3C=CS[C@H]3N2)C1 252694615 NISKMMUDNZQNJR-RNSXUZJQSA-N 383.358 2.833 0 40 GFAB CCc1nnsc1C(=O)N1CC[C@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257323919 WMKLPOVYLJTXOJ-CYBMUJFWSA-N 398.492 2.867 0 40 GFAB NC(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1 531516955 ODYCYIONTGYDJB-KRWDZBQOSA-N 391.427 2.566 0 40 GFAB COc1cc(Br)c(CNC(=O)[C@]2(C(=O)O)CC2(C)C)cc1OC 663088760 MLLPOUIOPUPAMR-INIZCTEOSA-N 386.242 2.583 0 40 GFAB CCc1noc(C)c1CNC(=O)N1CC(O)(c2cccc(Br)c2)C1 585114112 UKPSHYLCWXZYAC-UHFFFAOYSA-N 394.269 2.721 0 40 GFAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)NCc3ccco3)C2)c1 585095977 WFJMZXCZNCOJFM-GOSISDBHSA-N 378.432 2.688 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@H]1CCCO1)C2 585107245 RVTZWASVZHGCHX-GCJKJVERSA-N 380.492 2.955 0 40 GFAB C[C@]1(O)CCN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1Oc1cccc(F)c1 585262217 FMNYZWVGNPWDAE-OALUTQOASA-N 397.443 2.699 0 40 GFAB COc1cc(CN[C@H]2CCOc3ccc(F)cc32)cc(Cl)c1OCC(N)=O 68984983 TZIMVEJOABKUIC-HNNXBMFYSA-N 394.830 2.965 0 40 GFAB CC(C)(C)C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44096896 VQUZXIJFODQNLP-UHFFFAOYSA-N 383.374 2.845 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 57985393 DKEYPSKULQUOPY-HZPDHXFCSA-N 389.562 2.542 0 40 GFAB Cc1cc(CN2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2ccnn23)no1 1772596365 ANBXIUMFUSYXBA-UHFFFAOYSA-N 392.463 2.503 0 40 GFAB COc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)o2)cc1OC 5372453 NLFAWINDSJOZPO-UHFFFAOYSA-N 383.360 2.777 0 40 GFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 12205194 LGHFYKHEWJFKKA-KBPBESRZSA-N 379.888 2.732 0 40 GFAB CCCCn1c(=O)c2c(nc3n2CCCN3c2cc(C)cc(C)c2)n(C)c1=O 12374010 KQWGKYPHJQPRBC-UHFFFAOYSA-N 381.480 2.855 0 40 GFAB CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C 12602119 QQNNHZRNCAOQPF-JQHSSLGASA-N 385.487 2.723 0 40 GFAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 12892814 SYBFZNMVEDIREI-UHFFFAOYSA-N 393.443 2.668 0 40 GFAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 12999979 AHWASHKSCMHNDW-UHFFFAOYSA-N 380.187 2.959 0 40 GFAB CCN(CC)C(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678185 HECHGSJAUODATE-IBGZPJMESA-N 388.489 2.652 0 40 GFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)C[C@@H](C)O1 14169917 GUENCKKRPLHWKH-ZIAGYGMSSA-N 392.452 2.876 0 40 GFAB C[C@@H](C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1)N1CCCC1=O 19079650 OENKMFWASCSREH-OYMFQORVSA-N 399.535 2.662 0 40 GFAB Cc1nc(C)n(CC(=O)N2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)n1 19285771 ZBKYRDVGUSQFIV-UHFFFAOYSA-N 397.523 2.559 0 40 GFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(CCc1ccccc1)C2 19708708 SWISFKFOTDJDHC-LJQANCHMSA-N 393.535 2.845 0 40 GFAB O=C(c1ccccc1F)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13266830 DGWJMLSOAICNQM-CYBMUJFWSA-N 379.395 2.798 0 40 GFAB COc1cccc2c1CN(C(=O)Cn1nc(-c3ccccc3)ccc1=O)CC2 1128976719 WDWTVMVHWQCWAN-UHFFFAOYSA-N 375.428 2.504 0 40 GFAB Cc1ncc(CN2CCC(Cc3cncc(=Nc4ncc(C)s4)[nH]3)CC2)cn1 2037845545 AOOXLQXKNLLDTK-UHFFFAOYSA-N 395.536 2.960 0 40 GFAB Cn1cncc1CN1CCC2(CC[C@H](CNC(=O)OC3CCCC3)OC2)CC1 2056225558 QUGVYMCAMQBVFM-LJQANCHMSA-N 390.528 2.850 0 40 GFAB CCOc1ccc(N2C[C@@H](NC(=O)N3CCc4ccccc4C3)CC2=O)cc1 4373641 HKQJXECFWHKAOF-SFHVURJKSA-N 379.460 2.959 0 40 GFAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1cccc(Cl)c1 4315996 VRNUGIUBGVGOMK-UHFFFAOYSA-N 382.767 2.949 0 40 GFAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cccc(C(F)(F)F)c1 8954581 AGICUDHZUHNBBG-UHFFFAOYSA-N 377.322 2.952 0 40 GFAB CSc1ccccc1C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251356 DOPWXGZIHKEGJS-UHFFFAOYSA-N 377.429 2.688 0 40 GFAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCCC1=CCCCC1 12439996 XYOSDYINIZDCNJ-UHFFFAOYSA-N 386.477 2.633 0 40 GFAB CC(C)NC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O 22767980 IWVFMHNJKPVGJR-UHFFFAOYSA-N 385.855 2.638 0 40 GFAB Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)c2ccc(F)c(F)c2)c1=O 36685897 ORWUXFSEPIRIAJ-UHFFFAOYSA-N 389.402 2.932 0 40 GFAB Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3ccc4c(c3)OCO4)CC1)N2C 49410023 VVVKKSDLJZJDFS-UHFFFAOYSA-N 393.443 2.536 0 40 GFAB biogenic Cn1c(C(F)(F)F)nn(C2CCN(C(=O)/C=C/c3cccs3)CC2)c1=O 575616222 XXZKYPSDNZQMHV-SNAWJCMRSA-N 386.399 2.539 0 40 GFAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC(Nc2cccnn2)C1 618255873 KGRQTEQYJDFEAJ-UHFFFAOYSA-N 392.790 2.634 0 40 GFAB O=C(CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1ccccc1F 2298115923 SQTVXFQOOXLJTI-CQSZACIVSA-N 383.414 2.734 0 40 GFAB O=C(c1cccs1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694053 LLFUYYKFQWFFHH-UHFFFAOYSA-N 387.436 2.614 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c1 19551084 OPDFYHFJKHUVLT-SFHVURJKSA-N 382.464 2.507 0 40 GFAB C[C@@H]1CCc2nn(CC(=O)Nc3ccc(Br)cc3)c(=O)cc2C1 21110655 GFJKSLFOBCDATF-LLVKDONJSA-N 376.254 2.769 0 40 GFAB C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 40067194 BYDUQAJMGCPCGE-JSGCOSHPSA-N 396.559 2.735 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4C)[C@@H]3C2=O)cc1 100032939 QVWZEBGDOSYVPZ-OALUTQOASA-N 391.431 2.544 0 40 GFAB CC(C)c1nnc(NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)s1 40104041 LUIMPAVQFOFYCX-CABCVRRESA-N 377.514 2.694 0 40 GFAB COc1ccc(OC[C@@H](O)CSc2nc3c4ccccc4ncn3n2)cc1 40158680 RZOYEWKPRNQWDJ-CYBMUJFWSA-N 382.445 2.818 0 40 GFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1c1ccsc1 40157467 ULNNNAGLZGDGJY-SWLSCSKDSA-N 382.482 2.918 0 40 GFAB CCc1nnsc1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40121993 LBUJESGNHNDODV-UHFFFAOYSA-N 398.410 2.718 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100737077 UBJDQTIAFFESPR-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB O=S(=O)(Oc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32755039 MAGXDFFZSKOORL-UHFFFAOYSA-N 399.465 2.768 0 40 GFAB CCOc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1OCC 102939387 BBOMZBLISDMYHT-IYBDPMFKSA-N 388.464 2.988 0 40 GFAB Cc1csc(SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 22239312 ZLDAZUBOPLHNKY-MRXNPFEDSA-N 377.535 2.561 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc(-c3ccccc3)ns1)C2=O 42090832 DGJUGDMNKSRUEZ-BUXKBTBVSA-N 399.476 2.644 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3C)c(=O)c2c1C 812769 DRTAOMNLDHUOOY-UHFFFAOYSA-N 385.445 2.890 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 1368297 PYNMGQMHHUCQOQ-GASCZTMLSA-N 388.555 2.573 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H](CCC(=O)c2ccc(Cl)cc2)C(N)=O)cc1 1393232 VUBYHYLOASOACW-QGZVFWFLSA-N 379.865 2.939 0 40 GFAB CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(Cl)ccc3nc2-1 1611354 MXIBGRFZFZXAKG-HXUWFJFHSA-N 382.803 2.733 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2685068 DCKZWHBUPZJBPH-UHFFFAOYSA-N 375.425 2.733 0 40 GFAB NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)c(Cl)cc1Cl 2742367 UDVQKYULYSBJAE-UHFFFAOYSA-N 389.216 2.622 0 40 GFAB Cc1nn(C[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2O)c(C)c1Br 2794810 VOIYPLMQNVLASY-QMMMGPOBSA-N 396.241 2.941 0 40 GFAB CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1 3008403 ZYMCOEACGKEBGJ-UHFFFAOYSA-N 377.466 2.718 0 40 GFAB COc1ccc(CCN(C)C(=O)COc2ncnc3ccccc23)cc1OC 3257093 RVBPCAVQQXBZOS-UHFFFAOYSA-N 381.432 2.727 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc3c(c2)OCO3)c1 3353824 QIYLHBIAYFZHEL-UHFFFAOYSA-N 383.809 2.538 0 40 GFAB CC[C@@H](c1nnc(SCC(=O)N2CCOCC2)n1C1CCCCC1)N(C)C 3445674 RSGZFHMMRDWYCK-INIZCTEOSA-N 395.573 2.747 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc1 3496734 BWNLIQXWVCQRQP-UHFFFAOYSA-N 393.399 2.786 0 40 GFAB COc1ccccc1NC(=O)C(=O)NCCSc1nc(-c2ccccc2)c[nH]1 4315889 WAURWLLFCQIQEQ-UHFFFAOYSA-N 396.472 2.932 0 40 GFAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCc1ccc(F)cc1 4327736 GQPVAEIYOSKJNP-UHFFFAOYSA-N 394.435 2.734 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)O 4535698 QJJULDSUCQXEDB-WTTBNOFXSA-N 378.469 2.943 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)c1 4852455 HREUHOSWONGEGV-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB COc1ccc(-c2nonc2NC(=O)COc2ccccc2OC)cc1OC 5423024 ZKHOOWKQPFVRRV-UHFFFAOYSA-N 385.376 2.780 0 40 GFAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H](C(F)(F)F)C1 5862042 YVQMXZUAISXEEU-GJZGRUSLSA-N 375.387 2.912 0 40 GFAB CCCCOc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc1 6051177 HRJSUJBIUXHPPI-UHFFFAOYSA-N 379.511 2.746 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cc(Cl)cc(Cl)c2)NC(=O)N[C@H]1C 6083445 QJSGYGWTXQERRW-QMMMGPOBSA-N 387.219 2.669 0 40 GFAB COc1ccc2c(C)c(CCC(=O)Nc3ccccc3C(N)=O)c(=O)oc2c1 6623896 WGZDMGLGAMZEOF-UHFFFAOYSA-N 380.400 2.780 0 40 GFAB biogenic O=C(Cn1nnc2ccccc2c1=O)N1c2ccccc2OC[C@H]1c1ccccc1 6651537 UVEFKBXHYNOFSA-FQEVSTJZSA-N 398.422 2.958 0 40 GFAB COc1ccc(CC(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 6757595 UEFOWRWLAZVNOU-UHFFFAOYSA-N 383.404 2.621 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)O)cc3)CC2=O)cc1[N+](=O)[O-] 7928481 MLAVDLBHNUKXSD-CYBMUJFWSA-N 383.360 2.593 0 40 GFAB C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1ccc2c(c1)OCO2 8075666 CKTFIFBDFRRLQL-SNVBAGLBSA-N 389.462 2.631 0 40 GFAB NC(=O)CSc1nnc(Sc2ncnc3sc4c(c23)CCC4)s1 8202044 VMJIKBMCQDURAA-UHFFFAOYSA-N 381.533 2.760 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 8224172 CHVPVUZOPNDXGR-LLVKDONJSA-N 398.868 2.663 0 40 GFAB O=C1C[C@H](C(=O)Nc2ccc3ccccc3c2)n2nc(C(F)(F)F)nc2N1 8559326 GHWXRLYWVFZLPQ-GFCCVEGCSA-N 375.310 2.972 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCN(C)CC3)cc2)o1 8778323 OMMGZZTXUWCQPI-UHFFFAOYSA-N 391.493 2.555 0 40 GFAB CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nnc(N)s2)nc1C 9227588 GQWXBTFXQQLEEG-ZETCQYMHSA-N 387.512 2.571 0 40 GFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974794 YPLHPLBJQQZASI-HOTGVXAUSA-N 382.526 2.709 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(NC(=O)c2ccco2)cc1 11534476 DHFMGUNCEVEPKU-UHFFFAOYSA-N 391.383 2.756 0 40 GFAB CCc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1 12068933 KRNHKHVXOLPDLN-UHFFFAOYSA-N 393.578 2.801 0 40 GFAB O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1ccncc1 12321677 NJMCRSZOZZFIMC-UHFFFAOYSA-N 391.475 2.727 0 40 GFAB biogenic CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)c3cccnc3)CC2)C1 12366419 XFLFTOFGIXJUPA-QFIPXVFZSA-N 379.460 2.888 0 40 GFAB Cc1ccc(-c2csc(=O)n2CC(=O)NCCc2cn3ccccc3n2)cc1 12507342 KCUNSYGYZDQSFG-UHFFFAOYSA-N 392.484 2.892 0 40 GFAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O 12522871 ZYAMCIUKPCYCLB-IVZQSRNASA-N 377.444 2.876 0 40 GFAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C)c12 12782516 ZDUQLPLHRFRCSY-LBPRGKRZSA-N 395.550 2.865 0 40 GFAB COc1ccc(C)cc1/C=C/C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 12787143 ZAUCMUXBTDIHPG-ZAHGZRRWSA-N 380.444 2.899 0 40 GFAB CCCCc1nnc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)s1 12815984 HCKGVJHZHOFUEF-UHFFFAOYSA-N 380.495 2.673 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 13009049 QDSHPSDQCKLADR-UHFFFAOYSA-N 390.491 2.858 0 40 GFAB CC(C)c1ccc(CN(C)CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 13013621 PHFNHZXCOYLCDQ-UHFFFAOYSA-N 389.521 2.918 0 40 GFAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(Cl)c1)OCCO2 13090223 CHOCTYWUBPFYCA-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB CCOc1c(Br)cc(C(=O)NNC(=O)c2ccoc2C)cc1OC 13137391 VTWOKUDXCSGDFO-UHFFFAOYSA-N 397.225 2.833 0 40 GFAB COc1ccccc1Cc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1 13847907 DROZZILGTJIWCB-UHFFFAOYSA-N 399.428 2.884 0 40 GFAB Ic1cc2c(cc1I)OCCO2 14628822 ZLFKBNAGGCAGAD-UHFFFAOYSA-N 387.942 2.667 0 40 GFAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 16505100 NTYJPZNROODJKT-UHFFFAOYSA-N 392.452 2.874 0 40 GFAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2CC[C@@H]1C2 16551865 RTARCSWGSRIDLF-CIRFHOKZSA-N 376.884 2.731 0 40 GFAB Cc1nccn1CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 19288147 JJISXKXXCWNZPI-DZGCQCFKSA-N 396.417 2.906 0 40 GFAB C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 19497121 WTRUZKVVUMXTPP-CABCVRRESA-N 395.507 2.597 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(OC)c1 19620802 UHVOKVOQZOMYBR-UHFFFAOYSA-N 376.796 2.721 0 40 GFAB CCn1nc([C@@H](C)C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2c1=O 19716940 YTUMTYITUBODES-MRXNPFEDSA-N 384.524 2.901 0 40 GFAB COC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(Cl)cn1)C(F)(F)F 19944289 WNTVLXQLNZYQKS-CYBMUJFWSA-N 377.706 2.602 0 40 GFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(C)c1 20635690 IYQCCGNJCVHELO-AWEZNQCLSA-N 394.479 2.730 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(F)cc1 20636736 PZPLRGQCASCTNS-MOPGFXCFSA-N 395.434 2.590 0 40 GFAB CCOc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)ccc1OCC(C)C 20893000 FTWMNVBBSUWGIQ-MRXNPFEDSA-N 379.453 2.572 0 40 GFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 22133524 XOYNVZSTVNXMSB-CHWSQXEVSA-N 396.509 2.834 0 40 GFAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 22534696 BUXNIKWQGYRHGQ-HUUCEWRRSA-N 376.478 2.727 0 40 GFAB C[C@H](NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1)c1ccc(F)cc1 22606211 WYHASVDDVMLTLC-NHAQELONSA-N 380.441 2.701 0 40 GFAB COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2cc(F)ccc2OC)cc1 23578913 JYRNLDRXDRYWTM-ZDUSSCGKSA-N 375.396 2.747 0 40 GFAB COc1ccc(OCCN2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 23641028 SYKZUVLUNDZNCQ-UHFFFAOYSA-N 399.491 2.680 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1 23798733 CXFWLDDETHRLLK-UHFFFAOYSA-N 385.420 2.883 0 40 GFAB CCCn1c(=O)n(CC(=O)Nc2n[nH]c(-c3ccccc3)n2)c2ccccc21 25160768 IGYNOIXTAYNJPZ-UHFFFAOYSA-N 376.420 2.637 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1F)c1cccc(Cl)c1 25691794 ZXTMMRZHWFZOPW-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB CS(=O)(=O)c1nc2ccccc2n1CCCCN1C(=O)c2ccccc2C1=O 29591779 HAUPUBNDRJJMPC-UHFFFAOYSA-N 397.456 2.516 0 40 GFAB COc1ccc(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1F 31493914 YHOMHOGDNZEYPF-UHFFFAOYSA-N 386.471 2.947 0 40 GFAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F 32639777 QRTCRLWIJBVZPH-CMPLNLGQSA-N 393.303 2.683 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)COc3cccc(N4CCCC4=O)c3)ccc21 32768296 VXMGRVWDNCMWFL-UHFFFAOYSA-N 393.443 2.740 0 40 GFAB CC(C)c1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 32814351 CYIOZDSHTJWLGE-UHFFFAOYSA-N 385.445 2.801 0 40 GFAB O=C(NCc1ccc(-n2ccnc2)nc1)c1cccc(OC[C@H]2CCCO2)c1 33044096 QXZZZDTXWZMAQX-LJQANCHMSA-N 378.432 2.755 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OC(C)C 33782719 ATKNVCYUNWLNNR-NTUHNPAUSA-N 396.827 2.592 0 40 GFAB CCCCOc1ccc(C(=O)NCCNc2cc(-n3ccnc3C)ncn2)cc1 35598083 VDFXVOLETDWMAH-UHFFFAOYSA-N 394.479 2.992 0 40 GFAB CC[C@@H](CCNS(=O)(=O)c1cnn(C)c1C)n1nc(C(F)(F)F)cc1C 36614715 OTPQADQBHPKDNC-LBPRGKRZSA-N 393.435 2.572 0 40 GFAB O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1F 36700221 PESAQBOGDIKFTO-SFHVURJKSA-N 396.459 2.707 0 40 GFAB O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(I)cc1 38627549 OTSLYEUXAWMNDE-UHFFFAOYSA-N 399.209 2.636 0 40 GFAB COc1ccc([C@@H](CC(=O)NCc2ccc(-c3ccn[nH]3)cc2)NC(C)=O)cc1 40115628 GEGHHUFGKRREQQ-OAQYLSRUSA-N 392.459 2.969 0 40 GFAB COc1ccc(OC)c2c1CN(Cc1csc(-c3ncccn3)n1)C[C@@H]2O 40153581 KOZWAPZCNCYVPY-AWEZNQCLSA-N 384.461 2.667 0 40 GFAB CC[C@@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)c1ccccc1 43849061 PPGGOSRVYNUSTI-HNNXBMFYSA-N 383.448 2.905 0 40 GFAB COC(=O)c1cccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c1 51315213 FCEHIBSCPMJQRB-UHFFFAOYSA-N 382.328 2.609 0 40 GFAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC[C@H]1COCCO1 54618458 LDDNBSSUQANPQK-AWEZNQCLSA-N 386.395 2.903 0 40 GFAB CC(=O)N1C[C@H](C(=O)Nc2ccc3c(C)cc(=O)oc3c2)Oc2ccccc21 57659943 DBWHBVBEVFLHFF-LJQANCHMSA-N 378.384 2.854 0 40 GFAB C[C@@H](OCC(F)(F)F)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 58419847 ZEXMFZXDWXJSKX-GFCCVEGCSA-N 379.423 2.577 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 61718363 QEPPDGINTDEIHQ-IEBWSBKVSA-N 382.416 2.640 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1F 62162660 YZOJTCJCMWGPML-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB COC(=O)NCC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 62916529 XNSCDHIDMRQUGH-UHFFFAOYSA-N 387.823 2.724 0 40 GFAB CCOc1cc2c(c3[nH]c(C(=O)N4C[C@H](C(N)=O)CC[C@@H]4C)cc13)O[C@H](C)C2 65603519 OCAUEIOZOLDUNZ-YNEHKIRRSA-N 385.464 2.616 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-n2nnnc2C)cc1)CC3 71286904 UCPCQWUPTFYAOU-UHFFFAOYSA-N 388.431 2.659 0 40 GFAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1O 72393190 JLCINGDWSQEVKK-INIZCTEOSA-N 392.459 2.926 0 40 GFAB CC(C)c1ccc(-c2noc(CCN3CCN(CCCN(C)C)CC3)n2)cc1 72405396 KQZTXPYXALBTNP-UHFFFAOYSA-N 385.556 2.972 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cn(C[C@H](O)c3ccccc3)nn2)cc1OC 77100519 MIPDSEBJNCBRFQ-KSSFIOAISA-N 396.447 2.520 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77198099 SZQRTESLJKSJIV-UHFFFAOYSA-N 379.335 2.796 0 40 GFAB Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)Nc1ccc(F)cc1 96037560 AISGDUDKFJUCTD-UHFFFAOYSA-N 381.411 2.710 0 40 GFAB CCCCc1ccc(NC(=O)C2CN(c3ncnc4c3nnn4CC)C2)cc1 96096784 RCGSYYHQWOPLKY-UHFFFAOYSA-N 379.468 2.659 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)CCc1ccccc1)C2 96238125 UQCSXKLCLCTRBF-OAQYLSRUSA-N 383.517 2.630 0 40 GFAB COc1ccc(C(=O)N2CCc3nc(C(=O)NCC(C)C)sc3CC2)cc1 96264760 JGXSRQLCTAGSHS-UHFFFAOYSA-N 387.505 2.779 0 40 GFAB CC(C)(C)NC(=O)NC(=O)CCN1C(=O)S/C(=C/c2cccs2)C1=O 96941422 JKXUYCKVBFYRHN-PKNBQFBNSA-N 381.479 2.799 0 40 GFAB NC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3F)cn2)C1 97324532 PSGMVXMRCVZILZ-LLVKDONJSA-N 376.819 2.828 0 40 GFAB COc1ccc2cc3c(nc2c1)N(NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)CC3 101023391 GKFMRDXTLJXRTD-FGZHOGPDSA-N 395.459 2.759 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 102351948 FNLIBPLMOWCQBZ-SAKMYQHLSA-N 388.895 2.897 0 40 GFAB COC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@@H]1[C@H]1C(Br)=C(Br)[C@H]21 104097860 BZSYQMTXYCTLNO-JTMCIWCCSA-N 392.043 2.540 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2cccc(C)c2C)c1 223964797 JBSUIVSTYQPZRG-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2cccc(C)c2)cc1)S(C)(=O)=O 224216980 HFAVCZBLLXPVDK-UHFFFAOYSA-N 376.478 2.590 0 40 GFAB COc1ccc(CCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C 225121791 DNAZBXXHYZGMLE-UHFFFAOYSA-N 376.478 2.971 0 40 GFAB COC(=O)Cc1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)cc1 225216618 PCGPUKJACNAKNG-UHFFFAOYSA-N 393.578 2.612 0 40 GFAB COc1ccc2c(c1)CN(C(=O)COc1ccccc1)CC[C@H]1COC(=O)N21 225490156 KXKMJYBJQWGAQE-INIZCTEOSA-N 382.416 2.832 0 40 GFAB biogenic,in-vitro O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccccc1I 226694382 ALWHPSLTCNMERY-JYILRKAJSA-N 379.197 2.993 0 40 GFAB Cn1nc(-c2cccnc2)cc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1 245174501 YPTNYLOYNNZZJO-UHFFFAOYSA-N 396.394 2.979 0 40 GFAB CC1(C)Oc2ccc(O)cc2[C@@H]2O[C@@H]3CCN(C(=O)CCCC(=O)O)[C@H]3C[C@H]21 257264867 LWHRVQJLZRNXNH-MJEZEWASSA-N 389.448 2.865 0 40 GFAB Cn1nccc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1 257307854 TUJYPNYZDIDLFO-VQIMIIECSA-N 375.856 2.916 0 40 GFAB CC(C)[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 260899773 PWSMQOKYHYVKGY-DNVCBOLYSA-N 388.489 2.804 0 40 GFAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 408709367 ROOQIINGUJJTIZ-UHFFFAOYSA-N 391.427 2.773 0 40 GFAB Cc1ccc(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 408734569 YGSDSIXJVXMHCR-QZTJIDSGSA-N 399.450 2.780 0 40 GFAB CCn1nccc1C1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 562731173 MIDIFFYHDZUQFU-GOSISDBHSA-N 399.470 2.737 0 40 GFAB O=C(CN(Cc1cccnc1)c1ccccc1)N1CCCC[C@@H]1c1nc(O)n[nH]1 577356768 IYEIQNSHJZONDJ-GOSISDBHSA-N 392.463 2.666 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cccc(OC)c2Cl)c1 585093550 VZOJHEUOGABYCF-UHFFFAOYSA-N 384.885 2.589 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccs4)CC3)[C@H]2C1 585106282 NEYCLNTUSSROSE-XHSDSOJGSA-N 375.538 2.589 0 40 GFAB C[C@@H]1CC[C@H](C(=O)N2CCc3[nH]nc(-c4ccc5c(c4)CCCO5)c3CC2)O1 585110337 HEVVHESFHOEBFO-JLTOFOAXSA-N 381.476 2.896 0 40 GFAB C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@H]2CCCN2)nn1 646273309 PQDRWRAPYBSKSG-VXGBXAGGSA-N 382.295 2.698 0 40 GFAB CCN1C[C@H](CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)CC1=O 650287439 HVXURNQLFBLRAK-QGHHPUGFSA-N 384.263 2.629 0 40 GFAB Cc1nc(NS(=O)(=O)c2cccc3c2OCCCO3)nc2c1CCCC2 650456157 BAGTTWIYQWHHDC-UHFFFAOYSA-N 375.450 2.626 0 40 GFAB Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 653138098 IWVYEDUJZQZORY-AWEZNQCLSA-N 387.896 2.984 0 40 GFAB Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)O[C@H]1CCC(=O)NC1 1518772815 PMBNVLVQPSSAKG-LBPRGKRZSA-N 394.353 2.983 0 40 GFAB CS(=O)(=O)Nc1ccccc1CNC(=O)NC12CC3CC(CC(C3)C1)C2 47575804 LMGQIPQUEJEGPF-UHFFFAOYSA-N 377.510 2.826 0 40 GFAB CCOc1cc(CN[C@@H]2C[C@@H]2C)cc(Br)c1OCC(=O)N(C)C 105437931 ZTPWPRKJFHXGFA-SMDDNHRTSA-N 385.302 2.813 0 40 GFAB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2 3024617 TWFHACFXONLAGI-OXJNMPFZSA-N 378.384 2.844 0 40 GFAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1ccc2ccccc2c1 634376 PEXOHDJSFQXGFT-UHFFFAOYSA-N 382.397 2.723 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccn(-c2cccc(Br)c2)n1 78606141 YACKLTORZURCJU-OAHLLOKOSA-N 394.269 2.952 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 3055629 MVIUVINLTAMHRB-UHFFFAOYSA-N 379.460 2.784 0 40 GFAB CCc1cc2c(=O)[nH]c(CC(=O)Nc3ccc(N4CCOCC4)cc3)nc2s1 55494699 YVGILNAVQRTQSK-UHFFFAOYSA-N 398.488 2.565 0 40 GFAB O=C(COC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3523773 LOJYRNLYLKPJFJ-UHFFFAOYSA-N 387.457 2.901 0 40 GFAB COc1ccc(CCN2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 25026714 BUQBIPMJFYUZFF-UHFFFAOYSA-N 377.492 2.581 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCCCN3CCOCC3)cc12 25316001 LZTIKKZMRUNIOK-UHFFFAOYSA-N 384.505 2.848 0 40 GFAB C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@H](c1ccccc1)N1CCOCC1 25701918 FHUVOJOTRPMAQI-OPAMFIHVSA-N 392.455 2.985 0 40 GFAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)[nH]n1 57426316 TYXQQJFGNDNBBD-UHFFFAOYSA-N 377.495 2.876 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 57478899 ZFHNGFDPXYHKJU-UHFFFAOYSA-N 379.388 2.552 0 40 GFAB CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C 8635337 NDGOBKTUZYATTD-OTWHNJEPSA-N 381.524 2.973 0 40 GFAB biogenic,in-vitro NC(=O)[C@@H]1CCCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10219966 IQENSMHKXICBAA-INIZCTEOSA-N 375.856 2.556 0 40 GFAB Cc1nc(C(=O)N2CCN(c3ccccc3F)CC2)nn1-c1ccc(F)cc1 12593235 IUVWPQLVCYJBSK-UHFFFAOYSA-N 383.402 2.816 0 40 GFAB COC(=O)c1c(N)n(-c2ccc(NC(C)=O)cc2)c2nc3ccccc3nc12 2369109 NXVDZSIYJQNOHD-UHFFFAOYSA-N 375.388 2.901 0 40 GFAB COC(=O)c1cc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cs1 36614487 TXQQSKWVLBODOI-UHFFFAOYSA-N 384.392 2.618 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1S(=O)(=O)C(F)F 2400570 IIHZTGMHLLEDQD-HNNXBMFYSA-N 399.371 2.981 0 40 GFAB CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)no1 46125814 YCCILDORAZEDQS-HNNXBMFYSA-N 391.493 2.751 0 40 GFAB Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)c1 12772547 UPMYYEUKTRZRTG-UHFFFAOYSA-N 378.519 2.948 0 40 GFAB COc1ccc(OCCN(C)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 12799040 VUXYFJREHWAFFY-UHFFFAOYSA-N 375.469 2.608 0 40 GFAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 3377071 ZEUCSZCZAMZGIF-KRWDZBQOSA-N 397.378 2.693 0 40 GFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 57478292 JXKBFNAIPVEPOR-HXUWFJFHSA-N 395.459 2.608 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1 12887284 CTKQRRABESYCKV-UHFFFAOYSA-N 397.431 2.509 0 40 GFAB CN1N=C(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1=O 12918710 OWNVJXFGWWXPKH-UHFFFAOYSA-N 387.443 2.764 0 40 GFAB COC(CNC(=O)[C@@H]1C[C@@H]1c1ccccc1)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1 96010615 JAYXVKSAZONTGI-GXRSIYKFSA-N 392.499 2.841 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)cc1 5047333 GPXHILDYLIUPCF-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 9305371 DVXFFSMIULAEAB-FQEVSTJZSA-N 397.818 2.989 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCSc2ccccc21 9365761 VEEATJYLHUIDHB-OAHLLOKOSA-N 387.505 2.985 0 40 GFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c1C 5135097 HFYPHUYZSYMIIH-UHFFFAOYSA-N 388.445 2.695 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cccc3cccnc23)s1 13985328 GXMDKUMLRREXLW-UHFFFAOYSA-N 375.475 2.640 0 40 GFAB NC(=O)c1ccccc1NC(=O)CCCCCn1cnc2ccccc2c1=O 5203998 IVRYLUAUNGTIHG-UHFFFAOYSA-N 378.432 2.695 0 40 GFAB O=C1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(N3CCOC3=O)cc2)CCN1 65518711 IPZDAYPAISEIHN-SFHVURJKSA-N 394.431 2.738 0 40 GFAB C[C@H]1CN(C(=O)C2CCC(C(=O)N3C[C@H](C)OC(C)(C)C3)CC2)CC(C)(C)O1 65609422 TTWOMYXMSWXJOH-VYMRPNJYSA-N 394.556 2.845 0 40 GFAB CC(C)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 5460740 SFZMTDQYXCITHY-UHFFFAOYSA-N 395.507 2.538 0 40 GFAB CNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccoc2C)n1C)c1ccccc1 4948098 BDCYQRRPGCBXIM-AWEZNQCLSA-N 385.449 2.673 0 40 GFAB Cc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3ccccn3)CC2)cc1C 67284582 BRKOHJNYUONKPJ-UHFFFAOYSA-N 377.452 2.523 0 40 GFAB COc1cc(/C=C/C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1O 9591856 GMOBCNIWVKCRBV-ONNFQVAWSA-N 380.444 2.965 0 40 GFAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1 15523884 BLSOTBLEOZIJRA-UHFFFAOYSA-N 392.425 2.929 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCOc3ccccc32)ccc1Br 71804309 YNBIZUFCODTJGB-UHFFFAOYSA-N 398.234 2.735 0 40 GFAB CCOc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC 7976105 PYQNTCFXXHXGIS-UHFFFAOYSA-N 392.477 2.807 0 40 GFAB CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2ccc(F)cc2F)CC1 83881682 BNWOMWBSDCNHFO-FQEVSTJZSA-N 399.441 2.700 0 40 GFAB CC(C)N(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(C)C 8235614 JXSRGBWDQQKAAK-UHFFFAOYSA-N 385.493 2.846 0 40 GFAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nc(-c2ccccc2)no1 8394626 PRNGTFNZZJHGSG-QGZVFWFLSA-N 387.399 2.881 0 40 GFAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccc(F)cc3)ccc21 8313786 OFZVNLKJKAKXHK-UHFFFAOYSA-N 391.420 2.578 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)c2ccc(S(C)(=O)=O)cc2)n1C 8745616 DVWFHCSQJCKMIV-UHFFFAOYSA-N 391.474 2.762 0 40 GFAB O=C(Cn1cnc2sccc2c1=O)NCCCCOc1ccc(F)cc1 8776431 YRYINYZRPBASJL-UHFFFAOYSA-N 375.425 2.573 0 40 GFAB Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3ccco3)s2)cs1 8942014 TZVZFIJVEBHUDS-UHFFFAOYSA-N 375.475 2.862 0 40 GFAB O=C(NCCOC(=O)c1ccccc1NCc1cccnc1)c1ccncc1 95987669 AFBRGWBZQOPZMT-UHFFFAOYSA-N 376.416 2.676 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1C 89502454 KBOHFTCSYDCUOT-ZDUSSCGKSA-N 385.428 2.519 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1C 408558286 QFPODFXRYYXEFT-INIZCTEOSA-N 394.537 2.853 0 40 GFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 20460908 JZRJQPOELXLBSS-INIZCTEOSA-N 378.538 2.795 0 40 GFAB CSc1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408703075 MOZIVJYXNCVIDS-UHFFFAOYSA-N 394.518 2.817 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 518905839 YINVAJSSMUBSMF-FAYQHZLMSA-N 384.929 2.668 0 40 GFAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 409248481 KQZLOBJQVIVZSV-SFQUDFHCSA-N 395.415 2.625 0 40 GFAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)c2cnccn2)C1 72358743 JSGSQSVRIBVOML-OAHLLOKOSA-N 375.432 2.962 0 40 GFAB Cc1cc(C)c(NC(=O)c2nnn(CC(=O)Nc3nccs3)c2C)c(C)c1 71327153 DCQUHTRFGMNJMS-UHFFFAOYSA-N 384.465 2.859 0 40 GFAB O=C(COC[C@@H]1CCCO1)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 72374268 AKNHLUIBAUWLSP-SFHVURJKSA-N 397.479 2.517 0 40 GFAB C[C@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 38828355 MWPCNQOYOXXVBU-GUTXKFCHSA-N 395.463 2.602 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(OC)c1 220466338 HOAFGYVYLZCXLF-GFCCVEGCSA-N 396.440 2.636 0 40 GFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc2ccccc2oc1=O 225753221 PMQVBIBJSKBGOU-UHFFFAOYSA-N 378.432 2.792 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)Oc2ccccc21 224226980 BFQHGCZKFWXHHW-INIZCTEOSA-N 382.526 2.935 0 40 GFAB CCOc1ccc(C(=O)NC)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224819758 CRNCEXPJSYFUGG-UHFFFAOYSA-N 376.478 2.574 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1)[C@@H]1C[C@H]31 226401087 FMKSDXUBMCDTLT-ODICJLLRSA-N 390.361 2.593 0 40 GFAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N(C)C 223244312 LOZPWQFYUKSSMG-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1N1C(=O)CCC1=O 223850425 XOAGWSWOJWXZRM-UHFFFAOYSA-N 388.445 2.766 0 40 GFAB COc1ccc(OC)c(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)c1 95482666 CJYWUPYQMNCTMD-UHFFFAOYSA-N 376.829 2.924 0 40 GFAB CC(C)(C)OC(=O)N1CCN[C@H]2CCN(C(=O)OCc3ccccc3)CC[C@@H]21 91302527 KNPRWOAPSCCIED-ROUUACIJSA-N 389.496 2.997 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96075131 YEMLPHMLRCBLSJ-VGOFRKELSA-N 396.418 2.974 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2ccsc2)N2CCC2)cc1 245053591 PBXDYLJTIXFCSC-SFHVURJKSA-N 392.546 2.647 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(C)nc(C)n3)C2)c1 585081253 SVMFWUFYRDIKNU-GOSISDBHSA-N 380.492 2.879 0 40 GFAB CC(C)Cc1ncc(-c2nccnc2C[C@H]2CCN(S(C)(=O)=O)C2)s1 257295524 QYQYUCSZGRNNBJ-CYBMUJFWSA-N 380.539 2.623 0 40 GFAB Cc1c(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)nnn1-c1ccccc1 257287247 PPDIQQLKXNGHAL-UGKGYDQZSA-N 392.459 2.620 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)n1 253537333 OFGXOYBXNBLIQQ-UHFFFAOYSA-N 380.370 2.908 0 40 GFAB O=C(Cc1cc2ccccc2o1)N[C@H]1[C@H]2C[C@H]1N(C(=O)Cc1ccsc1)C2 1615611433 LVYZIMZPZDHKMD-XPIZARPCSA-N 380.469 2.995 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(N(C)C)cc2)cc1Cl 90611911 VPJSRCLBTJKNHI-QGZVFWFLSA-N 375.856 2.503 0 40 GFAB O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H]1CC[C@@H](C2CC2)N1 653082119 JTLYGFCHHMRYRO-LSDHHAIUSA-N 390.285 2.558 0 40 GFAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 585292605 LIIGDSAZIKHYQA-IPLHWJFFSA-N 387.447 3.091 0 40 GFAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585292583 PEQNRPLJUZCIIJ-FYCOFBDGSA-N 389.463 2.686 0 40 GFAB CCCn1c(=O)n(CCC(=O)N(CCO)Cc2ccsc2)c2ccccc21 52150859 CINRCEHLLFNHAG-UHFFFAOYSA-N 387.505 2.686 0 40 GFAB Cc1ncsc1C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 55068899 XYFXNHOMRSPBQD-UHFFFAOYSA-N 391.518 2.829 0 40 GFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(SC(F)F)cc1 57440434 DNIRSHOYPMVPGX-UHFFFAOYSA-N 395.431 2.991 0 40 GFAB COc1cccc(OC)c1OC[C@@H](O)CNC(=O)Nc1cc(C)ccc1F 58357288 MNNBYPWJRFUABN-ZDUSSCGKSA-N 378.400 2.713 0 40 GFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NC1CCN(CC(F)F)CC1 61603304 GKUZPZIJQBXRFZ-OWOJBTEDSA-N 386.826 2.970 0 40 GFAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCC1 1615188732 NRXUWEDDQCUOLT-LJQANCHMSA-N 387.879 2.616 0 40 GFAB Cc1cc(C)n(CCNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)n1 12186476 ASMDDOFDXKXLDP-UHFFFAOYSA-N 376.464 2.625 0 40 GFAB Cc1ccc([C@@H](C)C(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)cc1 12336931 TYUWEIXWRUWXQH-CYBMUJFWSA-N 380.452 2.511 0 40 GFAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1)NC1CC1 12916599 QYHVIMCDGIQGIC-UHFFFAOYSA-N 396.871 2.949 0 40 GFAB COc1ccc([C@@H]2[C@@H](NC(=O)Cn3nc(C)ccc3=O)[C@H]3CCCC[C@H]32)cc1 19131115 ROEPNTZFIYXENM-KSCDAYEDSA-N 381.476 2.649 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)C(=O)c3cnn(C)c3C)CC1)O2 19219128 MSFODURAKXNREH-UHFFFAOYSA-N 396.491 2.613 0 40 GFAB Cc1cnc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cn1 19238919 LDEGQAQFLMXTMI-INIZCTEOSA-N 381.461 2.964 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19333150 DXZWJUIAUYMCGX-MRXNPFEDSA-N 378.407 2.530 0 40 GFAB CC1CCN(c2nc([C@H](C)NC(=O)Cc3c[nH]c4ccccc34)cc(=O)[nH]2)CC1 19497004 FYLRJSYWXATHMN-HNNXBMFYSA-N 393.491 2.907 0 40 GFAB CC(C)CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703123 VZEYTVHVZXFIEF-MRXNPFEDSA-N 389.521 2.798 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(C(=O)C4CC(F)(F)C4)CC3)cnc2c1 1848591746 VACJJDZUYOOIIA-UHFFFAOYSA-N 391.418 2.689 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@@H]([C@@H]2CC(=O)c3cc(F)ccc3O2)C1 12753766 GYHGAFMZYMGYCO-BZNIZROVSA-N 375.425 2.872 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 15339517 NUUYQNOQMFAMEP-UHFFFAOYSA-N 375.469 2.951 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccnc1O[C@H]1CCOC1 253400877 MBZCGTVIRXGZHJ-IBGZPJMESA-N 381.476 2.644 0 40 GFAB C=Cn1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](CO)C4)nc2C3)c1C 257283243 OXKZAAQANIRXDJ-MMOPVJDHSA-N 394.523 2.553 0 40 GFAB C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)O[C@H]2CCCCC2=O)c1 36427651 VSMCVMYHPHOCNC-KDOFPFPSSA-N 379.478 2.918 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(F)cc1 6125334 IHOKVXYQRJOTQK-UHFFFAOYSA-N 385.439 2.751 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238929542 UYNZNBWWGMNJHV-FCEWJHQRSA-N 377.400 2.619 0 40 GFAB Cc1ccc(OCC2(O)CCN(CC(=O)NCCc3ccccc3)CC2)cc1C 2037916263 ZXSOUOUHVUXHPP-UHFFFAOYSA-N 396.531 2.868 0 40 GFAB O=C(c1ccc(OCC2CCOCC2)nc1)N1CCN(c2ccccc2O)CC1 253398681 HIGOQWGSFCYLAK-UHFFFAOYSA-N 397.475 2.555 0 40 GFAB CC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4941785 OVIBZGURTMOPPL-UHFFFAOYSA-N 378.885 2.983 0 40 GFAB Cn1cc(C(=O)NCc2c(F)cccc2F)c2nn(-c3ccccc3)c(=O)c-2c1 9661375 MDUNTIDZHCAXHN-UHFFFAOYSA-N 394.381 2.884 0 40 GFAB Cc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](C)c2ccccc2)c3=O)cc1 12233771 XWEDNUSVEVDEQP-HNNXBMFYSA-N 375.432 2.589 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)n1 1775976944 FFCIMZCKXACMDA-UHFFFAOYSA-N 376.342 2.872 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(C2CC2)c(=O)c2nscc21 49403968 VBNBLVZVKJSMRX-UHFFFAOYSA-N 390.852 2.555 0 40 GFAB Cc1ccc(S(=O)(=O)NCCOc2ccc(-c3cccs3)nn2)cc1 9853583 SRFJMLRMHXHESR-UHFFFAOYSA-N 375.475 2.871 0 40 GFAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2 100093798 QVMVBPAPBMXUBR-GVARAGBVSA-N 388.489 2.967 0 40 GFAB Cc1cc(C(=O)N2CCN(Cn3nc(-c4cccs4)oc3=S)CC2)on1 40149153 AIOXOROFVVNVTB-UHFFFAOYSA-N 391.478 2.646 0 40 GFAB CCCn1c(SCC(=O)N[C@@H]2CCCCNC2=O)nc2cc(Cl)ccc21 40127506 DXMGEFLKTASNDQ-CYBMUJFWSA-N 394.928 2.977 0 40 GFAB COc1ccc(S(=O)(=O)Oc2cc(C)c(CN3CCOCC3)cc2C)cc1 20218676 UALXCFMGCKBCQC-UHFFFAOYSA-N 391.489 2.912 0 40 GFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20390723 XNWFJPNYSLRIKF-CIAFKFPVSA-N 386.451 2.829 0 40 GFAB Cn1ncc2c(Nc3cccc(Cl)c3)nc(NCCN3CCOCC3)nc21 20560398 GPMXCZKBSBPXAL-UHFFFAOYSA-N 387.875 2.504 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101227152 VDKOGNUUZLMWFL-DFEHZGFQSA-N 381.428 2.770 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 32841830 QWSDOUXDPJFZAO-BEFAXECRSA-N 384.455 2.556 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccccc1 32899736 SSMGVOMKIAVVKE-IBGZPJMESA-N 398.413 2.724 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 792356 UYKYCIWUDCDFPR-KRWDZBQOSA-N 390.480 2.851 0 40 GFAB COc1cc2c(cc1NC(=O)CN1CCC(C(N)=O)CC1)oc1ccccc12 3292960 AJAOEOCTJYBYJH-UHFFFAOYSA-N 381.432 2.730 0 40 GFAB Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)Nc1ccc(F)c(F)c1 4895763 FUSJCEGTONYHGL-AREMUKBSSA-N 380.416 2.908 0 40 GFAB O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCc2ccccc2C1 4968214 LOWOFPQQGLUHES-UHFFFAOYSA-N 393.466 2.792 0 40 GFAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nnc(-c2cccs2)o1 5185588 XOZRGUSMHSYBLY-JTQLQIEISA-N 382.401 2.882 0 40 GFAB Cc1cc(O[C@@H](C)C(=O)NCCCN(C)C)c2c3c(c(=O)oc2c1)CCCC3 5307522 QVCRERJKQUDJJG-HNNXBMFYSA-N 386.492 2.815 0 40 GFAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc(Cl)cc2)n1 5397242 HLSQKHMQJMRUQG-UHFFFAOYSA-N 383.835 2.889 0 40 GFAB CCOC(=O)C1=C(CSc2nnc(SCC)s2)NC(=O)N[C@H]1CC 5450516 UAEHGOBTATXPTC-QMMMGPOBSA-N 388.540 2.651 0 40 GFAB CCOC(=O)CC(=O)N(c1ccc(OC)cc1)[C@@H](C(=O)OC)c1ccccc1 5828737 GEFRHGMRFDDGEJ-HXUWFJFHSA-N 385.416 2.896 0 40 GFAB O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Br 6051658 IXTZHCITYCLOBF-UHFFFAOYSA-N 382.235 2.899 0 40 GFAB CC(C)CNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6326217 KDKKXFVAHUMIDY-UHFFFAOYSA-N 388.533 2.912 0 40 GFAB COc1cccc(/C=C/C(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)c1 6654604 LQBZOPLJGXLAHA-BQYQJAHWSA-N 391.423 2.970 0 40 GFAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N)n1)c1ccccc1 6680141 LMFRDDJGUSOEIV-LBPRGKRZSA-N 396.476 2.609 0 40 GFAB O=C1COc2ccc(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc2N1 6882341 CLBXUNPRWYKVNI-UHFFFAOYSA-N 386.713 2.734 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CC2=O)c1 7452258 RHFCUHYLMVNKSS-INIZCTEOSA-N 397.450 2.536 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 8087596 HSPBKNOQGYUACA-QGZVFWFLSA-N 388.445 2.614 0 40 GFAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl 8209196 NDPJPSYAWORTKE-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB Cc1ccccc1-n1nnnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 8326273 PGLJPSFDBZLZRU-SFHVURJKSA-N 395.488 2.663 0 40 GFAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC2 8405722 HYIFVBNVOSFKTR-SFHVURJKSA-N 399.878 2.831 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(Nc2ncnc3sc4c(c23)CCC4)C1=O 8490376 RPWUYLWKQIGFTL-LJQANCHMSA-N 379.445 2.974 0 40 GFAB Cc1ccc(OCC(=O)NCCNC(=O)COc2ccc(C)c(C)c2)cc1C 8550725 OWFLYMPCEPWLAM-UHFFFAOYSA-N 384.476 2.610 0 40 GFAB COc1ccc(NC(=O)CSc2nc(CC(=O)NC(C)C)cs2)cc1 8851331 QPMFTSOWLISJCV-UHFFFAOYSA-N 379.507 2.950 0 40 GFAB Cn1c(N2CCN(CCc3ccccc3)CC2)nc2sc3c(c2c1=O)CCC3 9304934 OQXDCQIWNXLULO-UHFFFAOYSA-N 394.544 2.848 0 40 GFAB COc1cc(OC)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1OC 9709918 VLWQWMNJQNJFSO-UHFFFAOYSA-N 395.419 2.953 0 40 GFAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751186 JRESFQXKILTOJV-LLVKDONJSA-N 383.429 2.825 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1 12584786 VTJDGWKZFSASFS-UHFFFAOYSA-N 394.518 2.881 0 40 GFAB O=C(NCCc1ccccc1)c1csc(NS(=O)(=O)c2ccccc2)n1 12628001 CZVZCDLAFUGVKO-UHFFFAOYSA-N 387.486 2.916 0 40 GFAB CNC(=S)N1[C@H]2CC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 12644069 YXFBNTZHZYTMFM-VAVLCFDJSA-N 376.570 2.754 0 40 GFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3nnc4n3CCCCC4)c12 12740604 UUDIQJPIZYFZEW-UHFFFAOYSA-N 381.484 2.648 0 40 GFAB CSc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 12768181 VSCWVXYCTHIENV-UHFFFAOYSA-N 393.486 2.982 0 40 GFAB Cc1ccc(CNC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 12771765 GGDJOOHTAOWAFE-UHFFFAOYSA-N 380.492 2.769 0 40 GFAB CC(C)c1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 12878907 WGSIKYFKVVLPIA-UHFFFAOYSA-N 377.444 2.820 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@](C)(CC(C)C)C1=O 13040406 SCNYGJFYWRPISG-OAQYLSRUSA-N 397.479 2.784 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)c2ccncc2)CC1 13266657 OTTIGBLTQHUCTD-UHFFFAOYSA-N 378.407 2.888 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 13566227 CIHMSIAVMKQSTN-AUUYWEPGSA-N 387.480 2.741 0 40 GFAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCC(=O)O 13571771 IQUWPODREXZPKM-GTNSWQLSSA-N 393.871 2.567 0 40 GFAB CN(c1ccc(OCC(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccccc1 13584645 BOGWWXDBRPIEJM-UHFFFAOYSA-N 376.478 2.805 0 40 GFAB Cc1c(Cl)ccc2sc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)nc12 13790461 DKVXBMBOHCJTRQ-SNVBAGLBSA-N 387.914 2.868 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 13791358 BXFKJTWGOUOEFF-HXUWFJFHSA-N 386.517 2.887 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 13954868 NRJCFVBBMQQPBN-CALCHBBNSA-N 395.503 2.951 0 40 GFAB C[C@H](Oc1ccccc1)C(=O)NCC(=O)Nc1ccccc1Br 14084894 BZVOWPQABQVMKZ-LBPRGKRZSA-N 377.238 2.971 0 40 GFAB COc1ccccc1CN(C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 15296345 RQYXMSQAICFNPG-UHFFFAOYSA-N 384.476 2.729 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)OCCCO2 15359746 HBUPJGXTLBVNFY-UHFFFAOYSA-N 399.472 2.854 0 40 GFAB COc1ccc(-n2ccn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2=O)cc1 15862438 RIOYEJXPVAFHQO-UHFFFAOYSA-N 387.823 2.948 0 40 GFAB CCCS(=O)(=O)c1nnc(NC(=O)[C@H](CC)Oc2ccccc2F)s1 17045809 MZEWHTZMLYBJMS-NSHDSACASA-N 387.458 2.657 0 40 GFAB COC(=O)c1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 17877378 INAHNTNIZZRBSW-HNNXBMFYSA-N 385.397 2.596 0 40 GFAB CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 17968880 FDNWFVRBCSOHLB-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(C)cc(N)n2)c1 19317929 SORMAODYSYUXAI-OAHLLOKOSA-N 388.493 2.840 0 40 GFAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)n[nH]1 19447407 YAXULIYNOJXTMZ-IBGZPJMESA-N 382.512 2.754 0 40 GFAB Cc1ccccc1OC1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1 19660834 KKYCMUNZDGGFLT-UHFFFAOYSA-N 377.448 2.963 0 40 GFAB Cc1ccnn1CCC(=O)N1CCO[C@@H](c2nccnc2-c2ccccc2F)C1 19693132 ZEQQPOYVKRMFHF-GOSISDBHSA-N 395.438 2.778 0 40 GFAB CNC(=O)c1[nH]c([C@H]2CCCN(C(=O)C(C)C)C2)nc1-c1ccc(OC)cc1 19698834 MZCWKHQREBKJIE-HNNXBMFYSA-N 384.480 2.807 0 40 GFAB COc1ccccc1CNC(=O)c1cc([C@H]2CCN(Cc3cccnc3)C2)n[nH]1 19707711 LXRCPGUVUFCQGI-SFHVURJKSA-N 391.475 2.733 0 40 GFAB Cc1cc(C)nc(N2CCC(CC(=O)N(C)Cc3c(C)nn(C)c3C)CC2)n1 19748794 JELINWRTJLKHLZ-UHFFFAOYSA-N 384.528 2.709 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 20021452 QJWJOHFLQKWQHS-IBGZPJMESA-N 388.489 2.510 0 40 GFAB Cc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1C 22329469 XLVXBLXVRUAXAO-UHFFFAOYSA-N 392.496 2.958 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1c[nH]c2ccccc12 25890592 PWXOQQPLRKTTBI-UHFFFAOYSA-N 399.472 2.798 0 40 GFAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2n1 27617321 CTLMEVGKLMSPIE-UHFFFAOYSA-N 378.451 2.926 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)N2CCCC2)CC1 29158041 SHLHZUZUKPIGFR-UHFFFAOYSA-N 379.888 2.622 0 40 GFAB COC(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 29575910 PBFOPHUYTXESGW-KRWDZBQOSA-N 398.434 2.633 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)cc1)C1CC1 30853926 XSANLLKQZFACFJ-UHFFFAOYSA-N 383.492 2.900 0 40 GFAB CC(C)c1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2C)s1 32579392 CTWUEFXNZJXSFP-UHFFFAOYSA-N 375.483 2.583 0 40 GFAB CCCCNC(=O)CN1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1 32722494 SQTREAJSMBOJKI-UHFFFAOYSA-N 375.444 2.554 0 40 GFAB Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)cc1 35876466 MOFSTHQFOMTBDF-OAQYLSRUSA-N 377.488 2.887 0 40 GFAB Cc1ccc(NC(=O)CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 36579918 VOZDARJBHSTPBA-DLBZAZTESA-N 379.460 2.521 0 40 GFAB Cc1nn([C@@H](C)CCNS(=O)(=O)c2cnn(C(F)F)c2)c(C)c1Cl 36614977 GFMSTTITRRXLFS-QMMMGPOBSA-N 381.836 2.675 0 40 GFAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cn2ccnc2)cc1 38831772 HESZCRZZJDTXKK-UHFFFAOYSA-N 390.487 2.694 0 40 GFAB C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1(Cl)Cl 40070943 KSGKLNDFPAHNFV-HNNXBMFYSA-N 377.218 2.833 0 40 GFAB O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCN(c2ccccc2O)CC1 40160541 CMZNINHRRITBSC-UHFFFAOYSA-N 395.488 2.765 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 43932062 FGUQYFLWKAGCRD-CQSZACIVSA-N 381.904 2.897 0 40 GFAB CN1C(=O)c2ccc(C(=O)N3CCC(N(C)c4ccccc4)CC3)cc2C1=O 47278881 FALQSZQXFTWNMT-UHFFFAOYSA-N 377.444 2.653 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)c1cccc(N2CCCS2(=O)=O)c1 48252794 ZALQTYVUOBOLQS-UHFFFAOYSA-N 397.456 2.835 0 40 GFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C[C@H](O)c2cccs2)CC1 49031216 CWJLDANWAUNRFQ-HNNXBMFYSA-N 388.518 2.691 0 40 GFAB CN(C)C(=O)Cn1ccc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc21 50533375 HZHJFINCFPYXKC-UHFFFAOYSA-N 393.415 2.809 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)N[C@H](C)c3nnc4ccccn34)CCC2=O)c1 52758707 LWVGKFGNMBQMBT-OAHLLOKOSA-N 390.447 2.706 0 40 GFAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 57426604 YJNZFHKZXNDQQW-UHFFFAOYSA-N 385.489 2.587 0 40 GFAB CCCCn1c(=O)c2sccc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O 57427353 ZKTSEBGBXCRMQV-INIZCTEOSA-N 397.500 2.829 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)C1CN(C(=O)COc2ccccc2F)C1 70637436 INAVWBMHVBIJHQ-INIZCTEOSA-N 384.451 2.800 0 40 GFAB Cc1csc(C(=O)Nc2ccc(-n3nnc(C(=O)N4CCCC4)n3)cc2)c1 71001893 AASXCRDFFWZMSW-UHFFFAOYSA-N 382.449 2.521 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)ccc1=O 72377199 IUISUDRISMZKGS-GOSISDBHSA-N 389.459 2.792 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)N(C)C)c2C)cc1 95116948 PXUATDBRBIZRCF-UHFFFAOYSA-N 396.534 2.687 0 40 GFAB COc1cccc2c1ccn2CCC(=O)NCCCc1nnc2ccccn12 95479911 TXTYFVAYHNDCDX-UHFFFAOYSA-N 377.448 2.832 0 40 GFAB Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 95958291 YPOOUNJSTCWNGD-INIZCTEOSA-N 382.468 2.781 0 40 GFAB C[C@@H]1CCCN(C(=O)c2ccc(N3CCN(Cc4cscn4)CC3)nc2)C1 95958803 NAHZMGYQEFZWPQ-MRXNPFEDSA-N 385.537 2.732 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2cc3ccccc3o2)cc1 96097292 YEQLCDNBBXOXNO-QGZVFWFLSA-N 388.445 2.793 0 40 GFAB COc1cccc2c(=O)c(C(=O)NCCCc3nc4ccccc4[nH]3)c[nH]c12 96231939 MVPLMTBJQCWRKK-UHFFFAOYSA-N 376.416 2.776 0 40 GFAB C[C@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546851 VQYZKSSGTGLXSA-LPHOPBHVSA-N 393.578 2.545 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@@H]23)cc1OC 102886594 VXPJBWYDQBVGJW-QFBILLFUSA-N 380.400 2.613 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCN1c1nccs1 206783529 PPPNGYGQBHBQIO-GFCCVEGCSA-N 387.914 2.752 0 40 GFAB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1N(C)S(C)(=O)=O 222467064 KRUUSRWQVHZNSU-UHFFFAOYSA-N 389.521 2.647 0 40 GFAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 223499398 OGNZLTQVFYYSJV-IBGZPJMESA-N 396.487 2.944 0 40 GFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)s2)cc1 224229345 LUXPZZFHQHZNBM-IACUBPJLSA-N 392.506 2.566 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2nnc(SC(C)C)s2)c1 225364126 HVKBJOWXDYJDLI-UHFFFAOYSA-N 375.497 2.857 0 40 GFAB O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccc(F)c(Cl)c1 225573188 KMYIICKNSVAFBO-ZDUSSCGKSA-N 392.949 2.975 0 40 GFAB O=C(Nc1nnc(S(=O)(=O)NC2CCCC2)s1)c1ccc(Cl)cc1 225737285 WYEUUMQIGANIHC-UHFFFAOYSA-N 386.886 2.665 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225928851 LYGLDQSAVNWQHO-INIZCTEOSA-N 390.505 2.810 0 40 GFAB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]21 248155455 YYVYQVXDOZCAFN-LRXVAGHRSA-N 382.508 2.671 0 40 GFAB COCCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(O)nc(N)nc2c1 257247724 JAEDVMXNJITEOI-GFCCVEGCSA-N 384.358 2.636 0 40 GFAB Cc1cccc(CN2CCC[C@@]3(CN(Cc4cn[nH]c4)CC(F)(F)C3)C2=O)n1 306141686 WDWYUUSEGMKBQQ-LJQANCHMSA-N 389.450 2.763 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409392573 RNRQOJMYNAJUJI-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB Cc1cc(=O)oc2cc(NC(=O)C[C@H](c3ccsc3)n3cnnn3)ccc12 524732839 SGXADSCXAOVXEZ-OAHLLOKOSA-N 381.417 2.768 0 40 GFAB O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 524735364 XRGCJIJHUVDILW-JTSKRJEESA-N 382.460 2.721 0 40 GFAB CC(C)C[C@@H](NC(=O)c1ncc2c(F)cccn12)C(=O)Nc1nccs1 528949591 UNAJSEWUPULQBS-GFCCVEGCSA-N 375.429 2.713 0 40 GFAB COc1ccc(CCNC(=O)N2CCCN(C3CCSCC3)CC2)cc1 575606832 MLPPIGUQXZRGOD-UHFFFAOYSA-N 377.554 2.851 0 40 GFAB C[C@@](O)(CNS(=O)(=O)c1ccccc1Br)Cc1ccsc1 618255695 WGGIZCRODWBQAS-AWEZNQCLSA-N 390.324 2.783 0 40 GFAB CN(Cc1ccccn1)[C@H]1CCCN(C(=O)NCc2cccc(C(=O)O)c2)CC1 635527042 ZBHIKUIIOVZSSP-FQEVSTJZSA-N 396.491 2.976 0 40 GFAB COc1ccc2c(c1)OCCN(C(=O)NC[C@H]1CCCN(CC(C)C)C1)C2 670143423 CXWBBXKOCPHAHC-QGZVFWFLSA-N 375.513 2.967 0 40 GFAB C[C@H](OC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)C(=O)O 2061000631 BLYKQUBHCYQPHU-AYMQEEERSA-N 390.432 2.650 0 40 GFAB Cc1cc(SCC(=O)N2CCN(C[C@@H]3CCCO3)CC2)nc2ccccc12 23718903 UJRYNTJYBXETFW-KRWDZBQOSA-N 385.533 2.959 0 40 GFAB CC(C)n1ncc2c(C(=O)N3CCN(C[C@H]4CCCO4)CC3)cc(C3CC3)nc21 23804964 BWBPAQLEYRHXNE-QGZVFWFLSA-N 397.523 2.826 0 40 GFAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)c1 954692 PCIQKFRDUPPQMS-SFHVURJKSA-N 376.420 2.918 0 40 GFAB CC[C@H](C)OC(=O)Cn1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O 958471 ZJOCRZLPIUQDSB-NSHDSACASA-N 380.466 2.921 0 40 GFAB COc1ccc(F)cc1COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 24281361 FVGDYVIDHWMSJT-UHFFFAOYSA-N 393.436 2.976 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2C)cc1 24207695 VACKMAZPUPQSER-HXUWFJFHSA-N 388.533 2.964 0 40 GFAB CNC(=O)c1ccc(CN(C)C(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 24683358 LBYCWVXCKMJFDE-UHFFFAOYSA-N 393.491 2.605 0 40 GFAB COc1cccc([C@@H](NS(=O)(=O)c2ccc(F)cc2C)c2nccn2C)c1 25043733 UNJQQUXFMDFMSK-GOSISDBHSA-N 389.452 2.944 0 40 GFAB CCOc1c(Cl)cc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1OC 25250047 UIAJCFOCGJOQSV-UHFFFAOYSA-N 398.868 2.788 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1 6529134 FFDDZGIJOLAHAQ-UHFFFAOYSA-N 384.910 2.985 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 6921033 FFFCLQNIVMMTCY-WNKDZCFJSA-N 385.851 2.868 0 40 GFAB CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)s1 7339404 JZNSZZZXADSVBO-UHFFFAOYSA-N 384.457 2.889 0 40 GFAB O=C(Nc1cccnc1N1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 56164461 WJAMYAIGDZUQMM-UHFFFAOYSA-N 389.839 2.985 0 40 GFAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H](C(C)(C)O)C2 8665386 MKWFKXIKUBABHP-MVMBAIFLSA-N 399.531 2.910 0 40 GFAB Cn1cc(S(=O)(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cn1 57931291 VVOXVGQGPWOSKS-GOSISDBHSA-N 377.416 2.961 0 40 GFAB CN(CC(=O)NC(C)(C)C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 58050725 SNLIVLPXQJJGQR-UHFFFAOYSA-N 384.505 2.998 0 40 GFAB O=C(C1CCCC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 58167676 SHNYVRDXUJRDCP-UHFFFAOYSA-N 376.464 2.630 0 40 GFAB Cc1csc(N2CCC(C(=O)NC[C@H](CC(C)C)N3CCOCC3)CC2)n1 58130921 HVYYPKGRCQMMQX-SFHVURJKSA-N 394.585 2.531 0 40 GFAB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 10969055 FVNHGUOLRVDFPI-CQSZACIVSA-N 386.473 2.708 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 22330508 CAOAKBPXILEIAK-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB O=C(N[C@@H](Cc1ccn[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2585976 GFIVRGPOWWPVDJ-IBGZPJMESA-N 377.400 2.944 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CSc3nnc(CC4CCCC4)[nH]3)nnc12 11886107 ODFGXNUAHFQFHX-UHFFFAOYSA-N 395.492 2.724 0 40 GFAB Cc1cc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)ccc1F 12911912 HPDRNSFVRLNWLM-UHFFFAOYSA-N 376.453 2.813 0 40 GFAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1 3625956 WGPKHZLZCIFUJG-UWJYYQICSA-N 389.496 2.504 0 40 GFAB CC(C)c1ccc(CN(C)C(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 9218643 KEZFLWTVURROHC-OAHLLOKOSA-N 399.516 2.896 0 40 GFAB CNC(=O)NC(=O)[C@@H](Sc1nnnn1-c1cc(C)ccc1C)c1ccccc1 6099001 SEAULHMGQPFDFE-INIZCTEOSA-N 396.476 2.568 0 40 GFAB COc1ccc(-c2cc3ccc(OS(C)(=O)=O)cc3oc2=O)cc1OC 4340284 HPBUOANOMVZNGZ-UHFFFAOYSA-N 376.386 2.816 0 40 GFAB biogenic C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C2=O 4515479 LITUCMKDDDWCKJ-UZUQRXQVSA-N 397.519 2.968 0 40 GFAB COc1ccc2nc(SCC(=O)N[C@H](Cc3ccccc3)C(C)=O)[nH]c2c1 6586542 ULIPZPBMNGUDHE-QGZVFWFLSA-N 383.473 2.980 0 40 GFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2c(C)noc2C)ccc1C 6509737 BKVNKTYUZZWLRR-UHFFFAOYSA-N 379.482 2.812 0 40 GFAB COCCn1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc21 6567136 GRGAXZUXVSIAEF-UHFFFAOYSA-N 383.473 2.660 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)n1nnc2ccccc2c1=O 6659828 UJSGTPOHZGWEJE-VIFPVBQESA-N 391.200 2.893 0 40 GFAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)NC(C)C 14731659 YQTVKVGHPXDHMQ-CQSZACIVSA-N 388.489 2.973 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1C 4778294 QPDWNSLIGFNGLG-HNNXBMFYSA-N 376.478 2.926 0 40 GFAB COc1ccc(Cl)cc1C1(CNC(=O)N2CCC[C@@H](O)C2)CCOCC1 67774235 JYEIOWWCGCWJOZ-OAHLLOKOSA-N 382.888 2.563 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 408705855 OUVIELHTDNIFCH-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(OC)c1 69074428 DYBSTZBLMWOTLG-RDTXWAMCSA-N 383.448 2.870 0 40 GFAB CCOCCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 17401454 DFUPFUPDDOCBIV-UHFFFAOYSA-N 377.491 2.729 0 40 GFAB COc1ccc(OCc2nnc(SCCC(N)=O)n2-c2ccccc2)cc1 8746151 WTFULCXILNXLGP-UHFFFAOYSA-N 384.461 2.822 0 40 GFAB CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1 98035991 MEJOHGFYZRRGKZ-OAHLLOKOSA-N 387.446 2.977 0 40 GFAB C[C@H](OC(=O)[C@H](C)CC(=O)c1ccccc1F)C(=O)NC(=O)NC(C)(C)C 95962757 NEJGBIQYQQGYPU-NEPJUHHUSA-N 380.416 2.591 0 40 GFAB Cc1cccc(N(CCC(N)=O)C(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)c1 95993174 YMQUKPLWYXTSFR-ZDUSSCGKSA-N 394.397 2.681 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408649942 ARBABJRIJJVMLF-QFACEVIFSA-N 382.460 2.839 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2ccccc2F)o1 553079457 RDZATFCQMYZTJP-XJKSGUPXSA-N 394.468 2.924 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1 25447257 OBYSKGYIFDNAEZ-NSHDSACASA-N 397.522 2.755 0 40 GFAB O=C(NCCCOC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 61255561 PQXIMANFTRQQIF-QGZVFWFLSA-N 394.537 2.553 0 40 GFAB CN(C)C(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccccn3)C(=O)C[C@H]12 306136853 QFBNFVGXDHALOY-NZQKXSOJSA-N 392.503 2.898 0 40 GFAB COCCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)c2ccccc21 524729775 JDCZNWGVVUQZIK-FUHIMQAGSA-N 395.503 2.761 0 40 GFAB biogenic COc1cccc(NC(=O)N2CCN(c3cc(C4CC4)ncn3)CC2)c1OC 211076257 DCORHQXGFNIZEU-UHFFFAOYSA-N 383.452 2.725 0 40 GFAB CCN(C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 79413325 CDLIHLGBXHENHR-OALUTQOASA-N 375.513 2.867 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2NC1=O 44672877 ABHSYVUBKPWSLB-JTQLQIEISA-N 376.459 2.775 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C(=O)NC(C)C 223882003 QIPQGPAVOYBLAO-UHFFFAOYSA-N 394.468 2.793 0 40 GFAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1cccs1 225141034 FYUJDHUWTSAHED-UHFFFAOYSA-N 397.474 2.683 0 40 GFAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220656448 ZCOHNRRBZLRIGP-GOSISDBHSA-N 394.468 2.695 0 40 GFAB CC[C@@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC)c(C)c1 223921591 MXFBMXKPWWPBHO-FGTMMUONSA-N 384.476 2.912 0 40 GFAB COc1ccc2cnn(CC(=O)Nc3cccc4[nH]ccc34)c(=O)c2c1OC 95472286 UVLKIAUMPZXWSA-UHFFFAOYSA-N 378.388 2.534 0 40 GFAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21 96053276 NEVIMWIUKNKBNJ-KRWDZBQOSA-N 379.460 2.759 0 40 GFAB Cc1nc2ccccn2c(=O)c1CCN[C@H](C)C1CCN(CC(F)(F)F)CC1 585085855 FCVHQMQOYCUXBI-CQSZACIVSA-N 396.457 2.798 0 40 GFAB FC(F)[C@H]1CN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CCO1 585080691 HRNZLNWNHLHELZ-QGZVFWFLSA-N 390.858 2.517 0 40 GFAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1cnn(C)c1)CC2 96036962 VXPPSKMCMQXSMC-UHFFFAOYSA-N 394.498 2.859 0 40 GFAB Cn1oc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1=O 585139828 AUWPNSWNOXJZDD-AWEZNQCLSA-N 384.354 2.989 0 40 GFAB Cc1ccc2nc(NC(=O)C3CN(c4cc(-n5cccn5)ncn4)C3)sc2c1 253472723 OPWJYBMOPAUKHL-UHFFFAOYSA-N 391.460 2.655 0 40 GFAB COc1ccccc1CC(=O)N1CC[C@@H](c2cn3cccc3c(N(C)C)n2)C1 257258142 KSMZUWUFPGYGJV-QGZVFWFLSA-N 378.476 2.968 0 40 GFAB Cn1nc2c(c1/C=C1\CCn3c1nc1cc(C(=O)O)ccc1c3=O)CCCC2 630951885 PQHLFXOJOAHAMQ-VAWYXSNFSA-N 376.416 2.651 0 40 GFAB O=c1c2sc(N3CCCC3)nc2ncn1C[C@@H](O)Cc1cccc(Cl)c1 1615580805 AEDITKXFCGFPEH-AWEZNQCLSA-N 390.896 2.710 0 40 GFAB O=C(CCc1ccon1)NC1(CNC(=O)C2(c3ccccn3)CC2)CCCCC1 1615611021 IGTKUNLULUEDDE-UHFFFAOYSA-N 396.491 2.669 0 40 GFAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)[C@H]1COc2ccccc2O1 96121656 NDMLOKRFCDRYIS-OAQYLSRUSA-N 390.443 2.779 0 40 GFAB O=C(CSc1ccc(F)cc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390829125 CVDBMZXNLMHIPD-JTQLQIEISA-N 388.390 2.950 0 40 GFAB O=C1NC2(CCN(C(=O)c3cccs3)CC2)[C@H]2CN(CC3CCCC3)C[C@@H]12 585106249 IERWUHWQSUCYNM-SJORKVTESA-N 387.549 2.591 0 40 GFAB O=C(/C=C/CN1CCOCC1)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 585290361 BWCFJJGJCCLDOK-XBGMYJNYSA-N 384.520 2.830 0 40 GFAB C[C@@H]1CC[C@H](C(=O)N2CCc3[nH]nc(-c4cccc5c4CN(C)C5)c3CC2)O1 585110313 DOBQAZIWDVCFED-JLTOFOAXSA-N 380.492 2.517 0 40 GFAB COc1cccc(-n2c(SCC(=O)N3CCC3)nc3ccccc3c2=O)c1 58377498 VKDWKEVUCAWSNH-UHFFFAOYSA-N 381.457 2.719 0 40 GFAB CO[C@@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1cccc(F)c1 96388597 HWCOVDIWWAIOPN-QOKNQOGYSA-N 383.485 2.828 0 40 GFAB Cc1nc(C)c(CC(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)s1 1615153272 BHEUZAFNSISWIA-NRFANRHFSA-N 399.516 2.727 0 40 GFAB COc1ccccc1NC(=O)N1CCC2(CC1)CC(=O)N(C)c1cc(C)nn12 1772596589 WOUGJMCKQMUBAJ-UHFFFAOYSA-N 383.452 2.590 0 40 GFAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12472182 QEQGJXVIQQFCLI-MSXDOFSLSA-N 388.533 2.767 0 40 GFAB Cc1ccc(C(=O)Nc2ncccc2O)cc1S(=O)(=O)N1CCCCC1 12522217 AOSWYDGXVKWIJZ-UHFFFAOYSA-N 375.450 2.523 0 40 GFAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccccc1)S(C)(=O)=O 13711090 WVLGLBMSYXQTRF-KRWDZBQOSA-N 392.477 2.887 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1 14374928 RBCVNTPQRGGPSU-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCc2ccccc2C1 15339011 KUNBCCIYQVOCHI-UHFFFAOYSA-N 384.501 2.978 0 40 GFAB Cc1nc2ccccc2n1CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16025632 QQAUCENVHPOCEA-DLBZAZTESA-N 376.460 2.542 0 40 GFAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 19238656 OYEFYPUJKICBII-KRWDZBQOSA-N 398.532 2.772 0 40 GFAB CNc1cc(CNC(=O)Cc2ccc(OC)c(F)c2)nc(-c2ccncc2)n1 19592322 XDSOKLLCELBSCG-UHFFFAOYSA-N 381.411 2.587 0 40 GFAB CCOc1ccc2oc(=O)cc(CSc3nc4c(=O)[nH]c(C)nc4n3C)c2c1 19625935 HKGMGNYXYYDNGH-UHFFFAOYSA-N 398.444 2.762 0 40 GFAB O=S1(=O)Cc2c(Cl)cccc2N1Cc1ccc(OCC(F)(F)F)nn1 655683478 SCVHRVGTUDOESZ-UHFFFAOYSA-N 393.774 2.921 0 40 GFAB O=S(=O)(c1ccc(Br)s1)N1CCn2nc(C3CC3)cc2C1 390831447 RWPMLRCIWOTPDU-UHFFFAOYSA-N 388.312 2.789 0 40 GFAB FC(F)(F)c1ccnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)n1 1888843561 XCVCDLWXCRWUKU-UHFFFAOYSA-N 394.401 2.506 0 40 GFAB CC1CCC(C(=O)N2CC[C@H]3C[C@@H](C(=O)N(C)Cc4ccccn4)O[C@H]3C2)CC1 1565548648 GSOSHKPRSIFSRV-YULUVSTGSA-N 399.535 2.872 0 40 GFAB CSc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940745 CGUILSITOPEEGB-LLVKDONJSA-N 376.459 2.580 0 40 GFAB Cc1nnc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)s1 11739479 GZZBCHMAFQWPLZ-UHFFFAOYSA-N 392.491 2.681 0 40 GFAB C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)C1 12438106 CYGSUXXNAZHIOM-IYBDPMFKSA-N 395.507 2.538 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 13792448 PYFQUHRKUXWVEE-CQSZACIVSA-N 383.470 2.702 0 40 GFAB C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)c1ccccc1 16851211 UFAWBLFUMWEVTJ-CYBMUJFWSA-N 396.472 2.894 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)/C=C/c1cccs1)C2 2055812535 RUQBIXHBIJKVOP-VZSQWMKGSA-N 387.530 2.773 0 40 GFAB Cc1ccc(NC(=O)C(=O)NCC2(c3cccs3)CCOCC2)cc1F 21690662 SUYZDAZLKNVDBN-UHFFFAOYSA-N 376.453 2.999 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575615926 HBJXHVXEYLRIKY-PMACEKPBSA-N 385.485 2.689 0 40 GFAB CN1c2cc(F)c(NC(=O)C3(c4ccc(F)cc4)CC3)cc2N(C)S1(=O)=O 575612906 ONLVDSRSAAKJPH-UHFFFAOYSA-N 393.415 2.766 0 40 GFAB CCOc1ccc(OCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 40001109 MEDXSXGWRGWSAT-MRXNPFEDSA-N 380.448 2.913 0 40 GFAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N(C)C)nc2)cs1 40132350 VIUIPWQWOCZHLU-UHFFFAOYSA-N 385.449 2.939 0 40 GFAB CC(C)C[C@@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCC1 40120968 XSAGRKUPGSSVCM-IBGZPJMESA-N 384.524 2.792 0 40 GFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(-c3cccnc3)on2)cc1 40105289 HXJYJDHCOVJJKO-FQEVSTJZSA-N 392.459 2.848 0 40 GFAB CN(Cc1cccs1)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 31529357 UWJMNDWSTRKYEX-JKSUJKDBSA-N 378.494 2.689 0 40 GFAB Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)c1C 101341771 KJUJXYXLZKIHKC-RTBURBONSA-N 397.519 2.517 0 40 GFAB Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)s1 32865092 NXEXCTWZONYLFF-CQSZACIVSA-N 381.523 2.991 0 40 GFAB CC(C)CCNC(=O)NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 32957461 ZOZVPGBMCNTKNS-UHFFFAOYSA-N 386.448 2.879 0 40 GFAB O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324735 WULIVKNILNZPAD-MRXNPFEDSA-N 378.425 2.535 0 40 GFAB CCn1cc(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1=O 79050699 VPMZZBIUHVCOAI-HUUCEWRRSA-N 378.473 2.826 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1 24990967 UAUVOLHNRRFGPG-UHFFFAOYSA-N 388.367 2.734 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc(NCCn3c(=O)oc4ccccc43)cc2)C[C@@H](C)O1 55895083 CAORCVMDUJAUGP-HZPDHXFCSA-N 395.459 2.956 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccco2)c(OC)c1 4937633 FWLNRONUOBRVJJ-KRWDZBQOSA-N 381.392 2.816 0 40 GFAB Cc1cc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)cc(C)c1Cl 6390105 LCWUJWVYFNYHFG-UHFFFAOYSA-N 391.880 2.948 0 40 GFAB CC(C)Cc1nnc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)s1 25871194 SIHKSGWFXLLUPO-UHFFFAOYSA-N 394.522 2.701 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccccc1 6678762 KVIBNEYEYKEPNT-UHFFFAOYSA-N 381.413 2.505 0 40 GFAB CCCCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 6778124 FUMYUVRLUWSEMS-UHFFFAOYSA-N 376.478 2.959 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)COC(=O)c1ccc(-n3cccn3)nc1)C2 102825830 ZLOCJSQKFOHSBC-MRUHUIDDSA-N 382.464 2.755 0 40 GFAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 58180963 LJPSBVNFNXDSHH-BLLLJJGKSA-N 378.432 2.724 0 40 GFAB CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2150760 SVCBOTIKJUIHHB-IUODEOHRSA-N 375.421 2.801 0 40 GFAB biogenic C[C@@H]1CCCN(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C1 27964829 OFEALPSEMDPPKK-MRXNPFEDSA-N 391.493 2.697 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1(N2CCOCC2)CCCCC1 58431368 ILKDMFJAXJTZOT-QGZVFWFLSA-N 395.544 2.537 0 40 GFAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)N[C@H]2COc3ccccc32)C1 58576472 XTLFWVMQUWISSB-RDJZCZTQSA-N 380.448 2.884 0 40 GFAB CC1(C)NC(=O)N(CCCC(=O)N2CCn3cccc3[C@H]2c2ccccc2)C1=O 45249335 CTQCXDCKZADYBM-LJQANCHMSA-N 394.475 2.530 0 40 GFAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)[C@@H]1CCC(=O)N1 2494331 FWVNESRONZZDRS-OXJNMPFZSA-N 391.537 2.583 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc(F)cc2F)c1C 29009244 DBKXQSMFSTYLDN-UHFFFAOYSA-N 398.431 2.849 0 40 GFAB COc1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc(Cl)c1OC 46421524 UFOSQUGPIXDHAK-CYBMUJFWSA-N 376.844 2.546 0 40 GFAB CCOC(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 109417746 NRVIZFVOKUAZSS-UHFFFAOYSA-N 387.436 2.584 0 40 GFAB Cc1ccnn1[C@H](C)C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 2778015 LZAKFXYFQWXNHC-CMPLNLGQSA-N 385.493 2.727 0 40 GFAB CCn1ncc([C@@H](C)NC(=O)c2cc3ncc(Br)cn3n2)c1C 2792369 GQQUOOSYISIVGA-SECBINFHSA-N 377.246 2.508 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1 12392702 ARBSMYKWEMDPSJ-UHFFFAOYSA-N 394.468 2.665 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(C)c2C)c1 12630414 RVTOJSPAPXQARX-UHFFFAOYSA-N 377.418 2.677 0 40 GFAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 12608569 MATQKAPSWYKMST-NSDYXAQKSA-N 395.503 2.801 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 48234883 AKCQCZDUWKOAIV-HNNXBMFYSA-N 391.427 2.967 0 40 GFAB COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 20236790 DXBRYPRNVAGLRO-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB Oc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 112000049 WKPLIBPYHUTSQM-INIZCTEOSA-N 393.794 2.889 0 40 GFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 28835519 UYTWUBPTBTYMLV-UHFFFAOYSA-N 376.478 2.871 0 40 GFAB COc1ccc(Cl)cc1C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 3497775 GIKPSHCCRUFWLC-NSHDSACASA-N 391.807 2.939 0 40 GFAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 3421723 CFCDKFSJQYXEHO-CQSZACIVSA-N 383.448 2.795 0 40 GFAB O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3549273 YUXZFPKLQCUVHS-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 3504705 HGTIYJRKONBXFH-WWGRRREGSA-N 376.478 2.728 0 40 GFAB CC(C)(C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccccc1 12924136 KMDUWCKBJBWTMX-UHFFFAOYSA-N 381.476 2.874 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(=O)Nc1ccc(C)cc1 12945522 PIJWSFZUOQVYLD-UHFFFAOYSA-N 383.448 2.936 0 40 GFAB Cc1cccc(CN2CCN(S(=O)(=O)c3cc(C(=O)O)ccc3C)CC2)c1 13309647 PESDJSFNQGFAPM-UHFFFAOYSA-N 388.489 2.508 0 40 GFAB CC(=O)c1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1Cl 96011072 UVYTWMIERHQLNN-UHFFFAOYSA-N 397.818 2.753 0 40 GFAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(c2ccccc2F)CC1 4192658 QAVSBTWJECRVSB-UHFFFAOYSA-N 380.423 2.657 0 40 GFAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1C 5155924 NLEIDEHKXUADNN-UHFFFAOYSA-N 381.480 2.711 0 40 GFAB O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCc2ccccc21 84536072 IFGUTIGXGBPOCG-UHFFFAOYSA-N 378.520 2.967 0 40 GFAB COc1ccc(-n2nc(C(=O)N3CCCC3)/c(=N/C(=O)c3ccco3)s2)cc1 5274606 DSCSFKSXEPBXIJ-ZZEZOPTASA-N 398.444 2.513 0 40 GFAB C[C@@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)N1c2ccccc2C[C@H]1C 14148211 SEDHUENNNSUOGG-HZPDHXFCSA-N 390.443 2.850 0 40 GFAB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 14185081 OZYMMPFWTYNLBA-UHFFFAOYSA-N 375.450 2.517 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)Nc2sccc2C(N)=O)o1 14200728 MVBZNUFJXVJFLD-UHFFFAOYSA-N 390.446 2.636 0 40 GFAB CN(Cc1cccc(F)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6602115 OMXCNBMWRCTGRT-OAHLLOKOSA-N 384.407 2.608 0 40 GFAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(S(C)(=O)=O)n2)cc1 4704923 NSUSHYDYRWWVGB-UHFFFAOYSA-N 385.493 2.927 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OC 20457746 BVMYCCHEQBGROO-UHFFFAOYSA-N 392.477 2.656 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3ccc(=O)oc3c1)CC2 7006318 ICONYMFCYPZFLF-UHFFFAOYSA-N 395.411 2.774 0 40 GFAB biogenic CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1cccc(C(F)(F)F)c1)C2=O 7407977 QQPITYIWDMAENM-UHFFFAOYSA-N 383.370 2.780 0 40 GFAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 16109295 ZEDKHEXGOUEUKI-SNVBAGLBSA-N 381.837 2.963 0 40 GFAB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 16512460 LDXVQLWDGXUFPK-OAHLLOKOSA-N 383.448 2.664 0 40 GFAB Cn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(F)ccc3F)nnc12 8704634 LMUUCYLKISCOAY-UHFFFAOYSA-N 386.383 2.834 0 40 GFAB CCOc1ccc(NC(=O)c2cc(C)on2)cc1S(=O)(=O)N1CCCCC1 8879758 SEKAYVCXANBNJJ-UHFFFAOYSA-N 393.465 2.809 0 40 GFAB CCN(CC)C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1CC 9096218 HFJFJNCLSXNJPJ-UHFFFAOYSA-N 376.482 2.697 0 40 GFAB C[C@@H](O)CCNC(=O)c1cc(I)cc(C(F)(F)F)c1 95960451 FEYYTIMLEWRLLW-SSDOTTSWSA-N 387.139 2.811 0 40 GFAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 23026267 RNODNJCPYAEYFO-UHFFFAOYSA-N 384.501 2.888 0 40 GFAB COCc1ccccc1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 68146895 XGHDMSTUYRBBRR-UHFFFAOYSA-N 378.425 2.764 0 40 GFAB O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)N1CC[C@@H](Oc2ccncc2)C1 510401628 IRQOTUNSJGZJHO-YVWKXTFCSA-N 397.450 2.653 0 40 GFAB COc1ccc(-c2noc(CCC(=O)N3CCC(Cc4ncc[nH]4)CC3)n2)cc1 513064765 RBUTUKHYWPLQJW-UHFFFAOYSA-N 395.463 2.882 0 40 GFAB O=C(O)COc1cccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c1 515856091 NHLDXKJGCMHQRA-UHFFFAOYSA-N 391.427 2.754 0 40 GFAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 33581667 VUNCTPBYRWTZNI-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 8197946 SVYHFIUVFJSAER-VNBZBWLYSA-N 387.432 2.665 0 40 GFAB biogenic Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCN(C(=O)Cn3cccn3)C2)n1 72384395 YDJKPKYALNQPRO-HNNXBMFYSA-N 381.411 2.929 0 40 GFAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1 30752609 VYFBBVBQJRWVFV-UHFFFAOYSA-N 393.896 2.528 0 40 GFAB COC(=O)c1nn(C)c(C)c1NC(=O)c1cccc(Cn2nc(C)cc2C)c1 72250764 QADSWBZNRWRXNE-UHFFFAOYSA-N 381.436 2.629 0 40 GFAB Fc1ccc(-c2nnc3sc(Cn4cccn4)nn23)cc1Br 49550664 NXGMBIPWUMMXCF-UHFFFAOYSA-N 379.218 2.999 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 40033537 XTNAEZHLWHITRC-HOTGVXAUSA-N 378.428 2.800 0 40 GFAB O=C(Cn1cc(COc2ccccc2F)nn1)NCCCc1cccc(F)c1 227168178 GQKXUJUIBSZDNX-UHFFFAOYSA-N 386.402 2.884 0 40 GFAB CCOc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225164124 KFHNOQMWVCCLSV-SFHVURJKSA-N 377.462 2.710 0 40 GFAB O=S1(=O)NCC2(CCN(CCc3ccccc3)CC2)COc2ccccc21 96145084 SZGIOXBQTGFIFY-UHFFFAOYSA-N 386.517 2.682 0 40 GFAB COc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)cc1OC 96114268 ZUDLQADXXGNWHV-UHFFFAOYSA-N 379.416 2.959 0 40 GFAB biogenic Cn1ccc2ccc(NC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)cc21 96116559 IXYAVSUFNBJOPW-SFHVURJKSA-N 390.443 2.670 0 40 GFAB biogenic COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1cc2cccc3c2n(c1=O)CCC3 96114994 BYBLQXVYQFTVPM-OAHLLOKOSA-N 395.411 2.610 0 40 GFAB biogenic Cc1nc(CN2CCOC[C@@]3(C2)CN(Cc2cccs2)CCO3)cs1 96049805 CKKXNDVIUVXYQS-GOSISDBHSA-N 379.551 2.616 0 40 GFAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 257202068 AKIBINSBYHFUTE-JLMWRMLUSA-N 380.492 2.819 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 39386115 YRGOZFGRJADWIU-HOCLYGCPSA-N 376.453 2.634 0 40 GFAB biogenic CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2c(C3CC3)cnn2C)cc1 622853831 PDACQUBTOGUUCZ-UHFFFAOYSA-N 390.509 2.603 0 40 GFAB Cc1cc(=NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)[nH]n1-c1cccc(C(F)(F)F)c1 652771067 UWGUFGDSOVXPHB-OLZOCXBDSA-N 394.397 2.852 0 40 GFAB CCN1CCN(C(=O)CO)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172769 RTWJRQALFLVGOK-HXUWFJFHSA-N 380.488 2.504 0 40 GFAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 585099730 FTIHGBDOVGAHIE-UHFFFAOYSA-N 381.451 2.805 0 40 GFAB CCc1noc(-c2ccc(C)c(NC(=O)N3CCC(n4cnnc4O)CC3)c2)n1 583515290 CNIOSPQQFDBZKK-UHFFFAOYSA-N 397.439 2.774 0 40 GFAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12)N1CCSCC1 1772595518 CLFZXWGIXUDUKS-AOIWGVFYSA-N 376.497 2.793 0 40 GFAB Cc1cc(-c2cn[nH]c2[C@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 12115932 SNMQUCWCZJVZLT-AWEZNQCLSA-N 385.493 2.930 0 40 GFAB CCc1nc2cc(NC(=O)Cn3cnc4sc(C)cc4c3=O)ccc2n1C 12116905 HJBHMGOBVHINLV-UHFFFAOYSA-N 381.461 2.854 0 40 GFAB CCSc1nnc(NC(=O)[C@H](CC)Sc2ncnc3nc[nH]c23)s1 13572974 LMEFARUUIZEBIK-ZETCQYMHSA-N 381.512 2.826 0 40 GFAB COC(=O)c1cc(NC(=O)c2cccc(N3CCCC3=O)c2)cc(C(=O)OC)c1 14797136 PNQNLFPCPQFPHN-UHFFFAOYSA-N 396.399 2.639 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)c1 19079327 QCHREHBMHBYQFG-FOIQADDNSA-N 396.491 2.604 0 40 GFAB COc1cccc(CN2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC 19567907 JESSVTLLUJSAGT-INIZCTEOSA-N 394.479 2.665 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 4338052 PCFFHFGMZBUXOR-CKEIUWERSA-N 396.390 2.661 0 40 GFAB O=C(NCC[C@@H]1CC1(F)F)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 621500474 RRSAHGLOYPXHJF-OCCSQVGLSA-N 379.386 2.744 0 40 GFAB CN(C)C(=O)c1cnc(C2CC2)nc1-c1ccc(CNC(=O)[C@H]2CCCO2)cc1 12325413 YTOVCVJSIMOKFT-GOSISDBHSA-N 394.475 2.518 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(C(=O)CCC(F)(F)F)CC3)cnc2c1 1848740009 VCUGENBJYBBXQK-UHFFFAOYSA-N 397.397 2.986 0 40 GFAB COc1ccccc1[C@H]1[C@@H](C(=O)OCC(N)=O)CCC(=O)N1c1ccc(C)cc1 6363026 VQGFLZLZPJWNIO-UWJYYQICSA-N 396.443 2.516 0 40 GFAB Cc1nc2ccccn2c1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 253472169 JXFFUVFMYSUOQM-UHFFFAOYSA-N 389.444 2.739 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)no1 4263027 RUFXKPADZXQIJG-UHFFFAOYSA-N 397.456 2.982 0 40 GFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4F)cnc32)c1C 4479193 WEGJNEYNHYDCGH-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 13695713 YJHQGKHKOAAIAT-FQEVSTJZSA-N 396.443 2.781 0 40 GFAB Cc1cc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)n2nc(C)cc2n1 1775974053 AUHNLTMJRWDERQ-UHFFFAOYSA-N 386.463 2.525 0 40 GFAB COc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)SCC4)cc1OC 49403639 FVDDPBMHYMJKEO-UHFFFAOYSA-N 383.429 2.772 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19078993 ISWFOHMFCFPULT-MAUKXSAKSA-N 396.491 2.652 0 40 GFAB Cc1c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cnn1-c1ccc(F)cc1 30567334 ZBXBIXZVEQTTOX-GASCZTMLSA-N 388.487 2.937 0 40 GFAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1 40118626 FUSSQBQXPHUWSS-CQSZACIVSA-N 393.871 2.818 0 40 GFAB CN(Cc1ccccc1)C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 40120479 ISDYJWDDGOUHBM-UHFFFAOYSA-N 393.531 2.858 0 40 GFAB C[C@H]1NC(C(=O)N[C@H](c2ccccc2)c2ccccn2)=NN(c2ccccc2)C1=O 32966579 IIZFEXFIKFZMPN-OXQOHEQNSA-N 399.454 2.626 0 40 GFAB CN(C)C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 32911882 DMQIIOLCHXIUHF-UHFFFAOYSA-N 381.723 2.817 0 40 GFAB CCC(=O)N(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 22472330 FFWJAARWRURSQJ-UHFFFAOYSA-N 384.480 2.614 0 40 GFAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCCCC2)CC1 22781126 WQJFNVVZZMOCFJ-SFHVURJKSA-N 396.535 2.759 0 40 GFAB O=C(NC(=S)Nc1ccccc1I)c1cccnc1 863609 VVVXKMKITVIHKB-UHFFFAOYSA-N 383.214 2.813 0 40 GFAB COC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C(=O)N(C)C)c1C 657048 PBVWWEHNUCDXHA-UHFFFAOYSA-N 381.841 2.846 0 40 GFAB COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 1381173 BXAYCYYHHNDRHL-SUMWQHHRSA-N 375.446 2.950 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1C 2647268 REMMSTFQAHHSNR-UHFFFAOYSA-N 381.384 2.589 0 40 GFAB NC(=O)NC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 3456161 PVBLQICLPCYEKJ-UHFFFAOYSA-N 381.310 2.801 0 40 GFAB COCCn1c(SCC(=O)NCC2CCCCC2)nc2ccccc2c1=O 3493615 PHTAJKADTVXGQL-UHFFFAOYSA-N 389.521 2.832 0 40 GFAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 3595290 OVWGXVOWEFKFCX-GOSISDBHSA-N 391.880 2.875 0 40 GFAB O=C(COc1cccc(-n2cnnn2)c1)NC(c1ccccc1)c1ccccc1 3606442 UHXVDPYVXVLGOG-UHFFFAOYSA-N 385.427 2.947 0 40 GFAB COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 4161488 UIIFZLYWCUVXMW-UHFFFAOYSA-N 388.449 2.924 0 40 GFAB CCOC(=O)[C@H]1[C@@H](c2cccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 4269869 BDOPAXJBLZPCLB-CKEIUWERSA-N 398.406 2.789 0 40 GFAB O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 4341993 JHJRATXJEBHTAT-UHFFFAOYSA-N 383.429 2.900 0 40 GFAB COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1cccc(F)c1 4738806 QLTRPGYMQLSRQS-GOSISDBHSA-N 399.422 2.947 0 40 GFAB O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 4858799 PKIJOMVFPQFHSP-GOSISDBHSA-N 393.472 2.595 0 40 GFAB CSc1nnc([C@@H]2CCCN(CC(=O)Nc3ccc(C(C)=O)cc3)C2)n1C 5001428 DDHZHVZNLARLGE-OAHLLOKOSA-N 387.509 2.558 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 5083324 QWHSXMDGGQBPEU-UHFFFAOYSA-N 391.427 2.986 0 40 GFAB CN(C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)C1CCCCC1 5703993 PSQYCJDNHGVTIO-UHFFFAOYSA-N 397.566 2.749 0 40 GFAB O=C(Cc1ccc(Br)cc1)OCc1cc(=O)n2ccsc2n1 5896482 GEYJOWYBZGLQOX-UHFFFAOYSA-N 379.235 2.804 0 40 GFAB O=C(COc1ncnc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 6839513 LABUSSICBRXXBT-UHFFFAOYSA-N 397.456 2.676 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 6949223 DVXVGUDWJMRAMQ-INIZCTEOSA-N 377.466 2.700 0 40 GFAB O=C(c1ccc2c(c1)CCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 8240368 POQQIHYCJQLYIP-UHFFFAOYSA-N 384.501 2.712 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)c1 8268894 RNNKNDKWLOWQFM-HNNXBMFYSA-N 386.423 2.555 0 40 GFAB CCOc1ccccc1NC(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9065660 BJPUONYGKKJZRK-AWEZNQCLSA-N 397.431 2.989 0 40 GFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c12 9114515 XSOXVBRRXIQNSN-UHFFFAOYSA-N 380.404 2.600 0 40 GFAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 9155713 HYUNYWHFLKSLRY-UHFFFAOYSA-N 391.471 2.822 0 40 GFAB CCCCc1ccc(Nc2nnc(SCC(=O)NCC(=O)NC)s2)cc1 9220820 HHSZTAYSNONXPZ-UHFFFAOYSA-N 393.538 2.579 0 40 GFAB COC(=O)c1ccccc1N1C(=O)C/C(=C/c2coc3ccccc3c2=O)C1=O 9476685 DWYTZRVZYDJTBH-RAXLEYEMSA-N 389.363 2.927 0 40 GFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2cccs2)no1 9647885 HLUKCUSPVQLXKC-SFHVURJKSA-N 382.401 2.528 0 40 GFAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)no1 11739467 RTJCVNPGCFRFKG-UHFFFAOYSA-N 375.435 2.818 0 40 GFAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nc(N)cc(N)n2)cs1 12536377 WEXACFWPVBCSME-UHFFFAOYSA-N 398.517 2.754 0 40 GFAB O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12881589 UTZPYSPIHZSLCM-UHFFFAOYSA-N 399.925 2.618 0 40 GFAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12918422 DKSIDNHXNJYWOY-UHFFFAOYSA-N 381.281 2.893 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)cc2NC1=O 12920600 MYDCQGDVNIXKPL-RYUDHWBXSA-N 383.379 2.537 0 40 GFAB Cn1c(=O)n(CC(=O)N(Cc2ccccc2)CC(F)(F)F)c2ccccc21 12927684 FKJBJGHVHWWSRH-UHFFFAOYSA-N 377.366 2.931 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1 13004999 IPONMSQIBOYOFV-UHFFFAOYSA-N 389.521 2.694 0 40 GFAB S=C(Nc1ccc2c(c1)OCO2)Nc1ccc(N2CCOCC2)c2nonc12 13323878 ILAFGOJEWBLWPL-UHFFFAOYSA-N 399.432 2.597 0 40 GFAB COc1cc2c(cc1NC(=O)CN1CCCC[C@@H]1C(N)=O)oc1ccccc12 14137838 YLDGHNOABCJSDT-MRXNPFEDSA-N 381.432 2.873 0 40 GFAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 14171490 FAKXPIYNVWSBAH-INIZCTEOSA-N 381.432 2.946 0 40 GFAB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 15276208 HNSNKMPSOKDMRK-LNZSQMCZSA-N 397.434 2.785 0 40 GFAB biogenic CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccccc1 15718473 GMWZSUQSYPMCCX-UHFFFAOYSA-N 376.503 2.618 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1=O 15842896 CXGAEZLFHFLJFM-NSHDSACASA-N 378.837 2.905 0 40 GFAB COc1cccc(C2=NC3(CCN(C(=O)c4ccccc4Cl)CC3)NC2=O)c1 15865134 SKSVDXUVYPBVLQ-UHFFFAOYSA-N 397.862 2.900 0 40 GFAB Cc1cc(C)c(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 17317530 OKUQHTRIIKWKCW-UHFFFAOYSA-N 388.533 2.923 0 40 GFAB CN1C(=O)COc2ccc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc21 19461753 MEQQNCBEWTZVQJ-UHFFFAOYSA-N 382.416 2.773 0 40 GFAB COc1cccc([C@H](NC(=O)Cn2c(C)cc(C)nc2=O)c2ccccc2)c1 19572378 YVPFBARFVRFBJR-OAQYLSRUSA-N 377.444 2.775 0 40 GFAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCOCC1 20218734 YURBTLDOILEQHJ-UHFFFAOYSA-N 377.794 2.829 0 40 GFAB Cc1c(C(=O)NCCCN2CCOCC2)[nH]c2ccc(Br)cc12 20567738 BLTMGTUSWYTHJY-UHFFFAOYSA-N 380.286 2.691 0 40 GFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@@H]2CCCC[C@@H]2C1 23428854 BWWYBRYBOWYFEM-GVDBMIGSSA-N 384.476 2.849 0 40 GFAB O=C1Nc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2N2CCC[C@@H]12 23990305 MAVFDMVSCYTRKC-NRFANRHFSA-N 390.487 2.566 0 40 GFAB CS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1 24983653 PXKIVKCSLQKCAE-UHFFFAOYSA-N 379.385 2.715 0 40 GFAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 25441323 WIIWYNCBGHXHMF-UHFFFAOYSA-N 375.331 2.592 0 40 GFAB COCCN(CCOC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 26228123 DFYFYNBYWOFSAV-FQEVSTJZSA-N 399.491 2.861 0 40 GFAB COc1ccccc1N1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 26392795 JBBPKIIKUYBWPV-GOSISDBHSA-N 388.537 2.891 0 40 GFAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 30216666 AFTUQCPOONZSBJ-LJQANCHMSA-N 392.459 2.693 0 40 GFAB O=C(O)COc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1 32595699 CRAXYIBZZXEEKE-UHFFFAOYSA-N 383.372 2.570 0 40 GFAB C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 32899550 DWJLHYNMKHORFE-IVKJLDKCSA-N 391.537 2.944 0 40 GFAB COc1c(Br)cc(Br)cc1/C=C1\NC(=S)NC1=O 33154960 NUQLGDQJSZAQGS-BAQGIRSFSA-N 392.072 2.565 0 40 GFAB CC(C)NC(=O)CN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 36390410 XZWCHFYNSSLODL-INIZCTEOSA-N 396.535 2.575 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)cc12 40060291 GLRALOKSFHOVNK-UHFFFAOYSA-N 398.366 2.823 0 40 GFAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1N)c1nnnn1-c1ccccc1 40127354 GALHWMMOAMMIBW-LLVKDONJSA-N 382.428 2.627 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)CC2=O)c1C 40155257 XSHXGCWYCNONCL-RXVVDRJESA-N 393.487 2.602 0 40 GFAB O=C(COc1coc(CN2CCCCC2)cc1=O)NCc1ccccc1Cl 44920543 NEDHNCDREZJLBY-UHFFFAOYSA-N 390.867 2.974 0 40 GFAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H]1CCCc2c1cnn2C 48333091 PLSCGBSJBARPFV-KRWDZBQOSA-N 385.464 2.984 0 40 GFAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 49976746 VZAAPOKVGPRIMD-UHFFFAOYSA-N 376.416 2.853 0 40 GFAB CCN(CC)C(=O)Cc1ccc(NS(=O)(=O)c2cc(C)ccc2O)cc1 57117565 NBORPUFADKFNFM-UHFFFAOYSA-N 376.478 2.912 0 40 GFAB C[C@@H](C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)S(C)(=O)=O 58222772 XAGNZCKJAAOCAX-VIFPVBQESA-N 379.388 2.880 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(F)c2)c1=O 64604822 GGPWTAZRWRQLRP-UHFFFAOYSA-N 380.379 2.647 0 40 GFAB CCCN1CCC(CNC(=O)c2nnn(-c3cccc4ncccc34)c2C)CC1 66833760 AXJKXPPRNHWQMH-UHFFFAOYSA-N 392.507 2.976 0 40 GFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 67081214 GSEBYPACXOOUJX-OFQRWUPVSA-N 375.469 2.608 0 40 GFAB CCOC[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OCC)C1 70924419 XFUMJTGPCNISDD-PKOBYXMFSA-N 388.508 2.965 0 40 GFAB CC(C)C[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 71332974 RISRROMVWBINST-LJQANCHMSA-N 393.443 2.679 0 40 GFAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 72321993 UFRAIFRPJPGXGA-KRWDZBQOSA-N 377.510 2.900 0 40 GFAB biogenic,in-vitro CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 72322158 KZLANJFHGDCLTM-INIZCTEOSA-N 377.510 2.684 0 40 GFAB biogenic,in-vitro CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CCCn1ccnc1)c1ccccc1O2 72327817 FQIKMYFASMJHHR-GCJKJVERSA-N 396.491 2.684 0 40 GFAB CCOCc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCN(C)C3)cc1 72373988 QBOFZIOUJFRCHM-GOSISDBHSA-N 383.496 2.627 0 40 GFAB CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)COC)C1 72396014 CTDYHWNKHXKVOY-QFIPXVFZSA-N 399.491 2.584 0 40 GFAB O=C1C[C@H]([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)Oc2ccccc21 72396469 JJWCNDMDQHIECJ-AUUYWEPGSA-N 376.416 2.616 0 40 GFAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1nc2ccccc2[nH]1 95479567 YBTSMSAFJUJBST-MRXNPFEDSA-N 384.509 2.820 0 40 GFAB COc1ccc(N2C[C@]3(CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 96238982 MLZZPWUPVKJCPD-JOCHJYFZSA-N 380.444 2.730 0 40 GFAB CS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(Cl)cc1 96518234 FQRZDIPXIWKQEE-SECBINFHSA-N 393.029 2.895 0 40 GFAB CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)c1ccccc1O2 97000392 PWCHRKQTWMZYAL-CQSZACIVSA-N 385.489 2.565 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100033303 JSNCTMPYZZLIKS-SJORKVTESA-N 397.822 2.580 0 40 GFAB Cc1nc(C)c(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)o1 100145755 ZFDNEUCJNXQZKE-IAGOWNOFSA-N 380.448 2.839 0 40 GFAB Cc1nc2cc([C@H]3C=CCN3C(=O)c3ccc4c(c3)OCCO4)nn2c(O)c1C 100208491 MDTATQUUZHOCJU-MRXNPFEDSA-N 392.415 2.576 0 40 GFAB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 100377075 PPIVCBCOLCHEFG-BHTHQVBYSA-N 387.741 2.554 0 40 GFAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCN(CCO)CC5)(C4)C2)C3)cc1 101120074 ZKIZNVPLEOOMPU-LMHXZZLNSA-N 382.548 2.970 0 40 GFAB CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 118917969 ANIDXNZCYPDMLG-FHEXCKPQSA-N 388.504 2.626 0 40 GFAB O=C(c1ccccc1)[C@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 170591590 PCFFHFGMZBUXOR-KEYYUXOJSA-N 396.390 2.661 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 220162573 SKGBDGTVWZOMDZ-CABCVRRESA-N 376.478 2.727 0 40 GFAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 222910898 LWUWNEPLBUCUSA-QGZVFWFLSA-N 398.503 2.842 0 40 GFAB O=S(=O)(Cc1ccccc1F)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 225661220 CIVUZEFVBBKILA-KRWDZBQOSA-N 386.452 2.861 0 40 GFAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccccc1Cl 225712025 JRVTUEIYFKJBQD-SFHVURJKSA-N 381.881 2.851 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225813400 COVNOXRCVAQWHE-INIZCTEOSA-N 390.505 2.955 0 40 GFAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)Nc1ccc2c(c1)OCC(=O)N2 226852052 PAZROZFCHJSZBZ-CQSZACIVSA-N 392.415 2.918 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1Cl 242420428 BIXRODMQVCPIFD-UHFFFAOYSA-N 388.917 2.522 0 40 GFAB Cc1ncc2c(n1)[C@]1(CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C1)COC2 247956833 MFHWULLYBLDWQX-FQEVSTJZSA-N 387.505 2.771 0 40 GFAB C[C@H](NC(=O)C(=O)NC[C@@](O)(c1ccsc1)c1ccco1)c1ccccc1 253472479 MPMMCCMWDALYRC-VBKZILBWSA-N 384.457 2.571 0 40 GFAB Cc1nonc1CC(=O)N1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257248435 JDRRKWMUSKVNLO-OAHLLOKOSA-N 381.436 2.679 0 40 GFAB CC(=O)NCC[C@@H]1CCCN(C(=O)c2ncccc2-c2cccc(CN)c2)C1 257255717 KIPFYFXPXMWVCA-KRWDZBQOSA-N 380.492 2.586 0 40 GFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1 408604032 GUVPXZACOJMYGL-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccnc(C)c2)CC1 527535069 POUSHHSLKRVKNI-UHFFFAOYSA-N 395.912 2.559 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575611164 AVNQNJMYEJWOGB-CQSZACIVSA-N 388.276 2.767 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)NCc3cn(-c4cccs4)nn3)CC2=O)cc1C 575615024 BKANONBHDXSZIL-HNNXBMFYSA-N 395.488 2.615 0 40 GFAB O=S(=O)(c1cccc2nsnc12)N1CCC(Oc2ccsc2)CC1 575617911 BATSMQHDQXTCHB-UHFFFAOYSA-N 381.504 2.985 0 40 GFAB C[C@@](N)(C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1)c1ccccc1 638603220 CBUATJDRCKJAEF-QFIPXVFZSA-N 398.507 2.619 0 40 GFAB CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc([C@H]2CCCNC2)nn1 640984613 RWVCGPWYYRIPLX-ZDUSSCGKSA-N 382.295 2.711 0 40 GFAB O=C(CCc1ccc[nH]1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542438 ZXDBNAJMQLERMT-IRLDBZIGSA-N 383.492 2.957 0 40 GFAB CCn1cnc2c(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)ncnc21 1888890281 JOVLDRDVOPGQMM-UHFFFAOYSA-N 377.374 2.587 0 40 GFAB O=C(c1ccc2nccnc2c1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888922158 FWCXRJNXAAGQMH-QVKFZJNVSA-N 393.422 2.880 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1I 1001219 RYTRSSBARKHQCC-UHFFFAOYSA-N 391.596 2.939 0 40 GFAB COc1ccc(C[C@H](NC(=O)c2ccc(O)nn2)c2ccc(OC)cc2)cc1 23951157 YISVDKGLFVXWMJ-IBGZPJMESA-N 379.416 2.913 0 40 GFAB Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O 71286641 BGSWKSPKZLCEOY-GFCCVEGCSA-N 399.813 2.998 0 40 GFAB Cc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2nccs2)cc1 4848329 ABJDSHZPAUBVOX-UHFFFAOYSA-N 388.493 2.728 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2O1 6032709 FKBMVZZDSBCYBK-UHFFFAOYSA-N 399.399 2.690 0 40 GFAB Cc1ccc(C)c(OCCC(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 6034065 WFAYNWLFWDWEQC-UHFFFAOYSA-N 384.432 2.642 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)[nH]2)cc1 6160602 QUDWBFHXKSWWCH-NSHDSACASA-N 383.429 2.829 0 40 GFAB O=C(NC1CCN(Cc2ccncc2)CC1)c1cccnc1OCC(F)(F)F 57167173 RIIYOMVBASXTMJ-UHFFFAOYSA-N 394.397 2.812 0 40 GFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 57478721 XGVFUEFLWFMDQZ-UHFFFAOYSA-N 381.816 2.676 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2nc3ccccc3s2)c1=O 57525789 RBWMOYLVEQOILI-UHFFFAOYSA-N 394.456 2.822 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 8158259 YBMIVHUKZWWHQF-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c(C)c1 8732534 PBYKZCNBVIZCIL-OAHLLOKOSA-N 382.416 2.758 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1Cl 95998658 LGSAAFQSLCLSON-CYBMUJFWSA-N 396.900 2.763 0 40 GFAB Cc1ccc(CSc2nc(=O)n([C@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1 27795590 MPIUYSBIPKDDCN-HNNXBMFYSA-N 390.530 2.692 0 40 GFAB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1CN1C(=O)CNC1=O 10643086 YQGSQEGHWYANSQ-MRXNPFEDSA-N 381.457 2.705 0 40 GFAB Cc1cc(S(=O)(=O)n2ccnc2)c(Br)cc1Br 54363001 WAQQQSXDTRVZCZ-UHFFFAOYSA-N 380.061 2.954 0 40 GFAB Cc1ccc2nc(-c3ccc(NC(=O)C[C@H]4NCCNC4=O)cc3)sc2c1 2437356 BGBJYHNTQSYZEJ-MRXNPFEDSA-N 380.473 2.688 0 40 GFAB COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C 2664244 DNVHRUHYWZKFMW-UHFFFAOYSA-N 398.459 2.918 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1Cc2cc(Cl)ccc2O1 23642287 RAZJGNRHTIVQMD-GOSISDBHSA-N 378.900 2.795 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccccc1 12767316 FQFKPFHKHCOBAY-QGZVFWFLSA-N 382.395 2.749 0 40 GFAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCNC(=O)c1ccccc1 12700510 CUDZKFDHBWZESM-PZJWPPBQSA-N 377.488 2.949 0 40 GFAB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)Nc1ccc2c(c1)OC(F)(F)O2 101325777 MINNPQRPEVZPEU-GHMZBOCLSA-N 395.358 2.885 0 40 GFAB CC(C)CCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 12897487 MEUHSGZBAZOQMP-SFHVURJKSA-N 384.480 2.573 0 40 GFAB biogenic O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1ccccc1 12900148 UBNYIHAJWPMMHF-UHFFFAOYSA-N 377.444 2.818 0 40 GFAB biogenic C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C(F)(F)F)c1 12974354 VOXIPJSSFORXBX-LLVKDONJSA-N 391.349 2.586 0 40 GFAB O=C(O)c1csc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)n1 3768016 XYLIBXOEELNSOD-UHFFFAOYSA-N 385.426 2.804 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3Cc3c(F)cccc3Cl)no2)cn1 96001798 NOGDNFWWMMYQCK-OAHLLOKOSA-N 377.807 2.836 0 40 GFAB C/C(Cl)=C\Cn1c(=O)n(C/C=C(\C)Cl)c(=O)n(C/C=C(\C)Cl)c1=O 13512417 YXGAVWIWBOCAET-ZDLWVMOESA-N 394.686 2.600 0 40 GFAB COCC(=O)N[C@@H]1CCCC[C@]12CN(Cc1cc(-c3ccccc3)on1)CCO2 306143296 XYBZVRCLZGGZAP-IRLDBZIGSA-N 399.491 2.618 0 40 GFAB O=C(Cc1ccc(F)c(Br)c1)NC1CCN(CC(F)F)CC1 65564584 DBVZKHNRRSWRMS-UHFFFAOYSA-N 379.220 2.976 0 40 GFAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 65591133 RIZQKCHHVUBTAY-RDTXWAMCSA-N 398.532 2.791 0 40 GFAB Cn1c(CCC(N)=O)nnc1Sc1nc(-c2ccccc2)nc2ccccc12 14198682 TXYGNQGVLCAFGO-UHFFFAOYSA-N 390.472 2.994 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCc2ccccc2C1 6542177 HDGDWYGUGQRTOG-LJQANCHMSA-N 390.480 2.714 0 40 GFAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1cccc(F)c1 4738807 XMWVMZAPQQPXSW-QGZVFWFLSA-N 385.395 2.638 0 40 GFAB COc1cc(C)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1OC 6785428 UVHRZYWPIUEYFR-UHFFFAOYSA-N 379.416 2.870 0 40 GFAB NC(=O)COc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 66686805 OQVXPOZRASXBAK-QGZVFWFLSA-N 392.814 2.557 0 40 GFAB Cc1ccccc1N(CC(=O)NCCCn1ccc2ccccc21)S(C)(=O)=O 9471013 RQJFVPQHLIRXDC-UHFFFAOYSA-N 399.516 2.922 0 40 GFAB C[C@H](NC(=O)CN(C)CCN(C)C1CCN(C)CC1)c1cccc2ccccc12 95409010 PCKYWESQCVFRJE-IBGZPJMESA-N 396.579 2.975 0 40 GFAB COc1ccc(CCNC(=O)COc2ccc(F)cc2C(C)=O)cc1OC 5936981 GAUYLYNPONBKCF-UHFFFAOYSA-N 375.396 2.783 0 40 GFAB CCN(CC)C(=O)[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 7187058 HICFKNLYEUKYAJ-SFHVURJKSA-N 389.473 2.857 0 40 GFAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(-n4cnnn4)cc3)c2cc1C 7250429 IKCJDFHGAZVSND-UHFFFAOYSA-N 376.372 2.743 0 40 GFAB CCOc1ccc2oc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c(C)c2c1 7778100 HMPWGKHLAZWWCM-GOSISDBHSA-N 386.448 2.603 0 40 GFAB CCc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 409235780 BOSSOXYYBONRIQ-SFQUDFHCSA-N 379.416 2.789 0 40 GFAB CCn1c(C)cc(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c1C 8734135 UPJONLSHWIKAQA-UHFFFAOYSA-N 389.525 2.863 0 40 GFAB C[C@H](OC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(F)cc1 9052986 SPVZWISBVVZLMD-LBPRGKRZSA-N 376.359 2.579 0 40 GFAB CC(C)N(C)Cc1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 95390012 LUIYIUHNIKGPGR-PXNSSMCTSA-N 375.538 2.597 0 40 GFAB CSc1nc(NN2C(=O)CCC2=O)c2c3c(sc2n1)COC(C)(C)C3 20100306 XXVAHLAFYGMWIG-UHFFFAOYSA-N 378.479 2.740 0 40 GFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)C1CCCC1)S(C)(=O)=O 20104546 WCNYIGSRXJNZRY-GFCCVEGCSA-N 388.917 2.904 0 40 GFAB CN(C)CCCN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32095864 JODYIIIFUHCLMB-GOSISDBHSA-N 378.904 2.516 0 40 GFAB Cc1ccsc1CN1C[C@@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@H]2C1 306128372 GYQOAJMPIUDIPW-HOCLYGCPSA-N 397.504 2.790 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(C1CCC1)C[C@@H]2c1cccnc1 306141426 VVQFIAMMUKICLE-TZIWHRDSSA-N 383.517 2.893 0 40 GFAB CCn1cc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)c(C)n1 36619075 QGOALCZVQRFFAI-UHFFFAOYSA-N 393.426 2.727 0 40 GFAB COc1ccccc1Cc1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 72357876 IAZYOIZUHQNKOA-GOSISDBHSA-N 375.494 2.624 0 40 GFAB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)N1CCN(c2ccccc2)CC1 36635266 WOAWMOCSFOFPFF-SFHVURJKSA-N 395.484 2.994 0 40 GFAB COc1ccc2nnc(CCC(=O)Nc3nnc(C4CCCCC4)s3)n2n1 71288117 XXVCYZNLXPHBDD-UHFFFAOYSA-N 387.469 2.603 0 40 GFAB CN(C(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1)c1ccccc1 71288865 UEUPTXJTPQBCLW-UHFFFAOYSA-N 376.372 2.704 0 40 GFAB Cc1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 216257379 QUHOPUQETITBHA-UHFFFAOYSA-N 375.494 2.510 0 40 GFAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 72374717 CJWBGAXCXVPJSO-MRXNPFEDSA-N 392.463 2.674 0 40 GFAB COCCn1ccc2c(NC(=O)[C@H](c3ccccc3)n3cnnn3)cccc21 71284113 NMJGRVWBLHXCSP-IBGZPJMESA-N 376.420 2.502 0 40 GFAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1nccs1 223566185 IDRISAMKCZZPMF-SJORKVTESA-N 399.545 2.910 0 40 GFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc2ccccc2c1 222802831 OJCREISVDRDQRZ-UHFFFAOYSA-N 394.452 2.691 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccccc1C 96518288 BSNDHHRSVJLXRV-LLVKDONJSA-N 386.638 2.940 0 40 GFAB CCN1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)c3cccc(OC)c3)CC[C@@H]12 96145334 HMQGMSYVNMLTBV-NFBKMPQASA-N 399.535 2.634 0 40 GFAB COc1ccc2cnn(CC(=O)Nc3ccc4ccn(C)c4c3)c(=O)c2c1OC 95477788 CWFZRXBYVSVULR-UHFFFAOYSA-N 392.415 2.544 0 40 GFAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2ccc3cc[nH]c3c2)C1=O 96222469 ASDZSGMQGKEULM-KRWDZBQOSA-N 392.415 2.626 0 40 GFAB biogenic Cc1nc(NCCNC(=O)COc2ccc(Cl)cc2)cc(-n2cccc2)n1 90607809 ONEPVUPEQYAQKU-UHFFFAOYSA-N 385.855 2.836 0 40 GFAB CCCc1nnsc1C(=O)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390831558 SNAQRVMLDYMZCR-CYBMUJFWSA-N 385.536 2.554 0 40 GFAB CC(C)c1ccc(-c2csc(N3C(=S)N[C@@H]4CS(=O)(=O)C[C@H]43)n2)cc1 575426183 OBNZQCGGUSBYNS-HUUCEWRRSA-N 393.559 2.794 0 40 GFAB CCCn1c(=O)c2ccccc2n(Cc2nc(Cc3cccc(F)c3)no2)c1=O 823024256 IXTCKUXPJRSGJT-UHFFFAOYSA-N 394.406 2.734 0 40 GFAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 72334392 WOUMALYEFHMQBI-XUZZJYLKSA-N 391.515 2.758 0 40 GFAB CN(C)[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1cccc(F)c1 58323644 YYPMJMNDZIYYJE-KRWDZBQOSA-N 387.480 2.684 0 40 GFAB COc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 57355207 ANWSBUUTFLMDSI-INIZCTEOSA-N 397.475 2.616 0 40 GFAB COC(=O)[C@@H](C)Sc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 5107376 JCWFOEQJLGMOFF-LLVKDONJSA-N 377.466 2.951 0 40 GFAB CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c12 5271989 PVCHQPUQHUWYNL-LLVKDONJSA-N 395.550 2.833 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1 12208835 MMQJZNLLSKQSJB-JOCHJYFZSA-N 393.443 2.590 0 40 GFAB Cc1ccc(=O)n(CC(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 12228240 XSXOTNUYPOTTPV-HNNXBMFYSA-N 388.518 2.787 0 40 GFAB Cc1ccn2c(CNCCc3c[nH]cn3)c(C(=O)N3CCCCCC3)nc2c1 12301170 UTHVAIKGDYGEQD-UHFFFAOYSA-N 380.496 2.714 0 40 GFAB COc1ccc(CCNCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC 13998433 XWEPIBZMLQFWQB-UHFFFAOYSA-N 382.416 2.606 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(Cl)cc2)cc1 14313211 ZVQGTSALLROIKF-UHFFFAOYSA-N 396.896 2.628 0 40 GFAB COC(=O)c1cc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)cc(C(=O)OC)c1 15582094 FSRMZBFINJOTQZ-AATRIKPKSA-N 399.399 2.929 0 40 GFAB COc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19590391 QYZLCXYERKQKQV-SFHVURJKSA-N 394.519 2.812 0 40 GFAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@H]1c1nnc2n1CCNCC2 19710623 TXGIHMWLTJQOHX-INIZCTEOSA-N 384.871 2.536 0 40 GFAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccccc4F)C[C@@H]32)c(OC)n1 12233341 KLYXFBQXSRRBAX-XXHMAFKTSA-N 387.455 2.753 0 40 GFAB O=S(=O)(c1ccc2c(c1)N(C1CCCCC1)[C@H]1CCCN21)N1CCOCC1 5636530 JCHRNRUDCPAMPB-FQEVSTJZSA-N 391.537 2.787 0 40 GFAB Cn1nccc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037844251 QWAMHVWWKDECFY-AZUAARDMSA-N 382.508 2.532 0 40 GFAB O=C(COc1ccccc1)Nc1nnc(SCC(=O)NC2CCCC2)s1 4328278 IRJIUMHDLYERKT-UHFFFAOYSA-N 392.506 2.707 0 40 GFAB CCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 5329055 LFZCAALMTLODHT-UHFFFAOYSA-N 380.491 2.590 0 40 GFAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1Cl 8863687 QQSQJEGTUUUDSA-CQSZACIVSA-N 381.885 2.768 0 40 GFAB COC(=O)c1ccc(CSc2n[nH]c(=O)c3cc(-c4cccs4)nn23)o1 16844034 BLZOXMNBQPHXEK-UHFFFAOYSA-N 388.430 2.818 0 40 GFAB COc1ccc(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22579388 HQVPKZNEZJFBSW-QFIPXVFZSA-N 399.510 2.872 0 40 GFAB O=C(CSC1CCCC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775972978 ABWDDJCWRPUWFY-UHFFFAOYSA-N 387.427 2.951 0 40 GFAB O=C1CC[C@H](C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)CN1 1889967512 ATXNBNJWABPTDX-KRWDZBQOSA-N 378.476 2.739 0 40 GFAB Cc1ccc(-n2nc3c4cc(C(=O)N5CCOCC5)ccc4[nH]cc-3c2=O)cc1 101282069 IOUBNHBRYHZRSQ-UHFFFAOYSA-N 388.427 2.599 0 40 GFAB CC[C@@]1(C)CC2=C(CO1)S[C@@H]1N=NN(CC(=O)Nc3nccs3)C(=O)[C@H]21 35323886 VQINPRLEKIENQI-WWGRRREGSA-N 393.494 2.823 0 40 GFAB CN1CCC[C@@H](C(=O)N2CCc3nc4ncc(Br)cc4cc3C2)C1 2298048614 NBVWIPSBCUUHEA-GFCCVEGCSA-N 389.297 2.619 0 40 GFAB CC(C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)N(C)C 30611034 AOTSBPGFQRCWKC-FQEVSTJZSA-N 378.476 2.702 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1c(F)cccc1F)CC(=O)N2 31810217 ADUQYWSJVKHAKN-SECBINFHSA-N 381.346 2.599 0 40 GFAB COc1ccccc1CCC(=O)NCCNC(=O)c1cc2ccccc2n1C 32091665 FJEIMFMZTSXYMU-UHFFFAOYSA-N 379.460 2.666 0 40 GFAB NC(=O)[C@H]1CC(C(=O)Nc2cccc(OC(F)(F)F)c2)=NN1c1ccccc1 32770925 OPLLUQCYFOSOQG-OAHLLOKOSA-N 392.337 2.644 0 40 GFAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 32778259 ADIQFVQCTJRGBF-UHFFFAOYSA-N 388.431 2.571 0 40 GFAB CCCCCCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825586 ZMJXHNZJJWGYRY-UHFFFAOYSA-N 391.287 2.639 0 40 GFAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCc2nc(-c3cccs3)no2)on1 21913881 WKYKBFKZUNAHTP-JTQLQIEISA-N 376.394 2.598 0 40 GFAB CC(C)C(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 22384449 RZXPVGIDKRLMPU-UHFFFAOYSA-N 386.471 2.782 0 40 GFAB CCOc1ccc(C(=O)NC(=S)Nc2nc(C)c(C(=O)OC)s2)cc1 680944 PZEFIBYFAKFERL-UHFFFAOYSA-N 379.463 2.764 0 40 GFAB O=C(CCc1ccc2ccccc2c1)N1CCN(CC(=O)N2CCCCC2)CC1 54133953 MQLBOVHONMNAOB-UHFFFAOYSA-N 393.531 2.929 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 932398 CIFMGNVGVDJEST-UHFFFAOYSA-N 383.433 2.684 0 40 GFAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NCc1ccncc1 79075543 GHPKRQFRGGACJI-UKRRQHHQSA-N 378.473 2.641 0 40 GFAB CS(=O)(=O)c1ccc(-n2nnnc2CN(CC2CCC2)c2ccccc2)cc1 79053421 MFALGMMVJHJRNN-UHFFFAOYSA-N 397.504 2.873 0 40 GFAB CC(=O)c1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1 4945376 DBUZPRVLSZXEQW-UHFFFAOYSA-N 375.431 2.624 0 40 GFAB CCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7387476 RAVJJLKSSITBBO-UHFFFAOYSA-N 383.798 2.830 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 7940162 BYPDGBLPHXJUNU-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB COc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)[nH]c(=S)[nH]c1=O 10140276 MWUGPKLOJVHYNH-UHFFFAOYSA-N 381.885 2.994 0 40 GFAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26539915 PKCCFYRFRCMHAU-UHFFFAOYSA-N 390.443 2.559 0 40 GFAB Cc1cc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc(C)c1Cl 102077230 LTDXGLOQYGSKQK-GBALJZQLSA-N 385.847 2.915 0 40 GFAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 48275449 RNXNCWBMRGWJGT-SOUVJXGZSA-N 392.475 2.572 0 40 GFAB COC(=O)CCc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 48237705 HLFGKRSSWVJVEI-CYBMUJFWSA-N 379.400 2.755 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 12772736 OJJRGALSIMJOBM-FQEVSTJZSA-N 381.428 2.957 0 40 GFAB O=c1c2ccsc2ncn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 48368578 QWDRDKTYUMZVPF-UHFFFAOYSA-N 378.339 2.501 0 40 GFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1cccc(Cl)c1 12890842 WPOBWQIFHGEJCS-HXUWFJFHSA-N 383.835 2.565 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1F 3438942 CRZUXSLUELTVEU-UHFFFAOYSA-N 379.367 2.807 0 40 GFAB O=C(OCc1cnn(-c2ccccc2)c1)c1cccc(N2CCCS2(=O)=O)c1 12977981 HDKPFDWYXXNJLR-UHFFFAOYSA-N 397.456 2.769 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1 9154766 KJMZGRQATPEIMM-UHFFFAOYSA-N 379.457 2.975 0 40 GFAB COc1ccc(CNC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)cc1 4107313 QLPNZDZXFDXHHR-UHFFFAOYSA-N 388.371 2.601 0 40 GFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@@H]2C=Cc3ccc4cccnc4c3N21 13654188 IDRVIQXMNRIGPG-DODZYUBVSA-N 389.455 2.808 0 40 GFAB Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1C 13757142 GLVGFYRZKDXPNQ-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 39998317 MBRSKGRQZBYSHB-CYBMUJFWSA-N 380.491 2.501 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CCN(c2ccccc2)CC1 6383979 WQMNIPZXOYTHMW-UHFFFAOYSA-N 377.444 2.602 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC[C@@H]1CCCO1 6329172 MUXXOVAWYUDEMT-HNNXBMFYSA-N 397.566 2.635 0 40 GFAB C[C@@H]1CCCCN1CCNC(=O)NCc1cc(Br)c2c(c1)OCO2 95376631 IJGHFKINKZVCBF-GFCCVEGCSA-N 398.301 2.851 0 40 GFAB C[C@@H](NC(=O)CSc1nnnn1-c1ccccc1)c1ccc(F)cc1F 9389111 CDWFKERATFEQJS-LLVKDONJSA-N 375.404 2.910 0 40 GFAB Cc1cc(C)cc(-n2ccnc2SCC(=O)NCc2nnc3ccccn23)c1 9377176 RWHQSSWKUOOTFW-UHFFFAOYSA-N 392.488 2.940 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccc(C(F)(F)F)c1 14790120 VKFDCEFVERHDGM-GJZGRUSLSA-N 382.382 2.887 0 40 GFAB C[C@H](OC(=O)c1csc(S(N)(=O)=O)c1)c1ccc(OC(F)F)cc1 84651581 YRSOJCRTSPLMMI-QMMMGPOBSA-N 377.390 2.915 0 40 GFAB C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cccc2nsnc12 66934673 DRCOSNSQEOWHOQ-SWLSCSKDSA-N 375.475 2.842 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 24812477 NVWVLOVLBOVGJN-NRFANRHFSA-N 395.503 2.742 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2)C1=O 6936470 JOJGVXUFPUJZED-OAQYLSRUSA-N 379.416 2.685 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 4999915 NVGAVOSSSDOZHB-UHFFFAOYSA-N 391.349 2.841 0 40 GFAB NC(=O)[C@H]1CCCN1[C@@H](C(=O)O)c1c[nH]c2ccc(OCc3ccccc3)cc12 80350414 QPDFYGBRIGZVIP-WOJBJXKFSA-N 393.443 2.822 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)NC)c1)O[C@@H](C)C2 16302710 SUQZUXIAANXYEF-LBPRGKRZSA-N 390.461 2.569 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(F)c1)c1ccc2c(c1)OCO2 113943499 XKGOHQLKJXCWHP-UHFFFAOYSA-N 394.424 2.739 0 40 GFAB COc1cc(OC)c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1OC 18006958 MRQGBKCSANFLNI-UHFFFAOYSA-N 376.384 2.562 0 40 GFAB O=C(Cc1ccccc1)NCC(=O)N1CCC(CCc2ccc(O)cc2)CC1 8746218 NHKPQHJABAHOHF-UHFFFAOYSA-N 380.488 2.922 0 40 GFAB COCCN(C(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CCS(=O)(=O)C1 70719517 AIKANDCGGQYPRD-OAHLLOKOSA-N 385.551 2.683 0 40 GFAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc2ccccc12 9676875 JELFUZWFIBLEJU-UHFFFAOYSA-N 392.459 2.639 0 40 GFAB Cc1sc(NC(=O)Cn2nnc3ccccc3c2=O)nc1-c1ccccc1 9025597 CUXCAQULLSFYTD-UHFFFAOYSA-N 377.429 2.862 0 40 GFAB CCOc1ccccc1N1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1 96888427 UKSJLGIRYGUGOF-KRWDZBQOSA-N 378.480 2.944 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1C 408611484 WJSJNQDVMTYQIX-MRXNPFEDSA-N 390.505 2.719 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccccc1I 408759013 WLTLCAWGSNRSSL-JSBGKLSNSA-N 391.208 2.849 0 40 GFAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc12 945244 AQQSKAPNJWFLNT-KBXCAEBGSA-N 395.411 2.681 0 40 GFAB biogenic O=C(O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 32585659 NLVJQHFTDGXJJA-UHFFFAOYSA-N 375.324 2.970 0 40 GFAB Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)cnn1-c1ccccc1 526052476 ILYNJBAHKMOSIH-UWVAXJGDSA-N 378.476 2.654 0 40 GFAB COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 408560753 PVIDCRVYJSXEKZ-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)c(OC)c1 408647499 JJSYRXVRORQLCH-GDBMZVCRSA-N 397.427 2.871 0 40 GFAB O=C(c1ccc(=O)oc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 36704697 KUPYIOPXXWPKER-UHFFFAOYSA-N 381.457 2.721 0 40 GFAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(S(=O)(=O)C(C)C)C2)n1 72363648 TVHIUVLICNCZCD-HNNXBMFYSA-N 375.498 2.841 0 40 GFAB CS(=O)(=O)c1ccc(-c2cccc(CO[C@H]3CCOC3)c2)c(C(=O)O)c1 566807505 CVVQRQAWICJRKS-HNNXBMFYSA-N 376.430 2.761 0 40 GFAB CN1CC[C@@H](N2CCC(NC(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)C1=O 565386864 RVUNUVXRWWZALW-GOSISDBHSA-N 391.943 2.720 0 40 GFAB CCN(CCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccccc1C 40108170 LGTBAMQUQSKBFO-UHFFFAOYSA-N 389.521 2.931 0 40 GFAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccccc2)S3(=O)=O)cc1Cl 225938216 SMZXMOVLDJUPIO-KZULUSFZSA-N 392.864 2.896 0 40 GFAB CC(C)Oc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222420254 JJGFABLKUGVQPV-UHFFFAOYSA-N 376.478 2.800 0 40 GFAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c2cccnc12 223322173 SOLHESJSGHYMLR-UHFFFAOYSA-N 385.401 2.787 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCc2onc(COc3cccnc3)c2C1 96260078 KNVHNDJOMBEGCY-UHFFFAOYSA-N 385.445 2.537 0 40 GFAB CN(C)C(=O)c1sc2nc([C@H]3CCCN3Cc3cnccn3)ccc2c1N 257344918 ZZFLRWOBJRIUJM-OAHLLOKOSA-N 382.493 2.707 0 40 GFAB O=C(CC1(O)CCCCC1)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 257219928 DIVWSZAXOROJDU-SFHVURJKSA-N 397.479 2.600 0 40 GFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC(c2ncc(C(=O)O)s2)CC1 630246142 QBFMXHHMKKUBCM-JTQLQIEISA-N 376.482 2.701 0 40 GFAB CC(=O)N(CC(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1)c1ccccc1 640259139 OCYOVXCZISKUIU-GOSISDBHSA-N 379.460 2.551 0 40 GFAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4[nH]c5ccccc5c4C3)[C@@H]2N1 67142120 CBXOPGGSUUGLQL-QWFCFKBJSA-N 398.532 2.778 0 40 GFAB biogenic Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CCCC1(F)F 673377854 LEKCVHFSUPMQQC-GFCCVEGCSA-N 389.358 2.910 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831617 SWWABAXCMOYENB-JCOOBLOPSA-N 399.468 2.817 0 40 GFAB Cc1cc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)nc(C(C)C)n1 27017194 CUDJZTNNGAGRAA-UHFFFAOYSA-N 379.464 2.941 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)cc1 575402730 GDMFWOLLLXNZGQ-MRXNPFEDSA-N 376.503 2.718 0 40 GFAB Cn1c(=O)ccc2ccc(NC(=O)N3C[C@@H](CO)[C@H](c4ccsc4)C3)cc21 580467950 UWQZMRWRKYCJLM-RDJZCZTQSA-N 383.473 2.840 0 40 GFAB COC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C(Br)=C(Br)[C@H]21 5029372 BZSYQMTXYCTLNO-JPFOUYRMSA-N 392.043 2.540 0 40 GFAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)C4=COCCO4)CC3)nc12 5240069 HAWQKBMZOOZICS-UHFFFAOYSA-N 379.869 2.795 0 40 GFAB COCC(=O)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 12120565 CLPDBHMLJHEBPI-GOSISDBHSA-N 395.507 2.881 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 13134010 FZBAMBKNOAPLID-CHWSQXEVSA-N 377.238 2.647 0 40 GFAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 16601498 GQDVAUDLJPWGMJ-OAHLLOKOSA-N 378.538 2.881 0 40 GFAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1 16638481 AJGVKQOBIVDMIU-UHFFFAOYSA-N 376.906 2.666 0 40 GFAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)Cc2cccc(C)c2)C3)CC1 19234805 BKPCOFVMJXVAHJ-UHFFFAOYSA-N 392.503 2.638 0 40 GFAB CCOc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 19533382 ZBFRTMMKPMBZJS-UHFFFAOYSA-N 382.508 2.963 0 40 GFAB Cc1ncsc1C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 19562032 GLKBLXAAVFZULY-UHFFFAOYSA-N 385.445 2.518 0 40 GFAB CCN(CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)Cc3nnc(N)s3)cc2)C1 19711854 LONATWUNUBBHKY-CVEARBPZSA-N 389.525 2.863 0 40 GFAB CCn1nc(C(=O)NCc2ccccc2N2CCCC2)c2ccccc2c1=O 19716920 NWULTKIPPUUEIH-UHFFFAOYSA-N 376.460 2.947 0 40 GFAB COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O)cc2)cc1 8473683 CYHNIYRVRREXMH-UHFFFAOYSA-N 385.372 2.538 0 40 GFAB CCOc1ccc(CCNC(=O)c2ccc(CNC(N)=O)cc2)cc1OCC 21556111 RMEAWGAWJFUCDO-UHFFFAOYSA-N 385.464 2.625 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 1888979415 DSGHFHYMYJZQNG-ROUUACIJSA-N 394.500 2.528 0 40 GFAB Cn1cc(CC(=O)N2CC(Cn3cc(Br)cn3)C2)c2ccccc21 1889224996 VEARICDBWOJQJT-UHFFFAOYSA-N 387.281 2.838 0 40 GFAB Cc1ccc(CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1 4139169 TUVAORRAVAYYRV-UHFFFAOYSA-N 394.456 2.888 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1 4325688 KPUNZRDMIRTBOM-UHFFFAOYSA-N 375.381 2.678 0 40 GFAB COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 9040526 OEXIIBQKQQDNIM-QGZVFWFLSA-N 397.475 2.865 0 40 GFAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3ccccc3F)nn2)no1 11027498 MOFOHVOAEKGEJN-UHFFFAOYSA-N 387.396 2.895 0 40 GFAB Cc1cc(C(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)n(C)n1 12229393 QUKRCSGCMYXUCQ-UHFFFAOYSA-N 379.436 2.825 0 40 GFAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCN(CC)CC3)c(O)n2n1 22578051 YVHCBCINRHNQAP-INIZCTEOSA-N 389.500 2.925 0 40 GFAB COc1ccc(-c2noc(CN3C(=O)COc4cc(C)ccc43)n2)cc1OC 23126084 MMDKSYCRNYZMME-UHFFFAOYSA-N 381.388 2.988 0 40 GFAB Cc1cc(O[C@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nc(C)n1 575609516 MMUPSLGDTXBGKG-INIZCTEOSA-N 384.436 2.575 0 40 GFAB C[C@@H](C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)c1ccccc1 585148536 WKAVLSZSCMDCAG-CYBMUJFWSA-N 397.397 2.608 0 40 GFAB COc1ccccc1NC(=O)CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 2298120554 SGYUXPHOROOVCQ-HNNXBMFYSA-N 395.450 2.603 0 40 GFAB COc1ccc(Cl)cc1-n1c(N)c(C(=O)N2CCOCC2)sc1=S 12416077 IAKMBIPWXBIDNQ-UHFFFAOYSA-N 385.898 2.985 0 40 GFAB COC(=O)n1c(CSc2nnnn2Cc2ccccc2)nc2ccccc21 30952764 VVKNGAQTKGAJFC-UHFFFAOYSA-N 380.433 2.978 0 40 GFAB CCOC(=O)COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1 40074593 ODWSQLYZWXKBIW-INIZCTEOSA-N 376.453 2.604 0 40 GFAB CC1(C)Cc2cccc(OCCNC(=O)c3ccc4c(c3)OCC(=O)N4)c2O1 40081722 MIBILNAHZVLXJN-UHFFFAOYSA-N 382.416 2.540 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 40158726 BLXOOYZHUUHPRT-GOSISDBHSA-N 384.407 2.987 0 40 GFAB CN(Cc1ccccc1Cl)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 31166511 YZOPFMMFZOJNNI-SFHVURJKSA-N 383.945 2.689 0 40 GFAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCN(C(=O)c2ccccc2)CC1 100682098 RFVXRMRDKBDNOD-YUOVDFJASA-N 382.504 2.692 0 40 GFAB O=C(Cc1csc(-c2cccc(F)c2)n1)NS(=O)(=O)C[C@H]1CCCCO1 102141315 RIMIQXAVWSJZMD-OAHLLOKOSA-N 398.481 2.507 0 40 GFAB CC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 32797183 ZYILKYCPXJHYEM-GFCCVEGCSA-N 381.436 2.890 0 40 GFAB CN(C)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1cccc(F)c1 22754669 KJRVWWSSPIJYJQ-SFHVURJKSA-N 385.439 2.933 0 40 GFAB COC(=O)c1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)cc1 850617 KYICEHZBCJETES-UHFFFAOYSA-N 389.205 2.901 0 40 GFAB COc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCOCC2)cc1 23974142 HHWJJDRZUKIGQK-FQEVSTJZSA-N 384.476 2.572 0 40 GFAB CCOC(=O)C1=NO[C@H](c2cc3c(c(OC)c2Br)OCO3)[C@H]1C 12412891 ODWJTUZFEIWPAS-MADCSZMMSA-N 386.198 2.813 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 24098435 ZROQRPKRLYMIFL-MRXNPFEDSA-N 388.464 2.616 0 40 GFAB O=S(=O)(NCCc1cn2ccccc2n1)c1ccccc1OC(F)(F)F 24471870 KWBOJMHGVKLKQU-UHFFFAOYSA-N 385.367 2.754 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)Oc1ccccc1 1576254 IBPGOHOPKSDPAT-IRXDYDNUSA-N 388.464 2.983 0 40 GFAB Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1 1276659 WLRSDRCLJRFWOZ-UHFFFAOYSA-N 393.470 2.967 0 40 GFAB O=C(OC1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3193231 KACNDHQWPAVNTM-CQSZACIVSA-N 395.506 2.720 0 40 GFAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 3024860 WXSRQBVARWOGJU-UHFFFAOYSA-N 392.452 2.716 0 40 GFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)C1 12542018 YYSUYIADQSHFML-GASCZTMLSA-N 376.478 2.876 0 40 GFAB CCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 6595708 KCVAJGXQUPPMFF-UHFFFAOYSA-N 394.468 2.944 0 40 GFAB COc1ccc(CNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 27348741 BPWTVLKZNMOGMU-UHFFFAOYSA-N 375.450 2.557 0 40 GFAB Cc1n[nH]c(=S)n1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 12547753 CWVCWEUQLPOADT-UHFFFAOYSA-N 394.460 2.948 0 40 GFAB CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 57731093 CIHMSIAVMKQSTN-IFXJQAMLSA-N 387.480 2.741 0 40 GFAB Cc1nc(C)n(C[C@@H]2CN(C(=O)c3occc3COc3ccccc3)CCO2)n1 72303618 FCEVGMDGHTYVPL-IBGZPJMESA-N 396.447 2.608 0 40 GFAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)O)ccc12 2102276 CDGKEIVKDFXPPQ-UHFFFAOYSA-N 375.421 2.804 0 40 GFAB biogenic CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)c1 58407754 MPSYTASYTIIHBS-QOIOWGMHSA-N 375.513 2.956 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1N1CCCC1=O 20460066 PHUOXJBGQMIRPN-UHFFFAOYSA-N 382.388 2.901 0 40 GFAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)N(C)C)c1 20244562 DHSZSQVMQQZCND-KRWDZBQOSA-N 389.521 2.794 0 40 GFAB COc1cc(C2(C(=O)N3CCC(c4ccnn4CCO)CC3)CC2)ccc1C 95444569 XQRAFZMXCKQDHI-UHFFFAOYSA-N 383.492 2.630 0 40 GFAB COc1cccc2cc(C(=O)OCC(=O)Nc3cc(F)ccc3F)c(=O)oc12 3227499 OUZDZBJXLXHEDS-UHFFFAOYSA-N 389.310 2.875 0 40 GFAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12745811 YUOGBUQNQQVXNA-LLVKDONJSA-N 385.295 2.810 0 40 GFAB CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)C[C@H](C)C2 10157644 ZVEKIUZPHVOTAT-CQSZACIVSA-N 381.480 2.619 0 40 GFAB COC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10361246 BFVFAGHNNLOINP-HNNXBMFYSA-N 376.478 2.869 0 40 GFAB COc1ccc(COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 12867272 ROUFORMCJOLHSX-SPLOXXLWSA-N 388.464 2.875 0 40 GFAB COc1ccc(OC)c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 22526397 WYMDZSSQWPDELD-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB O=C1CN(c2ccc(NC(=O)NCc3ccccc3F)cc2Cl)CCN1 48561039 VVOOOWKHYMXCNU-UHFFFAOYSA-N 376.819 2.737 0 40 GFAB O=c1cc(NC[C@@H](O)COc2cccc(Cl)c2Cl)nc2ccccn12 63266994 BBIBVMRJETUNOX-LLVKDONJSA-N 380.231 2.853 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc(Cl)c1)O2 38833852 VMNCWAUBPXZFHW-MRXNPFEDSA-N 380.853 2.814 0 40 GFAB COC(=O)c1ccsc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 13324284 PSNLTGNRKNYNJW-UHFFFAOYSA-N 393.896 2.949 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1ccc2cn[nH]c2c1 13683235 UYCJOXZCDMIETO-UHFFFAOYSA-N 389.506 2.931 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccc2O)N1Cc1ccncc1 13693629 KNHDSTLDZWISEX-NQIIRXRSSA-N 396.468 2.636 0 40 GFAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc2c(c1)OCO2 13961506 IKPSDVICGRGORB-RDTXWAMCSA-N 389.429 2.791 0 40 GFAB O=C(CCCn1nnc2ccccc2c1=O)Nc1cccc(Br)c1 5244959 KANYBBBDHOYQDL-UHFFFAOYSA-N 387.237 2.973 0 40 GFAB Cc1ccc(C(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 65474898 ZOCIOTJZUQRXSW-UHFFFAOYSA-N 381.428 2.771 0 40 GFAB Cc1cc(I)cc(C)c1NC(=O)CSc1ncn[nH]1 4419055 WOQBBJWAWMEERC-UHFFFAOYSA-N 388.234 2.757 0 40 GFAB COc1ccc(CC(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1OC 5666133 IOADDOUQTDNWHZ-HNNXBMFYSA-N 383.444 2.763 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 6905361 ZOVAZXDQYOPZNE-UHFFFAOYSA-N 386.517 2.966 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)cc1 4999517 COFNYQAQWICOLR-NSHDSACASA-N 387.461 2.555 0 40 GFAB COC(=O)/C(=C\Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 67340305 WWYMEJVXJPNBLD-CXUHLZMHSA-N 395.820 2.969 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3)c(Cl)c2)C1=O 15858311 XBXOFAZXAWNYIP-GFCCVEGCSA-N 392.864 2.583 0 40 GFAB O=C1CCCc2nc(NC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)sc21 68002307 GVAVIJDQHSLWPF-OAHLLOKOSA-N 383.473 2.834 0 40 GFAB CNC(=O)c1cccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 7806654 HGNJNQXACQCFNP-QGZVFWFLSA-N 387.505 2.727 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1 8164150 IHCYPLZRLMSWEN-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)NCCc3ccc(F)cc3)CC2=O)c1 8268880 RNNKNDKWLOWQFM-OAHLLOKOSA-N 386.423 2.555 0 40 GFAB O=C(Nc1ccncc1O)[C@H]1CC(=O)N(c2ccccc2Br)C1 95394591 JDRJNPUOFOILPA-JTQLQIEISA-N 376.210 2.541 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)NC1CCN(Cc2ccccc2)CC1 17363030 SJJSOJSQHDGWTN-UHFFFAOYSA-N 393.487 2.583 0 40 GFAB Cc1ccc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 9888956 HLUCHQCCYVATOY-UHFFFAOYSA-N 392.546 2.832 0 40 GFAB Cc1ccn2cc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)nc2c1 9919433 ZVIMFCCSUBIKQK-UHFFFAOYSA-N 376.460 2.811 0 40 GFAB Cc1nncn1-c1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 89740973 OWNNJDRNKKDRDW-UHFFFAOYSA-N 388.431 2.774 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20485730 JSCWEJGQITVSQW-UHFFFAOYSA-N 382.869 2.992 0 40 GFAB CC[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)cc1 20111030 ONEMSDDYASYQLE-KRWDZBQOSA-N 394.468 2.868 0 40 GFAB Cc1noc([C@@H]2CC[C@H](CN(CCCc3ccccc3C)S(C)(=O)=O)O2)n1 547681494 DEIJYRWHPGHDIG-MSOLQXFVSA-N 393.509 2.801 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 408700937 OPJBUAPRNATEIH-MPGHIAIKSA-N 392.521 2.788 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12 211110429 RBJGVGVBOWXFRS-UHFFFAOYSA-N 391.420 2.685 0 40 GFAB Cc1cc(C)cc(N2C(=O)CN(Cc3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080519 WPRZLVRZOQZGIH-LEWJYISDSA-N 398.528 2.626 0 40 GFAB COC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218220760 ZKJMIFCSCOFZLW-ULQDDVLXSA-N 396.306 2.733 0 40 GFAB CSc1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cc1 238813790 AYKAHNYEXPWQMQ-HDICACEKSA-N 384.501 2.503 0 40 GFAB NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 40287043 BVHSYLRVQZJCRY-AWEZNQCLSA-N 380.379 2.999 0 40 GFAB Cc1cn(-c2ncccc2F)nc1NC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 568384884 USNYTYHSFLIJBR-KRWDZBQOSA-N 399.470 3.528 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 77184838 LHQDMZNOKKCRTP-GOSISDBHSA-N 399.896 2.629 0 40 GFAB CCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 242523651 BXUWIQGFWBLRRE-UHFFFAOYSA-N 380.441 2.625 0 40 GFAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCCc2ccc(N(C)C)cc2)c1 257298012 RJTAHKJPRAGTBJ-UHFFFAOYSA-N 391.519 2.972 0 40 GFAB CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515601 MDNFTNZDUVDPFZ-XUVXKRRUSA-N 375.490 2.617 0 40 GFAB CC1(C)CN(C(=O)NCC2(S(C)(=O)=O)CCCC2)CCc2ccccc21 664886114 XABLARZLUNHLKJ-UHFFFAOYSA-N 378.538 2.889 0 40 GFAB O=C(COc1ccccc1F)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104411 HLSNTSPOJOAZEK-UHFFFAOYSA-N 383.828 2.543 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(OCC(F)(F)F)C3)cc2)co1 390826432 KWUUJFIQRKRGDR-UHFFFAOYSA-N 376.356 2.602 0 40 GFAB COc1cccc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)c1 585105557 ZTHHGQAXRWAOKN-SFHVURJKSA-N 377.506 2.839 0 40 GFAB Cn1ncc(C2CC2)c1S(=O)(=O)Nc1ccc(C(=O)O)c(C(F)(F)F)c1 952885654 LGXHUIVMPQIPIX-UHFFFAOYSA-N 389.355 2.815 0 40 GFAB O=C(NCCc1cn2ccccc2n1)c1ccc(NC(=O)c2ccccn2)cc1 40115976 BWRAWJLEPKJPAQ-UHFFFAOYSA-N 385.427 2.954 0 40 GFAB COc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1 89481716 XVWJSJOAXREVFX-UHFFFAOYSA-N 382.432 2.625 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615159187 OOKGEVLGPULHBQ-IBGZPJMESA-N 389.452 2.629 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)ccn1 1615122012 OVFPZPQVAAGBLF-JOCHJYFZSA-N 397.450 2.957 0 40 GFAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NC1CCCCCCC1 5426881 RABSGLUOLUVUEK-IBGZPJMESA-N 383.492 2.995 0 40 GFAB COc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OC 5438568 ZFPHETALNXPCMR-UHFFFAOYSA-N 390.461 2.886 0 40 GFAB CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 5443575 VVWZCNDPQKCPSJ-UHFFFAOYSA-N 392.502 2.682 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 5576570 UYWPEJQZRMYOPO-HNNXBMFYSA-N 382.416 2.864 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cccs3)CC2)cc1 5001925 OORWHZHJEBRIMN-UHFFFAOYSA-N 378.519 2.887 0 40 GFAB COc1ccccc1[C@]1(O)CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 12147526 NVFVCQNMUCTGFR-NRFANRHFSA-N 378.432 2.604 0 40 GFAB Cc1cc(NC(=O)CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)no1 12633840 JASNBFCWAQMVDP-NSHDSACASA-N 385.453 2.927 0 40 GFAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)cc1 13690975 ZURABEBDPOGDND-UHFFFAOYSA-N 379.807 2.692 0 40 GFAB COc1ccc(CC(=O)N[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C(C)C)cc1 19445643 VTRSVJLREKNDGQ-NRFANRHFSA-N 392.459 2.897 0 40 GFAB CN1CC[C@@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 19587902 BMAKGQJUFCIKLX-QGZVFWFLSA-N 395.482 2.739 0 40 GFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3cnn(C)c3)c2)cn1 19690993 XSHZAHQTOZGEJO-NRFANRHFSA-N 390.491 2.882 0 40 GFAB Cn1cnc2cc(C(=O)N[C@H](CCN3CCOCC3)c3ccccc3)ccc21 19718650 MVLJNDVOGRVLEW-LJQANCHMSA-N 378.476 2.767 0 40 GFAB C/C(=C/C(=O)O)C(=O)Nc1cccc2c(NC(=O)/C(C)=C/C(=O)O)cccc12 1703874 HNFHTVOEORASEX-DSOJMZEYSA-N 382.372 2.779 0 40 GFAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(C3CCCCC3)o2)cc1 10881955 FOEXKQWQNWQBTG-UHFFFAOYSA-N 393.465 2.928 0 40 GFAB CCn1cc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2ncccc2C)cn1 12229671 SGXDILYDEGACGS-INIZCTEOSA-N 376.507 2.930 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1C 15866648 CTPACHDZLXFPNM-LRDDRELGSA-N 375.494 2.911 0 40 GFAB O=C(Cc1ccccc1F)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19348089 PKLQYRRELVLBLB-CWRNSKLLSA-N 393.413 2.889 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1 6017586 BRMYJAPDIZPEFT-UHFFFAOYSA-N 381.457 2.837 0 40 GFAB CCc1cc(N2CCC(Cn3cnc4cc(OC)ccc4c3=O)CC2)ncn1 1889186714 MUHNWZNDSUZAFE-UHFFFAOYSA-N 379.464 2.674 0 40 GFAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)CC(=O)Nc1c(C)cc(C)cc1C 23996045 ANVWKPPTHOITTB-HXUWFJFHSA-N 396.491 2.679 0 40 GFAB CCCCSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1 2712584 PNJHWKYCEKNDFE-UHFFFAOYSA-N 378.454 2.514 0 40 GFAB COc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)c1 4165808 TYOJEERSFIIXKZ-UHFFFAOYSA-N 389.415 2.538 0 40 GFAB Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)c(C)c(=O)[nH]1 12127156 WKJWONDBNZYVET-UHFFFAOYSA-N 393.447 2.776 0 40 GFAB COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1 13695718 LCHWGFPTDCFUHG-HXUWFJFHSA-N 396.443 2.781 0 40 GFAB COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850571 BQNAWBHHGMODJY-HNNXBMFYSA-N 399.472 2.861 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 17170120 TYSSHSCGVFIMOY-ZDUSSCGKSA-N 394.474 2.659 0 40 GFAB COc1cccc(NC2(C(=O)N(C)C)CCN(Cc3csc(C)n3)CC2)c1 2055750884 IMNMNDOUECLOTB-UHFFFAOYSA-N 388.537 2.995 0 40 GFAB O=C(COc1ccccc1)N1CCC(Oc2ncc(Br)cn2)CC1 1775975418 GXMRFAHXINXLQT-UHFFFAOYSA-N 392.253 2.688 0 40 GFAB COc1ncc(NC(=O)Nc2ccc(C)cc2Cl)c(N2CCOCC2)n1 206731541 GNLODNHYCYTQEO-UHFFFAOYSA-N 377.832 2.928 0 40 GFAB COc1ccc(-c2nnc(NC(=O)c3cnc4ccccc4n3)o2)c(OC)c1 42381270 OUEILTFUBIISBS-UHFFFAOYSA-N 377.360 2.949 0 40 GFAB O=C(C1CCN(c2ccc(C3CC3)nn2)CC1)N1CCN(c2ccccc2)CC1 585150024 ZPDRMGRNMBGFCO-UHFFFAOYSA-N 391.519 2.919 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@](C)(O)c1ccc2c(c1)OCO2 77200845 MSYTVEYGJBVCNK-NRFANRHFSA-N 397.406 2.592 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc2c(c1)CCO2 40069434 ZZUWRHHFQQVSDI-UHFFFAOYSA-N 398.440 2.945 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC1=NCCS1 40042672 VADWXIWCUKROFM-UHFFFAOYSA-N 393.465 2.768 0 40 GFAB CN(C)S(=O)(=O)c1ccc(COC(=O)C2(c3ccc(F)cc3)CCC2)o1 50629112 GSYGJNLEZFOLSS-UHFFFAOYSA-N 381.425 2.834 0 40 GFAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc2c(c1)OCCCO2 31722493 HWWLSCORDPRFOQ-UHFFFAOYSA-N 385.445 2.894 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32319948 CYMNEERPLXBWTK-AWEZNQCLSA-N 383.473 2.559 0 40 GFAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1 21624479 MULUJSXDIBRSKR-OCCSQVGLSA-N 394.518 2.973 0 40 GFAB COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 32973823 CABRAULVMYUVSI-UHFFFAOYSA-N 388.445 2.522 0 40 GFAB CCOc1nc2ccccc2nc1N1CCC(C(=O)NC[C@H]2CCCO2)CC1 33088300 PVRBPHRZKATILB-MRXNPFEDSA-N 384.480 2.540 0 40 GFAB COC(=O)c1sc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nc1Cl 53553320 BQNULWFYTSMZAC-VIFPVBQESA-N 384.841 2.654 0 40 GFAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(OC)c1OC 1009639 UTUCJOOOWDZJHM-HNNXBMFYSA-N 376.434 2.527 0 40 GFAB FC(F)(Cl)c1nnc2sc(CCc3nc(-c4ccccn4)no3)nn12 61718790 GZUIYMZINBUVGM-UHFFFAOYSA-N 383.771 2.704 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)no1 947849 FERJLXQNMLOJPG-UHFFFAOYSA-N 387.417 2.801 0 40 GFAB COc1cc2c(cc1OC)CN(C[C@H](C)N1C(=O)c3ccccc3C1=O)CC2 1063779 WQMSBOMDUUDBEU-AWEZNQCLSA-N 380.444 2.747 0 40 GFAB CN(C)S(=O)(=O)c1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 3190753 APCDZELYRQSAJA-UHFFFAOYSA-N 389.502 2.781 0 40 GFAB COC(=O)CN(CCC(F)(F)F)CC(=O)NC1CCC(C(F)(F)F)CC1 79058631 YYWZTLYKYRHACZ-UHFFFAOYSA-N 392.340 2.651 0 40 GFAB CC(C)(C)OC(=O)n1cnc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1576316 QASQSKCFDDEAKG-OAHLLOKOSA-N 389.408 2.588 0 40 GFAB C[C@]1(N2C(=O)O[C@@H](c3ccccc3)C2=O)C(=O)N2CCS[C@@]21c1ccccc1 1707504 QCLLWNBOOXMMAP-ORYQWCPZSA-N 394.452 2.907 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NOCc2ccccc2)cc1 25038631 YKXALSGVTDPVED-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB C[C@]1(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1(Cl)Cl 25894153 UDZCPTYZNVFOID-OAHLLOKOSA-N 391.320 2.540 0 40 GFAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 8416901 VOKHQTJQZDGYJY-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)s1 36108936 HWRLJHGFGAGJMM-INIZCTEOSA-N 378.519 2.780 0 40 GFAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)Nc2nc(CC)c(C)s2)C1 58393242 RLAXYVGSQWNIGK-DZGCQCFKSA-N 380.558 2.969 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1ccc(F)cc1)C(F)(F)F 2317332 LMPUFCHXWZUTOC-INIZCTEOSA-N 385.317 2.884 0 40 GFAB O=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1c(Cl)cccc1Cl 27643512 XZJJOPBSONGMAJ-UHFFFAOYSA-N 396.259 2.993 0 40 GFAB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 2658382 JBNQSTWRGWIKPX-UHFFFAOYSA-N 399.399 2.611 0 40 GFAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1ccc(N2CCCC2=O)cc1 22792835 DTFCSRKAKNPGRW-UHFFFAOYSA-N 398.532 2.631 0 40 GFAB CCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 2890861 WROHKWFEORKTSM-UHFFFAOYSA-N 386.832 2.795 0 40 GFAB COc1cc(OC)c(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1Cl 48231318 ZQPPUFWITRUTKE-CHWSQXEVSA-N 380.872 2.969 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(CN2CCCC2=O)c1 48264161 OTZXQOJNRFPZAE-UHFFFAOYSA-N 378.428 2.799 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCn2c(C)csc2=O)N2CCCC2)cc1 12778152 FOCVNFRQRGMDBN-GOSISDBHSA-N 389.521 2.570 0 40 GFAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O 48331973 QMODLOBIQGPKEI-APPDUMDISA-N 399.230 2.793 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 12817979 RUSQBBWBXQLWFE-KRWDZBQOSA-N 393.443 2.753 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 12864811 WDHKBCVJEIJHBC-UHFFFAOYSA-N 387.864 2.590 0 40 GFAB Cc1c(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)sc2nccn12 95435215 WAZRFRNLBGRLBW-UHFFFAOYSA-N 389.525 2.941 0 40 GFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cnn(-c2ccccc2)c1 12923741 UXBJYCCOMOMQPB-NRFANRHFSA-N 394.450 2.815 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)NCc2ccc3c(c2)OCO3)c(C)c1 13096406 OEFBZIANMMZKLJ-UHFFFAOYSA-N 397.475 2.527 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)CSCc2ccc(Cl)cc2)CC1 13018612 QJHMOXSUNXOEQW-UHFFFAOYSA-N 390.958 2.504 0 40 GFAB CCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)NC)c(C)o3)sc2c1 38489294 MCGIZZJXGKJFBN-UHFFFAOYSA-N 395.462 2.757 0 40 GFAB CN(C)c1cc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)c2ccccc2n1 72304643 XWMDXSKLSPKETO-UHFFFAOYSA-N 380.492 2.566 0 40 GFAB CNC(=O)C1CCC(Nc2nc(C)nc3sc(C(=O)OC)c(C)c23)CC1 63282427 KPVQMUGGWSLEAO-UHFFFAOYSA-N 376.482 2.811 0 40 GFAB COc1cccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)n1 96001928 MJIYBIUBJLKDCC-OAHLLOKOSA-N 382.424 2.631 0 40 GFAB Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1C 13510361 VMRDZAMRGODHIP-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1C 4195106 KIUGNNGUOVEJQC-LBPRGKRZSA-N 384.432 2.943 0 40 GFAB Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 4182825 LZONWBVYQAKVTB-LJQANCHMSA-N 387.501 2.898 0 40 GFAB Cc1ccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 113956470 RTSLSVMVWXRKCF-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB COc1ccc(-c2cc(C(=O)NCCS(=O)(=O)c3ccccc3)no2)cc1 72427530 LPQRFTBWJQQFGY-UHFFFAOYSA-N 386.429 2.554 0 40 GFAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC)cc1OC 4318617 ICAFUZBSFWGANG-MRXNPFEDSA-N 376.434 2.527 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1 6318021 JUYDRYDQHPYVED-UHFFFAOYSA-N 381.182 2.796 0 40 GFAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NC[C@H]1CCCO1 5333664 SUZICROYWXANJK-CYBMUJFWSA-N 376.457 2.806 0 40 GFAB COc1cc(C)cc(OC)c1OCCOc1ccc(S(=O)(=O)N(C)C)cc1 9387178 JNDAJTTVYCDWPB-UHFFFAOYSA-N 395.477 2.720 0 40 GFAB NC(=O)c1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)cc1 14202353 MLSNELJPBNZVIM-UHFFFAOYSA-N 394.500 2.853 0 40 GFAB Cc1nn(CCCC(=O)Nc2cccnc2)c(C)c1I 4710418 FWDOSOSPEPXJKJ-UHFFFAOYSA-N 384.221 2.918 0 40 GFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O 5630692 LZLMLBUTOCPABR-ZUOKHONESA-N 375.444 2.579 0 40 GFAB CCCNC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 5689303 UPDZFONVWGQSKT-UHFFFAOYSA-N 385.555 2.653 0 40 GFAB COc1ccc(CN(C)C(=O)COc2ncnc3ccccc23)c(OC)c1OC 6786986 YCXYAXKUYJKBTQ-UHFFFAOYSA-N 397.431 2.693 0 40 GFAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl 6779197 LUNCJAWSDKWDPF-NSHDSACASA-N 378.787 2.779 0 40 GFAB COc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1OC 68930634 QYKFLQFWKCIDIO-CQSZACIVSA-N 384.432 2.865 0 40 GFAB CC(C)[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc2c(c1)OCCO2 7245737 CDBLALFQLJAVEJ-QFIPXVFZSA-N 393.443 2.681 0 40 GFAB COc1ccc(NC(=O)NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 7786099 ISISPKLFCMLFHY-UHFFFAOYSA-N 381.388 2.611 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)NCc3ccc(F)cc3)c2O1 8193564 NOMYNGCNABESPE-UHFFFAOYSA-N 387.407 2.778 0 40 GFAB O=C(C[C@H]1COCCN1CC(=O)N(C1CCCC1)C1CC1)c1cccs1 95945691 SIDNIEGVPHHNSC-KRWDZBQOSA-N 376.522 2.955 0 40 GFAB CCOC(=O)c1cc(S(=O)(=O)N2CCCc3cccc(Cl)c32)cn1C 95940384 CZHOCCIAWDNYHM-UHFFFAOYSA-N 382.869 2.997 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2nn(C)c(C)c2Br)c1 28306272 KOHZARDAWNFFKX-SECBINFHSA-N 382.258 2.999 0 40 GFAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 306144276 ZAYJJGDFRQJGPG-UHFFFAOYSA-N 383.477 2.677 0 40 GFAB CCc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 22361641 KIYGIHXXRYUEJP-UHFFFAOYSA-N 392.496 2.903 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 11851675 KUGGZXDTDOYROY-ZAPJKBGESA-N 395.477 2.744 0 40 GFAB biogenic CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31485267 GUROZZJRDJALOP-KRWDZBQOSA-N 390.480 2.885 0 40 GFAB COCCN(Cc1ccncc1)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 62018194 GIYOFTPNXXVLQZ-INIZCTEOSA-N 387.867 2.763 0 40 GFAB CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 39985224 LHHNKDYPWPYPQL-UHFFFAOYSA-N 382.869 2.998 0 40 GFAB Cc1n[nH]cc1C1CCN(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1 558385192 LVYLMFFMEFIWGC-UHFFFAOYSA-N 395.507 2.912 0 40 GFAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c1O 31860769 RBEXOAWNMJODKC-NJDIQBRYSA-N 399.443 2.948 0 40 GFAB COc1cccc(CNC(=O)COC(=O)Cc2ccccc2Cl)c1OC 72331049 PRXOVGOBNMHZHL-UHFFFAOYSA-N 377.824 2.759 0 40 GFAB CCCC(=O)N1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 48304285 PONRIULXXVWHBA-UHFFFAOYSA-N 394.415 2.608 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CCOCC3)ccc2C)cc1 224303858 DUZMJYRQESHZEK-UHFFFAOYSA-N 388.489 2.601 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)Oc2ccccc21 44902325 MSYORMAEYGGTKZ-SCLBCKFNSA-N 392.452 2.620 0 40 GFAB COCc1nn2c(ncc3c(=O)n(CCO)ccc32)c1-c1ccc(Cl)cc1 40397746 XKAGPYJKFLAOGU-UHFFFAOYSA-N 384.823 2.503 0 40 GFAB Cc1nnc(NC(=O)CN2CCC(c3nnc(-c4ccco4)s3)CC2)s1 77198189 DQZLPKHPZVEPFJ-UHFFFAOYSA-N 390.494 2.776 0 40 GFAB O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CCN(c2ccccc2F)CC1 225752011 QIUGHKLAXWDJLW-UHFFFAOYSA-N 383.398 2.629 0 40 GFAB COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 225146818 VSWKEBFBKMVXNL-UHFFFAOYSA-N 392.506 2.651 0 40 GFAB CC(C)(C)c1ccc(OC[C@H](O)CNC2CCC(CS(C)(=O)=O)CC2)cc1 579703935 NHDGCSSDVSAUQO-NKELODKYSA-N 397.581 2.917 0 40 GFAB Cc1nc(NCc2ccco2)nc2c1COC[C@]21CCN(C(=O)CC2CC2)C1 96100230 KMTZAALGGUTKIA-OAQYLSRUSA-N 382.464 2.791 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229770 FIRCNUMGFTTXGC-ZGPJWRFFSA-N 398.846 2.722 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCCC[C@H]1c1nnc(-c2cnccn2)o1 257212540 CDXNAIHMYYNWQX-HNNXBMFYSA-N 389.412 2.582 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1cccc(OC)c1 257207513 BICGXMVCGFFART-CTNGQTDRSA-N 387.524 2.597 0 40 GFAB COc1ccccc1C(=O)N1CCC[C@@](COc2ccccc2)(CC(N)=O)C1 257235136 GWPOKJONHWCBQT-JOCHJYFZSA-N 382.460 2.872 0 40 GFAB CCCC1(O)CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 585085573 UGBNQIQUNDUYCS-UHFFFAOYSA-N 375.437 2.591 0 40 GFAB Cc1nc(N)sc1C(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257341372 ZKBMSUQQMZRYBY-INIZCTEOSA-N 386.521 2.934 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H](Cc2cc(Nc3cc(C)n[nH]3)nc(C)n2)C1 257327733 XCMJBFVFKXOQAX-HNNXBMFYSA-N 392.529 2.554 0 40 GFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)c1 251048114 BYJNCLLKHTYJLV-VDGAXYAQSA-N 390.549 2.842 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CC[C@H](Oc4ccccc4)C3)c(F)cc2N1 645786305 BCGXAFBVNSVUCR-HNNXBMFYSA-N 390.436 2.552 0 40 GFAB COc1ccc(CCNC(=O)c2[nH]nc3c2COc2ccccc2-3)cc1OC 96097183 GYUOIJFIIYGDCD-UHFFFAOYSA-N 379.416 2.959 0 40 GFAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 12088047 RJPQYLGETGVVKY-HZPDHXFCSA-N 378.476 2.534 0 40 GFAB O=S1(=O)N[C@@H](C2CCN(Cc3nc4ccccc4[nH]3)CC2)Nc2ccccc21 12221921 RAJUFOXZTZLYMQ-FQEVSTJZSA-N 397.504 2.505 0 40 GFAB CCOC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1C 13613402 XPMZOEXHKKJEKF-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NC1CCCCC1 16428819 NWRPIDUQFGDSKQ-UHFFFAOYSA-N 380.510 2.735 0 40 GFAB CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cn(C)cn1 19017907 XZGHBVJBLKYHBX-HMXCVIKNSA-N 380.492 2.819 0 40 GFAB CN(C)CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 19084150 QFYKFKULBWYUKQ-LSDHHAIUSA-N 397.514 2.971 0 40 GFAB C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C[C@@H](C)O1 19497355 PPGJDRVUFWOPHX-HUUCEWRRSA-N 387.505 2.896 0 40 GFAB CCn1ncc(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)on2)c1C 19524059 REXVLALMFWMWFI-UHFFFAOYSA-N 399.426 2.524 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)n1 19572831 OHJCCJNDANRXCJ-ROUUACIJSA-N 396.539 2.635 0 40 GFAB COc1ccc(CCC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 19588274 QCRONTXEAVRHTM-UHFFFAOYSA-N 394.519 2.812 0 40 GFAB Cc1cc(C)n(CCCC(=O)Nc2nnc(-c3ccccc3F)s2)c(=O)n1 19658253 VBJHRUQMJADEFB-UHFFFAOYSA-N 387.440 2.937 0 40 GFAB Cc1c(C(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)oc2ccccc12 19708947 TWRXCEJNXQLOAM-UHFFFAOYSA-N 393.491 2.840 0 40 GFAB Cc1c(NC(=O)Cn2cnc3sccc3c2=O)cccc1C(=O)N1CCCC1 19715418 VAFSHDYHJHBGHL-UHFFFAOYSA-N 396.472 2.641 0 40 GFAB COC(=O)[C@](NCCc1ccccc1)(NC(=O)c1ccccc1)C(F)(F)F 19938849 WCUOVPJAXUYEGP-SFHVURJKSA-N 380.366 2.680 0 40 GFAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)CC1 6308162 SSMADISYUQQSKN-XNTDXEJSSA-N 389.433 2.890 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10545582 MSWHVDHRUPOOEH-OAHLLOKOSA-N 383.473 2.986 0 40 GFAB CCOc1ccc2nc(N3CCN([C@H](C)C(=O)NC(C)C)CC3)sc2c1 1888921776 VNMWQIYILMTFGG-CQSZACIVSA-N 376.526 2.730 0 40 GFAB COc1ccc(C)c2sc(N3CCC[C@H](C(=O)N4CCOCC4)C3)nc12 1889148882 LCLJJNHMLYSEFG-AWEZNQCLSA-N 375.494 2.689 0 40 GFAB Cc1nc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)cc(-n2cccn2)n1 1889149034 GEXCIBHCXSJFCZ-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@]1(O)CCCc2sccc21 1889151960 BDCHTQLKQXRLEY-GOSISDBHSA-N 394.880 2.689 0 40 GFAB Clc1ccccc1-c1noc(CSc2nnnn2C[C@H]2CCCO2)n1 14142230 AALSDVMUYDMOMK-SNVBAGLBSA-N 378.845 2.848 0 40 GFAB Cn1cnc(CN2CCO[C@@]3(CO[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C3)C2)c1 2037976924 QMICYASMRUCUAA-LRXVAGHRSA-N 399.491 2.646 0 40 GFAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)c1 4250546 QUURZJYCPWLEIE-UHFFFAOYSA-N 379.464 2.802 0 40 GFAB CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1 5240437 SFUHMRQPDOTBLS-UHFFFAOYSA-N 385.401 2.595 0 40 GFAB C[C@@H]1CN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C[C@@H](C)O1 5304865 YSBWQRIQXJWDDE-HUUCEWRRSA-N 395.434 2.833 0 40 GFAB Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n(C(C)C)n1 11695200 MDKVBOBWWGQEKZ-CYBMUJFWSA-N 382.511 2.626 0 40 GFAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)CCc2ccccc2Cl)CC1 2055772623 GRDLOIGXOFVPMM-UHFFFAOYSA-N 388.899 2.575 0 40 GFAB COc1cccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)c1 2055746043 DPUDTXMFFSKFCL-UHFFFAOYSA-N 386.521 2.877 0 40 GFAB COc1cccc(CN2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C(C)=O)c1 2055812516 JKPVSDZFKMBHGV-NRFANRHFSA-N 399.516 2.597 0 40 GFAB COc1cccc2cc(C(=O)N3CC[C@H](S(=O)(=O)Cc4ccco4)C3)oc12 206691469 RSVZZDPDWBWRSG-HNNXBMFYSA-N 389.429 2.864 0 40 GFAB CCOC(=O)N(C)CC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 40120931 WHXUTLPDZIIOGK-UHFFFAOYSA-N 381.476 2.954 0 40 GFAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCO[C@H](c2ccccc2)C1 40268745 DWZCMAVVVSNZGY-FQEVSTJZSA-N 393.418 2.650 0 40 GFAB CONC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 30867266 JHJFFWJULJKLAX-AZUAARDMSA-N 384.432 2.866 0 40 GFAB CN1CCN(C(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)CC1 20387151 HMXGZQUBAYSBOZ-UHFFFAOYSA-N 380.275 2.591 0 40 GFAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1nncs1 21215358 CCRCGOVLGPEECJ-UHFFFAOYSA-N 392.437 2.659 0 40 GFAB C[C@H](OC(=O)c1cc2ccccc2n1C)C(=O)c1ccc2c(c1)NC(=O)CO2 52241410 KKJAOCUOIYKQOZ-LBPRGKRZSA-N 378.384 2.937 0 40 GFAB C[C@H](NC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1)c1ccc2c(c1)OCO2 32795348 FJSPDLUFHMBMQI-JTQLQIEISA-N 386.433 2.616 0 40 GFAB CC(C)CC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br 32904695 NFMCXURLYIRHQP-SNVBAGLBSA-N 377.304 2.651 0 40 GFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)c1ccccc1 32954659 BXIJLMPCJHYJRW-CRAIPNDOSA-N 389.473 2.804 0 40 GFAB COc1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1N1CCCC1=O 21867866 PUGLDCHHPNZINW-UHFFFAOYSA-N 382.388 2.901 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCOCC1 779303 LTRNJSREHJZJPL-UHFFFAOYSA-N 384.461 2.537 0 40 GFAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCCCC(=O)O)ccc12 2147265 AVZXMDYUSXVSHG-ZDUSSCGKSA-N 375.421 2.884 0 40 GFAB biogenic CSCC[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)O 2200928 JQOCZYXSNHPMAR-SKQHNDAPSA-N 398.484 2.780 0 40 GFAB CCn1c(O)c(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 2313929 ALIPJPHKLKFKIE-UHFFFAOYSA-N 396.443 2.717 0 40 GFAB COc1ccc(C(=O)N[C@@H](NCCCN(C)C)C(Cl)(Cl)Cl)cc1 2378067 MOGNCOFMJIJCBX-CQSZACIVSA-N 382.719 2.663 0 40 GFAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 2916525 ROAVXCXLIYYOCF-CYBMUJFWSA-N 398.341 2.690 0 40 GFAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCCCC1 3295463 UXLPNEXCIADXLL-UHFFFAOYSA-N 381.505 2.841 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 3318574 WWLLZOWFYIWXJK-UHFFFAOYSA-N 378.178 2.973 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)O)cc1 3319043 LFOWPNYNQJVOGO-SFHVURJKSA-N 375.446 2.848 0 40 GFAB Cn1c(SCN2C(=O)c3ccccc3C2=O)nc2sc3c(c2c1=O)CCC3 3373566 PFHGEJWGPOUBDX-UHFFFAOYSA-N 397.481 2.830 0 40 GFAB CCCCN(C(=O)c1cc2ccccc2o1)c1c(N)n(CCC)c(=O)[nH]c1=O 3435234 PLGJZSSGFMPGIK-UHFFFAOYSA-N 384.436 2.722 0 40 GFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 3493298 GDKVRVQEYQJEEM-UHFFFAOYSA-N 385.880 2.993 0 40 GFAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 4250657 FDCFVFUFBGAXLV-UHFFFAOYSA-N 385.855 2.756 0 40 GFAB Cc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1 4770851 HSVHBRHOVGUBMI-UHFFFAOYSA-N 380.901 2.694 0 40 GFAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)no1 4942502 AIGBWTJEPCLAER-HNNXBMFYSA-N 393.399 2.671 0 40 GFAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1N 5046779 CDNORMSEGFTXIX-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB C[C@@H]1CCc2c(sc3nnn(CC(=O)N(C)Cc4ccccc4)c(=O)c23)C1 5183434 UXARZSNAUJYFAT-CYBMUJFWSA-N 382.489 2.636 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cccc(F)c1 5199795 XAGXEUJFDRXXKG-BJMVGYQFSA-N 397.450 2.773 0 40 GFAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 5309312 RDUXDDVFCUKPFO-UHFFFAOYSA-N 381.889 2.946 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 6275947 ILFIHCNSWDRQBC-UHFFFAOYSA-N 386.502 2.955 0 40 GFAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1c[nH]c2ccccc12 6354202 DSNXRQQOSCFTNQ-LBPRGKRZSA-N 376.368 2.579 0 40 GFAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c(C)c1 6680838 JNWBIFMLAANGFF-UHFFFAOYSA-N 394.518 2.947 0 40 GFAB CCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6710693 WKKKJHPWLVTLKN-ZDUSSCGKSA-N 392.477 2.572 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2sc3nc(C)[nH]c(=O)c3c2C)CC1 6920148 QAIFGIKYWHJTRO-UHFFFAOYSA-N 398.488 2.572 0 40 GFAB Cc1ccccc1NC(=S)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 7556968 QXZDLXRKWOIYJB-LJQANCHMSA-N 397.500 2.676 0 40 GFAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCC1 8476144 KZHAPJDZPKEPHZ-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccccc3C(N)=O)c(C)c12 8491561 ZIYQUWQAILRQGD-UHFFFAOYSA-N 380.400 2.699 0 40 GFAB biogenic CC(C)Cn1c(SCC(=O)N(C)c2ccccc2)nnc1N1CCOCC1 8937680 KSJPRWCVQDPOJR-UHFFFAOYSA-N 389.525 2.526 0 40 GFAB O=C(CSc1nc(Cl)nc2nc[nH]c12)Nc1ccc2c(c1)OCCO2 9421485 LPWJCFUJZODBGW-UHFFFAOYSA-N 377.813 2.508 0 40 GFAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 10103922 UWRAJRLDLUMNQU-CQSZACIVSA-N 379.464 2.672 0 40 GFAB COC(=O)c1ccc(C)c(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 10169998 QFANOELRGNCFRF-AWEZNQCLSA-N 381.432 2.957 0 40 GFAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@@H]2c1cccc(F)c1 10232645 SLWMZNYIULYRFZ-MRXNPFEDSA-N 379.330 2.809 0 40 GFAB Nc1nnc(SCC(=O)N2c3ccccc3NC(=O)C23CCCC3)s1 10391700 GNUSOVKGVYLDSJ-UHFFFAOYSA-N 375.479 2.511 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)/C=C/c2c(C)nn(C)c2C)n1 10439390 LXIYGLZAHUJQIK-MDZDMXLPSA-N 393.451 2.613 0 40 GFAB CCn1ccc(C(=O)N2CCN(c3nc4c(OC)ccc(C)c4s3)CC2)n1 11738218 PTNNZVHRPJRNJH-UHFFFAOYSA-N 385.493 2.792 0 40 GFAB CCn1c(CCC(=O)NC(C)(C)CC)nc2cc(S(=O)(=O)N(C)C)ccc21 12520584 CTSMNOKRQAXZSU-UHFFFAOYSA-N 394.541 2.544 0 40 GFAB Cc1ccc(CNC(=O)NCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 12769621 UOZVGJVAWSYHJT-UHFFFAOYSA-N 396.491 2.508 0 40 GFAB CCCn1c(=O)n(CC(=O)NCC(=O)Nc2cccc(C)c2C)c2ccccc21 12983764 VLFBXTFWXWAGHQ-UHFFFAOYSA-N 394.475 2.585 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1 13633145 AVLOATUGTBNHNI-UHFFFAOYSA-N 384.404 2.623 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCSc4c(F)cccc43)ccc21 14228960 WIIYIQAKXBHNFR-AWEZNQCLSA-N 399.447 2.816 0 40 GFAB CCn1c(C)cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c1C 15279061 NNARGQZJMRLNLP-UHFFFAOYSA-N 378.450 2.536 0 40 GFAB O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2ccc3c(c2)OCO3)C1 15674921 IKXNPVGQCYVEOY-CVEARBPZSA-N 383.379 2.912 0 40 GFAB biogenic,in-vitro CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16035140 AFQFQUJZXHMQPR-FUMNGEBKSA-N 376.387 2.930 0 40 GFAB COCCn1ccc2c(OCC(=O)N3CCc4ccccc43)cccc2c1=O 16689939 YROWVAHTDKVRPN-UHFFFAOYSA-N 378.428 2.616 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)Cn1nc2ccc(SC(C)C)nn2c1=O 16844520 XWZFVRFJMNHYHZ-UHFFFAOYSA-N 391.884 2.992 0 40 GFAB CCC(C)(C)NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 18417945 XAKAOKRTZYONGB-UHFFFAOYSA-N 394.427 2.949 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@@H](C)c4ccc(C)cc4)C3)ncc2C1 19135730 GTNAPSNPIILBSH-QFBILLFUSA-N 392.503 2.809 0 40 GFAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2C(=O)COc1ccccn1 19712810 HHJDZEYEWJHSNN-SVMVAKDDSA-N 397.450 2.653 0 40 GFAB CCOC(=O)N1CCN(CCC(=O)Nc2ccc(C)c(Br)c2)CC1 19848491 XSLXZBFFCBQGNX-UHFFFAOYSA-N 398.301 2.860 0 40 GFAB CCc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 20553715 KROIYAXMWUHOPZ-QGZVFWFLSA-N 377.487 2.755 0 40 GFAB CC(C)CCCNC(=O)CCNS(=O)(=O)c1ccccc1Br 23132801 DKBFPUXAUBTRAI-UHFFFAOYSA-N 391.331 2.670 0 40 GFAB Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 24991514 LFSCBUYTOSLPGL-XXWNAHEMSA-N 392.521 2.625 0 40 GFAB CCn1cc(Br)c(C(=O)N2CCN(c3ccccc3OC)CC2)n1 27971355 AMZSQXZREVVFKG-UHFFFAOYSA-N 393.285 2.637 0 40 GFAB CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 31071536 KOMQJCPBWVLJMQ-UHFFFAOYSA-N 389.477 2.839 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)NCCc1nc2ccccc2s1 32744803 QEJCGECRRBCSGP-UHFFFAOYSA-N 386.502 2.781 0 40 GFAB CCOC(=O)C1=C(COc2cccc3c2CCC3=O)NC(=O)N[C@@H]1c1ccco1 32789188 HSABGCDRGBQCQC-LJQANCHMSA-N 396.399 2.659 0 40 GFAB C[C@]1(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1(Cl)Cl 40070942 KSGKLNDFPAHNFV-OAHLLOKOSA-N 377.218 2.833 0 40 GFAB O=C(NCc1ccccc1-n1cccn1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 57994058 BMEQMQGHYDCYJQ-HXUWFJFHSA-N 388.471 2.580 0 40 GFAB CCOC1CCN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 58201705 DFEHBOGVZJIFDY-IAGOWNOFSA-N 375.513 2.740 0 40 GFAB C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(-n2ccnc2)c(F)c1 58209643 XSJODLZKBXWQSX-UHFFFAOYSA-N 376.391 2.754 0 40 GFAB CNC(=O)c1ccc(OC)c(NC(=O)c2cn(-c3ccccc3Cl)nn2)c1 58686319 MOQOTJAQOOTOPA-UHFFFAOYSA-N 385.811 2.541 0 40 GFAB C[C@H]([C@@H](O)c1ccccc1)N(C)CC(=O)Nc1ccc(Br)cn1 66087826 XVWDEHLVPDHPLZ-SJKOYZFVSA-N 378.270 2.837 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c(OC)c1 67479995 AYESHJSJJQINHJ-LJQANCHMSA-N 382.460 2.554 0 40 GFAB CC(C)C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325472 WXKBIGURPZWDHK-IBGZPJMESA-N 377.872 2.629 0 40 GFAB Cc1cc2nc(C3CCN(C(=O)c4ccnn4C)CC3)cc(C(F)(F)F)n2n1 72340840 ZUUJRZFMZITAKO-UHFFFAOYSA-N 392.385 2.810 0 40 GFAB Cc1ccc2nc(C3CN(C(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)C3)[nH]c2c1 77099560 QWBCHYQPGRUEPC-CQSZACIVSA-N 392.434 2.989 0 40 GFAB O=C(Nc1ccc2c(c1)CCO2)N1CCN(Cc2nccn2C(F)F)CC1 78975293 XKMRYIZSIDTDTM-UHFFFAOYSA-N 377.395 2.563 0 40 GFAB CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)Nc1cc[nH]n1 79060813 GDBZPMWTZLLCSB-LBPRGKRZSA-N 388.852 2.534 0 40 GFAB Cn1c(SCC2(O)CCN(C(=O)OC(C)(C)C)CC2)nnc1C(F)(F)F 95725641 JGUZFOUPBSAGEF-UHFFFAOYSA-N 396.435 2.688 0 40 GFAB COC(=O)[C@@H]1C[C@@H](N[C@H](C)CCc2ccc(Br)cc2)CCN1C 95943618 QMHPGQIXSXBAOX-COXVUDFISA-N 383.330 2.996 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCn3cnc(COC(C)C)c3C2)cc1F 96085051 HXJZXPVVQNFMCH-UHFFFAOYSA-N 381.473 2.850 0 40 GFAB COc1cc(=O)n(CC(=O)Nc2ncc(C)s2)nc1-c1ccc(Cl)cc1 96100864 LDRNCYJSJVWVTK-UHFFFAOYSA-N 390.852 2.976 0 40 GFAB CO[C@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1C)c1ccccc1C 96105086 VPFKUAUOFBIUCK-GOSISDBHSA-N 376.478 2.928 0 40 GFAB COc1ccc(CNC(=O)NC[C@H](OCCO)c2ccc(C)cc2)cc1OC 96338441 DUHIUBOISMYIQB-FQEVSTJZSA-N 388.464 2.562 0 40 GFAB COc1ccc(NC(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2C)c(OC)c1 96347442 FQRFGMWXNVRXPO-UHFFFAOYSA-N 392.415 2.764 0 40 GFAB O=C1NC(=O)/C(=C\c2ccc(C(=O)NCCOc3ccccc3F)cc2)S1 96866201 NIAZPVRJONSHCU-LFIBNONCSA-N 386.404 2.958 0 40 GFAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@@H](C)O1 100135246 ATDHLXQROIJYSZ-UXLLHSPISA-N 398.551 2.878 0 40 GFAB Cc1nc2cc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)nn2c(O)c1C 100137746 UFTUOEHHUGIUGW-AWEZNQCLSA-N 381.436 2.937 0 40 GFAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)o1 100145757 ZFDNEUCJNXQZKE-IRXDYDNUSA-N 380.448 2.839 0 40 GFAB COCCOc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2nccn2C)cc1 100728566 FYMHMAHDLQNNEE-RTBURBONSA-N 385.508 2.565 0 40 GFAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)N1CCCN(c4ccccn4)CC1)(C3)C2 100731063 FMHJZUBBABWOPQ-NAMINWQUSA-N 396.535 2.595 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 100889761 FQJXTMSMRXNBOF-DLBZAZTESA-N 397.822 2.580 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 101260676 AKVYBWSAHWGHLN-HOTGVXAUSA-N 386.795 2.855 0 40 GFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 105864365 LUZDIWKBUUVMDS-INDMIFKZSA-N 376.522 2.533 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 223414255 GBMIYVRWOPVBTO-SFHVURJKSA-N 388.439 2.767 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 223587120 JGOXXYFDXGKERK-RTBURBONSA-N 382.464 2.976 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1 224080136 SBKBVYQMDPCUEB-UHFFFAOYSA-N 376.478 2.874 0 40 GFAB CCN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224465669 WYKDNBXKFFIODH-UHFFFAOYSA-N 388.489 2.798 0 40 GFAB O=S(=O)(NCC1CCN(c2cccnc2)CC1)c1cccc2cccnc12 225656060 LCYISBFQDRCSLO-UHFFFAOYSA-N 382.489 2.825 0 40 GFAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 238840949 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O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cc(-c2cccs2)[nH]n1 390829787 GPLQTITVAKLLMO-VIFPVBQESA-N 396.398 2.784 0 40 GFAB CSc1cccc(N(C(=O)c2ccnc3c2nnn3C)C2CCN(C)CC2)c1 574093148 JOUIZWUSSOJZHF-UHFFFAOYSA-N 396.520 2.826 0 40 GFAB COc1ccc(CC(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1OC 575613147 PTQIJFSEOAXAKE-HSZRJFAPSA-N 399.487 2.677 0 40 GFAB Cc1ccc(N2CC[C@@]3(CN(C(=O)c4ccnc(F)c4)CCC3(F)F)C2)nn1 585102338 XGUHPAMQALRTPI-SFHVURJKSA-N 391.397 2.697 0 40 GFAB CCc1ccc(CN2CCN(c3ccccc3C(=O)NCCOC)CC2)cc1 585138796 ZYKCRFSISWGNHV-UHFFFAOYSA-N 381.520 2.947 0 40 GFAB COc1ccc(/C=C/C(=O)N2CC[C@H](Oc3cc(C)nc(C)n3)C2)cc1OC 585147511 YTDTVOPZNUANME-JKNJVXJCSA-N 383.448 2.804 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149029 RRYCRGTVLSHGRQ-MRXNPFEDSA-N 387.457 2.571 0 40 GFAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2ccc(OC)cc2)c1O 1547204207 QPURZOPKKVLROB-QGZVFWFLSA-N 389.448 2.602 0 40 GFAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1565546831 KSUSVQHGFBPADL-SFHVURJKSA-N 383.439 2.530 0 40 GFAB Cc1cc(C(=O)N2C[C@@H]3CC[C@]3(Nc3ccc(C(F)(F)F)cn3)C2)n(C)n1 1614423136 FEHVGVLRQDDSAW-GUYCJALGSA-N 379.386 2.859 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615154356 FYEJQCBXIUGJGK-QFIPXVFZSA-N 397.450 2.957 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154510 FRVFIWHBIVLHSQ-JOCHJYFZSA-N 398.434 2.629 0 40 GFAB Cc1cc(C(=O)N2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)n(C)n1 1888899280 HMNHERSHIHPGEL-MRXNPFEDSA-N 377.448 2.727 0 40 GFAB COc1cccc(CN2C[C@@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)c1 2055796012 KCRQWWKIJARELD-FQEVSTJZSA-N 381.476 2.958 0 40 GFAB COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 1010595 FPEKMONGJKUQQK-MRXNPFEDSA-N 380.400 2.723 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@@H]3C)nnc12 1331718 KEOBYSDIFRKULG-ZDUSSCGKSA-N 385.493 2.557 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2)cc1 1379693 VAZMCBDCKHQNNM-IBGZPJMESA-N 380.448 2.958 0 40 GFAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@@H](O)COc2ccc(F)cc2)cn1 79048211 VLGLBDYXFDGOMS-OAHLLOKOSA-N 382.457 2.645 0 40 GFAB O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N[C@H]1CCC[C@@H]1n1ccnc1 79023558 NXXZLMVMWMDBKZ-IRXDYDNUSA-N 386.427 2.802 0 40 GFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 6593638 SZWYUBRCAQCLJM-JKSUJKDBSA-N 382.526 2.709 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1 7742560 PZNCJBXDGIBQKL-UHFFFAOYSA-N 397.836 2.676 0 40 GFAB CCOc1ccc(NCCOc2ccc(OC)cc2)cc1S(=O)(=O)N(C)C 12522494 MKSBFOPQAXECGY-UHFFFAOYSA-N 394.493 2.835 0 40 GFAB COCCOc1ccc([C@@H](C)N(C)C[C@H](O)COCCOC(C)C)cc1OC 108480564 ZBGIHTDKKDFJDV-MJGOQNOKSA-N 399.528 2.516 0 40 GFAB COC[C@@H](C)n1c(S[C@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O 58194781 JQFHYCAVWHHLHQ-CJNGLKHVSA-N 377.510 2.809 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C)c(F)c3)ccc21 10744733 NLKZLFIZJOLKFH-UHFFFAOYSA-N 376.453 2.912 0 40 GFAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OCc1ccccc1 28332662 QNQKTEVWCKMBPR-FQEVSTJZSA-N 396.487 2.999 0 40 GFAB O=S(=O)(c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)o1)N1CCOCC1 36359960 UUDBCCPZQBUBIR-UHFFFAOYSA-N 395.824 2.671 0 40 GFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2ccccc2F)CC1 36447643 CBDJEJWHZUPGSQ-UHFFFAOYSA-N 399.466 2.604 0 40 GFAB O=C(NCc1ccccc1)c1nnn2c1nc(O)c1cc(Br)ccc12 20732609 JLUPSEYLLUQRAT-UHFFFAOYSA-N 398.220 2.676 0 40 GFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(OC(F)F)cc1 3290851 RQHNYXLBBWVMRR-UHFFFAOYSA-N 388.326 2.925 0 40 GFAB CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)occ(CN3CCOCC3)c2=O)C1 101342483 PVTHFWUNDRMVNH-IIBYNOLFSA-N 376.497 2.578 0 40 GFAB COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(OC)c1 11462056 ZEAYXQBDVDZXSC-UHFFFAOYSA-N 398.506 2.805 0 40 GFAB COc1cc(NC(=O)Cn2cnc3ccsc3c2=O)c(OC)cc1Cl 11651831 NYRBWNATGYQMDG-UHFFFAOYSA-N 379.825 2.767 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 22536330 XJQMUNLUYDVDFA-ZDUSSCGKSA-N 382.432 2.853 0 40 GFAB COCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc2nccnc2c1 60101648 FZANNJUYHSTPKU-GOSISDBHSA-N 390.399 2.683 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1cccc(O)c1 12323035 JYGCZIMJNXGDIO-FQEVSTJZSA-N 379.416 2.983 0 40 GFAB COc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(OC)c1C 12866833 XWLMFHLAKDDXHP-UHFFFAOYSA-N 384.476 2.774 0 40 GFAB COc1ccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 12851638 BMLHNGAGHDBQDY-UHFFFAOYSA-N 383.473 2.993 0 40 GFAB COc1cc(NC(=O)COC(=O)c2cncc(Br)c2)cc(OC)c1 3499412 BNYQQYUBILGJSD-UHFFFAOYSA-N 395.209 2.657 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 12923175 PCTNWEJJVNKVDL-LJQANCHMSA-N 395.459 2.823 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCCCCC2)cc1 13099597 CQIMURIVBYCUDE-UHFFFAOYSA-N 384.480 2.870 0 40 GFAB CCOc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)cc(Br)c1OC 13170855 RLQHWTNNMPZSNV-JTQLQIEISA-N 386.242 2.793 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1F 408700869 NJRNCXQCDRUHNI-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccco2)NC(=O)N[C@H]1c1ccccc1 5113176 CLYNCIIGTFTFRI-VYENPZKTSA-N 396.399 2.707 0 40 GFAB Cc1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)ccc1Br 5341649 OFBLSDZRUFBVTR-UHFFFAOYSA-N 394.269 2.951 0 40 GFAB COc1cc(CN2CCN(C(=O)C(C)C)CC2)c(OC)cc1Br 14138699 JRZOKWISUGZJGU-UHFFFAOYSA-N 385.302 2.767 0 40 GFAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F)N1CCCC1 6561571 HMGROHRCGXNHMC-UHFFFAOYSA-N 394.443 2.778 0 40 GFAB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1Cc1ccco1 5672866 RGAQQMCDGSQTEY-UHFFFAOYSA-N 377.404 2.984 0 40 GFAB CN1C(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C(=O)C12CCCCC2 6852804 MXGLBQHTKHMCSX-HNNXBMFYSA-N 387.505 2.937 0 40 GFAB COc1ccc(-n2cc3c(c2-c2ccccc2F)c(=O)n(C)c(=O)n3C)cc1 15082294 QLEQPVYPZHXLSP-UHFFFAOYSA-N 379.391 2.843 0 40 GFAB C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cccn2Cc2cccs2)CC1 93843184 TVSQEUZYEMXKRK-GOSISDBHSA-N 386.565 2.726 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)c1ccc[nH]c1=O 16045945 HXYNLTWVWDWXJL-UHFFFAOYSA-N 389.477 2.580 0 40 GFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 7987073 AHMFENAYHMXSSH-UHFFFAOYSA-N 394.478 2.539 0 40 GFAB COc1cc(C2=N/C(=C\c3ccccc3OC(C)=O)C(=O)O2)ccc1OC(C)=O 409191226 DSZWPAGHVJWJNF-YBEGLDIGSA-N 395.367 2.890 0 40 GFAB O=C(CSc1nnnn1C1CC1)Nc1ccccc1C(=O)c1ccccc1 8394051 YJAKDZZUBWAIBM-UHFFFAOYSA-N 379.445 2.970 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)NCCCc2nc3ccccc3s2)cc1 8706031 GTNRWIVOMNSKGY-UHFFFAOYSA-N 389.502 2.567 0 40 GFAB COc1ccc(CNC(=O)COc2cc(C(=O)O)nc3ccc(OC)cc23)cc1 67341756 YKWBUXSZNIGZLA-UHFFFAOYSA-N 396.399 2.645 0 40 GFAB CC(C)COc1ccc(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cn1 72295417 BWFVFIMKNPXPMQ-SFHVURJKSA-N 397.475 2.526 0 40 GFAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)C(=O)O 95970434 IGKJYUPICDCGFI-OAHLLOKOSA-N 394.424 2.528 0 40 GFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408624535 QQBVORLRYWDSJW-NSHDSACASA-N 398.868 2.663 0 40 GFAB CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cn1 548342773 SPVOGDSGHRPWJZ-PZJWPPBQSA-N 391.475 2.751 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCN(C)C)ccc1Cl 37020526 VLTLUOOJGOFFMC-UHFFFAOYSA-N 395.912 2.741 0 40 GFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)CCc3ccccc3)nc21 72370973 NMZLOJIQNFJORO-UHFFFAOYSA-N 382.508 2.775 0 40 GFAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCCCN2CCCC2=O)cc1 72329026 USJCGYJXJKDEGX-UHFFFAOYSA-N 384.480 2.998 0 40 GFAB Cn1nc(N2CCC[C@H](C(=O)Nc3ccccc3OC(F)(F)F)C2)ccc1=O 77100961 SNEFMFJDDRHENA-LBPRGKRZSA-N 396.369 2.534 0 40 GFAB Cc1cc(C)n2ncc(CN3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@H]4C3)c2n1 72389825 DWDVNOSIESYJLT-JLMWRMLUSA-N 377.492 2.779 0 40 GFAB CCOCCCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O 217606388 GQNDOSPPWGPQDE-UHFFFAOYSA-N 392.477 2.702 0 40 GFAB CCc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 224343544 YLFSKMKVXHVMFR-UHFFFAOYSA-N 375.498 2.506 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222728024 FBHWYQUMYMTDIT-INIZCTEOSA-N 384.476 2.800 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C)cc1 223082490 ANPGARGMBMXEAD-UHFFFAOYSA-N 378.519 2.654 0 40 GFAB CC(C)[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 225201641 PWSMQOKYHYVKGY-BEFAXECRSA-N 388.489 2.804 0 40 GFAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 223983576 YLVLDEDSCJAHHI-UHFFFAOYSA-N 392.477 2.652 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1C(=O)NC(C)C 223881613 MAKPOXQXISKZDV-UHFFFAOYSA-N 390.505 2.963 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(F)c1 570415096 PGZKPAVACLSLLW-CYBMUJFWSA-N 394.390 2.668 0 40 GFAB Cn1cccc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)c1=O 220893331 ZRXSQMYOXVACBH-ZDUSSCGKSA-N 384.461 2.592 0 40 GFAB COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)c(C)cc2C)cc1OC 63628480 UISSTFLNPHTVGE-UHFFFAOYSA-N 379.434 2.844 0 40 GFAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222762757 XEINWLFWHZABOD-WIYYLYMNSA-N 380.488 2.942 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222688746 VHKSGHMPZWZRTE-CYBMUJFWSA-N 390.461 2.629 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)n1)C(c1ccccc1)c1ccccc1 224217892 XDSXPCHQKZWMBN-UHFFFAOYSA-N 388.471 2.762 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(C)cc1 225632511 JLFIYXZRFLJHDI-LJQANCHMSA-N 390.505 2.865 0 40 GFAB COc1ccc(C(=O)NC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1OC 96269330 HATBPEGMSHKMCG-KRWDZBQOSA-N 393.443 2.896 0 40 GFAB biogenic,in-vitro Cc1cccc(-n2ncc(C(=O)N[C@@]3(CO)COc4ccccc4C3)c2C)c1 529823520 SQXTYOWDRUMIIL-QFIPXVFZSA-N 377.444 2.585 0 40 GFAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(c2ccccc2)CC1 253398891 HUQZATXCFBTGIS-HNNXBMFYSA-N 378.432 2.752 0 40 GFAB biogenic,in-vitro CC(C)c1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)cc1 257329096 XIJMUFMMAIJFKQ-WOJBJXKFSA-N 398.459 2.571 0 40 GFAB COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccccc2)CO3)cn1 257323416 WKAWOAWUMXXJNN-LJQANCHMSA-N 381.476 2.990 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCCN2CCCC2)[C@@H]1c1ccc(OC)cc1 257270269 MTLNNDUUWKWCKW-CTNGQTDRSA-N 387.524 2.597 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 364628922 MQNAPHIQTNOJBC-QRVBRYPASA-N 394.537 2.554 0 40 GFAB COc1cc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)cc(OC)c1 36594816 ZIHVSVOTTDRZRO-GOSISDBHSA-N 397.431 2.748 0 40 GFAB biogenic C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)N1CCc2sccc2C1 623634795 MCCNYDZGQJKHFL-PXNSSMCTSA-N 398.576 2.918 0 40 GFAB CN1C(=O)CN(Cc2nc(C(C)(C)c3ccc(OC(F)(F)F)cc3)no2)C1=O 624590952 SCWXXDDMHVPZPR-UHFFFAOYSA-N 398.341 2.688 0 40 GFAB Cc1ccc([C@@H]2CCN(S(=O)(=O)c3cnc(C4CC4)s3)[C@H]2C(=O)O)cc1 585098296 OMDVZGGMRVRWQV-GOEBONIOSA-N 392.502 2.960 0 40 GFAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1O 72393070 JIGYBDNBPLNGHC-KRWDZBQOSA-N 392.459 2.926 0 40 GFAB CCCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 72393287 HQXXOOQWAALITI-QGZVFWFLSA-N 390.491 2.954 0 40 GFAB O=S(=O)(c1ccccc1C(F)(F)F)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 1565520828 SRIHOUXHGOPASF-RYUDHWBXSA-N 386.399 2.854 0 40 GFAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nc1 1775971079 VNSLKTWRRLHJLP-CQSZACIVSA-N 381.885 2.918 0 40 GFAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2N)cc1 5021549 RZXFTCSNGXSBCX-LBPRGKRZSA-N 397.460 2.815 0 40 GFAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(=O)OC)cc3)CC2=O)cc1 5638267 QHGQACNRSMOZPU-HNNXBMFYSA-N 383.400 2.830 0 40 GFAB O=C(c1cc(F)cc(F)c1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085227 BUTGLDTZDNVBCM-AWEZNQCLSA-N 375.404 2.985 0 40 GFAB CC(C)c1ncc2c(n1)C1(CCN(C(=O)CCCn3ccnc3)CC1)OCC2 12087315 LNEGZSVVHFIHSQ-UHFFFAOYSA-N 383.496 2.667 0 40 GFAB C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(-n2cncn2)cc1 18158197 FXBBPLIXSMZMLK-HNNXBMFYSA-N 391.431 2.833 0 40 GFAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)Cc3cccnc3)CC1)O2 19219189 RGTWFZBGXZJQCT-UHFFFAOYSA-N 379.460 2.553 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(CCOc3ccccc3C(C)=O)c(=O)c12 19432148 FUTLXPYSPLOGTC-UHFFFAOYSA-N 384.388 2.756 0 40 GFAB CN1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 19590355 IULLCCVHGAHVRB-GOSISDBHSA-N 390.484 2.520 0 40 GFAB Cc1cc(N2CCO[C@@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)nc(C)n1 19692612 BRODHIBJQTVBCJ-HXUWFJFHSA-N 389.459 2.832 0 40 GFAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1 7419406 RGYDHGLPOHCLCS-UHFFFAOYSA-N 381.480 2.981 0 40 GFAB O=C(Nc1onc2c1CCCC2)C1CCN(S(=O)(=O)c2cccs2)CC1 8976658 UWUVTVKRXODZHI-UHFFFAOYSA-N 395.506 2.654 0 40 GFAB CC1(C)C[C@H](CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)C(=O)O1 12220931 CRGVNDXKPDZGSB-HNNXBMFYSA-N 384.436 2.569 0 40 GFAB Cc1ncc(-c2onc(C)c2C)c(CN(C)C(=O)Cc2ccc3c(c2)OCO3)n1 12471419 JFOGNXXPZLBWRE-UHFFFAOYSA-N 394.431 2.987 0 40 GFAB COc1cccc([C@@H](NC(=O)c2ccnc(N3CCCC3)c2)c2nccn2C)c1 19291246 BOYIYOFGTARZPA-HXUWFJFHSA-N 391.475 2.943 0 40 GFAB COc1cccc(OC)c1CN1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 19576457 JDIYLFVALADYST-KNQAVFIVSA-N 380.444 2.521 0 40 GFAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCCC2)c1 6079876 AGZZTXMBYMTHSS-UHFFFAOYSA-N 384.461 2.990 0 40 GFAB Cc1nc2ccccc2nc1N1CCN(c2cc(C3CCOCC3)ncn2)CC1 1888896946 GSOJOYBCMWXGEE-UHFFFAOYSA-N 390.491 2.949 0 40 GFAB Cc1ccc(C)c(CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 1889128391 XNLOGPYOBSFUFY-UHFFFAOYSA-N 381.524 2.561 0 40 GFAB O=S(=O)(NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)C1CC1 1889138836 VHGJLYKKZZSTNA-UHFFFAOYSA-N 378.416 2.631 0 40 GFAB Cn1ccc2cc(C(=O)N3CCC4(CC3)CC(C(=O)NC3CCC3)=NO4)ccc21 1565556454 JGBIWWCGNJZJTM-UHFFFAOYSA-N 394.475 2.598 0 40 GFAB CC(C)c1ccccc1OCCOC[C@H](O)CN1CCN(c2ccccn2)CC1 4279154 AJUZXKDGEQKTBZ-HXUWFJFHSA-N 399.535 2.784 0 40 GFAB COC(=O)[C@](NC(C)=O)(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F 9109244 GYBGZPJVRHCFAX-LBPRGKRZSA-N 381.763 2.929 0 40 GFAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)no1 22768244 MXQNAAOBCRHIQD-UHFFFAOYSA-N 386.477 2.962 0 40 GFAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccccc1F)CC3 48988415 VFXGOHGDVBCFFJ-UHFFFAOYSA-N 381.407 2.673 0 40 GFAB Cn1cc(-c2nc(C(=O)NCCCN3CCc4ccccc4C3)cs2)cn1 40145055 RIFYIHPXRZDIOH-UHFFFAOYSA-N 381.505 2.722 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1Br 40149706 VXWYQHUUQIJULQ-ZFWWWQNUSA-N 390.299 2.790 0 40 GFAB CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@@H]1CCCO1 51554939 IMDCWMLJIQROQZ-SFHVURJKSA-N 388.508 2.844 0 40 GFAB CC(=O)N[C@@H]1C(=O)N(Cc2cc3c(cc2Cl)OCO3)c2ccc(F)cc21 101403468 PQJNPPZJDXVWGP-KRWDZBQOSA-N 376.771 2.932 0 40 GFAB CCc1nc2ccccc2n1CC(=O)NCC1(N2CCOCC2)CCCCC1 20937943 IFYUCJKBIMWRIG-UHFFFAOYSA-N 384.524 2.750 0 40 GFAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccc2c(c1)CCCC2 32885537 WETZKSXLNIUKCR-UHFFFAOYSA-N 382.489 2.684 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@]12CCC(=O)N1c1ccccc1S2 32900764 VQSBHDDAOSHKLQ-OAQYLSRUSA-N 394.452 2.991 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1 22054197 AIOABGMGSDGEGP-INIZCTEOSA-N 380.444 2.554 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cn2cc(Br)ccc2=O)o1 42398870 HBJJVLWZEQRNRF-FZMZJTMJSA-N 379.254 2.986 0 40 GFAB c1ccc(-n2nnnc2N2CCN(Cc3nc4ccccc4s3)CC2)cc1 24001966 LEJIDQSRINAAMI-UHFFFAOYSA-N 377.477 2.594 0 40 GFAB O=C(Cc1ccc(OC(F)F)cc1)NCc1ccccc1CN1CCOCC1 24379624 YXJCAMQEBJEKMS-UHFFFAOYSA-N 390.430 2.979 0 40 GFAB CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 106364121 HXXZBXUGIQUDGY-ZIAGYGMSSA-N 384.307 2.899 0 40 GFAB CN1CCN(c2ccc(CNC(=O)C3(c4ccc(Cl)cc4)CC3)cn2)CC1 25105390 CFLVMOYSDJFPRW-UHFFFAOYSA-N 384.911 2.835 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 4852223 KCRYHNWBLBKPOT-UHFFFAOYSA-N 397.504 2.824 0 40 GFAB O=C(NCc1ccccc1)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4858806 ZLPZSMCVNFMHOH-SFHVURJKSA-N 393.472 2.595 0 40 GFAB O=C(CSc1ccc2ccccc2n1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 7920750 HNAURCQMFYOOMS-HNNXBMFYSA-N 376.503 2.505 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2=O)cc1 8232648 MSTDACKRNABMSM-MRXNPFEDSA-N 377.444 2.879 0 40 GFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 58208590 ZYCNODCZAAIFQN-QWHCGFSZSA-N 378.519 2.534 0 40 GFAB CCn1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c(=O)c2ccc(C)nc21 12568922 VBCUQYUXYFNUQI-UHFFFAOYSA-N 396.422 2.575 0 40 GFAB CS(=O)(=O)NC1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 59833743 JGYVDJWDTPLLEA-UHFFFAOYSA-N 390.292 2.629 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 20455286 NCDOUFWCNCUYPH-UHFFFAOYSA-N 384.860 2.904 0 40 GFAB COc1cccc([C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C(C)(C)C)c1 72313237 PNVJWLSGORWVOW-LJQANCHMSA-N 395.459 2.602 0 40 GFAB CNC(=O)COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 2627432 RGXVTNQDZVVKPA-UHFFFAOYSA-N 380.400 2.822 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1(c2ccccc2)CCCC1 12101419 LDMNVYSPEZJWOJ-UHFFFAOYSA-N 391.471 2.708 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 22535241 WCUMJPXLGFVYJC-CQSZACIVSA-N 376.478 2.972 0 40 GFAB CC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 3351543 PODIFYQQZUHYPP-UHFFFAOYSA-N 380.853 2.802 0 40 GFAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)c(OC)c1 12913564 GPSYMERQMDECMF-SFHVURJKSA-N 379.420 2.657 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1sccc1S(=O)(=O)N1CCCCC1 12927777 XTRCFJJDGUWMGK-UHFFFAOYSA-N 394.474 2.904 0 40 GFAB COc1cc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc(OC)c1OC 12986123 YBLLWNWHPMXBFN-LBPRGKRZSA-N 388.395 2.843 0 40 GFAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)[C@H]1CCC(=O)N1 3625954 WGPKHZLZCIFUJG-DYESRHJHSA-N 389.496 2.504 0 40 GFAB Cc1cc2nnc(SCC(=O)N3CCCC[C@@H]3C(=O)O)n2c2ccccc12 13416511 YDYOTOWDAGKFOJ-OAHLLOKOSA-N 384.461 2.749 0 40 GFAB C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1=O 24829655 QWPNBFIURFSRDJ-QLVMHMETSA-N 384.432 2.502 0 40 GFAB O=C1COc2ccc(C(=O)CSc3nnc4[nH]c5ccccc5n34)cc2N1 6506925 FLCJCPUGWSHLFI-UHFFFAOYSA-N 379.401 2.517 0 40 GFAB Cc1cc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)nc2c(C)cccc12 5581492 DWEWBBUGIQGLHE-GOSISDBHSA-N 378.519 2.637 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H](O)c3ccccc3)ccc12 6658983 IYYAVFBQLNRKDL-GOSISDBHSA-N 381.428 2.892 0 40 GFAB Cc1ccc(NC(=O)CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 6619078 KALAPAMJLWURAW-UHFFFAOYSA-N 382.489 2.852 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)c(C(N)=O)c1 66441749 OYTRNNOGALKBFZ-GOSISDBHSA-N 395.459 2.736 0 40 GFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 113966759 VXXSIVCPWCKKME-CQSZACIVSA-N 394.468 2.695 0 40 GFAB COc1ccccc1C(=O)NC(=O)CSc1nnc(NCC(C)C)s1 7249944 NHQBXAOUKPSXJZ-UHFFFAOYSA-N 380.495 2.663 0 40 GFAB CC(=O)N[C@H](CC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(C)cc1 15816418 XMJNLOBBLCMJGB-LJQANCHMSA-N 388.489 2.913 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842565 ANDCZQNONBVVOB-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O 7799400 QHSVQJTXSNMIBS-UHFFFAOYSA-N 396.447 2.667 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1OC 20481445 JMXWYJMYIXCNRJ-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCSC 8343932 VRIAIDVHMHODBY-UHFFFAOYSA-N 386.539 2.952 0 40 GFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCOC)cc1 17171446 NAULRSVLEHFAHG-UHFFFAOYSA-N 376.478 2.668 0 40 GFAB Cc1nc2ccc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)cc2s1 22255235 HHFDSTHBBMKNBR-UHFFFAOYSA-N 397.503 2.777 0 40 GFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(C)Cc1ccccc1F 96794932 OURFMDCUVMQQPI-OAHLLOKOSA-N 392.496 2.881 0 40 GFAB CC(=O)c1cc(S(=O)(=O)N(C)c2nccs2)ccc1Br 95466416 ZFHWGERVNMTZJX-UHFFFAOYSA-N 375.269 2.933 0 40 GFAB CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1 18217893 BLBPPZUNNFDYST-LJQANCHMSA-N 386.540 2.841 0 40 GFAB CCNC(=O)N1CCC(N[C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 97082152 SZXNLQLCAGOFAT-INIZCTEOSA-N 378.904 2.619 0 40 GFAB O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1 9089688 PKDMPKKQKSVHJU-AUSIDOKSSA-N 389.455 2.519 0 40 GFAB biogenic COCCn1nc(C)c(CNC(=O)CNc2ccc(Br)cc2)c1C 72289377 PZCCBJCOTJJLJM-UHFFFAOYSA-N 395.301 2.637 0 40 GFAB O=C1CCCN1Cc1ccc(CNC(=O)N(CCO)CCc2ccccc2)cc1 95958907 JPTHTAHUKGJAFI-UHFFFAOYSA-N 395.503 2.556 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 111882433 APLGNEZKBPWTKN-OAHLLOKOSA-N 382.416 2.538 0 40 GFAB C[C@@H](C(=O)NCCSC(C)(C)C)N(c1cccc(F)c1)S(C)(=O)=O 113968367 RPKCMFCPCLEIKY-LBPRGKRZSA-N 376.519 2.628 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 111882431 XLEKVQGEPFQIJO-INIZCTEOSA-N 396.443 2.929 0 40 GFAB CC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3)cc2)cc1 67896865 GUVPQRHDDCYJLC-UYAOXDASSA-N 382.460 2.785 0 40 GFAB biogenic,in-vitro CCc1cc(C(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)c(C)nn1 548378673 LBMUSCKWOSTNNC-UHFFFAOYSA-N 382.493 2.623 0 40 GFAB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)NC1=S 39556304 QCLSOCWUNLRHBB-ATVHPVEESA-N 396.516 2.731 0 40 GFAB Cn1cc(CN2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)cn1 306125980 DICXYHURPIPNNT-UHFFFAOYSA-N 379.493 2.514 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 39985665 FEBXIHCCQNBTSS-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB O=C(Nc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 216401890 WQWBNJFVLNLBND-UHFFFAOYSA-N 394.880 2.754 0 40 GFAB O=C1NCCN1c1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)ccc1Cl 568051222 PQYJMENKJVIPLE-RDJZCZTQSA-N 385.851 2.818 0 40 GFAB Cc1cc2ccccc2n1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 32249924 REDIOXZJOWFCCR-OAQYLSRUSA-N 377.488 2.967 0 40 GFAB Cc1ccnn1C[C@H](C)CNC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36618996 UMSFCUGEFXAPDR-CYBMUJFWSA-N 393.426 2.501 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cc2ccncc2)cc1 224282902 ORIDRLJNWIYREC-BGYRXZFFSA-N 389.455 2.952 0 40 GFAB Cc1cccc(N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O)c1C 224722538 LLYAOZXGZCGWOF-UHFFFAOYSA-N 384.542 2.781 0 40 GFAB COc1cccc(C2(C(=O)N3CCC[C@@H](C(=O)NCC(F)(F)F)C3)CC2)c1 585081874 TYZGLEAPRWERLI-CYBMUJFWSA-N 384.398 2.644 0 40 GFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)c(C)c1 256049427 ZUSODNHXAFOCAN-UHFFFAOYSA-N 391.475 2.905 0 40 GFAB Cc1ccc(-c2ccc(C(=O)N3CC(N4CCC(C(N)=O)CC4)C3)cc2)cc1 253472639 OAVVNNKPEIPZKO-UHFFFAOYSA-N 377.488 2.684 0 40 GFAB O=C(NCCc1cnc2c(Cl)cnn2c1)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 664976378 UMDLZQKXJFTLLG-DJIMGWMZSA-N 385.830 2.702 0 40 GFAB O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc21 669435286 AQUWTVWLYMKOAK-NVXWUHKLSA-N 385.464 2.519 0 40 GFAB Cc1nn(C)cc1[C@@H]1CCCN1C(=O)NC1CCN(Cc2ccncc2)CC1 675242006 NSWVSUUZLQVTKQ-FQEVSTJZSA-N 382.512 2.635 0 40 GFAB O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1ccc2c(c1)CCO2 96025843 GFQDXAXHCPJBQX-UHFFFAOYSA-N 392.546 2.874 0 40 GFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099414 RSRDFLUUJXQUGS-UHFFFAOYSA-N 385.445 2.748 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 575422015 LSHPZKMXBFYFEZ-QGZVFWFLSA-N 379.503 2.686 0 40 GFAB CNCC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262977 SCMVJKPLLRSWHZ-CQSZACIVSA-N 383.883 2.975 0 40 GFAB CC(=O)Nc1ccc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1 72394255 USVSQOVZNVWLPA-KRWDZBQOSA-N 387.505 2.823 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 72393787 QCCASIZPFMFNSU-ZDUSSCGKSA-N 381.436 2.535 0 40 GFAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 54226674 FCLZRQJWBSZGNS-UZLBHIALSA-N 386.517 2.797 0 40 GFAB COc1cc(S(=O)(=O)N(C)c2c(F)cccc2F)cc(C(=O)O)c1OC 57120443 JBNYBTPDDVLMNB-UHFFFAOYSA-N 387.360 2.505 0 40 GFAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccnc(-c3ncc[nH]3)c2)c1 644869026 ZWOYHIIJPMJDJM-UHFFFAOYSA-N 390.447 2.813 0 40 GFAB O=C(N1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)C1(c2ccccc2)CC1 12113697 NTVYGYXELOYDLB-UHFFFAOYSA-N 392.503 2.783 0 40 GFAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCc1ccc(F)cc1 14001166 BPWNQOFPUHGFIT-UHFFFAOYSA-N 382.370 2.863 0 40 GFAB CC(=O)N1CCc2nc(C3CCN(CCOc4ccccc4F)CC3)ncc2C1 19018866 VAPLYHOWNUUZJK-UHFFFAOYSA-N 398.482 2.779 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cc(CC(C)C)no3)ccc21 19447514 FMLNQNIHRHGHSF-UHFFFAOYSA-N 391.493 2.651 0 40 GFAB CC(C)Oc1cccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1 19450901 HJMWHFHDWLGBIC-UHFFFAOYSA-N 391.475 2.615 0 40 GFAB CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)C1 19499811 ROQVCIKIWWOHOQ-HOTGVXAUSA-N 399.539 2.954 0 40 GFAB COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3CCN3CCCC3)CC2=O)cc1 19556336 TVKNLRTVRVWBOP-RBUKOAKNSA-N 399.535 2.915 0 40 GFAB C[C@H](NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)c1ccccn1 19750636 JBHDXSSOBSLEKC-AWEZNQCLSA-N 394.406 2.512 0 40 GFAB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)NC(N)=O 7098808 YIZKAZZJIGKYIZ-ZROIWOOFSA-N 389.371 2.700 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1 7135858 BTKLWQCXCAVMJU-UHFFFAOYSA-N 384.860 2.604 0 40 GFAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(C(C)C)cc1 4037334 HFTTWJOZPDZNPT-JYLXEMOASA-N 390.476 2.976 0 40 GFAB biogenic Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccccc3)c(-c3ccc(Cl)cc3)cn21 10104608 SDIBSRVWTKPXJZ-UHFFFAOYSA-N 391.818 2.986 0 40 GFAB COC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 14878493 DTBVLPXUQJYSGA-UHFFFAOYSA-N 385.401 2.956 0 40 GFAB Cc1nn(Cc2noc(C(=O)NCc3ccccc3)n2)c(C)c1Br 15082221 LOQAITBAXWINPT-UHFFFAOYSA-N 390.241 2.624 0 40 GFAB O=C(c1cccc(C(F)(F)F)c1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775967905 GEMTYNVJXDZDNA-UHFFFAOYSA-N 377.366 2.912 0 40 GFAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2ncc(Cl)cn2)CC1 585501300 YXGJRRQDAKIVHP-UHFFFAOYSA-N 382.855 2.665 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)cc1 618254697 DJZQCTQKHCUUET-INIZCTEOSA-N 397.456 2.674 0 40 GFAB O=C(CCCOc1cccc(F)c1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19294270 PQEJOLKUEJRXHD-MRXNPFEDSA-N 398.482 2.827 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)[C@H](C)Oc1ccc(C)cc1Br 40140736 FATDOQXBSVGLAJ-ZDUSSCGKSA-N 385.302 2.898 0 40 GFAB CCN(CC(=O)NC(C)C)C(=O)[C@@H](C)Oc1ccc(C)cc1Br 40140734 FATDOQXBSVGLAJ-CYBMUJFWSA-N 385.302 2.898 0 40 GFAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCCN(C(=O)C2CCCC2)CC1 30650030 RETDTNCTVYZFCC-UHFFFAOYSA-N 383.492 2.678 0 40 GFAB COC(=O)C1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 20100416 OLXMFYOXJBWWKQ-UHFFFAOYSA-N 378.900 2.964 0 40 GFAB Cc1cccn2c(=O)cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)nc12 32511160 DQIKBOZMUKUGEO-UHFFFAOYSA-N 382.895 2.974 0 40 GFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1COc2ccccc2O1 32788325 IBYWDDJLJAORIX-HXUWFJFHSA-N 380.444 2.769 0 40 GFAB COc1ccc(OC)c(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c1 23043120 PPXOBKMRMARIGW-UHFFFAOYSA-N 383.492 2.850 0 40 GFAB CCOc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 807690 IIIVERUEPKSGSA-UHFFFAOYSA-N 384.461 2.769 0 40 GFAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2096345 NAHCUSJLJQVSLG-PXAZEXFGSA-N 387.432 2.665 0 40 GFAB biogenic CN1C(=O)[C@@](O)(CC(=O)[C@@H]2CCc3ccccc3C2=O)c2cc(Cl)ccc21 2353607 JPARBIBNMJGEIY-YCRPNKLZSA-N 383.831 2.909 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c(OC)c1 3339234 WXJHFQPXUOPWPJ-CQSZACIVSA-N 397.431 2.808 0 40 GFAB CCOc1ccc(CCNC(=O)COC(=O)c2ccccc2O)cc1OCC 3362160 HTRIRODZVIXTTL-UHFFFAOYSA-N 387.432 2.705 0 40 GFAB COCCNC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 3605436 FGMCSGAYBXCXFZ-UHFFFAOYSA-N 386.452 2.928 0 40 GFAB COc1cc(C2=NO[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc(OC)c1OC 4111473 YUDZGTCHSGKBDT-GOSISDBHSA-N 388.395 2.661 0 40 GFAB COCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccco1 4161499 NZRGQPIWNBGJCZ-UHFFFAOYSA-N 376.438 2.576 0 40 GFAB CCOc1cc(CNC(C)(C)CO)ccc1OCC(=O)NC1CCCCC1 4657466 VTMDUPTYSIAJRQ-UHFFFAOYSA-N 378.513 2.774 0 40 GFAB COc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)N2CCCCC2)cc1OC 4740018 PMCYPVOBYRCIBL-QGOAFFKASA-N 395.459 2.882 0 40 GFAB O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)NCc1ccccc1 5388371 SYVQLCCWXVQIDE-UHFFFAOYSA-N 398.260 2.989 0 40 GFAB Cn1cnc2c1c(=O)n(CCCSc1c(Cl)cccc1Cl)c(=O)n2C 5754191 ZWVXKLDDHIMEGN-UHFFFAOYSA-N 399.303 2.923 0 40 GFAB CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(OC)cc1 5853543 LHSJSZOSWVBBSA-UHFFFAOYSA-N 394.460 2.828 0 40 GFAB COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@H]23)cc1 6137703 AIBKEIMECBLSCC-MTQWCTHYSA-N 390.480 2.948 0 40 GFAB biogenic,in-vitro COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1cccnc1 6660274 UGSFFFRKWPHXMQ-LJQANCHMSA-N 393.443 2.694 0 40 GFAB CCNc1nc(NC(C)C)nc(OCCNC(=O)Nc2ccc(Cl)cc2)n1 6745508 RGLZLHJBIXLZOM-UHFFFAOYSA-N 393.879 2.978 0 40 GFAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccco1 6815871 PFLNZNBXBMNMJZ-UHFFFAOYSA-N 393.490 2.581 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccc(Br)o2)C1=O)N1CCCC1 6883852 GGQDSTSIIFETQU-JXMROGBWSA-N 385.239 2.701 0 40 GFAB COc1ccccc1C(=O)NCC(=O)OCc1cc(=O)oc2cc(C)c(C)cc12 7238363 ZMCTXXPWUVSCEE-UHFFFAOYSA-N 395.411 2.892 0 40 GFAB C[C@@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1cccs1 7346030 LNPNHXHDPWARNO-CYBMUJFWSA-N 388.518 2.845 0 40 GFAB CC(C)C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 7421316 AFLZBMHOOUORMW-QGZVFWFLSA-N 386.473 2.735 0 40 GFAB O=C(CCSc1ccccc1)NC(=O)COC(=O)c1ccc(Cl)nc1 7786065 DSWANUGHFSTFJR-UHFFFAOYSA-N 378.837 2.717 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 8039316 JEPRQZUZMZGCFW-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 8237940 QIMAFDUCUFZRSQ-UHFFFAOYSA-N 398.440 2.973 0 40 GFAB CN1C(=O)N(Cc2nc3ccc(Cl)cc3n2CCO)C(=O)C12CCCCC2 8720002 ZIYZQOTVZNTTSN-UHFFFAOYSA-N 390.871 2.779 0 40 GFAB C[C@@H](NC(=O)CNC(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 9156579 BXBUYUOZAZRPFV-LLVKDONJSA-N 388.374 2.772 0 40 GFAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccccc2)cc1 9238798 GWJYBYCEVLOHLE-ZWKOTPCHSA-N 379.489 2.970 0 40 GFAB O=C(Nc1nccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9547876 HDLQLUCFAZYYLL-NSHDSACASA-N 385.898 2.836 0 40 GFAB Cn1cc(C(=O)Nc2cc(F)ccc2F)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 9659585 OXBULUNZSNIQMJ-UHFFFAOYSA-N 396.353 2.548 0 40 GFAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCN(c2nccs2)CC1 10270693 HOJBGBZPMSUYQY-UHFFFAOYSA-N 397.479 2.919 0 40 GFAB O=C(CNc1cc(F)cc(F)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10630391 LWOJSZLZHMFWFS-QGZVFWFLSA-N 380.416 2.597 0 40 GFAB C[C@H](CNC(=O)Cn1cccc2cc(-c3ccc(F)cc3)nc1-2)n1cncn1 12220735 LSGNELJPMQXJPV-CQSZACIVSA-N 378.411 2.763 0 40 GFAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1 12630947 UUVSKATVPJPJFX-AWEZNQCLSA-N 386.883 2.841 0 40 GFAB COc1cc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc(OC)c1OC 12825108 DBRQPHJGAJMWET-UHFFFAOYSA-N 398.415 2.614 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccnc1O 12880900 MIAXXJDFJHQKTQ-UHFFFAOYSA-N 378.226 2.569 0 40 GFAB CC[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 12911449 AIMJIGBFBXQRLT-KRWDZBQOSA-N 385.489 2.691 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CCn3cnc4ccccc4c3=O)cnc21 12995647 ALVKACMLPYCOAP-UHFFFAOYSA-N 376.420 2.751 0 40 GFAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc(C(=O)OC)c1 13006958 RPNNWFLMNCKKNK-UHFFFAOYSA-N 393.461 2.701 0 40 GFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 13427361 NDHGKNCDUVZCCV-GOSISDBHSA-N 382.416 2.768 0 40 GFAB CCCCN1C(=O)[C@](NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1O 13570346 HRQYPPPPCOKKIK-CQSZACIVSA-N 377.750 2.885 0 40 GFAB CCN1CCN(c2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)CC1 13843933 HNXKKPYSWPIGGG-UHFFFAOYSA-N 387.534 2.814 0 40 GFAB O=C(CNC(=O)c1ccccc1Br)NCCc1cccc(F)c1 14141706 NVKTVOSJWIZQCU-UHFFFAOYSA-N 379.229 2.677 0 40 GFAB Cn1nc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)ccc1=O 14197428 IZKHAZSKIBARAK-UHFFFAOYSA-N 378.219 2.584 0 40 GFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)C1=O 15858388 UINHFOZBYPDITF-LBPRGKRZSA-N 392.864 2.929 0 40 GFAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19336678 QIDBSOATDLKXAA-KRWDZBQOSA-N 393.422 2.894 0 40 GFAB O=C(c1ccccc1F)N1CCCc2cc([C@H](O)CN3CCOCC3)ccc21 19347581 VOBYHIPHXXOKJK-OAQYLSRUSA-N 384.451 2.784 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 19566998 UJDDBBFFRBJPCO-LBPRGKRZSA-N 376.434 2.832 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)Nc2cc(-c3csnn3)ccc2C)C1=O 19715282 YOTBTWSDYVXUDP-UHFFFAOYSA-N 387.465 2.563 0 40 GFAB C[C@H](OC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21850362 YSDWYGVBDKJGFM-WRWORJQWSA-N 378.734 2.508 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22786806 WJFYWKBCMAEBKR-PXJGXZIMSA-N 396.535 2.776 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1Br 25236618 QVDGJFRMFWRONC-UHFFFAOYSA-N 393.237 2.649 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2OC(F)F)s1 25882541 YVPXXMGNPPHKJJ-UHFFFAOYSA-N 390.433 2.530 0 40 GFAB O=C(NCCCn1ccnc1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973201 BKSLRJBFAMXEDA-UHFFFAOYSA-N 393.369 2.955 0 40 GFAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl)c1ccccc1 28207865 WVFLBWHRQVZQDF-ZDUSSCGKSA-N 396.896 2.847 0 40 GFAB Cc1ccn(-c2ccc(NC(=O)c3ccn(Cn4nc(C)cc4C)n3)cc2)n1 28242070 XGMKAWYKGIIUQP-UHFFFAOYSA-N 375.436 2.949 0 40 GFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCC2=CCCCC2)Oc2ccccc21 38852469 CECYWVJKRBHSRD-SFHVURJKSA-N 378.494 2.610 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2ccccc2NC(=O)NC(C)C)CC1 40009650 ZNFXANAPTMTNEK-UHFFFAOYSA-N 376.457 2.567 0 40 GFAB Cc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)[nH]c2c1 40058471 RXVGROAMIMDXGH-UHFFFAOYSA-N 389.502 2.685 0 40 GFAB CCc1c(C(=O)NCCO[C@H]2CCCC[C@H]2C)cnn1-c1ccc(OC)nn1 40113213 OVFANLAADZOFGO-PBHICJAKSA-N 387.484 2.558 0 40 GFAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1 40150739 VVZWNWQWLXBVKT-CQSZACIVSA-N 389.315 2.982 0 40 GFAB CCc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2cccs2)n1 48289793 LYJMCERDWFPFIL-GOSISDBHSA-N 396.516 2.979 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 54362796 AOOIDQSWFINTSJ-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB O=C1CCCN1C[C@H](NS(=O)(=O)c1cccc2cnccc12)c1ccccc1 55244988 WUVCHZBEAQNVAS-IBGZPJMESA-N 395.484 2.877 0 40 GFAB COc1ccccc1-c1cc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)[nH]n1 58004022 ZENYXSHSEFWHIS-UHFFFAOYSA-N 393.378 2.573 0 40 GFAB O=C(Nc1ccnn1C[C@H]1CCOC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 58008109 JEHMPNJCTQVGOL-KGLIPLIRSA-N 388.855 2.565 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NC[C@H]2Cc3ccccc3O2)c1 58086178 CKLDZTRWOCIUPK-GFCCVEGCSA-N 380.853 2.869 0 40 GFAB COCCN(C)C(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)C1 58370792 QWSHBFLJAPPFAT-IEBWSBKVSA-N 390.524 2.921 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 62689631 HFDPWGQBDFKAME-KRWDZBQOSA-N 394.880 2.519 0 40 GFAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NC4CCCC4)nc23)c(C)c1 65151087 RNLRBRPHWAXXLA-UHFFFAOYSA-N 397.504 2.718 0 40 GFAB CCOC(=O)CCN(C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C1CC1 65553269 IETSTSNGFQHWCG-UHFFFAOYSA-N 387.480 2.875 0 40 GFAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@H]2CCC(=O)N2)C3)cc1 67338803 ZDWSWUOYNPKNEU-LJQANCHMSA-N 392.459 2.802 0 40 GFAB O=C(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 67787048 VIMWEYDZGAJLNF-UHFFFAOYSA-N 394.880 2.542 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1F 70762677 SPXZGSDNPNCEMD-AWEZNQCLSA-N 381.322 2.693 0 40 GFAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCC1(C(N)=O)CCCC1 72286121 NGWGMEQZRPWNMS-UHFFFAOYSA-N 375.469 2.957 0 40 GFAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2cc(C)oc2C(F)(F)F)cc1 72321701 LOMFLLWORWOMHY-DTZQCDIJSA-N 399.365 2.623 0 40 GFAB biogenic,in-vitro O=C(CCn1ccnc1)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347971 HGIXGXRUGGDDPF-AWEZNQCLSA-N 392.385 2.900 0 40 GFAB CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(OC)c1)C(=O)C2 72371890 KQZXCBJHTKHZSZ-GOSISDBHSA-N 394.475 2.956 0 40 GFAB Nc1c(Cl)cc(S(=O)(=O)Nc2cnn(-c3ccncc3)c2)cc1Cl 78877897 OXIURLCVCILWQS-UHFFFAOYSA-N 384.248 2.957 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc(C(C)(C)C)cs1 79484985 IOCOAGMCGYPZHT-GFCCVEGCSA-N 396.538 2.866 0 40 GFAB CCOc1ccc(CN(C)CC(=O)NC(=O)NC2CCCCC2)cc1OC 89267891 NBGOCPOACHKNCJ-UHFFFAOYSA-N 377.485 2.684 0 40 GFAB CCS(=O)(=O)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948963 OYLGPLJOOOQIGJ-UHFFFAOYSA-N 388.415 2.510 0 40 GFAB CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(Cn2cc(Br)cn2)o1 95974566 LNJSOYMWPRISCK-FZMZJTMJSA-N 382.258 2.520 0 40 GFAB C[C@H](NCCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)OC(C)(C)C 95996236 MJDPOLMLHCBTDE-HOTGVXAUSA-N 377.533 2.925 0 40 GFAB CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 95999511 UJPOKFXGPUURBH-OAHLLOKOSA-N 398.492 2.622 0 40 GFAB Cn1cc([C@H](O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21 96096542 WYZNXUMCNSNSRA-QGZVFWFLSA-N 389.814 2.759 0 40 GFAB COc1ccc(C2(C(=O)NCCc3nc4ccccc4[nH]3)CCOCC2)cc1 96116098 AIZYJUFFQQLPKZ-UHFFFAOYSA-N 379.460 2.979 0 40 GFAB biogenic COc1ccccc1NC(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 96269074 IRKBVOBGNFESID-QGZVFWFLSA-N 398.438 2.988 0 40 GFAB biogenic,in-vitro Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(c2ccccc2)C1=O 101983963 BDPAVTCSZHYZGE-CQSZACIVSA-N 387.399 2.810 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 103134845 IIVSGLAGBKLNIF-GRDNDAEWSA-N 380.391 2.955 0 40 GFAB C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 104618219 NEJXFSGIOQYHAZ-YHUYYLMFSA-N 388.464 2.857 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104749880 LTDCNTFCOOIILU-TUUVXOQKSA-N 390.480 2.906 0 40 GFAB CC1([C@@]2(O)CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)OCCO1 118926411 KZHAEHCUKWOTPE-XOANRKOFSA-N 394.552 2.855 0 40 GFAB Cc1ccc(Oc2cccc(C(=O)NCc3cc(C)nc(N(C)C)n3)c2)nn1 211103365 MQEUYHJYMLREAC-UHFFFAOYSA-N 378.436 2.672 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218577584 NQWHGFAYSLADNL-JFIYKMOQSA-N 379.865 2.618 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 223060139 GNTMNUQUOWVHDX-HXUWFJFHSA-N 384.476 2.936 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223360371 VOLREFZZUJRRCV-INIZCTEOSA-N 390.505 2.817 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c(Cl)cc21 223364707 ZEVSJBXMQDNIBC-UHFFFAOYSA-N 396.808 2.797 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 223548377 FTPFJYWTWXPPER-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3=CCCCC3)C2)cc1 224215235 VXVPBJDENQGTHK-QGZVFWFLSA-N 392.521 2.713 0 40 GFAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(OC)c(C)c1 224577597 KXLHNNBTXMVLBS-SJORKVTESA-N 382.526 2.633 0 40 GFAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224860553 RCHZSOVLOOSYFB-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB Cc1ccc(-c2nnc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)s2)cc1 225106326 XPENDUWUUQZZFT-GASCZTMLSA-N 396.472 2.793 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1C 225804833 BLIVZBCGHHTKRO-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB Cc1nn(CCNC(=O)Cn2c(=O)oc3ccccc32)c(C)c1-c1ccccc1 238814278 BBLYMKVKEFGMCS-UHFFFAOYSA-N 390.443 2.891 0 40 GFAB O=C(NCC1CCN(C2CCSCC2)CC1)C(=O)Nc1cc(F)ccc1F 245180744 ZIZKDIAWGVCZLX-UHFFFAOYSA-N 397.491 2.627 0 40 GFAB COc1ccc(N(CCCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 250587122 SRZLBDWLSQACBK-RLFYNMQTSA-N 380.510 2.546 0 40 GFAB Cc1ccc(N2C[C@@H](CNC(=O)c3ccnc(OCC4CC4)c3)OC2=O)cc1 253407132 VPRPLRHXXCAUQJ-GOSISDBHSA-N 381.432 2.934 0 40 GFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[C@H]1CCCO1)[C@]1(C2)NC(=O)c2ccccc2O1 253596916 XZNQWQJQXLWDJQ-FIKDTRSESA-N 384.476 2.627 0 40 GFAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 257211589 BZLBTBADXWHLQT-OAHLLOKOSA-N 396.900 2.681 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CC(c2ccnc(Nc3ccccn3)n2)C1 257246760 IVSRQQWXQIUACE-UHFFFAOYSA-N 385.424 2.542 0 40 GFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1C 408601794 HKRYVZHTVHMBON-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)C4CC4)C[C@H]2N(C)C3=O)c1 514289748 NYUUYVOEISDZBD-CTNGQTDRSA-N 392.455 2.816 0 40 GFAB biogenic,in-vitro COc1ccc2c(ccn2CCC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)c1 524731697 HTLXOZJFJCVCTJ-MMOPVJDHSA-N 395.503 2.899 0 40 GFAB biogenic Cc1sc(-n2cnnn2)c(C(=O)N[C@@H](C)c2nc3ccccc3n2C)c1C 524735276 NLTDLMHEEGZKIN-NSHDSACASA-N 381.465 2.718 0 40 GFAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 525009957 IOUXSWNSVIJXSB-SNVBAGLBSA-N 394.474 2.563 0 40 GFAB C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-n2ccnc2)cc1 551115698 LNPXGRZQZHZFJA-INIZCTEOSA-N 384.505 2.973 0 40 GFAB COc1nc(C)cc(C)c1CN1CCN(C(=O)c2c(F)cccc2F)CC1 554209762 HXSJOMCSEPZTDB-UHFFFAOYSA-N 375.419 2.943 0 40 GFAB CCC(=O)N[C@@H](C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccccc1 566344232 JARXNKIWMSSHEO-HXUWFJFHSA-N 397.406 2.685 0 40 GFAB Cc1c(Cl)cc(F)c(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c1F 573324412 DYWIPPMLAZYBMO-NSHDSACASA-N 385.802 2.879 0 40 GFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3ccoc3)o2)c1 575611031 SXLJAGXOXYWEDY-UHFFFAOYSA-N 391.401 2.813 0 40 GFAB COc1cccc(-c2cc(C(=O)NCCn3cc(-c4ccoc4)cn3)n(C)n2)c1 575616093 WFDDKPZTUJGIPF-UHFFFAOYSA-N 391.431 2.982 0 40 GFAB O=C(NC1CCN(c2ccccn2)CC1)N1CCCN2c3ccccc3C[C@H]2C1 576753335 PSQLFRIICXKQAT-FQEVSTJZSA-N 391.519 2.897 0 40 GFAB COc1cccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@@H]32)c1 585107955 LXUYZONAOVRDRA-ICSRJNTNSA-N 386.517 2.899 0 40 GFAB CC[C@@H](C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 585138455 RQVUGGZDLFPGNQ-OAHLLOKOSA-N 399.495 2.983 0 40 GFAB CCN1CCN(C(=O)CCN)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183566 BNXBRJFRCPFZEZ-IBGZPJMESA-N 397.494 2.691 0 40 GFAB COc1ccccc1CC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 588136878 WZOWFDVJKWIXRW-UHFFFAOYSA-N 391.475 2.830 0 40 GFAB CCCN1CCC2(CCCCOCCCNC(=O)[C@H]([C@@H](C)CC)NC2=O)CC1 643581488 HDJUSNFALLZGFP-OALUTQOASA-N 395.588 2.716 0 40 GFAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)Cc3ccccc3F)C2)nc1 1775970130 CMAVXINCEQHSPO-HNNXBMFYSA-N 379.457 2.545 0 40 GFAB Cc1ccc(CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c(C)c1 1889128374 CTPSMQWDZZBFFS-UHFFFAOYSA-N 381.524 2.561 0 40 GFAB CCN=c1nc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc[nH]1 2086889476 GPIKPVYSMLMXGI-UHFFFAOYSA-N 380.521 2.776 0 40 GFAB O=C(CN1CCOC1=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2086988819 ZJUWQRFHQHJCMQ-UHFFFAOYSA-N 380.448 2.665 0 40 GFAB CC[C@]1(C)CC2=C(CO1)S[C@H]1N=NN(CC(=O)NCc3ccco3)C(=O)[C@@H]21 105106759 MZTMBVBBWFQEPU-LZLYRXPVSA-N 390.465 2.637 0 40 GFAB CC(=O)N[C@@H](N(C)S(=O)(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 849629 OYXHGSFFDDYRBL-JTQLQIEISA-N 394.107 2.793 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Sc2nncn2C)c(OC)c1 55048356 ZLDJJJHLCVYSOK-IUODEOHRSA-N 376.482 2.677 0 40 GFAB C/C=C/CS(=O)(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 79061121 DFQIKXFBVFUVJA-OOPCZODUSA-N 376.272 2.549 0 40 GFAB CCc1ncc2c(n1)CN([C@H](C)C(=O)Nc1ccc3c(c1)OCCCO3)CC2 106374353 QAERUWAWVWMPEZ-CQSZACIVSA-N 382.464 2.586 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](c2cccc3ccccc23)NC(=O)N[C@]1(O)C(F)(F)F 6439239 YXVBNKFETFKJDP-JJRVBVJISA-N 382.338 2.624 0 40 GFAB CNC(=O)NC(=O)CN(Cc1ccc(OC)cc1)[C@@H](C)Cc1cccs1 35286848 XBQSYPGSTXMMRY-AWEZNQCLSA-N 375.494 2.646 0 40 GFAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)S(C)(=O)=O)c1 10313872 OJNLWJCKQUHLMB-CQSZACIVSA-N 390.461 2.795 0 40 GFAB COC(=O)COc1cc(Br)c(C(=S)N2CCCC2)cc1OC 107606696 CCRNTJSWEKKHDT-UHFFFAOYSA-N 388.283 2.781 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2Cl)cc1 8158368 QBQRLXWKCDQXFO-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB CCN(CC)CC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 58077825 BSTKHPXHJHCXHC-UHFFFAOYSA-N 386.945 2.694 0 40 GFAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 9418964 QMIDVXTWZINTMO-RYUDHWBXSA-N 375.313 2.544 0 40 GFAB CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2cc(Cl)cn2C)cc1 84621977 DFJZKDRPOFXGNG-UHFFFAOYSA-N 399.900 2.524 0 40 GFAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(OC)c1 248077460 HTTLDRDDJCUJHW-SFHVURJKSA-N 382.460 2.677 0 40 GFAB Cc1ccccc1OCCC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 36408667 CBKCOZKUKSWTJJ-UHFFFAOYSA-N 399.466 2.686 0 40 GFAB COc1ccccc1CN(CC(=O)Nc1c(C)nn(C)c1C)C[C@H]1CCCO1 58919389 YQEFGRILXPQLNX-GOSISDBHSA-N 386.496 2.665 0 40 GFAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 28958667 AXAANAFCIWWMDI-UHFFFAOYSA-N 383.448 2.919 0 40 GFAB CCN(C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C1CCCCC1 36851989 LXCHZHBYBQXCEV-UHFFFAOYSA-N 386.448 2.678 0 40 GFAB CCOc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1OCC 11655053 IYXBSDAWEBUPHH-UHFFFAOYSA-N 392.477 2.703 0 40 GFAB Cc1nc2ccc(NC(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C3CC3)cc2s1 29647325 XAEFYHDRDOAAQU-UHFFFAOYSA-N 393.428 2.590 0 40 GFAB CCn1cc(C(=O)Nc2ccccc2N2CCOCC2)c(=O)c2ccc(C)nc21 2622446 HRNQSMMKGPHSIW-UHFFFAOYSA-N 392.459 2.814 0 40 GFAB CCn1ccnc1/C=C/C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 95451539 JLIXXRIUTWOHKG-HSBSLETESA-N 376.407 2.913 0 40 GFAB C[C@@H]1CN(c2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cn2)C[C@@H](C)O1 48272608 CZZXUTUIRACZHC-GHMZBOCLSA-N 393.373 2.895 0 40 GFAB CCCc1nn2c(N)c(C(=O)OCC)nnc2c1-c1ccc(OC)c(OC)c1 20636082 IIIMPOOMLWOPFC-UHFFFAOYSA-N 385.424 2.520 0 40 GFAB CN1CCCN(C(=O)CCNC(=O)c2ccccc2)c2nc3ccccc3nc21 12768788 MLDVSUODUXXSPN-UHFFFAOYSA-N 389.459 2.623 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc2c(c1)CCC2 3378521 SDTAWUIZXKBTMF-JOCHJYFZSA-N 375.428 2.507 0 40 GFAB O=C(CS[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)Nc1ccccc1 20634686 ZUZAEKKXIQZBEG-OAHLLOKOSA-N 376.384 2.969 0 40 GFAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12914419 CDINYWUDMCEFBC-OXJNMPFZSA-N 394.427 2.911 0 40 GFAB CC(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)n(C)c1 96001871 IIBKHEHNISXLEZ-MRXNPFEDSA-N 396.451 2.769 0 40 GFAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 39995429 WGFUUZPFYUMRSG-NSHDSACASA-N 376.400 2.679 0 40 GFAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc(Cl)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4347041 WLUSHOBOGRNGTN-SRTKAIALSA-N 384.812 2.642 0 40 GFAB CCCN1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O 14242283 XPNRGDFWVFCUQS-QGZVFWFLSA-N 383.473 2.854 0 40 GFAB COc1ccccc1COC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 5486599 GRSAXUYCISVBMQ-OAQYLSRUSA-N 382.416 2.514 0 40 GFAB O=C(CNC(=O)[C@H]1COc2ccccc2O1)Nc1cc(Cl)ccc1Cl 5511698 JNLLBBLRMKHESZ-OAHLLOKOSA-N 381.215 2.888 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCC2 6642774 FISUMQYQAPGQFS-BQYQJAHWSA-N 388.420 2.670 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCCC2)cc1OC 408582889 FREADYYOUJGAQS-CQSZACIVSA-N 398.525 2.600 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 67482287 PMFPIZKGFQRNRD-YWZLYKJASA-N 391.471 2.592 0 40 GFAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC[C@H](C)c1ccccc1 7679640 PKXNQNROTYFWLN-LSDHHAIUSA-N 378.428 2.993 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc2C1=O 7969759 YYVPGHWHSSFFBS-UHFFFAOYSA-N 398.415 2.589 0 40 GFAB O=C(CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)N1CCOCC1 7947635 PHHMFGHFJZGWNQ-LJQANCHMSA-N 390.530 2.923 0 40 GFAB COC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1cc(C)ccn1)C(F)(F)F 19944126 RHESORRIASPPJC-KRWDZBQOSA-N 381.354 2.972 0 40 GFAB CCOC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OCC)C1 70924411 XFUMJTGPCNISDD-HKUYNNGSSA-N 388.508 2.965 0 40 GFAB O=C1Cc2cc(S(=O)(=O)Nc3c(F)c(F)c(F)c(F)c3F)ccc2N1 95466265 SSOFTLMOVRCLPY-UHFFFAOYSA-N 378.278 2.678 0 40 GFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]1CCn2cncc2C1 95972716 LOOKIWLOTCFQRG-LBPRGKRZSA-N 394.397 2.740 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN([C@H]2CCCC[C@H]2O)CC1 89768435 GQJQXQCPHMIQSH-LSDHHAIUSA-N 393.336 2.603 0 40 GFAB O=C(NC1CCN(C(=O)c2cnc3ccccc3n2)CC1)c1ccc(F)cc1 25213940 YJRVAKDWWRCFOP-UHFFFAOYSA-N 378.407 2.804 0 40 GFAB Cc1nccn1-c1cncc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 72378747 PWDZOFDCIYJAKT-KRWDZBQOSA-N 387.440 2.636 0 40 GFAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 38836314 OMNZALSRRKNOKR-KRWDZBQOSA-N 393.915 2.853 0 40 GFAB O=c1cccc2n1[C@@H]1C[C@H](C2)CN(Cc2nc(-c3cccnc3Cl)no2)C1 72389685 NCMAVXWCCOAJGL-GXTWGEPZSA-N 383.839 2.566 0 40 GFAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1 35425212 HLIITFVCCGTCEJ-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro COCCN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 62018190 GIYOFTPNXXVLQZ-MRXNPFEDSA-N 387.867 2.763 0 40 GFAB CCOCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(Cl)c1 36615208 ZEDBXEWZAHCXNJ-MRXNPFEDSA-N 392.843 2.809 0 40 GFAB Cn1cc([C@H]2CN([C@H](C(=O)O)c3ccc(Br)cc3F)CCO2)cn1 563541598 NCMHRSQIYUIUAP-CABCVRRESA-N 398.232 2.521 0 40 GFAB Cc1nonc1NC(=O)CN1CCC(c2nccnc2Oc2ccccc2)CC1 72362428 WQNOBXOYYZGJSI-UHFFFAOYSA-N 394.435 2.778 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)cnc12 40118863 LRIWCMQSQHYDJI-CALCHBBNSA-N 384.524 2.579 0 40 GFAB NC(=O)C1CCN(c2nc(NCCc3ccccc3)c3ccccc3n2)CC1 41153179 ROKQOFMJLYFZDJ-UHFFFAOYSA-N 375.476 2.986 0 40 GFAB O=C(NCc1ccccc1CN1CCCC1=O)c1cccc(N2CCCC2=O)c1 192834514 ZYJQGMOEXCNOMY-UHFFFAOYSA-N 391.471 2.866 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 224047251 WUOHAHYSZYPDEE-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB COc1ccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)c(OC)c1OC 44882885 HZAOPMUBJMUEQX-UHFFFAOYSA-N 381.432 2.887 0 40 GFAB COc1ccc(Cl)cc1NC(=O)NCc1nc(C)cc(N2CCOCC2)n1 96120920 JCTOHFPRZSDACH-UHFFFAOYSA-N 391.859 2.605 0 40 GFAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCN1CCOCC1 95473692 KBKOISACKJFGKR-SFHVURJKSA-N 375.900 2.764 0 40 GFAB Cc1nc(CN2C(=O)COC3(CCN(Cc4nccs4)CC3)[C@H]2C)cs1 96062282 JWKQQTVUBWYVQK-CYBMUJFWSA-N 392.550 2.690 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)C2)c1F 244983768 IQNODCJXMFVCEG-CQSZACIVSA-N 384.411 2.962 0 40 GFAB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)(C)O)C2 253504633 HXFDWGKUUFPMRG-LQRIDTQKSA-N 397.515 2.686 0 40 GFAB biogenic,in-vitro O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N1CCC[C@H](c2nc3ccccc3o2)C1 654637506 KYQOQWPUYUDBPJ-BBRMVZONSA-N 396.451 2.887 0 40 GFAB O=S(=O)(Cc1nc2ccccc2n1C[C@@]1(O)CCCOC1)c1ccccc1 656694604 SKFGRNARRTZMGJ-FQEVSTJZSA-N 386.473 2.552 0 40 GFAB O=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccccc1F 96121742 IOZAUWTWCQQASL-UHFFFAOYSA-N 386.452 2.940 0 40 GFAB Cc1cccc(COC[C@H]2CN(C(=O)c3cccc(O)c3)Cc3ccnn32)n1 575405100 SAPCFGWDJYGAFQ-LJQANCHMSA-N 378.432 2.706 0 40 GFAB O=S(=O)(Cc1noc2ccccc12)N1CC[C@@H](Oc2ccncc2Cl)C1 575611356 VRMCXJKXJWXOOG-GFCCVEGCSA-N 393.852 2.859 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc12 44717746 RDEUPBLGYKABTP-ZDUSSCGKSA-N 389.502 2.560 0 40 GFAB Cc1nc(C)c(Cn2c(=O)c3c(ncn3CC(C)C)n(CC(C)C)c2=O)s1 97009568 DGPIPOOKZIPPQP-UHFFFAOYSA-N 389.525 2.793 0 40 GFAB Cc1cc(C)c(-c2cc([C@@H](O)[C@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@H]3O)on2)c(C)c1 5665574 DMYYEBJEPXKXRC-ZRSRNVLSSA-N 375.421 2.538 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)cc1Cl 11176868 IFMSFVUWZYVTMT-UHFFFAOYSA-N 384.797 2.593 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116145 ABCFLMJNACOXJY-LJQANCHMSA-N 387.447 2.835 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)/C=C/c2sccc2C)c(=O)[nH]c1=O 12983238 OCSPBRSMQUJREU-BQYQJAHWSA-N 390.509 2.745 0 40 GFAB CCCN1C(=S)N[C@@H](c2ccc(F)cc2)C(C(=O)N2CCOCC2)=C1C 13063241 KWEVTNHWJVXVMM-KRWDZBQOSA-N 377.485 2.600 0 40 GFAB O=S(=O)(NCCC1=CCCCC1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585657 SXIWCXPHWHQFBO-UHFFFAOYSA-N 394.518 2.894 0 40 GFAB CCOC(=O)[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 13998602 NYQSTBGEHWLGGC-IBGZPJMESA-N 382.460 2.948 0 40 GFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19345629 DTJUQVXIXMAFCX-FQEVSTJZSA-N 390.531 2.950 0 40 GFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@H](CN(C)C)C3)cc2N1 19520564 DZGJQQSGIWBNQB-UMVBOHGHSA-N 387.450 2.995 0 40 GFAB COCC(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(-c4ccccc4OC)nn3c1C2 19592696 QWAUSUZPSZMMPB-SUMWQHHRSA-N 378.432 2.640 0 40 GFAB C[C@]1(CC(=O)NCc2cccc(N3CCCCC3)c2)C(=O)N=C2C=CC=CN21 19661966 MKORYICOYCMMBS-QFIPXVFZSA-N 378.476 2.766 0 40 GFAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544697 FIIWXXYPBQBCQC-ULQDDVLXSA-N 396.466 2.693 0 40 GFAB O=C(NC[C@H]1CCCO1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156642 NKWOFFQHKJBSDF-QZTJIDSGSA-N 390.455 2.801 0 40 GFAB COc1nn(C)cc1C(=O)N1CCC[C@H](N(C)c2ncccc2C(F)(F)F)C1 1889136114 CZXRGFKHPTVXOY-LBPRGKRZSA-N 397.401 2.584 0 40 GFAB O=C(c1cnc(O[C@@H]2CCOC2)c(Cl)c1)N1CCn2c1nc1ccccc12 238954493 XQSQHSSNUJVCDG-CYBMUJFWSA-N 384.823 2.913 0 40 GFAB CCn1cc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037988983 PZIDMILKECCHLN-NRFANRHFSA-N 386.471 2.830 0 40 GFAB COc1ccc(CN2CCO[C@]3(CO[C@@H](C(=O)NC4CCCCC4)C3)C2)cc1 2056226091 KAGVXKXRFXUMDW-IRLDBZIGSA-N 388.508 2.504 0 40 GFAB COC(=O)[C@@H]1C[C@H](N2CCCC2)CCN1C(=O)c1cc(OC)ccc1Cl 1565550882 JHKHXBNBEHCSSP-DYVFJYSZSA-N 380.872 2.591 0 40 GFAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3F)CC2=O)cc1 9036116 UPJDDIJSYLREBD-CQSZACIVSA-N 392.452 2.556 0 40 GFAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978010 MILFXORZLDLPSB-MRXNPFEDSA-N 391.518 2.777 0 40 GFAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccccc1Br)C2 618256258 FQKAFZBHRZVXEN-LBPRGKRZSA-N 375.270 2.592 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)NCCS(=O)(=O)c1ccc(Cl)cc1 54230511 RTKUVNPHESYBHB-UHFFFAOYSA-N 376.865 2.954 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)CCn2sc3ccccc3c2=O)n1 40286585 IWHOWJLIDUWPLL-UHFFFAOYSA-N 391.474 2.654 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@@H]32)cc1 102001649 SPEMQPCIQJLGQZ-PKOBYXMFSA-N 391.431 2.544 0 40 GFAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102203913 GLBFXFWCXUATLV-FHIRATQRSA-N 384.929 2.901 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cccc(C(F)(F)F)c1=O 32905956 XGKWDQSRFUOBHI-NSHDSACASA-N 379.338 2.631 0 40 GFAB Cc1cccc([C@@H](CC(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)NC(N)=O)c1 41400728 CRYHSAYBFZVBFN-UXHICEINSA-N 388.556 2.967 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc12 23191008 SIRMHJCRHABNHW-HNNXBMFYSA-N 395.438 2.907 0 40 GFAB O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 957114 SCJSHXHDXJXNDP-UHFFFAOYSA-N 385.826 2.972 0 40 GFAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCC(N)=O 1464083 ZDWUJYDXOVNECS-UHFFFAOYSA-N 395.411 2.966 0 40 GFAB biogenic O=S(=O)(O)c1ccc(-c2ncc(-c3cccc(S(=O)(=O)O)c3)o2)cc1 2306906 KATYLMGXQOZSKM-UHFFFAOYSA-N 381.387 2.502 0 40 GFAB COc1ccc([C@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1 2635339 OETXAPMIPBUPOF-OALUTQOASA-N 390.443 2.620 0 40 GFAB CCN(CC)C[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C 2781174 TXVHCACYJLHXBL-SECBINFHSA-N 399.255 2.819 0 40 GFAB CCOC(=O)c1sc2ncn3nc(-c4c(Cl)cnn4C)nc3c2c1C 2787920 OBXQCVUTKNTGME-UHFFFAOYSA-N 376.829 2.878 0 40 GFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCCCC1 2938204 VRYIADFHRIGOOG-LJQANCHMSA-N 390.480 2.728 0 40 GFAB CCOC(=O)/C=C/c1cc(/C=C/C(=O)OCC)c(NC(C)=O)cc1NC(C)=O 3845034 DWUAQEPBWCLJHY-FIFLTTCUSA-N 388.420 2.756 0 40 GFAB COCCN(C(=O)C1CC1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 4881183 AIELGHHUMXITBD-UHFFFAOYSA-N 393.465 2.620 0 40 GFAB C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)C1 4973404 DIIAUYYRLXBGJU-CYBMUJFWSA-N 382.489 2.715 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1cccc(Cl)c1 4984898 ODMOOSUWPPJQAZ-QGZVFWFLSA-N 383.835 2.930 0 40 GFAB COCCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2ccccc2c1=O 5015806 ZHPSGVBNZDFLCP-GDBMZVCRSA-N 389.521 2.830 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C 5326492 HTFLFHNBDXCEQG-TYNCELHUSA-N 378.469 2.906 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)COc2ccc(Br)cc2)C1 5505931 YDNYCIRMIJBHHF-CHWSQXEVSA-N 384.270 2.876 0 40 GFAB Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2ccsc2)c(=O)n(-c2ccccc2)n1C 5657585 DUFHOBZZRKOWSV-CQSZACIVSA-N 399.472 2.659 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 6144067 NRNIDFNSGPCKRY-UHFFFAOYSA-N 390.490 2.544 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(C)ccc1C 6203772 XNDHUEPSGRUIQZ-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc(OC)c1OC 6975884 IESAKZQNQZAXPQ-UHFFFAOYSA-N 398.459 2.877 0 40 GFAB COc1ccc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 7072314 QLGXZVJZUIMWJA-OAHLLOKOSA-N 383.535 2.746 0 40 GFAB O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccc2c(c1)OCO2 7735130 OAAJDUQGVAWOCL-HXUWFJFHSA-N 397.408 2.770 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCCCCC1 8181437 OXLOQNXYPYLSSU-UHFFFAOYSA-N 389.315 2.520 0 40 GFAB Cc1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)no1 8191531 XANPCQSWERVILE-UHFFFAOYSA-N 392.481 2.598 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccco2)CC1 9502525 CIUIXYFZMUAHBL-KRWDZBQOSA-N 385.464 2.678 0 40 GFAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CC)c1 10652151 CMTLPTAFUVUJBB-UHFFFAOYSA-N 386.477 2.997 0 40 GFAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 11364125 SQUPRQUQNJYXKB-CYBMUJFWSA-N 389.452 2.799 0 40 GFAB COc1cc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)ccc1O 11694866 CGEDRCKHRONNKJ-OCBCSQNSSA-N 379.420 2.651 0 40 GFAB CC(C)[C@H]1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1 12188582 LWWGBHMHMNVKCK-QHCPKHFHSA-N 397.519 2.939 0 40 GFAB COC(=O)COc1c(Br)cc(/C=C/C(=O)O)cc1Br 12394664 XPQKGLMVKYJGIJ-NSCUHMNNSA-N 394.015 2.861 0 40 GFAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12508468 VXXNMQOWRTXJNR-NSHDSACASA-N 395.510 2.523 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2C1=O 12986870 VGBBLTBCUIQVIS-UHFFFAOYSA-N 394.427 2.784 0 40 GFAB COc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 13009119 GZLVKMPELYRJGO-SFHVURJKSA-N 399.491 2.752 0 40 GFAB O=C(CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21)NC1CCCC1 13266442 NMBFHVMCRWKMMT-UHFFFAOYSA-N 384.457 2.763 0 40 GFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@@H](O)COCc1ccccc1F)C2=O 13988401 MUNTWGZPNIUVTQ-NVAPDCRFSA-N 392.471 2.840 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(F)c(Cl)c1 14079563 HOOOOALSAJNGEX-UHFFFAOYSA-N 375.787 2.753 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1Cl 15936066 LOSGRMSGJIFCAJ-UHFFFAOYSA-N 393.896 2.627 0 40 GFAB C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 19497120 WTRUZKVVUMXTPP-LSDHHAIUSA-N 395.507 2.597 0 40 GFAB CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(OC)cc1 19500482 FQHKJRCWNPPAQA-XXHMAFKTSA-N 387.480 2.763 0 40 GFAB CNc1cc(CN(C)Cc2ccc(N3CCCC3=O)cc2)nc([C@@H]2CCCN2)n1 19760675 NPQYPRMCDZKCJD-IBGZPJMESA-N 394.523 2.702 0 40 GFAB CCn1cc(CN2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 19762895 ZWJUNKSFUDOUEE-OAQYLSRUSA-N 393.491 2.727 0 40 GFAB CSc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20245222 OFTNOFGEVRKAJU-UHFFFAOYSA-N 397.497 2.799 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C(=O)c3cccs3)CC2)c1 22239254 VKKADMVFGRMIQI-UHFFFAOYSA-N 392.546 2.597 0 40 GFAB C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1C 26748217 BUMDPNBFATUOAP-GYSYKLTISA-N 381.466 2.786 0 40 GFAB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664405 VCHULGRMZLQLLR-DAYGRLMNSA-N 394.349 2.805 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1 28283983 OZTSQXINHYAZJV-KBPBESRZSA-N 382.507 2.588 0 40 GFAB CN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 30804672 RBBHZGRXBGWHJK-UYAOXDASSA-N 397.500 2.640 0 40 GFAB CCn1c(SCC(=O)Nc2ccnn2C(C)C)nc2ccsc2c1=O 31851837 POKYXFURAFHFTO-UHFFFAOYSA-N 377.495 2.986 0 40 GFAB COc1cc(N2C[C@H](C(=O)OC3CCCCC3)CC2=O)cc(OC)c1OC 32796384 YDPDQHINRAIFJJ-CYBMUJFWSA-N 377.437 2.941 0 40 GFAB Cn1ccnc1[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 32802324 TXNRNHWFNGVEJF-LJQANCHMSA-N 396.422 2.919 0 40 GFAB C[C@@H]1CN(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C[C@@H](C)O1 32895706 BIZGDUHSXVFRKW-XNJGSVPQSA-N 384.498 2.920 0 40 GFAB O=C(CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)NC1CC1 32902647 FRTCRHIGNKEAIO-UHFFFAOYSA-N 386.761 2.553 0 40 GFAB O=C1CN(c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)CCN1 40088381 ZTMSPPHELRHWHN-UHFFFAOYSA-N 392.228 2.777 0 40 GFAB CCOC(=O)[C@@H](CC(C)C)N[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104819 NRRVVWXWMFPPSD-IAGOWNOFSA-N 391.512 2.597 0 40 GFAB O=C(CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)NCc1cccs1 47262112 QGZSPNHGMFYACH-ZDUSSCGKSA-N 392.912 2.763 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc(F)c(N2CCCC2=O)c1 48233503 JBTLYVIQXOXORI-CQSZACIVSA-N 385.395 2.914 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 48332586 BOGVQDSQNRPPFX-LJQANCHMSA-N 388.489 2.589 0 40 GFAB Cc1ccn2cc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)nc2c1 58181222 XPBWPEKFRBKOOC-UHFFFAOYSA-N 377.448 2.597 0 40 GFAB CCOC(Cn1cc(C(=O)Nc2nc3ccc(C)cc3s2)nn1)OCC 58267410 RJFOEACYAOMUKS-UHFFFAOYSA-N 375.454 2.848 0 40 GFAB O=C(Nc1nc(-c2ccco2)cs1)[C@H]1COCC(=O)N1Cc1ccccc1 70641293 WAQODGKSHBIDFK-OAHLLOKOSA-N 383.429 2.769 0 40 GFAB O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)COCc2cccs2)CC1 70869208 AIVDIAZYNRSEGW-INIZCTEOSA-N 387.505 2.606 0 40 GFAB O=c1ccc(-c2cccs2)nn1CN1CCN(CCOc2ccccc2)CC1 79476943 GNSMSQSUGOGRHF-UHFFFAOYSA-N 396.516 2.626 0 40 GFAB C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 89895262 JVBQWQIDXLGCHL-XJKSGUPXSA-N 394.518 2.924 0 40 GFAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nc(-c2ccccn2)cs1 95478913 XJXAOOKMSBPURM-CQSZACIVSA-N 393.428 2.934 0 40 GFAB CC(C)[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)N1Cc2ccccc2C1=O 95482725 GMQJVAAKIBXPFG-HXUWFJFHSA-N 389.459 2.946 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C 95998563 TWEKWLJXFHFFNF-LJQANCHMSA-N 397.454 2.884 0 40 GFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccco1)CC2 96037011 QKOCQPAPUIFMCR-UHFFFAOYSA-N 380.496 2.703 0 40 GFAB O=C(C[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)N1CCOCC1 96052821 LZNKUNZHSUMJGG-GOSISDBHSA-N 392.503 2.751 0 40 GFAB Cc1cccc(C(=O)N2C[C@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)c1 96241027 XLUWADPFIVAJDZ-LJQANCHMSA-N 379.460 2.898 0 40 GFAB CN(C)c1nc(-c2cccc(F)c2)nc2c1CN(C(=O)C1CCOCC1)CC2 96254102 NQKFKXRXRMOWDN-UHFFFAOYSA-N 384.455 2.660 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cc1 97113304 DQLGUEYHVXZXAH-QOKNQOGYSA-N 394.537 2.695 0 40 GFAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccc(Cl)cc12 100030054 AOJRYAFQDHDAKV-KEYYUXOJSA-N 384.885 2.506 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)CC1 102241961 AYJSLPPVGXUQSI-INIZCTEOSA-N 378.856 2.555 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 216341045 GNYNEZYOXZQOJX-OAHLLOKOSA-N 386.448 2.868 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)NCc2cccc(C)c2)ccc1OC 222921216 JSEOBZNBUXBBQG-UHFFFAOYSA-N 376.478 2.622 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)c(C)cc21 223356322 KIHUZHOQDAELPY-UHFFFAOYSA-N 392.433 2.741 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c(C(C)=O)cc1OC 223372403 RYRPYEIELDVTTG-UHFFFAOYSA-N 397.380 2.545 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225207035 GLGGVJGEJYGGPW-MRXNPFEDSA-N 384.476 2.800 0 40 GFAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(N2CCCC2)c(F)c1 247757630 FGISRWSHWNERPX-AFHBHXEDSA-N 399.466 2.786 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247885927 WZPSSSSYOUVVBX-OAHLLOKOSA-N 378.494 2.695 0 40 GFAB Cc1ccc(-n2cnnc2CNC(=O)c2cccnc2O[C@H]2CCSC2)cc1 252484182 FQPBHRAAVYLJCQ-INIZCTEOSA-N 395.488 2.785 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCC2CCN(C3CCSCC3)CC2)cc1 252507351 WJCKVABUVPSCSS-UHFFFAOYSA-N 396.578 2.775 0 40 GFAB CC(C)(C)OC(=O)NCCNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 253471313 BUFFAJGDCVOZOY-UHFFFAOYSA-N 399.875 2.547 0 40 GFAB COCCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 257204735 AWCHWRGQBDLTTP-ICSRJNTNSA-N 388.508 2.722 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)cn1 257293940 QRTZYLHZVYPBPV-NRFANRHFSA-N 385.439 2.706 0 40 GFAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 260796209 ZDEBPZOMHJZDMB-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB CC1=C[C@@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@H]4[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 299817691 ONMDPPVVEFWDOD-KXAQVLAYSA-N 388.504 2.614 0 40 GFAB biogenic,in-vitro O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]21 306129121 HVCBCEUSPKROKP-HKUYNNGSSA-N 391.450 2.576 0 40 GFAB CCOc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O)OCO2 409098210 ORZZOYHESUXVRH-UUASQNMZSA-N 393.417 2.802 0 40 GFAB O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)N1CC[C@H](Oc2ccncc2)C1 510401623 IRQOTUNSJGZJHO-HQRMLTQVSA-N 397.450 2.653 0 40 GFAB CO[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 528412567 DTVNTLXRXHLASF-QYZOEREBSA-N 379.453 2.745 0 40 GFAB Cc1cc(CN2CCN(Cc3ccnc(C)c3)[C@@H](c3cnn(C)c3)C2)ccn1 621277413 JEQIJKARAKZKSV-JOCHJYFZSA-N 376.508 2.886 0 40 GFAB O=C(NCC1CCN(c2ncccn2)CC1)c1cccn1Cc1ccccc1 1199780274 YTNUSAYOOYBREK-UHFFFAOYSA-N 375.476 2.973 0 40 GFAB O=S(=O)(NC[C@]1(O)CCCc2occc21)c1ccc(Br)s1 1565522502 JJHXKWHXQHZDLF-CYBMUJFWSA-N 392.296 2.606 0 40 GFAB CN(CC1CCN(c2ncnc3ncn(C)c23)CC1)c1ncnc(C2CC2)c1F 1888906400 IPBYTWKVUMLTMH-UHFFFAOYSA-N 396.474 2.523 0 40 GFAB Cc1nc(N2C[C@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)c2ccncc2n1 1888910674 MWHRWYYQXCMAQK-VLIAUNLRSA-N 380.427 2.948 0 40 GFAB Cc1cc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n2nccc2n1 1888921715 AYVJZUFXTWCKJA-UHFFFAOYSA-N 390.495 2.705 0 40 GFAB Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCc3ccccc3)cc2c1 933921 WQRVUUHIUBQWBR-UHFFFAOYSA-N 381.501 2.706 0 40 GFAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(C)=O)scc12 1034027 HHOMYDKAOPDTGM-UHFFFAOYSA-N 387.417 2.591 0 40 GFAB CCC1=C(C(=O)OC)[C@H](c2ccc(OC(F)F)c(OC)c2)n2ncnc2N1 1460570 ZLBGAXBUUUWUGF-AWEZNQCLSA-N 380.351 2.740 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2150602 YSRBTLZFGKPIHV-GDKCJGSASA-N 375.421 2.793 0 40 GFAB biogenic COc1ccc(C(=S)N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)cc1 2700727 MYXRMOCPIIWREY-UHFFFAOYSA-N 381.712 2.885 0 40 GFAB COc1ccc(OC)c(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)c1 2720454 CGJWGCFYVHIYAW-UHFFFAOYSA-N 376.394 2.781 0 40 GFAB COc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2Cl)cc1OC 3449872 KAXWVMLWSBWBKZ-UHFFFAOYSA-N 381.787 2.970 0 40 GFAB COc1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)c(OC)c1 4326162 VLVUYIRCGMCTGK-UHFFFAOYSA-N 398.390 2.886 0 40 GFAB COCCn1ccc2c(OCC(=O)Nc3ccccc3OC)cccc2c1=O 4584290 IEFYFKYLOWAEER-UHFFFAOYSA-N 382.416 2.674 0 40 GFAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OC)c(OC)c1 4944572 XXONKIHYCIWXQS-GFCCVEGCSA-N 389.477 2.774 0 40 GFAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1nc2ccccc2s1 4966173 GSFXKUMVJABCEL-UHFFFAOYSA-N 397.485 2.980 0 40 GFAB COc1ccc(C2=NO[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)cc1 5029041 GDFLYQWHARHLBC-GOSISDBHSA-N 386.404 2.853 0 40 GFAB CC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 5099512 VLZLHQZPPNZASA-UHFFFAOYSA-N 388.445 2.558 0 40 GFAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 5123471 KRUMCVNCTNAZTN-QGZVFWFLSA-N 397.475 2.659 0 40 GFAB COc1cc(NS(=O)(=O)c2cc(C)ccc2OC)ccc1N1CCCC1=O 5329359 CLAPMQLFCYUNRY-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB COc1ccc(-c2nnc(SCCOc3ccccc3F)n2N)cc1OC 6510411 ITDZXRWRTZRPSW-UHFFFAOYSA-N 390.440 2.986 0 40 GFAB COc1ccc(C(=O)OCc2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 6536828 BVFVJCBTVBHZLQ-UHFFFAOYSA-N 379.409 2.632 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)cc1 6747758 IMHVFUOMPZFEJR-UHFFFAOYSA-N 377.400 2.970 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 7279943 ZGRBZIFNGJOPIU-UHFFFAOYSA-N 392.459 2.597 0 40 GFAB COc1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1F 7495374 INCCESZBNZQCEH-UHFFFAOYSA-N 378.469 2.962 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 7904300 MCFWPNHAIIKYRG-BBWFWOEESA-N 375.513 2.849 0 40 GFAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 7988422 FAKITVKFTMFCKC-AWEZNQCLSA-N 398.488 2.824 0 40 GFAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 10969051 FVNHGUOLRVDFPI-AWEZNQCLSA-N 386.473 2.708 0 40 GFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 11615516 GKFLPXBSOOTEBO-UHFFFAOYSA-N 399.516 2.520 0 40 GFAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(NC(C)=O)ccc3OC)CC2=O)c1 12391043 AQMCBSMTOLOQAY-AWEZNQCLSA-N 397.431 2.654 0 40 GFAB O=S(=O)(c1cccs1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 12443577 SWACKSVFRDJHRT-UHFFFAOYSA-N 392.531 2.778 0 40 GFAB Cn1c(SCc2cc(-c3ccco3)on2)nc2cc(S(N)(=O)=O)ccc21 12581008 WFHCMYPYMAHLDM-UHFFFAOYSA-N 390.446 2.761 0 40 GFAB COc1ccc(C)cc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O 13668187 JAURMCSOFLJQNE-UHFFFAOYSA-N 388.489 2.749 0 40 GFAB COc1cc(CNCCCN(C)C)ccc1Oc1nnnn1-c1ccccc1 13736234 LRYCNVGKYDCXMW-UHFFFAOYSA-N 382.468 2.505 0 40 GFAB CCn1cnc2cc(NC(=O)c3ccc(OC)c(OC)c3OC)ccc2c1=O 15082858 NKTOHTKWBSWMSW-UHFFFAOYSA-N 383.404 2.695 0 40 GFAB CCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C)sc2n1 15771448 NLZXBTZCOWWUNF-UHFFFAOYSA-N 386.433 2.555 0 40 GFAB CN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843082 WWLONMREIAALNL-UHFFFAOYSA-N 386.473 2.661 0 40 GFAB CC(C)c1cc(C(=O)NCCn2nc([C@H]3CCNC3)c3nccnc32)cs1 19452224 TUWKBCLWCGPKQH-ZDUSSCGKSA-N 384.509 2.518 0 40 GFAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)CC(C)(C)C)n2)CC1=O 19700937 SIGSKTRILRWNCW-OAHLLOKOSA-N 389.544 2.662 0 40 GFAB Cc1cccc(C)c1OCC(=O)N1CCc2nnc([C@H]3CCCCN3C)n2CC1 19706440 UTWHTMNJPAFSNW-GOSISDBHSA-N 397.523 2.515 0 40 GFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl 20716348 ICMAVXYBKRPWHW-VFZGTOFNSA-N 397.262 2.935 0 40 GFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc21 21756824 BMZHTCRXQKVRFA-UHFFFAOYSA-N 396.415 2.691 0 40 GFAB O=C(Cc1ccccc1)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22226906 NUDCPLCSHXLZHG-UHFFFAOYSA-N 386.517 2.763 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(C)CC1 22457562 KFHQFKCHEVQRDA-KDOFPFPSSA-N 397.541 2.543 0 40 GFAB COc1cc(OC)c(CNC[C@@H](c2cccs2)N2CCOCC2)c(OC)c1 22807526 IWZMISXVVQZLFI-KRWDZBQOSA-N 392.521 2.937 0 40 GFAB O=[S@@]1c2ccc(Cl)cc2C[C@H](N2CCN(CCO)CC2)c2ccccc21 22861409 HXFVEGJUJYYZBI-QYBDOPJKSA-N 390.936 2.714 0 40 GFAB COc1cccc(OC[C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 26780935 AXAVXFQHYBOCFW-GOSISDBHSA-N 376.884 2.911 0 40 GFAB O=C(NC1CCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 28050465 MMCBZSYGCGGESH-LFIBNONCSA-N 377.510 2.647 0 40 GFAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1OC 32810969 WNSQFGOHIAOQSY-NWDGAFQWSA-N 385.420 2.862 0 40 GFAB C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)N[C@@H]1CCCC[C@H]1C 32910811 UKPQPLKFCIELAZ-BFYDXBDKSA-N 385.464 2.796 0 40 GFAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(C)cc2C)C1 32913107 PYVOIUNOFYFLTE-GOSISDBHSA-N 375.513 2.972 0 40 GFAB COc1ccc(N2C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)cc1 33435917 VHDWCHJWNSAJTG-INIZCTEOSA-N 384.457 2.771 0 40 GFAB COc1cccc(CNC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 35423968 YKMNKACSAKHBAZ-UHFFFAOYSA-N 390.443 2.901 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1ccc(F)c(Cl)c1 38488431 FHSOUOOPAYWDFX-ZDUSSCGKSA-N 399.875 2.833 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(-n2cccn2)nc1 40042872 KDTUNFYJWXFYDS-IBGZPJMESA-N 392.463 2.730 0 40 GFAB NC(=O)c1cc(-c2csc(NC(=O)c3cnn(Cc4ccccc4)c3)n2)c[nH]1 40050149 OZHYWZCKUNCRBN-UHFFFAOYSA-N 392.444 2.734 0 40 GFAB CCc1ccc([C@@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)N(C)C)cc1 40063379 SQZQWUALCUEUKL-VQTJNVASSA-N 381.524 2.675 0 40 GFAB COCCOc1ccc(S(=O)(=O)NCCCN(C)c2ccccc2)cc1C 40087743 CETMNDVIYNPQAO-UHFFFAOYSA-N 392.521 2.825 0 40 GFAB CCc1nnc(N[C@@]2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)s1 40286081 VDYJBSXOVHAUGI-OAHLLOKOSA-N 399.398 2.566 0 40 GFAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 40288426 MGRPZPZVNJHNTE-GOSISDBHSA-N 395.394 2.910 0 40 GFAB O=C(NCCc1nnc2n1CCCCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 45385388 YSNJZCQEZVFRKG-KRWDZBQOSA-N 393.495 2.970 0 40 GFAB O=S(=O)(c1ccc(CSc2ncn(-c3ccccc3)n2)o1)N1CCCC1 46849866 SNKDMWLFWOZEQT-UHFFFAOYSA-N 390.490 2.937 0 40 GFAB Cc1ccc(NC(=O)Cn2c(C)cc3nc4sc(C)nn4c(=O)c32)c(F)c1 51357396 RDJVWERLKPJIKO-UHFFFAOYSA-N 385.424 2.809 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1nc(C)c(C)s1 54583003 ZCXDKPLVSMUJPB-UHFFFAOYSA-N 376.482 2.668 0 40 GFAB Cc1ccccc1OCCNC(=O)Nc1cccc(Cn2cccnc2=O)c1 56632254 ZTAPRXPTQGZBJC-UHFFFAOYSA-N 378.432 2.801 0 40 GFAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)n1 57316396 TZJMAZFPUODFMN-UHFFFAOYSA-N 376.486 2.635 0 40 GFAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCC(=O)N1CCCC1 57621722 PUDQGXCVMLZBLQ-HXUWFJFHSA-N 393.487 2.677 0 40 GFAB Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCc3ccc(F)cc32)CC1 58982004 FZCPZBJSKNANDM-UHFFFAOYSA-N 395.478 2.918 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](O)c1cccc2ccccc12 70636220 CKFHOSFGPCHNHX-LJQANCHMSA-N 382.847 2.959 0 40 GFAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)CSc1ncnc2ccccc12 72324333 BIJOECYLQFDDRT-ZDUSSCGKSA-N 394.456 2.835 0 40 GFAB NS(=O)(=O)c1ccc(CNc2ncc(-c3ccncc3)c(C3CC3)n2)cc1 72340327 GDFYISKVYDVGFG-UHFFFAOYSA-N 381.461 2.676 0 40 GFAB Cn1nc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2c1=O 72405919 ZQLLTNHVEAHCTN-UHFFFAOYSA-N 397.862 2.711 0 40 GFAB COc1ccccc1Cc1noc(C2CN(C(=O)c3cc(C4CC4)on3)C2)n1 77191356 MFSBJSCXOFMAKC-UHFFFAOYSA-N 380.404 2.774 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NC1CCCC1 80337184 QHHMEMPTGRVOGF-CQSZACIVSA-N 378.904 2.619 0 40 GFAB CCn1c(SC[C@H]2CN=C(N3CCOCC3)S2)nnc1-c1cccs1 83836961 BJLDDZDCJGHXIG-GFCCVEGCSA-N 395.579 2.922 0 40 GFAB CCOC(=O)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)Cc1ccccc1 84791191 PQAFMMACACHSGG-KRWDZBQOSA-N 379.453 2.667 0 40 GFAB CN1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1c1ccccc1 89375146 LUHOKNHAIFXEGW-SJORKVTESA-N 394.443 2.858 0 40 GFAB O=C(Nc1cccc(Br)c1)[C@@H]1COCC(=O)N1Cc1cccs1 90608483 CEGYRXKGFQMHRR-AWEZNQCLSA-N 395.278 2.877 0 40 GFAB Cn1nccc1C1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 92810532 LHTWFGKWZHIGBI-UHFFFAOYSA-N 382.508 2.801 0 40 GFAB Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)nn1 96119462 RPAOHIQCFDGXKN-UHFFFAOYSA-N 381.885 2.979 0 40 GFAB Cc1ccsc1C(=O)N1CCC2(CC1)C[C@H](NC(=O)c1ccccn1)CO2 96221151 DUPMYMSOJOZEES-HNNXBMFYSA-N 385.489 2.645 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96221717 LEYYJVMANDBCND-QGZVFWFLSA-N 392.452 2.612 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2cccc(F)c2)cc1 96388595 FEMPFGBBOHYPDD-INIZCTEOSA-N 382.413 2.670 0 40 GFAB CC[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc2c(c1)OCCCO2 98086371 NSJDHHLSRXMBLB-INIZCTEOSA-N 396.443 2.841 0 40 GFAB Cc1cc(O)n2nc(C3CCN(C(=O)CCc4c(C)noc4C)CC3)cc2n1 100137478 VHUSIFZFUQBFGC-UHFFFAOYSA-N 383.452 2.687 0 40 GFAB Cc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(F)cc1Cl 102015160 JROCTOCCUYECGG-NXNVCVFFSA-N 389.814 2.699 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccc(C)cc1)S(C)(=O)=O 220331881 WJLNXRDSHIAQOC-INIZCTEOSA-N 390.505 2.783 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222427269 RZAZFIAMRKPSLH-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(C)C 223367934 DJQFXNRFSKQXMO-HZPDHXFCSA-N 396.553 2.976 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223682610 NVCNUJLTDHYEPN-UHFFFAOYSA-N 390.874 2.595 0 40 GFAB CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)C(C)C 225636892 MUAQFNUFKZHWDG-UHFFFAOYSA-N 379.507 2.877 0 40 GFAB COC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242538777 JHEDPLCZGSRVMN-XUVXKRRUSA-N 375.490 2.535 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242688269 VMLXYKQNDWKYQR-NSHGMRRFSA-N 390.457 2.661 0 40 GFAB O=C(/C=C/c1ccccc1Cl)NCc1nnc2ccc(N3CCCC3)nn12 244983791 IRAIVOINHIYEND-UHFFFAOYSA-N 382.855 2.708 0 40 GFAB CC(=O)N[C@H](CC(=O)N1CCN(C)C[C@H]1c1ccccc1)c1ccc(F)cc1 248092500 CNFHZOOCOZCMJO-RTWAWAEBSA-N 383.467 2.908 0 40 GFAB C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)C[C@@H](C)O1 253603978 PEKCVDRHCOETBZ-MWIFHUNCSA-N 384.476 2.577 0 40 GFAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC[C@H]2CCCO2)ccc1O 257173425 MSEHOLJDLBYRGX-UXHICEINSA-N 396.487 2.623 0 40 GFAB Cc1ccc(N(C)[C@H]2COC3(CCN(C(=O)c4cnc(C)cn4)CC3)C2)cc1 257236022 HANJLIPNJPLJBU-LJQANCHMSA-N 380.492 2.994 0 40 GFAB CCn1cc(CN2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306129136 HVNLOMVIKGVFGF-FPOVZHCZSA-N 394.500 2.720 0 40 GFAB CCCCS(=O)(=O)N1CCC2(CC1)CN(CC1CC1)Cc1cccnc12 306137840 RHUKTCUVDYGOKN-UHFFFAOYSA-N 377.554 2.771 0 40 GFAB CC[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccccc1OCC(=O)N(C)C 559146735 CGMHKBZISBZJEE-QUCCMNQESA-N 388.483 2.937 0 40 GFAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cc(Br)cs1 575606907 GYWQQWUEWKSXBE-UHFFFAOYSA-N 380.267 2.962 0 40 GFAB CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)c3ccnc(F)c3)CC2)c2ccccc21 585109790 UOIYWBJJRNEQTA-GOSISDBHSA-N 383.423 2.512 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148926 LASNVZRAHPYXSV-CQSZACIVSA-N 393.486 2.648 0 40 GFAB O=C1CCC[C@]2(CN(C(=O)COc3ccccc3)C[C@H]2c2ccc(F)cc2)N1 585261744 FZGHBTQOIUFOIA-SIKLNZKXSA-N 382.435 2.869 0 40 GFAB CC(C)(C)OC(=O)c1cccc(CNC(=O)N2CCC(O)(C(F)F)CC2)c1 614719445 GRRIGZDQEINZIV-UHFFFAOYSA-N 384.423 2.944 0 40 GFAB Cc1nn(CC(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)c(=O)n1C 653887685 VYQAQGLWEXCUEK-UHFFFAOYSA-N 397.382 2.671 0 40 GFAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](Cc1ccccc1)c1ncco1)CC2 654452413 OTMDUHDRNXVBBI-DLBZAZTESA-N 394.479 2.988 0 40 GFAB CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](O)C(F)(F)C2)N(C)C)cc1 664906956 QNYYNFWZNOHGLG-ROUUACIJSA-N 383.483 2.899 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@@H]3C[C@]32C(=O)NC2CCC2)c(C)cc1Cl 2056225431 WDBFKOCYEGPFDG-FZKQIMNGSA-N 382.913 2.779 0 40 GFAB COc1ccc(CN2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1F 23731692 RGZQCGWIJICHJG-UHFFFAOYSA-N 387.455 2.940 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1nc(-c2nc[nH]n2)no1 78899242 UXLVVWGNSVEFAT-SECBINFHSA-N 384.425 2.818 0 40 GFAB CN1CC(=O)N(CC(=O)Nc2cc(Cl)ccc2NCc2ccccc2)C1=O 79096630 HKRUPYDVOIZBNJ-UHFFFAOYSA-N 386.839 2.785 0 40 GFAB COc1ccc(C(=O)NCCNC(=O)Nc2ccc(-c3ccccc3)nn2)cc1 79100894 ZPGJRJDCUWXHDM-UHFFFAOYSA-N 391.431 2.704 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2ccccn2)c1 7699831 HDNZCLVXGVYLCG-UHFFFAOYSA-N 379.507 2.843 0 40 GFAB COC(=O)c1sccc1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 44347933 BTOBIBNKSXRHTJ-UHFFFAOYSA-N 389.408 2.791 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)s1 58245808 LNPZXBWVISIKOG-UHFFFAOYSA-N 378.928 2.620 0 40 GFAB C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc(F)cc1Cl 9839236 LDDWLMOFSHZWPR-JTQLQIEISA-N 389.774 2.639 0 40 GFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 113966892 YQJPARTZGVQZOT-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(=O)(=O)N(C)C 12585492 DSSSPRBPXNFNKV-UHFFFAOYSA-N 399.472 2.989 0 40 GFAB CCCc1nnc(S)n1CC(=O)NCc1ccc(F)cc1C(F)(F)F 36391445 PUUGGBSHSVXAMQ-UHFFFAOYSA-N 376.379 2.994 0 40 GFAB CC(C)c1nc(CONC(=N)[C@H]2COCCN2C(=O)OC(C)(C)C)cs1 95449569 IVWBTMUXCPMNNX-CYBMUJFWSA-N 384.502 2.901 0 40 GFAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN(CC)CC 2404557 LJWRVFHRFRFEPV-UHFFFAOYSA-N 377.441 2.642 0 40 GFAB C[C@@H](CO)CCCNC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 95444080 YDPSDAGMEKBWRK-MRXNPFEDSA-N 396.553 2.778 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccc(C)cc2C)c2ccccc2O1 11438065 JCYQUQNGFGCDRL-FQEVSTJZSA-N 382.460 2.702 0 40 GFAB COc1ccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 22526663 YYMOVBZJOGRUJE-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)C[C@H](C)O1 100180435 PEKCVDRHCOETBZ-ZMJYDUMDSA-N 384.476 2.577 0 40 GFAB CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc3c(c2)CCC3)c1 60375727 QQRLYOBMNNMYNL-UHFFFAOYSA-N 380.492 2.788 0 40 GFAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1O 2701379 SGJKDCKJVCKCBV-UHFFFAOYSA-N 384.369 2.610 0 40 GFAB Cc1cc(NS(=O)(=O)CCC(=O)OCc2ccccc2)ccc1C(=O)O 95454530 HCQSHANMODFDEO-UHFFFAOYSA-N 377.418 2.568 0 40 GFAB Cc1cccc(N2CCN(CC(=O)NCCCOCc3ccccc3)CC2)c1 12608197 GVSUROWYMSAIRF-UHFFFAOYSA-N 381.520 2.840 0 40 GFAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 113945522 YLKVBPABAUYWTJ-LJQANCHMSA-N 390.505 2.946 0 40 GFAB COc1cc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)O2)cc(OC)c1OC 3337356 LMUCMCMOFNTVJV-RIYZIHGNSA-N 383.356 2.755 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(CN(C)C)cc1 23962322 UXGCFVBEMWLRLG-HXUWFJFHSA-N 399.560 2.916 0 40 GFAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc2c(c1)OCO2 3439736 HDBZCOJKJFWQAC-KRWDZBQOSA-N 399.399 2.769 0 40 GFAB CN(CC(=O)Nc1nc2ccc(F)cc2s1)S(=O)(=O)c1cccs1 9154065 HHPCHJNFRPVWAZ-UHFFFAOYSA-N 385.467 2.756 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc1OC 4044816 YMDVKYXTZJPBLT-MGPUTAFESA-N 396.399 2.503 0 40 GFAB biogenic COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 5351642 WJPUVEMBGMNJPD-LJQANCHMSA-N 384.388 2.607 0 40 GFAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1 14182323 OAWWNRYYSXKWSI-GFCCVEGCSA-N 382.482 2.584 0 40 GFAB O=S(=O)(c1cccc(-c2n[nH]c(=S)n2C2CCCC2)c1)N1CCOCC1 6414660 XMVYTFGXHSZIBP-UHFFFAOYSA-N 394.522 2.744 0 40 GFAB CCc1ccc([C@H](NC(=O)CCn2cnc3c(cnn3C)c2=O)C(C)C)cc1 14240052 QHCXWOONUSNQCV-LJQANCHMSA-N 381.480 2.596 0 40 GFAB CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C(=O)NC(C)C 5473375 QOIQZYGDBSSSQD-IHRRRGAJSA-N 386.370 2.594 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O)c1ccccc1F 5450994 NKDHQJJDNJKLLH-MRXNPFEDSA-N 378.285 2.930 0 40 GFAB O=C(Nc1cc(=O)[nH]c2nc(CCc3ccccc3)nn12)c1ccc(F)cc1 9360647 VMGZNCSZJNBTES-UHFFFAOYSA-N 377.379 2.594 0 40 GFAB CCN(CC)c1nc2ccccc2n(CC(=O)NCCc2ccc(F)cc2)c1=O 6601975 FMKBKNMCTZGQFS-UHFFFAOYSA-N 396.466 2.741 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccc2)N1Cc1ccncc1 9421970 SZQPVPDNWIBFPY-FPOVZHCZSA-N 380.469 2.931 0 40 GFAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccccc3Cl)nc2c1 71768712 JEXOWFDJOJSLPJ-UHFFFAOYSA-N 375.837 2.843 0 40 GFAB COc1ccccc1CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 7753209 OYISPRNZYPKGMA-UHFFFAOYSA-N 391.353 2.684 0 40 GFAB COC(=O)c1sc(NC(=S)Nc2c(C)nn(C)c2C)c(C(=O)OC)c1C 17081054 RIUKKIIJOHKKCC-UHFFFAOYSA-N 396.494 2.789 0 40 GFAB CC(C)NC(=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 20466648 XWGCKTGTYRUWOU-MFGRNICGSA-N 378.557 2.865 0 40 GFAB biogenic,in-vitro COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 23242868 SGBBRKAISVWHMV-UHFFFAOYSA-N 391.471 2.972 0 40 GFAB Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 306127636 GDYGPPLAUMBINW-KKSFZXQISA-N 398.532 2.658 0 40 GFAB COc1cc(Cl)c(CN[C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)cc1OC 1550424538 JJIXQQMFTVLLJS-LIRRHRJNSA-N 392.887 2.542 0 40 GFAB CN1C(=O)C[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H]1c1cccc(F)c1 72243780 NLJIPEASEHDXIS-HIFRSBDPSA-N 384.333 2.743 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCCCC1 219439759 ZMZGSQSCXQOVNC-UHFFFAOYSA-N 378.494 2.840 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CSCc2ccc(C)cc2)s1 223408152 HNQSKJSKDUTARB-UHFFFAOYSA-N 383.520 2.984 0 40 GFAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1 223587689 QUTYVZCQTFHLPY-WOJBJXKFSA-N 394.500 2.846 0 40 GFAB COCCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cn1 225925072 XNJZYNNCWDOGMZ-UHFFFAOYSA-N 387.436 2.750 0 40 GFAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCc2nc(C(C)(C)C)ncc2C1 530166309 ZCVAYNAVQWOTJX-AWEZNQCLSA-N 396.491 2.535 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1N1CCCC1=O 224377369 SJJXXZVQRIWVBU-HNNXBMFYSA-N 388.489 2.904 0 40 GFAB O=C(Nc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44900232 IKZHKKXRKPMBBK-UHFFFAOYSA-N 394.880 2.754 0 40 GFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223024995 AYYDEMALMWZEIT-VQTJNVASSA-N 393.516 2.945 0 40 GFAB CC[C@@H](C(=O)NCc1ccccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220641891 ADQKRWGWMPMYPT-IBGZPJMESA-N 390.505 2.865 0 40 GFAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccccc1F)S(C)(=O)=O 220590100 BQGLAMWIRSJZRN-AWEZNQCLSA-N 394.424 2.738 0 40 GFAB CCc1nnn(-c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)n1 98086798 ONXXMQWDAOEKJB-UHFFFAOYSA-N 379.449 2.832 0 40 GFAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(c2ccccn2)CC1 253396129 DEFZBHNCSWYPND-AWEZNQCLSA-N 396.422 2.891 0 40 GFAB biogenic,in-vitro COc1ccc(C(=O)NC[C@H]2CC[C@H]([C@@H](NC(C)=O)c3ccccn3)CC2)cn1 257326406 WXCYYCLLMXWUSE-CBGDNZLLSA-N 396.491 2.899 0 40 GFAB Cc1nccc(C(=O)N2CCO[C@H](c3cccc(-c4c(C)noc4C)n3)C2)n1 257243206 IFWJBWZFBYSAOM-SFHVURJKSA-N 379.420 2.666 0 40 GFAB Cc1ccccc1-c1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)[C@H](C)O3)s1 1615591930 PFLKACUJLMRBDL-AWEZNQCLSA-N 385.489 2.894 0 40 GFAB O=C1[C@@H](O)CCCCN1CC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 644405039 GDQJRUFOBGIBNM-VXKWHMMOSA-N 392.499 2.729 0 40 GFAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)c1 575404512 NBXOJOHGCRZJCC-CTNGQTDRSA-N 394.471 2.670 0 40 GFAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(C)c4)CC3)[C@H]2C1 585106336 XFNFIOBTHWIQRB-RLLQIKCJSA-N 383.536 2.836 0 40 GFAB COCCNC(=O)C[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2cccn2C1 585099141 PNRUPKNFSZDZDE-INIZCTEOSA-N 377.435 2.551 0 40 GFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1CCCN1C(=O)c1ccccc1O 52567160 JFEYUICYNRRFHB-KRWDZBQOSA-N 395.415 2.592 0 40 GFAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1 58007770 OVJROBMZMSOYRR-AZUAARDMSA-N 382.460 2.596 0 40 GFAB C[C@@H]1CCn2cc(C(=O)N3CCN(c4cncc5ccccc45)CC3)nc2C1 632708671 FSCCSQBMQADROT-MRXNPFEDSA-N 375.476 2.976 0 40 GFAB Cc1cc(C)c([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1C 11342676 DBLMFRSVOVZVGO-OAHLLOKOSA-N 386.473 2.634 0 40 GFAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CN2CCCC2=O)cc1 12145608 FQOLBHXYVWXPHK-GOSISDBHSA-N 396.491 2.633 0 40 GFAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NC1CCCC1 13063417 ULZQXXAFUTUUBH-UHFFFAOYSA-N 388.489 2.846 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(SC)c1 16188380 UOAYVOOARASCAP-UHFFFAOYSA-N 398.481 2.815 0 40 GFAB O=C([C@@H]1CCCCO1)N1CCC[C@H]1c1n[nH]cc1-c1ccnc(N2CCCC2)n1 19404099 QVIRKIIMJFLJRN-ROUUACIJSA-N 396.495 2.700 0 40 GFAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)c1cc(C3CCCCC3)no1)CC2 19706321 MVHQUUMMJCXAPX-KRWDZBQOSA-N 398.511 2.779 0 40 GFAB Cc1ccnn1CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCO1 19740027 DGZZQHRMWGHYNK-OAQYLSRUSA-N 380.448 2.755 0 40 GFAB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 7495231 VVBXMHXEGFENID-XMHGGMMESA-N 392.459 2.948 0 40 GFAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 101839056 MJRDMMBCSMTVRI-SFHVURJKSA-N 389.471 2.794 0 40 GFAB O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(Cl)s1 225572913 GSZTWBZFFMIRHZ-GFCCVEGCSA-N 380.988 2.897 0 40 GFAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1CCCN(C(=O)c2ccsc2)CC1 634867556 DQXGEBOAFILJTH-LJQANCHMSA-N 380.510 2.950 0 40 GFAB NC(=O)c1ccc(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)cc1 18335832 VTSXNNSQDMDHQE-UHFFFAOYSA-N 382.445 2.608 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(C(=O)NC4CCCC4)CC3)cnc2c1 1889175185 PCJQMPDNQTXPJE-UHFFFAOYSA-N 384.480 2.769 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889205585 MTUXAYDAOSYNCY-XJKSGUPXSA-N 397.422 3.000 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](Oc2cccc(C)n2)C1 238940603 VYKAWLPZQGLAKL-CQSZACIVSA-N 382.869 2.894 0 40 GFAB COc1ccc(CCNC(=O)c2ccc(OC[C@H]3CCCO3)nc2)cc1OC 245187562 ZOKGKFKAYQNVCK-QGZVFWFLSA-N 386.448 2.629 0 40 GFAB Cc1ccc(OCC(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cc1 2037977806 KXWSWALRADDMIC-HSZRJFAPSA-N 394.471 2.798 0 40 GFAB O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 4455770 KVLFEZSMBHKJHH-UHFFFAOYSA-N 387.351 2.833 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc1OC 5257265 YOYGPOMRKSCQLI-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(F)cc1F 8864257 YXMMSKLLTOFRQH-MRXNPFEDSA-N 379.432 2.918 0 40 GFAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4cnc(Cl)cc4Cl)C[C@H]3O2)n[nH]1 2055771692 RBEOZISANSVIEI-OASPWFOLSA-N 382.251 2.807 0 40 GFAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3ccc(-c4ccnn4C)nc3)cc2)C1 575620971 WVVJGJQPFOSVBW-LJQANCHMSA-N 391.475 2.637 0 40 GFAB CCN1C[C@H](CN(C)C(=O)c2cn(-c3ccccc3)nn2)Oc2ccccc21 40073862 ODDCHDUOZVHXSR-KRWDZBQOSA-N 377.448 2.627 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)N3CCOCC3)cc2)c1 40288272 BGXXAAMMSPWKCB-UHFFFAOYSA-N 382.420 2.761 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)C[C@@H](NC(C)=O)c1cccs1)CC2 31239486 KNLGWMAIGUQZTR-MRXNPFEDSA-N 388.489 2.918 0 40 GFAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 31294719 JINRFYKIHXMQCH-SJKOYZFVSA-N 394.805 2.821 0 40 GFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(Cc2cccc3ccccc23)CC1 101079774 FYNNBNJJJSGXFF-VXKWHMMOSA-N 389.499 2.866 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)CC(=O)NCc1ccco1 32716690 BYXNUWQWLJPYEM-UHFFFAOYSA-N 394.475 2.790 0 40 GFAB O=C(NCc1ccccc1CN1CCCC1=O)c1cc2ccccc2oc1=O 32787563 MSJCHPULXJDSFI-UHFFFAOYSA-N 376.412 2.845 0 40 GFAB Cc1cccc(OCCSCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 33047539 UOEMWPFEPQNHMA-UHFFFAOYSA-N 388.489 2.685 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 21915905 XNMIPCMITFLGDR-UHFFFAOYSA-N 399.472 2.756 0 40 GFAB CCN1CCN(c2ccc(NC(=O)/C=C(/C(=O)O)c3ccccc3)cc2)CC1 627044 FYNIOBGTIPIEQG-CAPFRKAQSA-N 379.460 2.935 0 40 GFAB Cc1cc(-c2nnc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c(C)o1 22817307 LUNBWPAVGQNKMH-UHFFFAOYSA-N 396.447 2.993 0 40 GFAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1O[C@H](C)C(=O)N(C)C 24079771 LZERYRXTQAWGAU-YJYMSZOUSA-N 383.448 2.795 0 40 GFAB CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 79108229 IFHGMOVPTPDNLH-HNNXBMFYSA-N 394.518 2.644 0 40 GFAB CC(C)c1nc2cc(NC(=O)CCn3nnc4ccccc4c3=O)ccc2[nH]1 79489832 NIWWOYCJLNMQIW-UHFFFAOYSA-N 376.420 2.820 0 40 GFAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 24992837 VYJYWYSNICXLTC-UHFFFAOYSA-N 388.489 2.742 0 40 GFAB Cn1c(=O)c2ccccc2n2c(CSCc3ccc(C(=O)O)cc3)nnc12 12595376 RYGAOKWIHMCWGP-UHFFFAOYSA-N 380.429 2.713 0 40 GFAB CCc1ccc(-n2c(SCC(=O)NCCOC)nnc2-c2ccncc2)cc1 3426038 RYQBEQOMFLMGCK-UHFFFAOYSA-N 397.504 2.746 0 40 GFAB COc1ccc(-c2noc(COC(=O)c3ccc(-n4cncn4)cc3)n2)cc1 7282079 FAESPQBZJOMOTR-UHFFFAOYSA-N 377.360 2.683 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N1CCOCC1)CC2 35335095 LUDKYSZNSYRYLO-HSZRJFAPSA-N 396.487 2.510 0 40 GFAB Cc1cccc(C)c1-n1nnnc1C[S@](=O)c1ccc2c(c1)OCCCO2 108008916 DXRINJYOZRLJNH-HHHXNRCGSA-N 384.461 2.748 0 40 GFAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 57486048 ZHBWOCIYKDEIAK-UHFFFAOYSA-N 375.425 2.659 0 40 GFAB COCCn1cc(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 57434072 LGFALZKDCDXTPZ-ZDUSSCGKSA-N 378.432 2.948 0 40 GFAB CC(=O)N1C[C@@H](C(=O)Nc2ccc3c(C)cc(=O)oc3c2)Oc2ccccc21 57659942 DBWHBVBEVFLHFF-IBGZPJMESA-N 378.384 2.854 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 57638498 MXCIBRGVQCUQSP-HNNXBMFYSA-N 384.407 2.956 0 40 GFAB COc1ccc(NC(=O)COc2ccc(C(=S)N3CCOCC3)cc2)cc1 8157539 DYCHLENNXJEHPH-UHFFFAOYSA-N 386.473 2.720 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc4nccnc34)C2)cc1 35684063 DJSCGPQIWSBNLE-SFHVURJKSA-N 382.445 2.749 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)cc12 58088323 LHOVUXUCVILQJS-SFHVURJKSA-N 392.463 2.762 0 40 GFAB Cn1nnnc1-c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 10091117 KJIUTSDIOCINDV-UHFFFAOYSA-N 385.811 2.944 0 40 GFAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C2/C(=O)Nc3ccccc32)C1=O 9234234 WCGWTCNZDJCIRT-WUKNDPDISA-N 393.424 2.992 0 40 GFAB COCCN(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 57740919 WSAQLWWVSCJCNY-UHFFFAOYSA-N 380.444 2.624 0 40 GFAB CN(C(=O)c1cccc(Cl)n1)[C@H](C(N)=O)c1cccc(Br)c1 95465411 YMVDBYNMMXQAPQ-ZDUSSCGKSA-N 382.645 2.796 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N(Cc3ccco3)c3ccccn3)ccc2N1 95400384 UKJGSMUVQDWASL-UHFFFAOYSA-N 383.429 2.955 0 40 GFAB OC1(c2ccccn2)[C@@H]2CCC[C@@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 100148919 JDJDYCZHWJXEGX-WOJBJXKFSA-N 393.535 2.982 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CCSC)c1 12794527 PGMVILCRXDDGBD-UHFFFAOYSA-N 396.490 2.893 0 40 GFAB Cc1ccc(C)c(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)N(C)C)c1 20244982 LIGYZLIQHFLTQJ-UHFFFAOYSA-N 387.505 2.506 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 20047056 VQZUZHYAUCUEEB-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB Cc1nn(C[C@@H](O)COc2cccc(Br)c2)c(=O)c2ccccc12 12865589 FTYBELDIOXJWIX-CQSZACIVSA-N 389.249 2.907 0 40 GFAB COCCNC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 3476574 KSJJFCORABFGEJ-UHFFFAOYSA-N 377.824 2.838 0 40 GFAB C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 12916367 UADDYCLHYHCSIU-CYBMUJFWSA-N 390.484 2.883 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 12995405 YMLBUABPEBBJNO-UHFFFAOYSA-N 376.453 2.881 0 40 GFAB CNC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 13072134 JISRHLOLPUTEKN-UHFFFAOYSA-N 382.416 2.809 0 40 GFAB CCOc1ccc(CN(C)CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)cc1 13021936 ZVHRQHWQKQZJGL-UHFFFAOYSA-N 384.436 2.602 0 40 GFAB CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccn3C)cc2)CC1 9220368 CBIZLLQIRZIZMA-QFIPXVFZSA-N 395.551 2.943 0 40 GFAB CCc1ccc(Cn2nccc2NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 39995612 LUBBQEUCINJHQT-JXFKEZNVSA-N 384.505 2.886 0 40 GFAB C[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 9368226 PVCNRBFQNXVZPS-NEWSRXKRSA-N 395.503 2.585 0 40 GFAB COc1ccc(NC(=O)CCCNC(=O)N2CC(=O)Nc3ccccc32)cc1 9302969 PAEKCSFVNNUOGE-UHFFFAOYSA-N 382.420 2.582 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(NC(C)=O)c(Cl)c1 14097652 FTPCQDXYLWQRTK-UHFFFAOYSA-N 398.824 2.806 0 40 GFAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccc(Br)cc2)c2ccccc2O1 14188660 CUKSPOHWYAHLQD-MRXNPFEDSA-N 389.249 2.945 0 40 GFAB CCCCn1nnnc1CN(C)CC(=O)Nc1ccc(Br)cc1C 14248934 QLQUCNGHDBASDO-UHFFFAOYSA-N 395.305 2.615 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(NCc2cnn(-c3ccccc3)c2)nc1 14315017 JBNHWFSLQZQIKI-UHFFFAOYSA-N 385.493 2.910 0 40 GFAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 5865658 JNGNYSKKRCWMSH-GFCCVEGCSA-N 382.869 2.996 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 16142190 NGODWOIASCHKDK-UHFFFAOYSA-N 384.457 2.557 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CCCC1 408606212 ODQLCJQNLXVHHJ-UHFFFAOYSA-N 380.510 2.689 0 40 GFAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)NC1CCC(O)CC1 71901090 ASRXGAXNIMEMOM-UHFFFAOYSA-N 387.402 2.967 0 40 GFAB Cc1nc2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2nc1C 8060823 YQZAMKGPJCFHAE-UHFFFAOYSA-N 384.461 2.749 0 40 GFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=CC=NN2[C@H]3C(=O)c2ccccc2)c(C)c1 17949775 RYVFXXUJONFDDV-IVAOSVALSA-N 399.450 2.900 0 40 GFAB CCCCCNC(=O)CSc1nnc2n(CCC)c(=O)c3ccccc3n12 8745088 CXCHLFCHNNDLCS-UHFFFAOYSA-N 387.509 2.853 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1cnn(C)c1 95999262 YETOEGTYHMPKAQ-IBGZPJMESA-N 394.479 2.887 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1OC(F)F 25049699 KBUZAOGKRGEIGW-UHFFFAOYSA-N 376.315 2.531 0 40 GFAB Cc1cc(NC(=O)c2nc(C)sc2CC(C)C)n([C@H]2CCS(=O)(=O)C2)n1 72404139 JBZKJHSDDHYXHX-ZDUSSCGKSA-N 396.538 2.767 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1cccc(OC)c1 20107007 KYPVBDWRAWJVKI-LBPRGKRZSA-N 389.404 2.905 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1C 408600623 BHMWGXXUDRMOIZ-UHFFFAOYSA-N 376.478 2.789 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCOc3ccccc3)CC2)c1C 22201080 ZPYIAGKFIMMYPE-UHFFFAOYSA-N 399.491 2.645 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1C 408626740 WICZRUDPZSNTLO-UHFFFAOYSA-N 376.478 2.622 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)CCOc1ccc(F)cc1 70637797 HLAAAIIWTFFLLZ-UHFFFAOYSA-N 382.413 2.613 0 40 GFAB CN1CC2(CCN(Cc3ccccn3)CC2)c2nc(C(C)(C)C)ncc2C1=O 306143436 YCEWLAJOBJCAEW-UHFFFAOYSA-N 379.508 2.789 0 40 GFAB Cc1cccc(CN2CC(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 36080506 XTDWPSPJPLOCKP-LEWJYISDSA-N 398.528 2.626 0 40 GFAB NC(=O)COc1ccc(CNc2cccc(C(=O)O)c2)cc1Br 408609178 MAFHOMQQOKSLMZ-UHFFFAOYSA-N 379.210 2.624 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 409127319 CIRVLQCGTHRSQH-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCO[C@H](c2ccccc2)C1 79489558 VPMLGPODWSOLNT-FQEVSTJZSA-N 384.476 2.905 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)cc1 35982376 XSSZHBNMOCMNLT-ROUUACIJSA-N 385.533 2.824 0 40 GFAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362673 DJNXYOPNZNRHMY-MRXNPFEDSA-N 380.448 2.597 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)COc3ccc(N4CCCC4=O)cc3)cc2NC1=O 26455529 JQXNHRIBIVXXRV-CYBMUJFWSA-N 395.415 2.550 0 40 GFAB Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3)C3=C2C(=O)OC3)cc1 49402827 VSSBEJJVENMGPI-FQEVSTJZSA-N 391.427 2.819 0 40 GFAB Cc1cc(-n2nnc(C(=O)N3CCSCC3)c2C)ccc1Br 71010688 VNECJJAGNHYDPQ-UHFFFAOYSA-N 381.299 2.836 0 40 GFAB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 222248919 PPIVCBCOLCHEFG-KOZAUXTDSA-N 387.741 2.554 0 40 GFAB COc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc(C)o2)n1 225914351 OVFDTZXDQUTEGP-UHFFFAOYSA-N 388.478 2.814 0 40 GFAB O=C(O)CN(c1ccccc1Br)S(=O)(=O)c1cccs1 225127303 LTEBHMYDADQHQT-UHFFFAOYSA-N 376.253 2.791 0 40 GFAB Cc1noc(-c2cccn3c(CNC(=O)c4nccc5ccccc45)nnc23)n1 225749505 RJRIRFIEUJRGAT-UHFFFAOYSA-N 385.387 2.566 0 40 GFAB COC(=O)CSc1nnc(NC(=O)CSCc2cccc(C)c2)s1 224483332 OGWGPZXJUWFFEB-UHFFFAOYSA-N 383.520 2.984 0 40 GFAB COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225928548 DRAKGXBNUCSROO-UHFFFAOYSA-N 376.478 2.596 0 40 GFAB CSCC[C@H]1NC(=S)N(Cc2cc(F)ccc2Br)C1=O 49241086 LRNGVLFZXNEQNE-LLVKDONJSA-N 377.304 2.927 0 40 GFAB Cc1ccc2nc(C[C@H]3CN(S(=O)(=O)C(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 514289606 WNRZZCICWXKXES-GJZGRUSLSA-N 393.509 2.565 0 40 GFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(F)c(F)c1 223551580 IGJPMFJPCKQIQP-UHFFFAOYSA-N 398.431 2.795 0 40 GFAB CCn1cn[nH]c1=NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 585082086 AVQCMIHIPVCFKZ-UHFFFAOYSA-N 391.262 2.953 0 40 GFAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCCN2C)c1 257318081 VMKKKWKKKXFYGJ-LJQANCHMSA-N 380.492 2.599 0 40 GFAB CN([C@H](C(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1)S(C)(=O)=O 260897464 MEGUZWUCPHGWAY-IBGZPJMESA-N 387.505 2.858 0 40 GFAB CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1O 632137525 OGYUCMXXCXPNTJ-GXTWGEPZSA-N 388.917 2.607 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1 96025530 XLGCQRIGMKXQRI-QGZVFWFLSA-N 387.457 2.552 0 40 GFAB COc1ccccc1Cn1cnc2cc(C(=O)N3CCC4(COC4)C3)ccc21 620287501 MKEBVFXVKYXLPQ-UHFFFAOYSA-N 377.444 2.956 0 40 GFAB CN1C(=O)C[C@H](C(=O)NCC(C)(C)c2cccc(Cl)c2)[C@H]1c1nccn1C 1615588116 CICNCFDLVLVCJS-RDJZCZTQSA-N 388.899 2.687 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc2c1OCCO2 57115865 LEDNSTZCHRWYSI-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19209088 UHHOZHBNHLXTDL-KCESLBEFSA-N 392.455 2.685 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529758 TUCKQRDULDVKFJ-RQXXJAGISA-N 396.418 2.598 0 40 GFAB Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19556141 NKJCJEADZXZPHI-BFUOFWGJSA-N 382.512 2.559 0 40 GFAB Cc1nonc1CC(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19558990 KCEQOYHGZIHIFL-OWYVNGRQSA-N 398.389 2.788 0 40 GFAB CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19591543 NHVWGNJWRJQEET-NRFANRHFSA-N 394.500 2.959 0 40 GFAB O=C1N[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 169616048 AGBRNNFXUULIMS-ZQIUZPCESA-N 382.313 2.930 0 40 GFAB CCCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCCC)NN32)cc1 4369486 KMPAWXIRQXQFHI-INIZCTEOSA-N 387.509 2.965 0 40 GFAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 13266631 WGSKGOFGACOXAS-CQSZACIVSA-N 378.407 2.888 0 40 GFAB CC(C)NC(=O)c1cnn2c1C[C@H](CNc1nc(C(C)(C)C)ns1)CC2 682398165 QCCIFORUSAZSLB-GFCCVEGCSA-N 376.530 2.845 0 40 GFAB CN1Cc2c(NC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)cccc2C1=O 574256822 NEOHFYCTUHSGSW-KRWDZBQOSA-N 391.471 2.692 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 21048824 LMGGCCFIUYSASR-UHFFFAOYSA-N 399.491 2.925 0 40 GFAB Fc1c(C2CC2)ncnc1N1CCN(c2cc(C3CCOCC3)ncn2)CC1 1888853445 BAYDSNMNIFAYHV-UHFFFAOYSA-N 384.459 2.504 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(-c3cnn(C)c3)cc2)cc1 1889279687 FGRTWWSDWBZHRQ-UHFFFAOYSA-N 398.488 2.567 0 40 GFAB CCOC(=O)NC(=O)COC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1C 17133653 XYMDGKDIYJKOMR-UHFFFAOYSA-N 384.454 2.779 0 40 GFAB Cn1cc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)cn1 2037844609 ZIRDEYCAMNUDDH-VQTJNVASSA-N 382.508 2.532 0 40 GFAB O=C1COC[C@@]2(CN(Cc3ccc(F)cc3F)CCO2)CN1c1ccccc1 2037983676 BXMHKPQDQJQULS-OAQYLSRUSA-N 388.414 2.599 0 40 GFAB O=C(c1ccc(F)cn1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037988484 MZKQSTOFHNVILQ-OAQYLSRUSA-N 383.423 2.649 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@H]3C[C@@]32C(=O)NC2CCC2)c(C)cc1Cl 2056225433 WDBFKOCYEGPFDG-UGSOOPFHSA-N 382.913 2.779 0 40 GFAB COc1ncc(CN2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)cc1C 1565552731 USIKSEMTMUOUBF-AQNXPRMDSA-N 387.524 2.638 0 40 GFAB Cc1cc(C)nc(N2CC[C@H]3[C@H](CC(=O)N(C)Cc4ccccc4)OC[C@H]3C2)n1 1565552211 MREBMGRYSGINQI-NJYVYQBISA-N 394.519 2.983 0 40 GFAB O=C(CCc1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4088632 BIOUPNCCCIZITI-UHFFFAOYSA-N 381.457 2.872 0 40 GFAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 4325641 DDQNHRLWTGLEKF-KRWDZBQOSA-N 392.452 2.878 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccc(OC)c(OC)c3)CC2=O)cc1 4497190 QHRZUOLNZPLXOL-XKGFZTIGSA-N 396.443 2.647 0 40 GFAB Cc1cc(C)cc(-n2ccn(Cc3nc(-c4cccs4)no3)c(=O)c2=O)c1 49407728 ADFAOTGUXWLYIB-UHFFFAOYSA-N 380.429 2.776 0 40 GFAB O=C(NC[C@H](c1ccco1)n1cccn1)C(=O)Nc1ccccc1C(F)(F)F 575614324 QKDVQDNXFKVYKX-CQSZACIVSA-N 392.337 2.839 0 40 GFAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19499437 BSXALHGRFBSHAG-UXHICEINSA-N 396.491 2.652 0 40 GFAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OCC)cc3)cn2)c1N 21774928 DJYPXWYZTVDESE-UHFFFAOYSA-N 395.419 2.677 0 40 GFAB CCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6264315 SQJFPBQPHGBKIT-WTNAPCKOSA-N 388.508 3.000 0 40 GFAB biogenic COc1ccc(Cl)cc1CC(=O)NCCS(=O)(=O)Cc1ccccc1 40090072 MXBKIXABPSTLFA-UHFFFAOYSA-N 381.881 2.622 0 40 GFAB NS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2Cc2ccccc2)c1 32754046 FTJDUKVDWWQALR-UHFFFAOYSA-N 395.484 2.823 0 40 GFAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(-c2nnnn2C2CC2)c1 22549794 MGYMTZLNHFZDOL-UHFFFAOYSA-N 377.330 2.529 0 40 GFAB C[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O 23324770 UDNLNSGVNDPHCZ-OXJNMPFZSA-N 388.851 2.685 0 40 GFAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1OC(F)(F)F 23389799 BVGSEIYBAMFJLX-UHFFFAOYSA-N 375.324 2.792 0 40 GFAB O=C1C(=O)N(CN2CC=C(c3ccccc3)CC2)C(=O)N1Cc1cccs1 23761059 JKHCTXRBIBVXDM-UHFFFAOYSA-N 381.457 2.786 0 40 GFAB CCCN1C(=O)[C@@](NC(=O)C2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12411055 TXQXFFSTVQLJPX-QGZVFWFLSA-N 390.402 2.683 0 40 GFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(Cn4cncn4)cc3)C2)n1 79487301 UMFMGTMKVGWPIQ-GOSISDBHSA-N 391.479 2.588 0 40 GFAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1 3462860 FBNXUNDUJWXAJN-HXUWFJFHSA-N 399.834 2.948 0 40 GFAB COC(=O)c1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 26209778 WNAJVLWEJPVOPF-HNNXBMFYSA-N 395.459 2.669 0 40 GFAB O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCN(c2ccccc2)CC1 7482499 VWEVMTMSDWYNEX-UHFFFAOYSA-N 388.851 2.611 0 40 GFAB Cc1ccc(C)c(N2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)c1 44169759 GLZTUHMLVVVYJL-UHFFFAOYSA-N 379.439 2.986 0 40 GFAB CN(C)c1ncc(CN(Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 57823036 HDOZAPAJASKBOD-UHFFFAOYSA-N 377.448 2.869 0 40 GFAB COCCOc1ccc([C@H](C)N(C)C[C@@H](O)COCCOC(C)C)cc1OC 97165444 ZBGIHTDKKDFJDV-PKOBYXMFSA-N 399.528 2.516 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 12527400 GKUPANOLZKVLRK-UHFFFAOYSA-N 387.505 2.974 0 40 GFAB CC(C)CN1C(=O)CC(=O)N[C@H]1SCC(=O)Nc1ccccc1C(C)C 10426250 OSAYRAZGTJAYFI-LJQANCHMSA-N 377.510 2.770 0 40 GFAB Cc1c(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 58699095 HCFWKKCUOVVUPZ-MRXNPFEDSA-N 393.896 2.626 0 40 GFAB Cc1nc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc1-c1ccccc1 36393929 SQUGDPQGJZEZEY-AWEZNQCLSA-N 379.507 2.729 0 40 GFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCSCC1 2322309 LDGCPOWRNQYDRB-UHFFFAOYSA-N 391.493 2.731 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 54911890 XNNSNKREUOCAQA-UHFFFAOYSA-N 381.476 2.654 0 40 GFAB O=C(Cn1nnc2ccccc21)NCc1ccc(NC(=O)c2ccco2)cc1 11535366 KQRKGVGKUQKQMC-UHFFFAOYSA-N 375.388 2.593 0 40 GFAB CC(=O)N1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 29511671 IXXMYGZEIKLETF-UHFFFAOYSA-N 380.370 2.504 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)ccc1Br 60348737 KOGXPJIOVAANHQ-CQSZACIVSA-N 390.299 2.674 0 40 GFAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 2632547 PUFLMCRFAHVJIL-CSKARUKUSA-N 396.468 2.979 0 40 GFAB Cc1nn([C@H](C)C(=O)N[C@@H](Cn2cccn2)C(C)(C)C)cc1Br 2780761 SMHUGPANYKHYSI-OCCSQVGLSA-N 382.306 2.943 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 3265979 YZASRHODFXBETI-GOSISDBHSA-N 376.416 2.578 0 40 GFAB CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 56998180 OASMFPSSMUXDAN-NHCUHLMSSA-N 398.528 2.824 0 40 GFAB COc1ccc(S[C@H](C)C(=O)NCc2ccnc(N3CCOCC3)c2)cc1 48237516 MTAQVKANELCAGX-OAHLLOKOSA-N 387.505 2.724 0 40 GFAB COc1cccc(-c2noc([C@H](C)NC(=O)CCCNC(=O)c3ccco3)n2)c1 72303546 HKTDKVILSISTEQ-ZDUSSCGKSA-N 398.419 2.726 0 40 GFAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N1CCc2ccccc2C1 12792875 XTIAHDJCQAXRHG-UHFFFAOYSA-N 381.476 2.541 0 40 GFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSC2CCCCC2)cc1 20245697 GDYILERSWUYMFK-UHFFFAOYSA-N 399.582 2.725 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 119911107 PZCJSJAMALAIBG-LLVKDONJSA-N 377.794 2.898 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 3333617 YWOMMVMDEBPTBA-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB CC[C@H](C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)c1ccccc1 12852849 IEUKIBYSYHRILI-NRFANRHFSA-N 379.504 2.641 0 40 GFAB COc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc(OC)c1 3402648 COQMXJUKBVFYMW-UHFFFAOYSA-N 379.796 2.918 0 40 GFAB COc1cc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)ccc1OC(F)F 12988195 CIJJVONNTKBUTK-UHFFFAOYSA-N 389.362 2.545 0 40 GFAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3C[C@H](C)O[C@H](C)C3)n2)n1 13626029 NEDLYPZQDHHYOQ-TXEJJXNPSA-N 380.290 2.964 0 40 GFAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O 65113599 OZKCBRJGGFSZNY-UHFFFAOYSA-N 394.475 2.570 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(-c3nnco3)cc2)c(C)c1 5208277 CINKRRRQGBTCOX-UHFFFAOYSA-N 394.431 2.796 0 40 GFAB O=S(=O)(NNC(=S)Nc1ccc(Br)cc1)c1ccccc1 6616149 WZQPFXPDRXRFTN-UHFFFAOYSA-N 386.296 2.629 0 40 GFAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCOC[C@H]1c1ncon1 95981310 XZBXPQCZHZVBGY-ZDUSSCGKSA-N 377.198 2.527 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(c2nnc3ccccn23)CC1 67443021 PBABMOGLCWDDFY-AWEZNQCLSA-N 393.447 2.665 0 40 GFAB CCc1nnc(NC(=O)C2CCC(C(=O)Nc3nnc(CC)s3)CC2)s1 7348271 YGMHLHJSFWGTRB-UHFFFAOYSA-N 394.526 2.898 0 40 GFAB Nc1nonc1C(=O)NCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 7524509 KXXIBDFANFDKHI-UHFFFAOYSA-N 396.234 2.738 0 40 GFAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 7793471 SFKVIVZVNPOFMG-UHFFFAOYSA-N 377.293 2.626 0 40 GFAB COc1ccc(NC(=O)C[C@@H]2OCCc3ccsc32)cc1-n1nnnc1C 95349309 JVHHSDAVACDGLO-INIZCTEOSA-N 385.449 2.683 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 17887440 UMAMHMRHBSSIHY-FUHWJXTLSA-N 381.819 2.972 0 40 GFAB O=C(N1CCCCC1)N1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 69926697 ZCCRAGHJUARMCR-QGZVFWFLSA-N 390.553 2.635 0 40 GFAB NC(=O)CCSc1nnc(CN2CCCCC2)n1-c1ccc(Cl)cc1 8728459 DWKLHSNWDUMDSG-UHFFFAOYSA-N 379.917 2.874 0 40 GFAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 9061617 KXFFGYZZPQFYFX-UHFFFAOYSA-N 399.472 2.915 0 40 GFAB CCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(OCC)cc2)cc1 9033470 FGQLAMKXUCNSLO-UHFFFAOYSA-N 385.416 2.986 0 40 GFAB Cc1cc(-c2nc(-c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)c2n[nH]cc2c1 546501065 XVWIOMKXQWASBU-FQEVSTJZSA-N 388.387 2.643 0 40 GFAB O=C(NCc1ccccc1)N1CCO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 306128037 GOJUHJYWKCVAAC-HXUWFJFHSA-N 385.489 2.575 0 40 GFAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCO)CN2c1ccccc1 36125635 BMKASOZVZOBERX-UHFFFAOYSA-N 376.460 2.504 0 40 GFAB CCN1CCN(c2ccccc2CNCc2ccc(C[S@](C)=O)cc2)CC1 513105919 DUNOCTKAWIWISE-MHZLTWQESA-N 385.577 2.997 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)CC1 408608794 SHOGJIDJCGKCIA-UHFFFAOYSA-N 394.537 2.935 0 40 GFAB C#CCOc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1OC 33737381 PUCRBXNLZWHFKF-XNTDXEJSSA-N 380.356 2.803 0 40 GFAB Cc1ccc(Cn2ccs/c2=N/C(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 32915785 TZIBGXHRZRKRQL-BSYVCWPDSA-N 392.488 2.631 0 40 GFAB O=C(Nc1ccc(C(F)(F)F)cn1)[C@H]1CC(=O)N(CCc2ccc(O)cc2)C1 524734742 JHBBMUYOKLDXQF-ZDUSSCGKSA-N 393.365 2.836 0 40 GFAB CN1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1 72242138 XJVZPRLGSXQGPH-TZIWHRDSSA-N 397.450 2.820 0 40 GFAB Cc1nnc(S(=O)(=O)Nc2ccc(C(C)C)cc2)n(Cc2ccccc2)c1=O 32611936 ZXNAVJQJXCQUJW-UHFFFAOYSA-N 398.488 2.919 0 40 GFAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@H]5C)CC4)nn3c(O)c2C1 72398760 UYEQSLYSJIMRQG-GDBMZVCRSA-N 397.523 2.563 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 44948959 RSAJROAFOFUXMF-UHFFFAOYSA-N 396.896 2.821 0 40 GFAB COCCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(COC)nn2c1C 40385246 CYMZFPGZPYSNRS-UHFFFAOYSA-N 390.827 2.703 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@@H](C)C2)n1 225897611 JLTTVXBBMGRGHK-OAHLLOKOSA-N 392.573 2.636 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccccc2C(=O)N2CCOCC2)C1 44029849 KSWCMTWQECVWTI-MRXNPFEDSA-N 390.480 2.937 0 40 GFAB COc1ccn2c(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cnc2c1 569962434 WZFQFRPYQYDTSP-RTBURBONSA-N 390.487 2.937 0 40 GFAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(F)cc1F 220090162 QVNLCYVCJLUNNB-UHFFFAOYSA-N 380.416 2.710 0 40 GFAB Cc1nc(C(C)C)ncc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225791343 XBFTXDRDEQKGFO-UHFFFAOYSA-N 382.464 2.595 0 40 GFAB COC(=O)c1ccc(-c2cn([C@@H]3CCC[C@]4(CC=CCOC4)[C@H]3O)nn2)cc1 226086874 JSZPLCSSKADBIA-DYXWJJEUSA-N 383.448 2.781 0 40 GFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)N1C(=O)CCCc2ccccc21 227169320 ICVRGGLYBNGMFP-ZDUSSCGKSA-N 379.416 2.714 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 223593629 JJICRLQGGYRTPG-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(SCC(=O)OC)s1 224231884 YENPNPJBXZTWAT-SNVBAGLBSA-N 381.479 2.772 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1F 222982200 GVIZCGOFZUKSIA-CQSZACIVSA-N 376.403 2.897 0 40 GFAB COc1cccc(NCCc2nc([C@@H](N)c3ccc(OC)c(OC)c3)n[nH]2)c1 95533839 DGFRQBOTGMFYDC-IBGZPJMESA-N 383.452 2.533 0 40 GFAB O=C(O)[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 1594965044 NALXCSYZIFWRCI-INIZCTEOSA-N 383.828 2.993 0 40 GFAB Cc1ncoc1C(=O)N1CC2(C[C@@H](CCOc3ncccc3F)CCO2)C1 248006172 DNLPOIBIUZAKSU-AWEZNQCLSA-N 375.400 2.607 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245230583 UVNKWBCKIUPKEV-WYADAEROSA-N 396.418 2.516 0 40 GFAB CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)N[C@H](C)CC)c(C)n3n2)C1 257275062 NNTLWCIFFBKAOW-RHSMWYFYSA-N 399.539 2.919 0 40 GFAB COc1ccc2c3c1O[C@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 253504325 FNIFBBNFYMIPEZ-RXCHFPMDSA-N 395.499 2.895 0 40 GFAB biogenic,in-vitro COc1ccccc1-c1ccc(CC2(C(=O)N3CC(O)C3)CCOCC2)cc1 257237200 HFNZTBZDJWBBMO-UHFFFAOYSA-N 381.472 2.905 0 40 GFAB CO[C@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@]12CCCO2 257215289 CPMCCBSXOJXFFU-RDJZCZTQSA-N 383.286 2.658 0 40 GFAB Cc1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257327264 XARWIOGRJIZICO-YFVAEKQCSA-N 381.480 2.592 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)c1 260825442 GDRQPIFWLWKGAE-INIZCTEOSA-N 376.478 2.614 0 40 GFAB CC(C)n1c(O)nc2ccc(C(=O)N3CCC(n4ncc5c4CNC5)CC3)cc21 662522970 HWKFGAWEFCVGIK-UHFFFAOYSA-N 394.479 2.600 0 40 GFAB Cc1c(NC(=O)c2nc3cnccc3s2)cccc1C(=O)N1CCOCC1 667047753 FUJZGZSRUXOBDJ-UHFFFAOYSA-N 382.445 2.724 0 40 GFAB Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 96119461 UHNLUZGTCRGHCX-UHFFFAOYSA-N 385.848 2.810 0 40 GFAB O=C(CSc1ccc(F)cc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390829126 CVDBMZXNLMHIPD-SNVBAGLBSA-N 388.390 2.950 0 40 GFAB O=C1C[C@]2(COCCN(Cc3cc(F)ccc3F)C2)CN1Cc1cncs1 585103920 VYAFQTQQGCVGDB-LJQANCHMSA-N 393.459 2.672 0 40 GFAB Cc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc(S(=O)(=O)N(C)C)c1C 67091329 VTZBTGKMXAUFII-ROUUACIJSA-N 390.480 2.979 0 40 GFAB O=C(NCc1ccc(OC2CCCC2)cc1)N1CCC[C@@H](n2cc(CO)nn2)C1 520748181 UMBAXJJOXMFKQY-GOSISDBHSA-N 399.495 2.639 0 40 GFAB Cn1ncc(C2CC2)c1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 661100468 BYOMQTMJNSGUBR-UHFFFAOYSA-N 399.461 2.902 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1C 5326473 RFFAMKGPSODKEQ-UHFFFAOYSA-N 380.347 2.882 0 40 GFAB Cc1cccc(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)c1C 11597832 YXENHBGTWJHKTN-UHFFFAOYSA-N 387.505 2.637 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 12117234 QGRHOVWGQRDZMF-QGZVFWFLSA-N 376.464 2.909 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N[C@@H](C)Cn2nc3c(C)cc4ccccc4n3c2=O)C1 19126906 VZBTWOYGTMIHFI-RYQLBKOJSA-N 396.491 2.668 0 40 GFAB CC(C)c1cc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)on1 19452936 BXSPZEGCKUDIFX-UHFFFAOYSA-N 394.479 2.552 0 40 GFAB Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(-c4cnn(C)c4)no3)c2)n1 19664741 ZEXYHCLCGJEVFJ-UHFFFAOYSA-N 390.447 2.867 0 40 GFAB COc1ccc2[nH]cc(C(=O)N3CCC(c4cc(CN(C)C)n[nH]4)CC3)c2c1 19708937 WKEPOIWXCHZVMV-UHFFFAOYSA-N 381.480 2.981 0 40 GFAB COc1ccc([C@@H](CC(=O)NC(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 19935755 VDYJGYWXMLWGOG-LJQANCHMSA-N 390.505 2.972 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 12157944 IDSXNVVPYROING-PBHICJAKSA-N 387.461 2.601 0 40 GFAB CC1=C(C(N)=O)[C@H](c2cccc(O)c2)N2NC(SCc3ccccc3)=NC2=N1 4574824 YPESZLOGHOBJQV-KRWDZBQOSA-N 393.472 2.672 0 40 GFAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 12922161 ANJYENXFNITSCW-UHFFFAOYSA-N 381.388 2.619 0 40 GFAB CN(C)c1ccnc(N2CCN(Cc3ccccc3Br)CC2)n1 1889131810 NCPKRMAVERITFI-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB CCOC(=O)N1CCC(OC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 41900256 RRKXBIJJIMVJIL-NSHDSACASA-N 378.450 2.897 0 40 GFAB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1cc(-c2cccs2)on1 238931870 VDNVCVUXMBAWKB-AWEZNQCLSA-N 397.412 2.853 0 40 GFAB CN(C)[C@H]1CCN(C(=O)c2cnc(-c3cnc4ccc(Cl)cn34)s2)C1 2037834888 DERSFPBFSSJXBP-LBPRGKRZSA-N 375.885 2.887 0 40 GFAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)Nc3cccc(F)c3)c(=O)c21 12228480 PBJOFHFYIDPEKG-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB COc1ccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)O)cs2)cc1 36584854 BRCOECWKJPAGPQ-CQSZACIVSA-N 380.491 2.684 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)C(=O)c1c(C)[nH]c2ccccc12 30894117 HWVPAPSORCNCIG-UHFFFAOYSA-N 379.416 2.731 0 40 GFAB COc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c1OC 31817876 AYZPOVDTXNOGAH-LBPRGKRZSA-N 381.392 2.817 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1F 32745033 UTBCTZQVZVSVLX-CYBMUJFWSA-N 384.407 2.974 0 40 GFAB CCn1c(S)nc2cc(C(=O)NCCOc3ccc(F)cc3)ccc2c1=O 103098224 NHQDNLQLWDZOMB-UHFFFAOYSA-N 387.436 2.653 0 40 GFAB Cc1noc(C2CCN(CC(=O)NCc3ccc(OC(F)(F)F)cc3)CC2)n1 53640184 HZBQZQMTEYIRAI-UHFFFAOYSA-N 398.385 2.772 0 40 GFAB CN(C)[C@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1cccc(F)c1 22754674 KJRVWWSSPIJYJQ-GOSISDBHSA-N 385.439 2.933 0 40 GFAB COc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 821464 KOIVSCKSKRXUNS-UHFFFAOYSA-N 398.868 2.762 0 40 GFAB CC(=O)Nc1nc(N)nc2c1C[C@@H](N(Cc1ccc(Cl)cc1)C(C)=O)CC2 1568009 ZFBWWJSFJREVFA-HNNXBMFYSA-N 387.871 2.577 0 40 GFAB CN(CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)S(=O)(=O)c1cccs1 24924326 RDTXWRLZHYCODG-MNOVXSKESA-N 384.445 2.606 0 40 GFAB COCCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)S[C@@H](C)C2 3959753 XLYQFJASWDCIAH-LBPRGKRZSA-N 376.503 2.901 0 40 GFAB Cc1cc(C)cc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)c1 4848202 VEQBWTJTNJRNRV-UHFFFAOYSA-N 396.491 2.975 0 40 GFAB O=C(CSc1cccc[n+]1[O-])NCC1(c2cccc(Cl)c2)CCOCC1 56211888 YIIAYSIPPKAODL-UHFFFAOYSA-N 392.908 2.930 0 40 GFAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 100896811 GDCZQRJGPIDFRI-VGWMRTNUSA-N 399.274 2.520 0 40 GFAB CCNc1nc2c(s1)[C@H](c1cc3c(c(OC)c1OC)OCO3)CC(=O)N2 35324910 NEAGTUNJGPRHGH-VIFPVBQESA-N 377.422 2.795 0 40 GFAB CCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 108687293 GIMVPTKWUBFWHI-LJQANCHMSA-N 375.488 2.651 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccc(-n2ccnc2)cc1 58144613 LKBCQDXUKJHAID-UHFFFAOYSA-N 375.384 2.674 0 40 GFAB CN(C)CCCN1CNC2=N[C@@H]([C@H]3CC=CCC3)n3c(nc4ccccc43)N2C1 9262475 ORVHXKLXMVAFGK-FXAWDEMLSA-N 393.539 2.839 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)NCC2CCCCC2)cc1 9613701 KTRRVYXFBMANEC-UHFFFAOYSA-N 380.510 2.644 0 40 GFAB CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 10548752 RZGWWJXZKTVBCZ-CQSZACIVSA-N 394.880 2.579 0 40 GFAB CC[C@H](CCNC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12)n1cccn1 36619007 ZWWBCKIHVNOFSG-OAHLLOKOSA-N 393.451 2.899 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100797842 RSJUOIJTEDHLSK-WMZOPIPTSA-N 393.487 2.745 0 40 GFAB COCCC(=O)N1[C@H]2CC[C@H]1c1c(nc(N(C)C)nc1Nc1ccccc1)C2 100222861 MWJQQFBEQRSWRN-RDJZCZTQSA-N 381.480 2.911 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CC(c4ccccc4)=NO3)cn2)n1 46312398 NBSSUCHQLCTRFR-IBGZPJMESA-N 375.432 2.694 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)ccc1Br 60348738 KOGXPJIOVAANHQ-AWEZNQCLSA-N 390.299 2.674 0 40 GFAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1Br 3237574 ACKHUFCKHWVTHA-UHFFFAOYSA-N 378.178 2.973 0 40 GFAB COc1ccc(N(CC(F)(F)F)C(=O)COC(=O)c2c(C)nn(C)c2C)cc1 12347584 WBGAXHSNARUNJA-UHFFFAOYSA-N 399.369 2.798 0 40 GFAB CCC[C@H](CC(=O)OC)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 95459291 SYKTYFRKOLIOSI-CQSZACIVSA-N 389.477 2.786 0 40 GFAB CN1CCCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4[nH]3)cn2)CC1 48236551 KRWADYRUKDJCFN-UHFFFAOYSA-N 381.455 2.774 0 40 GFAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 12766389 MVAGVVLGECFIOJ-AWEZNQCLSA-N 381.407 2.710 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 12784305 MGIZWQFMYSGCPI-UHFFFAOYSA-N 381.476 2.856 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1F 107233301 JBQATZFCYDKNRE-LPHOPBHVSA-N 389.452 2.569 0 40 GFAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c12 12833851 NIUYRUAJWOGCJP-NSHDSACASA-N 384.461 2.829 0 40 GFAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 25389392 MMHPMHZQOLSDFU-UHFFFAOYSA-N 379.504 2.611 0 40 GFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 63980642 XPRJCLACMZGGQG-CQSZACIVSA-N 379.507 2.926 0 40 GFAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)cc1 13556581 MZZCTSOXAJBWAO-GOSISDBHSA-N 399.472 2.841 0 40 GFAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 5002183 VHKNWTKANGMNCD-AWEZNQCLSA-N 390.461 2.825 0 40 GFAB CCCCn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccc(OC)cc1 4242059 WAALABUWERPSBX-UHFFFAOYSA-N 388.493 2.995 0 40 GFAB C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)C1 20460729 CTBXJPNWXJLRLW-AZUAARDMSA-N 392.565 2.920 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl 14085232 JAEBVFCSFWJMPG-MRXNPFEDSA-N 395.864 2.778 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1 14184207 IGPOAIHYFARYPU-MRXNPFEDSA-N 376.250 2.892 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 14372572 DWSFHHLYOPNXBO-CYBMUJFWSA-N 396.472 2.534 0 40 GFAB Cc1cc(C)cc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 6789950 GNMGSGFAJWJVKP-SFHVURJKSA-N 389.521 2.749 0 40 GFAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@H]2C[C@H](C)OC2=O)c1 95955873 VCBKWKURCARYPM-WFASDCNBSA-N 375.450 2.532 0 40 GFAB COC(=O)c1c(NC(=O)COc2ccc(CO)cc2OC)sc(C)c1C 7063562 WVMOXLIGAHMNOQ-UHFFFAOYSA-N 379.434 2.670 0 40 GFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 7051024 YWIVCAJZQCWGBI-UHFFFAOYSA-N 379.381 2.910 0 40 GFAB COc1cccc(NC(=O)[C@H](NC2CCN(C(C)=O)CC2)c2ccccc2)c1 15501068 QPRDOJNMGIEIQH-OAQYLSRUSA-N 381.476 2.976 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)N1CCC[C@H]2CCCC[C@H]21 7401058 XTOSOLCOMDGXKE-CRAIPNDOSA-N 393.505 2.737 0 40 GFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(OC)c1 7671502 PBBFWEIYYBGCIN-ZHACJKMWSA-N 393.443 2.620 0 40 GFAB CCOc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccc(F)cc1 7602491 ZDKGMVSCCPSMRF-UHFFFAOYSA-N 392.822 2.769 0 40 GFAB CCOc1ccc(NC(=O)c2nnn(-c3ccc(OC)c(OC)c3)c2N)cc1 9530947 AIBQMYSZWGFZCM-UHFFFAOYSA-N 383.408 2.518 0 40 GFAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@@H]2CC)sc(C(=O)NC)c1C 16444965 YLFOIIWZEVRVRP-ZDUSSCGKSA-N 395.525 2.796 0 40 GFAB C[C@@]1(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCS(=O)(=O)C1 8038566 TVGDPJJUEJPNEL-MRXNPFEDSA-N 384.910 2.699 0 40 GFAB COc1cccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)c1OC 8064325 SBRUDGNXWLVJCQ-UHFFFAOYSA-N 397.475 2.667 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCn4c(cnc4C(F)(F)F)C3)cc12 95993063 MMQIGCNRKHFQNU-SNVBAGLBSA-N 378.358 2.693 0 40 GFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(COc2ccccc2)o1 8315188 QZOZQRXCDXPOFQ-LJQANCHMSA-N 376.412 2.911 0 40 GFAB COc1ccc(-n2nnnc2[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 19907567 HBOAVZMUDXCDSS-GOSISDBHSA-N 385.855 2.746 0 40 GFAB COc1ccccc1CCNC(=O)Cn1c(S)nnc1-c1cccc(C)c1 17845833 JPIISAYBYFCBQF-UHFFFAOYSA-N 382.489 2.910 0 40 GFAB COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc3ccccc3n(C)c1=O)C2 91997555 WOFLVUJZASTGJD-AWEZNQCLSA-N 378.428 2.528 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CCOc1cccc(Br)c1 19296513 QCIPSAZZARJTGI-UHFFFAOYSA-N 389.271 2.753 0 40 GFAB O=C(Cn1cc(-c2ccccc2)ncc1=O)N1CCO[C@H](c2ccccc2)C1 72404345 CCQOZVGXJHLRSY-FQEVSTJZSA-N 375.428 2.510 0 40 GFAB O=C(c1ccccc1)C1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 9988446 RLERZYCCWLUYKB-UHFFFAOYSA-N 375.428 2.518 0 40 GFAB Cc1cccc(C(=O)N2CCSCC2)c1NC(=O)N[C@@H]1CCCC[C@@H]1O 89688834 JQHJOQLLAWVDQQ-CVEARBPZSA-N 377.510 2.609 0 40 GFAB Cc1nc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)nn1-c1ccc(F)cc1 89718066 YFIJUFWETLVVKV-RBUKOAKNSA-N 379.439 2.890 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC[C@@H](c3ccsc3)C2)cc1 675008423 XWIZXJHZVHOHAQ-CYBMUJFWSA-N 390.486 2.580 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1F 62022852 METUCIJUTLEXHY-OAHLLOKOSA-N 380.427 2.965 0 40 GFAB COc1ccc(-c2nnc3n2C2(CCN(Cc4ccoc4)CC2)CN(C)C3)cc1 306138196 RSEFJGZTPAZCQY-UHFFFAOYSA-N 393.491 2.983 0 40 GFAB O=C1NC(=O)/C(=C\c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)cc2)S1 33539778 XONBQIKSDBEJAD-VGOFMYFVSA-N 384.369 2.667 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 408598275 YRGPVEYBCOSYBM-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB CCOc1cccc(CNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 30751494 GSXVBHLZUDARIQ-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(C(=O)c4cccn4C)C2)OC3)cc1 306124348 BNGKNYNACHNCRL-QFIPXVFZSA-N 392.459 2.712 0 40 GFAB Cc1cccc(C)c1-n1nnnc1C(C)(C)N1CCN(C(=O)c2ccco2)CC1 35622500 SNIWAEPUWUPACT-UHFFFAOYSA-N 394.479 2.565 0 40 GFAB CC[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)c1ccc(C(C)C)cc1 36612414 CWMSCIWGLYHMLN-SFHVURJKSA-N 398.507 2.897 0 40 GFAB COc1cc(CNC(=O)c2ccnc(N(C)C)c2)cc(Br)c1OC 72056188 NWIPLCOMGJZWJO-UHFFFAOYSA-N 394.269 2.857 0 40 GFAB CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 30868049 VZEWCKJEVDLUCY-MRXNPFEDSA-N 380.853 2.530 0 40 GFAB CN1CCN(C(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)CC1(C)C 568216778 BOAJRGNGUJUOJT-UHFFFAOYSA-N 391.475 2.981 0 40 GFAB CSc1cccc(NC(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)c1 49009289 NVGNYJWUGSAWKN-UHFFFAOYSA-N 391.456 2.919 0 40 GFAB O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ncc[nH]1 72370421 RVTNISFSKWKCHA-HNNXBMFYSA-N 398.532 2.944 0 40 GFAB CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 226048253 PLQQAUXLRKPLHJ-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB COC(=O)[C@H]1CN(C(=O)CCc2c(OC)cccc2OC)c2ccccc2O1 225993225 VGKIHWQCJGODNW-LJQANCHMSA-N 385.416 2.604 0 40 GFAB O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)NCCC1=CCCCC1 49401690 YMVFFIWYBCXUCE-UHFFFAOYSA-N 395.488 2.922 0 40 GFAB C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)NCc1cccs1 26426967 UPZFULMMCFDVOA-JTQLQIEISA-N 388.367 2.946 0 40 GFAB Cc1cnc(C(=O)N2CCO[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 257316598 VGFWFJNKZUTJAF-GOSISDBHSA-N 382.395 2.717 0 40 GFAB Cc1noc(C)c1-c1nc([C@H]2CCCN(S(=O)(=O)C(C)C)C2)ccc1CO 257221633 DPXPVHUNINGYEB-HNNXBMFYSA-N 393.509 2.763 0 40 GFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)c1F 253473099 RKDSQQRUVMMWGV-KRWDZBQOSA-N 395.438 2.716 0 40 GFAB COc1ncccc1C(=O)N1CCO[C@H](c2cccc(-c3c(C)noc3C)n2)C1 257217068 CXGPQKOAAHCCQN-SFHVURJKSA-N 394.431 2.971 0 40 GFAB CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc4c(nc3O)CCC4)CC[C@H]21 257330328 XNXFDQIFAIRZDF-SFHLNBCPSA-N 377.488 2.836 0 40 GFAB CC(C)n1nccc1-c1cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccn1 257313846 UUJDLDNQXJNJFK-MRXNPFEDSA-N 377.514 2.512 0 40 GFAB CN(C)c1cccc(C(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)c1 390829070 CPHFUZYRJKGMTG-LJQANCHMSA-N 390.480 2.894 0 40 GFAB Cn1cc(/C=C/C(=O)N2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cn1 585290362 QOJNEZQWYWZPEL-XGTLJDLRSA-N 381.476 2.800 0 40 GFAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]1CCc2cc(F)ccc21 668021078 ZCOYEHRGTRUQID-SGTLLEGYSA-N 376.453 2.723 0 40 GFAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(Br)ccc1F 55311607 GPGDFEYOBHYHBF-UHFFFAOYSA-N 378.175 2.989 0 40 GFAB CC[C@@H]1CCO[C@@H]1C(=O)NS(=O)(=O)c1cc(Cl)cc(Br)c1 1548449233 MPIGWSHEGXJGRY-PELKAZGASA-N 396.690 2.723 0 40 GFAB COc1c(C)cccc1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159676 PFEFIYFFSXTHQG-QFIPXVFZSA-N 380.444 2.652 0 40 GFAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1OC(C)=O 5578094 XDZFPVTZERQHKU-QGZVFWFLSA-N 376.409 2.590 0 40 GFAB COc1cc2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc2c(OC)c1OC 12144324 PANWCAOGGLORMT-UHFFFAOYSA-N 398.415 2.937 0 40 GFAB Cc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2c1cnn2-c1cccc(Cl)c1 13970618 LNVCHBBPAWHMEB-UHFFFAOYSA-N 399.882 2.803 0 40 GFAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cccc(I)c1 16156209 VFDICGXUUGFPGQ-DJBIQUGXSA-N 379.197 2.993 0 40 GFAB COc1ccc(/C=C/c2nc3s/c(=C/c4cccc(OC)c4)c(=O)n3n2)cc1 16807431 VYVQLKAXZCJFCB-AXXDXGDFSA-N 391.452 2.886 0 40 GFAB COc1ccc(-n2[nH]c3[nH]c(CSc4ccccn4)cc(=O)c3c2=O)cc1 17077743 KTWZQGDVKKKKME-UHFFFAOYSA-N 380.429 2.703 0 40 GFAB CC(C)N1CCc2nc3cc(C(=O)N4CCC[C@@H](C)C4)ccc3c(=O)n2CC1 19496476 SGOVPTADLNHBAA-MRXNPFEDSA-N 382.508 2.535 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19520076 NEUVKPOOECPARE-IBGZPJMESA-N 394.475 2.757 0 40 GFAB Cc1cc(=O)n(CCC(=O)N2CCCN(c3ccccn3)CC2)c2ccccc12 19566538 CUUMCCOANRYIDA-UHFFFAOYSA-N 390.487 2.834 0 40 GFAB CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 19583235 QGNCICLZFSAQHN-KRWDZBQOSA-N 395.482 2.691 0 40 GFAB COc1ccc(CN2CC[C@H]3NC(=O)CCC[C@H]32)cc1Cn1nc(C)cc1C 19713255 NPVDDQJXDWYYRK-WOJBJXKFSA-N 382.508 2.800 0 40 GFAB CCCN1CCN(c2nc(N(C)C)nc3c2CCN(Cc2ccccc2)C3)CC1 12242122 UWAHQIIMCKXZMX-UHFFFAOYSA-N 394.567 2.633 0 40 GFAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc2c(c1)CCC2 5573446 KFPMRVCUPJPCIB-CYBMUJFWSA-N 387.457 2.975 0 40 GFAB O=C(CSc1ccncc1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037977939 YQRRSHNQECGVEB-NRFANRHFSA-N 397.500 2.598 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4)cnc32)cc1 4165800 UYPJDKZRFWQIJW-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1 4303343 RKWOTHRVTQMRHK-UHFFFAOYSA-N 377.422 2.757 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 4583266 BZIPWLUTUOEIDI-FMIVXFBMSA-N 377.492 2.829 0 40 GFAB COc1cccc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c1OC 36699922 PEAVMGVLKYBTQO-FQEVSTJZSA-N 384.476 2.897 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccnc(N3CCCC3=O)c2)c1C 575620823 VPUBMRFAZLFYCJ-UHFFFAOYSA-N 387.505 2.921 0 40 GFAB O=C([C@H]1CCCN(c2ncc(Br)cn2)C1)N1CCC(F)(F)CC1 2298188644 ZXSRGZXXBVWMBF-NSHDSACASA-N 389.244 2.713 0 40 GFAB COc1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc(OC)c1OC 12428191 PKNRUVGZMHRLOP-UHFFFAOYSA-N 395.415 2.929 0 40 GFAB biogenic,in-vitro Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 30852447 ODUWGIDLNSHDGK-UHFFFAOYSA-N 379.416 2.765 0 40 GFAB COc1cc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)cc(OC)c1OC 20426866 RQXKFUYUEMDTLF-UHFFFAOYSA-N 389.799 2.594 0 40 GFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N12 101096947 IDRVIQXMNRIGPG-YWTNHNAXSA-N 389.455 2.808 0 40 GFAB O=C1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c2ccccc2N1 32426684 CNCDBNAVMNOFFB-INIZCTEOSA-N 375.428 2.514 0 40 GFAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(=O)[nH]n1 21123742 TXHQPJHPDGLFIN-UHFFFAOYSA-N 385.427 2.612 0 40 GFAB O=C(Cn1ccccc1=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 32796127 IPTKTNXJWYLTBZ-UHFFFAOYSA-N 393.512 2.921 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 21746136 XMIGXCHQKIRHLW-LBPRGKRZSA-N 379.917 2.770 0 40 GFAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCN3C=O)cc1 32932952 JSEYWMOIOKVWKI-FQEVSTJZSA-N 386.473 2.740 0 40 GFAB CC(C)(CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)N1CCOCC1 32902397 TZZFFXBQBOEVMC-UHFFFAOYSA-N 375.444 2.640 0 40 GFAB COc1cccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)c1OC 639482 LDEJTBIWTRSIFS-WJDWOHSUSA-N 379.441 2.691 0 40 GFAB CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c1 23003603 GWGOVDBHCVXNTN-UHFFFAOYSA-N 393.440 2.723 0 40 GFAB COc1ccc2c(COC(=O)c3cnc4c(c3)c(C)nn4C)cc(=O)oc2c1 24149216 FQGOSLTYMACBCA-UHFFFAOYSA-N 379.372 2.749 0 40 GFAB O=C(COc1ccccc1)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 61718892 CHXAEOYBWMXKPQ-UHFFFAOYSA-N 377.444 2.968 0 40 GFAB CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)Cc1ccc(F)cc1 1368367 DKFLRNIDBFUOQF-UHFFFAOYSA-N 391.468 2.980 0 40 GFAB COC(=O)c1cccc(C(=O)OC)c1-c1c(C(=O)OC)cccc1C(=O)OC 1673229 DOCYRKPSQYKQIU-UHFFFAOYSA-N 386.356 2.500 0 40 GFAB O=C(O)[C@H](c1ccccc1)C1(O)CCC(O)([C@H](C(=O)O)c2ccccc2)CC1 1734039 WUSODLUXVMKGLC-HTAFUYNTSA-N 384.428 2.759 0 40 GFAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@@H](C)O1 105872717 JZTFKLHTJOCROK-XQQFMLRXSA-N 397.855 2.682 0 40 GFAB NS(=O)(=O)c1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 24595085 CYBHOXRWMDLVHX-UHFFFAOYSA-N 392.908 2.768 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Br)o1 3009634 BEXOOCHWUQMLNU-UHFFFAOYSA-N 379.210 2.767 0 40 GFAB CCOC(=O)c1c(N)n(-c2ccc(C(=O)O)c(O)c2)c2nc3ccccc3nc12 3101582 LPXBKECBHYNHLN-UHFFFAOYSA-N 392.371 2.736 0 40 GFAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 4861056 WBTUGHSRQNWMSQ-ZDUSSCGKSA-N 388.917 2.666 0 40 GFAB COCCNC(=S)N1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccc(C)cc1)C2 4888318 RTPFQESCONKTHP-AYHJJNSGSA-N 375.538 2.631 0 40 GFAB C[C@H]1Cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2N1S(C)(=O)=O 7666767 WRSYLUBIPZOGMU-LBPRGKRZSA-N 378.881 2.981 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2CC(C)C)cc1 7845181 GUOXZDDHIIEYNC-CQSZACIVSA-N 389.525 2.780 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)cc1 1461394 DVFRXCIZRXFZSJ-OAHLLOKOSA-N 392.411 2.607 0 40 GFAB CC(C)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)C(N)=O 107185476 ANYPIAFTXUHHHO-OAHLLOKOSA-N 395.290 2.908 0 40 GFAB C[C@H](O)CN1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C[C@@H]1C 108093710 TWFYDXYNIKKSTJ-STQMWFEESA-N 394.422 2.755 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)CCC2 8344329 ABIXNCSIXWBUEW-UHFFFAOYSA-N 383.467 2.891 0 40 GFAB COc1cc(CCC(=O)N[C@H](C)c2c(C)nn(C)c2C)cc(OC)c1OC 58016457 YZDIORYQMWXAED-GFCCVEGCSA-N 375.469 2.873 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c1C 2152310 CQNDWRCAXXGMFD-INIZCTEOSA-N 389.448 2.967 0 40 GFAB biogenic CCCCN1C(=O)[C@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 103087975 FVKQFELKGIGCNI-UIVXKWKOSA-N 389.883 2.517 0 40 GFAB COc1ccc(OC)c(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)c1 2409179 IQWUNPFBJQYMBH-MHWRWJLKSA-N 383.404 2.522 0 40 GFAB CC[C@@H](C)n1c(=S)[nH]c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20113324 ZFASTAFOEXHEKB-HWPZZCPQSA-N 391.493 2.835 0 40 GFAB biogenic O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(C(=O)N2CCOCC2)c1 46020590 RGGFEHKTKNOXNE-UHFFFAOYSA-N 378.432 2.607 0 40 GFAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 29780316 FWFCZAXKISJVRM-QZTJIDSGSA-N 394.475 2.828 0 40 GFAB CN1CCN(CC(C)(C)CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)CC1 100763469 XAVACSPPZPMQFP-RTBURBONSA-N 389.559 2.914 0 40 GFAB O=C(NCCCN1CCc2ccccc21)NCc1cccnc1-n1ccnc1 26387550 QFMOWMBETZLMBF-UHFFFAOYSA-N 376.464 2.519 0 40 GFAB Cc1nn(CCCNC(=O)CCn2cc(Br)c(C)n2)cc1Cl 2805118 QWRSJZXEVRNFHW-UHFFFAOYSA-N 388.697 2.709 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)CCSc1ccc(F)cc1 3380122 GPGDWECHGWQGHF-UHFFFAOYSA-N 382.438 2.650 0 40 GFAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)o2)cc1 3357217 LZHBPURSDZACFQ-LJQANCHMSA-N 396.443 2.613 0 40 GFAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCN1C(=O)CSC1=O 3340614 PKDMPUHWHCHYFW-UHFFFAOYSA-N 397.667 2.837 0 40 GFAB COC(=O)c1sc2nc(CSC3=N[C@H]4CCCC[C@@H]4N3)[nH]c(=O)c2c1C 12851196 PWLSPFCZMXYGAF-UWVGGRQHSA-N 392.506 2.583 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)c1 3420047 NGFUNMDDZADSAJ-UHFFFAOYSA-N 391.427 2.755 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@@H]21 96010452 DIHVVYGVJHFMOP-BHYGNILZSA-N 387.480 2.777 0 40 GFAB COc1ccc(CN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 4029633 AXWDAVREDYJXLP-QHCPKHFHSA-N 389.455 2.819 0 40 GFAB biogenic O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1nccc2ccccc12 64733730 MRIZNMOGGWKWLU-UHFFFAOYSA-N 393.418 2.880 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 6084904 RCDZNVHYIFHWDJ-UHFFFAOYSA-N 396.881 2.595 0 40 GFAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc(C(N)=O)c1C 6047153 NJNYZTIHIQTNIO-UHFFFAOYSA-N 392.433 2.602 0 40 GFAB CCc1c(O)nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c1=O 9335018 VGEBTVMHOOUZOB-UHFFFAOYSA-N 384.255 2.531 0 40 GFAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)c(=O)c2c1C 5011012 AKJOKDHWOVOSFM-SNVBAGLBSA-N 383.429 2.677 0 40 GFAB CC(C)OCCCNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944953 PNARDTDSGSANFK-MRXNPFEDSA-N 389.471 2.629 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4437091 JGPMUIVEYXHJAE-HNNXBMFYSA-N 384.407 2.923 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@@H](O)c1ccccc1 6658669 HEFHOGOTHFXRTD-LJQANCHMSA-N 379.412 2.510 0 40 GFAB CCOC(=O)[C@](NNc1ccccc1)(NC(=O)c1ccccc1)C(F)(F)F 5709815 BSRHDXOHQDPZGN-QGZVFWFLSA-N 381.354 2.855 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 4901752 NDFWNZGKOVMIII-UHFFFAOYSA-N 384.432 2.752 0 40 GFAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1cc(OC)ccc1OC 5959408 LRRFLQWAGGWQGR-JXMROGBWSA-N 388.489 2.943 0 40 GFAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(C)C2)sc1-c1ccccc1Cl 72404708 DDESKKXSYYDIAS-VIFPVBQESA-N 393.852 2.667 0 40 GFAB CN(Cc1ccoc1)Cc1cc2n(n1)CCCN(c1ncnc3[nH]ccc13)C2 72453899 MTDOVMJVWZAXGQ-UHFFFAOYSA-N 377.452 2.790 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 16046363 PAGZPOXBFZWCJV-UHFFFAOYSA-N 396.399 2.689 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 7778481 WKLBYEZORFDSBF-CABZTGNLSA-N 393.793 2.925 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1 8014670 DMLBXTWZSAAWCO-UONOGXRCSA-N 379.416 2.706 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2C1=O 8076953 IFYMTKRQBZBOBK-UHFFFAOYSA-N 386.835 2.903 0 40 GFAB Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)ccc21 39768888 SPUQLCMQAVQRON-UHFFFAOYSA-N 396.466 2.867 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 409382927 YETIFJHCYIIPIH-CQSZACIVSA-N 392.477 2.805 0 40 GFAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)o1 72342636 OJUWJIOYUHTATG-VRDGXABNSA-N 394.475 2.977 0 40 GFAB CCn1c(=O)n(CCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c2ccccc21 32847820 LJHSHJYKMBXXRQ-UHFFFAOYSA-N 395.415 2.783 0 40 GFAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3cnccn3)CC2)cc1 70898353 PQPZJLDBTMVJHD-UHFFFAOYSA-N 381.480 2.571 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@@H](C)Cn3cccn3)c3cnn(C)c3n2)cc1 36613364 RPOMPYUVXMMWJA-AWEZNQCLSA-N 390.447 2.659 0 40 GFAB CN1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1 72242139 XJVZPRLGSXQGPH-CTNGQTDRSA-N 397.450 2.820 0 40 GFAB COc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 77261730 WCHCCHCBARZTPZ-BRSBDYLESA-N 395.377 2.722 0 40 GFAB biogenic,in-vitro Cc1csc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)n1 40266738 NASAJJLPTGGXSC-UHFFFAOYSA-N 398.488 2.900 0 40 GFAB Cc1ccc(C)c(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)N(C)C)c1 44841365 OUSKKHIPRXPONM-UHFFFAOYSA-N 375.494 2.579 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 223628082 MCUWCNOKCLZHKA-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)c1 222769250 FGONYPUQXOHVIW-UHFFFAOYSA-N 390.505 2.685 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1=O 570602008 PHHBWRQRADHVGG-JOCHJYFZSA-N 398.482 2.904 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1 224215656 IVEHSUNQTMAVSO-UHFFFAOYSA-N 392.908 2.724 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cnnn1Cc1ccccc1 570832690 ZJSDEVQBKVXZOQ-UHFFFAOYSA-N 375.476 2.721 0 40 GFAB COc1ccc2oc(=O)cc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 85877994 DHWIYPVIRPQSNX-ZBFHGGJFSA-N 378.428 2.583 0 40 GFAB biogenic COc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 222989602 GGQZICJDLFCCOO-UHFFFAOYSA-N 390.490 2.551 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](O)(c1cccs1)C1CC1 77099545 WBCLYYPOYYEKDJ-SFHVURJKSA-N 394.880 2.763 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)ccc1C 223896307 FYUNLVXSGFIFKS-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB COc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2cccnc2)n1 225939220 YFIRGCUOHOAKJT-UHFFFAOYSA-N 392.488 2.887 0 40 GFAB CN(CC(=O)NCCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223397243 DPJXVGINZUDWFB-UHFFFAOYSA-N 380.897 2.710 0 40 GFAB CN(C)c1nc(-c2cccc(F)c2)nc2c1CN(C(=O)c1cccnc1)CC2 96058574 MWPHTLFZCCJUSL-UHFFFAOYSA-N 377.423 2.942 0 40 GFAB COc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)c2ccccn2)CO3)cc1 96221073 SDLWMGBLIGFFLY-SFHVURJKSA-N 381.476 2.644 0 40 GFAB O=C(c1ccc(F)c(F)c1)N1CCCn2c(CN3CCCCC3)nnc2C1 96259683 DMFGTIUAUXWSEP-UHFFFAOYSA-N 375.423 2.588 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](N(C)Cc1cccnc1)CO2 96220883 BBMNTVDYPGICQV-SFHVURJKSA-N 384.480 2.582 0 40 GFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc2ccc(O)nc12 584017433 RGWXBVYTOJKKJT-LJQANCHMSA-N 391.471 2.961 0 40 GFAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2[C@H]4CCCC[C@H]42)C3)C1 247940514 NEWOKEPTECYZQZ-LBKNJMOBSA-N 382.508 2.523 0 40 GFAB COC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242498519 HJXBZSUEMQPWKH-SCTDSRPQSA-N 393.505 2.993 0 40 GFAB CCc1nnsc1C(=O)N1CC[C@H](Cc2cnc(-c3c(C)noc3C)cn2)C1 257218639 DDYBJPUUQKQJPP-CYBMUJFWSA-N 398.492 2.867 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257279807 OIGDEPMLTHBYFW-FQEVSTJZSA-N 376.464 2.573 0 40 GFAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257301129 RXCPTDUMTOKJDV-AWEZNQCLSA-N 378.473 2.868 0 40 GFAB CN(C)[C@H]1CC2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)OC[C@]1(C)O 257267683 MIIJSMQWBFJKEO-UNMCSNQZSA-N 397.519 2.758 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 257240250 HSSZLNUCBKRYPI-LFGUQSLTSA-N 383.536 2.744 0 40 GFAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@H]3CC(=O)N(C)C3)cc12 619012801 RZYQZNCZELNMBA-OAHLLOKOSA-N 382.489 2.663 0 40 GFAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 625256685 ITLRKKSJMNUYSL-JRGCBEDISA-N 383.536 2.690 0 40 GFAB CN1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2ncnc3c(F)cccc23)CC1 1651418336 CYARMJISDBASJU-LJQANCHMSA-N 393.466 2.566 0 40 GFAB CCC(CC)c1cc(CNC(=O)N2CCC3(CC2)NC(=O)[C@@H](CC)O3)on1 1615591768 SPRWBXPEWWUJGG-MRXNPFEDSA-N 378.473 2.505 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-n4cccc4)cc3)C2)cc1 96378022 MXFMGEAPWUUVQO-UHFFFAOYSA-N 396.468 2.784 0 40 GFAB CS(=O)(=O)N[C@H]1CCCN(c2ccc3ccc(Br)cc3n2)C1 811725962 MPNHMGQVWGOACH-ZDUSSCGKSA-N 384.299 2.515 0 40 GFAB OC1(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 585282001 FDMAALIPXFJPJQ-FQEVSTJZSA-N 383.916 2.867 0 40 GFAB Cc1ccccc1C(=O)N1CC[C@H]2O[C@H](C(=O)N(C)Cc3ccccn3)CC[C@H]21 585108654 QYAUVARSCQDNGI-NJYVYQBISA-N 393.487 2.811 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c1 72307494 PBVNVSIMHBFRDV-UHFFFAOYSA-N 399.509 2.960 0 40 GFAB O=C1[C@H](N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)CCN1C1CC1 1776001358 OMCOGFBMOXKYFL-OAQYLSRUSA-N 392.503 2.998 0 40 GFAB O=S(=O)(NCc1ccc(-n2cncn2)cc1)c1ccc(C(F)(F)F)cc1 47407078 XYFTUNAGUFCPFI-UHFFFAOYSA-N 382.367 2.765 0 40 GFAB Cc1ccc(NC(=O)CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)cc1 57024521 NXCXLXGJPXBZQE-UHFFFAOYSA-N 391.479 2.885 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 5934616 XXLGZGYZKOLZDY-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB COc1cccc(C2(O)CCN(CCNC(=O)Cc3cccc(C)c3)CC2)c1 12291043 KSBQYBMSUWBBPB-UHFFFAOYSA-N 382.504 2.646 0 40 GFAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 12739625 PUCRDUYNPGTRLY-CQSZACIVSA-N 381.432 2.659 0 40 GFAB O=C(C1CCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19404068 DZFGZHVHKCDNFW-MRXNPFEDSA-N 380.496 2.973 0 40 GFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)CC)C1 19498681 CCNNRUWZRKODOV-JOCHJYFZSA-N 380.492 2.841 0 40 GFAB CCC(=O)N1CCO[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19498998 PZXBGIQGAHXYHL-HSZRJFAPSA-N 395.503 2.823 0 40 GFAB O=C(Cc1ccccc1OC(F)F)N[C@@H]1CS(=O)(=O)Cc2ccccc21 623002548 WUBGXRTYRWYFNC-OAHLLOKOSA-N 381.400 2.616 0 40 GFAB CCN1CCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1=O 541621429 BWEPPJSSHNBENP-UHFFFAOYSA-N 381.263 2.516 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)OCCCc1cccnc1 36395619 PJKPUKLARODPEE-UHFFFAOYSA-N 388.489 2.964 0 40 GFAB CC[C@@H](c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C 2726049 HHKODPGQVZDKJM-LBPRGKRZSA-N 388.453 2.863 0 40 GFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl 22522241 GUOABQSOGJTUPU-CQSZACIVSA-N 393.292 2.658 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)Nc3ccccc3)CC1)C2=O 23642214 AVJMRTYQVSAYCS-UHFFFAOYSA-N 398.507 2.795 0 40 GFAB CC(C)c1cc(C(=O)N2CCC[C@]3(C[C@@H](O)[C@H](c4ccccc4)NC3=O)C2)on1 2037873510 RXCHVRWAMOJUTH-LZNRXBQRSA-N 397.475 2.643 0 40 GFAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912087 GCVWFCXFCJFOCU-OAQYLSRUSA-N 385.439 2.929 0 40 GFAB Cc1c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1C(C)C 4370591 SKZDNIIWZGDMQP-UHFFFAOYSA-N 379.464 2.590 0 40 GFAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)[C@H]2C)cc1OC 4770598 HYFKLXRWAOTCQV-AUUYWEPGSA-N 377.462 2.855 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 5154099 PVBHXLJYYPXMGT-UHFFFAOYSA-N 390.436 2.861 0 40 GFAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc3ccccc3c2)n1 7419000 QSXGVBDTGVLZDA-UHFFFAOYSA-N 389.415 2.743 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)no1 8892963 BYECMMFYYVEDBO-HNNXBMFYSA-N 376.482 2.717 0 40 GFAB O=C(c1ccco1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44097223 NOLVIQJAJBMCJW-UHFFFAOYSA-N 393.325 2.706 0 40 GFAB Cn1cc(-c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cn1 575617191 TXXNDNPGVGIROG-UHFFFAOYSA-N 380.832 2.753 0 40 GFAB Cc1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1C 585148469 HFQWQNOPPMGEEY-UHFFFAOYSA-N 397.397 2.735 0 40 GFAB O=C(CCn1cnc2ccccc21)N1CCN(CCOc2ccccc2)CC1 30019441 CDPHHXKEQVLTHY-UHFFFAOYSA-N 378.476 2.650 0 40 GFAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40118483 FGYZEHGBOCSAQP-OAQYLSRUSA-N 392.390 2.989 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCN(Cc2ccco2)CC1 40104580 ORGQNMMDODGSCV-UHFFFAOYSA-N 382.464 2.865 0 40 GFAB Cc1cc(C)c(OC[C@@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c(C)c1 100752411 KWKRIGZKAKCZPZ-AQNXPRMDSA-N 382.504 2.633 0 40 GFAB biogenic CCOC(=O)C1=C(COc2cccc3c2CCC3=O)NC(=O)N[C@H]1c1ccco1 32789192 HSABGCDRGBQCQC-IBGZPJMESA-N 396.399 2.659 0 40 GFAB COc1ccc(OC)c(CCC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)c1 32832901 XTXIWCYKNJFHKI-UHFFFAOYSA-N 393.443 2.931 0 40 GFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1OC 102870614 OXRDEAYKXQORJN-DOTOQJQBSA-N 386.791 2.650 0 40 GFAB O=C(NCCNc1ncccn1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103235762 KFLFLNNQCQMBHI-QJRTVWDNSA-N 379.302 2.739 0 40 GFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(N(C)C)nc1 22395290 XTHNTUKQKFWYNH-OAHLLOKOSA-N 376.460 2.987 0 40 GFAB CCOC(=O)Nc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 23458257 PVHZJPIAWMTPAP-UHFFFAOYSA-N 377.441 2.948 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 937618 IFSURFQCFHLNJX-UHFFFAOYSA-N 390.490 2.878 0 40 GFAB COc1cccc(Cn2c(S)nc3ccc(N4CCOCC4)cc3c2=O)c1 2975999 NXRCVLFEOSDCPM-UHFFFAOYSA-N 383.473 2.579 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)N3CCc4ccccc43)CC2=O)c1C 3219638 UNFLDOUQCPKAEW-GOSISDBHSA-N 392.455 2.789 0 40 GFAB COc1cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)ccc1OC(F)F 3367406 TYUAWTFXUFLYOV-UHFFFAOYSA-N 385.363 2.677 0 40 GFAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3525298 XUKMUEQILFTNNR-WCQYABFASA-N 386.370 2.680 0 40 GFAB O=c1cc(Cc2nnc(SCc3ccccc3)n2-c2ccccc2)[nH]c(=O)[nH]1 4061331 FKFCLPNKCXBSGZ-UHFFFAOYSA-N 391.456 2.527 0 40 GFAB CCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC 4064396 DMZMXVGCMNPARZ-NYVOZVTQSA-N 390.524 2.898 0 40 GFAB biogenic Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4497454 SSIPMFCRPYVUSV-AWEZNQCLSA-N 379.391 2.720 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 4514246 AFDFRWGUEGUURO-LJQANCHMSA-N 391.349 2.900 0 40 GFAB CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCC(N)=O)ccc21 4674849 NLBOZXMRTUMFIL-UHFFFAOYSA-N 380.448 2.525 0 40 GFAB CCOc1ccccc1-n1nnc(-c2nc(-c3ccc(OC)cc3)no2)c1N 5043192 JMCDVGLLUDNPMJ-UHFFFAOYSA-N 378.392 2.974 0 40 GFAB COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c1 5190077 GNKDVCGKGAKDCX-INIZCTEOSA-N 382.420 2.581 0 40 GFAB O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1F 5250698 UFBUVXGJROPERF-UHFFFAOYSA-N 384.454 2.557 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 5289433 HGTIYJRKONBXFH-DVOMOZLQSA-N 376.478 2.728 0 40 GFAB CC(C)(C)OC(=O)n1cnc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 5881942 QASQSKCFDDEAKG-HNNXBMFYSA-N 389.408 2.588 0 40 GFAB COCCNC(=O)CSc1nnc(CCc2ccccc2)n1CC(C)C 6327416 IEIPTCSBPLMBSY-UHFFFAOYSA-N 376.526 2.574 0 40 GFAB O=C(OCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCC2)cs1 6680521 AJQKMTYTORXHPI-UHFFFAOYSA-N 395.458 2.618 0 40 GFAB Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 7267906 QFXVEGDWWVOARZ-HNNXBMFYSA-N 383.448 2.930 0 40 GFAB C[C@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1cccs1 7346025 LNPNHXHDPWARNO-ZDUSSCGKSA-N 388.518 2.845 0 40 GFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c(C)c1 7777746 UKGDYDNMAZAMSH-KRWDZBQOSA-N 385.508 2.800 0 40 GFAB COc1ccc(OC)c(-c2csc(NC(=O)C[C@H]3CCS(=O)(=O)C3)n2)c1 7922301 OSKXDYCENMFMQM-LLVKDONJSA-N 396.490 2.591 0 40 GFAB Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1C 8338095 FVWUGVUFVCUFGJ-HNNXBMFYSA-N 383.423 2.550 0 40 GFAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1cccc(Cl)c1 8732507 OAWACTBHNYLNLB-LBPRGKRZSA-N 388.807 2.795 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C 9036549 MUONSPUNTHUCEQ-OAHLLOKOSA-N 376.453 2.774 0 40 GFAB O=C(COc1ccccc1P(=O)(O)O)Nc1cccc(C(F)(F)F)c1 9305945 DQWLOEBUOMVYPR-UHFFFAOYSA-N 375.239 2.526 0 40 GFAB in-vitro Cc1cnc2c(c1SCC(=O)c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 9471731 AKDIBVJMFCBQDJ-UHFFFAOYSA-N 389.864 2.569 0 40 GFAB CCN1CCOc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C1=O 9828125 WSXUKVGOBMFJBX-UHFFFAOYSA-N 378.384 2.900 0 40 GFAB CCNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10692975 WRMWGHJNPSCVPG-UHFFFAOYSA-N 379.309 2.671 0 40 GFAB COCCn1c(C)cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1C 11459293 SRSIYRAIUYIBCV-UHFFFAOYSA-N 382.416 2.633 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 11714592 KSTKIRKSCNNFMZ-UHFFFAOYSA-N 387.505 2.584 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(C(C)=O)ccc2OC)cc1 11977678 BRUZRPKKWTUNTC-UHFFFAOYSA-N 391.445 2.553 0 40 GFAB O=C(C[C@](O)(c1ccco1)C(F)(F)F)NCCCn1cnc2ccccc21 12548263 UYNAJDIWQCVLBX-KRWDZBQOSA-N 381.354 2.976 0 40 GFAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 12612761 DHPRDCSFYDKVTE-UHFFFAOYSA-N 380.492 2.997 0 40 GFAB COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(OC)c1 12614779 IXZMPNVKKREWGE-UHFFFAOYSA-N 397.475 2.537 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C[C@@H]1COc2ccccc2O1 12921707 OPBSCUMSGVPVTO-HZPDHXFCSA-N 395.459 2.522 0 40 GFAB CC[C@H](NC(=O)CN1CCCN(C(C)=O)CC1)c1ccc(Br)cc1 12985100 RHOMGYRKLLDZMT-KRWDZBQOSA-N 396.329 2.571 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1C(=O)O 12990912 PTBLORNJDODEPV-UHFFFAOYSA-N 393.325 2.639 0 40 GFAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225344 WRHXPKLPYDWXOR-QGZVFWFLSA-N 391.475 2.553 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)no1 13579204 AXIWFOUUPKIOTL-UHFFFAOYSA-N 393.399 2.960 0 40 GFAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCO)cc1Cl 13609520 AAQYHEIGEZYLNY-UHFFFAOYSA-N 386.835 2.950 0 40 GFAB C[C@@H](C(=O)NCCCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13671763 CDNWOACSZLCKML-HNNXBMFYSA-N 378.469 2.729 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)N2CCCCC2)cc1 14161310 SLOKZUVKLWYSAF-LPHOPBHVSA-N 399.491 2.750 0 40 GFAB CCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccc(Cl)cc1 14607689 ISRIPJOYRNWSSN-UHFFFAOYSA-N 385.855 2.788 0 40 GFAB O=C(OCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCC2)cc1 14621276 NDYDOVKPEOQVPS-UHFFFAOYSA-N 385.445 2.704 0 40 GFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(Cl)cc2)CC1 16780697 RAWISAMOAPPFOI-UHFFFAOYSA-N 394.880 2.622 0 40 GFAB CCCCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccccc2c1=O 18095790 VUUWDMSGGFGKHT-GASCZTMLSA-N 389.521 2.925 0 40 GFAB Cc1ccnn1C[C@@H](C)c1cc(O)n2ncc(C(=O)Nc3ccccc3)c2n1 19238374 BVLLDMPRUZHTJB-CYBMUJFWSA-N 376.420 2.996 0 40 GFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)n1 19572944 DNBZVSRIYBPITH-FXAWDEMLSA-N 396.539 2.983 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 20110939 HRRPNBYQBLXPBK-GOSISDBHSA-N 393.484 2.706 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20713608 HHMUYZFESZUEIV-OAQYLSRUSA-N 393.443 2.840 0 40 GFAB O=C(CN1CCN(Cc2nc(-c3ccccc3)no2)CC1)Nc1cccc(F)c1 20802976 GEHQLPGJMOBZKG-UHFFFAOYSA-N 395.438 2.632 0 40 GFAB NC(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1 21222260 NWIRDMXESBSIQX-UHFFFAOYSA-N 384.395 2.737 0 40 GFAB COc1ccc(CNC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)cc1 21360804 BMINPBIZVVGKTR-HNNXBMFYSA-N 384.480 2.725 0 40 GFAB COc1cccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccc(C)cc3C)C2=O)c1 24087121 WYQHRXYBYDUMFB-JTSKRJEESA-N 398.459 2.519 0 40 GFAB CSc1ncccc1C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 24705146 RDYREKKYNDKRHE-LBPRGKRZSA-N 382.449 2.847 0 40 GFAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 25436634 LJQMTFWGNXMGHH-SFHVURJKSA-N 396.487 2.975 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC(N3CCCCC3)CC2)c1 26439344 NBTRRYGPHFDJBM-INIZCTEOSA-N 375.513 2.981 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30259924 GUIIPJZCSKRXES-KRXBUXKQSA-N 397.406 2.944 0 40 GFAB O=C(CCc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 30877259 YDDZAMIZAOMAGM-UHFFFAOYSA-N 392.908 2.806 0 40 GFAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC(CCc2ccccc2)CC1 32470456 LGENYQUEXJJAPM-UHFFFAOYSA-N 382.508 2.643 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 32603843 KQHBSPOMAVTMIW-UHFFFAOYSA-N 393.896 2.674 0 40 GFAB Cc1ccnc2nc(C(=O)OCC(=O)N3CC[C@@H](C)Sc4ccccc43)nn12 32876727 AFGCQGUFHDJGOA-CYBMUJFWSA-N 397.460 2.507 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc2ccccc2c1 33015084 QATNOJQUTDVXBD-SFHVURJKSA-N 389.455 2.948 0 40 GFAB CCCCOc1ccc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc2c1 36638924 ZPRXJAMNQGMEKU-UHFFFAOYSA-N 390.505 2.905 0 40 GFAB NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)ncn3-c2ccccc2)n1 36709150 VIQIZPRRYOAOJU-UHFFFAOYSA-N 377.429 2.762 0 40 GFAB COc1ccc(-n2nnc(C(=O)NCCCOC(C)C)c2-c2cccnc2)cc1 38487963 DBOUNLKQCORTFQ-UHFFFAOYSA-N 395.463 2.883 0 40 GFAB O=C(NCC1(N2CCCCC2)CCCCC1)[C@H]1CCCN(c2cnccn2)C1 40071340 FHLYRQKBARUEOO-IBGZPJMESA-N 385.556 2.998 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cnn(-c2ccc(Cl)cc2)c1 44486857 HROMFHADDJQIKH-UHFFFAOYSA-N 397.866 2.687 0 40 GFAB Cc1c(F)cc(C(N)=O)cc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 44752431 UZWGUIWZRNNQQW-LBPRGKRZSA-N 379.432 2.819 0 40 GFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 44839176 DUOIFWWKFYRLFB-HNNXBMFYSA-N 376.478 2.556 0 40 GFAB O=C(O)c1ccc2c(=O)[nH]c3c(-c4ccc(Br)cc4)nnn3c2c1 45918709 WUBSXZZEXUMMGW-UHFFFAOYSA-N 385.177 2.699 0 40 GFAB CCOC(=O)c1cn2c(nc1=O)N(c1ccccc1)CN(Cc1ccccc1)C2 54672176 XJBKVSIQBRCCCG-UHFFFAOYSA-N 390.443 2.989 0 40 GFAB COc1cc(OC)nc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)n1 57568293 QOFMRGGSIGQOSO-NSHDSACASA-N 387.465 2.735 0 40 GFAB NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)CCC(=O)c1ccccc1 58341870 BIUWGGFSLQAQJQ-LJQANCHMSA-N 379.460 2.738 0 40 GFAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O 64987623 XPHPSQVWKSEBNE-UHFFFAOYSA-N 378.432 2.716 0 40 GFAB CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 67492888 WALKWOVHBVXROG-GOSISDBHSA-N 399.878 2.872 0 40 GFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc(Br)s1 72276869 UVLUXSYAYOYARO-ZJUUUORDSA-N 376.320 2.656 0 40 GFAB COc1nc(NCCNC(=O)c2ccccc2Cl)ncc1Br 72312193 NQYZSFSSHSYBFB-UHFFFAOYSA-N 385.649 2.743 0 40 GFAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)COC)C1 72391305 PLLCXWDEQGCEGU-QHCPKHFHSA-N 395.503 2.682 0 40 GFAB CCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72392989 QXPPRCXQTMPMKM-QGZVFWFLSA-N 376.464 2.564 0 40 GFAB Cc1cc2c(cc1CN1CCC[C@H](c3ncccc3S(C)(=O)=O)C1)OCO2 72394271 NUSAQDLBVJXWGH-HNNXBMFYSA-N 388.489 2.902 0 40 GFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCc2ccccc21 77200873 XPRHRZYJBLVVNK-QGZVFWFLSA-N 385.407 2.959 0 40 GFAB Cn1cc(CCNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cn1 84318397 WSODDZWIQDFGHV-FQEVSTJZSA-N 375.428 2.847 0 40 GFAB Cc1nnc2n1C[C@H](C(=O)N(C)CCCc1cc(-c3ccccc3)n(C)n1)CC2 89740832 YQCDDFOUYITJSR-GOSISDBHSA-N 392.507 2.641 0 40 GFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 96182412 GMCSBRPFHAIXSM-IFMALSPDSA-N 377.488 2.863 0 40 GFAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100767748 GCWSGQPKIODBTC-SOUVJXGZSA-N 387.432 2.876 0 40 GFAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(F)cc2)cc1 100980150 HNVIFFAQTNUKSF-UFYCRDLUSA-N 379.435 2.924 0 40 GFAB COc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1cc2c(cc1Cl)OCO2 101404830 DXRUHIGGKYKETJ-SFHVURJKSA-N 388.807 2.801 0 40 GFAB Cc1nc(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)oc1C 119400567 MREVESONHKWLCW-UHFFFAOYSA-N 388.427 2.980 0 40 GFAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ncnc4sccc34)CC2)[C@@H]1C 127547847 OQVMJADRHSWPEA-INMHGKMJSA-N 387.553 2.754 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1C 222736165 NRIAHAZELSOVRO-CYBMUJFWSA-N 391.445 2.592 0 40 GFAB COc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222760001 GVGOJQCUOBLBRU-UHFFFAOYSA-N 398.484 2.931 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 224260836 AWMGQOXRZYMYOZ-YRGRVCCFSA-N 392.506 2.566 0 40 GFAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 224834201 KQCHAYHDUHQYOX-UHFFFAOYSA-N 397.836 2.700 0 40 GFAB CSc1ccc(CCC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1 238813791 AYKAHNYEXPWQMQ-QZTJIDSGSA-N 384.501 2.503 0 40 GFAB O=C(CN1CCC(N2CCc3ccccc3C2=O)CC1)Nc1ccccc1F 257249937 JKIMEZYDAMOCPA-UHFFFAOYSA-N 381.451 2.927 0 40 GFAB COc1ncccc1C(=O)N1CC[C@H](Cc2cncc(-c3c(C)noc3C)n2)C1 257289079 PWXCJVZWESGQMW-OAHLLOKOSA-N 393.447 2.857 0 40 GFAB NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)C4CCCC4)CCO3)n2)c1 257289165 PXGYGNVNLZFWLI-HXUWFJFHSA-N 379.460 2.938 0 40 GFAB CCOc1ncccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 257318897 VPWONSULVWBENL-SHTZXODSSA-N 380.452 2.622 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 408601742 GYBTWMXQTFSJJW-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB Cn1ncnc1[C@@H]1COCCN1C(=O)Nc1c(Cl)ccc2c1OC(C)(C)C2 574932352 PZSJFWGMCVVBAG-ZDUSSCGKSA-N 391.859 2.787 0 40 GFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1=O 575606048 ABDSLVIKFRMULH-UHFFFAOYSA-N 394.806 2.793 0 40 GFAB O=C(c1cccc(F)c1)N1CCC2(CCCCCn3cc(nn3)CNC2=O)CC1 643565048 RNMASPKGVRHUSH-UHFFFAOYSA-N 399.470 2.530 0 40 GFAB O=C(C/C=C/c1ccc(Br)cc1)NCCN1C(=O)CCCC1=O 1618296086 PWQSEDPPJGBVEV-HNQUOIGGSA-N 379.254 2.508 0 40 GFAB CC[C@@H]1CN(C(=O)NCc2ccccc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594754 RXZIZWKJQBBAJN-KZNAEPCWSA-N 381.467 2.556 0 40 GFAB Cc1cc(C)nc(N2CCC(COc3cc(-n4nc(C)cc4C)ncn3)CC2)n1 1775971120 WESOWHXFYBCORG-UHFFFAOYSA-N 393.495 2.981 0 40 GFAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc1 1775971752 UIZZMCSPCLUWIH-ZDUSSCGKSA-N 383.420 2.543 0 40 GFAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc(OC)c1OC 909956 FMMCXLJMWMFGDU-OAHLLOKOSA-N 378.425 2.682 0 40 GFAB NC(=O)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583238 IFPYYXWHARILPJ-INIZCTEOSA-N 386.429 2.790 0 40 GFAB OCCNCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 2639059 DCRTVBZPBYLGBP-UHFFFAOYSA-N 375.885 2.657 0 40 GFAB CCc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)s1 2652750 LXXAMZBXBCSWMZ-CQSZACIVSA-N 382.445 2.899 0 40 GFAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CNCCCO 2680225 CKNFPHZTPCIFOR-UHFFFAOYSA-N 376.478 2.811 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 3453793 GGZVLTBWJDMXDA-SFHVURJKSA-N 376.478 2.988 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCCC[C@H]1C 3583471 PIGMKYOBKOJELR-CYBMUJFWSA-N 382.302 2.687 0 40 GFAB COc1ccccc1C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 4032794 OETISNCDKHPPNB-UHFFFAOYSA-N 382.416 2.526 0 40 GFAB C[C@]12CC[C@@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 4082251 JPIDFRQBAGAXJM-NEGIYQJQSA-N 386.488 2.703 0 40 GFAB biogenic CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)n2nc(CCCO)nc2N1 4189383 LLHUOVRFVMSQTG-LJQANCHMSA-N 390.447 2.526 0 40 GFAB O=C(NCCn1ccc2ccccc21)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4272686 WNCOSDVJOVNBJU-QGZVFWFLSA-N 380.423 2.885 0 40 GFAB CCNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccc(Br)o1 4652724 BYHCUSHYEAGIQY-JLHYYAGUSA-N 393.237 2.958 0 40 GFAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccccc1C 5018350 UYEIQAYBOJLGCR-CQSZACIVSA-N 390.490 2.728 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1C 5025419 ACMDZDGXADWBNV-INIZCTEOSA-N 393.530 2.960 0 40 GFAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)NC1CCCCC1 5152791 QPBANESAMOFORN-IBGZPJMESA-N 381.476 2.949 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H](Cc1cc(OC)ccc1OC)c1nn[nH]n1 5444725 CVJZAYNPJWZYME-HNNXBMFYSA-N 397.435 2.581 0 40 GFAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 5579548 HIVQQPABDKLREM-KPKJPENVSA-N 380.429 2.929 0 40 GFAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(F)c1 6113788 PGZILNXAEJXSEM-LLVKDONJSA-N 375.352 2.790 0 40 GFAB CCCCOC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCCC 6173420 WDDODCIJXMBBHV-UHFFFAOYSA-N 399.538 2.919 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 6876162 SQZPTDCRFOKMFM-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 7423093 JYRDTQHNIBOGEN-UHFFFAOYSA-N 381.461 2.727 0 40 GFAB Cc1c(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 7813811 BXMSSKHUHJQJIV-AWEZNQCLSA-N 395.415 2.619 0 40 GFAB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1nnc(C)s1 8474594 XNUJLSIVBFNPFP-UHFFFAOYSA-N 390.465 2.700 0 40 GFAB CCN(CCCNC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccccc1 8777945 MODRQISDZWLMCO-UHFFFAOYSA-N 378.476 2.509 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(OC)c(O)c3)C2)cc1 9260763 UFTPANPSHHWNDV-MRXNPFEDSA-N 376.434 2.520 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCSc2ccccc21 9365763 VEEATJYLHUIDHB-HNNXBMFYSA-N 387.505 2.985 0 40 GFAB CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2F)c(-n2nc(C)cc2C)n1 9623185 OZHJGWXWBGVTIG-UHFFFAOYSA-N 387.390 2.525 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cc3ccc(F)cc3)n2)cc1 9844366 FZDLHWDJQGFBPN-UHFFFAOYSA-N 395.434 2.807 0 40 GFAB Cc1cc(C)cc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1 9844487 ATJLTFAPBHDSES-UHFFFAOYSA-N 383.473 2.506 0 40 GFAB CS(=O)(=O)NCCc1ccc(C2=NN=C(Nc3ccccc3)SC2)cc1 11116936 FXASSMZSZRYLHQ-UHFFFAOYSA-N 388.518 2.697 0 40 GFAB COc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)cc1Cl 11659705 VHXQVUIYSWSGPR-UHFFFAOYSA-N 384.841 2.981 0 40 GFAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2CCS(=O)(=O)C2)sc1C 12228285 NRMIDJWTQOWAEW-ZIAGYGMSSA-N 384.548 2.656 0 40 GFAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCCc2ccccc2)C3)cc1 12346341 UKBZDBKOSXZCAZ-HXUWFJFHSA-N 377.444 2.778 0 40 GFAB CCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 12528622 PFWBJRJGJHTSCB-UHFFFAOYSA-N 391.493 2.599 0 40 GFAB Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccccc4F)cc3)nn12 12651746 GVXXYXPPUJDVAY-UHFFFAOYSA-N 397.435 2.996 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)ccc21 12777188 XRZHLGQIWYZRGZ-UHFFFAOYSA-N 379.395 2.876 0 40 GFAB Cc1cc(=O)c(C(=O)N[C@H]2CCOc3ccccc32)nn1-c1ccccc1F 12777388 VESGGIRVZIYXGJ-INIZCTEOSA-N 379.391 2.934 0 40 GFAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1Br 12797009 ZVSWIWAQKYYJQO-LBPRGKRZSA-N 388.265 2.980 0 40 GFAB Cc1c(C(=O)OCc2cn3cc(Cl)ccc3n2)sc2ncn(C)c(=O)c12 12801159 KNUABBKAYINXNO-UHFFFAOYSA-N 388.836 2.962 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13583235 UHBWVKXYFRGBHW-UHFFFAOYSA-N 390.461 2.674 0 40 GFAB Cc1ccc(C(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1C 13854730 WBBDOZQBHNJJDW-UHFFFAOYSA-N 379.460 2.812 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CN1CCc2ccccc2C1)c1ccc(F)cc1 14084820 SZNFQUKJWNFEMW-NRFANRHFSA-N 378.451 2.823 0 40 GFAB COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 14245453 OXYHBLFMXRABCW-ZDUSSCGKSA-N 395.411 2.810 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1 16188366 ASLNGHFSLPOIAQ-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB S=C(Nc1ccccc1)N[C@H]1OCCO[C@H]1NC(=S)Nc1ccccc1 16489856 MFZYZWHTLRFNKW-IYBDPMFKSA-N 388.518 2.659 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 17521478 ZJVDFYMHYCBADC-AWEZNQCLSA-N 380.857 2.746 0 40 GFAB CCCCC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2OC)n1N 18410478 KTQZBRGWGILLMT-ZDUSSCGKSA-N 377.514 2.845 0 40 GFAB C[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1 19080243 ACZNJOWTDHNDEX-HNNXBMFYSA-N 396.520 2.669 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)N2CCCN32)c1 19166928 UNMMMMJFQWOLTJ-QYZOEREBSA-N 397.862 2.884 0 40 GFAB COc1ccc(NC(=O)N[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20112887 ZQCUFIJYYAMHOE-IBGZPJMESA-N 385.420 2.741 0 40 GFAB biogenic CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)n2ncnc2N1CCC(C)C 20674202 MIUAVSPZKVVEDJ-FQEVSTJZSA-N 395.507 2.866 0 40 GFAB O=C(Nc1nc2ccccc2s1)C1CCN(c2ccc3nncn3n2)CC1 20720077 IKMSIKBMWZTZTA-UHFFFAOYSA-N 379.449 2.589 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 24528358 PMFRANYBMUKNAW-UHFFFAOYSA-N 389.809 2.875 0 40 GFAB CN1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 25180784 GGNBNGSPYHFLTR-UHFFFAOYSA-N 386.308 2.645 0 40 GFAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 26407084 ULMORPWJYUZHIC-OAHLLOKOSA-N 382.416 2.619 0 40 GFAB CS(=O)(=O)Nc1cccc(C(=O)NCCNc2nc3ccccc3s2)c1 29799116 WAJYOQPYHLZJAP-UHFFFAOYSA-N 390.490 2.510 0 40 GFAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 30129570 VWPLEYGZEYMUIL-CQSZACIVSA-N 376.453 2.935 0 40 GFAB COCCN(Cc1ccccc1)C(=O)CCn1cnc2c(C)cccc2c1=O 31482852 INHYJPSVCVUCOP-UHFFFAOYSA-N 379.460 2.770 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1COc2ccccc2O1)N1CCCC1 33028212 RLWLGKXRQRMDJF-UTKZUKDTSA-N 382.460 2.788 0 40 GFAB O=C(NCCCn1ccnc1)c1cc2cc(Br)ccc2oc1=O 36627528 WIVRHHQXEDFKMW-UHFFFAOYSA-N 376.210 2.572 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)c2cccnc2OCC(F)(F)F)ccn1 40115751 BOEOJCXYOZTPON-UHFFFAOYSA-N 391.353 2.842 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40120102 PGEVGACDFOIBCC-UHFFFAOYSA-N 379.416 2.552 0 40 GFAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccc2nsnc2c1 44002019 HKMGBJSOMZVRLN-GQCTYLIASA-N 396.472 2.966 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 44761926 BODCWRYIGPAMPG-CYBMUJFWSA-N 391.445 2.592 0 40 GFAB COc1ccc(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1OC 47318166 KRZNYJHBCAFJHC-UHFFFAOYSA-N 379.416 2.944 0 40 GFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCC1(c2ccccc2C)CCOCC1 58209778 FWDGAUCTUFMVAZ-IRXDYDNUSA-N 375.513 2.646 0 40 GFAB COc1cc2c(cc1OC)CN(CCCc1nnnn1-c1ccccc1)CC2 58210017 AUAMQTZMXGBKNT-UHFFFAOYSA-N 379.464 2.670 0 40 GFAB NC(=O)COc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1 58215550 RSVPCYHBZFKUAK-UHFFFAOYSA-N 375.222 2.516 0 40 GFAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 58216695 KMXFZWLMRZVEDN-GOSISDBHSA-N 375.787 2.885 0 40 GFAB COc1ccc(NC(=O)Cn2c(-c3ccc(OC)cc3)nc(C)cc2=O)cc1 67198548 GMHBQJXPXFHCEV-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 72363080 RQCQLERGJNXPCZ-MRXNPFEDSA-N 393.447 2.880 0 40 GFAB CCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393142 MZSCICDZGHYUNV-KRWDZBQOSA-N 376.464 2.564 0 40 GFAB COc1cccc(-c2cnc([C@@H]3CCCN3CCN3C(=O)NC(C)(C)C3=O)[nH]2)c1 79058813 UZRDMMMTPUDLDN-KRWDZBQOSA-N 397.479 2.553 0 40 GFAB CNC(=O)COc1ccc(CN2CCN(C)c3ccc(Cl)cc32)cc1OC 95468659 FKXBFCGVWXTXIY-UHFFFAOYSA-N 389.883 2.930 0 40 GFAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3[nH]nc4c3CCCC4)no2)cn1 96001895 OADLUZSPQZDNRW-INIZCTEOSA-N 395.467 2.830 0 40 GFAB CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(OC)cc2)CN(C)C(=O)C1 96113428 SOOVWFBYKIYBLN-RTBURBONSA-N 389.540 2.670 0 40 GFAB biogenic,in-vitro CC(C)c1nc2ccccc2n1CCNC(=O)C1(n2cnnn2)CCCCC1 96231870 YHAPJKZBXMTCNK-UHFFFAOYSA-N 381.484 2.622 0 40 GFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)c4noc5c4CCCC5)C3)cc2n1 100138044 DWXDAQJNJWIPFN-ZDUSSCGKSA-N 381.436 2.630 0 40 GFAB Cc1c(-c2cccs2)nn2c(O)c3c(nc12)CN(C(=O)Cc1ccccn1)C3 100215470 BFNKOMSRADUUJO-UHFFFAOYSA-N 391.456 2.952 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 101387101 WVJALADLVGMNOZ-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc4oc(=O)n(C)c4c3)C2)cc1 102294590 WDVYNKRNIOWNIM-INIZCTEOSA-N 393.443 2.931 0 40 GFAB CCCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 113933000 QGGIEMSEDMGODD-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccccc1Cl 207982712 FBMOIQGXAQLYFC-UHFFFAOYSA-N 395.916 2.987 0 40 GFAB CSc1cccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 220058855 RDYZKKZDOHNRJL-UHFFFAOYSA-N 378.519 2.533 0 40 GFAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCO)c1ccccc1 223549466 DPOPSYXCZXAGLS-OAQYLSRUSA-N 384.476 2.674 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C)cc1 224422701 OCJQTXRXRKFCDC-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2C)ccc1Cl 225132422 MBMKQSXPCQDXFA-UHFFFAOYSA-N 383.853 2.792 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225413933 APVAQUYRUPYDOJ-QGZVFWFLSA-N 388.489 2.935 0 40 GFAB Cc1nc2ccccn2c1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225735722 YTHIVENHPYYVFN-UHFFFAOYSA-N 390.491 2.710 0 40 GFAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)C(=O)c1c[nH]c2ccccc12 225808806 RVWFEMUAAVBNTG-UHFFFAOYSA-N 387.321 2.729 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(CN)C(=O)O)cc1 242538962 JJYMCHHCEJXEPQ-NUJGCVRESA-N 379.865 2.618 0 40 GFAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCc3csc(C)n3)cc2NC1=O 252489334 JOKYMBFYDVALEN-INIZCTEOSA-N 395.506 2.820 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 257209583 BQYUHZUHVUXXHE-INIZCTEOSA-N 385.449 2.751 0 40 GFAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)ccnc12 257302956 SFDKYEFTHRQPHG-KRWDZBQOSA-N 395.438 2.524 0 40 GFAB CCN1CCN(CC(=O)NC)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257319667 VTNMKSNDMVSGBC-OAQYLSRUSA-N 393.531 2.731 0 40 GFAB C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(-n3cnnn3)cc2)C1 562582118 APGXOUYDCPPNOS-KRWDZBQOSA-N 391.479 2.648 0 40 GFAB O=C([C@@H]1CCc2nnnn2CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 565897389 HERBZNPYMPURHH-CQSZACIVSA-N 382.443 2.652 0 40 GFAB Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccn2c(C)cnc2c1 570738196 ZHSYWSURMOQHBU-UHFFFAOYSA-N 378.432 2.676 0 40 GFAB COc1ccnc(N2CCN([C@@H](C(=O)O)c3cccc(Cl)c3Cl)CC2)n1 572728332 KRJOURLKDWYGSO-OAHLLOKOSA-N 397.262 2.740 0 40 GFAB CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 573466830 SXLOUXHSPPFYHD-QXAKKESOSA-N 385.464 2.586 0 40 GFAB CN(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)cn1 585082782 GLLJDQPCRQDQOI-OAHLLOKOSA-N 379.457 2.519 0 40 GFAB Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 585397559 UMENJVPXEXDWEL-INIZCTEOSA-N 395.912 2.692 0 40 GFAB O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1coc(CO)c1 635419370 TWRDLXUACMOWLJ-UHFFFAOYSA-N 392.459 2.741 0 40 GFAB O=C(C/C=C/Cc1ccccc1)N1CCC(S(=O)(=O)N2CCCC2)CC1 635899810 QXMQSHJZOWJIIU-SNAWJCMRSA-N 376.522 2.592 0 40 GFAB O=C(O)COc1ccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 659756700 QECWOCOQDIOQTK-QGZVFWFLSA-N 383.400 2.899 0 40 GFAB CN(C(=O)c1ccsc1)[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 1615057541 FLKPLTLBKSLUIK-OAHLLOKOSA-N 386.473 2.896 0 40 GFAB O=C(c1cnccn1)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888906220 IKDWFFMAVZTNRA-CQSZACIVSA-N 379.395 2.614 0 40 GFAB CN(C)c1ccc(N2CCN(Cc3cccc(Br)c3)CC2)nn1 1889130380 DDIAZYIHGGMWEK-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)c4ncc(F)cc4F)C3)C2)n1 2056223759 DTGHYVGJJOXXEX-FQEVSTJZSA-N 387.434 2.981 0 40 GFAB CCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2157840 BTCASKWFHPAYAI-DOMZBBRYSA-N 387.432 2.727 0 40 GFAB biogenic O=C(O)CSCc1nc(OCC(F)(F)F)cc(OCC(F)(F)F)n1 2525739 BDOQCTSTUDEDMK-UHFFFAOYSA-N 380.266 2.677 0 40 GFAB NC(=O)C1CCN(c2nc(CN3CCCCC3)nc3sc4c(c23)CCC4)CC1 2660608 NKNDAAGKDOWUAO-UHFFFAOYSA-N 399.564 2.868 0 40 GFAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 2806744 DKMIIGDPZFVTKS-MRXNPFEDSA-N 378.425 2.636 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 3515729 MWMWFASTTPZIJX-SSDOTTSWSA-N 394.063 2.825 0 40 GFAB COc1ccc(-c2nnc3s/c(=C\c4ccc(F)cc4)c(=O)n23)cc1OC 3648091 DVOGVICQXANNBM-SXGWCWSVSA-N 383.404 2.522 0 40 GFAB COc1cccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)c1 4317742 AGKCEIOVQMSNMN-QGZVFWFLSA-N 390.461 2.823 0 40 GFAB O=C(COc1ccccc1N1C[C@H](C(=O)O)CC1=O)Nc1ccc(Cl)cc1 4573404 VTEBNADQXPDJHA-GFCCVEGCSA-N 388.807 2.795 0 40 GFAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nnc(-c2cccs2)o1 5185593 XOZRGUSMHSYBLY-SNVBAGLBSA-N 382.401 2.882 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1)OCC3 5346597 JZRHSJKXOHJEHO-OAQYLSRUSA-N 387.439 2.825 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccccc1 5681096 JFOXJCWBTGJMRY-RNODOKPDSA-N 383.473 2.709 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)c2c(F)cccc2Cl)sc2c1CCC2 5872213 ZJSIDPIWEDQDFC-UHFFFAOYSA-N 396.827 2.924 0 40 GFAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 6592129 HQKYHAPYSFIFIF-UHFFFAOYSA-N 382.526 2.711 0 40 GFAB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1cccc(Cl)c1Cl 6861718 RIKGTYZWXDQWHL-UHFFFAOYSA-N 384.194 2.826 0 40 GFAB Cc1c(NS(=O)(=O)c2ccc(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C 7052120 FYHCRCCSONUBAT-UHFFFAOYSA-N 397.378 2.703 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O 7814336 YXDJKGPVLGCITG-UHFFFAOYSA-N 386.496 2.883 0 40 GFAB C[C@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc(S(N)(=O)=O)cc1 8038749 GDOSYSBYCCGOGT-ZDUSSCGKSA-N 390.530 2.792 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)Cc2c(C)noc2C)n1 8392844 BQGZKDWECGZXBL-UHFFFAOYSA-N 382.424 2.651 0 40 GFAB COc1ccc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 8480661 HUBIYPPUXYPWJO-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 8667869 FPJCBCPUIVSXKP-OAHLLOKOSA-N 381.480 2.649 0 40 GFAB CCCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)s1 8754587 FDRRTROMEQKQFS-UHFFFAOYSA-N 394.522 2.964 0 40 GFAB CCOc1ccc(CN(C)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 8777126 ZLVCPAJMUCXOQR-UHFFFAOYSA-N 388.489 2.897 0 40 GFAB C[C@H](NC(=O)CNC(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 9156578 BXBUYUOZAZRPFV-NSHDSACASA-N 388.374 2.772 0 40 GFAB Cc1occc1C(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9446155 BUIGBFQBEZLGFF-UHFFFAOYSA-N 375.384 2.728 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(F)cc4)cnc32)cc1C 10252028 OHEGGSVXFLKAFG-UHFFFAOYSA-N 377.379 2.722 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)no1 12029073 TXYUYPVYHNERDD-INIZCTEOSA-N 377.466 2.898 0 40 GFAB Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCCCC1 12239287 ILEIFNNAOFXNKE-GOSISDBHSA-N 376.526 2.624 0 40 GFAB CCOC(=O)Cn1/c(=N\C(=O)c2cc(C)no2)sc2cc(Cl)ccc21 12422502 IVEXGQVQKUXZPS-FBMGVBCBSA-N 379.825 2.957 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccccc1F 12751640 AMODKIADTSNJKT-UHFFFAOYSA-N 393.484 2.653 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 12901990 DPLKXLWDKHBZRR-UHFFFAOYSA-N 376.453 2.929 0 40 GFAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 12907634 GVALAOINLMVKKL-UHFFFAOYSA-N 386.473 2.602 0 40 GFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCc2ccccc21 13003780 INZTUMTZJSURSK-MJGOQNOKSA-N 397.500 2.553 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCC(=O)N(CC)Cc2cccs2)cc1 13004414 UZPLPPDJHAAMEY-UHFFFAOYSA-N 396.534 2.864 0 40 GFAB Cc1cccc(CCCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 13649119 YNVLGJSVVKPVJP-UHFFFAOYSA-N 396.459 2.788 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccn2)N1Cc1ccccc1 13720173 MHCMAUUHNZQCLM-TZIWHRDSSA-N 380.469 2.931 0 40 GFAB Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 14180954 BTXYFMSNHCSPHP-UHFFFAOYSA-N 396.310 2.663 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)cc1 14239940 VNWHMPABXOSJAD-UHFFFAOYSA-N 398.887 2.994 0 40 GFAB O=C(CNC(=O)C(=O)NC1CCCC1)Nc1ccccc1Sc1ccccc1 14242865 KINVXLYXCVUUCG-UHFFFAOYSA-N 397.500 2.951 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)C1 14607432 YIEFTPDPRPLHBN-VQIMIIECSA-N 380.444 2.747 0 40 GFAB O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 17178860 RHYXUYLTIMTWKP-UHFFFAOYSA-N 383.492 2.722 0 40 GFAB Cc1ccc(CN2C(=O)C[C@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 17877422 MLJOPXSOFRHQJB-FQEVSTJZSA-N 381.451 2.584 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c(C)c1C 18013522 APKIIHGYAAWYFJ-XIKOKIGWSA-N 378.538 2.718 0 40 GFAB COc1ccc(CN2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC 19239174 TXOSSLDRUXFTOW-OAHLLOKOSA-N 381.436 2.842 0 40 GFAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccc(O)cc2)CC1 19291270 NYRUXLGQQXLZPU-OAQYLSRUSA-N 396.466 2.669 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 19374208 KRHQWZDRELGAPB-HSZRJFAPSA-N 378.472 2.779 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@H](C)CCc1ccc(F)cc1)C2=O 19496107 KDXXDUOKVIYSRM-PDSXEYIOSA-N 389.471 2.764 0 40 GFAB C[C@H]1Cc2cc(C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)ccc2O1 19498000 JUAASXXFACKPAE-AWEZNQCLSA-N 389.459 2.858 0 40 GFAB CCCC(=O)N1CCO[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19501475 FUSYDDKRAAORHH-HSZRJFAPSA-N 395.503 2.777 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)n1 19572941 DNBZVSRIYBPITH-XLIONFOSSA-N 396.539 2.983 0 40 GFAB CC(=O)N[C@@]12CCN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]1CN(C(C)=O)C2 19713082 NMYJSXWKXKPCBY-DNQXCXABSA-N 391.515 2.913 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20108010 GLZAOHBCMFRRLD-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1C 20801245 LLOGGXDSZYYIBL-WOJBJXKFSA-N 391.471 2.760 0 40 GFAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1C 21023765 XZTOVPZGSOXDOH-UHFFFAOYSA-N 391.406 2.953 0 40 GFAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1 22181975 DLCKEDCNWOHDPR-UHFFFAOYSA-N 381.354 2.747 0 40 GFAB CCOc1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1 22389225 XIBBPWAWNBKZTO-UHFFFAOYSA-N 380.510 2.858 0 40 GFAB NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 24668598 HMUWFPQBQMCIJU-AWEZNQCLSA-N 378.432 2.745 0 40 GFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3nn(-c4ccccc4)cc3OC)cc12 25016544 JBVXHAXNFYXTKT-UHFFFAOYSA-N 391.387 2.796 0 40 GFAB CNC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 25202607 WMDNBHBVUBGTED-UHFFFAOYSA-N 382.851 2.728 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2C)cc1 25218260 DHSXKNAQWBGNDL-HNNXBMFYSA-N 376.478 2.502 0 40 GFAB O=S(=O)(NCc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 25657344 LDWXDAJSFQGMFX-UHFFFAOYSA-N 376.459 2.936 0 40 GFAB COc1ccc(CCNC(=O)c2cc(I)ccc2O)cc1 28198104 FQXCKINYJPSUTL-UHFFFAOYSA-N 397.212 2.978 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CCC1=C(C)NS(=O)(=O)N=C1C 29634319 QMHVLKJGCJISST-UHFFFAOYSA-N 385.873 2.959 0 40 GFAB Cc1cccc(C)c1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 30096314 GHXOHDTYADQWAQ-UHFFFAOYSA-N 382.460 2.755 0 40 GFAB CCOc1ccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1 30754395 TYIXZDANBYJYDM-UHFFFAOYSA-N 390.505 2.818 0 40 GFAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC(C)C)c2)cc1F 32845597 PCOLTKADIHJNHT-UHFFFAOYSA-N 378.469 2.998 0 40 GFAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1cccc(CN(C)C)c1 33089432 QJDQSMCLXDWWHO-NRFANRHFSA-N 396.535 2.888 0 40 GFAB CC(C)c1ccc2nc3sc(C(=O)Nc4c[nH]c(=O)[nH]c4=O)c(N)c3cc2c1 35311067 JQSAFPUOUUHDHM-UHFFFAOYSA-N 395.444 2.784 0 40 GFAB CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)sc2c1 35597504 IJWAKCQHPJXRSM-UHFFFAOYSA-N 395.462 2.791 0 40 GFAB CCCCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 36112547 JNGIRDRUJLVHFE-UHFFFAOYSA-N 381.542 2.847 0 40 GFAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@H]1c1nnc2ccccn12 47304541 IMMCDBCKCYTYRN-CYBMUJFWSA-N 391.460 2.929 0 40 GFAB Cc1cc2ncn(C[C@@H](O)CN3CCN(Cc4ccccc4)CC3)c2cc1C 51086214 GFSRYRKEFXKCRO-NRFANRHFSA-N 378.520 2.832 0 40 GFAB Cc1cc(C)cc(OCCSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 58228562 QDOWIYGYUFMNBD-CQSZACIVSA-N 382.507 2.835 0 40 GFAB O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 58244737 OIYZEGKNNJHCKP-IBGZPJMESA-N 375.428 2.861 0 40 GFAB O=C1OCCN1c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 58370899 OGJHFGXWILWIND-SJORKVTESA-N 376.478 2.770 0 40 GFAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(F)cc2C)c1=O 64604839 QMKRCUDHCRVWFF-UHFFFAOYSA-N 394.406 2.955 0 40 GFAB CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O 64987524 DYHHLPFQVFGTCN-UHFFFAOYSA-N 378.432 2.635 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C2CC2)o1 68413763 QQZDIISLPHFERF-ISRKAEAISA-N 385.464 2.662 0 40 GFAB COc1cc(Cl)ccc1C(=O)NS(=O)(=O)N1CCCc2ccccc21 72063503 PFKKPYAROBVBTO-UHFFFAOYSA-N 380.853 2.776 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@H](O)C(F)(F)F 72288841 IHISSILHHJSEJQ-STQMWFEESA-N 380.794 2.524 0 40 GFAB C[C@H](CC(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)n1cncn1 72335518 CHNMSSYSMGWNGS-CYBMUJFWSA-N 383.477 2.960 0 40 GFAB CC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccnc4)CC3)cc2NC1=O 72339698 WRBHYFMXIFMHDN-GOSISDBHSA-N 393.443 2.926 0 40 GFAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)CC(C)C)CCO1 72389008 MAJCACRQZBMRJB-HSZRJFAPSA-N 395.503 2.681 0 40 GFAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)(C)C 78820529 DXXZOPQBLONRCP-SJLPKXTDSA-N 388.508 2.860 0 40 GFAB CC(C)n1nc(O)c2c(-c3ccc(F)c(F)c3F)c3c(nc21)[nH]c(=O)n3C 79485693 DJBZVZWHZJEIOX-UHFFFAOYSA-N 377.326 2.982 0 40 GFAB CC1(C)CCc2[nH]c(=O)c(C(=O)Nc3ccn(CCc4ccncc4)n3)cc2C1 84673593 GLWCNCMCKOPGFL-UHFFFAOYSA-N 391.475 2.976 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(c3ccc(O)cc3)CC2)c1 89518852 OFWZWTJVYAWGDH-OAHLLOKOSA-N 385.464 2.559 0 40 GFAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc(C(N)=O)cs1 89559544 QPBFJIQDXUFDBR-UHFFFAOYSA-N 376.438 2.989 0 40 GFAB COc1ccc(CCc2n[nH]c(NC(=O)c3nn(C)c4ccccc34)n2)cc1 95472150 RKVHHXLILDQFQS-UHFFFAOYSA-N 376.420 2.738 0 40 GFAB O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 95993135 YCDDOPKUGYVPBU-SNVBAGLBSA-N 394.332 2.823 0 40 GFAB O=C(Nc1cnn(-c2nccs2)c1)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 95993271 GJMCSEDTOHHNMQ-SECBINFHSA-N 382.371 2.745 0 40 GFAB CCCc1cc2c(cc1NC(=O)[C@@H](C)N1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)OCO2 100774845 WNCMUSLFDLBVFA-XXJNHTBESA-N 396.443 2.502 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(Br)c3)no2)C1 109474603 HWRJINCFRUGDOS-LLVKDONJSA-N 386.271 2.638 0 40 GFAB CC(=O)c1cccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1 223347706 XTSOGQZLQXKLDT-UHFFFAOYSA-N 380.809 2.788 0 40 GFAB CN(c1ccc(C(=O)NCCOc2ccccc2Cl)cc1)S(C)(=O)=O 223860554 LHPRHXIOIIMDJX-UHFFFAOYSA-N 382.869 2.545 0 40 GFAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 225017591 VEBBYTGKWGKYDG-UHFFFAOYSA-N 376.478 2.949 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(Cl)c2)cc1F 225110200 NBCYOIBPLRWUDQ-UHFFFAOYSA-N 391.779 2.907 0 40 GFAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(S(C)(=O)=O)cc1 225609129 XALRYNXGCGNAJQ-QGZVFWFLSA-N 385.482 2.967 0 40 GFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(CO)C(=O)O)cc1 242687808 UWFYGLGCIPEKSP-NUJGCVRESA-N 380.849 2.651 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccco1)c1cccc(Cl)c1Cl 244541128 ZYQNLSDLXQYHIA-UHFFFAOYSA-N 377.249 2.669 0 40 GFAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(Br)c1O 257297078 RFSLLVRQZMUGDB-BFYDXBDKSA-N 392.249 2.855 0 40 GFAB CC(C)(C)n1cc(CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)nn1 364587447 CRLLPSXHJHHJSU-HNNXBMFYSA-N 397.401 2.605 0 40 GFAB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)CCOCC1CC1 506867307 ZGCZSUQOPFKHTA-OAHLLOKOSA-N 389.418 2.779 0 40 GFAB O=S(=O)(Cc1noc2ccccc12)NC[C@H](c1ccsc1)n1cccn1 575614217 PRYPNYQMXGUAHC-MRXNPFEDSA-N 388.474 2.795 0 40 GFAB C[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)c1ccc(-c2ccncc2)cc1 583118584 XCJGEFLTTKMJPY-HNNXBMFYSA-N 389.459 2.671 0 40 GFAB Cc1ccc(CS(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1C 585083816 WPTLZWVPFSLEOS-KRWDZBQOSA-N 394.443 2.807 0 40 GFAB OCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc4ccccc34)C2)cc1 585267866 KUAIHNAOMRXFLJ-GMAHTHKFSA-N 379.456 2.835 0 40 GFAB Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCCCCC3)C2)ccc1F 585282705 NBABSQRTGNPWJB-NRFANRHFSA-N 381.488 2.662 0 40 GFAB Cc1cc(OC[C@@]2(CC(N)=O)CN(C(=O)C3CCCC3)CCO2)ccc1Cl 585287395 VVPPVKPHHARSIU-HXUWFJFHSA-N 394.899 2.690 0 40 GFAB CCc1noc(C)c1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615118712 CZTKGISSBTXGJW-QFIPXVFZSA-N 397.475 2.974 0 40 GFAB O=S(=O)(Cc1noc2ccccc12)NC[C@]1(O)CCCc2sccc21 1889214361 JYGLPVMPEZOKIK-QGZVFWFLSA-N 378.475 2.533 0 40 GFAB O=C([C@@H]1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCC(F)(F)CC1 2086929630 DQOCVHHPCBXOSO-LBPRGKRZSA-N 380.222 2.851 0 40 GFAB CN1CCC(N2C[C@H]3C[C@H](O)[C@@H](n4ccnc4-c4ccccc4)C[C@H]3C2)CC1 2332242883 XKDUFNIIMMIZMI-MXNKGDRCSA-N 380.536 2.888 0 40 GFAB COc1cc2nc(-c3ccc(N4C(=O)CCC4=O)cc3)oc(=O)c2cc1OC 857585 IKIIABANMVSKED-UHFFFAOYSA-N 380.356 2.526 0 40 GFAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1 1104222 UMCYOOCHIBUCBB-UHFFFAOYSA-N 395.419 2.979 0 40 GFAB Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)n1N 1906733 YNVSZGRYYGCWSJ-UHFFFAOYSA-N 394.913 2.732 0 40 GFAB O=S(=O)(c1cccc(-c2cn3cc(Cl)ccc3n2)c1)N1CCOCC1 2402965 UVORGQQQNGAPST-UHFFFAOYSA-N 377.853 2.676 0 40 GFAB Cc1cccc(C(=O)NC2=NN3C(=NC(=O)C[C@@H]3c3ccc(Cl)cc3)N2)c1 2407973 XBFRYHAJLIDDJG-OAHLLOKOSA-N 381.823 2.582 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1c(OC)cccc1OC 2634511 HNAIESRUZRPIHU-UHFFFAOYSA-N 389.404 2.865 0 40 GFAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1 3262106 TTZBHAYERHGURK-UHFFFAOYSA-N 380.356 2.547 0 40 GFAB CCOC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc2c1CCC2 3285376 KJXVYARGHRMQEO-UHFFFAOYSA-N 376.459 2.975 0 40 GFAB O=C(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)s1 3358285 WVBNYMRGOLXHSS-UHFFFAOYSA-N 380.853 2.942 0 40 GFAB O=C1CSc2ccc(C(=O)OCC(=O)N3CCCc4ccccc43)cc2N1 3364765 LIRCXSFMGUNAFH-UHFFFAOYSA-N 382.441 2.867 0 40 GFAB CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(OC)cc2)cc1 3402198 OECURXXSAUJFNS-UHFFFAOYSA-N 384.461 2.919 0 40 GFAB CC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 3453796 GGZVLTBWJDMXDA-GOSISDBHSA-N 376.478 2.988 0 40 GFAB O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(Br)cc1 4941270 SCAAXVFGJQYUFM-CYBMUJFWSA-N 390.299 2.803 0 40 GFAB COc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(C)cc23)C1=O 5274581 DZPPHJJXECWPPS-SFHVURJKSA-N 377.444 2.949 0 40 GFAB O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccs2)c1 5652256 CNNHHMMFIMBFCX-UHFFFAOYSA-N 398.487 2.620 0 40 GFAB O=C(CSc1nnnn1-c1cccc(F)c1)NCc1cccc(Cl)c1 5796798 PJDREQCUOWEKJY-UHFFFAOYSA-N 377.832 2.863 0 40 GFAB Cc1ccc(Nc2nc3nonc3nc2NNC2=Nc3ccccc3C2=O)cc1 5798855 QHAHSNMALSOEAE-UHFFFAOYSA-N 386.375 2.908 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)NCCCc1ccccc1 5854977 DRINQLJADCNOKE-UHFFFAOYSA-N 399.443 2.569 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1 6282184 VZNJJFWHQGFIAB-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB COc1ccccc1CCNC(=O)CSCC(=O)Nc1ccccc1F 6559627 VSBCLJYWKFZLCP-UHFFFAOYSA-N 376.453 2.865 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OCC 7495524 YRHIXOKBRBCEBZ-UHFFFAOYSA-N 390.505 2.995 0 40 GFAB CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 7505444 UKCFBRIYBVKCMI-UHFFFAOYSA-N 382.507 2.690 0 40 GFAB COc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccc(Cl)cc1 7602504 UYDUEXKZPQCYBW-UHFFFAOYSA-N 395.250 2.893 0 40 GFAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790325 MGQQOZTYGQFPBM-SNVBAGLBSA-N 384.465 2.698 0 40 GFAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccco2)c2cccnc2)cc1 8026817 OSRBWUULPNEXLH-SFHVURJKSA-N 386.429 2.628 0 40 GFAB Cc1ccc(-n2c(CCC(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)cc1 8328442 SWEAVDSUTWTTRP-GOSISDBHSA-N 391.471 2.922 0 40 GFAB O=C(CSc1nnc2ccccn12)NCCc1ccccc1OC(F)F 8745927 SKVNBCKURRLPLS-UHFFFAOYSA-N 378.404 2.782 0 40 GFAB CCOC(=O)c1ccoc1CSc1ccc(S(=O)(=O)N2CCCC2)cn1 8747169 LCXLPNVNFWRECL-UHFFFAOYSA-N 396.490 2.928 0 40 GFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(OC)ccc3OC)n2)cc1 8917586 NLMBRONPAIXHFO-UHFFFAOYSA-N 395.415 2.901 0 40 GFAB COc1ccc([C@H](NC(=O)CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1 8943248 ZVGHBIXNGBWVMQ-HXUWFJFHSA-N 378.428 2.949 0 40 GFAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N[C@H]1CCS(=O)(=O)C1 9156293 LOOCNBLWXUHUQF-SCZZXKLOSA-N 390.939 2.734 0 40 GFAB Nc1nccnc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10308560 MFPFYOQLMULJKM-UHFFFAOYSA-N 388.406 2.981 0 40 GFAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2cc3c(cc2s1)OCO3 10619625 RNWOAEPGNDELFU-UHFFFAOYSA-N 390.442 2.579 0 40 GFAB CCc1ccc2nc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)sc2c1 11806592 MLQUBHFCKKLULM-UHFFFAOYSA-N 380.429 2.501 0 40 GFAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)c5cc[nH]n5)CC4)c(=O)c23)C1 12116282 CPGYNNVEKVVPCO-GFCCVEGCSA-N 397.504 2.783 0 40 GFAB O=C(Cc1ccccn1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12117458 OTXPUGAVBBJAGL-INIZCTEOSA-N 380.473 2.773 0 40 GFAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 12227663 XHAMJWABBDPEEX-UKRRQHHQSA-N 375.519 2.924 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)cc2n1 12276468 AAVYAVBUWGZORF-QGZVFWFLSA-N 395.463 2.670 0 40 GFAB O=C(NCCC(=O)N1CCN(c2ccccc2O)CC1)c1ccc(Cl)cc1 12522096 FNXSPAHGIOABCG-UHFFFAOYSA-N 387.867 2.514 0 40 GFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)N3CCCCCC3)cs2)cc1 12628167 BCFOBNCMVMQTFA-UHFFFAOYSA-N 395.506 2.969 0 40 GFAB COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2CC(N)=O)cc1 12788271 REKTYAHMFSUNFP-UHFFFAOYSA-N 388.474 2.571 0 40 GFAB COc1cc2ccccc2cc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 12934937 LYEZMCYCTHKALZ-UHFFFAOYSA-N 382.460 2.559 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 12985076 DXYDOQQDXVUVKD-UHFFFAOYSA-N 390.798 2.806 0 40 GFAB CCC[C@@H](C)NC(=O)Cn1c(C)nc2sc(C(=O)OCC)c(C)c2c1=O 13009652 ACOYENHAHUQLMO-SNVBAGLBSA-N 379.482 2.556 0 40 GFAB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 13011459 KKNNJZZOVJDTNZ-KUHUBIRLSA-N 375.494 2.607 0 40 GFAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Br 13142267 MSGLKAUDWZWASN-AWEZNQCLSA-N 398.278 2.512 0 40 GFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccccc1 13572281 TZEDLOLPFSHVQT-CABCVRRESA-N 399.541 2.924 0 40 GFAB CC[C@@H](C(=O)NCc1ccccn1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714447 NDQUQHBSBHRZFO-INIZCTEOSA-N 381.885 2.596 0 40 GFAB COc1cc(OC)c(OC)cc1CNC(=O)C[C@H](NC(C)=O)c1cccs1 14523323 NIEYZHLKAYEJQN-AWEZNQCLSA-N 392.477 2.658 0 40 GFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(N3CCCC3=O)c(Cl)c1)CS2 14802633 BCIHGPFIRUMVHT-RDTXWAMCSA-N 393.896 2.859 0 40 GFAB Cc1cccc(OCCN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)c1 15142704 VKRIXNFKJAYAOR-UHFFFAOYSA-N 375.494 2.690 0 40 GFAB CC(C)Sc1ccc2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)n2n1 16844561 YRMIGDZVILYQQK-UHFFFAOYSA-N 395.847 2.823 0 40 GFAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 17043526 QJIFRHQJPMVQHP-NRFANRHFSA-N 399.450 2.790 0 40 GFAB COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210553 JWHVOBLPPCZCFU-KEXUJGGDSA-N 392.455 2.685 0 40 GFAB O=C(c1cccc(F)c1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19402898 MCLSVZLWUJPJMR-UHFFFAOYSA-N 378.407 2.991 0 40 GFAB in-vitro COc1cc2cc(N)c(C3CCN(C(=O)c4cncnc4)CC3)nc2cc1OC 19550985 QBRIBXFSDJHGDH-UHFFFAOYSA-N 393.447 2.644 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c(C)c1C 19556153 QQWUSNZSJIRRLC-VBKZILBWSA-N 396.539 2.949 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H]2c2nc(-c3cccnc3)no2)cc1OC 19560395 LRSJCHSGOYIQHZ-OAHLLOKOSA-N 380.404 2.665 0 40 GFAB CN(C)c1cc(CNC(=O)[C@H]2OCCc3ccccc32)nc(-c2ccncc2)n1 19584628 YOGZJJPDDRCUMZ-FQEVSTJZSA-N 389.459 2.535 0 40 GFAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCN1CCOCC1 19619021 OEUHJJNYWLRUDM-UHFFFAOYSA-N 384.542 2.518 0 40 GFAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 20041558 NAVZAFNBUHDQTH-CQSZACIVSA-N 394.468 2.868 0 40 GFAB COc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OC 20050591 DCQONPSWQWVTFE-UHFFFAOYSA-N 398.868 2.659 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245882 QZKAROZFEUUREJ-INIZCTEOSA-N 389.521 2.680 0 40 GFAB CCOc1ccc(-n2nc(CO)c(C(=O)NCc3ccccc3Cl)n2)cc1 21149173 RMQNCOJHBHERHN-UHFFFAOYSA-N 386.839 2.742 0 40 GFAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 23761273 RVKYEEBUGYTAST-IBGZPJMESA-N 380.492 2.687 0 40 GFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(O)c(Cl)c1 25685990 UFIJBNPTTBLZQC-QGZVFWFLSA-N 378.831 2.988 0 40 GFAB CCn1c(=O)n(CCC(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c2ccccc21 26292092 WARRCRMFQIFHOF-INIZCTEOSA-N 395.459 2.808 0 40 GFAB Cc1ccccc1[C@@H](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)NC(N)=O 27843539 DHZYYBCOVSDWRK-FXAWDEMLSA-N 380.492 2.737 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 32089021 GZLAGFXHVLQJEP-OAHLLOKOSA-N 395.850 2.971 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 33626902 DBCNCPOHLNQCIO-UHFFFAOYSA-N 376.906 2.712 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 36395154 XFPVDSLSAGUUEU-PBHICJAKSA-N 397.441 2.512 0 40 GFAB CCc1nc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)sc1C 36398568 NIAJTMWECPATMO-GOSISDBHSA-N 390.440 2.559 0 40 GFAB Cc1nonc1CSc1nnc(-c2cc(C3CC3)nc3c2c(C)nn3C)n1C 36612049 LXNBRKVYIMZVQH-UHFFFAOYSA-N 396.480 2.933 0 40 GFAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@@H](C)CN3CCCCC3)c12 36619087 VAHWDAKMEJRAQI-ZDUSSCGKSA-N 382.468 2.536 0 40 GFAB C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc2c(c1)CCC(=O)N2 40145452 USBJOWIGFXMBTQ-NSHDSACASA-N 381.461 2.919 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157933 ATVUWTANLDAEFU-ROUUACIJSA-N 392.496 2.544 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 43283402 RKXWIRCHRXTTOH-HIFRSBDPSA-N 388.855 2.707 0 40 GFAB COc1ccc(C)c2cc(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12 49597360 WISNZTKJYKPQOD-UHFFFAOYSA-N 390.436 2.505 0 40 GFAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(-c2ccc(F)cc2)n1 57477839 SMTUMCNCWWWKHT-UHFFFAOYSA-N 381.363 2.725 0 40 GFAB COC(=O)c1cccc(OCCN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 60086083 IPOAXAOQQLCUEU-OAQYLSRUSA-N 382.416 2.628 0 40 GFAB Cc1noc(C)c1CN1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 65682219 LDZKWBVBPMWPHZ-JOCHJYFZSA-N 396.535 2.945 0 40 GFAB COc1ccc([C@@H]2Sc3ccccc3N(CCN)C(=O)[C@@H]2OC(C)=O)cc1 65740213 ITPLTCJNLBCHHJ-MOPGFXCFSA-N 386.473 2.766 0 40 GFAB in-vitro CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 69178422 XPRJCLACMZGGQG-AWEZNQCLSA-N 379.507 2.926 0 40 GFAB Cc1cc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccncc2)on1 72342336 MERQYGPFVYMKJX-UHFFFAOYSA-N 380.452 2.636 0 40 GFAB CC(C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 72405179 YSBNCGOKNRHUOW-LBPRGKRZSA-N 387.311 2.738 0 40 GFAB C[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2N1 78404064 YHDSUBFNGITMQG-AWEZNQCLSA-N 375.469 2.693 0 40 GFAB O=C(c1ccc(-n2cncn2)c(F)c1)N(Cc1cccnc1)C[C@@H]1CCCO1 84425033 OFZDTGXHKQMDAW-KRWDZBQOSA-N 381.411 2.623 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)N2CC=C(c3cncc4ccccc34)CC2)CC1 96012874 WPTQKTNCUOCAHO-GOSISDBHSA-N 378.520 2.877 0 40 GFAB Cc1cccc2sc(NC(=O)c3cccc(OCc4nnnn4C)c3)nc12 96101353 HHJRIOYWUBBDIJ-UHFFFAOYSA-N 380.433 2.960 0 40 GFAB COc1ncccc1CN1CCC2(CC1)C[C@H](NC(=O)c1cccs1)CO2 96221245 LJEAVEOJEXVPTR-INIZCTEOSA-N 387.505 2.705 0 40 GFAB CN1CCN(CC(C)(C)CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)CC1 100763474 MDQRYZVMQQUSMX-NHCUHLMSSA-N 389.559 2.914 0 40 GFAB O=C(O)C1=C[C@@H](c2ccccc2)c2c(nc(N3CCc4ccccc43)[nH]c2=O)N1 102277092 MFLMQBVXJQWMIC-HNNXBMFYSA-N 386.411 2.990 0 40 GFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N(Cc1ccco1)Cc1cccs1 102967855 AHZKLTYTUHYROO-CALCHBBNSA-N 384.457 2.821 0 40 GFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CSCN1C(=O)c1ccccc1 107329155 PBWWVMDNMKXXHH-WOJBJXKFSA-N 395.528 2.592 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 139452990 HLMPLCZOMVUYDA-UHFFFAOYSA-N 381.841 2.922 0 40 GFAB CC[C@H](C(=O)NCCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220635662 TVMTZVKVZPLUFE-LJQANCHMSA-N 390.505 2.599 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCc2ccc(OC(C)C)cc2)C1 222614586 ONPDMBNPXUZEBX-GOSISDBHSA-N 396.553 2.584 0 40 GFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1CCCN1CCOCC1 223167877 UORXBURSLLEINS-MSOLQXFVSA-N 388.562 2.838 0 40 GFAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(Cl)cc1 224344919 LSCPNZFXJZJBRX-UHFFFAOYSA-N 395.916 2.987 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2ccc(F)c(C)c2)cc(C(=O)OC)c1 225606158 RMQZAHBOEWGQON-UHFFFAOYSA-N 381.381 2.508 0 40 GFAB Cc1ncsc1C(=O)N1CCC(C)(c2ncc(C(=O)N(C)C)s2)CC1 257220807 DMFQVPSDAHBTLF-UHFFFAOYSA-N 378.523 2.804 0 40 GFAB O=C(c1ccco1)N1C[C@H](c2nccs2)[C@@]2(CCN(CC3CCC3)C2=O)C1 306142313 WVVJXCHIRRNRKA-FOIQADDNSA-N 385.489 2.995 0 40 GFAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C1)OCC[C@H]2CCOCC1CC1 306144567 ZIXZZAGGBGWKMU-HXUWFJFHSA-N 385.504 2.988 0 40 GFAB CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1 552351153 RSCAHGQJJVRHGQ-QGZVFWFLSA-N 376.460 2.932 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NCc2ccccc2Cl)c1 575420920 LAODOIDXFLOHPL-MRXNPFEDSA-N 378.881 2.869 0 40 GFAB CO[C@@H](C)C(=O)N(Cc1cccnc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 585079647 FRTHBXYLPUHRGJ-DOTOQJQBSA-N 377.485 2.702 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cncc(Br)c3)C2)n1 585147393 VYMYEPHJZKHGHE-HNNXBMFYSA-N 391.269 2.935 0 40 GFAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4cccnc4O)C[C@@H]3C2)nc2ccccc21 1888897333 BBALFRGGVOBLRG-HZPDHXFCSA-N 391.475 2.926 0 40 GFAB CC(C)N1CCCC[C@]2(CN(C(=O)CCc3cccc(F)c3)CCO2)C1=O 2037985546 NITLCSGCNGYLKH-NRFANRHFSA-N 376.472 2.777 0 40 GFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCC3)cc2c1 782693 RLZMTSDPSCPAPV-SFHVURJKSA-N 396.495 2.854 0 40 GFAB COC(=O)[C@@](NNc1ccccc1)(NC(=O)c1cccc(C)c1)C(F)(F)F 2050356 HHVKLRLJPKLLFG-KRWDZBQOSA-N 381.354 2.773 0 40 GFAB CCCn1nc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O 2630632 VIEMESCKDOCUGF-UHFFFAOYSA-N 394.450 2.908 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)c1 3271772 BHPGZZAQPQUYPU-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O 3351827 XPPKVQFTZWYLDU-CQSZACIVSA-N 382.416 2.848 0 40 GFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccnc1Cl 3571214 OVRIEWHCWOIOMT-UHFFFAOYSA-N 390.856 2.840 0 40 GFAB O=C(CN1C(=O)CCC1=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4167573 PONYQORHVBVLHK-UHFFFAOYSA-N 381.413 2.756 0 40 GFAB COc1ccc(CCNC(=O)CSc2ccc(-c3cccnc3)nn2)cc1 4392095 OZEDKYQUMKGPHU-UHFFFAOYSA-N 380.473 2.998 0 40 GFAB biogenic CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OC 4694739 NOHDLVGUZKXGPV-KPKJPENVSA-N 385.825 2.957 0 40 GFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)cc2)CC1 4739181 TYIYPQHQYXLLQH-UHFFFAOYSA-N 397.475 2.876 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc(I)cc1 5027859 OEDCLHKPZZFZSE-CUFDPUGPSA-N 393.224 2.988 0 40 GFAB COc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2OC)cc1OC 6470355 CKNBMQFXKONFSQ-UHFFFAOYSA-N 375.421 2.702 0 40 GFAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 6514581 ZLNZRCWBLMLRRM-KEBDBYFISA-N 396.487 2.792 0 40 GFAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1 6561589 CWYZUWKCWFHBQC-UHFFFAOYSA-N 396.476 2.531 0 40 GFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(-n2cnnn2)cc1 7183541 FGUGWTPPAYUHPT-CYBMUJFWSA-N 394.460 2.870 0 40 GFAB Nc1cc(N)nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 7366968 ZCMHYFLIXJBSQX-UHFFFAOYSA-N 376.442 2.634 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccccc1Br 8783383 LDBRVLWCBWJXGS-GFCCVEGCSA-N 392.205 2.578 0 40 GFAB Fc1cccc(-n2c(SCCc3ccncc3)nnc2N2CCOCC2)c1 9157221 KJBYNFRZTQCRKE-UHFFFAOYSA-N 385.468 2.973 0 40 GFAB O=C(COc1ccccc1P(=O)(O)O)Nc1cc(Cl)cc(Cl)c1 9420372 CPVQZZLNMCVTEO-UHFFFAOYSA-N 376.132 2.814 0 40 GFAB in-vitro C[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)sc2C1 11448360 QMVFNFHFXALFQP-LLVKDONJSA-N 391.518 2.842 0 40 GFAB CCn1c2cc(C)oc2c2cnn(CC(=O)c3ccc4c(c3)OCCO4)c(=O)c21 12183662 WMANFEQOEUHJAA-UHFFFAOYSA-N 393.399 2.927 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCC(n3nnc4c(O)nc(C5CC5)nc43)CC2)c1 12336935 GNZDUCHFVHHBRH-UHFFFAOYSA-N 392.463 2.898 0 40 GFAB Cc1cccnc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 12526833 LKDJUFARMNFIFD-JOCHJYFZSA-N 388.427 2.949 0 40 GFAB C[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CC1 12548728 OLYNOYCYSASVPH-LBPRGKRZSA-N 377.441 2.706 0 40 GFAB CC(=O)c1cccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 12555584 YEOYXNSTBKULJJ-IBGZPJMESA-N 386.473 2.521 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2C)cc1NC(C)=O 12757368 LSKQHCFOWLVUCD-UHFFFAOYSA-N 391.449 2.721 0 40 GFAB CCCOc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC 12790750 VIBWXPDMGXONGR-UHFFFAOYSA-N 381.432 2.993 0 40 GFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2F)c1 12919750 ZYPVFGWGKPFGPE-SFHVURJKSA-N 386.423 2.936 0 40 GFAB Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13041583 GEFWPZDQYPUCIM-UHFFFAOYSA-N 388.489 2.667 0 40 GFAB FC(F)(F)c1nnc2ccc(NC[C@H](c3cccs3)N3CCOCC3)nn12 14713161 PYNWMDDSHVVPFP-LLVKDONJSA-N 398.414 2.690 0 40 GFAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19236043 LFBDPYHAELTWKF-SFHVURJKSA-N 394.519 2.866 0 40 GFAB CCCNc1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)s1 19284324 XGGXHQXBSKGRMB-UHFFFAOYSA-N 395.529 2.940 0 40 GFAB O=c1cc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)nc(-c2cnccn2)[nH]1 19292728 HNXVKPWXSKOVAW-CYBMUJFWSA-N 383.402 2.885 0 40 GFAB CCn1c(=O)n(CC)c2cc(NC(=O)COc3ccc4nsnc4c3)ccc21 19524243 IHWYLUWMEYAQSI-UHFFFAOYSA-N 397.460 2.865 0 40 GFAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 19588954 LROMGFURBLJGFW-SFHVURJKSA-N 394.475 2.603 0 40 GFAB Cc1nc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)NCC4CC4)cn3)C2)cs1 19705554 COUBSOAOYKGEFW-QGZVFWFLSA-N 398.532 2.935 0 40 GFAB COc1cccc([C@@H]2CN(C(=O)c3ccncc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 19712853 VIXAVRNFZSTDTP-ZVDOUQERSA-N 379.460 2.757 0 40 GFAB Cc1cccc(C)c1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19809754 CEDFFLACKOBPCO-FQEVSTJZSA-N 398.503 2.590 0 40 GFAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccccc1 20105660 OFVHINBZDIQJFY-QGZVFWFLSA-N 393.484 2.706 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1F 20801552 ZTHHZNBQGXVEJT-RBUKOAKNSA-N 395.434 2.590 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 20977990 PEMQQTPQOLSESK-UHFFFAOYSA-N 395.488 2.969 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1C 23107842 MDEZOBWBUULBEG-QGZVFWFLSA-N 380.535 2.717 0 40 GFAB C[C@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 24282863 HKBAGSCGGLUCEM-LLVKDONJSA-N 383.791 2.716 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 24480721 YIQYCEWJQXYKAB-UHFFFAOYSA-N 395.381 2.994 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(CNC(N)=O)cc2)cc1OC 25615809 JNELNDSYCUJLFZ-QGZVFWFLSA-N 383.448 2.849 0 40 GFAB COC(=O)c1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)s1 29929348 SYHOFJIKFZFJLS-MRXNPFEDSA-N 388.489 2.646 0 40 GFAB O=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)c1ccc2ccccc2n1 30663003 DSBARBZFXDLDJR-UHFFFAOYSA-N 382.383 2.909 0 40 GFAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCC[C@@H]4C(N)=O)c(C)c3cc12 32123928 ULHYQNKZPPXBOL-QGZVFWFLSA-N 396.443 2.873 0 40 GFAB biogenic O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC(c2ccccc2)CC1 32366525 QVZGFPNTXCCYHB-UHFFFAOYSA-N 377.444 2.758 0 40 GFAB CC(C)n1c(=O)[nH]c2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc2c1=O 33219206 XMHXTFQXKHVKND-INIZCTEOSA-N 379.416 2.524 0 40 GFAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 36395156 XFPVDSLSAGUUEU-RHSMWYFYSA-N 397.441 2.512 0 40 GFAB CCOc1ccccc1N1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 36634034 JREGZNGXKAZGEU-FQEVSTJZSA-N 393.487 2.535 0 40 GFAB COc1ccc(-c2nc(CC(=O)OCc3nnc(C)o3)cs2)cc1OC 39576319 RIJPKMSFPKOWNU-UHFFFAOYSA-N 375.406 2.805 0 40 GFAB CN(C)C(=O)c1ccccc1NC(=O)CCc1nc(Cc2ccccc2)no1 40133570 MDTAEBVIMFUTGV-UHFFFAOYSA-N 378.432 2.934 0 40 GFAB Cc1csc(=O)n1CCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 40145502 XUECDWYJPPAZOG-ZIAGYGMSSA-N 393.484 3.000 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 40160797 HIIMXWLAELYPTL-YXBWYFRISA-N 386.492 2.642 0 40 GFAB COc1cccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)c1 57525835 OBJVZLGXMHAPEK-UHFFFAOYSA-N 395.459 2.857 0 40 GFAB CCNC(=O)C1(NC(=O)CCc2nc(-c3cccs3)no2)CCCCC1 58209784 JJYYFTOPOCSXMS-UHFFFAOYSA-N 376.482 2.686 0 40 GFAB O=C(NCc1ccco1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985330 KSHMEGNOXTXHOV-LJQANCHMSA-N 398.440 2.552 0 40 GFAB COc1ccccc1C1(CNC(=O)CCc2c(C)nc(C)[nH]c2=O)CCCC1 65140233 QFTQZWCQLOILBH-UHFFFAOYSA-N 383.492 2.956 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3C)cc1 68381585 GAPCIJFAFFSLON-UHFFFAOYSA-N 387.505 2.548 0 40 GFAB CSc1ccccc1CN1CCCN(C)CCN(C)CCCN(C)CC1 68604339 CLYIGDZTTTUXDJ-UHFFFAOYSA-N 378.630 2.800 0 40 GFAB biogenic Cc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)sc2nc(C(F)(F)F)ccc12 69351343 AUVXSNMEPRBGTA-VIFPVBQESA-N 392.424 2.788 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](O)(c1ccccc1)C1CC1 70968055 NZWMPGZNFVIBTQ-FQEVSTJZSA-N 375.490 2.888 0 40 GFAB Cc1cc(NC[C@H]2COc3ccccc3O2)n2nc(-c3nccn3C)cc2n1 72338493 AFCPVJAVSRTBLJ-AWEZNQCLSA-N 376.420 2.690 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@](C)(O)c3ccccc3)n(C)n2)c1 77200972 WXJCRBOOCNMJGW-QFIPXVFZSA-N 395.459 2.742 0 40 GFAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 78877891 WLEYBPBGPHOKOV-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB O=C(NCc1nc2c(s1)CCCC2)c1ccc(=O)n(-c2ccc(F)cc2)n1 78975625 GKVLEIIAHCJEBD-UHFFFAOYSA-N 384.436 2.637 0 40 GFAB CN1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)Cc2ccccc21 83881711 MDBMSGVUIZVCSB-UHFFFAOYSA-N 376.460 2.644 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cc(OC)ccc3OC)C2)c1 89469715 HMKACIKKJAEBGW-SFHVURJKSA-N 390.461 2.823 0 40 GFAB Cc1nc2ccc(NC(=O)C(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)cc2o1 95461214 VZLBTYJSKUEKEV-HOCLYGCPSA-N 383.404 2.782 0 40 GFAB CCc1nnc([C@H](C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)o1 95957538 HRFHESPNKROGHI-ZDUSSCGKSA-N 378.860 2.570 0 40 GFAB Cc1c([C@@H](C)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)nnn1-c1ccc(F)cc1 95996193 ASLHZULZYOICOS-CZUORRHYSA-N 399.445 2.849 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)CCCc1nnc3ccccn13)CC2 96115404 CQOJVQOQMMAKGL-UHFFFAOYSA-N 380.448 2.654 0 40 GFAB biogenic CCCn1[nH]cc/c1=N\C(=O)CN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 101960313 MQEGNYVPZBZUCY-SMKFHGBISA-N 386.496 2.635 0 40 GFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 102351884 KHYKJAGXWMEGEX-DKKFBQAASA-N 388.895 2.897 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220329736 BMHNRUYRIQFEMN-AWEZNQCLSA-N 392.477 2.805 0 40 GFAB O=C(NCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1)OCc1ccccc1 220756078 DTRPUVNDSIGOCD-INIZCTEOSA-N 398.463 2.655 0 40 GFAB CN(c1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)cc1)S(C)(=O)=O 222890602 YJFPRJUZCLEAEV-UHFFFAOYSA-N 390.505 2.599 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C 224008441 ZKVOWZJLSLAILK-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1Cl 224139727 RSDAQYFNXIQSPY-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB Cc1cccc(OCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 224624894 OMYLDDHPWQBNRZ-UHFFFAOYSA-N 390.505 2.736 0 40 GFAB CC(=O)c1ccccc1C(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 225733892 FEZRLRSYNBBWPJ-UHFFFAOYSA-N 392.381 2.969 0 40 GFAB COc1ccc(Cl)cc1NC(=O)c1sc(NS(C)(=O)=O)nc1C 225878201 VVIMSRJETDNNCB-UHFFFAOYSA-N 375.859 2.737 0 40 GFAB COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2C)NS(C)(=O)=O)cc1 225955274 WYOIEQMKRZMBKQ-SFHVURJKSA-N 376.478 2.931 0 40 GFAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408529766 JGROFOCEOYWATE-OAHLLOKOSA-N 388.489 2.732 0 40 GFAB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCC(N)=O 408553695 AWQHBEXJFFGJSL-GOSISDBHSA-N 392.864 2.991 0 40 GFAB COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CCCc2ccc3nc(O)[nH]c3c2)c1 504114138 ASWNRVKRKHEOKW-JXFKEZNVSA-N 395.459 2.934 0 40 GFAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1c[nH]c2ccc(F)cc12 524734846 DJCNVGUZMBZTJV-UHFFFAOYSA-N 384.459 2.993 0 40 GFAB Cc1cc(=O)c(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)c[nH]1 561614811 MWLNNNIKAOUEER-UHFFFAOYSA-N 378.831 2.998 0 40 GFAB COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)cc1 575612555 BDBDCEBBKCJOHW-SFHVURJKSA-N 391.518 2.705 0 40 GFAB C[C@H]1CN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C2(CCC2)CO1 649823526 HMDMMOAJTWCVPV-INIZCTEOSA-N 383.492 2.928 0 40 GFAB Cc1cc(-c2ccc(C(F)(F)F)cc2CO)ccc1N1CC(=O)NCC1=O 665211112 JDTWHFWZLBRCER-UHFFFAOYSA-N 378.350 2.636 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848745352 DOWBTQIDOCVTEV-UHFFFAOYSA-N 396.422 2.953 0 40 GFAB Cc1ccncc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037988935 OCSSBRZXVLJQMI-NRFANRHFSA-N 383.423 2.567 0 40 GFAB Cc1ccc(Cn2cnc(NS(=O)(=O)c3c(C)nn(C(F)F)c3C)n2)cc1 2803921 FIGLJCZZOPUKMJ-UHFFFAOYSA-N 396.423 2.644 0 40 GFAB COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)N(C)C)cc1 3349197 QISJIEBCLNZWBE-AWEZNQCLSA-N 388.411 2.694 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCCC2)C1=O 3595225 IJWIDJSBFJBVMO-KRWDZBQOSA-N 384.263 2.773 0 40 GFAB CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)Nc3cccc(F)c3)c(=O)n1C2 4258956 BVLGEXISUZLPTM-UONOGXRCSA-N 384.411 2.597 0 40 GFAB biogenic,in-vitro CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(C)s1 4892340 IQFOZRHHLRPOTE-JTQLQIEISA-N 387.461 2.918 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1C 5075410 YYLILFXZYCWZHI-UHFFFAOYSA-N 380.491 2.644 0 40 GFAB CCCOc1c(Br)cc(/C=C2/NC(=S)NC2=O)cc1OCC 5708141 JMPYRSSUJVZKAV-YRNVUSSQSA-N 385.283 2.982 0 40 GFAB COc1ccc2c(c1N(CCO)CCO)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 6235581 XXRXISZRSUUGHE-GNVZTASGSA-N 387.520 2.911 0 40 GFAB COc1ccc(CCNC(=O)COCc2cc(-c3ccco3)on2)cc1OC 6876633 VGXYLTRQVWSUFR-UHFFFAOYSA-N 386.404 2.827 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1F 7190605 VCNRPZISDLLESD-GFCCVEGCSA-N 397.497 2.899 0 40 GFAB Cc1csc(SCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)n1 7195559 HHIROYSNZAUCKX-AWEZNQCLSA-N 380.516 2.888 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 7637753 CTEPZCXHZJKGFF-UHFFFAOYSA-N 393.509 2.837 0 40 GFAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 7776291 PCUOQUYYFYLZIK-CQSZACIVSA-N 386.521 2.868 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CCC3)cc1 8869336 AGIADZBLVQXLTJ-HNNXBMFYSA-N 391.518 2.732 0 40 GFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Cn3cccn3)cc2)c1 9906086 IZBZFUKGZNWHQA-UHFFFAOYSA-N 389.459 2.883 0 40 GFAB Cc1cccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)c1 10255261 CVDZUOTWQGEQDE-MRXNPFEDSA-N 399.516 2.950 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1 10302643 YWENMVMTDGMSBT-MRXNPFEDSA-N 396.509 2.644 0 40 GFAB CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 10449772 JVQIBFULZPIJTR-HNNXBMFYSA-N 388.489 2.829 0 40 GFAB O=C(Cc1ccc2c(c1)CCC2)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12290976 SDZCAZWYPZNZAF-UHFFFAOYSA-N 396.506 2.957 0 40 GFAB CCCCn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2cc(S(N)(=O)=O)ccc21 12581658 SLYMGJMCQNXFDM-GASCZTMLSA-N 378.542 2.962 0 40 GFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(c1)CCC2 12757902 AYXQUMOATSHIOX-FQEVSTJZSA-N 384.501 2.890 0 40 GFAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(N2CCCS2(=O)=O)c1 12767048 BUYVVRCCRCPJRO-UHFFFAOYSA-N 388.474 2.930 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1 12767751 WKZDNIZTDZEWAV-UHFFFAOYSA-N 392.459 2.501 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C(=O)NC(C)(C)C 12786086 KOTLLLWITWCUNX-CQSZACIVSA-N 399.491 2.973 0 40 GFAB COc1cccc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 12814421 UPWCCUSLNLUGCD-VYENPZKTSA-N 385.485 2.924 0 40 GFAB CCNC(=O)COC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21 13063373 PGVJGOFKCBFKGX-UHFFFAOYSA-N 398.484 2.661 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1C 13072691 CPPIHTILVRUYOT-INIZCTEOSA-N 390.505 2.858 0 40 GFAB O=C(c1c(F)cccc1F)N1CCC[C@@H](Cn2nnc(-c3cccnc3)n2)C1 13265733 AAAPYRCOBXGSDJ-CYBMUJFWSA-N 384.390 2.566 0 40 GFAB Cn1cccc1C[C@@H]1[C@H](O)c2ccccc2S(=O)(=O)N1CCc1ccccc1 13731335 QGJDOFSWHKMZPX-IFMALSPDSA-N 396.512 2.917 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 13842999 XYNNHKOYRGGWJQ-HNNXBMFYSA-N 378.469 2.584 0 40 GFAB CCOC(=O)C1CCN(C(=O)/C(=C\c2ccc(C)cc2)n2ccccc2=O)CC1 13941962 GVKVEAYLPKORPP-CAPFRKAQSA-N 394.471 2.957 0 40 GFAB COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 15417262 JUHBOBPFXYPASO-UHFFFAOYSA-N 396.852 2.667 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 16124887 XAQZEDSQMIMOSG-UHFFFAOYSA-N 392.433 2.631 0 40 GFAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19083776 VSLKQXQKOOUGNC-INIZCTEOSA-N 382.512 2.521 0 40 GFAB O=C(c1cccnc1)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19337381 JEINYOMRMJVWKG-UHFFFAOYSA-N 381.461 2.610 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)s1 19560095 HQKXYFIDLWIVSF-HNNXBMFYSA-N 381.461 2.883 0 40 GFAB Cc1oc2c(c1C(=O)N1CCc3nc([C@H]4CCCNC4)ncc3C1)CCCC2 19581289 FCIXVGODIDTUJY-HNNXBMFYSA-N 380.492 2.922 0 40 GFAB O=C1CO[C@](c2nccs2)(C2CCN(Cc3ccccc3F)CC2)CN1 19696657 DQRWERLFBXQEEX-IBGZPJMESA-N 375.469 2.536 0 40 GFAB Cc1cc(C)cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20245046 RWIUFODWXJANBC-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(C)c1)C3 20795987 YHDLAJTXEDZSEO-CYBMUJFWSA-N 382.445 2.611 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccc(-n3cccn3)cc2)cc(C(=O)OC)c1 21796556 SVZNTTHIESEFGJ-UHFFFAOYSA-N 379.372 2.698 0 40 GFAB Cc1nc(-c2cccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)c2)cs1 21896783 FEBPPVXZGBDKOK-UHFFFAOYSA-N 379.507 2.729 0 40 GFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(F)cc1)S(C)(=O)=O 22251912 OXXVJCAPQJNXOZ-UHFFFAOYSA-N 396.440 2.881 0 40 GFAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 22402143 BPIMCPLXJYAZFD-UHFFFAOYSA-N 399.516 2.719 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccccn3)ccc21 24051470 LNQJIKUGVUIZTJ-LJQANCHMSA-N 395.440 2.594 0 40 GFAB C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccc1 26984590 MRSYTTQFTYZECV-CQSZACIVSA-N 378.519 2.953 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 32818678 LYAIMTZLIIWMKL-DENIHFKCSA-N 381.520 2.949 0 40 GFAB Cc1c(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1-c1ccccn1 32831370 RGTZRYWRDSIWIE-CYBMUJFWSA-N 375.388 2.730 0 40 GFAB O=C(NCc1nnc2n1CCC2)c1csc(COc2ccc(Cl)cc2)n1 32906580 CRRUHXMAAOHDED-UHFFFAOYSA-N 389.868 2.843 0 40 GFAB O=C(CSC(c1ccccc1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 36725350 DQDHBDVPTYUYQZ-QGZVFWFLSA-N 375.515 2.813 0 40 GFAB CN(C)[C@@H](CNC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccco1 39484802 IVVSXPWRODYIMI-IBGZPJMESA-N 379.460 2.511 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c3c(c2)OCO3)c1 39978525 VONLHZQEWQXOPY-UHFFFAOYSA-N 383.809 2.820 0 40 GFAB CN(Cc1ccccc1Cl)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 40068993 TYCFVWQALYVCKP-UHFFFAOYSA-N 392.887 2.736 0 40 GFAB NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3COc4ccccc4C3)c2)CC1 40134776 MBCGLSVCQBLPMM-LJQANCHMSA-N 393.487 2.574 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1 40144705 WHZNMNWENVDOHY-UHFFFAOYSA-N 393.447 2.747 0 40 GFAB CC(=O)NCCNC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 42883537 WJBYBPDMHQUNFM-UHFFFAOYSA-N 383.279 2.591 0 40 GFAB COC(=O)c1ccc(CCNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 46635064 IBIUYCCPLOFKIC-UHFFFAOYSA-N 380.444 2.501 0 40 GFAB COc1cc(CNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)ccc1OCCC(C)C 46724512 ORZDVKGPKIRMCK-RDJZCZTQSA-N 376.497 2.899 0 40 GFAB COCCOc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1C 47593745 AEVNUEPHBVRTIJ-UHFFFAOYSA-N 379.478 2.686 0 40 GFAB COc1cccc([C@@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)N(C)C)c1 47681734 XXLWZPKHPDCLJA-BEFIOADNSA-N 395.503 2.632 0 40 GFAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)C1 53121793 WPFWNQYXSRKMEU-LPHOPBHVSA-N 379.460 2.642 0 40 GFAB CN(CCCOc1ccc(Cl)cc1)C(=O)Cn1c(=O)cnc2ccccc21 55851723 MJQLKGMFIDNZFA-UHFFFAOYSA-N 385.851 2.977 0 40 GFAB CCOC(=O)[C@H](CNS(=O)(=O)c1ccc(F)cc1C)Cc1ccccc1 58029794 XFGUSWMBWQOQPY-INIZCTEOSA-N 379.453 2.834 0 40 GFAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)c1 71327352 YDHPYIIQTOZICD-UHFFFAOYSA-N 397.410 2.934 0 40 GFAB COCCn1ccc2c(NC(=O)c3nn(C)c(=O)c4ccccc34)cccc21 72405830 CRSIKFOSHGWDGU-UHFFFAOYSA-N 376.416 2.787 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2ccccc2Br)c(F)cc1N 89420828 NAAGNIOIFVEUIC-UHFFFAOYSA-N 397.200 2.975 0 40 GFAB COc1ccc(-n2cc(CNC(=O)C[C@H]3OCCc4ccsc43)nn2)cc1 89455511 LJQWNDSDWFACBH-QGZVFWFLSA-N 384.461 2.658 0 40 GFAB Cc1cc(C)nc(-n2nc(C)cc2NS(=O)(=O)Cc2ccc(F)cc2)n1 89600732 PYWFRNHGJPMHBQ-UHFFFAOYSA-N 375.429 2.669 0 40 GFAB C[C@@H](CC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1)c1ccc(F)cc1 89894488 RFRXSCDCTPVPPR-LPHOPBHVSA-N 376.472 2.949 0 40 GFAB CC(C)[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)c1nnc2n1CCC2 95393996 MTWBAOPCVUIWKE-SFHVURJKSA-N 381.480 2.555 0 40 GFAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cn[nH]n2)cc1 97011665 PSEBZVBPVUTPCV-UHFFFAOYSA-N 388.431 2.655 0 40 GFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4noc5c4CCCC5)C3)cc2n1 100138317 BJTUSVDNFQTCSV-ZDUSSCGKSA-N 395.463 2.884 0 40 GFAB CCOCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(OC)c1 101113755 SNTZQMYHAJPMEB-LYBHJNIJSA-N 396.447 2.898 0 40 GFAB O=c1c(CN2CCN(c3ccccc3)CC2)coc(O)c1CN1CCCCC1 101410600 KMDFNRLLHOFYRR-UHFFFAOYSA-N 383.492 2.654 0 40 GFAB CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1c1cnc2cnc3[nH]ccc3n12 222083035 WYQFJHHDOKWSHR-GHMZBOCLSA-N 380.374 2.908 0 40 GFAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223128602 WTBSVULHMNFJOQ-UXHICEINSA-N 399.564 2.769 0 40 GFAB COc1ncccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 225725218 IPJZSJRUZWFZBZ-UHFFFAOYSA-N 395.385 2.606 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2cc(C)ccc2OC)NS(C)(=O)=O)cc1 225956327 RIBAINZKYBMXRO-MRXNPFEDSA-N 392.477 2.631 0 40 GFAB COC(=O)c1cnc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)s1 244947627 DTVBPHRXCJDZOB-UHFFFAOYSA-N 397.840 2.788 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2cn(C)cn2)C1 257257833 KRGUBKPUSLCEAD-MRXNPFEDSA-N 395.511 2.928 0 40 GFAB O=C(O)CCCCCN(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 575422832 WPWMIYGTLPJDBZ-HNNXBMFYSA-N 384.523 2.518 0 40 GFAB COc1cccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111154 GYCCEHMYQMRCIJ-FQEVSTJZSA-N 377.444 2.984 0 40 GFAB O=C(c1ccc2nc[nH]c2c1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1 585501996 GZMIIUCTWOMPDN-UHFFFAOYSA-N 377.448 2.549 0 40 GFAB O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cnc2n1CCC2 615872670 FJPQGNXXTGDLNP-ZDUSSCGKSA-N 383.402 2.716 0 40 GFAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(C)C)CC2 643581679 PZJWREDLMDSQMD-IBGZPJMESA-N 395.588 2.715 0 40 GFAB NC(=O)c1ccc(CNC(=O)N2CCC(c3ccccc3C(=O)O)CC2)cc1 666523379 YKHTYRMFETYNNC-UHFFFAOYSA-N 381.432 2.573 0 40 GFAB CN(C)S(=O)(=O)CC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 680209148 NDXTZUSOXHEEOH-SFHVURJKSA-N 392.908 2.857 0 40 GFAB COc1ccc(NC(C)=O)c(NC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)c1 1136407287 TWCSPLBSTMTBKY-GFCCVEGCSA-N 395.415 2.585 0 40 GFAB COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1ccc2c(Br)cnn2c1 1519574586 FMLZUTDWGFBURF-PXAZEXFGSA-N 394.269 2.949 0 40 GFAB COc1ccc(CC(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1 1775968311 YBOKONJICLZRFA-UHFFFAOYSA-N 383.492 2.956 0 40 GFAB CN([C@H]1CCN(c2ncnc(C3CC3)c2F)C1)S(=O)(=O)Cc1ccccc1 1888879479 MAORDBOJKJKNJM-INIZCTEOSA-N 390.484 2.534 0 40 GFAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1 3577873 PWGHRRVRMFUAFQ-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COc1cc2cc(C(=O)N[C@@H](C(=O)O)c3ccccc3)n(C)c2c(OC)c1OC 4000313 CLUZASPYXRNKIN-MRXNPFEDSA-N 398.415 2.760 0 40 GFAB biogenic CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 4087849 KMURKLYFYYTTJZ-MRVPVSSYSA-N 381.435 2.563 0 40 GFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 4863166 QMSRKXOPQMMKMS-WBVHZDCISA-N 397.818 2.637 0 40 GFAB COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCN(C)C)c(=N)c21 5349076 QLPZOIPFPSCMDP-IBGZPJMESA-N 392.459 2.924 0 40 GFAB COC(=O)CCNC(=O)C[C@H](CNC(=O)OCc1ccccc1)c1ccccc1 5510789 JJKAADRKJWLXIC-LJQANCHMSA-N 398.459 2.766 0 40 GFAB CC(C)CCNC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 5970627 GNOGBIPBQGBCKT-UHFFFAOYSA-N 375.469 2.636 0 40 GFAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1cnccn1 6486184 LRXMYSQQLJREQM-UHFFFAOYSA-N 377.422 2.634 0 40 GFAB CCCN(C(=O)c1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 6509342 JAIJCXINASQBPZ-UHFFFAOYSA-N 392.459 2.532 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 7068873 VHTLUEYSLXTFMX-INIZCTEOSA-N 377.466 2.700 0 40 GFAB Cc1ccc(OCCNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 7961855 HPXIHHKVWOEYHJ-UHFFFAOYSA-N 381.407 2.797 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCCC2)c1 8184618 CFTNYXGCIGWOAC-UHFFFAOYSA-N 377.491 2.669 0 40 GFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1O 8267980 SDNWYLNSYHNPLS-KPENOIPVSA-N 390.461 2.838 0 40 GFAB COc1ccc(-c2nc(CC(=O)NCc3nnc4ccccn34)cs2)cc1 8940603 APTFOSCWCFJTGW-UHFFFAOYSA-N 379.445 2.720 0 40 GFAB Cc1cc(C)c(C)c(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1C 10560568 LIPRVSHAYVLMEH-UHFFFAOYSA-N 385.489 2.849 0 40 GFAB Cc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1S(N)(=O)=O 11752192 HQNTWRLZQZZQKP-UHFFFAOYSA-N 378.431 2.716 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)C[C@H](NC(N)=O)c2ccccc2)c1 11940372 BMBXHAIGTBKDDM-YJBOKZPZSA-N 383.448 2.973 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 12146759 DNCGUOVDISNGFT-AWEZNQCLSA-N 382.489 2.692 0 40 GFAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NC1CCCC1 12233000 UPVRTLVPUYXQPA-HNNXBMFYSA-N 395.488 2.678 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)c3cccc(N)c3C2=O)c1 12563787 FTHOJTMONWEHHM-QGZVFWFLSA-N 381.432 2.677 0 40 GFAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cnc4ccccn4c3=O)n2)C1 12757414 HNPSHRHGKAIJML-KBPBESRZSA-N 397.504 2.881 0 40 GFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 12792009 HEHULRHMSYJYDC-LLVKDONJSA-N 381.837 2.724 0 40 GFAB COc1cc(CNC(=O)c2ccccc2N2CCCC2=O)cc(OC)c1OC 12862651 KLBNROAIPVYEAX-UHFFFAOYSA-N 384.432 2.769 0 40 GFAB CC(C)OC(=O)C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 12880053 SATWFBSUYUCMAU-MRXNPFEDSA-N 399.472 2.657 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)Cc2csc(-c3ccccn3)n2)cc1 12997142 ZHAKQADNOVGATD-UHFFFAOYSA-N 396.472 2.853 0 40 GFAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960191 FFFCLQNIVMMTCY-YVSFHVDLSA-N 385.851 2.868 0 40 GFAB COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1Br 14184603 GZHSYUABBFBALG-UHFFFAOYSA-N 376.254 2.815 0 40 GFAB CN1C(=O)c2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2C1=O 14414689 UVIUXTUYTULWTE-UHFFFAOYSA-N 376.412 2.648 0 40 GFAB O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ccc(CN2CCOCC2)cc1 15444007 CPYCANSMVKFZGL-INIZCTEOSA-N 385.430 2.732 0 40 GFAB COc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1OC 19323523 XGKIUQMSNVIOLM-UHFFFAOYSA-N 378.472 2.861 0 40 GFAB biogenic C[C@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)c2C1 19497124 IDEOWRDIRPUADZ-SUMWQHHRSA-N 381.480 2.555 0 40 GFAB COCC(=O)N1CC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 19579990 GHRNWBTWFNIIPD-HSZRJFAPSA-N 380.488 2.849 0 40 GFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)cc1 19936806 KIOZUUAHUMQLON-UHFFFAOYSA-N 390.417 2.592 0 40 GFAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)N(C)C)c1 20244877 SPIZUXSWNMBZFZ-UHFFFAOYSA-N 397.447 2.833 0 40 GFAB CN1CCN(C(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 20676743 GDIUUDMPMHGCJB-UHFFFAOYSA-N 380.473 2.676 0 40 GFAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 21564215 QTBBJYVVHGDDOI-CQSZACIVSA-N 382.445 2.709 0 40 GFAB CCOc1cc2c(cc1NC(=O)Cn1c(=O)n(C)c3ccccc31)O[C@H](C)C2 21899009 LBJXICDXXFNIJF-CYBMUJFWSA-N 381.432 2.701 0 40 GFAB CN(c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1)S(C)(=O)=O 22230871 NXKYCMSXZHTCSR-LJQANCHMSA-N 388.489 2.655 0 40 GFAB CCc1ccccc1N1C(=O)C[C@@H](N2CCc3cc(OC)c(OC)cc3C2)C1=O 22609183 IVMHWXMGOKPYMA-LJQANCHMSA-N 394.471 2.956 0 40 GFAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N1CCCc2ccccc21 22613011 MUWJKAYFBBUDEZ-HNNXBMFYSA-N 376.416 2.792 0 40 GFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 23056930 VUKOVHCNCRTGBH-OAHLLOKOSA-N 395.506 2.513 0 40 GFAB Cc1ccsc1-c1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1 23148908 VPGYVAMLQKEXQI-UHFFFAOYSA-N 376.507 2.946 0 40 GFAB CC(=O)c1cccc(OC[C@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)c1 25062126 PSOBNYQYBLXNQT-MRXNPFEDSA-N 382.416 2.758 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 26027042 BVXDKFUIZTXPDQ-UHFFFAOYSA-N 386.395 2.685 0 40 GFAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccccc4F)CC3)nc(C(C)C)nc12 28557709 GVLHNLZQCOMYKQ-UHFFFAOYSA-N 396.470 2.897 0 40 GFAB CCOC(=O)c1ccc(N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)nc1 29291790 YIADSGBKWFAARR-UHFFFAOYSA-N 395.459 2.570 0 40 GFAB Cc1nc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cs1 29550373 NNSYZHWHYWJUKE-UHFFFAOYSA-N 379.791 2.644 0 40 GFAB Cc1cc(C)n2nc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)nc2n1 30787543 PWAYUCBIKNULDM-CYBMUJFWSA-N 396.505 2.834 0 40 GFAB COc1ccc(CNC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1OC 32123950 QEMPLWYAYTXXKF-INIZCTEOSA-N 397.431 2.500 0 40 GFAB biogenic COc1ccc(OC)c([C@H](C)NC(=O)CCn2cnc3c(C)cccc3c2=O)c1 32493275 GWJWNMWAUKAXNR-HNNXBMFYSA-N 395.459 2.990 0 40 GFAB O=c1oc2cc(Br)ccc2n1CN1CCN(c2ccccn2)CC1 32923124 JMGPWXCILVSGAU-UHFFFAOYSA-N 389.253 2.532 0 40 GFAB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092941 VCHULGRMZLQLLR-IIDMSEBBSA-N 394.349 2.805 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc2c1CCCC2 35870948 MHLJQRBEWVUNDU-HSZRJFAPSA-N 389.455 2.897 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCN1C(=O)c1ccccc1O 45030559 NMMHXJGYUYRBMD-MRXNPFEDSA-N 382.416 2.797 0 40 GFAB COc1ccc(CNC(=O)Cn2c(C)nc3c(sc4ncccc43)c2=O)cc1 46153684 LZLWTVZMIOZIHA-UHFFFAOYSA-N 394.456 2.640 0 40 GFAB CCOc1ccccc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 47688994 MZNUTZARXQGDNF-UHFFFAOYSA-N 393.443 2.566 0 40 GFAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)[nH]2)cc1OC 51317199 GIACUTWRGYFDEA-UHFFFAOYSA-N 377.447 2.733 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1 57885923 WFNJXBQQXXPTGJ-HNNXBMFYSA-N 375.494 2.675 0 40 GFAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)N(C)c4ccccc4)c(=O)c3s2)C1 67226193 CNNZANOZPOYMGQ-CQSZACIVSA-N 397.504 2.752 0 40 GFAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccccc1OCC 67286790 LKAGDRPTMZOJOC-LJQANCHMSA-N 387.480 2.742 0 40 GFAB O[C@@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)C1 72340390 XTFOMWGYXVPFSW-CYBMUJFWSA-N 382.445 2.957 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1ccco1)N1CCOCC1 77200674 IVJJQDYMTBEXDK-LJQANCHMSA-N 398.438 2.623 0 40 GFAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)NCc1ccncc1 79075532 GHPKRQFRGGACJI-HIFRSBDPSA-N 378.473 2.641 0 40 GFAB O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(OCC(F)(F)F)nc1 79109594 NQIJWKWMZOLCHN-OAHLLOKOSA-N 383.370 2.897 0 40 GFAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c(OC)c1 85874992 SORMTSCRRRQNPP-QGZVFWFLSA-N 395.415 2.513 0 40 GFAB biogenic O=C(c1ccc(SC(F)F)cc1)N1CCN(C(=O)c2cccnc2)CC1 89793935 IUAYXYLZJBNJGN-UHFFFAOYSA-N 377.416 2.995 0 40 GFAB CCOc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(C)=O 96193562 DNIZXQWLQDGULW-UHFFFAOYSA-N 386.408 2.665 0 40 GFAB O=C([C@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1)N1CCOCC1 96264451 LVPTWRLWCCGHGM-OAHLLOKOSA-N 375.519 2.872 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211826 MMTBUOZOMJDMKN-QGZVFWFLSA-N 396.472 2.627 0 40 GFAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccccc2F)C3)c(OC)n1 100149431 DNBJCXMGEJKEOP-HZPDHXFCSA-N 387.455 2.753 0 40 GFAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 101176172 XJTOZJAEUQGOBW-OEMYIYORSA-N 394.439 2.769 0 40 GFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 104873009 ZZFGPSUZTGCBPF-DFEOGRTESA-N 386.492 2.517 0 40 GFAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113967179 GNXKRZNAWIPVTO-KBPBESRZSA-N 394.468 2.866 0 40 GFAB CC[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 223123771 CCIJXKPUVVRGDI-MOPGFXCFSA-N 378.538 2.804 0 40 GFAB CN1CCN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)CC1 223935397 TXFYBHRZHMHTGT-UHFFFAOYSA-N 375.929 2.973 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 225119522 KZLLFLAFINWMFU-UHFFFAOYSA-N 380.373 2.706 0 40 GFAB CC(C)[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 225218769 FKDQKBVPQAKPEW-GUYCJALGSA-N 382.526 2.672 0 40 GFAB COC(=O)[C@@H](NC(=O)c1ccc(OCC2CCOCC2)nc1)c1cccc(C)c1 253403786 QKQLCCDRGZCSBJ-FQEVSTJZSA-N 398.459 2.840 0 40 GFAB COc1cccc2cc(C(=O)NCCn3c(C)nc4sccc4c3=O)oc12 253473653 WYDPEEYFNGFKFJ-UHFFFAOYSA-N 383.429 2.951 0 40 GFAB CCN(CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596507 SBJVCDHWJCQQIQ-TUMZOIKCSA-N 399.535 2.789 0 40 GFAB COCCN1C(=O)C[C@@H](C(=O)NCCc2cccc(OC)c2)[C@@H]1c1ccccc1 257235481 GYAWLBXDJHIUOL-IRLDBZIGSA-N 396.487 2.590 0 40 GFAB CNc1cc(C(=O)N2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)ccn1 257305547 SQMNUOHYWILFPK-IBGZPJMESA-N 393.422 2.933 0 40 GFAB Cc1cccc(C(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)n1 257338314 YWWGVAASXPWXRO-CYBMUJFWSA-N 395.488 2.726 0 40 GFAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1C(C)C 260917455 DJQFXNRFSKQXMO-HOTGVXAUSA-N 396.553 2.976 0 40 GFAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc2c(c1)OCCO2 409028565 OVOHPGURBQRWIS-UHFFFAOYSA-N 379.503 2.978 0 40 GFAB Cc1csc2ncnc(N3CCN(CC(=O)N4CCc5ccccc54)CC3)c12 560814873 KWNASWWNARWNNS-UHFFFAOYSA-N 393.516 2.711 0 40 GFAB O=C(C1CC(O)C1)N1CC[C@@H](OCc2ccncc2)[C@H](Cc2ccccc2)C1 585113438 HGENJUVTTUMBKI-JYAXOCDNSA-N 380.488 2.829 0 40 GFAB CCN1CCN(C(=O)CNC)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183599 LXKNURZIWQQPRV-NRFANRHFSA-N 393.531 2.731 0 40 GFAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1c(C)cccc1F)CC2 1614938157 RUQMSSZNWUUMMI-INIZCTEOSA-N 376.472 2.871 0 40 GFAB C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 1648707303 INHURNOSCRUNPS-UYAOXDASSA-N 385.851 2.561 0 40 GFAB CC(C)(C)c1ccc(OC[C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)nn1 1888864243 YDGMYGYFKGZJAU-LBPRGKRZSA-N 395.447 2.757 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccnn3C)C[C@H]2C[C@@H]1Oc1ccccn1 2332242614 CVUPZDPRNBGLKB-YHELAOLJSA-N 392.507 2.851 0 40 GFAB O=C(c1cncn1-c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23866485 MBFIQQJFECRZGV-UHFFFAOYSA-N 390.443 2.559 0 40 GFAB CCOc1ccc(-c2nc3s/c(=C\c4ccc(OC)cc4)c(=O)n3n2)cc1 1477227 KIZNRFGHFGQFTP-ATVHPVEESA-N 379.441 2.773 0 40 GFAB COC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2C(Cc2ccc(OC)c(OC)c2)=N1 1460485 XHQJZJDCMCVSMH-KRWDZBQOSA-N 399.443 2.851 0 40 GFAB Cc1ccc(CCC2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)cc1 25580537 NLJQLQZYQUYOBE-HXUWFJFHSA-N 392.565 2.980 0 40 GFAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2F)c1 8036896 JAHURPUPCKFCDT-UHFFFAOYSA-N 379.819 2.997 0 40 GFAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(O)cc1 8373813 WHUXLOHNPIBBOP-IBGZPJMESA-N 378.428 2.996 0 40 GFAB Cn1c(=O)c2ccccc2n2c(COc3cccc(Br)c3)nnc12 12536355 WAQHGMOPEOICLS-UHFFFAOYSA-N 385.221 2.923 0 40 GFAB CCOC(=O)CCc1c(C)c2ccc(OCC(=O)OCC)c(C)c2oc1=O 2093640 PKWYYJAQVVBVHZ-UHFFFAOYSA-N 376.405 2.847 0 40 GFAB biogenic O=C(NOCc1ccccc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 10319361 FWWUABCECWBTPI-UHFFFAOYSA-N 387.395 2.541 0 40 GFAB Cc1cc(N2CCN(C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)CC2)nc(C(C)C)n1 27809780 ZOSXRBPXQCNCFH-OXJNMPFZSA-N 396.491 2.786 0 40 GFAB Cc1cc(N2CCN(C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)CC2)nc(C(C)C)n1 27809776 ZOSXRBPXQCNCFH-UZLBHIALSA-N 396.491 2.786 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21 9926479 OLFKEEJPXGEMBS-AWEZNQCLSA-N 382.811 2.824 0 40 GFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1cccs1)CC3 28059394 QUCATNCBPFSDTP-UHFFFAOYSA-N 376.459 2.763 0 40 GFAB CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1Cc2ccccc2O1 24820326 MIYGWMSMJMRPSK-MRXNPFEDSA-N 389.249 2.850 0 40 GFAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 28325494 XQVZXRIVFMITMQ-LBPRGKRZSA-N 396.818 2.791 0 40 GFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1CC(=O)N(C)C 100755745 LRFIRYODCSHPMC-RDTXWAMCSA-N 391.475 2.555 0 40 GFAB CC(C)[C@H](NC(N)=O)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 28689572 IQEWNIQBXONQPI-JTQLQIEISA-N 398.838 2.655 0 40 GFAB NC(=O)Cc1csc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)n1 11000482 ODLIMAKPKXWRHP-UHFFFAOYSA-N 394.456 2.925 0 40 GFAB C[C@@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Br)c1 59849642 YRIDDSPZZGVKOS-LLVKDONJSA-N 380.242 2.719 0 40 GFAB CCCCOC(=O)c1ccc([C@H]2N=c3ccc(N)c(Br)c3=N2)cc1 103533943 VBBCETJGUGYDAT-KRWDZBQOSA-N 388.265 2.940 0 40 GFAB COc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)cc1OC 47317982 UAIRBNJJJGBMOI-UHFFFAOYSA-N 391.323 2.620 0 40 GFAB COc1c(C)cnc(CNC(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)c1C 95993170 HFWBDOKHBKYZQX-LBPRGKRZSA-N 382.386 2.801 0 40 GFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)c(F)c1 22805154 RWVIZNQGIZRIFS-UHFFFAOYSA-N 387.430 2.656 0 40 GFAB COC(=O)Nc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1 48356577 CHNNAUVFSOWFRL-FQEVSTJZSA-N 397.475 2.865 0 40 GFAB Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1cccc(Cl)c1 3472182 GVGBGOVWZUKILB-UHFFFAOYSA-N 399.863 2.701 0 40 GFAB CCN(CC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccccc1OC 3416501 AEIPYIPOKZZHDH-UHFFFAOYSA-N 383.448 2.797 0 40 GFAB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(O)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664408 VCHULGRMZLQLLR-VKJFTORMSA-N 394.349 2.805 0 40 GFAB Cc1nn(C)c(Cl)c1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 63560786 TTYCBBNAXMNRKB-ZIAGYGMSSA-N 390.915 2.921 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4046280 YWZIKHGMOUDZQZ-WQFQCULDSA-N 392.455 2.984 0 40 GFAB biogenic CC(C)(CO)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 22059326 MFUJYZCMHDCXGQ-WSBQPABSSA-N 388.552 2.787 0 40 GFAB in-vitro O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)N1CCOCC1 6234897 TVGXPXLYZNXXBW-UHFFFAOYSA-N 377.293 2.886 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1 14201992 WENUCKPMQXWVDE-UHFFFAOYSA-N 390.530 2.769 0 40 GFAB O=C1CCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCN1 65902688 SMAUQSBLNUPDCN-UHFFFAOYSA-N 384.823 2.748 0 40 GFAB CN(Cc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6602116 OMXCNBMWRCTGRT-HNNXBMFYSA-N 384.407 2.608 0 40 GFAB COC(=O)c1ccc(CNC(=O)CN(Cc2ccco2)Cc2ccco2)cc1 7725939 LPNJLCRMNNRHFP-UHFFFAOYSA-N 382.416 2.978 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c1 7805345 RNGPWCHVFNOSHC-UHFFFAOYSA-N 397.475 2.968 0 40 GFAB CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996417 KUBMYRXNXBVKBT-CQSZACIVSA-N 385.464 2.583 0 40 GFAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c1 8268328 OFLQBOJWVGABIT-CQSZACIVSA-N 397.431 2.654 0 40 GFAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1nc2ccccc2s1 17370876 ZXSYFSVLRFKZCZ-UHFFFAOYSA-N 379.441 2.641 0 40 GFAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 69661931 QNOWFPJLSDSCOS-HNNXBMFYSA-N 376.453 2.721 0 40 GFAB COc1ccc(-c2noc(COC(=O)c3ccc(NC(N)=O)cc3)n2)c(OC)c1 17666926 NPVLZMMDDUJUHX-UHFFFAOYSA-N 398.375 2.601 0 40 GFAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1nn(C)c(=O)c2ccccc12 8768174 YOTIDOANGYFEDL-ICSRJNTNSA-N 388.471 2.690 0 40 GFAB NC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)n1 95972196 NVLLDRQOEIVDEU-UHFFFAOYSA-N 390.378 2.548 0 40 GFAB Cc1ccccc1-n1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1 8883888 ICRHYZSTUPGOFE-UHFFFAOYSA-N 378.343 2.578 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 29156404 FHNMJSQERNRLHK-HXUWFJFHSA-N 381.520 2.778 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 408703746 XZJHNPUNAXOJFF-UHFFFAOYSA-N 396.852 2.864 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(N4CCCC4)c(F)c2)[C@@H]3C1=O 36748626 ZILOSTZZASHIHE-VQQMMKBISA-N 399.466 2.555 0 40 GFAB O=C(c1ccc(S(=O)(=O)NCc2cccnc2)cc1)N1CCc2ccccc21 35290108 PJDGWOOQHYEZIK-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 408562758 BCCNWDMJFFHMRF-SJKOYZFVSA-N 384.354 2.987 0 40 GFAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980215 OXQPHGLINMCAFV-CQSZACIVSA-N 387.263 2.731 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)Cc2ccc(C)cc2C)cc1 32803080 RGCKDMHVTIAYGW-UHFFFAOYSA-N 389.521 2.732 0 40 GFAB O=C(C[C@@]1(C(=O)O)CC(c2ccc(F)cc2)=NO1)Nc1ccc(C(=O)O)cc1 72405659 CCURWMLEYRPBAA-LJQANCHMSA-N 386.335 2.501 0 40 GFAB COc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccc3ccccc23)c(OC)c1 70636250 KUPGRAADZPQNAW-IBGZPJMESA-N 394.427 2.645 0 40 GFAB Cc1ccc(N2CCN(C(=O)c3cccc(-n4nnnc4C)c3)CC2)c(C)c1 71283552 GUUOSCGXLHRWIW-UHFFFAOYSA-N 376.464 2.550 0 40 GFAB CCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1 223243664 IJHWRMGNCJMBEG-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47362915 KXESYSPGCDWLPW-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB CNC(=O)Cc1ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1 77200763 UWODQAZQQACFHR-UHFFFAOYSA-N 386.395 2.936 0 40 GFAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3ccc4c(c3)OCCO4)[C@H]2C1 96157000 SSIGNMZJAWNWDT-WFXMLNOXSA-N 378.428 2.504 0 40 GFAB CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc(Cl)c1 96519949 HBFSYNCOJRYZJA-BDAKNGLRSA-N 395.045 2.746 0 40 GFAB O=C(NCc1nccc(C(F)(F)F)n1)N1CCCN2c3ccccc3C[C@H]2C1 578845803 AUXIJSMDMZOLPA-AWEZNQCLSA-N 391.397 2.842 0 40 GFAB Cn1nc(C(=O)N2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c2ccccc21 98211870 ITVUWVSVIKFKGC-UHFFFAOYSA-N 392.488 2.987 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)c1F 244955827 GBJKJDKTZLTZQW-MRXNPFEDSA-N 391.468 2.940 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1 245229734 DWOBIUSWWAXKKO-IMBTUZDBSA-N 376.522 2.701 0 40 GFAB Cc1nn(C(F)F)c(C)c1CC(=O)NC1(c2nc(C3CC3)no2)CCOCC1 585088519 NSKBUOYPFWOXPK-UHFFFAOYSA-N 395.410 2.520 0 40 GFAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)CCCn3cccn3)C2)n1 257332761 XYNOTXGJYAVSOJ-KRWDZBQOSA-N 394.479 2.816 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)CCCc2nc3ccccc3n2C)[C@H]1O 257204377 AUGWFNOKPXTJRN-WOIUINJBSA-N 395.507 2.624 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCCCn2ccnc2C)[C@@H]1c1ccccc1Cl 257245188 IOKZBCYKYKXHLG-APWZRJJASA-N 388.899 2.961 0 40 GFAB COc1cc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc(OC)c1 36597285 KLMJHAFKLYLHQF-QGZVFWFLSA-N 383.404 2.823 0 40 GFAB biogenic CCN1CC2(CCN(C(=O)c3cccc4c3OC(F)(F)O4)CC2)[C@H]2COC[C@H]21 1615554744 YQGKMPRBUWYXPM-LSDHHAIUSA-N 394.418 2.581 0 40 GFAB CCOc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)nn1 660261693 NJSBPXSIQWWBEI-HXUWFJFHSA-N 381.480 2.858 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 90610640 QVPCFAINJRWYEB-OAHLLOKOSA-N 387.379 2.652 0 40 GFAB CCN(C(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 665857855 FXPKAZQSMPWHRK-SFHVURJKSA-N 397.500 2.983 0 40 GFAB O=C1[C@H](O)CCCCN1Cc1nc(-c2cccc(OCc3ccccc3)n2)no1 643967176 CUVNNABEIQTHJR-QGZVFWFLSA-N 394.431 2.584 0 40 GFAB Cc1c(C(=O)N2CC3(CC[C@H](CN4CCCC4=O)CO3)C2)oc2ccccc12 575403109 CXPLTBXIIVDVJO-MRXNPFEDSA-N 382.460 2.985 0 40 GFAB COc1ccc2c(c1)CCN(C(=O)Nc1c[nH]c3ccc(OC)nc3c1=O)C2 72347432 NQOKPUFEHPJTDR-UHFFFAOYSA-N 380.404 2.531 0 40 GFAB COc1ccn2c(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cnc2c1 516456928 VLLAHQRLCVVDPY-QRVBRYPASA-N 377.444 2.988 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccccc4F)nc(C)n32)s1 12115351 HSTHIQCBLUVDLK-UHFFFAOYSA-N 384.436 2.783 0 40 GFAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2oc1=O 12806339 SSJNZMKZRINYES-AWEZNQCLSA-N 380.400 2.999 0 40 GFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1C(F)(F)F 12893207 LOFHCBMNNPHJGE-UHFFFAOYSA-N 386.395 2.685 0 40 GFAB COc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3ccccc3)CC2)cc1 14327747 ZWSHVWUFRTUDMV-UHFFFAOYSA-N 391.475 2.825 0 40 GFAB CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 15348978 OHLFUTZCFQMHAA-UHFFFAOYSA-N 383.473 2.511 0 40 GFAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 15590820 LRPZNTYIJHSDNA-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB COc1ccc(CN2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)cc1 19016873 KWWHZPADSWLVPK-UHFFFAOYSA-N 380.492 2.769 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 19078787 BJYDGOBOSGTUJJ-FOIQADDNSA-N 396.491 2.604 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2ccnc3cc(C)nn23)c1 19130734 JAIRFLLOJOBSQB-KRWDZBQOSA-N 380.448 2.961 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)CCc4ccccc4)[C@H]3C2)cc1 19211727 WPUWMARQHBNYRL-GIVPXCGWSA-N 398.528 2.753 0 40 GFAB COc1ccc(-c2nnc(NC(=O)c3cnn4cc(C)cnc34)s2)cc1OC 19239354 FYLFPIXANNGJFE-UHFFFAOYSA-N 396.432 2.826 0 40 GFAB Cn1c(=O)n(C)c2cc(C(=O)N3CCC[C@H](C(=O)c4cccs4)C3)ccc21 19289786 GXYNSDXNSFVUHQ-AWEZNQCLSA-N 383.473 2.674 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1C 19571035 GCECLMVBCBZBIO-MRXNPFEDSA-N 377.444 2.799 0 40 GFAB Cc1c(C(=O)N2CCC[C@@H]2c2nnc3n2CCN(C)CC3)[nH]c2ccc(F)cc12 19710766 NCFQARNXVBHHSG-QGZVFWFLSA-N 396.470 2.672 0 40 GFAB CCc1nnc(-n2ccc3nc(C)c(C(=O)OC)c(-c4ccccc4)c3c2=O)[nH]1 19962860 KFRKYVWFTCIQNR-UHFFFAOYSA-N 389.415 2.828 0 40 GFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 7495236 VJVYNRQHPIQHAF-SFQUDFHCSA-N 394.387 2.790 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccnc1 7495274 SVPYTVOHBBDUEY-WOJGMQOQSA-N 378.432 2.894 0 40 GFAB O=C1NCCCCN(C(=O)CN2CCCC2)CCCOc2ccc(Cl)cc21 643557933 AIRXGEBNNGIONS-UHFFFAOYSA-N 393.915 2.557 0 40 GFAB COc1ccc(C2(NC(=O)c3cnc(N4CCOCC4)nc3)CCCC2)cc1 12197595 BQYLPBUFYWWXRS-UHFFFAOYSA-N 382.464 2.521 0 40 GFAB O=C(CN1C(=O)COc2c(Cl)cccc21)Nc1cccc(-n2cccn2)c1 19661092 YLZFHCDZERTNIH-UHFFFAOYSA-N 382.807 2.890 0 40 GFAB Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c1=O 6565670 QCQCFWOOPDHDKJ-UHFFFAOYSA-N 387.852 2.798 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cn1nccn1)c1ccccc1 240122527 WBQCUYRCBYFVGN-HNNXBMFYSA-N 392.868 2.660 0 40 GFAB O=C(Cc1cccc(F)c1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985621 PWCNHHSOMDHXED-JOCHJYFZSA-N 382.435 2.650 0 40 GFAB COc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037988865 LVNBICHKVUAUIO-UHFFFAOYSA-N 385.439 2.627 0 40 GFAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)N1CCCCC1 4166413 WZXYYFXIXPZOSN-UHFFFAOYSA-N 386.456 2.513 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1 13704860 KYYBWRRWUXFDSH-UHFFFAOYSA-N 398.488 2.840 0 40 GFAB COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C 16849701 RRAXAPOHDRNGFF-UHFFFAOYSA-N 395.463 2.769 0 40 GFAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(C)CC3)c(O)n2n1 22458823 FAXCOGQKPGSPLL-AWEZNQCLSA-N 377.901 2.795 0 40 GFAB Cc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)c1 22577253 FBDLAYPOMGBNCF-IBGZPJMESA-N 396.491 2.834 0 40 GFAB Cc1nc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)c2cnn(C)c2n1 1775977139 GJLVXVOEARSESO-UHFFFAOYSA-N 392.492 2.517 0 40 GFAB Cc1ccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2C[C@H]2CCCO2)cc1 101113791 CZKYWLSCMZNLLQ-KGWRKDBXSA-N 378.432 2.950 0 40 GFAB Cn1cc([C@H]2CN(C(=O)c3cccc4c3OCCO4)Cc3ccccc32)cn1 575618984 KTKNDCWETNDPFE-LJQANCHMSA-N 375.428 2.979 0 40 GFAB O=C(c1cccc(Br)c1)N1CC(c2nc(-c3ncccn3)no2)C1 49482902 JTUFHTLMIOULTI-UHFFFAOYSA-N 386.209 2.529 0 40 GFAB O=C(Nc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)[C@H]1CCCO1 30531925 FQDICZRODPMDLX-OAHLLOKOSA-N 382.388 2.883 0 40 GFAB COc1ccc(OC)c(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 30998532 SNSCUGSNNGMHDP-UHFFFAOYSA-N 387.461 2.593 0 40 GFAB CCCN1CCN([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 20441769 IQXJVRJAURXOOR-RBUKOAKNSA-N 399.988 2.957 0 40 GFAB COc1ccc(CCNC(=O)c2nc(-c3ccc(N(C)C)cc3)no2)cc1OC 20727888 KIEAXCROIZXXGM-UHFFFAOYSA-N 396.447 2.792 0 40 GFAB CN1CCC(N2CCC(NC(=O)NC[C@H]3CCCc4ccccc43)CC2)CC1 51760580 UCCQXSMVLOFKCZ-LJQANCHMSA-N 384.568 2.964 0 40 GFAB NC(=O)[C@@H]1CN(C(=O)CSCc2ccc(Cl)s2)c2ccccc2O1 32674790 BULBJLJLGFHNGW-ZDUSSCGKSA-N 382.894 2.914 0 40 GFAB Cc1ccccc1-c1noc(CCC(=O)N2CCN(c3ccccn3)CC2)n1 41184335 FEMGPGQSRWJZCV-UHFFFAOYSA-N 377.448 2.721 0 40 GFAB O=C(CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1)c1ccc(F)cc1 32909858 DJDRHQGECWVQGD-UHFFFAOYSA-N 386.398 2.912 0 40 GFAB O=C(NCc1ccccc1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 32935989 MPMQSPCQCQDDDB-UHFFFAOYSA-N 377.448 2.764 0 40 GFAB CCOC(=O)c1c(NC(=O)CNCCN(C)C)sc(C)c1-c1ccccc1 22037673 SGPIDZSVJNSIMJ-UHFFFAOYSA-N 389.521 2.990 0 40 GFAB CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N(C)C)nc1)C(C)C 22396326 MOTMUOPXPVDITJ-LJQANCHMSA-N 384.480 2.939 0 40 GFAB O=C(CCN1CCC(c2nnc3ccccn23)CC1)N1CCc2sccc2C1 104058416 DOBMRNUOBKQUBY-UHFFFAOYSA-N 395.532 2.945 0 40 GFAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)CCn3cncn3)n2)cc1 23766104 PUXPDOAMJNBLIK-LBPRGKRZSA-N 384.465 2.628 0 40 GFAB Cc1cc(COC(=O)CCn2cnc3ccc(Br)cc3c2=O)no1 24127611 WGXUIAVBWNEOEZ-UHFFFAOYSA-N 392.209 2.589 0 40 GFAB COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(C)c(Cl)c(=O)oc2c1 3183108 ACTSPIHLGHIAGG-VHSXEESVSA-N 398.795 2.635 0 40 GFAB COC(=O)c1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCC2 849484 UQODBXQZSYXYAR-UHFFFAOYSA-N 375.475 2.935 0 40 GFAB CCO[C@H](C)[C@@H](Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(C(=O)O)cc1 1602393 HKPVSEKLTUCQTK-SJKOYZFVSA-N 386.404 2.927 0 40 GFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 25044711 IRQIBDNXLLOECY-UHFFFAOYSA-N 379.381 2.910 0 40 GFAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cccnc3O)n2)cc1 12548482 HIEPIADTUXQTSK-UHFFFAOYSA-N 390.446 2.535 0 40 GFAB CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 4890350 BMPXLXKHLHTEIL-HNNXBMFYSA-N 376.457 2.938 0 40 GFAB NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6225686 SQWNKRKAEXPAJY-UHFFFAOYSA-N 375.233 2.658 0 40 GFAB CN1CCN(NC(=O)CSc2nc(-c3ccccc3)c3ccccc3n2)CC1 6490430 HTUSJSXZKDRLJD-UHFFFAOYSA-N 393.516 2.668 0 40 GFAB COc1cccc(Oc2ccc(CNC(=O)NCc3ccnc(C)n3)cn2)c1 57076044 XLKMQOCZIRVDSG-UHFFFAOYSA-N 379.420 2.980 0 40 GFAB COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35380335 JJGUWANMTYPWFI-LEWJYISDSA-N 395.503 2.879 0 40 GFAB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@@H]1CCCN(c2ncccn2)C1 58023243 NCGJKHTZKKOOGS-GOSISDBHSA-N 397.498 2.613 0 40 GFAB Cc1nn(C)c(C)c1CNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28236387 FKEKJBGLTZAYIV-UHFFFAOYSA-N 383.404 2.868 0 40 GFAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 11251414 PWYCSVUFZFUUJJ-LBPRGKRZSA-N 384.354 2.793 0 40 GFAB O=C(Cn1ncc(=O)c2ccccc21)OCc1csc(Br)c1 46232599 ROMCTCCYCXIMPJ-UHFFFAOYSA-N 379.235 2.964 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2cc3ccccc3o2)CC1 37171461 AULJKDUUQXUJCQ-CYBMUJFWSA-N 379.482 2.607 0 40 GFAB CCc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 2701848 DNEJOCDEYNQOLW-SZLZGVTBSA-N 391.452 2.774 0 40 GFAB CC(C)Cn1c(-c2ccc3c(c2)OCCO3)nc2c1c(=O)[nH]c(=O)n2CC(C)C 12541884 GDXPAVZKHBCSHT-UHFFFAOYSA-N 398.463 2.637 0 40 GFAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 12745203 NHHXHGHZYYTFOL-KRWDZBQOSA-N 388.489 2.959 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccn2)CC1)c1cc2c(s1)CCCCC2 10633994 QYKXESLRRVPVPK-UHFFFAOYSA-N 399.516 2.918 0 40 GFAB O=C(NCCc1ccccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3418253 VFIWFHDJZDSTKX-UHFFFAOYSA-N 387.505 2.619 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2-c2ccccc2)cc1 3434211 XPTMIGCJVMGKDV-UHFFFAOYSA-N 396.468 2.696 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 96000187 AONFSVZCJCRMEU-MRXNPFEDSA-N 394.479 2.764 0 40 GFAB Cc1nn(-c2ccc(C(=O)O[C@H](C)C(=O)N3CCOCC3)cc2)c(C)c1Cl 9248713 JSZPVXCVPMMUKZ-CQSZACIVSA-N 391.855 2.547 0 40 GFAB CC(C)CC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@H]1CCCO1)n2C 13690847 ZZGZVCXSNOHCBI-GOSISDBHSA-N 386.496 2.786 0 40 GFAB COC(=O)c1cc(CNC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)oc1C 39781112 UHCFYCDXZOXSMU-KRWDZBQOSA-N 376.453 2.784 0 40 GFAB Cc1csc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 5101656 KSOAAPSTQLWAHC-UHFFFAOYSA-N 397.547 2.967 0 40 GFAB COCCCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(=O)n3ccccc3nc21 5307672 PEAKSAYXGALXSH-HZPDHXFCSA-N 396.491 2.804 0 40 GFAB O=c1c2cc(Br)ccc2ncn1C[C@@H](O)COc1ccccc1 14185340 LIDKRMDSYCPVGC-CYBMUJFWSA-N 375.222 2.599 0 40 GFAB COc1ccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 14233523 MSPYFPCYQZXPPY-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB C[C@H](NC(=O)CN1C(=O)Cc2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 14797986 LGOBMANKAGFEDG-NSDYXAQKSA-N 380.488 2.933 0 40 GFAB CCOCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 4731880 UFBATJRUDDLSFA-NSHDSACASA-N 394.884 2.762 0 40 GFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1OC 6987280 WYTRKYFZFKNVER-UHFFFAOYSA-N 398.415 2.626 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 7825679 OXIFJULPDYCMFL-MRXNPFEDSA-N 395.242 2.912 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)cc1 408530485 LGJOIRLTVLHVND-UHFFFAOYSA-N 392.452 2.936 0 40 GFAB COc1cc2c(cc1NC(=O)COC(=O)c1nccnc1N)oc1ccccc12 8342142 RONDZONEQQMHPX-UHFFFAOYSA-N 392.371 2.762 0 40 GFAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 18208965 NOONZRHEDUOKQA-ZDUSSCGKSA-N 388.917 2.618 0 40 GFAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1cccc2nsnc12 19077434 CKRRZSRBJNCHRP-UHFFFAOYSA-N 375.431 2.898 0 40 GFAB O=C(NCC(=O)N1CCCc2ccccc21)N1CCO[C@H](c2ccccc2)C1 84525587 BVUVTQSNRHFNAC-FQEVSTJZSA-N 379.460 2.749 0 40 GFAB O=C(NCC[S@](=O)c1ccccc1)N1CCN(c2ccccc2Cl)CC1 84558680 AMOCFOIIRFVZCU-AREMUKBSSA-N 391.924 2.979 0 40 GFAB Clc1snnc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1 95349875 CKKMQARJFYKHPS-UHFFFAOYSA-N 376.873 2.559 0 40 GFAB COc1ccc(OCCN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 84651620 RSFZOXQWMWVHLY-OAHLLOKOSA-N 378.494 2.675 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)c(C)c1 28207760 LNVCUXHJCNGSTN-UHFFFAOYSA-N 382.526 2.807 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC3CCCCC3)C2)cc1 21586606 POXANJMRRPYKTA-HNNXBMFYSA-N 381.494 2.972 0 40 GFAB O=C(COc1ccccc1/C=C1/C(=O)NC(=S)N=C1O)Nc1ccc(F)cc1 33857403 YHSWGFDOMMPGFQ-UHFFFAOYSA-N 399.403 2.598 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C(=O)N1CCOCC1 408627011 XGZFVFPGWJEVTB-UHFFFAOYSA-N 396.415 2.546 0 40 GFAB O=C(c1cccc2[nH]ncc12)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 555348970 LCCDJIPUJAZRCR-UHFFFAOYSA-N 375.354 2.939 0 40 GFAB CC(C)(C)OC(=O)NC1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 524735817 ZVBSFVGGMMVBQG-UHFFFAOYSA-N 391.512 2.900 0 40 GFAB Cc1cccc(NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccco2)c1 35826255 YHVQUFHTUQQOGA-SQNIBIBYSA-N 395.459 2.869 0 40 GFAB COCCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 72362382 AOPJCIHXWMRLIJ-INIZCTEOSA-N 398.463 2.970 0 40 GFAB Cc1ccc(OCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1C 223616015 PEZNSHFHRJDLEJ-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1NS(C)(=O)=O 222689391 WYRKANMLXFGTOA-ZDUSSCGKSA-N 390.461 2.629 0 40 GFAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC(F)(F)F)cc1 40018078 SVFJYIZAOQGOOV-ZDUSSCGKSA-N 390.383 2.568 0 40 GFAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(c3cc(F)ccc3F)CC2)c1 570377600 DYOQCEAKIYHURD-UHFFFAOYSA-N 383.402 2.816 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCC1 225595194 OXTYRYGBAJLCCZ-OAHLLOKOSA-N 375.519 2.972 0 40 GFAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 223304681 KIBBLXNSQLWHRM-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 77099725 ALPGAQFMBQZLSI-UHFFFAOYSA-N 388.898 2.825 0 40 GFAB C[C@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919354 FHCUTOFYCHGSLU-QGZVFWFLSA-N 386.467 2.674 0 40 GFAB COC(=O)[C@@H](CCSC)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 41154643 CQWMMWAKDJNCTJ-CQSZACIVSA-N 395.456 2.609 0 40 GFAB CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(F)cc1 224912789 GHFPDCSUKFMYBP-UHFFFAOYSA-N 381.425 2.901 0 40 GFAB COc1ccc([C@H](CC(=O)N[C@@H](C)c2ccc(F)cc2)NS(C)(=O)=O)cc1 225954244 JHENIYYHYBAIPT-UGSOOPFHSA-N 394.468 2.692 0 40 GFAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N=c1[nH]c2ccccc2[nH]1 48166953 MPLWFQQQHLOLCO-MRVPVSSYSA-N 393.266 2.566 0 40 GFAB O=C(NCCCOC1CCCC1)c1cccc(N2CCCCS2(=O)=O)c1 224391004 SBXMJBNCIWQWGS-UHFFFAOYSA-N 380.510 2.696 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)CCc3ccccc3)C2)C1 96225010 QSOJNIAKKNVZLV-QFIPXVFZSA-N 392.459 2.790 0 40 GFAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)CCc1ccccc1)C2 96237767 RAXKSTXKLVRFSE-HSZRJFAPSA-N 377.488 2.569 0 40 GFAB CC(C)CCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95478516 OYOLJRMXAYSFJE-LLVKDONJSA-N 393.285 2.841 0 40 GFAB CN1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccnc3)CC[C@@H]12 96145276 SRRPADQKJPTERN-DENIHFKCSA-N 378.476 2.647 0 40 GFAB COc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(OCC(=O)O)c3)n2)c1 540676865 YFEBFXMLJZWSFK-LBPRGKRZSA-N 397.387 2.700 0 40 GFAB CN1CCCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 623597348 HFAFJDXNELOXPI-IRXDYDNUSA-N 394.510 2.960 0 40 GFAB Cc1oc(-c2ccccc2)nc1CN1CCO[C@H](CN(C)c2cccnn2)C1 607964912 QIYYMRBEZBUCLN-GOSISDBHSA-N 379.464 2.777 0 40 GFAB COc1ccc(-c2cc(C(=O)Nc3cnn(C4CCN(C)CC4)c3)n[nH]2)cc1 634092679 ZAQKVUUHYGVXTK-UHFFFAOYSA-N 380.452 2.801 0 40 GFAB O=C([C@H]1CCc2cccnc21)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 644854246 RDBSENDFPBQNKS-SFHVURJKSA-N 395.894 2.757 0 40 GFAB C[C@H](C(=O)Nc1cccc(NC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)c1)n1cccn1 663072043 ZCEKLZAFAPCRES-BQLSAVKESA-N 396.447 2.912 0 40 GFAB Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)n1 585292018 IGQJCHQDGOCJLG-WGLAMXGCSA-N 394.523 2.823 0 40 GFAB NC(=O)C1CCN(Cc2cccc(NC(=O)CSC(F)(F)F)c2)CC1 53996945 ZSLIZRUNNKSPNR-UHFFFAOYSA-N 375.416 2.575 0 40 GFAB O=C(CCSc1ccccc1)N1CCCSC[C@H]1CN1CCOCC1 90609148 KNFGUXCOQBWDKM-QGZVFWFLSA-N 380.579 2.835 0 40 GFAB Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1sccc1-n1ccnn1 583496474 PXOJASUOMPLYKY-NSHDSACASA-N 382.371 2.988 0 40 GFAB CCOc1ncccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615119498 IONDLBOELGWFOV-JOCHJYFZSA-N 395.459 2.519 0 40 GFAB CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]1C=C[C@@H]1[C@H](C)[C@H](O)C[C@H]3CC(O)=C(C[C@H]21)C(=O)O3 1772591920 UWWREIQRGHNEAS-VMHMYNELSA-N 390.476 2.911 0 40 GFAB COc1cccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 5018375 CCIMDASHEDUZOB-UHFFFAOYSA-N 399.428 2.882 0 40 GFAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12182421 SNIKINPWQAKMLL-CZUORRHYSA-N 379.464 2.617 0 40 GFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)OCCO2 12912578 SNYYZNOJCHAZGW-UHFFFAOYSA-N 376.359 2.837 0 40 GFAB Cc1ccccc1N1C[C@H](C(=O)Nc2nc(-c3cnn(C)c3)cs2)CC1=O 19661572 IHWKHFQSHSLNPI-CYBMUJFWSA-N 381.461 2.844 0 40 GFAB C[C@H]1CN(C(=O)c2ccccc2OCC2CC2)CCN1C(=O)c1cscn1 519684709 HUTQCBYNZCLCSZ-AWEZNQCLSA-N 385.489 2.919 0 40 GFAB CC(=O)N1CCN(Cc2ccccn2)CCCN(C(C)=O)c2ccccc2C1 643559377 UFDPVMZMCUVNED-UHFFFAOYSA-N 380.492 2.689 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CCN1C(=O)c2ccccc2C1=O 14913909 LZQALONPNXRQQV-UHFFFAOYSA-N 388.370 2.933 0 40 GFAB CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(NC(C)=O)cc2)N(C)C)cc1 16088126 DLVLYXAYDOSHSP-HXUWFJFHSA-N 389.521 2.789 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1cc(F)ccc1F 3600890 FORXHRHGXPBXGL-FQEVSTJZSA-N 385.370 2.687 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@]1(O)CCCc2sccc21 1889176702 YZWIQSGPCHQLMN-MRXNPFEDSA-N 387.910 2.913 0 40 GFAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 15605147 OJPUMSAJXLBBAH-MRXNPFEDSA-N 380.853 2.533 0 40 GFAB O=C(NCc1nncn1-c1ccc(F)cc1)c1ccnc(O[C@@H]2CCSC2)c1 244970138 HLHCKDIAPFVSQX-MRXNPFEDSA-N 399.451 2.616 0 40 GFAB Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 4585962 KOEKOGGYZBGLBS-UHFFFAOYSA-N 378.820 2.577 0 40 GFAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(Cl)cc2)c(OC)c1 9616201 AUPUQSUIZRUCKQ-UHFFFAOYSA-N 388.815 2.655 0 40 GFAB CCOC(=O)c1c(NC(=O)CCN2CCN(C)CC2)sc2c1CCCCC2 21548823 UENGXUDSOSBREK-UHFFFAOYSA-N 393.553 2.770 0 40 GFAB O=C(NCc1ccccc1Cl)C(=O)NCC1(c2cccs2)CCOCC1 21690728 AVOWCJUPUMYSHF-UHFFFAOYSA-N 392.908 2.882 0 40 GFAB COc1ccc(/C=C/C(=O)NCc2cc(-c3ccncc3)nn2C)cc1OC 1775966568 LXCIYEHTMWRTMO-FNORWQNLSA-N 378.432 2.829 0 40 GFAB O=C(c1cncc(F)c1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2086896616 COUAATNBQGQWTQ-XHDPSFHLSA-N 380.345 2.985 0 40 GFAB O=C(NCc1cccc(Br)c1)c1c(O)c2sccc2[nH]c1=O 49409548 IPRHSMHZYDZMIC-UHFFFAOYSA-N 379.235 2.988 0 40 GFAB O=C([C@@H]1CCCN(c2cc3c(nn2)CCC3)C1)N1CCN(c2ccccc2)CC1 618256033 BUGOGKUBWRURHP-LJQANCHMSA-N 391.519 2.531 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3[C@H]4CC[C@H]3CC(n3ccnn3)C4)CC2=O)cc1C 618254613 BJNYNGXEYFPSCU-WDSOQIARSA-N 393.491 2.643 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccccc1Cl)C2=O 36839398 OMYZVNJQFXOFDP-UHFFFAOYSA-N 377.872 2.799 0 40 GFAB CNC(=O)NC(=O)CN(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 40051373 JFWLKDSYOXJPEF-OAHLLOKOSA-N 382.464 2.664 0 40 GFAB NC(=O)[C@H]1CC(C(=O)OCc2cccc(Cl)c2)=NN1c1ccc(F)cc1 40052136 HLVWXTNXJJJGJN-MRXNPFEDSA-N 375.787 2.643 0 40 GFAB COc1ccc(N2C(=O)C[C@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc1 100792243 WPBVWOKZPNSPIQ-FQEVSTJZSA-N 375.428 2.867 0 40 GFAB biogenic Cc1coc2cc3oc(=O)c(CC(=O)NCCCN4CCOCC4)c(C)c3cc12 20612224 XSGNMYXFCLNUEO-UHFFFAOYSA-N 398.459 2.537 0 40 GFAB biogenic O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 102382415 IPNCPTBPSQGIRF-ZZCKCESHSA-N 394.874 2.870 0 40 GFAB CN1CCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C3CC3)cn2)CC1 23143485 IYOBWEJDVOTJIA-NRFANRHFSA-N 379.508 2.784 0 40 GFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(-n3cccn3)cc2)cc1 23865795 AHZQVTSHWJVYIC-JOCHJYFZSA-N 390.487 2.984 0 40 GFAB O[C@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc12 19372177 MXQRCYFAJZRXRA-HXUWFJFHSA-N 379.460 2.748 0 40 GFAB Cc1ccc(CN(Cc2cccnc2)C(=O)CN2C(=O)COc3ccccc32)o1 1361673 XVXLJYFYWCRKGT-UHFFFAOYSA-N 391.427 2.937 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)NCc3ccccc3-n3ccnc3)cnc12 55696791 ZZKZOPCUYWDRQQ-UHFFFAOYSA-N 387.443 2.597 0 40 GFAB CCOc1ccc2[nH]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1 4861567 XHWMKEWRKXERBM-UHFFFAOYSA-N 396.443 2.917 0 40 GFAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(Br)c1 4944519 IOSICUFXWYQPPI-SNVBAGLBSA-N 380.267 2.739 0 40 GFAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nc(-c2ccncc2)cs1 71285727 NXFAPIFBMWCQGA-UHFFFAOYSA-N 379.449 2.831 0 40 GFAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccc2c(c1)OCO2 7981860 OIWLBAZRXJBQSR-LLVKDONJSA-N 389.791 2.613 0 40 GFAB C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)C(=O)N1CCCc2ccccc21 56308274 HFJZKZPTRDFIEG-INIZCTEOSA-N 381.476 2.933 0 40 GFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@H]1CCc2c(F)cccc21 56325742 JDSOXTDWFMPLEC-SFHVURJKSA-N 378.407 2.626 0 40 GFAB CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)C[C@@H]1COc2ccccc2O1 10049855 CGTBYDOGZWHDOJ-GOSISDBHSA-N 395.459 2.524 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C 9158246 GVJCEIMIBXXSKG-UHFFFAOYSA-N 379.800 2.652 0 40 GFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 58180958 LJPSBVNFNXDSHH-MLGOLLRUSA-N 378.432 2.724 0 40 GFAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)o1 58246516 HZZBPWDJHGOPIH-GOSISDBHSA-N 375.812 2.956 0 40 GFAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1Cl 24647373 YVZRTYBSXUAWPE-HNNXBMFYSA-N 394.880 2.844 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c(OC)c1 101218958 JMVNJQPOMSFTND-WBVHZDCISA-N 386.791 2.650 0 40 GFAB CCCOc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 36637077 KGMSJDIAAAXOPQ-JOCHJYFZSA-N 393.443 2.807 0 40 GFAB CCN(C(=O)CN1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1)C1CC1 47913770 SKFRFEZVABZYST-QGZVFWFLSA-N 397.523 2.735 0 40 GFAB CN(C(=O)CSc1n[nH]c(N)n1)[C@@]1(c2ccccc2Cl)CCCCC1=O 12750216 KIYJZODFWDLXIY-QGZVFWFLSA-N 393.900 2.629 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 3344963 BUSDDBCUZZAYCV-IBGZPJMESA-N 393.487 2.553 0 40 GFAB NC(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 3328741 MZLCFENUDQVXPP-MDWZMJQESA-N 393.371 2.843 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](CCSC)c2nnc3ccccn23)c1 12894518 VZCHMPZBUAJSES-MRXNPFEDSA-N 386.477 2.971 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1Cl 3463899 IJZCYRGJNOUIBJ-FQEVSTJZSA-N 399.834 2.681 0 40 GFAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(-n2cnnn2)cc1 3551295 JFIQDDOPMCOTAJ-UHFFFAOYSA-N 388.383 2.614 0 40 GFAB NC(=O)c1ncc(Br)cc1N1CCCN(Cc2ccccc2)CC1 96011486 CWGPXQOMEJHNBE-UHFFFAOYSA-N 389.297 2.655 0 40 GFAB COc1ccc(CN(C(=O)/C=C/c2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5111479 CNOJCFXTCYLZJM-FDMDGMSGSA-N 375.446 2.517 0 40 GFAB Cc1occc1C(=O)OCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 39983730 XBFDNCRQPBVFNE-UHFFFAOYSA-N 396.399 2.931 0 40 GFAB COCCN1CN(CCc2ccc(OC)c(OC)c2)Cn2c1nc1ccccc12 9264909 PGACHLIBNJYFTP-UHFFFAOYSA-N 396.491 2.980 0 40 GFAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc2c(c1)OCO2 13961508 IKPSDVICGRGORB-KBXCAEBGSA-N 389.429 2.791 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)N3CCCC[C@H]3CC)n2N)cc1 5218364 XQPXVXQBFHCAPR-OAHLLOKOSA-N 389.525 2.941 0 40 GFAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 5240444 VCCVUETZXBGACR-UHFFFAOYSA-N 383.517 2.949 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cc(Br)ccc2=O)c1 14168951 KWIWKEQVSJZIAV-LLVKDONJSA-N 395.253 2.505 0 40 GFAB CCN(CC)C(=O)CCCNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 97327131 KOZMBXNCTCBHKI-UHFFFAOYSA-N 377.876 2.608 0 40 GFAB COc1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 6657810 BVKIELAQPVQGAV-QGZVFWFLSA-N 393.443 2.753 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)c4ccccc4C3=O)c2c1 9419864 MIZGLASZFUCQEA-UHFFFAOYSA-N 391.427 2.522 0 40 GFAB CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NC(=O)NC)n3C)cc2C1 5776324 GMRXBQOGUGMTPW-JTQLQIEISA-N 393.538 2.606 0 40 GFAB Cc1nc(-c2cccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cs1 8187503 SFQJDXZZBDKEKS-UHFFFAOYSA-N 384.461 2.922 0 40 GFAB C[C@H](C(=O)NC1CCCCC1)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 8324003 XKAYZAPDDOCBIR-JLCFBVMHSA-N 383.492 2.780 0 40 GFAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cccc(F)c1 17521960 RAPTUBZIRJFRLW-OAHLLOKOSA-N 380.832 2.676 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N(C)Cc2ccccc2)cc1 9864089 UYUUQKJCTYWHSW-UHFFFAOYSA-N 389.521 2.856 0 40 GFAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC[C@H]1CCCO1 8940888 QRZDZAIMXBEZIB-DZGCQCFKSA-N 399.516 2.903 0 40 GFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cc1ccon1 95998472 CBLPDRLBDAWVBQ-LJQANCHMSA-N 380.448 2.679 0 40 GFAB O=C(N[C@H]1CCO[C@H]1C1CC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 89781056 ZLNHYEVQQZUZKE-OALUTQOASA-N 392.521 2.549 0 40 GFAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1cnc2sccn2c1=O 28234042 YEOBHNDNZVJELY-UHFFFAOYSA-N 385.836 2.907 0 40 GFAB CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 409392585 RRNOSELYMUFDBD-NSHDSACASA-N 397.324 2.592 0 40 GFAB C[C@H]1CCc2ccccc2N1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 25411229 OZCNRMGNEMSPQZ-AWEZNQCLSA-N 381.432 2.947 0 40 GFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1OC(F)F 24670023 SYLKLOOBAHLREF-UHFFFAOYSA-N 395.431 2.746 0 40 GFAB CC1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 408708183 HIJLDGYCRRVITJ-UHFFFAOYSA-N 383.448 2.843 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(F)c1 408623001 OLZUWBQOESVAEN-SNVBAGLBSA-N 386.832 2.793 0 40 GFAB Cc1nccn1-c1ccc(N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)nn1 70842984 UEGLIPKBOJJESP-KRWDZBQOSA-N 394.454 2.643 0 40 GFAB Cc1nnc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1 223414872 DMDBDQXLTDFIDW-GFCCVEGCSA-N 382.392 2.578 0 40 GFAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2nc(C)c3ccccc3c2=O)cc1 42755778 AADKDYZVTJBKDT-SFHVURJKSA-N 380.444 2.666 0 40 GFAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223896831 IAGGAKJHSSKTBX-ZDUSSCGKSA-N 398.887 2.993 0 40 GFAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935915 DZQDVMXNXSDGHZ-LPHOPBHVSA-N 388.489 2.790 0 40 GFAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4ccc(F)cc4)C3)n2)c1 77191200 NAJIUPHNPVAQCL-UHFFFAOYSA-N 395.394 2.867 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1C 222991506 XWICDIWUGZTXMY-IBGZPJMESA-N 390.505 2.865 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222947330 RNJHILMLZNRSOC-CYBMUJFWSA-N 396.896 2.992 0 40 GFAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 223438460 ASDDUSWMQHWOTR-UHFFFAOYSA-N 392.911 2.510 0 40 GFAB O=C(Nc1cccnc1)[C@@H]1CN(C(=O)Cc2cccs2)CC12CCOCC2 96241035 FCWWKGGMJYUTLT-KRWDZBQOSA-N 385.489 2.580 0 40 GFAB Cn1nc(C(=O)N2CCC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)c2ccccc21 96228375 ZESGVEDIMLBCLL-HTAPYJJXSA-N 382.508 2.680 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)cc1OC 26676683 AANAYLOOZGZMGA-CYBMUJFWSA-N 390.867 2.834 0 40 GFAB CCCn1cc(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N(CC)CC)cn1 257246513 IUKQIWHMPGXQOW-KRWDZBQOSA-N 386.500 2.866 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(CCC(=O)O)cc2)[C@@](C)(O)C1 257270045 MSOIXJMVWDOISD-JXFKEZNVSA-N 379.453 2.843 0 40 GFAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O 64987579 TZVSMRRTSXKKNR-UHFFFAOYSA-N 378.432 2.716 0 40 GFAB CCn1c(=O)n(CC)c2cc(CN3CC[C@H]4[C@H]3CCCCC(=O)N4C)ccc21 257303810 SIUSYGKXCLBJBD-ZWKOTPCHSA-N 384.524 2.818 0 40 GFAB O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)C1(n2cnnn2)CCOCC1 621980413 WLMYNGWQBLTDIK-UHFFFAOYSA-N 390.856 2.594 0 40 GFAB CCOc1cc(NC2CCN(c3nc(OC)cc(C(F)(F)F)n3)CC2)ncn1 624106788 PEFZRTOMMAJNHX-UHFFFAOYSA-N 398.389 2.774 0 40 GFAB CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(F)(F)c1cccc(F)c1)CC2 664185200 LQHBNESBUQABME-CQSZACIVSA-N 381.402 2.947 0 40 GFAB CS(=O)(=O)[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)C[C@H]1C(F)(F)F 665150123 BNMOKTFHRVFIAN-HZGVNTEJSA-N 390.305 2.543 0 40 GFAB CCn1nc(C)cc1C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 680021421 DTZUZPNIEQTOAN-UHFFFAOYSA-N 390.490 2.991 0 40 GFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(C(F)F)s1 58162557 JJSWADBHMBEVQK-GFCCVEGCSA-N 379.392 2.643 0 40 GFAB C[C@@H]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 58167299 GPDREEOSADIGDI-IIDMSEBBSA-N 379.526 2.840 0 40 GFAB Cc1cc(O)n2nc(CC(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)nc2n1 12181041 ZECJCUZCAXAHQE-ZXFUBFMLSA-N 395.438 2.757 0 40 GFAB CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCC2CC2)C1=O 12220916 DJIDQLLVUWVUFH-UHFFFAOYSA-N 382.416 2.541 0 40 GFAB O=C(N[C@H]1CCCOC1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226246 XUXJVGZUHJLCAQ-ROUUACIJSA-N 390.455 2.801 0 40 GFAB COc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 12917222 FJGWFLPLOBCSGF-KCQAQPDRSA-N 379.453 2.953 0 40 GFAB O=C(NCc1cccnc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 13583308 IZAFMIYEPZBFMN-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB COc1ccc(N(CCCC(=O)Nc2cccnc2)S(C)(=O)=O)cc1Cl 13681087 ZUXQBOOKYOFMJB-UHFFFAOYSA-N 397.884 2.929 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1 16349613 RJRFIDVJTORHRC-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CCOC(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 18540660 HEOMYUNHPVIFAB-UHFFFAOYSA-N 386.423 2.730 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19520063 TURYVTCRAZREMB-MRXNPFEDSA-N 380.492 2.883 0 40 GFAB CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCN1CCOCC1 19590178 QDDOWJWSEWKEEQ-CQOQZXRMSA-N 399.579 2.968 0 40 GFAB COCc1ccc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)cc1 19594422 BZECGEKFEZMECF-QFIPXVFZSA-N 380.444 2.630 0 40 GFAB COc1cc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c(OC)cc1Cl 19599063 ZFLNXUFGVHPUMR-UHFFFAOYSA-N 398.868 2.576 0 40 GFAB COc1ccccc1C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 19655047 CHZUYNATXQFDAG-OAHLLOKOSA-N 386.423 2.586 0 40 GFAB O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 19937287 WOSMEVYJRXRSDP-UHFFFAOYSA-N 378.407 2.538 0 40 GFAB COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C)ccc2c1[C@H](OC(C)=O)C[C@@H](C)C2 230077477 PLYNBLLEIDIMDU-AMNKKEIWSA-N 390.476 2.870 0 40 GFAB biogenic,in-vitro C[C@@H](Cc1ccccc1F)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220803 ABCWCLDAYPTGLC-JKXTWKSPSA-N 381.451 2.829 0 40 GFAB CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2CO)C1 585164660 DBANJPGUKCBLRH-DYESRHJHSA-N 390.480 2.875 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(N2CCCCC2=O)cc1 12984101 NUXPJPVOEKLKRN-UHFFFAOYSA-N 399.535 2.968 0 40 GFAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncnc4ncccc34)CC2)c1F 1888897462 AAETXMDWROWCMW-UHFFFAOYSA-N 381.459 2.886 0 40 GFAB CN(C)c1ccc(N2CCN(Cc3ccccc3Br)CC2)nn1 1889130383 FUXKSZUJDLGGFR-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3noc(-c4cccs4)n3)C2)nc1C 238865144 LPIZKMGLDJJWHM-GFCCVEGCSA-N 393.494 2.501 0 40 GFAB COc1ccc(CN2CCO[C@@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)cc1 2056226092 KAGVXKXRFXUMDW-RBBKRZOGSA-N 388.508 2.504 0 40 GFAB CC(C)N1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565541748 XFLGAVRLXYTODD-NQIIRXRSSA-N 384.501 2.994 0 40 GFAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1 5136844 KRQWZBFBISJLHR-UHFFFAOYSA-N 380.491 2.508 0 40 GFAB COC(=O)[C@@H](C)Sc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 5107557 YGIKVAGWVQZYEJ-MRVPVSSYSA-N 389.355 2.672 0 40 GFAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]12)c1cscn1 2055716082 YGDUZODIWIXXSQ-SUNYJGFJSA-N 393.459 2.688 0 40 GFAB COc1cccc(-c2cc(C(=O)NC[C@@H]3CCCN3c3nccs3)n(C)n2)c1 206781747 NMIWGHXMRCGNNY-HNNXBMFYSA-N 397.504 2.951 0 40 GFAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3cccnc3-c3cnn(C)c3)cc2)C1 575617559 FSAZOMLCCDKJBK-HXUWFJFHSA-N 391.475 2.637 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NCC[C@@H](CCO)c2ccsc2)cc1 575621710 RPQCMDQLAIGONL-INIZCTEOSA-N 395.546 2.757 0 40 GFAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc(Br)cn3)C[C@H]2C1 2298205947 ILLABMCFHGPHAE-RYUDHWBXSA-N 391.244 2.587 0 40 GFAB Cc1cc(Br)ccc1N1C[C@H](C(=O)Nc2ncccc2O)CC1=O 23082399 FJVLNFZEXKZXMX-LLVKDONJSA-N 390.237 2.850 0 40 GFAB COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 35877434 RAWOHIWYAHGABO-VPKVUBIPSA-N 377.444 2.966 0 40 GFAB biogenic C[C@@H](C(=O)NC1CC1)N1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 40040304 ITXPOAALGLATAL-KBPBESRZSA-N 391.466 2.777 0 40 GFAB Cc1cccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 31451462 WRHBANYLOFGIKA-UHFFFAOYSA-N 379.338 2.501 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Oc1ccc(-n2cnnn2)cc1 32738143 YJSRIUHMDNZYTO-UHFFFAOYSA-N 378.367 2.823 0 40 GFAB CCOc1cc(CN(C(=O)c2ccc(O)nn2)C2CC2)ccc1OC(F)F 32744949 RQZMDKZJYZCFNH-UHFFFAOYSA-N 379.363 2.987 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)c3ccc(F)c(F)c3)c(C)c12 32827254 NUYCSKZNQYXCRL-LLVKDONJSA-N 388.418 2.967 0 40 GFAB CC(C)CC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br 32904696 NFMCXURLYIRHQP-JTQLQIEISA-N 377.304 2.651 0 40 GFAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]21 103088840 MNXBSYVVUROKIR-PAYONLEZSA-N 377.400 2.937 0 40 GFAB O=C(c1cccc(F)c1)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 33327627 SLGLFEWPDDUXOX-UHFFFAOYSA-N 384.386 2.973 0 40 GFAB CN1CCN(CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)CC1 22592196 HQOUBFMGPRZWSC-GXDHUFHOSA-N 396.310 2.690 0 40 GFAB C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)[C@@H]1CCCO1 42059537 ZRUUTRZJAPUCOR-DYEKYZERSA-N 389.521 2.726 0 40 GFAB CN(CCc1cccc2ccccc12)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 104195903 NXYUDTKKRUFHDL-YHDSQAASSA-N 388.467 2.648 0 40 GFAB Cc1nc(-c2ccc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc2)co1 23182871 DHBSWPIDOFIFCL-UHFFFAOYSA-N 399.472 2.994 0 40 GFAB CN1CCc2nc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)sc2C1 23608764 RSKZDGQAYZIKGV-UHFFFAOYSA-N 380.514 2.717 0 40 GFAB CC(C)Oc1cccc(CC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1 78647954 SAIPYVYXZGGXIJ-GOSISDBHSA-N 376.522 2.583 0 40 GFAB O=c1cc(CSc2nnc(Cn3nnc4ccccc43)o2)c2ccccc2[nH]1 1328793 LWKGRLWEIKCOTD-UHFFFAOYSA-N 390.428 2.996 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 1353396 SFCLNYGVQBRPAZ-UHFFFAOYSA-N 397.460 2.781 0 40 GFAB COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO 3455226 VEVUEHQYOHRTPJ-UHFFFAOYSA-N 399.472 2.518 0 40 GFAB O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 1391931 OGIFDRULYZTAEM-UHFFFAOYSA-N 386.242 2.792 0 40 GFAB COc1cc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc(C(=O)O)c1OC 55674715 YJAYBNCCMNFTEA-UHFFFAOYSA-N 379.434 2.844 0 40 GFAB COc1ccccc1NC(=O)c1nnn(Cc2ccc(F)cc2Cl)c1N 4934068 KEJCSAQXADSPPU-UHFFFAOYSA-N 375.791 2.962 0 40 GFAB Nc1nc(N)nc(CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)n1 7147674 ASDOGEONVUTOBS-UHFFFAOYSA-N 382.497 2.957 0 40 GFAB CC(C)C[C@H](C(=O)N[C@@H]1COc2ccccc21)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 107347353 MJTSXZARNDNXQG-CWLKWCNXSA-N 382.460 2.602 0 40 GFAB Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 43964306 RYZRIFMPNCHSEA-OAHLLOKOSA-N 386.477 2.604 0 40 GFAB COc1ccc([C@@H](NC(=O)CN2CCN(c3nccs3)CC2)C(C)C)cc1 35284001 TWZBIHCMOCPANE-IBGZPJMESA-N 388.537 2.787 0 40 GFAB CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 59780059 VCTVSNQPNCMZEO-UHFFFAOYSA-N 378.436 2.833 0 40 GFAB Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)c1C 12546770 KJUJXYXLZKIHKC-OALUTQOASA-N 397.519 2.517 0 40 GFAB COCCn1c(SCC(=O)N(C)c2ccccc2)nc2ccsc2c1=O 57425767 YUSWXCUGKSJMJU-UHFFFAOYSA-N 389.502 2.860 0 40 GFAB COCCn1nc(C)c(CNC(=O)NC[C@@H](C(C)C)N2CCCCCC2)c1C 58172224 RLHOWUHIRFGIKZ-FQEVSTJZSA-N 393.576 2.846 0 40 GFAB CC[C@@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)NC1=S 8997353 FJMLSUBLPZDWFA-PRIMNGNOSA-N 391.924 2.893 0 40 GFAB CCOC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 95437652 SNKJLJFLIBVWAN-INIZCTEOSA-N 396.509 2.705 0 40 GFAB Cc1nccc(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)n1 58420573 VVESYWSROMUCKD-SECBINFHSA-N 378.226 2.810 0 40 GFAB CCC[C@@H](CNC(=O)Cc1cccc(OC)c1)NC(=O)Cc1cccc(OC)c1 58162614 GMNGZSGMNLMICQ-IBGZPJMESA-N 398.503 2.890 0 40 GFAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 28514342 KETAJHKCKSRQHR-INIZCTEOSA-N 381.432 2.503 0 40 GFAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)Cc4sc(C)nc4C)C3)nc12 100727972 FSXZZZWSACXXCW-CQSZACIVSA-N 399.520 2.938 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1/C=C/c1ccccc1 2702437 VSLFZEBFPWQYRR-KTMLPXRHSA-N 386.473 2.866 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(C)nn(C)c2s1 12687378 FFHJUEFEJHPUIJ-UHFFFAOYSA-N 392.506 2.754 0 40 GFAB CC(=O)N[C@H](CC(=O)N[C@H](c1ccccc1)c1nccn1C)c1cccs1 48278651 YNRDEXPBCPAPPE-VQIMIIECSA-N 382.489 2.955 0 40 GFAB COc1ccc(C(N)=O)c(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 12784956 CJUCLQYEUFMIJM-CQSZACIVSA-N 382.460 2.929 0 40 GFAB COc1ccc(C(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1 12869066 MBRFAWKMHWIAGD-UHFFFAOYSA-N 380.510 2.567 0 40 GFAB Cc1ccc(CCC2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cc1 12983901 JCJMAYTUMFZBMC-UHFFFAOYSA-N 398.551 2.613 0 40 GFAB O=C(Cc1csc(N2CCCC2=O)n1)OCc1cc(Cl)c2c(c1)OCO2 25059223 CQDWYBZSWBYGGC-UHFFFAOYSA-N 394.836 2.938 0 40 GFAB CN(C)S(=O)(=O)c1cc(NC(=O)CC2(C(=O)O)CCCC2)ccc1Cl 13253184 PYHWKWSLPDOUOC-UHFFFAOYSA-N 388.873 2.564 0 40 GFAB CC(C)n1cnc2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2c1=O 95480479 YMNMCRUPVZGZHA-UHFFFAOYSA-N 390.443 2.962 0 40 GFAB O=C(NCCCC(=O)N1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1 95448978 VWEQBMOHVXRKSP-UHFFFAOYSA-N 399.878 2.679 0 40 GFAB COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1ncccc1C)C(F)(F)F 6090732 SXJGXVPLCKIXGI-KRWDZBQOSA-N 381.354 2.592 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 6004549 CUIQNFUGMSICHG-CQSZACIVSA-N 387.457 2.533 0 40 GFAB CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccccc2)CC1 96118007 HJOIUSSUYZTAAH-UHFFFAOYSA-N 376.460 2.949 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1ncnc2sccc12)[C@@H]1CCS(=O)(=O)C1 6115568 LZFKVPFSOJYNHO-VXGBXAGGSA-N 399.563 2.598 0 40 GFAB COc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)cc1 6126045 PVALAMCZKVZBID-UHFFFAOYSA-N 376.460 2.803 0 40 GFAB O=C(/C=C/c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 89847739 IODIDQLTLOSHKN-MDZDMXLPSA-N 390.892 2.886 0 40 GFAB O=C(O)[C@H]1C[C@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 5425821 PXOSMUYMWYOVPI-MNOVXSKESA-N 391.777 2.513 0 40 GFAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2ccc3[nH]ccc3c2)C1=O 96222703 NKBSNMQBAHLHAB-KRWDZBQOSA-N 392.415 2.626 0 40 GFAB biogenic CC(C)[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1nc2ccccc2[nH]1 6589249 JOIFPFUCAKBHMA-FQEVSTJZSA-N 375.432 2.786 0 40 GFAB COC(=O)CSc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12 6546441 MBFJBDSFLFEHDZ-UHFFFAOYSA-N 394.456 2.666 0 40 GFAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N1CCC(O)CC1 9418786 JBWTYKVSEORCII-UHFFFAOYSA-N 379.412 2.822 0 40 GFAB biogenic CCN(CC)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 5570055 PNBJPSBSRQOGPD-UHFFFAOYSA-N 386.448 2.641 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(-c3ncn[nH]3)c2C)n1C 6851452 NJFJJUAJJQSSEE-UHFFFAOYSA-N 397.464 2.884 0 40 GFAB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 15365254 ZKWXNZAVYJSDGA-UHFFFAOYSA-N 399.472 2.523 0 40 GFAB C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc2c(c1)OCCO2 7064465 VIRQAVKARSQFNX-AWEZNQCLSA-N 382.416 2.991 0 40 GFAB COc1cc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)ccc1NC(C)=O 67482275 BRXPZBDVTHGVEA-LJQANCHMSA-N 395.459 2.826 0 40 GFAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(-c2ccccn2)n1 68560767 GJYXUQHRNAGQJJ-KRWDZBQOSA-N 379.441 2.879 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 7804801 HSPRVXYJJVPOOT-UHFFFAOYSA-N 388.474 2.708 0 40 GFAB CCCCN(C(=O)NC1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O 8395155 UGBXSNDSZZRICL-UHFFFAOYSA-N 379.505 2.568 0 40 GFAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@H]2C)C(=O)Nc1sccc1C(N)=O 8484938 UJOSKZOZCKEOMH-MXWKQRLJSA-N 388.445 2.915 0 40 GFAB COc1ccc(-c2noc(CN3CCN(Cc4c(C)noc4C)CC3)n2)cc1 96941324 YTQYDABBGUANEF-UHFFFAOYSA-N 383.452 2.668 0 40 GFAB CC(C)(C)OC(=O)N1CCN(Cc2nnnn2C2CC2)C2(CCCCC2)C1 84200359 VOFQAKUETLPDQM-UHFFFAOYSA-N 376.505 2.764 0 40 GFAB CCCC(=O)N1CC(F)(F)C[C@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306141567 WAPJARSUNFBQJM-GOSISDBHSA-N 382.455 2.505 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C 28249656 KZMFXBGEOLKSGT-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB O=C(c1cnccn1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306139986 UGCWMHHOMKYYGL-FQEVSTJZSA-N 396.454 2.904 0 40 GFAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(CC1CC1)C[C@H]2c1cccnc1 306140245 UNVDHILINJPFTH-PZJWPPBQSA-N 383.517 2.750 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306144378 ZDPGKOQBJWTKBY-OAHLLOKOSA-N 397.504 2.566 0 40 GFAB Cc1sc(-n2cnnn2)c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c1C 524734682 CJMMNUNCDWYYOV-INIZCTEOSA-N 393.476 2.594 0 40 GFAB CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21 408713008 GAZPORVMGWAHFI-UHFFFAOYSA-N 375.472 2.979 0 40 GFAB COCCCNc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217610110 JILILSDENHLKCJ-CQSZACIVSA-N 392.477 2.873 0 40 GFAB O=C(NCCOc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 30129573 VWPLEYGZEYMUIL-AWEZNQCLSA-N 376.453 2.935 0 40 GFAB CCOC(=O)[C@@H](CC(C)C)N[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104821 NRRVVWXWMFPPSD-DLBZAZTESA-N 391.512 2.597 0 40 GFAB Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 223909512 WWBFXNLPFXVJDY-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB Cn1nc(C(=O)Nc2ccccc2-c2ccccc2)c2c1CCS(=O)(=O)C2 41070476 KVRSIBPSCPWLEU-UHFFFAOYSA-N 381.457 2.810 0 40 GFAB CC[C@@H](C(=O)NCCOc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 224299528 ZDXBGQGKZGHRSW-SFHVURJKSA-N 394.468 2.566 0 40 GFAB O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44901686 FBIZCZGSPDRBJV-SFHVURJKSA-N 378.538 2.720 0 40 GFAB Cc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225487846 XAZLGVCUDHAEMC-UHFFFAOYSA-N 396.538 2.742 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cnc2cc(C(F)(F)F)nn2c1 225572080 IRNAKMJWDYVBRT-UHFFFAOYSA-N 398.366 2.551 0 40 GFAB CCCCNC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 225170287 UKHXWKMUIUUISM-UHFFFAOYSA-N 382.526 2.719 0 40 GFAB COCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224314928 QHCZJHGXLZUGDU-UHFFFAOYSA-N 396.896 2.850 0 40 GFAB CCN(CC(=O)N(C)c1ccc(F)cc1)S(=O)(=O)c1cc(F)ccc1OC 226070004 NNCOGEUMEKSFLM-UHFFFAOYSA-N 398.431 2.647 0 40 GFAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2cccc(Cl)c2)CC12CCOCC2 96240807 FURILBGNKPQIQJ-QGZVFWFLSA-N 376.884 2.735 0 40 GFAB CCNc1c(NC(=O)Cn2c(=O)oc3ccccc32)c(=O)oc2ccccc12 96515453 JGNNUPYFJHZVAE-UHFFFAOYSA-N 379.372 2.771 0 40 GFAB O=C(O)c1c(I)ccc(I)c1F 98174804 UZAWBZDPOOUYIM-UHFFFAOYSA-N 391.905 2.733 0 40 GFAB O=C(COc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257281637 OQFPZWSEIPQXJB-WKILWMFISA-N 393.447 2.996 0 40 GFAB Cc1nc2c3c(F)cccc3nn2c(O)c1CCC(=O)Nc1nc(C(C)C)n[nH]1 253496390 GXNOYZHFUNCYID-UHFFFAOYSA-N 397.414 2.848 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)NCCCN2CCCC2)[C@@H]1c1ccccc1OC 257233597 GPWLJGAZQINOBR-NQIIRXRSSA-N 387.524 2.597 0 40 GFAB Cc1noc([C@H]2CN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C[C@@H](C)O2)n1 628856683 CRVWDENSNQMALT-AYOQOUSVSA-N 384.480 2.579 0 40 GFAB OCC[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1Br 655751687 QEIQGZXHIWFRRT-QAPCUYQASA-N 383.330 2.716 0 40 GFAB C[C@H](NC(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)c1c(F)cncc1F 672581150 HJPGURJJEKJHKE-ZDUSSCGKSA-N 388.418 2.650 0 40 GFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)COC5CCCC5)C[C@]4(C)C3)n1)CCCC2 1616032200 DGPCATAPYKTPOL-GAJHUEQPSA-N 398.551 2.908 0 40 GFAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC3CC(F)(F)C3)C[C@H]12 585109696 IXUPCBDTXKUMBJ-CMKODMSKSA-N 394.462 2.581 0 40 GFAB COc1ccc([C@@H](O)CNC(=O)c2ccccc2Br)cc1OC 170186771 MNOSJQILQIGRIA-AWEZNQCLSA-N 380.238 2.930 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccccc3O)CC2)c1C 35344021 AAMMNJVUNAPMDS-INIZCTEOSA-N 399.491 2.907 0 40 GFAB CC[C@@H]1C(=O)NCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 78608056 CRCIQCVDHWENIQ-GOSISDBHSA-N 376.460 2.695 0 40 GFAB CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3CCCn4ccnc43)CC2)cc1 655704201 SNVDGJMWFZIZRP-LJQANCHMSA-N 388.537 2.770 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NCc3ccccc3)CC2=O)c1C 5934488 MPATXXNVFQHNSB-SFHVURJKSA-N 380.444 2.516 0 40 GFAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1 11643440 GTMOPLOOVITAHR-HOTGVXAUSA-N 386.448 2.762 0 40 GFAB O=C1N[C@@H](c2ccccc2F)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859133 JKHHWXQVBXGWHG-KEYYUXOJSA-N 382.313 2.930 0 40 GFAB CC(=O)N1CCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 12146649 NGRQSZLYZPFODB-JOCHJYFZSA-N 398.478 2.752 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1C 16692174 QRLDAPMRKPWMOU-UHFFFAOYSA-N 390.505 2.673 0 40 GFAB COc1coc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1=O 16850860 MSTODKIGZJBKEX-UHFFFAOYSA-N 383.231 2.918 0 40 GFAB CC(=O)N[C@H](c1ccccn1)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 19020414 PUTAMTGRHYOWFH-NRFANRHFSA-N 395.459 2.582 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@@H](C)c4ccccc4)C3)ncc2C1 19459069 DFJUPSHMJXUIJV-MAUKXSAKSA-N 378.476 2.501 0 40 GFAB COc1cc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1 19595084 GGOXEPXUGQRIAV-KRWDZBQOSA-N 392.459 2.839 0 40 GFAB Cc1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)nc(N2CCCCC2)n1 19660389 GWXVLMNRCQZQMZ-LJQANCHMSA-N 395.507 2.992 0 40 GFAB CCn1cc(CN2CCO[C@@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)cn1 19693614 IWTOJGHQIGZPMO-OAQYLSRUSA-N 391.475 2.637 0 40 GFAB Cc1cnc(C(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cn1 19701993 DNBNRCRIHPOKTO-CYBMUJFWSA-N 395.488 2.726 0 40 GFAB CC(C)NC(=O)c1cc([C@H]2CN(Cc3ccnn3C)CCO2)nc2ccccc12 19759058 WSRSWQQZRKWSAE-OAQYLSRUSA-N 393.491 2.680 0 40 GFAB COc1cc(/C=C/[C@H](NC(C)=O)c2cccc(O)c(=O)c2)cc(OC)c1OC 5602329 SAZUUYOLIGRZAJ-FDMDGMSGSA-N 385.416 2.669 0 40 GFAB O=C(CSC1CCCC1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220837824 MYYZSHDCERYVSW-CQSZACIVSA-N 387.509 2.984 0 40 GFAB O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1508415 DOXHYUMNCMNVFP-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)c1C 12337424 GWJLWZXNAFRIHH-GOSISDBHSA-N 397.475 2.892 0 40 GFAB CNC1CCC2(CC1)CN(S(=O)(=O)N1CCCCC1)Cc1ccccc1O2 19592023 WOTRLWBUBZKYBD-UHFFFAOYSA-N 393.553 2.513 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2F)C1 6771055 RXOSZVHDBXYBID-LBPRGKRZSA-N 399.419 2.609 0 40 GFAB Cc1cnc(Nc2cccc([C@H]3CN(CC(=O)NC(C)(C)C)CCO3)n2)s1 2037834663 APTXVGULDMDMBM-OAHLLOKOSA-N 389.525 2.878 0 40 GFAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909276 LGIAFXKGZMDBBW-OAQYLSRUSA-N 387.455 2.864 0 40 GFAB COc1ccc(N2C(=O)N(c3ccc(C)c(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4387452 BJULYDNDKLHPJE-OALUTQOASA-N 386.473 2.924 0 40 GFAB CC(C)NC(=O)CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 6803070 UZDDCDJMQSXRLO-UHFFFAOYSA-N 389.459 2.550 0 40 GFAB CCOc1ccc(N2C[C@@H](CNC(=O)NCCc3ccccc3)CC2=O)cc1 9039555 IHBTWHCWYGZSDD-GOSISDBHSA-N 381.476 2.980 0 40 GFAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 23143672 ZSIFQSLCNRYZIX-UHFFFAOYSA-N 375.446 2.651 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCCN(c3cc4c(nn3)CCC4)C2)c1 585150486 OACJRMIJXRYGOL-LJQANCHMSA-N 394.519 2.994 0 40 GFAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 6664192 QJIFRHQJPMVQHP-OAQYLSRUSA-N 399.450 2.790 0 40 GFAB COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)/C=C/c2ccc(C)cc2C)nn1 40152714 CJMWHRMSARWFGI-UKMAJIJPSA-N 382.464 2.995 0 40 GFAB CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 40144659 DVXKSGWQVORXEF-UHFFFAOYSA-N 391.471 2.658 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157939 ATVUWTANLDAEFU-ZWKOTPCHSA-N 392.496 2.544 0 40 GFAB CCOC(=O)N1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1 21846887 TZLJNELWLOYHFJ-UHFFFAOYSA-N 398.488 2.926 0 40 GFAB O=C(NCCS(=O)(=O)Cc1ccccc1)c1c[nH]nc1-c1ccc(F)cc1 52846768 VCPBJKAFTGQAOS-UHFFFAOYSA-N 387.436 2.561 0 40 GFAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103261823 WLMPPYHRXPUOIQ-GREKMHCPSA-N 376.840 2.941 0 40 GFAB CC(C)c1noc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)n1 22751229 OYEZXCAOAKZYLK-UHFFFAOYSA-N 386.481 2.903 0 40 GFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCC3)C1=O 23947393 TUFAOLQJRSCTIN-QFIPXVFZSA-N 377.444 2.763 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc1OC 24577944 NAIBRZWJRGPHSW-UHFFFAOYSA-N 388.449 2.702 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccc(C)cc2)N1 9192453 VPRRTLAEQZVXGU-HNNXBMFYSA-N 386.839 2.952 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c(OC)c1 1357529 DWLSHDLDQHMFME-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)NCc2ccccc2Cl)cc1 3501784 JHJQMQAWYNSMAW-UHFFFAOYSA-N 389.868 2.733 0 40 GFAB Nc1nc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)nc2ccccc12 25060194 ZWWRNLHOCJOTIR-UHFFFAOYSA-N 381.867 2.823 0 40 GFAB Cc1ocnc1C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 106777896 QYUJAORVCUCSCP-UHFFFAOYSA-N 396.447 2.668 0 40 GFAB CCOc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 12557193 UOXHESDYGBZSER-UHFFFAOYSA-N 389.477 2.585 0 40 GFAB Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1NS(C)(=O)=O 43523332 XQFLWOAIRVNFKT-UHFFFAOYSA-N 389.521 2.618 0 40 GFAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 7666756 XGLVFKIQZLQAIQ-LBPRGKRZSA-N 387.461 2.608 0 40 GFAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC[C@@H]2CCCO2)ccc1O 105941774 MSEHOLJDLBYRGX-VQTJNVASSA-N 396.487 2.623 0 40 GFAB O=C(NC[C@@H](O)C(=O)OCc1ccccc1)Nc1ccccc1C(F)(F)F 95462233 MNGDBXMFXUQNCH-OAHLLOKOSA-N 382.338 2.931 0 40 GFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O 1910800 ZWHZZWJYHDBQQD-GOSISDBHSA-N 398.390 2.628 0 40 GFAB COc1ccc(O)c(C(=O)c2cnn(C(=O)Cn3cnc4ccccc43)c2)c1 12534750 AIKSRDYGVCXGOK-UHFFFAOYSA-N 376.372 2.518 0 40 GFAB O=C(NC1CCC(C(=O)O)CC1)c1occc1CS(=O)(=O)c1ccccc1 95970508 KXIXDSJINPYFCG-UHFFFAOYSA-N 391.445 2.627 0 40 GFAB O=C(CCN1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1ccccc1F 28889650 AMMZKSNRRABVSN-UHFFFAOYSA-N 399.466 2.743 0 40 GFAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2091280 FHCUTHSQKVXCFP-LDDOYCOJSA-N 392.249 2.689 0 40 GFAB biogenic CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 20110940 HRRPNBYQBLXPBK-SFHVURJKSA-N 393.484 2.706 0 40 GFAB c1ccc(-c2cn3nc(NC[C@H]([C@@H]4CCOC4)N4CCOCC4)sc3n2)cc1 12520091 YTZWQLVSPMVZQE-SJLPKXTDSA-N 399.520 2.607 0 40 GFAB C[C@@H]1Oc2ccccc2N(CC(=O)NC(C)(C)c2noc(C(C)(C)C)n2)C1=O 58357609 SIGJGVNCHVPLHP-LBPRGKRZSA-N 386.452 2.533 0 40 GFAB COc1ccc(N(CC(F)(F)F)C(=O)COc2ccccc2C(N)=O)cc1 11320856 ZIKNOFVPUGMWFN-UHFFFAOYSA-N 382.338 2.768 0 40 GFAB COc1ccc2nc(SCC(=O)NCCc3ccc4c(c3)OCCO4)[nH]c2c1 11329398 CDFWFFOZDIAOLI-UHFFFAOYSA-N 399.472 2.794 0 40 GFAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2O)CC1 59361414 PRBGRPHJILEVEX-HNNXBMFYSA-N 399.878 2.747 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1 47013763 QMHZFSDIMLHUNS-QGZVFWFLSA-N 399.495 2.839 0 40 GFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 61556087 ALBJWYZSWALAMT-UHFFFAOYSA-N 390.484 2.781 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)c(OC)c1 3385751 SLUDVNZKDAOLBV-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)cc1Cl 3334895 BEZXRBYHBINLLW-UHFFFAOYSA-N 385.825 2.929 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 3370901 KQOAJWPGHNPWNQ-OAQYLSRUSA-N 383.423 2.608 0 40 GFAB C[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(F)cc1 113967324 WYDVGRUCRIDWDP-STQMWFEESA-N 382.432 2.997 0 40 GFAB COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 12889349 LIDTUMSBVVOEBD-CQSZACIVSA-N 388.489 2.934 0 40 GFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10361577 DXCPRCAWXNGOLJ-UHFFFAOYSA-N 389.477 2.839 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)nc2n1 3516037 JXOYIBUUECLAIH-UHFFFAOYSA-N 390.399 2.693 0 40 GFAB COC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 26532317 HKTHWLCMMMTEDT-UHFFFAOYSA-N 383.809 2.714 0 40 GFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@H]4C2=O)cc1 4044588 FGCRNGIMEMHLIU-QTDGGUCWSA-N 391.423 2.725 0 40 GFAB biogenic O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)c1c[nH]c2ccccc12 4292921 DYXKHXOPQVMHIF-UHFFFAOYSA-N 375.384 2.763 0 40 GFAB COc1cc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)ccc1N1CCCC1=O 14119058 XJUDYYGSUCBCDB-ZDUSSCGKSA-N 395.415 2.930 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(NC[C@@H]2CCCO2)s1 14241946 OKJXXEYCJCMURM-RYUDHWBXSA-N 396.542 2.599 0 40 GFAB CCN(CC)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCC[C@@H]4C 5443365 ZQXFZLBCBWPDGV-LBPRGKRZSA-N 386.525 2.850 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2OC)CC1 4667093 USKZQEUBKOWPPU-UHFFFAOYSA-N 396.292 2.966 0 40 GFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)NC1CCCCC1 4704346 XTWVEXMUEJYYOW-QFBILLFUSA-N 388.508 2.752 0 40 GFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(C)c(C)c1 5615567 AXAKVVNXIHGFNU-UHFFFAOYSA-N 376.478 2.744 0 40 GFAB C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cccn2Cc2cccs2)CC1 93843183 TVSQEUZYEMXKRK-SFHVURJKSA-N 386.565 2.726 0 40 GFAB CN(CC(=O)Nc1ccc(CN2CCCC2)cc1)S(=O)(=O)c1cccs1 9446116 XJEWXYIXFDLZQP-UHFFFAOYSA-N 393.534 2.603 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cc(F)ccc2F)cc1 67172803 NACWUWYZAMPQMP-UHFFFAOYSA-N 383.372 2.554 0 40 GFAB C[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 5991525 NYOQLAHJNLDKGY-LLVKDONJSA-N 387.263 2.525 0 40 GFAB O=C1CN(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2N1 5979385 FWBSVJQMCYNBBU-UHFFFAOYSA-N 378.306 2.848 0 40 GFAB CC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2 7737215 GLNOZIJVWUKXLF-VQHVLOKHSA-N 381.384 2.856 0 40 GFAB COc1ccc(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC 7970058 HKTNDWISEWALQA-UHFFFAOYSA-N 393.461 2.620 0 40 GFAB COc1cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc2c1OCCO2 7939180 TXXSNXAZMVPTIX-QGZVFWFLSA-N 397.427 2.817 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CNC(=O)c2ccccc2Cl)c1 8355513 IWDHWAGERRDVKN-GFCCVEGCSA-N 376.840 2.964 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2ccc(F)cc2F)c1 17836309 XRZULVXEVGKDML-UHFFFAOYSA-N 386.445 2.946 0 40 GFAB CNC(=O)c1ccc(CNC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1 69899659 FLIFHRIJBIFNSI-UHFFFAOYSA-N 396.447 2.503 0 40 GFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@H](O)COCc1ccccc1F)C2=O 8884051 MUNTWGZPNIUVTQ-ZJTDPSCFSA-N 392.471 2.840 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@@H](C(=O)O)c1ccccc1 8986860 DZYKCBQCBXIOEQ-CYBMUJFWSA-N 387.388 2.687 0 40 GFAB Cc1cc(C)n2c(SCC(=O)N[C@@H](C)c3ccc(F)cc3F)nnc2n1 8942551 PQQPMJFGISABKX-NSHDSACASA-N 377.420 2.989 0 40 GFAB CC(=O)c1ccccc1OCCOC(=O)CCc1nc(=O)c2ccccc2n1C 19316829 BESLFQVLEQZJHN-UHFFFAOYSA-N 394.427 2.691 0 40 GFAB CC(C)OCCCNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 9805743 IRWKSYRWBBLOTL-UHFFFAOYSA-N 377.268 2.880 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCCC(=O)N3)N2CCOCC2)o1 84195172 SQLLLOFEUDZYOS-IBGZPJMESA-N 397.475 2.666 0 40 GFAB Cc1nn(C)c(-c2nn3c(-c4ccccn4)nnc3s2)c1Br 72403219 YGPFTLVTVJNPDA-UHFFFAOYSA-N 376.243 2.719 0 40 GFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 408592903 KSCBCSSESDKJGD-LBPRGKRZSA-N 382.869 2.963 0 40 GFAB CC(C)c1ccc(CN2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)cc1 306140556 UXELOJHQQSGGEJ-IEBWSBKVSA-N 379.508 2.913 0 40 GFAB CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccc(-n3cncn3)cc1)N2 306145976 XVAXFTCKCHWZQW-GOSISDBHSA-N 399.495 2.698 0 40 GFAB O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2nc(-c3ccncc3)no2)C1 35314310 YBHZUHIYACVISD-KRWDZBQOSA-N 384.461 2.841 0 40 GFAB Cc1ccc(C[C@@H](CO)N[C@H](C)Cn2cc(Br)ccc2=O)cc1 567633062 MTMNBYBWFVPSBS-PBHICJAKSA-N 379.298 2.501 0 40 GFAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(Cc2ccccc2C)CC1 524701566 MDAVDGGMVVUDTB-QHCPKHFHSA-N 391.515 2.613 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1Cl 224214435 QOAJUNIFDRPVJC-UHFFFAOYSA-N 396.900 2.607 0 40 GFAB C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 223703033 FCLKOFGIMVZSAQ-AWEZNQCLSA-N 380.897 2.853 0 40 GFAB C[C@@H](CNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 223992664 IGWISCLTPKOHBS-ZDUSSCGKSA-N 382.432 2.651 0 40 GFAB CN1C(=O)CO[C@@H](C(=O)Nc2ccc(-n3cccn3)cc2)[C@H]1c1ccc(F)cc1 96181653 CSDQJZZTNCFFGN-WOJBJXKFSA-N 394.406 2.548 0 40 GFAB O=C(CSC[C@H]1CCCCO1)Nc1ccc(-n2ncc3c(O)ncnc32)cc1 608985033 LPWQJZOPEFZGDO-OAHLLOKOSA-N 399.476 2.762 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)n1 612567866 NDZAEYYAONKCTB-QUCCMNQESA-N 380.492 2.978 0 40 GFAB O=S(=O)(C1CCN(c2cc(Nc3ccccc3)ncn2)CC1)N1CCCC1 663880407 RSMHNLLOOJVUKS-UHFFFAOYSA-N 387.509 2.615 0 40 GFAB O=C([C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)c1ccc(OC2CCC2)cc1)N1CCCC1 1615547256 KNHDSIBWDDIJPZ-AABGKKOBSA-N 384.476 2.612 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CC[C@@H](C)[C@H](O)C2)C3)cc1 585104566 QJIQCHIWWZSYJA-HLAWJBBLSA-N 386.536 2.709 0 40 GFAB Cc1cccc(COCC[C@H]2CCOC23CCN(S(=O)(=O)C(C)C)CC3)n1 585093555 IHGYSAVWWVAASL-SFHVURJKSA-N 396.553 2.906 0 40 GFAB CN(C)C1(CNC(=O)c2ccccc2CSC2=NCCS2)CCOCC1 72310195 ZNLFZJZAPCNAJG-UHFFFAOYSA-N 393.578 2.863 0 40 GFAB Cn1cc(-c2ccc3c(c2)OCC[C@H]2CN(C4COC4)CC[C@H]2CC(=O)N3)cn1 1534646930 WVGKJCLLSRXUEI-IRXDYDNUSA-N 396.491 2.535 0 40 GFAB CCOc1ncccc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615119501 IONDLBOELGWFOV-QFIPXVFZSA-N 395.459 2.519 0 40 GFAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3ccccc3)C[C@H]1CO2 1772594516 HTEGLZSADZUKMY-IBGZPJMESA-N 393.487 2.968 0 40 GFAB COc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3N4)CC2)cc1 12117897 MTFSAWILQHTFGR-UHFFFAOYSA-N 391.471 2.901 0 40 GFAB CCOc1ccc(NC(=O)[C@H](C)n2nc(-c3c(C)nn(C)c3C)ccc2=O)cc1 12275854 GKGMIXLNPKYKQF-HNNXBMFYSA-N 395.463 2.859 0 40 GFAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13679298 JTFCUWJOCWUUGU-LBPRGKRZSA-N 379.309 2.671 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 17401687 RIRZCBRHPGKBOL-UHFFFAOYSA-N 380.441 2.783 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccc(C)c3)ncc2C1 19234769 AXARFWZEVYTQAS-OAQYLSRUSA-N 392.503 2.986 0 40 GFAB Cn1nccc1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19289206 FDAIYJFDDIYILV-UHFFFAOYSA-N 390.422 2.915 0 40 GFAB C[C@@H]1CCCN(CC(C)(C)NC(=O)[C@@H](C)N2C(=O)[C@@H](C)Oc3ccccc32)C1 19496528 JXHLWIMWEXMXIB-BRWVUGGUSA-N 387.524 2.816 0 40 GFAB COc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCOCC2)cc1 19901933 GSIPRFBBVIJZOQ-QFIPXVFZSA-N 398.503 2.881 0 40 GFAB Cc1nc(N2CCC(NC(=O)c3c(C)nn(C)c3C)CC2)cc(C(F)(F)F)n1 225726334 XPZXSRDBMPJGGI-UHFFFAOYSA-N 396.417 2.553 0 40 GFAB CCc1ncc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19523380 UQNOTGVWJNSIIQ-AWEZNQCLSA-N 394.928 2.871 0 40 GFAB Cc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)c(Br)c1 5673745 OHBJMQYITVOVLP-UHFFFAOYSA-N 388.225 2.751 0 40 GFAB CC(C)CS(=O)(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1888870067 HXRPMQYLZWPTEJ-UHFFFAOYSA-N 375.494 2.533 0 40 GFAB O=S(=O)(c1ccc(Br)cc1)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888888273 NADMAANOQLBTCT-BETUJISGSA-N 385.327 2.554 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)NC1CCCCC1 4479121 IIKOMMJGUJGSLU-UHFFFAOYSA-N 385.855 2.685 0 40 GFAB CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(OCC)cc2)n(C)c1=O 5083047 IHJAVXUPSXXPSC-UHFFFAOYSA-N 397.479 2.637 0 40 GFAB COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc(OC)c1OC 10329527 VHCNIZCUKWPYKK-INIZCTEOSA-N 376.428 2.884 0 40 GFAB CCOC(=O)[C@H]1CCCN(C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 10383878 VFOSGLKZHFVPSS-BIQFSMEISA-N 379.541 2.855 0 40 GFAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694796 FZECIAXZDKRWLL-UPRAQXHNSA-N 393.447 2.954 0 40 GFAB O=C1OC2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)c2ccccc21 206768873 IPFLFKSBCSWSAM-UHFFFAOYSA-N 399.468 2.539 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cn1 575617362 OFAKVWOPWPOSTG-SFHVURJKSA-N 388.489 2.871 0 40 GFAB COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)cc4)c3n2)cc1 4176093 WQCVACWXPWILTM-UHFFFAOYSA-N 395.806 2.537 0 40 GFAB CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 2801813 MRWQYZRQFBDJGN-RISCZKNCSA-N 385.247 2.653 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2F)CC1 40069444 OKQGODPFVRPKAY-FQEVSTJZSA-N 398.482 2.578 0 40 GFAB CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C)Oc2ccccc2)CC1 40089832 QDMJOLVLXRWDQS-IBGZPJMESA-N 381.520 2.908 0 40 GFAB CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 40106282 ZJLIWSUKXBCRFP-GFCCVEGCSA-N 383.495 2.504 0 40 GFAB Clc1cnc(N2CCN(c3cncc(-n4cccn4)n3)CC2)c(Cl)c1 40153812 JTLDAMSLIFYJNI-UHFFFAOYSA-N 376.251 2.691 0 40 GFAB O=C(NCCCN1CCCCCC1=O)c1nc(N2CCCCC2)ncc1Cl 40141324 YZLLIJDISQDXED-UHFFFAOYSA-N 393.919 2.643 0 40 GFAB O=C(NC1CCN(c2ncccn2)CC1)c1csc(Cc2ccccc2)n1 40106650 YOUCPIZWPYTWDK-UHFFFAOYSA-N 379.489 2.923 0 40 GFAB CC(=O)c1ccc(-n2nnnc2S[C@H]2CCc3ccccc3NC2=O)cc1 32101387 WRGGEROYLONDAX-KRWDZBQOSA-N 379.445 2.911 0 40 GFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32492716 NABQBSZQFDVIPC-FUHWJXTLSA-N 398.434 2.634 0 40 GFAB O=C(CCc1c[nH]c2ccccc12)NCCS(=O)(=O)N1CCc2ccccc21 41469001 WJHFYNNIZLFLEF-UHFFFAOYSA-N 397.500 2.609 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1 22929980 AJTWSELTNVTXMZ-UHFFFAOYSA-N 398.482 2.719 0 40 GFAB CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(c3ccccc3Cl)=NC2=N1 940688 NBKCKEWOTFHHIY-INIZCTEOSA-N 383.814 2.916 0 40 GFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O 981288 KMXYCFJFTPKVEW-MIJYTDESSA-N 393.417 2.802 0 40 GFAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(F)cc1 2257635 FHJFUXNHBYZHST-XHDPSFHLSA-N 378.425 2.664 0 40 GFAB Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1 2311628 WWCWGRNTKZGCRT-UHFFFAOYSA-N 393.516 2.923 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=S)NC[C@H]1CCCO1 2771086 MUYLNQLVHZCFHG-SNVBAGLBSA-N 384.855 2.897 0 40 GFAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1C 4352334 QBUMPCFRJINTEM-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nccs2)cc1 5034108 KWOMPFAVIBVTIJ-JTQLQIEISA-N 376.467 2.637 0 40 GFAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 5342279 WGOYHQNIKLMSKE-FXAWDEMLSA-N 393.487 2.677 0 40 GFAB CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 6214874 CMWFFVKLHUEPRG-UHFFFAOYSA-N 395.868 2.801 0 40 GFAB O=c1c2cn[nH]c2nc(SC[C@H](O)COc2ccccc2)n1-c1ccccc1 6414302 QBFTYIBQHFTLEB-OAHLLOKOSA-N 394.456 2.641 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nc2ccccc2[nH]1 6657547 XUUJRTKYXYDLDA-UHFFFAOYSA-N 384.461 2.908 0 40 GFAB COCCCNC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 6825368 SORAZGUVRLJBBC-UHFFFAOYSA-N 387.461 2.705 0 40 GFAB O=C(CN1CCCc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 6831432 JINXQXSEPFVNIJ-UHFFFAOYSA-N 399.516 2.862 0 40 GFAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCc1cccs1 6941431 LKSXNNTZGWPGLM-OAHLLOKOSA-N 378.519 2.925 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1F 7190606 VCNRPZISDLLESD-LBPRGKRZSA-N 397.497 2.899 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)CC(=O)N1CCOCC1 7607566 CMSYRSJDWMHOFB-KRWDZBQOSA-N 397.475 2.597 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(F)ccc2C)cc1 7990145 SVWMGQKBFXFXBN-UHFFFAOYSA-N 393.436 2.788 0 40 GFAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1ccc2c(c1)OCCO2 8156015 PZTXMECALOPNMR-UHFFFAOYSA-N 388.851 2.590 0 40 GFAB Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2cccc(F)c12 8274602 VRIHGUIMLQVKFD-UHFFFAOYSA-N 392.477 2.969 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1C 8301341 FONAISZYRASFEW-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB CCCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 8475375 OYNAIJKBZLXRBO-UHFFFAOYSA-N 375.446 2.974 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)NCCc1ccc(O)cc1 8515945 YVUQFBDGLKQYIO-SFQUDFHCSA-N 382.441 2.787 0 40 GFAB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 8726221 JOEUBTWJEKVVIN-UHFFFAOYSA-N 396.447 2.963 0 40 GFAB O=c1c2ncccc2n(Cc2ccccc2Cl)c(=O)n1Cc1cccnc1 9001443 MIYJIZMVWBQHLL-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2nnc3ccccn23)c1 9377178 NNYWGYVKMRYMQT-UHFFFAOYSA-N 392.488 2.940 0 40 GFAB CCC(=O)N(c1nnc(SCC(=O)Nc2ccnn2C(C)C)s1)C1CC1 9448142 VPBGUXMXPRHBEX-UHFFFAOYSA-N 394.526 2.952 0 40 GFAB COc1ccc2cc(CNC(=O)N3CCN(c4ncccn4)CC3)ccc2c1 10494620 NUUYUVNRSMWTOD-UHFFFAOYSA-N 377.448 2.670 0 40 GFAB Cc1nc2ccc(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)cc2s1 10784316 OQSISHAVHHVINS-UHFFFAOYSA-N 381.465 2.813 0 40 GFAB O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccccn1 11794292 AZDWUQJIKSCGHC-UHFFFAOYSA-N 397.460 2.906 0 40 GFAB COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1 12126910 QFFRQXOGXGTAOQ-UHFFFAOYSA-N 379.420 2.711 0 40 GFAB CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 12365735 WZBDIRFCCCYJDI-QGZVFWFLSA-N 387.461 2.601 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)Nc1ccc2c(c1)CCC2 12910315 MESJIYMPKGEVMQ-LBPRGKRZSA-N 399.520 2.639 0 40 GFAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 12912470 UDPPOIHETTVBPD-OAHLLOKOSA-N 399.466 2.887 0 40 GFAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)s1 12977953 MLVWQKNMKYGQFM-VIFPVBQESA-N 395.282 2.855 0 40 GFAB CC[C@H](C)[C@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)C(=O)O 13541537 HNUPIHOETWAZJL-QAVIERHMSA-N 399.491 2.818 0 40 GFAB COc1c(C)cc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1C 13849871 WMCRDNUXAYXOIV-UHFFFAOYSA-N 388.489 2.934 0 40 GFAB O=C(NCc1ccccn1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944711 MKOYYXPXNBFHNG-OAHLLOKOSA-N 396.878 2.924 0 40 GFAB Cc1cc(C2=NN=C(NC(C)(C)C)SC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 15452906 HRCVBPLLCKGZRF-CYBMUJFWSA-N 382.555 2.660 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)Cc4cccc(C)c4)[C@H]3C2)cc1 19211753 NRDIFWCGEKNPTC-GIVPXCGWSA-N 398.528 2.671 0 40 GFAB Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(C)C)CC2 19237066 DHMATQGMYYVBSO-FQEVSTJZSA-N 394.519 2.751 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19520064 TURYVTCRAZREMB-INIZCTEOSA-N 380.492 2.883 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccccc2)c1N 19580015 NQPJWDGOWKXGAO-INIZCTEOSA-N 379.420 2.547 0 40 GFAB Cc1nn2c([C@@H]3CCN(C(=O)C4CCCCC4)C3)ccnc2c1Cn1cncn1 19707966 OKOWNTSLFUHKNC-QGZVFWFLSA-N 393.495 2.574 0 40 GFAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N[C@@H](C)c3cnn(C)c3C)c2C)c1 19718086 ZEAAJESYURJYSS-LBPRGKRZSA-N 383.452 2.935 0 40 GFAB CCN(CC)S(=O)(=O)N1CCc2nc(-c3cccc(OC)c3)sc2C1 19719744 WPVJWMUBMWYTCM-UHFFFAOYSA-N 381.523 2.763 0 40 GFAB NC1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 20432473 ZNPVOSQGGWZHRP-UHFFFAOYSA-N 388.114 2.868 0 40 GFAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 22796337 SGUOOJKRQAJGGE-UHFFFAOYSA-N 381.476 2.604 0 40 GFAB Cn1nc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)ccc1=O 22993375 PDUTUXRXYGUVMH-UHFFFAOYSA-N 398.854 2.671 0 40 GFAB Cc1ccccc1CN(C)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 23599299 RAACKUQNPBRXQW-UHFFFAOYSA-N 377.444 2.903 0 40 GFAB CC(=O)Oc1cccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)c1 26779415 WVEPMYALNFCREV-GZTJUZNOSA-N 377.425 2.599 0 40 GFAB CN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 29183785 KUHVISCMGFIEKX-CQSZACIVSA-N 378.379 2.668 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 32836838 IBHIUCLRQUYTOX-UHFFFAOYSA-N 378.469 2.580 0 40 GFAB CCOc1ccccc1COC(=O)c1ccc(CCNS(C)(=O)=O)cc1 32841071 ZTVSWBAXLPQWMZ-UHFFFAOYSA-N 377.462 2.534 0 40 GFAB O=c1ccccn1CCCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 32934611 RLYTYYRJFAUOSV-UHFFFAOYSA-N 394.802 2.889 0 40 GFAB COc1cc(OC)c(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(OC)c1 33681720 UUCSPUQYKDEEJP-NTEUORMPSA-N 386.360 2.808 0 40 GFAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40118484 FGYZEHGBOCSAQP-NRFANRHFSA-N 392.390 2.989 0 40 GFAB O=C(N[C@H]1CCOc2ccccc21)C1CCN(C(=O)NCc2ccco2)CC1 40131108 BAKZDPKXNIRBRG-SFHVURJKSA-N 383.448 2.841 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C(=O)O 42122942 QUVBOVGXFICGKI-UHFFFAOYSA-N 392.433 2.789 0 40 GFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N(C)C)cc2)c1=O 44839856 QVUUWLVKHNAGMS-OAHLLOKOSA-N 394.475 2.839 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCOc3ccccc32)c1 46164882 AHASHKGNMLXJFZ-KRWDZBQOSA-N 392.452 2.766 0 40 GFAB COc1ccc(NC(=O)CN2CCc3[nH]c4ccccc4c(=O)c3C2)c(OC)c1 48988356 VOFCDGYYKRIHPA-UHFFFAOYSA-N 393.443 2.542 0 40 GFAB CC1(C)Oc2ccc(NC(=O)COc3cccc(S(C)(=O)=O)c3)cc2O1 53280157 CPXJBIZVEBTXKJ-UHFFFAOYSA-N 377.418 2.615 0 40 GFAB COc1c(C)cnc(CN(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C 60216170 CVXSOQQKYGLNHX-UHFFFAOYSA-N 383.370 2.546 0 40 GFAB Cc1ccc(C(=O)N2CCC(NC(=O)Cn3nc(C)c(Cl)c3C)CC2)cc1 66676853 KNPMMIVYOJAUFF-UHFFFAOYSA-N 388.899 2.883 0 40 GFAB O=c1c2cnc(NCc3cc(F)cc(F)c3)nc2nc(O)n1-c1ccc(F)cc1 67263679 ASXLWRYAOHKGGV-UHFFFAOYSA-N 399.332 2.911 0 40 GFAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccccc1Cl 67285813 OLWPWAHIASSWSY-KRWDZBQOSA-N 377.872 2.997 0 40 GFAB COc1ccc(CC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1OC 70762390 KLWKZVOVXCCOOW-GOSISDBHSA-N 383.366 2.813 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c(C)c1 70762740 OVYMSKAFZFYCPJ-INIZCTEOSA-N 389.395 2.732 0 40 GFAB O=C(c1cc(Sc2ncccn2)ccn1)N1CCN(Cc2ccccc2)CC1 72243463 UMZWQVFLZADCTB-UHFFFAOYSA-N 391.500 2.981 0 40 GFAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)CSc1nnnn1C 90593179 MRQHBNCRRPYTFA-UHFFFAOYSA-N 394.913 2.704 0 40 GFAB Cc1noc(C)c1CN(C)CCC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 95456905 FIIAISLVVHZYNX-FQEVSTJZSA-N 398.507 2.767 0 40 GFAB Cc1nn(Cc2ccc(F)cc2)c2[nH]nc(NC(=O)[C@H]3CCn4cncc4C3)c12 95972826 DWBMUSZBMVAGTI-AWEZNQCLSA-N 393.426 2.653 0 40 GFAB C[C@@H](NC(=O)c1ccc(Br)c(O)c1)C1(N2CCOCC2)CCCC1 95978868 QOSPKACOBFBCHC-CYBMUJFWSA-N 397.313 2.918 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2c1CCCC2 100466795 XIPKVCHJJFMJEA-LKTQXZJLSA-N 376.456 2.557 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2[C@@H]2C[C@H]3C=C[C@H]2C3)c1 100649019 AHJXUORPBKTCRJ-SLEUVZQESA-N 387.465 2.558 0 40 GFAB OC1(c2ccc(F)cc2)C[C@H]2CC[C@H](C1)N2Cc1nnnn1Cc1ccccc1 100751186 CNLDSZHUORCCES-WOJBJXKFSA-N 393.466 2.875 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@H]4C3C3[C@H]2[C@H]2[C@H]5[C@H](C(=O)[C@H]4[C@@H]35)C(OCOCc3ccccc3)[C@H]12 104289718 IMOUDSNFOYCYFR-UZKRKBELSA-N 388.463 2.730 0 40 GFAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCN(c2cccc(Cl)c2)CC1 182209349 JQLRPRJEDWDJPL-GOSISDBHSA-N 387.867 2.865 0 40 GFAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccccc4C)C3=O)CC2)cc1 215727600 KPQWQNOTVYSQDR-OAQYLSRUSA-N 391.471 2.652 0 40 GFAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 217534761 PBEOQKTUWUYVGP-MTJIALIYSA-N 381.407 2.714 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218599919 KNSPEFDVYGFDKP-XYJFISCASA-N 397.855 2.679 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OC 223876493 ZFVCFSOEKNFNKH-UHFFFAOYSA-N 390.505 2.831 0 40 GFAB C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1cccc2nsnc12 225603376 JNWZAJNWZJOSIB-LLVKDONJSA-N 375.475 2.536 0 40 GFAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247854202 SQAJLAVFEKAKKH-YRXWBPOGSA-N 392.386 2.514 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12 253472139 JTCMLGOIWAOIJJ-KRWDZBQOSA-N 385.441 2.623 0 40 GFAB CC(=O)N1[C@@H]2CN(Cc3ccc(OCC(=O)O)cc3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257209630 BRFDPCTWHYYXIM-ZJDLJICXSA-N 386.492 2.904 0 40 GFAB O=C(Cc1ccccn1)N1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 257218745 DEGWIWDYWILOMH-HXUWFJFHSA-N 378.407 2.820 0 40 GFAB CNC(=O)c1cnn2c(C3CCN(Cc4cc(F)ccc4F)CC3)ccnc12 257275779 NQVSLWCMLDDDRV-UHFFFAOYSA-N 385.418 2.747 0 40 GFAB CN(C)c1ncc(CN2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)cn1 257311390 UJFQBDHUNCBZHX-FQEVSTJZSA-N 394.454 2.712 0 40 GFAB Cc1csc(CN2CC3(C[C@H](COc4ncccc4F)CCN3C)C2)n1 306141745 WFBLZHPTQUHFIT-OAHLLOKOSA-N 376.501 2.961 0 40 GFAB Cc1cc(-c2noc(CN3CC4(CCOCC4)CC[C@@H]3CO)n2)ccc1F 528639614 LKPFPASHGLMAKO-MRXNPFEDSA-N 375.444 2.938 0 40 GFAB Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(=O)n(C)c1 532244719 MGEYDGFWTWDHML-UHFFFAOYSA-N 394.397 2.963 0 40 GFAB COc1ccccc1Oc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)nc1 578843767 DKCBILUJAULSIU-KGLIPLIRSA-N 390.461 2.530 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@@](F)(CO)C1 585080422 OESNQROVPNHOPG-INIZCTEOSA-N 377.865 2.614 0 40 GFAB CC(=O)N1CCN(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC12CCCCC2 677998980 DKGMTLZIVCWYIA-UHFFFAOYSA-N 384.484 2.676 0 40 GFAB COc1cccc([C@@H](CNC(=O)c2cccc3c2OCCNC3)N2CCCC2)c1 1121982967 XMELWODEBWGJAE-OAQYLSRUSA-N 395.503 2.744 0 40 GFAB O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1csc(Br)c1)C1CCOCC1 1615051560 AOENHKJDRKDQCT-NEPJUHHUSA-N 388.283 2.706 0 40 GFAB CC(=O)N1CCC(N2CCC3(CC2)C[C@H](Cc2ccccc2)N(C(C)=O)C3)CC1 1615154964 LBFIGAXONRQNSZ-QHCPKHFHSA-N 397.563 2.943 0 40 GFAB Cc1n[nH]c(C)c1C(=O)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974171 CKFYHOOCDHCZRG-UHFFFAOYSA-N 383.839 2.601 0 40 GFAB Cc1nc(C)c(CN2CCO[C@@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)s1 2056226606 WEESFXZYZYLPAW-FXAWDEMLSA-N 393.553 2.569 0 40 GFAB CN(Cc1ccc(Cl)cc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 23732602 MZWODOZEGGNTEH-UHFFFAOYSA-N 377.853 2.782 0 40 GFAB O=C(/C=C/c1ccccn1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 47519791 SDRLTVGJSKHMEV-CMDGGOBGSA-N 377.400 2.952 0 40 GFAB CC(C)C[C@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 61719827 RISRROMVWBINST-IBGZPJMESA-N 393.443 2.679 0 40 GFAB C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 25061396 VZBOZNJKKNHOKD-LBPRGKRZSA-N 395.431 2.944 0 40 GFAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC(=O)NC1CCCCC1 4251904 NKPAGLMIFWSNOO-ZDUSSCGKSA-N 387.509 2.903 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 4351979 NJDFDZOUZQSKDI-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB CCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(OC)c3)[C@@H]2C1=O 4539445 NYPLHDDUBFFRLX-OTWHNJEPSA-N 382.416 2.657 0 40 GFAB Cc1cccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1C 57670345 IQDBEQLWPSJOIY-FPOVZHCZSA-N 398.555 2.988 0 40 GFAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 8372471 ODKLDHDCOPXPQY-UHFFFAOYSA-N 390.505 2.767 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)c2ccccc2F)c1 58214676 NAVLXGQTGZNQFY-UHFFFAOYSA-N 393.484 2.931 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCC2=CCCCC2)cc1 9910125 JCFOVGFIXKPLIJ-UHFFFAOYSA-N 378.494 2.564 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3csc4ccccc34)CC2)C1 27965847 DVDGSAXQFRDUFM-INIZCTEOSA-N 393.578 2.996 0 40 GFAB CON1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104137681 MIUSIGVYOUEARI-JPVBTGMGSA-N 399.872 2.995 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 36575866 MMYKNDFREXCXGG-SJLPKXTDSA-N 388.443 2.794 0 40 GFAB COc1ccc(NC(=O)c2ccc(COC(=O)c3nccnc3N)cc2)cc1 11291458 POYKJILQNZHTGW-UHFFFAOYSA-N 378.388 2.677 0 40 GFAB C[C@@H]1CCCC[C@@H]1OCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 46056897 IPCLWZQNRUZLNQ-XLIONFOSSA-N 377.504 2.977 0 40 GFAB Cc1nc(CCNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cs1 29550646 CMPTWDPZTXWFBC-UHFFFAOYSA-N 381.523 2.501 0 40 GFAB COc1cccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 10110687 AEGDFNBTHDGPDZ-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 10219632 PLPZJZOEYHPLOM-INIZCTEOSA-N 380.379 2.929 0 40 GFAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)NCc1ccc(Cl)cc1 3355022 JKBNSYRNPRQABM-KRWDZBQOSA-N 385.851 2.509 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)c2cc3c(s2)CCCC3)c(=O)[nH]c1=O 3528718 ONKBYWAOPPGBOG-UHFFFAOYSA-N 390.509 2.526 0 40 GFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 12974931 RQDRSCDNVBEOIO-UHFFFAOYSA-N 398.843 2.593 0 40 GFAB CNC(=O)CNC(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 12921403 YQIPYMCQTMNWNQ-UHFFFAOYSA-N 396.394 2.890 0 40 GFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3)c2C)cc1 71327103 GQOAXVHMNSWQRG-UHFFFAOYSA-N 379.420 2.795 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CCO1 96006497 SVQSBWKZNYGDPA-OAQYLSRUSA-N 389.455 2.797 0 40 GFAB COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1ccc(C)cn1)C(F)(F)F 13563917 OPWGLVZGYRQGLR-KRWDZBQOSA-N 381.354 2.592 0 40 GFAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCCN21 13557681 GJIOGOHEZHMFOV-MANSERQUSA-N 396.393 2.800 0 40 GFAB COc1ccccc1N1CCN(c2cc(C)nc(-n3nc(C)cc3C)n2)CC1 4331218 IDKQCLTVUKEFSR-UHFFFAOYSA-N 378.480 2.923 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)Nc2cccc(OC)c2)cc1 13986113 LQMODXVHXCTMFB-UHFFFAOYSA-N 388.489 2.734 0 40 GFAB Cc1nc(SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)c(C(N)=O)c(C)c1C 14254339 MMNJWUCCOHSCIX-HZMBPMFUSA-N 392.525 2.602 0 40 GFAB COc1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1OC 5426562 IJFZCCMPZSZJEI-INIZCTEOSA-N 383.360 2.532 0 40 GFAB COc1cc(C(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(OC)c1OC 4688599 QCNAYMQWEXXBLQ-SOLBZPMBSA-N 386.492 2.682 0 40 GFAB Cc1c(CC(=O)NC[C@@H](O)c2ccccc2)c(=O)oc2cc(O)c(Cl)cc12 6659704 BTBJQZHEDRXHSA-QGZVFWFLSA-N 387.819 2.853 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 96411538 SEIMMKPYYSVARD-IUODEOHRSA-N 398.381 2.612 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)n1 6941214 WQOKJNBWFLNADF-UHFFFAOYSA-N 378.432 2.680 0 40 GFAB CCOC(=O)N1CCN(c2nccn3nc(-c4cccc(OC)c4)cc23)CC1 67284922 OMLJLRLCOLTKIQ-UHFFFAOYSA-N 381.436 2.683 0 40 GFAB CCNC(=O)CNC(=O)COc1ccc(-c2ccc(Br)cc2)cc1 7334987 LCOPRHNTCQDAMV-UHFFFAOYSA-N 391.265 2.747 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1=O 15842898 AHTUWZKHLVACCR-LLVKDONJSA-N 378.837 2.905 0 40 GFAB C[C@]1(NC(=O)CSc2nc3cc(Cl)ccc3s2)CCS(=O)(=O)C1 7544446 IVHLDMSJUGUKSV-AWEZNQCLSA-N 390.939 2.735 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 16012880 GDTICDSXSBRLJS-KGYLXKDPSA-N 389.455 2.576 0 40 GFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)OCC(=O)c1c[nH]c2ccccc12 7739310 AKUAOJWTZWLTQS-UHFFFAOYSA-N 378.306 2.775 0 40 GFAB O=C(NCCN1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccco1 26142760 OFAYZNHUFKRHJS-UHFFFAOYSA-N 377.444 2.621 0 40 GFAB CCS(=O)(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306143183 XVGTVEVVCVMBMT-UHFFFAOYSA-N 387.505 2.993 0 40 GFAB COc1ccc(OC)c([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 8355294 HZWPRKRHWWGXSR-AWEZNQCLSA-N 396.443 2.957 0 40 GFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3cccc(Cl)c3)C2=O)cc1 8502718 XRBSXYMNUAXKEY-OAQYLSRUSA-N 399.878 2.774 0 40 GFAB COC[C@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 408627868 QNYXJUXHPNUUSI-KRWDZBQOSA-N 390.505 2.650 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cncc(Br)c1 18072211 MRVAYRQLBKTSHB-UHFFFAOYSA-N 394.244 2.762 0 40 GFAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 8638663 YJQYLDLMUIYRFU-LBPRGKRZSA-N 387.871 2.748 0 40 GFAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1ccc(Cl)cc1 69982254 GGWPUOBECZCYPO-UHFFFAOYSA-N 384.852 2.734 0 40 GFAB CN(C)Cc1cc(CC2(NCc3ccc(OC(F)(F)F)cc3)COC2)no1 67897785 OVMXRKCLUWORMI-UHFFFAOYSA-N 385.386 2.736 0 40 GFAB biogenic,in-vitro Cc1cccc(C(=O)N2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 306131188 JYKDFIIFIVGHFC-GOSISDBHSA-N 391.475 2.504 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 30501543 RCODHVIMEIKRPA-ZDUSSCGKSA-N 383.491 2.528 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1C 408555190 FFKYZLHCSSNLLS-KRWDZBQOSA-N 396.553 2.957 0 40 GFAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCO[C@@H](c2cccc(F)c2)C1 516932626 WTXXQYJDCFQLSM-IFXJQAMLSA-N 386.423 2.602 0 40 GFAB CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 306140409 USWWKDNKQHNCOF-UHFFFAOYSA-N 378.538 2.972 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 30868617 ITFHQYOSULEULZ-MRXNPFEDSA-N 398.459 2.536 0 40 GFAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218062781 ZBFDNCIXENKZHR-XYJFISCASA-N 380.849 2.997 0 40 GFAB O=C(CN1CCOCC1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349707 ULFQBLOZZAGJGT-UHFFFAOYSA-N 397.494 2.850 0 40 GFAB Cc1ncccc1Oc1nccnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 72384153 SBQUPPOTXOEZMM-UHFFFAOYSA-N 391.431 2.680 0 40 GFAB C[C@@H]1OCC[C@]12CN(C(=O)Nc1cc(-c3ccsc3)nn1C)C[C@@H](C)O2 564286671 XHNRCXYBUIKERJ-VBHSOAQHSA-N 376.482 2.949 0 40 GFAB Cc1cc(Br)cc(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 45998836 JHFPKUAWUPPVGN-UHFFFAOYSA-N 389.315 2.676 0 40 GFAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3Cl)c(Cl)cc21 223341297 RWUKVXPXCRUQAT-UHFFFAOYSA-N 387.244 2.917 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NCC[C@H](O)c1cccc(Cl)c1 225611805 MCEXHKUSIKIPEY-LBPRGKRZSA-N 389.882 2.590 0 40 GFAB CNc1cc(-n2nc(C)cc2NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)ncn1 569552724 LSSOAEQGHGHCGU-CYBMUJFWSA-N 380.456 2.741 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 220332731 AHYFKXYFHVPODF-HNNXBMFYSA-N 384.542 2.955 0 40 GFAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 226086247 YGJVOBPIEXUMNZ-UHFFFAOYSA-N 382.526 2.792 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCOc2cc(C)ccc2C)ccc1C 224044059 PBKHCTSYHKCOLH-UHFFFAOYSA-N 377.462 2.756 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222994045 MVFIDJPLQGKZBU-MOPGFXCFSA-N 379.489 2.886 0 40 GFAB Cn1cc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)cn1 96053422 DKNOERAYLLUZQH-SFHVURJKSA-N 394.519 2.990 0 40 GFAB CCOc1ccc(-c2nc([C@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1OC 95533918 WZULEIPIBCCNJZ-GOSISDBHSA-N 384.436 2.944 0 40 GFAB COc1ccc(-n2cnc3cc(C(=O)NCc4ccccn4)ccc3c2=O)cc1 94993045 LJJQKJYVTWKKBC-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 247753747 YAEVQIRETLHCFR-OAHLLOKOSA-N 378.444 2.566 0 40 GFAB Cc1cccc(C2(CNC(=O)Cc3ccc(S(N)(=O)=O)s3)CCCC2)c1 588883637 VHOVNUFBJIDLNA-UHFFFAOYSA-N 392.546 2.875 0 40 GFAB CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)s1 661058503 NTRBWYRAXQVLLG-GJZGRUSLSA-N 394.518 2.524 0 40 GFAB C[C@H](NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccc2c(c1)CCCO2 667427839 RTUCUTHNRVHCMX-YOIXIGHSSA-N 394.515 2.881 0 40 GFAB C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H]2CCOC2)CCO1 670329933 GPVHZWKIOVLVBI-HOTGVXAUSA-N 381.480 2.698 0 40 GFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Cn2cccn2)CC1 90560592 BNOQECAIOXLYLJ-UHFFFAOYSA-N 389.399 2.883 0 40 GFAB Cn1cc(-c2nc(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)cs2)cn1 624288099 QHYXORJBBKLJDA-CYBMUJFWSA-N 384.509 2.782 0 40 GFAB C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CNC(=O)c2ccccc21 625996082 OGFIGMHQCJMURN-MAODMQOUSA-N 377.488 2.540 0 40 GFAB O=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 633145999 VQDJMKUSSXWTDK-QFACEVIFSA-N 393.487 2.964 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccc(C(F)(F)F)n1 96099014 BKOVZDWTCQPLSP-UHFFFAOYSA-N 381.333 2.872 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)n(-c2ccc(C(F)(F)F)cn2)n1 647691559 HFDCIOPATNATPR-CMPLNLGQSA-N 397.357 2.969 0 40 GFAB CCCCNC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12 72327113 YNZJXYZHCJJPPV-UHFFFAOYSA-N 389.931 2.536 0 40 GFAB Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 57784261 ZKNYJUBYBRTHIJ-UHFFFAOYSA-N 385.783 2.703 0 40 GFAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 96365819 XJOKTFYJRSMNSQ-INIZCTEOSA-N 385.894 2.577 0 40 GFAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)c4cccc(O)n4)CC3)n2n1 585581263 RTRAIHUDMODQPG-UHFFFAOYSA-N 380.452 2.542 0 40 GFAB CCCc1cc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)no1 1615118829 DVZVMSIEIKVXER-UHFFFAOYSA-N 383.448 2.665 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)s1 1615159137 NQATXPGXJKIBKJ-FQEVSTJZSA-N 385.489 2.798 0 40 GFAB COc1cccc(OC)c1C(=O)N1CCC(c2noc(-c3cnccn3)n2)CC1 12329911 QMFUGAFOEVBBKI-UHFFFAOYSA-N 395.419 2.564 0 40 GFAB CC(C)CN(C(=O)/C=C/c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 12859709 BDBYDIQWWCSGFN-NPQIQWPPSA-N 378.519 2.981 0 40 GFAB Cc1nc(C2CCN(C(=O)c3cnn(C)c3C)CC2)sc1-c1ccncn1 19560757 IMXNQMUVAREXBR-UHFFFAOYSA-N 382.493 2.970 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2Cc2ccccn2)cc1 19573474 JCCBQIVZLCZLNY-FXAWDEMLSA-N 394.500 2.933 0 40 GFAB CC(C)CC(=O)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700889 ZHNRVBDBZNWTGT-HSZRJFAPSA-N 395.503 2.584 0 40 GFAB C[C@H](NC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)c1ccccn1 19751564 DVEQUQWCMDNEEJ-AWEZNQCLSA-N 394.406 2.512 0 40 GFAB Cc1ccc(C2(CN3CCC(NC(=O)CCn4nc(C)nc4C)CC3)CC2)cc1 19208358 VVHHWWCZEVRQSF-UHFFFAOYSA-N 395.551 2.906 0 40 GFAB CCn1nc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c2ccccc2c1=O 4525514 YTZKXHQMSTZRSV-UHFFFAOYSA-N 385.807 2.865 0 40 GFAB Cn1c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc2ccccc21 1138377074 QSQZGOIPVZWMBN-UHFFFAOYSA-N 390.487 2.971 0 40 GFAB O=C(CCc1cccc2ccccc12)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238876998 OHMOOBBCSQDWKH-SFTDATJTSA-N 388.467 2.934 0 40 GFAB COc1ccc(CCNC(=O)N[C@H]2CC[C@H](Oc3ncc(F)cn3)CC2)cc1 245053564 PAGYEMSOPBPLGQ-SAABIXHNSA-N 388.443 2.856 0 40 GFAB COc1c([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc2c(c1OC)OCO2 85411917 YJONAWBPVJVIOK-GFCCVEGCSA-N 397.387 2.744 0 40 GFAB Cc1ncnc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)c1C 2055795788 XXUVWRHXXNGAIU-UHFFFAOYSA-N 396.466 2.887 0 40 GFAB O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)c1ccccc1Cl 206636903 YHLVYHXONDPWDJ-UHFFFAOYSA-N 383.839 2.525 0 40 GFAB COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19134316 HQWOADNYNBSEJQ-GOSISDBHSA-N 396.491 2.572 0 40 GFAB CN(CC(=O)O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 249096663 IJOVMZDPTHBCLN-MGPQQGTHSA-N 382.863 2.980 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCC(C)C)cc1 20068872 PBNKJDOSTXEGRM-HZPDHXFCSA-N 375.498 2.517 0 40 GFAB Cn1/c(=N\C(=O)CCNC(=O)c2ccc(F)cc2F)sc2ccccc21 30764744 ZMQXBAHRLIEZET-RELWKKBWSA-N 375.400 2.765 0 40 GFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100224950 ZCPNQXMNRGZWCC-WBVHZDCISA-N 397.818 2.637 0 40 GFAB Cc1cc(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)c2c(C)noc2n1 32726197 LNKSGECZYQWPDL-INIZCTEOSA-N 393.491 2.780 0 40 GFAB CCCn1c(=O)n(CC(=O)N(C)C[C@H]2COc3ccccc3O2)c2ccccc21 32836588 SUPLZEUCDVKTLW-INIZCTEOSA-N 395.459 2.511 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc2c(s1)CN(C)CC2 32845369 VOITUMBZFQBHAO-UHFFFAOYSA-N 395.488 2.755 0 40 GFAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(N(C)C)nc2)CC1=O 22396051 MNMUXWLDWROSAU-GFCCVEGCSA-N 388.855 2.801 0 40 GFAB O=c1cc(CN[C@@H](CN2CCOCC2)c2ccccc2)nc2ccc(Cl)cn12 22917155 ISSRUIKHMBZZDJ-IBGZPJMESA-N 398.894 2.511 0 40 GFAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1 954690 VDYDVDNWHHFKSE-SFHVURJKSA-N 376.420 2.918 0 40 GFAB CCC[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2120005 IHJUNEHFYGFVBE-CYBMUJFWSA-N 381.812 2.763 0 40 GFAB biogenic COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1N 2366750 KOTAVNVTENMDIW-UHFFFAOYSA-N 393.856 2.953 0 40 GFAB C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)NC(N)=O 2637774 PDGDYWVPIHOZEI-LLVKDONJSA-N 387.490 2.730 0 40 GFAB COc1ccc(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCC3)cc1 2966367 QBWZRIZCVCZJQY-JOCHJYFZSA-N 381.452 2.727 0 40 GFAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 3244746 OOKFHUKSIOEQNQ-QGZVFWFLSA-N 381.428 2.678 0 40 GFAB NS(=O)(=O)c1ccc(CCNc2ncnc3sc4c(c23)CCCC4)cc1 3290694 JOTYZCVHAUKAJD-UHFFFAOYSA-N 388.518 2.872 0 40 GFAB CCCn1nc(C(=O)OCC(=O)N2CCc3ccccc32)c2ccccc2c1=O 3370818 XIPWYCHVIJQWGN-UHFFFAOYSA-N 391.427 2.553 0 40 GFAB COCCNC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Cl 3414406 QNBXSOFYTMPWGU-UHFFFAOYSA-N 388.917 2.669 0 40 GFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 3423867 YKBZIWKTOOCDOB-UHFFFAOYSA-N 385.811 2.809 0 40 GFAB Cc1ccc2c(COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cc(=O)oc2c1C 3458165 MJRJAURTSRAMPJ-FOIQADDNSA-N 387.457 2.907 0 40 GFAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3615013 NYRVKGXWSOMKCW-UHFFFAOYSA-N 388.489 2.800 0 40 GFAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1Cl 4341880 DZJICGDTSPCCSI-UHFFFAOYSA-N 379.807 2.822 0 40 GFAB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3snnc3c2)C1 6386813 MYBWDXHXJOLGMK-GFCCVEGCSA-N 377.539 2.969 0 40 GFAB CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 6623732 VIZINIYQOKUJPM-SPKLELGKSA-N 396.491 2.666 0 40 GFAB biogenic CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(F)cc2)CC1 6906201 OZENBWPLBHLRBH-UHFFFAOYSA-N 380.416 2.955 0 40 GFAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O 6951654 PTCDUZGAQTWNJK-LDADJPATSA-N 379.416 2.925 0 40 GFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7232234 FBJFTZIWHXXQTB-WBVHZDCISA-N 396.443 2.787 0 40 GFAB NC(=O)c1ccsc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 7562481 JSUWOJYSBWNAGL-UHFFFAOYSA-N 390.436 2.980 0 40 GFAB COc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)NC1CC1 7626830 BNOOYRHWQYHVQP-GOEBONIOSA-N 392.521 2.788 0 40 GFAB CCc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 8191562 BBSUESIRXLMGJM-MDZDMXLPSA-N 390.530 2.857 0 40 GFAB COc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1S(N)(=O)=O 8345416 MKBARKJDFJHERQ-UHFFFAOYSA-N 391.836 2.797 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)N1CCCC1 8560337 RMBABXWNZGSBLY-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@H]1c1cccs1 10391649 CWVMNGUAWGORPZ-AWEZNQCLSA-N 392.458 2.838 0 40 GFAB O=C(c1cc(Br)ccc1Cl)N1CCN(c2cnccn2)CC1 11086658 DWTGYWPZSLLVHV-UHFFFAOYSA-N 381.661 2.855 0 40 GFAB O=C(NCCCn1cnc2ccccc21)C1CCN(C(=O)c2ccco2)CC1 12556892 RJTNCLYUIHGNRW-UHFFFAOYSA-N 380.448 2.688 0 40 GFAB COc1cc(OC)c(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1Cl 12634400 HYGXOVBDKAMRGZ-UHFFFAOYSA-N 399.838 2.864 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC(c2nnc3ccccn23)CC1 12881839 PKYFUDIFKMAVIM-UHFFFAOYSA-N 378.404 2.576 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c(C)c1 12927141 OBKJQXLMZLEUHV-GOSISDBHSA-N 376.522 2.801 0 40 GFAB CN(Cc1ccc(Br)s1)C(=O)Cc1n[nH]c(=O)c2ccccc12 13012674 VBIOUARWZHLUGX-UHFFFAOYSA-N 392.278 2.948 0 40 GFAB Cc1ccc(Cl)c2sc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc12 13704969 MEJDZAMMMRXYSH-UHFFFAOYSA-N 387.914 2.868 0 40 GFAB Cc1cccc(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c1C 14093452 CJSUPLUMEAXEMB-UHFFFAOYSA-N 387.509 2.797 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C2CC2)cc1 14093456 GEEXWOKOORJZQU-CQSZACIVSA-N 387.509 2.877 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)Cc1ccc(Cl)s1 14197581 ISWSTKVPZCRUFL-UHFFFAOYSA-N 395.912 2.905 0 40 GFAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)c1 14200758 WYJZYHUUMRYKCQ-UHFFFAOYSA-N 382.449 2.566 0 40 GFAB CC(C)N(CC(N)=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 14927103 MUHHUPFFUZRVIZ-UHFFFAOYSA-N 385.308 2.858 0 40 GFAB COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 15365625 SSJFWIVWAGWMDR-UHFFFAOYSA-N 392.477 2.791 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)COc2cccc3ccccc23)c2ccccc2O1 15617112 PNSXFJMHGROZSV-HXUWFJFHSA-N 376.412 2.759 0 40 GFAB COc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1 16806327 OIZRIUTWNUKNHT-SFHVURJKSA-N 379.412 2.956 0 40 GFAB COc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)cc1Cl 17877374 BHPVUPLXHYOMJW-ZDUSSCGKSA-N 392.820 2.866 0 40 GFAB CC(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1 19017881 HXQGKTUHZAFJQM-HSZRJFAPSA-N 396.462 2.931 0 40 GFAB COc1cccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)c1 19285387 WIYVCANNVPEAJD-IBGZPJMESA-N 381.407 2.940 0 40 GFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(CC(C)=O)C1 19530007 SESBAAPAZCLYJO-NQIIRXRSSA-N 390.455 2.943 0 40 GFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCCN3CC3CC3)nc2n(C)c1=O 19743656 TWHWAHUWLLGVHI-CQSZACIVSA-N 396.413 2.588 0 40 GFAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl 20734915 IXMHIQRLYOIHCE-OAHLLOKOSA-N 383.235 2.547 0 40 GFAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 22310647 LBVFNNNOVHFTAQ-JTQLQIEISA-N 379.309 2.842 0 40 GFAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)c2c(F)cccc2Cl)c1=O 23109188 WPFBHSYVXJZDHR-UHFFFAOYSA-N 377.803 2.666 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3)no2)c1=O 23126748 ZIIUGJMPDAFDAV-UHFFFAOYSA-N 376.416 2.918 0 40 GFAB C[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1 25636779 KUIGVGHYFUKDIP-QGZVFWFLSA-N 377.488 2.990 0 40 GFAB CN1CCN(c2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cn2)CC1 26362394 ITQFSZPCAOBPNQ-FQEVSTJZSA-N 396.491 2.644 0 40 GFAB COc1ccc(CCNC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1 26803522 LSOFYPIFBGXQCY-UHFFFAOYSA-N 381.476 2.702 0 40 GFAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207480 LFYUSSPDYYEJIR-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB NC1=N[C@H](c2ccccc2)C2=C(N1)C(=O)N(c1ccc(Br)cc1)C2 31717065 GDEXKWLYGFZBDC-OAHLLOKOSA-N 383.249 2.709 0 40 GFAB O=c1n(CCSc2nnc(NC3CCCCC3)s2)nc2ccccn12 31841927 GABYQKLEZXFNOS-UHFFFAOYSA-N 376.511 2.884 0 40 GFAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)n2)cc1 32579042 RCZORKLKCPZXMS-UHFFFAOYSA-N 392.459 2.865 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)F)n(CCC(=O)O)c2c1 32918673 LOQBVZJSDDLBRU-UHFFFAOYSA-N 393.387 2.560 0 40 GFAB C[C@H]1CN(C[C@H](O)COc2c(F)cc(Br)cc2F)C[C@H](C)O1 34651273 MEDVQDWRNABAKE-NHCYSSNCSA-N 380.229 2.576 0 40 GFAB CCCc1nnc(SCC(=O)Nc2nnc(C)s2)n1Cc1ccco1 35313906 VHQLUGVKCDMGTO-UHFFFAOYSA-N 378.483 2.763 0 40 GFAB C[C@@H](NC(=O)CN1CCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1F 35436262 PMYVTARBPQDRBV-CYBMUJFWSA-N 393.459 2.662 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 39986825 SRBGWDVDBONJQM-UHFFFAOYSA-N 392.477 2.662 0 40 GFAB CCc1nn2c(nnc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(F)cc1 40391614 SJCHOMDQYSBOMJ-UHFFFAOYSA-N 381.411 2.535 0 40 GFAB CCOc1ccc(NC(=O)CNC(=O)c2nc(SC)ncc2Cl)cc1 46086637 YULUXXXFCGMUIS-UHFFFAOYSA-N 380.857 2.619 0 40 GFAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4c[nH]ccc4=O)c(=O)c23)cc1 52964553 KUEJXGVCRNLIKK-UHFFFAOYSA-N 392.440 2.760 0 40 GFAB Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(C(=O)N2CCCC2)c1 56062754 ZRUSXXGQJKKMCT-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 58166737 AYEGNWKMKNKNJI-MRXNPFEDSA-N 386.496 2.835 0 40 GFAB CC[C@@H](C(=O)Nc1ccccc1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21 64987550 PBSOAQRZTQUQNZ-KRWDZBQOSA-N 378.432 2.969 0 40 GFAB NC(=O)c1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 65565546 QYZCRCPYIFJGND-OAHLLOKOSA-N 379.416 2.712 0 40 GFAB COc1ccc2nnc(CCCC(=O)Nc3nc4c(s3)CCCCC4)n2n1 72405825 FAWBMMNPBWHFGU-UHFFFAOYSA-N 386.481 2.820 0 40 GFAB Cc1cc(C)n(CCN2CCCN(C(=O)Cc3cn(C)c4ccccc34)CC2)n1 77100057 MVKHKBVQMCBIRU-UHFFFAOYSA-N 393.535 2.769 0 40 GFAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)c1 79111248 OYIDMIRTSBYCFU-KRWDZBQOSA-N 375.450 2.682 0 40 GFAB Cc1ccccc1CNC(=O)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 89689366 KNNXOVNYLSQPBB-IRXDYDNUSA-N 375.513 2.846 0 40 GFAB COc1ncncc1NC(=O)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 95461411 NXUUMGQTWRUINZ-AWEZNQCLSA-N 376.844 2.981 0 40 GFAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)C2)n1 95474508 ZALXBUPLKWCELC-SLFFLAALSA-N 385.556 2.691 0 40 GFAB biogenic Cc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(CC4CCOCC4)C3)C2)cc1 96215453 VFMBDJKUQKPSSF-NRFANRHFSA-N 392.565 2.898 0 40 GFAB COCCN1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 96228766 WNEAUELQJMHAMW-HSZRJFAPSA-N 397.519 2.678 0 40 GFAB Cc1ccsc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237922 MHBSCRYYALDHNV-HXUWFJFHSA-N 387.480 2.759 0 40 GFAB CCc1cnc(N2CCc3cc(C(=O)N(C)C)c(NCC(C)C)nc3CC2)nc1 96260511 UBXBSDQWHBJUFC-UHFFFAOYSA-N 396.539 2.809 0 40 GFAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4C)C[C@@H]32)C(=O)N1CC1CC1 96261475 KSVANHHMWGOPJU-ZRCGQRJVSA-N 394.519 2.956 0 40 GFAB CN(C)CC(=O)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 96267309 KWNKDSLZNZXNPB-UHFFFAOYSA-N 378.480 2.741 0 40 GFAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccccc3SC)C2)cc1 96377837 SWEOVAZPNPISSW-UHFFFAOYSA-N 377.487 2.715 0 40 GFAB Cc1noc(C)c1CCC(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119297 REKNNZTVXHTANO-HOTGVXAUSA-N 392.459 2.550 0 40 GFAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(I)c1)[C@@H]1C=C[C@@H]2C12CC2 100237363 GVCLEJYIORRMRZ-XUXIUFHCSA-N 391.208 2.993 0 40 GFAB Cc1[nH]c2nc(NC(=O)c3ccc(F)cc3)nn2c(=O)c1Cc1ccccc1 100650710 PXISAUVHZGCMMF-UHFFFAOYSA-N 377.379 2.708 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220095127 WCLYWDZKNOFZLG-ZDUSSCGKSA-N 382.432 2.917 0 40 GFAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 222605877 PXQMBAISIJERMH-AEFFLSMTSA-N 382.526 2.570 0 40 GFAB COC(=O)CSc1nnc(NS(=O)(=O)c2c(C)cc(C)cc2C)s1 223795102 GSEHVJOLJYZEMY-UHFFFAOYSA-N 387.508 2.529 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 223831168 RVPBXGYJTYBCDT-CQSZACIVSA-N 376.403 2.897 0 40 GFAB CCc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 224374403 FDXYEKRJEKFYEE-UHFFFAOYSA-N 388.489 2.733 0 40 GFAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225119027 DHWGODOATQXBCH-AWEZNQCLSA-N 396.509 2.843 0 40 GFAB CCn1cc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306129135 HVNLOMVIKGVFGF-CTNGQTDRSA-N 394.500 2.720 0 40 GFAB Cc1noc(C)c1CCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390826696 OQYRABHUKHDRMV-GOSISDBHSA-N 394.468 2.752 0 40 GFAB CCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC 503929463 DMZMXVGCMNPARZ-YUXAGFNASA-N 390.524 2.898 0 40 GFAB biogenic Cc1cc(C)n([C@H](C)CC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)n1 539033378 CFBJOSNKQZCYLV-QGZVFWFLSA-N 383.496 2.515 0 40 GFAB COc1ccccc1N1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2F)C1=O 585081103 QWSSNTWUNWIMJP-ZDUSSCGKSA-N 398.843 2.572 0 40 GFAB Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1C 585083817 WPTLZWVPFSLEOS-QGZVFWFLSA-N 394.443 2.807 0 40 GFAB Cc1ccc(OCC2(O)CCN(CC(=O)NCc3cccc(F)c3)CC2)cc1 585274784 ZORSGNMIOFZQON-UHFFFAOYSA-N 386.467 2.656 0 40 GFAB Cc1ccccc1C[C@@H]1CCCN1C(=O)Cn1c(=O)nc(O)c2ccccc21 604088216 VEOQRMYIEDBQBX-KRWDZBQOSA-N 377.444 2.644 0 40 GFAB O=C(N[C@@H](C[C@@H]1CCCOC1)C(=O)O)c1ccc(COc2ccc(F)cc2)o1 630282142 VRVXTYXMZINXAV-GUYCJALGSA-N 391.395 2.997 0 40 GFAB NS(=O)(=O)c1ccc(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)nc1 655277104 NLDWHEIRKDJVTI-GOSISDBHSA-N 385.489 2.877 0 40 GFAB CCNC(=O)N1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)CC1 665606849 MVNVVNGIIHPVIL-UHFFFAOYSA-N 391.475 2.821 0 40 GFAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cccc(-c2cccc(Cl)c2)c1 667051497 HGNZJVVEFPKYQS-DLBZAZTESA-N 394.880 2.941 0 40 GFAB O=C(O)[C@H]1CN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)CCO1 669505552 INFJDUDIEOWYIN-UKRRQHHQSA-N 387.461 2.733 0 40 GFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4onc5c4CCCC5)C[C@H]3C2)nn1 1888875946 QIFKIUUTFILUAX-GASCZTMLSA-N 395.507 2.849 0 40 GFAB O=C(CC1CCOCC1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985414 JGLHISJBCRIYIW-JOCHJYFZSA-N 386.492 2.618 0 40 GFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OCC)c1 997475 GRWHXHHRHFIITA-CYBMUJFWSA-N 399.241 2.744 0 40 GFAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)NC3CC3)nc21 1366233 UCGZMMSFWXSQIN-UHFFFAOYSA-N 392.282 2.650 0 40 GFAB COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)O)c3ccccc3)c(=O)oc2c1 2106377 YXMJGNXPILDVJZ-IBGZPJMESA-N 381.384 2.595 0 40 GFAB biogenic O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1nncs1 2231761 FQEWRROPEDHBOZ-UHFFFAOYSA-N 395.473 2.912 0 40 GFAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCCC1 2459474 LQKYOJLITOYDFL-UHFFFAOYSA-N 391.493 2.734 0 40 GFAB CCOc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4)c(=O)n3n2)cc1 2533440 RJYVCLJCIHPVFH-ATVHPVEESA-N 379.441 2.773 0 40 GFAB CCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 2655492 YJKPJYUAYZMWRL-UHFFFAOYSA-N 396.472 2.636 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2OC)C[S@@](=O)C3)cc1 2724997 FVIXQGJTUQLBCN-NDEPHWFRSA-N 397.456 2.904 0 40 GFAB Cc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2)cc1 3263888 VRDUXTCGOHQDBB-INIZCTEOSA-N 381.450 2.640 0 40 GFAB CSCC[C@H](C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 3285945 HYDKBMMYTMRLEO-OAHLLOKOSA-N 399.424 2.739 0 40 GFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)C2=O 3294446 NKMCGCYKMBOLCS-ADLMAVQZSA-N 381.379 2.727 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)c1C 3448869 NVDBUGPXHWNUPK-DLBZAZTESA-N 380.444 2.613 0 40 GFAB CC(=O)c1ccccc1NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 3504711 OBCBDBPFYBQKCF-QGZVFWFLSA-N 398.440 2.874 0 40 GFAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(N)cc2)c2cc(Br)ccc21 4123025 FMRUKOBNBGJKTC-SFHVURJKSA-N 389.249 2.858 0 40 GFAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351928 HVOXJSDFYILTLK-UHFFFAOYSA-N 380.400 2.752 0 40 GFAB COc1ccccc1N1CCN(C(=O)CCC(=O)NCc2ccc(F)cc2)CC1 4710311 HCWPHPTZJQPHQC-UHFFFAOYSA-N 399.466 2.580 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1 4909411 AFAIINPWCJNJJC-KXBFYZLASA-N 375.488 2.715 0 40 GFAB CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 5241853 QCQQQAMZKCSZHZ-UHFFFAOYSA-N 387.417 2.791 0 40 GFAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc3nccnc3c2)c1 5346444 SIUJXITUAJCNLR-UHFFFAOYSA-N 377.433 2.645 0 40 GFAB COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1OC 5937076 SZIWZADKYRKRIX-HNNXBMFYSA-N 388.489 2.729 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCO2)ccc1C 6623474 SSZIPTGULHITSK-KRWDZBQOSA-N 390.461 2.922 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 6818421 RUYKTGXAMZVHMM-UHFFFAOYSA-N 394.522 2.878 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1 6939286 HJKJVKYNZUKOHD-UHFFFAOYSA-N 380.469 2.855 0 40 GFAB Cc1cc(C)cc(OCc2nnc(SCC(=O)N(C)c3ccccc3)n2N)c1 7314784 NQVJOFWQWOSJSO-UHFFFAOYSA-N 397.504 2.943 0 40 GFAB C[C@@H]1c2ccsc2CCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 7830495 RJUKUYHCIDDBPW-CYBMUJFWSA-N 375.494 2.839 0 40 GFAB CN(C)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1Cl 8262367 XPJXGQKCXHWHOO-KRWDZBQOSA-N 384.867 2.620 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 8344154 FRFAHNOZDCWSIV-UHFFFAOYSA-N 395.507 2.831 0 40 GFAB CCCn1c(O)nnc1SCC(=O)N(Cc1ccco1)CC(F)(F)F 8571900 GBIJGXMAQFSSBX-UHFFFAOYSA-N 378.376 2.670 0 40 GFAB COc1ccccc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 8777340 YVOMCBKBXQJPJV-DZKIICNBSA-N 390.505 2.931 0 40 GFAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc2ccccc2oc1=O 8954864 JAUDDXOGHYZPQH-UHFFFAOYSA-N 393.424 2.508 0 40 GFAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(N2CCCS2(=O)=O)cc1 8988385 WLJKAQCFUAZPEE-UHFFFAOYSA-N 388.445 2.640 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 9035800 UUNNYIGLMRULTC-ZDUSSCGKSA-N 394.880 2.680 0 40 GFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1F 9690260 ASTGSAGNTQCAMJ-UHFFFAOYSA-N 380.441 2.954 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cnc21 9762594 BUDNEXSPTXIWCL-UHFFFAOYSA-N 398.467 2.596 0 40 GFAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)c(F)c1 10518065 ITFHHNTUNLIRFK-UHFFFAOYSA-N 398.406 2.817 0 40 GFAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 11376507 YFPOHONMJKKPNA-UHFFFAOYSA-N 386.477 2.959 0 40 GFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCC1(c2ccccc2)CC1 11750780 TUCUQVFGTWSQMY-UHFFFAOYSA-N 384.501 2.897 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2CC)CC1 12116398 XLTSBSUEIFNQBU-GOSISDBHSA-N 383.540 2.873 0 40 GFAB COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1F 12552683 MULOPPHOWDCLBK-HQIZRNBFSA-N 392.452 2.715 0 40 GFAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(Br)c(C(F)(F)F)c1 12760814 QQUBLCMFZBXPOE-UHFFFAOYSA-N 393.159 2.946 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n(C)n1 13596418 VXIOYFOBYMQFFH-UHFFFAOYSA-N 390.509 2.934 0 40 GFAB Cn1ccnc1[C@H](NC(=O)CN1CCc2ccccc2C1)c1ccc(F)cc1 14084822 SZNFQUKJWNFEMW-OAQYLSRUSA-N 378.451 2.823 0 40 GFAB CC(C)OC(=O)[C@@H]1C(=O)[C@@](C)(O)C[C@@H](C(=O)OC(C)C)[C@H]1c1ccc(F)cc1 15218482 IHNLSGUEYFDDLL-VWXURSGXSA-N 394.439 2.769 0 40 GFAB Cc1ccccc1CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858214 CITAKVMSEJDPAN-UHFFFAOYSA-N 392.864 2.645 0 40 GFAB Cc1nc(-c2cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)n(C)c2)cs1 16234120 BKOPVXJCHRROON-UHFFFAOYSA-N 390.490 2.665 0 40 GFAB COc1cccc(-n2c(=S)[nH]c(O)c([C@H]3NCCc4ccccc43)c2=O)c1 17196535 AXLUQHVWBIKZJT-KRWDZBQOSA-N 381.457 2.844 0 40 GFAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(Br)c1)C2=O 18023535 QEFAQTZDALXSSL-UHFFFAOYSA-N 380.242 2.595 0 40 GFAB O=C(OC1CCCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 19160570 GYSOJPNHAPZDJJ-UHFFFAOYSA-N 376.478 2.723 0 40 GFAB CCSCc1nc(O)c2nnn(C3CCN(Cc4ccc(C)o4)CC3)c2n1 19520505 RRUOIABMZSGWAB-UHFFFAOYSA-N 388.497 2.919 0 40 GFAB COc1cccc(C(=O)NCc2ccc(-c3ccnc4ncnn34)cc2)c1OC 19567439 PFXILFKVEIHJSA-UHFFFAOYSA-N 389.415 2.739 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19590632 ONWWTOFPIBSJMF-CYBMUJFWSA-N 386.883 2.756 0 40 GFAB COc1cccc(-c2ccc(C(=O)N3CCC(CCN(C)C)CC3)c(=O)[nH]2)c1 19660142 CIEUVKRXJSEBBK-UHFFFAOYSA-N 383.492 2.854 0 40 GFAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccco1 19869020 QQCSALDGLBAOQQ-UHFFFAOYSA-N 386.404 2.911 0 40 GFAB Cc1nnc2ccc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)nn12 20739441 FKDWYUZZNKZKSE-UHFFFAOYSA-N 384.871 2.619 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)CC1 21451238 GRJMUFZWTLBRPW-ZDUSSCGKSA-N 378.494 2.927 0 40 GFAB CC(=O)N1C(=N)S/C(=C/c2cc3cc(C)ccc3nc2N2CCOCC2)C1=O 21596574 HVCGNHCHWBOADM-UQZIKHPZSA-N 396.472 2.777 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccc(OC(F)F)cc1 23601640 ZKZIVAGAOWJILG-UHFFFAOYSA-N 389.406 2.934 0 40 GFAB O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 24208564 NNZVVBCEGNDYON-UHFFFAOYSA-N 385.895 2.804 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)n2c(=S)[nH]c3ccccc3c2=O)n1 32194432 FXDHFAZCOXIHKN-CQSZACIVSA-N 385.493 2.640 0 40 GFAB Cc1cc2ncc(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)c(C)n2n1 32900205 GIPHJAKLPAQWKU-UHFFFAOYSA-N 380.376 2.595 0 40 GFAB C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)NCCC1=CCCCC1 32910874 RVVGIPVUWQSEIH-OAHLLOKOSA-N 398.459 2.892 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@@H]2c2cc(C)no2)c(C)c1 32932773 MSSUAEDWUMNTSU-QGZVFWFLSA-N 384.480 2.800 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)Cn3c(=O)c(C)nc4ccccc43)c2c1 33254729 JVJFLUQEXYIKQA-UHFFFAOYSA-N 390.443 2.554 0 40 GFAB biogenic COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cccc(SC)c4)C(=O)[C@H]32)c1 33274058 XLAXDXANAMJCNV-SJORKVTESA-N 398.444 2.924 0 40 GFAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 38740269 SNDLPOFVOBMQCY-UHFFFAOYSA-N 376.376 2.892 0 40 GFAB O=C(CNC(=O)c1ccccc1)OCc1cc(-c2ccc3c(c2)OCCO3)on1 38768534 HLHDBRQDVMAFPQ-UHFFFAOYSA-N 394.383 2.586 0 40 GFAB COc1ccc(-c2nnc(CNS(=O)(=O)c3ccccc3Cl)o2)cc1 41137248 CEALEXZTXLOOTK-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB Cn1c(=O)n2n(c1=O)[C@@H]1C(=C3[C@H]4CC[C@@H]5CC[C@H]([C@@H]32)[C@@H]45)[C@H]2CC[C@@H]3CC[C@@H]1[C@H]23 43761859 OQPJCJPJPNWQBN-LBEFNKGMSA-N 379.504 2.873 0 40 GFAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3ccc(F)cc3F)n2)s1 49030753 XGKSBJPNNFSTCX-UHFFFAOYSA-N 390.415 2.692 0 40 GFAB O=C(COc1ccc(-n2cnnn2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 57471638 KCAXUTSZDUEPSS-UHFFFAOYSA-N 388.431 2.714 0 40 GFAB Cc1ccc(CNC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)cc1 57525939 NSLKJQUTAUKMJW-UHFFFAOYSA-N 393.487 2.834 0 40 GFAB Cc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 58160032 MURNESJGTCOHEY-UHFFFAOYSA-N 392.503 2.648 0 40 GFAB Cc1cccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 60134722 YNXKHTSURHSANR-UHFFFAOYSA-N 390.530 2.620 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(C)cc2C)c(=O)c1=O 67256611 IJCRANVQQLGIPK-UHFFFAOYSA-N 393.443 2.653 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nnc(CC(C)C)o3)CC2)cc1 95957519 TYVIYKJUHOJYKU-INIZCTEOSA-N 392.525 2.644 0 40 GFAB COc1cc(CCNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)ccc1O 95959782 AYMDXFINOSUCTM-UHFFFAOYSA-N 390.871 2.524 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)c2cccs2)cc1 95996956 SNJPKMFPKAQKFJ-OAHLLOKOSA-N 379.503 2.973 0 40 GFAB Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)c1ccccn1)CO2 96221153 DUPMYMSOJOZEES-OAHLLOKOSA-N 385.489 2.645 0 40 GFAB Cc1nn(C)cc1C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1c(C)cc3ccncc31)C2 100145949 SNSHCKOUFBYWSE-ROUUACIJSA-N 393.491 2.585 0 40 GFAB COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)NC4=C3C(=O)OC4(C)C)o2)cc1 101716151 QXUPCTHXNHGYJR-CYBMUJFWSA-N 381.384 2.926 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)s1 224426820 DLYKNHNRTUKOOL-UHFFFAOYSA-N 381.266 2.994 0 40 GFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccc(C)cc3)s2)C1 224962936 YWOSQEYQFDFKJN-CQSZACIVSA-N 394.522 2.514 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225413870 QHRFDYSJGSWBBJ-KRWDZBQOSA-N 388.489 2.935 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H](OC)c1ccc(Cl)s1 225706388 NCCRMWCZTJTTNP-MRVPVSSYSA-N 395.911 2.916 0 40 GFAB O=C(NCc1cccnc1N1CCCC1)c1ccnc(O[C@H]2CCSC2)c1 225724077 VFHRQBRXTSGVKC-KRWDZBQOSA-N 384.505 2.891 0 40 GFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791629 QIUJNVHDNABWHS-UHFFFAOYSA-N 398.941 2.581 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1C 245070537 QODAUZQRTRBINV-SFHVURJKSA-N 387.505 2.741 0 40 GFAB C[C@H]1CCCCN1CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 248014890 FVTYKMBURSYQQQ-YWZLYKJASA-N 393.491 2.773 0 40 GFAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)C[C@]12CCCO2 257333800 YDCBINMSTMRKKL-OXQOHEQNSA-N 387.505 2.937 0 40 GFAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC(C)C 408562691 RKAJZXHYJPZCRN-UHFFFAOYSA-N 388.489 2.650 0 40 GFAB CCOC[C@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CCO1 529056931 BQOXOJSFKCIXTO-LLVKDONJSA-N 382.873 2.550 0 40 GFAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccccc1C(=O)c1ccccc1 575620123 QQOLZPAFSNZUFA-UHFFFAOYSA-N 387.439 2.782 0 40 GFAB Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC(=O)N(C)C)s1 585104771 MFDVSFMXPGAFID-KRWDZBQOSA-N 380.554 2.923 0 40 GFAB CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@@H]1CNC(=O)c2ccccc21 585123556 WXFWPAQLNONIMB-QRWLVFNGSA-N 387.867 2.926 0 40 GFAB CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(F)c(F)cc2C(=O)O)CC1 634876707 UTYJNYFMBQTSJR-LLVKDONJSA-N 382.407 2.676 0 40 GFAB CO[C@@H](CS(=O)(=O)Nc1cc(C(=O)O)c(Cl)cc1C)C1CCOCC1 647133696 SCLJNNAKNWAVAE-HNNXBMFYSA-N 391.873 2.530 0 40 GFAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)c2ccccc21 656645471 ONJGAQFDPPOCMX-INIZCTEOSA-N 391.493 2.923 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](c4cnn(C)c4)C3)cc2)co1 681287343 DTVIGAVCHNFLCR-INIZCTEOSA-N 386.477 2.952 0 40 GFAB Cc1c(CN)c(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)nn1C 1122055887 POMNVPKWRULZDH-UHFFFAOYSA-N 392.385 2.703 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4nnc(C5CC5)s4)CC3)n2)n1 1775996323 XAHWWFBALQLDFG-UHFFFAOYSA-N 397.508 2.616 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC2(CC1)CC(=O)N(C)Cc1ccccc1N2 2037978193 HDXRBLAWGXCBBS-UHFFFAOYSA-N 381.524 2.846 0 40 GFAB COc1ccc2sc(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nc2c1 2086886894 AMOMOOIAXSVQAI-CQSZACIVSA-N 397.447 2.768 0 40 GFAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccccc3F)CC1)C(=O)C2 1094746 BPXNLJUCFQEUQC-FOIQADDNSA-N 394.512 2.673 0 40 GFAB C[C@H]1CN(C(C)(C)CNC(=O)NCCCn2cnc3ccccc32)C[C@H](C)O1 54921667 FFVDFYMBOVVFPI-IRXDYDNUSA-N 387.528 2.613 0 40 GFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1=O 12556558 KPLIKEDTQBAPJO-KGLIPLIRSA-N 378.432 2.944 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2)cc1 3240560 AWVMTVKDMDQDGX-UHFFFAOYSA-N 382.460 2.574 0 40 GFAB COc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 3563578 WUIKPJQEUNMTOZ-UHFFFAOYSA-N 391.326 2.750 0 40 GFAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccc(F)cc1 34895969 AOQAJFYEIJATBP-UHFFFAOYSA-N 387.480 2.772 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 4883477 BLAOZTMTPWSXMP-BEFAXECRSA-N 394.537 2.791 0 40 GFAB COc1ccccc1OCCCN1C(=O)[C@](O)(CC(C)=O)c2cc(C)ccc21 4987941 BEHLBDPIEFOCMP-QFIPXVFZSA-N 383.444 2.986 0 40 GFAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1n[nH]c2ccccc12 6370663 YORSYMUDFMKMCJ-UHFFFAOYSA-N 399.204 2.690 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)cc(C)c2)cc1C 6456582 CTMYIDOFTRROBQ-UHFFFAOYSA-N 376.478 2.880 0 40 GFAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 44324705 FLWLWBVOXLUTQZ-BXUZGUMPSA-N 376.434 2.669 0 40 GFAB COc1ccc([C@H](CNC(=O)c2cn(C)c3ccccc23)N2CCOCC2)cc1 12538002 UQKNYDFNESOIFU-QFIPXVFZSA-N 393.487 2.990 0 40 GFAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1 2377778 CTCGRWOXAZUULX-UHFFFAOYSA-N 386.456 2.595 0 40 GFAB CCCCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1Cl 11566125 XVPTVNGJFCYOPU-UHFFFAOYSA-N 388.917 2.762 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl 28208082 FEGFXLXEARPVSI-UHFFFAOYSA-N 376.906 2.666 0 40 GFAB Cc1cccc(OCCNC(=O)N2CCN(CCOc3ccccc3)CC2)c1 29656148 IKRQQGSNLVORKG-UHFFFAOYSA-N 383.492 2.780 0 40 GFAB CCCN1CCC([C@@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1 11812866 UHSMLRBRMPERRU-LJQANCHMSA-N 378.542 2.817 0 40 GFAB O=c1c2ccccc2nnn1CSc1nnc(C2CC2)n1-c1ccccc1 2621244 VAVBDVTZVWFVMH-UHFFFAOYSA-N 376.445 2.999 0 40 GFAB Cc1ccnn1[C@@H](C)C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 2778014 LZAKFXYFQWXNHC-JQWIXIFHSA-N 385.493 2.727 0 40 GFAB CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 10111609 REWIJKHOUKCGDF-QFIPXVFZSA-N 397.544 2.795 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)C1 48114013 HUJBVXSUMYQDCB-LLVKDONJSA-N 398.843 2.942 0 40 GFAB COCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 3399629 QXAMZEOALZPRFW-UHFFFAOYSA-N 392.477 2.571 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1c3ccccc3CC[C@H]1C)n2C 48353778 WBFADIZCNQQIRV-CQSZACIVSA-N 381.480 2.565 0 40 GFAB Cc1cc(C(=O)N[C@H](C)CN2CCOCC2)c2ccc(Br)cc2n1 48342958 DQCGJHXALMXNNH-CYBMUJFWSA-N 392.297 2.756 0 40 GFAB CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12814088 UVHHZFOYFZQCMG-UHFFFAOYSA-N 376.881 2.748 0 40 GFAB CS(=O)(=O)N1CCC[C@@H](CSc2nnc3sc4ccccc4n23)C1 72312935 DKJXLNGFTRPIFK-LLVKDONJSA-N 382.536 2.708 0 40 GFAB O=C(NCCOc1ccc(F)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13234898 NQMYXOHDKFFHSF-SFHVURJKSA-N 385.395 2.681 0 40 GFAB C[C@H](CO)NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 97296736 POUMNBFJHCHDAF-GFCCVEGCSA-N 391.265 2.741 0 40 GFAB C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C)CCc1ccccc1 9340631 HCMRDCDYCSLCNY-CVEARBPZSA-N 394.475 2.681 0 40 GFAB CCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)CC 6274153 REQFUSNVEYLSOP-LBPRGKRZSA-N 376.482 2.695 0 40 GFAB CCCCNS(=O)(=O)c1ccc(-c2nnc3c4ccccc4c(C)nn23)o1 5306258 GXKCJCOFQJLMTD-UHFFFAOYSA-N 385.449 2.924 0 40 GFAB Cc1ccn2cc(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)nc2c1 24136796 NUVBZPCUDXPAKT-UHFFFAOYSA-N 376.460 2.536 0 40 GFAB CN(C)C(=O)C1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 14238419 FBTHMEOPKXRUIE-CQSZACIVSA-N 375.296 2.533 0 40 GFAB CCOc1cc2c(cc1/C=C/C(=O)N1CCN(C(=O)C3CC3)CC1)O[C@H](C)C2 14229818 LPKYFUOTRILYBO-LQYUOIDQSA-N 384.476 2.503 0 40 GFAB C[C@@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 6649631 ACGUUQXXJOSKSX-LLVKDONJSA-N 385.807 2.611 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CC2 6602366 YKFLDIOJPOCMJL-AWEZNQCLSA-N 398.459 2.860 0 40 GFAB O=C(Oc1ccccc1F)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654507 NFOYCJLNGWGQGI-ZDUSSCGKSA-N 388.420 2.592 0 40 GFAB COC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(Cl)c1 71794494 IASYLULMTSBETM-UHFFFAOYSA-N 388.729 2.946 0 40 GFAB O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccccc1CN1CCCC1=O 71844050 UZLSYSCPTSUUAQ-JOCHJYFZSA-N 391.515 2.915 0 40 GFAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 7312160 NMQVAVLOACFKIF-GFCCVEGCSA-N 392.452 2.766 0 40 GFAB COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C(C)(C)C)o2)CC1 71890534 VOVMRSRNKQHKTI-QGZVFWFLSA-N 392.544 2.997 0 40 GFAB O=C(NCc1ccccc1N1CCOCC1)N1CCO[C@@H](c2ccccc2)C1 84525598 SAGJSOJQIBPLBW-OAQYLSRUSA-N 381.476 2.806 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)OCc2ccc(C)cc2)cc1 8344176 KNJHXAYIAOPGJA-UHFFFAOYSA-N 389.473 3.000 0 40 GFAB CC(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)Oc2ccccc21 8395129 AODPQNWIEJNQPO-BTYIYWSLSA-N 390.443 2.864 0 40 GFAB CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C1=O 8694603 APUVCZANMBRGLQ-ZDWFVDTJSA-N 389.455 2.690 0 40 GFAB COCCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c2ccccc2c1=O 70666432 MUROMGGELXQASJ-UHFFFAOYSA-N 396.443 2.595 0 40 GFAB biogenic CCOC(=O)c1cnc(SC)nc1SCC(=O)Nc1onc(C)c1C 8717003 LFYUKZGRCHJXJY-UHFFFAOYSA-N 382.467 2.711 0 40 GFAB Cc1ccccc1C(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 95351311 ZFYGTWUHJIHGAT-UHFFFAOYSA-N 396.516 2.868 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCCCc2ccccc2)cc1 67198608 YWMDPPMMJVRMKP-UHFFFAOYSA-N 391.471 2.976 0 40 GFAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 28206524 JKBCSOGYQOVXFD-UHFFFAOYSA-N 382.441 2.961 0 40 GFAB CCc1cccc(C)c1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230501 BWQXOVNNTVHSGZ-UHFFFAOYSA-N 376.478 2.971 0 40 GFAB CCOc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc(Br)c1OCC 62715245 MBUJGUXPSZWBTK-FGEFZZPRSA-N 386.242 2.849 0 40 GFAB CN(Cc1cccc(O)c1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F 1561290487 CZNODWSVZJRAOJ-UHFFFAOYSA-N 377.340 2.817 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2)ccc1C 408610069 UUOSOADWERPRES-UHFFFAOYSA-N 390.461 2.722 0 40 GFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c1C 11865550 MVKNCJSTPHJRAC-QGZVFWFLSA-N 375.421 2.576 0 40 GFAB biogenic COc1ccc(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1OC(F)F 529440029 YKNYOXPSKZUWGR-QGZVFWFLSA-N 396.434 2.602 0 40 GFAB COC(=O)c1cccc(Cn2c(=O)nc3n2C(=O)N(c2cccc(Cl)c2)C3)c1 71283930 MENFADHLCIRLED-UHFFFAOYSA-N 398.806 2.521 0 40 GFAB COC(=O)c1nc(NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)sc1C 79483935 LZBBUUFXLCREBQ-HNNXBMFYSA-N 387.461 2.857 0 40 GFAB O=C(O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)Nc2ccccc2)c1 217505358 CTIZJAXOFQJFQQ-OAHLLOKOSA-N 376.434 2.777 0 40 GFAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(C(=O)C4CCOCC4)C3)n2)n1 72382591 LUQLURLHPWQFHR-KRWDZBQOSA-N 396.495 2.678 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1 44840767 VSLLVQSZCTWPKY-UHFFFAOYSA-N 377.462 2.880 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1 225691095 XGLHHZLVWATKQE-UHFFFAOYSA-N 386.445 2.946 0 40 GFAB Cc1cccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 223143988 XRFOWGHUCAGNTB-UHFFFAOYSA-N 380.897 2.726 0 40 GFAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225096394 CTXFAYNJLDXBFC-UHFFFAOYSA-N 381.425 2.819 0 40 GFAB CCOC(=O)C1CCN(C(=O)CCc2nc(-c3cccc(F)c3)no2)CC1 225800768 VYYKARRHRCHGKC-UHFFFAOYSA-N 375.400 2.610 0 40 GFAB CCc1nnc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1 223414987 MSAYXJMDSIDDCZ-GFCCVEGCSA-N 396.419 2.832 0 40 GFAB Cc1nc(CN2CCN(C)C(=O)C23CCN(CC2CCCC2)CC3)cs1 96077201 RFZUPYCSLXYOHL-UHFFFAOYSA-N 376.570 2.750 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(O[C@@H]2CCOC2)c1 182505924 OTNNMAWGLNEZNW-HXUWFJFHSA-N 381.476 2.644 0 40 GFAB COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(Cc2ccccc2)[nH][nH]c1=O 96116304 OZBVDCMBJLXETK-INIZCTEOSA-N 380.400 2.687 0 40 GFAB biogenic Cc1c[nH]c(-c2nccnc2C2CCN(Cc3ccc(O)c(C(=O)O)c3)CC2)n1 257213586 CIEXFQSLFMRTFI-UHFFFAOYSA-N 393.447 2.959 0 40 GFAB O=C(NCCc1nc2ccccc2[nH]1)C(=O)Nc1cc(-c2ccccc2)ns1 543261077 SDQXDBBSRKUXTP-UHFFFAOYSA-N 391.456 2.984 0 40 GFAB O=C(COc1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257299592 RQRQVNXTRXZQRZ-HXUWFJFHSA-N 394.406 2.657 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N[C@H](C)c2cc(O)nc(N3CCC(C)CC3)n2)CC1 257296246 RBWYSOTVHKCAMH-BZUAXINKSA-N 376.501 2.801 0 40 GFAB COc1ccccc1COc1cc(NC(=O)CSc2ncccn2)ncn1 90593702 QDXFPCJONJXMPD-UHFFFAOYSA-N 383.433 2.585 0 40 GFAB CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCc2cnc(N)nc2C1 623322304 CILXCAAXECEZKE-WOJBJXKFSA-N 393.535 2.738 0 40 GFAB Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc4nsnc4c3)cs2)n1 90609353 SWRCSLHBGSFSMT-UHFFFAOYSA-N 384.490 2.923 0 40 GFAB C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 72302126 UIIZJOGFADMHRH-ZWKOTPCHSA-N 379.503 2.636 0 40 GFAB Cc1ccc(NC(=O)CN2CCC[C@@H]2C(=O)NCC(F)(F)F)c(Cl)c1 54991333 ZXTMMOMYAVNAGW-CYBMUJFWSA-N 377.794 2.730 0 40 GFAB Cc1ccc(Cl)cc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58162604 QUBFKQABZWOIMA-UHFFFAOYSA-N 377.857 2.640 0 40 GFAB COc1ccc(C2(C(=O)NCCn3nc(-c4cccs4)ccc3=O)CC2)cc1 12158195 QVYYZJFNDBVFSB-UHFFFAOYSA-N 395.484 2.828 0 40 GFAB CC[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1ccccn1 12276149 KXDXSJIVIOHEPE-AWEZNQCLSA-N 384.386 2.792 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 12472126 HCGXLWVSOFVHNR-PBHICJAKSA-N 382.512 2.524 0 40 GFAB CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 12843600 NOONZRHEDUOKQA-CYBMUJFWSA-N 388.917 2.618 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1C[C@@H]2CCC[C@H](C1)C2(O)c1cccnc1F 19331033 QDGMJJVVOBVCDB-FSWDVZBNSA-N 394.443 2.668 0 40 GFAB C[C@H](CCc1ccc(F)cc1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 19455745 TWSIIEOXWGRDNG-CQSZACIVSA-N 375.444 2.518 0 40 GFAB CN1CCc2nc([C@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 19590337 OUDRCGKXRVVLGI-LJQANCHMSA-N 380.492 2.963 0 40 GFAB Cc1nn(C)c(C)c1CCNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 19714432 GYKOOOVYZWOOJZ-UHFFFAOYSA-N 377.872 2.753 0 40 GFAB CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1cccc(F)c1 19715301 DGZUFUAWYXMYMV-JOCHJYFZSA-N 397.450 2.687 0 40 GFAB Cc1ccc([C@]2(O)CCN(C(=O)c3cccc(N4CCOCC4)c3C)C2)cc1 19716596 RMSGPTNUJOSNRI-QHCPKHFHSA-N 380.488 2.874 0 40 GFAB CO[C@@]1(C(=O)O)CCN(C(=O)c2cc3c(C)c(Br)ccc3[nH]2)C1 630256109 QMZVYBTYVITIEW-INIZCTEOSA-N 381.226 2.555 0 40 GFAB CCc1ncnc(O[C@@H]2CCN(C(=O)NCCc3ccc(OC)cc3)C2)c1F 390828047 NWTVLDRBZPHLFS-MRXNPFEDSA-N 388.443 2.592 0 40 GFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 5865653 JNGNYSKKRCWMSH-LBPRGKRZSA-N 382.869 2.996 0 40 GFAB Cc1ccc(-c2csc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)cc1C 11808856 WMTZQZWWJJNFMW-UHFFFAOYSA-N 394.460 2.509 0 40 GFAB Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1S(N)(=O)=O 20629602 DWBOKFFPMZSEFQ-UHFFFAOYSA-N 395.289 2.750 0 40 GFAB CN(CC1CCN(C(=O)N2CCOCC2)CC1)c1cc(C(F)(F)F)ccn1 1888859560 RLOSHQLMZYOCIH-UHFFFAOYSA-N 386.418 2.701 0 40 GFAB Cc1cccc2sc(N3CCN([C@@H]4CCN(CC(F)(F)F)C4=O)CC3)nc12 1888876348 KYJRCFALMSVOOE-CYBMUJFWSA-N 398.454 2.890 0 40 GFAB O=C(c1cnc2ccccc2n1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888924312 DCYOOAWASOCLHD-QKKBWIMNSA-N 393.422 2.880 0 40 GFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238811799 AMIPYGQVQOUESK-GFCCVEGCSA-N 396.428 2.722 0 40 GFAB CCCN(CCC)CCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 4479630 YBRNECUXSSJWJA-QGZVFWFLSA-N 390.528 2.612 0 40 GFAB Cc1nc2n(n1)-c1nnc(CCCC(=O)NC3CCCCC3)n1-c1ccccc1-2 4906219 JLSDTZKNKRKHGR-UHFFFAOYSA-N 391.479 2.908 0 40 GFAB CCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 4941933 IQAGBWVOLDEPEQ-UHFFFAOYSA-N 394.522 2.773 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 9035650 PLKLANKPSQUFKK-CYBMUJFWSA-N 394.880 2.680 0 40 GFAB COc1ccc(C(=O)NC[C@H](c2cccn2C)N2CCCC2)c(OC)c1OC 11845642 IEBAQFMGIZPIIW-QGZVFWFLSA-N 387.480 2.618 0 40 GFAB Cn1cccc1[C@@H](CNC(=O)Cc1cccc2ccccc12)N1CCOCC1 21152405 PZHQXILTBOQAAE-JOCHJYFZSA-N 377.488 2.911 0 40 GFAB O=C(Cn1ccc2ccccc21)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775965672 JBXJDVHIUIKTNZ-UHFFFAOYSA-N 376.460 2.939 0 40 GFAB C[C@@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23182020 YKXKBSHDWBQMRC-KDOFPFPSSA-N 397.541 2.688 0 40 GFAB O=C(Nc1nc(C(=O)NCCOc2ccc(F)cc2)co1)c1ccsc1 206623580 RBARYVFBSYCDAD-UHFFFAOYSA-N 375.381 2.936 0 40 GFAB CC(=O)c1ccccc1NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 30291500 GBSRXTYZAJDWJB-QGZVFWFLSA-N 392.521 2.650 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116596 UXKGQHAIFNUBIY-DIFFPNOSSA-N 385.386 2.633 0 40 GFAB COc1cccc(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)CC2=O)c1 30660341 SOKCPLLDSRHZGG-CQSZACIVSA-N 378.432 2.583 0 40 GFAB O=C(OCC(=O)N1CCCCC1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 20856169 YLQZRTDVCBSLMV-MOPGFXCFSA-N 398.503 2.938 0 40 GFAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3nccnc3c2)c1 32738432 JIMPKQMXVGWFNE-UHFFFAOYSA-N 384.461 2.961 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)OCc2cccc(F)c2)cc1 32721615 DCVCFCOTFTXWDJ-UHFFFAOYSA-N 393.436 2.830 0 40 GFAB COC(=O)C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1 32802287 RZYOFBGWNOASBB-KRWDZBQOSA-N 384.432 2.604 0 40 GFAB Cc1oc(-c2cccs2)nc1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 32900263 JDLMGVVSDZFBHA-INIZCTEOSA-N 381.457 2.693 0 40 GFAB Cc1ccccc1-c1nnn(CC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 53115412 KHZSFZHVJYYIRW-QGZVFWFLSA-N 393.495 2.794 0 40 GFAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1OC 22465748 AJVDIYZCRNCUAW-HNNXBMFYSA-N 376.478 2.569 0 40 GFAB Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCN(C)CC2)o1 22938378 MBPYURYCUXVHAG-KRWDZBQOSA-N 391.899 2.725 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)n2c1nc1ccccc12 23382045 MXFNMGGTLKSSTK-SFHVURJKSA-N 394.431 2.608 0 40 GFAB COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)n2c1nc1ccccc12 23411146 LSFKHECDKNDSSI-KRWDZBQOSA-N 394.431 2.608 0 40 GFAB O=C1CC[C@@]2(C(=O)Nc3nnc(C4CCC4)s3)N=C(O)c3ccccc3N12 61720824 XCTYGBNIHRFRIA-GOSISDBHSA-N 383.433 2.586 0 40 GFAB Cc1cc(C(=O)NC2CCN(C(=O)[C@@H](Cc3ccccc3)N(C)C)CC2)c(C)o1 106916371 ZZANCHMOAFNDSN-OAQYLSRUSA-N 397.519 2.790 0 40 GFAB COCCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCC1)c1cccs1 4861483 SLHQQVDPJBSJLT-CYBMUJFWSA-N 378.416 2.885 0 40 GFAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cc(OC)ccc1OC 4944570 YUWSVLKHLQVSIN-CYBMUJFWSA-N 389.477 2.774 0 40 GFAB CCOc1cc(C)c(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1C(C)C 6958332 TXGLSKUQCUROIW-DHDCSXOGSA-N 376.478 2.748 0 40 GFAB O=C(Nc1ccccc1N1CCCC1=O)N1CCN(Cc2cccnc2)CC1 43852587 IXLHHBNCTJNUNY-UHFFFAOYSA-N 379.464 2.558 0 40 GFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 56944243 HTKDCVVYXSXLAL-MRXNPFEDSA-N 396.896 2.692 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 8205870 FIFLCNUZKXYKIL-UHFFFAOYSA-N 383.267 2.756 0 40 GFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCc2ccccn2)CC1 35310665 GYLCLFVAKLBDPZ-UHFFFAOYSA-N 399.438 2.649 0 40 GFAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc4nccnc34)C2)cc1 35684064 DJSCGPQIWSBNLE-GOSISDBHSA-N 382.445 2.749 0 40 GFAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 2106260 VTUBHADBCXCYLY-JYEMYBHOSA-N 385.460 2.737 0 40 GFAB aggregator,biogenic CC1(C)[C@@]2(C(=O)NCCN)CC[C@@]1(C)[C@@H](OC(=O)C(Cl)(Cl)Cl)C2 103707956 RFTGQCIGPGBFLY-HERUPUMHSA-N 385.719 2.560 0 40 GFAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccc(F)cc1F 58407017 QXGADALZFJRLHL-NSHDSACASA-N 384.386 2.838 0 40 GFAB C[C@@H]1CCc2ccccc2N1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 25411226 OZCNRMGNEMSPQZ-CQSZACIVSA-N 381.432 2.947 0 40 GFAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cc1 3271782 QERXLXMADUNONL-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB O=C(NCc1cccnc1-n1ccnc1)c1cccc(OC[C@@H]2CCCO2)c1 29910906 XGKDDSLUMUVFFH-IBGZPJMESA-N 378.432 2.755 0 40 GFAB COCCN1C(=O)c2n[nH]c(-c3cccc(OC)c3)c2[C@H]1c1ccc(O)cc1 12321438 SWJFNRYSRXQIGQ-HXUWFJFHSA-N 379.416 2.983 0 40 GFAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 12791716 MYRBWDNKRFWSQL-XIBHIQDMSA-N 382.464 2.637 0 40 GFAB COc1ccc(CCCN(C)S(=O)(=O)c2cc(C(=O)O)cs2)cc1OC 12732210 YICBVVVKQSYOJI-UHFFFAOYSA-N 399.490 2.717 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)NCc2cc(F)ccc2Br)c1 48364382 CYOMMYOUMANNDZ-UHFFFAOYSA-N 386.242 2.922 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 3438589 NFIFPZBXTCALJC-UHFFFAOYSA-N 386.395 2.586 0 40 GFAB Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc(Cl)c1 3446823 WUPVBGPHNREKSD-UHFFFAOYSA-N 387.896 2.763 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 3451615 TVHCEQCMBJMREE-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN(CN2C(=O)NC3(CCCCCC3)C2=O)C1 12972018 HKAQWXIFUYMJIU-KRWDZBQOSA-N 398.507 2.939 0 40 GFAB C[C@H]1CN(S(=O)(=O)CCNCc2cccc(Cl)c2Cl)C[C@H](C)O1 48783575 YMZNYHSEYIGZQS-RYUDHWBXSA-N 381.325 2.522 0 40 GFAB CCN(CC)C(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 13012295 QNVAEXSUDKRRBW-CQSZACIVSA-N 391.331 2.620 0 40 GFAB C[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)Nc1ccc2c(c1)OCCO2 9267069 CTPDSCQHEVJOEQ-GFCCVEGCSA-N 379.372 2.585 0 40 GFAB O=C(NCc1cccc(Cn2cncn2)c1)c1nn(-c2ccccc2)c2c1CCC2 49363444 UCGKDTGILSKUTB-UHFFFAOYSA-N 398.470 2.931 0 40 GFAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1C 4144807 JTYFUNWYLQZNBQ-XLDJFRKUSA-N 389.496 2.996 0 40 GFAB CN(C)C[C@@H](O)Cn1cc(NC(=O)Nc2ccccc2SC(F)F)cn1 97577461 IISDNSKXEAKBKL-GFCCVEGCSA-N 385.440 2.764 0 40 GFAB O=C(COc1cccc2nsnc12)N1CCC[C@H](c2nnc3ccccn23)C1 13719315 QEARDRQZNROJDR-ZDUSSCGKSA-N 394.460 2.519 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)CC1 22234943 YDWWZXJJZOVXDY-UHFFFAOYSA-N 391.855 2.589 0 40 GFAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)n2nnc3ccccc3c2=O)c1 5271440 FGRKIDAONMYQGZ-QGZVFWFLSA-N 380.404 2.558 0 40 GFAB CCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 14022194 QHDUZBATBYTPDE-QGZVFWFLSA-N 385.464 2.613 0 40 GFAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccs2)C1=O 14068469 CSCKNYSRLJKTRZ-FXAWDEMLSA-N 383.473 2.674 0 40 GFAB COc1ccc(CCNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 14229434 RCXYAERWBIKLRI-UHFFFAOYSA-N 381.407 2.661 0 40 GFAB Cc1nn(CC(=O)Nc2ccccc2C(C)(C)C)c(C)c1S(=O)(=O)N(C)C 6586481 QXCVABHUEBKENL-UHFFFAOYSA-N 392.525 2.686 0 40 GFAB COc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)C)nnc1N1CCCCC1 6994211 MFJDOYJNBGKAOY-AWEZNQCLSA-N 389.525 2.835 0 40 GFAB COC(=O)c1c(NC(=O)CCN2C[C@H](C)O[C@@H](C)C2)sc2c1CCCC2 19902529 WAIOBTQWSXYPRE-STQMWFEESA-N 380.510 2.851 0 40 GFAB COC(=O)[C@@H](C)CN(Cc1ccccc1)c1cc(C(F)(F)F)nc2ncnn12 84638250 MHRUFEIXIRWUIW-LBPRGKRZSA-N 393.369 2.959 0 40 GFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCC(=O)CC2)c1 7654685 ITMGOKWQXBMGHE-HNNXBMFYSA-N 398.484 2.632 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 16128033 ZJAZAEGRSGYRJC-UHFFFAOYSA-N 382.507 2.663 0 40 GFAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1F 7911570 MYQIUERNULFBDL-UHFFFAOYSA-N 375.469 2.935 0 40 GFAB CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1 8034307 NTGKKJVWLCKUDL-UHFFFAOYSA-N 380.853 2.850 0 40 GFAB CC(C)OCCN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 72307355 HCQHXUGYBUCQSV-UHFFFAOYSA-N 398.345 2.820 0 40 GFAB CN(CCN1CCOC1=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 29525652 FIUOPQVOPNPYFH-UHFFFAOYSA-N 379.766 2.681 0 40 GFAB COc1ccc2c(CCNc3nc(=O)c(Cc4ccccc4)n[nH]3)c[nH]c2c1 27526280 TUHZPXWHAYGWEF-UHFFFAOYSA-N 375.432 2.900 0 40 GFAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 67285562 MPUSUCFPYAMDNG-QGZVFWFLSA-N 377.872 2.997 0 40 GFAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408681302 HPWRTLBCRJAOPS-PBWTXFEYSA-N 375.428 2.800 0 40 GFAB COCCn1ccc(=O)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1C 524732904 YOPNCPWEDBYPMC-UHFFFAOYSA-N 384.354 2.839 0 40 GFAB O=C(NCC1CCc2ccccc2CC1)N[C@H]1CCN(CC(F)(F)F)C1=O 527770543 FTMGXBMTZWLBJO-INIZCTEOSA-N 383.414 2.644 0 40 GFAB CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](Oc2ccccn2)C1 532432698 RFKIAFKYEBVAIK-KRWDZBQOSA-N 378.432 2.960 0 40 GFAB Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nnc5n4CCN(C)CC5)C3)cc2c1 72370933 KREUTIFGXAHXRV-MRXNPFEDSA-N 393.491 2.840 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)C2CCC2)cc1 72376994 WRELUKXMUHXXGT-QGZVFWFLSA-N 379.464 2.678 0 40 GFAB Cc1cc(C(=O)N2CC(C(=O)Nc3ccc(Br)cc3C)C2)no1 70811150 XTIKNDLHGKXILT-UHFFFAOYSA-N 378.226 2.765 0 40 GFAB COCCn1ccc2ccc(C(=O)N3CCN(CCc4ccccn4)CC3)cc21 79464424 YBRIAYVXASOHLU-UHFFFAOYSA-N 392.503 2.683 0 40 GFAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)c3ncccc23)cc1 223293427 UYRSKZZLDFQRMS-KPKJPENVSA-N 397.456 2.803 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 222936688 ZSLUUKCOQPHVQU-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)cc1 225665278 XRKMREHVVSVRTQ-RTBURBONSA-N 390.505 2.895 0 40 GFAB COC[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242614866 PKVFIFUSPJJAJM-KSZLIROESA-N 381.881 2.632 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCCN2CCC(F)(F)CC2)[C@@H]1c1cccc(C)c1 585138791 YFDZWGSKPAQGTM-MJGOQNOKSA-N 393.478 2.752 0 40 GFAB CCOc1ccc2nc(NC(=O)CN3C[C@@H](OC)[C@@]4(CCCO4)C3)sc2c1 257328585 XGHVEMVBBOPEBZ-VQIMIIECSA-N 391.493 2.513 0 40 GFAB CC(=O)N1CCC[C@@H]2N(C(=O)c3cccc(-c4cncnc4)n3)CCC[C@@]21C 257306403 SUEISYGARPSIDX-FPOVZHCZSA-N 379.464 2.544 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257276263 NTAKLZFMKMNPIV-CQSZACIVSA-N 387.447 2.692 0 40 GFAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 260408877 RJSPTLNEMJIXGR-ZIAGYGMSSA-N 394.468 2.866 0 40 GFAB Cc1nc(O)c2c(n1)CN(c1ncnc(C(F)(F)F)c1Br)C2 641687056 HVADMCBQHYUMFU-UHFFFAOYSA-N 376.136 2.582 0 40 GFAB O=C(O)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc21 669435285 AQUWTVWLYMKOAK-DOTOQJQBSA-N 385.464 2.519 0 40 GFAB O=C(c1onc2c1CCCC2)N1CC[C@@H](Nc2ncnc3c(F)cccc23)C1 1615613789 YJAIFHHVKCLCNJ-GFCCVEGCSA-N 381.411 2.962 0 40 GFAB Cn1ccc([C@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)[nH]n3)C2)n1 390828942 CHOJLOBCZCYVFO-AWEZNQCLSA-N 379.420 2.559 0 40 GFAB O=S(=O)(c1ccccc1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 585105189 PUMKTULPRNGIQS-MRXNPFEDSA-N 376.503 2.547 0 40 GFAB CCN1CCN(CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183606 MNGORGGDDFEZAV-LJQANCHMSA-N 397.494 2.562 0 40 GFAB C[C@@H]1CCCN(C(=O)c2nc3c(o2)CCN(C(=O)c2ccc(N(C)C)cc2)C3)C1 585112577 RKEUEIPTNAYBJV-OAHLLOKOSA-N 396.491 2.811 0 40 GFAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 72334469 PVVLPEBOZPQZRD-WMZHIEFXSA-N 395.478 2.507 0 40 GFAB O=C(Cc1ccccc1Cl)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775995432 VQLVQMORPIVMMC-UHFFFAOYSA-N 385.895 2.867 0 40 GFAB O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@@H]1C1OCCO1 60348874 GGCZISFESRNYOM-GFCCVEGCSA-N 394.262 2.504 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccccc4)nc(C)n32)s1 12115357 OPGGZWDEZJIQIH-UHFFFAOYSA-N 380.473 2.686 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)n1 12186287 SAQOAFZMAUVGHU-UHFFFAOYSA-N 389.818 2.692 0 40 GFAB CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)CC)cc3)sc2C1 15880187 RBVWNRBGXFGEKZ-UHFFFAOYSA-N 379.507 2.567 0 40 GFAB CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 16161736 YPMZXZFSPXIATL-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB CCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19503741 GQNWXYBFYKTXLH-UHFFFAOYSA-N 390.487 2.595 0 40 GFAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19556143 NKJCJEADZXZPHI-DJJJIMSYSA-N 382.512 2.559 0 40 GFAB COc1ccccc1OCC(=O)N[C@H](C)c1nc2c3c(C)c(C)oc3ncn2n1 19559526 WWENTYIJFHDFAL-GFCCVEGCSA-N 395.419 2.752 0 40 GFAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cc[nH]n2)C1 19591545 UINGVFGGFYKEHB-NRFANRHFSA-N 394.500 2.959 0 40 GFAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccncc2)C1 19703522 XAUBFYNRPOIFMI-QFIPXVFZSA-N 376.460 2.917 0 40 GFAB CNc1nc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)nc2c1CN(C(C)=O)CC2 19710598 PACKFHFXNCHFTK-QGZVFWFLSA-N 399.539 2.709 0 40 GFAB CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930060 HHYDDJNUOUMMHC-UHFFFAOYSA-N 396.896 2.676 0 40 GFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[C@@H]3CCCO3)CC1)N2 19128610 VNWYGKBPISUWHD-HRCADAONSA-N 382.455 2.990 0 40 GFAB CCOc1ccc(CN2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)cc1OC 19533719 ZVYZGMKMLMCJDN-KRWDZBQOSA-N 398.507 2.767 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 5935537 WDHUOAMSXMSVHP-UHFFFAOYSA-N 382.869 2.986 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2nc3nc(C)cc(C)n3n2)c1 15544127 ZIQJYHGYAOTQOX-MRXNPFEDSA-N 381.436 2.736 0 40 GFAB COC(=O)c1ccc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)cc1 252549978 RYAOBIOCWJMTMA-UHFFFAOYSA-N 393.428 2.569 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541649 KSNXSKXBNFCESO-UWJYYQICSA-N 384.501 2.994 0 40 GFAB Cc1c(S(=O)(=O)CCNC(=O)NC2CCCCC2)c2ccccc2n1C 8808457 XKQYKSZFQSWPGY-UHFFFAOYSA-N 377.510 2.892 0 40 GFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)cc3C)CC2=O)cc1 9035902 HDNYOXZJSNOSMR-INIZCTEOSA-N 388.489 2.643 0 40 GFAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccccn3)cs2)cc1 9573716 SRDSCDQAGXWKLI-UHFFFAOYSA-N 382.445 2.658 0 40 GFAB COc1cc(NC(=O)Nc2c(C)nc3sccn3c2=O)cc(OC)c1OC 13708022 SMKUSFUENNWYRI-UHFFFAOYSA-N 390.421 2.734 0 40 GFAB CC(C)(C)Sc1ccc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n2n1 16845418 YGCQJOTTZSOKJH-UHFFFAOYSA-N 375.429 2.559 0 40 GFAB Oc1c([C@@H](c2ccco2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 22031012 GTQGVPSIDKMWQW-QGZVFWFLSA-N 395.488 2.997 0 40 GFAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1ccc(-n2cccn2)cc1 1775965785 KSNXJACZBUGJRP-MRXNPFEDSA-N 399.428 2.737 0 40 GFAB O=S(=O)(c1cccs1)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 23125985 VNMSMMBASINTPR-CYBMUJFWSA-N 376.463 2.761 0 40 GFAB COc1ccc(NC(=O)c2c(O)c3cnn(Cc4ccccc4)c3[nH]c2=O)cc1 49411800 LIRUDGNQFURRBL-UHFFFAOYSA-N 390.399 2.739 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](O)(c1cccs1)C1CC1 77099546 WBCLYYPOYYEKDJ-GOSISDBHSA-N 394.880 2.763 0 40 GFAB O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8096317 KPRZGSFOQASZBL-UHFFFAOYSA-N 390.530 2.525 0 40 GFAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cccc(C)c3)C2)n(C(C)C)n1 2332241465 TYAPUKACNZBXOG-CGTJXYLNSA-N 386.496 2.741 0 40 GFAB Cc1ccc(CN2CCCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)cc1 40087001 PLBJJBJKPOKIOK-OAQYLSRUSA-N 378.472 2.811 0 40 GFAB O=C(NCc1cc(F)cc(F)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 30482386 CWJJEKUGGQAAMI-IAGOWNOFSA-N 394.418 2.563 0 40 GFAB CCOC(=O)c1nc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cs1 52237751 OWLYGMGPLRITAJ-UHFFFAOYSA-N 386.477 2.800 0 40 GFAB COc1ccc(CN2CCN([C@@H](C)C(=O)NCc3ccc(C)cc3)CC2)cc1F 32797304 QPBOYWOVHOAMHN-SFHVURJKSA-N 399.510 2.965 0 40 GFAB Cc1cc(C)c(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)c(Cl)c1 23351062 DPWQTXVPNJWKOT-UHFFFAOYSA-N 393.900 2.642 0 40 GFAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1OC 959023 NKSKABAWRBBZPU-ZDUSSCGKSA-N 379.214 2.511 0 40 GFAB CC(C)NC(=O)CSc1nnc2c(n1)[nH]c1ccc(Br)cc12 1366206 JWMAWBMRKUKVAW-UHFFFAOYSA-N 380.271 2.885 0 40 GFAB Cc1ccc(N(CN2C(=O)CCC2=O)CS(=O)(=O)c2ccc(C)cc2)cc1 1587191 OHADAIBUJNGQJO-UHFFFAOYSA-N 386.473 2.648 0 40 GFAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC(C(=O)Nc2ccccc2O)CC1 24983460 NIOYSLHTYHUXMF-MRXNPFEDSA-N 386.452 2.756 0 40 GFAB C[C@@H]1CN(c2ccc(C(=O)Nc3cccnc3-n3cccn3)cn2)C[C@@H](C)O1 25012597 DWEZDJOXBWVLHG-HUUCEWRRSA-N 378.436 2.528 0 40 GFAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 6479987 DPDSCPPYXAWEDR-UHFFFAOYSA-N 399.451 2.866 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(Cl)c2)cc1 6545464 YXLNYJNJWSBKEQ-UHFFFAOYSA-N 398.868 2.616 0 40 GFAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(NC(C)=O)cc3)c(C)n2n1 7666759 XLRTZEAULMWHRT-UHFFFAOYSA-N 398.492 2.993 0 40 GFAB CCc1cccc(OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 7978665 CWJRTVSDECIPSS-UHFFFAOYSA-N 392.477 2.525 0 40 GFAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1csc(-c2ccc(Cl)s2)n1 57386125 AHQNEGRBQOGLMB-QMMMGPOBSA-N 376.912 2.690 0 40 GFAB CCc1cc(=O)n(CC(=O)NCc2ccc(OC)cc2)c(-c2ccc(F)cc2)n1 57508741 BNKYZUHZFBWVLR-UHFFFAOYSA-N 395.434 2.937 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(S(C)(=O)=O)ccc1C 57743368 NMBDFTHAONZTLF-UHFFFAOYSA-N 385.445 2.845 0 40 GFAB Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)c2c(C)c(C)c(=O)oc2c1 2096587 JJCIEEOIMMODHY-DYVFJYSZSA-N 375.421 2.711 0 40 GFAB biogenic CCN(CC)[C@@H](CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)c1ccco1 58279108 XQLPFTNSZBQEDK-YJBOKZPZSA-N 375.469 2.826 0 40 GFAB NC(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1 10323458 RMTWRZPSDFHDLE-KRWDZBQOSA-N 391.518 2.575 0 40 GFAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22332755 WHNDIQIJEDFDPN-INIZCTEOSA-N 390.505 2.955 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 10833716 CQJUZQPDOLKGQT-OAHLLOKOSA-N 396.896 2.869 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(OC)cc3)cc(C(C)C)nc21 36395825 PKBDSDZNVIDFGK-UHFFFAOYSA-N 396.447 2.879 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)COc1ccc(F)cc1Cl 11028309 LOSGWCJMSHZUJL-UHFFFAOYSA-N 380.803 2.930 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@H](c2ccc(F)cc2)C1 29116021 BXKKSLCUKMDHMJ-IBGZPJMESA-N 395.434 2.985 0 40 GFAB CCOc1ccc(CCC(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1 60336071 LVNQTKZDWMDSSN-UHFFFAOYSA-N 388.489 2.515 0 40 GFAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC(C)C 2627691 RREOBVZKCCTYLU-UHFFFAOYSA-N 388.489 2.832 0 40 GFAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)C)cc1 101993609 HFTTWJOZPDZNPT-MDPIYQRISA-N 390.476 2.976 0 40 GFAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCCC2)cc1 20068802 JQRXTXHCBZKXSY-DLBZAZTESA-N 387.509 2.757 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)n2N)cc1 3406372 FUYRLWAXBRHSRR-UHFFFAOYSA-N 375.498 2.551 0 40 GFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ncnc2sccc12 3421597 FQRFHHYRTGPBHN-UHFFFAOYSA-N 383.477 2.603 0 40 GFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)NC1CCCC1 3532289 MFDVVJUXCUHNHS-AWEZNQCLSA-N 397.475 2.727 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccc(F)cc1F 23546319 MRIWTYHLRHZRAF-LBPRGKRZSA-N 379.407 2.739 0 40 GFAB C[C@@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)Nc1ccc2c(c1)CCC2 12910310 MESJIYMPKGEVMQ-GFCCVEGCSA-N 399.520 2.639 0 40 GFAB CC(=O)Oc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 3637252 CQJXSGFZKDREOZ-SXGWCWSVSA-N 397.843 2.944 0 40 GFAB COc1cc(OC)c2[nH]c(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2c1 13007264 YRLBRLYYQPNBCU-UHFFFAOYSA-N 392.415 2.694 0 40 GFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSCc1c(C)noc1C 13010801 BKPOXXIETUNENW-UHFFFAOYSA-N 386.477 2.810 0 40 GFAB COc1ccc(/C=c2/sc3nc4cc(Br)cnc4n3c2=O)cc1 13285797 FOAKGRWXJVRSHA-AWNIVKPZSA-N 388.246 2.623 0 40 GFAB COc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCN(C)C2)cc(OC)c1OC 13719419 NUJLTGJEDBMRSO-UHFFFAOYSA-N 396.447 2.760 0 40 GFAB CC(=O)N1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 49874076 CRJWTUQMVHQQPX-UHFFFAOYSA-N 391.265 2.672 0 40 GFAB O=C(CCCCCn1cnc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 5207235 GMFNEBPDZIOBMC-UHFFFAOYSA-N 375.432 2.894 0 40 GFAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(-c3ccccc3CO)cc2n(C)c1=O 5345878 KBQHPTRBOTZGBW-UHFFFAOYSA-N 395.846 2.841 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C\c2ccc(F)cc2)n2ccccc2=O)C1 4690581 VFXKNEGKUNYYAM-GMYFBSLISA-N 398.434 2.787 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 7055050 UJZAXVAYZCWICO-UHFFFAOYSA-N 382.507 2.826 0 40 GFAB Cc1ccsc1/C=C1/N=C(c2cccc(S(=O)(=O)N(C)C)c2)OC1=O 96814886 DGZXODVZUDNMHT-GXDHUFHOSA-N 376.459 2.651 0 40 GFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1C 8473972 TWBXNSISGDQQHP-UHFFFAOYSA-N 388.493 2.605 0 40 GFAB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cn(C)nc4C)CC3)n2)cc1 92010477 TZYYIPWFWYFZFB-QGZVFWFLSA-N 380.496 2.966 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 408593494 PZMJUUGHERKICV-KPKJPENVSA-N 380.278 2.943 0 40 GFAB CC(C)(CNC(=O)NCC1(N2CCSCC2)CCCC1)N1CCCCC1 97357638 CITAAKQRJLLNOX-UHFFFAOYSA-N 382.618 2.912 0 40 GFAB CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 97379438 UTZUYKYIIUEWHI-LMSYVIICSA-N 390.427 2.695 0 40 GFAB CCN(C(=O)c1ccc(OCc2ccccc2)nc1)[C@@H](C)CS(=O)(=O)CC 84760669 QZHZRQQIJDDFAX-INIZCTEOSA-N 390.505 2.946 0 40 GFAB CN(C(=O)c1cccc(Cl)n1)[C@@H](C(N)=O)c1cccc(Br)c1 95465412 YMVDBYNMMXQAPQ-CYBMUJFWSA-N 382.645 2.796 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306135522 OTZVOYSOMHJTSA-AWEZNQCLSA-N 389.427 2.780 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1noc(C(C)(C)C)n1 33013385 FEORQLFMUMORRL-GFCCVEGCSA-N 395.481 2.500 0 40 GFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218577662 NQWHGFAYSLADNL-SOLBZPMBSA-N 379.865 2.618 0 40 GFAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](n2nc(-c3ccco3)ccc2=O)C1 72334925 ATSMLLOVPVYNAP-AWEZNQCLSA-N 393.447 2.583 0 40 GFAB Cc1cc(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)n2ncnc2n1 35310970 CMAAUNXOVVJYGC-UHFFFAOYSA-N 384.871 2.619 0 40 GFAB CCCCn1c(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O 36848881 YHVVZOXNZCUODB-UHSVVUDUSA-N 378.542 2.937 0 40 GFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C)c1 224892148 QFXXRUMXGXGHEW-IBGZPJMESA-N 390.505 2.865 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 224005587 KPBOSPLGVZLTQI-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(Oc2nccs2)cc1 225647715 KSAWMPKQTVTPEK-UHFFFAOYSA-N 392.440 2.962 0 40 GFAB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 223004825 DATUGYPQXNWFII-HNNXBMFYSA-N 378.469 2.773 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)C3CCOCC3)C2)ncn1 257221306 DOKKGXGDPPDYDX-INIZCTEOSA-N 384.480 2.956 0 40 GFAB CN1CCN(C(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)CC1 257216359 CUFGEUMXIZPNGO-UHFFFAOYSA-N 379.504 2.862 0 40 GFAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 257249232 JHJHKKQIJOTWLB-SHTZXODSSA-N 387.484 2.542 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cnc3c(F)cccc3c1)C2=O 618032934 XTRYJIHSEXLUQB-ODXCJYRJSA-N 384.411 2.813 0 40 GFAB C[C@H]1Oc2ccc(C(=O)C3CCN(c4ncccc4C(=O)O)CC3)cc2NC1=O 647449928 WAKAGXWHBUPPGP-GFCCVEGCSA-N 395.415 2.599 0 40 GFAB O=C(O)Cc1cccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1 653638827 HLHVUMYDQTZJIQ-UHFFFAOYSA-N 381.432 2.871 0 40 GFAB O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@@H](Cc1ccccc1)c1ncco1 654506537 VDFMEUQRAUURFI-ROUUACIJSA-N 377.448 2.932 0 40 GFAB Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1nc([C@@H]3CCCO3)n[nH]1)CCC2 654638257 YCJAJBFNIPJXNU-STQMWFEESA-N 376.486 2.640 0 40 GFAB Nc1ncnc2c1ncn2CCC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 666636169 NLLSJUXCYXLZEN-OAHLLOKOSA-N 389.463 2.686 0 40 GFAB Cc1nnc2n1C[C@H](C(=O)NCC1(c3cccc(Cl)c3)CCOCC1)CC2 676803736 MOENLUOSDXYEFY-OAHLLOKOSA-N 388.899 2.667 0 40 GFAB O=c1c2sc(N3CCCC3)nc2ncn1C[C@H](O)Cc1cccc(Cl)c1 1615580806 AEDITKXFCGFPEH-CQSZACIVSA-N 390.896 2.710 0 40 GFAB COc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1OC 96099394 HEJKBEMTEHIFFV-UHFFFAOYSA-N 389.473 2.782 0 40 GFAB O=C(O)Cn1cc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)nn1 685936799 SYVVACJNLHTONF-YHYXMXQVSA-N 391.840 2.689 0 40 GFAB Cn1cc([C@@H]2CN([C@@H](C(=O)O)c3ccc(Br)cc3F)CCO2)cn1 563541601 NCMHRSQIYUIUAP-LSDHHAIUSA-N 398.232 2.521 0 40 GFAB Cc1ncsc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156540 KTHDYMVQGHEAKC-LJQANCHMSA-N 389.452 2.629 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 5192854 BRGZPRMPBBJZHG-INIZCTEOSA-N 396.443 2.792 0 40 GFAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1ccc(Cl)cc1 12146295 DUVMAZQILWFYBJ-GOSISDBHSA-N 397.862 2.608 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1F 12872994 QSMOWRUFKLNQBF-GFCCVEGCSA-N 392.452 2.766 0 40 GFAB CC(C)OCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 12897627 GNXITBJWZFFTHR-QFIPXVFZSA-N 397.475 2.538 0 40 GFAB O=C(CCCc1nc(-c2cccnc2)no1)N1CCC(Oc2cccnc2)CC1 19341102 XLYCZOYVBVIJTA-UHFFFAOYSA-N 393.447 2.919 0 40 GFAB O=C(C1CCC1)N1CCc2c(nc([C@H]3CCN(Cc4cccs4)C3)[nH]c2=O)C1 19343395 FADMKYRVQMEWAR-HNNXBMFYSA-N 398.532 2.506 0 40 GFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(CC(C)=O)C1 19530009 AJRANGSYDNTGTF-HRAATJIYSA-N 390.455 2.943 0 40 GFAB COc1ncccc1-c1cc(=O)[nH]c([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)n1 19594688 PBHJUKWKNCPJFH-CQSZACIVSA-N 394.406 2.609 0 40 GFAB Cc1cccn2cc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)nc12 19660406 KLFIIIGQJIOCHN-UHFFFAOYSA-N 384.461 2.607 0 40 GFAB CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)NCC(F)F)C1 19703484 HABIRNMSRXKZRZ-LJQANCHMSA-N 377.391 2.504 0 40 GFAB CC[C@@H](C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1)N1CCCC1 19708376 FTFQMZGSYXSPSS-NRFANRHFSA-N 398.551 2.802 0 40 GFAB Cc1nc2ccc(NC(=O)CN(C)Cc3ccccc3N3CCOCC3)cc2[nH]1 19715437 HMXMFVYNTKHQMI-UHFFFAOYSA-N 393.491 2.778 0 40 GFAB CCOc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=C(c3cccs3)NN21 940765 WQSPSNYHBBJYCQ-INIZCTEOSA-N 381.461 2.584 0 40 GFAB COC(=O)c1ccc(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)cc1 225792893 MONOJCIFSGGNCM-UHFFFAOYSA-N 394.475 2.541 0 40 GFAB CC(=O)N1CCCCCCCN(C(=O)CN2CCCC2=O)Cc2ccccc21 643553310 KYSVVPPDZUYVMJ-UHFFFAOYSA-N 385.508 2.955 0 40 GFAB COc1cccc(OC)c1CC(=O)N1CCN(c2c(F)cccc2F)CC1 648435502 VEYDKGOHQCTMOY-UHFFFAOYSA-N 376.403 2.873 0 40 GFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)CC[C@@H]4CCCO4)nn3cn2)cc1 12085205 BTKQKWUUAAPTOK-YOEHRIQHSA-N 395.463 2.936 0 40 GFAB COc1cccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1 12188461 CTBDHAMEGBHWFP-NRFANRHFSA-N 386.467 2.995 0 40 GFAB CC(=O)N1CCC(C(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)CC1 19016759 DGIRFCOUZVZASN-YPAWHYETSA-N 383.536 2.772 0 40 GFAB C[C@H]1CCC[C@H](NC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CC1 682378343 FQELXVAVJMDJSF-GJZGRUSLSA-N 383.514 2.705 0 40 GFAB C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)NCc1ccc2c(c1)OCO2 5291462 XATJSWKHORSOPU-NSHDSACASA-N 393.342 2.878 0 40 GFAB COc1ccc(NC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc1 1888904062 GFSYBWRITHXAKU-IYBDPMFKSA-N 393.491 2.882 0 40 GFAB COc1ccc(NC(=O)N2CCC[C@H](N(C)c3ncc(C)cn3)C2)c(OC)c1 1889191865 BLDDJKMQPALCJN-HNNXBMFYSA-N 385.468 2.935 0 40 GFAB COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccccc3)CC2)cc1 22820663 FJWFVNPUQXCEHS-SFHVURJKSA-N 383.492 2.719 0 40 GFAB COC(=O)c1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 244942757 CYKSTLZEUAYUID-QZTJIDSGSA-N 377.400 2.880 0 40 GFAB COc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037989053 STGSYNJBYLWTBN-NRFANRHFSA-N 385.439 2.627 0 40 GFAB Cc1ccsc1S(=O)(=O)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056223621 WRJHHBYCPFAYQB-GOSISDBHSA-N 392.550 2.918 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(F)cc5F)C[C@H]4C3)n1)CCC2 2087000754 OGRHNRPPSBZLPQ-OKILXGFUSA-N 384.430 2.760 0 40 GFAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc1C 10324749 XEHCVRHZNOYCFU-UHFFFAOYSA-N 385.445 2.565 0 40 GFAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 17246297 ZGQRVVITNSUPJT-OKILXGFUSA-N 383.477 2.543 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc3c(c1)CCC(=O)N3)C(=O)C2 101324378 QZACXLPKXSUMHI-ORAYPTAESA-N 376.478 2.708 0 40 GFAB CSc1ccc(C(=O)Nc2cc3c(cc2F)N(C)S(=O)(=O)N3C)cc1 575613462 SIDLAMXQWOJVCN-UHFFFAOYSA-N 381.454 2.931 0 40 GFAB Cc1cc(O[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc(C)n1 575609542 MYQUTIULLXMVHO-HNNXBMFYSA-N 381.885 2.979 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(OC)cc3)C2=O)cc1 49384211 TUIWWQAVPQGSFO-UHFFFAOYSA-N 397.431 2.753 0 40 GFAB Cc1ccc(F)cc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O 51316919 LOLAPKDBIZLZPH-UHFFFAOYSA-N 395.369 2.783 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1 642804 POFFOBFCNPOEMU-AWEZNQCLSA-N 395.444 2.600 0 40 GFAB COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)c1 915035 HNVOPFHBEVSTNK-GOSISDBHSA-N 392.419 2.618 0 40 GFAB C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 2661685 XWXFJKADGTYVGE-ZDUSSCGKSA-N 390.386 2.985 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 2923437 AYZBTWJQMJTFKD-QGZVFWFLSA-N 378.425 2.626 0 40 GFAB CN1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1 3236136 DXBSQFDYODDFGB-UHFFFAOYSA-N 383.473 2.926 0 40 GFAB COc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O 4036245 CDJURTHRWRKAMM-SFHVURJKSA-N 387.461 2.764 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1 4093123 ONVPPLUILUNLRZ-UHFFFAOYSA-N 385.478 2.661 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O 4250680 FUBVLIZGADYIPK-UHFFFAOYSA-N 385.855 2.819 0 40 GFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 4971417 YOCTZTCFRMQBST-UHFFFAOYSA-N 382.485 2.733 0 40 GFAB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 5954115 ZQMYMMLWEHGEMP-SRVKXCTJSA-N 376.478 2.967 0 40 GFAB O=C(CSc1nnc2ccccn12)Nc1cc(Cl)ccc1-n1cncn1 6114857 DMZVTTZAMUCVQF-UHFFFAOYSA-N 385.840 2.694 0 40 GFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 6650209 PQOFFYZMNUHFCM-NTEUORMPSA-N 395.433 2.789 0 40 GFAB C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCCC)C2=O)cc1OC 6879627 VVGLZRSPKAYPJX-WJDWOHSUSA-N 390.461 2.823 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 7077957 NDKIGOJAIWIVFP-CEITULEQSA-N 395.433 2.787 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 7295845 GUMRSAQNYZVNCF-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H]2C=CCC2)cc1 7938106 KKNZPEWLKQCKDT-HUUCEWRRSA-N 394.493 2.600 0 40 GFAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c1 7971503 BNDZCOCWHGJGAH-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1 8413680 XOBTWOWCZJLJHL-UHFFFAOYSA-N 398.415 2.682 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 8778321 PYSGBMYBDRVZRK-MRXNPFEDSA-N 383.448 2.749 0 40 GFAB COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCC1 9730241 BPTKLLRFJZJEAV-UHFFFAOYSA-N 395.868 2.780 0 40 GFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 10536721 ORDMMANYKMBTCX-QHCPKHFHSA-N 398.422 2.815 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11154276 TUVFCOHWPSAZBD-UHFFFAOYSA-N 397.500 2.680 0 40 GFAB CCC(=O)Nc1ccc(SCC(=O)Nc2cc(OC)cc(OC)c2)nn1 11739071 IFPREOUQAKJAJO-UHFFFAOYSA-N 376.438 2.573 0 40 GFAB COc1cccc(COc2cn(C)c(C(=O)Nc3nc(C)cs3)cc2=O)c1 12167331 DIJZSMUGHICDJU-UHFFFAOYSA-N 385.445 2.990 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)cc1Cl 12738368 WRFBHKFIEWASFL-UHFFFAOYSA-N 380.857 2.924 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 12790177 ACGFHOWQZGOSMU-BHIYHBOVSA-N 378.538 2.867 0 40 GFAB CC(=O)Nc1cccc([C@H](C)N(CC(=O)N2CCNC2=O)Cc2ccccc2)c1 12899826 LIUGGHLOKOCUMZ-INIZCTEOSA-N 394.475 2.760 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 12997820 OPKMDEWEGVXTMV-GOSISDBHSA-N 398.459 2.806 0 40 GFAB CC(=O)c1ccc(OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 13010830 IMSNCBUBFPLEGF-UHFFFAOYSA-N 396.491 2.839 0 40 GFAB CCc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 13984504 HQHGOQGOPTVXTI-UHFFFAOYSA-N 389.477 2.515 0 40 GFAB COc1ccc([C@]2(C)NC(=O)N(Cc3nnc(-c4cccs4)o3)C2=O)cc1 14128871 VZSMUWFJHIACEA-SFHVURJKSA-N 384.417 2.774 0 40 GFAB COc1cc(C(=O)Nc2cccc(SC)c2)cc(OC)c1OCC(N)=O 14229842 SMHDYEUERBLVAS-UHFFFAOYSA-N 376.434 2.542 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCN(C(=O)C(C)C)CC1 14253892 RIBVFRYFVOYURT-LJQANCHMSA-N 376.541 2.832 0 40 GFAB C[C@@H](C(=O)O[C@H](C)C(=O)c1ccc(F)c(F)c1)N1C(=O)c2ccccc2C1=O 16208076 CENIYJFATYCZJY-WDEREUQCSA-N 387.338 2.764 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnnn1C[C@@H]1CCCO1 16412322 HPBYOESAKLYZRU-YPMHNXCESA-N 381.889 2.933 0 40 GFAB COc1ccc(C(=O)Nc2cc(O)nc3nc(Cc4ccccc4)nn23)cc1 16995924 TXTHKSYVGDXDHR-UHFFFAOYSA-N 375.388 2.682 0 40 GFAB O=C(OCc1cc(=O)n2ccccc2n1)C(O)(c1ccccc1)c1ccccc1 18034871 GSAXKGYJHMGKJP-UHFFFAOYSA-N 386.407 2.674 0 40 GFAB COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccccc2)cc1 19285411 RTCXDCGVCIAIQW-HXUWFJFHSA-N 377.444 2.730 0 40 GFAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)c2ccncc2)C[C@@H](C)O1 19497658 OIKJAEJUAXVTEB-RKVPGOIHSA-N 395.507 2.929 0 40 GFAB COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 19552351 VYGBZDQBRCOQDH-MRXNPFEDSA-N 394.479 2.665 0 40 GFAB COc1ccc(CN(Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)cc1 19554827 FNRUVFAZGGOKCC-OAQYLSRUSA-N 398.507 2.503 0 40 GFAB CN(C(=O)CC[C@@H]1CCCO1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586678 SWUKOGTVTZQWRA-JQHMZKTJSA-N 386.492 2.908 0 40 GFAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc3oc(=O)n(C)c3c1)cn2C 19658526 XMTBEPVAKJBNKJ-ZDUSSCGKSA-N 393.443 2.993 0 40 GFAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2C(=O)COc1ccccn1 19712646 GQFVIMBEBRZKQJ-SVMVAKDDSA-N 379.460 2.514 0 40 GFAB Cc1cc2cc(NC(=O)CCn3cnc4c(cnn4C)c3=O)cc(Cl)c2o1 19716252 SQXSYEZRRDIFLO-UHFFFAOYSA-N 385.811 2.867 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl 20454568 NXMPGUMINLVBIC-INIZCTEOSA-N 396.852 2.514 0 40 GFAB CCc1ccc(N2C(=O)N(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 20581494 AHBXBHKZHVWMMF-OALUTQOASA-N 388.464 2.996 0 40 GFAB Cc1cc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)ccc1Br 22307977 RYMVDPUZYRQOJN-GFCCVEGCSA-N 398.278 2.876 0 40 GFAB O=C(Nc1ccc(CNS(=O)(=O)N2CCCCCC2)cc1)c1ccco1 22413759 UKNJLAIYARBIOL-UHFFFAOYSA-N 377.466 2.742 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)CC2 22609301 REHCHAJLVUNCSP-QGZVFWFLSA-N 384.407 2.533 0 40 GFAB COc1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CCN(C)CC2)cc1 22794204 YEMASFNVWFPTJZ-IBGZPJMESA-N 389.446 2.692 0 40 GFAB Cc1cc(C(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(C)[nH]1 23626797 DGYFMIYSYFLYDL-UHFFFAOYSA-N 388.899 2.724 0 40 GFAB O=C(Cn1nc2ccccn2c1=O)N(Cc1cccs1)Cc1cccs1 24469052 CNQRAIINCXONSQ-UHFFFAOYSA-N 384.486 2.848 0 40 GFAB COC(=O)c1cc(NC(=O)CCn2c(=O)oc3ccccc32)c(F)cc1F 24758541 IVTNXRAQVMOHFD-UHFFFAOYSA-N 376.315 2.688 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1c(F)c(F)c(F)c(F)c1F 27551626 NEEBCUVHGHPNAL-UHFFFAOYSA-N 378.322 2.592 0 40 GFAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)C[C@H](C)C1 28199610 WBSPZVNSDVYDAL-XSWJXKHESA-N 391.537 2.644 0 40 GFAB COc1ccc(CNC(=O)[C@H](C)Sc2nc3sccc3c(=O)n2C)cc1 28697314 MOHLFUJXEIIHKC-NSHDSACASA-N 389.502 2.801 0 40 GFAB COc1ccc(C(=O)NCc2cccc(C)c2)cc1S(=O)(=O)NC(C)C 31108011 HQVGOZIDZWNQDW-UHFFFAOYSA-N 376.478 2.620 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1ccccc1F 32842326 KSKANGZJQAGZDS-KRWDZBQOSA-N 386.452 2.646 0 40 GFAB CCOC(=O)C1=C(CN2CCCc3ccc(C(F)(F)F)cc32)NC(=O)N[C@H]1C 32868847 PVEXNUPWUBJVPE-NSHDSACASA-N 397.397 2.977 0 40 GFAB C[C@H]1CCCN(Cc2ccc(CNC(=O)CNC(=O)Cc3ccccc3)cc2)C1 32930089 UKHOGOINPPCKOQ-IBGZPJMESA-N 393.531 2.894 0 40 GFAB CS(=O)(=O)c1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 32962470 NPOQRSGQKXFMLB-RMKNXTFCSA-N 384.501 2.561 0 40 GFAB COc1ccccc1[C@H](CNC(=O)[C@@H]1COc2ccccc2O1)N1CCCC1 33028213 RLWLGKXRQRMDJF-UWJYYQICSA-N 382.460 2.788 0 40 GFAB Cc1c(Cl)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)nn1C 36619001 MNUYMGITCABJRS-UHFFFAOYSA-N 385.790 2.878 0 40 GFAB C[C@@H]1CN([C@@H](CNC(=O)COCC2CC2)c2c(F)cccc2Cl)CCO1 40107688 BOCZMGVFFJUYNU-DYVFJYSZSA-N 384.879 2.784 0 40 GFAB O=C(NCc1cccc(OCC(F)(F)F)c1)[C@H]1CCCN(c2cnccn2)C1 40111890 PWEVHJQHMIFMEB-HNNXBMFYSA-N 394.397 2.951 0 40 GFAB CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(CN2CCOC2=O)c1)C(C)C 40154812 UZRAFJCDJDANDH-GOSISDBHSA-N 375.469 2.764 0 40 GFAB CCOc1ccc(-n2ncc(C(=O)N(Cc3ccccn3)C(C)C)c2C)nn1 40155228 JUVRFOBEICPMFD-UHFFFAOYSA-N 380.452 2.815 0 40 GFAB CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C(=O)N2CCOCC2)CC1 43220455 DQNAQUWQKAQBJQ-UHFFFAOYSA-N 390.480 2.937 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(NC(=O)C(C)C)c1 46071221 KKUMJHUVGWHWGN-UHFFFAOYSA-N 392.433 2.789 0 40 GFAB O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccccc2Cl)[nH]n1 47122362 LPHBRBMXHCTLCD-UHFFFAOYSA-N 379.811 2.636 0 40 GFAB CC(C)OC(=O)CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 48536305 SZPXGQUUEVUSNA-ZIAGYGMSSA-N 381.448 2.903 0 40 GFAB CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1 49155314 AKLZESVJFFKJEF-IBGZPJMESA-N 391.479 2.820 0 40 GFAB biogenic,in-vitro O=C(C1=NN(Cc2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCCC1 49402490 SQDSAVYJNNLSSG-UHFFFAOYSA-N 387.436 2.556 0 40 GFAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 55149547 SOSVCKVLJMZZPA-OLZOCXBDSA-N 384.354 2.893 0 40 GFAB CCC(CC)[C@H](CNC(=O)Nc1cccc(-c2nnnn2C)c1)N1CCCC1 58161467 JYTKENMFKCBTNZ-SFHVURJKSA-N 385.516 2.899 0 40 GFAB O=C(CN1CCC[C@H]1CN1CCCCC1)Nc1ccccc1N1CCCC1=O 69076192 PYIKWUPABSPPBV-SFHVURJKSA-N 384.524 2.702 0 40 GFAB COCC(=O)N1CCCCC[C@H]1C1CCN(Cc2noc(C(C)(C)C)n2)CC1 69928404 CTWBNWHTNWMLRC-KRWDZBQOSA-N 392.544 2.997 0 40 GFAB COc1ccc(-c2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)cc1 72349289 MGNMILRIRWJQQN-INIZCTEOSA-N 375.494 2.743 0 40 GFAB Cc1cc(C)nc(Nc2cccc(CC3CCN(CC(=O)N(C)C)CC3)n2)n1 72355032 ZIMVQGFJKFWZMD-UHFFFAOYSA-N 382.512 2.575 0 40 GFAB Cc1cc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)nc(N)n1 72362976 PYWMHCBQTBIESW-HNNXBMFYSA-N 390.447 2.969 0 40 GFAB Cc1nnc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)s1 77099432 AVAWLXMTUJFKLW-CQSZACIVSA-N 388.468 2.745 0 40 GFAB CC(=O)c1cccc(NC(=O)CNc2ccc(CS(C)(=O)=O)c(F)c2)c1 79104482 IQHTVLSXYNXVJL-UHFFFAOYSA-N 378.425 2.624 0 40 GFAB CC(C)C(=O)Nc1ccc(C(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 85876729 RSJUOIJTEDHLSK-AEFFLSMTSA-N 393.487 2.745 0 40 GFAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)NCC(=O)NC(C)(C)C 95450973 JUHSHEZYAJXHCP-CYBMUJFWSA-N 378.517 2.980 0 40 GFAB CC(C)OC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 95462839 PWABVGHBPLOLEU-MRXNPFEDSA-N 384.473 2.643 0 40 GFAB O=C(c1ccc(-n2cccc2)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104288 DFQSKHGDDUCLKZ-UHFFFAOYSA-N 384.432 2.915 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3cccc(F)c3F)ccc2NC1=O 96182247 YJXXELVEVGGLGH-LJQANCHMSA-N 390.342 2.870 0 40 GFAB Cn1nc(C(=O)N2CCC[C@@]3(COCCN(CC4CC4)C3)C2)c2ccccc21 96228792 RXKIBWDDAYBQNB-QFIPXVFZSA-N 382.508 2.538 0 40 GFAB COc1cc2s/c(=N\C(=O)[C@H]3COc4ccccc4O3)n(C)c2cc1OC 101035744 WVJARGMBZNWTSR-DVSFIDLUSA-N 386.429 2.524 0 40 GFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1c(F)cccc1Cl 102016397 NIVDCOBGQXXLOZ-OTRWWLKZSA-N 389.814 2.699 0 40 GFAB CC(C)C1=NN(c2ccccc2)C(=O)[C@H]1C(=O)CCS(=O)(=O)C1CCCC1 103614524 XCRVKKCGRHZEMY-SFHVURJKSA-N 390.505 2.978 0 40 GFAB C[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 113940985 VRPDOSBBOCJFNC-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCO2 222485282 VZVJRVKUVOGAIP-MRXNPFEDSA-N 382.460 2.820 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 222858447 PXQWUIUNPJVPOJ-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2(c3ccccc3)CCOCC2)c1 223307975 DJEFHZCXFXGVOS-UHFFFAOYSA-N 397.427 2.947 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C(=O)NC(C)C 223882658 OOFHZURRULWRIS-UHFFFAOYSA-N 382.507 2.716 0 40 GFAB CC[C@@H](C(=O)NCCOc1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 224303183 AGFRZFQTDPBGFB-IBGZPJMESA-N 390.505 2.735 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCc3ccco3)C2)cc1 225528147 AUCYFAOSQFDFIC-QGZVFWFLSA-N 390.505 2.738 0 40 GFAB O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 225606683 KJYOMYYVQNIQOD-UHFFFAOYSA-N 387.871 2.863 0 40 GFAB O=C(Cc1c[nH]c2ccccc12)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780640 YLMZFJRWKVBZND-UHFFFAOYSA-N 392.846 2.957 0 40 GFAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225888014 ICOSWMPBSJBTSW-UHFFFAOYSA-N 375.527 2.713 0 40 GFAB CCOc1ccc(-c2noc(CNC(=O)/C=C\c3ccc4c(c3)OCO4)n2)cn1 253474483 GSLBNBVBJKLTJH-DAXSKMNVSA-N 394.387 2.589 0 40 GFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 257285632 PIBIRABOBQNDOD-WKILWMFISA-N 381.480 2.586 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)s1 260790437 AWMGQOXRZYMYOZ-SGMGOOAPSA-N 392.506 2.566 0 40 GFAB Cc1cc(C)cc(CN2C[C@@H]3CN(Cc4csc(C)n4)S(=O)(=O)[C@H]3C2)c1 306125348 CNAAZWBNQAPSDB-MJGOQNOKSA-N 391.562 2.714 0 40 GFAB CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409388136 CEDQFZZDUHUQRD-LLVKDONJSA-N 379.309 2.919 0 40 GFAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(Cl)c1O 559247136 HPTOSUZTEYUERJ-UHFFFAOYSA-N 391.840 2.835 0 40 GFAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cnc4ccccn24)C3)n1 575406152 WVZLQORLRBWFIK-KRWDZBQOSA-N 394.500 2.955 0 40 GFAB C[C@H](CC(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O)c1ccccc1 575611533 FXBSWEBMQSFLJS-CQSZACIVSA-N 391.468 2.637 0 40 GFAB O=C([C@H]1OCCc2ccccc21)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575615931 HBJXHVXEYLRIKY-UXHICEINSA-N 385.485 2.689 0 40 GFAB CC[C@@H](C(=O)N1CCC(NC(=O)C2(C(=O)O)CCCC2)CC1)c1ccccc1 579963765 BSDQKNKUNZIROZ-GOSISDBHSA-N 386.492 2.932 0 40 GFAB CCOC(=O)Cc1cccc(NC(=O)C(=O)NCCC2Cc3ccccc3C2)c1 583276794 QVZZDHOBAYMKHC-UHFFFAOYSA-N 394.471 2.652 0 40 GFAB CC(C)(C)n1nnc(C(=O)Nc2ncc(C(F)(F)F)cc2Br)n1 622859410 VZRYPSLLTZCKQX-UHFFFAOYSA-N 393.167 2.857 0 40 GFAB COC(C)(C)CN(C)C(=O)Cc1occ(C)c1C(=O)N(C)CC(C)(C)OC 635678715 HYOZXDAQICIKRV-UHFFFAOYSA-N 382.501 2.511 0 40 GFAB COCc1nc(N2CCC(O)(C(=O)O)CC2)c2c(-c3ccccc3)csc2n1 649402270 NRKUEFXUAQMFCB-UHFFFAOYSA-N 399.472 2.921 0 40 GFAB Cc1cccc(CN2CCC3(CCN(C(=O)Cc4ccccn4)CC3)C2=O)c1 1565542328 QJMJCZNIAPZMQI-UHFFFAOYSA-N 377.488 2.974 0 40 GFAB O=C(c1ccncc1F)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775996099 UUVCDDLHZDYIAM-NSHDSACASA-N 395.232 2.704 0 40 GFAB Cc1cc(C(=O)N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)nn1C 1888897867 RXCRCDGSUKHXGO-UHFFFAOYSA-N 394.479 2.580 0 40 GFAB COc1cccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298120553 AGCUNKHXNMXXJD-OAHLLOKOSA-N 395.450 2.603 0 40 GFAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 892181 DGHBYRMXFXUOFO-UHFFFAOYSA-N 397.460 2.994 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)cc1 2195877 USHJRCCMNJYTJL-UHFFFAOYSA-N 399.476 2.797 0 40 GFAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O 2633375 MKSBAAYGXKZFSR-HXUWFJFHSA-N 387.386 2.847 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 2941013 IXORWZNUHRGUIM-UHFFFAOYSA-N 391.427 2.654 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl 3019953 KPROKFHSTAYRRB-UHFFFAOYSA-N 387.288 2.978 0 40 GFAB Nn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(Cl)cc1 3295690 RUMVQDBVJVELCK-UHFFFAOYSA-N 379.898 2.782 0 40 GFAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 3501651 HQBWZPJGSRIQCC-NSHDSACASA-N 399.432 2.519 0 40 GFAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 3595030 VUKDDSFBZRICCP-BTDLBPIBSA-N 386.279 2.921 0 40 GFAB CCOC(=O)C1=C(N)n2nc(C(F)(F)F)nc2N[C@H]1c1ccc(Cl)cc1 3848966 AKQPNXCVGJVAAS-JTQLQIEISA-N 387.749 2.808 0 40 GFAB biogenic Cc1ccc(-n2ncc3c(SCC(=O)NC[C@H]4CCCO4)ncnc32)c(C)c1 4341757 YKDYYWIEVWSZAC-OAHLLOKOSA-N 397.504 2.820 0 40 GFAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nnc(C)s3)n2C)cc1 4736445 NKQMDMLJAMVBOS-VIFPVBQESA-N 390.494 2.770 0 40 GFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 5047351 BFTJUKGCJGCLCY-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)c1 5252353 JODBEPGZSFTBJW-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3NCCO)c2C)no1 5279355 RMMPLFREKUCOBR-UHFFFAOYSA-N 397.431 2.834 0 40 GFAB CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccc(C(C)(C)C)cc3)c2c1 5457388 FKHYOIWGFPXXFL-UHFFFAOYSA-N 388.493 2.608 0 40 GFAB CCOc1ccccc1C(=O)OCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 5630606 NCVGXEPLZMDOQG-UHFFFAOYSA-N 398.459 2.922 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccccc2OC)c1 5636078 BTAYHSXGYUJOFR-UHFFFAOYSA-N 376.478 2.907 0 40 GFAB CC(C)CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6719212 JWWJUSYNLMSTBM-KBPBESRZSA-N 382.507 2.536 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 6830360 GPCSYBLPUBLEAC-UHFFFAOYSA-N 388.474 2.708 0 40 GFAB C[C@@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1ccc2c(c1)OCCO2 6879974 WTPJFOYVEFIUFU-CYBMUJFWSA-N 381.388 2.764 0 40 GFAB COc1ccccc1-c1noc(COC(=O)c2cc(=O)[nH]c3ccccc23)n1 6975632 BDFDFOCEMFYKOG-UHFFFAOYSA-N 377.356 2.944 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 7055025 QNHFCEMIAGOSEW-UHFFFAOYSA-N 394.518 2.970 0 40 GFAB O=C(CSc1ccc2c(c1)OCCO2)NCc1ccc(N2CCCC2=O)cc1 7491176 CTMHHKUARSZDIL-UHFFFAOYSA-N 398.484 2.993 0 40 GFAB CCOC(=O)c1sc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)nc1C 7735296 BJQGENYFOVUQFC-UHFFFAOYSA-N 394.449 2.835 0 40 GFAB COc1ccc(Br)cc1CN1C(=O)c2ccccc2S1(=O)=O 8155514 RQIOSIYIBNLGPJ-UHFFFAOYSA-N 382.235 2.802 0 40 GFAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(C)c1 8336180 QRZNRCGBKCNHCH-RVDMUPIBSA-N 382.441 2.844 0 40 GFAB CC(=O)NCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 8923721 HVNNMHWZMDYODM-UHFFFAOYSA-N 393.365 2.867 0 40 GFAB O=C(Nc1cccnc1)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 8974831 SGHCKAQPDGOTLF-UHFFFAOYSA-N 378.432 2.530 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)C1 9154933 ZFDPSBUMXCYFJJ-VXGBXAGGSA-N 376.881 2.750 0 40 GFAB O=C(Cn1ccnc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 10809791 YGQLJXYFYQCOIM-UHFFFAOYSA-N 375.476 2.844 0 40 GFAB COc1cccc(C2(NC(=O)Cc3nc4nc(C)cc(C)n4n3)CCCC2)c1 12143095 GGYKJUXNYUNDKD-UHFFFAOYSA-N 379.464 2.878 0 40 GFAB Cc1cnn(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c1 12256148 BFYSUXHCWIKYLO-QGZVFWFLSA-N 391.475 2.635 0 40 GFAB COc1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1OC 12463149 KUSHEYWKBCMFEB-GZTJUZNOSA-N 379.441 2.691 0 40 GFAB C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(-n2ccnc2)cc1 12603516 KKZAHPYJTNVTRC-MRXNPFEDSA-N 390.443 2.865 0 40 GFAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)C1=Cc2ccccc2CC1 12735086 INTFYPQHGCFHDJ-NRFANRHFSA-N 398.528 2.794 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)cc1 12743124 GCKNNDQXTKSHQF-UHFFFAOYSA-N 398.434 2.686 0 40 GFAB Cc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 12864612 ZRPUWMUGWDBPSY-UHFFFAOYSA-N 391.489 2.782 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1F 13696959 CFNCEGNRWBUARM-UHFFFAOYSA-N 390.436 2.934 0 40 GFAB Cc1cc(C)cc(OCCN(C)C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 14188494 CSKQXMMDPIIJJJ-KDURUIRLSA-N 386.492 2.706 0 40 GFAB Cc1ccc(C)c(N(CCCC(=O)NCc2ccccn2)S(C)(=O)=O)c1 14400455 PIAZPBYPLLRZPG-UHFFFAOYSA-N 375.494 2.561 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ncc(-c3ccccc3)o2)c1 14851080 JFLBBVAYJSWHRH-UHFFFAOYSA-N 387.461 2.582 0 40 GFAB Cc1ccc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1C 15414962 UJRAOWAECLDWHM-IRXDYDNUSA-N 397.562 2.590 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(OC)c1 17112939 AALVAOSULXSDMX-ONGXBYRLSA-N 395.503 2.879 0 40 GFAB NC(=O)c1ccc(COC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 17258745 GNQJHXTVZRMLDA-UHFFFAOYSA-N 375.808 2.886 0 40 GFAB Cc1cc(C(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)s1 19353120 BPHNJQITOJRPIK-UHFFFAOYSA-N 390.392 2.747 0 40 GFAB Cc1cc(=O)n(CC(=O)Nc2cccc(CN3CCOCC3)c2)c2ccccc12 19566532 BBHFPYMAXCQEHT-UHFFFAOYSA-N 391.471 2.781 0 40 GFAB CCn1cncc1C(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(OC)cc1)CN2C(C)=O 19578411 PEFJSYKEEWVTHP-SFHLNBCPSA-N 396.491 2.531 0 40 GFAB COc1ccccc1CCCn1cncc1-c1cnc(N2CCOCC2)nc1 19719354 XCLRHWFKWLJVDV-UHFFFAOYSA-N 379.464 2.818 0 40 GFAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007571 ZHOBKZBSADYTRI-QGZVFWFLSA-N 378.469 2.630 0 40 GFAB O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20453942 YTIGNJBEPROCRQ-SFHVURJKSA-N 390.505 2.570 0 40 GFAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)[nH]n2)cc1 21017120 SSEYRLFYBNKGSA-UHFFFAOYSA-N 377.448 2.833 0 40 GFAB COCCn1nc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)ccc1=O 21205883 RGRVFRJOPDBTPG-UHFFFAOYSA-N 385.420 2.574 0 40 GFAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 22335755 PJMITDJROJGQOM-GOSISDBHSA-N 376.453 2.786 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(F)c3)nc(C)n2)n1 23144622 KWHKIVJJFUNUGI-UHFFFAOYSA-N 383.431 2.960 0 40 GFAB COc1cc(OC)cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 23154955 KWNJXIUJOOOECU-HXUWFJFHSA-N 388.439 2.646 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2ccc(Cl)s2)CC1 23731919 IJSODDVVEUAPKY-MRXNPFEDSA-N 378.881 2.886 0 40 GFAB CCc1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1=O 23750683 NCKHETFCDDCJHB-KRWDZBQOSA-N 380.444 2.989 0 40 GFAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-n2cccn2)cc1 23845071 RWPHDMCAEONTMM-UHFFFAOYSA-N 376.460 2.635 0 40 GFAB CNc1snc(C)c1C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 25455122 OIHPDKJRXYONRP-UHFFFAOYSA-N 384.461 2.960 0 40 GFAB CN(C)C(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 25542460 WYKIIDXDEVDGOD-UHFFFAOYSA-N 382.416 2.761 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 25638505 YVVGTGNZYUMROX-UHFFFAOYSA-N 398.937 2.763 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CCc2ccccc2F)cc1 27428382 SFUMBOPMCNZRIV-UHFFFAOYSA-N 395.452 2.631 0 40 GFAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 28228279 YPKOALCVMLSKOP-IBGZPJMESA-N 387.501 2.898 0 40 GFAB CCCc1nnc(S)n1CC(=O)/N=c1\ccccn1Cc1ccc(C)cc1 29386691 PGHGIASRQPDBIY-HEHNFIMWSA-N 381.505 2.805 0 40 GFAB Cc1c(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(F)cc1 30567330 ZBXBIXZVEQTTOX-HUUCEWRRSA-N 388.487 2.937 0 40 GFAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 32855685 NOHALUNUECINDJ-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O[C@H]1CCCCC1=O 32950547 YGICVNAZMYXJQA-SFHVURJKSA-N 391.445 2.735 0 40 GFAB CN(C)C1(CNS(=O)(=O)c2ccccc2Br)CCCCC1 33047766 RHQVQSKJXBOLKS-UHFFFAOYSA-N 375.332 2.992 0 40 GFAB CCCCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596939 RLQMDRWVMQQVID-AWEZNQCLSA-N 393.465 2.775 0 40 GFAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1nnc2n1CCC2 36396573 ZBMUXXMVTGHFSN-UHFFFAOYSA-N 375.791 2.910 0 40 GFAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38490321 CJGAWCKZNOJIGA-DLBZAZTESA-N 392.484 2.779 0 40 GFAB CN(CC(=O)N1CCCc2c(F)cc(F)cc21)S(=O)(=O)c1cccs1 40090403 QQNNPMVEECBADT-UHFFFAOYSA-N 386.445 2.626 0 40 GFAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc(C(F)(F)F)cc1 40097852 FAJTWPNKUGYJSP-CZUORRHYSA-N 387.402 2.564 0 40 GFAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 40267934 BLEPBBORYDLFMN-SFHVURJKSA-N 395.394 2.910 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)N2CCCc3ccccc32)c1=O 40478490 IWCXONXUFGBCMP-UHFFFAOYSA-N 391.471 2.943 0 40 GFAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 44839171 DUOIFWWKFYRLFB-OAHLLOKOSA-N 376.478 2.556 0 40 GFAB O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1cccc(Cl)c1 45970491 PSMGFOVZYBKGEV-UHFFFAOYSA-N 389.868 2.745 0 40 GFAB COc1ccc(CCNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1OC 48234692 KTDVCHUEIONUEE-KRWDZBQOSA-N 382.460 2.954 0 40 GFAB COC(=O)c1sccc1NC(=O)N1CCN(C(=O)c2ccccc2F)CC1 48236168 DZBXNTJVXUOMHO-UHFFFAOYSA-N 391.424 2.664 0 40 GFAB Cc1ccc2c(c1)N(C(=O)CSc1nc3ccsc3c(=O)n1C)CCO2 57416873 HGTLBYSYYICUKR-UHFFFAOYSA-N 387.486 2.821 0 40 GFAB CS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 58291413 DUEWAQGGUOUUID-MRXNPFEDSA-N 375.494 2.635 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 61718366 QEPPDGINTDEIHQ-HKUYNNGSSA-N 382.416 2.640 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1C 63949418 ZYZFASCDBURDED-SFHVURJKSA-N 395.459 2.736 0 40 GFAB O=C(Nc1c(F)cccc1N1CCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 67168024 RRHSUPZLIGLTOA-OAHLLOKOSA-N 382.439 2.808 0 40 GFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(N(C)C)cn1 68806465 VOCYPHPYRHIKLN-QGZVFWFLSA-N 376.407 2.819 0 40 GFAB COc1ccc(CCNC(=O)NCC2CCN(c3ccc(C)nn3)CC2)cc1 70930141 XSJHZHMDOFRUIY-UHFFFAOYSA-N 383.496 2.552 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1 72345981 UMZOYTIWHZKSBE-QGZVFWFLSA-N 388.475 2.599 0 40 GFAB CC(C)n1nc(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 79191121 KMEJRIQNVVDBGE-LAUBAEHRSA-N 396.535 2.901 0 40 GFAB biogenic COC(=O)CN(CC(=O)Nc1ccccc1OC(F)F)Cc1ccccc1 95369386 AEEJTWLLRSXGCC-UHFFFAOYSA-N 378.375 2.902 0 40 GFAB COC(=O)[C@H](NC(=O)Cc1c(OC)cccc1OC)c1cc(C)c(O)c(C)c1 96011911 QCRDVSJPELMDSH-LJQANCHMSA-N 387.432 2.599 0 40 GFAB O=S(=O)(C[C@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 96098320 GOBNUOUXVSKUMZ-FDPSAONLSA-N 391.514 2.925 0 40 GFAB COC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1c(O)nc2ccccn2c1=O 96118299 NDUBVRAIOWHBIN-JTQLQIEISA-N 378.306 2.512 0 40 GFAB CN(C)CCN1CCC2(CC1)C[C@@H](NC(=O)c1cccnc1)c1ccccc12 96241443 QQGTWGPOQFJMKO-OAQYLSRUSA-N 378.520 2.852 0 40 GFAB Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)c1 97591225 KWRKQXZZGWJNHG-UHFFFAOYSA-N 375.381 2.819 0 40 GFAB COCCNC(=S)N1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(C)cc1)C2 100426802 RTPFQESCONKTHP-ROUUACIJSA-N 375.538 2.631 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]23)cc1OC 101277152 IOINAOMRLPSKEW-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB COc1cc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)ccc1N1CCCC1=O 103022469 GFAOBBKGUJVASF-QGZVFWFLSA-N 393.443 2.562 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 222989203 MQQHGCYPYKYWEB-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc21 223117992 RRVNMMJVIYYELP-UHFFFAOYSA-N 395.525 2.959 0 40 GFAB Cc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224274859 YSCMMLQEXVRDEC-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 225438941 YCTQDTPYGNNTQP-CQSZACIVSA-N 386.423 2.650 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225478670 APBZJYBZTAYKDV-INIZCTEOSA-N 390.505 2.955 0 40 GFAB Cc1ccccc1OCC(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225723330 RVOVKRZFYQRGEL-UHFFFAOYSA-N 394.397 2.968 0 40 GFAB COC(=O)c1cccc(NC(=S)NCc2ccccc2CN2CCOCC2)c1 225778409 HXZDQWWILROYMW-UHFFFAOYSA-N 399.516 2.792 0 40 GFAB Cc1cc(C)n(CCNC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)n1 247891092 FRJPSYNKLKMNLH-AQZFEABFSA-N 379.460 2.676 0 40 GFAB Cc1ccccc1OCC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831799 VACAZEZHCOBPPJ-UHFFFAOYSA-N 387.501 2.980 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)c2)cc1Cl 408555362 WUEFTWBNBNYGHQ-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB COC(=O)c1c(NC(=O)COc2ccccc2OC)sc2c1CCN(C)C2 408564323 VURYHNBVWDQCKB-UHFFFAOYSA-N 390.461 2.549 0 40 GFAB COCc1nc([C@@H]2CCCCN2S(=O)(=O)c2sccc2Cl)n[nH]1 573912641 ZPLNXIQDTKXHRA-JTQLQIEISA-N 376.891 2.582 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575612021 IGDNXLODMDOELT-LBPRGKRZSA-N 388.276 2.934 0 40 GFAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCN(c2nccs2)C(=O)C1 1565522571 KTGCWFQINXGNBY-UHFFFAOYSA-N 383.395 2.970 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565541749 XFLGAVRLXYTODD-RXVVDRJESA-N 384.501 2.994 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)C1CCCC1 1775964260 ZCHAXHYKYJOXQN-KRWDZBQOSA-N 382.464 2.782 0 40 GFAB biogenic,in-vitro O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCC(F)(F)CC1 1889101444 ZFMBPZYAGXGAIO-UHFFFAOYSA-N 378.345 2.970 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)/C=C/c1cccs1)C2 2055812534 RUQBIXHBIJKVOP-PXPVJAHISA-N 387.530 2.773 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)OCc1nc(-c2cccs2)no1 24929670 BSMUIWABAOIHMN-UHFFFAOYSA-N 378.431 2.949 0 40 GFAB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 4163564 AQJREORBVKFUID-UHFFFAOYSA-N 379.309 2.920 0 40 GFAB Cc1cc(C)cc(NC(=O)CSc2nnc3nc(O)c(C(C)(C)C)nn23)c1 4251442 XCACSUCBDVADRO-UHFFFAOYSA-N 386.481 2.870 0 40 GFAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)c2cc(Br)c(C=O)n2C)C1 107051271 RKXZVTBRIMPSPC-XQQFMLRXSA-N 384.318 2.696 0 40 GFAB COc1ccccc1NC(=O)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1 4981968 MUIXSEIBYNGDHR-HNNXBMFYSA-N 375.469 2.815 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(C)=O)cc2)cc1 6296353 ZIDIGSMQBFPNNV-UHFFFAOYSA-N 399.399 2.765 0 40 GFAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)NC[C@H]1CCCO1 6948064 UFHFZKXACQJJKI-QGZVFWFLSA-N 388.537 2.861 0 40 GFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)CCO2 26543672 JKAVEQXXRYDKBX-XVNBXDOJSA-N 375.402 2.529 0 40 GFAB CC(C)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)[C@@H]1C[C@@H]1C)CC3 100233757 PGMLGMNKSOIYRD-KHYOSLBOSA-N 397.523 2.911 0 40 GFAB C[C@@H](NCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 8489980 AWVSEHWUXPRPKR-BEFAXECRSA-N 396.528 2.825 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 58191579 JYSZENVDZUVXNV-WBVHZDCISA-N 379.865 2.763 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 10834134 DSNKMZZELXGQBM-HNNXBMFYSA-N 396.896 2.869 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 45480362 GGPNEFLPFXBTCE-LLVKDONJSA-N 388.367 2.891 0 40 GFAB O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1nc2ncccn2n1 36618827 RJMWAIWZUIPMSA-UHFFFAOYSA-N 388.218 2.928 0 40 GFAB CCn1c(SCC(=O)NC(=O)Cc2ccccc2)nnc1-c1ccccc1 2624057 GAXNYCSFWULKJB-UHFFFAOYSA-N 380.473 2.943 0 40 GFAB Cc1nccn1-c1cc(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1 47013765 QMHZFSDIMLHUNS-KRWDZBQOSA-N 399.495 2.839 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c(Br)c1 47328466 XRNAQPGXMGPFJQ-UHFFFAOYSA-N 394.254 2.534 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)Nc2cccnc2Cl)cc1OC 3395995 HGZHBRFACFKJGD-UHFFFAOYSA-N 380.784 2.556 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NC[C@H]1CCCO1 3378359 LXLFWPQLKQBJLN-CQSZACIVSA-N 392.452 2.844 0 40 GFAB COc1cc(NC(=O)COC(=O)c2cccnc2Cl)cc(OC)c1OC 3396829 OLCPAKPXAHNLBK-UHFFFAOYSA-N 380.784 2.556 0 40 GFAB COc1ccccc1C(=O)N[C@H](C(=O)NCCc1nc2ccccc2[nH]1)C(C)C 12822535 VNHWDOJKBBCFFH-FQEVSTJZSA-N 394.475 2.685 0 40 GFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)N[C@@H]1CCCc2ccccc21 3453208 HTOMALXJLOLGSB-GOSISDBHSA-N 376.412 2.879 0 40 GFAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C/C(O)=N/S(C)(=O)=O 48480979 AFJFKLHHRUFFHU-UHFFFAOYSA-N 375.372 2.967 0 40 GFAB CCCc1ccc(N2C[C@@H](C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2=O)cc1 12986114 CJYCKZQUKQVCIS-SFHVURJKSA-N 397.519 2.509 0 40 GFAB C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C(F)(F)F)c1 12974356 VOXIPJSSFORXBX-NSHDSACASA-N 391.349 2.586 0 40 GFAB c1ccc(-n2nnnc2SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)cc1 95465676 FXIKVGUOTCHBNE-CQSZACIVSA-N 394.489 2.582 0 40 GFAB Cc1ccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 5045762 JVXZUZNVMMQRSP-OAHLLOKOSA-N 379.503 2.651 0 40 GFAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccccc1 5111526 GVJUOPOPKAILOV-UHFFFAOYSA-N 380.322 2.888 0 40 GFAB CCOCCc1c(O)nc(SCC(=O)Nc2cccc3ccccc23)[nH]c1=O 13957198 UMHWYYQRNZELJS-UHFFFAOYSA-N 399.472 2.939 0 40 GFAB O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(O)c3sccc3n2)CC1 14067645 OTYRJWHZVKMOLO-UHFFFAOYSA-N 381.461 2.877 0 40 GFAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccc(Cl)cc1 5353035 FITHGTOFSKDPAP-SFHVURJKSA-N 397.862 2.735 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 14185777 HZWVBQOXHCIROT-FQEVSTJZSA-N 399.834 2.896 0 40 GFAB CCN(C(=O)CSC1=Nc2ccccc2CS1)[C@H]1CCS(=O)(=O)C1 6588302 PCWXTRRKVSFFBA-ZDUSSCGKSA-N 384.548 2.690 0 40 GFAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 5585973 JODMDCBWGSEKCN-ZIAGYGMSSA-N 387.457 2.613 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H]1c1cccc2c1OCCO2 66771582 LQBPKEHAFYPGIZ-QGZVFWFLSA-N 391.427 2.531 0 40 GFAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NC3CCCCC3)C3=C2C(=O)OC3)c1 67288559 OJJVRJJQQTZBTC-HXUWFJFHSA-N 397.475 2.630 0 40 GFAB O=C(O)COc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 7360747 CRQWYKCYAVTHHD-UHFFFAOYSA-N 386.223 2.713 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1nc2ccccc2o1 7874829 OTEKLDQSAOAJSQ-OAHLLOKOSA-N 388.493 2.633 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnnn1C[C@H]1CCCO1 16412325 HPBYOESAKLYZRU-WCQYABFASA-N 381.889 2.933 0 40 GFAB CCCc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1 69081983 SHXMHEDRCOHXOY-UHFFFAOYSA-N 380.554 2.953 0 40 GFAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 408559156 VSYYUJDCILKZMY-MRXNPFEDSA-N 382.526 2.792 0 40 GFAB C[C@]1(C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)CC1(Cl)Cl 8329479 VKRLAERMKOAQAN-OAHLLOKOSA-N 377.268 2.830 0 40 GFAB CCOc1ccc2nc(NC(=O)CSc3nnnn3C3CC3)sc2c1 8401250 ZHEYLUWQYNSIDR-UHFFFAOYSA-N 376.467 2.747 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(F)c1 18084724 XIPFOWPRDONVDW-UHFFFAOYSA-N 376.403 2.681 0 40 GFAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc(F)c21 8709330 TUOOKLSJRONIBN-NSHDSACASA-N 391.420 2.937 0 40 GFAB O=C(O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 22510604 GBWJJFWTEXXXHU-UHFFFAOYSA-N 388.445 2.563 0 40 GFAB COC(=O)Cc1csc(NC(=O)CC2(C(F)(F)F)SCCS2)n1 95977963 DXHFEUPRTPGWFT-UHFFFAOYSA-N 386.442 2.926 0 40 GFAB Cc1cc(N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)n2ncnc2n1 95999468 UOFXWASZLYAPNN-SFHVURJKSA-N 389.463 2.813 0 40 GFAB Cc1ccc(OCc2cccc(C(=O)N3CCOC[C@H]3c3ncon3)c2)cn1 95981477 AYRQWKXKANFWLW-SFHVURJKSA-N 380.404 2.566 0 40 GFAB C[C@@H]1CN(Cc2ccc(C(=O)N(CCCO)Cc3ccncc3)cc2)C[C@@H](C)O1 89936689 BALGIHDLGGYHEJ-RTBURBONSA-N 397.519 2.716 0 40 GFAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)cc1C 408991789 YTKVWJLKCFCDCP-NRFANRHFSA-N 399.450 2.978 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)C2)n1 69442320 ASJOVEBRPMSHIX-HNNXBMFYSA-N 384.415 2.792 0 40 GFAB COc1ncccc1CN1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(C)C2=O)C1 306124094 BFZDMBJOFHGQCF-PGRDOPGGSA-N 397.523 2.706 0 40 GFAB C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn12)Cn1cccn1 36619377 PPBKVILQUQSVST-ZDUSSCGKSA-N 395.854 2.707 0 40 GFAB CC(C)NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 36596241 UZHHVLPPXNCQOJ-MRXNPFEDSA-N 390.871 2.793 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(F)cc2)cc1 219010123 XRGLWCXIDTWWSU-UHFFFAOYSA-N 378.469 2.504 0 40 GFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](c2cccc(Cl)c2)C1(CO)CO 218473039 FUCYFRQVLPNFRG-JKSUJKDBSA-N 387.284 2.904 0 40 GFAB Cc1cccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)c1 36589758 LBDLDGGWPPJEOO-MRXNPFEDSA-N 395.415 2.767 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NC(C)C)cc1 217484873 YBJOVHKMTJGXFI-UHFFFAOYSA-N 392.477 2.735 0 40 GFAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72349690 ADXSOKWOXKQTRC-GOSISDBHSA-N 395.503 2.795 0 40 GFAB O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)Nc1cccc(Cl)c1 49009307 PGCSICUVBPLKQG-UHFFFAOYSA-N 379.807 2.850 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCc3ccccc32)ccc1C 223362010 ZFUAMTBCUWFCTL-UHFFFAOYSA-N 388.489 2.513 0 40 GFAB CC[C@@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc2c(c1)CCCC2 223139455 DMHMSONNBNPRCU-OAHLLOKOSA-N 394.522 2.805 0 40 GFAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223589957 ATCYWAYTIUMSSZ-ROUUACIJSA-N 399.907 2.886 0 40 GFAB Cc1ccccc1O[C@H](C)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 573483958 QYZBDDAQEKKUDK-OAHLLOKOSA-N 389.473 2.857 0 40 GFAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 225085645 CQTZPKPUEZSPIL-OAHLLOKOSA-N 386.473 2.996 0 40 GFAB CS(=O)(=O)N(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)C1CCCCC1 223059027 AGBINWFHPYDLCX-UHFFFAOYSA-N 394.472 2.749 0 40 GFAB COc1cc2c(cc1OC)[C@H](NC(=O)CCN1Cc3ccccc3C1=O)CC2 583652551 JITMODSITWNYSP-GOSISDBHSA-N 380.444 2.853 0 40 GFAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)NC1CCCCC1 96296354 RZIOVNQQDGPHPG-INIZCTEOSA-N 398.463 2.810 0 40 GFAB biogenic,in-vitro CCN(C(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@H]21)C1CCN(C)CC1 248147669 SJTCBZRVBOIBSN-HWLQVEPHSA-N 382.504 2.989 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230191 NAZXNBZGXAPWPN-WYADAEROSA-N 396.418 2.598 0 40 GFAB OC[C@H]1[C@H](O)C[C@@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 604382196 JXUBJTNCLGIIGI-GXRSIYKFSA-N 396.535 2.609 0 40 GFAB biogenic,in-vitro Cn1ccnc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1 257250274 JLVUORRVHHQJIG-VQIMIIECSA-N 375.856 2.916 0 40 GFAB Cc1noc(C)c1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@](C)(O)C1 257220764 DMAVUPZNACGLKC-HKUYNNGSSA-N 378.856 2.918 0 40 GFAB CC(C)n1nccc1-c1cccc(CC2CCN(S(=O)(=O)N(C)C)CC2)n1 257241718 HZHLTOBHUUIPQE-UHFFFAOYSA-N 391.541 2.587 0 40 GFAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 257228104 FSHLGXJIYQUCCT-LJQANCHMSA-N 375.432 2.643 0 40 GFAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1onc2c1CCCC2 613295392 ZNRKTMNULSFHSV-OAHLLOKOSA-N 377.803 2.881 0 40 GFAB COc1cc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c2ccccc2n1 668765006 KGNWOFNVXXIRCQ-UHFFFAOYSA-N 385.361 2.902 0 40 GFAB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCc4[nH]c5ccccc5c4C3)[C@@H]2N1 67142121 CBXOPGGSUUGLQL-WSTZPKSXSA-N 398.532 2.778 0 40 GFAB biogenic O=C(c1cccc2c1OCCO2)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390831353 RJVIAPNHXMFOJX-INIZCTEOSA-N 393.486 2.521 0 40 GFAB Cn1nccc1S(=O)(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 585091154 MWSRJAZCULABFX-UHFFFAOYSA-N 389.399 2.719 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183614 NOGDNNDHEHPHPF-LJQANCHMSA-N 397.494 2.691 0 40 GFAB COc1cccc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)c1 824787266 QYXUYAYAPQPLLJ-UHFFFAOYSA-N 378.428 2.583 0 40 GFAB COc1ccc(-c2noc(CCC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)n2)cc1 43282446 WEXFZEOLMBBINX-KRWDZBQOSA-N 397.435 2.692 0 40 GFAB COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@H](C2)N(CC2CC2)CC[C@]351)OCCO4 5158830 ZKNHXBONWOGIMA-PEYKTXOXSA-N 383.488 2.888 0 40 GFAB COc1ccc(S(=O)(=O)N2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)cc1 12128827 IHFZQVWCJQDBBN-RBUKOAKNSA-N 383.473 2.990 0 40 GFAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 14607308 LRDSDHOCQGMWNY-HNNXBMFYSA-N 377.404 2.866 0 40 GFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(C(=O)OC)c1 14700628 IXNOLKBUIHTJBH-UHFFFAOYSA-N 391.493 2.767 0 40 GFAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)C(C)C)C2)on1 19122023 CJGRPAYATOCVLR-MRXNPFEDSA-N 399.495 2.639 0 40 GFAB COc1ccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1 19555018 KADOZZNXUMRXBP-GOSISDBHSA-N 399.491 2.972 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)Cc3c(C)noc3C)cc2)ccc1C(N)=O 19700547 CKNUFIBQLNFQDU-UHFFFAOYSA-N 378.432 2.620 0 40 GFAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)Cn1cnc2sccc2c1=O 19715394 SFMSVLXXPGJYPD-UHFFFAOYSA-N 383.408 2.636 0 40 GFAB Cn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1 19718041 HZZDJXRHZYKOKA-SFHVURJKSA-N 381.459 2.847 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)/C(=C/c1ccccc1)NC(C)=O 4564635 CGMNWDUNBWZPCD-RVAQLADHSA-N 382.416 2.743 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2ccncc2)Nc2ccccc21 100117802 RVCHXYZHCKAIMA-QKZPVBNUSA-N 376.460 2.686 0 40 GFAB COCCOc1ccc(CN2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cc1OC 247896201 OUTIHRVOFRWAJN-RXVVDRJESA-N 382.460 2.955 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Cc3nc4cc(Cl)ccc4[nH]3)CC2=O)cc1 19718986 BPOQBBDEQITOPK-ZDUSSCGKSA-N 398.850 2.689 0 40 GFAB Cc1c(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)cnn1-c1ccc(F)cc1F 593949289 YCEQENYVHOTNGW-LJQANCHMSA-N 396.397 2.684 0 40 GFAB CCOC(=O)C(C(=O)OCC)[C@@H](O)c1nc2ccccc2n1Cc1ccccc1 5235793 LOEUETHKUFKDNP-LJQANCHMSA-N 396.443 2.860 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3s2)cc1 4070497 FAMGTLKKRSTKSY-UHFFFAOYSA-N 376.459 2.904 0 40 GFAB Cc1cccc(CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 4139165 RPSWVSRTMNBPFF-UHFFFAOYSA-N 394.456 2.888 0 40 GFAB COc1cccc(N2C[C@H](CNS(=O)(=O)c3cccc(Cl)c3)OC2=O)c1 8838812 SDKBWUZJVZTJLW-HNNXBMFYSA-N 396.852 2.652 0 40 GFAB CCOc1ccc(-c2ccc(N3CCN(c4ccnc(C)n4)CC3)nn2)cc1 1775974697 LYJGJSWCRGEHNE-UHFFFAOYSA-N 376.464 2.967 0 40 GFAB Cn1cc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)cn1 1891374559 QACJZMPELBAADF-UHFFFAOYSA-N 399.458 2.840 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 36096218 DZWJOYBTSGIRLO-UHFFFAOYSA-N 386.433 2.623 0 40 GFAB O=C1C[C@@H](CN2C(=O)NC3(CCCCC3)C2=O)CN1Cc1cc(F)cc(F)c1 2298048461 IADUFNXULBASNW-CQSZACIVSA-N 391.418 2.568 0 40 GFAB Cc1ccc(OC(C)(C)C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19210759 CIKBVYCSOVBUEU-KRWDZBQOSA-N 394.519 2.994 0 40 GFAB CCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 6264877 HVCNFRMMBHVNIZ-COPCDDAFSA-N 390.524 2.898 0 40 GFAB biogenic O=C(CN1C(=O)CCOc2ccccc21)NCc1ccc(Br)s1 25473838 RJIIOVSMHPMGHS-UHFFFAOYSA-N 395.278 2.943 0 40 GFAB O=C(CN(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)NC1CCCCCC1 40012099 IEDNLLTUZDMGRE-MRXNPFEDSA-N 384.567 2.576 0 40 GFAB O=C(c1ccc(N2CCOC2=O)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 40093256 JINPVUKFNMPJLU-UHFFFAOYSA-N 399.491 2.898 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N(C)C)cc2C)C1=O 40111719 DINHUHACMWHNHC-QFIPXVFZSA-N 394.475 2.857 0 40 GFAB COc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c1OC 31817879 AYZPOVDTXNOGAH-GFCCVEGCSA-N 381.392 2.817 0 40 GFAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCN1CCOCC1)CO3 20567648 BBSMIYAYBWDQLS-UHFFFAOYSA-N 386.492 2.928 0 40 GFAB COc1ccc(F)cc1CN1CCN(CC(=O)N2CCc3ccccc3C2)CC1 22791034 UCAPZSGORUDLCE-UHFFFAOYSA-N 397.494 2.537 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@H](C(=O)NC(N)=O)c1ccccc1 23873253 CTOOXIMOSNMAKV-FQEVSTJZSA-N 391.475 2.857 0 40 GFAB CCC1(CC)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 9155054 BKVLOJSSQUBSGE-UHFFFAOYSA-N 386.279 2.763 0 40 GFAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)c1 940603 REVVWLHCHJOEIC-GOSISDBHSA-N 392.419 2.618 0 40 GFAB CCSc1nnc(C)c(=O)n1COC(=O)c1ccc(Br)cc1 4495828 DKWOBPCFUFSTMM-UHFFFAOYSA-N 384.255 2.636 0 40 GFAB C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 26281247 LIBUAJNXKJMIMN-JTQLQIEISA-N 394.324 2.778 0 40 GFAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1cccc(F)c1 6961433 HHQZDGHPMKYJGA-NVNXTCNLSA-N 383.379 2.905 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)c1 57351159 QSLREWFMFKQJKV-QGZVFWFLSA-N 379.460 2.823 0 40 GFAB COc1ccccc1CNC(=O)CCn1cnc2c([nH]c3ccc(C)cc32)c1=O 35423946 VVJIGFPTSKTRFC-UHFFFAOYSA-N 390.443 2.901 0 40 GFAB Cc1cccc2c(=O)n(CCCC(=O)N[C@H](CN(C)C)c3ccccc3)cnc12 27150615 AMUQMCLKMCVSKE-HXUWFJFHSA-N 392.503 2.904 0 40 GFAB CCS(=O)(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 58175329 VGNQCEPFVHBGCX-GOSISDBHSA-N 399.472 2.643 0 40 GFAB CCc1ccc(OC[C@H](O)Cn2nc(N3CCOCC3)sc2=S)cc1 58109592 CAYALEPVEKKMQT-CQSZACIVSA-N 381.523 2.513 0 40 GFAB CCN(CC)c1ccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)cn1 58202890 VOFGNVGMJQWOBI-UHFFFAOYSA-N 379.511 2.522 0 40 GFAB COc1ccc(NC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)cc1 54201841 ODVCNIDORDPSQF-UHFFFAOYSA-N 389.205 2.626 0 40 GFAB CCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2ccc(Cl)s2)c1=O 52737333 CSYBTHXNHHTLLU-UHFFFAOYSA-N 391.880 2.557 0 40 GFAB Cc1cc(C)c2c(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)oc2c1 27994695 LEHVCLLJTKRERX-UHFFFAOYSA-N 386.473 2.978 0 40 GFAB COc1ccc(CCN2C[C@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1OC 28000680 BTCJJDGJCJKTIK-OAHLLOKOSA-N 386.423 2.873 0 40 GFAB Cc1nc(C2(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CCCCC2)no1 29059000 PUSBKOUCVALCAU-CQSZACIVSA-N 386.427 2.846 0 40 GFAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(N2CCOCC2)nc1 46292129 OQHFFKQRSBEQPH-UHFFFAOYSA-N 377.404 2.753 0 40 GFAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC 22074664 WTMJNCHBGCHNRR-UHFFFAOYSA-N 398.912 2.727 0 40 GFAB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 47238122 KOVGCMINVPPYRE-MRXNPFEDSA-N 375.432 2.963 0 40 GFAB NC(=O)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3227510 FYCJJXURURKBGL-UHFFFAOYSA-N 383.429 2.510 0 40 GFAB Cn1ccnc1[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1 12630115 NFKQBQHKRRDYPV-KRWDZBQOSA-N 377.416 2.907 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745136 LKEKXTYGPSZWSM-OAHLLOKOSA-N 376.416 2.508 0 40 GFAB O=C1COc2cc(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)ccc2N1 12796830 FNDYEMBADMKLMR-UHFFFAOYSA-N 391.880 2.690 0 40 GFAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12761767 DFDGLCWNLNAALU-GFCCVEGCSA-N 388.493 2.694 0 40 GFAB CS(=O)(=O)c1ccccc1NC(=O)CN1CCC(c2ccc(O)cc2)CC1 12766804 GPFLNJMJEQREID-UHFFFAOYSA-N 388.489 2.614 0 40 GFAB O=C(COC(=O)c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3619953 PBXOBCGCXJPBJP-UHFFFAOYSA-N 398.337 2.931 0 40 GFAB COc1cccc([C@]2(C)NC(=O)N(Cc3nc(-c4ccccc4)no3)C2=O)c1 13095403 FDPGARXFWUCQCN-FQEVSTJZSA-N 378.388 2.712 0 40 GFAB O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 13002496 AZSBWVDKRCRREQ-UHFFFAOYSA-N 394.214 2.887 0 40 GFAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(Cl)s1)OCCO2 13090232 ZCTABPOUAYWJBD-UHFFFAOYSA-N 375.811 2.672 0 40 GFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(OC)cc1 3984384 MRPWMEOGZUAXGL-INIZCTEOSA-N 392.411 2.794 0 40 GFAB biogenic O=C(CCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96117350 ROXPXHFHNDDLQC-INIZCTEOSA-N 397.866 2.925 0 40 GFAB Cc1cnc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)s1 13692577 NZWPBFBLWLCDCF-UHFFFAOYSA-N 394.503 2.890 0 40 GFAB COc1ccc(CNC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OC 6285241 CSLIJDFFHOZERX-UHFFFAOYSA-N 375.421 2.589 0 40 GFAB CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(c2ccccn2)CC1 4476870 CUIIECZZIFRLOM-KRWDZBQOSA-N 383.525 2.796 0 40 GFAB Cc1ccc2c(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cc(=O)oc2c1 6589062 YIHDWMQGSDAQPZ-QFIPXVFZSA-N 390.395 2.831 0 40 GFAB COc1ccc2nc(SCC(=O)NC[C@H]3COc4ccccc4O3)[nH]c2c1 6657644 JJQRLSJXVMZNFF-ZDUSSCGKSA-N 385.445 2.620 0 40 GFAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 19897840 XSXNCSWULXYDIJ-NRFANRHFSA-N 384.476 2.897 0 40 GFAB biogenic COC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc2c1CCCC2 6719483 OMWKEADHBZOPQC-UHFFFAOYSA-N 386.473 2.711 0 40 GFAB COc1ccc([C@H](CC(=O)NCCn2c(C)nc3ccccc32)NC(C)=O)cc1 15136131 UWRPWWHOWNUYOZ-FQEVSTJZSA-N 394.475 2.737 0 40 GFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCSc2ccc(F)cc21 9513786 RNILCWYGJBHPIW-CQSZACIVSA-N 391.468 2.734 0 40 GFAB COc1ccc(C)cc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 7477927 PPGIXCTUGHICRR-SFHVURJKSA-N 388.420 2.533 0 40 GFAB C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(=O)n(C)n2)[C@@H]1C 71809042 YFIGVMVSODHRAL-RKVPGOIHSA-N 397.475 2.976 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 16308840 AHPMMMWHPFXBTJ-GOSISDBHSA-N 398.488 2.838 0 40 GFAB COc1ccc(-n2nnnc2[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 19907565 HBOAVZMUDXCDSS-SFHVURJKSA-N 385.855 2.746 0 40 GFAB Cc1ccc(Cn2nc(C)c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c2Cl)cc1 69084408 YUGHWOAEIGATKO-GOSISDBHSA-N 395.912 2.509 0 40 GFAB COc1ccc(CCNC(=O)c2nn(-c3ccccc3)cc2OC)cc1OC 8276903 HVUBKPDXBQTJBR-UHFFFAOYSA-N 381.432 2.871 0 40 GFAB COc1ccc(CCN(C)c2ccc3nnc(C(F)(F)F)n3n2)cc1OC 9690804 KYXNLZUVXIJLKY-UHFFFAOYSA-N 381.358 2.839 0 40 GFAB CN(C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)C1CCCC1 20452318 LDJXHGWQCHLPOA-UHFFFAOYSA-N 382.501 2.769 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 8778925 LFOIGSXJWNYRMN-CYBMUJFWSA-N 396.415 2.674 0 40 GFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@]21C(=O)Nc2ccc(Br)cc21 71282526 WTKXEANJCHYBPF-INIZCTEOSA-N 391.225 2.750 0 40 GFAB Cc1ccnc(-n2cc(S(=O)(=O)Nc3cccc(-c4nccn4C)c3)cn2)c1 89701869 LKVPDRRHSQRYGD-UHFFFAOYSA-N 394.460 2.777 0 40 GFAB CC(C)Cn1ncc2cc(-c3nc(Cc4ccc(C(N)=O)cc4)no3)cnc21 546335797 OBNDGWUJGIVHCU-UHFFFAOYSA-N 376.420 2.827 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1F 408526318 ARPSIOUABDGNIA-UHFFFAOYSA-N 380.441 2.838 0 40 GFAB O=C(c1ccco1)N1C[C@@H](c2nccs2)[C@]2(CCN(CC3CCC3)C2=O)C1 306142316 WVVJXCHIRRNRKA-YWZLYKJASA-N 385.489 2.995 0 40 GFAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cc1ccccn1)c1ccccc1O2 72327747 FKJCBGVNKKOINO-AVRDEDQJSA-N 379.460 2.645 0 40 GFAB CCOC(=O)[C@@H]1C[C@@]2(C)C(=O)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 212415454 LKQRJDNQXYKHIT-SQGPQFPESA-N 393.505 2.839 0 40 GFAB biogenic CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(F)c(Cl)c1)CC2 70638389 GHFHDNKFJQXDHK-UHFFFAOYSA-N 382.848 2.891 0 40 GFAB CN(C)CCNC(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 72356282 NOOOEOVDSISAFS-FQEVSTJZSA-N 379.504 2.714 0 40 GFAB Cc1[nH]c2c(C)cccc2c1CC(=O)N1CCn2c(nnc2[C@@H]2CCCCN2)C1 72374050 KTPGZUGWJDCBGA-SFHVURJKSA-N 392.507 2.776 0 40 GFAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 72241291 FOHFOJLIXRZNPS-ROUUACIJSA-N 376.815 2.694 0 40 GFAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 222898532 GRHSGDOUNSJWRN-UHFFFAOYSA-N 388.489 2.732 0 40 GFAB COc1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c(C(C)=O)cc1OC 223370979 XVBVJESVCBUYAR-UHFFFAOYSA-N 397.380 2.545 0 40 GFAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223604274 DDRZQSCUHUEVLP-RTBURBONSA-N 379.489 2.622 0 40 GFAB O=C(C[C@@]1(C(=O)O)CCSC1)Nc1ccc(C(=O)NC2CCCC2)cc1 64611176 LNJGSVUNNPYKRZ-IBGZPJMESA-N 376.478 2.896 0 40 GFAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 223625949 RIYMBHYNKSWMQU-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N(C)c1ccccc1 222774169 IDPKXDQAHKUHFA-UHFFFAOYSA-N 388.489 2.821 0 40 GFAB Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)NCc5ccncc5)n4)n3c2)cn1 96155383 CMOQQCGFHOHNKV-UHFFFAOYSA-N 397.442 2.851 0 40 GFAB O=S(=O)(c1cccs1)N1CCC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 96222968 DGIAZYMLHMQBBF-WMLDXEAASA-N 379.507 2.567 0 40 GFAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 96226011 SAHWAHWEHKYHET-LJQANCHMSA-N 384.823 2.735 0 40 GFAB COCCn1cnc(-c2cc(C(=O)NCc3ccccn3)c3ccccn23)c1 96266792 DYXDGHTZMXDFQM-UHFFFAOYSA-N 375.432 2.774 0 40 GFAB COc1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)ccc1OCc1c(C)noc1C 584908090 MSEPINNPMNJODF-HXUWFJFHSA-N 388.420 2.816 0 40 GFAB Cc1cnn(C)c1S(=O)(=O)NCC1(Cc2ccc(Br)cc2)CC1 585091917 HOFIEIUYRZAUOU-UHFFFAOYSA-N 398.326 2.792 0 40 GFAB COc1ncccc1C(=O)N1CCC2(CC1)C[C@@H](Cc1ccccc1)N(C)C2=O 257228644 FURQFVONFVAIEK-GOSISDBHSA-N 393.487 2.786 0 40 GFAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cc(C4CC4)nn3C)n(C)n2)CC1 257240926 HVTUFDKTAUVBOB-WKILWMFISA-N 398.555 2.796 0 40 GFAB O=C1C[C@@H](c2cccc3ccccc23)c2c(O)nc(N3CCOCC3)nc2N1 585655820 VNYSHPYTGGRLHY-INIZCTEOSA-N 376.416 2.646 0 40 GFAB CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257243115 IFNXTGIWWHGLAU-OAHLLOKOSA-N 375.856 2.761 0 40 GFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4)CC3)n2)c(C)c1 256046326 FHALQRDXZZYCPX-UHFFFAOYSA-N 377.448 2.909 0 40 GFAB Cc1ccc2[nH]c3c(c2c1)CN(C[C@H](O)COc1ccc(C(=O)O)cc1)CC3 656765899 MJKAVKXEPBFESV-INIZCTEOSA-N 380.444 2.973 0 40 GFAB COc1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1Cn1cccn1 72135336 OPJYLLZHYYWRHT-UHFFFAOYSA-N 389.459 2.809 0 40 GFAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2sccc2C)c(C)c1 90583499 NTHSFDODNRRVMH-CQSZACIVSA-N 382.507 2.725 0 40 GFAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)[C@H]2Cc4ccccc4O2)C3)c1 575404514 NBXOJOHGCRZJCC-PZJWPPBQSA-N 394.471 2.670 0 40 GFAB CN(CC(F)F)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 72301417 VSQPXEVXXIQQRH-ZDUSSCGKSA-N 399.869 2.881 0 40 GFAB COC(=O)C[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCO1 79020457 WKLRATKCRPGIOR-WDEREUQCSA-N 375.252 2.584 0 40 GFAB Cc1nsc(NC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)n1 89721410 LELDJKWZDFKWFD-UHFFFAOYSA-N 390.852 2.993 0 40 GFAB Cc1nccn1-c1ccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 12221686 ZHKBLBBUNMKWKG-UHFFFAOYSA-N 398.470 2.884 0 40 GFAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(C(=O)NC2CC2)c1 14672718 VVPSGFHCRMEEMB-UHFFFAOYSA-N 391.427 2.594 0 40 GFAB CCN1C(=O)[C@](O)(CC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 15081814 DUNMFKUXJMBZBR-NRFANRHFSA-N 385.416 2.540 0 40 GFAB COc1cc2c(cc1CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C1)OCO2 19215798 HFLYJMIGXCCOCN-JIGPKXGUSA-N 382.460 2.857 0 40 GFAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CCOC2)C1)c1ccccn1 19400506 KURHUPKLZRHODK-WFXMLNOXSA-N 380.492 2.696 0 40 GFAB CC[C@H](Sc1nc2c(=O)[nH]cnc2n1C)C(=O)Nc1cccc(Cl)c1 19625804 OWTCPXDZVGMLHK-NSHDSACASA-N 377.857 2.819 0 40 GFAB biogenic,in-vitro Cc1nc(-c2cncnc2[C@@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)no1 19693844 NPPJYDIHXBLSFF-CQSZACIVSA-N 397.410 2.759 0 40 GFAB CCOc1cc(N2CCN(C(=O)Nc3ccccc3OCC)CC2)nc(C)n1 12223994 IWIAAIYGTZZZEN-UHFFFAOYSA-N 385.468 2.937 0 40 GFAB CCC(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19498760 GCASEPLAGRQEHD-AWEZNQCLSA-N 386.521 2.918 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)[C@H]1COc2ccccc2C1 575614985 BBHJXJWIZIFQRG-QGZVFWFLSA-N 392.503 2.692 0 40 GFAB COc1cccc(OC)c1C(=O)O[C@H](C)C(=O)N1CCc2sccc2C1 22680784 YKCBDHUXGLDUFV-GFCCVEGCSA-N 375.446 2.896 0 40 GFAB O=C(CC(F)(F)F)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988944 OIUQXUKZDLBJRU-QGZVFWFLSA-N 388.361 2.893 0 40 GFAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc2ncsc2c1 253473029 RBVVYRBMSGDRFG-OAHLLOKOSA-N 381.413 2.746 0 40 GFAB COc1ccc2cc(CCNC(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 4032880 UDWGJFPKCJDUNY-UHFFFAOYSA-N 382.416 2.526 0 40 GFAB CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 5222833 WXGGWPXDGYVWPT-UHFFFAOYSA-N 389.502 2.726 0 40 GFAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1OC 10324296 JJATZTGTFLFZQS-GFCCVEGCSA-N 390.461 2.667 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)n(C(C)C)n1 11695203 BSZUREOWCRYJQS-UHFFFAOYSA-N 376.482 2.808 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965679 JOKWLZFUOYJDEG-FQEVSTJZSA-N 395.459 2.811 0 40 GFAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)NC(C)C)nnc12 33255062 RNDWOXNDLKFQLJ-UHFFFAOYSA-N 393.900 2.724 0 40 GFAB O=S(=O)(NCc1nccnc1-c1ccco1)c1ccccc1Br 575618216 FPMPGFATLZSTHF-UHFFFAOYSA-N 394.250 2.978 0 40 GFAB C[C@@H](c1nc(C2CC2)no1)N1CCC(NS(=O)(=O)c2cccs2)CC1 40153434 OKXRZICEBIXHGI-NSHDSACASA-N 382.511 2.512 0 40 GFAB COc1cccc(OCCNC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1 100236409 XADXJLZBFUPZNE-WZGNDQMWSA-N 386.492 2.665 0 40 GFAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)COc1ccc(Br)cc1 21576497 GQYQYHWYGFYCNB-ZDUSSCGKSA-N 382.254 2.508 0 40 GFAB O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)N1CCOCC1 33325122 NUBJQXHGHQWYHZ-UHFFFAOYSA-N 383.379 2.780 0 40 GFAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1 676423 JLCTVMLOIKRUGY-UHFFFAOYSA-N 395.550 2.864 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2CCO 646720 KPZAOZZWNNPUFO-UHFFFAOYSA-N 377.857 2.511 0 40 GFAB COc1ccc(Br)cc1S(=O)(=O)NCCN1CCCCCC1 24683022 ANWZRDIAJRDFRS-UHFFFAOYSA-N 391.331 2.612 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 932347 OPJIAIVRUHASJL-CHWSQXEVSA-N 391.497 2.561 0 40 GFAB CC(C)[C@H](C)N(C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C1CC1 55306253 WAPYOMJPNYGSTE-ZDUSSCGKSA-N 378.494 2.889 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 4505670 KMPWIUJIVJKOPF-UHFFFAOYSA-N 387.457 2.884 0 40 GFAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 4861055 WBTUGHSRQNWMSQ-CYBMUJFWSA-N 388.917 2.666 0 40 GFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)c1 6023993 PPQPJKGHKRBIKR-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COCCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccncc1 6327504 JNHIJTZOQLQEGY-UHFFFAOYSA-N 377.514 2.724 0 40 GFAB COCCNC(=O)Cn1cc(/C=C2/SC(=S)N=C2O)c2ccccc21 1777537 DRTUEOVXTXCANF-RIYZIHGNSA-N 375.475 2.733 0 40 GFAB CC(=O)c1cccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)c1 8034323 QNZKHHWBAHNHTN-UHFFFAOYSA-N 378.425 2.726 0 40 GFAB O=C(Nc1cccc(-n2cnnn2)c1)C1CCN(C(=O)Nc2ccccc2)CC1 27227215 UBMKJILABGOIHP-UHFFFAOYSA-N 391.435 2.545 0 40 GFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 44840112 IIVUKOCUPGNFDH-AWEZNQCLSA-N 381.432 2.782 0 40 GFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)no1 2136454 JAJVYBKAAHOZPV-UHFFFAOYSA-N 396.494 2.643 0 40 GFAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 12526639 TVVGHBXDIZBQBL-QGZVFWFLSA-N 383.517 2.949 0 40 GFAB CC[C@@](C)(CO)NC(=O)Nc1ccc(C)c(NC(=O)N[C@@](C)(CC)CO)c1 72289101 MLXNADXKIGOFHN-OALUTQOASA-N 380.489 2.560 0 40 GFAB COc1cc(NC(=O)CCNC(=O)OC(C)(C)C)ccc1N1CCCC1=O 11446884 CGZPPSZUIBDRDC-UHFFFAOYSA-N 377.441 2.675 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1 2627167 HECUFXRIUOALMW-UHFFFAOYSA-N 390.505 2.698 0 40 GFAB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc3nsnc3c2)CC1 21595540 MCGCKTQDUPMGAZ-UHFFFAOYSA-N 381.461 2.612 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CCSc2c(F)cccc21 12622661 KOLCIFZQCYFTCP-HNNXBMFYSA-N 399.447 2.572 0 40 GFAB Cc1ccc(OS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(Br)c1 12787032 QCVZTNBUIIYXPQ-UHFFFAOYSA-N 398.234 2.856 0 40 GFAB CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@H]1c1ccccc1 12745585 RJMIIAGVXRELLI-ZDUSSCGKSA-N 376.463 2.502 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1F 3347077 PULBBWMJGZSPTN-INIZCTEOSA-N 384.407 2.665 0 40 GFAB CN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)[C@@H]1CCCc2ccccc21 29950510 RLDXFYCRONZYOA-QGZVFWFLSA-N 397.866 2.618 0 40 GFAB COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 3445719 AWQNZGIYCOIEMH-UHFFFAOYSA-N 383.734 2.740 0 40 GFAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCOc2ccc3ccccc3c2)c1 12981440 UTFFHARHPBJDFV-UHFFFAOYSA-N 398.484 2.865 0 40 GFAB COc1ccccc1COC[C@@H](O)CN1c2cccc3cccc(c23)S1(=O)=O 12977042 JJMUENDQKOJSIJ-KRWDZBQOSA-N 399.468 2.935 0 40 GFAB CCCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O 13042478 CNRPRUTZNXLMLT-UHFFFAOYSA-N 394.422 2.644 0 40 GFAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 3886296 IEFVFKOHASQYES-MRXNPFEDSA-N 378.837 2.796 0 40 GFAB C[C@H](C[S@@](C)=O)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 96012207 OJDYDHPLMJMJNO-SRGMZFCMSA-N 388.518 2.835 0 40 GFAB CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 4029904 OCQUTXHKSGAQNP-SFHVURJKSA-N 383.492 2.814 0 40 GFAB biogenic Cc1oc2cc(OCC(=O)N3CCN(C)CC3)ccc2c(=O)c1-c1ccccc1 13654263 QZQATYDWIPDNSU-UHFFFAOYSA-N 392.455 2.921 0 40 GFAB biogenic CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccccc1OC 64837178 BNMVDLMMOHDQJU-UHFFFAOYSA-N 385.445 2.809 0 40 GFAB O=C(CNC(=O)c1ccc(Br)o1)NCCCCOc1ccccc1 13985361 UFJLVVLQZUDDFU-UHFFFAOYSA-N 395.253 2.747 0 40 GFAB COc1ccc(CCNC(=O)CSCC(=O)NCc2ccc(C)cc2)cc1 9384911 XPUTZRJQSDNVNR-UHFFFAOYSA-N 386.517 2.712 0 40 GFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCCc4ccccc43)cc2)C1=O 19797411 TYWTVQLLNJHEJJ-CQSZACIVSA-N 384.457 2.592 0 40 GFAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 6753017 KRFWRUQOPREVLJ-HXUWFJFHSA-N 379.416 2.719 0 40 GFAB CCNC(=O)NC1CCC(OC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 66536999 BJRKFTGYOGHKAO-UHFFFAOYSA-N 377.466 2.518 0 40 GFAB CC/C(Nc1cccc(C(=O)O)c1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9460954 WSPNNVVGKMMATH-WUKNDPDISA-N 393.399 2.739 0 40 GFAB COc1ccc(C(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)c(OC)c1 4943514 AEQDXSIOHJOCNL-UHFFFAOYSA-N 399.403 2.701 0 40 GFAB O=C(Nc1ccsc1C(=O)N1CCC(N2CCCCC2)CC1)c1cnccn1 67335746 VFMOJKZYIPKXCJ-UHFFFAOYSA-N 399.520 2.881 0 40 GFAB COc1ccccc1CNC(=O)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 7306028 JQJBEYLRQRNSBS-UTKZUKDTSA-N 382.485 2.902 0 40 GFAB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7445976 ZQGSGQMFRPGBCV-CQSZACIVSA-N 390.461 2.671 0 40 GFAB N[C@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 16012075 WSIWKIPAPLJMHP-OAHLLOKOSA-N 377.853 2.939 0 40 GFAB COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 9515184 LEQHAFIYYZARFT-UHFFFAOYSA-N 389.477 2.542 0 40 GFAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccccc1F 7956784 YIOQEWSQVVLUTI-UHFFFAOYSA-N 377.441 2.661 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1F 8071523 DSRZLJVCRNYSOD-UHFFFAOYSA-N 385.439 2.797 0 40 GFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc2c(c1)OCO2 8157191 GZTMCQGXQGXLOL-LLVKDONJSA-N 394.478 2.589 0 40 GFAB COc1ccc(Cl)cc1NC(=S)NNS(=O)(=O)c1ccc(F)cc1 17079559 YTIFZMGHWHMVLC-UHFFFAOYSA-N 389.861 2.668 0 40 GFAB O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 17079301 XJXJNANBVKEICH-UHFFFAOYSA-N 388.445 2.631 0 40 GFAB CC(=O)N(CCCNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)C(C)C 69597997 HABIGQYBDAYPRT-UHFFFAOYSA-N 376.501 2.983 0 40 GFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8622729 IGVDORDAZKZVCP-KRWDZBQOSA-N 393.230 2.794 0 40 GFAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1C 8667863 WXXLBNQVSASKHX-CQSZACIVSA-N 395.507 2.957 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(F)c1 20801028 GTSWXTBWDXGOKJ-RBUKOAKNSA-N 395.434 2.590 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(COc2ccc(Cl)cc2C(N)=O)n1 19042591 NNURJXOTODCPIK-UHFFFAOYSA-N 384.827 2.837 0 40 GFAB Cc1occc1C(=O)N1CCO[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306124526 BSTAOGLFVHHGHJ-LJQANCHMSA-N 389.415 2.906 0 40 GFAB COc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1S(=O)(=O)N(C)C 9956843 PYYQADDHAGJIQN-KRWDZBQOSA-N 388.489 2.923 0 40 GFAB COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)c2cnn(-c3ccccc3)n2)cc1 89438809 OSOVTJUUZPQSMV-WOJBJXKFSA-N 378.432 2.614 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCC2)c1 22229602 NSAKOBRXOOSXAC-KRWDZBQOSA-N 380.510 2.606 0 40 GFAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)Nc1ccccc1F 64593456 MFUKGPXWHVDORG-UHFFFAOYSA-N 395.419 2.750 0 40 GFAB CCCCC(=O)NC(=S)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 408623065 QRRZLBPDRHJHOL-UHFFFAOYSA-N 388.522 2.842 0 40 GFAB Cc1cc(C)cc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 408733796 RHWPASTVJXMRNH-MSOLQXFVSA-N 399.450 2.780 0 40 GFAB O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 39964134 CEARVSORPPHQTH-MRXNPFEDSA-N 390.399 2.844 0 40 GFAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1F 35572294 ZSMCDNAFXWSARV-IBGZPJMESA-N 398.434 2.744 0 40 GFAB Cc1cc(O)nc(N2CC[C@@H](Nc3nc(-c4cccnc4)nc4c3CCC4)C2)n1 1515968226 BMHUDSVEVPHQEZ-OAHLLOKOSA-N 389.463 2.522 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4cccs4)C[C@H]2S3(=O)=O)cn1 306140563 UXKZOKZJIXLHGU-IEBWSBKVSA-N 385.514 2.904 0 40 GFAB CN(CCCN1C(=O)[C@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12)c1ccccc1 524729365 QHJLXIKEMIKXSQ-GREBRCKQSA-N 393.487 2.739 0 40 GFAB biogenic COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1N1CCCC1=O 30848971 QLVYARHDJCICGQ-UHFFFAOYSA-N 386.473 2.964 0 40 GFAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccccc4C)C3=O)CC2)cc1 215727560 KPQWQNOTVYSQDR-NRFANRHFSA-N 391.471 2.652 0 40 GFAB O=C(NCC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1)OCc1ccccc1 220756014 DTRPUVNDSIGOCD-MRXNPFEDSA-N 398.463 2.655 0 40 GFAB COC(=O)CSc1nnc(NC(=O)Cc2ccc(Cl)cc2F)s1 224364598 RKBRJIZLUAEDGT-UHFFFAOYSA-N 375.834 2.777 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220307090 CAOCHCJCPDKQAD-LBPRGKRZSA-N 378.425 2.822 0 40 GFAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc(I)cc1 222388809 OEDCLHKPZZFZSE-QHSBEEBCSA-N 393.224 2.988 0 40 GFAB Cc1cc(C)cc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 224078580 NXSKNCHOTLYBRG-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 223013989 JNQLZIPTDJXRIM-SFHVURJKSA-N 384.476 2.936 0 40 GFAB COC1(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc2C1 225722469 YDKCADWRKKTNLD-UHFFFAOYSA-N 392.377 2.944 0 40 GFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C 222870210 UTEZPOUPDLYXRH-QGZVFWFLSA-N 384.476 2.854 0 40 GFAB CCOc1cccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222559134 UMBVHRWMCUJGDN-UHFFFAOYSA-N 388.489 2.945 0 40 GFAB Cc1cc(Cc2ccccc2)cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 257309620 UBQPDXCANIPGTA-OAQYLSRUSA-N 376.460 2.928 0 40 GFAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CCN(c4ccccc4)CC3)n2)c1 256047619 NLSXJAVVUXREQI-UHFFFAOYSA-N 377.448 2.909 0 40 GFAB Cc1ncc(C(=O)N2CCO[C@@H](c3cccc(-c4c(C)noc4C)n3)C2)cn1 257224870 FDTNTSRKODUASM-GOSISDBHSA-N 379.420 2.666 0 40 GFAB CCc1cnc2[nH]cnc(NCc3cccc(CN4CCC[C@@H](C(N)=O)C4)c3)c1-2 1611958716 RAYCBXWHFGTXEA-GOSISDBHSA-N 392.507 2.781 0 40 GFAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 623133797 PLLYNZRSYUCUCH-YQVWRLOYSA-N 398.511 2.939 0 40 GFAB O=C(Nc1cccnc1-c1ccccc1)N1CCC[C@H](n2cc(CO)nn2)C1 652763812 ZILMSWFSDAEMLD-KRWDZBQOSA-N 378.436 2.701 0 40 GFAB C[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1nc(C(F)(F)F)no1 1623586709 HXCXAMLGKADVQB-MRVPVSSYSA-N 381.318 2.767 0 40 GFAB Cc1ncc(CC(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)s1 575605630 GNEJUYLZEUOBBE-INIZCTEOSA-N 382.482 2.522 0 40 GFAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)N3CCCCCC3)CC2)C1 12365545 VVKKDDNMOQMOGD-UHFFFAOYSA-N 399.535 2.665 0 40 GFAB Cn1cc(CN2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)cn1 19290641 CSCODMREHUDBIK-UHFFFAOYSA-N 393.413 2.767 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19687655 CMSMEOZQHNQXSB-FQEVSTJZSA-N 378.407 2.820 0 40 GFAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3F)N2C(=O)c2cnccn2)N1 19712109 IBZAYCQGXAPFRS-HHXXYDBFSA-N 382.439 2.500 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccnn2C)c2ncccc12 649977321 PHIUCNUBGCGROT-MRXNPFEDSA-N 386.477 2.893 0 40 GFAB O=C(NCCOc1ccccc1)NCC1CCN(C2CCSCC2)CC1 245060726 PXWIBWYRZYDUAL-UHFFFAOYSA-N 377.554 2.972 0 40 GFAB O=C([C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1)N1CCCC1 19372590 HEXJTISKUBANNB-NHCUHLMSSA-N 398.528 2.583 0 40 GFAB CNC(=O)NC(=O)[C@H](C)OC(=O)/C(=C/c1ccccc1OC)c1ccccc1 3356475 QKVPEGCZAQWXEJ-DLRWLJPMSA-N 382.416 2.623 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCO[C@H](C)C3)C2)c2ccccc12 11500218 DVQJBFREBNCJFH-IAGOWNOFSA-N 396.487 2.948 0 40 GFAB Cc1nc(C2CC2)nc(N2CCN(Cc3nnc(C4CCOCC4)o3)CC2)c1C 1888863943 IKCAEZKIGIUFHW-UHFFFAOYSA-N 398.511 2.570 0 40 GFAB O=S(=O)(N[C@@H]1CCCN(c2ncc(Br)cc2Cl)C1)C1CC1 1888928883 QZKZHZIDTBJRHD-SNVBAGLBSA-N 394.722 2.548 0 40 GFAB CN(c1ccccn1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1889149558 SASVEZZKYJMWNL-QGZVFWFLSA-N 378.476 2.562 0 40 GFAB O=c1[nH]c(CN2CCN(CCOc3ccc(Cl)cc3)CC2)nc2ccccc12 22771291 LPQUSVWUONFURF-UHFFFAOYSA-N 398.894 2.773 0 40 GFAB CN1CCC(C)(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 2037841171 ZAXLNTRKRIJHIU-HSZRJFAPSA-N 399.535 2.533 0 40 GFAB CC(C)CN1CC[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2CC1 2056223315 FTCKECXBZKHKCJ-HDICACEKSA-N 378.538 2.610 0 40 GFAB O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1C[C@H]1CCCO1 706554 FYFPYAMNHATJAP-CYBMUJFWSA-N 376.368 2.630 0 40 GFAB Cc1ccc(N2C[C@H](NC(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)cc1C 4373249 YVSHQKAHOVLKCF-SJLPKXTDSA-N 395.459 2.548 0 40 GFAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)NC1CCCCC1 5152792 QPBANESAMOFORN-LJQANCHMSA-N 381.476 2.949 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)/C=C/c4ccccc4)cnc32)cc1C 9563085 RQZHZHCMWXUYQM-PKNBQFBNSA-N 385.427 2.983 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 10327601 WZMNAOUCBSHCRX-UHFFFAOYSA-N 391.830 2.775 0 40 GFAB Cc1ccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1 17042357 VSDHXPOELRFWRS-UHFFFAOYSA-N 388.427 2.637 0 40 GFAB O=C(CSc1nc2ccccc2s1)NCCn1ccnc1-c1cnccn1 585147604 AWDGCEFWLSQEMT-UHFFFAOYSA-N 396.501 2.858 0 40 GFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)NC1CCC(n2cccn2)CC1 618257272 UFPNSOJSRHKSSO-UHFFFAOYSA-N 392.459 2.956 0 40 GFAB CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NC[C@@H]2CCCc3ccccc32)c1 40059925 JHLFAXGKEBDQHM-INIZCTEOSA-N 389.521 2.895 0 40 GFAB C[C@@H]1Oc2c(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cccc2[C@@H]1C 40042736 TVXAJTWIKCWZSC-CVEARBPZSA-N 394.471 2.973 0 40 GFAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O 40478562 QYECOLAIJRVWGE-UHFFFAOYSA-N 399.878 2.789 0 40 GFAB CCOC(=O)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c(C)c(C)sc21 32073307 CCIDLUOKLVLMFO-UHFFFAOYSA-N 396.472 2.876 0 40 GFAB COc1ccc2c(ccn2CC(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 20723015 JWANMNWDHWXFRL-UHFFFAOYSA-N 398.551 2.716 0 40 GFAB O=C(c1c[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 32744557 BLRZAUYIQGMSDS-UHFFFAOYSA-N 377.444 2.897 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)s1 32863695 VOGTYACJUVKQHS-UHFFFAOYSA-N 385.489 2.599 0 40 GFAB Cc1noc(C)c1CCC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 22304690 PXCPNOHQFSRZSO-RYUDHWBXSA-N 378.498 2.928 0 40 GFAB Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3nccnc3N)cs2)c1 22466063 FBVMJNGLMPVYBJ-UHFFFAOYSA-N 397.460 2.670 0 40 GFAB Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)cc1 22939877 TYEWANBSBNFHKQ-UHFFFAOYSA-N 391.519 2.924 0 40 GFAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(C)cc2)c(C(=O)OC)c1C 730161 GUHXUKLVJGWIMP-UHFFFAOYSA-N 383.447 2.739 0 40 GFAB O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 2620327 KLERYDLRCJTAMQ-UHFFFAOYSA-N 382.441 2.961 0 40 GFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1c(Cl)cccc1Cl 3248332 WVOHBKFZJSYDPD-UHFFFAOYSA-N 385.228 2.777 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)Cc2cccc3ccccc23)c(=O)[nH]c1=O 3528686 ZEMSEYLAUWOJJG-UHFFFAOYSA-N 394.475 2.668 0 40 GFAB COc1cccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)c1 4853641 ZTNHUVKFRQNQOG-UHFFFAOYSA-N 395.437 2.676 0 40 GFAB CCC(C)(C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4998903 UYKUCPWHNFGNLA-SFHVURJKSA-N 399.535 2.891 0 40 GFAB COc1ccccc1CN(C)C(=O)CN1CCc2cc(OC)c(OC)cc2C1 5347658 MHZZMXSMXGHPBN-UHFFFAOYSA-N 384.476 2.729 0 40 GFAB COc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 6810944 OALWPEDLFOFAIT-QGZVFWFLSA-N 377.437 2.664 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)=O)cc2)C1=O 7078067 BNZQVDFFAULBRD-ZRRZQRFHSA-N 377.418 2.990 0 40 GFAB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 7078166 DJMFALOJMASMCK-BVBCSLMJSA-N 396.241 2.737 0 40 GFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1 7323783 WLFFSMPZIPYKAN-CYBMUJFWSA-N 390.461 2.802 0 40 GFAB CCCn1c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)n[nH]c1=O 7699090 RTJNRPZOGHKHSB-AWEZNQCLSA-N 378.498 2.554 0 40 GFAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O)c1ccc(F)cc1 7881758 FMHHEDODZBBORT-UHFFFAOYSA-N 388.782 2.868 0 40 GFAB Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8078940 JXQDWNRWMZZULD-MRXNPFEDSA-N 392.452 2.844 0 40 GFAB O=S(=O)(Nc1nc2ccccc2nc1NC1CC1)c1ccc2c(c1)OCCO2 8148430 DYNIOHIJVJBERQ-UHFFFAOYSA-N 398.444 2.776 0 40 GFAB O=C(CNC(=O)c1cnc2ccccc2n1)Nc1ccccc1Br 8332275 JDQMIEKXHDNPDH-UHFFFAOYSA-N 385.221 2.761 0 40 GFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(N2C(=O)CCC2=O)c1 8392177 NKYXOZYDZVKFBI-UHFFFAOYSA-N 377.400 2.719 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8896325 NLQYDMZWBOGSTA-AWEZNQCLSA-N 395.481 2.563 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2OC(F)F)s1 8993833 NJPIDYDVGTZAHG-UHFFFAOYSA-N 390.433 2.694 0 40 GFAB O=C1C[C@H](CNS(=O)(=O)c2ccccc2Cl)CN1c1ccc(F)cc1 9036453 MPZDHMGCNFYVTM-GFCCVEGCSA-N 382.844 2.811 0 40 GFAB CCc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)s1 9660992 MHVHQRLNDHPMRE-UHFFFAOYSA-N 389.502 2.513 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)c2ccccc2O1 9685320 GVGPIRGJHVJURR-MRXNPFEDSA-N 394.349 2.624 0 40 GFAB O=C(CNC(=O)c1cccc(F)c1)Nc1nc2cc3c(cc2s1)OCCO3 11752006 VOBZVZIYLMUJAN-UHFFFAOYSA-N 387.392 2.575 0 40 GFAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)C2CCCC2)CC1 12187215 QGYNCKSUMINNLX-UHFFFAOYSA-N 383.492 2.503 0 40 GFAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 12550829 GUANTPYXMYMIEP-NSHDSACASA-N 378.416 2.925 0 40 GFAB O=C(/C=C/c1nc2ccccc2o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12569275 CFZGTTIZUDVUAF-BQYQJAHWSA-N 391.427 2.914 0 40 GFAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F 12761194 MGXCJSXFWXHZRX-OAHLLOKOSA-N 398.406 2.567 0 40 GFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 12943778 QZJWEGZQIWLIRA-IRXDYDNUSA-N 393.553 2.625 0 40 GFAB C[C@H]1CN(C(=O)CNc2ccccc2C(=O)NCc2ccccc2)C[C@@H](C)O1 13026951 DGRXITACZCWSAU-CALCHBBNSA-N 381.476 2.664 0 40 GFAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(OC)c2)cc1 13097200 DZODVMAJWOBLMC-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB CCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1C 14022706 HCSZDUPKYMAYPC-IBGZPJMESA-N 392.459 2.952 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCc1cccs1 14898483 MKVIECVKIAKTBP-UHFFFAOYSA-N 383.399 2.723 0 40 GFAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 16093063 ZWJIJYDILXIRSR-UHFFFAOYSA-N 394.880 2.575 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 17480678 GSYOAPGYJQHMGB-UHFFFAOYSA-N 392.264 2.857 0 40 GFAB Cc1nc2ccccc2c(=O)n1Cc1cc(=O)[nH]c(NCc2cccs2)n1 19286629 FVFORWVQFHTQSH-UHFFFAOYSA-N 379.445 2.510 0 40 GFAB CC1CCN(c2nc(=O)cc([C@H](C)NCc3ccc4c(c3)OCCO4)[nH]2)CC1 19497028 GZYOBMMZHZPESJ-HNNXBMFYSA-N 384.480 2.628 0 40 GFAB COc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 19552204 UNWMUYPBVGVDMH-KRWDZBQOSA-N 392.459 2.839 0 40 GFAB CN1CCc2nc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 19590510 BMMVTEYVDHJAMA-FQEVSTJZSA-N 390.491 2.568 0 40 GFAB COc1ccccc1CNC(=O)c1cc([C@H]2CCN(Cc3ccccn3)C2)n[nH]1 19707714 WPWLBIRNAAACPP-KRWDZBQOSA-N 391.475 2.733 0 40 GFAB Cc1nc(C2CCN(Cc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 19751987 YEXKHINNTVUGFR-UHFFFAOYSA-N 380.492 2.637 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(Nc1ccc(C)cn1)C(F)(F)F 19944463 ROSLCISOGSLYBC-KRWDZBQOSA-N 381.354 2.972 0 40 GFAB CCOc1ccccc1CNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 20106677 XABIHOQGSJVGJP-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN(C)C)cc2Cl)cc1 20494295 WXHPWQOKFYFAPW-UHFFFAOYSA-N 395.912 2.741 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)CC1 21451236 GRJMUFZWTLBRPW-CYBMUJFWSA-N 378.494 2.927 0 40 GFAB COc1ccc(C(N)=O)c(OCC(=O)Nc2cccc(Br)c2)c1 21472098 WEXZDWXESMOWCI-UHFFFAOYSA-N 379.210 2.574 0 40 GFAB Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(C)CC3)c(O)n2n1 22465872 PCWZLOBSDPMDJZ-CQSZACIVSA-N 377.901 2.795 0 40 GFAB COc1ccc(CN(C)C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1F 23734718 FLFGEWGLUZEIKV-UHFFFAOYSA-N 399.422 2.558 0 40 GFAB O=C(NCCCN1CCOCC1)c1ccc(COc2ccc(F)cc2F)o1 27983708 RZABMHIOJKWGQZ-UHFFFAOYSA-N 380.391 2.589 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCc1ccccc1 28208512 OURASMUMYCTEEM-UHFFFAOYSA-N 386.517 2.763 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C[C@@H]1Oc2ccccc2NC1=O 32719559 LUDPTNBJGOOEPG-INIZCTEOSA-N 396.403 2.858 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)s1 32854954 ANDSJUVRUCNQKI-UHFFFAOYSA-N 388.854 2.567 0 40 GFAB C[C@H](OC(=O)c1ccc(Cn2cccn2)o1)C(=O)Nc1ccc(F)cc1F 32913713 SKMJBZQFDGLRBQ-NSHDSACASA-N 375.331 2.987 0 40 GFAB CCOc1ccc(NCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 36397181 KERUTQQTNFGKID-UHFFFAOYSA-N 386.404 2.709 0 40 GFAB O=C1C[C@@H](c2ccc(OCCOc3ccccc3Cl)cc2)N2N=CNC2=N1 38183585 YNWPDKPEYHRRLK-INIZCTEOSA-N 384.823 2.974 0 40 GFAB CCN(CC)C(=O)Cn1cc(/C=C2\NC(=S)N(CC)C2=O)c2ccccc21 39556400 LXXGLMHFSHGMHX-WJDWOHSUSA-N 384.505 2.587 0 40 GFAB CC(=O)CCc1ccc(OC[C@@H](O)CNCC2(N(C)C)CCCCC2)cc1 39779538 UHJVAKKJNDNZMR-FQEVSTJZSA-N 376.541 2.802 0 40 GFAB Cc1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)N2CCOCC2)o1 40013209 SSTVTCRMXZHTRU-QGZVFWFLSA-N 378.856 2.810 0 40 GFAB Cc1ccc(F)c(S(=O)(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 40149789 NGGHTZVWKKUUKX-SFHVURJKSA-N 376.453 2.776 0 40 GFAB COC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c(F)cc1F 43975704 WUQNRLNFTKGZIA-UHFFFAOYSA-N 390.342 2.654 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC1CCCCC1 44374131 VBYYEMXJXXNMKT-UHFFFAOYSA-N 394.537 2.956 0 40 GFAB COc1cc(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc(OC)c1 44841799 MTSSSMCEAVRDAV-UHFFFAOYSA-N 376.796 2.721 0 40 GFAB O=C(NCCNC(=O)c1cc(Br)ccc1Cl)c1ccc(O)cc1 47552630 NRFLKXFOXLQICY-UHFFFAOYSA-N 397.656 2.968 0 40 GFAB CCOC(=O)N1CCC(NC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 47985750 RYFGWFQLHNAZRZ-UHFFFAOYSA-N 388.468 2.630 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)N1CCCC1 48313934 AVAVAQHMHYSUSR-HXUWFJFHSA-N 399.535 2.597 0 40 GFAB COC(=O)c1ccc2c(=O)n(Cc3ccc(F)cc3)c(N3CCSC3)nc2c1 49006473 JYXHTLMQUPXPGN-UHFFFAOYSA-N 399.447 2.881 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)c3cncc(Br)c3)CC2)no1 49027036 MBYRHZGOIDSDPA-UHFFFAOYSA-N 393.241 2.631 0 40 GFAB Cc1csc(CCNC(=O)CCc2nc(=O)c3c(C)c(C)sc3[nH]2)n1 58174269 SHIDPGBWZRCTMN-UHFFFAOYSA-N 376.507 2.658 0 40 GFAB O=C(CN1CCOc2ccccc21)Nc1ccccc1S(=O)(=O)C(F)F 58366187 YSDPGXPFTMSXNR-UHFFFAOYSA-N 382.388 2.520 0 40 GFAB COC(=O)c1c(NC(=O)C(=O)c2c(C)nn(C)c2C)sc2c1CCCCC2 59253636 SDZPWCQAODMTJS-UHFFFAOYSA-N 389.477 2.975 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccnc(-n3ccnc3)c2)C(C)C)cc1 62580846 XWRWYHSLFUKBLO-HXUWFJFHSA-N 391.475 2.647 0 40 GFAB COc1cccc2c1ccn2CCNC(=O)CCn1cnc2ccccc2c1=O 70666179 MSHPGASCHJDCIT-UHFFFAOYSA-N 390.443 2.566 0 40 GFAB biogenic Cc1cccc(-c2ccc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c(=O)[nH]2)c1 72283568 XQAZGTUFAAHBSC-IRXDYDNUSA-N 397.519 2.968 0 40 GFAB CSc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72393026 YUVMSUACHIXYBZ-INIZCTEOSA-N 394.504 2.723 0 40 GFAB CC(=O)N1CCC(N2C[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)[C@H](F)C2)CC1 96112330 FYLVHTLTKLCDMQ-XLIONFOSSA-N 388.487 2.730 0 40 GFAB biogenic,in-vitro Cn1ccnc1CN1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 96242622 XNOUNBLMGMIOKA-UHFFFAOYSA-N 392.482 2.903 0 40 GFAB C[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1nncn1C 103593441 GUTSDOWKYRDCIP-ZDUSSCGKSA-N 381.440 2.515 0 40 GFAB C[C@H](NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 105886299 WPPFOHXLEKJQTI-RYQLBKOJSA-N 387.480 2.530 0 40 GFAB COc1cccc(N(CCCC(=O)Nc2ccccc2OC)S(C)(=O)=O)c1 113966724 QVOFDKCLAAOLLI-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2c2nc(-c3ccccc3)no2)cn1 208571603 QCWDVEFLPTWDEL-YQQAZPJKSA-N 399.476 2.867 0 40 GFAB CCCc1ccc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 223863182 KOURQYGEBOHJIT-UHFFFAOYSA-N 390.505 2.844 0 40 GFAB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 223869152 JWKJJMTWDBMURC-ZIAGYGMSSA-N 377.462 2.743 0 40 GFAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccc(C)cc1 224126271 OMYWSYHXCNPZQP-UHFFFAOYSA-N 382.460 2.920 0 40 GFAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCc2nn(C)c(=O)cc2C1 225787291 VBEKBEMIHCYYCK-CYBMUJFWSA-N 398.850 2.684 0 40 GFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(OC[C@H]2CCCO2)nc1 244970177 HNCLIDDZJMSTCT-MRXNPFEDSA-N 380.404 2.619 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1OC 253474956 MFOJTRGCSTYDBP-CKDFRHGISA-N 378.432 2.866 0 40 GFAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408702783 CVZAESGGKLXSEA-CQSZACIVSA-N 390.461 2.559 0 40 GFAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCCC2)c1 408709935 JBEYZBJAAHHFBV-UHFFFAOYSA-N 395.459 2.623 0 40 GFAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 575405733 ZMXXWFSTPMPEQN-NQIIRXRSSA-N 394.471 2.610 0 40 GFAB O=S(=O)(NCc1nccnc1-c1ccoc1)c1ccccc1Br 575619294 CIUUEVIWQRKLRH-UHFFFAOYSA-N 394.250 2.978 0 40 GFAB COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1[C@H]2CC[C@H]1CC1(CC1)C2 626579373 UTSSTHSDDWFANX-GJZGRUSLSA-N 393.509 2.683 0 40 GFAB COC1(CC(=O)N2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)CCC1 1565542938 LDVOLQDCVRIGGN-PZJWPPBQSA-N 388.508 2.955 0 40 GFAB Cc1nnc([C@H]2CN(C)C(=O)[C@H]3CCN(C(=O)C4CCC(C)CC4)CC[C@H]32)o1 1565549151 QVOORWUGDRZYAV-HELJDXQESA-N 388.512 2.615 0 40 GFAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)C3CCCC3)C[C@H]1CO2 1772594838 ZNSMRGNTXOJMND-SFHVURJKSA-N 385.508 2.844 0 40 GFAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2csc(C)n2)C1 2055751140 LMSHMMKREMNSQJ-HXUWFJFHSA-N 388.537 2.661 0 40 GFAB FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCOCC2)=N1 1274626 BUTCTGFFNHTJNL-UHFFFAOYSA-N 381.276 2.973 0 40 GFAB COCC(=O)N(Cc1cc2cc3c(cc2nc1Cl)OCO3)C[C@H]1CCCO1 1329034 NHLRTLQTSBEYRX-CQSZACIVSA-N 392.839 2.771 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc12 1331725 YEUMQZJPZPPYKF-OKILXGFUSA-N 399.520 2.946 0 40 GFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCN1C(=O)[C@@H]3CC[C@](C)(C1=O)C3(C)C)C2=O 2218878 BQQVNSIEULXIPZ-HCIHMXRSSA-N 388.508 2.609 0 40 GFAB COc1cccc(/C=c2\sc3n(c2=O)CN(c2ccc(C)c(Cl)c2)CN=3)c1 2300722 BAHGWLZBSIELAM-NVMNQCDNSA-N 399.903 2.764 0 40 GFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(F)c(F)c1F 3297548 OCDAVVGGMZYHFR-UHFFFAOYSA-N 376.290 2.741 0 40 GFAB Cn1cccc1C(=O)NC(=O)CSc1ncnc2sc3c(c12)CCCC3 3370789 AWPORGUWWJNVDY-UHFFFAOYSA-N 386.502 2.957 0 40 GFAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NCCC1=CCCCC1 3371812 OHFOFNGZUKGPTJ-IBGZPJMESA-N 394.475 2.638 0 40 GFAB CC(C)Cn1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 3416557 YSSGFNUVTIMFDP-UHFFFAOYSA-N 393.472 2.907 0 40 GFAB COc1ccc(OCCOC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 3531476 OQWVOTRQGJTQEX-UHFFFAOYSA-N 380.400 2.536 0 40 GFAB CCCCn1c(C)cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 4250995 ULAIGJBKORYKEW-UHFFFAOYSA-N 399.882 2.960 0 40 GFAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccccc1Cl 4351944 QWHVDWKZBTYOAD-UHFFFAOYSA-N 386.791 2.789 0 40 GFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487863 ILXDDQNPLLGHNZ-PAURTPPISA-N 383.828 2.675 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C(C(N)=O)=C(C)N3)cc1 4574623 VYNPBCKSLYJWRY-QGZVFWFLSA-N 379.395 2.867 0 40 GFAB CN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1cccs1 5438098 FOEJDCFXIOQTQK-UHFFFAOYSA-N 376.406 2.609 0 40 GFAB O=C(N[C@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCCC1)c1ccccc1 5444880 JOPIGJOJTVWIFC-HXUWFJFHSA-N 394.471 2.583 0 40 GFAB CCC(CC)c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 5860317 WODLAKCDVPWYET-UHFFFAOYSA-N 382.511 2.944 0 40 GFAB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NC1CCCC1 5970734 GCEUKIMSPRLKGK-OAHLLOKOSA-N 387.480 2.921 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 6455481 XUKXQOZRJFTGEB-KGLIPLIRSA-N 397.493 2.870 0 40 GFAB O=C(/C=C/c1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6472815 GMBOELATKASCRW-GQCTYLIASA-N 396.852 2.606 0 40 GFAB O=C(COC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OCCO2 6612229 YYONTRLSIQMYGE-UHFFFAOYSA-N 382.166 2.609 0 40 GFAB Cc1cc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c(C)n1C[C@H]1CCCO1 6648463 KSKIYQTUIPUIMB-QGZVFWFLSA-N 383.427 2.959 0 40 GFAB Cc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)o1 6810311 LVOVLAAWXJPSBQ-AWEZNQCLSA-N 397.880 2.836 0 40 GFAB Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3sccc3C(N)=O)cc2nc1C 7840559 IGDZUVCTHXFJDP-NSHDSACASA-N 398.444 2.591 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 8216419 NZORHHZUJBMDFR-UHFFFAOYSA-N 392.415 2.783 0 40 GFAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1oc(C(C)(C)C)cn12 8706219 ZWYBSCOUWDCWAX-UHFFFAOYSA-N 386.839 2.940 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC(c4ccccc4)=N3)C(=O)[C@H]2C)cc1 9053794 JLROPFYGORFOCQ-MRXNPFEDSA-N 390.443 2.789 0 40 GFAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3cccnc3)nn21 9926480 OLFKEEJPXGEMBS-CQSZACIVSA-N 382.811 2.824 0 40 GFAB Cc1sc(NC(=O)c2cnc(N(C)C)nc2)nc1-c1ccc2c(c1)OCCO2 12191856 SWYAPFYUOMEFEH-UHFFFAOYSA-N 397.460 2.998 0 40 GFAB Cc1cc(C)cc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 12374063 VDNANKBFYOZTHY-INIZCTEOSA-N 395.507 2.957 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cn1 12551539 ZEUCHJQXSVUGNS-LLVKDONJSA-N 375.812 2.744 0 40 GFAB CCC[C@@H](C(=O)Nc1cc(C)on1)N(CC)CC(=O)NCc1cccs1 12599047 BIPMQLFGMNZDAO-HNNXBMFYSA-N 378.498 2.790 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)cc1 12741790 CREAFPYPEPIWNL-UHFFFAOYSA-N 394.471 2.855 0 40 GFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc2c(c1)CCO2 12756276 FFORVQDZYGJYFC-LZTOIUFZSA-N 386.473 2.502 0 40 GFAB O=C(Cn1nnc2ccccc21)NCc1ccc(COCC(F)(F)F)cc1 12798395 QOGARAPIVGOVCW-UHFFFAOYSA-N 378.354 2.827 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 12926864 WXZRGJBKKLGSAN-INIZCTEOSA-N 376.478 2.524 0 40 GFAB Cc1cc(C(=O)N2CCC(c3nc4ccc(F)cc4cc3C(N)=O)CC2)on1 13225879 PECXHUUZXCNEEY-UHFFFAOYSA-N 382.395 2.789 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1Br 13358508 HIYPWEPCPRBUSD-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB CCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)cc1 13582572 BCLHQGASWPJGCV-UHFFFAOYSA-N 392.477 2.914 0 40 GFAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)CC(=O)N2CCCC2)o1 14094776 CIYFUYPCXVMZGC-UHFFFAOYSA-N 381.436 2.754 0 40 GFAB COc1cc(C[C@H]2COC(=O)[C@@H]2[C@@H](OC)c2ccc(O)c(OC)c2)ccc1O 14646858 XFRKTFIYHNVQBQ-GKCIPKSASA-N 388.416 2.834 0 40 GFAB biogenic COc1ccccc1-c1cc2nc(C)cc(NCCCN3CCOCC3)n2n1 15670923 KGIDZGOMYKQXJX-UHFFFAOYSA-N 381.480 2.848 0 40 GFAB CCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19498845 GYCPOGQNYFSDJS-GOSISDBHSA-N 381.480 2.599 0 40 GFAB CCOc1ccc(CCC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19533161 KYMFKYBLOLVDIU-SFHVURJKSA-N 394.519 2.860 0 40 GFAB COc1ccc(OC)c(CC(=O)N2CC[C@]3(CCc4ccccc4C(=O)N3)C2)c1 19551330 GAOXEKFGQHIOEP-HSZRJFAPSA-N 394.471 2.594 0 40 GFAB CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc12 19754412 SBGZVVWKMRECSY-FQEVSTJZSA-N 375.428 2.808 0 40 GFAB COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1cc(C)ccn1)C(F)(F)F 20426675 LGZVXRSPODHNEP-QGZVFWFLSA-N 397.353 2.672 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)CC1 20487483 PXJLTAOSDXJUDS-ZDUSSCGKSA-N 381.494 2.986 0 40 GFAB COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22362747 XHZHMNNZNKXXDU-INIZCTEOSA-N 390.505 2.955 0 40 GFAB CCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 23145038 BPTLWWQCIZTDMK-UHFFFAOYSA-N 385.942 2.931 0 40 GFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCO[C@H](c2ccccc2)C1 23897970 NYLAGFXZBMDUSV-JNCPLXCYSA-N 382.504 2.919 0 40 GFAB O=C1N/C(=C\c2c[nH]c3ccccc23)C(=O)N1C[C@H](O)COc1ccccc1F 24843910 VPHXEEJPAZMADO-WXARJGPPSA-N 395.390 2.640 0 40 GFAB O=C(Cc1csc(-c2ccsc2)n1)N1CCN(C(=O)c2ccoc2)CC1 25237236 JCOKOQSRODDSRY-UHFFFAOYSA-N 387.486 2.992 0 40 GFAB Cc1ccn(-c2ccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)cc2)n1 36394528 DDTZPYHJJIIMLH-UHFFFAOYSA-N 381.480 2.544 0 40 GFAB CCN(CC)C(=O)COC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 39576346 LERGFPRBMBPJGN-UHFFFAOYSA-N 392.477 2.781 0 40 GFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)c1 40009659 CLDWXCGAAUMVMO-QGZVFWFLSA-N 379.416 2.918 0 40 GFAB COc1ccccc1NC(=O)Cn1cnc2c(oc3nc(C)c(C)cc32)c1=O 40285803 PIOZTQXNPIECMJ-UHFFFAOYSA-N 378.388 2.802 0 40 GFAB CCc1nn2c(nnc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40388390 FZNGRDATQVZSMC-SFHVURJKSA-N 391.431 2.950 0 40 GFAB O=C(c1cccs1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382522 QRBFFGNSPTVBBQ-LSDHHAIUSA-N 384.457 2.565 0 40 GFAB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2cn3ccccc3n2)cs1 45015323 RJGDLGFWQUWGIA-UHFFFAOYSA-N 395.444 2.803 0 40 GFAB CC[C@H](CNC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O)c1ccccc1 47330738 ULPAKHKYSOVASM-MRXNPFEDSA-N 376.460 2.993 0 40 GFAB O=C(Cc1ccc(F)cc1)NCCCCn1cc(Br)ccc1=O 49755675 BOWVJNIESLDFLI-UHFFFAOYSA-N 381.245 2.889 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nnc2ccccn12 52769472 HUKSUQBNQDJJFV-JKSUJKDBSA-N 392.463 2.851 0 40 GFAB CCc1ccc(C(=O)N2CCN(C(=O)c3cc(NC(C)=O)ccc3F)CC2)cc1 53459641 SCSYHLNTFMRVSP-UHFFFAOYSA-N 397.450 2.945 0 40 GFAB COCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)CC1 57710152 QBQYLLDGODUKMI-UHFFFAOYSA-N 395.482 2.793 0 40 GFAB Cc1nc(CN(C)C(=O)NC2CCN(C(=O)c3ccoc3C)CC2)cs1 58341102 WXZIJZRBXSFWNF-UHFFFAOYSA-N 376.482 2.799 0 40 GFAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(C)s1 61211499 VZKWMWBTJUKTCU-UHFFFAOYSA-N 393.534 2.553 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC(C)(C)O1 65606113 XWADSBSQWUXNLJ-CYBMUJFWSA-N 399.468 2.703 0 40 GFAB O=C(NCCCS(=O)(=O)Cc1ccccc1)Nc1cccc(-n2cccn2)c1 69948349 MFYWKYXKASLFFW-UHFFFAOYSA-N 398.488 2.999 0 40 GFAB CCCN(CCC)S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 72301189 XVSOVQWYEUDWNY-UHFFFAOYSA-N 398.554 2.912 0 40 GFAB CS(=O)(=O)Nc1ccc(CNC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1 83987571 PKWSFDZAPPAPSZ-SFYZZRBRSA-N 377.510 2.778 0 40 GFAB CN1CCN(c2ncnc3cc(F)c(F)cc23)[C@H](CNC(=O)OC(C)(C)C)C1 84240632 TZYOSZGEBNXQIO-GFCCVEGCSA-N 393.438 2.553 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCCc1nc2c(s1)CCCC2 89807655 ZQYHTDTXKFBYKX-UHFFFAOYSA-N 385.489 2.644 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)C2)n[nH]1 95966406 VLHJZKSYWQBUSY-CQSZACIVSA-N 393.455 2.513 0 40 GFAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(CC2CC2)CC3)C1=O 96036481 NMBRYCGTPXZXMP-HSZRJFAPSA-N 382.552 2.628 0 40 GFAB CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CCN(C(=O)NC(C)C)CC2 96260534 YNLVNQLVELNNEL-UHFFFAOYSA-N 389.544 2.806 0 40 GFAB O=C(NCC1CC1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96267364 VEVKDELGNIMOMI-UHFFFAOYSA-N 389.503 2.796 0 40 GFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 100790090 HMCCVEHKZOPNBK-DGCWBMGLSA-N 393.443 2.583 0 40 GFAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cccc(SC)c4)C(=O)[C@H]32)c1 101277755 XLAXDXANAMJCNV-IRXDYDNUSA-N 398.444 2.924 0 40 GFAB Cc1noc([C@H]2CCCN(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)C2)n1 102797094 IIWQANNXVQBPOM-AWEZNQCLSA-N 389.431 2.765 0 40 GFAB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)N(C)C1=S 111673409 ZJOHKFMTIMSRAP-PDGQHHTCSA-N 396.516 2.683 0 40 GFAB CC(=O)O[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 214309937 ZITLPPLNBYOLDJ-BUXKBTBVSA-N 383.400 2.930 0 40 GFAB COc1cccc(N([C@H](C)C(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 220175939 MCEBDTCXLOAUMA-OAHLLOKOSA-N 388.489 2.829 0 40 GFAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)n1-c1cccnc1 223610884 VEPSYNJNVIBZDW-UXHICEINSA-N 393.516 2.931 0 40 GFAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224188161 GBZVRIHNDXPMFD-UHFFFAOYSA-N 376.478 2.586 0 40 GFAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)COc1ccc(Cl)cc1 224353140 TZSOSBINQUZDGG-UHFFFAOYSA-N 375.860 2.814 0 40 GFAB COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793083 NEESNGQBEIHIEP-UHFFFAOYSA-N 393.461 2.689 0 40 GFAB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1cccs1 225127250 JAQOZVGIYRGLND-UHFFFAOYSA-N 390.280 2.879 0 40 GFAB COc1ccc(CNC(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)cc1OC 252498807 RLWCPWMIXLQARA-GOSISDBHSA-N 383.448 2.728 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@@](O)(c1ccsc1)c1ccco1)c1ccccc1 253472478 MPMMCCMWDALYRC-JLTOFOAXSA-N 384.457 2.571 0 40 GFAB C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)CN1CCCC1=O 257264959 LWRLPBJPPJMPQO-NABGWTBKSA-N 395.547 2.742 0 40 GFAB COc1ncccc1C(=O)N1CC[C@@H](Cc2cncc(-c3c(C)noc3C)n2)C1 257289078 PWXCJVZWESGQMW-HNNXBMFYSA-N 393.447 2.857 0 40 GFAB CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCCN(C(=O)CCC(=O)O)[C@@H]3C[C@H]21 257290486 QDDVKSQQFRQJKH-NLDJYOPPSA-N 389.448 2.865 0 40 GFAB NCCCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CNCC[C@@H]32)cc1 257307891 TUNRFPITBZEIOI-FKBYEOEOSA-N 379.504 2.632 0 40 GFAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(F)cc2)(c2ccccc2)CC[C@@H]1O 257340785 ZHOCKCXJXWXPHR-FUDKSRODSA-N 398.478 2.933 0 40 GFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCC(N)=O)=N1 408986496 CPGILBHBQJFOGZ-SFHVURJKSA-N 380.473 2.818 0 40 GFAB CCOc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)N(CC(=O)OC)C2=S)cc1 409135366 UOSOOOKLQQZRTO-WJDWOHSUSA-N 385.445 2.561 0 40 GFAB Cc1ccc([C@@H]2CCN(C(=O)Nc3cnc(N4CCNCC4)nc3)C2)c(C)c1 584827234 QNLCBVDPTSUEEF-QGZVFWFLSA-N 380.496 2.524 0 40 GFAB CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CCN1 621150553 HNGMBEQIELIFPL-SFHVURJKSA-N 381.455 2.872 0 40 GFAB Cc1ccc2nc([C@H]3CCCN([C@H]4CCCCN(CC(=O)O)C4=O)C3)[nH]c2c1 643876169 MXDAIOHQYYZKIE-YJBOKZPZSA-N 384.480 2.516 0 40 GFAB C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 1589949255 XCSCLODTGADEDH-AWEZNQCLSA-N 387.447 2.682 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615118116 AOGZIDWNTFTWKY-NRFANRHFSA-N 383.423 2.567 0 40 GFAB Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)ccn1 1615122075 PQDATZWOZRDUGN-UHFFFAOYSA-N 383.423 2.567 0 40 GFAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCN2CCOCC2)N1c1ccc(F)cc1 1615160958 UZASENOGILGIQC-PMACEKPBSA-N 389.515 2.896 0 40 GFAB CCOc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)cn1 1888919572 VSRDUNXESWYAES-CALCHBBNSA-N 391.475 2.575 0 40 GFAB C[C@@H](C(=O)Nc1nc(-c2ccccn2)cs1)n1nc(C(F)(F)F)ccc1=O 1888930692 RXOJTOZPMZYGEN-VIFPVBQESA-N 395.366 2.980 0 40 GFAB Cc1nc(C2CC2)nc(OCC2CCN(c3ncnc4c3cnn4C)CC2)c1C 2086867478 QSSXSHGLTUQEMY-UHFFFAOYSA-N 393.495 2.943 0 40 GFAB CCCC[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2340104 PAAKVALAHQMBGN-SFHVURJKSA-N 393.443 2.867 0 40 GFAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCCCn1cc(Cl)cn1 2778824 NRKBDMTUZUIXKG-UHFFFAOYSA-N 375.782 2.836 0 40 GFAB O=C(NCc1ccccc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216751 DYKXNCZIQKMFGT-UHFFFAOYSA-N 377.421 2.994 0 40 GFAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC(=O)NCc1ccco1 3402225 CXOOKSLQNXSERJ-UHFFFAOYSA-N 392.411 2.981 0 40 GFAB COc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 3481792 FZOVBNYEDPLVRH-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB Cc1sc2nc(SCC(=O)c3ccc(O)cc3O)n(C)c(=O)c2c1C 3569159 MONZMYYZMXNSFP-UHFFFAOYSA-N 376.459 2.998 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)c(OC)c1 4046465 DCOPAJRUJWOCLS-JXFKEZNVSA-N 396.399 2.503 0 40 GFAB biogenic C[C@H]1C(=O)[C@@]23[C@H]4[C@H]5C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H](O)[C@@]41CO5 4268203 ROMZGRYIOOHATE-UDXCBUBYSA-N 390.520 2.934 0 40 GFAB CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 4325642 DDQNHRLWTGLEKF-QGZVFWFLSA-N 392.452 2.878 0 40 GFAB Cc1ccc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 5443750 HLSPOEWLWWJFJS-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc21 5804916 UBCTYUBUPRSFQY-ZDUSSCGKSA-N 380.404 2.838 0 40 GFAB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 6962008 SVUNTFVOFMNGNF-NTCAYCPXSA-N 382.441 2.925 0 40 GFAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1C 6999204 BQUWTSUTDGYLOT-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)NCCc2c[nH]c3ccccc23)cc1 7274182 UJIAYDKIAOVNRN-UHFFFAOYSA-N 392.488 2.903 0 40 GFAB COC(=O)c1sc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C(=O)OC)c1C 7307986 ABUXWNBASREKHP-LLVKDONJSA-N 397.474 2.669 0 40 GFAB CCc1nc2ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc2nc1CC 7785966 KCMNVNJPXZDEEI-UHFFFAOYSA-N 386.452 2.536 0 40 GFAB CCc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)s1 8264439 WYIUIECKPFOOTO-UHFFFAOYSA-N 390.490 2.513 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)N[C@@H](C)c4ccccn4)nc(C)n32)s1 12088755 RKPAKBGHQVENBW-LBPRGKRZSA-N 381.461 2.600 0 40 GFAB COc1ccc(CC(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)cc1OC 12145010 MYLLPUYUGYHICX-QGZVFWFLSA-N 382.464 2.832 0 40 GFAB Cn1c(N2CCC[C@H](C(=O)NCc3nc4ccccc4[nH]3)C2)nc2ccccc21 12145812 DXSPWLXDIFPLRL-HNNXBMFYSA-N 388.475 2.982 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 12158012 YAVZSTBCWLFCMR-CRAIPNDOSA-N 375.469 2.941 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N[C@@H]3CCCc4ccccc43)n2)o1 12182930 AHEAOHZAJWWLCC-QGZVFWFLSA-N 378.432 2.588 0 40 GFAB CN(C)c1cccc2c(S(=O)(=O)N3CCN(c4ccccn4)CC3)cccc12 12414059 BYXSTSFPGKNNBV-UHFFFAOYSA-N 396.516 2.812 0 40 GFAB CC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 12938901 BLMHTKQHTDGODA-ZFWWWQNUSA-N 387.457 2.961 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(Cl)s2)c(C(=O)O)cc1OC 13263158 RQAYLFSUOJPCMO-UHFFFAOYSA-N 377.827 2.918 0 40 GFAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(CCCN1CCOCC1)C3 13628876 GXJVOJUTBVRMEL-UHFFFAOYSA-N 384.476 2.546 0 40 GFAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 14184894 CZJPZIYVHCJOOL-WMLDXEAASA-N 386.521 2.980 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 14607412 ONYCNNRYPLGFAB-CZUORRHYSA-N 378.856 2.555 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 15096169 KHLQHDYZYUHGFK-CQSZACIVSA-N 384.461 2.504 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 16624307 PTBQPSWBIDYCLV-HNNXBMFYSA-N 383.448 2.930 0 40 GFAB O=C(c1ccsc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 17861434 FSDUNERGZGISDJ-UHFFFAOYSA-N 390.530 2.774 0 40 GFAB N[C@H](C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1)c1ccccc1 19369138 CJQYSBQCACENKT-IBGZPJMESA-N 398.894 2.743 0 40 GFAB CCN(CCN(C)C)C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 19526585 LOYHIKDKSINBSU-UHFFFAOYSA-N 388.537 2.670 0 40 GFAB COCc1ccc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 19588320 PXYIPCUILRAJMJ-UHFFFAOYSA-N 380.492 2.631 0 40 GFAB O=C(N1CCC[C@@H]1c1nnc2n1CCNCC2)C1(c2ccccc2F)CCCC1 19710746 AORYMSHTPGUESU-GOSISDBHSA-N 397.498 2.738 0 40 GFAB COc1ccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)cc1 19942555 LJPBBHVRRVFTPO-UHFFFAOYSA-N 375.475 2.735 0 40 GFAB Cc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 20244681 QBSOIZOVIGTPQI-UHFFFAOYSA-N 389.521 2.541 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1 20737554 ADUSAWYNWOLXNF-HNNXBMFYSA-N 392.506 2.511 0 40 GFAB COc1ccc(-c2c(C)nn3c2nnc2c(O)nc(N4CCCCC4)nc23)cc1 22607274 KORLZMJJTVVCCZ-UHFFFAOYSA-N 391.435 2.747 0 40 GFAB Cc1noc(-c2ccc(C(=O)OCC(=O)N3CCc4ccccc4C3)cc2)n1 22977689 XQEWIWKYHSELQB-UHFFFAOYSA-N 377.400 2.787 0 40 GFAB C[C@@H](OC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(=O)NC(C)(C)C 23551643 GFIVFYMPYDQDIN-CQSZACIVSA-N 380.448 2.940 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 24691193 AZXDJLQPEATUGA-UHFFFAOYSA-N 375.328 2.877 0 40 GFAB Cc1ccc(SCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C 24746726 TVIOKZPHFPNHCA-UHFFFAOYSA-N 385.445 2.747 0 40 GFAB CC(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 24988636 FFKMTMRLDKIDTG-CQSZACIVSA-N 381.325 2.629 0 40 GFAB O=C(CCn1cc(Br)cn1)N1CCN(c2ccc(F)cc2)CC1 27968844 VAUWZZSVESEZEG-UHFFFAOYSA-N 381.249 2.524 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 28207918 LREOUPYHYBETMW-UHFFFAOYSA-N 386.832 2.747 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)CC2=O)c1C 31301237 SWSWZQWMYXQZHF-DNVCBOLYSA-N 388.414 2.784 0 40 GFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccccc3C)cc(C(C)C)nc21 32078138 DTTLIFRXGOQYMJ-UHFFFAOYSA-N 394.475 2.809 0 40 GFAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 32594586 PXCIIUWMNFDGHA-VGTOOOLASA-N 378.450 2.907 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2N2CCCC2=O)C1 32901690 QFJDTSKZWIDBSU-ZDUSSCGKSA-N 378.856 2.882 0 40 GFAB COc1cccc(NC(=O)CSc2nnnn2-c2ccc(C(C)=O)cc2)c1 35311284 BIVJBGDAJJOCPO-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB CCOC(=O)CCC(=O)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596888 KVUYFOMUDDOINQ-OAHLLOKOSA-N 389.427 2.849 0 40 GFAB Cc1cc(C)n(-c2cc(NCCNC(=O)c3c[nH]c4ccccc34)nc(C)n2)n1 36705464 YVMSCQFKCFFQJV-UHFFFAOYSA-N 389.463 2.911 0 40 GFAB O=C(NCCOc1cc(N2CCCC2)ncn1)c1ccccc1C(F)(F)F 36708016 LPJLVMOQTMPPED-UHFFFAOYSA-N 380.370 2.904 0 40 GFAB Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)no1 42379167 SHRFPUXXOPLZKI-UHFFFAOYSA-N 393.425 2.957 0 40 GFAB CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1 43840701 PUXXFAASFZJKFU-CQSZACIVSA-N 377.466 2.794 0 40 GFAB C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 45113567 PORSXFITDGVRNY-HNNXBMFYSA-N 388.512 2.506 0 40 GFAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 45834101 IWHMNHKVEJBTAV-OAHLLOKOSA-N 376.478 2.931 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c(OC)c1 53455882 JORJFBFEVNAYAE-HNNXBMFYSA-N 390.386 2.651 0 40 GFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccccc1OC 57731108 ZKTQTESSNWAHSO-IBGZPJMESA-N 387.480 2.598 0 40 GFAB O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1cccc2nsnc12 57783683 IOIRWDGGQLXWEW-UHFFFAOYSA-N 385.430 2.655 0 40 GFAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2)C1 58223414 JCZSODQQLGZFEH-CQSZACIVSA-N 376.844 2.876 0 40 GFAB O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 67284355 OESQXWOFVANBAD-UHFFFAOYSA-N 383.843 2.559 0 40 GFAB COc1ccnc(COC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)c1 69435003 DDSPDZXQWTXBLU-UHFFFAOYSA-N 393.461 2.786 0 40 GFAB COc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1Cl 77100043 IGYKRYZACOWETA-UHFFFAOYSA-N 376.848 2.534 0 40 GFAB Cn1nnn(-c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)c1=O 77100083 ULJACGRHPPGEHT-UHFFFAOYSA-N 399.410 2.842 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 78901451 OCRBNQVAZBDCBU-MRXNPFEDSA-N 394.537 2.935 0 40 GFAB CCn1c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)nc2c(F)cccc21 78950558 FRIVNXVBQNDOSJ-MRXNPFEDSA-N 388.487 2.799 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C(=O)CCC(C)C)CC2)c1 79401690 UDOOFSMHWXULTB-UHFFFAOYSA-N 380.554 2.658 0 40 GFAB CC(C)(C)OC(=O)[C@H](NC(=O)CNC(=O)NC1CCCCC1)c1ccccc1 95418686 SUPSOSWTSVBSNT-GOSISDBHSA-N 389.496 2.818 0 40 GFAB Cc1ocnc1C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 95463934 UIPSCRCWWFOBIN-ZDUSSCGKSA-N 392.209 2.653 0 40 GFAB O=C(NCCCc1nnc2ccccn12)c1c[nH]c2ccc(Cl)cc2c1=O 95478074 MMMVEOLBWDFAQI-UHFFFAOYSA-N 381.823 2.587 0 40 GFAB C[C@@H](OC(=O)c1c[nH]c2ccc(F)cc12)C(=O)Nc1sccc1C(N)=O 95966989 PJSQDSFCBOXNMY-MRVPVSSYSA-N 375.381 2.651 0 40 GFAB COc1ccc(-c2nn([C@H](C)C(=O)N3CCC(C)CC3)c(=O)cc2OC)cc1 96101068 ONYDPQWPDLREEB-OAHLLOKOSA-N 385.464 2.747 0 40 GFAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 96238138 FXBIIQFRCFFTGY-IBGZPJMESA-N 391.443 2.590 0 40 GFAB COC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)cc1 100863121 XZKVHGVWRXUNMN-LDSOLPTJSA-N 380.448 2.999 0 40 GFAB CN(C)CCNc1c(NCCC(c2ccccc2)c2ccccc2)c(=O)c1=O 101698434 FRWFYEPOBXCTPX-UHFFFAOYSA-N 377.488 2.890 0 40 GFAB COc1ccccc1CNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965921 JDRGNUPZJSOFAR-UHFFFAOYSA-N 394.468 2.697 0 40 GFAB COc1ccccc1N(CCCC(=O)NCc1ccccc1)S(C)(=O)=O 113968467 WBQPWGFVZRQZPG-UHFFFAOYSA-N 376.478 2.558 0 40 GFAB CCc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 149038513 IFNIXFISDLBLLJ-UHFFFAOYSA-N 392.477 2.671 0 40 GFAB O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)c1ccc(Cl)s1 206638347 MVHPTDFSIHTQIF-UHFFFAOYSA-N 389.868 2.587 0 40 GFAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-n1cnnc1 222598488 XCFVANWDXMEBMA-VHSSKADRSA-N 379.493 2.992 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223563506 BNRSPTAKWAAAHS-CHWSQXEVSA-N 384.324 2.870 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2OC)cc1C 224645977 MAFDFMZQWJKSIM-UHFFFAOYSA-N 379.434 2.601 0 40 GFAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CCN(Cc2ccccc2)CC1 225746353 DWSPGRLCKDXMEU-UHFFFAOYSA-N 375.472 2.654 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)c(C)c1 229990853 IDBUACAGYSULOL-XSDHEKCYSA-N 377.437 2.638 0 40 GFAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCC(Oc2ccncc2)CC1 252499046 RUJDRBLMRBFRAY-UHFFFAOYSA-N 396.415 2.762 0 40 GFAB N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(Cc2ccccc2)CC1 257304533 SMCIIAKCEOYZBY-LUKWVAJMSA-N 384.495 2.988 0 40 GFAB CC(=O)NCC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(C)=O 257321293 WAZPEUZHXJGOHR-ONTIZHBOSA-N 385.508 2.646 0 40 GFAB CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260834751 ODQYVJVFBCVSBE-JXFKEZNVSA-N 386.473 2.628 0 40 GFAB O=C(c1cccnc1)N1CCO[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306127654 GECLGWLXNVYNQA-SFHVURJKSA-N 377.448 2.543 0 40 GFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1 408535735 WDZZOZLQXZAHGO-UHFFFAOYSA-N 380.441 2.838 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 408550445 CCZMJXVFUBSKLU-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O 408615665 BWKZXMFPRAKRBT-UHFFFAOYSA-N 389.477 2.792 0 40 GFAB COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(C(=O)O)ccc2OC)cc1 408619173 GIKUUMLNIITIQK-BJMVGYQFSA-N 386.429 2.928 0 40 GFAB O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)N1C[C@@H](O)C2(CC2)C1 547997197 WKUGYKIJXVOKJF-CQSZACIVSA-N 396.369 2.819 0 40 GFAB CCc1cccc2c1OCC[C@@H]2NS(=O)(=O)Cc1ccc(C(=O)O)cc1 566177536 QWELSBJFPYPLMP-KRWDZBQOSA-N 375.446 2.890 0 40 GFAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2cnc4ccccn24)C3)n1 575406153 WVZLQORLRBWFIK-QGZVFWFLSA-N 394.500 2.955 0 40 GFAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575406653 ZNKLDOINXPEDFO-FQEVSTJZSA-N 380.444 2.702 0 40 GFAB CN(C)c1ncn(-c2cccc(NC(=O)NC[C@@H]3CCN(C(C)(C)C)C3)c2)n1 585101462 UBZOHIAZEDJPCU-HNNXBMFYSA-N 385.516 2.575 0 40 GFAB COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(OC)ccc3F)C[C@H]12 585109615 FBXCBGHQAKJEAF-CNNODRBYSA-N 384.451 2.867 0 40 GFAB COc1cccc2c1CN(C(=O)[C@H]1CCCN(C(=O)NC3CCCC3)C1)CC2 653981036 VMAADVHPKFKMSU-KRWDZBQOSA-N 385.508 2.944 0 40 GFAB Cc1c(S(=O)(=O)NCC2(Cc3ccc(Br)cc3)CC2)cnn1C 657152323 QNFKPRMAAYVBRF-UHFFFAOYSA-N 398.326 2.792 0 40 GFAB Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)O)NC2)nn1-c1ccc(Cl)c(Cl)c1 657216071 VQMOCPULUSTOHO-IINYFYTJSA-N 397.262 2.879 0 40 GFAB C[C@@H]1[C@@H](NC(=O)N2CCC(c3ccon3)CC2)CC(=O)N1Cc1ccccc1 661127070 SKKKMVFRKJWWSR-BEFAXECRSA-N 382.464 2.753 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc(O)cc3)c(F)cc2N1 676849682 HUCZQXCYNIPDAX-KRWDZBQOSA-N 390.436 2.942 0 40 GFAB Cn1cc([C@H]2OCC[C@@H]2CNCc2cc(Br)c3c(c2)OCO3)cn1 1615204862 HIZBMENPQFJMFL-WBMJQRKESA-N 394.269 2.779 0 40 GFAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1889073537 WPGXYSROBFNQOK-GOSISDBHSA-N 398.850 2.622 0 40 GFAB COc1ccc(S(=O)(=O)N2CC[C@@H](COc3ccc(C)nn3)C2)cc1Cl 1889777830 XVVUMHLYQWKGKS-CYBMUJFWSA-N 397.884 2.537 0 40 GFAB CC(=O)Nc1ccc(OC(=O)CCC(=O)Oc2ccc(NC(C)=O)cc2)cc1 2061000916 BWXDHLOJHMEYCH-UHFFFAOYSA-N 384.388 2.895 0 40 GFAB O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(Br)c1 42714833 JUDDCQDQYBBCJK-ZDUSSCGKSA-N 386.271 2.625 0 40 GFAB Cc1nc(COc2cccc(C(=O)NCC(=O)NCc3ccco3)c2)cs1 24181432 FSABOMVUWBWYCZ-UHFFFAOYSA-N 385.445 2.670 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)ccc2OC)cc1 780995 KIQNEKQNRJWZHD-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(OC)cc1)C(F)(F)F 3118489 FGGOYIRCZNENIG-INIZCTEOSA-N 386.326 2.952 0 40 GFAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 3541334 WBMZUVQWGFJOMJ-UHFFFAOYSA-N 391.855 2.866 0 40 GFAB Cc1ccc(-c2cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)n[nH]2)s1 12544670 BADOYUDAZXHNGX-LJQANCHMSA-N 395.444 2.559 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Cl)cc1 6282186 VZNJJFWHQGFIAB-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 8039643 CTJQXUBVNKUDHV-INIZCTEOSA-N 396.443 2.929 0 40 GFAB CN(C(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1)C1CCCCC1 26955737 OODBLRQZXFJSPT-UHFFFAOYSA-N 378.416 2.932 0 40 GFAB Cc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)c1 27385978 RZZDGKPBXWFGDR-UHFFFAOYSA-N 393.470 2.967 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 58197702 IYAMDWNPORHECZ-IAGOWNOFSA-N 379.298 2.927 0 40 GFAB COc1cc(-c2nc3ncc(C(=O)OC(C)C)c(C)n3n2)cc(OC)c1OC 9926670 SZZDUGWSAFLAMZ-UHFFFAOYSA-N 386.408 2.691 0 40 GFAB CC[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc(OC)cc1 28099732 BCMMAUUOGPCSBX-SFHVURJKSA-N 394.479 2.617 0 40 GFAB O=C(CCNC(=O)c1ccc(Br)cc1)Nn1cnc2ccccc21 28818896 MZOUEYQPCHMSET-UHFFFAOYSA-N 387.237 2.689 0 40 GFAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(CC(F)F)CC1 60240774 YTQKPFCXYMJZCN-UHFFFAOYSA-N 384.814 2.732 0 40 GFAB CCn1c(SCC(=O)NCc2cccc(OC)c2)nc2ccsc2c1=O 46569340 FOHCVXOEJSYWIW-UHFFFAOYSA-N 389.502 2.895 0 40 GFAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12627966 PXKGTXPFBGOXSH-GOSISDBHSA-N 398.488 2.791 0 40 GFAB COc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127452 IOXZREIFDZDWTL-UHFFFAOYSA-N 381.476 2.662 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12735793 GSICHUBBRVLZKB-MRXNPFEDSA-N 395.459 2.562 0 40 GFAB CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2ccccc2F)CC1 57671185 HOTPQSWLTZAJJR-IBGZPJMESA-N 384.459 2.973 0 40 GFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 3459196 CGMIQVZNHUBXJZ-RNODOKPDSA-N 375.444 2.579 0 40 GFAB CCOc1ccccc1Nc1nnc(SCC(=O)N2CCOCC2)s1 3562662 MPHHRWJXIHTQEF-UHFFFAOYSA-N 380.495 2.631 0 40 GFAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1c(F)cccc1F 12929322 WQUPQDOFOIWLFI-UHFFFAOYSA-N 389.402 2.960 0 40 GFAB COc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F 13058007 VVIUTXZLHRLNJL-UHFFFAOYSA-N 381.354 2.622 0 40 GFAB COc1ccccc1C(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 5162389 PFNMJRORQGOZGG-INIZCTEOSA-N 377.437 2.664 0 40 GFAB COc1ccccc1OCCNC(=O)CCn1c(=O)oc2cc(Cl)ccc21 14183780 RCSGZGJDIYWWPH-UHFFFAOYSA-N 390.823 2.842 0 40 GFAB C/C=C/C=C/C(=O)OCC1=C(C(=O)OCC)[C@H](c2cccs2)NC(=O)N1 6497395 LZOWTNUVUDCCJW-OYJIIFDESA-N 376.434 2.595 0 40 GFAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 4555460 XJGAVKNMZSFJPU-GDBMZVCRSA-N 397.427 2.871 0 40 GFAB CC[C@]1(C)NC(=O)N(NC(=O)COc2ccc(Nc3ccccc3)cc2)C1=O 6589432 NIPXCJGYNWLQJY-FQEVSTJZSA-N 382.420 2.561 0 40 GFAB O=C(CSc1ncn(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 4748538 UJVPGHVYVFUVFW-UHFFFAOYSA-N 397.479 2.847 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 4862835 UBJDQTIAFFESPR-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccc(OC)c2OC)c1 7181192 PSPQHGCLHKLZGA-UHFFFAOYSA-N 387.388 2.594 0 40 GFAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 16097176 DTNOVVAIJUAYNH-UHFFFAOYSA-N 386.791 2.986 0 40 GFAB CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 8267759 UBNXBRCLSVECBE-UHFFFAOYSA-N 394.518 2.860 0 40 GFAB O=C(Cn1nnc(-c2cccs2)n1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 8342047 CJULLVJVIVPKLX-CYBMUJFWSA-N 394.416 2.966 0 40 GFAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(O)c1 8378463 USSQTNITOYWETP-UHFFFAOYSA-N 392.452 2.879 0 40 GFAB COc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc(Cl)cc1 19951467 ZCJWRSIFJUXUPR-UHFFFAOYSA-N 381.837 2.585 0 40 GFAB O=S(=O)(c1ccc(F)cc1F)N1CCCC[C@@H]1c1nnc2n1CCCC2 95454361 ZUGSCTGMSKTQHE-CQSZACIVSA-N 382.436 2.809 0 40 GFAB COc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 8855862 DMFILZYDMOEXBP-UHFFFAOYSA-N 386.473 2.683 0 40 GFAB Cn1c(=O)c2sccc2n2c(CN3CCCc4ccc(F)c(F)c43)nnc12 95455809 BCXMCRNOLFMTIC-UHFFFAOYSA-N 387.415 2.874 0 40 GFAB Cc1nc(CN2CCN(C(=O)Nc3ccccc3OC3CCCC3)CC2)n[nH]1 95467064 LODCLFLITLPXRL-UHFFFAOYSA-N 384.484 2.784 0 40 GFAB Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)n1C 9884599 DFHCPNRCAPVWMS-UHFFFAOYSA-N 394.452 2.641 0 40 GFAB COc1cccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 409246577 IXSFKBOWJZHPNE-RERGGYADSA-N 396.399 2.640 0 40 GFAB COc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1 35314509 NGKBJJBNMKMXSA-UHFFFAOYSA-N 397.504 2.886 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N(C)Cc1ccccc1F 30219854 VBKLEAJUVSGWQK-UHFFFAOYSA-N 387.455 2.753 0 40 GFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218428415 DIILFAYCTWVVDP-BQFCYCMXSA-N 379.865 2.540 0 40 GFAB Cc1oc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 38489353 GYIBDUXFEYRBRR-VXGBXAGGSA-N 396.440 2.777 0 40 GFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(OC)c1 79191134 GRRRBCDZKYFAKC-APWZRJJASA-N 382.368 2.963 0 40 GFAB biogenic C[C@H](O)c1ccc(CCNS(=O)(=O)c2ccc(-n3cccn3)cc2)s1 225689537 RGJKVCCKADFGDX-ZDUSSCGKSA-N 377.491 2.508 0 40 GFAB O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccc(O[C@@H]2CC2(F)F)cc1 529198779 KTWRLMLDXAOCFH-WVDVESEYSA-N 387.426 2.712 0 40 GFAB Cc1cc(S(=O)(=O)NCCc2ccc(F)cc2)ccc1N1CCCC1=O 224375202 XBWYWIZENUAJED-UHFFFAOYSA-N 376.453 2.782 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C 223965389 FBHAVKORQYQHDW-KRWDZBQOSA-N 384.476 2.936 0 40 GFAB Cc1ccc(Cl)cc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O 223678188 DBBUOAACGJPUFY-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44904341 JOSVRKLRRUXQSR-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222519455 FYYNNVOCSVQGMC-UHFFFAOYSA-N 396.896 2.853 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)CCc3ccccc3)ccc2NC1=O 96182220 PBSSGEFYDHDBBY-OAQYLSRUSA-N 382.416 2.911 0 40 GFAB CCc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1 244371702 XZGLDEMDJVXUDX-UHFFFAOYSA-N 389.477 2.612 0 40 GFAB Cc1nc2ccccn2c1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257229146 FWVMMEPKUFECOE-UGKGYDQZSA-N 379.460 2.616 0 40 GFAB Cc1cncc(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 257287364 PPPJSAQYZLHZFS-HXUWFJFHSA-N 389.883 2.569 0 40 GFAB CO[C@H](C(=O)N1CCOc2c(Cl)cc(Br)cc21)[C@H]1CCOC1 622873433 OBMCVWDMIBEMRZ-ZANVPECISA-N 390.661 2.879 0 40 GFAB O=C(N[C@@H]1CNCC2(CCOCC2)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 1120557610 HVHLJJDQDZCWAF-ROUUACIJSA-N 393.915 2.582 0 40 GFAB C[C@@H]1NC(c2nc(C3(c4ccncc4)CCC3)no2)=NN(c2ccccc2)C1=O 656032914 WHUHSRVOYMDMHN-AWEZNQCLSA-N 388.431 2.621 0 40 GFAB Cc1nn(-c2ccncc2)cc1CNCC1CCN(Cc2ccncc2)CC1 657612662 CFLUNZHKDWOKOT-UHFFFAOYSA-N 376.508 2.973 0 40 GFAB O=C(Cn1ccn2nc(-c3cccs3)cc2c1=O)NCc1ccccc1F 90610052 VQWVCYXPBMTRIA-UHFFFAOYSA-N 382.420 2.680 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100397 MVBLOZIWSJYGGN-QFIPXVFZSA-N 389.515 2.505 0 40 GFAB O=S(=O)(NCC[C@H]1CN(Cc2ccsc2)Cc2cccn2C1)C1CC1 585095037 AUELOPWJHKIVPX-HNNXBMFYSA-N 379.551 2.654 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2nncs2)CC1 828390891 ZJCZWWWDFUZKTH-UHFFFAOYSA-N 379.507 2.649 0 40 GFAB Cc1noc(COC2CN(C(=O)Nc3cccc(Nc4ccccc4)n3)C2)n1 952885649 JUKGCWLHFJIWSH-UHFFFAOYSA-N 380.408 2.950 0 40 GFAB Cc1c(C(=O)NCCN(C)C)c(C(F)(F)F)nn1C1CCN(C(C)C)CC1 49362720 YFNHKHSUTFINQY-UHFFFAOYSA-N 389.466 2.547 0 40 GFAB Cn1cc(C(=O)O)c(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 78699064 CCNAREPHUUMPCF-UHFFFAOYSA-N 375.381 2.725 0 40 GFAB O=S(=O)(N[C@@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1 40979644 PSXOKXJMVRSARX-BYPYZUCNSA-N 391.742 2.782 0 40 GFAB in-vitro CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(Cl)cc2)Oc2ccccc21 13679963 ASLXZELEHHQEON-QGZVFWFLSA-N 394.880 2.574 0 40 GFAB CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)CCO3)CC1 19021063 BTPICNHHCPTRKN-NRFANRHFSA-N 380.488 2.782 0 40 GFAB Cc1ccc(C2(CNS(=O)(=O)c3cn(C(F)F)nc3C)CCOCC2)cc1 19208766 GRIFNPLESYJPKS-UHFFFAOYSA-N 399.463 2.922 0 40 GFAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccc(C)c(C)c3)C2)c2nccnc21 19213924 LRNALZJKJIVDSZ-LJQANCHMSA-N 392.507 2.569 0 40 GFAB Cc1cc(C)n(Cc2c(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)noc2C)n1 19574301 SCCFGSSCJPJWEI-UHFFFAOYSA-N 396.495 3.000 0 40 GFAB COc1cc(C(=O)NCCc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O 11515369 ZKZCOORVISPKEZ-UHFFFAOYSA-N 397.258 2.839 0 40 GFAB Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3ccncc3)C(=O)C2)CC1 1565541825 SNCDESHBPREBSU-UHFFFAOYSA-N 382.464 2.731 0 40 GFAB O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cccs1 4519379 PMCIQWKCNJXAQE-HNNXBMFYSA-N 397.499 2.835 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(CC)n2-n2cccc2)cc1 4518514 UWGWVEQXJDSPJY-UHFFFAOYSA-N 399.476 2.861 0 40 GFAB COc1ccc([C@H]2OC(=O)N(C)[C@@]2(O)c2ccc(OC)c(OC)c2)cc1OC 6668005 QRMJRTVWIFQSMM-UYAOXDASSA-N 389.404 2.689 0 40 GFAB COc1ccc([C@@H]2OC(=O)N(C)[C@]2(O)c2ccc(OC)c(OC)c2)cc1OC 6668008 QRMJRTVWIFQSMM-ICSRJNTNSA-N 389.404 2.689 0 40 GFAB Cc1ccccc1CN1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771623 NDYMIVYRDBJCIL-GOSISDBHSA-N 380.414 2.861 0 40 GFAB COc1cccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2C[C@@H]2CCCO2)c1 101113832 ZVFSPHSCISGGJA-UAFKWENTSA-N 394.431 2.650 0 40 GFAB COCC(=O)N1CCCc2ccc(NC(=O)c3ccc4nsnc4c3)cc21 38677744 JDRAWPUDRQMAIL-UHFFFAOYSA-N 382.445 2.869 0 40 GFAB O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743300 JHJAOLBFSDNYDN-UHFFFAOYSA-N 393.466 2.639 0 40 GFAB Cn1c(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 96191892 DWENHZHWYZFJMX-UHFFFAOYSA-N 378.215 2.646 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(C(=O)Nc3ccc(F)c(F)c3)C[C@H]2C[C@@H]1O 2332242600 CGDDQPMQOQTMCB-GGNLRSJOSA-N 376.407 2.946 0 40 GFAB Cc1cc(C)n2nc(SC[C@H]3CSc4nnc(-c5cccnc5)n43)nc2n1 30532511 CSIHSJHFGHCYNF-ZDUSSCGKSA-N 396.505 2.834 0 40 GFAB O=C(CCc1nc(-c2cccs2)no1)NCCOc1ccc2c(c1)OCO2 40121772 LAECNIGYSUGBMW-UHFFFAOYSA-N 387.417 2.655 0 40 GFAB Cc1nccn1-c1ncccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 40146193 WMKXIUMJPSQSNS-UHFFFAOYSA-N 397.822 2.593 0 40 GFAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]12 100623635 MNXBSYVVUROKIR-DHXZDTOLSA-N 377.400 2.937 0 40 GFAB Cc1ccc(C(=O)n2cc(CCN3CCS(=O)(=O)CC3)c3ccccc32)cc1 20386373 WJJYZBSKALGIHP-UHFFFAOYSA-N 396.512 2.911 0 40 GFAB COc1cccc(/C=C(/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 32149024 AXYNPJXGHHNEMT-SQVRNEIYSA-N 385.485 2.881 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)NCCc3cn4ccccc4n3)CC2=O)c1 23319177 CMPCTVFSPJJXQJ-OAHLLOKOSA-N 394.500 2.768 0 40 GFAB COc1ccc(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[nH]2)c(OC)c1 931766 GOVQXEUYYAESFH-MRXNPFEDSA-N 381.436 2.799 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 2260852 FFKGBQQEEGVRND-UHFFFAOYSA-N 398.415 2.627 0 40 GFAB O=C(CN1CCSCC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 2309635 RFHFSKRDFUUVJH-UHFFFAOYSA-N 394.338 2.864 0 40 GFAB CCN1C(=O)C[C@H](c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21 4166288 QXAIZUXJGPSUBJ-GOSISDBHSA-N 375.446 2.975 0 40 GFAB CC(C)(C)c1nn2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2nc1O 4251440 VHPFWGUFFRSLFI-UHFFFAOYSA-N 392.872 2.907 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 4514241 AFDFRWGUEGUURO-IBGZPJMESA-N 391.349 2.900 0 40 GFAB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c1 5197942 ZWTYSTCENPITQN-IBGZPJMESA-N 397.431 2.979 0 40 GFAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCCCn3ccnc3)c(C)c2oc1=O 5207000 XHXOHXAWTKIEGD-INIZCTEOSA-N 383.448 2.889 0 40 GFAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCCCc1ccccc1 5352779 OQTJPFWPVFXKAG-FQEVSTJZSA-N 391.471 2.515 0 40 GFAB Cc1cc(CNC(=O)CSc2nc3ccccc3c(=O)n2C)cc(C)c1O 6602365 YPQVVJWZTNUTQJ-UHFFFAOYSA-N 383.473 2.664 0 40 GFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)NC1CCCC1 6679394 RZIDHEPXKFMOLU-UHFFFAOYSA-N 397.500 2.526 0 40 GFAB O=C(OCc1cc(=O)n2ccsc2n1)c1cc(Cl)c2c(c1)OCCCO2 7556560 BTUSGABQFSLMJG-UHFFFAOYSA-N 392.820 2.928 0 40 GFAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)N(C)C)c1ccccc1 7584638 HQDPJMSBPPELOF-QGZVFWFLSA-N 383.477 2.901 0 40 GFAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C 7831235 AKGLMQCVLKMGNA-UHFFFAOYSA-N 376.460 2.878 0 40 GFAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1Cl 8287989 HALRHKGCZDIBCO-UHFFFAOYSA-N 377.853 2.716 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cncn1-c1ccccc1 8341936 LZYFXEPZQHWJQP-UHFFFAOYSA-N 396.472 2.909 0 40 GFAB O=C(NCCc1cccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8344993 QFHZWQHFEVDUMO-UHFFFAOYSA-N 390.486 2.792 0 40 GFAB COc1ccc(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(OC)c1 9905187 LEEFWWWAQPPGLM-UHFFFAOYSA-N 383.448 2.584 0 40 GFAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10140453 QVIIDRJLBXODHV-ZETCQYMHSA-N 388.733 2.915 0 40 GFAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1cccc(Cl)c1Cl 11927671 LAUNZZPMZYULSQ-UHFFFAOYSA-N 397.262 2.609 0 40 GFAB Cc1nc(C)n([C@@H](C)CC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n1 12121809 URQNFDHIRNMXIB-HNNXBMFYSA-N 384.480 2.816 0 40 GFAB Cc1cccc(-c2nnc(SCc3ccc(C(N)=O)cc3)n2CC(=O)O)c1 12779051 HTQXJNWQARIZKN-UHFFFAOYSA-N 382.445 2.729 0 40 GFAB Cc1ccccc1[C@@H](C)NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 12986531 WVFYEZSQOPACFA-LLVKDONJSA-N 391.353 2.774 0 40 GFAB COc1ccc(CCC(=O)N2CC[C@H](c3cc4nc(C)cc(O)n4n3)C2)cc1 13225626 URUQNSHTIMXIEE-INIZCTEOSA-N 380.448 2.701 0 40 GFAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)on1 13596994 IFUPLLYRTCTFBI-SNVBAGLBSA-N 389.886 2.737 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 13677413 OEXUUFCWOVFTHF-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1 14241890 HTKIGYTVFHQDJV-MRXNPFEDSA-N 376.503 2.952 0 40 GFAB CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842712 CVHMFUDFMKVSKY-OAHLLOKOSA-N 386.473 2.661 0 40 GFAB C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1cc(Cl)ccc1CC21C(=O)N(C)C(=O)N(C)C1=O 16957451 VELZWUNEVHWCSX-HSMVNMDESA-N 389.883 2.784 0 40 GFAB NC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19331255 VJGJEBAYQAPHSF-OFNKIYASSA-N 396.462 2.918 0 40 GFAB O=C(Cc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19348037 UNQGZYBLYRKTST-MRXNPFEDSA-N 378.407 2.530 0 40 GFAB CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2Cc2cccnc2)cc1 19573479 QVTCOIFLFWALPE-FXAWDEMLSA-N 394.500 2.933 0 40 GFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cn3cccn3)cc2N1 19574763 KKKDGNPKLUJMRG-KWCYVHTRSA-N 382.390 2.751 0 40 GFAB O=C(c1cn[nH]c1-c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22287014 OSHOMTOVCOIGQM-UHFFFAOYSA-N 390.443 2.763 0 40 GFAB CCOC(=O)C1CCN([C@@H](c2ccco2)c2sc3nc(C)nn3c2O)CC1 23158068 JDFWIFGKKQADOX-AWEZNQCLSA-N 390.465 2.762 0 40 GFAB COc1ccc(CCS(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1 23238663 YAZNRJBOEHMIAG-UHFFFAOYSA-N 395.546 2.967 0 40 GFAB CCc1ccc([C@@H](NCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 24747465 DRMFFKOGFRYAJI-IRLDBZIGSA-N 395.503 2.815 0 40 GFAB COC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 31764463 YYEAASLDWMNPSC-JTQLQIEISA-N 393.852 2.504 0 40 GFAB COC(=O)C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C)cc1 32821077 BVGBKJVIGUYHBW-SFHVURJKSA-N 389.473 2.574 0 40 GFAB CSc1nc(C)c(CCC(=O)N2CCC(c3ccc(O)cc3)CC2)c(=O)[nH]1 32893012 IAZRQEJFHSNZKS-UHFFFAOYSA-N 387.505 2.845 0 40 GFAB Cc1nc(N)n2c(SCC(=O)NC3CCCC3)nnc2c1Cc1ccccc1 35315505 XDKGCAIUUAOLCH-UHFFFAOYSA-N 396.520 2.757 0 40 GFAB CCNc1nc2c(s1)[C@@H](c1cc3c(c(OC)c1OC)OCO3)CC(=O)N2 35324913 NEAGTUNJGPRHGH-SECBINFHSA-N 377.422 2.795 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C 36614626 VAJBWFAPEKVGIT-UHFFFAOYSA-N 396.944 2.993 0 40 GFAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(Cn2ccnc2)cc1 38679644 WLNRMAOQEATURK-SJORKVTESA-N 398.488 2.668 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 38754572 RNYNSWDTEPUONW-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 39985212 LOOGOLLCMWZDSU-HNNXBMFYSA-N 376.478 2.583 0 40 GFAB CCOCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 40128876 NHSQDWKLAUQJLC-UHFFFAOYSA-N 384.498 2.625 0 40 GFAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 40154977 ZIXJCUQNTGWACW-UHFFFAOYSA-N 397.460 2.992 0 40 GFAB O=C(NC1CC1)C1CCN(c2ncnc3ccc(Br)cc23)CC1 41498829 KRBDLBNDQICOSF-UHFFFAOYSA-N 375.270 2.887 0 40 GFAB COc1cccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)OCCO4)n2)c1 44892718 JLYAFGRXBUJLEA-UHFFFAOYSA-N 378.384 2.573 0 40 GFAB COC(=O)c1cc(NCC(=O)NCCc2ccc(OC)cc2)c(F)cc1F 45734416 QXELPILBWADFSG-UHFFFAOYSA-N 378.375 2.531 0 40 GFAB C[C@H](NC(=O)CNC(=O)C1CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 48355444 QMEHDSYMUPJYNV-AWEZNQCLSA-N 397.450 2.710 0 40 GFAB CCCS(=O)(=O)NC1CCN(Cc2ccc(F)c(Br)c2)CC1 54174804 IAPHQNWKIICVLK-UHFFFAOYSA-N 393.322 2.882 0 40 GFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)c1ccc(F)c(F)c1 56226601 NIIACEQIUQSMSW-UHFFFAOYSA-N 380.416 2.991 0 40 GFAB CC(=O)N1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 57427794 FKZQELCMSXRLTA-UHFFFAOYSA-N 392.459 2.980 0 40 GFAB CCCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 57477541 JDBCEELYCHUDNU-QGZVFWFLSA-N 393.487 2.711 0 40 GFAB O=C(NCc1cccc(N2CCOC2=O)c1)N1CCO[C@@H](c2ccccc2)C1 57871017 HFLJNGFFWXBFSA-LJQANCHMSA-N 381.432 2.926 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 71284143 XVTMSMRVPPENED-UHFFFAOYSA-N 377.444 2.510 0 40 GFAB C[C@H](C(=O)NC1CCCCC1)N1CCn2c(CCc3ccccc3)nnc2C1 72308574 JBIAOUJRMZWZRP-QGZVFWFLSA-N 381.524 2.716 0 40 GFAB O=C(COC(=O)COc1ccccc1)NCc1ccccc1Br 72331091 RINLUAGKKGNSDY-UHFFFAOYSA-N 378.222 2.688 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4CNC[C@@H]4c4ccccc43)ccc12 96157022 RYCBEPISICHVOH-BEFAXECRSA-N 390.439 2.830 0 40 GFAB COc1cccc(-c2nc3c(s2)N(C(C)C)[C@H](C(=O)NCCN(C)C)C3)c1 96264493 MQPZZFFLOOXGST-KRWDZBQOSA-N 388.537 2.636 0 40 GFAB O=C([C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCc2ccccc2C1 96345406 KEURZAHYODCNEZ-OAHLLOKOSA-N 378.407 2.640 0 40 GFAB CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc(CN2CCOCC2)cn1 97022253 KHSDFFNQPMKXTL-UHFFFAOYSA-N 394.475 2.539 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 100307629 WGFHSIVDHDSQFC-IUYSZMJMSA-N 377.227 2.691 0 40 GFAB Cc1cc(S(=O)(=O)NCCN(C)c2ccccc2)ccc1N1CCCC1=O 219223337 OCOCRRGLNIGTLJ-UHFFFAOYSA-N 387.505 2.537 0 40 GFAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223118736 BBMQSKITFOATHD-FQEVSTJZSA-N 388.895 2.798 0 40 GFAB COc1ccc(Cl)cc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223131557 WJVUMKJYLVYMTL-MRXNPFEDSA-N 382.869 2.920 0 40 GFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1nccs1 223566265 IDRISAMKCZZPMF-IRXDYDNUSA-N 399.545 2.910 0 40 GFAB COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224069458 WYYISHJZOVNYJM-UHFFFAOYSA-N 398.868 2.526 0 40 GFAB CCCCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224189889 GXIMPMIIFVFNBN-UHFFFAOYSA-N 378.498 2.508 0 40 GFAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1N(C)S(=O)(=O)c1ccccc1 224291400 RAJPPRBYTMJAQK-QGZVFWFLSA-N 388.489 2.729 0 40 GFAB COCCNC(=S)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225899866 NOHNHBMMDPIRFV-UHFFFAOYSA-N 377.901 2.626 0 40 GFAB COc1cccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 244181157 VJEZLLCFQRRHSB-UHFFFAOYSA-N 392.477 2.887 0 40 GFAB COc1ccc(CCC(=O)N[C@H](Cn2nccn2)c2ccccc2)c(OC)c1 253401476 MZWYDCCVAVMZOU-LJQANCHMSA-N 380.448 2.786 0 40 GFAB Cc1cc(O)nc(N2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)n1 253537714 OPNCPFVSCWHRFE-UHFFFAOYSA-N 385.449 2.606 0 40 GFAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)[C@@H]1c1ccccc1 257230349 GBWZMADWSIZTJB-KNQAVFIVSA-N 392.503 2.730 0 40 GFAB O=C(CCc1nc2ccc(Cl)cc2[nH]1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257242679 IDRORNOBGZLQSE-IRXDYDNUSA-N 387.871 2.570 0 40 GFAB Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)c3ccnnc3)C2)ccc1CO 257286041 PJYYDGKAALAFEZ-INIZCTEOSA-N 393.447 2.656 0 40 GFAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 257289317 PYCVMCURXXSLLJ-IBGZPJMESA-N 381.411 2.538 0 40 GFAB Cc1ccc(CNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 408592777 OPRWXUQXTJDBBY-INIZCTEOSA-N 390.505 2.765 0 40 GFAB COC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 408615689 CEQGSNIYHOJYHT-KRWDZBQOSA-N 390.505 2.650 0 40 GFAB CN(Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O 408702388 FGPXAODWJMHMJN-UHFFFAOYSA-N 382.869 2.749 0 40 GFAB CCS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc2c(c1)OCO2 408705492 GZMMPBYYGAKPTG-UHFFFAOYSA-N 396.509 2.801 0 40 GFAB CCc1nnc(SCC(=O)Nc2ccc(Cl)c(Br)c2)n1N 409004423 BARHVKNXTRMALL-UHFFFAOYSA-N 390.694 2.701 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c[nH]c3ccccc23)C1=O 409220578 BSTAJQHWWUOCNK-LICLKQGHSA-N 390.399 2.708 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](c4ccn(C)n4)C3)CC2=O)cc1C 575615285 CEBNYFMIPIOGQP-QZTJIDSGSA-N 380.492 2.796 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@H](OCCO)c2cccs2)cc1Cl 575621677 QUBMREYMCVYUFU-AWEZNQCLSA-N 382.869 2.515 0 40 GFAB O=C1NCCOCCOc2ccc(C(=O)NCC3CC3)cc2Cc2cccc1c2 643573110 QARGITOWTSWGKP-UHFFFAOYSA-N 394.471 2.556 0 40 GFAB C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 661135191 CJGDYJKXCCVSMQ-YRISNDGFSA-N 393.487 2.694 0 40 GFAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ncccc2F)CC1 666160068 GRFJYTHGHMFSMH-UHFFFAOYSA-N 381.329 2.838 0 40 GFAB O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCNCCC12CCOCC2 1120556015 JZTAGIGCGBCDJU-UHFFFAOYSA-N 389.496 2.858 0 40 GFAB CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595048 SDDSSVOTOAFLGO-HUYLIWGRSA-N 393.503 2.787 0 40 GFAB Cc1nc(N2CCCC2)cc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)n1 1889099071 JDHCKIHYXJOQTA-UHFFFAOYSA-N 381.528 2.799 0 40 GFAB O=C1COC[C@]2(CN(Cc3c(F)cccc3F)CCO2)CN1c1ccccc1 2037983815 HFRKKKNRYXTCQP-NRFANRHFSA-N 388.414 2.599 0 40 GFAB COc1ccc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)cc1OC(C)C 2037983829 HWDSYNGMRHPNGD-JOCHJYFZSA-N 390.524 2.942 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 741521 DJVBHIMTCYHQQV-QGZVFWFLSA-N 378.450 2.608 0 40 GFAB CC(C)OC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc2c1CCCC2 923995 GBVQPTDQWDGZDZ-UHFFFAOYSA-N 385.449 2.882 0 40 GFAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 1311605 RPPJLZWBZCIWHB-UHFFFAOYSA-N 390.553 2.850 0 40 GFAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCC(=O)O)ccc12 2145991 LUESWCNVQRWLSN-UHFFFAOYSA-N 395.411 2.662 0 40 GFAB biogenic COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 2656801 HVTMXGXFEFMTDI-QGZVFWFLSA-N 391.807 2.979 0 40 GFAB COc1cc(CC(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC 3216286 BGQAEPDCFJSTCT-UHFFFAOYSA-N 395.358 2.715 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 3462864 ZJIRYVWOZAYIBK-GOSISDBHSA-N 375.787 2.885 0 40 GFAB NC(=O)NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3572697 AZTFRELEDXSEQP-UHFFFAOYSA-N 389.820 2.968 0 40 GFAB COC(=O)c1ccc(C(=O)NC(=S)Nc2nc3c(s2)CCCC3)cc1 4134997 URPNFSFXAOXXPP-UHFFFAOYSA-N 375.475 2.935 0 40 GFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 4303281 WJCKXLQKEGKLKG-UHFFFAOYSA-N 392.908 2.853 0 40 GFAB CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl 4936999 YTXHYZPDLCEKGZ-UHFFFAOYSA-N 391.276 2.913 0 40 GFAB CC[C@H](C)NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 4983095 MGEIFVWGYWLJQM-HNNXBMFYSA-N 376.478 2.805 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NC4CCCC4)CC3)CC2=O)cc1 4998855 YJALFODNTZYUMJ-SFHVURJKSA-N 397.519 2.645 0 40 GFAB O=C(COC(=O)COc1ccc2c(c1)CCC2)NC(=O)Nc1ccccc1F 5229963 IOBWYZNBINWVIC-UHFFFAOYSA-N 386.379 2.585 0 40 GFAB COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1OC(F)F 5263099 NENQIMIQDHCRMY-UHFFFAOYSA-N 389.358 2.805 0 40 GFAB COc1ccccc1CCN1C(=O)[C@](O)(C(F)(F)F)N=C1c1ccccc1 5269918 QKIWBFHQXODSCO-SFHVURJKSA-N 378.350 2.778 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(C)cc(C)c1 6426418 FAHPSMSLNAHYMV-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N(C)C)cc2)C1=O 6945409 ZCLKZCOSRYIVGZ-CPNJWEJPSA-N 392.459 2.846 0 40 GFAB COc1ccccc1-c1noc(COC(=O)c2ccc(S(C)(=O)=O)cc2)n1 7090181 OYBMSMYXDJWRIE-UHFFFAOYSA-N 388.401 2.506 0 40 GFAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc2c(c1)CCC2 7215609 TTZHSKZNAFGXOE-UHFFFAOYSA-N 378.519 2.564 0 40 GFAB CCOC(=O)COc1ccccc1/C=C(\Sc1nnc(CC)[nH]1)C(=O)O 7342550 XCLVDWBDLHCHGF-LCYFTJDESA-N 377.422 2.527 0 40 GFAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 7361328 CXPLMCRWIHNLMT-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB Cc1cc(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c(C)n1C 7509516 YNFPNXNKESYCHC-INIZCTEOSA-N 391.855 2.821 0 40 GFAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C2SCCS2)cc1 7736234 AHYPFVDAUNUCQG-NSHDSACASA-N 382.507 2.945 0 40 GFAB O=C(c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)N1CCOCC1 7989079 MIRUAKPORIVQLL-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 8267106 LQOQBDVYDAQZGQ-PEBXRYMYSA-N 395.434 2.961 0 40 GFAB COc1cc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc(OC)c1OC 8361772 JCJBMQFIPGWEMR-UHFFFAOYSA-N 398.459 2.698 0 40 GFAB O=C(CCn1nc(-c2cccs2)oc1=O)OCc1nc(-c2ccccc2)no1 8543677 OSCZEVODSLRGSO-UHFFFAOYSA-N 398.400 2.748 0 40 GFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2cccs2)cs1 9460006 WSWNGNBAZXYXPP-UHFFFAOYSA-N 387.442 2.969 0 40 GFAB O=C(COc1ccc2ccccc2c1)NCc1nnnn1-c1ccc(F)cc1 9571035 FRQFQGKHUDIILC-UHFFFAOYSA-N 377.379 2.650 0 40 GFAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(F)cc3)c2=O)cc1 9825418 OVPQFFOTZGROML-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NC3CCCC3)cs2)cc1 9828562 NDDBBTHPBKXMQS-UHFFFAOYSA-N 379.507 2.854 0 40 GFAB CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(C(=O)OC)Nc3nnnn32)cc1 10232418 MOXPKVUKIQRVCZ-INIZCTEOSA-N 395.444 2.622 0 40 GFAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 11190084 OBFBVQNSNBHOBS-UHFFFAOYSA-N 387.823 2.583 0 40 GFAB COc1ccc(OC)c(NC(=O)CCCn2nc(-c3ccco3)ccc2=O)c1 11695825 WITIFXKNAONPMC-UHFFFAOYSA-N 383.404 2.939 0 40 GFAB COCc1ccc(C(=O)N2CCC3(CC2)CN(C(C)=O)c2ccccc2N3)o1 12086154 MHGFXPFBJOAKPW-UHFFFAOYSA-N 383.448 2.879 0 40 GFAB COCCn1c(C)cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1C 12122085 GIYROZHBZQGUQA-UHFFFAOYSA-N 393.491 2.867 0 40 GFAB O=C1NC2(CCN(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 12145791 LQVWFXMHUDNVNB-MJGOQNOKSA-N 397.519 2.782 0 40 GFAB COc1cccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)c1 12324307 AYDOZIKXILJEKM-UHFFFAOYSA-N 379.391 2.843 0 40 GFAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)N1CCN(c2ccccc2)CC1 12515390 BWXJSIDCMBRAFJ-HOTGVXAUSA-N 394.475 2.555 0 40 GFAB Cc1ccc(-c2cc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n[nH]2)s1 12544669 BADOYUDAZXHNGX-IBGZPJMESA-N 395.444 2.559 0 40 GFAB COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(Cl)cc1C(=O)O 13341241 WCCGVCBTLBILEX-UHFFFAOYSA-N 398.824 2.806 0 40 GFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 13427363 NDHGKNCDUVZCCV-SFHVURJKSA-N 382.416 2.768 0 40 GFAB CC(C)c1ccc(N(CC(=O)NCCCN2CCCCC2)S(C)(=O)=O)cc1 13674613 CEIGHLNJHFTOCL-UHFFFAOYSA-N 395.569 2.568 0 40 GFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccccc1Cl 13676446 XEADHXADQXFPLO-UHFFFAOYSA-N 380.897 2.855 0 40 GFAB COc1ccc(NC(=O)NCCCn2nc(-c3ccco3)ccc2=O)c(OC)c1 13802563 INALQAZXDOWOJY-UHFFFAOYSA-N 398.419 2.732 0 40 GFAB Cn1c(SCCOc2ccc(Cl)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 14199056 YZCDLTWZACLXMS-LLVKDONJSA-N 387.914 2.542 0 40 GFAB CCCOc1ccc(OCCSc2n[nH]c(=O)n2C[C@H]2CCCO2)cc1 14247183 DZQISUWMRIYMDP-MRXNPFEDSA-N 379.482 2.710 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OC 14291946 OFPPHZVRVHILQS-UHFFFAOYSA-N 392.477 2.953 0 40 GFAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)n1 19285854 DWXXJOVZWMPEIR-WBMJQRKESA-N 386.525 2.955 0 40 GFAB Cc1ncncc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 19712805 KNTHZBBKELYKOU-NSHGMRRFSA-N 382.439 2.591 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 20021232 RCVRNSVLQASPPN-UHFFFAOYSA-N 394.468 2.551 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 20106709 TVHHYKHIHPKYOG-HNNXBMFYSA-N 376.478 2.729 0 40 GFAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2C)C(=O)N3)cc1 20725540 VPAQTRHETKRYKU-INIZCTEOSA-N 377.404 2.784 0 40 GFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ncn3n2)cc1 21024563 IOKUGKUMNVCJJI-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCc2nc(-c3cccs3)no2)on1 21913877 WKYKBFKZUNAHTP-SNVBAGLBSA-N 376.394 2.598 0 40 GFAB CC(=O)c1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 23732778 RUZDNEFKSJLHGW-SFHVURJKSA-N 388.489 2.519 0 40 GFAB CN(C(=O)Cn1nnn(-c2ccccc2)c1=O)C(c1ccccc1)c1ccccc1 24748744 JSYFFNFTKUUPKH-UHFFFAOYSA-N 399.454 2.677 0 40 GFAB O=C(Cn1ncc2ccccc2c1=O)/N=c1\sccn1Cc1ccccc1F 24834557 QDBUIMPQOKMHDN-ATJXCDBQSA-N 394.431 2.574 0 40 GFAB COc1ccccc1CSc1nnc(Nc2cc(C)ccc2OC)c(=O)n1N 28536415 BPHANPFAONMYKO-UHFFFAOYSA-N 399.476 2.714 0 40 GFAB COC(=O)/C=C/c1cc(OC)c2c(c1)[C@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 28862506 DPDJZJNYBSGDHT-NLYDTBBBSA-N 386.400 2.805 0 40 GFAB biogenic,in-vitro Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(F)c(F)c1)CC(=O)N2 31807866 KJSDRSPYIPZSST-SNVBAGLBSA-N 381.346 2.599 0 40 GFAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)nn12 32091113 BELGBESGJBPCHP-OAHLLOKOSA-N 384.871 2.619 0 40 GFAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(Cc2c(F)cccc2Cl)CC1 32679556 ATYGCUGEUJYRJW-UHFFFAOYSA-N 397.922 2.861 0 40 GFAB COc1cc(OC)c(C2=CCN(c3cc(C)nc4ncnn34)CC2)c(OC)c1 32860091 KUEBFVGDIRKKTF-UHFFFAOYSA-N 381.436 2.752 0 40 GFAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1=Cc2cc(Cl)ccc2OC1 40122701 WNWWAMNXKZDABS-UHFFFAOYSA-N 376.762 2.595 0 40 GFAB CC(C)OC(=O)CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 48536303 SZPXGQUUEVUSNA-KBPBESRZSA-N 381.448 2.903 0 40 GFAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3cccc(F)c3)c(O)c12 49008058 HXGFTSGSMSUSAB-UHFFFAOYSA-N 389.408 2.697 0 40 GFAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(C)no3)cs2)CC1 49545502 XIKHSMSDBHMRFA-UHFFFAOYSA-N 384.479 2.675 0 40 GFAB Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1N 51319295 MIVWARSWANHOIY-UHFFFAOYSA-N 375.404 2.976 0 40 GFAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 55701150 NCCNEHFNZLCMKJ-MRXNPFEDSA-N 396.553 2.583 0 40 GFAB COc1cc(/C=C2\CC(=O)N(c3ccc(OC(C)=O)cc3)C2=O)cc(OC)c1O 70666371 KOXYHBNITZAOAZ-RIYZIHGNSA-N 397.383 2.682 0 40 GFAB biogenic Cc1nc(-c2cccc(NC(=O)C3CN(C(=O)c4cnccn4)C3)c2)cs1 70809103 STCZJLKBMVYXNU-UHFFFAOYSA-N 379.445 2.619 0 40 GFAB COCCn1ccc2c(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cccc21 71287881 GAPMSPRUHJGCBU-UHFFFAOYSA-N 376.416 2.705 0 40 GFAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 71327835 UWLDFQDAHCEULB-UHFFFAOYSA-N 393.443 2.904 0 40 GFAB Cc1nn(C)cc1CN(C)Cc1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 72370991 IPIIXIZUOQKYMZ-UHFFFAOYSA-N 384.528 2.784 0 40 GFAB COc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)CNC(C)=O)n2)cc1 72384135 ZRGKYVKLQMHHAF-SFHVURJKSA-N 398.463 2.776 0 40 GFAB O=c1[nH]c(N[C@H]2CCN(Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1 84535912 DKCUTMSTLORCMV-KRWDZBQOSA-N 386.459 2.795 0 40 GFAB Cn1cccc(C(=O)OC2CN(c3nc4c(Cl)cccc4s3)C2)c1=O 90608021 AJMUZINMOWAHLK-UHFFFAOYSA-N 375.837 2.694 0 40 GFAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CSC[C@@H]1C(=O)NCC1CC1 95393379 RQCDZJJDBBWIKA-VQIMIIECSA-N 388.533 2.933 0 40 GFAB O=S(=O)(c1ccc(F)cc1F)N1CCCC[C@H]1c1nnc2n1CCCC2 95454362 ZUGSCTGMSKTQHE-AWEZNQCLSA-N 382.436 2.809 0 40 GFAB O=C(O)CCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 95469932 QTZGZEQCSORUIG-UHFFFAOYSA-N 380.510 2.515 0 40 GFAB Cc1cc(C(=O)NCCCCCc2nnc3ccccn23)c2c(C)nn(C)c2n1 95478399 HVZVGUNCIXTTHJ-UHFFFAOYSA-N 391.479 2.771 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3cccc(Cl)c3)[C@@H]2C1 96090604 AKWXQHJNYDUQSE-PKOBYXMFSA-N 376.909 2.986 0 40 GFAB O=C(N1CC(S(=O)(=O)Cc2ccco2)C1)C1(c2cccs2)CCCC1 96122068 KMOJHOCBGDZBBJ-UHFFFAOYSA-N 379.503 2.979 0 40 GFAB Cc1noc(C)c1CN1CC[C@@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 96225717 GZOAZYFVOXEUOU-IVZQSRNASA-N 396.491 2.932 0 40 GFAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 96365867 XXOORJGVIFJICL-KRWDZBQOSA-N 399.921 2.718 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 101387107 WVJALADLVGMNOZ-SJORKVTESA-N 397.822 2.580 0 40 GFAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 108687295 GIMVPTKWUBFWHI-IBGZPJMESA-N 375.488 2.651 0 40 GFAB C[C@@H](C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)c1ccccc1F 108991020 IDMLNQCHURQBAW-CQSZACIVSA-N 380.423 2.790 0 40 GFAB CN(C)c1nccc(N2CCN(Cc3ccccc3Br)CC2)n1 134112014 GDOMENYOVXIFMW-UHFFFAOYSA-N 376.302 2.627 0 40 GFAB C[C@H](C(=O)NCCOc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 223703780 INRGOPXBLFYWSP-CQSZACIVSA-N 396.896 2.690 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)cc1OC 223727488 LIYPNBSWBQAFSU-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)COc2ccccc2C)ccc1C 224382893 LCZHDMQAQMYDDD-HNNXBMFYSA-N 377.462 2.836 0 40 GFAB CC(C)(C)NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225894819 TXUQVAAXQSBXPC-UHFFFAOYSA-N 392.573 2.779 0 40 GFAB Cc1cc(OC2CCN(C(=O)CSCc3ccccc3)CC2)cc(=O)n1C 252516188 QLXLVPXVALONCG-UHFFFAOYSA-N 386.517 2.997 0 40 GFAB Cc1nonc1COc1ccccc1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 257216214 CTORGAUCDYFWGI-MRXNPFEDSA-N 393.447 2.751 0 40 GFAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 260846271 JWIDMDISEGELBI-MRXNPFEDSA-N 392.496 2.956 0 40 GFAB O=C(/C=C/c1ccccc1F)N1CCC(n2nnc3ccsc3c2=O)CC1 390829267 DFRBTNIXMVISTD-AATRIKPKSA-N 384.436 2.869 0 40 GFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1ccc(Cl)cc1 408626743 WJNAIPZFGVQHCL-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB COc1cccc(CNC(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 518352324 LJOPNKWNNMTGHL-UHFFFAOYSA-N 396.491 2.774 0 40 GFAB O=C(CCc1cccnc1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 527313167 FGRNTWXKJUFYHI-UHFFFAOYSA-N 385.415 2.623 0 40 GFAB O=C(Nc1cccc2cc(Br)cnc12)N[C@@H]1CCCS(=O)(=O)C1 558459055 NJAKTKVHBHZUPP-GFCCVEGCSA-N 398.282 2.696 0 40 GFAB Cc1cccc(N2C[C@@H](C(=O)N3CCOc4cc(O)ccc4C3)CC2=O)c1C 572007552 WKGWFBCIPACTIH-KRWDZBQOSA-N 380.444 2.783 0 40 GFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc2ccc(O)nc12 584017432 RGWXBVYTOJKKJT-IBGZPJMESA-N 391.471 2.961 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 585106764 HUGZGEDTWKMSPB-VMXDCPSBSA-N 392.503 2.668 0 40 GFAB Nc1ncnc2c1ncn2CCC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 666636168 NLLSJUXCYXLZEN-HNNXBMFYSA-N 389.463 2.686 0 40 GFAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)C3CCOCC3)C[C@@H]1CCO2 1534646742 SEZYTOHSLSPWJM-ROUUACIJSA-N 386.492 2.997 0 40 GFAB O=C1CC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)CN1Cc1ccncc1 1565555625 DZRPPPQHMFKWCH-UHFFFAOYSA-N 380.448 2.602 0 40 GFAB Cc1cncc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615161185 WMLSLSJDDZDJEL-OAQYLSRUSA-N 383.423 2.567 0 40 GFAB CCOC(=O)[C@H]1CCc2c([nH]c3c(C(N)=O)cc(F)c(Br)c23)C1 1772714991 LWUFHKDWWXEEGI-ZETCQYMHSA-N 383.217 2.836 0 40 GFAB Cc1cc(C)n(-c2cc(OCC3CCN(c4ncc(F)cn4)CC3)ncn2)n1 1775970874 SZXSVCMYEJWOAW-UHFFFAOYSA-N 383.431 2.504 0 40 GFAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cccs2)C1 2055751085 GMLZQONGKQDRKV-FQEVSTJZSA-N 387.505 2.598 0 40 GFAB CCC1(CC)NC(=O)N(C[C@@H](O)COc2c(Cl)cccc2Cl)C1=O 24093237 JFGGJCTVHIYRQF-SNVBAGLBSA-N 375.252 2.844 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(N)n2-c2ccccc2)cc1 624918 MTMNZMRBTZBBSV-UHFFFAOYSA-N 382.449 2.539 0 40 GFAB CCOC(=O)N1CCC(NC(=O)c2cc(C)cc(Br)c2O)CC1 47816662 RRLAGKDXGCFNQB-UHFFFAOYSA-N 385.258 2.814 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2ccnc(-n3ccnc3C)c2)cc1C 55242520 DWUMXLCHMSFHKP-UHFFFAOYSA-N 386.477 2.680 0 40 GFAB O=C(COC(=O)COc1ccc(Br)cc1)NCc1ccccc1 3245446 UWJVZSLEPRWSLM-UHFFFAOYSA-N 378.222 2.688 0 40 GFAB COCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 25166286 LGISXPXDJAIXOM-UHFFFAOYSA-N 390.823 2.740 0 40 GFAB CC(=O)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4899991 HOKIFLYHNPKFGY-DGJUNBOTSA-N 384.384 2.746 0 40 GFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 6948444 VUXOPWFAKKEINB-GDNBJRDFSA-N 378.450 2.609 0 40 GFAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2)CC1 7387352 WXDFBXDFBKTATL-UHFFFAOYSA-N 390.553 2.850 0 40 GFAB CC(C)C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 7977193 IGBOYRXFPZKEGI-UHFFFAOYSA-N 384.388 2.805 0 40 GFAB O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1sccc1C1CC1 108366832 YUOHLUFIVZDSMG-ZWKOTPCHSA-N 395.528 2.954 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1C 20801257 LLOGGXDSZYYIBL-PMACEKPBSA-N 391.471 2.760 0 40 GFAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 100307621 WGFHSIVDHDSQFC-DVVRBGAWSA-N 377.227 2.691 0 40 GFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCCC[C@H]1CNC(N)=O 58341652 AXLKFFWRQBFUIF-INIZCTEOSA-N 381.542 2.812 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)c2nn(C)c(C)c2Br)CC1 28236244 PDUGQJKBWLFHPR-UHFFFAOYSA-N 391.313 2.757 0 40 GFAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN([C@@H]2CCCC[C@H]2O)CC1 89768434 GQJQXQCPHMIQSH-HUUCEWRRSA-N 393.336 2.603 0 40 GFAB O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCCC2)c1 3258689 YTWISXFCKMDASY-UHFFFAOYSA-N 398.444 2.773 0 40 GFAB NC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 28329311 AXOMAFPSALOCLJ-GOSISDBHSA-N 395.459 2.994 0 40 GFAB CCOC(=O)[C@]1(C)C=C(Nc2ccc(C(=O)O)c(O)c2)C(=O)N1c1ccccc1 2372802 ZMADAYLPTXPYSD-NRFANRHFSA-N 396.399 2.755 0 40 GFAB COCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccco3)nc21 36614266 RWRALYITTUGXMY-UHFFFAOYSA-N 375.406 2.537 0 40 GFAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 20816329 UKIUQHKPZOUOIX-CQSZACIVSA-N 387.461 2.563 0 40 GFAB CCOC(=O)N1CCC(C(=O)NC[C@H](Cc2ccccc2)N(CC)CC)CC1 29917206 CNYMILZJTGEINA-FQEVSTJZSA-N 389.540 2.924 0 40 GFAB COc1ccc2nc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)ccc2c1 12167656 UDWXJAUPOFCFPV-UHFFFAOYSA-N 397.456 2.936 0 40 GFAB CCCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248414 WTUXNJYDCASTRL-UHFFFAOYSA-N 376.906 2.666 0 40 GFAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3cc(OC)cc(OC)c3)C2=O)cc1 101260529 JMQMQHGWAQCANR-MSOLQXFVSA-N 380.404 2.764 0 40 GFAB O=C(COC(=O)c1cc(Br)c[nH]1)Nc1cccc2nsnc12 48231211 VCHZUTRUVIEGQA-UHFFFAOYSA-N 381.211 2.577 0 40 GFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1Cl 12735953 NRUNJFQUQLDLND-LBPRGKRZSA-N 399.882 2.908 0 40 GFAB CCCNC(=O)CN1CCC(NC(=O)c2ccc(SC(C)C)cc2)CC1 48367178 MVFBMSMQXULMCP-UHFFFAOYSA-N 377.554 2.908 0 40 GFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccccc1OC 12817915 DEGOUSKOLVNIIM-VAWYXSNFSA-N 393.443 2.620 0 40 GFAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)cc1 12972887 ASFOHYLTSZLJOY-KRWDZBQOSA-N 384.307 2.662 0 40 GFAB CN1CCN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1 13571518 DTQQUBXFEOUMHS-UHFFFAOYSA-N 378.428 2.613 0 40 GFAB biogenic COc1ccccc1CCC(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 6081446 NKKJTMBUUSOCBL-UHFFFAOYSA-N 396.443 2.935 0 40 GFAB COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccccc2)cc1 9236431 VMFPANLEKBVJOC-IRXDYDNUSA-N 381.461 2.993 0 40 GFAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccc2c(c1)OCO2 14163128 UNICFYRRXQZRPD-UHFFFAOYSA-N 397.406 2.591 0 40 GFAB O=C(Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)[C@@H]1CCCN1 61992926 WFKSMWKUOXZQNM-KRWDZBQOSA-N 393.395 2.889 0 40 GFAB biogenic CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 6587738 VWGFMYCAFPSXES-QFIPXVFZSA-N 399.491 2.859 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)ccc1F 6587760 PVLJKBAZZDBSNE-LJQANCHMSA-N 387.798 2.811 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1nc2ccccc2[nH]1 6589250 JOIFPFUCAKBHMA-HXUWFJFHSA-N 375.432 2.786 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)OCc2ccccc2OC(F)F)cc1 14569507 SSGNKQZKUQVFTM-UHFFFAOYSA-N 385.388 2.943 0 40 GFAB Nc1c(C(=O)NCc2cccs2)nnn1Cc1ccc(Br)cc1 4852369 QWCRLOGMUZHAIE-UHFFFAOYSA-N 392.282 2.663 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cn2ccccc2n1 4939041 YDDYSEZAWOZDJR-UHFFFAOYSA-N 384.461 2.761 0 40 GFAB CN(C)C(=O)c1ccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 67645322 KUBKVEWRTKQMEO-UHFFFAOYSA-N 395.438 2.713 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccoc2C)n1C 7236701 HZFPKFYCTVSVLN-KRWDZBQOSA-N 398.488 2.792 0 40 GFAB Cc1cccc(OCCN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 7493728 HWGNKUKRQXSDRB-UHFFFAOYSA-N 383.492 2.781 0 40 GFAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1C 15866646 VYIQLLBIHGMIQI-STQMWFEESA-N 375.494 2.720 0 40 GFAB COc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(C)no3)ccn2)cn1 65250863 VRGVPROOBULVFG-UHFFFAOYSA-N 390.403 2.564 0 40 GFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)o1 7988082 VRWPCXJJIPOJMY-UHFFFAOYSA-N 388.489 2.532 0 40 GFAB COC(=O)c1cc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)ccc1Cl 8091337 FMFKOJIVPFSCSW-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@H](c2ccnn2C)C1 71808725 XNLHAZHXYUFTLF-CABCVRRESA-N 378.484 2.872 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCN(C)CC(F)(F)F 69980255 HCRNLCFHKRBNIG-OAHLLOKOSA-N 388.434 2.833 0 40 GFAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 84011973 LAAHQDRFCKZMJG-RHSMWYFYSA-N 390.553 2.734 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3C[S@](C)=O)CC2=O)cc1 97139745 YBJBZSBVJGIMDF-XRHLQHRESA-N 384.501 2.861 0 40 GFAB COCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2 20716713 FAVLWEKYFFKKDM-UHFFFAOYSA-N 393.443 2.837 0 40 GFAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 84419553 RFVIGCRLLFRWQK-CYBMUJFWSA-N 392.444 2.778 0 40 GFAB O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 84501895 OMEKZOHMKYJEEU-BPLDGKMQSA-N 387.423 2.987 0 40 GFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9955995 PJUBJYSKXCOGCR-DHZHZOJOSA-N 395.484 2.674 0 40 GFAB C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@@H](c1ccccc1)N1CCOCC1 25701927 FHUVOJOTRPMAQI-ZHRRBRCNSA-N 392.455 2.985 0 40 GFAB CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](c1ccc(-n3cncn3)cc1)N2 306145977 XVAXFTCKCHWZQW-SFHVURJKSA-N 399.495 2.698 0 40 GFAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCOCC4)cc3)n2)cc1 32579153 WJUGUEBTWHLHEQ-UHFFFAOYSA-N 379.416 2.950 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N(C)Cc1ccccc1 408603717 GWTYWGPTQHBROU-CYBMUJFWSA-N 396.896 2.674 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2cc(N3CCCCC3)ncn2)cc1 36708491 MOCQAXUVGAPVSM-UHFFFAOYSA-N 386.477 2.984 0 40 GFAB C[C@@]1(C(=O)Nc2cccc(CN3CCOCC3)c2)Oc2ccccc2N=C1O 36358837 DBIIACVZXNQXNW-NRFANRHFSA-N 381.432 2.897 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1Cl 408617007 BZHGMJHSOVDZMT-CYBMUJFWSA-N 388.917 2.664 0 40 GFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218598548 NHVPZIMWEBWGRF-CMKODMSKSA-N 391.464 2.582 0 40 GFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1 72392225 AZUQRZXXXBGCHA-IBGZPJMESA-N 395.503 2.817 0 40 GFAB COc1ccc(I)cc1S(=O)(=O)N1CCCC[C@@H]1C 72414604 STFCEDQRJVUJJM-JTQLQIEISA-N 395.262 2.863 0 40 GFAB CCOc1ccc(S(=O)(=O)c2ccc(OCC)c(C(=O)O)c2)cc1C(=O)O 77313183 DSGDOXYEZTYKNT-UHFFFAOYSA-N 394.401 2.713 0 40 GFAB in-vitro COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccs1 225132508 IMYMYIJSHCWGDF-UHFFFAOYSA-N 375.855 2.778 0 40 GFAB Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225681178 XVTSHYZQHXUEKD-CYBMUJFWSA-N 392.502 2.654 0 40 GFAB COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919449 JSOMEDXBNNRAQG-QGZVFWFLSA-N 386.467 2.938 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)cc1 222746199 AGRRKHMUYJCXDZ-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB Cc1ccccc1CN1CC[C@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244578 UKRVARDUBIEVTF-HSZRJFAPSA-N 394.519 2.604 0 40 GFAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC(=O)N2C)cc1 96181233 MBPUTTBQAVIFEI-IFMALSPDSA-N 393.487 2.990 0 40 GFAB Cc1ccccc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237911 PZKHGUFJALZTLW-QFIPXVFZSA-N 381.451 2.697 0 40 GFAB COc1ccccc1[C@@H]1CN(C(=O)c2cccc(-c3cncnc3)n2)CCN1C 257255164 KGJRJKWVGRNGKB-FQEVSTJZSA-N 389.459 2.676 0 40 GFAB Clc1ccc(OCCc2cc([C@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1 257215174 CPBJLNFKKVATEJ-GOSISDBHSA-N 387.871 2.981 0 40 GFAB CC(=O)N1CCN(Cc2cccc(-c3cncc(-n4cnc(C)c4)c3)c2)CC1 629761655 HLLSMHXWHLMHOM-UHFFFAOYSA-N 375.476 2.907 0 40 GFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1cccnc1-n1ccnc1 29914007 ZJLKGPWKYTXUDM-UHFFFAOYSA-N 380.496 2.986 0 40 GFAB CC(C)(O)c1cn(C2CN(C(=O)c3ccccc3Nc3ccccc3)C2)nn1 97050786 UNJQPUSNYVKICA-UHFFFAOYSA-N 377.448 2.946 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nnnn2[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100172342 ZXNNAMQLLOBIED-KYOSRNDESA-N 387.465 2.552 0 40 GFAB COc1cccc([C@H](C(=O)O)N2CCN(c3ncnc4sccc34)CC2)c1 634690627 PTFYBJDPZYQHFL-MRXNPFEDSA-N 384.461 2.648 0 40 GFAB COc1cccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N(C)C)c1 17794865 NOXZIGJDQZNBPM-KRWDZBQOSA-N 385.489 2.772 0 40 GFAB O=C1CCOC[C@]2(CN(Cc3cccc(F)c3F)C[C@H]2c2cccc(F)c2)N1 19294279 SRVHZLQEHKPZKJ-UWJYYQICSA-N 390.405 2.979 0 40 GFAB Cc1c(C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)[nH]c2ccccc12 19565830 GJARIJMQDRNSSZ-HNNXBMFYSA-N 388.475 2.809 0 40 GFAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C2CC2)C1 19578705 FGHAHYKYYRQISN-QFIPXVFZSA-N 381.476 2.991 0 40 GFAB Cc1oc(C2CC2)cc1C(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19582547 SRZJHYVNHBNMGB-INIZCTEOSA-N 382.464 2.727 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)c1 19588310 PAPTZHLFRXXCFI-UHFFFAOYSA-N 396.491 2.502 0 40 GFAB Cc1nccn1C[C@@H]1CCCN(CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 19657946 VTMWOZNBGLERHD-GOSISDBHSA-N 378.480 2.728 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1NC(C)=O 19684501 JBBGFQNDUWUKNN-GFCCVEGCSA-N 378.450 2.702 0 40 GFAB COc1ccc(Cc2ccc([C@@H]3CN(Cc4cnn(C)c4)CCO3)nc2)cc1 19692393 BCNWTKZTECPSEA-QFIPXVFZSA-N 378.476 2.988 0 40 GFAB C/C(=C\[C@H](C)C[C@@H](C)c1ccc(C)cc1/C=C/CO)C(=O)N[C@@H](CO)C(=O)O 31163101 OLHMPWBLHDQGDT-JGKYALHHSA-N 389.492 2.638 0 40 GFAB biogenic,in-vitro CNC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)sc(C)c1C 4570453 FUVPBWMJQLKBBA-UHFFFAOYSA-N 394.518 2.835 0 40 GFAB CCNC(=O)Cc1csc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 8849946 KGQYTWMFMHKKGD-UHFFFAOYSA-N 392.506 2.511 0 40 GFAB COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3ccnn3C)nc12 13655167 HPWWIFKTZRMUFI-UHFFFAOYSA-N 387.509 2.945 0 40 GFAB Cc1cc(C)cc(C(=O)NCCCS(=O)(=O)N2CCc3ccccc3C2)c1 16849377 LLJWWDAMOMLEGO-UHFFFAOYSA-N 386.517 2.811 0 40 GFAB CCN1CCN([C@H](c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1 22458083 LGQWGYQIGWJXSZ-MRXNPFEDSA-N 387.509 2.540 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(CCN3CCOCC3)o2)cc1Cl 22714106 AXNFNGMVWPCDIU-UHFFFAOYSA-N 396.900 2.637 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1cccs1)n1cccn1 575613632 IRIWONYMQPSMMV-MRXNPFEDSA-N 389.502 2.514 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 5516130 OMWHTAYEJIPWAP-UHFFFAOYSA-N 382.397 2.533 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1=O 60932552 MMEINVHHTWAVNS-UONOGXRCSA-N 378.432 2.802 0 40 GFAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccc(Cl)cc1 30021072 RFYVKNOZFLCXGK-UHFFFAOYSA-N 396.921 2.810 0 40 GFAB Cc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccccc2C)CC1 30019494 NCUVFXJZFZIDHG-UHFFFAOYSA-N 379.504 2.768 0 40 GFAB CC(C)(C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1)c1ccccc1 31244979 GHCWWSGUYWVTND-UHFFFAOYSA-N 376.460 2.825 0 40 GFAB COc1cc(CNC(=O)CNC(=O)C2CCCC2)ccc1OCc1cccnc1 31709843 LZGSBVLEIASSRA-UHFFFAOYSA-N 397.475 2.592 0 40 GFAB COc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12 20734598 ZCJMOIDSENZIQC-GFCCVEGCSA-N 375.392 2.979 0 40 GFAB COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1 653015 FMZBTLJCXGZKNF-UHFFFAOYSA-N 392.477 2.725 0 40 GFAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1 22608779 KDJBJWOMVSRICY-KRWDZBQOSA-N 380.897 2.519 0 40 GFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CNC3CCCC3)cc2)C1 902199 SCFDMWWQRNYHBU-OAHLLOKOSA-N 379.526 2.578 0 40 GFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 2370830 ZKKXTCQYJJZRAK-UHFFFAOYSA-N 382.449 2.566 0 40 GFAB CC(=O)Nc1cccc(NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)c1 2696719 HXMVNOSIJQBXBB-LLVKDONJSA-N 397.715 2.764 0 40 GFAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3435624 WUQHRUQYOAHDHP-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)NCc2ccc(Cl)cc2)cc1 3501770 VKNNLCGPCSGFQE-UHFFFAOYSA-N 389.868 2.733 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)c1ccc(Cl)s1 4251569 LFAFXHAAKUSQPA-UHFFFAOYSA-N 376.821 2.997 0 40 GFAB CN1C(=O)N/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 4741128 MNBPKQSMIOUEEZ-LICLKQGHSA-N 375.384 2.910 0 40 GFAB CCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 4787488 FFWZKOGFLBDPIX-NRFANRHFSA-N 380.400 2.628 0 40 GFAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1OC)CC(=O)N2 4944318 SWVJUMKBEHCDJH-LLVKDONJSA-N 375.450 2.763 0 40 GFAB COc1ccc(CCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1 5077922 CGAWMHAKJVRCEG-UHFFFAOYSA-N 391.493 2.646 0 40 GFAB CCc1ccc2c(COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cc(=O)oc2c1 5876657 IQAZBBSNNZZUTK-FOIQADDNSA-N 387.457 2.853 0 40 GFAB COc1ccccc1[C@@H]1[C@H](C(=O)OCC(N)=O)CCC(=O)N1c1ccc(C)cc1 6363023 VQGFLZLZPJWNIO-DYESRHJHSA-N 396.443 2.516 0 40 GFAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@H]2CCCO2)ccc1C 6623475 SSZIPTGULHITSK-QGZVFWFLSA-N 390.461 2.922 0 40 GFAB COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 6841288 ZITZACCRUGQFFI-HZSPNIEDSA-N 399.329 2.914 0 40 GFAB Cc1nnc(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1C 7229965 MQKBBENHMRMUIP-UHFFFAOYSA-N 399.442 2.583 0 40 GFAB COc1ccccc1CNC(=O)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 7306014 JQJBEYLRQRNSBS-DYESRHJHSA-N 382.485 2.902 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)C1CCN(S(=O)(=O)c2cccs2)CC1 7407509 XIHFUGJEZPILLG-UHFFFAOYSA-N 398.535 2.516 0 40 GFAB COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc(OC)c1 7459209 AMJNATJOCIAPBM-UHFFFAOYSA-N 399.378 2.650 0 40 GFAB C[C@H](CNC(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 7679645 PKXNQNROTYFWLN-HUUCEWRRSA-N 378.428 2.993 0 40 GFAB COC(=O)c1cc(OCC(=O)N[C@@H](C)CCCC(C)C)cc(C(=O)OC)c1 7771431 HVEVXXHYGDYODW-AWEZNQCLSA-N 379.453 2.970 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCCC2)cc1Cl 7881264 GDEMAGWOWDDLRW-UHFFFAOYSA-N 388.917 2.808 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC(=O)N4)C2=O)cc1 7989222 DGVMPTZTUPSPHY-QFIPXVFZSA-N 391.427 2.530 0 40 GFAB COc1ccccc1N1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 8200774 VZKPJOUDNNKSQB-LJQANCHMSA-N 397.500 2.847 0 40 GFAB Cn1nc(CC(=O)NCC2(N3CCCCC3)CCCCC2)c2ccccc2c1=O 8324871 LVXFYZMJBUEOHX-UHFFFAOYSA-N 396.535 2.781 0 40 GFAB Cc1ccccc1-n1nnnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 8326274 PGLJPSFDBZLZRU-GOSISDBHSA-N 395.488 2.663 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8647173 JQCRCIVIFKWHMM-IBGZPJMESA-N 386.791 2.719 0 40 GFAB COC(=O)c1c(NC(=O)COC(=O)c2n[nH]c3ccccc23)sc2c1CCC2 8710150 VFEPJQPMHOPGNQ-UHFFFAOYSA-N 399.428 2.695 0 40 GFAB O=C(Cn1nnn(-c2ccccc2)c1=O)N(Cc1ccco1)C1=CCCCC1 9544823 MNOKSNWAALOPPT-UHFFFAOYSA-N 379.420 2.509 0 40 GFAB CCOCCCNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 10339134 VQJAZUBKBYCNTC-UHFFFAOYSA-N 390.933 2.737 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 10446426 PJPLWXVSLBYCDZ-UHFFFAOYSA-N 393.487 2.911 0 40 GFAB Cc1nn(CC(=O)N[C@H](C)CCc2ccco2)c(=O)c2cc3ccsc3n12 12146463 HVFVATJAJKTZTP-GFCCVEGCSA-N 384.461 2.750 0 40 GFAB COc1cc(OC)c(NC(=O)c2cc(F)ccc2-n2cnnn2)cc1Cl 12388885 BQMIUFPMTNUXFR-UHFFFAOYSA-N 377.763 2.724 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)CSCc2cccc(Cl)c2)CC1 12912567 KBEZIUQTSDVCBG-UHFFFAOYSA-N 390.958 2.504 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 12936884 GSGCDNAMCQEFDB-GOSISDBHSA-N 378.425 2.546 0 40 GFAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 12975248 HIDNARPKCQWISJ-UHFFFAOYSA-N 391.371 2.887 0 40 GFAB COC(=O)c1ccc(CN(C)Cn2nnn(-c3cccc(C)c3)c2=S)cc1 12982985 LDIQSIUTZFLFNB-UHFFFAOYSA-N 383.477 2.983 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)cnc21 12994030 RPHMYPITTUMKBV-ZDUSSCGKSA-N 379.420 2.765 0 40 GFAB Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccco3)ccc21 13683636 AMWUHCXBHRSIEZ-QGZVFWFLSA-N 396.447 2.646 0 40 GFAB C[C@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NC3CC3)n2Cc2ccco2)C1 14084352 GDBDQPDGISWGNF-OKILXGFUSA-N 389.525 2.772 0 40 GFAB O[C@@H](COCCOc1ccc(Cl)cc1)CSc1nnc2ccccn12 14200903 JPZRDSCJABMCNW-AWEZNQCLSA-N 379.869 2.931 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)nc1 16025004 FZWKGSWQGJXWGT-UHFFFAOYSA-N 389.824 2.578 0 40 GFAB Cc1cccc(CN2CCCN(C(=O)Cc3ccc4c(c3)C[C@H](C)O4)CC2)n1 19236272 DTWCOPPXTNFCFM-SFHVURJKSA-N 379.504 2.990 0 40 GFAB O=c1cc(C[C@H](NCc2ccncc2)c2ccc(F)cc2)nc(N2CCCC2)[nH]1 19332508 NLMWQFJGYJDHQL-FQEVSTJZSA-N 393.466 2.978 0 40 GFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nnc(-c2ccccn2)o1 19403400 XKMQCXZNHSKEOL-OAHLLOKOSA-N 392.387 2.936 0 40 GFAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@@H]1CCCO1 19696474 PUISYEFZTKJQPO-PGRDOPGGSA-N 397.475 2.560 0 40 GFAB Cc1nn(C)c2nc(C3CCN(C(=O)[C@@H](C)Cn4ccnc4C)CC3)ccc12 19744594 LEYWEUXXGUFLAV-AWEZNQCLSA-N 380.496 2.824 0 40 GFAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCc4ccccc4C3)c2)C1=O 19797473 GIESEFJCXACZME-UHFFFAOYSA-N 398.484 2.588 0 40 GFAB Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3ccc(F)cc3)n2)s1 20503058 NVJLSWNQAUQXJB-UHFFFAOYSA-N 391.457 2.820 0 40 GFAB O=C1N(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2C12OCCCO2 20530846 WDEVPBDVKKKECS-UHFFFAOYSA-N 397.450 2.542 0 40 GFAB CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cccc(OC)c3n2)[nH]c1=O 20673242 GFDJTNNOTHPQBV-UHFFFAOYSA-N 397.435 2.578 0 40 GFAB CCCOc1ccc(OCCOC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 21370714 OQPGMPRZYZQCEU-UHFFFAOYSA-N 383.400 2.937 0 40 GFAB O=C1CN(C(=O)c2ccccc2I)c2ccccc2N1 22064133 JTFNCICDJSQUAD-UHFFFAOYSA-N 378.169 2.890 0 40 GFAB O=S(=O)(N1CCc2ccccc2C1)N1CCO[C@H](c2ccc(F)cc2)C1 23058173 UGNFTWOLRUUFPP-IBGZPJMESA-N 376.453 2.502 0 40 GFAB COc1ccc(OC[C@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 24085557 IMFDMSVGRUVQJM-OAHLLOKOSA-N 385.441 2.797 0 40 GFAB CN(Cc1ccc(Cl)s1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 24572730 TXDXKYJBSSBZAJ-UHFFFAOYSA-N 378.837 2.792 0 40 GFAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCCCC1 24607578 YONBYRQMEBUWEH-UHFFFAOYSA-N 384.929 2.894 0 40 GFAB CS(=O)(=O)Nc1cccc(CN[C@H](C(=O)N2CCCC2)c2ccccc2)c1 24762861 GBRBDLQZCDYGMB-IBGZPJMESA-N 387.505 2.511 0 40 GFAB NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(O)cc2)cc1 28769523 GWKIGBPJRYWOIQ-UHFFFAOYSA-N 383.351 2.911 0 40 GFAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1Cl 28807885 SREHOKIKTCXWAR-QMMMGPOBSA-N 383.857 2.957 0 40 GFAB CCCCn1nnnc1CN1CC=C(c2c(OC)cc(OC)cc2OC)CC1 29633005 XQRFTPCCDFSWJS-UHFFFAOYSA-N 387.484 2.788 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)NC[C@H]2COc3ccccc3O2)c(C)c1 31036932 HKKQADYSYBGVAO-INIZCTEOSA-N 383.448 2.690 0 40 GFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)n3nnc(-c4ccc(F)cc4)n3)ccc21 31650993 VLRFIDGSLBKYBL-GFCCVEGCSA-N 379.395 2.832 0 40 GFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1)SCC(=O)N2 31810213 IJNHKHPNZRJMIS-OAHLLOKOSA-N 377.433 2.622 0 40 GFAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc2c(c1)CCC2 32513656 BKTFYLRHQQWCMN-GOSISDBHSA-N 392.546 2.589 0 40 GFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2oc1=O 32603692 MNYVDWDCTBGNRP-SFHVURJKSA-N 390.395 2.788 0 40 GFAB COc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCOCC3)no2)cc1 33325126 BLAOPUIEYMYZTD-UHFFFAOYSA-N 395.415 2.650 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 36812071 CIGWHDYDNOJOLP-JTQLQIEISA-N 382.511 2.592 0 40 GFAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 40059268 CCKOTYJCOWTUHJ-OAQYLSRUSA-N 386.496 2.972 0 40 GFAB C[C@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]2C[C@@H]1C2(C)C 40073549 QNHJMTKJDFGIIU-NYTXWWLZSA-N 397.493 2.528 0 40 GFAB CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 40145554 KHRNUQSHROVJIO-HNNXBMFYSA-N 385.489 2.989 0 40 GFAB COc1cccc(-c2noc(CCC(=O)NCc3ccc4c(c3)OCO4)n2)c1 41185266 IJAHFOFOZDVXGN-UHFFFAOYSA-N 381.388 2.723 0 40 GFAB Cc1ccc(CN(C)C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)o1 43998200 SDPHFENIIYEEIG-SJORKVTESA-N 376.453 2.528 0 40 GFAB CN(Cc1ccccc1F)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 45052970 QIWANHFDNLSQAE-UHFFFAOYSA-N 390.480 2.858 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)c1ccc(Cl)cc1N1CCCC1=O 48168571 QJXDWHASJDEATQ-UHFFFAOYSA-N 395.850 2.978 0 40 GFAB CN1N=C(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)CCC1=O 48303019 KHRLAXMKCCEHDI-UHFFFAOYSA-N 379.395 2.840 0 40 GFAB CS(=O)(=O)/N=C(\O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 48487469 CDNUPALKFMYHCX-UHFFFAOYSA-N 398.366 2.946 0 40 GFAB COc1cccc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3C)c1 49410031 CFTDETWVZGZFTL-UHFFFAOYSA-N 379.460 2.816 0 40 GFAB biogenic Cc1cc2nc(SCC(=O)NCCc3ccc(Cl)cc3)n(C)c(=O)c2[nH]1 57521506 CBUKCJNKXFCBAB-UHFFFAOYSA-N 390.896 2.674 0 40 GFAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 58010636 QGXPDSBNXUPMAA-UKRRQHHQSA-N 385.365 2.705 0 40 GFAB CC(C)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1 62006707 BTHSLUNAVMSQJZ-UHFFFAOYSA-N 379.395 2.945 0 40 GFAB COc1ccc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1-c1ccccc1 65309184 ZPLBTTVBMZNOLO-GOSISDBHSA-N 379.460 2.992 0 40 GFAB CCN(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 65489611 CQBDIYPQMHJJRH-AWEZNQCLSA-N 381.432 2.863 0 40 GFAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 69419381 AGHSZHYGAFSQKJ-FXAWDEMLSA-N 391.471 2.875 0 40 GFAB CC(C)Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1 72054872 ZSMZCDNQKMYAIZ-KRWDZBQOSA-N 382.551 2.570 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)o1 72342637 OJUWJIOYUHTATG-YFNREYABSA-N 394.475 2.977 0 40 GFAB Cn1c(CCNC(=O)c2ccc(N3CCOC3=O)cc2)nc2ccc(F)cc21 78779144 BRUDPMZGPHDDFK-UHFFFAOYSA-N 382.395 2.642 0 40 GFAB Cc1nc(N2CCC(N3CCCC3)CC2)cc(N2CCC(N3CCCC3)CC2)n1 84271845 AKJKFBGWFFFGOH-UHFFFAOYSA-N 398.599 2.914 0 40 GFAB O=c1[nH]c(CN2CCN(c3ccccc3F)CC2)nc2sc3c(c12)CCC3 89814102 YUTYJDNYUYSBIQ-UHFFFAOYSA-N 384.480 2.935 0 40 GFAB C[C@H](OC(=O)c1c[nH]c2ccc(F)cc12)C(=O)Nc1sccc1C(N)=O 95966988 PJSQDSFCBOXNMY-QMMMGPOBSA-N 375.381 2.651 0 40 GFAB Cc1ccc(CNC(=O)c2cc(-c3cnc(-c4ccnn4C)nc3)cn2C)o1 96266371 XHLYGWAFAUSPGN-UHFFFAOYSA-N 376.420 2.714 0 40 GFAB Cc1ccc([C@H](CNC(=O)C[C@@H]2OC(=O)c3ccccc32)N2CCOCC2)cc1 97207929 NJIMJNLTCBVPFT-SFTDATJTSA-N 394.471 2.786 0 40 GFAB O=C1C[C@H](n2nc(-c3ccccc3Br)oc2=S)[C@H]2CO[C@H]1O2 103020074 PWQGUYBBFKDPCJ-NDMJEZRESA-N 383.223 2.890 0 40 GFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(c3ccccc3)C2)c1 106670757 OTEOXSKZUXVPEJ-ZDUSSCGKSA-N 378.881 2.752 0 40 GFAB COc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222479506 GDFYOWLSBVTPDW-UHFFFAOYSA-N 390.505 2.762 0 40 GFAB Cc1ccc(C)c(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 224039621 HFRDGAOOQDGHIZ-UHFFFAOYSA-N 376.478 2.508 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(F)cc2F)cc1 224597856 UXIBCEJWUVXSRL-UHFFFAOYSA-N 385.388 2.732 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1 224741294 ORKQYHWPAMSUTR-KRWDZBQOSA-N 384.476 2.611 0 40 GFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(Cl)cc1F 225630114 NKHXVUCBAKRZAW-UHFFFAOYSA-N 396.871 2.861 0 40 GFAB COc1ccc(CC(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1OC 225753997 ITUOMCNLDRFLRA-UHFFFAOYSA-N 384.480 2.632 0 40 GFAB S=C(NC[C@@H]1CCCO1)Nc1nc(N2CCCCC2)cc(N2CCCC2)n1 225906649 BNKDKVHBLZZHMH-HNNXBMFYSA-N 390.557 2.533 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC2)c1 225940162 GLHSLINGAMEJCB-UHFFFAOYSA-N 386.517 2.815 0 40 GFAB O=C([C@H]1COc2ccccc2O1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 244975020 HXZJBPSYYWLLEY-SWLSCSKDSA-N 383.429 2.954 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230426 RJLMGMCXBGHCTN-KYFSNAEOSA-N 398.484 2.828 0 40 GFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCc2ccccn2)Oc2ccccc21 247508059 RZRXQZIPABIJGK-HIMJEHTPSA-N 377.444 2.653 0 40 GFAB O=C(C1CCSCC1)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 247889731 YBGZPGAVJGIJBD-WDSOQIARSA-N 376.522 2.605 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252517032 ZBFDNCIXENKZHR-NUJGCVRESA-N 380.849 2.997 0 40 GFAB C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 257240249 HSSZLNUCBKRYPI-HNBVOPMISA-N 383.536 2.744 0 40 GFAB CC(=O)N1CCC[C@H]2N(C(=O)CN(C)Cc3ccc(F)cc3)CCC[C@@]21C 257342469 ZOTHMUNYSZUSLU-CTNGQTDRSA-N 375.488 2.650 0 40 GFAB COc1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)cc1 408527046 AKWPBRMPCWNFIL-UHFFFAOYSA-N 398.444 2.847 0 40 GFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 408592900 KSCBCSSESDKJGD-GFCCVEGCSA-N 382.869 2.963 0 40 GFAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 408608037 MDZLDRXPLBZIDA-IBGZPJMESA-N 388.489 2.599 0 40 GFAB CN1CCCCN(S(C)(=O)=O)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 618017124 DSUPVNQJWPSUCZ-AEFFLSMTSA-N 380.510 2.504 0 40 GFAB CC1(C)OCC[C@@H]1CNC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 664623589 IUCNNASBUDEYRB-GDBMZVCRSA-N 387.459 2.513 0 40 GFAB O=C(/C=C/c1ccccc1Cl)N1CCCc2cnc(N3CCOCC3)nc21 675008210 IRXHKSXCHBWGLC-BQYQJAHWSA-N 384.867 2.959 0 40 GFAB Nc1nc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc(-n2cccn2)n1 678480542 CHRCSHCRVLLBAC-CYBMUJFWSA-N 389.385 2.954 0 40 GFAB Cc1nc(N2CC[C@H](COc3cccc(C(F)(F)F)n3)C2)c2cnn(C)c2n1 1889149465 QYJUYFIYJICLQT-LBPRGKRZSA-N 392.385 2.991 0 40 GFAB CC(=O)Nc1cc(C(=O)N2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)ccn1 2037912970 HTYVUIRUNHLBFE-QFIPXVFZSA-N 397.475 2.703 0 40 GFAB O=C(N[C@H]1CCC12CCN(C(=O)/C=C/c1cccs1)CC2)c1cnccn1 2055803576 LPAKSJTVWNLVGA-IDOMTICXSA-N 382.489 2.753 0 40 GFAB Cn1cc(-c2cncc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cn1 2298214481 JARGGASXXXCMTH-UHFFFAOYSA-N 389.385 2.618 0 40 GFAB COc1cc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C=O)cc(OC)c1OC 78549321 XYKRNAKYHAEBFG-OAHLLOKOSA-N 384.388 2.749 0 40 GFAB COCCOc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cn1 78802995 AYNQLTQVEQEIPD-AWEZNQCLSA-N 394.472 2.580 0 40 GFAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc12 1331726 YEUMQZJPZPPYKF-KBPBESRZSA-N 399.520 2.946 0 40 GFAB O=C(Nc1ncccc1O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 24926402 QDONJDGMGNNKDH-JTQLQIEISA-N 376.210 2.541 0 40 GFAB O=C(OCc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 2145879 VPPDEEZJOFBAPZ-GJPOJAMWSA-N 375.424 2.712 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccncc1 4169296 YJKUJLGAHDLUFT-UHFFFAOYSA-N 399.476 2.726 0 40 GFAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C3CC3)c3nnnn3c2c1C 4879708 UZKYAYNWFWGYIW-SFHVURJKSA-N 379.464 2.812 0 40 GFAB COc1ccc2c(c1N(CCO)CCO)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 6235666 XXRXISZRSUUGHE-XPDMDZMYSA-N 387.520 2.911 0 40 GFAB CCc1nn2c(=O)cc(COC(=O)c3ccccc3Br)nc2s1 6588502 UZNDOOMDBGSGMR-UHFFFAOYSA-N 394.250 2.833 0 40 GFAB COc1cccc(NC(=O)CN(C)C(=O)CN2c3ccccc3CC[C@@H]2C)c1 7217374 OCUKYCQIIWSKBQ-INIZCTEOSA-N 381.476 2.933 0 40 GFAB CCOC(=O)c1c(C)oc2ncn(Cc3cc(C(C)=O)ccc3OC)c(=O)c12 7553233 DRQIBGZSODEDFD-UHFFFAOYSA-N 384.388 2.734 0 40 GFAB CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 105936526 ZBJLFNXGNGXHHP-IBGZPJMESA-N 387.911 2.650 0 40 GFAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 12536361 GKRGATGXXZPPAZ-UHFFFAOYSA-N 384.480 2.788 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](C)CCc1ccccc1 72403252 SQGRJJZRBDBCBU-KDOFPFPSSA-N 389.521 2.611 0 40 GFAB CC[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)NCc1ccccc1 8749354 IFRQFHOBJQXTER-QGZVFWFLSA-N 399.495 2.909 0 40 GFAB CCn1nc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2c1=O 8806775 QBGATFOBPAMMAA-GRDNDAEWSA-N 385.464 2.657 0 40 GFAB Cc1ccc(-n2c(S[C@@H]3CCCCNC3=O)nc3ccccc3c2=O)nc1 10193483 XSQOVMNHNXDXGI-MRXNPFEDSA-N 380.473 2.850 0 40 GFAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 58194679 VAQUVPDQPZXHRY-SFHVURJKSA-N 377.322 2.510 0 40 GFAB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2cc[nH]c2c1 58178621 OBHGTBZXFBADGA-UHFFFAOYSA-N 376.460 2.637 0 40 GFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 58225551 HDUBVZIPCWTLSI-JTQLQIEISA-N 375.812 2.582 0 40 GFAB Cc1cccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2C[C@H]2CCCO2)c1 101113782 QCIOZYAHPRZYQW-KGWRKDBXSA-N 378.432 2.950 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 58419198 AEQAKMCNPKYEFS-LJQANCHMSA-N 387.457 2.742 0 40 GFAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 2359419 NFJGUDCXRIDVNB-CMDGGOBGSA-N 388.474 2.639 0 40 GFAB COCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120157 NUXXHEKNIXFCIN-UHFFFAOYSA-N 388.489 2.748 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1N 3250083 AGEUJGNHTLSEQO-STQMWFEESA-N 375.498 2.549 0 40 GFAB NC(=O)c1cccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 29367065 SPSUCDHXYOTBAB-UHFFFAOYSA-N 385.777 2.574 0 40 GFAB CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 60489844 ORKFZFIDOVTHAI-GJZGRUSLSA-N 384.446 2.917 0 40 GFAB CC(=O)c1cccc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)c1 11997148 WDCJTLBRJHQGMP-INIZCTEOSA-N 389.477 2.821 0 40 GFAB Cc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(C)n1C[C@H]1CCCO1 2657790 MNRGNVHIDNPVRC-IIBYNOLFSA-N 399.443 2.850 0 40 GFAB CC(C)Oc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20245836 AZMWDGRLHGBOPG-UHFFFAOYSA-N 391.493 2.969 0 40 GFAB COC(=O)c1sc2ncn3nc([C@H](C)n4cc(Cl)cn4)nc3c2c1C 2803934 TVPZKMPVTQJZHV-QMMMGPOBSA-N 376.829 2.893 0 40 GFAB Cc1nc2cc([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)nn2c(O)c1C 100137743 UFTUOEHHUGIUGW-CQSZACIVSA-N 381.436 2.937 0 40 GFAB O=C(NCc1ccco1)C1CCN(C(=O)NCCc2cccc(F)c2F)CC1 95958689 ZDQOWNBDCFURCI-UHFFFAOYSA-N 391.418 2.838 0 40 GFAB CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1 20714488 NSTPZPKZJUIUDA-UHFFFAOYSA-N 394.269 2.705 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1OC 3374120 XEBHLAREJULDFT-OAQYLSRUSA-N 382.416 2.662 0 40 GFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccsc1C(=O)OC 22021481 GOWAWGTZQGSXPM-NSHDSACASA-N 396.490 2.864 0 40 GFAB O=C(NCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccco1 9156063 SIAJAJBONDKVPW-INIZCTEOSA-N 384.432 2.925 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)c2ccccc2SC)cc1OC 3421142 GFROUFKSJPAACS-UHFFFAOYSA-N 389.473 2.941 0 40 GFAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)C1CCCCC1 13059494 ZWHRXNDGFWPWLO-JOCHJYFZSA-N 383.492 2.733 0 40 GFAB C[C@@H](Nc1ccc2c(c1)NC(=O)CS2)C(=O)N1CC(=O)Nc2ccccc21 9220486 YYJHNFRTXOWGTN-LLVKDONJSA-N 382.445 2.517 0 40 GFAB CC(=O)Nc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2s1 13683361 UUMRKCFDEFPHDV-UHFFFAOYSA-N 381.461 2.612 0 40 GFAB Cc1ccc(-n2cc(C(=O)Nc3ccc(OCC(=O)O)c(Cl)c3)nn2)cc1 95464072 MHTDCBDBFFESRG-UHFFFAOYSA-N 386.795 2.945 0 40 GFAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@H](C)O1 25073872 WTCNRHDNGMRZKW-KBPBESRZSA-N 380.448 2.718 0 40 GFAB O=C1CN(C(=O)COc2ccc3ccccc3c2)S(=O)(=O)c2ccccc21 5274919 JGYQMGHFWATRKX-UHFFFAOYSA-N 381.409 2.632 0 40 GFAB CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O 6624022 HHFLZRRJEFOTLR-HNNXBMFYSA-N 387.432 2.727 0 40 GFAB biogenic O=C(NCc1cccnc1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768299 ZOTKZMXNZVJRQE-UHFFFAOYSA-N 387.403 2.520 0 40 GFAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857152 JAGKHEUFGIKIMC-KRWDZBQOSA-N 388.489 2.876 0 40 GFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1ccccc1F 6819060 IDAOVCLENVKQPG-UHFFFAOYSA-N 393.374 2.582 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 6999185 BFVLHKIFPZDPPV-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB COC(=O)c1cccc(NC(=O)c2sccc2NC(=O)c2cnccn2)c1 67335975 DYPVMLHARUONIN-UHFFFAOYSA-N 382.401 2.829 0 40 GFAB Cn1nc(C(=O)/N=c2/sccn2Cc2ccc(Cl)cc2Cl)ccc1=O 15652091 YJTCEJIDGFPFDH-KNTRCKAVSA-N 395.271 2.740 0 40 GFAB O=C(NCc1cn2ccccc2n1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 7775789 JXGYGBKXGNEWBO-INIZCTEOSA-N 377.448 2.895 0 40 GFAB C[C@H]1Oc2ccc(NC(=O)CSc3ccc4c(c3)OCCO4)cc2NC1=O 8014568 VOAXQPDESLSRND-LLVKDONJSA-N 386.429 2.908 0 40 GFAB CCn1nc(C(=O)OCc2nc(-c3ccsc3)no2)c2ccccc2c1=O 16768948 VCVWHBIBSXFSGN-UHFFFAOYSA-N 382.401 2.885 0 40 GFAB CN(CC(=O)NCCCn1ccc2ccccc21)S(=O)(=O)c1cccs1 8395560 DHXMIYRMODFDTA-UHFFFAOYSA-N 391.518 2.530 0 40 GFAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2ccccc2c1)C1CC1 72054909 JNYHRRCFEKSVBK-KRWDZBQOSA-N 376.503 2.524 0 40 GFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCCC1 8560284 NSQACCJJAWIQQD-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC[C@@H]1CCCO1 8940880 QRZDZAIMXBEZIB-HIFRSBDPSA-N 399.516 2.903 0 40 GFAB C[C@H]1CN(C(=O)CN2CCC(=O)N(Cc3ccccc3)c3ccccc32)CCO1 72308478 MXWDYASAPAHMPF-SFHVURJKSA-N 393.487 2.677 0 40 GFAB CCc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)s1 38554342 AVPMIBZEHKYEJB-UHFFFAOYSA-N 376.507 2.698 0 40 GFAB O=C1C[C@H]([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)Oc2ccccc21 72396471 JJWCNDMDQHIECJ-IFXJQAMLSA-N 376.416 2.616 0 40 GFAB Cc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N(C)C)n1 188284739 BKQGIKQSFKGLLF-UHFFFAOYSA-N 375.281 2.636 0 40 GFAB COc1cccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 38753713 XJYDYSXJBZNJBL-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB Cc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 38833263 CIKKEWPADFRWNW-INIZCTEOSA-N 380.853 2.814 0 40 GFAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 216341087 GNYNEZYOXZQOJX-HNNXBMFYSA-N 386.448 2.868 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224704736 DHBWMPFPJPSKHU-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCc2nn(C)c(=O)cc2C1 225787314 VBEKBEMIHCYYCK-ZDUSSCGKSA-N 398.850 2.684 0 40 GFAB NC(=O)CCN(C(=O)CN1CCC[C@@H]1c1ccsc1)c1ccc(F)cc1 46089377 XNPZNRXBOWXRGS-QGZVFWFLSA-N 375.469 2.933 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)ccc21 225541253 ZGRYFSUVGXSHIU-UHFFFAOYSA-N 387.461 2.745 0 40 GFAB O=S1(=O)[C@@H]2CCN(c3ncccn3)CC[C@@H]2CN1Cc1ccc(Cl)cc1 96145414 AUHZMPRINNTKNF-NVXWUHKLSA-N 392.912 2.561 0 40 GFAB CC(C)n1ncc2c1C[C@H](N[C@@H]1CCCc3ccc(S(N)(=O)=O)cc31)CC2 579413274 KFDQABYIUIJZAY-VQIMIIECSA-N 388.537 2.636 0 40 GFAB CC(C)NC(=O)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(C)C 95474514 FRNOTDJVCALIKH-QGZVFWFLSA-N 380.920 2.721 0 40 GFAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 95079642 VBWDTXPTDNZPQN-CYBMUJFWSA-N 379.482 2.515 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230155 MOQSAHOVJOVCIP-ISJRUSPKSA-N 392.455 2.767 0 40 GFAB COCCC(=O)N1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 257326170 WWCQERXYSFRKMM-CQSZACIVSA-N 375.498 2.954 0 40 GFAB COCCN(Cc1ccccn1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 614623992 HMLKTCXCONTVBM-UHFFFAOYSA-N 390.383 2.818 0 40 GFAB COc1cccc2[nH]cc(CC(=O)N3CCN(CCc4ccncc4)CC3)c12 636295830 RUGDDCXTPZAFRI-UHFFFAOYSA-N 378.476 2.501 0 40 GFAB C[C@H](Cn1cncn1)NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654415214 LDBFQQISSJXYEQ-CQSZACIVSA-N 377.439 2.999 0 40 GFAB O=C(NCc1ccccn1)c1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 655746061 LVDRBWGVMZWLAQ-OAQYLSRUSA-N 380.492 2.677 0 40 GFAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1cccc(-n2ccnn2)c1 666394608 WNFDVASNYSLPRB-HNAYVOBHSA-N 395.467 2.773 0 40 GFAB COc1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c2ccccc2n1 668334939 LOEQGWSJVARSLK-UHFFFAOYSA-N 377.448 2.774 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(-n2nc(C)cc2C)ncn1 90614230 TYUSTRUIJNEQLQ-UHFFFAOYSA-N 395.419 2.508 0 40 GFAB C[C@@](O)(CNS(=O)(=O)c1ccccc1Br)c1cccs1 90601973 XQZORVPAYVMJBW-CYBMUJFWSA-N 376.297 2.697 0 40 GFAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 96103448 DICPHPPYMJUJDY-LLVKDONJSA-N 399.456 2.682 0 40 GFAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 44115427 NTMZJTUATDYBIB-IEBWSBKVSA-N 381.432 2.929 0 40 GFAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCCCn2cccn2)c1 47447302 WXJSLUQWKZYAAO-UHFFFAOYSA-N 384.509 2.688 0 40 GFAB COc1ccnc(N2CCN([C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)n1 98134088 KDOUAXLINXYWCK-AWEZNQCLSA-N 398.442 2.866 0 40 GFAB Cc1ccc(-c2nn3c(SCC(=O)c4ccccc4)nnc3[nH]c2=O)cc1 5144123 ACURWSGYMKOOKC-UHFFFAOYSA-N 377.429 2.763 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)ccc3C)C2=O)cc1OC 11590503 NRDCVAZSFFNHMN-JOCHJYFZSA-N 396.443 2.971 0 40 GFAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(F)c(F)c2)NC(=O)N3)cc1 12144535 XYAPIMZOLXJJCZ-IBGZPJMESA-N 399.397 2.666 0 40 GFAB CCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 13083283 MNXXCGQVCFFTSQ-UHFFFAOYSA-N 394.479 2.871 0 40 GFAB COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 19237028 UVNKWBCKIUPKEV-KCXPTXFHSA-N 396.418 2.516 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 19238870 PHXMYYQXYNUDIL-CYBMUJFWSA-N 381.461 2.617 0 40 GFAB CN(CC1(C)COC1)C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21 19663406 NSTKGJVEOMFHNV-UHFFFAOYSA-N 384.524 2.907 0 40 GFAB CN1C[C@@H](C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1=O 12145565 ZVNCHBJDNDIWQI-GUYCJALGSA-N 384.455 2.619 0 40 GFAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 12158016 YAVZSTBCWLFCMR-YJBOKZPZSA-N 375.469 2.941 0 40 GFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4477022 DTHUQYUVEJYKKP-ZJTJJPTCSA-N 395.503 2.847 0 40 GFAB COc1ccc2c(=O)n(CC3CCN(Cc4nc(C(C)C)no4)CC3)cnc2c1 1849360727 LMRXNOVUVXTJAF-UHFFFAOYSA-N 397.479 2.824 0 40 GFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@@H]1COc2ccccc2O1 24942270 FZKWKXFHYYXKPC-CRAIPNDOSA-N 393.447 2.810 0 40 GFAB O=C(NCCc1cn2ccccc2n1)C1CCN(C(=O)Nc2ccccc2)CC1 25526276 HNRUBOFNQHDLEV-UHFFFAOYSA-N 391.475 2.937 0 40 GFAB O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1ccccc1F 244969061 GWSAPFWVRMIYMK-UHFFFAOYSA-N 384.396 2.626 0 40 GFAB O=C(Cc1ccc(F)cc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665764 RUAWVRXWGOQKHS-UHFFFAOYSA-N 397.797 2.688 0 40 GFAB C[C@H](Oc1cccc(F)c1)C(=O)NCCn1nc(-c2cccs2)ccc1=O 13605405 GLVOIDVLUXAICW-ZDUSSCGKSA-N 387.436 2.695 0 40 GFAB COc1ccc(OC[C@H](O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 16839746 CSWSKRMFVCALNN-QGZVFWFLSA-N 393.505 2.826 0 40 GFAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCCCC1 17170238 MUMOGTHDUNVWQX-GFCCVEGCSA-N 376.931 2.957 0 40 GFAB CCc1nc2sc([C@H](c3ccccc3F)N3CCN(C)CC3)c(O)n2n1 22577838 ABUBIVWGBMZGBD-HNNXBMFYSA-N 375.473 2.535 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCO4)CC2)c(C)o1 42382545 NXDFPMFWZKWZCQ-ZWKOTPCHSA-N 396.443 2.713 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)CSC3CCCC3)n2)cc1 49027122 KOIVDQKMCHYEIL-UHFFFAOYSA-N 377.466 2.949 0 40 GFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)on3)C2)n1 585340385 VFIGRXGVYFSSQD-INIZCTEOSA-N 379.420 2.827 0 40 GFAB CN1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)[C@H](c2ccccc2)C1 30030265 NUBWYZDHYDJBGI-NRFANRHFSA-N 393.487 2.708 0 40 GFAB O=C(Nc1nnc2ccccn12)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 40088962 HCMJMNKBCPDAQX-NSHDSACASA-N 389.337 2.740 0 40 GFAB Cn1cnnc1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 30584314 OKOQYIHZUBAPBX-VOTSOKGWSA-N 375.270 2.997 0 40 GFAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c1 101293089 PBIXOEQMIFQLHH-WBVHZDCISA-N 386.791 2.650 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 21938731 FRFCXDQUSCOKKS-UHFFFAOYSA-N 387.480 2.559 0 40 GFAB CN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc2ccccc2c1 22199389 CFRNBIVDWVVVGF-UHFFFAOYSA-N 397.500 2.948 0 40 GFAB CCOC(=O)COc1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1OCC 679158 CNXLSQIOPCSQEV-UVTDQMKNSA-N 385.372 2.965 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22786795 WJFYWKBCMAEBKR-VGVNIAASSA-N 396.535 2.776 0 40 GFAB Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 23730983 SAHDCDFZMPUIQL-UHFFFAOYSA-N 397.342 2.737 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2C1=O 24152128 DTWQMPUWHYZZNV-UHFFFAOYSA-N 398.488 2.779 0 40 GFAB CC(C)(O)CSCCNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 78823747 UIBVYGJLACRBKY-INIZCTEOSA-N 386.517 2.813 0 40 GFAB Cc1ccc(N2CCN(C(=O)CC3(Cn4cnnn4)CCCCC3)CC2)c(C)c1 79495314 ORNMBOHVBQSMMU-UHFFFAOYSA-N 396.539 2.979 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 55406913 JFIFVIMJRBVOFI-JKSUJKDBSA-N 387.553 2.779 0 40 GFAB CN(C)C(=O)COc1ccccc1C(=O)Nc1cccc(Cn2ccnc2)c1 25175360 SVHPSXMQBGUNTG-UHFFFAOYSA-N 378.432 2.651 0 40 GFAB COc1ccccc1C(=O)N1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 55708689 JTLOQNIFWJLIOK-KRWDZBQOSA-N 385.291 2.954 0 40 GFAB Cn1nc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c2ccccc2c1=O 6247834 GALXXSQWPOUZBQ-UHFFFAOYSA-N 398.850 2.676 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1C 6471593 TZQRCXQXBRVRIC-HNNXBMFYSA-N 376.478 2.502 0 40 GFAB CCOc1c(I)cc(C(=O)N2CCCC2)cc1OC 6892246 JZPFJUGDFGYQMK-UHFFFAOYSA-N 375.206 2.935 0 40 GFAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc2c(c1)OCO2 7641276 ATEMMVMEBLDCFC-UHFFFAOYSA-N 399.838 2.720 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1C 10968209 OACGEUBHTRQIJH-LBPRGKRZSA-N 392.477 2.703 0 40 GFAB CC[C@](C)(NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)C(=O)OC 95393352 RREPXXMEIFCNCY-DJJJIMSYSA-N 375.494 2.971 0 40 GFAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 46147544 GDUXBECIWOUMIQ-SJORKVTESA-N 377.554 2.896 0 40 GFAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CS4)cn2)n1 46309501 HLFMFHJYCYXKGW-UHFFFAOYSA-N 393.472 2.858 0 40 GFAB Cc1nn([C@@H](C)C(=O)N[C@H](Cn2cccn2)C(C)(C)C)cc1Br 2780762 SMHUGPANYKHYSI-GXTWGEPZSA-N 382.306 2.943 0 40 GFAB CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 2938249 PGMYAAMJFCXEPO-QGZVFWFLSA-N 380.897 2.756 0 40 GFAB Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCc4ccccc43)CC2)cc1C 57486204 YAVILGVLHAKENA-JOCHJYFZSA-N 391.515 2.865 0 40 GFAB CCCCc1noc([C@@H](C)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)n1 72293179 MKTWHISHXVPAPQ-MRXNPFEDSA-N 393.576 2.889 0 40 GFAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1 48288892 AIINKCQZJISZLU-MOPGFXCFSA-N 376.472 2.777 0 40 GFAB Cc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2cccs2)n1 48289775 DUJMFPPAEUERBL-SFHVURJKSA-N 382.489 2.725 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22539366 SMGCUNOTPMFIHC-ZIAGYGMSSA-N 394.468 2.687 0 40 GFAB CN(C)C(=O)COc1ccc(Sc2ccc(OCC(=O)N(C)C)cc2)cc1 3325683 DVRTYPSTTQCUTG-UHFFFAOYSA-N 388.489 2.772 0 40 GFAB COc1ccc(NC(=O)CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 12892823 FFMBNWICGQXMOK-NRFANRHFSA-N 393.487 2.683 0 40 GFAB Cc1ccc2nc3c(c(C(=O)O[C@@H](C)C(=O)NC(=O)NC4CC4)c2c1)CCCC3 12938305 KCZDWOWXYAWBQQ-ZDUSSCGKSA-N 395.459 2.956 0 40 GFAB COCc1nc([C@H]2COCCN2C(=O)Cc2c(Cl)cccc2Cl)no1 96001026 AUEUNRLSWLCDKU-CYBMUJFWSA-N 386.235 2.665 0 40 GFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc2c(c1)CCC2 5428380 DEFJBSDUJCNVPM-UHFFFAOYSA-N 385.427 2.710 0 40 GFAB CCOc1ccc(C(=O)[C@H](C)OC(=O)Cn2cnc3ccccc3c2=O)cc1 6549098 UYIFSIAUMXRPPD-AWEZNQCLSA-N 380.400 2.610 0 40 GFAB COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)cc2C1=O 14475042 WRIHNMRPDFFQBG-UHFFFAOYSA-N 395.415 2.530 0 40 GFAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408596791 SFPDCCFHBYFOTE-VXGBXAGGSA-N 376.906 2.710 0 40 GFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccccc2C)c(=O)[nH]c1=O 9446315 YWJNQARVRGAGLI-UHFFFAOYSA-N 396.447 2.667 0 40 GFAB O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)NC(=O)CO2 15670768 PHLZDYXWVNEAHH-UHFFFAOYSA-N 377.194 2.798 0 40 GFAB COC(=O)c1ccc(COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)o1 7509638 FIXOQEXBHFWJAC-ZDUSSCGKSA-N 380.784 2.563 0 40 GFAB CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 7881194 NUCUFPZYJPAISQ-UHFFFAOYSA-N 388.917 2.671 0 40 GFAB Cc1cc(Cl)ccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 8007878 VUUIJVCZKDPXDZ-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB C[C@@H](NC(=O)CNC(=O)COc1ccccc1)c1ccc(Br)cc1 8086546 UMRAYTARABUPRE-CYBMUJFWSA-N 391.265 2.822 0 40 GFAB COc1ccc(Cc2n[nH]c(NC(=O)c3cc(C)nc4onc(C)c34)n2)cc1 95478933 UHFOOONTBDIXIO-UHFFFAOYSA-N 378.392 2.809 0 40 GFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2cccs2)cc1 8745856 LVZUSCVNCUPUQN-UHFFFAOYSA-N 380.535 2.825 0 40 GFAB CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 95698996 DSCBSBPYDCIRPP-HNNXBMFYSA-N 389.452 2.583 0 40 GFAB CCc1ccc(-n2c(N3CCC(C(N)=O)CC3)nc3ccccc3c2=O)cc1 4176328 GZWWQCKUPWGTBP-UHFFFAOYSA-N 376.460 2.650 0 40 GFAB CCOC[C@@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218113072 PMPUVYPRDGMXCM-HSALFYBXSA-N 375.490 2.677 0 40 GFAB COC(=O)C(=Cc1ccc(OCC(=O)Nc2cccc(C)c2)cc1)C(=O)OC 409046661 LCJIVBOBQHYCHO-UHFFFAOYSA-N 383.400 2.742 0 40 GFAB COc1ccccc1-n1cnc2cc(C(=O)NCc3ccccn3)ccc2c1=O 31817913 IZBFPLBGOLZVNY-UHFFFAOYSA-N 386.411 2.719 0 40 GFAB COc1ccc(C2=NN(C(=O)c3ccc(O)cc3)[C@](O)(C(F)(F)F)C2)cc1 32100928 YKUANONBBGSORL-QGZVFWFLSA-N 380.322 2.902 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCCCCC2)cc1 39986087 HKYHSJJYQPNHCI-UHFFFAOYSA-N 382.526 2.935 0 40 GFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 225785089 KHYKJAGXWMEGEX-NBMJBFSESA-N 388.895 2.897 0 40 GFAB O=C(Cc1noc2ccccc12)NCCNc1ccc(Nc2cccnc2)nn1 49353448 QZAPDYMCYKYMLF-UHFFFAOYSA-N 389.419 2.527 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 192680355 VBTBAWHTUBVITG-UHFFFAOYSA-N 395.390 2.604 0 40 GFAB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220089566 QGKBZRUISJKAAF-CQSZACIVSA-N 396.459 2.868 0 40 GFAB COC(=O)c1cc(S(=O)(=O)NCCCc2ccccc2OC)ccc1C 225856021 WQXINTYLXPGZCE-UHFFFAOYSA-N 377.462 2.701 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2C)cc1OC 224805621 DUAGHKWSUQFCBX-UHFFFAOYSA-N 399.852 2.946 0 40 GFAB CCS(=O)(=O)[C@@](Br)(I)C(=O)C(C)(C)C 96518574 QASBWTSXDDGQMY-QMMMGPOBSA-N 397.072 2.520 0 40 GFAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 96036763 WWJBVHHCVMKHOR-KRWDZBQOSA-N 388.537 2.607 0 40 GFAB COc1ccc(CN2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96050255 OJXLQLMMUMNIBL-QFIPXVFZSA-N 383.467 2.757 0 40 GFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccncc1)CC2 96037023 YFVLNTBCRTZMPV-UHFFFAOYSA-N 391.523 2.505 0 40 GFAB CCOC(=O)N1C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)O)C(=O)C12CCCC2 95079970 WUJHMKVDOLBKIE-HNNXBMFYSA-N 396.390 2.704 0 40 GFAB COc1cc([C@H]2C3=CNNC3=Nc3c2c(=O)oc2ccccc32)cc(OC)c1O 524731554 BNRWVRXTIDANIY-INIZCTEOSA-N 391.383 2.683 0 40 GFAB biogenic CCN(CC)C(=O)CN1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257220097 DJMQBEDMKAWMQO-QGZVFWFLSA-N 387.459 2.601 0 40 GFAB COCC(=O)N1CCC(Cc2nc(C)cc(-c3ccccc3C(=O)O)n2)CC1 257307590 SZJKEGKQRGJJLC-UHFFFAOYSA-N 383.448 2.578 0 40 GFAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 64987612 HXOKWWKTUDTDJP-UHFFFAOYSA-N 382.395 2.547 0 40 GFAB CC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 585080442 RRVHYBDHPDEKSQ-NSHDSACASA-N 384.807 2.694 0 40 GFAB CC(C)Cc1ncc(-c2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)s1 257302858 SESGZRSYWWUGDT-ZDUSSCGKSA-N 380.539 2.938 0 40 GFAB CNC(=O)c1sc2nc([C@]3(C)CCCN(c4cnccn4)C3)ccc2c1N 257253169 JXUZJNMJOGZHDE-LJQANCHMSA-N 382.493 2.586 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 260913016 ZLDLXDBYCPHAID-IEZWGBDMSA-N 376.522 2.701 0 40 GFAB COc1cccc(S(=O)(=O)N[C@H](CC(=O)O)c2cccc(C)c2C)c1F 656157906 VPFBKXIHIKQOHE-CQSZACIVSA-N 381.425 2.945 0 40 GFAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2[C@H]2CCN(CC(=O)O)C2=O)c1 662212405 WRWOOBVVJPHHBF-RZUBCFFCSA-N 394.471 2.911 0 40 GFAB NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 666635545 SXKGPYKJGJMZDR-CQSZACIVSA-N 399.472 2.541 0 40 GFAB O=C(NCCc1nc(-c2cccs2)c[nH]1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 90606945 PORYGZANBWVQTR-CYBMUJFWSA-N 398.463 2.989 0 40 GFAB CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)CN1CCN(C2CC2)C1=O 618784798 QZCLLUZMIRCGGG-KRWDZBQOSA-N 391.899 2.919 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 585183607 MNLYPVVGMZKWMC-IBGZPJMESA-N 397.494 2.691 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)c1C 29329182 AYYOQWFUAOFQBC-UHFFFAOYSA-N 389.496 2.673 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](Oc4nccs4)C3)CC2=O)cc1C 585320355 XLSHDMXFFMMGGG-NVXWUHKLSA-N 385.489 2.793 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCSCc1ccsc1 101015937 NCSAHPLLTFVQKH-GASCZTMLSA-N 380.535 2.663 0 40 GFAB COCCN(C(=O)c1cccnc1C)c1nc2c(s1)CCc1c-2cnn1C 12146089 MDRNYGOLYLBQLL-UHFFFAOYSA-N 383.477 2.639 0 40 GFAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 14607309 LRDSDHOCQGMWNY-OAHLLOKOSA-N 377.404 2.866 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)cc1 16691873 BHOHOHXLEHWXAJ-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1ccccc1CN1CCC[C@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 19570282 SOJCDNKLNDMMOY-INIZCTEOSA-N 399.491 2.660 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1OC 19937340 ZDXXYZQIRWKHKT-CYBMUJFWSA-N 379.416 2.945 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 8312975 HMQSWYCGZHVJTD-ONNFQVAWSA-N 382.416 2.577 0 40 GFAB Cc1n(C)cc[n+]1Cc1ccc(C(=O)Oc2cccc(N3CCOCC3)c2)cc1 2380473 JUTSEOPYECORBY-UHFFFAOYSA-N 392.479 2.725 0 40 GFAB COc1ccc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1O 19559713 GCDWOKJOLYLSEN-HNNXBMFYSA-N 376.478 2.579 0 40 GFAB O=C(c1ccc2nccnc2c1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888922159 FWCXRJNXAAGQMH-VFNWGFHPSA-N 393.422 2.880 0 40 GFAB O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc(N2CCCC2=O)cc1 25342759 PBJMHBOEUFSASC-UHFFFAOYSA-N 380.322 2.600 0 40 GFAB CCOc1ccnc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 9571961 YQFNCHYINYAYOY-UHFFFAOYSA-N 380.231 2.849 0 40 GFAB Cc1c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CC(C)C 10233656 JLRQHWLBJVCYHG-UHFFFAOYSA-N 393.491 2.665 0 40 GFAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(F)c(F)c1 16976595 TZVMXOQVLJJCJB-UHFFFAOYSA-N 392.377 2.907 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)c1 211105878 XESWRJFUQUZRTR-GOSISDBHSA-N 397.493 2.761 0 40 GFAB Cc1ccc(-c2nc(COC(=O)c3ccc(S(N)(=O)=O)cc3)co2)c(C)c1 40057204 HXQRLAIYYSUWRV-UHFFFAOYSA-N 386.429 2.963 0 40 GFAB CN(C(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)c1ccccc1 40120055 KKEBPYKWGSEWHL-UHFFFAOYSA-N 389.858 2.900 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCc1cc(=O)n2cccc(C)c2n1 21599926 ZBUGUDIOVFFJKM-HNNXBMFYSA-N 389.411 2.561 0 40 GFAB COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cn1 32958565 INAASJXKQYESAU-MRXNPFEDSA-N 397.884 2.685 0 40 GFAB C[C@H](NS(=O)(=O)c1cccc(Br)c1)c1ccc(NC(N)=O)cc1 32927579 PGPVRBPLHAVGKQ-JTQLQIEISA-N 398.282 2.979 0 40 GFAB O=C(NCCc1ccccn1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 21899869 IJKZLPJYRLCTRX-UHFFFAOYSA-N 399.447 2.994 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1OC 665676 JUXZVQDJOOUZPG-UHFFFAOYSA-N 392.477 2.890 0 40 GFAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(OC)c1OC 1006044 LOUFXPCBZUKAAX-RIYZIHGNSA-N 395.433 2.700 0 40 GFAB CC(C)[C@@H]1C(=O)NCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 78453130 VEEFHQUEOZSUHL-GOSISDBHSA-N 375.856 2.911 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)cc12 55395313 MHTZOGHZTSCMFC-QGZVFWFLSA-N 383.427 2.809 0 40 GFAB O=C(c1cccc(NCC(=O)N2CCCc3ccccc32)c1)N1CCOCC1 55861873 VAPJAQHGICZZAA-UHFFFAOYSA-N 379.460 2.550 0 40 GFAB COc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(OC)cc1Cl 6309954 ZNNJVFWMIBPOHD-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB CCCCN(C(=O)/C=C/c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7724664 KIEQEAQOHPGIRD-VAWYXSNFSA-N 384.480 2.621 0 40 GFAB CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1C(=O)N(C)C 107542651 XIPCNBUYHPAWCT-KRWDZBQOSA-N 384.480 2.600 0 40 GFAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CC=C(c2ccc(O)cc2)CC1 57842113 DWMVIEVZNACRDG-UHFFFAOYSA-N 398.484 2.862 0 40 GFAB CCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 8476188 FNOZHIGUTGHUHZ-UHFFFAOYSA-N 376.478 2.704 0 40 GFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(NS(=O)(=O)CC)c1 12536194 PRZDPEHSFIPHII-UHFFFAOYSA-N 390.461 2.839 0 40 GFAB CC[C@@](C)(NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)C(=O)OC 95393353 RREPXXMEIFCNCY-ORAYPTAESA-N 375.494 2.971 0 40 GFAB COc1cc(CC(=O)N2CCC(N3CCCCC3)CC2)cc(OC)c1OC 58200916 XKHJSGZBVBURPR-UHFFFAOYSA-N 376.497 2.732 0 40 GFAB COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 20459879 VDYLBDUPUPXPIJ-CYBMUJFWSA-N 392.477 2.591 0 40 GFAB CCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 113933788 JTHGUHXHVGELMD-UHFFFAOYSA-N 376.478 2.725 0 40 GFAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Br)ccc1F 60321400 PLYPRVSGDHDJBN-UHFFFAOYSA-N 376.251 2.533 0 40 GFAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCCN(c2cnccn2)C1 29956438 KINNNVCCTVZNLL-VQIMIIECSA-N 382.464 2.890 0 40 GFAB COC(=O)c1sccc1NC(=O)CN(C)CC(=O)Nc1ccccc1Cl 12785850 IORICCOXNVFBHI-UHFFFAOYSA-N 395.868 2.697 0 40 GFAB Cc1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3)n2C)c(C)s1 95943772 RQRWOPDZFWSFGH-UHFFFAOYSA-N 376.507 2.681 0 40 GFAB Oc1ccccc1-c1nc(Cn2nnc(-c3ccc(Br)cc3)n2)no1 48344015 GJTUFUBTBRXRGF-UHFFFAOYSA-N 399.208 2.907 0 40 GFAB CCOc1ccc(NC(=O)CN(C)C(=O)c2c(C)noc2C)cc1OCC 12851486 RYVCISGNJKEBOP-UHFFFAOYSA-N 375.425 2.800 0 40 GFAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)NCc1ccc2c(c1)OCO2 3518176 OIMBKAANHVJVPD-NSHDSACASA-N 393.342 2.878 0 40 GFAB COc1cccc(NC(=O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 27434942 HYCRVYLAKYRNFH-UHFFFAOYSA-N 385.439 2.667 0 40 GFAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(/C=C/C(=O)O)cc2)C1=O 12992849 MWWBSXFVPUCTEW-BMGYJQCNSA-N 380.400 2.927 0 40 GFAB COc1cccc(N2C[C@H](C(=O)NCc3nc4ccccc4s3)CC2=O)c1 13015408 DEKLYVZKINKZQO-CYBMUJFWSA-N 381.457 2.974 0 40 GFAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 4029325 GHMQBBFTIOVPQJ-WBMJQRKESA-N 375.421 2.738 0 40 GFAB biogenic Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95449624 XADIRNBALBQSRL-CJNGLKHVSA-N 382.913 2.812 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cn1cnc2sccc2c1=O 14069604 RAHYGCKROBWJQX-UHFFFAOYSA-N 399.432 2.540 0 40 GFAB COc1ccc([C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)N(C)C)cc1 14237956 SQOBMVYJXFXTSA-NRFANRHFSA-N 395.503 2.784 0 40 GFAB CCN(CC)CCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1OC 4691032 KEEPPHLZPUMOJX-INIZCTEOSA-N 393.528 2.907 0 40 GFAB O=C(OC1CCCCC1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654502 HXGZDGLTKDXNIR-CQSZACIVSA-N 376.478 2.723 0 40 GFAB Cc1ccc(C2=NN(C(=O)CSc3nnnn3C)[C@@H](c3ccco3)C2)cc1 4807760 FETKDWDQMIOLJT-OAHLLOKOSA-N 382.449 2.582 0 40 GFAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1 71823403 JFUWFOXPLAYQLI-NTDBWNAOSA-N 389.565 2.684 0 40 GFAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC[C@@H]1CCCO1 8327064 YFFHETZNAAFILP-ZFWWWQNUSA-N 383.477 2.591 0 40 GFAB C[C@@H](SCc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 8937186 GQIQJBWZGUPZKV-MFKMUULPSA-N 381.441 2.630 0 40 GFAB COC(=O)[C@@](NC(C)=O)(Nc1nc2c(C)c(C)ccc2s1)C(F)(F)F 9089978 DDUYGFKBYKLCRP-CQSZACIVSA-N 375.372 2.893 0 40 GFAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1 72273199 ATGZVPWJUGFAQT-UHFFFAOYSA-N 382.401 2.723 0 40 GFAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C)nc2)cc1OCC 72330254 CSFHZOQXLWFPEV-UHFFFAOYSA-N 386.448 2.703 0 40 GFAB Cc1cc(C(=O)N2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)no1 306141279 VQMBJKFQKXYQGV-IBGZPJMESA-N 389.415 2.906 0 40 GFAB CNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 20889285 DJVSGIWTYZBDLT-UHFFFAOYSA-N 395.278 2.560 0 40 GFAB CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 23434512 SRNNLHFJIHABQR-QGZVFWFLSA-N 386.473 2.797 0 40 GFAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12406385 XINPLTKQOKCZLO-BLDNINTCSA-N 383.828 2.675 0 40 GFAB biogenic O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)Nc1ccc(Cl)cc1Cl 408655032 KSVXGXKXNQXGLT-NYZVLYBASA-N 384.215 2.673 0 40 GFAB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(Cc2ccco2)CC1 72335857 OZBFCZOHSNIDPT-UHFFFAOYSA-N 398.488 2.915 0 40 GFAB Cc1cccc2cc3c(nc12)OCCN(Cc1nnnn1Cc1ccccc1)C3 72392263 PMEVMHPOUKMKQJ-UHFFFAOYSA-N 386.459 2.973 0 40 GFAB CNc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)nc2c1CN(C(C)=O)CC2 72372198 OVTHIRXZCQVNPX-SFHVURJKSA-N 385.512 2.667 0 40 GFAB COc1cccc(O[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)c1 38772104 ZWUCYTSUTIRUCV-CYBMUJFWSA-N 375.421 2.805 0 40 GFAB CC(C)c1ccc(NC(=O)Cn2nc3c(N4CCCCC4)nccn3c2=O)cc1 49399762 FSYNEOMMVKSACZ-UHFFFAOYSA-N 394.479 2.643 0 40 GFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1C 223822367 PHDGJCOIPXCYDD-UHFFFAOYSA-N 388.445 2.709 0 40 GFAB NC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 199405415 DVSSTVANVDPDDW-UHFFFAOYSA-N 395.459 2.922 0 40 GFAB COc1cc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc(OC)c1O 95480015 IQGSVLCBKDGWOV-HNNXBMFYSA-N 379.438 2.904 0 40 GFAB CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(Br)cc1 96519695 FRDITKNTPIXHPF-RKDXNWHRSA-N 392.496 2.815 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)O2 251257973 WCWYCTAAZYDYPP-ACJLOTCBSA-N 392.452 2.539 0 40 GFAB O=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 633145997 VQDJMKUSSXWTDK-GYFISPQKSA-N 393.487 2.964 0 40 GFAB O=S(=O)(NC[C@H](c1ccsc1)n1cccn1)c1ccc(-n2cccn2)cc1 575612922 DJQUJOPDYLGCJL-GOSISDBHSA-N 399.501 2.698 0 40 GFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(-n2ccnc2)nc1 40070200 XPIAEIKKCQHSJZ-UHFFFAOYSA-N 390.230 2.943 0 40 GFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(C)cc2)N2CCCN32)c1 100166072 XYGKUGZWLMVTJR-AQNXPRMDSA-N 377.444 2.539 0 40 GFAB COc1ccnc(C[S@](=O)[C@@H]2Nc3ccc(OC(F)F)cc3N2)c1OC 5115811 MTYWFNZUFLIARL-AKJBCIBTSA-N 385.392 2.770 0 40 GFAB in-vitro Cc1ccc(C)c(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 5251826 XXBVETAOTASUIH-UHFFFAOYSA-N 399.454 2.959 0 40 GFAB Cc1ccc(-c2csc(N3CCN(S(=O)(=O)N4CCCC4)CC3)n2)cc1 12462026 YYZJAAMGHMRSFS-UHFFFAOYSA-N 392.550 2.581 0 40 GFAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2C(=O)OC)o1 13684617 UFPLSCRKBLXWAO-MRXNPFEDSA-N 386.429 2.699 0 40 GFAB COc1ccccc1CN1CC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 19021849 UTDKEJCSVPMTBZ-GOSISDBHSA-N 393.491 2.566 0 40 GFAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccc3C)C2)c2cccnc21 19237164 SQCWZSFLMHRQCZ-IBGZPJMESA-N 377.492 2.865 0 40 GFAB Cc1csc2c([C@@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)nc(C)n12 19240450 YAIOBUOKIZYHGS-CQSZACIVSA-N 384.509 2.888 0 40 GFAB CC(C)n1nnc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)n1 19455016 OGTDJMTXLTURFL-UHFFFAOYSA-N 385.468 2.887 0 40 GFAB COCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(OC)cc1 19694475 ARQJAHPNPDRHCO-GOSISDBHSA-N 384.480 2.918 0 40 GFAB O=C(CN1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1 19767289 AEADSZSQHJQQKC-MRXNPFEDSA-N 399.520 2.592 0 40 GFAB Cc1ccc(C)c(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19824004 KKAYZQHYCUIOJN-UHFFFAOYSA-N 381.476 2.788 0 40 GFAB CCN(CC)CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257263473 LQBIJHJVOYWWHS-VIRUWPMXSA-N 398.551 2.823 0 40 GFAB COc1ccc(S(=O)(=O)N2c3cccc4cccc(c34)S2(=O)=O)cc1 2474017 FROICUUCZXTIHF-UHFFFAOYSA-N 375.427 2.746 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888878932 BXUSFMZHXQGMSC-YCRPNKLZSA-N 379.460 2.895 0 40 GFAB Cc1nc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)cc(-n2cccn2)n1 1888931032 VDTIJKLRBRSWFD-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB CN(c1ccccn1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1889138806 KXSBCDKUCGVZKZ-UHFFFAOYSA-N 377.374 2.643 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1F 5099513 IPWXKTTXYPNHQY-UHFFFAOYSA-N 378.425 2.934 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(O)n2)cc1 16777153 NRLDPSMKZFEKMO-UHFFFAOYSA-N 382.445 2.907 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 16847841 HUOZBOJNMZMCNJ-MRXNPFEDSA-N 385.445 2.857 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775966269 WBYXZEKTUZOILP-OAHLLOKOSA-N 389.429 2.553 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3cc(C)cnc3=S)CC2)c(C)c1 40122881 YQZIWBBNUOIOFA-UHFFFAOYSA-N 392.550 2.502 0 40 GFAB CCN1CCc2nc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)sc2C1 21296526 ZHYFJVNCLGMBNZ-ZDUSSCGKSA-N 388.493 2.775 0 40 GFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cc1NS(C)(=O)=O 32771530 FRQSPYSTJZONCV-NSHDSACASA-N 381.429 2.645 0 40 GFAB COc1ccc(-c2csc(NC(=O)CCNC(=O)[C@@H]3C[C@H]3C)n2)cc1OC 32914308 CGEZHHQKOLZDLS-DGCLKSJQSA-N 389.477 2.928 0 40 GFAB C[C@H](C(=O)Nc1nccs1)N1CCN(CCSc2ccccc2)CC1 52805173 PKRJYWALJLYNLC-OAHLLOKOSA-N 376.551 2.880 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2Cc1ccccc1Cl 628198 LVJXHIJKHHQTNU-UHFFFAOYSA-N 387.871 2.505 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCc1nc(-c2ccncc2)no1 23039165 CREZBYWPLFYYRB-UHFFFAOYSA-N 399.838 2.815 0 40 GFAB COc1ccc([C@@H](CNC(=O)CN2CCOCC2)c2c[nH]c3ccccc23)cc1 23695968 UDVALQTWUQIHBQ-HXUWFJFHSA-N 393.487 2.757 0 40 GFAB CCOc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 23732347 BPXFTDLPNYAVJS-GOSISDBHSA-N 390.505 2.715 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1379209 NSZAKPBEZNMGBL-INIZCTEOSA-N 378.425 2.626 0 40 GFAB Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccs1 4861382 VVILRINQMSGMIL-UHFFFAOYSA-N 387.505 2.734 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2ccccc2OCc2c(C)noc2C)no1 5367931 GUFUGCYUBQGJKX-UHFFFAOYSA-N 385.376 2.962 0 40 GFAB COc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 5518873 NMGOVUSWQPVCMX-HAGHYFMRSA-N 390.439 2.530 0 40 GFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 6108515 RBXAVJATNJJPDW-QHCPKHFHSA-N 389.455 2.532 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107974 MMRUAVGGLLPJJZ-NHYWBVRUSA-N 384.835 2.969 0 40 GFAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7130433 NRQAQQVPSQGCGR-IUCAKERBSA-N 380.495 2.859 0 40 GFAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccc(C)c(F)c2)CC1 7191647 LMPXXBVUSNBLLY-UHFFFAOYSA-N 386.423 2.648 0 40 GFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc2c(c1)OCO2 7392264 GYZSIVVCFFZCAT-UHFFFAOYSA-N 387.189 2.771 0 40 GFAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(C)(=O)=O)c2)c(OC)c1 7987258 FMQFWSPJTFXMBK-LBPRGKRZSA-N 392.429 2.536 0 40 GFAB Cc1ccccc1-c1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)o1 8211817 DMXHPSRWFYYAOJ-UHFFFAOYSA-N 391.474 2.864 0 40 GFAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)NC(C)C 8475855 RHNIYSSQCQHSGG-AWEZNQCLSA-N 376.478 2.873 0 40 GFAB Cc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)NCCc1ccccc1 8923902 KYBJSFQCRPYDKZ-UHFFFAOYSA-N 385.489 2.792 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 9690100 QDQKRXGPUZFSLB-GFCCVEGCSA-N 384.807 2.600 0 40 GFAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 10111005 WYDWMTWGEMURJZ-UHFFFAOYSA-N 377.462 2.768 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(-n3cccn3)cc2)C1=O 10392296 YJGCUKNVDHKZLR-OAQYLSRUSA-N 390.399 2.568 0 40 GFAB CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 11865553 BMUZWICCRQHOTG-DYZYQPBXSA-N 375.421 2.664 0 40 GFAB biogenic COC(=O)Cn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12062132 DOSOXZOEFIVMST-CQSZACIVSA-N 379.416 2.738 0 40 GFAB CCOc1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 12292377 CBAHOWOWCSFXRP-LJQANCHMSA-N 385.460 2.831 0 40 GFAB CCn1cc(C(=O)Nc2cccc(NC(C)=O)c2)c(=O)c2cc3c(cc21)OCO3 12391186 CHOUKAKGGIAIAZ-UHFFFAOYSA-N 393.399 2.961 0 40 GFAB COc1ccc(COC[C@@H](O)Cn2c([C@H](C)O)nc3ccccc32)cc1OC 12648042 YOEJNICPXZCEMD-HOCLYGCPSA-N 386.448 2.685 0 40 GFAB CC[C@@H]1CCc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1 12767596 GPWRKMFZEVBAKD-CYBMUJFWSA-N 392.546 2.883 0 40 GFAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1 12809793 NXOQECRLKRUERW-YFPIXMDGSA-N 391.431 2.672 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)s1 12906176 WOMSBECOMIYZRN-ZDUSSCGKSA-N 398.554 2.805 0 40 GFAB C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1cccc(F)c1 12944233 SSNXZSKZAYYUPV-KBXCAEBGSA-N 376.453 2.856 0 40 GFAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)C1CCCCC1 13059492 ZWHRXNDGFWPWLO-QFIPXVFZSA-N 383.492 2.733 0 40 GFAB C[C@H]1CCc2sc3ncn4nc(C(=O)NCc5ccncc5)nc4c3c2C1 13207204 KKPIFXRNZCXISU-NSHDSACASA-N 378.461 2.789 0 40 GFAB Cc1nnc(SCC(=O)N2CCC[C@H]([C@@H]3CC(=O)c4ccccc4O3)C2)o1 13265319 ZVUGLZBLEMMZDM-GUYCJALGSA-N 387.461 2.743 0 40 GFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580857 NTCGUXNQEMBOHF-KBPBESRZSA-N 386.489 2.540 0 40 GFAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)N1CCOCC1 14184751 YTTQOOICQQAWST-SECBINFHSA-N 393.075 2.838 0 40 GFAB Cc1cccc(C)c1NC(=S)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 16314360 TYIVLUGKCARJDZ-HZPDHXFCSA-N 382.551 2.668 0 40 GFAB CSCC[C@H](NC(=O)CNC(=O)c1cccs1)c1nc2ccccc2[nH]1 16645890 MWXZDJOBTDKZML-AWEZNQCLSA-N 388.518 2.965 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2nc3[nH]c(=O)c(C(C)(C)C)nn3c2=S)c1 16778159 WRJQYBKGNCASRN-UHFFFAOYSA-N 386.481 2.502 0 40 GFAB Cc1cnc(-c2nnc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)o2)cn1 19239225 QDAUVCXMEDOQKX-UHFFFAOYSA-N 381.411 2.923 0 40 GFAB c1cncc(Oc2nc(N3CCCC3)nc3c2CCN(C[C@@H]2CCOC2)C3)c1 19339875 XEQZSDFANIGZFY-INIZCTEOSA-N 381.480 2.659 0 40 GFAB O=C(CCn1cccn1)NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21 19345091 LJDHAMGQWINAOK-UHFFFAOYSA-N 396.344 2.562 0 40 GFAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19373685 HPQXECGUGBFLGQ-ZDUSSCGKSA-N 377.447 2.560 0 40 GFAB COc1ccc(CN(C)C(=O)[C@H](C)N2C(=O)[C@@H](C)Oc3ccccc32)cc1OC 19462009 BZVIKINCRUTFQH-LSDHHAIUSA-N 398.459 2.865 0 40 GFAB C[C@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2cccc(-c3nncn3C)c2)C1=O 19462068 XZZCOOAIFUGENU-ZIAGYGMSSA-N 391.431 2.623 0 40 GFAB COc1cc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)ccc1OCCO 19550241 WVFOOJWYUUJCGK-VXKWHMMOSA-N 396.531 2.958 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)cc1OC 19560413 HESYNWOACNEXFO-OAHLLOKOSA-N 380.448 2.924 0 40 GFAB COc1cc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1 19595082 GGOXEPXUGQRIAV-QGZVFWFLSA-N 392.459 2.839 0 40 GFAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 20459745 CDJCLMCNRKFODS-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc(CC(N)=O)cs1 21040361 OMYPUFDVNMDKJT-UHFFFAOYSA-N 383.477 2.545 0 40 GFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 21625830 MJBHMCFFOWSNIK-RNODOKPDSA-N 389.521 2.770 0 40 GFAB CCOCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 21900122 XONRGXGMDSPDSN-UHFFFAOYSA-N 383.370 2.716 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22271947 PSTAWDKWSBKBOB-CQSZACIVSA-N 394.468 2.641 0 40 GFAB Cc1ccc(NC(=O)C[C@H]2N=C(NC(=N)Nc3ccccc3)N=C2O)c(C)c1 22607408 YREZKVCYESJWLS-MRXNPFEDSA-N 378.436 2.963 0 40 GFAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22788422 OJMOSZFVTMGEMY-YOEHRIQHSA-N 385.430 2.829 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Oc1ccc(-c2noc(C)n2)cc1 23402305 IMUSMFQDCULPQY-UHFFFAOYSA-N 380.403 2.661 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 23695875 IDJPBYFPSSOSEW-UHFFFAOYSA-N 386.473 2.581 0 40 GFAB CC(C)c1nnc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)s1 24750806 VQXNKUVGUQGRGQ-PKNBQFBNSA-N 380.495 2.580 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1ccccc1 25768692 IUPLJVSPMRVIGS-UHFFFAOYSA-N 380.416 2.548 0 40 GFAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(S(N)(=O)=O)c3)s2)o1 31547133 DMVAKAWWCAASMH-UHFFFAOYSA-N 377.447 2.920 0 40 GFAB COc1ccc([C@H](O)CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 31571068 XPAZACZXRGGCJN-LJQANCHMSA-N 395.459 2.903 0 40 GFAB Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1NS(C)(=O)=O 32731192 LUZCYCPJJREEPN-GOSISDBHSA-N 393.484 2.538 0 40 GFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OC(F)(F)O2 32747619 QJLQKOWLSOMHRJ-UHFFFAOYSA-N 395.362 2.591 0 40 GFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 32753519 OAUSOADWPGTNTR-UHFFFAOYSA-N 398.369 2.929 0 40 GFAB Cc1cc(S(=O)(=O)N(CC(=O)O)C2CCCC2)ccc1Br 37591456 GHYAAEOQDYDTSF-UHFFFAOYSA-N 376.272 2.775 0 40 GFAB CCOC(=O)c1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 40448003 FWXJEPAOOJMRIB-UHFFFAOYSA-N 378.469 2.795 0 40 GFAB O=C1[C@@H]2OC[C@@H](O2)[C@@H]2[C@@H]1[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc(F)cc1 49946763 YANFNRSMJXESCV-KQKBASFTSA-N 391.398 2.975 0 40 GFAB biogenic,in-vitro CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 56320869 QZHXBNNLWWGLPH-LJQANCHMSA-N 386.492 2.908 0 40 GFAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2c(O)cc(F)cc2F)C1 58223263 XVBNVTUTYGGMCQ-LBPRGKRZSA-N 375.375 2.865 0 40 GFAB COC(=O)c1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 60512893 IJCHLTAQLFUOQE-UHFFFAOYSA-N 387.867 2.887 0 40 GFAB CC(C)(O)c1cc(CC2(NCc3ccc(OC(F)(F)F)cc3)COC2)no1 67897899 QANSXHMBKKYFEK-UHFFFAOYSA-N 386.370 2.902 0 40 GFAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)c2cc(C)nc3c2cnn3C2CCCC2)CC1 71285091 PAWNPRSFLXVMJX-UHFFFAOYSA-N 385.468 2.769 0 40 GFAB CCOC(=O)C[C@@H](C1=Cc2ccccc2O[C@@H]1C)c1oc(CO)cc(=O)c1O 72324860 RFRUVWQTFZXPFT-WBMJQRKESA-N 386.400 2.739 0 40 GFAB biogenic C[C@H]1CCCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 72341145 CFECCYGMHUMAFX-MGPUTAFESA-N 393.491 2.630 0 40 GFAB Cc1cc(C(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)c(C)o1 77192030 MURQFQLYWWLJPS-AWEZNQCLSA-N 375.450 2.669 0 40 GFAB C[C@H](C(=O)Nc1ccccc1N1CCCCCC1)S(=O)(=O)C1CCOCC1 89574003 SNQUUOLMZFTJQH-MRXNPFEDSA-N 394.537 2.988 0 40 GFAB O=C(c1cnn2c1OCCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 90583834 GCKDXWDKNWLKCC-UHFFFAOYSA-N 380.370 2.647 0 40 GFAB O=C(Nc1ncn(-c2ccccn2)n1)C1CCN(c2ccc(Cl)cn2)CC1 95457299 GRLAEVMGUNQBRP-UHFFFAOYSA-N 383.843 2.566 0 40 GFAB CC(C)(C)OC(=O)[C@](C)(O)CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1 95943565 KJRBPKRQPDPAGY-HXUWFJFHSA-N 396.915 2.627 0 40 GFAB COc1ncccc1C(=O)N1CCC(Oc2ncccc2Br)CC1 96096935 SWHMZMHPWBVWRR-UHFFFAOYSA-N 392.253 2.931 0 40 GFAB CC(C)n1nnc(-c2ccc(C(=O)NCCn3cnc4ccccc43)cc2)n1 96232325 APUDPXCSILXNGQ-UHFFFAOYSA-N 375.436 2.701 0 40 GFAB COC(=O)c1cc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc(C(=O)OC)c1 100758262 VFSJTKVAJKMBHW-SFTDATJTSA-N 387.432 2.984 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 111882660 BOIJHDHEKLBEQH-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB N[C@@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218650704 GPGFIWGTIGBEPS-YCPHGPKFSA-N 386.256 2.715 0 40 GFAB CC1(C)C[C@H](NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2O1 219018225 AMSLVJUMBKZMIF-UXLLHSPISA-N 382.460 2.746 0 40 GFAB Cc1ccccc1CNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223297648 ZORHNVIMTHQPMB-UHFFFAOYSA-N 380.897 2.726 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)s1 223302968 FOXZLQIQXLTIIU-UHFFFAOYSA-N 394.522 2.530 0 40 GFAB CCN(CC)C(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224771721 MASVLIAJJHXBEJ-UHFFFAOYSA-N 390.505 2.998 0 40 GFAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(OCC2CCOCC2)nc1 245130889 VCVAZNKBTZENSN-UHFFFAOYSA-N 393.484 2.532 0 40 GFAB CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257244122 IJYIFPUDXQLDNS-JOCHJYFZSA-N 393.531 2.942 0 40 GFAB COc1ccc(CC(=O)N2CC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 257301590 RZBKTJFPJBKGKI-INIZCTEOSA-N 390.447 2.577 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 260793443 PQGDMBVABANOSK-HOTGVXAUSA-N 390.505 2.770 0 40 GFAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 408616848 BIVSMPXZZDSZFL-UHFFFAOYSA-N 394.537 2.745 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408623537 RSKTXMWVYANBGD-GFCCVEGCSA-N 382.869 2.906 0 40 GFAB Cc1cc(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)ccc1-n1cccn1 515152828 IYXHIPSTHQDNQK-QGZVFWFLSA-N 381.436 2.901 0 40 GFAB Cn1ccnc1C(NC(=O)Nc1cc(C2(C)CCCC2)on1)c1nccn1C 529087278 LZYHMIRCTGPSDY-UHFFFAOYSA-N 383.456 2.884 0 40 GFAB C[C@@H]1CCN(c2cc(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)ccn2)C1 531217570 DBFPBRZLUFTKED-QGZVFWFLSA-N 392.503 2.962 0 40 GFAB O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)N[C@@H](C1CC1)[C@H]1CCCCO1 585090958 FCUJSFZXOYWUMM-ZBFHGGJFSA-N 391.434 2.577 0 40 GFAB CCn1nc(C)c(S(=O)(=O)Nc2ncc3[nH]ccc3c2Br)c1C 585138289 BSBGIOUUDUTJAK-UHFFFAOYSA-N 398.286 2.959 0 40 GFAB C[C@H]1CN(C(=O)NCc2cccc(OCc3ccccn3)c2)CC[C@@H]1C(=O)O 626744996 GCUDAPBNWHONBB-KXBFYZLASA-N 383.448 2.913 0 40 GFAB Cn1cc([C@@H]2CN(Cc3csc(-c4cccc(C(=O)O)c4)n3)CCO2)cn1 652426153 JNJREQZGPXNBDD-KRWDZBQOSA-N 384.461 2.815 0 40 GFAB Cn1nnc2c1CC[C@@H](NCc1cnn(-c3ccc(C(F)(F)F)cc3)c1)C2 655840809 KCORUZPEMXJXKW-CQSZACIVSA-N 376.386 2.667 0 40 GFAB CCN1CCC(N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)CC1 1615118428 CFAMLTURQPUKPM-JOCHJYFZSA-N 389.515 2.898 0 40 GFAB NC(=O)[C@@H]1C(=O)N(CCC2=CCCCC2)[C@@]23CCOC[C@@H]2[C@H]1c1ccccc1O3 1615246920 IFOPXEFWHTXBMX-ZDXOVATRSA-N 396.487 2.730 0 40 GFAB biogenic O=C(CN1CCCC1=O)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 2037846183 UJNGIJOZVFCSOB-UHFFFAOYSA-N 398.893 2.795 0 40 GFAB O=C1C[S@@](=O)[C@@H](c2ccccc2)C(=O)N1c1ccc(Br)cc1 1402936 OPYZBTONNAVBLW-NYHFZMIOSA-N 378.247 2.812 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2118842 HLYQYHQAGQPREF-ZMZPIMSZSA-N 375.421 2.576 0 40 GFAB biogenic COc1ccc(OC)c(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)c1 2263624 NCRQYTUGHOIFBE-BOPFTXTBSA-N 379.441 2.691 0 40 GFAB COC(Cn1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O)OC 2405698 VCSDAMZOMXNGAO-UHFFFAOYSA-N 389.477 2.785 0 40 GFAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N)cc1C 2687353 WPSASCXQTHJZPY-UHFFFAOYSA-N 378.436 2.677 0 40 GFAB O=C(NCc1ccco1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015369 VYOHWBICXZGWLL-UHFFFAOYSA-N 393.443 2.746 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 3341377 ZYQQRTZMDHEDSJ-GFCCVEGCSA-N 382.441 2.865 0 40 GFAB CC(C)(C)OC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3364971 WSMVQQFSYYJYFM-UHFFFAOYSA-N 380.400 2.884 0 40 GFAB COc1ccc(CCNC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1OC 3418399 NVRDTPNBZNGFAJ-UHFFFAOYSA-N 390.867 2.836 0 40 GFAB Cc1ccc2c(COC(=O)Cc3n[nH]c(=O)c4ccccc34)cc(=O)oc2c1 3429907 ZIMURIQEKXQWPO-UHFFFAOYSA-N 376.368 2.624 0 40 GFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 3462353 NRIQANWNOXKDDG-IBGZPJMESA-N 391.349 2.900 0 40 GFAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc2c(c1)OCCO2 4107153 VQRYXXGLPSUCRV-UHFFFAOYSA-N 381.344 2.531 0 40 GFAB CCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C(=O)OC)cc3)n2)cc1 4169422 ZIEGEJBAPCWDHI-UHFFFAOYSA-N 395.419 2.554 0 40 GFAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)N1CCc2ccccc21 4376987 KDDSJRDPYZWNFF-UHFFFAOYSA-N 388.456 2.868 0 40 GFAB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 4863250 HWABDGNIOJVAKM-PKOBYXMFSA-N 391.427 2.601 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1 5191416 KDUPOERKAQVHNB-INIZCTEOSA-N 382.420 2.581 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 5298845 BJQNFQKGTZWQMI-OAHLLOKOSA-N 378.475 2.743 0 40 GFAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1cccs1)OCC3 5347295 FMWAMCYPFDZTDS-LJQANCHMSA-N 393.468 2.887 0 40 GFAB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1OC 5396567 SMTZDMXLCBDBPG-UHFFFAOYSA-N 379.416 2.875 0 40 GFAB CCCn1c(SCC(=O)N(C)C)nc2ccc(Br)cc2c1=O 6141386 XSTBOFZZIXOWCD-UHFFFAOYSA-N 384.299 2.749 0 40 GFAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1 6145927 FQEMUOGDIFJIQN-UHFFFAOYSA-N 386.429 2.668 0 40 GFAB CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 6432683 PJCFAXVJKFDIBV-FQEVSTJZSA-N 397.475 2.537 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 6506096 SATAFLSQWOACKF-UHFFFAOYSA-N 384.910 2.786 0 40 GFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 6649052 RTSDTJSPBFJMEJ-OAQYLSRUSA-N 399.397 2.711 0 40 GFAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1 6832101 QUVKCMKEQNOJLY-HNNXBMFYSA-N 383.473 2.781 0 40 GFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 7078038 KPTMOQXZJUXKMS-LUHPIMIVSA-N 377.418 2.851 0 40 GFAB Cn1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 7786135 FXIGXRCMQHZDDQ-NSHDSACASA-N 390.519 2.803 0 40 GFAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCOCC1 7881169 BTCXBSARAKQVTR-UHFFFAOYSA-N 396.415 2.546 0 40 GFAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccccc1Cl 7912378 HTSBXHWFJAESKR-CYBMUJFWSA-N 394.903 2.757 0 40 GFAB O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 7928535 MKVNZCOZUYYTTG-OAHLLOKOSA-N 392.411 2.689 0 40 GFAB COc1ccc(CN2C(=O)N[C@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1F 7979811 BHQXOWRUNRESMA-HXUWFJFHSA-N 388.395 2.819 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c(C)c1 8039193 AEPUUDMNLCRSAF-HNNXBMFYSA-N 384.407 2.977 0 40 GFAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1=NS(=O)(=O)c2ccccc21 8133125 DRYQPKOTCKXUKF-UHFFFAOYSA-N 397.378 2.725 0 40 GFAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C2CC2)cc1 8276346 YVBVHVKWGMPPEU-UHFFFAOYSA-N 381.411 2.679 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1NC(C)=O 8941712 GPHPZUACEGCVQX-AWEZNQCLSA-N 376.478 2.953 0 40 GFAB COc1ccccc1C(=O)Nc1cc(=O)[nH]c2nc(-c3ccccc3C)nn12 9330044 BYVZKZXYCAROPM-UHFFFAOYSA-N 375.388 2.654 0 40 GFAB O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccccc3)[C@H]2C1 9344719 PWGWESJXJCMJFY-ROUUACIJSA-N 388.514 2.840 0 40 GFAB CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2ccco2)cc1OCC 10753932 SDHWIBXXGVLEAT-CSKARUKUSA-N 387.432 2.992 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@H](C)C(=O)c1ccccc1 10900443 AVOSAMOELWOIIT-CQSZACIVSA-N 375.446 2.674 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2ccc3c(c2)CCCC3)c1=O 10912010 OVVQYULRKRIPMZ-UHFFFAOYSA-N 378.350 2.728 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 11009738 GZFFMNVXEXAYTN-UHFFFAOYSA-N 382.464 2.657 0 40 GFAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 11326658 YJAWQOGPAYBAMW-LJQANCHMSA-N 384.461 2.861 0 40 GFAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1C 11364427 ADWCYFDOHTYUQC-UHFFFAOYSA-N 399.472 2.951 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CN1CCCCCC1=O 11385132 DUKZCCNBUBCBLI-UHFFFAOYSA-N 382.844 2.541 0 40 GFAB COc1cccc(NC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)c1 12003545 JXWBROBPRUTRHA-UHFFFAOYSA-N 394.836 2.667 0 40 GFAB COc1ccccc1CC(=O)N1CCC[C@H]([C@@H](NC(C)=O)c2nccs2)C1 12157898 VUJQQKABHJOQMF-QFBILLFUSA-N 387.505 2.810 0 40 GFAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)on1 12337689 VFKRGLQRQVNAJV-KRWDZBQOSA-N 391.431 2.582 0 40 GFAB CCCCN(CC)C(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)[C@H](C)CC 12551931 YPILDSZGWPYMBR-RHSMWYFYSA-N 379.526 2.788 0 40 GFAB NC(=O)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCCC2 13656207 ZTVPKIXCPHZVEM-UHFFFAOYSA-N 394.456 2.524 0 40 GFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-n2cnnn2)cc1 14119583 NXGWLJQPADMAGT-UHFFFAOYSA-N 391.353 2.671 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 14372573 DWSFHHLYOPNXBO-ZDUSSCGKSA-N 396.472 2.534 0 40 GFAB COc1ccc(S(=O)(=O)Oc2ccc(N3CCCC3=O)cc2)cc1OC 15361275 MAYFGOWKTHFFQY-UHFFFAOYSA-N 377.418 2.598 0 40 GFAB C[C@H](SCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15493624 FJFQSLUECDKUFL-GXSJLCMTSA-N 382.334 2.918 0 40 GFAB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(C(=O)NC)cc2)c1 15756750 VENDRKFQNVFYHP-UHFFFAOYSA-N 378.450 2.644 0 40 GFAB CCOc1ccccc1N1CCN(Cn2c(NCCO)nc3ccccc32)CC1 15981576 RXWKAAYDLGZTJU-UHFFFAOYSA-N 395.507 2.619 0 40 GFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1 19463283 FZSFXAWJVYORPU-RVKKMQEKSA-N 380.496 2.797 0 40 GFAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCOCC2)n1 19573638 VVWBYUHHYOHWED-HNAYVOBHSA-N 390.915 2.732 0 40 GFAB CN(C)c1ncc(CN2CC[C@@H](c3cc(COc4ccccc4F)n[nH]3)C2)cn1 19704547 LNNLSLJIOOJSLF-MRXNPFEDSA-N 396.470 2.973 0 40 GFAB COC(=O)[C@@](NC[C@@H]1CCCO1)(NC(=O)CCC1CCCCC1)C(F)(F)F 19848876 VZURSNFNPHEJLE-WMLDXEAASA-N 394.434 2.663 0 40 GFAB CCc1cccc(CC)c1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20490448 OIZBCXOQNGBEMV-SFHVURJKSA-N 388.489 2.977 0 40 GFAB CCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 21273753 KEYDEZIYBVFTIE-UHFFFAOYSA-N 384.860 2.806 0 40 GFAB C[C@@H](NC(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cc2ccccc2o1 23718503 SVYAPTYUGSWCTM-PBHICJAKSA-N 390.505 2.509 0 40 GFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCCn1cnc2ccccc21 24975357 UAIWCFIDMBKGJN-UHFFFAOYSA-N 389.459 2.802 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CN2CCCc3cc(F)cc(F)c32)cc1 26726686 XBNDRELAUXRXFG-UHFFFAOYSA-N 380.416 2.760 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)ccc1OC 30865511 VZZLXAKQMKZEOW-CQSZACIVSA-N 376.478 2.711 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl 32585917 UQMOPXPACAGOMO-UHFFFAOYSA-N 382.869 2.986 0 40 GFAB C[C@@H](NC(=O)c1ccccc1OCC(N)=O)c1ccc(OC(F)(F)F)cc1 32817059 ZIIHMJGXEPWXHF-LLVKDONJSA-N 382.338 2.940 0 40 GFAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)NCc1ccccc1Cl 35598343 WYXNOQWPQDLUJZ-UHFFFAOYSA-N 397.910 2.650 0 40 GFAB O=C(COc1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38731253 INDWERZJHDJCEU-LSDHHAIUSA-N 388.464 2.741 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(CN2CCCCCC2)CC1 40121842 GDEIKAFWWFPQJP-GOSISDBHSA-N 375.561 2.952 0 40 GFAB Cc1ccc(Nc2nc(-c3cnc(N4CCOCC4)nc3C)cc(=O)[nH]2)cc1C 40389110 CABUOJFZMNDIMA-UHFFFAOYSA-N 392.463 2.732 0 40 GFAB O=C(/C=C/c1ccccc1Cl)NCCS(=O)(=O)N1CCc2ccccc21 41579624 KGVSXBJVVXRPTR-MDZDMXLPSA-N 390.892 2.862 0 40 GFAB CCOC(=O)c1ccccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 42783146 TYGQHCQPPOJNQL-JSGCOSHPSA-N 379.409 2.705 0 40 GFAB Cn1c(Cl)cnc1COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 43764697 ULOVXSAXZRBLIR-UHFFFAOYSA-N 394.903 2.775 0 40 GFAB CC1(C)CCCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 44919019 AZDAWVHWHKYBLS-HNNXBMFYSA-N 386.901 2.516 0 40 GFAB COc1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc(Cl)c1OC 46421525 UFOSQUGPIXDHAK-ZDUSSCGKSA-N 376.844 2.546 0 40 GFAB CC(C)c1nn(-c2ccccc2)cc1CNC1CCN(S(C)(=O)=O)CC1 48235969 BVAKQUGLAREUEE-UHFFFAOYSA-N 376.526 2.509 0 40 GFAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 48302689 PJQZDSNFFZLFLH-ZDUSSCGKSA-N 385.851 2.859 0 40 GFAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3Cl)n(C)c(=O)c2[nH]1 57521655 ALZPLIFDGRWYPO-UHFFFAOYSA-N 394.859 2.771 0 40 GFAB O=C(Nc1ccnn1C[C@H]1CCOC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 58008106 JEHMPNJCTQVGOL-ZIAGYGMSSA-N 388.855 2.565 0 40 GFAB CC(C)c1noc(CCCNC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)n1 58014872 BRUNNHRMZIGDHJ-UHFFFAOYSA-N 393.831 2.932 0 40 GFAB CCOc1ccccc1CNC(=O)Cn1c(C)nc2cc3c(cc21)OCCO3 64814335 UBDLXTXYJBSUNI-UHFFFAOYSA-N 381.432 2.831 0 40 GFAB Cc1cc(C)n(-c2ccc(CN3CCc4cc(S(N)(=O)=O)ccc43)cc2)n1 71874390 PIDGATAMVAADSB-UHFFFAOYSA-N 382.489 2.699 0 40 GFAB CCOC(=O)Cn1cc(CN2CCc3c(O)nc(C)nc3C2)c2ccccc21 72347442 KUCRDKUKJAXFDY-UHFFFAOYSA-N 380.448 2.567 0 40 GFAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)/C=C/c4cccs4)C3)n2)c1 77191168 ADRWUVHVHASESG-BQYQJAHWSA-N 394.456 2.797 0 40 GFAB COc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1NS(C)(=O)=O 78974829 JLFJGBNYKQBCEV-UHFFFAOYSA-N 390.465 2.658 0 40 GFAB Cc1cc(O)cc(=O)n1[C@H](C)C(=O)NC1(c2ccc(Br)cc2)CC1 79056549 KNNBQWUUNPAOAA-GFCCVEGCSA-N 391.265 2.991 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCc3occc32)c1 83851348 MNFXZXSZHINRMB-HNNXBMFYSA-N 382.869 2.991 0 40 GFAB CC(C)(C)n1/c(=N/C(=O)c2ccc(N3CCNC3=O)cc2)[nH]c2ccccc21 84325738 JQTXYKVEFWWIAO-UHFFFAOYSA-N 377.448 2.995 0 40 GFAB CCOC(=O)N[C@@H](CNC(=O)c1noc(-c2cc(F)ccc2F)n1)CC(C)C 84794374 OQCFZTGJUJLCMP-GFCCVEGCSA-N 396.394 2.905 0 40 GFAB COc1ccc(C)cc1/C=C/C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 89610890 CLWLMBPZSKSDMY-ZGZGDDKXSA-N 383.536 2.786 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl 90610642 DYKPUCYCBFGHQJ-AWEZNQCLSA-N 388.272 2.940 0 40 GFAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCC(n2ccnn2)CC1 95431513 KLVVWCWMNNIQPT-LJQANCHMSA-N 383.496 2.595 0 40 GFAB CN1CCO[C@H]([C@@H](NC2CN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc2)C1 95454572 GVUPNDXGXAYLPP-ROUUACIJSA-N 395.931 2.921 0 40 GFAB Cn1nc(-c2ccccc2NC(=O)c2cncc(Br)c2)ccc1=O 96025127 RMLCIXDPDPQBHT-UHFFFAOYSA-N 385.221 2.857 0 40 GFAB CCN1C[C@@H](c2cc(O)n3ncc(C(=O)Nc4ccccc4Cl)c3n2)CC1=O 100665840 RWDKZGXSJCTQGN-NSHDSACASA-N 399.838 2.676 0 40 GFAB O=C(NCc1cc(O)n2nc(-c3cccs3)cc2n1)c1ccc2c(c1)OCO2 100769294 SFEIQEHHNWDFFP-UHFFFAOYSA-N 394.412 2.822 0 40 GFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H]1CC[C@H](C(=O)O)CC1 101031036 GAMHDIDFJYINEW-OKILXGFUSA-N 399.443 2.668 0 40 GFAB CCOc1cccc2s/c(=N/C(=O)c3ccccc3S(C)(=O)=O)n(C)c12 101041697 RAIBAWJUFWAORA-VHEBQXMUSA-N 390.486 2.783 0 40 GFAB CC(=O)N(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc(C(F)(F)F)c1 101418421 GMXFTGRELQZGKJ-APYUEPQZSA-N 378.350 2.823 0 40 GFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3ccco3)CC2)cc1 207008298 BPYKJVUITFSNTQ-QGZVFWFLSA-N 394.518 2.850 0 40 GFAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217480858 AZLAMWKYNJQVSI-KBPBESRZSA-N 392.477 2.871 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2OCC)cc1 224584553 MXWAVDLUIVYXNY-UHFFFAOYSA-N 379.434 2.764 0 40 GFAB COc1ccc(CCNC(=O)NCC2CCN([C@H]3CCSC3)CC2)cc1 225577062 YEXMGCGMLSUSIY-SFHVURJKSA-N 377.554 2.754 0 40 GFAB CC(C)n1cnc(S(=O)(=O)N2CCC(N3CCc4sccc4C3)CC2)c1 225690276 QWTHGDYXTNDDCE-UHFFFAOYSA-N 394.566 2.737 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)s2)c1 225807252 QSMIBWWMGFMYFD-YRGRVCCFSA-N 392.506 2.566 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)C3)ncc2C1 247952552 RKIDMDMMDGBVLG-LBKNJMOBSA-N 382.508 2.523 0 40 GFAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@H](N(C)c2ccc(F)cc2)CO3)cn1 257272479 NCOGWWZATLCTJU-SFHVURJKSA-N 384.455 2.824 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)ccc1OCC 408697712 LHNOSWUXJGAGTK-UHFFFAOYSA-N 376.478 2.622 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 409411894 NBQRORPZIUALAJ-ZDUSSCGKSA-N 396.896 2.820 0 40 GFAB O=C(Cn1cc(C(=O)N[C@H](c2cccnc2)C2CC2)cn1)NC1CCCCC1 534007014 YCCWTCGWOXNHDS-FQEVSTJZSA-N 381.480 2.608 0 40 GFAB O=C(Nc1ccc(I)cc1)c1ccc2nc(O)[nH]c2n1 559262001 OWJFKPONEMKBCP-UHFFFAOYSA-N 380.145 2.520 0 40 GFAB O=C(CN1CCC[C@H]1Cn1cc(C2CC2)nn1)NC1C2CC3CC(C2)CC1C3 582647288 IIXSFSOXHRKMAR-VECSYPARSA-N 383.540 2.561 0 40 GFAB Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cnn([C@H]2CCCNC2)c1 583078619 OCKSJCDXGBZOKV-KRWDZBQOSA-N 384.871 3.207 0 40 GFAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc4ncccn4n3)c2)c1C 589830292 LMHVQODKFGZMFH-UHFFFAOYSA-N 390.403 2.652 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1COc2ccccc2C1 613951030 LDZDCRBVXYBXGS-HXUWFJFHSA-N 392.499 2.978 0 40 GFAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[C@H](C(=O)O)c3ccccc3)CC2)C1 634866351 VAJDXYUPVITSLQ-APWZRJJASA-N 386.492 2.742 0 40 GFAB CNC(=O)c1ccc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)nn1 653908731 UKZWYISATBHSJO-UHFFFAOYSA-N 394.353 2.795 0 40 GFAB C[C@@H](C(=O)Nc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1)n1cccn1 655745710 ZWDIGEDHUXKTOH-OXJNMPFZSA-N 383.496 2.748 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)no1 670786916 ZVPIIIAPKJXRIX-LLVKDONJSA-N 377.447 2.561 0 40 GFAB O=C1CCc2cc(S(=O)(=O)N3CC[C@H](c4cccs4)C3)cc3c2N1CC3 828283867 WUDJWLKYIKEXBU-HNNXBMFYSA-N 388.514 2.762 0 40 GFAB COCCNC(=O)C1(Nc2nccs2)CCN(Cc2ccc(C)s2)CC1 2055738978 FMFYGXRSILYHOY-UHFFFAOYSA-N 394.566 2.722 0 40 GFAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)CN(C(=O)c1ccsc1)CCO2 2055835205 KLSUUKMTQKEJRA-UHFFFAOYSA-N 387.505 2.543 0 40 GFAB Cc1cnn(-c2cccc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n2)c1 2298060303 CETKFXOCUDWOKB-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB O=C(CCCn1nnc2ccccc2c1=O)Nc1nc(-c2ccccn2)cs1 61720029 MGBVZGRIKOWBIU-UHFFFAOYSA-N 392.444 2.729 0 40 GFAB COc1ccc(CC(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)cc1 879313 RPLDDGIFYXDKLP-QGZVFWFLSA-N 379.338 2.520 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 3493610 SKPLFCPYPXUKSR-UHFFFAOYSA-N 387.436 2.913 0 40 GFAB COc1ccc(OCCOC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4327359 JGLJWZFEPFIILF-UHFFFAOYSA-N 387.476 2.950 0 40 GFAB CC[C@@H](c1nnnn1C(C)(C)C)N(CCO)Cc1cc2cc(C)ccc2[nH]c1=O 4847553 GICXFLXNWDVPNP-SFHVURJKSA-N 398.511 2.524 0 40 GFAB COc1cc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc(OC)c1 7458287 GOLNZKQIEFZBOL-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)c1 7881548 JONGHRCYRBABEZ-INIZCTEOSA-N 397.427 2.791 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 20024409 BPYXYWIUQCPVOR-OAHLLOKOSA-N 390.505 2.756 0 40 GFAB COCC(=O)Nc1ccc(NC(=O)NCCCc2nc(C(C)C)no2)cc1 58343584 RLIGGJNXTQQROP-UHFFFAOYSA-N 375.429 2.532 0 40 GFAB C[C@@H](Sc1nnnn1Cc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 10433463 COYMAYPVJOUPEH-LLVKDONJSA-N 395.452 2.679 0 40 GFAB COc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OC 20047424 HTJYCUMEPBQATE-UHFFFAOYSA-N 392.477 2.656 0 40 GFAB C[C@H]1C[C@H](C)CN(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 36397006 RLEJPETWTLKCFF-HOTGVXAUSA-N 379.932 2.944 0 40 GFAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3cccc(Cl)c3)c(-c3ccccc3)cn21 2340463 FJISULJDVUTAQW-UHFFFAOYSA-N 391.818 2.986 0 40 GFAB CC(C)C[C@H]1NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 2628026 DMWKKDOPXMXHIZ-GOSISDBHSA-N 379.460 2.859 0 40 GFAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3CCCO3)CC2)nn1C 100687623 UKOJRRYWYCQYHE-SCTDSRPQSA-N 376.545 2.783 0 40 GFAB COc1cccc(CCC(=O)Nc2nc(CN3CCOCC3)cs2)c1OC 12620986 NHVZVIYFNRCSLC-UHFFFAOYSA-N 391.493 2.564 0 40 GFAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12604933 CPCFICDXUJKDKI-UHFFFAOYSA-N 398.431 2.922 0 40 GFAB COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 100159055 JWECCBFKMMJTPN-IYBDPMFKSA-N 395.463 2.602 0 40 GFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 101270940 BQQVNSIEULXIPZ-DQEHQXCCSA-N 388.508 2.609 0 40 GFAB O=C(NCc1ccc2c(c1)OCCO2)NCc1cccnc1OCC(F)(F)F 58757221 OGPQSXMMFRYNCI-UHFFFAOYSA-N 397.353 2.793 0 40 GFAB O=C(c1ccc(S(=O)(=O)Cc2ncc(-c3ccccc3)o2)nc1)N1CCCC1 48289448 VVVMLYSFHSKOAX-UHFFFAOYSA-N 397.456 2.947 0 40 GFAB O=C(NC1=NCCS1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 12775117 ZJLALGUPJIGDIX-UHFFFAOYSA-N 396.310 2.520 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O 12761651 YZFMCMPUGWGZER-UHFFFAOYSA-N 390.443 2.526 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 3306326 WUMNAMKLGVUXMK-UHFFFAOYSA-N 396.852 2.614 0 40 GFAB C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1F 24170363 OPMVUKNKFWWSCG-GFCCVEGCSA-N 386.402 2.511 0 40 GFAB O=C(OCc1cc(-c2ccco2)on1)c1cccc(N2CCCS2(=O)=O)c1 12893900 RCQVFCQRDACIAU-UHFFFAOYSA-N 388.401 2.832 0 40 GFAB CC(C)(C)NC(=O)CSc1nnc(N2CCN(c3ccccc3)CC2)s1 23140145 XVHCYWMJXVDCEL-UHFFFAOYSA-N 391.566 2.872 0 40 GFAB COc1ccccc1CCNC(=O)Cn1c(S)nnc1-c1ccc(C)cc1 12990223 UUVMGTIYHWCUCG-UHFFFAOYSA-N 382.489 2.910 0 40 GFAB CCOc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 12926216 LWGXVSKSJRWZDO-UHFFFAOYSA-N 382.460 2.885 0 40 GFAB CCCCN(C(=O)c1ccc(Cl)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12902335 OKWAJZYPIUHNES-UHFFFAOYSA-N 398.916 2.937 0 40 GFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1 12924849 XRGUPHTVBZCORQ-ZBFHGGJFSA-N 393.443 2.702 0 40 GFAB Cc1ccc2c(COC(=O)c3ccc(NS(C)(=O)=O)cc3)cc(=O)oc2c1 12990845 FFUOIOOUUZYJOQ-UHFFFAOYSA-N 387.413 2.830 0 40 GFAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 13115756 LPZZFYNNMGKTFG-GASCZTMLSA-N 397.566 2.748 0 40 GFAB COc1ccc(CNC2=N[C@H](c3ccccc3)n3c(nc(C)cc3=O)N2)cc1 9341203 QKPNLERYQPSNOA-IBGZPJMESA-N 375.432 2.679 0 40 GFAB COc1cccc(CC(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 14125674 MEGIHDKSTJZLRW-UHFFFAOYSA-N 384.457 2.929 0 40 GFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)c(C)c1C 14201129 FVSUSEFSCMDZFN-UHFFFAOYSA-N 390.505 2.968 0 40 GFAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)nc2n1 14424200 GPGXBVVLDZWKMP-UHFFFAOYSA-N 378.436 2.666 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1 14711795 ILQIZVFTJYQPQX-HNNXBMFYSA-N 395.459 2.921 0 40 GFAB NC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c1 15542309 NKEUNKYEXPRKEJ-FQEVSTJZSA-N 387.439 2.765 0 40 GFAB COc1ccccc1CCC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 7429400 SYKTZOVKCUGNMU-UHFFFAOYSA-N 396.443 2.702 0 40 GFAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 8637558 HMRXEXPNXGNUGZ-UHFFFAOYSA-N 375.446 2.649 0 40 GFAB CC(C)(C)c1ccc(OCCNC(=O)Cn2cnc3sccc3c2=O)cc1 18151177 LSXPYNCSLOSGEM-UHFFFAOYSA-N 385.489 2.951 0 40 GFAB Cn1cccc1[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 21152109 RVNSCUOMERCLEV-QGZVFWFLSA-N 381.398 2.847 0 40 GFAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCN(Cc2ccccc2)CC1 18366029 YPKDAYLOCXKPIQ-OAHLLOKOSA-N 397.504 2.890 0 40 GFAB COC(=O)c1cn([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3Cl)C2)nn1 97137988 UYXOAPFXGGEIOU-GFCCVEGCSA-N 397.262 2.778 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1 22227024 KQQQDDMAGLETEK-UHFFFAOYSA-N 390.505 2.698 0 40 GFAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccccc3C)C1=O)CC2 22609135 UYRMVBLHWVYWCF-GOSISDBHSA-N 380.444 2.702 0 40 GFAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409118457 QHJIEMYOTYMQSI-UHFFFAOYSA-N 390.505 2.503 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C1=NN(c2ccccc2)C(=O)CC1 32910810 UKPQPLKFCIELAZ-UXLLHSPISA-N 385.464 2.796 0 40 GFAB CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1C 36614548 GQRIFZOKWXVXDH-UHFFFAOYSA-N 396.944 2.680 0 40 GFAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)Cc2ccccn2)n[nH]1 72380617 RQSQWAKCZPAJIO-IBGZPJMESA-N 381.480 2.773 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(F)cc2)cc1 226044627 GMDOOGKHGPXPTK-UHFFFAOYSA-N 380.441 2.508 0 40 GFAB CC(C)(C)c1n[nH]c(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1 575101159 YEDLLGFVGNAQJT-BRWVUGGUSA-N 383.496 2.816 0 40 GFAB CCN(CC(=O)N(C)Cc1ccccc1F)S(=O)(=O)c1ccc(F)cc1 226056067 ISQMGOSWRHGPSR-UHFFFAOYSA-N 382.432 2.634 0 40 GFAB CN(c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1)S(C)(=O)=O 222495113 SSJLBUUUIHLQAZ-UHFFFAOYSA-N 396.852 2.759 0 40 GFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 223005385 ORCOQVZAGUCSLA-RTBURBONSA-N 388.537 2.765 0 40 GFAB O=C(Cc1ccccc1)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244267 PZIALFQLSUZHAO-QHCPKHFHSA-N 386.455 2.782 0 40 GFAB Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3cccnc3N2)o1 253596202 OJUWJIOYUHTATG-MJCKSOBWSA-N 394.475 2.977 0 40 GFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(Cc4ccccc4)CC3)n2)cc1C 256047581 NFRAPSZLWNBVQY-UHFFFAOYSA-N 391.475 2.905 0 40 GFAB COCCn1cc(CNC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cn1 624003044 MSXNHGLYYIFMJF-MRXNPFEDSA-N 378.423 2.897 0 40 GFAB Cc1cccc(C)c1[C@H](C)NC(=O)Cn1cnc2c1CCNC21CCOCC1 1615553710 YMPSYTUZSKNIBY-KRWDZBQOSA-N 382.508 2.529 0 40 GFAB Cc1ccc(O)c(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111187 IDIDUDZGVKDLBS-HXUWFJFHSA-N 377.444 2.989 0 40 GFAB COC[C@H]1CC2(CCN(C(=O)C3CC(F)C3)CC2)CN1Cc1cccnc1 585103480 GVNLIOTYWKNFAY-CTWPCTMYSA-N 375.488 2.659 0 40 GFAB CC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4ccncc4)CC3)cc2NC1=O 72339702 HVEYQCRMURSVGT-GOSISDBHSA-N 393.443 2.926 0 40 GFAB O=C(CCCC1CCCCC1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 53991696 SSBKOIAYQJHLHR-UHFFFAOYSA-N 385.508 2.625 0 40 GFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(C(F)(F)F)cc1 57440466 NAOMLKRJUKKGAR-UHFFFAOYSA-N 381.354 2.695 0 40 GFAB COc1ccc(F)cc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159192 OOVVBEAIOWPEEU-QFIPXVFZSA-N 398.434 2.873 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)c(OC)c1 5000601 RJDFFUAVTUMUSB-UHFFFAOYSA-N 394.478 2.635 0 40 GFAB CC(=O)Nc1ccc(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 5559305 AVUKOFJSVLLHIH-UHFFFAOYSA-N 392.506 2.704 0 40 GFAB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1C[C@H]1CCCO1 5672744 HLVRXXSRPXADAH-GOSISDBHSA-N 381.436 2.521 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12997123 OQVTUGLGPPWOLU-LJQANCHMSA-N 379.460 2.972 0 40 GFAB Nc1nc(-c2ccccc2)cc2nnc(SCC(=O)NC3CCCCC3)n12 13086581 USGWKXNXMACUQK-UHFFFAOYSA-N 382.493 2.915 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)c4cc5ccccc5o4)C3)ncc2C1 19018730 QJITWVNCDQVKRA-INIZCTEOSA-N 390.443 2.757 0 40 GFAB COCCc1ncc(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)cn1 19208431 ZJUISFVWMMCWMY-UHFFFAOYSA-N 380.536 2.823 0 40 GFAB Cc1cccc(-n2cccc2CN(CCN2CCOCC2)Cc2cccnc2)n1 19236401 VBHQYFDUMCRMSI-UHFFFAOYSA-N 391.519 2.910 0 40 GFAB Cc1cnc(C(=O)NCCn2c(C(F)(F)F)cc(=O)c3cccc(F)c32)cn1 19238996 BLTOZNRGXCKLLW-UHFFFAOYSA-N 394.328 2.688 0 40 GFAB O=C(c1c(F)cccc1F)N1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 19292644 AAAPYRCOBXGSDJ-ZDUSSCGKSA-N 384.390 2.566 0 40 GFAB CC[C@@H](CN1CCOCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 19500399 ZDECVRHBCDVPOX-AWEZNQCLSA-N 377.485 2.719 0 40 GFAB COc1ccc2sc(NC(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)nc2c1 19563715 UBKUJKCBHUPVHY-ZDUSSCGKSA-N 382.445 2.687 0 40 GFAB CCC(=O)N(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700995 WTXFPIZEYMIATC-CQSZACIVSA-N 399.470 2.571 0 40 GFAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4cc(CN(C)C)n(C)n4)C3)cc12 19709048 LAOPSSKGFUWIBD-HNNXBMFYSA-N 395.507 2.991 0 40 GFAB CNc1cc(CN(C)C(=O)CCc2ccc(OC)cc2)nc([C@H]2CCCN2)n1 19759991 NDUGVYAYBPTKEY-GOSISDBHSA-N 383.496 2.543 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)n1 12086756 YRCGHODQYRARHJ-VGSWGCGISA-N 396.491 2.635 0 40 GFAB C[C@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[C@]1(C)CO 664213926 SHLITAFKRZMDIT-ZUZCIYMTSA-N 395.809 2.793 0 40 GFAB COCc1nccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)n1 667982914 VBXUQOXHLMPVNL-UHFFFAOYSA-N 397.266 2.679 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(S(C)(=O)=O)ccc1C 6003974 RZDOKCBSMZVGQG-UHFFFAOYSA-N 376.430 2.967 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)c(OC)c1 6790081 VKRZDOIAPSLBNT-UHFFFAOYSA-N 376.360 2.582 0 40 GFAB FC(F)(F)c1ccc(N2CCC(COc3ccc4nccn4n3)CC2)nn1 1888875655 GWPAWGFECNOXBA-UHFFFAOYSA-N 378.358 2.834 0 40 GFAB Cc1cccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccccc2)c1 16695670 UCWVXGCBVDIFEH-UHFFFAOYSA-N 386.395 2.869 0 40 GFAB CC(C)N1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565541746 XFLGAVRLXYTODD-GHTZIAJQSA-N 384.501 2.994 0 40 GFAB C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)C1 1261873 CYGSUXXNAZHIOM-HZPDHXFCSA-N 395.507 2.538 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cccc(N2C(=O)CCC2=O)c1 4348509 OIRYQNBFQSQEJS-UHFFFAOYSA-N 395.396 2.931 0 40 GFAB O=C(O)[C@H]1CS[C@H](c2cc(Br)c(O)c(Br)c2)N1 4547565 YSXSRLZSKXDLNH-VXNVDRBHSA-N 383.061 2.705 0 40 GFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1ccccc1F 4686475 BNVBQOKWNFBXFY-MRXNPFEDSA-N 387.333 2.699 0 40 GFAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 9039522 JAPOPZWPJUWONW-CQSZACIVSA-N 397.431 2.989 0 40 GFAB Cn1nc(NC(=O)COc2ccccc2)c2c1NC(=O)C[C@H]2c1cccs1 36705592 UMRXWKITKQECRP-ZDUSSCGKSA-N 382.445 2.973 0 40 GFAB Cn1cc(CC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c2ccccc21 44454575 ISHXUEWZMHTCGR-UHFFFAOYSA-N 381.398 2.638 0 40 GFAB CCOc1ccccc1NC(=O)Cn1nc2ccc(-c3ccccc3)nn2c1=O 49009284 RPGYOLIVQXEPOR-UHFFFAOYSA-N 389.415 2.595 0 40 GFAB COc1ccc(CCC(=O)NCc2cccnc2-c2cnn(C)c2)c(OC)c1 575619814 ZFCKGUNGUHMMNH-UHFFFAOYSA-N 380.448 2.748 0 40 GFAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 20762760 GQRBZPRMONGSLV-SFHVURJKSA-N 377.404 2.771 0 40 GFAB biogenic COc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1 20794917 BGSJGZXDSFUSAJ-JOCHJYFZSA-N 393.443 2.807 0 40 GFAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1csc(-c2ccccc2F)n1 102139101 QSRFZGHFHVAAJM-LLVKDONJSA-N 384.454 2.578 0 40 GFAB Cc1ccc(OCCNC(=O)NCc2ccccc2CN2CCCC2=O)cc1 32779654 ONZDBRALMNFWPC-UHFFFAOYSA-N 381.476 2.996 0 40 GFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-n2cncn2)cc1 32731036 VWEYQDSJVASFCI-UHFFFAOYSA-N 376.464 2.580 0 40 GFAB C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1F 22394204 ARVCQINCZZYXCF-CYBMUJFWSA-N 379.457 2.636 0 40 GFAB Cc1cn(S(=O)(=O)c2cc(Br)ccc2Br)cn1 786185 DUPNPSVIHQRRFN-UHFFFAOYSA-N 380.061 2.954 0 40 GFAB COc1cc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc(OC)c1OC 2024555 MREISZAYJLGSHS-AWNIVKPZSA-N 383.356 2.786 0 40 GFAB biogenic O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2Cl)CC1 2635383 ZWKMNEBRMRYHRH-UHFFFAOYSA-N 394.880 2.622 0 40 GFAB O=C(CSc1nnc(-c2cccs2)o1)NCc1ccc2c(c1)OCO2 2639708 YBENJSOBIBFHFI-UHFFFAOYSA-N 375.431 2.935 0 40 GFAB COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC 3291461 JFNWQYSZOOXNJR-UHFFFAOYSA-N 398.488 2.736 0 40 GFAB CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccccc1OC 3401103 AZQIXAJWFUDZQC-UHFFFAOYSA-N 391.497 2.690 0 40 GFAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1 3491777 PKKLKQIRUBYVQT-UHFFFAOYSA-N 397.500 2.608 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC)cc1 3615017 MIGOMUHRYVBWNR-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB Cc1cc(O)nc2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n12 4249909 ZJSGCBGEIRSGBL-UHFFFAOYSA-N 399.354 2.768 0 40 GFAB CCN(Cc1ccncc1)C(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4676716 UXPJEEPHQZOWJC-FQEVSTJZSA-N 393.418 2.855 0 40 GFAB COc1ccccc1CNC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O 4742528 WKCHHXJYEGUOCW-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB O=c1/c(=C\c2ccc(-c3ccc(Br)cc3)o2)sc2n1CCCN=2 5234339 AMMRZUONJTTWDA-XNTDXEJSSA-N 389.274 2.784 0 40 GFAB Cc1ccc(Cn2nnc3c(O)nc(C4CCN(C(=O)C(C)C)CC4)nc32)cc1 5738572 NOLUXWKZVITUFX-UHFFFAOYSA-N 394.479 2.646 0 40 GFAB COC[C@H](C)NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 6080656 YRAIYTLSQJHZNC-ZETCQYMHSA-N 382.795 2.645 0 40 GFAB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)OCc1ccccc1)OCc1ccccc1 6628860 NSUWDHSSVSZBJZ-IBGZPJMESA-N 379.416 2.991 0 40 GFAB CCOC(=O)Cn1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nnc1=O 6677991 FGEJFSZPUNRCJK-UHFFFAOYSA-N 395.415 2.553 0 40 GFAB Cc1sc(C(=O)Oc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 6679707 GJIVPDFJUCVTEX-UHFFFAOYSA-N 395.458 2.789 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(OC)c1 7323506 QMVNAZUCBVIFPW-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c(OC)c1 7667567 IGGBWYXEVTUGHU-LBPRGKRZSA-N 390.461 2.667 0 40 GFAB COc1cccc(CN(C)C(=O)CCS(=O)(=O)c2ccc(C)cc2)c1OC 8293224 MYMJZFMGGPLTFM-UHFFFAOYSA-N 391.489 2.835 0 40 GFAB COC(=O)C[C@H](NC(=O)CCn1c(C)csc1=O)c1ccccc1Cl 8727350 OUCGVNMSDJDUHP-AWEZNQCLSA-N 382.869 2.682 0 40 GFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1C 8760629 OZFSJBRGDLQLRR-GOSISDBHSA-N 380.444 2.834 0 40 GFAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)no1 8892971 BYECMMFYYVEDBO-OAHLLOKOSA-N 376.482 2.717 0 40 GFAB CC(=O)N[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccccc1 9384787 CGDRYAJGVJVNBF-LRDDRELGSA-N 389.839 2.873 0 40 GFAB CCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccccc3)ccc21 11612980 IQTISDCLHOAFDR-UHFFFAOYSA-N 379.504 2.824 0 40 GFAB CCn1nc(C)c(NC(=O)CN2C(=O)N3CCCN=C3c3ccccc32)c1C 12142806 ODOJNSNCYJLFAY-UHFFFAOYSA-N 380.452 2.551 0 40 GFAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O 12389632 YLTFJBUVTIMZMS-HNNXBMFYSA-N 391.777 2.813 0 40 GFAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1F 12422952 CEDJLBWQKKKDJD-UHFFFAOYSA-N 386.408 2.712 0 40 GFAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N([C@H](C)c2ccccc2)C1=O 12664310 XDGXVRUBBCIVRT-QRQCRPRQSA-N 377.444 2.813 0 40 GFAB biogenic O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1F 12756319 UYTUJJVEXDTEIQ-UHFFFAOYSA-N 376.453 2.930 0 40 GFAB COC(=O)C1CCN(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)CC1 12801177 DVOYPXQMBJLESO-UHFFFAOYSA-N 395.431 2.912 0 40 GFAB C[C@@H](OC(=O)c1ccc(CNC(N)=O)cc1)C(=O)Nc1ccc(F)c(Cl)c1 12810318 QMOXJNXEXMCBIU-SNVBAGLBSA-N 393.802 2.831 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1C 12984592 SONOAXPMEAYKPO-ZDUSSCGKSA-N 386.404 2.805 0 40 GFAB O=C(NCc1ccccc1Cl)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 13628949 ATDKRWXYQGLGHE-DCXXXQMHSA-N 398.846 2.531 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1C 14245227 FHWPOSPKRWYDDW-UHFFFAOYSA-N 380.448 2.983 0 40 GFAB O=C(O)CCc1nnc2n(Cc3ccccc3Cl)c3ccccc3n2c1=O 15085002 KQOQTQKBOVZTNN-UHFFFAOYSA-N 382.807 2.763 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19078800 FSUXKVBEFDDMMY-CRAIPNDOSA-N 396.491 2.604 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@H](C)CCc1ccc(F)cc1)C2=O 19496109 KDXXDUOKVIYSRM-ZSDSOXJFSA-N 389.471 2.764 0 40 GFAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)Cc3cccc(F)c3)C1)CNC2=O 19562833 PGFYZBJOIQKQCG-QFIPXVFZSA-N 398.434 2.560 0 40 GFAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2cnc(C)nc2C)n1 19698345 YBWJMZLPSOQLRT-OAQYLSRUSA-N 394.523 2.526 0 40 GFAB CNC(=O)c1cc([C@H]2CCN(C(=O)c3scnc3C)C2)nc2ccccc12 19754692 DPXPTHOYPSAHNT-ZDUSSCGKSA-N 380.473 2.989 0 40 GFAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(Cl)s1 20004756 RSKCEXGUFNBWSB-UHFFFAOYSA-N 377.871 2.906 0 40 GFAB COCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 20765930 LZWVVZSSKIRCGC-UHFFFAOYSA-N 388.489 2.513 0 40 GFAB CN(C)[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1cn(C)c2ccccc12 21698234 JVEQLLFTRYKUOY-NRFANRHFSA-N 396.535 2.904 0 40 GFAB CC(C)CN1CCO[C@H](CSc2nc3sc4c(c3c(=O)n2C)CCC4)C1 22019001 MKEAPVNQSIRLLJ-ZDUSSCGKSA-N 393.578 2.933 0 40 GFAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 22022542 RUEQRGSQWKXCCA-DGCLKSJQSA-N 384.548 2.688 0 40 GFAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(O)CC3)c(O)n2n1 22855181 ATHSJYPDFZRCHE-OAHLLOKOSA-N 376.457 2.744 0 40 GFAB COc1cc(C(=O)N2CCC[C@@H](c3nnc(C)s3)C2)cc(OC)c1OC 23140544 JDFRBSJKPRFXLI-GFCCVEGCSA-N 377.466 2.892 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccsc2)CC1 23248508 QFNFHPLRBVUEEP-INIZCTEOSA-N 398.532 2.630 0 40 GFAB O=C(CCc1nc2ccccc2[nH]1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 24148528 NAEMVPHSUFILHZ-HXUWFJFHSA-N 396.466 2.824 0 40 GFAB COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(OC)cc2)C2CC2)c1 24361106 UYJWESOHOSKNIT-UHFFFAOYSA-N 375.446 2.835 0 40 GFAB C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 27688033 QLFBHGIDMWICHQ-LLVKDONJSA-N 381.837 2.720 0 40 GFAB CCN(CC)c1nc(Cl)nc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 27792809 KYXBPYCFEQPXPM-UHFFFAOYSA-N 387.875 2.913 0 40 GFAB Cc1ccc(Br)cc1S(=O)(=O)N(CCC(N)=O)c1ccccc1 31669028 LQRFKONCMVKWRP-UHFFFAOYSA-N 397.294 2.828 0 40 GFAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 32595700 RDEAOMKFBUDPQU-UHFFFAOYSA-N 383.372 2.819 0 40 GFAB Cc1ccc(-c2noc(COC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1F 32895698 AJNIPTCPCUYZAA-UHFFFAOYSA-N 394.362 2.707 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3cnc4c(c3)c(C)nn4C)CC2=O)cc1F 32903636 XTYSNMZZALZCPY-ZDUSSCGKSA-N 381.411 2.716 0 40 GFAB CCCn1c(O)nnc1S[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C 32905549 VTXXSCJVLCDAOL-GFCCVEGCSA-N 377.470 2.839 0 40 GFAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1ccc(Br)cc1 36390887 WZIHYHMKQHGTDM-UHFFFAOYSA-N 383.267 2.751 0 40 GFAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1ccccc1Br 36392312 PAOHTKYZCJLIRV-UHFFFAOYSA-N 383.267 2.751 0 40 GFAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 40091279 FGVMDDPBPPABRV-CTNGQTDRSA-N 388.439 2.597 0 40 GFAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 40267409 FLHOVYPGWDSPLP-UHFFFAOYSA-N 396.834 2.559 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386177 YWGVJQSIHDWGJI-SYJIQKIWSA-N 390.395 2.607 0 40 GFAB Cc1nn2c(ncc3c(=O)n(NC(=O)C(C)C)ccc32)c1-c1ccc(F)cc1 40397030 MBTIDSCVMPSEAR-UHFFFAOYSA-N 379.395 2.885 0 40 GFAB COc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(C)c1 47454249 IUGWCXCKUJUYOT-UHFFFAOYSA-N 390.505 2.832 0 40 GFAB CCOc1ncccc1NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 48202199 AFGXPJJQNKZYBA-MRXNPFEDSA-N 389.525 2.652 0 40 GFAB COC(=O)c1cn(Cc2ccccc2Cl)nc1S(=O)(=O)N1CCCCC1 49402106 VGMJPTWRDRVINJ-UHFFFAOYSA-N 397.884 2.546 0 40 GFAB COc1ccc2[nH]c(-c3cc4n(n3)CCCN(Cc3nccn3C)C4)nc2c1 67447082 SYWSKSWQPQUZFN-UHFFFAOYSA-N 377.452 2.574 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2Cn2ccnc2)c1 68119529 KQJADINSIVAITE-UHFFFAOYSA-N 376.460 2.594 0 40 GFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1C[C@@H]1c1ccccc1F 69574011 XKXXUWNIVBDHOF-HUUCEWRRSA-N 391.420 2.596 0 40 GFAB CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 69976796 RVPQDQOHWGOWRS-HXUWFJFHSA-N 382.512 2.665 0 40 GFAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 71802799 BFGXQTLYACGMDN-HNNXBMFYSA-N 376.428 2.582 0 40 GFAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccc3nccnc3c1)C2 72347326 SUKQBJSLNICNLE-OAHLLOKOSA-N 390.491 2.650 0 40 GFAB COc1c(C)cccc1CN1CC[C@@H](c2nn(CCN(C)C)c3nccnc23)C1 72391697 NEYXBAIFEAIWHS-QGZVFWFLSA-N 394.523 2.694 0 40 GFAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1c[nH]c(=O)n(Cc2ccco2)c1=O 77099839 QMVMZKHXYJDSPR-UHFFFAOYSA-N 397.284 2.588 0 40 GFAB COc1cc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C=O)cc(OC)c1OC 78549315 XYKRNAKYHAEBFG-HNNXBMFYSA-N 384.388 2.749 0 40 GFAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 79479504 QBMKBQUQDQDEMJ-IBGZPJMESA-N 386.492 2.874 0 40 GFAB O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cccnc1S 84358137 FLNINTYGSJFJEY-UHFFFAOYSA-N 381.251 2.834 0 40 GFAB CCOC(=O)N[C@H](CNC(=O)c1noc(-c2cc(F)ccc2F)n1)CC(C)C 84794373 OQCFZTGJUJLCMP-LBPRGKRZSA-N 396.394 2.905 0 40 GFAB Cc1nc([C@@H]2CCCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)C2)n[nH]1 95966358 DYPQJFKQKHDZLG-CQSZACIVSA-N 390.871 2.877 0 40 GFAB COc1cccc(-c2cc(C(=O)Nc3cnn(C4CCOCC4)c3)n(C)n2)c1 96123364 APNIPUVJPHZEIB-UHFFFAOYSA-N 381.436 2.896 0 40 GFAB Cn1nnnc1COc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 96191992 OSVZLZGMPWTWEH-UHFFFAOYSA-N 378.436 2.642 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2)C3=O)cc1 96202906 HSMRSSMOUNUTQF-UHFFFAOYSA-N 398.528 2.949 0 40 GFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c(Cl)c1 98212469 IOZKNBMWIVVUEK-DLBZAZTESA-N 397.822 2.580 0 40 GFAB CN1CCN(CC(C)(C)CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)CC1 100763476 MDQRYZVMQQUSMX-SFTDATJTSA-N 389.559 2.914 0 40 GFAB CC(C)n1[nH]cc/c1=N\C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 102150346 QQDXUWDJGHAZOD-FIKYGGOLSA-N 393.373 2.934 0 40 GFAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)N1CCOCC1 214304720 AOLIPSUVLXIYMA-SFQUDFHCSA-N 382.441 2.735 0 40 GFAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217480799 AZLAMWKYNJQVSI-KGLIPLIRSA-N 392.477 2.871 0 40 GFAB COC[C@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217613794 NGMNBJNCVPKLJQ-UONOGXRCSA-N 392.477 2.871 0 40 GFAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224089464 PFSGMYUSBAYAEC-KRWDZBQOSA-N 396.487 2.944 0 40 GFAB COc1cc(OC)c(NC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1Cl 224140210 PPLZHXXHSXHKRE-UHFFFAOYSA-N 394.863 2.923 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21 225124552 YKFRUFLRXSVJDY-UHFFFAOYSA-N 394.518 2.790 0 40 GFAB Cc1ccc(C)c(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)c1 225354476 RVMFEGPXWZNRRP-UHFFFAOYSA-N 384.567 2.861 0 40 GFAB O=C(Cc1ccc2c(c1)OCO2)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238887836 QHBPPEMXHGMEON-IAGOWNOFSA-N 377.400 2.751 0 40 GFAB CNC(=O)c1sc2nc([C@]3(C)CCCN(c4ccnc(C)n4)C3)ccc2c1N 257309831 UCOHRPLIGXWUKJ-HXUWFJFHSA-N 396.520 2.895 0 40 GFAB CCOC(=O)[C@@]12CNCC[C@@H]1O[C@@H]1c3cc(OC)ccc3OC(C)(C)[C@H]1C2 257310091 UDQMTXUWGKOQFH-JWVYWZTKSA-N 375.465 2.855 0 40 GFAB COCCN1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 257331154 XRPQAISIBXEUIT-LJQANCHMSA-N 376.526 2.580 0 40 GFAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N(CC)CC)c(C)n3n2)C1 257340284 ZFJDWQZLIDEERS-KRWDZBQOSA-N 399.539 2.873 0 40 GFAB C[C@]1(O)CN(C(=O)COc2ccc(F)cc2F)CC[C@@H]1Oc1ccccc1 257341883 ZMHWOWOXGGMPAN-ICSRJNTNSA-N 377.387 2.775 0 40 GFAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 390825991 WUNHZAQQDICQIF-KDOFPFPSSA-N 386.427 2.583 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)C1CCCCC1 408635467 BRUOBCIRHZXYQN-UHFFFAOYSA-N 380.510 2.606 0 40 GFAB CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 409115175 JBYPNVPHCXUISQ-UHFFFAOYSA-N 383.853 2.760 0 40 GFAB O=C(NCc1ccc(-c2cccnc2)cc1)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 570258913 NQXAKICDIUVHIH-NJYVYQBISA-N 381.476 2.820 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ccncn2)C1 575609599 NKKREOVWYOYAED-CYBMUJFWSA-N 387.383 2.728 0 40 GFAB COc1ccc(Br)cc1/C=C\C(=O)N(CC(=O)O)C1CCOCC1 584908010 ZWHHLQJIJSQNNK-DJWKRKHSSA-N 398.253 2.563 0 40 GFAB O=C(NCCn1cc(-c2cccnc2)cn1)C1(c2ccccc2)CCOCC1 585148345 BDCSWYFPUIISNE-UHFFFAOYSA-N 376.460 2.810 0 40 GFAB C[C@@H]1CN(Cc2cccc(CNc3ccc4nnc(C5CC5)n4n3)c2)CCO1 685904875 ALZKCPRIVRXWEG-OAHLLOKOSA-N 378.480 2.835 0 40 GFAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N[C@H]1CCNC1=O 1131447854 KSVRSUHXYOHWEL-SFHVURJKSA-N 394.862 2.740 0 40 GFAB O=C(Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)c1ccc(O)cn1 1593247849 GXXRJIPXNFYGTB-UHFFFAOYSA-N 388.387 2.799 0 40 GFAB CCC(CC)c1cc(CNC(=O)N2CCC3(CC2)NC(=O)[C@H](CC)O3)on1 1615591762 SPRWBXPEWWUJGG-INIZCTEOSA-N 378.473 2.505 0 40 GFAB CS(=O)(=O)c1cccc2sc(N3CC(Cn4cc(Cl)cn4)C3)nc12 1889175216 FUXKZEOFCQTONW-UHFFFAOYSA-N 382.898 2.686 0 40 GFAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ncccn1 2659148 JCQLTPJMQYEVBF-UHFFFAOYSA-N 389.444 2.850 0 40 GFAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)c1C 3553340 AOYGLULWQKHXQP-UHFFFAOYSA-N 377.462 2.958 0 40 GFAB COCCCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2ccccc2c1=O 4160937 DQQPUXBHRDLQEC-HNNXBMFYSA-N 389.521 2.926 0 40 GFAB O=C(CSc1nnc(NC(=O)c2cccs2)s1)NCc1ccco1 4328664 QCSKBELANBZZEC-UHFFFAOYSA-N 380.476 2.853 0 40 GFAB CCCCc1nc(SCc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4341242 GSZSNSFNAVJRMA-UHFFFAOYSA-N 388.468 2.801 0 40 GFAB O=C(NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1)c1ccccn1 4682411 CLLGNPSIWZHPAI-UHFFFAOYSA-N 381.432 2.924 0 40 GFAB Cc1ncc(C[n+]2csc(CCOC(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)c2C)c(N)n1 4748209 CYBLJVGBDWMZJC-ZMSDIMECSA-N 387.529 2.595 0 40 GFAB COc1cc(C2=NO[C@H](C(=O)N3[C@@H](C)CCC[C@@H]3C)C2)cc(OC)c1OC 5030923 NSTZUTOUKFVZJS-LXIYXOSZSA-N 376.453 2.995 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)c1 5659374 PABPAPYQXOJKRL-UHFFFAOYSA-N 398.598 2.533 0 40 GFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccnc2)o1 6100447 YHVVECQCJCWHEJ-INIZCTEOSA-N 382.445 2.540 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2N)cc1 6999651 JJOZZXWALWIGQG-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB O=C(Cn1cnc2ccccc2c1=O)OCCCc1nc(-c2ccccc2)no1 7783158 OLDLMMPOCBKGMU-UHFFFAOYSA-N 390.399 2.623 0 40 GFAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)c(OC)c1 7974014 UPRNIYFVCBQBRR-UHFFFAOYSA-N 397.475 2.667 0 40 GFAB CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccccc2OC)cc1 7985563 FTUCVJIWRYOIRV-CYBMUJFWSA-N 385.420 2.561 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc2c(c1)OCCO2 8072486 FBJHRSIHWPGZHA-UHFFFAOYSA-N 390.823 2.831 0 40 GFAB COc1ccccc1OCCOc1ccc([C@@H]2CC(=O)Nc3ncnn32)cc1 8237517 IXZBUFPJVPDQSC-INIZCTEOSA-N 380.404 2.676 0 40 GFAB COc1ccc(-c2nc(CSc3nc(N)cc(=O)[nH]3)cs2)cc1OC 8895296 ZKHTUWGRAINKLW-UHFFFAOYSA-N 376.463 2.785 0 40 GFAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)NCCc1ccc(O)cc1 9421206 IHORUFAOQRBFBA-UHFFFAOYSA-N 377.857 2.553 0 40 GFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C 10112297 WGODJKCQMSCAQR-UHFFFAOYSA-N 379.434 2.990 0 40 GFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 10833745 WFRMBIKVOXVMGU-OAHLLOKOSA-N 396.896 2.869 0 40 GFAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(N3CCCC3)cc2)c1=O 12118013 VRBWZSKUGFFLCT-UHFFFAOYSA-N 395.488 2.793 0 40 GFAB Cc1cc(C(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)nn1C 12229251 WVHICMCRGRPLES-UHFFFAOYSA-N 379.436 2.825 0 40 GFAB COc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c1 12471550 RLEIYAQXWFKGBJ-UHFFFAOYSA-N 397.456 2.821 0 40 GFAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)NCCc1ccc(F)cc1 12527173 LHYRDDTXTMTDTB-UHFFFAOYSA-N 380.427 2.585 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCCCC2)CC1 12593598 IHUPSHDGTMSSJZ-UHFFFAOYSA-N 379.526 2.677 0 40 GFAB COc1ccccc1OCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 12768367 ZLEXGSIDUYNGJQ-UHFFFAOYSA-N 384.480 2.645 0 40 GFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1 12871609 OPCXYTVEAQOAEF-UHFFFAOYSA-N 379.507 2.913 0 40 GFAB O=C(c1ccco1)N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 12911469 ZXKPKFRPTKJBTP-FQEVSTJZSA-N 381.476 2.791 0 40 GFAB CN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 12923073 DWMWVJSCZMDBQJ-UHFFFAOYSA-N 381.425 2.687 0 40 GFAB CCOCCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC 14017421 AHISISMJJFSTKT-UHFFFAOYSA-N 383.539 2.730 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(-c3ccc[nH]3)o2)c(C)c1 14095207 QHXHGAXPYSQXLR-UHFFFAOYSA-N 399.476 2.837 0 40 GFAB CC(=O)N[C@H](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)c1ccccc1 14183774 DMSGOZBCPQCRML-GOSISDBHSA-N 387.867 2.971 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 14220378 NMFUJZUHPVWZFU-LBPRGKRZSA-N 381.450 2.761 0 40 GFAB C[C@@H](OC(=O)c1ccccc1SCC(N)=O)C(=O)Nc1ccc2c(c1)CCC2 16334314 AXLDFNRWOIVCMQ-CYBMUJFWSA-N 398.484 2.937 0 40 GFAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19018245 HITAPCOATBGGRD-LJQANCHMSA-N 394.475 2.757 0 40 GFAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)n1 19285837 RTUWZSMFWRUQFI-GFCCVEGCSA-N 386.525 2.955 0 40 GFAB CN(C)CCn1nc([C@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 19583055 JKEPTJROHNSURG-KRWDZBQOSA-N 384.528 2.674 0 40 GFAB COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1OC 19590455 HSCHTLIFZBLGOY-HNNXBMFYSA-N 396.491 2.502 0 40 GFAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)CC(C)(C)C)CC2)n1 19697487 JOSUBGMGKRZELM-HNNXBMFYSA-N 387.528 2.606 0 40 GFAB Cc1ccc2c(NC(=O)[C@H](c3ccc(Cl)cc3)N3CCOCC3)n[nH]c2n1 19716649 YSTFHLZIMSJANY-INIZCTEOSA-N 385.855 2.932 0 40 GFAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)cc(=O)c2c1 21805982 MMOHIRTYRAADRK-KRWDZBQOSA-N 396.443 2.752 0 40 GFAB Cc1cccc2c(=O)n(CCC(=O)N3CCN(Cc4cccs4)CC3)cnc12 22692067 MRGBSUDXLQCURY-UHFFFAOYSA-N 396.516 2.501 0 40 GFAB Cc1ccc(C)c(OCCSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)c1 25060342 WGFUAXCMULTXOY-CQSZACIVSA-N 381.523 2.505 0 40 GFAB O=c1/c(=C/c2cccc(Cl)c2)sc2nc([C@@H]3COc4ccccc4O3)nn12 27021058 ICYIBZLUKGNOGC-HVVQPJKBSA-N 397.843 2.865 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(-c2cccs2)no1 32753253 LJYJWGNFZMIWBT-UHFFFAOYSA-N 378.479 2.969 0 40 GFAB COc1ccccc1[C@@H](CNC(=O)c1cnn2c(C)cc(C)nc12)N1CCCC1 32795220 MMKLYULRUVAHLV-LJQANCHMSA-N 393.491 2.922 0 40 GFAB COc1ccccc1CNC(=O)c1snc(C(=O)NCc2ccccc2)c1N 33171828 MLRNEASORKSIQO-UHFFFAOYSA-N 396.472 2.594 0 40 GFAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(C)c1 35485503 ADULOBBAOOBCHI-PMACEKPBSA-N 397.544 2.886 0 40 GFAB Cc1ccn2c(=O)c(C(=O)NCc3cccc(OCC(F)(F)F)c3)cnc2c1 40111923 TWIXCXHHLMZYJD-UHFFFAOYSA-N 391.349 2.874 0 40 GFAB O=C(NCc1csc(Br)c1)C1CCN(c2ncccn2)CC1 40134172 QTFJCIVBFBXECT-UHFFFAOYSA-N 381.299 2.833 0 40 GFAB Cc1cccc(NC(=O)C2CCN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)n1 40154608 APZRTHWGKGUXSL-INIZCTEOSA-N 398.511 2.845 0 40 GFAB CN1CCN([C@@H](CNC(=O)Cc2ccc3c(c2)CCC3)c2cccs2)CC1 44719476 PVMZBNRCBALGLM-FQEVSTJZSA-N 383.561 2.884 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCC2)cc1 45116094 PZHDLSZDQSDSMA-HXUWFJFHSA-N 393.491 2.922 0 40 GFAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(Br)c[nH]1 48232306 XRHQGTCKVGKBAL-OAHLLOKOSA-N 393.237 2.534 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1c(=O)cnc2cc(C(=O)NC3CC3)ccc21 49008020 HXSYIOLSEQXQJJ-UHFFFAOYSA-N 390.443 2.544 0 40 GFAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 55268860 REQYNVUYKWXWOG-UHFFFAOYSA-N 392.477 2.873 0 40 GFAB CCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 56071296 FCEVZAYNJCWBRO-UHFFFAOYSA-N 388.489 2.863 0 40 GFAB O=C(CN1CCC[C@H](COCc2ccccc2)C1)NCc1ccc2c(c1)OCO2 56908454 VUHNTQLDAGATDD-FQEVSTJZSA-N 396.487 2.960 0 40 GFAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1cccnc1)CO3 57143068 FPBPMTXWBUEKNW-UHFFFAOYSA-N 380.400 2.564 0 40 GFAB CC(=O)Nc1nc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cs1 58201191 RDKXGDWKZJUXIM-ZDUSSCGKSA-N 378.523 2.805 0 40 GFAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N(C)CCCc1ccccc1 58222852 KBIUAXQIIFXRPL-UHFFFAOYSA-N 376.460 2.774 0 40 GFAB CN(C)[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(N3CCCC3=O)cc2)C1 67203773 WUCHYHGFAUBWIM-LJQANCHMSA-N 393.487 2.712 0 40 GFAB Cc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 67320509 GYCUCPGPSGCULJ-INIZCTEOSA-N 395.434 2.633 0 40 GFAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C)c1C 72301376 GQNPTXGTFIHRNV-KRWDZBQOSA-N 390.480 2.928 0 40 GFAB CN(C(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79440363 YYXPLXZRAIALIV-RHSMWYFYSA-N 376.453 2.684 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(c3ccc(O)cc3)CC2)c1 89518851 OFWZWTJVYAWGDH-HNNXBMFYSA-N 385.464 2.559 0 40 GFAB O=C(O)c1csc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 89793889 JZYNUVFMIFLKNZ-UHFFFAOYSA-N 386.408 2.585 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 90612574 SZSWLIBHXJLOPI-GOSISDBHSA-N 397.406 2.808 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCCc1csc(-n2cccn2)n1 90703641 FTZPGUMVHMDNAM-UHFFFAOYSA-N 382.898 2.812 0 40 GFAB COc1cc(CNC(=O)c2ccc(C(=O)O)cc2)ccc1OC[C@H]1CCCO1 95389797 XJBQIZVVOAUPLR-QGZVFWFLSA-N 385.416 2.881 0 40 GFAB NC(=O)Cn1cc2c(n1)[C@H](NC(=O)C1CCC(c3ccccc3)CC1)CCC2 96002880 OCTMVRQKQOAUEP-FAFZWHIHSA-N 380.492 2.836 0 40 GFAB O=C1CCc2cc(S(=O)(=O)Nc3cccc(Cn4ccnc4)c3)ccc2N1 96136941 UWRZHDHNTKZBPQ-UHFFFAOYSA-N 382.445 2.617 0 40 GFAB COC(=O)C[C@H](c1ccncc1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96223421 IWNGZMJVKRNEJI-MRXNPFEDSA-N 379.416 2.731 0 40 GFAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)C(=O)N1CC 96261614 FYLUAUMGHIZIMC-KGVIQGDOSA-N 382.508 2.690 0 40 GFAB Cc1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cn1-c1nccs1 96266838 SXGBNDGXYGJHLN-UHFFFAOYSA-N 394.504 2.848 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc(C)c1 96520918 BBYDFYHOFCYHDF-SNVBAGLBSA-N 386.105 2.907 0 40 GFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 100889762 FQJXTMSMRXNBOF-IRXDYDNUSA-N 397.822 2.580 0 40 GFAB C[C@@H](O)CNC(=O)c1cccc(OCc2ccn(-c3c(F)cccc3F)n2)c1 154368665 FALLWHXFJBCDPC-CYBMUJFWSA-N 387.386 2.840 0 40 GFAB COC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218546331 YQANDJHLJQZUBG-AOIWGVFYSA-N 378.421 2.791 0 40 GFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220754842 XLKZFAYRKPLPBX-CHWSQXEVSA-N 378.473 2.641 0 40 GFAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 225134473 CCSZKSBBJVHHTP-CYBMUJFWSA-N 392.477 2.956 0 40 GFAB COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2C)cc(C(=O)OC)c1 225596083 SWUVHVIMUCUEMA-UHFFFAOYSA-N 381.381 2.508 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)cc1 225716152 GDJOSTZQMJMOTP-CQSZACIVSA-N 378.475 2.622 0 40 GFAB CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cn1 225915181 QUAJJQXMZONLAZ-UHFFFAOYSA-N 385.464 2.712 0 40 GFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3Cl)n2)cn1 238823581 DFGKFTAWMZJKTQ-UHFFFAOYSA-N 394.840 2.662 0 40 GFAB CCOc1ccc(C)cc1S(=O)(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 244909765 AULZDYDZSQVRPA-GOSISDBHSA-N 388.489 2.897 0 40 GFAB Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(O)cc3)[C@H]2C(=O)C(F)(F)F)cc1 252445492 PHHDHGHWGZWMBX-HDMKZQKVSA-N 394.349 2.647 0 40 GFAB NS(=O)(=O)c1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 252502840 UUOWOQAGBLMIRU-UHFFFAOYSA-N 394.416 2.585 0 40 GFAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2c[nH]cn2)C1 257237056 HEYIOGVGLDXCLK-OAHLLOKOSA-N 381.484 2.917 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2cccc(OC(C)C)c2)C1 260507468 LUFGEJDSCZARFF-SFHVURJKSA-N 396.553 2.584 0 40 GFAB Cc1cc(F)ccc1NC(=O)C[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1 408736602 DNBQDDTVFWHFPN-QGZVFWFLSA-N 386.379 2.984 0 40 GFAB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 409024827 XIKKHSARDLMADI-SFQUDFHCSA-N 396.447 2.966 0 40 GFAB CC1(C)C(=O)NCCN1CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 533298056 YLIMXHCVYJYEKY-UHFFFAOYSA-N 378.476 2.530 0 40 GFAB Cc1ccc(NC(=O)c2cccc3oc(O)nc23)cc1C(=O)N1CCOCC1 567060204 RSAZZCCGZUKJTP-UHFFFAOYSA-N 381.388 2.567 0 40 GFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575611630 FBIUTWBMZLOSHQ-INIZCTEOSA-N 399.401 2.839 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nccnc2-c2ccoc2)cc1Cl 575621422 XKWCDMUUYIZIQE-UHFFFAOYSA-N 379.825 2.877 0 40 GFAB CCN1CCN(C(=O)CCN)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183636 WHUQPQQYIHZQKT-OAQYLSRUSA-N 393.531 2.860 0 40 GFAB CC(C)(C)OC(=O)N1CCC(O)([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)CC1 601012565 NBKAMRXIAWQINC-CQSZACIVSA-N 398.500 2.575 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1Cc2cc(F)ccc2O1 607108165 RTBLIOUDFICHMZ-OAQYLSRUSA-N 396.462 2.869 0 40 GFAB CCOC(C)(C)C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 630195023 BNJYKESSJIIHAM-KGLIPLIRSA-N 384.270 2.891 0 40 GFAB O=C(Cc1cnn2ccccc12)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 648351287 PZBIATWMDPHDOJ-CQSZACIVSA-N 377.370 2.956 0 40 GFAB CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772595069 UOEYLWILIZMTAA-CSMYWGQOSA-N 388.405 2.765 0 40 GFAB Cc1cc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)n2nccc2n1 1775978186 OIRVLWBNMHHMND-UHFFFAOYSA-N 377.477 2.883 0 40 GFAB O=C(c1cscn1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995455 WWVJPJKHESBFSZ-SNVBAGLBSA-N 383.271 2.627 0 40 GFAB Cc1ncnc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)c1C 1776000915 PVPBIYHVFYKDKF-CYBMUJFWSA-N 378.274 2.941 0 40 GFAB CCNc1nc(NCC)n2c(n1)nc(=S)n2CN1CCCc2ccccc21 623046 GLGWLOJAPVLZSQ-UHFFFAOYSA-N 384.513 2.929 0 40 GFAB Cc1nc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc1C 24600961 NUABXUZTPRTJKK-UHFFFAOYSA-N 399.442 2.934 0 40 GFAB CCOC(=O)c1ccc(N[C@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)cc1 2050591 NIXKATASQSLITG-INIZCTEOSA-N 390.358 2.623 0 40 GFAB COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)c(Cl)c1 1397733 PEHRYNCHMWUNMS-MNOVXSKESA-N 393.248 2.615 0 40 GFAB Cc1c(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)cccc1C(N)=O 55838915 XROPLFAVXHPYHV-UHFFFAOYSA-N 376.342 2.701 0 40 GFAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(C(F)(F)F)c2)c1 102014587 ZRRYLPVTISPRSX-VGWMRTNUSA-N 391.349 2.617 0 40 GFAB CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 7217173 DYJNZHRBSJKHSL-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 108074545 HMAOSAKWFKAAGI-QGTPRVQTSA-N 387.480 2.647 0 40 GFAB COC1CCC(N(C)S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 96000224 MWMKUUWXAAHQFE-CTWPCTMYSA-N 394.537 2.510 0 40 GFAB C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1 10229155 IIRXKGHGNKOTBS-DYVFJYSZSA-N 376.478 2.877 0 40 GFAB COc1ccccc1CNC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 58222748 OMBMEWFWIRGEFM-UHFFFAOYSA-N 378.432 2.851 0 40 GFAB CC(C)[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1nc2ccccc2[nH]1 12547370 BRNYPIYMJWOJSS-LJQANCHMSA-N 377.448 2.730 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H](NC(=O)c1cccs1)C(C)C 45400988 LHIXOCQNXOFHEZ-MRXNPFEDSA-N 394.518 2.853 0 40 GFAB CCOc1cc(C(=O)NCCN2CCOCC2)cc(-c2ccccc2)c1OC 28835941 FXAMEPOLLMAPCD-UHFFFAOYSA-N 384.476 2.823 0 40 GFAB CC[C@@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)c1ccc(C(C)C)cc1 36612415 CWMSCIWGLYHMLN-GOSISDBHSA-N 398.507 2.897 0 40 GFAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccc(F)cc1 45693083 CELTXSGVEDOSNY-MRXNPFEDSA-N 385.374 2.708 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1 57414196 IHNZYEQSKPKLES-FQEVSTJZSA-N 377.444 2.526 0 40 GFAB COc1ccc(CCC(=O)OCC(=O)NC(=O)c2ccc(Cl)cc2)cc1 3277144 FHSIZADOFSENTN-UHFFFAOYSA-N 375.808 2.781 0 40 GFAB CC(C)Cn1nc(C(=O)OCC(=O)Nc2ccccc2F)c2ccccc2c1=O 2652866 UUTLWWVHOMCKCI-UHFFFAOYSA-N 397.406 2.987 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N[C@H](C)c2cc(O)nc(N3CCC(C)CC3)n2)CC1 100775212 RBWYSOTVHKCAMH-OAGGEKHMSA-N 376.501 2.801 0 40 GFAB Cc1nc2cc(F)cc(C(=O)NCc3ccnc(N4CCOCC4)c3)c2nc1C 48235087 HKWFRJZLKGBXPC-UHFFFAOYSA-N 395.438 2.547 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3S2)N2CCOCC2)cc1 12748220 REOMZGBTVPHTBG-TZIWHRDSSA-N 398.528 2.902 0 40 GFAB CC(C)n1ncc2cc(C(=O)NCc3ccccc3CN3CCOCC3)cnc21 12774490 ZYUUGLMZFSFPEC-UHFFFAOYSA-N 393.491 2.774 0 40 GFAB CN(Cc1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 12792266 QYLXEWVZDVHFPG-UHFFFAOYSA-N 375.787 2.954 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1=O 12770638 XDRWXBXVUHXPEE-MRXNPFEDSA-N 393.443 2.596 0 40 GFAB COc1cc(CN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)ccc1OC(F)F 12784119 LMHFLEHIEXGHLO-UHFFFAOYSA-N 392.358 2.900 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1n[nH]cc1Cl 28224994 DRBSCZJPERZMMQ-UHFFFAOYSA-N 382.873 2.880 0 40 GFAB COCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 9234479 NJGAYTIFATUOBW-UHFFFAOYSA-N 396.443 2.834 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)n1cccn1 13003147 BMQRKVHYBPYYGD-OAHLLOKOSA-N 376.482 2.566 0 40 GFAB CCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(OC)c(Cl)cc1Cl 4013221 KPBJHPLSAFDSIY-DEOSSOPVSA-N 395.308 2.558 0 40 GFAB NC1=N[C@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1 114944684 NIDRNVHMMDAAIK-XTZNXHDOSA-N 390.415 2.515 0 40 GFAB in-vitro O=C(Nc1ccc(F)cc1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13691928 IQIFGHUKLSFJGT-CQSZACIVSA-N 377.441 2.513 0 40 GFAB COc1ccc(-c2nn3c(nc2=O)SC[C@]3(O)c2ccc(Cl)cc2)cc1 27526377 XAJCRYSZXWRSCO-SFHVURJKSA-N 387.848 2.766 0 40 GFAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 5242219 IIVSGLAGBKLNIF-VBQJREDUSA-N 380.391 2.955 0 40 GFAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2ccnc2)cc1 5266993 AOFUCPBRKGHPND-OAHLLOKOSA-N 398.488 2.614 0 40 GFAB COc1ccc(CCNC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1 22192359 NIMBHOCRZRBABA-UHFFFAOYSA-N 388.386 2.765 0 40 GFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4C)[C@H]3C2=O)cc1C 4484059 RCENVAMDHBFNCK-RTBURBONSA-N 391.431 2.544 0 40 GFAB CCCN(Cn1nc(/C=C/c2ccccc2)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 14197183 FGDKUVNARITAEA-ROJDOSBLSA-N 392.550 2.968 0 40 GFAB CCc1ccccc1NC(=O)[C@@H](Cc1ccc(OC)cc1OC)c1nn[nH]n1 5667806 IIISEMBNUUKRCF-INIZCTEOSA-N 381.436 2.744 0 40 GFAB Cc1cc(C)cc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 6789949 GNMGSGFAJWJVKP-GOSISDBHSA-N 389.521 2.749 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C 4816415 FKGJILZEQBPSEO-UHFFFAOYSA-N 399.476 2.631 0 40 GFAB O=C(COc1ccc(F)cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6811037 PSUMAIJWGCCIHT-INIZCTEOSA-N 395.427 2.560 0 40 GFAB COc1ccc(-c2nnc(SCC(=O)c3ccc(CNC(C)=O)o3)o2)cc1 6905372 CNTJVLNZAKOXDK-UHFFFAOYSA-N 387.417 2.949 0 40 GFAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1Cl 15244314 DKMGSCHIJRZXSA-UHFFFAOYSA-N 377.827 2.918 0 40 GFAB CC(=O)Cc1nsc(NC(=O)c2nnn(Cc3ccccc3)c2C(C)C)n1 67225431 SJOTXDDPLGSANE-UHFFFAOYSA-N 384.465 2.685 0 40 GFAB Cc1cc(OCC(=O)NC[C@@H](c2ccco2)N2CCOCC2)ccc1Cl 15831843 QIOLWEXDDSGNTH-KRWDZBQOSA-N 378.856 2.810 0 40 GFAB Cc1cc(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c(C)n1C 7509524 YNFPNXNKESYCHC-MRXNPFEDSA-N 391.855 2.821 0 40 GFAB O=C(CSCc1cccc(Cl)c1)OCn1nnc2ccccc2c1=O 7780056 GNUGJBGBDZHPAL-UHFFFAOYSA-N 375.837 2.879 0 40 GFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)CCOc2ccccc21 7843422 YTKPHMSXXZWOKU-UHFFFAOYSA-N 390.443 2.646 0 40 GFAB COc1cc(C(=O)N(CCC(=O)O)C2CC2)ccc1OCc1c(C)noc1C 95969858 GRMOUIDIYIEXMI-UHFFFAOYSA-N 388.420 2.958 0 40 GFAB Cn1nc(C(=O)/N=c2/sccn2Cc2ccccc2F)c2ccccc2c1=O 8062331 YEPROUOGNSUOFX-LSDHQDQOSA-N 394.431 2.725 0 40 GFAB C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 8167603 IPPPJYBBNBGLJD-CQSZACIVSA-N 380.897 2.928 0 40 GFAB CCOCCCNC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 8945630 RBTGQTLZFRQOHI-UHFFFAOYSA-N 385.489 2.976 0 40 GFAB CCOc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1 19330295 IOQKSRLMIMBFOZ-UHFFFAOYSA-N 377.452 2.520 0 40 GFAB C[C@@]1(C2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)NC(=O)NC1=O 72306248 XIWCGQSOALFRTI-IBGZPJMESA-N 399.476 2.652 0 40 GFAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1ccccc1C(F)(F)F 62006794 LNDQFOTXTSIGER-UHFFFAOYSA-N 398.410 2.910 0 40 GFAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)cc1OC 225924097 FXFXVTLVBFKUMF-UHFFFAOYSA-N 392.477 2.541 0 40 GFAB CSc1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 409367055 BVRQPJQYVXWYCW-UHFFFAOYSA-N 378.519 2.851 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCC2)cc(N2Cc3ccccc3C2)n1 225897479 REDLFDHAYQHIGH-UHFFFAOYSA-N 398.536 2.530 0 40 GFAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@H]1c1ccccc1 408731493 LCEWUCOCTSRBMT-QIPRVMPFSA-N 394.452 2.500 0 40 GFAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)CCCn1ccnc1)c1ccccc1O2 72327816 FQIKMYFASMJHHR-PGRDOPGGSA-N 396.491 2.684 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1 44947825 WJTUBWAAXYUVLS-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218650780 GPGFIWGTIGBEPS-OFQRWUPVSA-N 386.256 2.715 0 40 GFAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cc3c(cc2O)OCO3)cc1 48250595 SHZDQQJUEGLDSQ-AWEZNQCLSA-N 399.403 2.674 0 40 GFAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223873098 XBCXBPWLTWCMBE-UONOGXRCSA-N 377.462 2.743 0 40 GFAB Cc1ccc(Cl)cc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 223678797 IQBUKTGLMQGQNA-UHFFFAOYSA-N 398.887 2.912 0 40 GFAB Cc1n[nH]c(SCCNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1 225904123 GOPTVCYSRDYNMK-OAHLLOKOSA-N 393.944 2.887 0 40 GFAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1S(=O)(=O)N(C)C 222909848 UFZCEKFUYYISCX-UHFFFAOYSA-N 391.474 2.808 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)c(Cl)cc21 223360691 MXTMAALCVWXKIS-UHFFFAOYSA-N 380.853 2.789 0 40 GFAB C[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(F)cc1 224738049 WVXPTUQKECHBOR-ZDUSSCGKSA-N 382.432 2.604 0 40 GFAB O=C(NCC(=O)N1CCCCC1)c1ccccc1OCc1cn2ccccc2n1 40121184 JWZMNELYIPHLPM-UHFFFAOYSA-N 392.459 2.656 0 40 GFAB CCOC(=O)c1csc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)n1 225716810 VWRFYTVNRNEICI-LLVKDONJSA-N 379.463 2.851 0 40 GFAB O=C(c1cccc(F)c1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96078187 QFTXTBPMCLQXPQ-UHFFFAOYSA-N 383.467 2.976 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)c2cnc3ccccc3c2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257284738 PEBZNMSOUODBSB-WRHDZBKDSA-N 395.503 2.895 0 40 GFAB COCc1ccc(NC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 370079596 FENNSFNJQJQYGX-JOCHJYFZSA-N 383.492 2.934 0 40 GFAB CCO[C@H](CS(=O)(=O)N1CCC2(CC1)OCCc1ccccc12)C1CC1 625243369 LAZQBUQPDPYCLP-LJQANCHMSA-N 379.522 2.695 0 40 GFAB CO[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1C)c1ccccc1C 96105087 VPFKUAUOFBIUCK-SFHVURJKSA-N 376.478 2.928 0 40 GFAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@@H]2C(=O)N[C@H]2CCC2(F)F)C1 585107351 SIFBEOKJUBCRCA-QWQRMKEZSA-N 381.423 2.838 0 40 GFAB Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1I 79057404 VYMNAUSHPPPTFO-DGCLKSJQSA-N 384.261 2.955 0 40 GFAB CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2ccc(F)cc2F)CC1 83881683 BNWOMWBSDCNHFO-HXUWFJFHSA-N 399.441 2.700 0 40 GFAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(OC)ccc3OC)n2)cc1 5451645 VULVTMSZAHELFJ-UHFFFAOYSA-N 381.388 2.511 0 40 GFAB Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)N3CCc4ccccc43)n2)c(C)o1 12183733 BOHYVFVRIDDDNB-CYBMUJFWSA-N 378.432 2.853 0 40 GFAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O 13857248 KKEKXWAPTMGFBJ-OAHLLOKOSA-N 392.411 2.607 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2)cc1 16691799 BHPATSCDGSOXQZ-OAHLLOKOSA-N 376.478 2.583 0 40 GFAB COCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(C)=O 19017488 KQDJRKMAJBHKLB-ZVDOUQERSA-N 376.472 2.948 0 40 GFAB O=C(c1ccccc1F)N1CCCc2cc([C@@H](O)CN3CCOCC3)ccc21 19347579 VOBYHIPHXXOKJK-NRFANRHFSA-N 384.451 2.784 0 40 GFAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccccn1 7495291 RTZOECWIITYCGN-SFQUDFHCSA-N 378.432 2.894 0 40 GFAB Cc1ccc(CNC(=O)Cc2cn3cccc(C)c3n2)c(O[C@@H]2CCOC2)c1 531575461 UHDOEAQFEYPJMQ-LJQANCHMSA-N 379.460 2.978 0 40 GFAB Cc1cccc(CCC(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)n1 19236088 JYWNNUQLVILNCK-UHFFFAOYSA-N 376.460 2.965 0 40 GFAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)Cc1ccccc1Cl 238966804 ZAOWJUJWHPVYDU-LJQANCHMSA-N 395.908 2.992 0 40 GFAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCc2nc3ncccc3cc2C1 2087077599 PMQUKHZEJAJPNB-UHFFFAOYSA-N 391.456 2.563 0 40 GFAB CC[C@@]1(C)CC2=C(CO1)S[C@@H]1N=NN(CC(=O)NCc3ccco3)C(=O)[C@H]21 35323861 MZTMBVBBWFQEPU-RYRKJORJSA-N 390.465 2.637 0 40 GFAB Cc1nc2c(c(=O)n1CC(=O)Nc1cccc(Br)c1)CCCC2 49404692 DMAXOZOTVWABAL-UHFFFAOYSA-N 376.254 2.832 0 40 GFAB CSc1nc(C2CCOCC2)cc(N2CCN(c3nccc(C)n3)CC2)n1 2298048973 ZEDFXRSRYZKZQD-UHFFFAOYSA-N 386.525 2.518 0 40 GFAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCn1cccn1 40072025 SWTMQDHPDUBIRN-QGZVFWFLSA-N 376.888 2.888 0 40 GFAB Cc1nn(C)c2ncc(C(=O)NCCNc3ccc(C(F)(F)F)cn3)cc12 40080779 MPEHMPVZMDASTM-UHFFFAOYSA-N 378.358 2.532 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 40071766 SNTPISGYAGXQHR-UHFFFAOYSA-N 385.574 2.610 0 40 GFAB CCOC(=O)c1ccc2c(c1)n(CC(=O)N(C)Cc1ccccc1)c(=O)n2CC 40062856 XUXHIJWVHDXFGG-UHFFFAOYSA-N 395.459 2.658 0 40 GFAB O=C(Nc1nccs1)C1CCN(C(=O)NCCc2ccc(F)cc2)CC1 40150077 KUKIBRUWLFVLPR-UHFFFAOYSA-N 376.457 2.885 0 40 GFAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 40149571 YNFLJPWBOCSBJZ-IBGZPJMESA-N 380.492 2.699 0 40 GFAB COc1ccccc1CN1C[C@@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O 32097386 MPHRNMDWKKDFIZ-INIZCTEOSA-N 392.411 2.789 0 40 GFAB CC(C)C[C@@H]1CC(=O)N(C2(C(=O)NCc3cccnc3)CCSCC2)C1 101377132 LITPJVYDNGNCKJ-QGZVFWFLSA-N 375.538 2.858 0 40 GFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 102264987 SBCSYCLJYNUVJR-ZIAGYGMSSA-N 385.420 2.839 0 40 GFAB Cc1ccc(-c2nnc(CCC(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)o2)cc1 32777507 GKUVCPQDWZWGDV-ZDUSSCGKSA-N 384.392 2.844 0 40 GFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ncc(-c2ccccc2F)o1 32879931 UAARTIWXRIQEJI-SFHVURJKSA-N 393.418 2.852 0 40 GFAB C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)CCO1 41270798 JJCBSBTVMYJHKR-CQSZACIVSA-N 392.452 2.629 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)c3ccccc3)CC2)c1 22766753 WTAKZYLUYUAIOW-MRXNPFEDSA-N 390.505 2.771 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 42272786 WKRIALYQEVPFKZ-UHFFFAOYSA-N 391.832 2.824 0 40 GFAB COC(=O)c1ccc(N2C(=O)C(Cl)=C(N3CCc4ccccc4C3)C2=O)cc1 956197 LCALMEQNUBVBFE-UHFFFAOYSA-N 396.830 2.855 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1ccccc1Cl 24645182 LPXZWGORTNPBMO-UHFFFAOYSA-N 394.880 2.844 0 40 GFAB CCc1nc(S[C@H](C)C(=O)NC(=O)NC)nc(N)c1-c1ccc(Cl)cc1 24988394 GKIQEKUNQHCFBR-SECBINFHSA-N 393.900 2.878 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1 24984272 CLFIFDFIVLWCML-UHFFFAOYSA-N 385.508 2.942 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 4488714 AOWIXFQNVGMGPM-DXWTWGPWSA-N 377.437 2.638 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCC1 6408558 IAKGEQLBJHJVTH-NSHDSACASA-N 389.315 2.565 0 40 GFAB Cc1ccc(S(=O)(=O)CC(=O)CC(=O)C(=O)Nc2ccc(C)cc2C)cc1 104273468 MNEZJHCENZNEEB-UHFFFAOYSA-N 387.457 2.553 0 40 GFAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc2c1OCCO2 57115856 BFQVFOUHSMGQRT-UHFFFAOYSA-N 387.772 2.749 0 40 GFAB CC(=O)c1ccc(N2CCN(CC(=O)NCc3ccccc3Cl)CC2)cc1 57378461 AAPOEGHQIDYTLS-UHFFFAOYSA-N 385.895 2.981 0 40 GFAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)c1 57492120 KFNJKIZPWCJJPG-UHFFFAOYSA-N 399.516 2.993 0 40 GFAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 8412180 JURKKFQNKATWBS-UHFFFAOYSA-N 398.415 2.798 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 1916213 GXQCHZYSKSKUSW-UHFFFAOYSA-N 390.823 2.650 0 40 GFAB CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2094594 URZDPNCTZDVGKL-YVEFUNNKSA-N 387.432 2.809 0 40 GFAB biogenic O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22526307 KFUZGXYUOYLGAN-UHFFFAOYSA-N 376.453 2.681 0 40 GFAB COC(=O)/C=C/c1ccc(OC(=O)[C@H]2CC(=O)Nc3ccccc32)c(OC)c1 25456058 QPNQMWIOTGBSHZ-HQPKTYMTSA-N 381.384 2.913 0 40 GFAB CC(C)N1C[C@H](C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1=O 58147832 STDIUFKFHCPBEU-LJQANCHMSA-N 390.487 2.958 0 40 GFAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC(C)CC1)OCO3 2220976 BHBFOQJWCSFIPU-UHFFFAOYSA-N 387.436 2.744 0 40 GFAB O=C(NCc1cccnc1N1CCOCC1)N1CC=C(c2ccccc2)CC1 26385895 XZJWXEUBNGOBQW-UHFFFAOYSA-N 378.476 2.917 0 40 GFAB NC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 28329317 AXOMAFPSALOCLJ-SFHVURJKSA-N 395.459 2.994 0 40 GFAB COc1ccccc1CNC(=O)c1nc(COc2ccccc2NC(C)=O)no1 36360525 FSINVZGHIGVYPP-UHFFFAOYSA-N 396.403 2.546 0 40 GFAB COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC2(CCCCCC2)C1=O 11283906 CWHOWGCDJXNAET-UHFFFAOYSA-N 385.464 2.619 0 40 GFAB O=C(c1ccccc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914015 UUAUMLUSWXDBSG-CYBMUJFWSA-N 398.278 2.872 0 40 GFAB CCCC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)CC)nn3c(O)c2C1 100234698 ULUMOYBGYQTZLX-QGZVFWFLSA-N 399.495 2.583 0 40 GFAB COCCn1nnnc1[C@@H](CC(C)C)N1CCN(c2cccc(C)c2C)CC1 57670072 LZCYPTNTDQXJKD-HXUWFJFHSA-N 386.544 2.846 0 40 GFAB Cc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245044 OTIQISWZPXPJRA-UHFFFAOYSA-N 379.457 2.694 0 40 GFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc(F)cc2)cs1 2632869 XZFAICJIQNRHBM-UHFFFAOYSA-N 388.424 2.752 0 40 GFAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)cc1C 2640006 XOIPZINSIUZHCL-QGZVFWFLSA-N 386.492 2.972 0 40 GFAB aggregator CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1 2734546 XFWAGKHJHCGMCS-UHFFFAOYSA-N 390.461 2.895 0 40 GFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@@H]21 96010454 DIHVVYGVJHFMOP-HYVNUMGLSA-N 387.480 2.777 0 40 GFAB CCN(CC(=O)NCc1cc(OC)c(OC)cc1OC)Cc1cccc(F)c1 12745615 BMRUAGYQBHLBEP-UHFFFAOYSA-N 390.455 2.990 0 40 GFAB CCCCOC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 12796627 JPXALNDPCIWZDN-UHFFFAOYSA-N 394.353 2.944 0 40 GFAB COc1cccc(OC)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 3395036 RYLBSTZGGQEGHR-GFCCVEGCSA-N 387.388 2.659 0 40 GFAB CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1cccc(OC)c1 48301121 GICSRADQSXQCFK-UYAOXDASSA-N 388.508 2.646 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C[C@H]2CCCO2)CC1 22788322 SSHHFAUPTKILGS-WMLDXEAASA-N 396.329 2.573 0 40 GFAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)/C=C/c3ccc(Cl)cc3)no2)cn1 96001770 XMWVLTVDDAVMQQ-IEXSPKMKSA-N 399.838 2.737 0 40 GFAB Nn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1C1CC1 3484423 MQMWHOUXLRRZHZ-UHFFFAOYSA-N 379.489 2.867 0 40 GFAB O=C1CCCN1C(=O)COc1ccc(Br)cc1Br 3515661 LAQNVTXLUOTANQ-UHFFFAOYSA-N 377.032 2.739 0 40 GFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nccs2)CC1 12973682 LMQKZZPFJQIXOL-UHFFFAOYSA-N 377.413 2.673 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c1C 12944822 SLHQZVWTOCGFFF-FQEVSTJZSA-N 389.521 2.876 0 40 GFAB CCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1 20178587 BIESPSMCISPQTC-DHZHZOJOSA-N 393.443 2.596 0 40 GFAB COc1cc(/C=C/C(=O)N(C)CC(=O)NCc2ccco2)cc(Cl)c1OC 13041399 ILQQFELXTVXUAV-VOTSOKGWSA-N 392.839 2.738 0 40 GFAB COc1ccc([S@@](=O)N2CCN(c3ccccc3F)CC2)c(OC)c1C 4054099 YLDXBRPKZGHADJ-SANMLTNESA-N 378.469 2.996 0 40 GFAB O=C(CSc1nnnn1-c1ccc(O)cc1)NC12CC3CC(CC(C3)C1)C2 5053707 BGTQTFYUVREPRU-UHFFFAOYSA-N 385.493 2.545 0 40 GFAB C[C@H](NC(=O)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2)c1ccccc1 13731689 VJPKFAHSKASGTD-HOCLYGCPSA-N 387.505 2.613 0 40 GFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC(C)(C)C)c1 9313929 IOCBSPUJCIWNKJ-UHFFFAOYSA-N 375.494 2.838 0 40 GFAB CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 5489112 GTBODJGTICJEGL-SFHVURJKSA-N 391.475 2.703 0 40 GFAB C[C@H](C(=O)OCc1ccc(-n2cccn2)cc1)N1C(=O)c2ccccc2C1=O 14674955 AAVLATVQVJWDHD-CQSZACIVSA-N 375.384 2.600 0 40 GFAB O=C(Nc1ccc(N2CCOCC2)nc1)N(CCO)[C@@H]1CCCc2ccccc21 72285549 DQBYJCGTZPUKOH-HXUWFJFHSA-N 396.491 2.822 0 40 GFAB CC(=O)N1CCN(c2ncnc3c2c(C)c(C)n3CCc2ccccc2)CC1 6759248 LQCLHBLOJFSJSD-UHFFFAOYSA-N 377.492 2.959 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 6785906 PNFSNBXFKUVAPT-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB Cc1noc(C)c1CN1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 67411282 LDZKWBVBPMWPHZ-QFIPXVFZSA-N 396.535 2.945 0 40 GFAB COCC(=O)N1CCC2(CCc3cnc(NC(=O)Nc4ccccc4)nc32)CC1 306141815 WHCBWLZYIKEGJC-UHFFFAOYSA-N 395.463 2.573 0 40 GFAB COC(=O)c1ccc(/C=C2\CC(=O)N(c3ccccc3C(=O)OC)C2=O)cc1 9531666 UNOTXVBZHHYWQC-RVDMUPIBSA-N 379.368 2.607 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(OC)cc(OC)c2)c1 7969937 SOOQTDORRUBJKG-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CN(C(=O)CSc1nccn1C)c1ccccc1C(=O)NCc1ccco1 8068114 ULJZQEBVYXJGIT-UHFFFAOYSA-N 384.461 2.698 0 40 GFAB CCC[C@](C)(NC(=O)c1cc(Br)c2c(c1)OCCO2)C(=O)OC 71849943 ISDAHYKLRKOEQD-INIZCTEOSA-N 386.242 2.682 0 40 GFAB COC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 17994392 SOSGUVUARITUOF-XFKLWTPLSA-N 395.463 2.702 0 40 GFAB CC(C)Oc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 22396933 VJZKNXYQJDKBFP-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB O=C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccc(F)cc2N1 72301990 IZVMRPPRDUNGFK-UHFFFAOYSA-N 392.408 2.525 0 40 GFAB Cc1ccc(CN(CC(=O)O)C(=O)c2cn(Cc3cccc(F)c3)nn2)cc1 95463883 UEAUPJPOESFRAO-UHFFFAOYSA-N 382.395 2.501 0 40 GFAB O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1 89823117 ZCZNRPZVDATYIM-QGZVFWFLSA-N 398.440 2.843 0 40 GFAB CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1OCC 26320158 YOOYLGOZTSWQRI-UHFFFAOYSA-N 393.461 2.734 0 40 GFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cnc2ccccc2n1 38677559 RHOOFCGLHOSBKU-UHFFFAOYSA-N 382.445 2.730 0 40 GFAB O=C(NCc1ccc(OC(F)F)c(F)c1)c1ccc(=O)n(-c2ccccc2)n1 511211678 QPSFNKIPUUIHES-UHFFFAOYSA-N 389.333 2.903 0 40 GFAB O=C1CN(Cc2nn(-c3ccccc3)c3c2CCC3)CCN1CC(F)(F)F 513418424 BLVCSPMBHBDFKY-UHFFFAOYSA-N 378.398 2.568 0 40 GFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408591412 MBJNSNHBXDOORL-OAHLLOKOSA-N 388.489 2.730 0 40 GFAB O=C(CN1CCC[C@@H](COCc2ccccc2)C1)NCc1ccc2c(c1)OCO2 56908449 VUHNTQLDAGATDD-HXUWFJFHSA-N 396.487 2.960 0 40 GFAB CCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 72326502 UNHQNJAZFOTXBR-ZDZLMVPKSA-N 396.535 2.529 0 40 GFAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380679 UJKCFXATQZCIIT-OAHLLOKOSA-N 399.495 2.636 0 40 GFAB O=C(c1ccccc1OC(F)F)N1CCN(C(=O)c2cccnc2S)CC1 32018956 QIADEEPISDYPBN-UHFFFAOYSA-N 393.415 2.570 0 40 GFAB C[C@H]1CN(c2nc(N(C)C)c3ccccc3n2)CCN1C(=O)c1cscn1 565820827 MNMZJFACSFKCDZ-ZDUSSCGKSA-N 382.493 2.503 0 40 GFAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 44791171 WYIDCKYGNUEMHP-UHFFFAOYSA-N 392.546 2.811 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)N(C)C)c2)cc1 224348856 JMAHLGAWEXNUKG-UHFFFAOYSA-N 382.869 2.876 0 40 GFAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)CSc2c[nH]c3ccccc23)n[nH]1 225557581 WHTKNVBYJREQSD-INIZCTEOSA-N 383.477 2.836 0 40 GFAB Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1NS(C)(=O)=O 44902500 POZYYUVFICOBPB-UHFFFAOYSA-N 398.488 2.791 0 40 GFAB CCOc1ccc(C[C@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 225163982 XZTNDCGLNXMRRS-QGZVFWFLSA-N 381.425 2.686 0 40 GFAB CN(C(=O)NCc1cc2ccccc2n(C)c1=O)[C@H]1CCO[C@@H]1c1cccnc1 573513312 OBLVCPMREDSTPX-VQTJNVASSA-N 392.459 2.605 0 40 GFAB COc1cccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)c1 41089834 VPODPMVQCAYPFX-UHFFFAOYSA-N 392.440 2.757 0 40 GFAB Cc1n[nH]c(O)c1[C@H](c1c(O)n[nH]c1C)c1c(C)nn(-c2ccccc2)c1O 96193542 IDKZVEIQACQPJE-UHFFFAOYSA-N 380.408 2.541 0 40 GFAB Cc1ccc(C(=O)N2CCC3(CC2)COCCN(c2ncccn2)C3)cc1C 96239994 VLKDZCCPZZHLBT-UHFFFAOYSA-N 380.492 2.853 0 40 GFAB COc1ccc(Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1F 90610211 GTXDFPLRLAJQKV-UHFFFAOYSA-N 397.381 2.990 0 40 GFAB Cc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc1S(C)(=O)=O 580757414 PTBOFKQCMIOLSE-HNNXBMFYSA-N 376.482 2.747 0 40 GFAB COc1ccc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1 96114300 MZLPFWAMRZGJAH-UHFFFAOYSA-N 382.416 2.707 0 40 GFAB biogenic CN(C)C(=O)CN1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96155761 RUGGZNABLBBHSA-UHFFFAOYSA-N 381.455 2.803 0 40 GFAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)Cc2cccnc2)C1 257288897 PWDHHHDSMHGZJL-QGZVFWFLSA-N 377.448 2.777 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 257204258 ATSPNJYHGGRMPU-KZNAEPCWSA-N 399.539 2.514 0 40 GFAB CO[C@H](C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)[C@H]1CCOC1 668648102 UEXWDABXNCNDRW-YOEHRIQHSA-N 384.461 2.986 0 40 GFAB COc1ccccc1C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390826163 DKHPFXAQBXYQCH-SFHVURJKSA-N 377.437 2.836 0 40 GFAB COc1ccc(NC(=O)CN2CCC(NC(=O)CCc3ccccc3)CC2)cc1 48367176 MEQSIYWXEMFIRF-UHFFFAOYSA-N 395.503 2.847 0 40 GFAB COC(=O)C1=C(C(=O)OC)[C@]2(OC(C)=O)c3ccccc3-c3ccccc3[C@@H]12 5664676 BIMCFBABWXWLHN-AVRDEDQJSA-N 378.380 2.865 0 40 GFAB CCOC(=O)[C@@](NNc1ccccc1)(NC(=O)c1ccccc1)C(F)(F)F 5710010 BSRHDXOHQDPZGN-KRWDZBQOSA-N 381.354 2.855 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 11866781 QRDQSTNEKCZZRI-ZMZPIMSZSA-N 375.421 2.658 0 40 GFAB biogenic O=C(Cc1cc(F)ccc1F)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085241 VBFKUORMAARNQQ-AWEZNQCLSA-N 389.431 2.914 0 40 GFAB CCOc1ccccc1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1 13674712 HZYBKBQMBVXCRX-UHFFFAOYSA-N 376.478 2.819 0 40 GFAB COc1cc(NC(=O)Nc2c(C)nc3ccccn3c2=O)cc(OC)c1OC 13707571 DFVCTMHDMPRAPX-UHFFFAOYSA-N 384.392 2.673 0 40 GFAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)N(C)C 14428305 GUQJCJAIVCRBTG-UHFFFAOYSA-N 380.491 2.920 0 40 GFAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 16400285 JGCUOTSWLFSAEI-SFHVURJKSA-N 391.811 2.656 0 40 GFAB CNc1ncccc1CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19018299 QVONIGGHHFOAHQ-LJQANCHMSA-N 380.496 2.545 0 40 GFAB COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)c1 19551064 CKVRBQAOSFYMPI-GOSISDBHSA-N 382.464 2.507 0 40 GFAB O=C(CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1)NCc1ccccn1 19715559 IIBHVGHBMRYYEV-HNNXBMFYSA-N 381.455 2.668 0 40 GFAB CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 19739270 ZDKUJQDQYFEGAH-UHFFFAOYSA-N 378.476 2.990 0 40 GFAB CC(=O)N1CC2(CCN(C(=O)c3c(Cl)cnn3C)CC2)Nc2ccccc21 12086164 OPWKNGPSZJBNRP-UHFFFAOYSA-N 387.871 2.527 0 40 GFAB O=C(O)c1ccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)cc1 13460783 OFRIZKXJNZZGFJ-CQSZACIVSA-N 389.205 2.891 0 40 GFAB Cc1ccnn1CCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19238388 XWGMBZQJLFPVSY-UHFFFAOYSA-N 382.508 2.904 0 40 GFAB O=C1NCCN(C(=O)c2cc3n(n2)CCCC3)[C@@H]1c1ccccc1C(F)(F)F 581232098 LXWGTCLGXVCXCU-MRXNPFEDSA-N 392.381 2.552 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1C 6841917 IEEBJHQREVHMML-OAQYLSRUSA-N 381.432 2.792 0 40 GFAB COc1cccc2sc(N3CCN(c4nc(C)c(F)c(O)n4)CC3)nc12 1888881834 HVEXGPAAYAJAOV-UHFFFAOYSA-N 375.429 2.575 0 40 GFAB CCN=c1cc(C)nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)[nH]1 1889133840 BRYIKXDMVPPQFM-UHFFFAOYSA-N 384.381 2.518 0 40 GFAB Cc1nnc2c(N3CC[C@@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@@H]43)nccn12 1889149306 MAMYVVNXJMIYQO-OCCSQVGLSA-N 389.385 2.562 0 40 GFAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)cc1 4852481 HXQVABULRFXARO-UHFFFAOYSA-N 385.811 2.601 0 40 GFAB Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCC3(F)F)cs1 1565555702 OFRWZJAUFLUBEW-WMLDXEAASA-N 385.480 2.548 0 40 GFAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1 4479617 YVNJITBQIMOGCW-AWEZNQCLSA-N 385.420 2.639 0 40 GFAB O=C1C[C@H](NC(=O)N2CCCc3ccccc32)CN1c1ccc2c(c1)OCCO2 4479703 KXGIBKCZLHYIBZ-INIZCTEOSA-N 393.443 2.726 0 40 GFAB CC(C)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941694 CQIAETNJXNDFSO-UHFFFAOYSA-N 376.457 2.859 0 40 GFAB COc1cc(NC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc(OC)c1 22505865 SENZVBCUKQUGRC-UHFFFAOYSA-N 391.449 2.888 0 40 GFAB Cc1cc(Br)cnc1N1CCC[C@H](C(=O)N2CCSCC2)C1 2086861112 IUULITDWMSBJCH-ZDUSSCGKSA-N 384.343 2.944 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575614306 YXPRBXYQZGVVLK-OAHLLOKOSA-N 394.244 2.991 0 40 GFAB Cc1nccn1-c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 2298064971 QOKWBABPJDMYQO-UHFFFAOYSA-N 389.385 2.711 0 40 GFAB CCn1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc21 40148973 ARDUGPANGPEHNX-OAQYLSRUSA-N 391.471 2.991 0 40 GFAB CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)n2nc(C)sc2n1 40119281 VJNIIGWQIYRACE-UHFFFAOYSA-N 398.517 2.954 0 40 GFAB COc1ccc(CN(C(=O)CS(=O)(=O)Cc2cccc(F)c2)C2CC2)cc1 40121885 SWBVWJYIVCNDMX-UHFFFAOYSA-N 391.464 2.940 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30938158 CJYLJCDTGOSAHX-INIZCTEOSA-N 392.502 2.964 0 40 GFAB Cc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 32626746 MCZVGTNVBLQAQJ-UHFFFAOYSA-N 376.409 2.721 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@H]1COc2ccccc2O1 32738139 PIDJDEWJBLPQKR-INIZCTEOSA-N 379.416 2.793 0 40 GFAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccc(Br)cc1 21576493 GQYQYHWYGFYCNB-CYBMUJFWSA-N 382.254 2.508 0 40 GFAB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(CC(=O)N2CCCCCC2)CC1 32820779 ZVFUVWGIKTXRQF-JXMROGBWSA-N 389.927 2.900 0 40 GFAB COc1ccc(NC(=O)c2ccc(CN[C@@]3(C)CCS(=O)(=O)C3)cc2)cc1 32850975 JFQDCASWEONYEM-FQEVSTJZSA-N 388.489 2.614 0 40 GFAB CCOC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OCC)c2c(C)cc(=O)oc2c1 715419 GMPBVNFEZAJVTB-QWHCGFSZSA-N 392.404 2.762 0 40 GFAB biogenic COc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)cc1OC 55555434 OPEHLMBFNWRMQA-UHFFFAOYSA-N 377.418 2.692 0 40 GFAB CC(C)OCCN1CCN([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 72309001 ZPCHOCUHJYJDSN-OAHLLOKOSA-N 385.455 2.658 0 40 GFAB CCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 4500818 NJEQRTFFCKMPNK-UHFFFAOYSA-N 383.477 2.956 0 40 GFAB Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 43964307 RYZRIFMPNCHSEA-HNNXBMFYSA-N 386.477 2.604 0 40 GFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 12525687 WXLLNYUKSOYAIJ-UHFFFAOYSA-N 383.473 2.708 0 40 GFAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccccc1F 6961597 NWZFNPMSNACQFK-DHDCSXOGSA-N 383.379 2.905 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cc(-n3nnnc3C)ccc2F)c(C)c1 57784146 WKTZJOHTMGFBJL-UHFFFAOYSA-N 375.429 2.836 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C 20553703 JEZXLOUJGVKYQD-KRWDZBQOSA-N 377.487 2.809 0 40 GFAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 10233529 QATVWTBONJTCDF-LBPRGKRZSA-N 383.427 2.616 0 40 GFAB CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C 36370031 IXFWLQLTAQWGAT-UHFFFAOYSA-N 383.452 2.671 0 40 GFAB biogenic CCOCc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)ccc1OC 100763569 CUTVSSYHTUOOGY-RTBURBONSA-N 385.508 2.980 0 40 GFAB CS(=O)(=O)N(CCCC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(F)c(F)c1 113964910 VFJYUGNAFJMPMT-PBFPGSCMSA-N 386.464 2.816 0 40 GFAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22788310 SSHHFAUPTKILGS-YOEHRIQHSA-N 396.329 2.573 0 40 GFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113966755 YUCDSRNTNBBBOL-AWEZNQCLSA-N 394.468 2.695 0 40 GFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 2618079 SDMUOONUYALUEL-UHFFFAOYSA-N 389.477 2.871 0 40 GFAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccc(Cl)c(Cl)c2)N1 12113425 CEPSUMKIWRMETE-BONVTDFDSA-N 382.247 2.623 0 40 GFAB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1C 20111275 JQBSRWADKJHSJA-OAHLLOKOSA-N 378.469 2.913 0 40 GFAB Cc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c(O)c1 12782544 UQURWWXRIVSDCQ-UHFFFAOYSA-N 387.395 2.945 0 40 GFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Br 10041668 RDVNJQOOSBOBSL-LLVKDONJSA-N 383.267 2.755 0 40 GFAB CC1(C)Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)ccc2O1 10298751 PNYBHJDOMWLPCR-YBEGLDIGSA-N 378.384 2.772 0 40 GFAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OC 10543742 GACZZVSICZORPR-UHFFFAOYSA-N 395.477 2.978 0 40 GFAB O=C1CN(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c2ccccc2N1 3390594 HGOQIDQQVAPGRP-UHFFFAOYSA-N 377.400 2.629 0 40 GFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 68933355 AAKMOKSZZOIKJH-ZDUSSCGKSA-N 381.407 2.710 0 40 GFAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccc[nH]2)o1 12819895 UTPDGBFHYDQFMT-UHFFFAOYSA-N 387.421 2.763 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3nc(C)cc(C)n3n2)c1C 3466844 IJFRSJRVQNXNGU-UHFFFAOYSA-N 387.465 2.838 0 40 GFAB Cc1cc(=O)oc2cc(OC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc12 3444100 VAWOZRVEOHDZOY-UHFFFAOYSA-N 387.413 2.571 0 40 GFAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NC[C@H]1CCCO1 3505275 RZCZRRWHIJYKEO-OAHLLOKOSA-N 382.460 2.956 0 40 GFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1 12998987 AHPKMJJSNXUJFM-HNNXBMFYSA-N 382.869 2.561 0 40 GFAB CCCCN1C(=O)N[C@H](c2ccc(-n3cncn3)c(F)c2)C(C(=O)OC)=C1C 12974381 KWCCMPPOQLDUBM-QGZVFWFLSA-N 387.415 2.720 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 12945686 CJBZELRPSMZGGU-OAQYLSRUSA-N 384.476 2.816 0 40 GFAB CCSCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1OC 4065393 CIPLVFZEGFCTEE-MRXNPFEDSA-N 396.534 2.793 0 40 GFAB CCCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 28222564 XICPOHBLBBCBBP-UHFFFAOYSA-N 391.478 2.803 0 40 GFAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4cccc(Cl)c4)sc3nc2=O)cc1 5006663 ZQAMYUXJPNZIOJ-GZTJUZNOSA-N 395.871 2.612 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 4454456 HPRLGGQNWKIRRO-OAHLLOKOSA-N 382.416 2.864 0 40 GFAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 4419118 MPPWJEDNOGRIQY-UHFFFAOYSA-N 390.933 2.960 0 40 GFAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)c(C)[nH]1 14198055 ZIRXHUODRKIQEV-UHFFFAOYSA-N 383.448 2.574 0 40 GFAB CCCCN1C(=O)c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2C1=O 14229018 DCOAXNKLKJVCFE-HNNXBMFYSA-N 394.427 2.653 0 40 GFAB CCOc1cc2c(cc1/C=C/C(=O)NCCc1nnc3ccccn13)O[C@@H](C)C2 6757025 AOOLEICXBZCAIP-KIUWMYQTSA-N 392.459 2.824 0 40 GFAB COc1ccc(Cn2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 15047464 KTWZXFNYPQKFBH-SFHVURJKSA-N 395.488 2.842 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(NC(C)=O)c2)cc1 5989680 IPUBAPMQJHJMML-GFCCVEGCSA-N 383.404 2.787 0 40 GFAB COc1ccc(CN(C)[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1OC 7729752 RCJOQPQOYAZYRF-CQSZACIVSA-N 383.448 2.509 0 40 GFAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc2c(c1)OCCO2 8058529 RRPWXBVPDHZFTN-UHFFFAOYSA-N 376.459 2.888 0 40 GFAB C[C@H]1Cc2cc(C(=O)NCc3ccccc3Cl)ccc2N1S(C)(=O)=O 8076852 LRFRCHCHTOCJMJ-LBPRGKRZSA-N 378.881 2.981 0 40 GFAB CCC[C@@H]1NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 16694774 VBOMHYDYJACAKG-HNNXBMFYSA-N 384.402 2.505 0 40 GFAB COc1cc([C@@H]2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc(OC)c1OC 8487032 VZYAFPKYZPKTSG-INIZCTEOSA-N 385.347 2.791 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1ncnc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8429494 YJMYSZNOYLVTBR-ZIAGYGMSSA-N 393.534 2.536 0 40 GFAB O=C(Cc1cc2ccccc2[nH]c1=O)NCCc1nc(-c2ccc(F)cc2)c[nH]1 72298046 KDYVIVPULOFDJG-UHFFFAOYSA-N 390.418 2.959 0 40 GFAB Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 18230631 YTJVADXGPAEZEI-CQSZACIVSA-N 395.456 2.778 0 40 GFAB COc1cccc([C@@H](CN[C@H](CCO)C(=O)O)c2c[nH]c3ccccc23)c1OC 8749704 PIOBKZPTFFDGSU-IEBWSBKVSA-N 398.459 2.742 0 40 GFAB COC(=O)C[C@@H](NC(=O)COc1cccc(F)c1)c1ccc(OC)c(OC)c1 8884305 CIGQZFXQMJPTFG-MRXNPFEDSA-N 391.395 2.642 0 40 GFAB Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H](C)C[C@@H](C)O)[nH]c(=O)c2c1C 72293643 NHNIXAFEQQHUOU-OPQQBVKSSA-N 397.566 2.746 0 40 GFAB CCOCCCNC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 8943182 ZFKGLCWPVSJPGX-UHFFFAOYSA-N 387.505 2.762 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@H](C(=O)O)c1ccccc1 8986857 DZYKCBQCBXIOEQ-ZDUSSCGKSA-N 387.388 2.687 0 40 GFAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(CNC(N)=O)cc3)o2)cc1 19352363 RLHDVPLTACVMGJ-LBPRGKRZSA-N 396.403 2.832 0 40 GFAB Cc1cc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)[nH]n1 9108931 DUDDAIFDWDKNLY-UHFFFAOYSA-N 398.279 2.728 0 40 GFAB CC(=O)c1c(C)cc(C)c(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1C 95962954 YTSASOCIBPZGRZ-IBGZPJMESA-N 392.565 2.556 0 40 GFAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 95993199 NRXBPQVYAKFZAF-LLVKDONJSA-N 376.342 2.888 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCSCc2ccco2)cc1 20454051 DZJNKWJJPVYMAF-UHFFFAOYSA-N 380.491 2.618 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 22535246 WCUMJPXLGFVYJC-AWEZNQCLSA-N 376.478 2.972 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)CC1 20798751 REXWDSQOZFSUNO-OAHLLOKOSA-N 399.274 2.900 0 40 GFAB CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)C2CC2)CC1 306139509 SZAVQCHMJBBWKY-UHFFFAOYSA-N 380.492 2.732 0 40 GFAB Cn1ccc(C(=O)N2CCC(c3nnc4ccc(-c5ccsc5)nn34)CC2)n1 306140490 UUWDXCJNMBGIMV-UHFFFAOYSA-N 393.476 2.606 0 40 GFAB C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)N[C@H]1CCCC[C@H]1C 32910809 UKPQPLKFCIELAZ-INMHGKMJSA-N 385.464 2.796 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 56896021 UCNKJWHEMSHFLG-UHFFFAOYSA-N 390.487 2.597 0 40 GFAB CCN(CC)CC[C@H]1CN(C(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)O 30879444 HBHIGLWXGOODQS-ROUUACIJSA-N 376.497 2.980 0 40 GFAB biogenic,in-vitro O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70763020 SDBKOUOOJBIWHH-SFHVURJKSA-N 384.398 2.559 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCOCC3)nc2)cc1 72216171 WPYYFTNSTYVGSU-LJQANCHMSA-N 387.505 2.752 0 40 GFAB CCOC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218113165 PMPUVYPRDGMXCM-AABGKKOBSA-N 375.490 2.677 0 40 GFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 223276600 UDCRKQYRGQDEIS-UHFFFAOYSA-N 389.260 2.919 0 40 GFAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223588226 BTQPCWLSDKOGPD-MOPGFXCFSA-N 380.473 2.543 0 40 GFAB O=C1NCCN1Cc1ccccc1NC(=O)N1CCOC[C@H]1c1ccc(F)cc1 571020441 WWKVISVQEDKVTA-IBGZPJMESA-N 398.438 2.956 0 40 GFAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccco4)c3)n2)cc1 49005932 HZEFVZXSBXAYJT-UHFFFAOYSA-N 390.399 2.783 0 40 GFAB O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@H](O)c2ccsc2)nn1 225582703 YTIRUGZAVSAOOL-SFHVURJKSA-N 381.461 2.527 0 40 GFAB COCCCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225983509 GLMQKAVUZYUQSB-UHFFFAOYSA-N 390.505 2.515 0 40 GFAB CCc1ccc(CN2CC[C@]3(CC(C(=O)N4CCC(N(C)C)CC4)=NO3)C2)cc1 96225678 RYUIMIWCOVBLAJ-QHCPKHFHSA-N 398.551 2.522 0 40 GFAB COc1ccc(CN2C[C@H]3CN(C(=O)Nc4ccc(F)cc4)CCN3C2=O)cc1 96269085 HGNKPMYFESJIAH-GOSISDBHSA-N 398.438 2.988 0 40 GFAB biogenic,in-vitro CNCC(=O)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 257230859 GEFMSSORHRIBPK-UHFFFAOYSA-N 394.401 2.559 0 40 GFAB CCCS(=O)(=O)N1CCC[C@H](Cc2cc(Nc3cc(C)n[nH]3)nc(C)n2)C1 257327734 XCMJBFVFKXOQAX-OAHLLOKOSA-N 392.529 2.554 0 40 GFAB NC(=O)c1cc(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)ccc1F 590663223 WXWMMEIFIPOGFA-CQSZACIVSA-N 385.424 2.537 0 40 GFAB Cn1ncc(C(F)(F)F)c1CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 628356534 ONKRNTQUVOMVAW-HNNXBMFYSA-N 384.377 2.859 0 40 GFAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 47214677 BUIVEMBSBNORQV-FZMZJTMJSA-N 378.416 2.836 0 40 GFAB COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCCN(C(=O)NC3CC3)C2)cc1 95998904 JOJCNJVDMXPNAL-AWEZNQCLSA-N 383.452 2.722 0 40 GFAB COC1CCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595557 FRLSMJLECFHKRD-DYXWJJEUSA-N 388.483 2.855 0 40 GFAB COc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cn1 5062394 OLBRQGQHONJJRS-KRWDZBQOSA-N 391.493 2.730 0 40 GFAB Cc1cc(C)n(CCC(=O)N2CCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)n1 12154024 HZNBKRUINVHMPL-KRWDZBQOSA-N 382.468 2.619 0 40 GFAB O=C(CCCNC(=O)[C@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 12409141 OSSNNHPGFYYSRC-MRXNPFEDSA-N 397.456 2.971 0 40 GFAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 12747128 IQNPXFXVWUQCOF-UHFFFAOYSA-N 394.518 2.664 0 40 GFAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 14607416 KIEPQVIROGFTKR-IAQYHMDHSA-N 399.274 2.900 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1Br 16084772 YGFXFSNBURLVIH-UHFFFAOYSA-N 387.230 2.505 0 40 GFAB CCOC(=O)COC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 16283009 WHPWXNZXBYMQMK-UHFFFAOYSA-N 385.416 2.986 0 40 GFAB CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 16401729 VEJABMXFYMOWJU-NRFANRHFSA-N 397.431 2.914 0 40 GFAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 19290099 DJGJCMJUNDRCQP-QGZVFWFLSA-N 394.523 2.983 0 40 GFAB Cc1cc(N)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc2)n1 19660740 VDTPDYIDNFOSPM-HXUWFJFHSA-N 391.475 2.979 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2 5241999 KHBFSGSRKCOMRW-KSSFIOAISA-N 388.464 2.502 0 40 GFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 7827325 XKBFKVGRQJEFDS-SFHVURJKSA-N 391.880 2.527 0 40 GFAB COc1ccc(Cl)cc1C(=O)NCC1(N2CCSCC2)CCOCC1 1888850088 JZIACYZZEOTOSH-UHFFFAOYSA-N 384.929 2.676 0 40 GFAB CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)c[nH]2)c1 25200279 XODBCYJLQROSMU-UHFFFAOYSA-N 377.828 2.946 0 40 GFAB CN(C)c1ccccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037977760 CRFCMBVONCWZKP-HSZRJFAPSA-N 393.487 2.791 0 40 GFAB COc1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cc1 2037985768 VOZFDINGRURMRW-XLIONFOSSA-N 380.444 2.589 0 40 GFAB CCCCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)cn23)n(C)c1=O 4370423 VUKVFHIFFJBUIY-UHFFFAOYSA-N 383.427 2.776 0 40 GFAB NC(=O)c1ccccc1NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O 12440997 XHQCZYNWYOFQQD-UHFFFAOYSA-N 394.406 2.567 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1cc(-c2ccco2)cs1 1775968881 OJDVFPZOKFZSCF-UHFFFAOYSA-N 384.413 2.669 0 40 GFAB Cc1c(C(=O)N2CCSCC2)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 49420817 NJMOMSZJDKHNEC-UHFFFAOYSA-N 396.476 2.692 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2cccnc2)C(=O)C1 585150083 AGZGEUOECLRZHZ-UHFFFAOYSA-N 380.231 2.643 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)C[C@H](SC(=S)N3CCCCC3)C2=O)cc1 13576769 ATPFOYRBENNFSD-HNNXBMFYSA-N 392.502 2.748 0 40 GFAB COCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20051675 YGEWCLNUOGIDIR-UHFFFAOYSA-N 385.493 2.623 0 40 GFAB CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1 20392711 MDUVILMPBMJPHW-UHFFFAOYSA-N 393.557 2.857 0 40 GFAB Cc1ccccc1N(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)c1ccco1 101269474 MPQSEDUZOHGAHD-LNMJFAINSA-N 376.412 2.999 0 40 GFAB O=C(CN1C(=O)[C@@]2(CC(O)=Nc3[nH]ncc32)c2ccccc21)Nc1ccccc1 20714477 QPCPUOOMDCSGHJ-NRFANRHFSA-N 387.399 2.673 0 40 GFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(/C=C/c4ccccc4)[C@@H]3C2=O)cc1 101500295 DIHZOXZKSINMGQ-SZCOOPAMSA-N 376.368 2.570 0 40 GFAB O=C(NCCc1ccccn1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 40930137 FGLFPZRQJYNDGX-UHFFFAOYSA-N 391.475 2.703 0 40 GFAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 101942942 BFGFHFHYJJEWTJ-IIMDRIAPSA-N 398.846 2.531 0 40 GFAB CN1CCCN(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 32856002 CVKJKOAIAPILOP-LJQANCHMSA-N 375.563 2.921 0 40 GFAB Cc1cccc(OCC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)c1 32908594 VHCYEIQGSRYHRX-UHFFFAOYSA-N 398.488 2.830 0 40 GFAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 42249507 DPANYSFCJJWKHS-UZLBHIALSA-N 383.467 2.976 0 40 GFAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 798723 VHTPTMGQVJJKCL-MRXNPFEDSA-N 388.489 2.727 0 40 GFAB O=C(CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)N1CCOCC1 905345 CTZKBTQSUGGBQZ-UHFFFAOYSA-N 388.424 2.617 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)Oc1ccccc1 1576256 IBPGOHOPKSDPAT-DLBZAZTESA-N 388.464 2.983 0 40 GFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)Oc1ccccc1 1576257 IBPGOHOPKSDPAT-IAGOWNOFSA-N 388.464 2.983 0 40 GFAB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O 1795946 BAFBGNDGKMLCHH-SNVBAGLBSA-N 391.820 2.843 0 40 GFAB in-vitro Cc1cccn2cc(CCNS(=O)(=O)c3ccc(Br)cc3)nc12 2961156 AOCPJYDPVPMYEY-UHFFFAOYSA-N 394.294 2.926 0 40 GFAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NN2CCN(C)CC2)cc1 3224752 RKNFEQLMQFXYDZ-UHFFFAOYSA-N 375.476 2.740 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C 3587572 RJEFNSOVVOPOQE-UHFFFAOYSA-N 379.800 2.652 0 40 GFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1OC(F)F)C2=O 3595693 NVAXPLMUTOAMHX-BBATYDOGSA-N 381.379 2.727 0 40 GFAB Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1 3623744 XWYWWQKBHGEIRD-QGZVFWFLSA-N 395.312 2.879 0 40 GFAB CCOC(=O)N1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)CC1 4034830 MDMUXSZXLZEJDD-GOSISDBHSA-N 395.544 2.835 0 40 GFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)c1ccccc1 4139826 CCVZRSKGKILAPF-UHFFFAOYSA-N 379.807 2.573 0 40 GFAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2C(C)(C)C)c1=O 4166234 XGENITLKNVZVGN-UHFFFAOYSA-N 389.843 2.649 0 40 GFAB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1cccc(Cl)c1Cl 4512381 HIJAFHPBJXZJSR-WVHQUNFXSA-N 384.215 2.673 0 40 GFAB CCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 4731774 KLQNQZHNFUPXSO-ZDUSSCGKSA-N 376.457 2.659 0 40 GFAB O=C(CSc1nnc(Cc2ccccc2)o1)NC[C@@H]1COc2ccccc2O1 5216618 AKPLKALMZKHLEQ-OAHLLOKOSA-N 397.456 2.709 0 40 GFAB O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)cc2)S1 5345509 XONBQIKSDBEJAD-AUWJEWJLSA-N 384.369 2.667 0 40 GFAB Nn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccc1Cl 6476217 SAOIDIBNSPSKEI-UHFFFAOYSA-N 385.880 2.994 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNC1CCC(C)CC1)n2CCC 6552186 BWZDPHSUMHYNTC-UHFFFAOYSA-N 375.517 2.765 0 40 GFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 6608756 VTQNSYGLHQVSEH-QGZVFWFLSA-N 393.230 2.794 0 40 GFAB CCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 6709242 UZGRSLLXQLUBDR-CYBMUJFWSA-N 392.477 2.572 0 40 GFAB COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 6759354 BGRXVSAHQBTQHZ-OAQYLSRUSA-N 398.459 2.924 0 40 GFAB biogenic O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F 6971023 JPSQVQFBIFHFBO-GZTJUZNOSA-N 394.406 2.877 0 40 GFAB COc1ccc(CCNC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)o2)cc1 7298948 PEUXAAWKUNAVSV-CYBMUJFWSA-N 384.461 2.980 0 40 GFAB O=C(Cn1nnc(-c2cccs2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7718996 JMECSYOILSCNDW-CQSZACIVSA-N 397.460 2.537 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)cc1 7922327 LFGRUUKPDNHTOD-UHFFFAOYSA-N 395.459 2.923 0 40 GFAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2=O)cc1 8232650 MSTDACKRNABMSM-INIZCTEOSA-N 377.444 2.879 0 40 GFAB CCCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1nnc(-c2ccco2)o1 8242128 GNCCATAZVNRTGZ-UHFFFAOYSA-N 395.419 2.527 0 40 GFAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2cc(OC)ccc2OC)n1 9013643 MNLYEEAJOBITHT-VMPITWQZSA-N 376.434 2.918 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 9036573 HBGNTNXAXVAINQ-OAHLLOKOSA-N 376.453 2.774 0 40 GFAB O=c1cc(CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c2cc3c(cc2o1)CCC3 9691209 CTCPLZKQUGPIEU-HNNXBMFYSA-N 399.472 2.638 0 40 GFAB O=C(CCc1cccs1)N1CCC(NS(=O)(=O)c2cccs2)CC1 9853689 ZYSMXNFTFVWWIY-UHFFFAOYSA-N 384.548 2.712 0 40 GFAB CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 12607586 JMMWQECCVWCDNF-OAHLLOKOSA-N 397.541 2.538 0 40 GFAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cnn1C 12684283 LARCUBSJQQWJKG-UHFFFAOYSA-N 384.461 2.806 0 40 GFAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccccc1N1CCOCC1 12737186 YZRDLNCGDRCPFE-INIZCTEOSA-N 378.476 2.953 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12753114 OSWOUPGJBFCXKZ-RMKNXTFCSA-N 390.443 2.747 0 40 GFAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(NC(=O)c2cccs2)cc1 12996139 RGKHCPRYRKTFNC-UHFFFAOYSA-N 381.461 2.810 0 40 GFAB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc(OC)c1OC 13131814 ACNTWVYZWQYGOK-MRXNPFEDSA-N 388.424 2.544 0 40 GFAB O=c1c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)nc2n1CCCS2 13624460 TWSNAMBUPJCONY-OAHLLOKOSA-N 388.880 2.815 0 40 GFAB Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)cc1 13739135 DBRAECUVVYJIAJ-UHFFFAOYSA-N 394.406 2.722 0 40 GFAB O=c1c2cc(Br)ccc2ncn1C[C@H](O)COCc1cccs1 13985705 ORXMHXZKJIOMKG-LBPRGKRZSA-N 395.278 2.798 0 40 GFAB C[C@H](Cn1cnc2c3cc(F)ccc3n(CC(N)=O)c2c1=O)c1ccccc1 14000780 PRDJISQFZDSRHI-CYBMUJFWSA-N 378.407 2.779 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nnnn2-c2ccccc2)c1C 14071888 UTYPVOIBTSNVMN-UHFFFAOYSA-N 385.449 2.759 0 40 GFAB Cc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1S(=O)(=O)N(C)C 14085283 GIIIIPJTRQAOSZ-UHFFFAOYSA-N 392.506 2.754 0 40 GFAB Cn1nnnc1SCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 14093470 UHQVDOVDSOFQCA-UHFFFAOYSA-N 380.886 2.642 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 15917124 UBODCNXRCRMIAJ-KRWDZBQOSA-N 383.473 2.895 0 40 GFAB O=C(Cc1csc(Nc2ccccc2)n1)N1CCN(c2ncccn2)CC1 16850046 UDZQERYRIXSFGV-UHFFFAOYSA-N 380.477 2.568 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)cc1 17050693 IMPLKWOVMDDZLD-UHFFFAOYSA-N 390.480 2.600 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)cc1 17636399 PQJGPTFNRSDPJF-HNNXBMFYSA-N 396.468 2.827 0 40 GFAB CCOc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)n2N)cc1 17721808 ZHQYYOZCLLNAHZ-OKILXGFUSA-N 389.525 2.654 0 40 GFAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@@H](c4ccccc4)C3)n2)o1 19216730 RGEGNVQOJWFTBW-QGZVFWFLSA-N 392.459 2.800 0 40 GFAB COc1ccccc1CC(=O)N[C@@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C 19445649 YAYMSVPVOMOJIX-OAQYLSRUSA-N 392.459 2.897 0 40 GFAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(N2CCOCC2)nc2ccccc12 19666984 VXODLSXZJDXWOU-CQSZACIVSA-N 379.464 2.604 0 40 GFAB CN(C)S(=O)(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19690261 NUUWIHRHJVZJGU-UHFFFAOYSA-N 377.485 2.797 0 40 GFAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCN(CCc3ccccc3)C2)n1 19693755 VHIBZUSRZZVLHX-SFHVURJKSA-N 376.508 2.975 0 40 GFAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)ncc1C(=O)N1CCCCC1 19765549 PQMAPRFSDJGONA-SFHVURJKSA-N 396.495 2.512 0 40 GFAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)NCc1ccccn1 21882464 FDASQDRWZUWZGS-UHFFFAOYSA-N 382.489 2.898 0 40 GFAB Cc1cccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 22327458 XWKFVUDOZLXTOS-QGZVFWFLSA-N 390.505 2.653 0 40 GFAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2csc3ccccc23)CC1 24759103 SXTLTUSSJFVUMA-CQSZACIVSA-N 397.552 2.613 0 40 GFAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(NC(C)=O)cc1 24926479 CSTCALZZJLAQLH-UHFFFAOYSA-N 384.461 2.995 0 40 GFAB O=C(NC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1)c1ccc(F)cc1 25213120 LACPBHLRRYTPIW-UHFFFAOYSA-N 393.418 2.702 0 40 GFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](c2nnc3n2CCCCC3)C1 32760546 SBLLGOMBJNWMSY-HNNXBMFYSA-N 391.475 2.866 0 40 GFAB Cc1c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)oc2c(F)cccc12 32823547 UOSHZBATYAWNMP-UHFFFAOYSA-N 387.455 2.651 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)COc1ccc2ccccc2c1 32850763 RIMJLGDWKWMCBO-UHFFFAOYSA-N 386.429 2.513 0 40 GFAB Cc1c(C(=O)Nc2ccc(N3CCCCC3)nc2)sc2ncn(C)c(=O)c12 32883898 DLIYMWGAZGDWFZ-UHFFFAOYSA-N 383.477 2.941 0 40 GFAB O=CN1CCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)CC1 36366039 MWTJXXRQIJCRMS-UHFFFAOYSA-N 377.444 2.521 0 40 GFAB CCOc1ccc(NC(=O)CCCOC)cc1S(=O)(=O)N1CCCCC1 40130758 VAZICXKXYZHOFR-UHFFFAOYSA-N 384.498 2.625 0 40 GFAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cnc2c(cnn2C(C)C)c1 40150818 JEWZIZRNEBRXAW-INIZCTEOSA-N 393.513 2.545 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 40158694 BAHHIKHZZKRKHT-GOSISDBHSA-N 384.407 2.987 0 40 GFAB COc1ccccc1NC(=O)Cn1c(=O)nc(N)c2c3c(sc21)CCCCC3 40285627 VHBQJINCZUICHG-UHFFFAOYSA-N 398.488 2.956 0 40 GFAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN(c2ncccn2)C1 48355008 UOYOBGIRPYPTQJ-LJQANCHMSA-N 394.523 2.785 0 40 GFAB CC[C@H](C)NC(=O)CCNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 56914860 XNZAVAQVBDYRIA-AWEZNQCLSA-N 396.482 2.533 0 40 GFAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(Cl)s1 56997482 KWHJFBVSELWMGY-UHFFFAOYSA-N 385.942 2.502 0 40 GFAB CCN(CC)Cc1ccccc1NC(=O)NCc1ccc(-n2cncn2)nc1 58086208 XIMCYHXAVHQTKU-UHFFFAOYSA-N 379.468 2.826 0 40 GFAB CCOc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1OC 58195926 QNBZUBSKBSLJER-SOLBZPMBSA-N 376.497 2.808 0 40 GFAB NC(=O)c1cc(C(N)=O)c2nc(-c3ccc(Br)cc3)sc2c1 73635659 BCGXJPROIYDUMC-UHFFFAOYSA-N 376.235 2.924 0 40 GFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(O)cc1)SCC(O)=N2 79486242 YGGBNCHVLQTQDQ-BLLLJJGKSA-N 393.490 2.681 0 40 GFAB Cn1cc(CCNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cn1 84318394 WSODDZWIQDFGHV-HXUWFJFHSA-N 375.428 2.847 0 40 GFAB COc1ccc([C@@H](C)NC(=O)CNC(=O)CC(C)(C)C)cc1Cn1cccn1 84647803 JGQBBAJJPRWZRS-OAHLLOKOSA-N 386.496 2.670 0 40 GFAB O=S(=O)(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 90610639 QVPCFAINJRWYEB-HNNXBMFYSA-N 387.379 2.652 0 40 GFAB Cc1ccc(C)c(OCC(=O)N[C@@]2(C(=O)O)CCCN(Cc3ccccc3)C2)c1 95464047 UBNNGSSYNCUHNF-QHCPKHFHSA-N 396.487 2.918 0 40 GFAB O=C(NCCn1ccnc1-c1ncccn1)c1ccc(OC(F)(F)F)cc1 96103906 YBVVCTZEQUVXKS-UHFFFAOYSA-N 377.326 2.669 0 40 GFAB CCCCNC(=O)c1ncn2c1CN(CC(C)C)S(=O)(=O)c1ccccc1-2 96266161 MHNFJFHLUCDBGL-UHFFFAOYSA-N 390.509 2.563 0 40 GFAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113958181 LPIFITKCWDDESW-LLVKDONJSA-N 386.395 2.575 0 40 GFAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCN(c2cccc(Cl)c2)CC1 182209367 JQLRPRJEDWDJPL-SFHVURJKSA-N 387.867 2.865 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C 224082379 VMNKBPRNMSLVQH-UHFFFAOYSA-N 376.478 2.792 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(F)(F)F)s1 224336201 KSAPWQXVLTYGED-UHFFFAOYSA-N 380.373 2.706 0 40 GFAB CCc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 224985438 MHFRMJCTQGCNBJ-OAHLLOKOSA-N 389.521 2.983 0 40 GFAB CN(Cc1ccccc1)C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225951886 RWTIHEHTQIDSLT-QGZVFWFLSA-N 380.897 2.979 0 40 GFAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(I)c1 250116861 NPABUOAYDFMERC-RBJBARPLSA-N 383.185 2.753 0 40 GFAB COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 257259805 LACUKZXPOVJESI-KRWDZBQOSA-N 397.523 2.859 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)ncn1 257280791 OMLPHRKJDOUCDJ-QGZVFWFLSA-N 397.523 2.871 0 40 GFAB Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c(C)o1 306143416 YBVDNCNYVMOWNM-VQTJNVASSA-N 390.443 2.815 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](n4cc(C5CC5)nn4)C3)cc2)co1 390826857 QGKWVILFVQHRQB-MRXNPFEDSA-N 399.476 2.755 0 40 GFAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2)c1 409239786 QHPXBASCVAWAGW-UHFFFAOYSA-N 383.517 2.935 0 40 GFAB CC(C)c1ccc(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc1 523958324 RQDOUKKBWHGVCJ-UHFFFAOYSA-N 377.510 2.751 0 40 GFAB COc1ccc([C@H](NC(=O)COc2coc(C)cc2=O)C(C)C)cc1OC 524731890 NXGMPXJLHRUJSJ-HXUWFJFHSA-N 375.421 2.858 0 40 GFAB biogenic CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)c2C1 556773784 SAMZDVAOFITZJN-GUYCJALGSA-N 394.397 2.615 0 40 GFAB Cc1ccc(CNC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c2ccccc12 572701750 PJVHXULEJPOVQU-SFHVURJKSA-N 379.464 2.779 0 40 GFAB O=C(O)C[C@H]1CCCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C1 576685343 PWQRFIAXOGZRDY-SNVBAGLBSA-N 375.256 2.697 0 40 GFAB O=C([C@H]1CCc2nncn2C1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622640134 DEVAYMFVDIGBTA-NSHDSACASA-N 385.415 2.722 0 40 GFAB COc1ccc2ccccc2c1CNC(=O)N[C@@H]1CCO[C@H]1c1nccn1C 623093264 BKSJZSNGHPCEPH-IEBWSBKVSA-N 380.448 2.911 0 40 GFAB CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(C(=O)O)CC2)CC1 649465273 XCSZVXCMEHHEKB-HNNXBMFYSA-N 395.297 2.909 0 40 GFAB COc1cc2nc(N3C[C@@H](C)O[C@H](CC(F)(F)F)C3)nc(N)c2cc1OC 664637495 CXMPEQNHVYJYLB-NXEZZACHSA-N 386.374 2.775 0 40 GFAB CC(C)S(=O)(=O)c1ccc(C2=CCN(C(=O)[C@@H]3CCCOC3)CC2)cc1 1614972609 MINHIKGIJBTIEJ-GOSISDBHSA-N 377.506 2.911 0 40 GFAB Cc1cc(S(=O)(=O)N[C@@](C)(C(=O)O)[C@@H]2C[C@H]3CC[C@H]2C3)cc(C(=O)O)c1C 1615586608 POTFYWAGIVRASV-QOFYIIDASA-N 395.477 2.559 0 40 GFAB Cc1cn2nc(OCC3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)ccc2n1 1888888084 XANKVJWJTIZEBN-UHFFFAOYSA-N 396.495 2.990 0 40 GFAB O=C(CSc1ccncc1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037977940 YQRRSHNQECGVEB-OAQYLSRUSA-N 397.500 2.598 0 40 GFAB Cc1ncc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037988710 FUWMCGHYZDEWRQ-OAQYLSRUSA-N 384.455 2.712 0 40 GFAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)CCc2cnn(C)c2)C3)cc1 2056224067 BVEKUOBEEBXZMJ-QGZVFWFLSA-N 386.521 2.560 0 40 GFAB COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc(OC)ccc1OC 815859 JYIVRYBQSODZMN-UHFFFAOYSA-N 375.421 2.625 0 40 GFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCc3ccccc32)cc1 55391918 IHOFUPVIIMIATP-LJQANCHMSA-N 385.489 2.743 0 40 GFAB Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 4875749 FIYKYNCHBSKMAF-UHFFFAOYSA-N 399.516 2.878 0 40 GFAB CCc1nnc2c(=O)n(CC(=O)Nc3cc(C)ccc3OC)c3ccccc3n12 57522830 FCXLPTMQWBHZDA-UHFFFAOYSA-N 391.431 2.562 0 40 GFAB COc1ccc(CNC(=O)CSc2nc(-c3ccccc3)cn2N)cc1OC 8135736 IUGOXTVIBGLBEM-UHFFFAOYSA-N 398.488 2.690 0 40 GFAB O=C(Oc1cccc(F)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8428569 NMPMYJWPJSCFLK-UHFFFAOYSA-N 388.420 2.592 0 40 GFAB C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(NC(N)=O)cc1 58053056 LQIZWXPAQQDRAJ-WMLDXEAASA-N 385.468 2.968 0 40 GFAB CCOCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22698682 GXKSWHCLASCZKN-IBGZPJMESA-N 392.521 2.686 0 40 GFAB COc1cccc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)c1OC 100752970 FNQWZZZAVRKEEK-UHFFFAOYSA-N 380.448 2.888 0 40 GFAB O=C(NCc1cccc(Br)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 45363347 OLDPOJBQDZUPCE-ZDUSSCGKSA-N 377.238 2.707 0 40 GFAB Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1Br 2346060 AVEHIQMFPAGYDJ-UHFFFAOYSA-N 391.221 2.741 0 40 GFAB CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 52411029 UMXNDRNEKHADCW-HNNXBMFYSA-N 395.459 2.827 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 11414794 GDHQGMOWAMTGCY-LLVKDONJSA-N 377.466 2.568 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(F)c1 20801032 GTSWXTBWDXGOKJ-MOPGFXCFSA-N 395.434 2.590 0 40 GFAB CCN(Cc1ccc(Br)s1)C(=O)c1nc2nccc(C)n2n1 57467663 SBLAEBJIRBESFE-UHFFFAOYSA-N 380.271 2.919 0 40 GFAB CC(C)(C)c1cc(NC(=O)Cc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 24843064 FJAFIRYWOKHJLM-OAHLLOKOSA-N 375.494 2.721 0 40 GFAB COc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC 22524340 ZHQLDCLXDFUABH-AWEZNQCLSA-N 396.443 2.957 0 40 GFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCN(C(=O)N2CCCC2)C1 58394214 FGRRXXVSVLLZOU-LBPRGKRZSA-N 381.379 2.874 0 40 GFAB COC(=O)C[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1 48240642 OUKVIXUYRARLRC-SFHVURJKSA-N 382.464 2.654 0 40 GFAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1 12749484 FKPYKYUQRHNSQV-UHFFFAOYSA-N 376.416 2.708 0 40 GFAB CN(C)[C@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl 12730834 WQULTJKIWHNLCX-GOSISDBHSA-N 399.878 2.745 0 40 GFAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1c[nH]c(C(=O)N2CCCC2)c1 48340512 VMUPJGXVRGJLIL-UHFFFAOYSA-N 376.796 2.990 0 40 GFAB Cc1cccc(C)c1NC(=O)CNC(=O)C[C@H]1Sc2ccccc2NC1=O 12808912 VEFHFQSHRHIYRZ-MRXNPFEDSA-N 383.473 2.861 0 40 GFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 3459189 CGMIQVZNHUBXJZ-RBZFPXEDSA-N 375.444 2.579 0 40 GFAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)F)C2=O 3592586 QGRXLNBTDVNHMR-UHFFFAOYSA-N 381.379 2.727 0 40 GFAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1OC 27022565 DMOAMJZJTLASBG-JLDLUELGSA-N 391.452 2.886 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](C)CCC(C)C)cc1 12982246 YQVJNJFIVRFHMP-YJBOKZPZSA-N 382.526 2.789 0 40 GFAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(SC(F)(F)F)cc2)CC1 12989930 ANEWKWWZUUGJKJ-UHFFFAOYSA-N 396.456 2.842 0 40 GFAB Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 13038777 KESXLCXZPMVHAM-UHFFFAOYSA-N 398.488 2.552 0 40 GFAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4112475 XKSAJNGWGQWNCX-ZXFNITATSA-N 392.249 2.689 0 40 GFAB COc1cc2c(cc1NC(=O)C(=O)NCc1cn(C)nc1C)oc1ccccc12 9303825 ROIKNIRVMCEKPI-UHFFFAOYSA-N 392.415 2.891 0 40 GFAB COCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 13944443 ZDINZKWODCLMOA-SNVBAGLBSA-N 380.857 2.605 0 40 GFAB Cc1nc(C)c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 6366800 XKSHABVFSFAFQM-UHFFFAOYSA-N 393.490 2.595 0 40 GFAB CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2)c2ccccc2O1 14188658 CUKSPOHWYAHLQD-INIZCTEOSA-N 389.249 2.945 0 40 GFAB COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1OC 14264008 WYAFRJHCQIBDLB-UHFFFAOYSA-N 398.506 2.805 0 40 GFAB Cc1csc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1 6566427 PTGQPJCHDYOQOI-UHFFFAOYSA-N 385.536 2.741 0 40 GFAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 4736490 OACHFURCKQFXLY-UHFFFAOYSA-N 398.444 2.950 0 40 GFAB O=C(NC12CC3CC(C1)CC(NC(=O)c1cccnc1)(C3)C2)c1cccnc1 4785480 MIQTYAKFXYQQGY-UHFFFAOYSA-N 376.460 2.728 0 40 GFAB CCCCc1nc(C)sc1C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 72402683 HPYFXKMWWIFUHO-ZDUSSCGKSA-N 396.538 2.911 0 40 GFAB O=C(COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)NC1CC1 7015123 XVKQPPIZXLGDRN-UHFFFAOYSA-N 386.473 2.687 0 40 GFAB COc1cccc(NC(=O)[C@@H](NC2CCN(C(C)=O)CC2)c2ccccc2)c1 15501066 QPRDOJNMGIEIQH-NRFANRHFSA-N 381.476 2.976 0 40 GFAB NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 8316444 BGSPVXGJYHWIJI-FQEVSTJZSA-N 387.439 2.765 0 40 GFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O 9609786 SOYMCAKAUXKHCR-LJQANCHMSA-N 381.344 2.631 0 40 GFAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)NCCc1ccccc1 95348729 HMWOWMGMJOZFDC-QHCPKHFHSA-N 391.471 2.733 0 40 GFAB COCc1cc(=O)n(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cn1 83914604 MTERBPAVHRBXQA-OAQYLSRUSA-N 397.862 2.949 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408587594 FEMYPUDSVJQOJM-OAHLLOKOSA-N 382.526 2.933 0 40 GFAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(C)cc2C)ccc1OCC(N)=O 8993928 HMRWGTWFNRLBNY-RMKNXTFCSA-N 397.427 2.615 0 40 GFAB Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c1 9111185 GJSQRGJVJXRHTJ-JOCHJYFZSA-N 377.444 2.874 0 40 GFAB CC[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 96942020 FWXHMGRONBOUHG-ZRRZQRFHSA-N 376.434 2.614 0 40 GFAB O=C(Nc1ccc(NC(=O)c2cnc3sccn3c2=O)cn1)c1ccccc1 95961468 ZRPVNOOTEIYMSR-UHFFFAOYSA-N 391.412 2.656 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 89826448 AIBNOLSYXKZKAP-INIZCTEOSA-N 387.802 2.567 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 409146334 SLKVKZGVPBGVMB-HNNXBMFYSA-N 382.416 2.538 0 40 GFAB Cc1cc(C)cc(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)c1 20488857 BGHCQBGYIMXKLS-UHFFFAOYSA-N 383.835 2.908 0 40 GFAB CN(C)C(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccccn3)C(=O)C[C@H]12 306136855 QFBNFVGXDHALOY-REWPJTCUSA-N 392.503 2.898 0 40 GFAB COc1ccc(/C=C2/C(=O)N(C)C(=O)c3cc(OC)c(OC)cc32)cc1OC 31870819 GFMBUNRCQVVVFS-RIYZIHGNSA-N 383.400 2.874 0 40 GFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 408650495 BBGWUKPNUDPAHQ-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O 409254179 VQMALUIQUQKKSE-KPKJPENVSA-N 387.219 2.848 0 40 GFAB O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCN(c2cnccn2)CC1 530421447 YKUNMQUYHJMZIV-JKSUJKDBSA-N 392.381 2.828 0 40 GFAB Cc1nn(Cc2ccc(C(=O)N[C@H](C)C(=O)N3CCCCC3)o2)c(C)c1Cl 72249915 BMRLLFCUBKHNAQ-CYBMUJFWSA-N 392.887 2.925 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C 219671270 DAVUVBZXHRIVMO-OAHLLOKOSA-N 386.473 2.715 0 40 GFAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cnn(C)c2)n1C 32610307 QIOAIEFJZBJCJW-UHFFFAOYSA-N 376.873 2.908 0 40 GFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 35904200 NGEGGVYNURDQQT-FYQPLNBISA-N 389.411 2.677 0 40 GFAB C[C@@H](NC(=O)C(=O)NCC1CCN(Cc2ccsc2)CC1)c1ccccc1 43940936 FMAMBWUXGXAPFY-MRXNPFEDSA-N 385.533 2.954 0 40 GFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)NCCOc2ccccc2)CC1 75170363 QDPZAWYCVHPRHS-UHFFFAOYSA-N 376.501 2.585 0 40 GFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCOc1ccccc1Cl 224076219 WNUHQDANURIEFB-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SCC(=O)OC)s1 224001020 RAOJRVZBKUXWQX-GFCCVEGCSA-N 381.479 2.908 0 40 GFAB CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223112601 GAWRVRPBXDILTQ-SECBINFHSA-N 388.902 2.911 0 40 GFAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 222609081 LWIGXXWALRRPQK-RZAIGCCYSA-N 379.489 2.861 0 40 GFAB COC(=O)c1cc2cc(NC(=S)NCCCN3CCOCC3)ccc2s1 225214051 WCQAABDXZKRZDR-UHFFFAOYSA-N 393.534 2.697 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225303596 NREIANBWBDDNMY-AWEZNQCLSA-N 376.453 2.565 0 40 GFAB NC(=O)COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 96319002 PVUKIFGMWYAODU-JKSUJKDBSA-N 383.839 2.942 0 40 GFAB COc1ccc(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)cc1Cl 90608515 IHAGQEZGNUSLRB-CQSZACIVSA-N 380.853 2.776 0 40 GFAB COc1ccc2c(ccn2CCNC(=O)CCc2nc3ccccc3[nH]c2=O)c1 95473771 VDIXJBHDGWHEJW-UHFFFAOYSA-N 390.443 2.635 0 40 GFAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 96058468 GGCXBVIXFUQBIV-OALUTQOASA-N 376.547 2.926 0 40 GFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccc2cnn(C)c2c1 585085280 FUPMIVXLLXEINT-OAQYLSRUSA-N 376.460 2.726 0 40 GFAB CN1C[C@H](CNC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1=O 666763634 LTGLABZWUJVPAN-HNNXBMFYSA-N 381.879 2.875 0 40 GFAB N[C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 666963158 YZDBKLXOIIOTRM-UXHICEINSA-N 383.496 2.682 0 40 GFAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575402479 ATTBNAYHZURPNH-QGZVFWFLSA-N 385.464 2.921 0 40 GFAB COCC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cccn2C1 585095460 ROPRIEYBOFVJGB-MRXNPFEDSA-N 378.494 2.662 0 40 GFAB COc1ccc(CN(Cc2[nH]cnc2C)C[C@H]2CCCO2)c(OC)c1OC 12116773 KQLJLYPRSSWYAY-MRXNPFEDSA-N 375.469 2.925 0 40 GFAB Cc1onc(-c2ccncc2)c1C(=O)NC[C@H](c1ccc2c(c1)OCO2)N(C)C 12203631 OFXDLTINLPAALN-MRXNPFEDSA-N 394.431 2.806 0 40 GFAB O=c1cc2c(nn1Cc1ccccc1F)-c1cnc(N3CCCCC3)nc1CC2 13267018 HEFALAKSWRRPKW-UHFFFAOYSA-N 391.450 2.977 0 40 GFAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1CCCC[C@H]1O 13648103 PVKABJUHAQJVML-RTBURBONSA-N 388.489 2.863 0 40 GFAB O=c1c2ccccc2cnn1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 14067134 UEGVQGGALFVWNE-UHFFFAOYSA-N 389.381 2.590 0 40 GFAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 19593539 OFODWZCGLXLPJN-SFHVURJKSA-N 394.475 2.979 0 40 GFAB CNc1nc(C2CCN(CCc3ccccc3)CC2)nc2c1CCN(C(C)=O)C2 19711561 NNXSFWTYGKOYGA-UHFFFAOYSA-N 393.535 2.845 0 40 GFAB O=C(c1cc[nH]n1)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2)CC1 19746635 WEYDPUQTGKXEJY-FQEVSTJZSA-N 396.491 2.722 0 40 GFAB Cc1cc(C)c2nc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)sc2c1 19748178 HAOJFLFMCYBMOH-UHFFFAOYSA-N 381.523 2.913 0 40 GFAB C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCCO2 3453646 YXCQABDQXKHKBL-SECBINFHSA-N 396.193 2.997 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@]1(O)CCCc2sccc21 1889176699 YZWIQSGPCHQLMN-INIZCTEOSA-N 387.910 2.913 0 40 GFAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1ccc(Br)o1 245131235 VKDFKTPMTLRELS-UHFFFAOYSA-N 382.239 2.552 0 40 GFAB CC(C)n1cnc2cc(C(=O)NC[C@]3(O)CCCN(c4ccccn4)C3)ccc21 2037879975 BOUNVEGXNNJRQJ-JOCHJYFZSA-N 393.491 2.774 0 40 GFAB Cc1c(C(=O)O)cccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 287339308 WPIYARZDMRFBNA-CRAIPNDOSA-N 388.489 2.635 0 40 GFAB COc1ccc(-c2nc(SC3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 4139120 VVSFYEKMFDRGIE-UHFFFAOYSA-N 398.488 2.738 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)C[S@](=O)C3)cc1 4105967 SQZSGQCMNKPECQ-HHHXNRCGSA-N 381.457 2.824 0 40 GFAB COC(=O)C[C@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)N1CCCCC1 4770161 ASQROVDQDYCCMT-CQSZACIVSA-N 384.860 2.713 0 40 GFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ccn3n2)cc1 7615959 IVPYKQQPAJCXFF-UHFFFAOYSA-N 392.390 2.949 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4c(F)cccc4F)cnc32)cc1C 10252048 XGOAAJLABJKGKY-UHFFFAOYSA-N 395.369 2.861 0 40 GFAB Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 16976142 GQOKAXOASDEEJK-UHFFFAOYSA-N 379.457 2.748 0 40 GFAB Cc1ccc(CNC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)cc1 49411246 MJNSPZHFYPYEFN-UHFFFAOYSA-N 376.464 2.891 0 40 GFAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 2106264 VTUBHADBCXCYLY-SZIUKJGQSA-N 385.460 2.737 0 40 GFAB biogenic Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1cccc(NC(=O)C2CC2)c1 31668528 MHKALTUTBZTJBR-UHFFFAOYSA-N 390.417 2.548 0 40 GFAB CNC(=O)[C@H]1CN(C(=O)Cc2csc(-c3ccc(C)o3)n2)c2ccccc2O1 31890507 UZRNGFVLJRWWGV-QGZVFWFLSA-N 397.456 2.794 0 40 GFAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 32100446 QWVRWFSFPVEUHL-MRXNPFEDSA-N 383.835 2.948 0 40 GFAB COc1ccc(-c2noc(CCC(=O)NOCc3ccccc3)n2)cc1OC 32781059 GLRFEVROSULFSA-UHFFFAOYSA-N 383.404 2.934 0 40 GFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 32995769 HYSXDVHRJOLNSW-APWZRJJASA-N 383.448 2.789 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2cccs2)cc1 32988805 KEGPRSONQGAZGT-QGZVFWFLSA-N 378.519 2.569 0 40 GFAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 32928963 OZMFLTBIZLQBOL-FQEVSTJZSA-N 399.516 2.750 0 40 GFAB Cn1c(=O)oc2cc(NC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)ccc21 102957628 ZZHYNHCRFLGSMA-QGZVFWFLSA-N 380.448 2.918 0 40 GFAB CCOCn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cn1 2730708 YZONSWPSNXFBNI-UHFFFAOYSA-N 387.461 2.833 0 40 GFAB O=C(CCSCCC(=O)n1nnc2ccccc21)n1nnc2ccccc21 2794964 RREHHJMFVWRUNS-UHFFFAOYSA-N 380.433 2.670 0 40 GFAB COC(=O)c1ccccc1NC(=S)NC(=O)C[C@@H]1C[C@@H](C(C)=O)C1(C)C 3171869 CJNZGFCOGLDAGR-JSGCOSHPSA-N 376.478 2.928 0 40 GFAB Cc1cc(C)n(-c2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2)n1 3468992 DCDVVNXTPBWPAP-UHFFFAOYSA-N 380.429 2.916 0 40 GFAB O=C1CN(C(=O)COC(=O)c2cccc(Br)c2)c2ccccc2N1 3523782 IVHIGXCPYDPGFH-UHFFFAOYSA-N 389.205 2.591 0 40 GFAB COc1ccccc1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl 3545287 IYLIFPAGCJOBLT-UHFFFAOYSA-N 390.823 2.603 0 40 GFAB CCCn1nc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc2c1=O 3563149 UUAVMCJEKKDPFB-HUUCEWRRSA-N 385.464 2.753 0 40 GFAB CCCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 3601071 OOYYBJIHRVMMBM-UHFFFAOYSA-N 395.550 2.602 0 40 GFAB Cc1ccc(S(=O)(=O)N(c2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 4158648 PMUASCFAYXMCMN-SFHVURJKSA-N 393.530 2.994 0 40 GFAB COC(=O)c1c(SC)nn(-c2cc(Oc3ccccc3F)nc(C)n2)c1N 4667868 XKGGPKTZWIOVLA-UHFFFAOYSA-N 389.412 2.993 0 40 GFAB CCOc1ccccc1C(=O)OCc1nc2ccc(OC)cc2[n+]([O-])c1C(C)=O 5478546 UBYYHHNXUFKJIG-UHFFFAOYSA-N 396.399 2.835 0 40 GFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc(Cl)s1 6552739 OINZBIOUQXNPBE-QGZVFWFLSA-N 376.821 2.814 0 40 GFAB O=C1S/C(=C/c2ccccc2)C(=O)N1CCC(=O)N1CCCC[C@@H]1CCO 6660801 OPISTLJTCJWDJU-WECAROLCSA-N 388.489 2.877 0 40 GFAB CCc1ccc(-c2nnn(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)n2)cc1 7041662 KNNZWBUJVBLSRM-CQSZACIVSA-N 390.447 2.666 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1OC 7378681 OIPHNDIWZLXERZ-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 7431089 HNXODKMWKDVLFE-VBQJREDUSA-N 397.475 2.583 0 40 GFAB COc1cccc(NC(=O)CN(C)CC(=O)NC(=O)Nc2ccc(C)cc2C)c1 8065876 ACVFGFQSTIJOEL-UHFFFAOYSA-N 398.463 2.531 0 40 GFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cccc(F)c3)c2n1 8941405 QHYDNTTXTSUOTJ-UHFFFAOYSA-N 388.472 2.938 0 40 GFAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(C3CCCCC3)n2N)c1 8942934 BIKCWIKFSYRIQO-UHFFFAOYSA-N 395.554 2.582 0 40 GFAB O=C1C[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(Cl)cc1 9036649 NMUUCRRHIKGYOY-LBPRGKRZSA-N 382.844 2.811 0 40 GFAB CC(C)SC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 9306723 MBGIYPUASFZKRY-STQMWFEESA-N 389.340 2.932 0 40 GFAB Cc1cc(C)cc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 9385348 BRDWADYZSJYDJB-UHFFFAOYSA-N 380.491 2.638 0 40 GFAB CCOc1ccccc1NC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 10010011 NHYQOEMTTXCUBE-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB CC(=O)c1sc(NC(=O)CCCS(=O)(=O)Cc2ccccc2)nc1C 10686961 BUXSLIOQZJHYPO-UHFFFAOYSA-N 380.491 2.988 0 40 GFAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(CCCO)C3=O)c1 11916395 JXVULPQXCCILHB-FQEVSTJZSA-N 379.416 2.724 0 40 GFAB COCc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)o1 12225748 UJKLQULGYJLFTO-UHFFFAOYSA-N 384.432 2.532 0 40 GFAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCN(C=O)CC1 12407885 OPSYSCNKKVXKNM-UHFFFAOYSA-N 399.394 2.931 0 40 GFAB O=C(NCCc1ccc(F)cc1)c1cc(Br)ccc1-n1cnnn1 12408127 MIJNCADDADCCQQ-UHFFFAOYSA-N 390.216 2.536 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 12769788 VUFQQDDTGRYVMO-GOSISDBHSA-N 391.515 2.993 0 40 GFAB CC(C)[C@@H](CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 12897930 CBHCHIRHODOGAA-LJQANCHMSA-N 381.428 2.972 0 40 GFAB biogenic COc1ccc(Cl)cc1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 14183998 GUFYFXHAZCKJMA-UHFFFAOYSA-N 379.844 2.932 0 40 GFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(C)o2)c(=O)[nH]c1=O 14623296 XWZAETURJQLQOT-UHFFFAOYSA-N 376.457 2.513 0 40 GFAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3c(C)nn4cccnc34)CC1)O2 19218255 KFJMQGPPFSSKCY-UHFFFAOYSA-N 390.443 2.986 0 40 GFAB COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1 19285326 OPQGROSCFQTZCH-QGZVFWFLSA-N 398.850 2.849 0 40 GFAB O=C(CCCc1nc(-c2ccccn2)no1)N1CCC(Oc2cccnc2)CC1 19403105 RDJAQNVDVBXBPV-UHFFFAOYSA-N 393.447 2.919 0 40 GFAB COc1cc(C)c(CN2CCc3c(O)nc(-c4cnccn4)nc3C2)cc1C 19567387 VPZLHTKQTNWGOF-UHFFFAOYSA-N 377.448 2.823 0 40 GFAB O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)CN(C2CCCC2)CCO1 19700901 XFDJBJGKXSJMER-HSZRJFAPSA-N 379.504 2.954 0 40 GFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCCN3CC3CC3)nc2n(C)c1=O 19743654 TWHWAHUWLLGVHI-AWEZNQCLSA-N 396.413 2.588 0 40 GFAB Cc1ccccc1CCNC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1 19749333 CHKHIOQNXNXWKP-UHFFFAOYSA-N 395.503 2.578 0 40 GFAB CC[C@@H](C)n1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c1=O 20622532 BHINFACLPNBGMR-JDNHERCYSA-N 388.855 2.583 0 40 GFAB biogenic COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22539360 SMGCUNOTPMFIHC-UONOGXRCSA-N 394.468 2.687 0 40 GFAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(CCOc3ccccc3)CC2)cc1 22816611 SAEYEYWZWUFNHP-GOSISDBHSA-N 395.503 2.913 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2)N2CCOCC2)cc1 23106334 INUGCUQZLABEFB-LJQANCHMSA-N 376.403 2.777 0 40 GFAB O=C1c2ccccc2C(=O)N1CN1CCN(CCOc2ccc(Cl)cc2)CC1 23325205 WCQUENWBRCNXCX-UHFFFAOYSA-N 399.878 2.590 0 40 GFAB Cc1ccc([C@H](NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1 24762035 CMXHLTLJKIXNKA-IBGZPJMESA-N 398.484 2.662 0 40 GFAB O=C(CN1CCOCC1)Nc1ccc2c(c1)[C@H]1Oc3ccccc3C[C@@H]1CO2 31870847 LNSGFDQMAJJFNX-ZHRRBRCNSA-N 380.444 2.642 0 40 GFAB CN(C(=O)/C=C/c1cccc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 32892929 FOQQJSWYWSWCQX-GNISGLHKSA-N 385.485 2.924 0 40 GFAB CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4nccn4)cc3)CC2=O)cc1 32928147 BYQFXAGWSCFRIS-AWEZNQCLSA-N 393.472 2.981 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)c2cccs2)CC1 35300758 IPRGZYJMKXBYGZ-UHFFFAOYSA-N 393.896 2.807 0 40 GFAB Cc1ccc(Cc2nnc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)o2)cc1 35588336 XPCVFRXPYLFGMS-UHFFFAOYSA-N 390.399 2.875 0 40 GFAB CON(C)C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 36620234 CMNPBATZSXAQFX-UHFFFAOYSA-N 386.832 2.938 0 40 GFAB CC(C)c1nnc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)s1 40104038 LUIMPAVQFOFYCX-LSDHHAIUSA-N 377.514 2.694 0 40 GFAB Cc1cc(C(=O)N2CCN(C(=O)COc3ccc(C(C)C)c(C)c3)CC2)on1 40123092 PVVSCYBBJVVYKT-UHFFFAOYSA-N 385.464 2.778 0 40 GFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2ccco2)CC1 43851056 OFORSPSBGSVSEX-UHFFFAOYSA-N 379.319 2.591 0 40 GFAB CC(=O)Nc1ccc(C(=O)COc2coc(CN3CCCCC3)cc2=O)cc1 44920504 PLAFPBZYBNZGDZ-UHFFFAOYSA-N 384.432 2.846 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3cccs3)C2)s1 45824314 IILMFNJHPKBGRH-CQSZACIVSA-N 398.575 2.878 0 40 GFAB CC(C)Oc1ccc(CCNC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1 48303016 RMPJUQWHJRNIMT-UHFFFAOYSA-N 379.460 2.886 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)c3cccc(N(C)C)c3)n2)cc1 49027312 VRZGNJGDURHODV-UHFFFAOYSA-N 382.420 2.653 0 40 GFAB COc1ccc(CCNC(=O)c2csc(Nc3ncccn3)n2)cc1OC 49032187 DJSNVOPPTCYLFL-UHFFFAOYSA-N 385.449 2.666 0 40 GFAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)cc1OC 51317714 BTXJDENNMDUZCG-UHFFFAOYSA-N 384.411 2.970 0 40 GFAB C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)CC(=O)N2 53399740 FHGJLSDEGVPTBK-JTQLQIEISA-N 399.501 2.997 0 40 GFAB CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3c(C)cc(Br)cc32)N2CCC[C@H]12 55243862 BBMYCHCIBYQNEH-DFHBCGBQSA-N 393.281 2.952 0 40 GFAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 56290871 LVSPRHROIMPKFR-LFYBBSHMSA-N 379.460 2.735 0 40 GFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C)c(C)c2)c1 57333569 XBOVEZCGMNKPEH-UHFFFAOYSA-N 398.459 2.944 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O 57485872 DRPDJCCMYFRFIJ-UHFFFAOYSA-N 387.461 2.590 0 40 GFAB Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)no1 57487116 MWVYSEUXLVFXQJ-UHFFFAOYSA-N 393.359 2.869 0 40 GFAB C[C@@H]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 58167301 GPDREEOSADIGDI-RKVPGOIHSA-N 379.526 2.840 0 40 GFAB CCc1nc(CN(C)S(=O)(=O)c2cnn(Cc3ccccc3)c2)cs1 58195018 SPWTXSBRFXEJKR-UHFFFAOYSA-N 376.507 2.771 0 40 GFAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(F)c(C(N)=O)c3)CCC2)cc1 58356660 ANIIJSSJCNDWAN-UHFFFAOYSA-N 390.436 2.568 0 40 GFAB CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCS(=O)(=O)C2 58481354 PZCGSMJJOJCWRW-UHFFFAOYSA-N 397.449 2.787 0 40 GFAB CC(C)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc2c(c1)OCCO2 58810246 YEKABCSFZGKXST-UHFFFAOYSA-N 395.503 2.911 0 40 GFAB CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(F)cc2)c(S(C)(=O)=O)c1 59419515 IKLGRIOGOHRFFB-INIZCTEOSA-N 397.493 2.974 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCc2sccc2[C@H]1c1ccccc1 65547788 KNEODMVBFGFIOY-RHSMWYFYSA-N 376.503 2.592 0 40 GFAB Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(Cc3ccccc3Cl)C1)CSC2 71283507 FDZOUJMFYFKEGH-GFCCVEGCSA-N 390.896 2.808 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cn1 72377184 MFSIRVRPVQPASJ-KRWDZBQOSA-N 380.427 2.966 0 40 GFAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C2)CC1 78718457 NTMFIMZXUBLACN-RBUKOAKNSA-N 377.573 2.994 0 40 GFAB COC(=O)c1cccc(-c2nnn(CC(=O)N[C@H](C)c3ccc(C)c(C)c3)n2)c1 78876826 GANTZKFZEXZWBF-OAHLLOKOSA-N 393.447 2.621 0 40 GFAB CC(=O)N1CCN(Cc2cccc(NC(=O)c3cccc(Cl)c3F)n2)CC1 95976541 BOYBEMBXLMDDEM-UHFFFAOYSA-N 390.846 2.791 0 40 GFAB CCc1ncnc(N2CCO[C@@H](c3noc(-c4ccc(OC)cc4)n3)C2)c1F 95999720 YBFJEMVAHVMLJS-OAHLLOKOSA-N 385.399 2.815 0 40 GFAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccccc1F 96520905 AKLQOPRUUQYUHW-VIFPVBQESA-N 390.068 2.737 0 40 GFAB CC[C@H](NC(=O)CCc1c(C)nc2[nH]c(C)nn2c1=O)c1ccc(Cl)cc1 102868557 KJMFRCCJDPNOBU-INIZCTEOSA-N 387.871 2.888 0 40 GFAB CN(CC(=O)NCCCc1ccccc1Cl)S(=O)(=O)c1ccccc1 107188953 UUAKWCALRBNVHW-UHFFFAOYSA-N 380.897 2.710 0 40 GFAB CCc1c(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)cnn1-c1ccc(C)cc1 108089292 QYDGYDQWNNKRBT-ROUUACIJSA-N 384.524 2.660 0 40 GFAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 113967470 WXFNBHSTLFXWSQ-LBPRGKRZSA-N 384.860 2.950 0 40 GFAB CCOc1ccc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1OCC 125826708 WOFUSJSJQXWQQK-NQIIRXRSSA-N 384.476 2.984 0 40 GFAB C[C@@H]1[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H]2C[C@H]1C2(C)C 195528635 QNHJMTKJDFGIIU-AYDFFVQHSA-N 397.493 2.528 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222509794 HQFXTBRBWBLAOM-UHFFFAOYSA-N 396.852 2.775 0 40 GFAB CCc1ccc(OCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 223615914 GVOATWWEZDDIPD-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB COCc1cccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 223889901 SYHSXVKJXOKOGH-HNNXBMFYSA-N 376.478 2.935 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)C)c(Cl)c2)cc1 224248176 OGEINOMSGZCAOO-UHFFFAOYSA-N 382.869 2.876 0 40 GFAB CCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224439715 JHMOTECYPFKSEP-UHFFFAOYSA-N 376.478 2.656 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)C(C)C 225233014 BUUVKWZATUBFAH-OAHLLOKOSA-N 382.526 2.573 0 40 GFAB Cn1c(=O)sc2cc(S(=O)(=O)NCCCOC3CCCCC3)ccc21 225680993 XEACGYPGRBDYNZ-UHFFFAOYSA-N 384.523 2.618 0 40 GFAB COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2C)NS(C)(=O)=O)cc1 225955259 WYOIEQMKRZMBKQ-GOSISDBHSA-N 376.478 2.931 0 40 GFAB O=[S@](O)[C@@H]1CC[C@@H](SCC2=C(Br)N3C=CS[C@H]3N2)C1 252694616 NISKMMUDNZQNJR-XLDPMVHQSA-N 383.358 2.833 0 40 GFAB Cc1nc(-c2ccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C 257283610 OYZYXTUDWSIQAD-OAHLLOKOSA-N 380.539 2.808 0 40 GFAB COc1ccc(CC(=O)N2CC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 257301591 RZBKTJFPJBKGKI-MRXNPFEDSA-N 390.447 2.577 0 40 GFAB Cc1ccsc1CN1C[C@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@H]2C1 306128373 GYQOAJMPIUDIPW-ZBFHGGJFSA-N 397.504 2.790 0 40 GFAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408605607 NCPBEUSUAGZAAH-MRXNPFEDSA-N 382.526 2.791 0 40 GFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)c1 409100456 NNDXTZKNWQWYIW-WOJGMQOQSA-N 379.416 2.843 0 40 GFAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 525009956 IOUXSWNSVIJXSB-JTQLQIEISA-N 394.474 2.563 0 40 GFAB O=S(=O)(NC[C@@H](c1ccsc1)n1cccn1)c1ccc(-n2cccn2)cc1 575612924 DJQUJOPDYLGCJL-SFHVURJKSA-N 399.501 2.698 0 40 GFAB O=S(=O)(NCc1nccnc1-c1cccs1)c1cccc2nsnc12 575621086 UOAZFQZFRUUQNB-UHFFFAOYSA-N 389.487 2.688 0 40 GFAB O=C(C1CN(c2nc3ccc(F)cc3s2)C1)N1CCN(c2ccccn2)CC1 585251143 GSQYSCCADTXALT-UHFFFAOYSA-N 397.479 2.615 0 40 GFAB CCOCCOc1ccc(CN(C)C[C@H](O)COc2ccc(OC)cc2)cc1 585269846 MCOBDRHABVJJHY-IBGZPJMESA-N 389.492 2.982 0 40 GFAB Cc1cc(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)c(=O)n(C)c1 1126911159 UHWCPXVUSFZGQQ-UHFFFAOYSA-N 392.246 2.893 0 40 GFAB O=C([C@H]1CNC[C@@H]1C(F)(F)F)N1CCC(Cc2nc(C3CCC3)no2)CC1 1550079099 ZEACKYJWSMWODL-KBPBESRZSA-N 386.418 2.516 0 40 GFAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)c1cccc(Cl)n1)C2 1565554384 YSVLBMYGIGRVPU-UHFFFAOYSA-N 388.855 2.571 0 40 GFAB CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cnc4c(c3)CNC4=O)n[nH]2)c1C 1606919485 KACSGWAWSQWRDC-SNVBAGLBSA-N 393.451 2.752 0 40 GFAB COCc1nsc(N2CCN(c3cc(C(C)(C)C)nc(SC)n3)CC2)n1 1888870039 AXGOXZGUVAOKQZ-UHFFFAOYSA-N 394.570 2.821 0 40 GFAB CCn1cnc2c(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)ncnc21 1888890277 FRFNFUXXTGALLP-UHFFFAOYSA-N 377.374 2.587 0 40 GFAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1cn[nH]c1)CC2 2055793463 HRFBJBPTOIJHTH-UHFFFAOYSA-N 380.471 2.849 0 40 GFAB Cn1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)cc1=O 24496891 UUMKSPRKAHCFPT-UHFFFAOYSA-N 377.485 2.733 0 40 GFAB CCS[C@H](C)c1noc(CN2C[C@H](C(=O)N(C)C)Oc3ccccc32)n1 84811762 ROUITSMQDHAZPD-IUODEOHRSA-N 376.482 2.740 0 40 GFAB NC(=O)c1ccccc1OCCC(=O)Nc1ccc(NC2CCOCC2)cc1 79020907 JHDWVLGGZYLPOZ-UHFFFAOYSA-N 383.448 2.784 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)CCC(C)C)cc1 34799557 YQVJNJFIVRFHMP-CRAIPNDOSA-N 382.526 2.789 0 40 GFAB COC(=O)/C=C1/CC[C@@H]2[C@H](C(=O)C[C@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]23C)[C@@H]1C 4789745 CFNLOOTYKUBPGV-WPCNJSGPSA-N 392.492 2.677 0 40 GFAB CC1([C@@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)OCCO1 4897152 KZHAEHCUKWOTPE-OMQMKBROSA-N 394.552 2.855 0 40 GFAB O=C(Cc1cnn(-c2ccccc2)c1)OCc1cc(=O)n2cc(Cl)ccc2n1 25645275 WNRBLIOELBNJCJ-UHFFFAOYSA-N 394.818 2.820 0 40 GFAB O=C(CSc1nc2[nH]c(=O)[nH]c(=O)c2s1)c1ccc(Cl)c(Cl)c1 4993704 IJGMYWUCYKIRRM-UHFFFAOYSA-N 388.257 2.955 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 7871991 ACJCJFZIAVYKDV-UHFFFAOYSA-N 390.461 2.902 0 40 GFAB O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)N1CCC[C@H](CO)C1 108525631 ORGSRXBAPPXPEL-INIZCTEOSA-N 388.489 2.897 0 40 GFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1 12538700 ORXSXEPRTIZJGK-GJZGRUSLSA-N 397.456 2.708 0 40 GFAB Cc1cc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)nc(C(C)C)n1 27375091 MTBQVJMLXAJWPV-UHFFFAOYSA-N 377.496 2.756 0 40 GFAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)c[nH]1 58032379 QOFZUFXIMHJWIQ-CQSZACIVSA-N 388.427 2.940 0 40 GFAB O=C1CCC2(CCC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1 2051209 IQEFLASPEVLDBI-UHFFFAOYSA-N 390.439 2.671 0 40 GFAB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)cc2NC1=O 12515385 BWXJSIDCMBRAFJ-CVEARBPZSA-N 394.475 2.555 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)cc1 3352988 LPNBLPPQZAVMTN-HXUWFJFHSA-N 381.476 2.855 0 40 GFAB Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccnc(-n3ccnc3)c2)C(C)C)c1 48374497 OMXWVUDUHSKKDX-FQEVSTJZSA-N 391.475 2.647 0 40 GFAB COC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10328095 RNJJLBBAMGVBKP-OAHLLOKOSA-N 376.478 2.869 0 40 GFAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 12809682 KFPTXRKYMWMWTL-UHFFFAOYSA-N 390.386 2.895 0 40 GFAB CN(C(=O)CCCSc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 12819432 LYVDMERBPLESGM-LBPRGKRZSA-N 384.548 2.814 0 40 GFAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(C)CC1 12904178 JMEMEMGEIUAVEG-UHFFFAOYSA-N 376.460 2.936 0 40 GFAB CC(C)Sc1ccc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 48679747 XOABBFOPBDYWLX-OAHLLOKOSA-N 375.538 2.612 0 40 GFAB CC[C@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 9253170 BARQYKCWDRKADO-PBHICJAKSA-N 385.489 2.690 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 5028816 REJKRXSOURNZDT-UHFFFAOYSA-N 385.449 2.793 0 40 GFAB CCOCCCn1c(S[C@@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O 5570617 GSWZPDVHVFCPHP-GFCCVEGCSA-N 382.507 2.909 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 5674642 RWAJJZRDUSJTKC-UHFFFAOYSA-N 382.844 2.626 0 40 GFAB COc1cc(OC)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 5636458 HFHANMKFBJKEGR-UHFFFAOYSA-N 390.461 2.741 0 40 GFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 6740910 PLVABSYTJINHJE-FQEVSTJZSA-N 381.476 2.916 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c1 4852389 BYTAHNZJSYOMKR-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB CCOC(=O)c1[nH]c(CSCC(=O)N[C@H](C)CC)c(C(=O)OCC)c1C 6930888 XEDDUWIHUIPXNQ-LLVKDONJSA-N 384.498 2.824 0 40 GFAB COc1ccc(OCCCN2C(=O)[C@](O)(CC(C)=O)c3cc(C)ccc32)cc1 4987944 LJULNTYFTKHBSY-QFIPXVFZSA-N 383.444 2.986 0 40 GFAB COC(=O)c1c(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)sc(C)c1C 7640183 OLWPSKYFEQCVFC-UHFFFAOYSA-N 390.461 2.951 0 40 GFAB C[C@@H](NC(=O)CNC(=O)COc1ccccc1)c1ccccc1Br 8088499 AWJFXYQIFFMEPJ-CYBMUJFWSA-N 391.265 2.822 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2NC1=O 8016441 YSYUCLWDXIWDKT-ZDUSSCGKSA-N 379.416 2.781 0 40 GFAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1 8751842 JJUOXAZIHKOTHI-INIZCTEOSA-N 392.814 2.630 0 40 GFAB COc1cc(F)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1OC 26530236 ORRIDXJIIFSEHS-UHFFFAOYSA-N 395.334 2.562 0 40 GFAB CCN(c1ccc(C(=O)NCc2ccccc2OC)cc1)S(=O)(=O)CC 113971726 GBFWDQGHTXTUFW-UHFFFAOYSA-N 376.478 2.801 0 40 GFAB COc1cn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(CO)cc1=O 71280366 VDYHWXIEIKAFAJ-UHFFFAOYSA-N 380.400 2.780 0 40 GFAB CCN(CCNC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1C 72294498 JDDKRCOSBCACMP-UHFFFAOYSA-N 395.551 2.545 0 40 GFAB CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1CCCN1c1nc2ccccc2o1 675007679 GVXJKPLJXXFDKX-OAHLLOKOSA-N 388.468 2.828 0 40 GFAB CC(C)(C)OC(=O)N1CC2(C1)CC(NC(=O)OCc1ccccc1)(C(=O)O)C2 306145783 PZWRHJMVOWIRBQ-UHFFFAOYSA-N 390.436 2.767 0 40 GFAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 306125901 DFDLGRGLDMYOGS-JTHBVZDNSA-N 395.478 2.828 0 40 GFAB O=C(CCc1nnc2ccc(NCCc3cccs3)nn12)N1CCCCC1 32093252 IRDDDUCTQZWYME-UHFFFAOYSA-N 384.509 2.786 0 40 GFAB COc1ccc([C@H](NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C2CC2)cn1 528965622 YKRLVTPABXZYHL-GOSISDBHSA-N 397.414 2.786 0 40 GFAB CCOc1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219723131 NCNJPQSZHXPSDG-UHFFFAOYSA-N 390.505 2.802 0 40 GFAB CC(C)CNS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217554503 MKMLTJCZBVGHHV-UHFFFAOYSA-N 376.478 2.974 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 31352172 SCLJPYZCQBSANK-UHFFFAOYSA-N 390.480 2.764 0 40 GFAB COCCNS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217597005 OJRUJIZHTIZPII-UHFFFAOYSA-N 382.482 2.612 0 40 GFAB CC(C)OCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 217495458 KTVVCDZDJJODJP-UHFFFAOYSA-N 396.465 2.683 0 40 GFAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)cc1OC 225753951 QTPBEBLIMQXQCV-UHFFFAOYSA-N 394.471 2.994 0 40 GFAB O=C(Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCCN1C(=O)C1CC1 48374814 KZGSUVVQZUTMPZ-ZDUSSCGKSA-N 395.253 2.560 0 40 GFAB CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)c(C)c1 224637997 QBNHSWUJLDRRPB-UHFFFAOYSA-N 379.434 2.682 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223797144 MHOHETWBLMBFHM-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@@H]2C)n1 225897635 LPRHHAQFOTWXKD-HNNXBMFYSA-N 392.573 2.779 0 40 GFAB Cc1cc(C)nc(Nc2ccc(C(=O)NCCSc3nc(C)n[nH]3)cc2)n1 225912699 BGSQXANPIBPDPD-UHFFFAOYSA-N 383.481 2.786 0 40 GFAB COc1cccc(C(=O)N2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)c1 96244093 VULGVSVXDHQBNU-QFIPXVFZSA-N 394.475 2.621 0 40 GFAB Cc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc1S(C)(=O)=O 580757417 PTBOFKQCMIOLSE-OAHLLOKOSA-N 376.482 2.747 0 40 GFAB COc1ccccc1C(=O)N1C[C@H](OCc2nc3ccccc3n2C)[C@H](F)C1 96111984 WMMQFKDYNVRYCH-BEFAXECRSA-N 383.423 2.961 0 40 GFAB biogenic,in-vitro O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)c3ccc(F)cc3)C2)C1 96074334 HGMYPXZQLYHOGD-HXUWFJFHSA-N 382.395 2.611 0 40 GFAB COC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242574916 NJKCGWPFHISCLX-LMMKCTJWSA-N 375.515 2.854 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2ccncc2)Oc2ccccc21 247502856 QLHHWEITWDYDSE-PDPLOHQNSA-N 391.471 2.695 0 40 GFAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 257240251 HSSZLNUCBKRYPI-QGZVKYPTSA-N 383.536 2.744 0 40 GFAB Cc1ccc(OCC(=O)N[C@H](C)C(=O)O)c(-c2cc3ccccc3c(=O)o2)c1 256028067 RIPHODJQLAKJBO-CYBMUJFWSA-N 381.384 2.737 0 40 GFAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN(C(=O)CCN3CCCCC3)C2)n1 257255709 KINUCQHRFKPLCG-GOSISDBHSA-N 396.539 2.768 0 40 GFAB COc1cccc([C@H](CNC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)N2CCCC2)c1 626744055 AVHKAZOFGCGAKQ-SNRMKQJTSA-N 389.496 2.584 0 40 GFAB CC(C)C[C@H](C(=O)O)C(=O)N[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 670419316 QZXLHNSJIRRTJP-HOTGVXAUSA-N 378.469 2.943 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831616 SWWABAXCMOYENB-FHVRUZERSA-N 399.468 2.817 0 40 GFAB O=C(Cc1ccc(F)cc1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585105414 WHDUDZLSWJHYIW-GOSISDBHSA-N 379.497 2.898 0 40 GFAB O=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 5330024 RYFLZJPTYMUXRD-UHFFFAOYSA-N 388.445 2.776 0 40 GFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2c(F)cccc2F)Oc2ccccc21 13679140 XNLVHJJYVMNDML-HNNXBMFYSA-N 382.388 2.521 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2cccc3cccnc23)CC1 14900604 KUSJAXCEPRVNAW-UHFFFAOYSA-N 375.428 2.922 0 40 GFAB O=C(COc1ccccc1F)OCc1cc(=O)n2c3c(sc2n1)CCCC3 15734172 AABMZRVWTAETLW-UHFFFAOYSA-N 388.420 2.896 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCc1ccc(F)cc1 15789516 NLQFYHLJUHTHMP-UHFFFAOYSA-N 390.480 2.891 0 40 GFAB NS(=O)(=O)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 19171407 TZBUONLJJGGQQA-UHFFFAOYSA-N 386.517 2.748 0 40 GFAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC(C)C)CCO1 19446528 JWOKUKDNBXQAAG-QHCPKHFHSA-N 395.503 2.681 0 40 GFAB Cc1cnn(CCC(=O)N2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c1 19712655 DYHLDWRCXZCCBI-JQVVWYNYSA-N 380.492 2.635 0 40 GFAB CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](C)c3ccccc3OC)ccc21 19936881 OTQKXDBVWPRLLF-GFCCVEGCSA-N 376.434 2.663 0 40 GFAB O=C(CN1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21)NC1CC1 12188369 BIEMNKPLCGSGPM-PBHICJAKSA-N 395.425 2.520 0 40 GFAB CCSc1ccccc1C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 245053546 OZCPKJIXOFIMSH-UHFFFAOYSA-N 398.532 2.930 0 40 GFAB CCOc1cc2c(cc1CN1CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C1)OCO2 19532469 BTFFTXSAMUMYNP-OAHLLOKOSA-N 385.464 2.894 0 40 GFAB C=Cn1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](CO)C4)nc2C3)c1C 257283242 OXKZAAQANIRXDJ-MDKPJZGXSA-N 394.523 2.553 0 40 GFAB COc1cc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)cc(OC)c1OC 23140547 JDFRBSJKPRFXLI-LBPRGKRZSA-N 377.466 2.892 0 40 GFAB CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21 4484560 ZRCSYOFYLJELSM-UHFFFAOYSA-N 398.488 2.726 0 40 GFAB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc2c(c1)OCCO2 19080103 HHFXKKNXJOTELP-SNVBAGLBSA-N 377.447 2.502 0 40 GFAB COc1ccccc1N1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1 16024684 CDQJVNGUAIBDER-UHFFFAOYSA-N 377.448 2.547 0 40 GFAB CCS(=O)(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccsc2)CC1 2056225590 SPEZXZCNRHFBDE-QGZVFWFLSA-N 384.567 2.733 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CS(=O)(=O)C3)cc1 4088663 BOZLBUJHOHMEBN-UHFFFAOYSA-N 389.458 2.623 0 40 GFAB COc1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)o1 4348235 JQSPINWSAHBCRP-UHFFFAOYSA-N 387.417 2.548 0 40 GFAB COc1cccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c1 4327031 SZOLSZWKKAKKNG-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB Cc1ccc(CNC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)cc1 4479048 INGJCHZWXOCAHR-UHFFFAOYSA-N 387.443 2.515 0 40 GFAB COCCNC(=O)Cn1cc(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 8865352 VSIDQLPAFIXHII-UHFFFAOYSA-N 386.473 2.545 0 40 GFAB CCOc1cccc2cc(S(=O)(=O)N3CCc4ccccc4C3)c(=O)oc12 15862223 RXKXVLIZYHNVPL-UHFFFAOYSA-N 385.441 2.939 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)CCNc2ncnc3sc(C)cc23)C1 31866333 QDJRYOUMSOMIHR-ZDUSSCGKSA-N 376.482 2.603 0 40 GFAB O=C(c1ccc(OC2CCOCC2)nc1)N1CCN(CCc2ccccc2)CC1 225711688 OVHSCRPOXMRZHW-UHFFFAOYSA-N 395.503 2.640 0 40 GFAB O=C(Nc1nccs1)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 44226659 BTYAWMLENHYQAX-UHFFFAOYSA-N 383.429 2.740 0 40 GFAB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1C 791131 ZURKWWPXKLXQEO-UHFFFAOYSA-N 389.408 2.721 0 40 GFAB CC(=O)c1ccccc1NCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 30291501 GBSRXTYZAJDWJB-KRWDZBQOSA-N 392.521 2.650 0 40 GFAB O=C(CCc1nc(-c2cccs2)no1)N1CCN(c2nccs2)CC1 40025608 HYPIYMGUURQNER-UHFFFAOYSA-N 375.479 2.536 0 40 GFAB COc1ccc(CN2CCN(C(=O)[C@@H](C)Sc3nncs3)CC2)cc1F 40135742 OBLZXQCLCNPKDE-GFCCVEGCSA-N 396.513 2.511 0 40 GFAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCCc3ccccc3)n2)cc1 20738606 TXERQXSJPFAABU-UHFFFAOYSA-N 380.404 2.580 0 40 GFAB COC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(Nc2ccc(OC)cc2)s1 32593941 RHYBGFIYDLBCIR-HNNXBMFYSA-N 398.444 2.934 0 40 GFAB Cc1nc2ccccc2nc1COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 32910214 MZKDGZXJSUTIOU-CYBMUJFWSA-N 375.384 2.666 0 40 GFAB CCN(CC)C(=O)CN1CCN(C(=O)c2sc3cccc(F)c3c2C)CC1 53197153 MVXLSLUBOXKYGQ-UHFFFAOYSA-N 391.512 2.975 0 40 GFAB O=C1COc2cc(C(=O)Nc3ccccc3I)ccc2N1 22590859 XELVCRSNGXOGIL-UHFFFAOYSA-N 394.168 2.874 0 40 GFAB Cn1ncc2c(=O)n(CC(=O)OCc3sc4ccccc4c3Cl)cnc21 22282468 WWKBSHOZLLIUMJ-UHFFFAOYSA-N 388.836 2.742 0 40 GFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(O)c2)cc1 944365 NTYKHNUHKNTOIY-SFHVURJKSA-N 377.404 2.920 0 40 GFAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCCCN1CCCC1=O 2782203 NZKATAHTSDCWRS-JTQLQIEISA-N 380.798 2.553 0 40 GFAB CNC(=O)[C@@H](C)OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 26492494 RWVMXGVEQAZDHN-SECBINFHSA-N 393.793 2.648 0 40 GFAB O=C(OC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3193229 KACNDHQWPAVNTM-AWEZNQCLSA-N 395.506 2.720 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 107450038 JSWQGNRIQXFUOC-AXHCTEGFSA-N 376.522 2.826 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)CC)cs2)cc1 6680385 BGPFNADYMHHORB-UHFFFAOYSA-N 396.490 2.818 0 40 GFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 7232389 WVDIUCIKTINJFY-ZBFHGGJFSA-N 384.407 2.917 0 40 GFAB CC[C@H](C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1 7423019 QTDPLLVDIGFLAF-HNNXBMFYSA-N 377.448 2.885 0 40 GFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)OCc1nnc(-c2ccccc2)o1 7739301 DSWWIHUKFOQNPF-UHFFFAOYSA-N 379.294 2.661 0 40 GFAB COCCn1c(SCC(=O)NCc2ccccc2)nc2ccsc2c1=O 57425674 LATMZBIHTSIQBC-UHFFFAOYSA-N 389.502 2.513 0 40 GFAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 8494578 PQUAJSQMEVWDAV-UHFFFAOYSA-N 384.567 2.972 0 40 GFAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCS(C)(=O)=O)CC2 58013849 RVDCPZWPPJFNTM-SFHVURJKSA-N 381.519 2.757 0 40 GFAB COc1ccc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1OC(F)F 58157347 CMBLIJSATODLLS-UHFFFAOYSA-N 398.391 2.688 0 40 GFAB O=C1CN(S(=O)(=O)c2ccc(Cl)s2)C[C@H]2c3ccccc3CCN12 36071111 VHJJWGAPUNKZOC-ZDUSSCGKSA-N 382.894 2.532 0 40 GFAB Cc1ccnc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1 27646402 OSKQNOSCCSGGSO-QFIPXVFZSA-N 388.427 2.949 0 40 GFAB COCCn1nnnc1[C@@H](C(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 57670042 RUQUOMZBQAQEBU-GOSISDBHSA-N 392.935 2.801 0 40 GFAB CS(=O)(=O)c1nc(C(=O)NC2(c3ccc(F)cc3)CCC2)c2ccccn12 58421192 NHTYHAYMVAPXDG-UHFFFAOYSA-N 387.436 2.686 0 40 GFAB C[C@H](OC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)C(=O)NC(N)=O 12549165 JLMWZYNYYOCHQK-JTQLQIEISA-N 393.346 2.772 0 40 GFAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1 2419896 ZEHZHOVRKJMWIS-IBGZPJMESA-N 378.428 2.908 0 40 GFAB COc1cc(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)ccc1N1CCCC1=O 11446324 NPVAGWBIDIONPA-HNNXBMFYSA-N 395.459 2.887 0 40 GFAB COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 29117935 VDNZNRMNHMVISM-LFYBBSHMSA-N 380.444 2.702 0 40 GFAB COCCN(CCOC)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 29489272 NTUNMXNKWOCKET-UHFFFAOYSA-N 377.462 2.921 0 40 GFAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc2c(O)[nH]c(=S)nc2c1 47093050 OHENZBBBHDCJHR-AWEZNQCLSA-N 377.372 2.740 0 40 GFAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccc(F)c1 101188605 BUIRXUKDPLWXQU-RYLXDESZSA-N 394.439 2.769 0 40 GFAB CN(C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)c1ccccc1 57428812 PXXZPLJXNZYKNI-UHFFFAOYSA-N 391.452 2.877 0 40 GFAB COC(=O)c1cccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 12774366 GYRMLNGEXPPACF-UHFFFAOYSA-N 397.406 2.971 0 40 GFAB COc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 12974960 AXWVLGNMEVLAPE-UHFFFAOYSA-N 395.503 2.719 0 40 GFAB CCCSc1nn(CCN(C)C)c2nc3sc4c(c3c(=O)n12)CCC4 71280935 OWOLCNBJSROOCL-UHFFFAOYSA-N 377.539 2.658 0 40 GFAB COc1ccc(-c2nc(CC(=O)OCC(=O)NCC(C)C)cs2)cc1OC 6006980 STJCUWHAPROOGR-UHFFFAOYSA-N 392.477 2.685 0 40 GFAB COc1ccc(NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 23234576 IBOIQZHNWQULFX-UHFFFAOYSA-N 391.493 2.845 0 40 GFAB CCCOc1ccccc1C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4295495 STRQNYLPBSAHGW-OAHLLOKOSA-N 377.462 2.898 0 40 GFAB CC(C)NC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)NC(C)C)s1 14198839 JZILZLVMIWOBKQ-NXEZZACHSA-N 376.573 2.549 0 40 GFAB CCC1(CC)CC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 14202022 YDNOBYBMXOEYAS-UHFFFAOYSA-N 398.429 2.745 0 40 GFAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)o2)cs1 14200822 YVVUVZQHHMUNCG-GJZGRUSLSA-N 399.472 2.669 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1 4694243 OIMJAUCPBZSVMS-YOEHRIQHSA-N 378.469 2.754 0 40 GFAB Cc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 20244580 FXBJONZJZOHNLS-UHFFFAOYSA-N 375.494 2.863 0 40 GFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CNC(=O)c1ccccc1 5862872 IXKKVEPUDPIPQP-BPQIPLTHSA-N 375.465 2.964 0 40 GFAB Nc1nc(N)nc(COC(=O)c2ccccc2-c2nc3ccccc3s2)n1 6990666 IZVJCBCXBCSEHS-UHFFFAOYSA-N 378.417 2.670 0 40 GFAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NCCC(C)C)nc23)c(C)c1 67255591 VMNIFIDCCGJWSD-UHFFFAOYSA-N 399.520 2.821 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1C 7090478 ULXPPSTZKBDBNJ-GFCCVEGCSA-N 397.460 2.931 0 40 GFAB NS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1Cl 15926609 PKNIIZCQQWQZQT-UHFFFAOYSA-N 382.913 2.934 0 40 GFAB CCc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 15953999 HMODSEUUTCJCOO-KSFYIVLOSA-N 385.460 2.888 0 40 GFAB biogenic CCOc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1OC 18049426 ZMSBLRKRBKTDMQ-UHFFFAOYSA-N 382.338 2.880 0 40 GFAB CCc1ccc([C@H](NS(=O)(=O)N2CCC(C(=O)OC)CC2)C(C)C)cc1 95954645 UHDWMPCNRZOGHF-GOSISDBHSA-N 382.526 2.666 0 40 GFAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC(C)(C)C 409375902 QOTCMCWWCNQINV-UHFFFAOYSA-N 382.526 2.900 0 40 GFAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)n1 306138727 SFUASXMBNIUGOK-SJORKVTESA-N 388.475 2.538 0 40 GFAB CN1CC2(CCN(Cc3cccnc3)CC2)c2nn(CC3CCC3)cc2C1=O 306122973 ABEGHSMLZJUYQU-UHFFFAOYSA-N 379.508 2.698 0 40 GFAB CN(C)CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 68741126 RHASTBCDJAQGAC-UHFFFAOYSA-N 378.338 2.954 0 40 GFAB O=C(NCC1CCOCC1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 72402587 NMOHSOJRQICMTI-UHFFFAOYSA-N 383.492 2.746 0 40 GFAB O=C1COc2cc(C(=O)N3CCC[C@H](OCc4ccccc4F)C3)ccc2N1 526936254 SYDUCROPXSBNJV-INIZCTEOSA-N 384.407 2.978 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2ccccc2Cl)Oc2ccccc21 38857439 HINHDXSWSZQBRL-QGZVFWFLSA-N 394.880 2.574 0 40 GFAB COc1cccc(C2=NN(C(=O)c3cccc(O)c3)[C@](O)(C(F)(F)F)C2)c1 32101328 MFGKEIQRDFAWLQ-QGZVFWFLSA-N 380.322 2.902 0 40 GFAB COC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](C)n2nc(C)cc2C)cc1 36614991 GPQJMWQDNCKEIA-CYBMUJFWSA-N 380.470 2.608 0 40 GFAB CC[C@H](CCNS(=O)(=O)c1cn(CC)nc1C)n1ccc(C(F)(F)F)n1 36614894 ZPVNZHZSXORTGV-GFCCVEGCSA-N 393.435 2.746 0 40 GFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)C2CCC2)cc1 72376993 WRELUKXMUHXXGT-KRWDZBQOSA-N 379.464 2.678 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(C)c4ccccc34)C2=O)o1 34835764 VCNHTRFTCUJUGE-YBEGLDIGSA-N 393.399 2.959 0 40 GFAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccn(Cc2ccccc2Cl)n1 32647776 YSLREXZKAXKLRA-UHFFFAOYSA-N 393.838 2.742 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)cc1F 70636124 OZZKIOVJTHJWGW-SFHVURJKSA-N 375.421 2.999 0 40 GFAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3ccc4[nH]c(C)nc4c3)C2)c1 72392176 OSXSIVIIPPEYHF-HNNXBMFYSA-N 378.432 2.981 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(-n2ccnc2C)cc1 223712618 RNGRPDFJJGCPIR-UHFFFAOYSA-N 375.425 2.807 0 40 GFAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 44908699 STEUOTINNHWBCF-QGZVFWFLSA-N 384.476 2.725 0 40 GFAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2ccc[nH]c2=O)cc1 95473309 IEPAMYFJESTZEK-OAHLLOKOSA-N 382.401 2.683 0 40 GFAB Cn1cncc1-c1nccnc1C[C@@H]1CCCN(C(=O)Cc2cccs2)C1 257260272 LCBYSHVXKPTVPD-HNNXBMFYSA-N 381.505 2.962 0 40 GFAB COc1ccc(-c2cccc([C@@H]3CN(C(=O)c4nonc4C)CCO3)n2)cc1 257299413 RPZJIANZYPUODZ-SFHVURJKSA-N 380.404 2.662 0 40 GFAB COc1ccccc1CN(C)C(=O)c1ccccc1-n1cnc(CNC(C)=O)c1 257270960 MWHPMFLOUSASEU-UHFFFAOYSA-N 392.459 2.789 0 40 GFAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 257222279 DSQPILGCXVGEAU-JCNLHEQBSA-N 383.496 2.641 0 40 GFAB Cc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1[C@H]1CCNC1 656561001 OAZKFSAFAJWGFU-LBPRGKRZSA-N 375.230 2.600 0 40 GFAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc1 96025113 RUNPHDZGXRYUEM-UHFFFAOYSA-N 377.400 2.667 0 40 GFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 96376129 HWPVONVGGJHLBY-UHFFFAOYSA-N 377.462 2.984 0 40 GFAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 575421696 LERIWQBXHQSXJB-GOSISDBHSA-N 391.514 2.805 0 40 GFAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3cccs3)[C@H]3OCC[C@H]32)cc1 585109321 ITOUIXXCKWZBTF-NLWGTHIKSA-N 384.501 2.531 0 40 GFAB O=C(/C=C/c1cccnc1)N1CCC(c2nccnc2Nc2ccccn2)CC1 585292183 FPSMTUGGKLVPKD-VOTSOKGWSA-N 386.459 3.430 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)C2)cc1 828251615 VFEWOXPEZDMPSQ-CYBMUJFWSA-N 390.486 2.580 0 40 GFAB O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CC[C@@H](Oc2nccs2)C1 585320781 ROMGNOUGGIRABB-UKRRQHHQSA-N 384.461 2.933 0 40 GFAB O=C(c1ccc(Br)s1)N1CCC[C@H](c2ccnc3ncnn23)C1 12118849 XMESUTKYWJHMLF-JTQLQIEISA-N 392.282 2.968 0 40 GFAB COc1ccc(OC)c(-c2cc(C(=O)NCc3n[nH]c4c3CCCC4)[nH]n2)c1 12147350 STCZWZICWXZPJQ-UHFFFAOYSA-N 381.436 2.626 0 40 GFAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC(C(N)=O)CC1 12222783 XEJJHLJCNQNQKG-UHFFFAOYSA-N 391.475 2.521 0 40 GFAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1nc2ccccc2s1 12409700 GCCKWVUHTQGALA-XHDPSFHLSA-N 383.429 2.580 0 40 GFAB N=C(NC1=N[C@@H](CC(=O)Nc2cccc(Cl)c2)C(O)=N1)Nc1ccccc1 13683412 QGJFNYISYBGCCY-AWEZNQCLSA-N 384.827 3.000 0 40 GFAB CNC(=O)[C@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)C(C)=O 16138790 IAGSLKAUNPLQOV-CQSZACIVSA-N 386.351 2.778 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 18151273 STCGWHMRSDRFSX-UHFFFAOYSA-N 390.505 2.701 0 40 GFAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 19020889 KVNAQYYOTPNCNK-MAUKXSAKSA-N 375.469 2.941 0 40 GFAB CCOc1ccc(-n2nnc(C(=O)N(C)Cc3c(C)nn(C)c3C)c2C)cc1 19533640 RHNORZCNACEJQV-UHFFFAOYSA-N 382.468 2.597 0 40 GFAB Cc1nn(C(C)C)cc1S(=O)(=O)NCc1cccc(OC[C@H]2CCCO2)c1 19583333 APENJRGULNCNFY-GOSISDBHSA-N 393.509 2.809 0 40 GFAB Cn1c(=O)cc(C(=O)Nc2ccc(N3CCCC3)c3nonc23)c2ccccc21 19666171 ZGOQHEUEOWUKTI-UHFFFAOYSA-N 389.415 2.927 0 40 GFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1 19692658 ALTXWDVZKGHRKG-IBGZPJMESA-N 396.470 2.656 0 40 GFAB Cc1ncc(C(=O)N2CCC(CC(=O)NCCc3ccccc3F)CC2)c(C)n1 19748464 KJBJGZWJZHYODF-UHFFFAOYSA-N 398.482 2.834 0 40 GFAB COc1ccc(CN2CCc3c(nc4cc(-c5cc(C)on5)nn4c3O)C2)cc1 12185484 LDBYFMRGIHTNGT-UHFFFAOYSA-N 391.431 2.965 0 40 GFAB Cc1cc(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 7833585 YIBCAJJJTAVXTN-KBPBESRZSA-N 378.519 2.636 0 40 GFAB O=C1COc2ccccc2CCCC[C@H]2CN(Cc3cncnc3)CC[C@H]2N1 2037844045 LURPMNSMGGZDLE-VQTJNVASSA-N 380.492 2.589 0 40 GFAB COc1ccc(N2C[C@H](NC(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1OC 4374619 QIHRNWFQJVQBPC-MRXNPFEDSA-N 397.431 2.833 0 40 GFAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(F)cc1F 8864256 YXMMSKLLTOFRQH-INIZCTEOSA-N 379.432 2.918 0 40 GFAB O=c1c2ncccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccccn1 9001156 YVMWQMVCFHUNPM-UHFFFAOYSA-N 378.819 2.703 0 40 GFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661325 SIYMDVGAEUKXFO-UHFFFAOYSA-N 376.391 2.745 0 40 GFAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cccs2)C1 2055751086 GMLZQONGKQDRKV-HXUWFJFHSA-N 387.505 2.598 0 40 GFAB Cc1csc(C(=O)N2CC[C@H]3OCC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)c1 2055718090 ICTRJSLDPWRWOM-IXDOHACOSA-N 385.489 2.957 0 40 GFAB C[C@H](OC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)C(=O)N1CCNC1=O 40010006 AHPURCZNNAFWJQ-AWEZNQCLSA-N 391.427 2.942 0 40 GFAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)n1 40154342 IEECCDQPAXIAIZ-AWEZNQCLSA-N 386.500 2.634 0 40 GFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 31776746 OSZWJUIUQCPZEK-UHFFFAOYSA-N 396.852 2.849 0 40 GFAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100892389 UMAMHMRHBSSIHY-SJLPKXTDSA-N 381.819 2.972 0 40 GFAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]23)c1 101256554 PSTANYGNNAJGHX-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 32594585 PXCIIUWMNFDGHA-DINDLPBHSA-N 378.450 2.907 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)o1 32934523 LPLMOJJLVIMLHH-UHFFFAOYSA-N 397.928 2.501 0 40 GFAB CCCCN1C(=O)[C@](NC(=O)CC(C)C)(C(F)(F)F)C(C(=O)OC)=C1C 12419958 DULBTAXYEZYNKC-INIZCTEOSA-N 378.391 2.539 0 40 GFAB COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1 24597600 JNWSEGGJGIBOOB-INIZCTEOSA-N 394.518 2.535 0 40 GFAB COc1ccc(-c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC 862228 MKECSMVEHOBHIW-UHFFFAOYSA-N 387.827 2.958 0 40 GFAB COc1ccc(-c2noc(CCC(=O)Nc3cnn(C[C@H]4CCCO4)c3)n2)cc1 43282447 WEXFZEOLMBBINX-QGZVFWFLSA-N 397.435 2.692 0 40 GFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 24992295 LTCMGKGQUCTNFK-LJQANCHMSA-N 375.432 2.570 0 40 GFAB CCCCNC(=O)[C@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 4435652 OOUATBHHRPNRID-INIZCTEOSA-N 391.265 2.951 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)C1 57477131 HXTFIVRJDYMZOL-ZDUSSCGKSA-N 387.436 2.509 0 40 GFAB COC(=O)/C(=C/Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 100025844 WWYMEJVXJPNBLD-SXGWCWSVSA-N 395.820 2.969 0 40 GFAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 1981590 SVRPWEMISHCDPC-NSHDSACASA-N 378.787 2.779 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12550650 NOGHRKHHGNDELG-CQSZACIVSA-N 385.445 2.698 0 40 GFAB O=C(Cc1noc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 58192501 UDYHOYYOYPTERV-IBGZPJMESA-N 377.444 2.720 0 40 GFAB Cn1cc(C(=O)NCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cn1 58214247 OGRNKWJTLOSQJK-UHFFFAOYSA-N 375.860 2.747 0 40 GFAB O=C(NCc1ccccn1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 9185402 QGFKWWJPGMSINF-UHFFFAOYSA-N 393.468 2.763 0 40 GFAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1N1CCOCC1 9388832 NNJUSVWTPMMJRD-HZPDHXFCSA-N 395.573 2.558 0 40 GFAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C 55991414 GFPBYRRCOWALND-CQSZACIVSA-N 397.518 2.755 0 40 GFAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)o1 29371514 YZVKALCHPWQTLU-SMDDNHRTSA-N 376.434 2.555 0 40 GFAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4cc(C)ccc4n3)C(=O)[C@H]2C)cc1 11609741 OEFNUDJAMTYEMX-OAHLLOKOSA-N 376.416 2.669 0 40 GFAB O=c1oc2cc(S(=O)(=O)N3CCCC3)ccc2n1Cc1ccccc1F 11689654 OMGUYSQHXBFEEK-UHFFFAOYSA-N 376.409 2.566 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c(OC)c1 101233900 WLYMOGHIHHZROX-MJGOQNOKSA-N 380.400 2.613 0 40 GFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccs2)N1Cc1cccnc1 12324268 BXCASFGAMUQNEQ-HKUYNNGSSA-N 386.498 2.992 0 40 GFAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1N1CCOCC1 12608824 ZHLHCTBBXCWRKT-UHFFFAOYSA-N 389.402 2.560 0 40 GFAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 48263549 VHCUBLHDHNREPP-UHFFFAOYSA-N 387.505 2.796 0 40 GFAB COc1cccc(CCCNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 22327763 GWTKWWXREANEJO-UHFFFAOYSA-N 390.505 2.519 0 40 GFAB C[C@H](C(=O)N1CCc2ccccc21)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3336153 WXPANJTVOCOXFO-CMJOXMDJSA-N 389.455 2.748 0 40 GFAB C[C@H](OC(=O)c1cnn(-c2ccccc2)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 12884888 IVAMCNMFRYANRV-ZDUSSCGKSA-N 391.383 2.631 0 40 GFAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 12936162 ZNVIJQMAKIWLNN-NSHDSACASA-N 389.315 2.762 0 40 GFAB COc1ccc(C2=NO[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)C2)cc1 5029232 CAJUQMFQWBGQAY-FQEVSTJZSA-N 384.432 2.564 0 40 GFAB biogenic Cc1c(C)c2ccc(OCC(=O)N[C@H](CO)c3ccccc3)c(C)c2oc1=O 6760723 DTCWHADXCOYSKO-GOSISDBHSA-N 381.428 2.947 0 40 GFAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1 5777935 PXZLHFMUVYXJIS-ZHACJKMWSA-N 379.372 2.940 0 40 GFAB COc1cc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)cc(OC)c1 4852488 UPIYGTBGUGHTSQ-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCc2ccc(F)cc2F)cc1 67198675 ZMUPECJOZIWQPF-UHFFFAOYSA-N 399.397 2.822 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)N3CC(=O)Nc4ccccc43)CCC2=O)c1 5938913 ATGHGNJJOQRYNR-UHFFFAOYSA-N 376.416 2.772 0 40 GFAB O=C(C[C@H]1CCS(=O)(=O)C1)OCc1ccc(C(=O)Nc2ccccc2)cc1 7631017 PJNGZSSIZHRJOK-MRXNPFEDSA-N 387.457 2.807 0 40 GFAB CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 7987341 SDJVPVAZZMNVKU-FQEVSTJZSA-N 386.517 2.798 0 40 GFAB O=C([C@H]1CN(Cc2nc3ccccc3s2)c2ccccc2O1)N1CCOCC1 8026393 MTKRLGOSVRVHEV-GOSISDBHSA-N 395.484 2.923 0 40 GFAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 9690099 QDQKRXGPUZFSLB-LBPRGKRZSA-N 384.807 2.600 0 40 GFAB CN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 306143190 XVNOKLACECYZDA-QFIPXVFZSA-N 376.508 2.720 0 40 GFAB CCCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@](O)(C(F)(F)F)C1 409346999 MZCQOPNEZGNFLG-MRXNPFEDSA-N 387.358 2.663 0 40 GFAB COc1ccccc1CC(=O)N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1 95998209 XRPPYYAXDFOGQT-GOSISDBHSA-N 376.460 2.551 0 40 GFAB O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 95992010 QOZMTADFYMSFFZ-NSHDSACASA-N 398.253 2.937 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3c(C)nn(C)c3C)n[nH]1)CC2 85878737 SNNGFWOKHUZNAN-UHFFFAOYSA-N 395.463 2.643 0 40 GFAB biogenic COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1 95452378 LAXOGLAKYYPYIX-KRWDZBQOSA-N 382.460 2.727 0 40 GFAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccco4)cc3)nn12 408620471 JFMNVFZYMYKPPN-UHFFFAOYSA-N 398.473 2.559 0 40 GFAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 409149171 YMGUCJRDZJYIIL-INIZCTEOSA-N 390.505 2.973 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218428345 DIILFAYCTWVVDP-XYJFISCASA-N 379.865 2.540 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccc4sc(C)nc4c3)n2)n1 70655922 KMOONCLWUGPKJG-UHFFFAOYSA-N 394.460 2.603 0 40 GFAB CN1CC[C@H](CNC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CC1=O 563027622 XPNIHZKYMCLQSS-ZDUSSCGKSA-N 388.443 2.724 0 40 GFAB COc1cccc([C@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)N(C)C)c1 47681730 XXLWZPKHPDCLJA-XETSTGILSA-N 395.503 2.632 0 40 GFAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)[C@@H]3CCOC3)CC2)n[nH]1 225562617 VMSAMRRMKCAGKG-CQSZACIVSA-N 386.427 2.544 0 40 GFAB NC1(CNC(=O)NCC2CCN(c3ccncc3)CC2)C2CC3CC(C2)CC1C3 575108783 HVGSCYSXNHGSPY-UHFFFAOYSA-N 397.567 2.751 0 40 GFAB Cc1cccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 223616197 TYYYWXUBKFHNFH-UHFFFAOYSA-N 380.897 2.773 0 40 GFAB CCCOCc1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1OCC 224709786 RDBINQFWVSSXRM-UHFFFAOYSA-N 378.469 2.926 0 40 GFAB CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 40086765 SAIUXRXMSUXCGF-UHFFFAOYSA-N 376.434 2.909 0 40 GFAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 96053150 OVXQUXIPPWRNQT-GOSISDBHSA-N 382.508 2.799 0 40 GFAB CO[C@H]1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 91934462 RAXVXDRFFYAWEX-NSHDSACASA-N 396.274 2.919 0 40 GFAB Cc1cnc(C(=O)N2CCc3nc(-c4ccc(F)cc4)nc(C)c3CC2)cn1 96083872 AZYCTMZYHFPBCI-UHFFFAOYSA-N 377.423 2.931 0 40 GFAB COc1cccc(OCC(=O)N[C@H]2CC[C@H](Oc3ncc(F)cn3)CC2)c1 245093465 ROROISWEAHIRHZ-SHTZXODSSA-N 375.400 2.510 0 40 GFAB CCN1CCC(C(=O)N2CCC3(CC2)CN(CC(C)C)C[C@H]3COC)CC1 248248709 RKHXKYPZNSIPTR-FQEVSTJZSA-N 379.589 2.561 0 40 GFAB Cc1ccccc1Cc1cccc([C@@H]2CN(C(=O)Cc3nonc3C)CCO2)n1 257323533 WKSHQRSRYSVELN-NRFANRHFSA-N 392.459 2.815 0 40 GFAB CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)COC)CC1 257274243 NKDOAYFLMWTPEN-UHFFFAOYSA-N 386.517 2.959 0 40 GFAB COc1cnccc1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 614348199 MBBTWPNNUJVRSW-ZBFHGGJFSA-N 392.253 2.642 0 40 GFAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCCN(Cc2cscn2)CC1 635484619 ZDKCHRDVRYYXSL-UHFFFAOYSA-N 386.399 2.611 0 40 GFAB O=C(N[C@@H]1CCC[C@H]1CCO)N1CCOc2cc(Br)ccc2C1 664718934 LOOBBWVFBKCEJC-SWLSCSKDSA-N 383.286 2.904 0 40 GFAB COc1ccc(CN(C)[C@H]2[C@H](N)C[C@@H](Oc3ccccc3Cl)[C@@H]2O)cc1 585262432 CMTIIMAROVARLH-LMCOJAPRSA-N 376.884 2.689 0 40 GFAB COc1ncccc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)nn1C 72347676 AICIOAFBOKGTRI-SZLXDWMPSA-N 398.507 2.776 0 40 GFAB Cc1ccccc1OCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615125293 YUMPXJLCAQBMJA-UHFFFAOYSA-N 394.471 2.798 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 11367909 SQLWVSZLWGPYKZ-XHDPSFHLSA-N 396.896 2.945 0 40 GFAB CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OC)cc1OC 13567459 JPNWWTGWSJHYAR-CYBMUJFWSA-N 389.477 2.774 0 40 GFAB COc1ccc(C)cc1[C@H](C)NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 15818551 GYUKBCXEAWYANH-HNNXBMFYSA-N 387.480 2.826 0 40 GFAB O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1c1ccc2c(c1)OCCO2 16022958 GKXKMMPAGGKHRY-INIZCTEOSA-N 378.428 2.790 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2c2nc(-c3ccccc3)no2)cn1 19525004 QCWDVEFLPTWDEL-ZMSDIMECSA-N 399.476 2.867 0 40 GFAB CCOc1cc(CCC(=O)N2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)on1 19532287 ZKCLDNIDTUNPHK-XJKSGUPXSA-N 381.436 2.645 0 40 GFAB CC[C@@H](Sc1nc2c(=O)[nH]cnc2n1C)C(=O)Nc1cccc(Cl)c1 19625799 OWTCPXDZVGMLHK-LLVKDONJSA-N 377.857 2.819 0 40 GFAB biogenic,in-vitro O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)NCCc2ccccn2)CC1 101374605 BIZRJVAKTBUNHJ-HDICACEKSA-N 390.487 2.957 0 40 GFAB CS(=O)(=O)NCC1CCN(c2ccc(-c3ccc(Cl)s3)nn2)CC1 651350471 UXQSMJMWNHKFEI-UHFFFAOYSA-N 386.930 2.624 0 40 GFAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)c1 6805202 BMEXZCYZKCQYCK-UHFFFAOYSA-N 394.475 2.860 0 40 GFAB COc1ccc(Cn2c(=O)c3sccc3n(C[C@H]3CCCOC3)c2=O)cc1 1888947695 CKCPNHIIUXSMBO-OAHLLOKOSA-N 386.473 2.708 0 40 GFAB CN(C)CCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCO3 4359343 BSBTYVXMGABACG-UHFFFAOYSA-N 399.472 2.999 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4497453 SSIPMFCRPYVUSV-CQSZACIVSA-N 379.391 2.720 0 40 GFAB COc1cc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)cc(OC)c1 7457300 OUDGHESBQHOJLI-UHFFFAOYSA-N 395.415 2.819 0 40 GFAB COc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1 9039160 AFSWGLDPARMHQV-CQSZACIVSA-N 399.447 2.887 0 40 GFAB CC(=O)N1CCN(C(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)CC1 12223608 XBQQYZVWAOHJNN-UHFFFAOYSA-N 397.504 2.910 0 40 GFAB CCO[C@@H](C)n1cc(I)c(I)n1 616567914 WFQWKYSTUREUQH-YFKPBYRVSA-N 391.978 2.647 0 40 GFAB O=S(=O)(NC1CCN(c2ncc(Br)cc2Cl)CC1)C1CC1 2086868892 XHCXGGPMPWTPDC-UHFFFAOYSA-N 394.722 2.548 0 40 GFAB O=S(=O)(NCc1nc(C2CCSCC2)no1)c1ccc(F)c(Cl)c1 575617673 QHYSDLAZAMHCIV-UHFFFAOYSA-N 391.877 2.951 0 40 GFAB Cc1cccc(C)c1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19809757 CEDFFLACKOBPCO-HXUWFJFHSA-N 398.503 2.590 0 40 GFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCCN(Cc2ccccc2)CC1 40017422 AGDZPUFOSWABIB-UHFFFAOYSA-N 375.476 2.924 0 40 GFAB Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)[C@@H]2CCCN2C1=O)c1ccccc1 40018196 WAIAOBRMJKJMLD-SESVDKBCSA-N 394.471 2.889 0 40 GFAB CCOc1cc2c(cc1CNC(=O)c1ccc(-n3cncn3)cc1)O[C@@H](C)C2 32741021 CETATOBQVCKWIH-AWEZNQCLSA-N 378.432 2.919 0 40 GFAB CCCn1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)nc2ccccc21 102434620 NYMNMEJWXFMDIK-GASCZTMLSA-N 382.464 2.950 0 40 GFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N[C@H](C)c1ccccc1 32876640 MINKDSCWSAILED-QRQCRPRQSA-N 377.444 2.863 0 40 GFAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCc4[nH]c5ccccc5c4C3)SC[C@@H]2N1 22601891 CBXOPGGSUUGLQL-BJLQDIEVSA-N 398.532 2.778 0 40 GFAB biogenic O=C(CSCC(=O)Nc1ccccc1F)NCCOc1ccccc1F 23038836 CHUNVEGTRSXPAV-UHFFFAOYSA-N 380.416 2.832 0 40 GFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC 959025 NJKKYJKNNCEIGW-CQSZACIVSA-N 393.241 2.901 0 40 GFAB Cc1cc(C(=O)CCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)s1 23654000 XEVIVRCHLGQSEM-UHFFFAOYSA-N 391.493 2.860 0 40 GFAB Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cs1 23806015 XFVKZSTUPIWJLV-UHFFFAOYSA-N 377.944 2.673 0 40 GFAB CC(C)C[C@@H](C(=O)Nc1ccc(N(C)C)nc1)N1C(=O)c2ccccc2C1=O 24097203 BNIUTEXJINTQRT-KRWDZBQOSA-N 380.448 2.797 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 24300074 QAYPYPNFPKTHLE-UHFFFAOYSA-N 379.460 2.538 0 40 GFAB COCc1nc([C@@H]2COCCN2C(=O)c2cc3ccc(C)cc3nc2C)no1 96001002 AQLOUWYEJZJGKU-KRWDZBQOSA-N 382.420 2.595 0 40 GFAB Cc1cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc2n1 25341160 NIDWFSBRPGXTJY-UHFFFAOYSA-N 389.455 2.946 0 40 GFAB Cn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc2sccc21 4923933 HBMYNVJUXAQLCB-KSSFIOAISA-N 399.472 2.828 0 40 GFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7429621 BJPGEIPCTWZDJX-KRWDZBQOSA-N 394.427 2.732 0 40 GFAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c(F)c1 57486552 KHFIUMLDWJHDSW-UHFFFAOYSA-N 395.369 2.808 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 8036595 WLVHEAGNCMKZKD-MRXNPFEDSA-N 396.443 2.847 0 40 GFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 8037499 BOUPJSROBDCIKR-MRXNPFEDSA-N 396.443 2.929 0 40 GFAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2OC)cc1 8416728 SHAZYYFYHAAWTR-UHFFFAOYSA-N 386.404 2.604 0 40 GFAB CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 56071290 NHYCAACBAZBQNF-UHFFFAOYSA-N 378.450 2.531 0 40 GFAB Cc1c(Cl)cccc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58162581 QQRNYZBRLMWELJ-UHFFFAOYSA-N 377.857 2.640 0 40 GFAB C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)N1CCOCC1 58180040 NAOCIRKWCKFZMG-CQSZACIVSA-N 375.856 2.973 0 40 GFAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)nc2Cl)n1 58358268 XOCNHJJEZAGKCI-SECBINFHSA-N 377.297 2.816 0 40 GFAB Cc1cc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)n(-c2nc3ccccc3s2)n1 25515216 FUEPAKXTNQBEOA-ZIAGYGMSSA-N 385.493 2.838 0 40 GFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 36360675 QACHHIWATYIRKV-UHFFFAOYSA-N 391.474 2.880 0 40 GFAB COC(=O)c1ccc(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 29272538 CQOOCUKRNJCEST-UHFFFAOYSA-N 379.416 2.696 0 40 GFAB COc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)s2)c(OC)c1 11666487 SQGOYWUARCCKAU-UHFFFAOYSA-N 375.855 2.831 0 40 GFAB CSc1nc2nc(C)c(CCC(=O)NCCc3ccccc3F)c(C)n2n1 12755573 JRDXUYSXKVDHCM-UHFFFAOYSA-N 387.484 2.894 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22536666 KRILSBHXSTYHLF-AWEZNQCLSA-N 394.468 2.769 0 40 GFAB COCCCNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 12822317 LYGAAIFGGHLCNX-UHFFFAOYSA-N 383.370 2.843 0 40 GFAB CCn1c(CSc2ccccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 10503547 LKAMOKBNFDJWQX-UHFFFAOYSA-N 376.507 2.994 0 40 GFAB Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccccc4)cc3)nn12 12854464 XFNBSQXRYLDUCH-UHFFFAOYSA-N 379.445 2.856 0 40 GFAB CCCCc1ccc(NC(=O)COC(=O)[C@]23CCC(=O)N2CCS3)cc1 12992351 WGWMUEOLUFJVNT-LJQANCHMSA-N 376.478 2.576 0 40 GFAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)o1 409147913 WNLCETUKVRKNDZ-RIYZIHGNSA-N 387.369 2.854 0 40 GFAB Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1[C@H]1CCS(=O)(=O)C1 6065562 VUMHWCJFEYATGP-INIZCTEOSA-N 375.446 2.504 0 40 GFAB COC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 5177968 JIOWDABCXAKUTG-WBVHZDCISA-N 397.818 2.556 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1C 5163589 MGCVWFGGNHVIBS-IRXDYDNUSA-N 391.489 2.880 0 40 GFAB COc1ccc(CC(=O)NCC(=O)Nc2ccccc2Br)cc1 5512480 YDFALGZEPJBQFG-UHFFFAOYSA-N 377.238 2.755 0 40 GFAB O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(c2ccc(F)cc2)CC1 6660447 IKXIIZVZIHRPQG-UHFFFAOYSA-N 382.391 2.660 0 40 GFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)s2)C1=O 409244131 YEIGONMFLJXSCQ-XYOKQWHBSA-N 391.836 2.942 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1cccc(O)c1 6753228 OYXZANINFGJNNO-FQEVSTJZSA-N 379.416 2.988 0 40 GFAB Nc1c(C(=O)NCc2cccs2)nnn1Cc1cccc(Br)c1 4852514 KDYCCQACMWASFD-UHFFFAOYSA-N 392.282 2.663 0 40 GFAB COCCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 4871029 WAYFPLOLSGWWKN-UHFFFAOYSA-N 394.427 2.830 0 40 GFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CNC(=O)c1ccccc1 5862855 IXKKVEPUDPIPQP-KBAYOESNSA-N 375.465 2.964 0 40 GFAB CCCn1nc(C(=O)NC[C@H](c2cccs2)N(C)C)c2ccccc2c1=O 15536748 FJJXBNJRLRJORX-MRXNPFEDSA-N 384.505 2.901 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1C 15879522 BLZHNDZJUITOCP-UHFFFAOYSA-N 396.399 2.689 0 40 GFAB COCCNC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 7994974 YFRUELBKXVFXIC-UHFFFAOYSA-N 377.853 2.541 0 40 GFAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)NCc1cccs1 7985951 DPTRYSIWJCMSMW-UHFFFAOYSA-N 397.485 2.991 0 40 GFAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1C 8000162 QCMGRHKOJIQPIS-UHFFFAOYSA-N 397.427 2.855 0 40 GFAB O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 16699556 FXGNRSACSGFOFZ-SFHVURJKSA-N 392.521 2.764 0 40 GFAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C(F)(F)F)c1 408553245 PJRLRGRCGZFOAS-UHFFFAOYSA-N 379.338 2.707 0 40 GFAB COc1ccc(NC(=O)CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 8313349 KPMQPUUJORVVAI-QGZVFWFLSA-N 399.472 2.595 0 40 GFAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 69419382 AGHSZHYGAFSQKJ-YLJYHZDGSA-N 391.471 2.875 0 40 GFAB O=C(CN1CC=C(c2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 8516396 GWLWVVMRAFSAGW-UHFFFAOYSA-N 393.443 2.895 0 40 GFAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)cc(Br)c1 84028428 AHKUZOFYNFKEEL-UHFFFAOYSA-N 378.175 2.989 0 40 GFAB C[C@@H]1Sc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2NC1=O 8713419 CXQDJYZAJDSXTE-VIFPVBQESA-N 391.836 2.963 0 40 GFAB CCOc1ccccc1NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 9171019 ZQADVEHUEJJGIX-UHFFFAOYSA-N 382.420 2.582 0 40 GFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 306131087 JWDBWYNCCMBXFT-UONOGXRCSA-N 381.411 2.567 0 40 GFAB O=C(NCCn1cccc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 524734870 SDPJVUJDHYANAN-UHFFFAOYSA-N 381.885 2.502 0 40 GFAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 219273517 JCEPOIARTHSFDC-UHFFFAOYSA-N 397.431 2.964 0 40 GFAB CCOC(=O)N1CCN(CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC1 34871971 JFFINQDCPLTBGN-QGZVFWFLSA-N 375.513 2.836 0 40 GFAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cc1ccccn1)c1ccccc1O2 72327749 FKJCBGVNKKOINO-GCJKJVERSA-N 379.460 2.645 0 40 GFAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 216385038 DYBNWBCHOJXUMC-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H]2Cc2c(C(N)=O)sc3ccccc23)cn1 72370342 DVRPRIRQYRKOSE-ZDUSSCGKSA-N 380.473 2.946 0 40 GFAB O=C(O)c1cccc(NC(=O)[C@@H]2CC(O)=Nc3nnc(-c4cccs4)n32)c1 72405609 UPJAIQOLMMZTJH-NSHDSACASA-N 383.389 2.876 0 40 GFAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccc(Cl)cc3)nc2c1 71327524 XGKCSOWPFIMLLI-UHFFFAOYSA-N 375.837 2.843 0 40 GFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1 44841839 JAIFMENWUAVNEG-UHFFFAOYSA-N 398.488 2.588 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 44848206 JSPZAKQWHALZTO-UHFFFAOYSA-N 384.461 2.618 0 40 GFAB Cc1c(C(=O)N2CCNC[C@H]2c2cccc(F)c2)nnn1Cc1ccc(F)cc1 571196934 ZQJKABFDGMILOZ-IBGZPJMESA-N 397.429 2.700 0 40 GFAB CC(C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 222739554 VTVGBZQUZAVGBQ-UHFFFAOYSA-N 388.902 2.768 0 40 GFAB COc1cccc(C(=O)N2CC[C@@H]3CN(CCC(C)C)S(=O)(=O)[C@@H]3CC2)c1 96145547 MCHRDHHEAZCSDX-IEBWSBKVSA-N 394.537 2.608 0 40 GFAB O=C1C[C@@]2(CCN(S(=O)(=O)Cc3ccccc3)C2)CN1c1cccc(F)c1 96238690 VCVYRVADOKOHSL-HXUWFJFHSA-N 388.464 2.785 0 40 GFAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCNC[C@H]2c2cccc(F)c2)c1C 581602591 GVKRNLISVKYBLE-IBGZPJMESA-N 390.480 2.633 0 40 GFAB Cc1nc([C@@]2(C)CCCN(C(=O)c3ccccc3F)C2)nc2c1CC(=O)N2C 257226715 FLVFGSNDERUWCV-NRFANRHFSA-N 382.439 2.637 0 40 GFAB Cc1c(S(=O)(=O)Nc2cc(C(F)(F)F)c(Br)cn2)cnn1C 585138461 SGESBWQEQRPUTI-UHFFFAOYSA-N 399.192 2.706 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257334360 YFOJYTAZCATUNE-ICSRJNTNSA-N 383.423 2.606 0 40 GFAB Cc1ncc(C(=O)N2[C@@H](c3ccccc3)C[C@@]3(C)[C@@H](O)[C@H](O)CCC[C@@H]23)cn1 257281810 ORCHFVHXUUGNLJ-MMXRJIGESA-N 381.476 2.653 0 40 GFAB CC[C@@H](C(=O)N1CCOCC2(CCC2)C1)n1nnc(-c2ccc(Cl)cc2)n1 544821122 LYFXJXUURSJTAK-INIZCTEOSA-N 389.887 2.974 0 40 GFAB C=CC(=O)Nc1ccc(C(=O)NCC(=O)N2CCCCc3ccccc32)cc1 1616358486 VOZHCYPSMIYGRP-UHFFFAOYSA-N 377.444 2.910 0 40 GFAB Cc1cc(-c2cccnc2)nn1CCNS(=O)(=O)Cc1cc(F)ccc1F 390826098 BMQAKKBJKNYLRR-UHFFFAOYSA-N 392.431 2.651 0 40 GFAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)Cn1ccc(=O)c2ccccc21 48373902 IVPPAQLZCCAPIH-OAHLLOKOSA-N 394.427 2.889 0 40 GFAB CCOc1ccc(CNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1F 77663038 AMNPFDQQXGUXOM-MRXNPFEDSA-N 379.476 2.525 0 40 GFAB COc1ccc(-c2c(C)nn3c(N4CCN(C(C)=O)CC4)cc(C)nc23)cc1 12113318 POUXVYKHPXNVFR-UHFFFAOYSA-N 379.464 2.690 0 40 GFAB Cc1cc(NC(=O)CSCC(=O)NCc2cccc(C(F)(F)F)c2)no1 13005948 GKBFAUSEZKYUGU-UHFFFAOYSA-N 387.383 2.990 0 40 GFAB Cc1ccc(NC(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1F 13701058 UWXMMNJJTJFFIU-UHFFFAOYSA-N 395.442 2.803 0 40 GFAB CC1CCC(NC(=O)C2CCN(c3c4c(nc5ncnn35)CCC4)CC2)CC1 15935365 KTWRXORSWNZGTB-UHFFFAOYSA-N 382.512 2.524 0 40 GFAB CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccccc2)cc1 19285415 RQVBMKRRBZVRTC-FQEVSTJZSA-N 390.443 2.751 0 40 GFAB Cc1cc(C)nc(NC2=NCN(Cc3cccnc3)CN2Cc2cccnc2)n1 19328625 PMNYKGYEDVNATE-UHFFFAOYSA-N 388.479 2.584 0 40 GFAB CC(C)c1ccc(C(=O)Nc2ccnn2Cc2ccc3c(c2)OCO3)c(=O)[nH]1 19453137 YUGRCWXZVVANPH-UHFFFAOYSA-N 380.404 2.724 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@H](C)c4ccccc4)C3)ncc2C1 19459071 DFJUPSHMJXUIJV-QAPCUYQASA-N 378.476 2.501 0 40 GFAB CCCC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19501411 UURIZTSXASSXMM-IBGZPJMESA-N 395.507 2.989 0 40 GFAB CCn1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 19524536 GZGASSFHLNUCCY-QGZVFWFLSA-N 384.528 2.665 0 40 GFAB COCCOc1cccc(CN2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)c1 19593780 WWVOHEWPHSGFPZ-MRXNPFEDSA-N 381.436 2.541 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1ccc2[nH]c(C(F)(F)F)nc2c1 19662314 MENGIXJSVNDCQP-UHFFFAOYSA-N 378.358 2.830 0 40 GFAB COc1cccc2cc(CN3CCC(c4nnc5n4CCNCC5)CC3)oc12 19709455 NHKQLMLBRODZKQ-UHFFFAOYSA-N 381.480 2.558 0 40 GFAB Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nnc3n1CCN(C)CC3)CCCC2 19710763 HRFMKBRSFKZAMW-INIZCTEOSA-N 383.496 2.524 0 40 GFAB O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(c2ccccc2F)CC1 19937286 NBJXAJCFMVGZSU-UHFFFAOYSA-N 378.407 2.538 0 40 GFAB CC(=O)Nc1nc(C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)cs1 12219596 SWVKZZAWYLFLQI-UHFFFAOYSA-N 398.448 2.566 0 40 GFAB COc1ccc(C2=NO[C@](C)(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)cc1 19655300 CFVXNLBIJAZSSY-FQEVSTJZSA-N 381.388 2.548 0 40 GFAB CCOc1ccc(CN(C)C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 23571972 BWPPDCOVBPPAMB-UHFFFAOYSA-N 387.480 2.689 0 40 GFAB CCn1nc(C)c(CN2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c1C 2037984343 YBHCXXJYSHWKPS-JOCHJYFZSA-N 382.508 2.775 0 40 GFAB CCc1cc(CC)c(S(=O)(=O)N2CCNC(=O)CC23CCC3)c(CC)c1 1561895152 RCEIZBJNFOQYNO-UHFFFAOYSA-N 378.538 2.807 0 40 GFAB COc1ccccc1N1C(=O)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 4393606 IPXSNTHTMPMHPT-QZTJIDSGSA-N 386.473 2.924 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)n1N 4538712 UEXFEHVGYNDPDX-UHFFFAOYSA-N 379.829 2.645 0 40 GFAB O=C(Cc1ccc(Cl)cc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251291 JYWCNSFAVBULCF-UHFFFAOYSA-N 379.807 2.548 0 40 GFAB Cc1csc(NC(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)n1 11693266 QWCUGJKWJCGINY-UHFFFAOYSA-N 398.423 2.515 0 40 GFAB COc1ccc(CCNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 22505653 CHAPIQUANREHEW-UHFFFAOYSA-N 389.477 2.599 0 40 GFAB CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908307 KEITYDJLOLCNTO-QGZVFWFLSA-N 385.533 2.878 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(N3CCCC3=O)c1)C(=O)C2 101324450 TXKQUXNFSBRRSU-VBKZILBWSA-N 390.505 2.951 0 40 GFAB Cc1cc(OC2CN(C(=O)c3cc4cc(F)ccc4s3)C2)n2ncnc2n1 618255924 KTUWXDCWCMDEML-UHFFFAOYSA-N 383.408 2.690 0 40 GFAB COc1ccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)c(OC)c1 4852458 PTZKTTHVWHRTPK-UHFFFAOYSA-N 387.827 2.832 0 40 GFAB O=C(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)c1ccc(N2CCOCC2)nc1 32403911 VLRIECKIHCTGNI-CABCVRRESA-N 387.402 2.538 0 40 GFAB C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@@H]1CCCO1 32778225 MULUXFAMTLMVLQ-KXBFYZLASA-N 377.444 2.742 0 40 GFAB CCCS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 32925047 UJQBEODYWJDENZ-UHFFFAOYSA-N 379.309 2.927 0 40 GFAB CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)n([C@@H]2CCS(=O)(=O)C2)n1 102787286 UPQYVYVTWHFSTB-BYNSBNAKSA-N 377.510 2.691 0 40 GFAB Cc1cccc(OCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 22323789 FGOKILDFFUTGHA-UHFFFAOYSA-N 398.488 2.830 0 40 GFAB CCCOc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1OCCC 54604625 ZDBFBSKRYIZURC-UHFFFAOYSA-N 389.496 2.894 0 40 GFAB CC(C)(C)OC(=O)NCCCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 42749611 HWLNZEWMRMTCPY-OAHLLOKOSA-N 391.516 2.973 0 40 GFAB Cc1ccccc1NCCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 24927274 KNSDZZQBJIDIOW-UHFFFAOYSA-N 375.494 2.994 0 40 GFAB CCOC(=O)N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3ccccc23)CC1 79464758 PRDXYGYVLDYTGO-UHFFFAOYSA-N 385.464 2.572 0 40 GFAB CCOc1cccc(N2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)n1 106706338 LYLONNSLJBEHAA-UHFFFAOYSA-N 378.432 2.697 0 40 GFAB CC(C)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 25136998 JSVZLTIXFHJPAY-UHFFFAOYSA-N 387.505 2.654 0 40 GFAB COC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(Cl)c(C)c1 3487566 UQASGOKTYZEVFS-UHFFFAOYSA-N 391.807 2.996 0 40 GFAB CCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 4787485 FFWZKOGFLBDPIX-OAQYLSRUSA-N 380.400 2.628 0 40 GFAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 6941405 VUDNFTBNVHXNDK-BXUZGUMPSA-N 375.450 2.537 0 40 GFAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1Cl 7264622 CXZGHEOFHVHDCZ-UHFFFAOYSA-N 391.251 2.727 0 40 GFAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(F)c(F)c1 7956707 XJXAJOQIJUTJEK-UHFFFAOYSA-N 395.431 2.800 0 40 GFAB COc1c(Br)cc(Br)cc1C(=O)N1CCN(C)CC1 59843529 NJDVSYFPBJWQLL-UHFFFAOYSA-N 392.091 2.608 0 40 GFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 101672835 CPXYBHKBWSXUDM-SZVBFZGTSA-N 394.512 2.672 0 40 GFAB Cc1c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cnn1-c1ccc(F)cc1 58190753 OUGQECMHBRYYDL-UHFFFAOYSA-N 379.395 2.763 0 40 GFAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2nncn2c1 58244670 OIBXVRMMVXUQMR-UHFFFAOYSA-N 379.401 2.876 0 40 GFAB CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCC3)cc2)CC1 2136360 FPWGATFLYFRXSO-UHFFFAOYSA-N 395.550 2.720 0 40 GFAB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1cccc(Br)c1 20151810 IZWIJNVESYMXLM-UHFFFAOYSA-N 395.234 2.980 0 40 GFAB O=C(CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1)NC1CCCC1 58371012 OZANGNYJBDSVOG-UHFFFAOYSA-N 375.488 2.603 0 40 GFAB Cn1cc(CCNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cn1 45182338 YCCPQFJWUYHRDK-UHFFFAOYSA-N 375.904 2.580 0 40 GFAB C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(-n2cncn2)cc1 10759058 ODYGGHDMSQWDJG-HNNXBMFYSA-N 378.432 2.849 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2scnc2C)cc1 58941572 UNNQMUOREHFCJS-LBPRGKRZSA-N 381.523 2.973 0 40 GFAB COc1cc(CC(=O)NCCCc2nc3ccccc3[nH]2)cc(OC)c1OC 11484732 ARTJSRSQOTZQNA-UHFFFAOYSA-N 383.448 2.880 0 40 GFAB Cc1sc2ncnc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2c1C 2659765 YRKPBSQCHJUVFG-UHFFFAOYSA-N 377.447 2.880 0 40 GFAB Cc1c(NS(=O)(=O)c2ccc(F)c(F)c2)c(=O)n(-c2ccccc2)n1C 3247781 AJBCBFACDFMSFP-UHFFFAOYSA-N 379.388 2.563 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3)o2)C1 3287797 NSLJJUDOGOZOLF-AWEZNQCLSA-N 375.450 2.630 0 40 GFAB CN(CCOc1ccc(Cl)cc1)CCC(=O)Nc1ccc(C(N)=O)cc1 28895586 DZQSJOYLBJYXNR-UHFFFAOYSA-N 375.856 2.778 0 40 GFAB O=C(CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 12748952 NEYKMUHXUGJTRT-XCVCLJGOSA-N 385.414 2.761 0 40 GFAB Cn1cc(C(=O)NC2CCN(C(=O)CCCSc3ccccc3)CC2)cn1 48301824 MAUNDGQURCJTMQ-UHFFFAOYSA-N 386.521 2.713 0 40 GFAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2nccnc2N)cs1 12816800 ZKWMVAOEIWHXSW-UHFFFAOYSA-N 399.432 2.566 0 40 GFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1OC 3565478 RWVSPPCRTOHFDN-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NC1CCCCCCC1 39266268 GCHXEJAKRFNKTN-IBGZPJMESA-N 383.492 2.867 0 40 GFAB biogenic Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 13856509 PJYDXDQKNPUFQZ-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB O=C1N[C@H](c2ccccc2F)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4387410 JKHHWXQVBXGWHG-CKEIUWERSA-N 382.313 2.930 0 40 GFAB COc1cccc(CNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)c1 13942152 SNMAUDUSAJKQKO-UHFFFAOYSA-N 396.365 2.986 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccc(OC(F)F)cc1 9690319 CYUGFCIPKKBCRY-UHFFFAOYSA-N 387.386 2.816 0 40 GFAB CCCN1CCC(NC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 65521619 KBMYSUHOWCDULS-UHFFFAOYSA-N 397.313 2.753 0 40 GFAB CCn1nc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c2ccccc2c1=O 6432531 ZKFHDWXGOZPOGN-KRWDZBQOSA-N 380.448 2.576 0 40 GFAB O=C(O)[C@@H]1CS[C@@H](c2cc(Br)c(O)c(Br)c2)N1 4547561 YSXSRLZSKXDLNH-CBAPKCEASA-N 383.061 2.705 0 40 GFAB CCCNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 6534991 GXQOMBJBWXJKEG-UHFFFAOYSA-N 384.461 2.669 0 40 GFAB CC(=O)N(C)[C@@H](c1ccccc1)c1nnnn1-c1ccc(Br)cc1 4670433 ZJRWHGXGRYZCIW-INIZCTEOSA-N 386.253 2.993 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5638115 UJGYUBVSVIBDII-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 6862426 LBXKDDXIJJAXGY-UHFFFAOYSA-N 382.482 2.604 0 40 GFAB Cc1ccc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 306131298 KAPKLKYGNPXTRN-INIZCTEOSA-N 383.521 2.925 0 40 GFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2ccccc2O)CC1 15518712 HGQNUZDHPNMJOY-SFHVURJKSA-N 383.473 2.544 0 40 GFAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCCN1C(=O)c1ccco1 72007382 HLVRYXCBXRUDIL-SFHVURJKSA-N 395.459 2.718 0 40 GFAB CC[C@@H](C)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7671134 LVSODLDVTJSGLS-CQSZACIVSA-N 376.482 2.891 0 40 GFAB COC(=O)c1cc(CNC(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC 7719191 XQSVOFSSCUJKDR-UHFFFAOYSA-N 382.416 2.539 0 40 GFAB Cc1nn(CC(C)C)c2sc(C(=O)OCC(=O)NC(=O)NCC(C)C)cc12 7782088 OYALQJAIXMTFDQ-UHFFFAOYSA-N 394.497 2.701 0 40 GFAB COc1ccc([C@H]2CCCN2Cc2nn3c(=O)cc(C)nc3s2)c(OC)c1 7742558 BOTHICYOMDPEEJ-OAHLLOKOSA-N 386.477 2.814 0 40 GFAB O=C(Cn1c(=O)cnc2ccccc21)NCC1(N2CCCCC2)CCCCC1 8324877 QXZHXTHCLSORTM-UHFFFAOYSA-N 382.508 2.702 0 40 GFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 8421686 MNOGLNDGQVTNSH-INIZCTEOSA-N 387.505 2.742 0 40 GFAB Cc1cccc(-c2c3c(nc4nc(N5CCOCC5)nc(N)c24)CCCC3=O)c1 20673547 GSGVNIYDNJRBAU-UHFFFAOYSA-N 389.459 2.938 0 40 GFAB C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 95947233 CAJNCSZUPJDDNA-CQSZACIVSA-N 382.416 2.798 0 40 GFAB C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 89904304 SUKKKSCEENMPEM-NVXWUHKLSA-N 390.443 2.837 0 40 GFAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C(=O)N1c1ccc(F)cc1 20671003 ARCXMFUMAXXJNR-SNVBAGLBSA-N 377.322 2.900 0 40 GFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 408702127 CTPCOSJDIUXBJR-GOSISDBHSA-N 392.477 2.887 0 40 GFAB O=C1C[C@@H](c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)N2NC=NC2=N1 409370476 RNXXARXBYNHYIU-HNNXBMFYSA-N 397.822 2.533 0 40 GFAB Cc1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1C 408923006 DLJYNEYMLMRQLE-UHFFFAOYSA-N 392.546 2.978 0 40 GFAB OCc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)o1 35425749 POCRJPOWAXXKPK-KRWDZBQOSA-N 392.419 2.740 0 40 GFAB biogenic,in-vitro COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(-n3cnnn3)cc2)c1 515767766 YRRGEQGZUDOMBF-GOSISDBHSA-N 378.436 2.910 0 40 GFAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)Nc2cc(F)ccc2F)n1 72339960 BIIVTQYHSOPZPU-LBPRGKRZSA-N 387.390 2.739 0 40 GFAB Cc1cccc(C)c1OCCSc1nnc([C@H]2CCS(=O)(=O)C2)n1C 32777840 FFZBQYXZWATWID-AWEZNQCLSA-N 381.523 2.505 0 40 GFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccc(C)cc1 216383258 LCQBUJYXSUCVFM-UHFFFAOYSA-N 376.478 2.872 0 40 GFAB Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 539924560 HJEYKTRHQWOFLW-UHFFFAOYSA-N 386.843 2.678 0 40 GFAB Cc1cc(S(=O)(=O)N2CCN(C)CC2)c(C(C)C)cc1Br 32602031 PUYWKAXWDGWLET-UHFFFAOYSA-N 375.332 2.817 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 32104722 QOFTYNAWUOHWJG-UHFFFAOYSA-N 386.843 2.641 0 40 GFAB O=C(NCCc1nc(-c2ccccc2)cs1)c1cc(-n2cnnn2)ccc1F 79483466 APSPRGPBSQKEMB-UHFFFAOYSA-N 394.435 2.897 0 40 GFAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c(F)c1 564811059 JOHKIHZBDFYLSJ-UHFFFAOYSA-N 389.408 2.907 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218057330 RYHGUKGEQGOVDM-ZIFCJYIRSA-N 393.892 2.788 0 40 GFAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2cccc(C(F)(F)F)c2)n1 224180776 FXPPXKKLULWDGM-UHFFFAOYSA-N 395.385 2.962 0 40 GFAB CCOC(=O)CN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl 42277399 HEMORXVPVZIPNJ-UHFFFAOYSA-N 396.690 2.819 0 40 GFAB Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225681206 XVTSHYZQHXUEKD-ZDUSSCGKSA-N 392.502 2.654 0 40 GFAB Cn1nc(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)ccc1=O 90592554 CJVUPWVJCDTJSQ-UHFFFAOYSA-N 395.290 2.620 0 40 GFAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2c(C)noc2C)C3)cs1 248045943 QKLMSZHZAZXDQZ-AWEZNQCLSA-N 379.507 2.973 0 40 GFAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 247972167 HSGRKVMRIIHTOE-VGSWGCGISA-N 385.508 2.757 0 40 GFAB Nc1cccc(S(=O)(=O)Nc2nc(Cl)nc(Nc3ccccc3)n2)c1 255189984 UFXFMCRDLCIHPC-UHFFFAOYSA-N 376.829 2.652 0 40 GFAB CN1C[C@@H](CNC(=O)c2cn(Cc3cccc(F)c3)nn2)[C@H](c2ccccc2)C1 649102647 FZUFVACGSWLROA-QUCCMNQESA-N 393.466 2.541 0 40 GFAB COc1cccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)O)cs2)c1 36585365 PWAUOPODHVXJHW-CQSZACIVSA-N 380.491 2.684 0 40 GFAB biogenic Cc1nc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc(-n2cccc2)n1 90607830 ZHUMUQRIZYSKJZ-KRWDZBQOSA-N 391.475 2.692 0 40 GFAB CSCC[C@H](NC(=O)c1ccc2nnc(O)n2c1)c1nc2ccccc2[nH]1 611195963 ZWYASHXPKBXRKA-AWEZNQCLSA-N 382.449 2.535 0 40 GFAB O=C(Cc1ccc(F)cc1)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096635 QCEFBPRGQSZEGL-UHFFFAOYSA-N 386.452 2.606 0 40 GFAB O=C(c1cccc2c1OCCO2)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390831354 RJVIAPNHXMFOJX-MRXNPFEDSA-N 393.486 2.521 0 40 GFAB O=C(COc1ccc(Cl)cc1Cl)NC[C@H](O)c1ccc2c(c1)OCCO2 170201271 FGBJZAPYSFRKAR-AWEZNQCLSA-N 398.242 2.993 0 40 GFAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCSC[C@@H]1CN1CCOCC1 90609065 LGDFFPZEPCPTJZ-INIZCTEOSA-N 388.455 2.985 0 40 GFAB CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2C(=O)O)C1 634881934 ZCYVNKORWWGXNG-LLVKDONJSA-N 382.407 2.678 0 40 GFAB O=C(Nc1ccccc1Cl)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188813 VJGFSDMIONDXLT-LLVKDONJSA-N 379.869 2.637 0 40 GFAB O=c1cc2c(nn1CC1CCN(c3nccc(C(F)(F)F)n3)CC1)CCCC2 585500530 KVBIACDVZGNNEN-UHFFFAOYSA-N 393.413 2.848 0 40 GFAB CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 5392591 MXZUNLCLRIGVDW-UHFFFAOYSA-N 388.489 2.621 0 40 GFAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@H]3C[C@H]3C)n2)c1 5693707 VFGVXIMAJIKNMG-PWSUYJOCSA-N 376.434 2.965 0 40 GFAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)N(Cc1ccccc1)C(=O)C3 17078269 JAIJTAQYZKKLSR-UHFFFAOYSA-N 383.411 2.825 0 40 GFAB Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cs1 19285551 AYGBRGPATSGDCE-HTZLVSCSSA-N 396.516 2.928 0 40 GFAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)c2cccc(F)c2)CC1 19289063 AEVPUMITQNJULA-UHFFFAOYSA-N 379.439 2.579 0 40 GFAB COc1cc(C)c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1OC 19567121 AHYOGYMUQMHPNI-FDFHNCONSA-N 396.531 2.874 0 40 GFAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cnc4c(C)cccn4c3=O)n2)c1 19663149 KGKRYSLTEQWEGY-CQSZACIVSA-N 389.415 2.852 0 40 GFAB O=C1CC[C@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)NC(=O)N1 19716715 LBSKMPTZUUWJLH-CQSZACIVSA-N 380.429 2.890 0 40 GFAB COc1ccc([C@H](C)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1OC 19719352 YSFYJYUKJVNOHL-HNNXBMFYSA-N 395.463 2.803 0 40 GFAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cccn(CC(=O)N(C)C)c2=O)c1 19750089 FUEDRHQOZSXHBU-IBGZPJMESA-N 381.476 2.531 0 40 GFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc3c(c2)OCO3)C1=O 8088257 DTTSSQBKBKKAAD-CXUHLZMHSA-N 393.399 2.509 0 40 GFAB Cc1cc(C(F)(F)F)nc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)n1 1888896933 CDQZWAGXQXJNQZ-UHFFFAOYSA-N 391.401 2.790 0 40 GFAB Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)cc1I 30721734 NUHNQJZZGHTDSZ-JQWIXIFHSA-N 386.233 2.700 0 40 GFAB COc1ccc(CCNC(=O)NCc2nc(-c3cc(C4CC4)on3)no2)cc1 238838658 HIENOMBNBGRAFM-UHFFFAOYSA-N 383.408 2.653 0 40 GFAB COC(=O)[C@H]1C[C@@H](N2CCCC2)CCN1C(=O)c1cc(OC)ccc1Cl 1565550884 JHKHXBNBEHCSSP-SUMWQHHRSA-N 380.872 2.591 0 40 GFAB CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 2711052 JHRRJZZBZJAQFM-KBPBESRZSA-N 384.885 2.946 0 40 GFAB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C)c(Cl)c3)c2=O)cc1 2973120 QRWPDRUCKMMHIR-UHFFFAOYSA-N 385.807 2.749 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)cc1Cl 4250469 IBDWGOSXYVYUFJ-UHFFFAOYSA-N 377.857 2.727 0 40 GFAB CCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 5221569 UPZDTFZDIBQTON-HNNXBMFYSA-N 384.432 2.638 0 40 GFAB COc1cc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)cc(OC)c1 7456088 DXFFJMFJFSGCQN-UHFFFAOYSA-N 381.388 2.511 0 40 GFAB COc1ccc(CC(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc1 11696753 ZBIFEGYDPMBUJL-UHFFFAOYSA-N 392.463 2.703 0 40 GFAB C[C@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 23182024 YKXKBSHDWBQMRC-KSSFIOAISA-N 397.541 2.688 0 40 GFAB O=C(/C=C/c1ccccc1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607893 NUVQUUOBGNSLGK-MDZDMXLPSA-N 386.459 2.977 0 40 GFAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)CN1C(=O)c3ccccc3C1=O)n2C 100819189 UOJPNIOWEDAJJF-QZQOTICOSA-N 379.441 2.580 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)ccc21 40039832 WGIMCXKMXSXPRS-NEPJUHHUSA-N 383.370 2.561 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1 40158730 AFPXSWZZHUBROL-LJQANCHMSA-N 398.434 2.982 0 40 GFAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc2c(c1)OCCO2 32090239 WWALLBXOJKPVNU-HNNXBMFYSA-N 381.388 2.577 0 40 GFAB Cc1cccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)c1 21023547 ZZZNZBIGMOPHNQ-UHFFFAOYSA-N 377.379 2.644 0 40 GFAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1 32674518 PAIQITUSQIYBHL-AWEZNQCLSA-N 389.473 2.690 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cnc2sccn2c1=O 32820761 MEQKVYQCZCFOTD-UHFFFAOYSA-N 393.472 2.831 0 40 GFAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)o1 21601766 NLHPXICPFBUANL-JTQLQIEISA-N 376.434 2.730 0 40 GFAB CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102957277 BPCFUVRYEQITMW-QZTJIDSGSA-N 398.459 2.923 0 40 GFAB O=c1c2ccccc2cnn1CN1CCN(Cc2c(F)cccc2Cl)CC1 22912172 LWIKFSRSRYEUJG-UHFFFAOYSA-N 386.858 2.964 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(NC(=O)c2ccco2)cc1 23438972 UAKALONBQFJZFV-UHFFFAOYSA-N 375.406 2.615 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CCCn1cnc3ccccc3c1=O)OCO2 24694449 NJSJHTBMNBCRLH-UHFFFAOYSA-N 393.399 2.747 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 12540234 PMQYADDRUOJBLF-OAHLLOKOSA-N 395.850 2.590 0 40 GFAB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1 905556 FNESPSHCEZLAEJ-UHFFFAOYSA-N 397.456 2.841 0 40 GFAB Cc1nc2ccccc2n1C[C@H](O)Cn1c2c(c3ccccc31)CCN(C)C2=O 958910 VLFGONXZMVTYDB-INIZCTEOSA-N 388.471 2.989 0 40 GFAB biogenic CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1 4046882 BPTYIBFPGCGEDI-PXNSSMCTSA-N 380.400 2.884 0 40 GFAB biogenic COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1 4890355 HKSSRZUWHIEPKD-MRXNPFEDSA-N 388.493 2.807 0 40 GFAB O=C(COc1ccccc1[C@H]1CC(=O)Nc2ncnn21)Nc1cccc(Cl)c1 6227232 BQFHOXMIZUPQOB-OAHLLOKOSA-N 397.822 2.881 0 40 GFAB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3snnc3c2)C1 6386814 MYBWDXHXJOLGMK-LBPRGKRZSA-N 377.539 2.969 0 40 GFAB Cc1cc2nc(C)c(CCC(=O)OCC(=O)c3ccc4c(c3)OCO4)c(C)n2n1 7672679 FBRLMXMDQWEXCK-UHFFFAOYSA-N 395.415 2.742 0 40 GFAB C[C@@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CCO1 12558016 MWVPIPSMJYALDN-OAHLLOKOSA-N 395.488 2.669 0 40 GFAB CC(C)C[C@@H](CNC(=O)Nc1ccccc1Cn1cccn1)N1CCOCC1 44269241 CZEWMAARILKCOR-IBGZPJMESA-N 385.512 2.800 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 102004953 ZTYSDMJKELDHFB-LJQANCHMSA-N 380.444 2.747 0 40 GFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-n2cnnn2)ccc1Cl 72403999 CMFGZDIWCDBNOY-UHFFFAOYSA-N 396.882 2.710 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2F)cc1 22227390 WDVASWSARZOHST-UHFFFAOYSA-N 396.459 2.968 0 40 GFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1985861 WKEQDEOAZVRVPK-SFHVURJKSA-N 380.444 2.834 0 40 GFAB Cc1ccc2c(c1)CCCN2Cc1cccc(S(=O)(=O)N2CCOCC2)c1 12526987 QYKRSSQUCOBERK-UHFFFAOYSA-N 386.517 2.969 0 40 GFAB CC(C)Cc1nnc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)s1 44917296 HLLKNMNSNOINKF-CYBMUJFWSA-N 387.465 2.856 0 40 GFAB O=C1C[C@H](n2nc(-c3ccncc3)n(-c3ccccc3)c2=S)[C@H]2CO[C@H]1O2 107124431 TUNWGBYRKYKSIH-LESCRADOSA-N 380.429 2.721 0 40 GFAB O=C(Nc1ncccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 23080159 WZKOUXTVKUZVKK-UHFFFAOYSA-N 395.868 2.868 0 40 GFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)Cc1ccc2c(c1)OCO2 100141245 VQSBZVNBMAJELG-HOCLYGCPSA-N 376.416 2.597 0 40 GFAB CCOC(=O)N1CCN(C(=O)CSc2nccn2-c2cccc(C)c2)CC1 10887532 SCLCBBCMFHMKNE-UHFFFAOYSA-N 388.493 2.574 0 40 GFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(-c2ccc(F)cc2)no1 28727513 LZIIQACBNJCBMI-LBPRGKRZSA-N 390.440 2.716 0 40 GFAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]32)c1 101352903 YFCBCBBFPDTAFR-OALUTQOASA-N 391.431 2.544 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1=O 12770633 XDRWXBXVUHXPEE-INIZCTEOSA-N 393.443 2.596 0 40 GFAB Cc1ccccc1N(CCCC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 113966806 HLEPJEQSMWGACC-UHFFFAOYSA-N 378.469 2.997 0 40 GFAB Cc1noc(NC(=O)CSc2nnc(N3CCCCC3)n2-c2ccccc2)n1 48367222 FLUWUFTUKYVCQF-UHFFFAOYSA-N 399.480 2.680 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl 3409264 YJJMHVIQNNLFII-RYUDHWBXSA-N 387.885 2.690 0 40 GFAB O=C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc2c1OCCO2 65642594 LJYDHELKPNBPMU-UHFFFAOYSA-N 388.228 2.883 0 40 GFAB COC(=O)CSC1=NC(C)=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)N1 408991240 PXABOBJWDYZMAE-ZDUSSCGKSA-N 388.276 2.659 0 40 GFAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 4555459 XJGAVKNMZSFJPU-GOEBONIOSA-N 397.427 2.871 0 40 GFAB O=C(Cc1cccc(F)c1)NCc1ccccc1S(=O)(=O)N1CCCCC1 14227364 REOXHOGLKMRPHL-UHFFFAOYSA-N 390.480 2.859 0 40 GFAB O=C(c1cnc2ccccn12)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306123258 AIRFQZFOASXVJV-QGZVFWFLSA-N 392.459 2.567 0 40 GFAB COC(=O)c1ccc(C)c(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 7064424 YSWFQLBUXWXGNK-UHFFFAOYSA-N 382.416 2.926 0 40 GFAB O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1C(=O)NC1CC1 7678011 KHKINWPOVIJBPZ-UHFFFAOYSA-N 393.472 2.890 0 40 GFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1 16087545 OOKPUAJUXMHACN-UHFFFAOYSA-N 388.367 2.844 0 40 GFAB CCCCCC[S@@](=O)[C@@H]1CS(=O)(=O)C[C@@H]1[S@@](=O)CCCCCC 16034403 XLALDRNIXLZYLY-WGKKAQPQSA-N 384.629 2.810 0 40 GFAB CNS(=O)(=O)Cc1ccc(CNC(=O)N(C)Cc2ccc(Cl)cc2)cc1 9690483 SSGMLENIDWMFDE-UHFFFAOYSA-N 395.912 2.731 0 40 GFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCCn1ccc2ccccc21 8194671 MOCXIRPDPJDCBQ-UHFFFAOYSA-N 376.464 2.835 0 40 GFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C1 32518816 JGVJIFNTRCQWRX-VBROQKIQSA-N 379.840 2.926 0 40 GFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(F)ccc1Br 8745138 MWUCBBQKPKZLLH-UHFFFAOYSA-N 394.244 2.750 0 40 GFAB COc1cc(C(=O)OCC(=O)Nc2cccc3nsnc23)cc(OC)c1C 19077201 SMCLODYUUDEBES-UHFFFAOYSA-N 387.417 2.812 0 40 GFAB CSc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1 9145282 OBIPFLGXRPRIAC-UHFFFAOYSA-N 392.535 2.710 0 40 GFAB Cc1nc2ccc(C(=O)N3CCC[C@H]3CN3C[C@H](C)O[C@H](C)C3)cc2nc1C 72274588 PZAQTQHTCZQYLY-KHYOSLBOSA-N 382.508 2.960 0 40 GFAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccccc2Cl)cc1 28209495 JYMKFEQMGLCCAC-INIZCTEOSA-N 392.864 2.967 0 40 GFAB O=C(NC(=S)NNc1ccccc1)c1ccccc1I 408628386 SERYOBCRFJWLSR-UHFFFAOYSA-N 397.241 2.923 0 40 GFAB Cc1cc(CN2CCN(CC(=O)Nc3ccccc3Br)CC2)no1 22799137 RDTAVZHGNNSPCW-UHFFFAOYSA-N 393.285 2.502 0 40 GFAB CCOc1cc2c(cc1CNC(=O)CNC(=O)c1cccc(F)c1)O[C@@H](C)C2 24646393 SNYUTONPOVNLNR-ZDUSSCGKSA-N 386.423 2.594 0 40 GFAB COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cn1c(C)nc2ccccc2c1=O 512330211 JLWYNRQNBXLZSK-SFHVURJKSA-N 381.407 2.656 0 40 GFAB CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1cccc(O)n1 559578931 VLWSYMUAXJCKRQ-UHFFFAOYSA-N 380.404 2.957 0 40 GFAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(Cl)cc2F)cc2c(O)nnc1-2 524734477 JNMJUQFVAWPQAT-CYBMUJFWSA-N 393.758 2.732 0 40 GFAB Cc1[nH]nc(O)c1C(c1cc(Br)c(O)cc1O)c1c(O)n[nH]c1C 409050142 ZJJMXHNROINPJT-UHFFFAOYSA-N 395.213 2.515 0 40 GFAB Cc1nc(CC2CCN(C(=O)c3nccn3C)CC2)cc(NC2CCCC2)n1 72356216 PGGFINHWEFINMM-UHFFFAOYSA-N 382.512 2.968 0 40 GFAB Cc1nc(C)n(CC(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)n1 72397213 PZCZUWJWDWVKBQ-UHFFFAOYSA-N 380.452 2.828 0 40 GFAB COc1ccc(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)cc1O 72347333 LZPBZYCMUQKGQQ-AWEZNQCLSA-N 384.480 2.691 0 40 GFAB Cc1nn2c(ncc3c(=O)n(-n4c(C)nnc4C)ccc32)c1-c1ccc(F)cc1 40396956 ZVWGSEUUOOEHHC-UHFFFAOYSA-N 389.394 2.678 0 40 GFAB COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1N1CCCC1=O 223887435 FHUKGDJVUTZYIA-UHFFFAOYSA-N 394.880 2.954 0 40 GFAB COc1ccccc1-c1c2c(=O)n(Cc3ccncc3)ccc2nc2nc(C)nn12 40398458 ZEDKJUWJXUOQPU-UHFFFAOYSA-N 398.426 2.867 0 40 GFAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NCCc2ccccc2)cc1 49003417 BVELQARDSQFDMU-UHFFFAOYSA-N 398.488 2.800 0 40 GFAB O=S(=O)(c1cccc2cccnc12)N1CCN(c2nc3ccccc3[nH]2)CC1 44443734 RNHRUVXJOOEQGP-UHFFFAOYSA-N 393.472 2.622 0 40 GFAB CC(C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 224699527 LOODLKHTRIJEBF-UHFFFAOYSA-N 388.902 2.768 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C)n3)CC2)cc1C 96119566 ZULBQXGRAHAHTO-UHFFFAOYSA-N 376.478 2.939 0 40 GFAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1cn(C[C@@H]2CCOC2)nn1 528358207 DIWDYFSODNFBMP-ZDUSSCGKSA-N 397.460 2.881 0 40 GFAB CCOc1ccccc1-n1nc(C(=O)O)c(N2CCN(c3ccccc3)CC2)n1 256047506 MVKKNLARKBCPDY-UHFFFAOYSA-N 393.447 2.691 0 40 GFAB O=c1/c(=C/Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccncc3)nn12 256055525 JQXAHFKWVKGYCI-LCYFTJDESA-N 389.362 2.801 0 40 GFAB Cc1ccnc(NC[C@@H]2CCN([C@H](C)C(=O)NC(=O)Nc3ccccc3F)C2)c1 609144770 GPICXIDXRDZVEG-CVEARBPZSA-N 399.470 3.000 0 40 GFAB C[C@H]1CN(c2ccncc2)CCN1C(=O)NCCc1ccnn1-c1ccccc1 1684201952 SSPXZBLKDZCDBZ-SFHVURJKSA-N 390.491 2.730 0 40 GFAB CC(=O)N1Cc2ccc(S(=O)(=O)N3CCC[C@@H]3Cc3ccccc3)cc2C1 659886958 GJLGLUCRIYPZEC-HXUWFJFHSA-N 384.501 2.945 0 40 GFAB Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccccc1Br 90583454 SSDUQIXEFJRBIA-NSHDSACASA-N 376.297 2.831 0 40 GFAB CCn1cc(-c2noc(CNC(=O)c3cccc(Br)c3)n2)cn1 390831231 QPBLWOHJHNRFHM-UHFFFAOYSA-N 376.214 2.646 0 40 GFAB Cc1cc(C)c(S(=O)(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1C(=O)O 571741910 DNDQIBZMWCAFNO-MRXNPFEDSA-N 388.445 2.754 0 40 GFAB O=C1CCCN1Cc1ccc(CNS(=O)(=O)c2c(F)cccc2F)cc1 84339144 LNPKODWMGMSTDT-UHFFFAOYSA-N 380.416 2.566 0 40 GFAB C[C@@H]1O[C@H](NC(=O)c2ccccc2F)[C@H](NC(=O)c2ccccc2F)O[C@H]1C 5534472 FKTZWRKOVOUXRB-HKKFXGGESA-N 390.386 2.601 0 40 GFAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)c1 11458363 PTRAVNDCFRHDQE-ZDUSSCGKSA-N 378.384 2.915 0 40 GFAB Cc1cccc2sc(NC(=O)c3c(C(=O)O)cccc3S(=O)(=O)O)nc12 11613908 UUUWTWINCFWDRE-UHFFFAOYSA-N 392.414 2.802 0 40 GFAB CCOC(=O)[C@H]1[C@H](c2cccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 11859263 BDOPAXJBLZPCLB-KEYYUXOJSA-N 398.406 2.789 0 40 GFAB C[C@@H]1CCN(C(=O)COC(=O)CN2CCCCCC2=O)c2ccccc2S1 11875496 MSLXVKZXUUKLMI-OAHLLOKOSA-N 390.505 2.850 0 40 GFAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCc1ccccn1 12324878 QSXCDBRURAKKGS-UHFFFAOYSA-N 391.456 2.528 0 40 GFAB COc1cc(C(=O)O)c(NS(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 13032651 XNWANAFDFMBZIX-UHFFFAOYSA-N 381.406 2.520 0 40 GFAB CCCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584639 GHKZOSCZPOTGPZ-UHFFFAOYSA-N 376.478 2.807 0 40 GFAB CCCCc1nn2c(=O)cc(COC(=O)COc3ccccc3F)nc2s1 15734081 KLVUBWFLHWOXSY-UHFFFAOYSA-N 391.424 2.755 0 40 GFAB Cc1cccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3F)CC2)c1 15935845 YSIKLXFTLFTMLF-UHFFFAOYSA-N 383.467 2.645 0 40 GFAB Cc1cc2nc(C[C@@H](NC(=O)[C@@H]3CCCCO3)c3ccc(F)cc3)cc(O)n2n1 19129841 GGLLRHJSSADCSL-MSOLQXFVSA-N 398.438 2.852 0 40 GFAB Cc1c(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2c2nc(-c3ccccc3)no2)cnn1C 19553821 RPFYYMTYKPTRMQ-ZMSDIMECSA-N 399.476 2.693 0 40 GFAB COCCOc1ccc(CN2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 19593686 GHCCHZQMFCYIJW-INIZCTEOSA-N 381.436 2.541 0 40 GFAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCn2cnnn2)n1 19692021 KJOCMNSLNDFBRB-FQEVSTJZSA-N 394.454 2.860 0 40 GFAB CN(c1cccnn1)C1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 106085470 QNPAQLVTRWMBRE-UHFFFAOYSA-N 377.851 2.808 0 40 GFAB CC(C)(C)Nc1c([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nc2ccccn12 12088142 XZXMYYRCYDJCJM-HUUCEWRRSA-N 383.496 2.529 0 40 GFAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cnn(-c3ccccc3)c1)C2 12120775 UUSMFYLKQHATMC-UHFFFAOYSA-N 384.443 2.576 0 40 GFAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3ccc4c(c3)CCO4)cc2)cn1 1889273833 FPBCJMAFYIHBPS-UHFFFAOYSA-N 383.473 2.543 0 40 GFAB COCCc1ccc(OS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 15327692 QOZTWWHSKFMARX-UHFFFAOYSA-N 375.446 2.552 0 40 GFAB Cc1ccc2c(COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc(=O)oc2c1 24308758 KNNGRAMGTCVSPG-UHFFFAOYSA-N 377.352 2.684 0 40 GFAB COc1ccc(C(=O)N(c2ccc(C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1OC 4165327 RHJLLTUJDMHOOT-KRWDZBQOSA-N 387.457 2.970 0 40 GFAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)N1CCCCCC1 4940093 REVQAGALMHUPKM-UHFFFAOYSA-N 387.505 2.868 0 40 GFAB CCOC(=O)c1c(SCC(=O)Nc2cccc(Cl)c2C)nc(=O)[nH]c1C 5251696 SWCJWDOPJNQNDE-UHFFFAOYSA-N 395.868 2.948 0 40 GFAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3cccs3)o2)cc1 10219518 GTNDDDZSBQMGEZ-UHFFFAOYSA-N 393.446 2.609 0 40 GFAB CCCN1CCN(CCCNC(=S)Nc2ccc(C(=O)OCC)cc2)CC1 19370096 SXAIXVSSVLTAOT-UHFFFAOYSA-N 392.569 2.567 0 40 GFAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(CC)CC3)c(O)n2n1 22578056 YAIWJGORFDQULX-MRXNPFEDSA-N 389.500 2.925 0 40 GFAB O=S(=O)(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 2086864872 OQUPMUNTOMNZMR-UHFFFAOYSA-N 383.823 2.804 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1CCCN1c1ccccc1 207990948 LVWZFPDIYCBZEO-SFHVURJKSA-N 376.460 2.572 0 40 GFAB COc1ccccc1-c1noc(Cn2c(=O)n(C(C)C)c(=O)c3ccccc32)n1 44167454 FWHIMVFTGXOKPR-UHFFFAOYSA-N 392.415 2.851 0 40 GFAB COC(=O)c1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1 21322256 IRCSFNZLJACWPI-VUVZNRFTSA-N 382.460 2.914 0 40 GFAB O=C(CCN1CCC[C@H](C(=O)Nc2cnccn2)C1)Nc1ccccc1Cl 40149658 VFGKOAPKFSCUKS-AWEZNQCLSA-N 387.871 2.809 0 40 GFAB C[C@H](NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 102219825 UVTIJLMNERWMCM-QAETUUGQSA-N 375.513 2.962 0 40 GFAB Cc1nc(C)c(CC(=O)NCc2ccccc2COCc2ccccc2)c(=O)[nH]1 32739008 VGAZKHIAMMHSAZ-UHFFFAOYSA-N 391.471 2.962 0 40 GFAB C[C@@H](NC(=O)c1cccs1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32869219 LLKLIZPSZSCQLG-LLVKDONJSA-N 394.880 2.650 0 40 GFAB O=C(CCSCc1cc(=O)n2ccsc2n1)Nc1ccc2c(c1)OCO2 32825939 BFIXVOYJNAEUHN-UHFFFAOYSA-N 389.458 2.747 0 40 GFAB Cc1ccc(OCCNC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 32802202 FQVBBAPHSVKVMH-OAQYLSRUSA-N 383.492 2.747 0 40 GFAB Cn1cc(C(=O)NCCc2ccccn2)c(-c2ccc3c(c2)OCCCO3)n1 21774215 ASGXDQUTMXNIPO-UHFFFAOYSA-N 378.432 2.616 0 40 GFAB Cc1nc(-c2cccc(NC(=O)NC[C@H]3CCN(CC(F)(F)F)C3)c2)n[nH]1 103293542 CNIQRHAUGGADQR-GFCCVEGCSA-N 382.390 2.786 0 40 GFAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2cccc3ccccc23)CC1 22775857 AQTSZHAKJDJOTH-UHFFFAOYSA-N 396.535 2.701 0 40 GFAB CC(C)n1ncc2cc(NC(=O)CSc3nnnn3C3CCCC3)cnc21 23885224 CICLIEJNWNRWMO-UHFFFAOYSA-N 386.485 2.845 0 40 GFAB CCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2oc(CO)cc(=O)c2O)cc1 937981 LKVSNFRGCRPUIX-SFHVURJKSA-N 396.399 2.611 0 40 GFAB COc1cccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)c1OC 2389001 DAJXGSCOPOYZPU-WJDWOHSUSA-N 379.441 2.691 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)c(OC)c1 2427744 HVTNJLRUHGWCBC-UHFFFAOYSA-N 399.476 2.715 0 40 GFAB CCOC(=O)c1c(NC(=O)CNCCC(C)C)sc2c1CCN(CC)C2 2635067 VYBXOWRUTHVQDR-UHFFFAOYSA-N 381.542 2.877 0 40 GFAB CCCNC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3259853 JGGHPSXTUZYCMB-UHFFFAOYSA-N 393.472 2.652 0 40 GFAB C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 3333272 KYKNAJXINOVNML-LIRRHRJNSA-N 390.443 2.508 0 40 GFAB O=C(Oc1ccc2c(c1)OCO2)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3431211 FFDVCJBBGSQKIP-INIZCTEOSA-N 389.429 2.564 0 40 GFAB COc1ccccc1CNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3494205 JYZPXEMTCNOMBM-UHFFFAOYSA-N 399.428 2.882 0 40 GFAB COC(=O)CCCCC1=C(NC(C)=O)[C@@H](NC(=O)c2ccccc2)CS1 4040235 UBADDDCALAXWIW-HNNXBMFYSA-N 376.478 2.613 0 40 GFAB biogenic COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1ccc(C)cc1 4074098 VMRLABMFDMXMSN-BTYIYWSLSA-N 398.484 2.898 0 40 GFAB biogenic CCNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C 4291786 YRYGVXZFZWOXDY-UHFFFAOYSA-N 396.534 2.735 0 40 GFAB Cc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)s1 4341449 CWTWWRZIPPRXJJ-UHFFFAOYSA-N 383.462 2.706 0 40 GFAB COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 4554434 ZMHRPNJYTBCYCN-UHFFFAOYSA-N 394.468 2.944 0 40 GFAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C 4897740 DCQOHLFHWOQBPJ-STQMWFEESA-N 392.554 2.779 0 40 GFAB CCC(CC)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 4976491 GWUFDRBSXPSLOM-SFHVURJKSA-N 399.535 2.891 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)cc1C 5392133 NKXMIFQYLFAKHJ-UHFFFAOYSA-N 379.489 2.956 0 40 GFAB CCC(=O)c1ccc(OC[C@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 5818775 OQGOXXDCKNDRQM-GOSISDBHSA-N 387.476 2.869 0 40 GFAB COc1cccc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3cccnc32)c1 6805122 ZJFRUOGDAZGXAX-UHFFFAOYSA-N 391.402 2.803 0 40 GFAB CCN(CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc(C)c1 7792127 JOXQWFJRQLTPPG-OALUTQOASA-N 385.508 2.503 0 40 GFAB CCCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8032296 QGNIXONBYJXJFO-UHFFFAOYSA-N 380.423 2.934 0 40 GFAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1Cl 8092087 PNVVBTKVAPXQJO-UHFFFAOYSA-N 391.779 2.971 0 40 GFAB CCc1ccccc1NC(=O)CNC(=O)C[C@H]1Sc2ccccc2NC1=O 8423447 VICYJURLEUXYSM-QGZVFWFLSA-N 383.473 2.807 0 40 GFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)C(CC)CC 8770413 LKBXHAHMKNHUBA-UHFFFAOYSA-N 375.400 2.923 0 40 GFAB CCOc1cccc2cc(C(=O)Nc3c(C)nc4sccn4c3=O)c(=O)oc12 8931663 RTKPBJSQFYLRCY-UHFFFAOYSA-N 397.412 2.822 0 40 GFAB CCOC(=O)N1CCC(NC(=O)COc2ccc(Br)cc2)CC1 9048948 MJXMASXEXVKPKX-UHFFFAOYSA-N 385.258 2.565 0 40 GFAB C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)Nc1ccc2c(c1)OCCO2 9267065 CTPDSCQHEVJOEQ-LBPRGKRZSA-N 379.372 2.585 0 40 GFAB CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2nnc(C)s2)s1 9366927 SVVRKOBKNRORHQ-UHFFFAOYSA-N 386.528 2.804 0 40 GFAB CN(C)c1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 9573874 SCUKDPADLXRKGP-UHFFFAOYSA-N 380.423 2.545 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(N2CCCCC2)cc1 10742198 KYINYLJUKJNXCT-UHFFFAOYSA-N 392.459 2.709 0 40 GFAB Cc1sc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)N1CCN(C=O)CC1 11865741 BZVVFACVHNRBAP-UHFFFAOYSA-N 399.394 2.931 0 40 GFAB CCCc1nnc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)s1 11914240 ZBENIOOMABXBJH-UHFFFAOYSA-N 375.841 2.942 0 40 GFAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)nc12 12117705 MBWKEOZHQMXXCX-HOTGVXAUSA-N 381.480 2.652 0 40 GFAB CC[C@H](CO)NC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12226770 OMUAUVMKELIUAR-CQSZACIVSA-N 376.428 2.707 0 40 GFAB Cc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1)[C@@H](CN(C)C)CO2 12406662 LISXOTHQHKVYLZ-KRWDZBQOSA-N 378.469 2.648 0 40 GFAB O=C(c1nc(-c2ccncc2)no1)N1CCN(c2nsc3ccccc23)CC1 12409623 BCBXTATWUFWUNX-UHFFFAOYSA-N 392.444 2.704 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 12512037 VLWDAIGZRSLAQL-UHFFFAOYSA-N 379.844 2.559 0 40 GFAB CN1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 12530085 LNDMNRSKDQFBDX-ROUUACIJSA-N 377.448 2.981 0 40 GFAB biogenic,in-vitro CC(C)(C)c1ccccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 12915687 SRDVOMJIYVLRFF-UHFFFAOYSA-N 391.471 2.995 0 40 GFAB CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 12945485 ICYUAPYTBTTWIN-UHFFFAOYSA-N 386.395 2.934 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(Cc3cccs3)o2)cc1 13653502 RXCISRXSBAXCBS-UHFFFAOYSA-N 391.474 2.833 0 40 GFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)cn1 15616980 KCSPDQGKLDUIJJ-UHFFFAOYSA-N 383.857 2.683 0 40 GFAB CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCC2)cc1 17307932 AKWZFRLFUIFGRX-UHFFFAOYSA-N 399.491 2.880 0 40 GFAB CC(=O)N[C@]12CN(Cc3cccc(OC4CCCC4)c3)C[C@H]1CCN(C(C)=O)C2 19713732 OBGZWXVJGVJSGD-OFNKIYASSA-N 399.535 2.567 0 40 GFAB Cn1cc(CN2CCC[C@@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 19749739 DCPVTOKUGRYXMO-QGZVFWFLSA-N 381.455 2.892 0 40 GFAB Cc1ccc([C@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 20453795 NWPHFXCONOBNND-INIZCTEOSA-N 390.505 2.643 0 40 GFAB COc1c(F)cc2c(=O)c(C(=O)NCc3ccco3)cn(CCF)c2c1F 20735723 UMTFISOZBKNENH-UHFFFAOYSA-N 380.322 2.781 0 40 GFAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)cc1 21591325 ALMFMMCRSUEMLC-OAHLLOKOSA-N 384.432 2.745 0 40 GFAB COC(=O)C1CCN([C@H](c2ccccc2)c2sc3nc(C)nn3c2O)CC1 23156776 UBPMVMVJBCGFMQ-OAHLLOKOSA-N 386.477 2.779 0 40 GFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)NC(=O)c1cccs1 25101167 FQLNKBWQEKUKMI-OAHLLOKOSA-N 386.521 2.565 0 40 GFAB Cc1cccc(N2CCN(CCCNS(=O)(=O)c3cccc(F)c3)CC2)c1 26975051 GAMARVTVGGLQCR-UHFFFAOYSA-N 391.512 2.625 0 40 GFAB CC(C)N(C(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1)c1ccccc1 27777693 CKKJRFMPYXDADT-UHFFFAOYSA-N 385.430 2.819 0 40 GFAB Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207244 ZKHKTHYXSKPABD-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CC[C@@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccccc1 29671135 WGUZNEACYGJUAI-GOSISDBHSA-N 380.444 2.894 0 40 GFAB Cc1cccc(N2C(=O)CN(CCC3=CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 31773615 CTFAMMXMZVIPDB-VQTJNVASSA-N 388.533 2.700 0 40 GFAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccnn3C(C)C)C2=O)cc1 31845887 IPTNRYAXKCQNFQ-OAQYLSRUSA-N 397.479 2.993 0 40 GFAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccco1 32127277 ASGAVNZHHPFSTQ-UHFFFAOYSA-N 388.474 2.853 0 40 GFAB C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 32723171 MHIDCLAUFDIPMX-ROUUACIJSA-N 385.483 2.920 0 40 GFAB CN1CC(=O)N(c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)C1=O 32935313 ZHPGXYNMISKCMS-UHFFFAOYSA-N 379.825 2.539 0 40 GFAB CNC(=O)[C@@H]1CCCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 33212805 QOLASXHFZMPUJW-HNNXBMFYSA-N 377.391 2.680 0 40 GFAB Cc1ccc(NC(=O)CCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 36575911 HCXIBHNRUMXIET-MSOLQXFVSA-N 393.487 2.911 0 40 GFAB biogenic CCCOc1ccc(-c2noc(-c3ccc(S(=O)(=O)NC)o3)n2)cc1OC 44974416 CWFCBULATNCBSI-UHFFFAOYSA-N 393.421 2.702 0 40 GFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 47190174 YVLXYRLOAXWGLO-CVEARBPZSA-N 398.525 2.779 0 40 GFAB COc1ccc(CCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1OC 47276342 BFDVZTNHGQIUEL-UHFFFAOYSA-N 398.503 2.785 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2ccc3nsnc3c2)N2CCOCC2)cc1 49408328 JWVYXJGQPRNWBV-IBGZPJMESA-N 382.489 2.803 0 40 GFAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(N2C(=O)CCC2=O)cc1 54224997 RBQQYVIYTHGXGG-UHFFFAOYSA-N 378.363 2.917 0 40 GFAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C 55991413 GFPBYRRCOWALND-AWEZNQCLSA-N 397.518 2.755 0 40 GFAB CCn1nnc2cc(C(=O)NCc3ccc(OC(F)F)c(OC)c3)ccc21 57821364 ACQCZBHSMYBCFS-UHFFFAOYSA-N 376.363 2.991 0 40 GFAB CSc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2nccn2C)c1 58357030 VELKBSPXNOWSGR-QGZVFWFLSA-N 380.473 2.986 0 40 GFAB O=C(NCC(=O)N1CCC(c2ccccc2)CC1)c1c[nH]c2ccccc2c1=O 58394089 DMJSDFYHZIFDOQ-UHFFFAOYSA-N 389.455 2.664 0 40 GFAB CCn1cc(-c2cc(C(=O)N3CCN(C)C(=O)[C@H]3C)c3ccc(C)cc3n2)cn1 63870487 WFJSIOVABOCPCY-OAHLLOKOSA-N 391.475 2.729 0 40 GFAB C[C@H]1CN(CCNCc2cc(Br)c3c(c2)OCCCO3)C[C@H](C)O1 65890220 ISVWAHWLYNTMPS-KBPBESRZSA-N 399.329 2.809 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](O)(c1ccccc1)C1CC1 70969006 AMBQSSLAHCYNEH-FQEVSTJZSA-N 388.851 2.701 0 40 GFAB CCc1nc(CN2CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)no1 72305816 OGKSTBGFIZQCQZ-UHFFFAOYSA-N 399.480 2.500 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349689 LUJAMOCEMRKZJW-SFHVURJKSA-N 383.467 2.926 0 40 GFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)cc1 72378376 RVUBLNKIIMCPNY-LJQANCHMSA-N 377.448 2.886 0 40 GFAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccc4[nH]ccc4c2)C3)C1 72380244 ZLQUNVLFTPJMRD-GOSISDBHSA-N 378.480 2.501 0 40 GFAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 72400871 PNIYDWMTZHLSQQ-UHFFFAOYSA-N 390.846 2.949 0 40 GFAB Fc1cc(Br)ccc1-c1nnc2sc(Cn3cccn3)nn12 72402102 ZSFPWDRZNWILIH-UHFFFAOYSA-N 379.218 2.999 0 40 GFAB O=C(c1ccc(N2CCOCC2)nn1)N(Cc1ccccc1)c1ccccn1 77099905 PDFSUPILUBNZOV-UHFFFAOYSA-N 375.432 2.555 0 40 GFAB C[C@@H]1c2cccn2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 78878076 ZTWTXMWBYSNAIB-HZPDHXFCSA-N 377.485 2.807 0 40 GFAB O=C(Nc1ccc(F)c(-n2cccc2)c1)C(=O)N[C@H]1CCC[C@H]1n1ccnc1 79023549 UOJTWUYOGNUEAW-DLBZAZTESA-N 381.411 2.661 0 40 GFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2c[nH]c3ccc(OC)cc23)c1 89274572 ATDLJXJLGSAZGZ-UHFFFAOYSA-N 388.445 2.857 0 40 GFAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c(C)c1 89591275 OPAMPEHDGPVBES-IBGZPJMESA-N 375.490 2.965 0 40 GFAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)n1)C(=O)Nc1ccc(C(N)=O)cc1 95466539 XHBQCNHSHXBIND-QMMMGPOBSA-N 382.203 2.671 0 40 GFAB CCOc1ccc([C@H](N)c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1OC 95534264 IEVSYBNAVWWSCO-FQEVSTJZSA-N 397.479 2.923 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96075132 YEMLPHMLRCBLSJ-JTSKRJEESA-N 396.418 2.974 0 40 GFAB CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 101620695 MRWQYZRQFBDJGN-SMDDNHRTSA-N 385.247 2.653 0 40 GFAB COc1ccc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2c1 102849490 XMMWRJWKZFGTAB-BETUJISGSA-N 387.461 2.809 0 40 GFAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(C)C1=O)[C@@H]3c1ccccc1 107424337 QTGLBIQKIDRKJE-DENIHFKCSA-N 389.455 2.881 0 40 GFAB biogenic COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)c(Cl)c3)C2=O)o1 107699611 VZYIEOLIKYFLQN-JYRVWZFOSA-N 390.779 2.821 0 40 GFAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccccc1 113481571 TZEDLOLPFSHVQT-GJZGRUSLSA-N 399.541 2.924 0 40 GFAB COc1ccc(CCC(=O)NCCCc2cnc3cc(C)nn3c2)c(OC)c1 206821308 FYUHSWICPFFDMT-UHFFFAOYSA-N 382.464 2.737 0 40 GFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 224722728 GXFVMMNZOAKCFZ-DTTOXWODSA-N 380.510 2.545 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2C)cc1OC 224793140 ZUOZITORBPOZLQ-UHFFFAOYSA-N 379.434 2.601 0 40 GFAB CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 225539814 ZCXHINPQSFEBBH-UHFFFAOYSA-N 380.897 2.760 0 40 GFAB O=C(CCc1ccccc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226097759 SAVUAOQFVANWNE-UHFFFAOYSA-N 386.517 2.763 0 40 GFAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)O)cc1 242548050 LAVGVDDIQPWLTO-RYRKJORJSA-N 379.865 2.624 0 40 GFAB CN(CC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1)Cc1ccccn1 257271765 MZSCDVWBOMAXKP-FYYLOGMGSA-N 395.503 2.743 0 40 GFAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 260771877 LWIGXXWALRRPQK-NXOUGTEYSA-N 379.489 2.861 0 40 GFAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408595386 WMHJSFQUVVDHGF-SZUMLMDFSA-N 397.225 2.604 0 40 GFAB O=C([C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CC(n2cc(-c3ccccc3)nn2)C1 527487480 UNHKTXLWGQRIHQ-QBPKDAKJSA-N 392.381 2.684 0 40 GFAB Cc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)s1 575613815 VXTCEXSWQQHYTE-SFHVURJKSA-N 381.519 2.649 0 40 GFAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)s4)CC3)[C@H]2C1 585106204 DLAFPSJFSHRTIS-CVEARBPZSA-N 375.538 2.509 0 40 GFAB Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)c1 585106759 HNVDCKWJOQOYHJ-OFNKIYASSA-N 378.472 2.770 0 40 GFAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292348 KWYROWXARLQQSF-NFAHFFEMSA-N 386.525 2.727 0 40 GFAB C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@]2(CCO[C@@H]2C)O1 684114842 OBGMTQLLKFHAKM-HSMVNMDESA-N 389.374 2.823 0 40 GFAB Cc1ccc(S(=O)(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)s1 1776008796 NSGLGDBKIJNOJG-UHFFFAOYSA-N 378.397 2.922 0 40 GFAB CCN1C(=O)C[C@@H](C(=O)NCc2nc3ccccc3[nH]2)[C@@H]1c1ccccc1OC 1848354865 YDDOHTDPULWHOA-VFNWGFHPSA-N 392.459 2.797 0 40 GFAB CN1C(=O)[C@]2(CCCN(Cc3ncccc3F)C2)C[C@@H](O)[C@@H]1c1ccccc1 2037873423 IUMUZGLUCRAZPB-RZUBCFFCSA-N 383.467 2.767 0 40 GFAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@H](NCC3CC3)CS2)C1 2056224173 KTZIHVBIYDTTGQ-ZDUSSCGKSA-N 395.575 2.545 0 40 GFAB CS(=O)(=O)N[C@@H]1CCCN(c2nc3c(C(F)(F)F)cccc3s2)C1 2298215343 CCVXIMRLBUSORX-SECBINFHSA-N 379.429 2.833 0 40 GFAB COc1ccc(OCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 813802 KWRFANAEVHETHJ-UHFFFAOYSA-N 391.478 2.590 0 40 GFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3C)cc2c1 1366865 DLZJLHIFUXXOPS-UHFFFAOYSA-N 380.444 2.870 0 40 GFAB CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C 4218055 FHGNCSYWVSFORM-UHFFFAOYSA-N 381.841 2.650 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 4477343 WPEQJRCOMTZQGZ-IVZQSRNASA-N 377.444 2.822 0 40 GFAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)C)CC1 4859276 AJZKAIRYFUJKJI-UHFFFAOYSA-N 388.537 2.912 0 40 GFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCCC3)s2)c1 6818010 VSSCPGLKWXCKSB-UHFFFAOYSA-N 380.495 2.664 0 40 GFAB COc1ccc([C@H](C)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 107542271 AKXSLJPREXHHFZ-KRWDZBQOSA-N 378.476 2.791 0 40 GFAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 57318546 YDYXVCGLRIZPBF-BBWFWOEESA-N 379.932 2.795 0 40 GFAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)cc1 8433738 DEDXSKACNPGYFD-UHFFFAOYSA-N 376.453 2.796 0 40 GFAB CC[C@@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)NC1=S 8997355 FJMLSUBLPZDWFA-VWCVUJCZSA-N 391.924 2.893 0 40 GFAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 27158646 NFENINCLNAVECK-UHFFFAOYSA-N 384.823 2.921 0 40 GFAB CC(=O)NCC1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 58185990 YHGSQWLCUUOECI-UHFFFAOYSA-N 378.416 2.551 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1 3240475 IXLCMSCBIOQSCI-UHFFFAOYSA-N 383.231 2.913 0 40 GFAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC[C@H]1CCCO1 27936410 CYXRISRSWRLWBC-DTWKUNHWSA-N 384.196 2.829 0 40 GFAB COc1ccc2[nH]c(C)c(C(=O)CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c2c1 2147848 IJXXOEAHBKEJRV-HZPDHXFCSA-N 391.471 2.949 0 40 GFAB biogenic Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H]2COc3ccccc3C2)c1 28074096 BDEJIOKDCBOHSZ-HNNXBMFYSA-N 394.500 2.910 0 40 GFAB CN1CCC(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 58406595 BDNWQIYVMQEZKG-CQSZACIVSA-N 395.345 2.669 0 40 GFAB COc1cccc(OC)c1CN1[C@@H]2CC[C@@H]1Cc1c(nc3cc(C)nn3c1O)C2 100219527 HVHYGIMIEKWTLI-HUUCEWRRSA-N 394.475 2.892 0 40 GFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCc2ccccc21 2629026 GDYMYAZVUBGGNO-MRXNPFEDSA-N 399.516 2.861 0 40 GFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2648308 XRQRULFJZLKVPI-HNNXBMFYSA-N 384.407 2.923 0 40 GFAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)c1ccc(F)c(F)c1 12862419 LDVSNFIZNUJQOX-NSHDSACASA-N 397.399 2.643 0 40 GFAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)NCc1ccccc1 12880367 XTHXTQGBOPYWQI-QKKBWIMNSA-N 396.468 2.864 0 40 GFAB CN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2COc3ccccc3O2)CC1 3553101 IGOVRSREVDROMJ-IBGZPJMESA-N 387.867 2.870 0 40 GFAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 12911460 HRCLUERWVYXEJP-IAGOWNOFSA-N 375.538 2.545 0 40 GFAB COc1cc(/C=C/C(=O)N[C@@H](CC(=O)O)[C@H]2CCOC(C)(C)C2)ccc1O 4090740 ANWMARCYGUNBQT-CJKAQPIMSA-N 377.437 2.579 0 40 GFAB biogenic Cc1cc(C)c(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 5195850 UJGADPQLRXCNKJ-QGZVFWFLSA-N 391.489 2.800 0 40 GFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc3nsnc23)cc1 4668909 LUCCTTWXRRCVSK-UHFFFAOYSA-N 383.462 2.706 0 40 GFAB COc1ccc(-c2nc(NCc3ccc(F)cc3)n(S(C)(=O)=O)n2)cc1 4777305 GRWPYRVIFRSMKI-UHFFFAOYSA-N 376.413 2.513 0 40 GFAB COc1cc(OC)c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1Cl 6947968 ZZMAAESEFQWQPO-UHFFFAOYSA-N 387.823 2.785 0 40 GFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)CC1 20798766 AYJSLPPVGXUQSI-MRXNPFEDSA-N 378.856 2.555 0 40 GFAB Cc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)n(N)c1=O 16618880 UMIZRGBYMQCSRO-UHFFFAOYSA-N 390.472 2.806 0 40 GFAB COc1ccc(-c2nc3nc(O)cc(NC(=O)Cc4ccccc4)n3n2)cc1 17029304 RANMUNCLHNQMNY-UHFFFAOYSA-N 375.388 2.687 0 40 GFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O 8506958 FTARDSSWPWUOEU-UHFFFAOYSA-N 389.471 2.969 0 40 GFAB COc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(OC)c1OC 9709743 LBFQADKHMWLSKZ-UHFFFAOYSA-N 395.419 2.953 0 40 GFAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N([C@@H](C)C(=O)NCC(F)(F)F)C1=O 9862646 YHVOAADAWYKKEA-VFZGTOFNSA-N 391.777 2.564 0 40 GFAB C[S@](=O)Cc1cccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 89493148 LMIXMHWOLNOWHL-IYJVBRSBSA-N 391.411 2.523 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 306126820 FGBOWWCWZXPYSO-IRLDBZIGSA-N 396.491 2.891 0 40 GFAB CCn1cc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 306142917 XOBXXPYKTDDHQV-GOSISDBHSA-N 379.512 2.926 0 40 GFAB COCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2cccnc21 35314448 NDAIKOSUXGSGSC-UHFFFAOYSA-N 385.493 2.875 0 40 GFAB O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1-n1cnnn1 510077777 CUTCADLEDUQURW-UHFFFAOYSA-N 397.866 2.794 0 40 GFAB O=C(Cn1cc(C(=O)N[C@@H](c2cccnc2)C2CC2)cn1)NC1CCCCC1 534007015 YCCWTCGWOXNHDS-HXUWFJFHSA-N 381.480 2.608 0 40 GFAB CCc1ccc(NC(=O)Cn2nc3c4ccc(Cl)cc4ncn3c2=O)cc1 62006719 WXQOWSZGVXHXLT-UHFFFAOYSA-N 381.823 2.899 0 40 GFAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCOCC2)cc1 38756099 ZDCFTTQEXGFIFP-UHFFFAOYSA-N 390.487 2.943 0 40 GFAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 38771853 FDEZJADKBHGYAB-SFHVURJKSA-N 376.478 2.972 0 40 GFAB CCSc1nnc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)s1 225729696 LVFAVVWWIPODRS-UHFFFAOYSA-N 398.535 2.832 0 40 GFAB COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919504 JSOMEDXBNNRAQG-KRWDZBQOSA-N 386.467 2.938 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1 223673282 CMYXHEUZQBRSPR-UHFFFAOYSA-N 381.266 2.994 0 40 GFAB COc1ccccc1C1=NO[C@](C)(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 222283791 GBQWSWCKMRPAKU-UGKGYDQZSA-N 381.476 2.997 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(OC)c1 44844907 JQHLTROVOLMNMS-UHFFFAOYSA-N 390.461 2.940 0 40 GFAB CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224814788 IKFLXMRKCIGXSQ-UHFFFAOYSA-N 379.434 2.706 0 40 GFAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc2sncc2c1 226039820 BGCKQGJGJLKQOW-UHFFFAOYSA-N 389.502 2.739 0 40 GFAB O=S(=O)(c1cc(Br)c2cccc3c2c1CC3)N1CCOCC1 41105694 SRIBEBSHCLOLMN-UHFFFAOYSA-N 382.279 2.722 0 40 GFAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935927 DZQDVMXNXSDGHZ-VQIMIIECSA-N 388.489 2.790 0 40 GFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)s1 223299086 WBXJRAHUPOHTDV-UHFFFAOYSA-N 381.266 2.994 0 40 GFAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCC1 225595168 OXTYRYGBAJLCCZ-HNNXBMFYSA-N 375.519 2.972 0 40 GFAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CN3CCN(c4nccs4)CC3)[C@H]1C2 195563888 DASNRJNGYIFZAE-FGTMMUONSA-N 377.554 2.635 0 40 GFAB CCN1Cc2c(C(=O)Nc3ccc(C)cc3)ncn2-c2ccccc2S1(=O)=O 96266141 PPTQNHRHWYQVIC-UHFFFAOYSA-N 396.472 2.957 0 40 GFAB O=C1CO[C@]2(COCCN(Cc3ccc(F)cc3)C2)CN1c1ccc(F)cc1 96051309 YXRPDPVBLVDPKI-NRFANRHFSA-N 388.414 2.599 0 40 GFAB CC(C)n1nc(CN2CCCC2)c2c1CN(S(=O)(=O)c1ccccc1)CC2 96255949 XALLDSWKWMLWEA-UHFFFAOYSA-N 388.537 2.807 0 40 GFAB CCn1c(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)cc2ccccc21 585082133 MIMCHWIMXVIYPZ-UHFFFAOYSA-N 397.500 2.768 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)[C@@H]4C[C@H]4C)nn3c2O)C1 248150471 GUGSAROJMAAULR-SIIHOXLZSA-N 383.496 2.521 0 40 GFAB N[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242723129 YDTFOIOJMDROAO-IIAWOOMASA-N 386.256 2.715 0 40 GFAB CN(C)[C@@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(F)c1 591814684 ANSBUMRMHVYGSR-HNNXBMFYSA-N 376.375 2.824 0 40 GFAB CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CC[C@H]3CCc4ccccc43)[C@H]2C1 641395215 PFTPVDYNFMPFBS-JYBIWHBTSA-N 379.522 2.705 0 40 GFAB O=C(O)COc1cccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 659752286 PIMULHYJAAUUMT-UHFFFAOYSA-N 388.851 2.761 0 40 GFAB Cn1ncc(C2CC2)c1CNC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 661109423 JAOQCGXOJAIPJL-PKOBYXMFSA-N 376.464 2.839 0 40 GFAB Cc1ccncc1Cc1nc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)no1 664812499 YGNMROVAGNKNJQ-UHFFFAOYSA-N 386.477 2.965 0 40 GFAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCc1c[nH]c2ccccc12 67126403 MJTRWOSTKQZLOV-ZIFCJYIRSA-N 386.521 2.552 0 40 GFAB biogenic Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585290773 FBPQURFMPZJQCJ-LXXRFIIISA-N 389.463 2.686 0 40 GFAB CCN(CC)CCCC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 96007914 IBYXXRSSSYGOKM-NHCUHLMSSA-N 379.589 2.990 0 40 GFAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1 5090477 LHVDAFLHMGQOGY-UHFFFAOYSA-N 379.416 2.800 0 40 GFAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(OC)c1 5482510 HKBSZUBAQVPMIG-LJQANCHMSA-N 397.431 2.979 0 40 GFAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1S(C)(=O)=O 12085352 CBVIAKOHBXOIIE-GFCCVEGCSA-N 388.411 2.753 0 40 GFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(CC(=O)NCc3ccco3)C2)n1 12117210 OVWPCCOQSJLSKL-GOSISDBHSA-N 391.475 2.936 0 40 GFAB CN1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)[nH]n3)ncc2C1 19083642 NFOUQJZMVXMVOW-QGZVFWFLSA-N 382.512 2.853 0 40 GFAB C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC1 19655146 BPBUDVVOQHHNQX-AWEZNQCLSA-N 384.446 2.917 0 40 GFAB COc1ccc([C@@H](NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C2CC2)cc1 19715351 CERQUAMKASEFNQ-AGGMIZPZSA-N 399.491 2.763 0 40 GFAB Cc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1S(=O)(=O)NC(C)C 19718421 ATCGLWOVUNBVPQ-UHFFFAOYSA-N 386.477 2.821 0 40 GFAB O=C(CSC1CCCC1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220837760 MYYZSHDCERYVSW-AWEZNQCLSA-N 387.509 2.984 0 40 GFAB OC[C@@]1([C@H](NCc2ncc(Cl)cc2Br)C2CC2)CCCO1 529580549 MMFGELVXFDKIKD-HUUCEWRRSA-N 375.694 2.907 0 40 GFAB COc1cccc([C@@H]2CN(C(=O)CN3CCCCC3)C[C@H]2c2csnn2)c1 12163082 QOVSOMPACJYPDD-ZWKOTPCHSA-N 386.521 2.742 0 40 GFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCCCC1)CC1(CCN(C)CC1)O2 19218534 YQSDQZVYZCATBM-UHFFFAOYSA-N 399.535 2.697 0 40 GFAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 6056698 VXHHQUXCIUJUAI-UHFFFAOYSA-N 381.461 2.714 0 40 GFAB COc1cc(OC)cc(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)c1 1888867122 UDFFATWFIPULGB-UHFFFAOYSA-N 381.354 2.736 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1 25617012 NLZFKZKODDKMGT-OAHLLOKOSA-N 388.489 2.729 0 40 GFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1Cc2ccccc2O1)CC3 25893342 IXZBJXQKHAEYBQ-FQEVSTJZSA-N 376.412 2.843 0 40 GFAB CCn1cc(Cl)c(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)n1 240104327 UQDSNFNKRRZUHH-UHFFFAOYSA-N 387.856 2.653 0 40 GFAB O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)Nc1nccs1 2720470 AUDABQVUAUCLPK-UHFFFAOYSA-N 376.419 2.695 0 40 GFAB CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)C)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4037327 HFTTWJOZPDZNPT-VWNVYAMZSA-N 390.476 2.976 0 40 GFAB O=C1C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(Cl)cc1 5222267 QGMWWSMPWSHCAK-GFCCVEGCSA-N 386.807 2.702 0 40 GFAB COc1cc(NC(=O)COC(=O)c2cc(C(C)=O)n3ccccc23)cc(OC)c1 10272903 OUYCACYTOODDHI-UHFFFAOYSA-N 396.399 2.955 0 40 GFAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1OC 11694810 FKIIGMYGMSPYQL-ZNZDAUKMSA-N 393.447 2.954 0 40 GFAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3ccccc3F)nn2)on1 11738925 CHMPSKFNUXKRCD-UHFFFAOYSA-N 387.396 2.895 0 40 GFAB Cc1ccccc1NC(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148460 FMEYWCUAEMJIBO-UHFFFAOYSA-N 398.385 2.818 0 40 GFAB Cc1cccnc1OCC1CCN(S(=O)(=O)c2cn(C)c(C(C)C)n2)CC1 585526032 FKPRONGZPGRQJB-UHFFFAOYSA-N 392.525 2.727 0 40 GFAB Cc1nc2ccccc2nc1N1CC(Cn2nc(-c3ccncc3)ccc2=O)C1 585606242 SQENLSQSFVLIQT-UHFFFAOYSA-N 384.443 2.693 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)n1 11782092 XIHZMAFMSOIXIF-UHFFFAOYSA-N 377.400 2.639 0 40 GFAB Cc1cc(N(C)C)nc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 38488323 GWDSXYZMXJVOLE-UHFFFAOYSA-N 391.903 2.890 0 40 GFAB O=S(=O)(NC[C@]1(O)CCc2ccccc2C1)c1ccc(Br)cc1 90611560 BGWGOOHTFCJJQL-KRWDZBQOSA-N 396.306 2.647 0 40 GFAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 32745353 DWIXATKQGVYWGO-OAQYLSRUSA-N 397.500 2.662 0 40 GFAB COC(=O)c1cc(COC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)oc1C 32954681 HIKRUFKLXLVHIW-IBGZPJMESA-N 387.432 2.801 0 40 GFAB O=C1C[C@@H](n2nc(-c3ccccc3Br)oc2=S)[C@H]2CO[C@H]1O2 103020076 PWQGUYBBFKDPCJ-XWIASGKRSA-N 383.223 2.890 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1C 847219 PKJQMAYRZAVRII-UHFFFAOYSA-N 380.422 2.906 0 40 GFAB COc1ccc(O[C@@H](C)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 23222411 HUPMDKPTUDVMRB-LBPRGKRZSA-N 388.807 2.867 0 40 GFAB CCOC(=O)c1nn(-c2ccccc2)c2nc(Nc3ccccc3)cc(=O)n12 1019407 FRAZIQLTRDCUAT-UHFFFAOYSA-N 375.388 2.801 0 40 GFAB CCOC(=O)c1c(NC(=O)N2CCN(C(=O)OCC)CC2)sc(C)c1C 24562809 KHMFDEBLBQYIKP-UHFFFAOYSA-N 383.470 2.848 0 40 GFAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(CCc2ccccc2)CC1 24622490 QJSSQHIJPOLTBD-UHFFFAOYSA-N 379.504 2.502 0 40 GFAB C[C@@H](OCCCNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 12526335 GSRZPQLTIWRGHK-OAHLLOKOSA-N 376.478 2.956 0 40 GFAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 24749663 UBSNCMBMDXYGQW-SFHVURJKSA-N 379.503 2.924 0 40 GFAB O=C(Nc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CC1 56088929 XLQSOZQQWSIXGO-UHFFFAOYSA-N 389.429 2.964 0 40 GFAB CC(C)(C)c1nnc2sc(SCC(=O)Nc3ccccc3F)nn2c1=O 4569848 JGFOLUHOQBUPSN-UHFFFAOYSA-N 393.469 2.713 0 40 GFAB CC(C)(C)C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 6416982 RFTRUSKEUZTEKL-UHFFFAOYSA-N 378.523 2.992 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1C 10301263 ZUCWTIUQJZGZLT-UHFFFAOYSA-N 398.431 2.931 0 40 GFAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 10445157 MEBGDTUYBWEGQY-UHFFFAOYSA-N 390.461 2.820 0 40 GFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2093572 WTBPRYBJRCLLKP-FQEVSTJZSA-N 395.411 2.985 0 40 GFAB biogenic CN(C(=O)CSc1nnc(COc2ccccc2F)n1N)C1CCCCC1 23074748 GGNLYZSAWCZPRI-UHFFFAOYSA-N 393.488 2.593 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC 9063867 RVMJIZHKLVDPCU-UHFFFAOYSA-N 396.896 2.967 0 40 GFAB CC1CCN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 58420726 BKEBBXUBUIEOHE-INIZCTEOSA-N 380.483 2.822 0 40 GFAB COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1-n1cnnn1 36359972 RHFHJPKFHNTGNJ-UHFFFAOYSA-N 394.218 2.995 0 40 GFAB Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1F 11005034 FXLZZGJQGLRYLP-UHFFFAOYSA-N 394.443 2.810 0 40 GFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c[nH]c2ccccc2c1=O 22234001 QTDRWUBMIURJJJ-UHFFFAOYSA-N 382.372 2.584 0 40 GFAB Cc1nc2c(cc1C(=O)N[C@H](C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C 45985722 VOYNEWBMODUKJN-LLVKDONJSA-N 377.448 2.961 0 40 GFAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(F)c1 58304088 NZDVNXJAPLFVKZ-HXUWFJFHSA-N 384.407 2.517 0 40 GFAB COc1ccc2c(c1)[C@H]1NC(=S)N(c3ccccc3)[C@@](C)(O2)[C@@H]1C(=O)N(C)C 2963056 MTQHCJGIUKKEKL-UEXGIBASSA-N 397.500 2.944 0 40 GFAB CCCOC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186654 IXMLMCBAXDISNI-CBGDNZLLSA-N 391.439 2.634 0 40 GFAB CC(C)[C@@H](OC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O 3422093 TUPGBWIRSIRRKG-QGZVFWFLSA-N 376.453 2.710 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(N2CCCCC2)nc1 65505205 NERUPRLAJBDHHY-UHFFFAOYSA-N 380.448 2.826 0 40 GFAB COCc1ccc(C(=O)NCc2cc(O)n3nc(-c4cccnc4)cc3n2)cc1 100744377 DIUOFRPHGNHCKM-UHFFFAOYSA-N 389.415 2.573 0 40 GFAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 3595413 SYCCXGBEWHRCTO-IBGZPJMESA-N 377.872 2.756 0 40 GFAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(C)C)c2)cc1 3565751 UGFUHPBDXLLLIX-UHFFFAOYSA-N 376.478 2.906 0 40 GFAB COc1cc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc(OC)c1OC 13022161 TUVJOBOGWZGOLB-UHFFFAOYSA-N 398.459 2.877 0 40 GFAB CCc1nnc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2C)s1 5033640 VLYPOLJMGIUYID-JTQLQIEISA-N 375.483 2.504 0 40 GFAB Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCC(c2ccccc2)=N1 4252139 RZCITWUTXORZAG-UHFFFAOYSA-N 377.473 2.993 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 26538719 FETKARGJSYVNHI-KRWDZBQOSA-N 382.460 2.835 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)COCC(=O)NCc2cccc(Br)c2)C1 4681023 DAEFGGGFCSOEFJ-ZIAGYGMSSA-N 397.313 2.586 0 40 GFAB O=C(Nc1cccc(I)c1)c1n[nH]c(=O)c2ccccc12 6653189 HXDDABFTHQQQAE-UHFFFAOYSA-N 391.168 2.780 0 40 GFAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 5601519 ORWBKEFWVYWJTF-UHFFFAOYSA-N 384.413 2.855 0 40 GFAB COC(=O)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 6913941 VSAFZBWMQBEOFQ-GXDHUFHOSA-N 376.368 2.826 0 40 GFAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c(OC)c1 4937174 YDYGBIUBGQEVAY-UHFFFAOYSA-N 385.445 2.682 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 4954023 RDVYISTYHJKKNA-FJSNCCPHSA-N 396.443 2.852 0 40 GFAB Cc1cccc(OCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 25458419 AFSAISNCEGDFKT-UHFFFAOYSA-N 396.896 2.610 0 40 GFAB CCc1cccc2c(/C=N/NC(=O)CN3C(=O)COc4ccccc43)c[nH]c12 7012427 QTYQMORLVYDXHT-FOKLQQMPSA-N 376.416 2.606 0 40 GFAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 7214604 WQYNEXPZJMZTGF-UHFFFAOYSA-N 389.477 2.603 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)CN(C2CC2)[C@H]2CCCc3ccccc32)cc1 67712243 OATZIQPYAXLVMV-FQEVSTJZSA-N 399.516 2.815 0 40 GFAB CCN1C(=O)N[C@H](c2c(F)cccc2Cl)C(C(=O)N2CCOCC2)=C1C 7987386 MDTYWYABWKQAHS-INIZCTEOSA-N 381.835 2.698 0 40 GFAB O=C(Cn1nnn(-c2ccccc2)c1=O)N(Cc1ccccc1)Cc1ccccc1 8156536 KMCJSZJRIQEPAT-UHFFFAOYSA-N 399.454 2.658 0 40 GFAB CC(=O)OCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 8132997 WRVHYCANBVEGLN-UHFFFAOYSA-N 390.461 2.689 0 40 GFAB CNC(=O)c1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 69177096 DVORYXGRAVHQMW-CYBMUJFWSA-N 388.418 2.972 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c1 9755149 MAYVOLLBCCRQLB-AWEZNQCLSA-N 375.446 2.802 0 40 GFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 9883474 BZCOBKMHFZGNHS-BTYIYWSLSA-N 384.480 2.726 0 40 GFAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1NS(C)(=O)=O 72289373 GIKQCDUIBGZPNQ-HNNXBMFYSA-N 375.494 2.826 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cn2)C[C@@H](C)O1 84713711 UFSIUSAPQIUCOZ-IYBDPMFKSA-N 388.512 2.863 0 40 GFAB OCCCN(Cc1cccnc1)Cc1cc2c(cc1Br)OCCO2 89793977 VGFBPLUYMROKKF-UHFFFAOYSA-N 393.281 3.000 0 40 GFAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCCCc1ccco1 35424002 AKPIPDAUTCFMCC-UHFFFAOYSA-N 382.395 2.749 0 40 GFAB CCOC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(Br)cc1 32919226 ZRJWFAIGZDFWKC-CYBMUJFWSA-N 378.288 2.705 0 40 GFAB COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 72363101 GNDNGVXDFDMHII-INIZCTEOSA-N 393.447 2.880 0 40 GFAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(Br)cc1 223316840 IGQGGITXTIRNOB-UHFFFAOYSA-N 383.223 2.993 0 40 GFAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223873158 XBCXBPWLTWCMBE-KGLIPLIRSA-N 377.462 2.743 0 40 GFAB CCOc1ccccc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225163761 CYESDTPVYMXWQE-KRWDZBQOSA-N 377.462 2.710 0 40 GFAB OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccc(F)cc2)CC1 225467917 OMIVGRRNUWJDHR-UHFFFAOYSA-N 391.512 2.598 0 40 GFAB biogenic,in-vitro COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 223588117 NBDFTFLVBRQYAF-PMACEKPBSA-N 394.500 2.846 0 40 GFAB CCN1Cc2c(C(=O)Nc3cccc(C)c3)ncn2-c2ccccc2S1(=O)=O 96147363 BHETXWDNUCBVST-UHFFFAOYSA-N 396.472 2.957 0 40 GFAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(CC2CC2)CC3)C1=O 96036480 NMBRYCGTPXZXMP-QHCPKHFHSA-N 382.552 2.628 0 40 GFAB Cc1ccc([C@H]2CCN(C(=O)Nc3cnc(N4CCNCC4)nc3)C2)c(C)c1 584827233 QNLCBVDPTSUEEF-KRWDZBQOSA-N 380.496 2.524 0 40 GFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242522455 ITJLHESTTAYOET-SFHLNBCPSA-N 387.501 2.697 0 40 GFAB Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)c4cn(C)nc4C)CCO3)n2)n1 257215455 CQDXZQGNGNTOTC-SFHVURJKSA-N 392.463 2.784 0 40 GFAB COC[C@@H](C)NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257224708 FCZBHZCEUODTME-MRXNPFEDSA-N 383.496 2.551 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 260932847 NEPXRHIFGOFNON-KXBFYZLASA-N 378.538 2.804 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 669494017 BISVLYLADSXLDM-ZDUSSCGKSA-N 381.841 2.705 0 40 GFAB O=C(O)CNS(=O)(=O)c1cccc(NC(=O)c2ccc(C3CCC3)cc2)c1 621541567 IIVZTDYXCRJFMQ-UHFFFAOYSA-N 388.445 2.569 0 40 GFAB Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1nc([C@H]3CCCO3)n[nH]1)CCC2 654638254 YCJAJBFNIPJXNU-CHWSQXEVSA-N 376.486 2.640 0 40 GFAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 575425661 VZTZKLZLGVBBNK-ZDUSSCGKSA-N 386.322 2.581 0 40 GFAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097227 GRAVORDUHZMYAF-HNNXBMFYSA-N 389.459 2.522 0 40 GFAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)COc2cccnc2)n1 585177424 LWZCDHIREOZZIB-GOSISDBHSA-N 379.420 2.886 0 40 GFAB Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC3CC(F)(F)C3)C[C@H]12 585109787 UKXPCKQSFJVYLS-JENIJYKNSA-N 386.446 2.966 0 40 GFAB CON(C)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)c1 56183094 ZMROBGHYMGTUJS-CYBMUJFWSA-N 378.450 2.827 0 40 GFAB CN1CCC(N2CC[C@H]3CC(=O)Nc4cc(F)ccc4OCC[C@H]3C2)CC1 1534646519 MTSLTMPWJOMSRV-HOTGVXAUSA-N 375.488 2.969 0 40 GFAB COCCCNC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O 5060359 QNIOKSINPRWTKB-UHFFFAOYSA-N 394.880 2.668 0 40 GFAB O=C(NC1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1)c1cc2c(s1)CCC2 12146189 WBQSFKJORVVMKT-UHFFFAOYSA-N 398.532 2.598 0 40 GFAB Cc1ccccc1CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 12986422 FPCYDHSPQNLENR-UHFFFAOYSA-N 379.504 2.937 0 40 GFAB COc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1Br 14158169 QJEZUROSYWYEGE-UHFFFAOYSA-N 392.209 2.888 0 40 GFAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCCCCC2)cc1 19590932 QLEZKCFRYDSIJT-HXUWFJFHSA-N 393.491 2.775 0 40 GFAB CC(=O)NCc1ccc(-c2ccc(C(=O)N[C@H]3CCCN(C)C3)c(C)n2)cc1 19700541 PIFQEAANGJBABN-IBGZPJMESA-N 380.492 2.517 0 40 GFAB O=C(N[C@@H](C(=O)O)c1ccccc1Br)c1cnc2n1CCCC2 630208310 SGUBIVUKYQZZNG-CQSZACIVSA-N 378.226 2.538 0 40 GFAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCc2ccccc2C1 15861496 OVLRKUVYRJQYIT-UHFFFAOYSA-N 395.484 2.746 0 40 GFAB COC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12 3321995 YCTOCUCSEQVKKC-UHFFFAOYSA-N 378.388 2.960 0 40 GFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc3c(c2)OCCO3)c1C 9048844 LXISVHYRLIMUST-UHFFFAOYSA-N 390.461 2.577 0 40 GFAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)COc4ccccc4F)C[C@H]3C2)nn1 1888883425 OMVJLAPTAUUQCX-HZPDHXFCSA-N 398.482 2.887 0 40 GFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cccc(N(C)C)c5)C[C@H]4C3)n1)CCC2 1888890233 OWWYHGKQOVNEJS-HDICACEKSA-N 391.519 2.548 0 40 GFAB COc1ccc(S(=O)(=O)N2CC[C@H](COc3ccc(C)nn3)C2)cc1Cl 1889777831 XVVUMHLYQWKGKS-ZDUSSCGKSA-N 397.884 2.537 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1Cl 16293027 CNXHLRPRRXNOEU-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB O=C(NC[C@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccon1 10333963 BWSBIPYPWOGIEH-GOSISDBHSA-N 378.432 2.720 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](COc3ncccn3)C2)cc1Cl 1775968770 VHIHRFFHCUNYLN-CYBMUJFWSA-N 397.884 2.618 0 40 GFAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(Cc3n[nH]c4c3CCC4)C[C@@H]2C1 2298067721 FFWOXQBZFQBJGL-BETUJISGSA-N 377.414 2.880 0 40 GFAB O=C([C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCC(F)(F)CC1 2298188592 FLTKBQHTDOZGBB-LLVKDONJSA-N 378.345 2.970 0 40 GFAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2c(F)cccc2Cl)n1 7419568 KBFNQYUGNBCOKT-UHFFFAOYSA-N 375.791 2.871 0 40 GFAB COc1cc(CN(C)C(=O)c2ccc(CNC(N)=O)cc2)ccc1OC(F)F 20923268 BTFNIHQGEOPHMD-UHFFFAOYSA-N 393.390 2.737 0 40 GFAB CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 32797182 ZYILKYCPXJHYEM-LBPRGKRZSA-N 381.436 2.890 0 40 GFAB O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339958 FICJFSKNWWWKGM-CHPZLBCBSA-N 386.473 2.590 0 40 GFAB O[C@H](COc1ccc2ccccc2c1)CSc1nnnn1C[C@@H]1CCCO1 52816340 ZGUURVUPQCGURP-AEFFLSMTSA-N 386.477 2.537 0 40 GFAB CCN(CC)C(=O)CN1CCN(C(=O)c2sc3ccc(F)cc3c2C)CC1 52983710 DETGXRFLBGVQBY-UHFFFAOYSA-N 391.512 2.975 0 40 GFAB Cc1cc(CN2CCN([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)no1 22799927 PDWURFDLUOKLGP-NRFANRHFSA-N 382.508 2.854 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1OC 2628268 NSCXCGGIFVCCCT-JOCHJYFZSA-N 394.427 2.670 0 40 GFAB COc1cc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc(OC)c1 3385637 RHRRSADYDVBEIT-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3550774 YYBOFTCNKBQMNK-UHFFFAOYSA-N 392.506 2.842 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n2cc(C)ccc2n1 4503734 JHIKBBHCFZXVJC-UHFFFAOYSA-N 390.852 2.791 0 40 GFAB COc1cccc(CNC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)c1 4540664 RHAOPVZFSVPKLY-UHFFFAOYSA-N 397.427 2.986 0 40 GFAB biogenic CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O 4899422 IZPLXRUAUHMTGJ-HOTGVXAUSA-N 396.509 2.650 0 40 GFAB NC(=O)C1CCN(Cn2nc(-c3ccco3)n(-c3ccccc3)c2=S)CC1 4936652 LDEJXWKQKKPNPM-UHFFFAOYSA-N 383.477 2.818 0 40 GFAB CN(C)[C@H](CNC(=O)CSc1n[nH]c2nc3ccccc3n12)c1ccccc1 5893507 RTYDLVPMTVYVKR-QGZVFWFLSA-N 394.504 2.722 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCc1nc2ccsc2c(=O)[nH]1 6619050 VPXDCYRLMNXDTF-UHFFFAOYSA-N 386.462 2.570 0 40 GFAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 6759811 BFGFHFHYJJEWTJ-BMQTXXJKSA-N 398.846 2.531 0 40 GFAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 7310753 VLCMQYHWUXQXSI-UHFFFAOYSA-N 378.450 2.597 0 40 GFAB Cc1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C1CC1 7617350 IUHOUDSYGHISSW-UHFFFAOYSA-N 392.282 2.984 0 40 GFAB COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 7990183 LJUVFYZIYHYSMS-ZDUSSCGKSA-N 397.460 2.993 0 40 GFAB COc1cccc(CN(C)Cc2nc(N)nc(Nc3ccccc3OC)n2)c1 9157853 YCCSKQPKIBCFSJ-UHFFFAOYSA-N 380.452 2.847 0 40 GFAB C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)NC(=O)NC(C)(C)C 11380808 OZHFDQXGBOEXGF-GFCCVEGCSA-N 394.545 2.708 0 40 GFAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)nc3c2CCC3)nc1C 12016846 FMINCLFQTHAXME-UHFFFAOYSA-N 392.506 2.946 0 40 GFAB CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)c1cnsc1 12182491 NBFQKKPVXVYGKZ-OAHLLOKOSA-N 384.461 2.584 0 40 GFAB COC(=O)Cn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O 12324684 LNBCGPMGSPKWAS-UHFFFAOYSA-N 385.420 2.685 0 40 GFAB COc1cccc(CC(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)c1 12365724 RCRIDYWKEFNZPD-LJQANCHMSA-N 387.505 2.810 0 40 GFAB COc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCOCC2)cc1 12437917 RJNRRTRCYTUTDF-UHFFFAOYSA-N 384.457 2.913 0 40 GFAB C[C@H]1CN(C(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)C[C@@H](C)O1 12644389 BOCVOJJPNBBAQJ-TUAOUCFPSA-N 391.449 2.582 0 40 GFAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)N1CCCCC1 12707507 DBQBVZZDSCGOCO-UHFFFAOYSA-N 386.521 2.567 0 40 GFAB COc1ccc(C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)N1CCCC1 14125087 HHAUGYKUAJRMCT-UHFFFAOYSA-N 394.518 2.813 0 40 GFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 14268300 RLCHCJQGFJLMNQ-UHFFFAOYSA-N 377.379 2.922 0 40 GFAB O=C(NCc1ccccc1)[C@H](c1ccco1)N(C(=O)c1csnn1)C1CC1 15935831 HWTBPYMIIOTMRO-KRWDZBQOSA-N 382.445 2.793 0 40 GFAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)cc1 16954808 JOIMYKSYXXVYFN-ZDUSSCGKSA-N 379.372 2.994 0 40 GFAB COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccccc2)cc1 19285410 RTCXDCGVCIAIQW-FQEVSTJZSA-N 377.444 2.730 0 40 GFAB COc1ccccc1N1C[C@H](NC(=O)[C@@H](C)n2c(C)nc3ccccc32)CC1=O 19286675 LFIBFAABBNVWTF-GDBMZVCRSA-N 392.459 2.836 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19496185 SWTORYLTRKSDLV-MJGOQNOKSA-N 399.535 2.681 0 40 GFAB O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccc(-n2cnnn2)cc1 19654989 WZHNAZQOEOHDHB-FQEVSTJZSA-N 376.464 2.619 0 40 GFAB CN(C)CC[C@@H](NS(=O)(=O)c1ccc2oc(O)nc2c1)c1ccccc1 19716053 ACFGLIWSUFGLPG-OAHLLOKOSA-N 375.450 2.505 0 40 GFAB COCCN1CCn2c(nc3cc(NC(=O)COc4cccc(C)c4)ccc32)C1 20442565 VODYTEUSXPICMD-UHFFFAOYSA-N 394.475 2.824 0 40 GFAB CCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 21555589 KMGPOYGUKPMLGX-UHFFFAOYSA-N 393.553 2.991 0 40 GFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cncc(Br)c1 22462230 MDIQSZIFUQKUAU-UHFFFAOYSA-N 382.302 2.609 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22539357 SMGCUNOTPMFIHC-KBPBESRZSA-N 394.468 2.687 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 23269335 QHLCUPKIOCIKDT-UHFFFAOYSA-N 377.872 2.895 0 40 GFAB C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)n1cncn1 24576334 NIJVLSHFOFMHLG-RUMSDORHSA-N 397.460 2.890 0 40 GFAB Cn1ccnc1[C@@H](NC(=O)COC(=O)c1cc(F)cc(F)c1)c1ccccc1 28943435 WWBVSJSGHUJHAS-SFHVURJKSA-N 385.370 2.761 0 40 GFAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 29837056 YNVZFQMZZBVFBO-UHFFFAOYSA-N 386.358 2.546 0 40 GFAB CSc1cccc(N2C[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)c1 32995833 YTIUQGZZULVTRG-GDBMZVCRSA-N 398.484 2.718 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1Cl 36133419 YIRGTHCOYQQAHE-UHFFFAOYSA-N 385.854 2.939 0 40 GFAB CS(=O)(=O)N1CC[C@H](C(=O)N2CCCCCC2)Oc2ccc(Cl)cc21 38835850 LVWBEEVJCJZVSK-MRXNPFEDSA-N 386.901 2.660 0 40 GFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(F)cc2)c1 40068685 XKXJDICCDBZVPI-UHFFFAOYSA-N 379.457 2.512 0 40 GFAB O=C(CCOc1ccc(Cl)cc1)NCc1ccnc(N2CCOCC2)c1 40107435 UJKUXQMNBGIPGR-UHFFFAOYSA-N 375.856 2.657 0 40 GFAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc2cccnc12 41328776 OPJIXKLPYDZXDH-UHFFFAOYSA-N 378.451 2.926 0 40 GFAB O=C(c1cccc(CN2CCOCC2)c1)N1CCN(c2ccccc2F)CC1 44900363 UKKCZQXYAIDRSZ-UHFFFAOYSA-N 383.467 2.620 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1C(=O)O 55584851 CGFNVOXMHGZRAQ-UHFFFAOYSA-N 383.372 2.813 0 40 GFAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc3c2OCO3)NC(=S)N1 56044343 XCISWWZELJJHMZ-MRXNPFEDSA-N 385.420 2.986 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2cc(C)[nH]c2c1=O 57522000 QPFNRXQSCZHXEQ-UHFFFAOYSA-N 384.461 2.986 0 40 GFAB CC[C@@H](c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57669976 AQYDWJLLFQFFDZ-INIZCTEOSA-N 398.433 2.612 0 40 GFAB CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[C@H]1c1cnn(C)c1 60352839 DDQFVDRBNAZWLV-STQMWFEESA-N 377.242 2.883 0 40 GFAB CN(CC(=O)Nc1sccc1C(N)=O)c1ccc(Br)cc1F 64349731 SYXRGYUKUBFHHS-UHFFFAOYSA-N 386.246 2.824 0 40 GFAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)oc12 65612326 OPVIUBSWJDKMGC-MCIONIFRSA-N 382.482 2.836 0 40 GFAB COc1ccc(CC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1OC 70762393 KLWKZVOVXCCOOW-SFHVURJKSA-N 383.366 2.813 0 40 GFAB COC(=O)c1ccsc1NC(=O)C(=O)NCCc1c[nH]c2cccc(C)c12 72305054 GZFXKTSMMYILHS-UHFFFAOYSA-N 385.445 2.622 0 40 GFAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)CO)c1 84640018 OCBZLFNAZQUJJC-HNNXBMFYSA-N 395.459 2.915 0 40 GFAB CCc1noc2ncc(S(=O)(=O)NC[C@H](C[C@H](C)O)c3ccccc3)cc12 95940994 ISFCRJVWQAKMML-ZFWWWQNUSA-N 389.477 2.618 0 40 GFAB Cn1cc(C(=O)NC2CCN(C(=O)c3ccccc3OC3CCCC3)CC2)cn1 95956656 ZSZLYENYVDRMKH-UHFFFAOYSA-N 396.491 2.776 0 40 GFAB CN1C[C@H]2C3(CCN(Cc4nccs4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036301 BGIIIXVMHRUEJJ-LAUBAEHRSA-N 388.581 2.690 0 40 GFAB O=C(CCc1ccc2c(c1)CCO2)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 96220921 MMTNHOVIOHMMNR-IBGZPJMESA-N 378.428 2.848 0 40 GFAB biogenic O=C(Nc1ccc(F)cc1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96260918 UTGDHLJUZFPESR-KRWDZBQOSA-N 375.444 2.994 0 40 GFAB CN(Cc1ccco1)C(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1 96837218 RPVYVBTWXKKOLK-UHFFFAOYSA-N 379.863 2.848 0 40 GFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)C4[C@H]5CCCC[C@H]45)[C@H]3C2)cc1 100214511 KSNKIAWTWOYTQJ-RFZNHBKKSA-N 388.533 2.556 0 40 GFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(F)cc4Cl)[C@H]3C2=O)cc1 101167074 PRSJIFVAKDZPGC-JKSUJKDBSA-N 388.786 2.981 0 40 GFAB CCc1ccccc1N1C(=O)C[C@H](N2CCc3cc(OC)c(OC)cc3C2)C1=O 102332046 IVMHWXMGOKPYMA-IBGZPJMESA-N 394.471 2.956 0 40 GFAB O=c1nc2n(c(O)c1[C@H]1NCCc3c1[nH]c1ccc(Cl)cc31)CCCS2 102709383 LAMXUDKHVPXHAY-OAHLLOKOSA-N 388.880 2.815 0 40 GFAB CCOC(=O)CCC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207013427 YTUDNLSJJIOBOL-ZDUSSCGKSA-N 377.466 2.923 0 40 GFAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 220130236 AEGGCUHPENBDCZ-AWEZNQCLSA-N 390.461 2.559 0 40 GFAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cnc2sccn2c1=O 223036235 YRHGIRNSNHEFOQ-UHFFFAOYSA-N 399.863 2.800 0 40 GFAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC 223060278 AZMWTZUWKVVUFU-GOSISDBHSA-N 384.476 2.936 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223604113 DDRZQSCUHUEVLP-OALUTQOASA-N 379.489 2.622 0 40 GFAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223614264 BCFNLZKCHRSUCW-MOPGFXCFSA-N 388.537 2.501 0 40 GFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C)cc3)n2)c(OC)c1 223760163 HCLRORAPUIPIGI-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)NCC[C@@H](O)c1cccc(Cl)c1 225611831 MCEXHKUSIKIPEY-GFCCVEGCSA-N 389.882 2.590 0 40 GFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225677830 CNCDJBOFKQCZSE-SNVBAGLBSA-N 380.495 2.663 0 40 GFAB O=C(COc1ccc(Cl)cc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792297 QWOFWXOCYHFEIZ-UHFFFAOYSA-N 386.883 2.736 0 40 GFAB Cc1cccc(CNC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 225948308 DSKBFJLPDKDKFQ-QGZVFWFLSA-N 380.897 2.945 0 40 GFAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 226072029 MRGWQQVAEFKEEX-UHFFFAOYSA-N 388.489 2.759 0 40 GFAB CN(C)CCCN1CNC2=N[C@@H]([C@@H]3CC=CCC3)n3c(nc4ccccc43)N2C1 226313276 ORVHXKLXMVAFGK-YLJYHZDGSA-N 393.539 2.839 0 40 GFAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 229941187 GSMHWGACMCKVET-FZONSQQESA-N 392.455 2.767 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)CC1 257240766 HVCLOKCJOGITFV-BRWVUGGUSA-N 379.526 2.764 0 40 GFAB CN1C(=O)C2(CCN(C(=O)CN3CCCCC3)CC2)C[C@@H]1Cc1ccccc1 257257461 KPQYKZHHWNGCBU-FQEVSTJZSA-N 383.536 2.555 0 40 GFAB Cc1ncncc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 257261935 LJJFWGWJCJNXAW-SHTZXODSSA-N 378.436 2.934 0 40 GFAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CN(C)C)CC1 257270980 MWJZZHQOAQKWJL-UHFFFAOYSA-N 399.560 2.874 0 40 GFAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306140319 UPRKFLVGQDOYPL-CABCVRRESA-N 385.899 2.518 0 40 GFAB Cn1ccc(C(=O)N2CCC(c3nnc4ccc(-c5ccccc5)nn34)CC2)n1 306142240 WUGKIPWKFIHFOM-UHFFFAOYSA-N 387.447 2.545 0 40 GFAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408601466 BAKMJJCPVPPEID-MRXNPFEDSA-N 382.526 2.791 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 409201587 WOSUKLNJSVXAIM-ZDUSSCGKSA-N 380.441 2.920 0 40 GFAB COc1ccc(CC(=O)N2CC(=O)Nc3ccccc3C2)cc1OC(F)F 529512275 JPGDHXFXQNSVAC-UHFFFAOYSA-N 376.359 2.820 0 40 GFAB C[C@@H](NC(=O)N(C)C1CCN(c2cnccn2)CC1)c1ccc2n[nH]cc2c1 578092153 OVLWVJLLDHRVLM-CQSZACIVSA-N 379.468 2.724 0 40 GFAB Cc1ccc(C)c(CN2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c1 583618325 NZGBHJZAHDSOHE-HXUWFJFHSA-N 396.535 2.658 0 40 GFAB O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CC[C@H](Oc2nccs2)C1 585320782 ROMGNOUGGIRABB-ZFWWWQNUSA-N 384.461 2.933 0 40 GFAB O=c1cc(C(F)F)ncn1CC1CCN(c2cc3c(nn2)CCSC3)CC1 585637257 DARSLEVNAPIFTA-UHFFFAOYSA-N 393.463 2.677 0 40 GFAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)CCCn3cncn3)C2)N1C 643574257 LQQDBOSULDTSPI-UXHICEINSA-N 396.539 2.674 0 40 GFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C](C3=CC(=O)OC3)CC[C@]12O 1560406100 RGDIIZKQCSBADB-SYXADMTQSA-N 389.512 2.533 0 40 GFAB O=C(CCc1ccccc1)N[C@H]1CCC12CCN(C(=O)CC1(O)CCC1)CC2 1565553464 AKVQJXZZOJPOSR-IBGZPJMESA-N 384.520 2.812 0 40 GFAB CN(CCN(C)C(=O)C1(c2ccccc2)CC1)C(=O)c1cccc2oc(O)nc12 1615611339 KIUOQBRWHPUURD-UHFFFAOYSA-N 393.443 2.796 0 40 GFAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1 1888921868 JRHSSPTZGBNWGR-UHFFFAOYSA-N 387.480 2.871 0 40 GFAB Cc1cc(N(C)C)nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1 1889125002 IMEQWSMENXDQOL-UHFFFAOYSA-N 384.381 2.731 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(c4ncnc5ccsc45)CC3)ncn2)n1 1889217912 LFXAHFKPXDJKGW-UHFFFAOYSA-N 392.492 2.610 0 40 GFAB O=C(c1cscn1)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840414 MBSRCGJJOXGKQE-LJQANCHMSA-N 389.452 2.711 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912210 GWIMAKAVBBHQEY-OAQYLSRUSA-N 387.407 2.991 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 667160 BNERUOZYFXGDCR-UHFFFAOYSA-N 386.517 2.891 0 40 GFAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)Cc2ccc(Cl)cc2)cc1 25061505 PQHQBLYXRHTGDK-UHFFFAOYSA-N 397.880 2.755 0 40 GFAB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)O)cc2)c1 6680428 YPMQRXVKEZHHGK-UHFFFAOYSA-N 382.463 2.729 0 40 GFAB CCOC(=O)[C@@H]1CC(=O)[C@@H](c2cccc(Cl)c2N2CCN(C(C)=O)CC2)C1 57328098 IXOLELMXQSNFFS-GOEBONIOSA-N 392.883 2.634 0 40 GFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2C(N)=O)cc1 8157375 YKNHBQDBFDPYDE-LBPRGKRZSA-N 386.477 2.875 0 40 GFAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccco1)N1CCCC1 12599083 BXSPEHCIFPNZJI-IBGZPJMESA-N 381.476 2.902 0 40 GFAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2=NCCS2)c1 12526082 QVIQYNCAIGNHKT-UHFFFAOYSA-N 389.502 2.937 0 40 GFAB O=C(Nn1cnc2ccccc21)c1ccccc1S[C@H]1CCS(=O)(=O)C1 27042082 LDNPQSYGUPKQAP-ZDUSSCGKSA-N 387.486 2.699 0 40 GFAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1S(N)(=O)=O 22192841 UGCXFRFYEUVGBR-UHFFFAOYSA-N 396.472 2.569 0 40 GFAB COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 20150678 OMVZTPFBLLHGGN-FOUBCARRSA-N 396.418 2.516 0 40 GFAB COC(=O)c1ccc(OC)cc1OCC(=O)N1CCCc2cc(OC)ccc21 10902628 DWGSIGFFEGIBMD-UHFFFAOYSA-N 385.416 2.849 0 40 GFAB COc1cc([C@@H]2NC(=O)c3oc4ccc(C)cc4c(=O)c32)cc(OC)c1OC 2351395 YKLJLWRDIJVNSS-KRWDZBQOSA-N 381.384 2.960 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)cc2F)C[C@@H](C)O1 46069085 DKPAXGFBBYDTEP-TTZDDIAXSA-N 377.460 2.540 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)NCCCN2CCc3ccccc3C2)c1 29840040 XEZMSEHYTUZQAT-UHFFFAOYSA-N 379.504 2.598 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 102590044 XWOIEBCMEHRJBZ-CPCNMJHFSA-N 391.254 2.985 0 40 GFAB O=c1c2ccccc2nnn1Cc1nnc(-c2ccccc2Br)o1 2659202 VEUPAWAZFDYFEE-UHFFFAOYSA-N 384.193 2.652 0 40 GFAB CCc1nn2c(O)cc([C@@H]3CC(=O)N(C)C3)nc2c1-c1ccc(OC)c(OC)c1 100775941 OFWBFJVAKJNGLS-CYBMUJFWSA-N 396.447 2.627 0 40 GFAB C[C@H]1C[C@@H](C)CN(C(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)C1 12623407 ZFDPSBUMXCYFJJ-TXEJJXNPSA-N 376.881 2.750 0 40 GFAB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)Nc1ccc2c(c1)OC(F)(F)O2 101325773 MINNPQRPEVZPEU-QWRGUYRKSA-N 395.358 2.885 0 40 GFAB CSc1cccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)c1 12728529 HXACWUWSRUOWBX-UHFFFAOYSA-N 386.473 2.898 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 12799820 WTMLQVWNFIVARU-IRXDYDNUSA-N 382.460 2.704 0 40 GFAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12796802 GWJPQNIKFCCYNS-CQSZACIVSA-N 388.489 2.898 0 40 GFAB COc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1Cl 3463849 CNOYNZCLTDDSRO-UHFFFAOYSA-N 386.791 2.986 0 40 GFAB Cc1ccc(-c2noc(COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 12914110 JUHNEZPDRZNQRL-HNNXBMFYSA-N 381.388 2.730 0 40 GFAB CC(C)(C)c1noc(CN2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)n1 12904470 DRCOYSRYHZEJLD-UHFFFAOYSA-N 394.422 2.927 0 40 GFAB Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 22519151 VYUJCRYNZSAUEO-OAHLLOKOSA-N 378.469 2.913 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2n[nH]c(Cc3ccc(OC)cc3)n2)c1C 96118101 KTTNPDUXPBSQOL-UHFFFAOYSA-N 397.435 2.778 0 40 GFAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1ccc2nccnc2c1 13655599 GDZVIXAMVSPLRZ-DHDCSXOGSA-N 380.385 2.898 0 40 GFAB O=C(O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 5055097 RCQGXBJJYCUPHF-NVNXTCNLSA-N 393.226 2.965 0 40 GFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 4477150 SNHJBACTPZXMBJ-HXUWFJFHSA-N 385.851 2.814 0 40 GFAB CC[C@H](NS(=O)(=O)c1ccc(CNC(C)=O)cc1)c1ccc(OC)cc1 14228838 JJFXRVIAHNBDNQ-IBGZPJMESA-N 376.478 2.761 0 40 GFAB C[C@@H]1CN(CCCNCc2cc(Br)c3c(c2)OCO3)C[C@@H](C)O1 84706296 KNXFKNMYFLEONC-CHWSQXEVSA-N 385.302 2.767 0 40 GFAB Cc1nn2c(ncc3c(=O)n(-c4nc[nH]n4)ccc32)c1-c1ccc(Cl)cc1 19821289 OBFOZWAOWPQSJK-UHFFFAOYSA-N 377.795 2.780 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(Cn2cnc3ccsc3c2=O)n1 14809843 SAUDXPSQSOSSHU-UHFFFAOYSA-N 379.449 2.580 0 40 GFAB COCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(N2CCCC2)n1 67257039 IWMHTGUGIPORIP-UHFFFAOYSA-N 384.480 2.752 0 40 GFAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)CN2CCCC2=O)c(C(F)(F)F)c1 71808665 DCELUAMFMGPKHK-SNVBAGLBSA-N 386.374 2.796 0 40 GFAB Cc1nc(-c2ccccc2)n(CC(=O)NCCC2=CCCCC2)c(=O)c1CCO 67300186 IJUHCKAUNDTBRL-UHFFFAOYSA-N 395.503 2.760 0 40 GFAB C[C@H](OC(=O)c1cc(Br)c[nH]1)C(=O)N1CCc2ccccc2C1 15496814 RONXSYYTCNNSHZ-NSHDSACASA-N 377.238 2.907 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)OCN3C(=O)c4ccccc4C3=O)c2O1 7737393 VPLXNNARXJWELS-UHFFFAOYSA-N 381.384 2.576 0 40 GFAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccccc1Br 8326448 MDZARZWDXDEMQA-UHFFFAOYSA-N 379.210 2.574 0 40 GFAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N(C)C 8429002 OJQZDNHPBYKKGM-CHWSQXEVSA-N 396.488 2.772 0 40 GFAB COc1ccccc1CNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8478618 LEAUMDSRFGDKKD-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(F)c(Cl)c1 8739130 FYDGGDKBDKXFEE-UHFFFAOYSA-N 376.775 2.586 0 40 GFAB CC(C)(C)Nc1nnc(SCC(=O)NC(=O)NCc2ccccc2)s1 8941756 NZXSZZYCVRAARF-UHFFFAOYSA-N 379.511 2.867 0 40 GFAB CN(CC(=O)NCCOc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 25116774 QRBBLGBWXIRNDU-UHFFFAOYSA-N 398.484 2.656 0 40 GFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-n2ccnc2)nc1 24978250 WIAJNKHKTIFYMJ-UHFFFAOYSA-N 378.392 2.963 0 40 GFAB COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)c1 28466960 FBIWEBDTUSGSDW-RLFYNMQTSA-N 394.349 2.799 0 40 GFAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207495 WHRKHGMRJSGMSF-UHFFFAOYSA-N 392.477 2.580 0 40 GFAB CCN(CC(=O)O)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 547907672 BCTBSQPWMFZOIN-UHFFFAOYSA-N 379.278 2.819 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1c(F)cccc1F 408561860 WEAQOZSPUIJOOX-LLVKDONJSA-N 384.404 2.587 0 40 GFAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1nnc(O)c3ccccc13)CC2 524733612 YPQAZXHGAAIKNA-INIZCTEOSA-N 379.416 2.699 0 40 GFAB CC(C)Oc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 216364109 ICFYDIRPIUBDJR-UHFFFAOYSA-N 394.468 2.695 0 40 GFAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)cc1OC 72227276 CHECZOLRODREAC-HZPDHXFCSA-N 377.238 2.882 0 40 GFAB O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@H](N2CCCC2=O)CC1 566665225 ACYJXUVGQMOPKZ-FQEVSTJZSA-N 399.535 2.921 0 40 GFAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 527750875 WJKZWJDYJDPPQE-HUUCEWRRSA-N 378.425 2.614 0 40 GFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cc(-c2ccco2)n[nH]1 225735317 SEMDEDFGGQNILV-UHFFFAOYSA-N 392.463 2.737 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 224047197 WUOHAHYSZYPDEE-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB Cc1ccccc1N(CC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223909335 FPMVCODJQLKGSA-UHFFFAOYSA-N 390.505 2.573 0 40 GFAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1 220172172 JQWSYTJVQTZLMY-NSHDSACASA-N 384.404 2.767 0 40 GFAB CCc1ccc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 224082228 NJHDMPWINQRGDI-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 223618490 OXPKBHCGLJOJMZ-UHFFFAOYSA-N 380.897 2.773 0 40 GFAB CCCNS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC 222920744 JEJUTTKRISDSFS-AWEZNQCLSA-N 388.489 2.975 0 40 GFAB COc1ccc([C@H](CC(=O)N2c3ccccc3C[C@@H]2C)NS(C)(=O)=O)cc1 225953062 DQVQQJUSXICAHR-KSSFIOAISA-N 388.489 2.653 0 40 GFAB CSc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1NC(C)=O 224725098 YMGRBMZFKJFJSV-UHFFFAOYSA-N 399.582 2.911 0 40 GFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 142710020 RLUHHNNIXPYQED-CYBMUJFWSA-N 392.477 2.591 0 40 GFAB CCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)/C=C/c1ccc(C)cc1 96137257 INHFAWKMXWMDHS-ZHACJKMWSA-N 380.491 2.617 0 40 GFAB CC(C)NC(=O)N1CCc2cc(C(=O)N3CCCC3)c(NC(C)C)nc2CC1 96260485 RVGLZKPBAUNTHM-UHFFFAOYSA-N 387.528 2.657 0 40 GFAB CC(C)n1c(C(=O)N2CCCN(C)CC2)nc2c1CCN(Cc1ccccc1)C2 96147132 ZRSKGSJAJKSYHW-UHFFFAOYSA-N 395.551 2.800 0 40 GFAB Clc1cc(CN2CCCc3n[nH]cc32)ccc1OCCN1CCOCC1 585085061 YEEXIBKAXQWJAY-UHFFFAOYSA-N 376.888 2.727 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCN(CC(F)(F)F)C(=O)C3)n[nH]2)cc1C 585082129 LYVRPOZIFAWNRB-UHFFFAOYSA-N 380.370 2.540 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ncccc1F 249695826 ROEUYUBQROEGCE-OAHLLOKOSA-N 386.489 2.601 0 40 GFAB C=Cn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](CO)C4)nc2C3)c(C)n1 257367423 PLINIUFTLNQOBE-MDKPJZGXSA-N 394.523 2.553 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3cccnn3)CC2)ncn1 257302535 SDGAXQFVMBHDQZ-UHFFFAOYSA-N 378.436 2.633 0 40 GFAB Cc1ncsc1CN1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257242406 ICIHNJVDWPGWFF-AWEZNQCLSA-N 384.509 2.576 0 40 GFAB C[C@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CCN1C 630192433 XIDCHLVRMSDJLM-JSGCOSHPSA-N 383.286 2.593 0 40 GFAB CCc1noc(COC2CN(C(=O)Nc3cnc(-c4ccccc4)nc3)C2)n1 643711041 FCHIRVYIYUPLQJ-UHFFFAOYSA-N 380.408 2.522 0 40 GFAB CCS(=O)(=O)c1cccc(C(=O)N2CCNC[C@H]2c2ccccc2Cl)c1 644131268 XARXWOSMVKTHLJ-SFHVURJKSA-N 392.908 2.920 0 40 GFAB COCC(C)(C)N1CCN([C@H](C(=O)O)c2ccccc2Br)CC1 659787292 DLLCAGGOYKLAMH-HNNXBMFYSA-N 385.302 2.617 0 40 GFAB COc1ccc([C@@H]2C[C@H]2CC(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 666036572 SIZJSGBOIAMUKM-HKUYNNGSSA-N 379.460 2.568 0 40 GFAB COc1ccc(CNC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96381054 XBHWAQNCAIOFFY-UHFFFAOYSA-N 394.880 2.716 0 40 GFAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575421026 HKHIOQQQLYHIMM-YOEHRIQHSA-N 381.519 2.816 0 40 GFAB Cc1ccccc1N1CCC(O)(CN2CC[C@]3(C)NC(=O)CCCC[C@H]23)CC1 585282950 KHFFIJLQADHOPL-UNMCSNQZSA-N 385.552 2.850 0 40 GFAB CN1C(=O)c2ccc(C(=O)N3CCC(COc4ccccc4)CC3)cc2C1=O 55424099 VTFUFCZWYIBSTO-UHFFFAOYSA-N 378.428 2.844 0 40 GFAB CCOc1ccc(C(=O)NCC(=O)N(CC)Cc2ccc3c(c2)OCO3)cc1 57897166 KFSYLQGHHDFJOP-UHFFFAOYSA-N 384.432 2.593 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615155284 KPZRZBBOWCKWPN-NRFANRHFSA-N 386.471 2.574 0 40 GFAB COc1cccc(/C=C(/C#N)C(=O)N(C)C)c1OCc1ccc(C(=O)O)cc1 8091080 JVCGZDBEBSPGBD-BOPFTXTBSA-N 380.400 2.968 0 40 GFAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1cccc2ccccc12 5240719 KIXVQMSIJMWKCO-INIZCTEOSA-N 392.411 2.963 0 40 GFAB COc1ccc(C)cc1NC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O 12146795 UKJHGCCUVWRIKS-UHFFFAOYSA-N 382.420 2.658 0 40 GFAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12200007 LJSUCEOZVAOZQG-UHFFFAOYSA-N 394.836 2.803 0 40 GFAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cc1ccncc1)c1ccccc1O2 12222460 KVDLIDFPOZIGLN-GCJKJVERSA-N 379.460 2.645 0 40 GFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1ccc(C)cc1 12975232 QAHCXSAYPMUFNI-UHFFFAOYSA-N 384.432 2.632 0 40 GFAB COc1ccc(Cl)cc1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 15718393 OHIVGKNWNBSZMW-UHFFFAOYSA-N 394.880 2.802 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OC 16681825 BZXNXFOESAVJJR-UHFFFAOYSA-N 378.450 2.563 0 40 GFAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)c4ccccn4)[C@H]23)cc1 19019325 HQHLVCMFUFIIDL-HMXCVIKNSA-N 379.460 2.709 0 40 GFAB COc1ccccc1N1C[C@@H](NC(=O)[C@H](C)n2c(C)nc3ccccc32)CC1=O 19286678 LFIBFAABBNVWTF-HOCLYGCPSA-N 392.459 2.836 0 40 GFAB CCN(Cc1ccccc1)C1CCN(Cc2cnc(N3CCOCC3)nc2)CC1 19526650 QHFJWDGJRXAGAT-UHFFFAOYSA-N 395.551 2.800 0 40 GFAB CCOC(=O)c1cc(CC)sc1NC(=O)Cn1nnc(-c2ccccc2)n1 4549228 YDAGNYCSONSSGK-UHFFFAOYSA-N 385.449 2.779 0 40 GFAB NS(=O)(=O)c1cc(C(=O)OCc2ncc(-c3ccccc3)o2)ccc1Cl 6607572 CVHVREZTBCLHBX-UHFFFAOYSA-N 392.820 2.999 0 40 GFAB COc1ccc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)cc1F 1888900844 PUYYNXKTWPWXIF-UHFFFAOYSA-N 384.411 2.808 0 40 GFAB COCc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 1148444847 XDPWFIOFXZGCFO-UHFFFAOYSA-N 394.471 2.871 0 40 GFAB Cc1cccc(CS(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1 240122360 VXBSJWJSMYTAKR-SFHVURJKSA-N 380.535 2.798 0 40 GFAB COc1cncc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037988991 QJNIYQRUOLZVJZ-NRFANRHFSA-N 385.439 2.627 0 40 GFAB O=C(Cc1cn[nH]c1)NC[C@@H]1CCC2(CCN(CC3CCCCC3)CC2)CO1 2056225337 LNUDRMVRDXHXQH-FQEVSTJZSA-N 388.556 2.910 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CCC2)c(C)cc1Cl 2056225430 WDBFKOCYEGPFDG-ACJLOTCBSA-N 382.913 2.779 0 40 GFAB COc1ccccc1OCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 5075952 LOMKCRPRFGZVJJ-UHFFFAOYSA-N 390.461 2.561 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1cccc(O)c1 12323036 JYGCZIMJNXGDIO-HXUWFJFHSA-N 379.416 2.983 0 40 GFAB COc1cc(OC)cc(C(=O)NCCCn2nc(-c3ccccc3)ccc2=O)c1 13795616 QDHCQRKCHQOHIY-UHFFFAOYSA-N 393.443 2.748 0 40 GFAB CCn1/c(=N\C(=O)CS(=O)(=O)c2ccccc2)sc2cccc(OC)c21 101037338 ZTTIICUFHXUACO-VHEBQXMUSA-N 390.486 2.633 0 40 GFAB COc1cccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c1OC 36699924 PEAVMGVLKYBTQO-HXUWFJFHSA-N 384.476 2.897 0 40 GFAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220754777 XLKZFAYRKPLPBX-QWHCGFSZSA-N 378.473 2.641 0 40 GFAB O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38728545 LYWNOZJKHCQZKL-RBUKOAKNSA-N 388.471 2.511 0 40 GFAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF 6032442 ASXVEBPEZMSPHB-CRAIPNDOSA-N 386.423 2.567 0 40 GFAB COc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2cc(F)ccc2N1 9761980 AOHJRPOSQQZXOI-UHFFFAOYSA-N 395.437 2.676 0 40 GFAB CCn1c(Cc2ccccc2)nnc1SCCCN1C(=O)NC(C)(C)C1=O 40089638 PKNLXILNVMVOEL-UHFFFAOYSA-N 387.509 2.701 0 40 GFAB CS(=O)(=O)Nc1ccsc1C(=O)NCc1ccccc1OC(F)F 40135217 LAATXOHHXUDINK-UHFFFAOYSA-N 376.406 2.651 0 40 GFAB CN(C)[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccs1 40160836 YJHYNAASYQETSP-CZUORRHYSA-N 375.519 2.970 0 40 GFAB Cc1cccc(N2C[C@H](C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)CC2=O)c1C 40155258 XSHXGCWYCNONCL-WIYYLYMNSA-N 393.487 2.602 0 40 GFAB CC(=O)N1C(=S)NC(=O)/C1=C/c1cc2ccccc2nc1N1CCCCC1 100709148 LGEPXVOGVIVNTO-ATVHPVEESA-N 380.473 2.829 0 40 GFAB Cn1cnc(S(=O)(=O)NCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1Cl 103088493 OJBMLHPJYUOOSN-ASNHAOSHSA-N 378.325 2.930 0 40 GFAB O=C(NC[C@@H](O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 53600701 YDSNGBVLCJNJRF-HXUWFJFHSA-N 391.471 2.976 0 40 GFAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)cc1 800485 LVABWDOJKBDBTQ-UHFFFAOYSA-N 378.425 2.628 0 40 GFAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1 23995075 ZOYYAUQAYJXWJY-UHFFFAOYSA-N 383.517 2.829 0 40 GFAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2)s1 24474372 MDVCQVGNIAZXNH-INIZCTEOSA-N 378.519 2.780 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 883469 WZETZSBWYXQHIN-UHFFFAOYSA-N 388.445 2.510 0 40 GFAB Cc1cc(C)c(NC(=O)Cn2nnc3c(cnn3-c3ccccc3)c2=O)c(C)c1 1344724 PTBBDAVDTYSOPW-UHFFFAOYSA-N 388.431 2.541 0 40 GFAB COc1ccccc1NC(=O)N(CCO)Cc1cc2cc(C)ccc2[nH]c1=O 1353002 YGJSCXDGTUZWHA-UHFFFAOYSA-N 381.432 2.872 0 40 GFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cn2cncn2)cc1 25075196 XWVRESILYKSVJP-UHFFFAOYSA-N 390.491 2.639 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 4812462 RALOPTKVLRYTAT-AEFFLSMTSA-N 381.819 2.972 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1OC 7323426 NRCMTRGBMPSHSD-UHFFFAOYSA-N 390.461 2.804 0 40 GFAB NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CC2)sc2c1CCC2 7489303 OOZCSQFWLOIOHL-UHFFFAOYSA-N 384.457 2.549 0 40 GFAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 7872008 QJCUEJIOAMWPIS-GFCCVEGCSA-N 384.860 2.950 0 40 GFAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCN(c2nccs2)CC1 10269609 QGOUNRLODWVDHX-UHFFFAOYSA-N 395.410 2.860 0 40 GFAB COc1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)cc(C(=O)O)c1OC 58495767 GCBASCRGQSPUCH-UHFFFAOYSA-N 397.836 2.807 0 40 GFAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)n1 57316390 DGAFRGVFKWOBFK-UHFFFAOYSA-N 376.486 2.635 0 40 GFAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)c1ccc(C)o1 57624575 VZBHSHAOJXBMSI-ZBFHGGJFSA-N 396.534 2.865 0 40 GFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2c1CCCC2 100466798 XIPKVCHJJFMJEA-OWVDYMSYSA-N 376.456 2.557 0 40 GFAB Cc1ccc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c(Cl)c1 59020654 UAUODMPSPRIQKL-UHFFFAOYSA-N 385.855 2.978 0 40 GFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12789503 YAJPSFKNHRHVLT-LJQANCHMSA-N 393.487 2.695 0 40 GFAB COCCN(CCOC)C(=O)COC(=O)c1sc2ccccc2c1Cl 3317283 DRCPQOHSTLEVBQ-UHFFFAOYSA-N 385.869 2.833 0 40 GFAB CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 12807210 OYOPBTMZCCWGPZ-GFCCVEGCSA-N 382.432 2.683 0 40 GFAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc12 22548933 NKEYRXKLXYPQDX-GOSISDBHSA-N 389.502 2.702 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2cccc(C)c2)c1 14230963 IFCVORYRCCPEID-UHFFFAOYSA-N 392.477 2.749 0 40 GFAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)c1cc2ccccc2o1 14313045 ZBBZNVPNTFTIEE-LBPRGKRZSA-N 378.475 2.992 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1F 6553048 HVLPPDGXLFINOV-GOSISDBHSA-N 394.406 2.717 0 40 GFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 14654382 RJDVIDUSRVQKCN-GFCCVEGCSA-N 382.869 2.996 0 40 GFAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc2c(c1)OCCO2 5787115 JKVYEDBWPRPYBC-UHFFFAOYSA-N 375.402 2.664 0 40 GFAB COCC(=O)N[C@H]1CCCC[C@@]12CN(Cc1cc(-c3ccccc3)on1)CCO2 306143297 XYBZVRCLZGGZAP-RBBKRZOGSA-N 399.491 2.618 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccnc2Cl)CC1 15175486 APCOTVLTEOZIHM-UHFFFAOYSA-N 387.823 2.955 0 40 GFAB Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccco3)c(=O)c21 67235675 IDJQGGHQKLWUPI-UHFFFAOYSA-N 396.834 2.965 0 40 GFAB CCCCc1ccc(NC(=O)Cn2c(N3CCCC3)nc(COC)cc2=O)cc1 67257026 MDWXRKXFHXOHMK-UHFFFAOYSA-N 398.507 2.971 0 40 GFAB O=S(=O)(c1ccc2c(c1)CCN2Cc1ccccc1Cl)N1CCOCC1 15401372 CVHJEYSRDQVSKZ-UHFFFAOYSA-N 392.908 2.924 0 40 GFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 15950006 FFCXKXQWPNTUKC-UHFFFAOYSA-N 382.851 2.847 0 40 GFAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)n1N 7781734 GNQZLZMWSKAGAO-INIZCTEOSA-N 383.477 2.846 0 40 GFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-n2cccn2)cc1 7737541 BQZBDXACLXHXIA-UHFFFAOYSA-N 378.432 2.982 0 40 GFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 8272391 QKXDWYOCWJBVQH-UHFFFAOYSA-N 395.440 2.754 0 40 GFAB CCN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O 409227840 RTYGKWZRUATYTH-SFQUDFHCSA-N 379.416 2.925 0 40 GFAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 84398038 XRNXUFPOCAKLBF-QGZVFWFLSA-N 384.407 2.518 0 40 GFAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCOCC4)ccn3n2)cc1 67262331 ARPHJROBXCEHJI-UHFFFAOYSA-N 394.475 2.535 0 40 GFAB CN(C)C(=O)C1(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C2CC2)CCCC1 95959112 KHPFAHTVIHFRCN-UHFFFAOYSA-N 399.470 2.662 0 40 GFAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(OC)c2)C1=O 409233043 JPOIDHSWVOCQPW-MDWZMJQESA-N 396.827 2.593 0 40 GFAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](C)CCc2ccccc2)cc1 29319615 CISCFVMJJDGENN-QGZVFWFLSA-N 389.521 2.594 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(F)cc1F 408559927 NMRNLCAKFCKPFK-LLVKDONJSA-N 384.404 2.587 0 40 GFAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2(c4cccc(F)c4)CCCC2)[C@@H]3C1=O 72346525 RISPHMWWMLWOKF-ISJRUSPKSA-N 398.478 2.902 0 40 GFAB CC(=O)c1cc(CCC(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)oc1C 32908050 GLQIHCVFIKIIHO-UHFFFAOYSA-N 382.413 2.873 0 40 GFAB Cc1c(C(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)nnn1-c1cnn(C)c1 562693987 PJKAPQWQEADCIM-UHFFFAOYSA-N 397.870 2.592 0 40 GFAB COc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)Cn2cccn2)C1 72363087 CKOUZHINPXTXOB-INIZCTEOSA-N 393.447 2.880 0 40 GFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1NS(C)(=O)=O 43523002 PBUOALINVZHUBJ-ZDUSSCGKSA-N 390.461 2.629 0 40 GFAB CCCSc1nnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)s1 223531513 AVXHFKBRUVRBKF-UHFFFAOYSA-N 375.497 2.858 0 40 GFAB COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223541067 ASFMZINBWBJEFX-NRFANRHFSA-N 384.476 2.938 0 40 GFAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 222915403 RSPGOESVMCYWCP-INIZCTEOSA-N 382.460 2.554 0 40 GFAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220699010 DCAFQPFVYPPMOP-CQSZACIVSA-N 382.395 2.604 0 40 GFAB O=C(COC1CCCC1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 40140476 VZEQMUXXUILLFJ-WJDWOHSUSA-N 392.452 2.937 0 40 GFAB CC(=O)Nc1cc(C(=O)Nc2ccc(N3CC[C@H](N(C)C)C3)cn2)ccc1C 533453287 VSKHIRHOPVTMJP-SFHVURJKSA-N 381.480 2.741 0 40 GFAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C(=O)c4ccccn4)C3)nc2c1 49168783 QQXHDVFYLCEVBU-ZDUSSCGKSA-N 385.445 2.646 0 40 GFAB biogenic,in-vitro CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 224005910 AYOBUICJQQDINW-OAHLLOKOSA-N 388.439 2.767 0 40 GFAB Cc1nc(CN2C(=O)COC3(CCN(Cc4ccco4)CC3)[C@@H]2C)cs1 96062273 NYMONVIKAMNINQ-AWEZNQCLSA-N 375.494 2.827 0 40 GFAB O=C(c1ccno1)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 96242627 LQTXYFPTRVPZES-UHFFFAOYSA-N 393.422 2.798 0 40 GFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)NCc1cccc2ccccc12 245227580 PLYFRCIGULBKGZ-KLVHLEODSA-N 386.451 2.509 0 40 GFAB CC(=O)N1[C@@H](CNC(=O)CCc2cccs2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257231057 GFARETWBIASNGZ-PHXBYCTMSA-N 378.538 2.728 0 40 GFAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N(C)Cc3ccccn3)cc2NC1=O 252491531 LNXJESMMPMIEGH-GOSISDBHSA-N 389.477 2.792 0 40 GFAB COCc1nc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)cs1 65042136 RUBMJZBUKSPYPX-UHFFFAOYSA-N 381.262 2.715 0 40 GFAB CCSCc1cc(C(=O)N[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)no1 597838750 GDZDPCGWQKGXCD-WBVHZDCISA-N 376.482 2.794 0 40 GFAB Cc1cc(C2(NC(=O)N=c3nc(-c4ccsc4)[nH]s3)CCOCC2)on1 626497908 DONZCLXJSNENNY-UHFFFAOYSA-N 391.478 2.812 0 40 GFAB C[C@@H](CO)N(C)S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 630095932 NLMIBSFBFHIYHV-VIFPVBQESA-N 380.413 2.830 0 40 GFAB O=S(=O)(NC[C@@H]1COc2ccccc2C1)c1c[nH]c2ncc(Cl)cc12 1666223664 QFOGFEHEYSEONT-LLVKDONJSA-N 377.853 2.746 0 40 GFAB COC(=O)C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC1 600101760 BLFYASDPKBUELA-CKEIUWERSA-N 385.382 2.874 0 40 GFAB C[C@H]1CC[C@@H](NC(=O)NCc2nc(-c3ccccc3F)cs2)CS1(=O)=O 664773688 HVBRYWKWSWFXOV-NWDGAFQWSA-N 397.497 2.714 0 40 GFAB COCCN(Cc1ccoc1)C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C 90612036 ZOXCMYAEYZDZGO-UHFFFAOYSA-N 399.447 2.986 0 40 GFAB CCOc1ccc(C(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)cc1 90607775 NBIKZQLHCDIAGO-UHFFFAOYSA-N 377.448 2.628 0 40 GFAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 585292851 SVKXFRQJOCIRPW-HCWHUNCVSA-N 394.523 3.403 0 40 GFAB Cc1cc(C)nc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585112391 PHNKXVPODUQINF-FQEVSTJZSA-N 376.460 2.987 0 40 GFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1ccc(F)cc1 585262388 KOWJYAAHSBVPCE-CGXNFDGLSA-N 384.451 2.601 0 40 GFAB COC(=O)c1cc(NC(=O)CCCNC(=O)c2cccs2)c(F)cc1F 31028273 VVSKCSZKXSPCEV-UHFFFAOYSA-N 382.388 2.962 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc2cccnc12 97014042 QQSRZNKWRJTDKK-MRXNPFEDSA-N 385.493 2.904 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188736 MSXKQTBDDDNNQP-ZDUSSCGKSA-N 393.896 2.946 0 40 GFAB CCOc1nc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)co1 681356906 PLMVIJWIDZIBNQ-LBPRGKRZSA-N 397.353 2.623 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974214 DIXYFWAZFSCXOA-UHFFFAOYSA-N 380.379 2.612 0 40 GFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1775968643 IVBLTCISVLFCCV-HNNXBMFYSA-N 388.420 2.613 0 40 GFAB CN1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 12529803 OEEKLLNSTUMASQ-HOTGVXAUSA-N 383.839 2.960 0 40 GFAB biogenic,in-vitro CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 14831598 KHAUXGGSEAOJGG-UHFFFAOYSA-N 377.491 2.584 0 40 GFAB Cc1cc2nc([C@H](C)NC(=O)[C@H](C)n3nc(C(F)F)cc3C)cc(O)n2n1 19129634 DXGSPNQCBLZSCR-QWRGUYRKSA-N 378.383 2.624 0 40 GFAB CCOc1ccc(Br)cc1C1N2CC3(C)CN1CC(C)(C2)C3O 19320163 MSSLMLZHXQVNIH-UHFFFAOYSA-N 381.314 2.865 0 40 GFAB biogenic CCC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19498975 NWOBLEQWUXOYBI-QHCPKHFHSA-N 393.487 2.577 0 40 GFAB Cc1nn(CCNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)c1C 19557231 QWORHWWGPACASO-UHFFFAOYSA-N 379.386 2.993 0 40 GFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19581450 XWSGQKKUKXVFSU-FQEVSTJZSA-N 393.466 2.957 0 40 GFAB O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)NCc1ccccn1 19656720 WWZVEBSYTZIRFV-UHFFFAOYSA-N 395.894 2.722 0 40 GFAB CO[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1C 227683218 LIHXQLJIMSHIEZ-VPWXQRGCSA-N 379.522 2.997 0 40 GFAB CCO[C@@H](CS(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1 625195336 ZRPRENNLQPUIDE-SFHVURJKSA-N 388.480 2.622 0 40 GFAB O=C(O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 668291018 CFKYGVJAFSWHOH-KFWWJZLASA-N 382.254 2.820 0 40 GFAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 5574522 FXVRTCVIGDJOCL-NSHDSACASA-N 396.852 2.896 0 40 GFAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)cc1I 30721743 NUHNQJZZGHTDSZ-CMPLNLGQSA-N 386.233 2.700 0 40 GFAB Cc1noc([C@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@@H]2c2ccccc2)n1 238910164 SDHUMWXADQBVQG-CVEARBPZSA-N 388.449 2.555 0 40 GFAB Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)c4ccc(O)nc4)C3)cn2)n1C 2037697434 YWVKHXGHKCSTES-QGZVFWFLSA-N 391.475 2.986 0 40 GFAB CO[C@H]1CCN(C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 1565523860 YWXPIHMIUSXXJG-AWEZNQCLSA-N 393.336 2.867 0 40 GFAB COc1ccc(CN2CC3(CCN(C(=O)CCc4ccc[nH]4)CC3)CC2=O)cc1 1565554134 KQZVBPRMPDTVLO-UHFFFAOYSA-N 395.503 2.997 0 40 GFAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc(F)cc1 4327105 KVZZIFODGOYOAF-UHFFFAOYSA-N 394.435 2.734 0 40 GFAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCC(C)C)CSC3)cc1 4941649 WQJMUHFHTRQVFL-UHFFFAOYSA-N 388.493 2.729 0 40 GFAB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C(N)=O)C1 5223105 ZGWXXUXWYGSCOU-SNVBAGLBSA-N 392.502 2.628 0 40 GFAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCc4ccccc4C3)cn2)cc1 13807166 ZTVLPAPFAXBVGF-UHFFFAOYSA-N 375.428 2.504 0 40 GFAB Fc1cccc(-c2ccc(N3CCN(Cc4nnc(C5CC5)o4)CC3)nn2)c1 1775976371 ZKODKJYAWWTRAA-UHFFFAOYSA-N 380.427 2.865 0 40 GFAB COCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(OC)cc1 101113711 OSANCOAAWAGPMV-PTGBLXJZSA-N 382.420 2.508 0 40 GFAB CN1c2cc(F)c(NC(=O)NCCCc3ccccc3)cc2N(C)S1(=O)=O 575613597 USXZSZJLUGVZFM-UHFFFAOYSA-N 392.456 2.711 0 40 GFAB CC(C)CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 585146939 URIOCLMKTRFUDP-ZDUSSCGKSA-N 397.921 2.703 0 40 GFAB O=c1nc(N2CCN(c3cccc(Cl)n3)CC2)cc(O)n1C1CCCCC1 100920986 XEQQOKMXQZETOT-UHFFFAOYSA-N 389.887 2.829 0 40 GFAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCCO2 42124882 JDCZOJBYYLIEDK-GFCCVEGCSA-N 385.372 2.761 0 40 GFAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1986381 IOQZQRMBYOPADV-FUHWJXTLSA-N 380.444 2.914 0 40 GFAB CN(C)C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 2628147 XXNAURVOTVSVTB-UHFFFAOYSA-N 396.472 2.902 0 40 GFAB O=C(CN1CCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 3470200 MIIJRRRAEOEFOS-UHFFFAOYSA-N 390.837 2.888 0 40 GFAB COC(=O)[C@](NC(=O)c1ccco1)(Nc1nc(C2CC2)cs1)C(F)(F)F 3616051 GTNAADLPOIZJDC-AWEZNQCLSA-N 389.355 2.887 0 40 GFAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCCc4ccccc43)cnc21 4479005 GFMVGPUAGQMNFO-UHFFFAOYSA-N 399.454 2.870 0 40 GFAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 4492978 ZJDYXBIFWFZBDI-CYBMUJFWSA-N 379.416 2.598 0 40 GFAB Cc1ccc(NC(=O)Cn2ccn(-c3ccc(F)cc3)c(=O)c2=O)c(Cl)c1 4570037 PVRWCYUVLJZABJ-UHFFFAOYSA-N 387.798 2.739 0 40 GFAB COc1ccc(CCNC(=O)c2cn(CCc3ccccc3)nn2)cc1OC 4986184 AQIYNDLNGOXCJI-UHFFFAOYSA-N 380.448 2.511 0 40 GFAB CCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 5015492 XUWPPCLLSHLXGY-UHFFFAOYSA-N 396.476 2.914 0 40 GFAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)NC1CCCC1 5359030 CFVJFQCLCOCNFK-UHFFFAOYSA-N 394.642 2.967 0 40 GFAB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 6561947 WNXHZIFSZWWLGL-XMHGGMMESA-N 394.475 2.985 0 40 GFAB CCCCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 6597084 NRFHWPDBVUDSDB-UHFFFAOYSA-N 377.304 2.522 0 40 GFAB CCc1nn2c(=O)cc(CSc3nnnn3-c3ccc(C)c(C)c3)nc2s1 6654301 STHHUSDQMCYTRA-UHFFFAOYSA-N 399.505 2.598 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CC1=O 6784910 RFXGTTBHVYPJIK-MRXNPFEDSA-N 395.459 2.523 0 40 GFAB Cc1cc(C)cc(OCCOC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 7091197 CRXMHQHPKNYCEN-UHFFFAOYSA-N 377.462 2.790 0 40 GFAB Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 8193619 HTESJAYATXUNBT-UHFFFAOYSA-N 377.466 2.964 0 40 GFAB Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1C 8605430 QWKQOOSUQCNKRQ-UHFFFAOYSA-N 385.445 2.767 0 40 GFAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8918803 LMAZZHRPXUQOOO-UHFFFAOYSA-N 378.538 2.835 0 40 GFAB O=C(COc1ccc(Br)cc1F)NCCc1cn2ccccc2n1 11534605 VHSYMPZLBFLWRH-UHFFFAOYSA-N 392.228 2.974 0 40 GFAB COCC(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 12222400 IGCPXHIPWGRCPW-UHFFFAOYSA-N 377.448 2.534 0 40 GFAB CCN1CCC2(CC1)CN(C(=O)c1cnc(C)cn1)Cc1cc(C)ccc1O2 12365230 ARKJCMXYOBFKGC-UHFFFAOYSA-N 380.492 2.983 0 40 GFAB CCCCNC1=NN=C(c2ccc3c(c2)CCCN3S(C)(=O)=O)CS1 12869360 XOPDAWWEVDMUSW-UHFFFAOYSA-N 380.539 2.595 0 40 GFAB CN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)N1CCCCCC1 12887925 TWSSAJJUWBMCGM-UHFFFAOYSA-N 375.494 2.831 0 40 GFAB COc1ccc(CN(C)C(=O)CSc2nnnn2C2CCCC2)cc1F 12923063 CEOCEPCSLFSKPG-UHFFFAOYSA-N 379.461 2.687 0 40 GFAB COC(=O)C[C@@H](NC(=O)Cc1ccccc1F)c1ccc(OC)c(OC)c1 14380111 QSFAGCWFUJEHHI-MRXNPFEDSA-N 375.396 2.806 0 40 GFAB Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)N(C)C 14795596 LRNMOTNBKYKNBI-UHFFFAOYSA-N 398.488 2.742 0 40 GFAB CN(Cc1ccc(Br)s1)C(=O)c1cnc2ccccn2c1=O 14848599 CWEKQTSVACEYOH-UHFFFAOYSA-N 378.251 2.791 0 40 GFAB CC[C@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccccc1 17269111 AGXWOZSLHIVABD-FQEVSTJZSA-N 386.517 2.685 0 40 GFAB COc1ccc(C(=O)NC(=S)N2CCC[C@H](c3cccnc3)C2)cc1OC 18200089 BQAMOXZKCHGVAI-INIZCTEOSA-N 385.489 2.993 0 40 GFAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 19448269 LPDRHVHJQOIAIF-IBGZPJMESA-N 398.482 2.582 0 40 GFAB COc1ncc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)cn1 19572037 MPEKXRLDHSQLJO-GOSISDBHSA-N 391.427 2.970 0 40 GFAB Cc1nonc1C(=O)Nc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1 19657389 KUERCJDQSKQTKN-UHFFFAOYSA-N 375.392 2.614 0 40 GFAB COc1cccc2cc(CN3CCC[C@@H](c4nnc5n4CCNCC5)C3)oc12 19709361 LOSDNVLBUCQWIC-MRXNPFEDSA-N 381.480 2.558 0 40 GFAB Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 20495818 WKHCHTAHSIUCOL-UHFFFAOYSA-N 376.453 2.849 0 40 GFAB Cc1ccc(-c2nc(CSc3nnc(C4CC4)n3CCC(N)=O)no2)cc1 22977464 HHDPBHXYWDWUAU-UHFFFAOYSA-N 384.465 2.682 0 40 GFAB CC(=O)c1ccc(OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 23077485 MLTGOTFPCJRXBE-SFHVURJKSA-N 393.505 2.616 0 40 GFAB O=C(NCC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1F 23127437 KCDOEVINIKRDNO-UHFFFAOYSA-N 387.430 2.932 0 40 GFAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCN(c2ncccn2)CC1 23387221 LQKCJZWZAUWDEY-IBGZPJMESA-N 384.524 2.644 0 40 GFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccc(NC(N)=O)cc1 23590468 SLOFWKCSWZSWEZ-JTQLQIEISA-N 387.358 2.523 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3cc(F)c(F)cc31)CC2 24427703 GYHMECFTAUZSSA-UHFFFAOYSA-N 387.386 2.917 0 40 GFAB CCOC(=O)c1c(NC(=O)N2CCN(c3ncccn3)CC2)sc(C)c1C 24563052 HCIAYUUOXMRHNK-UHFFFAOYSA-N 389.481 2.686 0 40 GFAB CC(C)NC(=O)CN(C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 29070855 APNYADWTIFVICV-UHFFFAOYSA-N 397.523 2.925 0 40 GFAB COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC(F)F 29198339 YHTMRDXTRVZZRY-UHFFFAOYSA-N 375.331 2.796 0 40 GFAB COCCN(Cc1ccccc1)C(=O)COc1ccc(N2CCCC2=O)cc1 31482671 IZKZXZXFIITQGK-UHFFFAOYSA-N 382.460 2.867 0 40 GFAB Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)no1 31658237 RWMZIDMDCISOPL-GFCCVEGCSA-N 392.253 2.757 0 40 GFAB CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36614896 QABQVFGUJXDMHI-UHFFFAOYSA-N 389.472 2.939 0 40 GFAB Cn1cc(-c2nnc(SCC(=O)c3ccccc3)n2C[C@H]2CCCO2)cn1 36631405 UPJSMFFRRIQLTL-MRXNPFEDSA-N 383.477 2.833 0 40 GFAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 36829758 MMFHXEFSQYMKNG-HNNXBMFYSA-N 382.526 2.791 0 40 GFAB O=C(COCC1CC1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 40132212 OCKDOXOZAMZHFN-UHFFFAOYSA-N 377.444 2.879 0 40 GFAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 40621182 FWQJDTAZVPTUDR-UHFFFAOYSA-N 386.473 2.640 0 40 GFAB COC(=O)c1ccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 44002012 WJKORRHNXOIOKG-CMDGGOBGSA-N 396.443 2.748 0 40 GFAB O=C(NCCc1cccs1)c1sccc1S(=O)(=O)N1CCCCC1 48262730 YUCQTZISVOYQCT-UHFFFAOYSA-N 384.548 2.957 0 40 GFAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCCc1c[nH]c2ccccc12 49550068 XRHSANOFUBALIY-UHFFFAOYSA-N 378.457 2.812 0 40 GFAB COC(=O)c1c(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)[nH]c(C(C)=O)c1C 52167185 KDULWFVBFLYCIJ-UHFFFAOYSA-N 394.330 2.815 0 40 GFAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)ccc1F 57494612 OMFYIMIIFWMMOO-UHFFFAOYSA-N 389.452 2.576 0 40 GFAB Cc1nc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)nc2ccccc12 58324869 OEEPPLOEPAOWGS-UHFFFAOYSA-N 378.432 2.700 0 40 GFAB CCOC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OCC)C1 70924408 XFUMJTGPCNISDD-MJGOQNOKSA-N 388.508 2.965 0 40 GFAB CCOC(=O)c1c(NC(=O)CN[C@](C)(C(=O)OC)C2CC2)sc(C)c1CC 72308589 LKBQOFZOAGRWNU-IBGZPJMESA-N 396.509 2.665 0 40 GFAB Cc1[nH]nc(S(=O)(=O)Nc2ccc(F)cc2)c1C(=O)NC1CCC(C)CC1 72329901 DXBMDZIAUREVNH-UHFFFAOYSA-N 394.472 2.967 0 40 GFAB COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 77184881 LBOVPXSHEQLRDX-LJQANCHMSA-N 394.830 2.536 0 40 GFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)Cc1cccc(F)c1)CC2)C1CC1 77191986 OFXNOFPWAHCRFM-UHFFFAOYSA-N 395.481 2.519 0 40 GFAB O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79476770 SXMDPCLMQVFZHT-CYBMUJFWSA-N 383.843 2.770 0 40 GFAB CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc4oc(N(C)C)nc4c3)cc21 89386295 BFYRABPVQBLMLZ-UHFFFAOYSA-N 391.431 2.847 0 40 GFAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 96000035 UQZIICURWBZZEW-CQSZACIVSA-N 385.468 2.702 0 40 GFAB Cc1cccc(C(=O)N2C[C@@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)c1 96241028 XLUWADPFIVAJDZ-IBGZPJMESA-N 379.460 2.898 0 40 GFAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(C)cc1 96520135 PDTBKXIDSMVRCQ-GHMZBOCLSA-N 388.654 2.791 0 40 GFAB CN(C)S(=O)(=O)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@@H]2CC[C@@H]1C2 100112679 AJPVDXORJPDLSE-UXIGCNINSA-N 378.416 2.744 0 40 GFAB O=C(NCc1cccc(Cl)c1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 101941585 SWPILLKACOCUKW-WIRSXHRWSA-N 398.846 2.531 0 40 GFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107450032 JSWQGNRIQXFUOC-HMDRVHRGSA-N 376.522 2.826 0 40 GFAB COc1ccc(N(CCCC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1 113960918 YKIMFJZQNNMKNM-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 145111312 ACIGFCYQEUBQDS-UHFFFAOYSA-N 392.546 2.719 0 40 GFAB CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCOCC2)ccc1O 199431290 OHGIUHVVVBRJCJ-HXUWFJFHSA-N 396.487 2.577 0 40 GFAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)C(=O)O)cc1 218620085 AFJSLWNNGFFMOD-NUJGCVRESA-N 379.865 2.618 0 40 GFAB C[C@H](C(=O)NCCSc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220467932 KZGRDKMJSAGNEV-CQSZACIVSA-N 396.509 2.889 0 40 GFAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 224137270 MHWHVIUARXBGAC-UHFFFAOYSA-N 396.896 2.853 0 40 GFAB O=S(=O)(NC[C@](O)(c1ccco1)c1cccs1)c1c(F)cccc1F 225589345 MKWXHDBTEZUFNN-INIZCTEOSA-N 385.413 2.834 0 40 GFAB Cc1nc2c(c(N3CCC(NC(=O)c4noc5c4CCCC5)CC3)n1)CCCC2 225738941 AGUXJGQLCQEOEL-UHFFFAOYSA-N 395.507 2.929 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@](O)(c2ccco2)c2cccs2)cc1C 238825845 DSOWZYAOGOMYEZ-FQEVSTJZSA-N 384.457 2.949 0 40 GFAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1cc(-c2cccnc2)nn1C 253473512 VSHLYWNHIDRONY-UHFFFAOYSA-N 376.869 2.922 0 40 GFAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)o2)cc1 257237063 HEZYOXSFCZHUQQ-KRWDZBQOSA-N 397.475 2.602 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257281180 OOABQPIQFIQRAI-SFHVURJKSA-N 389.883 2.915 0 40 GFAB COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408598373 ZMTLFVUGGSRHLL-UHFFFAOYSA-N 391.493 2.951 0 40 GFAB CC(C)OC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C)CC1 554611944 LDGUBHOMQDJVFL-UHFFFAOYSA-N 391.903 2.792 0 40 GFAB Cc1cccc(CCN2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 565597775 YKFILGQLZJARRY-UHFFFAOYSA-N 378.520 2.530 0 40 GFAB Cc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(C(F)(F)F)n1 575605014 KLQUISRCBKPFDP-UHFFFAOYSA-N 385.415 2.840 0 40 GFAB Cc1nc(-c2cccc(C(=O)NC[C@@H]3CNC[C@H]3c3cncn3C)c2)cs1 1615590064 JRGAJQNNCMNZBU-DLBZAZTESA-N 381.505 2.585 0 40 GFAB Cc1cc(N2CC[C@@]3(NC(=O)c4cccc(C(C)C)n4)CCC[C@H]23)nc(CO)n1 1615610735 GRZHWCQUMFIXTN-AVRDEDQJSA-N 395.507 2.727 0 40 GFAB COc1cc2ncnc(N3CCC[C@H](N(C)c4ncc(C)cn4)C3)c2cc1OC 1888917893 CJIGPAHGJKVUAH-HNNXBMFYSA-N 394.479 2.851 0 40 GFAB Cc1nc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc(C(F)(F)F)n1 1889096220 HTBAXNHOFNLNED-UHFFFAOYSA-N 393.417 2.521 0 40 GFAB Cc1csc(C(=O)N2C[C@H]3OC[C@H](C(=O)NCc4cccs4)[C@H]3C2)c1 2055713496 WWMAPHAOEQFLLT-QLFBSQMISA-N 376.503 2.521 0 40 GFAB O=C(c1cccc(Cl)c1)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 2055822714 LMPHFPRZDCGYGJ-QGZVFWFLSA-N 378.885 2.703 0 40 GFAB O=C(c1cccc(Cl)n1)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 2055835067 VDKSEMRXWMXNEA-XIKOKIGWSA-N 377.803 2.722 0 40 GFAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 2087133000 MJFLXGVDGAMBTR-LLVKDONJSA-N 384.406 2.616 0 40 GFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ncnc3sccc23)c1 3356833 USDNMZCNUKAJIK-UHFFFAOYSA-N 384.461 2.784 0 40 GFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 3482569 FIMYKYGBKKTSQX-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc1OC 3500010 RWBSHIKODJEGHV-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1C 3544872 GGVKIOFMUSIXOM-CQSZACIVSA-N 384.432 2.943 0 40 GFAB CCn1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O 4144749 ONJHHTGWCSZDBZ-UHFFFAOYSA-N 375.384 2.937 0 40 GFAB aggregator Cn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCCCO)c2ccccc21 4678013 ILQHMNFAFXNEGC-UYRXBGFRSA-N 395.434 2.587 0 40 GFAB Cc1nn(CCCC(=O)NCc2ccco2)c(C)c1I 4776490 XFFKDFWMJTWQED-UHFFFAOYSA-N 387.221 2.794 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1 4909405 AFAIINPWCJNJJC-BEFAXECRSA-N 375.488 2.715 0 40 GFAB CCCCCCn1c(CN2CCCC[C@H]2CC)nc2c1c(=O)n(C)c(=O)n2C 4930536 RDOFFCDFDMKXHS-MRXNPFEDSA-N 389.544 2.779 0 40 GFAB CCN(C(=O)CSc1nnnn1-c1ccc(OC)cc1)c1ccc(F)cc1 6087106 PUTDDJDQSHUYTL-UHFFFAOYSA-N 387.440 2.955 0 40 GFAB CCCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 6647765 AMCDLGKIVVSAGM-LJQANCHMSA-N 388.493 2.605 0 40 GFAB Cc1occc1-c1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)o1 7194272 JWJUHBDTIPJGJX-UHFFFAOYSA-N 391.430 2.575 0 40 GFAB O=C(Cc1cccs1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7719181 XLOCBFLRKROEMQ-AWEZNQCLSA-N 383.473 2.735 0 40 GFAB COc1cc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc(OC)c1 7920027 CSAATGRBUMVOIK-UHFFFAOYSA-N 387.465 2.661 0 40 GFAB C=CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC 8113370 OUWDNJNDNJIASM-ZROIWOOFSA-N 379.459 2.634 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccn1 8289981 NEPQHLVIAUNRTO-UHFFFAOYSA-N 387.505 2.505 0 40 GFAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1OC 8333734 GVCUTGZILGEVOH-PXNMLYILSA-N 392.477 2.821 0 40 GFAB COc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 9237894 OYLYIIDKNPKCCH-IAGOWNOFSA-N 381.461 2.993 0 40 GFAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2Cl)Oc2ccccc21 10009187 IXFRQSHUVOLZIG-QGZVFWFLSA-N 394.880 2.574 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1C 11546812 QRXUQPSLNPUIGF-HNNXBMFYSA-N 399.495 2.756 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)n1 12527119 CXNQPJXTAXKEKL-QFIPXVFZSA-N 388.427 2.949 0 40 GFAB CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 12548644 ABIGCHQRQVQBJN-UHFFFAOYSA-N 383.267 3.000 0 40 GFAB COc1ccc(S(=O)(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1 12670407 OKPICEODDDTIOB-UHFFFAOYSA-N 386.477 2.545 0 40 GFAB Cc1nc(C)c(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)s1 12750154 RLQQJQHJPBRCPS-UHFFFAOYSA-N 378.461 2.837 0 40 GFAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccccc1 12753393 YQCQYPNFHFNVOR-JOCHJYFZSA-N 377.444 2.692 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 12799351 HQMVUSJJOONQAT-MRXNPFEDSA-N 394.880 2.973 0 40 GFAB COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1Cl 12884095 FKTPFYZYXNIDGT-FQEVSTJZSA-N 399.834 2.896 0 40 GFAB COc1cc(OC)c(N2C[C@@H](C(=O)NCCCOC(C)C)CC2=O)cc1Cl 12939569 BIZDTHJKUSMAJQ-ZDUSSCGKSA-N 398.887 2.641 0 40 GFAB CCOC(=O)c1ccccc1NC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 12941126 LAKDLQCPELNYKS-GFCCVEGCSA-N 391.449 2.859 0 40 GFAB Cc1cc(C)c(CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c(=O)[nH]1 12971795 PCWUZLWRXWHUFA-UHFFFAOYSA-N 387.443 2.715 0 40 GFAB Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(C(=O)O)cc2)n1 13655365 GNUQSESYDKKBOG-HNNXBMFYSA-N 377.404 2.760 0 40 GFAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14200280 YKVHQTDPTOSVMG-LLVKDONJSA-N 387.383 2.654 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccsc2C(=O)OC)cc1 14237044 REGSXBZBBFBFHM-UHFFFAOYSA-N 396.490 2.818 0 40 GFAB CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 17028187 AWRCHDCQFCISQQ-OAHLLOKOSA-N 387.823 2.942 0 40 GFAB COc1ccc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c(OC)c1 19552278 MCSNHAWQJGQXNA-INIZCTEOSA-N 390.505 2.882 0 40 GFAB CN(C)c1ncccc1CN1CCO[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19693505 XZNASFMHRAODPO-FQEVSTJZSA-N 390.491 2.760 0 40 GFAB Cc1nc(C)c(S(=O)(=O)N[C@@H](CCN2CCOCC2)c2ccccc2)s1 19715984 DKIIMAVBLHJKBU-KRWDZBQOSA-N 395.550 2.502 0 40 GFAB CS(=O)(=O)N1CCCC[C@H]1C1CCN(Cc2nc3ccccc3[nH]2)CC1 19746617 QSFQUFQPNHOTDB-SFHVURJKSA-N 376.526 2.589 0 40 GFAB C[C@@H](CN(C)C(=O)c1cccn(CC(=O)NC2CCCC2)c1=O)c1ccccc1 19751420 KOHOOYKXXCKWJN-KRWDZBQOSA-N 395.503 2.783 0 40 GFAB CCOc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc1 20121663 KTXOVRDNPZJSQQ-HXUWFJFHSA-N 384.528 2.914 0 40 GFAB COc1ccc(CCNC(=O)COC(=O)CCC(=O)c2ccc(C)s2)cc1 21422720 SYEVIGHVVVJBCU-UHFFFAOYSA-N 389.473 2.930 0 40 GFAB O=C(Cc1nc(COC(=O)c2ccc(O)cc2O)cs1)NCc1ccccc1 22526058 GLWYURVQXMZDPC-UHFFFAOYSA-N 398.440 2.770 0 40 GFAB CCOC(=O)C1CCN([C@@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22609125 SQAFKLCHIYDMFQ-HNNXBMFYSA-N 386.477 2.861 0 40 GFAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1 25067302 XTXGWWIOIHSWAR-WBMJQRKESA-N 388.295 2.852 0 40 GFAB COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)CCCCC1 25712291 XDWQVLOBCJDICB-AWEZNQCLSA-N 390.505 2.754 0 40 GFAB COc1ccc(OC)c(CN(C(=O)c2ccc(-c3nnn[nH]3)cc2)C2CC2)c1 25806903 MMDFSNFZYMQDAB-UHFFFAOYSA-N 379.420 2.689 0 40 GFAB Cc1nn(Cn2ccc(C(=O)Nc3nc4ccccc4n3C)n2)c(C)c1Cl 28234353 ZJJDJKMOBAABEF-UHFFFAOYSA-N 383.843 2.995 0 40 GFAB Cc1c(C(=O)NCCCOc2ccccc2F)sc2ncn(C)c(=O)c12 32263488 IYYAODCAYLVJOF-UHFFFAOYSA-N 375.425 2.641 0 40 GFAB CCCCN1C(=O)COc2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc21 32593578 VECCYCITUORRPW-LJQANCHMSA-N 382.416 2.991 0 40 GFAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1C 32759696 IGINYLCKHKTVCA-UHFFFAOYSA-N 376.434 2.916 0 40 GFAB CC(C)n1ncc2cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)cnc21 32865839 HJFVBIUZJFVZBU-SFHVURJKSA-N 393.447 2.508 0 40 GFAB C[C@H](NC(=O)c1cccs1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32869220 LLKLIZPSZSCQLG-NSHDSACASA-N 394.880 2.650 0 40 GFAB COCCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 32915862 CWSRQVUXLFBLGF-UHFFFAOYSA-N 392.477 2.706 0 40 GFAB CCn1c(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)nc2ccccc21 35291813 PTBDVOYBMXYOTN-UHFFFAOYSA-N 395.482 2.634 0 40 GFAB CCc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c1 35430770 JMWWWFVCLJYTDS-UHFFFAOYSA-N 390.487 2.599 0 40 GFAB biogenic CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 40009536 XPHWLOKQHYFWGE-INIZCTEOSA-N 389.496 2.688 0 40 GFAB Cc1nnc(C)n1-n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397301 LQHAZHCPSBUJOZ-UHFFFAOYSA-N 391.822 2.884 0 40 GFAB CC1=NN(c2ccc(C(=O)N3CCN(Cc4c(C)noc4C)CC3)cc2)CC1 48235990 RXCPGDIZWVOLHY-UHFFFAOYSA-N 381.480 2.835 0 40 GFAB O=C(NC1CC1)C1CCN(C(=O)N[C@H]2CCCOc3ccc(F)cc32)CC1 54783360 JFLOSZCBEMOOFR-KRWDZBQOSA-N 375.444 2.740 0 40 GFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(OC)c2)CC1 54911898 DGJHENQPYJNTGI-UHFFFAOYSA-N 381.476 2.654 0 40 GFAB CCOC(=O)[C@H]1CCCN(c2nc(Nc3ccc(C)cc3)c3n[nH]nc3n2)C1 62022656 LZPRITGJDQERDO-ZDUSSCGKSA-N 381.440 2.579 0 40 GFAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(C(F)(F)F)[nH]c1=O 65474387 DWTIVAAKEKKODL-UHFFFAOYSA-N 399.413 2.695 0 40 GFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(CC)cc2)c(=O)c1=O 67256550 LSSYESKFORDRGU-UHFFFAOYSA-N 393.443 2.599 0 40 GFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C)c2ccccc2C1 68864993 HXPXBIUFDAQUEL-NRFANRHFSA-N 390.487 2.694 0 40 GFAB COCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1cccc2nccnc12 72314713 ZRHPIPVSWDIQKA-KRWDZBQOSA-N 390.399 2.683 0 40 GFAB CC(C)CNC(=O)CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 72402124 SXFLYXHOIKEAGS-UHFFFAOYSA-N 387.311 2.597 0 40 GFAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1c(F)cccc1F 77196629 FGDDXGQBJXAJBA-UHFFFAOYSA-N 396.401 2.729 0 40 GFAB O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 78973073 JKZSRWZUSLZARU-PXAZEXFGSA-N 376.815 2.682 0 40 GFAB CCOc1cc(C(=O)N[C@H](C(=O)OC)c2ccc(OC(F)F)cc2)ccn1 95460717 IHBFLKFUXMVGKN-HNNXBMFYSA-N 380.347 2.726 0 40 GFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c(OC)c1 95480201 AZYGSWLFSPLNFS-GFCCVEGCSA-N 380.404 2.572 0 40 GFAB Cc1csc(N2CCN(C(=O)[C@@H]3CCn4c(cnc4C(F)(F)F)C3)CC2)n1 95993095 USLWRZBIQRLLQJ-GFCCVEGCSA-N 399.442 2.578 0 40 GFAB Cc1ccc(CN2CCC[C@]3(C(=O)N(C)C)CN(c4ncccn4)C[C@@H]3C2)s1 96056104 YTVPIMULLNYZQT-UWJYYQICSA-N 399.564 2.653 0 40 GFAB O=C(NCCCCCc1nc2ccccc2[nH]1)[C@H](c1ccccc1)n1cnnn1 96117489 RCZWHZYUKSIZRK-FQEVSTJZSA-N 389.463 2.668 0 40 GFAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3cccc(F)c3F)ccc2NC1=O 96182246 YJXXELVEVGGLGH-IBGZPJMESA-N 390.342 2.870 0 40 GFAB O=C([C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCCCCC1 100768920 OHDRKYIAFNMZNY-WHZJULEDSA-N 392.499 2.807 0 40 GFAB O=C(NCc1ccco1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102139605 PMCXEGKYIKKDNM-RKGSWTEASA-N 388.423 2.767 0 40 GFAB CN(CCc1cccc2ccccc12)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 104195906 NXYUDTKKRUFHDL-GPHNJDIKSA-N 388.467 2.648 0 40 GFAB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccccn1)S(C)(=O)=O 113965837 WIMZPFJNHUNDHB-UHFFFAOYSA-N 395.912 2.906 0 40 GFAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1NS(C)(=O)=O 164310516 IEQIQSQHRCRZAH-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 206695878 OLNNQZWVNZWVOM-HNNXBMFYSA-N 393.848 2.757 0 40 GFAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O 223037419 BSAGLPBWFCSMJN-UHFFFAOYSA-N 375.233 2.902 0 40 GFAB CCOC(=O)C1CCN(C(=O)c2snnc2-c2ccc(OC)cc2)CC1 225763025 QCLJZRGRUBLBJX-UHFFFAOYSA-N 375.450 2.629 0 40 GFAB O=C(NCc1cccc(F)c1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225794172 HFZPCHIUCOZJNV-UHFFFAOYSA-N 383.471 2.963 0 40 GFAB COc1ccc([C@H](CC(=O)N2c3ccccc3C[C@H]2C)NS(C)(=O)=O)cc1 225953084 DQVQQJUSXICAHR-KDOFPFPSSA-N 388.489 2.653 0 40 GFAB C[C@H]1CCCN(c2ncc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cn2)C1 248111990 HRUKHVXYNJYJHI-PXNSSMCTSA-N 379.508 2.842 0 40 GFAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3ccc(O)nc3)CC2)ncn1 257317958 VLWXEHIXSHWHMJ-UHFFFAOYSA-N 393.447 2.944 0 40 GFAB CNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 257326495 WXJUBGPLXLBXKU-UZLBHIALSA-N 392.503 2.697 0 40 GFAB COCC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc(SC)cc1)CCO2 306137217 QPIMXOQZBNOCAC-AZUAARDMSA-N 378.538 2.685 0 40 GFAB CCn1cc(-c2noc(CNC(=O)c3cc(Br)cs3)n2)cn1 390831553 SMIMZFHHWMIEGR-UHFFFAOYSA-N 382.243 2.707 0 40 GFAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 408592707 NMQLAWHZLPGSPV-RQZCQDPDSA-N 393.374 2.806 0 40 GFAB CCOCCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409338615 NAOKFWLYSXXAAY-UHFFFAOYSA-N 376.478 2.668 0 40 GFAB O=C(N1CCCC[C@@H]1c1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 524734959 MZHFEOTYUAOTPU-QGZVFWFLSA-N 379.468 2.963 0 40 GFAB Cc1cc(C)c(C(=O)NC2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)o1 527565541 LKUPKVYRAXFKHL-UHFFFAOYSA-N 390.394 2.671 0 40 GFAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527972188 NXBATEVQNSASFW-RDBSUJKOSA-N 396.459 2.919 0 40 GFAB Cc1cc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)n(C2CCOCC2)n1 528198985 NPLAXADGQWRMPW-UHFFFAOYSA-N 391.435 2.900 0 40 GFAB Cc1nc(O)c(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1-c1ccccc1 530686829 VYYVGHJEABJANO-UHFFFAOYSA-N 377.400 2.879 0 40 GFAB CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)ccc1Cl 574046535 MGSIMWLIRUUYTA-TZMCWYRMSA-N 384.885 2.776 0 40 GFAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(Oc2ccsc2)CC1 575618503 IIVODYUPMHKUQW-UHFFFAOYSA-N 383.473 2.918 0 40 GFAB O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)c1cnc2n1CCCC2 630141899 TZXITLFAKZLWNY-INIZCTEOSA-N 396.447 2.551 0 40 GFAB NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)C1 664796870 XDMWXNQWVDKGRF-MRXNPFEDSA-N 377.448 2.513 0 40 GFAB CCN1C(=O)CO[C@H](c2nc(Cc3ccc(C)c(C)c3)no2)[C@H]1c1cnn(C)c1 665012735 POJLQZUTYHYJGR-UXHICEINSA-N 395.463 2.672 0 40 GFAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccccc3)CC1)CC(=O)N2CC1CC1 1772596450 IJKFHMWQYFRNQY-UHFFFAOYSA-N 378.476 2.970 0 40 GFAB O=C(c1cscn1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995454 WWVJPJKHESBFSZ-JTQLQIEISA-N 383.271 2.627 0 40 GFAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2scnc2C)C1 2055750839 DFVDJOLOQSINQK-FQEVSTJZSA-N 388.537 2.661 0 40 GFAB Cc1cc(Br)cnc1N1CCC[C@H](N(C)S(=O)(=O)C2CC2)C1 2086864741 FSVQRZFKKHPARO-ZDUSSCGKSA-N 388.331 2.545 0 40 GFAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 24712259 HSIUWIKWCSBQLE-LLVKDONJSA-N 384.807 2.600 0 40 GFAB CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 24716262 VSUTWEXFAAIXOK-UHFFFAOYSA-N 376.881 2.652 0 40 GFAB CCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1c(C)cccc1C 24802762 GPEOOAJBRZJMHQ-UHFFFAOYSA-N 388.489 2.808 0 40 GFAB O=C(NCCc1ccncc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 79474162 NMKIOVOOEYYGBM-UHFFFAOYSA-N 393.896 2.638 0 40 GFAB O=C(c1nn2cc(Br)cnc2c1Br)N1CCCCC1 3175407 DMMLDRWUYKWPBU-UHFFFAOYSA-N 388.063 2.880 0 40 GFAB O=C(NCCOc1cccc(Cl)c1Cl)N1CCC2(CC1)OCCO2 56908493 IAGBKCNMBDLITF-UHFFFAOYSA-N 375.252 2.921 0 40 GFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885468 MOQSAHOVJOVCIP-KEXUJGGDSA-N 392.455 2.767 0 40 GFAB COc1cc(NC(=O)CN2CCN(c3nccs3)CC2)c(OC)cc1Cl 57460483 ZLEQXWBKPCNKBY-UHFFFAOYSA-N 396.900 2.574 0 40 GFAB COC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 101278763 SOSGUVUARITUOF-LDSOLPTJSA-N 395.463 2.702 0 40 GFAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCCOC 8040995 NGGUKKOVTNHRSF-QGZVFWFLSA-N 386.448 2.868 0 40 GFAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O)c1cc2ccccc2o1 57822458 AQQWIRMVPGRXCJ-KSSFIOAISA-N 398.484 2.997 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1OC 8301065 UAYFTFPQGNEFJD-CQSZACIVSA-N 392.477 2.626 0 40 GFAB Cc1ccc(OCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)c1 8389360 BBUJWKHHYCNBRI-UHFFFAOYSA-N 380.444 2.875 0 40 GFAB Cc1ccc(F)cc1NC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 10027169 PLCOVLHKLBDUHD-UHFFFAOYSA-N 375.425 2.592 0 40 GFAB Cc1c(F)cc(C(N)=O)cc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 44752429 UZWGUIWZRNNQQW-GFCCVEGCSA-N 379.432 2.819 0 40 GFAB COCc1nn2c(O)cc([C@@H]3CC(=O)N(C)C3)nc2c1-c1ccc(Cl)cc1 100775662 LLPSXAGKFKPZMW-GFCCVEGCSA-N 386.839 2.847 0 40 GFAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCCc1ccc(OC)cc1)cn2C 22237127 OPTINGBODLBQCL-UHFFFAOYSA-N 380.444 2.918 0 40 GFAB Cc1cc(N2CCN(C(=O)[C@H]3Oc4ccccc4O[C@H]3C)CC2)nc(C(C)C)n1 27809785 ZOSXRBPXQCNCFH-JXFKEZNVSA-N 396.491 2.786 0 40 GFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)cc1C 20013731 LNLPSIODBGWEME-UHFFFAOYSA-N 384.404 2.541 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccco1 113943199 XZIFAIRNDRUYPM-UHFFFAOYSA-N 376.478 2.939 0 40 GFAB COc1cc(C(C)=O)ccc1OCCOc1ccc(S(=O)(=O)N(C)C)cc1 24979194 QSKZGLREPKXGJA-UHFFFAOYSA-N 393.461 2.606 0 40 GFAB Cc1cc(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)no1 2653210 UCRXROCCNSXUCG-UHFFFAOYSA-N 394.383 2.775 0 40 GFAB COc1ccc(NC(=O)[C@H]2[C@H]3NC(=S)N[C@@]2(C)Oc2ccc(OC)cc23)cc1 104785732 DXCNWBIJOXYUGK-UWVAXJGDSA-N 399.472 2.586 0 40 GFAB COc1ccc(N(CCCC(=O)NCCCc2ccco2)S(C)(=O)=O)cc1 113961830 SKLAWQLBFLACNG-UHFFFAOYSA-N 394.493 2.583 0 40 GFAB Cc1ccc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)C[C@@H]2C)cc1 2922868 RHTXPIGOIWGDCM-KRWDZBQOSA-N 390.487 2.522 0 40 GFAB O=C([C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCOCC1 12750167 YYCAMFFLCKQWJP-QFIPXVFZSA-N 393.487 2.503 0 40 GFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H]1COc2ccccc2O1 48353734 YXEUQOIHPVQPEB-HKUYNNGSSA-N 378.428 2.907 0 40 GFAB CCNC(=O)COc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)c1 48356071 KVJGYHSKBAVHCE-UHFFFAOYSA-N 382.869 2.964 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3csc(C)n3)n2c1 48325032 XZLFDRYFINRKSQ-UHFFFAOYSA-N 397.551 2.817 0 40 GFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 12867262 LBGLFTNKDQXOER-HNNXBMFYSA-N 399.472 2.815 0 40 GFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1OC 113945211 NVHKVLWGJHHHBA-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 24021663 HOTYAIJJMOFOPX-UHFFFAOYSA-N 380.444 2.981 0 40 GFAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccc2O)CC1 22243010 RMSCMUUOIXYWFR-FQEVSTJZSA-N 387.524 2.762 0 40 GFAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1N 3549032 WCKCWQCMEPHAPE-UHFFFAOYSA-N 395.488 2.887 0 40 GFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCc3sccc3[C@@H]2C)c1C 12996189 XJRPGWDVVWUFNR-ZDUSSCGKSA-N 393.534 2.570 0 40 GFAB CC(C)Oc1ccc(C(=O)NCC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 13095673 MJHHEWPEAUARCW-UHFFFAOYSA-N 398.459 2.633 0 40 GFAB CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCCCC1 6112309 YESCQPCUNBDMIC-UHFFFAOYSA-N 378.270 2.950 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 4469055 ZMNSIGOHVYPDGX-INIZCTEOSA-N 389.473 2.579 0 40 GFAB CCNC(=O)CSc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 14085723 LXTXBQSBOYYGGF-KBPBESRZSA-N 377.514 2.630 0 40 GFAB O=C1CCN(C(=O)c2ccc(Oc3ccccc3Br)nc2)CCN1 65902064 AFHZJJJFJNTIGE-UHFFFAOYSA-N 390.237 2.599 0 40 GFAB C[C@H](CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCN(c2ccccn2)CC1 4724873 TVZXBPHFFSXNEV-MRXNPFEDSA-N 384.455 2.924 0 40 GFAB Cc1ncc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c(C)n1 95464314 RANUVNYHJITFCA-UHFFFAOYSA-N 393.274 2.998 0 40 GFAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCCCCCC1 7154248 XHXRRMPGQWEOEO-UHFFFAOYSA-N 397.504 2.994 0 40 GFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(OC)c1OC 7513002 NYJRAXNBSKQKEW-UMVBOHGHSA-N 379.453 2.810 0 40 GFAB CNC(=O)c1cccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 7806651 HGNJNQXACQCFNP-KRWDZBQOSA-N 387.505 2.727 0 40 GFAB COc1cccc(-c2noc(CN3CCN(C(=O)c4cccs4)CC3)n2)c1 16695789 UMURQQWTYHTKLG-UHFFFAOYSA-N 384.461 2.765 0 40 GFAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nc(-c2ccccn2)cs1 61718838 QYLWAYJLWIXMML-UHFFFAOYSA-N 379.401 2.661 0 40 GFAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 16974643 RSFYXEACTUAFGJ-JTQLQIEISA-N 379.438 2.653 0 40 GFAB CCOC(=O)C1=C(COC(=O)[C@@H](C)Sc2ccc(C)cc2)NC(=O)N[C@@H]1C 8328904 VASARLGGIYYRCB-CHWSQXEVSA-N 392.477 2.537 0 40 GFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4F)ncn3n2)cc1 67208823 MVSQZOXTDOMMLQ-UHFFFAOYSA-N 391.406 2.898 0 40 GFAB CC[C@@H]1CCCCN1C(=O)Cn1nnc(-c2cccc(C(=O)OC(C)C)c2)n1 18664562 KPNNRNAEFZPUEU-QGZVFWFLSA-N 385.468 2.696 0 40 GFAB CCOc1ccc(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cc1OC 8986676 UELSOLPRYPLYMI-UHFFFAOYSA-N 378.450 2.610 0 40 GFAB Cc1cnn(C2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)CC2)c1 95958671 XNPGUIMOZYAIRJ-INIZCTEOSA-N 381.480 2.592 0 40 GFAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 95993115 XKCJCEWVYOUJND-HNNXBMFYSA-N 385.431 2.931 0 40 GFAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)s1 23674174 FOJYYZIGTBOFSQ-UHFFFAOYSA-N 378.947 2.715 0 40 GFAB CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(Br)cc2)COS1(=O)=O 116421563 BSBOQPCBENVYGB-LBPRGKRZSA-N 392.271 2.872 0 40 GFAB C[C@H](NC(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)c1nc(C(F)(F)F)n[nH]1 1563233412 WAKFFNCAHPQSIY-AYVTZFPOSA-N 398.345 2.661 0 40 GFAB Cc1cccc(S(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1 56997638 GLHDKIDBVBAVPB-UHFFFAOYSA-N 393.940 2.749 0 40 GFAB O=C1CN(Cc2ccc(OCc3ccccn3)cc2)CCN1CC(F)(F)F 512791629 DMUHMORNSZUTMD-UHFFFAOYSA-N 379.382 2.867 0 40 GFAB CCOc1ccccc1CNC(=O)Cn1cnc2c([nH]c3ccccc32)c1=O 35423734 PCMCKJKRWHNPHQ-UHFFFAOYSA-N 376.416 2.593 0 40 GFAB CCCNS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)O)c1 217543412 ZSQFXUGQVAOMCR-UHFFFAOYSA-N 392.477 2.736 0 40 GFAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)NCC1CCOCC1 72402242 CGLBZBUMELDJDR-UHFFFAOYSA-N 377.444 2.606 0 40 GFAB Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c(C)c1 44901537 IOOKCFQWSDBWFK-KRWDZBQOSA-N 389.521 2.794 0 40 GFAB O=C(CN1CCOCC1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72358030 IXEAVXNOOYYHKS-NRFANRHFSA-N 383.467 2.807 0 40 GFAB CC(C)N(C(=O)Cn1nc(-c2cccs2)n(-c2cccnc2)c1=O)C(C)C 72346609 ORQZIPFDZYRQDW-UHFFFAOYSA-N 385.493 2.803 0 40 GFAB CC(=O)N1CCc2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)ccc21 47533266 FKKMCUXUWMPHHD-UHFFFAOYSA-N 387.480 2.725 0 40 GFAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCOCC2)c1 224730280 XENKOELONIDWBN-UHFFFAOYSA-N 394.924 2.792 0 40 GFAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)N3CCOCC3)cc2)CC1 43220456 WUKAWIWUYOXLOI-UHFFFAOYSA-N 390.480 2.937 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)c(Cl)c1 226081238 MQWRWMMRMDYICI-UHFFFAOYSA-N 390.933 2.960 0 40 GFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(C(=O)c2ccoc2)CC1 77099703 ZRZRPAJWMFWZPC-DUXPYHPUSA-N 382.416 2.690 0 40 GFAB COC(=O)CSc1nnc(NC(=O)c2ccccc2Br)s1 225409124 IRKMVJZZJGBFKC-UHFFFAOYSA-N 388.268 2.818 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cccc(OCC)c2)cc1 224604824 CMHPZRBNWVBKNB-UHFFFAOYSA-N 393.461 2.852 0 40 GFAB COc1ccc(OCC(=O)N[C@@H]2c3ccccc3[C@@H]3CN(C(C)=O)C[C@H]23)cc1 96268326 LKSVLIYGATZXCA-JAXLGGSGSA-N 380.444 2.507 0 40 GFAB Cc1noc(C[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2)n1 580988446 FJRKBZAVKZSBSO-KRWDZBQOSA-N 379.416 2.792 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc1O2 96242929 YHBLBMNYRQXZSW-INIZCTEOSA-N 394.537 2.605 0 40 GFAB CC(C)Cc1ncc(-c2cnc([C@H]3CCCN(S(C)(=O)=O)C3)cn2)s1 257290785 QEIJEEOLMHYIHA-ZDUSSCGKSA-N 380.539 2.938 0 40 GFAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C(C)(C)n2cc(N)cn2)CC1 662682967 LERZGDCKBQVZFO-AWEZNQCLSA-N 375.904 2.759 0 40 GFAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)N[C@H]1CCNC1=O 665326621 BXQFWRTYVNRPKO-YOEHRIQHSA-N 385.386 2.580 0 40 GFAB COC(=O)c1c[nH]c2cc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CN)C3)ccc12 599607480 QHPWCGZBGSXEJG-IINYFYTJSA-N 398.385 2.946 0 40 GFAB O=C(CSc1ccncc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831496 SDTHTNQMAXGRID-QGZVFWFLSA-N 394.493 2.701 0 40 GFAB NC(=O)C1CCN(C2CN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)C2)CC1 390825964 UQFZMHBOJSLNAO-UHFFFAOYSA-N 397.450 2.640 0 40 GFAB Cc1ccc(O)c(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111186 IDIDUDZGVKDLBS-FQEVSTJZSA-N 377.444 2.989 0 40 GFAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(I)cc1 39956960 YEZLGSBLNCEULA-SNVBAGLBSA-N 377.178 2.942 0 40 GFAB COCCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 5028495 SBMCUDOMHSDJIZ-GOSISDBHSA-N 381.432 2.889 0 40 GFAB CCn1cc(S(=O)(=O)N2[C@H](COc3cccc(OC)c3)[C@H]3CC[C@@H]2C3)cn1 12085282 WRTFQXUTIKXDAQ-QMTMVMCOSA-N 391.493 2.532 0 40 GFAB CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](c2ccccc2)C1 12794355 ADFCJISXJMUDSS-QGZVFWFLSA-N 394.443 2.812 0 40 GFAB CC[C@H](C(=O)NCCCOC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716597 JRFIAAUKVJKEMK-GOSISDBHSA-N 384.542 2.779 0 40 GFAB Cc1nn(CCCNS(=O)(=O)c2cccs2)c(C)c1Br 14247457 XGVXIKARFBPJBD-UHFFFAOYSA-N 378.317 2.693 0 40 GFAB CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 16637357 WJNUUQKKWZNHCL-GFCCVEGCSA-N 391.331 2.765 0 40 GFAB COCCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(C)n2)CC1 19236167 SSKWTPNWSFIBPZ-QFIPXVFZSA-N 382.508 2.891 0 40 GFAB C[C@@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)c2C1 19497111 BRDVSACZVFASIP-CQSZACIVSA-N 395.507 2.597 0 40 GFAB COCCNc1nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc2ncccc12 19593595 MFEOGXGPQRJURX-QGZVFWFLSA-N 398.507 2.821 0 40 GFAB CCn1cc(-c2cc(NC[C@@H](c3ccccc3OC)N(C)C)nc(N)n2)cn1 19718026 XFTKKZRASWUCCW-KRWDZBQOSA-N 381.484 2.666 0 40 GFAB Cn1nc([C@@H]2CCCO2)cc1NC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 654053982 AHXXTEWMKUESDY-DRZSPHRISA-N 376.379 2.893 0 40 GFAB COc1ccc(C(=O)NCCN2CCC(O)(c3ccc(C)cc3)CC2)cc1OC 12326356 ZGHPKMVNQGTSMO-UHFFFAOYSA-N 398.503 2.726 0 40 GFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 1889205693 IUEBGGLIWJEIIY-FQEVSTJZSA-N 390.443 2.565 0 40 GFAB Cc1nc(N2CCN(c3nc4ccccc4nc3C)CC2)cc(-n2cccn2)n1 1889229710 ODIXHCRYOCEOPT-UHFFFAOYSA-N 386.463 2.549 0 40 GFAB COC(=O)[C@H]1C[C@H](N2CCCC2)CCN1C(=O)c1cc(OC)ccc1Cl 1565550877 JHKHXBNBEHCSSP-CXAGYDPISA-N 380.872 2.591 0 40 GFAB COc1ccc(CN2CC[C@H]3[C@H](CC(=O)NCC(F)(F)F)OC[C@H]3C2)cc1 1565551591 ICNOYZLQPZOQKD-OIISXLGYSA-N 386.414 2.601 0 40 GFAB Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n3C)o1 8706206 HQDVNRMRYGJYPB-UHFFFAOYSA-N 379.203 2.604 0 40 GFAB Cc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cn2)cc1 13806651 MVXBKGBYRABYHK-UHFFFAOYSA-N 388.471 2.568 0 40 GFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC[C@H](c2cnn(C)c2)C1 1775965418 LJZMPTYSGBFFGU-INIZCTEOSA-N 392.459 2.599 0 40 GFAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775969120 YJCQLTJBGGVQIA-GFCCVEGCSA-N 376.459 2.536 0 40 GFAB Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c1 19235136 UBMFEUBGOUZGSZ-LJQANCHMSA-N 380.492 2.952 0 40 GFAB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(O)ccc2o1 19370017 ITQQNPNTVSMNCB-UHFFFAOYSA-N 394.427 2.545 0 40 GFAB biogenic C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 40113195 DOUISUZXZPCCPF-KXBFYZLASA-N 394.537 2.700 0 40 GFAB Cc1[nH]c2nc(NC(=O)CCc3ccccc3)nn2c(=O)c1Cc1ccccc1 100650706 NSAFWGLDXWSEJC-UHFFFAOYSA-N 387.443 2.888 0 40 GFAB COC(=O)c1cn(-c2ccccc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)nn1 31622827 JQYYEDALUHJMST-GFCCVEGCSA-N 384.367 2.599 0 40 GFAB Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc12 102399931 AVPSMGLZCKEANB-IYBDPMFKSA-N 383.400 2.572 0 40 GFAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)CNC(=O)Cc3ccccc3)cc2)C1 32930088 UKHOGOINPPCKOQ-LJQANCHMSA-N 393.531 2.894 0 40 GFAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 22805023 JEFKGKZEOGPODR-UHFFFAOYSA-N 377.492 2.936 0 40 GFAB CCOC(=O)C1=C(CNC(c2ccccc2)c2ccccc2)NC(=O)N[C@@H]1C 23752129 LBRPRHZSARCAHP-OAHLLOKOSA-N 379.460 2.884 0 40 GFAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)cc1 780997 PQVAXHUDQIWFNK-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1nnc(C)s1)C(F)(F)F 2050069 BWULONIMNSSXFO-AWEZNQCLSA-N 388.371 2.510 0 40 GFAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2091674 LGGQZCNWICHIPE-SJCJKPOMSA-N 375.421 2.657 0 40 GFAB biogenic O=C(COC(=O)c1cc(Br)ccc1Cl)NC[C@@H]1CCCO1 2627443 YVIXQJAZIYIISK-JTQLQIEISA-N 376.634 2.555 0 40 GFAB COC(=O)c1sccc1NC(=O)CCC(=O)Nc1ccsc1C(=O)OC 2747660 LQWLEGDDRNOSFP-UHFFFAOYSA-N 396.446 2.740 0 40 GFAB CCNC(=O)NC(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 3518060 GPIGCOYKYDURRG-UHFFFAOYSA-N 398.444 2.603 0 40 GFAB COc1cc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1 3526945 PPMRKQKNFYCVMF-LICLKQGHSA-N 399.266 2.779 0 40 GFAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 4182843 FLPYNGXIWLRCET-LJQANCHMSA-N 387.501 2.898 0 40 GFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 4504431 GKCBNNYYHQNJLZ-UHFFFAOYSA-N 380.853 2.613 0 40 GFAB CCC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)NC(C)C 4859296 GKMUQDWNJLDSBR-UHFFFAOYSA-N 376.526 2.958 0 40 GFAB COc1ccc(C)cc1-n1nnnc1SCc1cn2c(C)cc(C)nc2n1 4864585 BVMVRJQVTROVDW-UHFFFAOYSA-N 381.465 2.931 0 40 GFAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CC)nnc12 5437039 GHXFDEDBKKOLGU-CYBMUJFWSA-N 387.509 2.851 0 40 GFAB O=C(Cc1ccc(F)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 5633013 VUUIONMNCSISAW-UHFFFAOYSA-N 391.196 2.882 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 6728339 FFITZYKIUSTAHC-INIZCTEOSA-N 390.505 2.898 0 40 GFAB O=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1cccs1 6755735 ZCLCQYDWLZJCKI-UHFFFAOYSA-N 396.803 2.942 0 40 GFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(OC)cc2)CC1=O 7940166 BHILSCKAKSADHZ-MRXNPFEDSA-N 396.443 2.792 0 40 GFAB CC1CCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)CC1 8062053 CXWRNNUSRQFLSE-UHFFFAOYSA-N 387.553 2.988 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 8124678 LOSQACFJWYJROT-LJQANCHMSA-N 389.473 2.988 0 40 GFAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 8218596 HIFDECFISIJBSO-NSHDSACASA-N 387.288 2.977 0 40 GFAB CCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=S)Nc2ccccc2)cc1 8684775 GGKVIUFFDYCIIY-GOSISDBHSA-N 396.516 2.775 0 40 GFAB CN1CCOc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2C1=O 8961589 TWWWCZAACVRCIX-UHFFFAOYSA-N 380.853 2.746 0 40 GFAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3F)CC2=O)cc1 9036111 UPJDDIJSYLREBD-AWEZNQCLSA-N 392.452 2.556 0 40 GFAB Cc1cccc(NC(=O)CC[C@@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)c1 9054079 LBDLDGGWPPJEOO-INIZCTEOSA-N 395.415 2.767 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@H]1Cc3ccccc3C(=O)O1)O[C@H](C)C2 9054155 FPMMVHZGIGGETH-ZUOKHONESA-N 381.428 2.807 0 40 GFAB COc1ccccc1-c1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1N 9212540 SCTMVKZGJIHICD-LLVKDONJSA-N 394.460 2.757 0 40 GFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCSc3ccccc31)C2=O 9613836 JEDCPVROQNFRNF-RCDCFZSISA-N 387.505 2.840 0 40 GFAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cccc(C)c3)c2=O)cc1 9660606 GDNZXGZIJSPCMA-UHFFFAOYSA-N 387.439 2.972 0 40 GFAB COc1ccc(C)cc1CN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 9918708 QIVIHVGIERMTFV-UHFFFAOYSA-N 388.489 2.717 0 40 GFAB NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 10635402 JZCJKERWFQCXEB-HZPDHXFCSA-N 378.881 2.548 0 40 GFAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCCN1S(=O)(=O)c1cccs1 10784632 LEJUKBFBDNVFQA-GFCCVEGCSA-N 397.547 2.875 0 40 GFAB CC(C)C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 10960745 JNIVBKJAXYQGKB-SFHVURJKSA-N 390.447 2.571 0 40 GFAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11181491 GIFNVNWGARIFTG-KRWDZBQOSA-N 392.415 2.750 0 40 GFAB CCc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cc3ccsc3n12 12114295 ULPPFDLIFQKWNK-UHFFFAOYSA-N 380.473 2.632 0 40 GFAB CCOc1cc(CCC(=O)N2CCCC[C@H]2c2cc3nc(C)cc(O)n3n2)on1 12161146 HFYFRTNMRSNTAB-INIZCTEOSA-N 399.451 2.816 0 40 GFAB C[C@@H](C(=O)NCCc1ccccc1F)n1nc(-c2cccs2)cc(N)c1=O 12181231 CEQXJFVTQBDIIP-LBPRGKRZSA-N 386.452 2.613 0 40 GFAB Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 12806181 KFMPHFLTLNJXOX-UHFFFAOYSA-N 375.446 2.877 0 40 GFAB CC(C)C(=O)Nc1cccc(CNC(=O)CCn2c(=O)oc3ccccc32)c1 12850076 ZWALWMWBAUPNAG-UHFFFAOYSA-N 381.432 2.896 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C 12919043 IXGOZBIVINACHF-UHFFFAOYSA-N 379.482 2.675 0 40 GFAB COc1ccc(NC(=O)CCNS(=O)(=O)c2cc(C)c(Cl)c(C)c2)cn1 13096296 XOTBEARRGMBLJR-UHFFFAOYSA-N 397.884 2.668 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)N[C@H](CC(=O)O)c1ccccc1Cl 13173297 AZJUGIPRLPAATO-CQSZACIVSA-N 381.837 2.689 0 40 GFAB COc1ccccc1NC(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 13535498 MNOPFBBSJUGPFM-UHFFFAOYSA-N 390.447 2.901 0 40 GFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccc2O)N1Cc1cccnc1 13725903 RLCLRDFXSYKCAR-GHTZIAJQSA-N 396.468 2.636 0 40 GFAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13810309 QGXQCTSNYIUTPY-PHIMTYICSA-N 379.844 2.656 0 40 GFAB CCOC(=O)c1sc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C 14086443 PVPRATYXKQTLJI-CHWSQXEVSA-N 392.477 2.737 0 40 GFAB CCOc1ccccc1OCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 15197608 FLTBPZKQNDECMF-CQSZACIVSA-N 377.462 2.745 0 40 GFAB CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 15674160 SNUAVBXZHRIDAQ-CVEARBPZSA-N 396.413 2.957 0 40 GFAB biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842564 VRPLRPRCASPSTQ-UHFFFAOYSA-N 378.837 2.967 0 40 GFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 15922760 SDWWSZLPQJOKFK-UHFFFAOYSA-N 387.457 2.749 0 40 GFAB O=S(=O)(NCc1ccc2c(c1)OCCO2)c1ccccc1Br 16085950 UWAMLKLNHAFDOM-UHFFFAOYSA-N 384.251 2.699 0 40 GFAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4ccccc4)CC3)C2=O)cc1 18222853 XJISBAVHAXGQKL-FQEVSTJZSA-N 392.455 2.985 0 40 GFAB Cc1nccn1C[C@H](C)C(=O)N1CCC[C@H](n2nc(-c3ccco3)ccc2=O)C1 19287696 XYSOTIJHGHPEFS-RDJZCZTQSA-N 395.463 2.508 0 40 GFAB CCN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccco2)CC1 19528003 XBJXIWXMCKIULH-GOSISDBHSA-N 386.887 2.695 0 40 GFAB C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(Cn2cnnn2)cc1 19714810 ZLTRQMMOVWFUQB-AWEZNQCLSA-N 392.438 2.713 0 40 GFAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C 20466103 TUHNQKHRJJVJBN-AHOWEJGSSA-N 390.524 2.860 0 40 GFAB biogenic,in-vitro O=C(c1cc(-c2ccccc2)on1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 21524125 RAKLTXJDVZMEDF-HNNXBMFYSA-N 386.429 2.764 0 40 GFAB CN(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cn1 22420659 FDZNEWNSNOVGJK-UHFFFAOYSA-N 398.488 2.608 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 22892482 PAORUYSYMUDIFY-UHFFFAOYSA-N 387.864 2.590 0 40 GFAB CN1CCN(c2ccc(CNC(=O)CCc3nc4ccccc4s3)cn2)CC1 23318201 WZNASPSNOWGQER-UHFFFAOYSA-N 395.532 2.692 0 40 GFAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1F 23863759 ZRQBVYQMGHZJHB-UHFFFAOYSA-N 390.908 2.793 0 40 GFAB COc1ccccc1NC(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 24687449 HHHBOOQTBMNELZ-UHFFFAOYSA-N 377.466 2.704 0 40 GFAB COc1ccc(CN2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cc1F 25198753 AEZMTVMMVBSSQD-QPJJXVBHSA-N 398.434 2.921 0 40 GFAB CC(=O)Nc1ccc(CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1 25554319 SKNOSFVBHLFODN-KRWDZBQOSA-N 388.855 2.714 0 40 GFAB COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc1 26099780 GVQIBWCPIUEVNQ-UHFFFAOYSA-N 389.458 2.512 0 40 GFAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)o1 29371505 YZVKALCHPWQTLU-FZMZJTMJSA-N 376.434 2.555 0 40 GFAB COc1ccc(C(=O)CSc2nnnn2Cc2cccs2)cc1OC 29744120 ALMQEUNMURSZQX-UHFFFAOYSA-N 376.463 2.775 0 40 GFAB C[C@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 32094147 NTIXBZAMPWLWKP-JWUHVXBTSA-N 399.447 2.851 0 40 GFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCO3)CC1 32741238 ZEDDYWKIVHIOJC-UHFFFAOYSA-N 376.453 2.721 0 40 GFAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)NC(=O)c1cccs1)O[C@@H](C)C2 32869200 SQFYRAILDQLCOQ-QWHCGFSZSA-N 388.489 2.905 0 40 GFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 35375547 YYRKTOXXDWIDNM-INARBTAWSA-N 389.883 2.515 0 40 GFAB COCCCNC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 36796097 IUYYVGOJUAHLIS-UHFFFAOYSA-N 382.795 2.646 0 40 GFAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccncc3)n2)cc1OC 39995525 UYSYFXUYWHSWPC-ZDUSSCGKSA-N 382.420 2.959 0 40 GFAB CNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)o1 40089014 ACWLRFTWOCPLSK-UHFFFAOYSA-N 376.478 2.820 0 40 GFAB CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 40117505 RJGDABLUPJEITG-FUHWJXTLSA-N 382.501 2.845 0 40 GFAB CC(C)c1nnc(NC(=O)c2ccc(NC(=O)N3CCOCC3)cc2)s1 40284469 LSGPFWBQFDNINR-UHFFFAOYSA-N 375.454 2.778 0 40 GFAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 42249279 MEHLXPPTKQVUMW-INIZCTEOSA-N 379.409 2.502 0 40 GFAB COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(OC)c(OC)c3)n2)c(F)c1 44917317 SPBHKTRZXDDWND-UHFFFAOYSA-N 398.390 2.958 0 40 GFAB CSCC[C@@H]1NC(=S)N(Cc2cc(F)ccc2Br)C1=O 49241088 LRNGVLFZXNEQNE-NSHDSACASA-N 377.304 2.927 0 40 GFAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2)cc1OCC 49940289 GIHHMGVYUWHVEM-CQSZACIVSA-N 381.436 2.951 0 40 GFAB CCCCN(C)C(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473233 PWBAWQGAJAVJDM-UHFFFAOYSA-N 399.516 2.726 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3c[nH]nc3C)cc2)cc1 58130882 KCAUIWDCTIGMKY-UHFFFAOYSA-N 398.488 2.782 0 40 GFAB COc1ccc2cnn(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)c2c1OC 61717668 MIULBHMXHFGOIS-OAHLLOKOSA-N 395.459 2.551 0 40 GFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccncc1 61719171 SZGQCTJEBUBFKG-AWEZNQCLSA-N 387.871 2.594 0 40 GFAB COCCNC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2 62001662 QXUGTBKNEGTHEW-AWNIVKPZSA-N 391.464 2.714 0 40 GFAB biogenic O=C1C[C@@H](N(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CC2)C(=O)N1 65523693 ODNKNKPOVMMQHD-CYBMUJFWSA-N 392.333 2.985 0 40 GFAB CCOc1cc2c(c3[nH]c(C(=O)N4C[C@H](C(N)=O)CC[C@H]4C)cc13)O[C@H](C)C2 65603525 OCAUEIOZOLDUNZ-JHJVBQTASA-N 385.464 2.616 0 40 GFAB CN1CCN(c2ncccc2CNC(=O)N2CCC[C@H]2c2ccccc2)CC1 66891671 KPIOHTDXEWBNTN-FQEVSTJZSA-N 379.508 2.880 0 40 GFAB CN(C(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1)C1CCCCC1 71288848 WVHQPHBXPJVMIK-UHFFFAOYSA-N 382.420 2.832 0 40 GFAB O=C(c1cc[nH]n1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 72355191 XWGBNMWZQMJCJL-LJQANCHMSA-N 375.476 2.622 0 40 GFAB COCCOc1ccc(C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)cc1 72390793 FDLJERDYJHYAPI-HXUWFJFHSA-N 396.491 2.515 0 40 GFAB Cc1ccc(OC2(C(=O)NC[C@@H]3OCCc4ccccc43)CCNCC2)cc1 77472421 KJEWLGQAIVZUEO-NRFANRHFSA-N 380.488 2.926 0 40 GFAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCC(O)CC1 78821229 MJVPLUYSITTZIG-LBPRGKRZSA-N 375.296 2.724 0 40 GFAB C[S@](=O)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1F 78974800 GFALWWQAHJVOOG-AREMUKBSSA-N 377.441 2.623 0 40 GFAB CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[S@]1=O 79092547 GDRRVEBSHDDAEL-QFIPXVFZSA-N 389.848 2.890 0 40 GFAB CCC(O)(CC)CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 84727232 UTBVJLQUACMJPG-UHFFFAOYSA-N 386.496 2.776 0 40 GFAB COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc2c1OCCO2 85412055 TZWJAOQXEXULFP-AWEZNQCLSA-N 381.388 2.778 0 40 GFAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cccc(Br)c1 89774430 MJLIXYNLMQPMEB-UHFFFAOYSA-N 390.281 2.915 0 40 GFAB CC(C)(C)OC(=O)[C@](C)(O)CNS(=O)(=O)Cc1c(Cl)cccc1Cl 95943741 FGGODKMDQMWJGY-OAHLLOKOSA-N 398.308 2.506 0 40 GFAB Cn1c(CO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2F)nc2ccccc21 96111994 JXYDPRLOTCGYOJ-QAPCUYQASA-N 389.452 2.501 0 40 GFAB biogenic,in-vitro O=S(=O)(c1ccccc1F)N1CCc2onc(COc3cccnc3)c2C1 96260082 KYRIQWOLPRWFFJ-UHFFFAOYSA-N 389.408 2.535 0 40 GFAB O=C(CCn1nc2ccccn2c1=O)Nc1cnccc1Nc1ccc(F)cc1 97230839 CPDHASXDMRUIOX-UHFFFAOYSA-N 392.394 2.803 0 40 GFAB Cc1ccc(-c2noc(COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 102240526 FXNBATNSPSMXCB-CWRNSKLLSA-N 397.431 2.652 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@@H]23)cc1OC 102886592 VXPJBWYDQBVGJW-LPHOPBHVSA-N 380.400 2.613 0 40 GFAB COc1ccc([C@@H]2N(C(C)=O)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 103078668 PRDUENRFNDWVNK-YWZLYKJASA-N 388.489 2.944 0 40 GFAB CN(C)c1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cnn1 206724234 QGUFCTBQZFTELH-UHFFFAOYSA-N 394.401 2.916 0 40 GFAB Cc1ccc(OCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222557212 HGSDXOMRTRPBEJ-UHFFFAOYSA-N 388.489 2.734 0 40 GFAB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2ccccc2c1 225058952 RXMLLJFHQYMIAG-UHFFFAOYSA-N 399.424 2.891 0 40 GFAB O=C(Cc1ccccc1Br)NCCn1cnc2ccsc2c1=O 225775897 ICPRYZXURMMCPL-UHFFFAOYSA-N 392.278 2.579 0 40 GFAB O=S(=O)(c1ccccc1F)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2cccnc2)C1 248071375 YDUASYHCNSOLTH-ZSZQSSIHSA-N 376.453 2.529 0 40 GFAB CCn1ccc(NC(=O)[C@@]2(C)CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)n1 257229908 FZYUQDJONZZMRY-NRFANRHFSA-N 394.479 2.740 0 40 GFAB CO[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@]12CCCO2 257284682 PDUKEHYXRBOHBE-DOTOQJQBSA-N 383.286 2.658 0 40 GFAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(C)CC2)cc1 408680068 YKAPDFUDHQNSES-UHFFFAOYSA-N 391.471 2.962 0 40 GFAB CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3Cl)ccc21 531759439 IAAJASNICMKISD-UHFFFAOYSA-N 394.836 2.748 0 40 GFAB COc1ccc(Br)c(C(=O)N2CCC[C@@H](Oc3ccncn3)C2)c1 575608531 GIHLDTOLDRYJCX-CYBMUJFWSA-N 392.253 2.931 0 40 GFAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)n1cccn1 575613058 FGZRKUANELUNRK-HNNXBMFYSA-N 384.461 2.606 0 40 GFAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cncc(-c2ccnn2C)c1 575615475 FBLVEPSGFBNZLE-UHFFFAOYSA-N 376.869 2.922 0 40 GFAB CC(C)C[C@@H](C(=O)O)[S@@](=O)Cc1cc2c(cc1Br)OCCO2 584824301 URXYZLWYHVIUKV-FPTDNZKUSA-N 391.283 2.968 0 40 GFAB C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N(C)CC2=CCCOC2)C1=O 585099551 VUWUPPWOWOZUTM-DNVCBOLYSA-N 389.471 2.866 0 40 GFAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)NC[C@@H]1CCC2(CCCC2)O1 654539107 WXAWFEDXFHHZAN-KRWDZBQOSA-N 387.459 2.757 0 40 GFAB C[C@H](C(=O)Nc1cccc(NC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)c1)n1cccn1 663072044 ZCEKLZAFAPCRES-FEGUVQJSSA-N 396.447 2.912 0 40 GFAB COc1cccc2c1OC[C@@H](NC(=O)NC[C@@H]1C[C@H](c3ccccc3)CO1)C2 663970263 BJUTUPJIMCYKFG-FHWLQOOXSA-N 382.460 2.871 0 40 GFAB CN1CCN(C(=O)NCc2ccc(OCc3ccccc3F)cc2)CCC1=O 664679342 BBVZNRBJLJBMTG-UHFFFAOYSA-N 385.439 2.778 0 40 GFAB Cc1cccc(Cn2c(Sc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 1268158 NDGYEZAKRWIRNN-UHFFFAOYSA-N 378.457 2.931 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1Cl 2184230 ZZEXILUHBFSHFY-JRBZFYFNSA-N 397.855 2.983 0 40 GFAB biogenic CCOc1cc(-c2noc(CCCC(N)=O)n2)cc(Br)c1OC 2203456 RFNMAOWYGVYUIG-UHFFFAOYSA-N 384.230 2.714 0 40 GFAB Cc1noc(C)c1COC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 2621823 YONGGTBBLYKOGS-UHFFFAOYSA-N 393.248 2.620 0 40 GFAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 4151144 GDCZQRJGPIDFRI-UGUYLWEFSA-N 399.274 2.520 0 40 GFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3C)c2C(N)=O)C1 4274513 LJCCBUALEUEWOQ-UHFFFAOYSA-N 387.461 2.922 0 40 GFAB C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1ccccc1F 4351710 ATMRTCKTUPLOPY-LBPRGKRZSA-N 384.363 2.663 0 40 GFAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 4544002 JXJSIYNZYSYUNQ-UHFFFAOYSA-N 387.363 2.757 0 40 GFAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)OCO4)n2)cc1OC 4943829 AFFVEPOGBMYMQD-UHFFFAOYSA-N 397.387 2.755 0 40 GFAB COc1ccc(NC(=O)Cc2nc3nc(C)c(Cl)c(C)n3n2)c(OC)c1 4999391 CYCYORJLHBQWBE-UHFFFAOYSA-N 375.816 2.593 0 40 GFAB COC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 5189472 NWKLXXHSLAWFGH-UHFFFAOYSA-N 387.866 2.991 0 40 GFAB COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1F 5190301 QZWKNSPOGZHSJP-OAQYLSRUSA-N 382.391 2.801 0 40 GFAB O=C(Cc1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633223 HOKPBLXAKXCWJY-UHFFFAOYSA-N 394.880 2.542 0 40 GFAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 5867618 JWPPKNCSEBOBHY-LBPRGKRZSA-N 381.461 2.998 0 40 GFAB COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c1 6327879 ZBXGKLIFMILFSY-UHFFFAOYSA-N 376.478 2.953 0 40 GFAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1 6590832 VBHGNKXNJOEXJT-UHFFFAOYSA-N 382.493 2.574 0 40 GFAB Cc1ccc(NC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)cc1 6868338 UXZZBIMASNCWJS-UHFFFAOYSA-N 381.461 2.913 0 40 GFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCc1ccccc1 7003504 YULZBYGSJHSXSZ-UHFFFAOYSA-N 378.519 2.782 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1nc(Cl)ccc1Cl 7990738 MPMWTSTVQRULMC-UHFFFAOYSA-N 394.258 2.894 0 40 GFAB CC(=O)Nc1ccc(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)cc1 8230287 IOUVBGNSFWYRGM-UHFFFAOYSA-N 386.433 2.822 0 40 GFAB C[C@H](C(=O)NCC1CCCCC1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8324009 JICPRUUJMSSEIJ-IVZQSRNASA-N 383.492 2.855 0 40 GFAB CSCC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)c2ccccc2C1=O 8329232 PAGYUYPIRAOYSF-INIZCTEOSA-N 398.440 2.741 0 40 GFAB O=C(CSc1nnnn1Cc1cccs1)c1ccc2c(c1)OCCCO2 8339853 LQRAZNUQSTUTFV-UHFFFAOYSA-N 388.474 2.919 0 40 GFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1OC 8516339 FZDKEIZCRMUVPE-UHFFFAOYSA-N 398.868 2.583 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](C)C3)nnc12 8747138 CCEXTDFEXKMDNK-AWEZNQCLSA-N 399.520 2.805 0 40 GFAB Cc1ccc(NC(=O)NC(=O)CSc2nc([C@@H]3CCCO3)n[nH]2)c(C)c1 8981460 JRHZRBQFVXDESE-ZDUSSCGKSA-N 375.454 2.713 0 40 GFAB CSc1ccc([C@H]2N=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 9225427 XEYKIAZKFKYARX-KRWDZBQOSA-N 381.461 2.985 0 40 GFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccco1 9254734 ZTTXRYWULRRQLN-INIZCTEOSA-N 384.885 2.595 0 40 GFAB O=C(CNC(=O)NCc1ccc(F)cc1)NCc1ccc(OC(F)(F)F)cc1 9796412 OJWZTHAUYUZJOG-UHFFFAOYSA-N 399.344 2.840 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 10449891 WJVJWLWREKMMBY-UONOGXRCSA-N 376.453 2.958 0 40 GFAB Cc1cc(-c2cncnc2C2CCN(CC(=O)Nc3cc(C)on3)CC2)on1 12118314 NFLKCHQTKPRIQN-UHFFFAOYSA-N 382.424 2.555 0 40 GFAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NCCO)CCOCC1 12231534 OEUYIJMTJVLLGS-UHFFFAOYSA-N 387.451 2.949 0 40 GFAB O=C1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)CN1c1ccc2c(c1)OCO2 12416222 FSHYMIOXRUWRLZ-GFCCVEGCSA-N 393.355 2.715 0 40 GFAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccccc1 12438030 AFFSTJFSFDKYPH-YVWKXTFCSA-N 387.457 2.592 0 40 GFAB NC(=O)CSc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 12755147 OETPAAZDPNEWNE-UHFFFAOYSA-N 383.473 2.639 0 40 GFAB C[C@@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCc2ccccc21 12790121 RERHLTRKDFNSNZ-MRXNPFEDSA-N 399.516 2.861 0 40 GFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)no1 12791195 GUQUESGWFIYMFV-UHFFFAOYSA-N 397.262 2.686 0 40 GFAB COc1ccc(NC(=O)CSCC(=O)Oc2c(OC)cccc2OC)cc1 13007215 LISDEDWLQQKWEX-UHFFFAOYSA-N 391.445 2.990 0 40 GFAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1cccc2cccnc12 13096276 UAKIJKQILULUQE-UHFFFAOYSA-N 391.399 2.820 0 40 GFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 13364634 OMPRPIWZKFGOEV-UHFFFAOYSA-N 382.445 2.835 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1Cl 13943501 ZDAYPMHEJHHBKH-CYBMUJFWSA-N 388.917 2.808 0 40 GFAB CCc1nnc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)s1 15584938 XMEHKOWXOBMPGW-UHFFFAOYSA-N 389.437 2.739 0 40 GFAB CCc1nnc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)s1 15881720 KJVIRXRRXDWDBX-UHFFFAOYSA-N 387.450 2.529 0 40 GFAB CCOc1ccccc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C 16849676 CWDIXWQAWYCAKX-UHFFFAOYSA-N 395.463 2.851 0 40 GFAB CCCCc1n[nH]c(SCC(=O)Nc2nc(C)c(C(=O)OCC)s2)n1 18122418 YDZABVMABCBMGO-UHFFFAOYSA-N 383.499 2.820 0 40 GFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccc(F)c3)ncc2C1 19018221 CLXBCOWXXPDNOY-HXUWFJFHSA-N 396.466 2.817 0 40 GFAB Cc1cccc(CC(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 19234612 FKHFDKLHRWPEJB-LJQANCHMSA-N 391.519 2.860 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCc2nc(C(C)C)[nH]c(=O)c2CC1 19453743 XTLKRXMLLMRUMU-UHFFFAOYSA-N 387.480 2.520 0 40 GFAB C[C@H]1CCCCN1C(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O 19496303 MPDNGBKSBXYGJH-AWEZNQCLSA-N 381.480 2.743 0 40 GFAB CCOc1cc2c(cc1CN1CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2 19522498 YOFFNQBCEUMRIS-CQSZACIVSA-N 385.464 2.839 0 40 GFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CC2)C1 19578780 CDCDFDFPHOZRIC-QHCPKHFHSA-N 392.503 2.793 0 40 GFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)C(C)C)C3)nc2C)c1 19757876 GSPQSYIZUWZQCX-KRWDZBQOSA-N 396.491 2.696 0 40 GFAB CCNC(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935749 SXXDHBRSRMPWDV-SFHVURJKSA-N 376.478 2.583 0 40 GFAB O=C(OCC(=O)N1CCCCC1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 20856165 YLQZRTDVCBSLMV-RTBURBONSA-N 398.503 2.938 0 40 GFAB COC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 21360722 SZYDMZAIFKUBLR-UHFFFAOYSA-N 398.463 2.825 0 40 GFAB CCc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 21449725 UZQJJQFOIDRZBP-OAQYLSRUSA-N 391.515 2.946 0 40 GFAB COc1ccccc1N1CCN(C[C@@H](O)COC[C@@H](C)c2ccccc2)CC1 22608951 KIFPRKKBHVXVKI-TZIWHRDSSA-N 384.520 2.998 0 40 GFAB CC(C)(C)c1csc(CN2CCN(CC(=O)NCc3ccccc3)CC2)n1 22630545 ZDTZNWFWAYGUDT-UHFFFAOYSA-N 386.565 2.875 0 40 GFAB O=C(CSc1cccc[n+]1[O-])NC(=O)Nc1ccc(Br)cc1 22876775 PHZHEGGXLBUXBV-UHFFFAOYSA-N 382.239 2.523 0 40 GFAB O=C(NCCCN1CCCCC1)c1ccc(-n2cnc3ccccc3c2=O)cc1 23416679 AAHRECQSGZSZOQ-UHFFFAOYSA-N 390.487 2.992 0 40 GFAB C[C@@H]1CN(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CCO1 24844017 BJPYZJACRHYCLV-CYBMUJFWSA-N 390.871 2.602 0 40 GFAB COc1cccc([C@H](NS(=O)(=O)c2ccc(F)cc2C)c2nccn2C)c1 25043740 UNJQQUXFMDFMSK-SFHVURJKSA-N 389.452 2.944 0 40 GFAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 25460950 GYRCXNPQRIRONK-UHFFFAOYSA-N 392.452 2.726 0 40 GFAB C/C(Cl)=C\Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 26743478 LEPWNUWRQOBYTD-DHZHZOJOSA-N 376.869 2.858 0 40 GFAB Cc1ccsc1C=C(C(=O)NCc1cccnc1)C(=O)NCc1cccnc1 26962745 KPBSJPDCQSBQPR-UHFFFAOYSA-N 392.484 2.863 0 40 GFAB CCCn1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O 27049913 ZACBIMKKKWTERU-UHFFFAOYSA-N 390.487 2.765 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1 27358400 GQLLBLMKJZJRKW-KRWDZBQOSA-N 383.448 2.920 0 40 GFAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCN1CCc2ccccc2C1 30320091 LJJQDBQJMKZDMB-UHFFFAOYSA-N 385.895 2.634 0 40 GFAB O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 30335984 IZQUZCMSCYJFLF-IBGZPJMESA-N 394.924 2.833 0 40 GFAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1Cl 32815678 PWLOSFRSKNPSRF-UHFFFAOYSA-N 384.841 2.515 0 40 GFAB NC(=O)c1ccc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)nc1 32916297 XSWVIEGGIXWZJF-UHFFFAOYSA-N 397.866 2.811 0 40 GFAB CC(C)C[C@H]1CC(=O)N(C2(C(=O)NCc3cccnc3)CCSCC2)C1 33436027 LITPJVYDNGNCKJ-KRWDZBQOSA-N 375.538 2.858 0 40 GFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 33759384 XPTCRFGKSMVGCL-UHFFFAOYSA-N 394.537 2.663 0 40 GFAB CCn1ccc(-c2cc(C(=O)N(C)Cc3ccnn3CC)c3c(C)noc3n2)n1 36617967 QCTZIZVZUXBTLT-UHFFFAOYSA-N 393.451 2.903 0 40 GFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)C(=O)N1CCc2ccccc21 40106242 WPUNVUUQKUOBBU-HNNXBMFYSA-N 395.484 2.831 0 40 GFAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 40144019 BQRLFJCTEVKJDM-SNVBAGLBSA-N 394.324 2.966 0 40 GFAB Cc1cc(C)n(CCCNC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 40160401 MYLLWPHIRWTZQU-SFHVURJKSA-N 392.450 2.739 0 40 GFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 40478529 IFSPFGPZZLVHID-UHFFFAOYSA-N 387.386 2.880 0 40 GFAB Cc1oc(C(=O)N[C@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCC1 42397427 BYKGKISOKBZVST-HNNXBMFYSA-N 390.461 2.626 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(C)C[C@H]1COc2ccccc2O1 43829671 JQDPGHVDQVLBNO-AWEZNQCLSA-N 390.461 2.702 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 46454918 BJOGSALNMVFNTA-UHFFFAOYSA-N 383.372 2.813 0 40 GFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(Br)o2)c1 46722523 WKGDGNRPEJTTLS-UHFFFAOYSA-N 390.255 2.880 0 40 GFAB Cc1nn(C)c2ncc(NC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)cc12 48340158 FXZDIMLCBSKFBZ-QGZVFWFLSA-N 391.431 2.536 0 40 GFAB COc1ccccc1C(=O)N1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 55708688 JTLOQNIFWJLIOK-QGZVFWFLSA-N 385.291 2.954 0 40 GFAB COc1ccccc1CN1C[C@H](C(=O)Nc2nnc(C3CCC3)s2)CC1=O 61717677 CGLSUAXZAUSRGY-CQSZACIVSA-N 386.477 2.801 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)c1 67263143 CSEPEAJOERTFBZ-UHFFFAOYSA-N 395.438 2.686 0 40 GFAB CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCSCC3)nc2N)cc1 71771664 WCVJYGRPCQDUMU-UHFFFAOYSA-N 378.523 2.568 0 40 GFAB NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1cc(Cl)sc1Cl 71822077 CMIRFRJJNDKJNR-SECBINFHSA-N 386.260 2.650 0 40 GFAB CN1C(=O)C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1 72242141 XJVZPRLGSXQGPH-FPOVZHCZSA-N 397.450 2.820 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(=O)c2c(C)nn(C)c2[nH]1 72312536 VGQKENWVYDXCBL-UHFFFAOYSA-N 396.447 2.797 0 40 GFAB CN1CCn2c(nnc2[C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)C1 72373878 DZMVTRJOLQZNDV-INIZCTEOSA-N 384.484 2.737 0 40 GFAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 77184830 PUAQYDXDEQBIQO-QGZVFWFLSA-N 387.860 2.760 0 40 GFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 79192306 UXXXQWHAZXLVOP-LPHOPBHVSA-N 380.352 2.978 0 40 GFAB biogenic CC(C)CN1CCO[C@H](COC(=O)c2csc(Nc3ccccn3)n2)C1 95398700 CIXMLQCOCUMRFX-AWEZNQCLSA-N 376.482 2.795 0 40 GFAB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCN2C(=O)CC[C@@H]2C1 95451975 BXTJNKCGVLGTPN-CQSZACIVSA-N 384.457 2.633 0 40 GFAB NC(=O)CC1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 95958273 YMUSRABLNIOGID-UHFFFAOYSA-N 393.285 2.510 0 40 GFAB O=C(c1nc[nH]n1)N1CCC2(CC1)CN(Cc1ccco1)Cc1ccccc12 96079565 UEEMPYNMJKINNA-UHFFFAOYSA-N 377.448 2.588 0 40 GFAB CCNC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96143107 QGKJYRKSCLISNF-FQEVSTJZSA-N 385.489 2.522 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(Cl)sc3C)CC2)cc1 96223936 VADQOVZIWMSKPB-UHFFFAOYSA-N 399.925 2.560 0 40 GFAB O=C(Nc1nncs1)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O 100630014 UQGFOHCNHIVQCO-UHFFFAOYSA-N 378.413 2.859 0 40 GFAB O=S(=O)(NC1=NCCC1)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 104747841 DRCBKVXZACESLO-XEZPLFJOSA-N 392.550 2.632 0 40 GFAB CCc1nccn1[C@@H]1CCCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1 106212115 NBKFAZXLCWTBOJ-CQSZACIVSA-N 397.479 2.536 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)c1C 117540560 FJZWXQQINKYMGB-UHFFFAOYSA-N 389.521 2.865 0 40 GFAB CCOC(=O)[C@@H]1C[C@@]2(C)[C@@H](O)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 212415965 ZJRZYKZLCWIHRO-HLNWXESRSA-N 395.521 2.631 0 40 GFAB O=C(O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NC2CCCCC2)c1 217448819 RBOGYNNKAZJZPZ-HNNXBMFYSA-N 382.482 2.587 0 40 GFAB COc1cccc(N([C@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 220170628 CHOQQRHUUAEIDJ-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCOC)c1ccccc1 223545321 HKEDWXMXIDFGQS-NRFANRHFSA-N 384.476 2.938 0 40 GFAB CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 224157049 VPJHEJSTMNBZCQ-HNNXBMFYSA-N 390.505 2.901 0 40 GFAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 225420261 FDABIEFJFTUSSB-UHFFFAOYSA-N 390.461 2.674 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(C)cc3)ccc21 225696098 VEYDXFPIINMNOB-UHFFFAOYSA-N 392.502 2.749 0 40 GFAB CCOC(=O)[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242463722 DIILFAYCTWVVDP-JZXOWHBKSA-N 379.865 2.540 0 40 GFAB CCCCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 243479354 NNRGGRPOJVNOLC-UHFFFAOYSA-N 390.505 2.948 0 40 GFAB Cc1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1C 244933251 CJDSAIBMRFAJSB-HXUWFJFHSA-N 384.457 2.949 0 40 GFAB O=C(O)COc1ccccc1CN1CCC[C@H](c2cncc(-c3ncc[nH]3)n2)C1 257285213 PGCWTFFTUVRRQY-HNNXBMFYSA-N 393.447 2.710 0 40 GFAB Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1C 257315818 VCXBPQGPMPWMGE-INIZCTEOSA-N 376.464 2.675 0 40 GFAB O=C(c1ccncc1)N1CCC(n2cnc3ncc(-c4cccnc4)nc32)CC1 306135725 OYVLXHUZVGPQOX-UHFFFAOYSA-N 385.431 2.761 0 40 GFAB CCS(=O)(=O)N1CCC[C@H](c2nc3ccc(NCc4ccccc4)cn3n2)C1 306139305 SUGHTTWCSGWHNH-KRWDZBQOSA-N 399.520 2.871 0 40 GFAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562108 XWEMPBGHULIKEE-CHWSQXEVSA-N 388.917 2.664 0 40 GFAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(=O)O 409204109 BIBGGMVXWSUPFM-MHWRWJLKSA-N 396.399 2.642 0 40 GFAB O=C(CCn1cnccc1=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 556770082 NNRCXXSVSGWJCS-GOSISDBHSA-N 377.448 2.777 0 40 GFAB COCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cccn2C1 585095459 ROPRIEYBOFVJGB-INIZCTEOSA-N 378.494 2.662 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1COc2ccccc2C1 613951019 LDZDCRBVXYBXGS-FQEVSTJZSA-N 392.499 2.978 0 40 GFAB COc1cc(Br)c(CNC(=O)[C@@]2(C(=O)O)CC2(C)C)cc1OC 663088780 MLLPOUIOPUPAMR-MRXNPFEDSA-N 386.242 2.583 0 40 GFAB COc1ncccc1C(=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087139731 WJPBUKLRXPOSDK-SWLSCSKDSA-N 392.381 2.855 0 40 GFAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2Cl)c1 24242617 GVJWZPAEQLEAOR-UHFFFAOYSA-N 392.861 2.530 0 40 GFAB Cc1ccc2cc(CN(CCO)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 1224180 AGXSJEAFSHHXBE-UHFFFAOYSA-N 381.501 2.706 0 40 GFAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(F)cc1F 3504880 BGQLICKTNWUTHM-OAHLLOKOSA-N 392.383 2.950 0 40 GFAB COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)c(OC)c1 4106280 HAYBDGRGVKALTG-AREMUKBSSA-N 377.466 2.670 0 40 GFAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 4387549 YGMQTFAWIBFVRZ-OJXGSEEGSA-N 378.350 2.841 0 40 GFAB CC(C)(C)c1nnc2sc(SCC(=O)c3ccc(F)cc3)nn2c1=O 4569843 CJLNGMVKHBEZDR-UHFFFAOYSA-N 378.454 2.958 0 40 GFAB COC(=O)c1ccc(F)c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1 26501059 XIELSCGAAXNBNE-UHFFFAOYSA-N 399.353 2.858 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100864605 DVKNLPLLTBOOFE-NRJQMVOHSA-N 394.427 2.830 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102223886 AXMBKMAQAXZRRI-AJHHTPGJSA-N 380.448 2.619 0 40 GFAB O=C1COc2cc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)c(Cl)cc2N1 58009112 QHYYUJOBAVSGAC-GFCCVEGCSA-N 378.860 2.763 0 40 GFAB CCN(CC(=O)Nc1cc(C(=O)OC)ccc1C)Cc1ccc2c(c1)OCO2 11351514 HCBLJBYAPTXOTM-UHFFFAOYSA-N 384.432 2.971 0 40 GFAB C[C@@H](NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1 28904287 TYVMPVNSDMJOII-OAHLLOKOSA-N 378.469 2.697 0 40 GFAB COc1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1OC 2647256 WVSFDNZPWGOGLR-HNNXBMFYSA-N 377.466 2.516 0 40 GFAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)N1CCCN(c4ccccn4)CC1)(C3)C2 100731060 FMHJZUBBABWOPQ-WSUXWNOTSA-N 396.535 2.595 0 40 GFAB Cc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1 100738276 XDXMEFXISZGGRX-WOJBJXKFSA-N 379.504 2.987 0 40 GFAB CCN(C(=O)CSc1cc(C)c2cccc(C)c2n1)[C@@H]1CCS(=O)(=O)C1 3381903 OXSZFZUDVOWEFG-OAHLLOKOSA-N 392.546 2.979 0 40 GFAB CCOc1cc2c(cc1NC(=O)c1nn(C)c(=O)c3ccccc13)O[C@H](C)C2 12818997 VSEONWOINXODKP-GFCCVEGCSA-N 379.416 2.908 0 40 GFAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cnn(C)c1 95998565 XBGMXTMTIQAWBB-SFHVURJKSA-N 383.427 2.575 0 40 GFAB COc1ccc(OCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 12991822 JICUJPNMWIUKFJ-UHFFFAOYSA-N 383.853 2.561 0 40 GFAB Cc1nc(SCC(=O)NC(=O)Nc2ccccc2F)c(C(N)=O)c(C)c1C 12940487 KWFCFDNGBPBSMM-UHFFFAOYSA-N 390.440 2.685 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c(C)c1 12971991 FYJJPWOTJQNZCY-OAHLLOKOSA-N 385.430 2.941 0 40 GFAB COCCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 12977473 MDBHWCNAXAVUHN-UHFFFAOYSA-N 398.506 2.552 0 40 GFAB CN1CCN(C(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)CC1 19790599 LTSQSTMEVNPZQL-QINSGFPZSA-N 393.896 2.540 0 40 GFAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(N2CCCCC2)cc1 5280521 XBJTTXNUKLOAKF-UHFFFAOYSA-N 378.436 2.670 0 40 GFAB O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1 4677118 YEXWWGUQQDDKFK-UHFFFAOYSA-N 395.478 2.839 0 40 GFAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6606290 JZDBVIZCNBMYLT-ZCFIWIBFSA-N 382.421 2.908 0 40 GFAB COCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 6792230 ZLTLJSDGTUPQMG-VFNWGFHPSA-N 391.471 2.875 0 40 GFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2c(c1)OCCO2 4806888 DSWYOFSDJIJUGD-UHFFFAOYSA-N 396.424 2.758 0 40 GFAB COc1cccc(N2CCN(C(=O)c3cncc(Br)c3)CC2)c1 6822747 NAHXTGILINOGBX-UHFFFAOYSA-N 376.254 2.815 0 40 GFAB COC(=O)COc1ccc(NC(=O)COc2ccc(F)cc2)c2cccnc12 95426563 ZRYAEAOQZDFAOZ-UHFFFAOYSA-N 384.363 2.943 0 40 GFAB COc1cc(CN2CCCC[C@H]2c2ncc[nH]2)cc(Cl)c1OCC(N)=O 92728916 IESILMATYRGLMF-AWEZNQCLSA-N 378.860 2.663 0 40 GFAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1 84811626 QZXVUZMCECKFSE-YVEFUNNKSA-N 376.434 2.615 0 40 GFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(F)cc1 20636738 PZPLRGQCASCTNS-OALUTQOASA-N 395.434 2.590 0 40 GFAB O=C(N[C@H]1CCO[C@@H]1C1CC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 89781054 ZLNHYEVQQZUZKE-RBUKOAKNSA-N 392.521 2.549 0 40 GFAB O=C(Cn1cc(C(=O)O)cn1)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 20602600 LFWACBWXEKUFCW-UHFFFAOYSA-N 394.218 2.772 0 40 GFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 27232900 FTLOEEDJVKQLDI-KRWDZBQOSA-N 379.460 2.812 0 40 GFAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)NCCCCCC(=O)O)C(=O)[C@@H]2C1 408685147 QEXZSFXQVXFYDA-NVXWUHKLSA-N 398.459 2.907 0 40 GFAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccncc2)ccc1OCC 408585648 HUNIZIYPIUIJLR-UHFFFAOYSA-N 379.438 2.527 0 40 GFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)cc1 33792627 BIDGHUMUEIXGEB-UHFFFAOYSA-N 392.477 2.647 0 40 GFAB COc1cc(/C=C/C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc(OC)c1 32902853 MGRPKLNOCNAVNK-COAGQGPPSA-N 376.497 2.721 0 40 GFAB Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)oc2c1 15955506 JKTAMJMOMNPXKG-LJQANCHMSA-N 381.384 2.600 0 40 GFAB biogenic CCOc1ccc(NC(=O)COc2c(OC)cc(C(=O)O)cc2OC)cc1 217733443 JCTJUEHDJKJUGS-UHFFFAOYSA-N 375.377 2.818 0 40 GFAB O=C(Nc1ccc2c([C@H](C(=O)O)N3CCOCC3)c[nH]c2c1)c1ccccc1 31810187 NMBVFSKTEVIAMW-LJQANCHMSA-N 379.416 2.878 0 40 GFAB COc1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1Br 32739252 SOWBVORFEYWTBD-UHFFFAOYSA-N 375.182 2.653 0 40 GFAB CCCCOc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1 224202620 BMGLRLMRWBFSKV-UHFFFAOYSA-N 390.509 2.734 0 40 GFAB Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(-c2ccc(F)cc2)n1 49401354 NCXSUUFUBNGICJ-UHFFFAOYSA-N 395.369 2.783 0 40 GFAB Cc1ccc(C2(CNC(=O)N3CCN(C)[C@@H](c4nc(C)no4)C3)CC2)c(C)c1 569074226 MCWKRNYAEMZIRU-GOSISDBHSA-N 383.496 2.725 0 40 GFAB C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 226062259 CQOVWFCNQVTHJC-AWEZNQCLSA-N 376.453 2.565 0 40 GFAB CCc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 223243584 VFRZUOZIFBAREL-UHFFFAOYSA-N 376.478 2.825 0 40 GFAB Cc1nn2c(nnc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40396008 VKGUQSQQQYKQCL-UHFFFAOYSA-N 397.822 2.933 0 40 GFAB CN1CCN(Cc2nc(C3(O)CCN(CC4CCCCC4)CC3)cs2)CC1 225471552 RIVSLPZSVJWPBK-UHFFFAOYSA-N 392.613 2.754 0 40 GFAB biogenic,in-vitro CC(C)(C)NC(=O)[C@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 199411574 OMUXVPLVEAEGDK-HNNXBMFYSA-N 391.265 2.950 0 40 GFAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3cc(F)ccc3F)ccc2NC1=O 96182275 HMWZBMPSBVUEPI-LJQANCHMSA-N 390.342 2.870 0 40 GFAB COc1ccc(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1 95478447 CBJCMQLDMUEQIG-MRXNPFEDSA-N 379.464 2.542 0 40 GFAB C[C@H](c1nnnn1-c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 94992594 VTUYFZLIQBDMAI-SNVBAGLBSA-N 398.220 2.782 0 40 GFAB COCCNCc1cnc(C)c2oc(C(=O)c3ccc4c(c3)OCCO4)cc12 95480152 CHQJZSUFGNPPTN-UHFFFAOYSA-N 382.416 2.874 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 247892291 NHEFEMDADZMEIE-LFUKPOHLSA-N 388.508 2.793 0 40 GFAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)c3ccn(C)n3)CC2)ncn1 257237278 HFVJEYLJZDOFSK-INIZCTEOSA-N 394.479 2.967 0 40 GFAB Cn1ccnc1-c1cc(C[C@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)ncn1 257320432 VWUDCXLOVFUUER-CYBMUJFWSA-N 383.402 2.860 0 40 GFAB CCCC[C@H]1Oc2ccc(S(=O)(=O)NCc3csc(C)n3)cc2NC1=O 252489335 JOKYMBFYDVALEN-MRXNPFEDSA-N 395.506 2.820 0 40 GFAB C[C@@H]1CN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CC[C@H]1C(=O)O 626751660 VCVAIDFOXQTQAU-RDTXWAMCSA-N 396.447 2.586 0 40 GFAB C[C@@H](NC(=O)C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1 90583452 GIDILNFNYHKPGG-QGZVFWFLSA-N 376.460 2.934 0 40 GFAB COc1ccccc1[C@H]1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)C1 606336123 FQHWJQKEKVRFAK-HNNXBMFYSA-N 377.444 2.765 0 40 GFAB CCc1noc(C2(NC(=O)COc3ccc4c(c3)CCCC4)CCOCC2)n1 585141669 FBQOSSMMJLPLCA-UHFFFAOYSA-N 385.464 2.712 0 40 GFAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1 27393075 QQAZMPNMTKCOBC-SFHVURJKSA-N 389.473 2.980 0 40 GFAB CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCCO)cc1 585270416 WCYRTZYMEHOTAI-IBGZPJMESA-N 389.492 2.718 0 40 GFAB O=C(NCCOc1ccc2c(c1)OCO2)[C@@H]1CCCN1Cc1ccc(F)cc1 72310073 DXCHWYXEPXHUQX-SFHVURJKSA-N 386.423 2.714 0 40 GFAB CCOC(=O)[C@H](C)NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 58181458 QITYRTWIFQNILM-NSHDSACASA-N 377.359 2.637 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)no1 1615132081 WXXSKEGPMRWJIE-HXUWFJFHSA-N 387.411 2.550 0 40 GFAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)nc2n1 5021464 VFJJBAZQDMTGPH-UHFFFAOYSA-N 393.325 2.555 0 40 GFAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 5887803 JFXNHDJQVGHNIJ-UHFFFAOYSA-N 383.477 2.574 0 40 GFAB COc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)NCCc1ccccc1 13581725 RCTLILVUUMDDFD-UHFFFAOYSA-N 390.505 2.602 0 40 GFAB COCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCC1 13658079 QQJNEBNEIKEFPM-UHFFFAOYSA-N 398.536 2.851 0 40 GFAB COc1cccc(CCNCc2cc3c(OC)ccc(OC)c3[nH]c2=O)c1OC 13998911 FAFHTHBTHFUDQS-UHFFFAOYSA-N 398.459 2.895 0 40 GFAB COCC(=O)N1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 19704592 NTIJOSTXVVTQNW-LBPRGKRZSA-N 383.370 2.970 0 40 GFAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cc2ccccc2s1 225619797 CFRMYIBLEJRTSH-UHFFFAOYSA-N 378.519 2.835 0 40 GFAB CCN(CC)C(=O)[C@@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 12142634 OCXWZUVBWQOLOY-QGZVFWFLSA-N 387.524 2.551 0 40 GFAB CCCn1ncc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c1C 19525941 MFUDMNKADUNYJB-INIZCTEOSA-N 376.526 2.780 0 40 GFAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCN(c2ccccc2)CC1 5939797 NJCXZJZMDLCRQH-UHFFFAOYSA-N 390.487 2.752 0 40 GFAB O=C(CN1CCC[C@@](O)(COc2ccccc2)CC1)N1CCc2ccccc21 2037915965 FANNFXCCWDBPCQ-QHCPKHFHSA-N 380.488 2.872 0 40 GFAB CCN(CC)c1ccc(CNC(=O)c2ccnc(OC3CCOCC3)c2)cn1 253403170 PKUOKOCHQARHRV-UHFFFAOYSA-N 384.480 2.811 0 40 GFAB Cc1cccc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)c1 2087046251 CAHXZSRDDTUHLR-GOSISDBHSA-N 378.480 2.640 0 40 GFAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1Cl 2952319 JCXKKJGDXUSRCI-UHFFFAOYSA-N 385.851 2.830 0 40 GFAB COc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1OC 23127590 ZHYFQNCMGXRPCJ-UHFFFAOYSA-N 382.526 2.637 0 40 GFAB Cc1cccn2c(=O)cc(OCC(=O)N3CCC(Cc4ccccc4)CC3)nc12 23141366 CLXHCEJWFHGJSA-UHFFFAOYSA-N 391.471 2.863 0 40 GFAB COc1ccc(CNC(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1 38677252 QIHIEIOTYQESFP-UHFFFAOYSA-N 393.491 2.609 0 40 GFAB COc1ccccc1-c1cc(C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)n[nH]1 575611183 BMCHPQYMJLVIRG-AWEZNQCLSA-N 397.410 2.698 0 40 GFAB C[C@@H](NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 585148172 QHWXFNGLTDYWPM-DNVCBOLYSA-N 378.428 2.974 0 40 GFAB Cc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccccc4)no3)c2N)c(C)c1 6816857 MBPWSYQPMXBTDK-UHFFFAOYSA-N 389.419 2.833 0 40 GFAB COc1cc(Cl)c(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)cc1OC 40057616 QVTLYKTZXCHDLO-UHFFFAOYSA-N 376.796 2.817 0 40 GFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)c1cccnc1 40043379 NPWHTHZENCREEE-SECBINFHSA-N 378.358 2.575 0 40 GFAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCCN(Cc2ccccc2)C1 50026658 XKGJWDYLFMYGMF-FQEVSTJZSA-N 375.476 2.796 0 40 GFAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCOc3ccc4ccccc4c3)cc21 30446536 QYBUPTFNBBIPST-UHFFFAOYSA-N 376.412 2.856 0 40 GFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]23)cc1OC 100429734 VXPJBWYDQBVGJW-APWZRJJASA-N 380.400 2.613 0 40 GFAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCC(F)(F)F 31613921 QCANYQAZGUKCAQ-UHFFFAOYSA-N 394.378 2.551 0 40 GFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(S(=O)(=O)c2ccccc2)cc1 101007649 NQTONIPXSJDBHR-KODHJQJWSA-N 379.437 2.831 0 40 GFAB COc1cc(CCC(=O)Nc2ccc(-c3nc4nnc(C)n4s3)cc2)on1 20721316 ZWXAUHZUMPFVCO-UHFFFAOYSA-N 384.421 2.729 0 40 GFAB Cc1c(-c2ccccc2)oc2c(/C(O)=N/S(=O)(=O)N(C)C)cccc2c1=O 52767791 SDFBVRKLPATEGD-UHFFFAOYSA-N 386.429 2.879 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1 796226 WSNSPBPLHVPDHP-UHFFFAOYSA-N 387.505 2.773 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc(F)cc2)c1 932374 BMLJNPODIBKVTF-UHFFFAOYSA-N 389.412 2.549 0 40 GFAB CCS(=O)(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@H](C)C4)CC1 1377138 SIACMVVQQRIBRH-LBPRGKRZSA-N 394.566 2.596 0 40 GFAB COc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccnc4)C3=O)co2)cc1 79015355 UZJQDXXOIMSCOW-FQEVSTJZSA-N 378.388 2.712 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 4308543 UJFXTXXNCICYCM-JOCHJYFZSA-N 395.434 2.568 0 40 GFAB CN(CC(=O)N(C)C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 25794271 SFIUKMQFAAJYKH-AWEZNQCLSA-N 390.534 2.507 0 40 GFAB COc1ccc(Cl)cc1NC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 12529756 NJOZUVOOSWLRMN-CQSZACIVSA-N 377.750 2.861 0 40 GFAB CCOc1cc(C(=O)N2CCCC2)cc(I)c1OC 6844716 REJMFHBOLAKNDY-UHFFFAOYSA-N 375.206 2.935 0 40 GFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)cc1C(N)=O 7022827 VUHRVEMNNLHKPD-NSHDSACASA-N 387.823 2.582 0 40 GFAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(OC(F)F)cc2)n2nnnc2N1 7736287 FEPARZXMVDTXTH-CYBMUJFWSA-N 379.367 2.905 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C(=O)N1CCCC1)c1ccccc1 35388076 HTIRHJOEHOEFGN-HXUWFJFHSA-N 376.460 2.719 0 40 GFAB Cc1cc(C)n(CCCNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 57377169 ZPXGYIWQRDKKJH-UHFFFAOYSA-N 386.540 2.729 0 40 GFAB CCOc1ccc(N([C@@H](C)C(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1 10286021 JRCNDKPXULILLY-HNNXBMFYSA-N 376.478 2.903 0 40 GFAB O=S(=O)(CCSc1nc2ncccn2n1)c1cc(Cl)ccc1Cl 10080134 TVJNTVAODXUBKB-UHFFFAOYSA-N 389.289 2.997 0 40 GFAB COc1ccc([C@H]2C=C(c3ccccc3)Nc3[nH]c(=O)[nH]c(=O)c32)cc1OC 103526809 MAUSUAGJSHGEKZ-CQSZACIVSA-N 377.400 2.679 0 40 GFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc(F)cc2)n2nnnc2N3)c1 10296863 AJPANXRGGKTFLK-KRWDZBQOSA-N 391.366 2.678 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc1 105874013 FFEDYXXYQDKDCV-YVLHZVERSA-N 379.416 2.849 0 40 GFAB CNC(=S)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 2282214 PFIFNMIOQYNHRH-QGZVFWFLSA-N 385.464 2.507 0 40 GFAB CCn1nccc1CN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(C)c1C 36615307 VLKANXWCQQSARI-UHFFFAOYSA-N 387.509 2.644 0 40 GFAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)NC(C)(C)C1 29788091 WRZSABAPEVHHIX-AWEZNQCLSA-N 381.542 2.557 0 40 GFAB COc1cc(OC)c(C2=CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)c(OC)c1 11918691 SOKZBTPILBJNMO-UHFFFAOYSA-N 394.431 2.913 0 40 GFAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 24184324 VWHBQROREUTHAN-VXGBXAGGSA-N 378.416 2.932 0 40 GFAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)Cn1cccn1 47420731 UMNVERFDGYYMPR-UONOGXRCSA-N 394.397 2.707 0 40 GFAB CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 105936528 ZBJLFNXGNGXHHP-LJQANCHMSA-N 387.911 2.650 0 40 GFAB Cc1ccsc1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3316996 MPCYYQWIKJIOCG-UHFFFAOYSA-N 385.445 2.650 0 40 GFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 3309880 BZNYUWCCLYOEIQ-FQEVSTJZSA-N 375.444 2.822 0 40 GFAB O=C(O)/C=C/c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 12940792 YCJZPXSKEUSTGA-VEGGFIAOSA-N 378.428 2.814 0 40 GFAB CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1 12923917 PWPXUBHNPLZQQR-UHFFFAOYSA-N 394.479 2.983 0 40 GFAB CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1 13687114 FZQZMAPQGYNQTN-UHFFFAOYSA-N 375.479 2.622 0 40 GFAB C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cn1 5053639 FGPMUUURYRZYRB-SECBINFHSA-N 376.829 2.536 0 40 GFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20040883 ZGLNLLGVJRYTHP-UHFFFAOYSA-N 388.445 2.593 0 40 GFAB O=C(Cn1cnc2sc3c(c2c1=O)CCSC3)NCc1ccc(F)cc1 14110711 REYDLFCZNZXIOH-UHFFFAOYSA-N 389.477 2.703 0 40 GFAB CCN(CC)c1ccc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 14104912 RQNUBKIAEGAHAM-UHFFFAOYSA-N 380.448 2.837 0 40 GFAB O=C(CN1CCN(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)CC1)NC1CC1 14138969 ZEGHQYPXICWXSK-CSKARUKUSA-N 397.450 2.522 0 40 GFAB COc1cc(C(=O)NC[C@@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O 14484664 UYLIZMFLAZQZNH-GFCCVEGCSA-N 376.840 2.746 0 40 GFAB COc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1Br 4660792 LDNMNIRTCCNIKN-UHFFFAOYSA-N 386.223 2.957 0 40 GFAB CC(C)N(C(=O)[C@H](C)OC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(C)C 21620461 GTEUKHQCVYJVER-AWEZNQCLSA-N 399.447 2.720 0 40 GFAB COCCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(C)c1C 7293083 FGOSGPCIKILUSG-UHFFFAOYSA-N 387.455 2.968 0 40 GFAB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1Cl 8007574 WZKHJWQPCAYNKW-UHFFFAOYSA-N 383.835 2.659 0 40 GFAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2c1C 8734260 PXZQLCGHEVLQHY-UHFFFAOYSA-N 385.489 2.965 0 40 GFAB CCOc1ccc(CC(=O)OCC(=O)NCc2cccc(OC)c2OC)cc1 72333716 NBLBKCLNIIQVRK-UHFFFAOYSA-N 387.432 2.505 0 40 GFAB O=C(O)c1nccnc1C(=O)Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1 72400807 XWMQSQWNWVGUFS-UHFFFAOYSA-N 379.250 2.552 0 40 GFAB COC(=O)C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1 26894793 PVONOPHPYDOXPB-OAHLLOKOSA-N 380.444 2.772 0 40 GFAB Cc1ccc(C)c([C@H](C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 25638026 QIQDRYYUJPFVDT-INIZCTEOSA-N 375.494 2.892 0 40 GFAB c1cc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)ccn1 35425308 DARCGBYMQPGWPG-SFHVURJKSA-N 392.463 2.700 0 40 GFAB biogenic,in-vitro O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc(Cn2ccnc2)cc1 70655828 IFEIQGJVVHJOLE-UHFFFAOYSA-N 399.454 2.585 0 40 GFAB COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 408558230 IUOOBZLEJVJXAZ-NSHDSACASA-N 398.868 2.663 0 40 GFAB CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1 32759978 IIWYAMLLINGIRA-CYBMUJFWSA-N 377.876 2.603 0 40 GFAB O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 524734526 OBUUHCNUQXNQSJ-UHFFFAOYSA-N 380.448 2.997 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 30851221 AJFMDTNISDWPJP-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1C 408619008 HMPQAUAHBMCASE-LBPRGKRZSA-N 398.431 2.977 0 40 GFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c1 32602351 QXKUPYSSSLFPMM-UHFFFAOYSA-N 390.461 2.721 0 40 GFAB COc1ccccc1N1C[C@H](C(=O)N2CCOc3ccc(C)cc3C2)CC1=O 553176362 YRQZSLYMMTWGMC-QGZVFWFLSA-N 380.444 2.778 0 40 GFAB COC(=O)c1ccc(CS(=O)(=O)NCCCc2cccc(OC)c2)cc1 30855005 XFQVEUDHGYIJFO-UHFFFAOYSA-N 377.462 2.534 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(s3)C(=O)NCCC4)c2O1 211128266 AARMQEBRIWYMAE-UHFFFAOYSA-N 387.461 2.550 0 40 GFAB CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NC2(c4cccc(F)c4)CCCC2)[C@@H]3C1=O 72346526 RISPHMWWMLWOKF-XWQURZDVSA-N 398.478 2.902 0 40 GFAB COC(=O)Cc1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)cc1 225220870 OROBSEIGQRGGMI-UHFFFAOYSA-N 399.516 2.622 0 40 GFAB COC(=O)c1cn(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc12 222590409 OLDDWNKQXATVCM-UHFFFAOYSA-N 386.429 2.512 0 40 GFAB COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)c1 48179234 FFGIAIXAZLKOIL-SNVBAGLBSA-N 397.294 2.954 0 40 GFAB CCc1nc2cc(C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)ccc2n1C 225895395 RWWHTGKPHFEXLB-UHFFFAOYSA-N 386.477 2.605 0 40 GFAB CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224818550 SJLWNGYMWYCYBW-UHFFFAOYSA-N 391.445 2.525 0 40 GFAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224857997 YEAQFLWVKFOVSA-UHFFFAOYSA-N 399.852 2.726 0 40 GFAB CC(=O)c1cccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 223877557 OIWRLNQDCLSVKE-OAHLLOKOSA-N 388.489 2.575 0 40 GFAB O=C(NCCOc1ccccc1)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 77200923 VXQGHPGJJIKALA-CMDGGOBGSA-N 397.475 2.910 0 40 GFAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1N1CCCC1=O 224377320 SJJXXZVQRIWVBU-OAHLLOKOSA-N 388.489 2.904 0 40 GFAB O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCCc2ccccc21 48375219 OEPLXWNMUMXSLK-HXUWFJFHSA-N 384.501 2.864 0 40 GFAB O=C(COc1ccccc1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819902 GZZURFFABKUTNQ-UHFFFAOYSA-N 393.443 2.525 0 40 GFAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(SCC(=O)OC)s1 225672266 UJCPVVIKVXYWOA-JTQLQIEISA-N 397.478 2.608 0 40 GFAB O=C(NC1(c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)c2ccccc21 579454918 IUXWZLDOLDWSMW-SFHVURJKSA-N 385.485 2.770 0 40 GFAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 96076236 YWUQAUHYHWUCHU-FQEVSTJZSA-N 390.915 2.951 0 40 GFAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc(F)c1 96520160 ZUJKRYORPCJBLT-UWVGGRQHSA-N 392.617 2.621 0 40 GFAB Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)Nc1ccc(OC(F)F)nc1 585080635 VYRUWZPBENGRND-CYBMUJFWSA-N 396.394 2.925 0 40 GFAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCN3CCCC3)CCO2)n1 257290601 QDNVFUDVZSHOAE-HXUWFJFHSA-N 398.507 2.993 0 40 GFAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4nonc4N)C3)c2)c1 257207888 BJUGLSYIEXNITK-ZDUSSCGKSA-N 394.435 2.737 0 40 GFAB CCCC[C@@H](CC)CNC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 260844159 GAELDFHBPUGZOT-CRAIPNDOSA-N 382.526 2.936 0 40 GFAB CN1CCO[C@@H](CNC(=O)NCc2cccc3ccsc23)[C@@H]1c1cnn(C)c1 661348389 BBWTXYIAJBKJCZ-ROUUACIJSA-N 399.520 2.506 0 40 GFAB COC(=O)c1ccc(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 600677943 DZJAPNLLOVYFMH-UHFFFAOYSA-N 377.444 2.913 0 40 GFAB Cc1noc(COC2CN(C(=O)Nc3cc(-c4cccc(Cl)c4)on3)C2)n1 644420254 KMVDIQNTGCBQCK-UHFFFAOYSA-N 389.799 3.119 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 585104166 GOSHSCBHLUQAPR-GOSISDBHSA-N 382.526 2.599 0 40 GFAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](c4cnn(C)c4)C3)cc2)co1 681287344 DTVIGAVCHNFLCR-MRXNPFEDSA-N 386.477 2.952 0 40 GFAB CS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 67361569 CWVXKFXBNGFGHX-SFHVURJKSA-N 386.517 2.732 0 40 GFAB O=C(Cc1cccs1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615159894 QGGMSEBPALOQTN-HXUWFJFHSA-N 388.464 2.854 0 40 GFAB Cc1ccc(C2(O)CCN(CCNC(=O)c3cc(C(C)(C)C)n[nH]3)CC2)cc1 12147572 QCUDEMUHFILXAN-UHFFFAOYSA-N 384.524 2.729 0 40 GFAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](COc3cccc(OC)c3)C2)c1C 12239464 DCHMKVGXUABZDY-MRXNPFEDSA-N 393.509 2.700 0 40 GFAB CCCn1ncc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)c1C 12242234 MFDLLQBKNPKTIO-UHFFFAOYSA-N 389.463 2.679 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1 12775730 RQMBIHFYYKGHJH-MRXNPFEDSA-N 395.459 2.596 0 40 GFAB COCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)C[C@H](C)C3 13639450 FONUXJZDFNIIBO-LLVKDONJSA-N 382.420 2.720 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3F)n2)cc1 14230078 HHGRZLNTGMXAIQ-UHFFFAOYSA-N 388.424 2.830 0 40 GFAB CNc1snc(C)c1C(=O)OCC(=O)NC(=O)Nc1ccc(C)c(C)c1 16553590 IGQVTHSJPIYIEW-UHFFFAOYSA-N 376.438 2.615 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 18177433 FFRJDKJZWNQDRE-AWEZNQCLSA-N 381.454 2.832 0 40 GFAB NC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19331246 VJGJEBAYQAPHSF-NZQKXSOJSA-N 396.462 2.918 0 40 GFAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCCN1CCOCC1 19347102 PLWZUBKHASTYDC-UHFFFAOYSA-N 384.505 2.603 0 40 GFAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 19375443 NMJIXCRPRKUOIN-FUHWJXTLSA-N 376.416 2.762 0 40 GFAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19448291 GBECETCYTDXDQS-GOSISDBHSA-N 384.455 2.653 0 40 GFAB COc1ccc(CN(C)C(=O)[C@H](C)N2C(=O)[C@H](C)Oc3ccccc32)cc1OC 19462013 BZVIKINCRUTFQH-GJZGRUSLSA-N 398.459 2.865 0 40 GFAB COc1cccc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1OC 19590697 LRLYKAHBYSSGEZ-UHFFFAOYSA-N 396.491 2.502 0 40 GFAB CNc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)nc2c1CCN(C(C)=O)C2 19708550 UAKKPHSKOLXCBR-IBGZPJMESA-N 393.491 2.790 0 40 GFAB Cc1cc(CCCC(=O)N2CCC(c3nnc4n3CCNC4)CC2)ccc1F 19711265 LIHHKSHARUWTRU-UHFFFAOYSA-N 385.487 2.558 0 40 GFAB Cc1ccc(-c2csnn2)cc1NC(=O)Cn1cnc2sccc2c1=O 19715415 WAKJHPNKEBGTHI-UHFFFAOYSA-N 383.458 2.924 0 40 GFAB COc1cccc(-c2ccc(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c(=O)[nH]2)c1 19717208 TVDPDTFVWWOVGY-ZDUSSCGKSA-N 394.475 2.762 0 40 GFAB COc1cccc(CCNC(=O)CC2CCN(C(=O)c3c(C)noc3C)CC2)c1 19748533 LXQQFYVWMWXCQQ-UHFFFAOYSA-N 399.491 2.901 0 40 GFAB Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1cccc(Cl)c1C)C3 208038412 PRXPFCBPAQBXLW-UHFFFAOYSA-N 376.869 2.747 0 40 GFAB COc1ccc(F)c(CN2CCN(c3ncc4c(n3)C[C@H]3CC[C@H]4N3C)CC2)c1 100118989 BQAQFMLSYDMRQG-IIBYNOLFSA-N 397.498 2.638 0 40 GFAB COc1cc2cc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)ncc2cc1C 12188086 ZPIFJDKKJITGCT-GOSISDBHSA-N 381.476 2.736 0 40 GFAB O=C(COc1cc(Cl)cc(Cl)c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 5506390 BVINBTPPHAQCDZ-ZDUSSCGKSA-N 378.277 2.550 0 40 GFAB COc1ccccc1CCC(=O)OCC(=O)Nc1ccc(C(=O)N(C)C)cc1 6081521 CSUQVBMEBYVBPT-UHFFFAOYSA-N 384.432 2.512 0 40 GFAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)c3ncc(F)cc3F)C2)C1 2056224831 YDIQEALCKYVMIP-FQEVSTJZSA-N 389.450 2.612 0 40 GFAB COCCOC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C)CC1 2056226383 QDERWVMUTGYAOE-INIZCTEOSA-N 395.525 2.941 0 40 GFAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)C[S@@](=O)C2 2456770 RQOJVQWVCMDNQC-NDEPHWFRSA-N 395.440 2.924 0 40 GFAB O=C(NC1CC1)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1 2975450 GUWGRGMHVAKZCU-UHFFFAOYSA-N 395.440 2.728 0 40 GFAB COc1cccc(N2C(=O)N(c3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 4393509 AVOVBEHIBDUZMR-SJORKVTESA-N 392.864 2.961 0 40 GFAB COc1ccc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2c1 8625152 ANESBTQUPQXQOF-UHFFFAOYSA-N 391.221 2.865 0 40 GFAB O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCOCC1 9071308 OPNDLQKQYSAEON-UHFFFAOYSA-N 377.444 2.983 0 40 GFAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(N)=O)n2)cc1 12441155 XNNFVSJWZRIHCU-UHFFFAOYSA-N 390.443 2.737 0 40 GFAB O=C(N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1)C(F)(F)F 16890158 QMCKRVKLTGUCPH-JTQLQIEISA-N 384.173 2.655 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575609845 QREOHWGPBZMGFK-AWEZNQCLSA-N 390.827 2.612 0 40 GFAB O=C(COc1ccccc1C(=O)Nc1ccccn1)NCCOc1ccccc1 8643012 RSCSLSMDUHANRX-UHFFFAOYSA-N 391.427 2.908 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(C(=O)NC3CC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242643 FFEWNVUOGINTKD-NBMJBFSESA-N 381.480 2.789 0 40 GFAB COc1ccccc1N1C[C@@H](C(=O)NCCCN(C)Cc2ccccc2)CC1=O 40013049 VJEZPDGJPZQPRL-IBGZPJMESA-N 395.503 2.686 0 40 GFAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc3ccccn23)C1 40049200 ZMNQZSKZYKKPFH-INIZCTEOSA-N 378.432 2.797 0 40 GFAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120125 VJAKJFFLNZNFKV-NVXWUHKLSA-N 397.441 2.654 0 40 GFAB COc1cccc(CNC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 40139372 GIFVGLKPLKEUNV-CYBMUJFWSA-N 377.466 2.627 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)cc1F 40149891 UPZCKIRCTUZXJU-LBPRGKRZSA-N 383.470 2.630 0 40 GFAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc(N2CCOCC2)cc1 32691456 UAJKWGPXWWTAHS-FQEVSTJZSA-N 382.460 2.910 0 40 GFAB CCOc1ccc(NC(=O)C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 41189617 RTDAQLPAOSMQPD-SFHVURJKSA-N 396.422 2.802 0 40 GFAB CCCC[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cc(C)on1 32895857 MJGRUQBBIUDETO-HNNXBMFYSA-N 394.449 2.741 0 40 GFAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2ccccc2)CC1 52636443 UMOUHSOZYKTQGD-INIZCTEOSA-N 398.488 2.804 0 40 GFAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 22409390 OPDSRUGESVTWTG-NSHDSACASA-N 379.309 2.872 0 40 GFAB COc1ccc(-c2cc(CSc3nnc(C4CC4)n3CCC(N)=O)on2)cc1 22407673 SQCIWGVWTFKLAY-UHFFFAOYSA-N 399.476 2.987 0 40 GFAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)[nH]1 23391080 DZIOLUOENWPXBP-IBGZPJMESA-N 391.374 2.883 0 40 GFAB CC(C)[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1cccs1 24318602 SMHBNAGZJSJTDN-KRWDZBQOSA-N 391.518 2.642 0 40 GFAB CCc1ccc([C@@H](CNS(=O)(=O)c2cccc(C(=O)OC)c2)N(C)C)cc1 24357708 GGLCHLUTEFKCBY-LJQANCHMSA-N 390.505 2.617 0 40 GFAB O=C(NCCCC(=O)N1Cc2ccccc2C1)c1cncc(Br)c1 78918076 OFDALUVAEWXNFL-UHFFFAOYSA-N 388.265 2.897 0 40 GFAB COc1ccccc1OCCNC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 79487926 XLGMJYOULAHWJW-QGZVFWFLSA-N 384.480 2.514 0 40 GFAB CN(C)c1ccc(CCCNC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1 25140725 CCJKGBKDZKAUHG-UHFFFAOYSA-N 384.871 2.744 0 40 GFAB CCOC(=O)[C@H]1CCCCN1CC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 34857529 BRAMTXURKGICPV-RHSMWYFYSA-N 390.480 2.765 0 40 GFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1 57414193 IHNZYEQSKPKLES-HXUWFJFHSA-N 377.444 2.526 0 40 GFAB O=C(NCc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)o1 84436737 PCEVEYOMFJBHRV-UHFFFAOYSA-N 384.404 2.662 0 40 GFAB CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccnc2)CC1 58131588 ZKOWLIRKPCQQET-YYWHXJBOSA-N 398.551 2.798 0 40 GFAB CC1CCN(C(=O)[C@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 58155864 VJAXAPJODIFKAG-KRWDZBQOSA-N 387.480 2.595 0 40 GFAB Cc1nc(/C=C/C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cs1 58226767 AHMLVFBHDJKFKP-DUMMIQTOSA-N 375.469 2.794 0 40 GFAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(C)c1 10518266 IUEFBEIHPHKESA-UHFFFAOYSA-N 380.491 2.545 0 40 GFAB O=C1N[C@H](c2ccccc2F)[C@@H](C(=O)C(F)(F)F)[C@](O)(c2ccccc2)N1 3201444 YGCFZXCKJVSFPF-JJRVBVJISA-N 382.313 2.773 0 40 GFAB COc1ccc(-c2nnn(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)n2)cc1OC 58458317 ZLDUEKLXRURSPZ-ZDUSSCGKSA-N 399.426 2.716 0 40 GFAB Cc1cc(C(=O)OCCCc2cccnc2)cc(S(=O)(=O)N(C)C)c1C 36394222 PEWLKJLGCLLVAF-UHFFFAOYSA-N 376.478 2.738 0 40 GFAB O=C(C[C@H]1Sc2ccccc2NC1=O)NC1CCN(C(=O)c2ccco2)CC1 11530691 VHRAAULVHUSJFR-QGZVFWFLSA-N 399.472 2.504 0 40 GFAB O=C(N[C@@H](Cn1cccn1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2585972 LFIMKADLAIDVGC-IBGZPJMESA-N 377.400 2.875 0 40 GFAB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 100377080 PPIVCBCOLCHEFG-AVRGHOLYSA-N 387.741 2.554 0 40 GFAB Oc1cccc([C@@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)c1 112000014 ADYSPYAPRZFMOJ-MRXNPFEDSA-N 393.794 2.889 0 40 GFAB CCNC(=O)CSC1=Nc2c(cnn2-c2cccc(C)c2)C2=NCCCN12 12389929 BNOAEFGMZJETQU-UHFFFAOYSA-N 382.493 2.503 0 40 GFAB CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 12664374 XZRBDIIWGOEDBK-MMPTUQATSA-N 393.871 2.566 0 40 GFAB biogenic CCOC(=O)N1CCN(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)CC1 48256157 TZXVFDFOVAIJHW-UHFFFAOYSA-N 376.457 2.896 0 40 GFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 48263056 ODJSIDOJGOERAR-CYBMUJFWSA-N 390.461 2.753 0 40 GFAB NS(=O)(=O)c1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)s1 48260475 WXYVACDVXAZISK-UHFFFAOYSA-N 377.491 2.516 0 40 GFAB COc1ccc(C)cc1[C@@H](C)NC(=O)COc1cccc(S(C)(=O)=O)c1 48270567 XETOSOMDMDKOCH-CQSZACIVSA-N 377.462 2.663 0 40 GFAB Cc1nc2ccccc2c(=O)n1NC(=O)COc1ccc(Br)cc1 12776131 VOIUXWRUQIJXMJ-UHFFFAOYSA-N 388.221 2.617 0 40 GFAB Cc1cc(C)n(CCCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1 12821732 FJLLTQNKDYSYGT-UHFFFAOYSA-N 393.491 2.756 0 40 GFAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O 10335359 CVRBKTOOMFIBRA-CQSZACIVSA-N 390.933 2.734 0 40 GFAB CN(Cc1cccc(Cl)c1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 12879076 XCDGDSGSERETJK-KRWDZBQOSA-N 388.830 2.558 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 3490436 VAISKKKLHKEJSG-UHFFFAOYSA-N 398.440 2.543 0 40 GFAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 13006200 AOMXSCQVBGLOSK-CQSZACIVSA-N 378.432 2.966 0 40 GFAB CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCOC)c12)OC(C)(C)CC3 4089198 UHVSSWPGGCFHSI-UHFFFAOYSA-N 389.448 2.600 0 40 GFAB biogenic CSc1ccc([C@@H]2N=C(N3CCN(C)CC3)N=C3N=C(C)C=C(O)N32)cc1 49765351 BKKBMRIZZZXNRG-QGZVFWFLSA-N 384.509 2.556 0 40 GFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1 5072274 UTAPWMKZDSTMRV-INIZCTEOSA-N 381.285 2.571 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 4285590 YRCFABUQJIBSAV-UHFFFAOYSA-N 389.473 2.958 0 40 GFAB C[C@@H](Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N)C(=O)NC1CC1 6532956 GHVHKQRKUSFKTB-GFCCVEGCSA-N 389.525 2.628 0 40 GFAB COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@@H]4CCOC4)cc32)c1 66412435 KFZBHEVQODWYCS-QGZVFWFLSA-N 380.444 2.802 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 7771016 KXJOSRPZDLLZIG-UHFFFAOYSA-N 395.569 2.756 0 40 GFAB Cc1nnnn1-c1cc(NC(=O)c2cnc(-c3ccccc3)nc2)ccc1F 68681262 MMBNZXFGKQKDGC-UHFFFAOYSA-N 375.367 2.819 0 40 GFAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)c1 8267818 MLYFIZUNZJGRMH-KRWDZBQOSA-N 380.444 2.642 0 40 GFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 408701427 XUALKENDQJNRLD-MRXNPFEDSA-N 382.526 2.744 0 40 GFAB Cc1cc(C)cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c1 408992206 ZZJPECQUAGIFGX-NRFANRHFSA-N 399.450 2.978 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1 18206165 ZBMZFFGZLZWPBF-UHFFFAOYSA-N 386.477 2.523 0 40 GFAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc(-n2cnnn2)cc1 8778765 AVAQEWGWQFTFSK-UHFFFAOYSA-N 379.449 2.514 0 40 GFAB CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@@]12CN(C[C@@H]1CC=CCC1)CCO2 306123911 BAHBELYJQDXKMC-VAMGGRTRSA-N 384.586 2.932 0 40 GFAB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2cccs2)cc1 21322327 JLWRKVRJVFSWNF-UHFFFAOYSA-N 394.518 2.965 0 40 GFAB CCNc1nc(N2CCN(CC)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 20801839 FLNJILPGVVMFNL-KRWDZBQOSA-N 379.508 2.963 0 40 GFAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 20768416 MDGZFCHVGADRPZ-UHFFFAOYSA-N 388.489 2.718 0 40 GFAB O=C(Nc1cnn(CC(F)F)c1)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619309 OSBIJBOGJBUXOP-UHFFFAOYSA-N 387.325 2.644 0 40 GFAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 72347532 QFUFIXARQJUWCZ-OAQYLSRUSA-N 381.480 2.505 0 40 GFAB Cc1cc(C(=O)NCCSc2ccccc2)ccc1N(C)S(C)(=O)=O 222470041 KRHARKKUTOPLHH-UHFFFAOYSA-N 378.519 2.913 0 40 GFAB Cc1ccccc1CSCCNC(=O)CN(C)S(=O)(=O)c1ccccc1 223363487 IQPJAOYZDCUZNB-UHFFFAOYSA-N 392.546 2.665 0 40 GFAB CN(Cc1ccccc1F)C(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225942840 YHPYUDVBCAYAEJ-KRWDZBQOSA-N 382.432 2.604 0 40 GFAB COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(F)cc3F)CC2)cc1 225927904 KYPGJCALYUWEMM-UHFFFAOYSA-N 396.415 2.564 0 40 GFAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCN(Cc2ccsc2)CC1 44367178 FNBPYRCZLRIFMF-UHFFFAOYSA-N 391.928 2.750 0 40 GFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 224005960 AYOBUICJQQDINW-HNNXBMFYSA-N 388.439 2.767 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2OC)ccc1Cl 223861726 XFBZRDNVKKEWNZ-UHFFFAOYSA-N 383.853 2.956 0 40 GFAB O=C1CO[C@@]2(COCCN(Cc3ccc(F)cc3)C2)CN1c1ccc(F)cc1 96051308 YXRPDPVBLVDPKI-OAQYLSRUSA-N 388.414 2.599 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1n[nH]cc1Cl 96182667 BZZXYRQHLCVJTQ-UHFFFAOYSA-N 383.842 2.573 0 40 GFAB C/C(=C\C(=O)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2)c1ccncc1 584907908 LQKFBSUBXURZGD-YTRUQHMWSA-N 392.864 2.967 0 40 GFAB COc1ccc(NC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cn1 642652551 JWLIEDSBKXQBSM-UHFFFAOYSA-N 388.855 2.662 0 40 GFAB CC(=O)N(c1ccc(NC(=O)N2CCN(c3nccnc3C)CC2)cc1)C1CC1 653444090 JSNUNLAEJRGONE-UHFFFAOYSA-N 394.479 2.654 0 40 GFAB O=C(NCc1cnccc1C(F)(F)F)C(=O)N1CC[C@H]1c1ccc(F)cc1 663564170 MNSXOZDNTJJDND-HNNXBMFYSA-N 381.329 2.829 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 575405736 ZOMZFMGJXAQAFL-INIZCTEOSA-N 383.448 2.785 0 40 GFAB Cc1cccc(CN2CCOC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)c1 585104368 LFKLBIONHOBFNX-JOCHJYFZSA-N 383.492 2.851 0 40 GFAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cnccn1)C2 585107442 VXYAJRPCSIUNHL-QFIPXVFZSA-N 388.475 2.880 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775986067 SBHHJUHOCLSTFR-CQSZACIVSA-N 385.439 2.891 0 40 GFAB Cc1cc(NC(=O)C2CCN(C(=O)C[C@H]3OCCc4ccsc43)CC2)no1 89605149 IUWSSBSSBCECPX-OAHLLOKOSA-N 389.477 2.926 0 40 GFAB Cc1ncsc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615277314 TYSVBQBAXYVRGS-LJQANCHMSA-N 375.469 2.989 0 40 GFAB Cc1c(CCC(=O)Nc2ccccc2C(N)=O)c(=O)oc2c(C)c(O)ccc12 12897759 WERGQHIFEZXFLP-UHFFFAOYSA-N 380.400 2.786 0 40 GFAB biogenic CSc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)CC2=O)c1 14202250 NTFSXPINGHGWEL-KBPBESRZSA-N 390.505 2.752 0 40 GFAB Cc1ccc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c(C)c1 15718428 XFKFUNBIBGQVLF-UHFFFAOYSA-N 388.489 2.522 0 40 GFAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(C)cc1)C2 19209853 COEZJVWZVWZFGS-HXUWFJFHSA-N 378.476 2.596 0 40 GFAB Cc1nc2ccccc2c(=O)n1Cc1cc(=O)[nH]c(NCc2ccc(F)cc2)n1 19286626 FJEGNPOHQYISSU-UHFFFAOYSA-N 391.406 2.588 0 40 GFAB O=C(Cn1cncn1)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19370979 SLWBWRWMVHTWKB-GOSISDBHSA-N 378.432 2.540 0 40 GFAB COCc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 19594387 SGBCGEBBULCVRR-GOSISDBHSA-N 390.443 2.608 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCCC3)nc(N(C)C)c2C1 19710355 SEGYSMXDADFSMM-IBGZPJMESA-N 399.539 2.691 0 40 GFAB CNc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CCN(C)C2 19752993 UNSLMWVOPARBLM-SFHVURJKSA-N 393.535 2.845 0 40 GFAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)NC1=S 8092011 BEJXPBYFQVGDCY-JYRVWZFOSA-N 376.821 2.831 0 40 GFAB COc1ccc(/C=C\C(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1OC 4497413 VAOQZUDZMQZAQP-AGHZKPIHSA-N 384.407 2.778 0 40 GFAB COc1cc(C(N)=O)ccc1OCc1ccc(I)cc1 226360851 KPQUHLRTTCVEBQ-UHFFFAOYSA-N 383.185 2.978 0 40 GFAB CCN1CCN(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)CC1 19528165 MJSCVJLSXFSNNL-LJQANCHMSA-N 395.551 2.551 0 40 GFAB COc1cc2c(cc1CN1CCc3c(O)nc(-c4ccncc4)nc3C1)OCO2 19550597 JSVVFZDXSGKDLK-UHFFFAOYSA-N 392.415 2.540 0 40 GFAB COc1ccc(NC(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c(C)c1 575604846 CFNNBHWTVFIEBQ-UHFFFAOYSA-N 399.499 2.567 0 40 GFAB COc1ccc(-c2nc3s/c(=C/c4ccccc4F)c(=O)n3n2)cc1OC 5894576 CHQHMEMTFHFJNY-MHWRWJLKSA-N 383.404 2.522 0 40 GFAB CC(=O)c1c[nH]c(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 21533481 VWUROTPVCGHMCO-UHFFFAOYSA-N 380.370 2.984 0 40 GFAB CC(C)Oc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cn1 1888864172 GNRZUHWMWUFNMR-HDICACEKSA-N 393.491 2.745 0 40 GFAB O=C(NCc1ccc(F)cc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1888882127 DMFKAMILCDXJDE-IRXDYDNUSA-N 381.455 2.771 0 40 GFAB COc1cccc(C(N)=O)c1OCC(=O)N1CCC(Cc2ccccc2)CC1 14160794 TZZOTOVRDYVXTM-UHFFFAOYSA-N 382.460 2.654 0 40 GFAB COc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c(O)c1 14141520 LGQOQDKIOQONHB-UHFFFAOYSA-N 393.237 2.840 0 40 GFAB COc1ccc(CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 22472173 ADUVLYKICSGYIZ-UHFFFAOYSA-N 397.475 2.537 0 40 GFAB O=Cc1ccc(N2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)s1 25665266 FMUVWMMVRZPOFT-MRXNPFEDSA-N 394.924 2.914 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912728 XFUHYBOVIQGDRB-IBGZPJMESA-N 397.443 2.950 0 40 GFAB COc1ccc(OC)c2sc(NC(=O)CS(=O)(=O)c3ccccc3)nc12 4496396 ARGJWUBYZFMAPD-UHFFFAOYSA-N 392.458 2.726 0 40 GFAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1cccnc1)CSC2 5381106 IVNGBTPGFAWFBU-UHFFFAOYSA-N 393.472 2.577 0 40 GFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3Cl)OC2=O)cc1 8838571 SQEISTOBTCAEEL-CQSZACIVSA-N 396.852 2.652 0 40 GFAB Cc1ccc(N2C(=O)N(CC(=O)NC(C)C)c3ccccc3S2(=O)=O)cc1 15826906 PYBXZOGHTPLRMK-UHFFFAOYSA-N 387.461 2.655 0 40 GFAB COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1C 17011304 WIYUEZZOMNCQJL-UHFFFAOYSA-N 399.472 2.818 0 40 GFAB O=c1/c(=C/c2cccc(Br)c2)sc2nc(-c3cccnc3)nn12 26841887 AGENQGHBDNIHBW-JYRVWZFOSA-N 385.246 2.523 0 40 GFAB Cn1cc(-c2cc(CNS(=O)(=O)c3ccccc3C(F)(F)F)ccn2)cn1 585150054 LBMHCFCADIZPRF-UHFFFAOYSA-N 396.394 2.979 0 40 GFAB Cc1ncn(CC2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c(=O)c1C 585630676 GSMFJROWMFXPCQ-UHFFFAOYSA-N 383.467 2.970 0 40 GFAB Cc1nccn1-c1cccc(N2CCN(c3nc4cnccc4s3)CC2)n1 2298106478 GRYGOIKFRDXCFU-UHFFFAOYSA-N 377.477 2.907 0 40 GFAB C[C@H]1CN(C(=O)C2CCN(C(=O)COc3ccccc3Cl)CC2)C[C@@H](C)O1 40090539 CZXVRHFVYYRYHL-GASCZTMLSA-N 394.899 2.593 0 40 GFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 40158011 XMSJSLOERGTRFU-UHFFFAOYSA-N 381.460 2.854 0 40 GFAB C[C@H](Cc1ccccc1Cl)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 40112001 OKFTWZRYNQSKQQ-CQSZACIVSA-N 398.898 2.742 0 40 GFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(CNC(=O)NC(C)C)cc2)n1 40151983 SJEKOCXPGPQITC-HNNXBMFYSA-N 385.512 2.774 0 40 GFAB CCOc1ccc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1 31745327 VRHAOVIQBKNNKV-UHFFFAOYSA-N 380.491 2.706 0 40 GFAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20714866 IEZAEEIXOBBCBF-INIZCTEOSA-N 377.416 2.985 0 40 GFAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)c(C)c1C 102271542 DQKAGSJVHMJXRV-IAGOWNOFSA-N 385.460 2.821 0 40 GFAB COC(=O)[C@H]1Cc2ccccc2CN1[C@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 103292996 YMIGHRTTYJDODZ-VQTJNVASSA-N 392.455 2.535 0 40 GFAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2ccccc2)cc1 639985 HZFUPWRFCXZKAF-IBGZPJMESA-N 395.415 2.505 0 40 GFAB COc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 630737 ILSJKEHOESHENJ-UHFFFAOYSA-N 376.478 2.910 0 40 GFAB CONS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1 53543935 VSKVDZXFLLEQEI-MRXNPFEDSA-N 392.477 2.871 0 40 GFAB Cc1noc(C)c1COc1ccc(C(=O)NCCN2C[C@H](C)O[C@H](C)C2)cc1 22611920 ZECCOZZPJSCXOD-GASCZTMLSA-N 387.480 2.709 0 40 GFAB Cc1cc(C)cc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 104704594 JNFAQMOKIASNLD-OVWQWFNUSA-N 397.475 2.857 0 40 GFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCc3ccccc3C2)C1=O 24148406 CRCQJNCVBCBICX-HSZRJFAPSA-N 375.472 2.958 0 40 GFAB O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24536871 PEOACHLACYDANV-UHFFFAOYSA-N 387.486 2.916 0 40 GFAB CCOc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1 932416 FEMODBZZQCVIQN-UHFFFAOYSA-N 399.432 2.521 0 40 GFAB CS(=O)(=O)Cc1cc(F)ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 79107349 RAIQTPGDCAZLHO-XVNBXDOJSA-N 377.393 2.751 0 40 GFAB CN(C)C1(CNC(=O)CCc2nc3ncc(Br)cc3[nH]2)CCCC1 79490763 LLUDJXAMAASHLR-UHFFFAOYSA-N 394.317 2.644 0 40 GFAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2[nH]nnc2c1 12560206 IXBZSUUUFYNNRW-UHFFFAOYSA-N 378.219 2.975 0 40 GFAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)N2CCc3ccccc32)cc1 3544813 SRAITSVDFZHQHY-ZDUSSCGKSA-N 381.461 2.741 0 40 GFAB CCOC(=O)CNC(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 4171168 NPJOPNFWLKBCGU-UHFFFAOYSA-N 386.477 2.579 0 40 GFAB CC(C)NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1 4236428 KWUYAEYULSLCSX-DOTOQJQBSA-N 394.475 2.638 0 40 GFAB biogenic,in-vitro CCCNC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 56458867 JMDYJPSZYGAQCZ-UHFFFAOYSA-N 379.457 2.513 0 40 GFAB COc1ccccc1CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876340 NCZPPSHXOSNKFB-UHFFFAOYSA-N 396.399 2.912 0 40 GFAB CC[C@H](NC(=O)NCc1cccnc1-n1cccn1)c1ccc2c(c1)OCCO2 57232578 FNTSCJHXWBPENU-KRWDZBQOSA-N 393.447 2.989 0 40 GFAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)C1 57428763 ALEHPDYNXQXLJJ-HUUCEWRRSA-N 397.500 2.718 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 8037112 WGRUUAIGBRYVRL-KRWDZBQOSA-N 394.427 2.732 0 40 GFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCCN(C)C3)c2)C1 3258356 BOOCVYNAIUOAHD-SOLBZPMBSA-N 394.537 2.604 0 40 GFAB CC(C)[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 57741136 CAZLUTCBUPDGFM-FQEVSTJZSA-N 389.459 2.866 0 40 GFAB NC(=O)CCN(C(=O)CN1CCC[C@H]1c1cccs1)c1ccc(F)cc1 27357815 GAYWGQNCSYIFRC-INIZCTEOSA-N 375.469 2.933 0 40 GFAB COc1cc(CCC(=O)OCC(=O)Nc2ccccc2F)cc(OC)c1OC 3238844 FFVSENSAZQDWMH-UHFFFAOYSA-N 391.395 2.966 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N3CCCC3)nnc12 9117786 LESKRDLPAJCYCI-ZDUSSCGKSA-N 385.493 2.557 0 40 GFAB CCOc1cc(Cl)c(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1Cl 11566077 KSQDRWPCNUUDKV-UHFFFAOYSA-N 382.265 2.877 0 40 GFAB COc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc(C(=O)O)c1OC 45946338 YNVBPNGUGQOOCZ-UHFFFAOYSA-N 391.323 2.620 0 40 GFAB CCNC(=O)c1cccc(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)c1 12779201 IBJLQBBVGVKJRI-IBGZPJMESA-N 383.448 2.651 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)cc1 2917140 QSSSNEFZJBQHOT-UHFFFAOYSA-N 390.399 2.615 0 40 GFAB Cc1cc(C)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)c1 12873267 LVEFYAGLKIVSBT-UHFFFAOYSA-N 377.444 2.622 0 40 GFAB NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3457153 XTIBOXMTWSGIBY-UHFFFAOYSA-N 387.852 2.875 0 40 GFAB Cc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 12921274 PYRUAKMLINRHOJ-UHFFFAOYSA-N 398.507 2.918 0 40 GFAB COc1ccc(N2C(SCC=C(C)C)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 9304212 GWCFLZJDCISCJR-GDBMZVCRSA-N 396.534 2.745 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)NC3CCCC3)CCC2=O)c1 9397533 CPRQYACUYADFDF-HNNXBMFYSA-N 385.464 2.777 0 40 GFAB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409143857 NSPUQCCBGCTJIH-KRXBUXKQSA-N 392.614 2.929 0 40 GFAB Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 14241167 MPZHMZAFUIYWEJ-GOSISDBHSA-N 388.851 2.910 0 40 GFAB Cc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]c2c1 6536807 HDWCBYPSOZJIBN-UHFFFAOYSA-N 384.461 2.541 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)c(Cl)cc12 6659888 UCDSJNPSJKGXOS-UHFFFAOYSA-N 375.812 2.537 0 40 GFAB Cc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1C 67336746 OUMZZPSQSPMWMG-UHFFFAOYSA-N 396.422 2.998 0 40 GFAB C[C@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1cc2ccccc2o1 9546829 TUUDXKYRVVXTSI-GXTWGEPZSA-N 387.465 2.568 0 40 GFAB CCc1cccc(CC)c1NC(=O)CN1C[C@@H](C(=O)NC)Oc2ccccc21 7253039 BOUJRHJLVOPYCY-IBGZPJMESA-N 381.476 2.764 0 40 GFAB CS(=O)(=O)Nc1nc2ccc(C(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)cc2s1 170609926 SHJCPSSUUXMZIY-LOWVWBTDSA-N 377.491 2.610 0 40 GFAB Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CCN(Cc5c[nH]cn5)[C@@H]4C3)c2)n1 82107251 ZQNSRPGHHIAYST-SIKLNZKXSA-N 376.508 2.919 0 40 GFAB CSc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 17317396 TYSANUXIFDPRKO-UHFFFAOYSA-N 392.546 2.719 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)N(C)C[C@@H]3COc4ccccc4O3)ccc12 18005173 UNXFKVUGIFRLHG-MRXNPFEDSA-N 395.411 2.779 0 40 GFAB CCCn1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2c1=O 8727277 NCQBWPXPISOHTM-GOSISDBHSA-N 390.487 2.811 0 40 GFAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3[nH]nc4c3CCC4)n2N)cc1 9013435 JVBBHGOFVGWQKI-UHFFFAOYSA-N 397.508 2.725 0 40 GFAB Cc1c(Cl)cc(S(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)cc1Cl 95943740 AAXUIPOZJQIXRD-OAHLLOKOSA-N 398.308 2.673 0 40 GFAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306124013 BDBPGRQWSJNXBW-CABCVRRESA-N 385.899 2.518 0 40 GFAB O=C(Nc1ccc(CN2CCOCC2)cn1)c1c[nH]nc1-c1c(F)cccc1F 95976296 HDJJYVDQBUTKNM-UHFFFAOYSA-N 399.401 2.834 0 40 GFAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCc3cncnc3C2)c1 95396249 ALFQVJIOGGYVGZ-UHFFFAOYSA-N 380.477 2.681 0 40 GFAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 20237359 FEOAFNCZGVJRIV-UHFFFAOYSA-N 396.852 2.782 0 40 GFAB CC1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 30852411 MMCLKYIANZYLCY-UHFFFAOYSA-N 387.933 2.563 0 40 GFAB c1nnn(C23C[C@H]4C[C@@H](CC(NCc5cnc(N6CCCC6)s5)(C4)C2)C3)n1 1506418085 OLUVXMSCHONHOE-GKVPXEHWSA-N 385.541 2.568 0 40 GFAB COc1ccccc1NC(=O)C1CCN(c2nccc3c(O)ncnc23)CC1 516491031 SNJAFLZHWFSHBT-UHFFFAOYSA-N 379.420 2.594 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 408526340 AWWXDDRRTHDGBJ-UHFFFAOYSA-N 390.505 2.503 0 40 GFAB Cc1cc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c(C)n1-c1cnccn1 529407564 APIHRKGEMQZEJJ-IBGZPJMESA-N 391.475 2.703 0 40 GFAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cncc(Br)c1 38679739 MOXYTZURDGZATN-VXGBXAGGSA-N 398.282 2.581 0 40 GFAB CC(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710244 UJPNVTRQPXJBNM-UHFFFAOYSA-N 381.476 2.760 0 40 GFAB Cc1cc(C(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)c(C)o1 77192032 MURQFQLYWWLJPS-CQSZACIVSA-N 375.450 2.669 0 40 GFAB CC(C)n1nnnc1-c1ccccc1NC(=O)c1cc(C(F)(F)F)nn1C 560651372 RXTWUOHWZCOCGO-UHFFFAOYSA-N 379.346 2.926 0 40 GFAB Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)N3CCCCC3)C1=O)OCO2 34688632 YAQKPROOBOXRHQ-SXGWCWSVSA-N 388.445 2.773 0 40 GFAB O=C(c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCCCC1 33325328 AXKPIGJBANIFJA-ZDUSSCGKSA-N 379.507 2.597 0 40 GFAB Cc1ccc(N2CCC(CNS(=O)(=O)Cc3ccccc3Cl)CC2)nn1 70922760 SOPWIXYKURTUMI-UHFFFAOYSA-N 394.928 2.774 0 40 GFAB O=C(CN1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCOCC1 72348736 USSMUHQAXOKUOI-LJQANCHMSA-N 397.494 2.850 0 40 GFAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220296154 CUCWWIOVWOOCCB-LBPRGKRZSA-N 396.440 2.636 0 40 GFAB COc1cccc(N([C@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1 220167466 HABAJTMMUQTXCB-OAHLLOKOSA-N 380.510 2.856 0 40 GFAB C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1cccc2nsnc12 225603398 JNWZAJNWZJOSIB-NSHDSACASA-N 375.475 2.536 0 40 GFAB C[C@@H](COc1ccccc1)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224394468 VWZYKSMXSINGNO-INIZCTEOSA-N 388.489 2.814 0 40 GFAB CCN1CCN(C(=O)c2cn(-c3cccc(F)c3)nc2C)C[C@@H]1c1ncc[nH]1 583427264 JIIMPXQRPKQPKV-GOSISDBHSA-N 382.443 2.562 0 40 GFAB Cc1cccn(Cc2c(F)cccc2NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1=O 580622796 KXDZIILXMQUFCR-HRYATBACSA-N 395.434 2.761 0 40 GFAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(Cc1c(C)noc1C)CC2 96260487 QYRDIPKTWBWBTJ-UHFFFAOYSA-N 385.512 2.715 0 40 GFAB COC(=O)c1nc(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)sc1C 96118573 FSTBHHWKPKENGB-UHFFFAOYSA-N 375.406 2.989 0 40 GFAB COc1ccc2c(c1)OCCN(C(=O)[C@@H](O)Cc1c(F)cccc1Cl)C2 585080568 MJTZVKRNQGLYPL-KRWDZBQOSA-N 379.815 2.812 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)C1 248132830 QVUJKCQDGHPWMF-DAYGRLMNSA-N 398.511 2.801 0 40 GFAB O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C1CCCCC1)C2 604381101 DHTOIMWOCJFJKA-HXUWFJFHSA-N 384.524 2.622 0 40 GFAB biogenic,in-vitro Cc1cc(-n2nc(C)cc2NC(=O)C[C@@H](n2cccn2)C(F)(F)F)nc(C)n1 622822354 IIKGZZGVOJFEQB-CYBMUJFWSA-N 393.373 2.916 0 40 GFAB O=C(O)[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1c1ccc(Cl)cc1 652068372 BXKVLHAXULKAAD-DLBZAZTESA-N 387.867 2.742 0 40 GFAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)n1 585291908 VLIQVDFLZYSOHZ-LXXRFIIISA-N 390.451 2.809 0 40 GFAB CCCc1cc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)no1 72326889 XEOCMUSXIYIIMU-QTPGKHNVSA-N 380.448 2.661 0 40 GFAB Cc1ccccc1-n1ncc2c(N3CCN(C(=O)c4ccco4)CC3)ncnc21 36666922 WUAUIHJJLSQSOG-UHFFFAOYSA-N 388.431 2.679 0 40 GFAB Cc1nn(C)c(C)c1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119566 HZLMCAQBKKBMEQ-JOCHJYFZSA-N 382.508 2.825 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 5240526 TXCVUBIOJJOTQY-ZDUSSCGKSA-N 390.823 2.772 0 40 GFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(C(C)=O)C1 12157281 HFKKQYPOBUYVBE-YWZLYKJASA-N 376.428 2.901 0 40 GFAB COc1ccc2cc(C)c3nn(CC(=O)N(C)C4CCCCC4)c(=O)n3c2c1 12181521 ROTUSAXWQFKMJF-UHFFFAOYSA-N 382.464 2.757 0 40 GFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(F)c2)cc1 13633273 SMRJUOLFQYRKCO-UHFFFAOYSA-N 380.441 2.874 0 40 GFAB CCOc1ccc(CNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 13647772 ZSURWSJQZYBXGU-UHFFFAOYSA-N 390.505 2.785 0 40 GFAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O 13711209 MZVZPMIUTAIKOB-LJQANCHMSA-N 390.505 2.599 0 40 GFAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1 15582320 JDKGSZRHLQCJSF-UHFFFAOYSA-N 383.379 2.950 0 40 GFAB COc1ccc(/C=C2\C(=O)N(C)C(=O)c3cc(OC)c(OC)cc32)cc1OC 16958865 GFMBUNRCQVVVFS-ZSOIEALJSA-N 383.400 2.874 0 40 GFAB COc1ccc(CN2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC 19239175 TXOSSLDRUXFTOW-HNNXBMFYSA-N 381.436 2.842 0 40 GFAB Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@@H]5CCCCN5C)n4CC3)cc12 19706141 BGYSCSHRVWQVEI-IBGZPJMESA-N 392.507 2.923 0 40 GFAB CC(=O)OCc1ccc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)o1 12121565 VRUUOAVBCSUVAU-UHFFFAOYSA-N 383.452 2.656 0 40 GFAB COc1ccccc1NC(=O)N1CCN(c2cc(OC(C)C)nc(C)n2)CC1 12224228 MSLIBUYXYILBJZ-UHFFFAOYSA-N 385.468 2.935 0 40 GFAB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)n1CC(F)(F)F 5717016 GJOXNTIPJAFKNJ-UHFFFAOYSA-N 396.365 2.823 0 40 GFAB CC[C@H](C(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1)c1ccccc1 1888897740 XEZXOVBXLXRRDK-OTWHNJEPSA-N 390.491 2.521 0 40 GFAB Cn1nc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)c2ccccc21 244970148 HLSJISLCSMOTBV-UHFFFAOYSA-N 389.444 2.670 0 40 GFAB COc1ccc(CNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952016 UMNNYWAVDAKVAB-UHFFFAOYSA-N 395.459 2.575 0 40 GFAB COc1cccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)c1 4376970 UMIIBFYGUWRCSA-UHFFFAOYSA-N 392.444 2.926 0 40 GFAB COc1cccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)c(C)c3)OC2=O)c1 8838834 SKZRZKHJIWLWRK-QGZVFWFLSA-N 390.461 2.616 0 40 GFAB O=C(NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1ccc2c(c1)OCO2 9066831 FJRFIPYPXSYVNZ-AWEZNQCLSA-N 385.395 2.725 0 40 GFAB Cc1nc(SCc2nc(-c3ccccc3Cl)no2)[nH]c(=O)c1CCO 12415031 IHXLMSAFKACNNB-UHFFFAOYSA-N 378.841 2.609 0 40 GFAB COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1Cl 13849891 SWVDHYKMINLQFD-UHFFFAOYSA-N 394.880 2.971 0 40 GFAB Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2C(=O)O)cc1 15109658 AGRGJLVUNABHNY-UHFFFAOYSA-N 377.418 2.506 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2[C@H]3C=CC[C@H]2CC3)c1C 206914105 RHWFRPTYPBDENT-ROUUACIJSA-N 376.522 2.908 0 40 GFAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)cc(=O)o1 218940654 XSYOBAUTOJVXTA-CYBMUJFWSA-N 383.853 2.752 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)on3)C2)n1 585340386 VFIGRXGVYFSSQD-MRXNPFEDSA-N 379.420 2.827 0 40 GFAB O=S(=O)(NCCn1cc(-c2ccco2)cn1)c1ccccc1Br 575615127 MOJGJFQPAZSVHA-UHFFFAOYSA-N 396.266 2.884 0 40 GFAB CC1(C)Cc2cccc(OCC(=O)NC[C@H](OCCO)c3ccsc3)c2O1 575618757 CECPOMOVUNOEKF-KRWDZBQOSA-N 391.489 2.707 0 40 GFAB CSc1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1 2298049947 KKUOYRKUKRPCBW-UHFFFAOYSA-N 386.525 2.905 0 40 GFAB COc1ccccc1CCNC(=O)CSc1nncn1-c1ccccc1F 7120747 BFKJRSPNXUHBRF-UHFFFAOYSA-N 386.452 2.866 0 40 GFAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1 30599676 YVSXOWIUSKPSPS-SJCJKPOMSA-N 387.461 2.905 0 40 GFAB O=S(=O)(N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)N1CCCCCC1 40155797 NKPDJLDGDHNNSR-GOSISDBHSA-N 386.521 2.711 0 40 GFAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1csc(Br)c1 40109017 RMFKCZHTJOLMPF-UHFFFAOYSA-N 389.296 2.812 0 40 GFAB Cn1c(=O)n(Cc2ccc(F)cc2Cl)c(=O)c2ccc(C(F)(F)F)nc21 31451520 XPCWEFBMMPULHU-UHFFFAOYSA-N 387.720 2.955 0 40 GFAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 32883802 YPXCYOIZYUNGCX-ZDUSSCGKSA-N 396.896 2.674 0 40 GFAB Cc1ccc(OCCNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 32802200 FQVBBAPHSVKVMH-NRFANRHFSA-N 383.492 2.747 0 40 GFAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 664818 DWOYYIANMXRNHY-OAHLLOKOSA-N 376.478 2.630 0 40 GFAB O=C(CN1CCN(Cc2cccs2)CC1)NCCc1c[nH]c2ccccc12 22792986 NKJSBBCYNKTJJG-UHFFFAOYSA-N 382.533 2.706 0 40 GFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(F)c(Br)c2)c1=O 54452551 BCGYBNURRREFQR-UHFFFAOYSA-N 393.134 2.916 0 40 GFAB Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1324983 AJRAPNMWLIAABW-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCCC3)nnc12 1331787 MEIVDRBDQPTGDP-UHFFFAOYSA-N 399.520 2.949 0 40 GFAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c(OC)c1OC 2437637 GJFBMNNYJVDEOU-MRXNPFEDSA-N 381.384 2.994 0 40 GFAB biogenic CCCn1nc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2c1=O 3563148 UUAVMCJEKKDPFB-GJZGRUSLSA-N 385.464 2.753 0 40 GFAB Cc1cccc(C(=O)NC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 4888767 ZLMWFRWFLRIKJJ-UHFFFAOYSA-N 376.453 2.717 0 40 GFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 4965617 GFCLXCIEBBNIED-INIZCTEOSA-N 387.480 2.786 0 40 GFAB COCCNC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F 5017800 DMDLHAHTZLYAIP-CABCVRRESA-N 398.385 2.928 0 40 GFAB Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 5987180 OENRCMQRIYHRIK-UHFFFAOYSA-N 398.459 2.782 0 40 GFAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF 6020029 ASXVEBPEZMSPHB-MAUKXSAKSA-N 386.423 2.567 0 40 GFAB COc1ccc(OC)c(NC(=O)CSc2nnc(C(F)(F)F)n2C)c1 6648931 SSQGLGWPRMBHED-UHFFFAOYSA-N 376.360 2.582 0 40 GFAB CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1C1CC1 6993393 BZPCOWJQXPODIH-UHFFFAOYSA-N 387.509 2.743 0 40 GFAB CSc1ncccc1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026162 NRWHASUJKOESGY-LLVKDONJSA-N 394.474 2.603 0 40 GFAB COc1ccccc1CNC(=O)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 7306009 JQJBEYLRQRNSBS-LAUBAEHRSA-N 382.485 2.902 0 40 GFAB COc1cccc(-c2noc(COC(=O)CCn3c(=O)oc4ccccc43)n2)c1 7622084 ZIVLBJROYXTJKB-UHFFFAOYSA-N 395.371 2.787 0 40 GFAB O=C(CCc1ccco1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 7982746 HNXQXLPQZXYHBC-UHFFFAOYSA-N 385.464 2.524 0 40 GFAB CCc1nnsc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 8060750 RCFYYDBBDQXGJB-UHFFFAOYSA-N 380.495 2.527 0 40 GFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1O 8109161 JLOGWNQEDDIYRD-JYRVWZFOSA-N 396.852 2.713 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(NC2CC2)s1 8249512 CTNBJXNUDUBQKK-LBPRGKRZSA-N 392.506 2.503 0 40 GFAB CCNc1nnc(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1 9498558 GVAKGSHQOBVFLZ-UHFFFAOYSA-N 393.538 2.742 0 40 GFAB CCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)NCc1ccccc1 11122807 UHRUIPVRJDWRDV-UHFFFAOYSA-N 383.448 2.539 0 40 GFAB Cc1cc2c(=O)n(CC(=O)NCCCN3CCCc4ccccc43)cnc2s1 12148398 RPRLXGSNJVXZJX-UHFFFAOYSA-N 396.516 2.726 0 40 GFAB O=C(N[C@@H]1CCCOC1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226645 UBMJWIFKINSXBF-MSOLQXFVSA-N 390.455 2.801 0 40 GFAB O=C(CS[C@H]1CCc2ccccc2NC1=O)NCc1ccc2c(c1)OCO2 12407692 VNCQMMKSHDPYPT-SFHVURJKSA-N 384.457 2.718 0 40 GFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(C(=O)NC4CC4)cc1)(C3)C2 12741332 QGMSEIKCRIIGMQ-IWENEADUSA-N 395.503 2.992 0 40 GFAB CCCc1ccc([C@@H](NCc2cc(=O)n(C)c(=O)n2C)c2cccs2)cc1 12743183 QWXYFRDEMGTPRZ-HXUWFJFHSA-N 383.517 2.977 0 40 GFAB CN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12760562 OKNLTVOLVQTNAJ-GFCCVEGCSA-N 388.515 2.633 0 40 GFAB COc1cc(CC(=O)NC[C@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 12876694 MRMGJDDWLODYIT-HNNXBMFYSA-N 379.840 2.758 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)c1 12894509 VZCHMPZBUAJSES-INIZCTEOSA-N 386.477 2.971 0 40 GFAB CC(=O)N1CCc2cc(NC(=O)CN[C@H](C)c3ccc4c(c3)OCCO4)ccc21 13020112 VZSPGBIXTKMANQ-CQSZACIVSA-N 395.459 2.656 0 40 GFAB CCOc1ccc(-c2nnn(C[C@@H](O)COCc3ccc(Cl)cc3)n2)cc1 13020375 WTDQYCJWONRVAL-QGZVFWFLSA-N 388.855 2.970 0 40 GFAB COC(=O)c1ccc(COC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)o1 13109292 BPMOBKSTRQZTKZ-LWYUSKRHSA-N 375.421 2.585 0 40 GFAB O=S(=O)(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cccs1 14189810 LTKCBGYTWVMQBO-UHFFFAOYSA-N 396.803 2.942 0 40 GFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1nc2ccccc2s1 14825773 TURXXVSLLFKOQX-FQEVSTJZSA-N 392.440 2.628 0 40 GFAB CCOc1ccccc1OCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 15197605 FLTBPZKQNDECMF-AWEZNQCLSA-N 377.462 2.745 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19331180 AYOCYBWUEAERMN-CYBMUJFWSA-N 395.437 2.699 0 40 GFAB O=C(CCC1CCCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19375898 PVWKNORWCCCBHH-UHFFFAOYSA-N 383.492 2.720 0 40 GFAB COc1ccc(CCC(=O)N2CCC(c3cc(CN(C)C)n(C)n3)CC2)cc1 19710231 SHDDSVSBQUUVOU-UHFFFAOYSA-N 384.524 2.829 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 20016317 RWRVYVOQCFPXFC-NSHDSACASA-N 384.404 2.669 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 20459656 PJIXQZZKAJVXTE-AWEZNQCLSA-N 376.478 2.972 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccccc2NS(C)(=O)=O)cc1OC 20490541 XUMWSFJGNJQFSY-LBPRGKRZSA-N 378.450 2.566 0 40 GFAB CC1(C)Cc2nc3oc4c(NCCCN5CCOCC5)ncnc4c3cc2CO1 20518655 YJXMHISYHUIMSO-UHFFFAOYSA-N 397.479 2.757 0 40 GFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl 20716352 ICMAVXYBKRPWHW-BJOHPYRUSA-N 397.262 2.935 0 40 GFAB CCc1ccccc1N(CC(=O)NCCCOC)S(=O)(=O)c1ccccc1 22274047 RCSXMOAHTPQTNH-UHFFFAOYSA-N 390.505 2.597 0 40 GFAB Cc1nc2sc([C@H](c3cccs3)N3CCC4(CC3)OCCO4)c(O)n2n1 23158209 MGZNCTZJEFHRHS-ZDUSSCGKSA-N 392.506 2.795 0 40 GFAB CN1C(=O)N(CC(=O)OCC(=O)c2ccc(Cl)s2)C(=O)C12CCCCC2 24230580 PGHHIPKFCDBQLZ-UHFFFAOYSA-N 398.868 2.724 0 40 GFAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3cccc4cn[nH]c34)c2C)n1 24799876 IUAJXUWGPWOIKD-UHFFFAOYSA-N 375.436 2.953 0 40 GFAB COc1ccccc1N1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 26392798 JBBPKIIKUYBWPV-SFHVURJKSA-N 388.537 2.891 0 40 GFAB CSc1nnc(-c2ccncc2)n1NC(=O)/C=C/c1ccc2c(c1)OCO2 32616588 CJJOLEYNZFTOQC-HWKANZROSA-N 381.417 2.574 0 40 GFAB CCc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 32796255 FYSSFTGXLRIGEO-UHFFFAOYSA-N 392.452 2.661 0 40 GFAB C[C@@]1(C(=O)NCc2ccccc2Cn2cccn2)Cc2ccccc2C(=O)O1 32901871 CYHYMLOFUBPAEV-QFIPXVFZSA-N 375.428 2.719 0 40 GFAB O=C1C[C@H](c2ccccc2OCC(=O)Nc2ccccc2Cl)N2N=CNC2=N1 38182816 SJPDTHGDZMWZEG-OAHLLOKOSA-N 397.822 2.533 0 40 GFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)c(N2CCCC2=O)c1 40012929 PRLBZHSMAZKJGV-UHFFFAOYSA-N 387.871 2.715 0 40 GFAB COc1ccc(-c2nc(NC(=O)CCSc3nnnn3C)sc2C)cc1 40157132 NTVIRSQXIPUNQI-UHFFFAOYSA-N 390.494 2.772 0 40 GFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C 42791758 ORCYYWUPXBRJBX-UHFFFAOYSA-N 384.841 2.914 0 40 GFAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 44850475 HMQPUCRJWJROIE-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB COC(=O)c1ccc(OCC(=O)Nc2cc(C)c(Br)cn2)cc1 46085549 QICQBGKFVWVXEU-UHFFFAOYSA-N 379.210 2.957 0 40 GFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2CCSC2=O)C1 48373980 FLRKUFYSMTYWDT-HZPDHXFCSA-N 375.538 2.950 0 40 GFAB O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@H](c1cccs1)N1CCCC1 52840126 YHNNMVPFLGBTHY-MRXNPFEDSA-N 398.488 2.518 0 40 GFAB O=C1CN(Cc2ccc(Br)cc2)[C@@H](c2cccc3c2OCCO3)N1 54706470 VLAWSUYBKGRJSJ-SFHVURJKSA-N 389.249 2.851 0 40 GFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccccc1 57428829 NDSPRHOWGAPXDX-UHFFFAOYSA-N 377.425 2.853 0 40 GFAB C[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57489525 XXBIAMAILCTTMI-AWEZNQCLSA-N 383.473 2.615 0 40 GFAB Cn1c([C@H]2CCCCN2C(=O)COc2ccc(C(N)=O)cc2)nc2ccccc21 58425862 BFHDNOWUCZGVNE-LJQANCHMSA-N 392.459 2.805 0 40 GFAB Cn1c(=O)oc2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc21 62314135 DVIRQMPBGKVYGJ-UHFFFAOYSA-N 379.416 2.622 0 40 GFAB O=C(N1CCn2c(nnc2[C@H]2CCCNC2)C1)C1(c2ccc(F)cc2)CCCC1 72372150 QQLSBCZGRBREJG-INIZCTEOSA-N 397.498 2.738 0 40 GFAB O=C(CN1CCCC1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 72378342 RMBHUJYNIHFQEM-HXUWFJFHSA-N 386.471 2.930 0 40 GFAB O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1cc(Cl)ccc1Cl 77099994 BMNQEHGTWAEGGT-MRXNPFEDSA-N 388.272 2.942 0 40 GFAB CC(=O)NC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 79097000 LDECNSXRYBYICD-ROUUACIJSA-N 395.544 2.977 0 40 GFAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1 96075557 FLIIGXYNECDLFU-VGSWGCGISA-N 383.492 2.511 0 40 GFAB COc1ccc(CNC(=O)Cn2ccc3c(NC(C)=O)cccc32)cc1OC 96114859 GHHZMAVTNXRNRD-UHFFFAOYSA-N 381.432 2.933 0 40 GFAB biogenic O=C1CCc2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2N1 96223115 HTCZSKQDUHMAGX-UHFFFAOYSA-N 393.487 2.731 0 40 GFAB O=C(NCc1ccccc1)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 98212955 JGQDBCMLXNIECU-SFHVURJKSA-N 377.448 2.810 0 40 GFAB CN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C 100085908 HMYSJHGTAMQUGE-VLIAUNLRSA-N 384.586 2.953 0 40 GFAB COC(=O)/C=C1\N=C(Nc2nc(C)cc(C)n2)N(c2ccc(Cl)cc2)C1=O 100750571 UNBZOCBBNUFZOI-ZROIWOOFSA-N 385.811 2.618 0 40 GFAB O=C(CN1CCCC1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 103123042 JXRHUNUFZAWUAA-UHFFFAOYSA-N 391.924 2.935 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 113965659 VZNSBZCWAKSQHZ-UHFFFAOYSA-N 390.461 2.643 0 40 GFAB Cc1cc2ncn(C[C@H](O)CN3CCN(c4cccc(O)c4)CC3)c2cc1C 132833276 VLVBKNDJBWOQJA-HXUWFJFHSA-N 380.492 2.542 0 40 GFAB CCN(c1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1)S(C)(=O)=O 224217793 OBBWEYXJFYIWFL-UHFFFAOYSA-N 390.505 2.898 0 40 GFAB COc1ccccc1C(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819750 BTLBRLZPMLXXHT-UHFFFAOYSA-N 393.443 2.769 0 40 GFAB COC(=O)[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)c2ccccc2O1 225888859 IYMRWXOARZIFPJ-IBGZPJMESA-N 377.400 2.512 0 40 GFAB CN1CCC(N2CCC(c3c(C(=O)N(C)C)sc4nccnc34)CC2)CC1 257217623 CZUREKRTDQJTDK-UHFFFAOYSA-N 387.553 2.667 0 40 GFAB COc1ncccc1CN1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306123238 AIEYGXZHNLKIGI-RTWAWAEBSA-N 388.471 2.973 0 40 GFAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cc1 390828413 AXMSGLBLBGUSMG-QGZVFWFLSA-N 392.502 2.709 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 408588088 CCPNVTQMKGSKTQ-CYBMUJFWSA-N 390.461 2.593 0 40 GFAB COc1ccc(CCNS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 408609570 UCRKKWWSNJEHBN-UHFFFAOYSA-N 390.505 2.663 0 40 GFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)c(Cl)c1 408624722 RIBGXVNZFKEWHE-UHFFFAOYSA-N 376.906 2.666 0 40 GFAB Cc1cc(CCNC(=O)N2CCN(C)[C@H](c3nccn3C)C2)ccc1Cl 514766435 GLLJPUHOLKWLQH-KRWDZBQOSA-N 375.904 2.623 0 40 GFAB O=C(O)CN(C(=O)CCc1ccccc1OC(F)(F)F)C1CCOCC1 532260167 ZGMSFRRVEYMZLJ-UHFFFAOYSA-N 375.343 2.610 0 40 GFAB O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1ccc2cnccc2n1 570661398 LJXDGFVGNPOQIW-UHFFFAOYSA-N 388.471 2.983 0 40 GFAB CCN1CC[C@@H](NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1=O 585080388 FNWVNUCPVFCLAW-HXUWFJFHSA-N 378.476 2.932 0 40 GFAB C[C@@H](NCCc1ccc2c(c1)OC(F)(F)O2)c1cccc(S(N)(=O)=O)c1 652316069 LYLJNEKTDZOCBE-LLVKDONJSA-N 384.404 2.549 0 40 GFAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 664721554 SJWGHWLSOYHWDC-YZGWKJHDSA-N 395.413 2.742 0 40 GFAB Cn1c(=O)c(CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)cc2ccccc21 664944110 GHACPRNAHGSSMD-DFQSSKMNSA-N 377.419 2.815 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN[C@@H](CO)c2ccc(F)cc2F)n1 1659536724 VBQPMKGJVSBFHT-INIZCTEOSA-N 386.406 2.607 0 40 GFAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(CN2C(=O)CCC2=O)C1 1775966245 VSHGXPMLPLZOLM-UHFFFAOYSA-N 377.444 2.566 0 40 GFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ccnc(C5CC5)n4)CC3)n2)n1 1775996242 HOBANZNSSBHLQO-UHFFFAOYSA-N 391.479 2.555 0 40 GFAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909275 LGIAFXKGZMDBBW-NRFANRHFSA-N 387.455 2.864 0 40 GFAB CSc1ccccc1NC(=O)N1CC2(C[C@H](N3CCOCC3)CS2)C1 2056224275 SWCRWEYPEKBQOW-AWEZNQCLSA-N 379.551 2.833 0 40 GFAB CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)OCCCO2)N1CCOCC1 24838546 WGEGUIQFYYDTEB-SFHVURJKSA-N 376.497 2.715 0 40 GFAB Brc1c(CSc2nnnn2-c2ccccc2)nc2ncccn12 1254307 LRNBBSLZRDYHKI-UHFFFAOYSA-N 388.254 2.760 0 40 GFAB CCS(=O)(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)CC1 1377139 SIACMVVQQRIBRH-GFCCVEGCSA-N 394.566 2.596 0 40 GFAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Cc1ccccc1 3531652 GRDYAXDUWMVEJY-UHFFFAOYSA-N 376.412 2.729 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4553912 QGBTWPVIZQOBMU-WVMBZCLNSA-N 383.444 2.994 0 40 GFAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 7387088 NAMSCIPIYYWKBE-UHFFFAOYSA-N 376.526 2.604 0 40 GFAB O=c1c2cc(Br)ccc2ncn1CCn1c(=O)oc2ccccc21 26028590 JTHFNEHVQLNNOC-UHFFFAOYSA-N 386.205 2.767 0 40 GFAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 8091793 FXLKDRILUNURAF-UHFFFAOYSA-N 387.480 2.766 0 40 GFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1F)c1ccc(Cl)cc1 8810118 WUJWICZUZVUUHS-UHFFFAOYSA-N 398.843 2.752 0 40 GFAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(/C=C/c2ccccn2)c1 27124878 WHAVRHLBMDWGHH-VAWYXSNFSA-N 398.422 2.894 0 40 GFAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 57985395 DKEYPSKULQUOPY-JKSUJKDBSA-N 389.562 2.542 0 40 GFAB CCc1nnc(COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)o1 58148196 ILBHJCJKLIJFFZ-UHFFFAOYSA-N 376.372 2.688 0 40 GFAB COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N)cc1Cl 2264013 WXTTXIFGUBDIRT-UHFFFAOYSA-N 379.829 2.645 0 40 GFAB Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2s1 28248906 PDFZVGMGZKBYMU-UHFFFAOYSA-N 388.474 2.596 0 40 GFAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 10755520 AXIBYJZQKXAMHD-ZDUSSCGKSA-N 380.491 2.796 0 40 GFAB COc1cc(Br)c2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)N(C)CC[C@]314 103837291 YZPIZCZVRQNQEA-CADIRBKBSA-N 378.266 2.696 0 40 GFAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2414315 QUDLZXRYDTUMMH-JYEMYBHOSA-N 385.460 2.882 0 40 GFAB CCN1CCC[C@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 22914968 KNLRYTVGFIYFAK-KRWDZBQOSA-N 383.471 2.735 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1coc(-c2ccccc2)n1 24756893 HETWYDIQDJUYQT-IRXDYDNUSA-N 382.416 2.950 0 40 GFAB CC(C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1=O 52411051 WVQCQHADOCCMJD-QGZVFWFLSA-N 379.460 2.812 0 40 GFAB CN(C)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)cn1 96001879 GMVXUHZDONVIOA-INIZCTEOSA-N 395.467 2.689 0 40 GFAB O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3250294 QAGLINYYEPDABG-UHFFFAOYSA-N 390.480 2.973 0 40 GFAB COCCn1cc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)ccc1=O 48287876 LPUGDUBACCEUFJ-CYBMUJFWSA-N 393.281 2.618 0 40 GFAB COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)N2CCOCC2)cc1OC 12753628 RIMKBNUKFQDLDJ-IBGZPJMESA-N 384.476 2.816 0 40 GFAB Cc1nc(CSc2ccc(C(=O)N3CCN(CCCO)CC3)cc2)cs1 95444547 BGSDDLKJSLAZCI-UHFFFAOYSA-N 391.562 2.884 0 40 GFAB Cc1ccc2[nH]c(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)cc2c1 12846674 YLGDKAJFZKXDGL-ROUUACIJSA-N 396.535 2.739 0 40 GFAB COC(=O)C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(C)cc1 24491599 SVMYYUWJRQTTQV-KRWDZBQOSA-N 396.443 2.531 0 40 GFAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 12987213 GZKKWAGTFCNASD-GOSISDBHSA-N 395.532 2.961 0 40 GFAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 38849593 QXLQBPZIDYKPNP-INIZCTEOSA-N 380.853 2.814 0 40 GFAB Cc1ccc(/C=C/C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)o1 9389977 TTWIUONLSWRLSV-PLSXKVAHSA-N 381.432 2.824 0 40 GFAB CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 49546972 HRIROBUYCMGIAW-SZNDQCEHSA-N 393.443 2.679 0 40 GFAB C[C@H]1CCc2c(sc3nnn(CC(=O)N(C)Cc4ccccc4)c(=O)c23)C1 5183438 UXARZSNAUJYFAT-ZDUSSCGKSA-N 382.489 2.636 0 40 GFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(Cc2cccc(Cl)c2)CC1 39990605 SRAVNTDFTMCOBS-INIZCTEOSA-N 389.931 2.835 0 40 GFAB C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)NCc1ccc2c(c1)OCO2 5213911 RECWIRWLBUZDSH-NSHDSACASA-N 384.417 2.657 0 40 GFAB CCOC(=O)c1csc(N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)n1 5242817 IHIUYHTYDSYJST-CQSZACIVSA-N 386.355 2.580 0 40 GFAB CNC(=O)c1ccn(-c2ccc(NC(=O)NCCc3ccc(OC)cc3)cc2)n1 65606590 RMOXJYPPQJZMGX-UHFFFAOYSA-N 393.447 2.605 0 40 GFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 4812461 RALOPTKVLRYTAT-WMZOPIPTSA-N 381.819 2.972 0 40 GFAB CC(C)NC(=O)NCc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 6849757 NATUKMYVEWLXBR-UHFFFAOYSA-N 387.411 2.829 0 40 GFAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc2c(c1)OCCO2 5863294 VTWWBGWHQFHQML-LLVKDONJSA-N 386.433 2.966 0 40 GFAB Cc1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)n1C1CC1 7121478 PEEIRKPNRAGARX-UHFFFAOYSA-N 375.473 2.501 0 40 GFAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1S[C@H]1CCCc2ccccc21 89741355 JEUCMQGSCOUUDA-BBRMVZONSA-N 377.535 2.962 0 40 GFAB C[C@H]1CN(CC2CCN(CCCn3c(=O)oc4ccccc43)CC2)C[C@@H](C)O1 69016715 YXOHWNVJKLOVPI-HDICACEKSA-N 387.524 2.806 0 40 GFAB CCN1CCC[C@]2(CN(Cc3cccc(OCC(=O)O)c3)CC(F)(F)C2)C1=O 306131936 KTNNRQWBBGIQSG-IBGZPJMESA-N 396.434 2.620 0 40 GFAB O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCOC[C@H]1c1ncon1 95995326 NWMCAHPTNSJWRV-AWEZNQCLSA-N 394.218 2.776 0 40 GFAB COc1ccc(N/C(C)=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 17207261 ZUJNLTTXXIJYAH-ATVHPVEESA-N 381.388 2.673 0 40 GFAB COC(=O)CCN(C)S(=O)(=O)NCCC(c1ccccc1)c1ccccc1 72297735 AWDZGLNJQXYMQJ-UHFFFAOYSA-N 390.505 2.538 0 40 GFAB O=C(NCCc1nc(-c2ccccc2)cs1)C1(n2cnnn2)CCCCC1 72404776 JRYDCLNJIZCTSC-UHFFFAOYSA-N 382.493 2.815 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1Cl 408583983 LBOWPTFZAZNJDW-CYBMUJFWSA-N 396.896 2.674 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)ccc1O 31860815 VJXYCGBOCOGNJF-ZKCQSVRFSA-N 399.443 2.948 0 40 GFAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(SCc2ccccn2)nc1N 35315535 DOMAHCCDCAOJKG-CYBMUJFWSA-N 380.477 2.525 0 40 GFAB CN1C(=O)C[C@H](C(=O)Nc2cnc(-c3ccccc3)s2)[C@H]1c1ccnn1C 516589687 GEHWWUHFEOTRCU-GUYCJALGSA-N 381.461 2.702 0 40 GFAB Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cn(-c2cccnc2)nn1 519578306 AWOAKJVEYVAVRO-KRWDZBQOSA-N 387.447 2.625 0 40 GFAB O=[P@](c1ccccc1)([C@H](c1ccco1)N1CCOCC1)N1CCOCC1 30836235 ATLKJXCPAIJKLY-NIYFSFCBSA-N 376.393 2.546 0 40 GFAB CCc1nccn1-c1nccnc1C1CCN(C(=O)Cc2ccncc2)CC1 72350637 RTCRNPPBGFYWSS-UHFFFAOYSA-N 376.464 2.568 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CC[C@@H](O)[C@H](C)C2)nc1-c1cnc(C)cn1 72337672 RUGKBOSDUMNVES-KZULUSFZSA-N 394.479 2.975 0 40 GFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1 31697140 GXLHHVJDSNLJTC-LLVKDONJSA-N 382.404 2.621 0 40 GFAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223607310 ALMUQAHYZXNWPE-RBUKOAKNSA-N 379.489 2.622 0 40 GFAB Cc1cnc(OC(C)C)c(NC(=O)NC(c2nccn2C)c2nccn2C)c1 529105734 JODKYZRXWZMQEI-UHFFFAOYSA-N 383.456 2.555 0 40 GFAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224274915 OBWHOWVNJBTDQS-UHFFFAOYSA-N 388.489 2.588 0 40 GFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224618296 OTENWXAPTDUQRF-LBPRGKRZSA-N 396.538 2.822 0 40 GFAB COc1cc(C(=O)NCC(=O)NC[C@H](C)c2ccccc2)ccc1OC(F)F 26754347 BNRLARXCTDBDNY-ZDUSSCGKSA-N 392.402 2.946 0 40 GFAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225688226 JQPCWBACNKDNSO-OAQYLSRUSA-N 392.496 2.704 0 40 GFAB O=C(NC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)c2ccccc21 579454917 IUXWZLDOLDWSMW-GOSISDBHSA-N 385.485 2.770 0 40 GFAB Cc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)nn1C1CCCCC1 580039954 ILHZCYGJYPJATF-CRAIPNDOSA-N 386.500 3.472 0 40 GFAB CC(C)Cn1c(CCNC(=O)c2ccccc2-n2cnnn2)nc2ccccc21 96232619 FEQXHBGCYVYPPR-UHFFFAOYSA-N 389.463 2.641 0 40 GFAB CCc1ccc([C@@H](O)CNC(=O)c2ccc(N3CCN(C)CC3)c(F)c2)cc1 585082258 STXBOXBYLUEQMS-NRFANRHFSA-N 385.483 2.603 0 40 GFAB COc1cc([C@@H](C)NC2CCN(S(=O)(=O)c3cccs3)CC2)ccn1 585082881 FXLHPKLOJKIXOM-CYBMUJFWSA-N 381.523 2.656 0 40 GFAB COCCc1nnc(NC(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)s1 247819440 CLPCSHHQZOPHJC-RGZWXSTOSA-N 399.472 2.726 0 40 GFAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(-c2cncnc2)n1 257283361 OXYYJCYNBORTHC-FPOVZHCZSA-N 379.464 2.544 0 40 GFAB CC(C)(C)C(=O)N1CCC[C@@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1 257274467 NLDZVJKWXNUWFC-MRXNPFEDSA-N 397.523 2.710 0 40 GFAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccn(C)n3)CC2)on1 257256311 KKXOWPLHVKMFHV-SHTZXODSSA-N 382.468 2.821 0 40 GFAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN(C)Cc1ccc(F)cc1 257236953 HEOHNSWMJMGAIO-CUXKYVRBSA-N 387.499 2.648 0 40 GFAB COC[C@H](C)NC(=O)CN1CCC(c2cccc(Nc3ncccc3C)n2)CC1 257342802 ZQFXSCDOUCXRFD-KRWDZBQOSA-N 397.523 2.859 0 40 GFAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCCN4)CC2)c1 645363238 ZHQXPZKSRQUNCT-UHFFFAOYSA-N 379.460 2.652 0 40 GFAB Nc1ncccc1CNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1678679820 RHMJIRQXXLKCPD-MRXNPFEDSA-N 391.878 2.920 0 40 GFAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC3(CC(=O)O)CC3)CC2)cc1 652376621 YSNONMGDAANKEJ-UHFFFAOYSA-N 394.537 2.545 0 40 GFAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)[nH]nc21 668823658 KREGSKMOARVYIP-RBSFLKMASA-N 392.463 2.597 0 40 GFAB C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)c1nnnn1-c1ccccc1 1615551610 MDKJQEMGBJIBDK-BQFCYCMXSA-N 384.484 2.714 0 40 GFAB COc1ccc(C(=O)NC2CCN(c3nc4cccnc4s3)CC2)c(OC)n1 390827183 FLIAOZXOQXYIMZ-UHFFFAOYSA-N 399.476 2.502 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NCc2cccc(Cl)c2)c1 575421181 NHBVVRFTWJZXNS-QGZVFWFLSA-N 378.881 2.869 0 40 GFAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 585104403 HXQDAJTZPNCVNS-GOSISDBHSA-N 382.526 2.599 0 40 GFAB CCc1nn(CC(=O)N(CC)Cc2ccco2)c(=O)c2cc3ccsc3n12 12114311 XYHWGDKSQRCPJI-UHFFFAOYSA-N 384.461 2.915 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 12143270 AADHFUKLYJMPHH-KRWDZBQOSA-N 392.521 2.611 0 40 GFAB C[C@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCc1nc(-c2ccccc2)no1 12202601 IFMHQTADZLYOBM-KPZWWZAWSA-N 380.379 2.931 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1c(C)cccc1C 13580952 HEFKQVKKSLRWDW-UHFFFAOYSA-N 380.441 2.710 0 40 GFAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 16108638 QNOABYYSRSRIEH-TZWLIRKLSA-N 389.473 2.998 0 40 GFAB COc1cccc(CC(=O)N2CCC[C@H]([C@H](NC(C)=O)c3ccccn3)C2)c1 19020266 MMMZGHLYRWCWDK-AVRDEDQJSA-N 381.476 2.749 0 40 GFAB CCCn1cc(S(=O)(=O)NCc2noc(-c3ccc(Cl)cc3)n2)c(C)n1 19526065 IGALXQQFFIYZKV-UHFFFAOYSA-N 395.872 2.783 0 40 GFAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2S(C)(=O)=O)n1 19689629 FNLQEZSJAPVXGF-OAHLLOKOSA-N 380.901 2.960 0 40 GFAB Cc1ccc([C@@H]2CCCN2C(=O)c2cccn(CC(=O)N(C)C)c2=O)cc1C 19745680 RRAHEJLBILGEBU-IBGZPJMESA-N 381.476 2.531 0 40 GFAB CC(C)NC(=O)c1cc([C@@H]2CN(c3ncccn3)CCO2)nc2ccccc12 19759562 VYTGMJWDSIQDDG-IBGZPJMESA-N 377.448 2.741 0 40 GFAB Cc1cnc(Nc2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)s1 643550893 SGRRCDQWEPCLFX-UHFFFAOYSA-N 381.527 2.576 0 40 GFAB CC1(C)C[C@@H](CC(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)C(=O)O1 12187036 NPDXJAQFBCCAAU-OAHLLOKOSA-N 384.436 2.569 0 40 GFAB CCOc1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(C(=O)N3CCCC3)c1)CCO2 681367578 BVWHGSWRFYHLMD-KRWDZBQOSA-N 383.448 2.903 0 40 GFAB COc1cc(OC)c(C(=O)OCC(=O)N2CCCc3ccccc32)cc1OC 3242948 QKDQQKWRBXWPQJ-UHFFFAOYSA-N 385.416 2.849 0 40 GFAB Cn1cc(-c2ccc(CCNC(=O)C(=O)NCCC3=CCCCC3)s2)cn1 1889149213 MGVDQVDPUMBFAU-UHFFFAOYSA-N 386.521 2.814 0 40 GFAB COC(=O)C1(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CCCCC1 24432514 GZIWADOEEALQAX-UHFFFAOYSA-N 381.372 2.739 0 40 GFAB Cc1ncccc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841135 XNZLSVPPSSRKHQ-JOCHJYFZSA-N 379.460 2.818 0 40 GFAB O=C(CCCc1cn[nH]c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037908958 IKVWWKJRDLUBOS-HXUWFJFHSA-N 375.444 2.694 0 40 GFAB COCCOC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)n2)CC1 2056226724 YOALPGMFPZBDQC-IBGZPJMESA-N 389.496 2.880 0 40 GFAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ncn2)n1 2087045446 GTOQJQVATCQSTD-IYBDPMFKSA-N 384.484 2.582 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(F)c4)cnc32)cc1 4165799 GPUWCRIAUBWQBQ-UHFFFAOYSA-N 377.379 2.668 0 40 GFAB O=C(CSc1ccc(-c2ccccn2)nn1)N1CCN(c2ccccc2)CC1 4272435 XDKXXAFFFVLEON-UHFFFAOYSA-N 391.500 2.980 0 40 GFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4)cnc32)c(C)c1 4479265 IJOWNDRALNFRLX-UHFFFAOYSA-N 391.406 2.977 0 40 GFAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(Cl)cc1 9660986 YEUQOPGQQAITTA-UHFFFAOYSA-N 389.864 2.542 0 40 GFAB C[C@H]1CC[C@H](C(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)CC1 2055751393 RPJMLFWKCYNSIV-RADWXHQJSA-N 398.507 2.662 0 40 GFAB CN(Cc1cccc(F)c1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775974116 LHICYJPOKTZDLG-UHFFFAOYSA-N 389.438 2.646 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 23766281 DOCIQCPLGHAUGF-UHFFFAOYSA-N 399.285 2.907 0 40 GFAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncnc4ncccc34)CC2)cn1 2298082373 WJANJENETMFFIG-UHFFFAOYSA-N 391.479 2.731 0 40 GFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19499436 BSXALHGRFBSHAG-WOJBJXKFSA-N 396.491 2.652 0 40 GFAB CCOC(=O)Cn1/c(=N\C(=O)c2ccnn2CC)sc2cc(Cl)ccc21 101342108 RBFVIXGLNHZPCX-LVZFUZTISA-N 392.868 2.877 0 40 GFAB O=C(NCc1cc(F)cc(F)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 30482382 CWJJEKUGGQAAMI-SJORKVTESA-N 394.418 2.563 0 40 GFAB C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)n1cncn1 40108149 IZCMHOMXHMKEHM-CRAIPNDOSA-N 381.505 2.816 0 40 GFAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C)c3nccs3)CC2)c1 40133660 DJRMMWJUVQPENU-UHFFFAOYSA-N 389.477 2.676 0 40 GFAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1cnc2ccccn2c1=O 40111884 LESQUBNMSQDJPY-UHFFFAOYSA-N 377.322 2.566 0 40 GFAB CC1(C)OC[C@H]([C@H]2OC(=O)C(O)=C2OCc2ccc(Br)cc2)O1 20444494 OAFBJCNKHYIJRQ-DGCLKSJQSA-N 385.210 2.812 0 40 GFAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccc(F)cc1Cl 102624874 JROCTOCCUYECGG-SRABZTEZSA-N 389.814 2.699 0 40 GFAB CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)n(C)c1 32909958 JWLHJXLVNNLIFB-ZIAGYGMSSA-N 383.448 2.729 0 40 GFAB COc1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1 22931593 LURQNIVIPZCKDN-UHFFFAOYSA-N 398.894 2.903 0 40 GFAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 104673203 PZPJXICRSYQOCH-LUKYLMHMSA-N 397.475 2.857 0 40 GFAB O=C1C(=O)N(CN2CC=C(c3ccccc3)CC2)C(=O)N1CCc1cccs1 23761269 XVVCHIWAEIEULO-UHFFFAOYSA-N 395.484 2.828 0 40 GFAB Cc1ccc2cc(CN(C(=O)N3CCOCC3)C3CCCC3)c3nnnn3c2c1 1367282 BPHIJXNPGHVHPN-UHFFFAOYSA-N 394.479 2.783 0 40 GFAB O=C1c2ccccc2N[C@@H](c2cccnc2)N1NS(=O)(=O)c1ccccc1 1441645 BMULPXHDHLFNIX-GOSISDBHSA-N 380.429 2.542 0 40 GFAB COC(=O)c1ccc(SCCC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1572215 DAJSNWKADSBBIS-UHFFFAOYSA-N 383.425 2.821 0 40 GFAB COC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 2326248 CFBFYAVKZKAOJH-JOCHJYFZSA-N 381.428 2.790 0 40 GFAB CCc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1 2417659 GVYYWSFPOBKHBH-CPNJWEJPSA-N 389.480 2.521 0 40 GFAB NC(=O)c1c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCCC2 2640927 WMTZEDYJOYWDFA-UHFFFAOYSA-N 399.394 2.545 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)C1 2722949 DTHOAEXBBHDFAU-ZDUSSCGKSA-N 399.472 2.633 0 40 GFAB CCn1ncc(Br)c1CN(C)C(=O)c1cc(C)n(C(F)F)n1 2733230 WHYVWEDLXSDNDQ-UHFFFAOYSA-N 376.205 2.838 0 40 GFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 3354293 XYOVFZISARUCQL-QFIPXVFZSA-N 377.444 2.823 0 40 GFAB CCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccc(Cl)cc2)c(=O)[nH]c1=O 3407567 RGJZRGVEWVUBRH-DHZHZOJOSA-N 390.871 2.639 0 40 GFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 3493284 SPTGNFIBEAFYRI-UHFFFAOYSA-N 389.824 2.775 0 40 GFAB Cc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1Cl 4275606 ZZEXILUHBFSHFY-JGFGOLAASA-N 397.855 2.983 0 40 GFAB CCOC(=O)[C@H]1CCCN(C(=O)/C(=C\c2ccccc2)n2ccccc2=O)C1 4600017 WGVFJUJZXFZXQI-CMAIMYMYSA-N 380.444 2.648 0 40 GFAB CCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C 4859083 HDQSTCRHELDKEK-UHFFFAOYSA-N 376.526 2.912 0 40 GFAB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)c1C 4984813 NGMRLDSRTZRCSO-IBGZPJMESA-N 377.444 2.893 0 40 GFAB Cc1ccc(C2=NO[C@@](CC(=O)O)(C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 5451923 LYVFCVHJUCCXSL-NRFANRHFSA-N 396.399 2.743 0 40 GFAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)NCc1ccccc1 5451953 LCDSHSUKLPRHNK-UHFFFAOYSA-N 390.468 2.773 0 40 GFAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C)c1ccccc1 5489143 IUZVLNCGTSTSIH-CABCVRRESA-N 377.448 2.832 0 40 GFAB CC[C@H]1CCCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O 6112214 HEJHIXKHBLRXFR-ZDUSSCGKSA-N 378.270 2.950 0 40 GFAB C[C@@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1F 7626690 RHJGVSDOSUKZFO-GFCCVEGCSA-N 379.407 2.787 0 40 GFAB CS(=O)(=O)c1cccc(NC(=O)COc2cccc(Br)c2)c1 8006471 CXAADYMIVCMQBZ-UHFFFAOYSA-N 384.251 2.870 0 40 GFAB COc1ccc(-c2noc(CN3C(=O)CC4(CCCCC4)C3=O)n2)c(OC)c1 8253042 CMNJDSWZJVQHEV-UHFFFAOYSA-N 385.420 2.963 0 40 GFAB Cn1cccc1C(=O)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 8279380 HOHKMERZDZYNSS-UHFFFAOYSA-N 381.461 2.532 0 40 GFAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCCCCC2)c1 8708770 UNBKPIDPWQJVMU-UHFFFAOYSA-N 387.933 2.795 0 40 GFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810933 PDDCOTKVRCJVSR-LLVKDONJSA-N 384.404 2.530 0 40 GFAB CNC(=O)c1ccc(NC(=O)CN(C)Cc2ccccc2Br)cc1 9156275 MYKDAOHEWSIKAH-UHFFFAOYSA-N 390.281 2.879 0 40 GFAB CC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 9627651 AHLBFNIGCXIACV-INIZCTEOSA-N 381.494 2.533 0 40 GFAB COc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Br 9981433 VIGCNWMLLYVJSZ-HNNXBMFYSA-N 397.313 2.529 0 40 GFAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 10268227 LJPZUVHDRGEZMG-QGZVFWFLSA-N 395.488 2.649 0 40 GFAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N(Cc1ccccc1)Cc1ccccc1 11096978 PXPZACYSEKWAJL-AWEZNQCLSA-N 394.504 2.746 0 40 GFAB O=C(CSc1nncs1)Nc1cc2c(cc1Br)OCCO2 11577802 BJESWMGXOSDVFY-UHFFFAOYSA-N 388.268 2.803 0 40 GFAB O=C(Nc1ccc(Br)cc1)c1cc(O)n(-c2ccccc2)c(=O)n1 12338528 LOSUJBDPIXFDSO-UHFFFAOYSA-N 386.205 2.953 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 12540447 CFKPTSYJQCBUOC-UHFFFAOYSA-N 398.488 2.727 0 40 GFAB COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3cc(C)cnc23)c2ccccc2O1 12592417 JAJHKRXAPVHTMJ-KRWDZBQOSA-N 398.440 2.673 0 40 GFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(Cl)cc1Cl 12607961 KKRKPQCZDMVJNH-UHFFFAOYSA-N 392.242 2.703 0 40 GFAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1cccs1)c1ccccc1Cl 12623687 ZKHGCKUULVZCFV-CYBMUJFWSA-N 380.853 2.552 0 40 GFAB COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 12751856 CJJUKZPZMILQDV-QGZVFWFLSA-N 380.444 2.604 0 40 GFAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 12858696 KDOVGCVNGWQWSC-UHFFFAOYSA-N 382.869 2.825 0 40 GFAB CCC(CC)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H](C)O 12987090 HKBMCXSJPYVZMS-LLVKDONJSA-N 397.928 2.828 0 40 GFAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)on1 13595641 QXPKBQKSHPSCHM-UHFFFAOYSA-N 396.472 2.954 0 40 GFAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13680855 FMMDZUCZMZRWMY-NSHDSACASA-N 379.309 2.623 0 40 GFAB CCCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 14234811 LYRRXHNCOROUDI-UHFFFAOYSA-N 396.896 2.837 0 40 GFAB Cn1c(SCc2ccc(F)cc2Cl)nnc1[C@H]1CCS(=O)(=O)C1 14245458 GWLSSFOJFTYSJT-JTQLQIEISA-N 375.878 2.802 0 40 GFAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H]1c1cccs1 14930013 YZYFIQSNJHANAG-SWLSCSKDSA-N 379.507 2.560 0 40 GFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)nc2ccccc12 17636292 YNYRMFVLGULEBU-OAHLLOKOSA-N 384.432 2.958 0 40 GFAB Cc1ccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cn1 19214829 JCEYFTNTEXLAJI-UHFFFAOYSA-N 381.461 2.617 0 40 GFAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1c[nH]nc1-c1cccs1)C2 19402305 RZNJQPNOIQMNMD-UHFFFAOYSA-N 390.472 2.842 0 40 GFAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1O2 19588453 AWFJVZITKCWKFM-LIRRHRJNSA-N 388.855 2.698 0 40 GFAB COCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(N)=O)C1 19592762 DNCDILZRHWVTMN-QHCPKHFHSA-N 396.487 2.645 0 40 GFAB COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc(OC)c1 19595148 XLNCKDPXAFISKF-QHAWAJNXSA-N 382.504 2.566 0 40 GFAB COc1ccc(-n2nnnc2/C=C/N2CCN(c3ccc(F)cc3)CC2)cc1 19691038 OPRNKLXHGOGJFR-ZHACJKMWSA-N 380.427 2.603 0 40 GFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CN(c3ncccn3)CCO2)n1 19692740 JOPWMFVBZVIYJO-KRWDZBQOSA-N 380.427 2.717 0 40 GFAB COC(=O)C1=C(C(=O)OC)N2C(=O)c3ccccc3[C@H]1N2c1ccccc1C 19872830 JFSHXFMGVBGMRO-QGZVFWFLSA-N 378.384 2.527 0 40 GFAB C[C@H](Sc1cccc[n+]1[O-])C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 21180103 ZRWSPGWKKVMIEK-UHSVVUDUSA-N 375.494 2.595 0 40 GFAB Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 22532015 FTRIISGNLIWRAM-UHFFFAOYSA-N 384.860 2.870 0 40 GFAB O=C(CCNC(=O)c1ccccc1)OCc1ccc(C(=O)N2CCCC2)cc1 25698498 FDXYQKJVRDDQIK-UHFFFAOYSA-N 380.444 2.786 0 40 GFAB COC(=O)c1ccc(OC[C@@H](O)CN2CCCc3cc(F)c(F)cc32)cc1 26344467 QMTFZXROSCTCTB-HNNXBMFYSA-N 377.387 2.944 0 40 GFAB CCN(Cc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32768842 YIPYLKRUFSWYNJ-UHFFFAOYSA-N 379.457 2.601 0 40 GFAB Cc1cccc(-c2nc(-c3ccccc3OCC(=O)N3CCOCC3)no2)c1 33325117 QPGUJYIMBASKIH-UHFFFAOYSA-N 379.416 2.950 0 40 GFAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)Nc3cccc(OC)c3)N=C2O)cc1 36592940 NHFPLDLZQWNBGO-GOSISDBHSA-N 397.431 2.748 0 40 GFAB O=C(NCC(=O)N1CCC(Cn2cnc3ccccc32)CC1)c1ccccc1 36708690 NAQXKUDQJUCLSV-UHFFFAOYSA-N 376.460 2.705 0 40 GFAB CCOc1ccc(Nc2ncccc2C(=O)NC2CCN(C(C)=O)CC2)cc1 40007732 WKUANONDLOXPFG-UHFFFAOYSA-N 382.464 2.965 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)cc1C 40072667 YUJJURVXEGVPPE-MRXNPFEDSA-N 387.505 2.729 0 40 GFAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@H](N2[C@@H](C)CC[C@H]2C)C1 40150228 PVISSQJNJCAWGS-SCTDSRPQSA-N 396.535 2.959 0 40 GFAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1C[C@@H]1CCCO1 40398019 RFOLCTJOHSATTQ-AWEZNQCLSA-N 381.823 2.939 0 40 GFAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1nc2c(s1)CCC2 42606287 DVEGSDCGSLQYCM-UHFFFAOYSA-N 386.502 2.990 0 40 GFAB CC(C)C(=O)NCCNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 48124646 PAQIVGPKFFROLG-UHFFFAOYSA-N 386.427 2.972 0 40 GFAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCC(c3nc(C)no3)CC2)C(C)C)cc1 54664234 OMKZROKKMYJXNP-SFHVURJKSA-N 384.480 2.847 0 40 GFAB COc1cc(C)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)cc1C 56105136 ZLSKMWQKEUJKPR-UHFFFAOYSA-N 395.477 2.816 0 40 GFAB O=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1nccc2ccccc12 64733738 VUVIBYXXVUUYOU-UHFFFAOYSA-N 389.455 2.736 0 40 GFAB CCOC(=O)c1sc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)nc1C 71287122 AJAQQACWHJUJKJ-UHFFFAOYSA-N 392.462 2.567 0 40 GFAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc(Cl)c1 71334338 LXCASPORUQCXKV-CQSZACIVSA-N 387.871 2.594 0 40 GFAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2cccc(F)c2F)c(OC)n1 72337569 IIHSPVSAAZZXGF-RAKKMVLPSA-N 391.418 2.787 0 40 GFAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3cccnc3)C2)c1 72358710 YCBZHEJZJXHPPA-SFHVURJKSA-N 387.443 2.657 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc3c(N)ncnc3n2)cc1 72374625 IVPAQJURZIDQKQ-QGZVFWFLSA-N 399.476 2.532 0 40 GFAB Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCc2ccccc2[C@@H]1CO 79111259 SUHNORPVSHXRNA-NRFANRHFSA-N 381.476 2.955 0 40 GFAB O=C(Nc1nnc2ccccn12)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 84606646 MGPPNMMQINUMHM-SNVBAGLBSA-N 375.841 2.688 0 40 GFAB CC1(C)OC(=O)C[C@H]1C(=O)NCC1(Cc2nnc3ccccn23)CCCCC1 95477593 LKYFQLSXODSWDH-HNNXBMFYSA-N 384.480 2.680 0 40 GFAB Cc1nc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccn23)cn1C(C)C 96154943 MFMPLIUZGRSBIG-UHFFFAOYSA-N 395.507 2.754 0 40 GFAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CCCCN1CCN(c3ccccn3)CC1)C2=O 100314194 NCMIPRCQUMYAEC-MBSDFSHPSA-N 398.551 2.795 0 40 GFAB O=C(CSc1nc(=O)cc(O)n1C1CCCC1)NCCc1ccc(F)cc1 102137543 WCLKZCWNHQVQQZ-UHFFFAOYSA-N 391.468 2.654 0 40 GFAB COc1ccc(C)cc1N([C@@H](C)C(=O)N1CCc2ccccc21)S(C)(=O)=O 220341842 FTYJTHDCDCRHMG-HNNXBMFYSA-N 388.489 2.747 0 40 GFAB COc1ccc(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1OC 222939462 CMMYSAHVXOXOEN-UHFFFAOYSA-N 398.488 2.940 0 40 GFAB Cc1ccccc1OCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 224406372 JWIYABWEFMTPKJ-UHFFFAOYSA-N 382.869 2.829 0 40 GFAB COc1ccc(Cl)cc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccccc1 225165808 MUUZLLVNGFQMLJ-OAHLLOKOSA-N 383.853 2.665 0 40 GFAB CC(=O)NC(=S)Nc1c(Br)cc(C(=O)O)cc1Br 226354686 NXCLMLHLNCDEFS-UHFFFAOYSA-N 396.060 2.743 0 40 GFAB COc1cccc2cc(C(=O)NC3CCN(c4nc(C)cc(O)n4)CC3)oc12 253537364 RGEXRMMANNTFKR-UHFFFAOYSA-N 382.420 2.644 0 40 GFAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)cc(-c4cccnc4)n3)C2)CC1 257235324 GXIPKSOFAANGCW-DJIMGWMZSA-N 382.464 2.765 0 40 GFAB CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(c4cnccn4)C3)ccc2c1N 257280521 OLFBDFBOCDSPIB-HXUWFJFHSA-N 396.520 2.928 0 40 GFAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 408702128 CTPCOSJDIUXBJR-SFHVURJKSA-N 392.477 2.887 0 40 GFAB CCOC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)C1 544922831 XOQJKNSHALAPIJ-AWEZNQCLSA-N 381.494 2.701 0 40 GFAB Cc1cc(C)n([C@H](CNC(=O)C(=O)NCc2cccs2)c2ccsc2)n1 575612503 ASEMNZSQRYDIDT-MRXNPFEDSA-N 388.518 2.645 0 40 GFAB COc1ccc2oc(CN3CCN([C@H](C(N)=O)c4ccccc4)CC3)cc2c1 585084446 HPHZNPAHMCJDTD-NRFANRHFSA-N 379.460 2.786 0 40 GFAB Cc1c(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)nnn1[C@H]1CCNC1 662810951 VEFNDJJGKWZNEY-IBGZPJMESA-N 391.475 2.977 0 40 GFAB Cc1cc(N(CCO[C@H]2CC2(F)F)S(C)(=O)=O)ccc1Br 663962093 DVDYXDPTGGNOBB-LBPRGKRZSA-N 384.242 2.948 0 40 GFAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ncc(C(F)(F)F)[nH]2)cs1 1565552949 FCNFGTZJYMGQDW-RYUDHWBXSA-N 385.415 2.569 0 40 GFAB O=C(NC1CCOCC1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1776008886 QZRZMWDNXLAOKR-KBPBESRZSA-N 383.290 2.702 0 40 GFAB Cn1cc(-c2cnc(OC3CCN(Cc4cc(C5CC5)on4)CC3)nc2)cn1 2069628813 CBRIIYBOJOHTCA-UHFFFAOYSA-N 380.452 2.786 0 40 GFAB Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298117634 JQQUZWSSCXSLOT-INIZCTEOSA-N 379.451 2.903 0 40 GFAB COc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)c(OC)c1OC 1263417 OAKXFBOXXLQOHT-QGZVFWFLSA-N 376.497 2.937 0 40 GFAB COCCOC(=O)c1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12 2318573 PBOUGNYLRSKVRF-UHFFFAOYSA-N 378.388 2.665 0 40 GFAB CCCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccsc2c1=O 2909315 OTIZVAOARCFNEK-GFCCVEGCSA-N 381.523 2.645 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccccc2Cl)c1C 3307996 PHAYPKGUQQWFGP-UHFFFAOYSA-N 392.839 2.935 0 40 GFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc21 3406773 ZTJVDEWPALMUDR-UHFFFAOYSA-N 375.428 2.639 0 40 GFAB CCOc1ccc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 4173656 ZPZFMDHMYCBRPI-OAHLLOKOSA-N 379.503 2.976 0 40 GFAB O=C(COc1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 4703420 GNONEPHBWLRCCP-UHFFFAOYSA-N 379.504 2.879 0 40 GFAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NC1CCCC1 5353363 IYNCDBZCJWVBBA-IBGZPJMESA-N 383.492 2.995 0 40 GFAB CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(OC)cc1 6593935 FXYYKZLLIIWUSX-UHFFFAOYSA-N 376.478 2.961 0 40 GFAB COc1ccccc1CNC(=O)COC(=O)c1cc(Br)ccc1O 6643727 NLLZQMFBVMVMQZ-UHFFFAOYSA-N 394.221 2.637 0 40 GFAB CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 6646391 HGPVAFGMPOJTBT-UHFFFAOYSA-N 399.476 2.718 0 40 GFAB O=C(Oc1cccc(F)c1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654506 LZVFAXFHZHFCLX-CYBMUJFWSA-N 388.420 2.592 0 40 GFAB O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680510 KFCZDRZTTYLELX-UHFFFAOYSA-N 378.519 2.895 0 40 GFAB CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)sc1C 7723153 DDHVMEMTANBEEA-UHFFFAOYSA-N 396.509 2.905 0 40 GFAB O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@H]1CC(=O)N(c2ccccc2)C1 7928536 MKVNZCOZUYYTTG-HNNXBMFYSA-N 392.411 2.689 0 40 GFAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1COc2ccccc2O1 7988405 WVFIUTSCWOGQOA-QGZVFWFLSA-N 397.456 2.911 0 40 GFAB CCOC(=O)[C@@H](CC(C)C)NC(=O)CCCCSc1ncnc2[nH]cnc12 8635209 NMRIDGAOSTVNBE-CYBMUJFWSA-N 393.513 2.709 0 40 GFAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1cccc(Cl)c1 8732506 OAWACTBHNYLNLB-GFCCVEGCSA-N 388.807 2.795 0 40 GFAB COc1ccccc1[C@H](C)NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 8734524 DKGJSSLWNDXRMS-NSHDSACASA-N 392.839 2.712 0 40 GFAB CC[C@@H](C)N(C(=O)CSc1cc(C)nc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 8883792 CUUMYUPPNDUQRV-HUUCEWRRSA-N 399.582 2.815 0 40 GFAB C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N1CCCC1 9055514 SQLABQIHVMUACR-CQSZACIVSA-N 392.411 2.655 0 40 GFAB COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 9095028 JWDOJLMECXWVML-UHFFFAOYSA-N 380.400 2.978 0 40 GFAB Cc1nc(SCc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525716 RGZZPVYYABVBRZ-UHFFFAOYSA-N 388.468 2.886 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 12557793 JCJDSXPZBIKLFC-GOSISDBHSA-N 382.445 2.640 0 40 GFAB O=C(Cn1cnnn1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 12749868 PYVBSYAGPGKSFA-UHFFFAOYSA-N 390.325 2.583 0 40 GFAB COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 12806199 YTJYMWCGBCSYAK-UHFFFAOYSA-N 391.445 2.577 0 40 GFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCNC(=O)NC1CCCCC1 12916203 IYPRUSPUHQROEE-UHFFFAOYSA-N 394.903 2.759 0 40 GFAB CSc1ccc(CN(C)CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)cc1 12971323 KDKZTSWCXYDRKK-UHFFFAOYSA-N 386.477 2.925 0 40 GFAB CCN(CC)Cc1ccccc1CNS(=O)(=O)c1cccc(C(=O)O)c1 13313879 NZPWZOOUVSDYQT-UHFFFAOYSA-N 376.478 2.705 0 40 GFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 13424776 FGCRNGIMEMHLIU-GLHSZLCASA-N 391.423 2.725 0 40 GFAB biogenic COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc2c(c1)OCO2 13961509 IKPSDVICGRGORB-KSSFIOAISA-N 389.429 2.791 0 40 GFAB CCc1ccccc1NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 14135871 IKBJWNHOHXOTRY-UHFFFAOYSA-N 380.491 2.584 0 40 GFAB O=C(c1cnc2ncnn2c1)c1cc(Cl)cc(CSc2ncccn2)c1O 14169888 PCJXBIKTGMOXMC-UHFFFAOYSA-N 398.835 2.797 0 40 GFAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15739968 AXRORFJSLQZJCT-UHFFFAOYSA-N 376.478 2.668 0 40 GFAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 16594759 NLGHEJMIISPUSE-UHFFFAOYSA-N 379.460 2.761 0 40 GFAB CCCCOc1ccc(-c2nc3s/c(=C/c4cccnc4)c(=O)n3n2)cc1 16731685 QUIYKOVTGBBZTH-SFQUDFHCSA-N 378.457 2.940 0 40 GFAB O=C1CCOC[C@]2(CN(Cc3ccc(F)c(F)c3)C[C@H]2c2cccc(F)c2)N1 19294277 XSQHZTLUGIXCKK-UWJYYQICSA-N 390.405 2.979 0 40 GFAB O=C(c1cccnc1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 19337377 ROGJWDHTGAEXHQ-UHFFFAOYSA-N 392.434 2.997 0 40 GFAB CN(C)[C@@H](CNC(=O)c1nc2ccccc2n(C)c1=O)c1cccc(Cl)c1 19666302 NRBHDDQISNVBFQ-KRWDZBQOSA-N 384.867 2.620 0 40 GFAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 19711007 UTHIOONBXPXGNN-CQSZACIVSA-N 398.898 2.878 0 40 GFAB CN1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1OCCN1CCCC1=O 19712514 VXYSKJWWMAZMBU-VQTJNVASSA-N 399.535 2.777 0 40 GFAB COc1ccc(-c2cc(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)nn2C)cc1 19716169 IMEPBFISGKRIGY-CYBMUJFWSA-N 381.480 2.807 0 40 GFAB COc1ccccc1OCc1nnc(SCC(=O)Nc2nccs2)o1 19928458 HWXGPKFXICVTPR-UHFFFAOYSA-N 378.435 2.845 0 40 GFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2ccccc2C1 19930690 MFIQBMOGWLKAMW-UHFFFAOYSA-N 384.501 2.645 0 40 GFAB COc1cccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 20459141 HVRSDRRVSNEXGC-IBGZPJMESA-N 388.489 2.655 0 40 GFAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccccc3)c(CC)nn12 20633728 JAKQLFPENRURGV-UHFFFAOYSA-N 382.420 2.636 0 40 GFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 20768482 RDNXMHCWHQDFIM-UHFFFAOYSA-N 386.395 2.886 0 40 GFAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)Nc1ccc2c(c1)OCO2 22679272 LTJLDTGWTARGEZ-OAHLLOKOSA-N 375.450 2.672 0 40 GFAB O=C(CN1CCCCCC1=O)Nc1cc2c(cc1Br)OCCO2 23039931 BDCFDEKKMJIFSY-UHFFFAOYSA-N 383.242 2.561 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@@H]1COc2ccccc2O1 24942275 FZKWKXFHYYXKPC-MAUKXSAKSA-N 393.447 2.810 0 40 GFAB COc1ccc(/C=C/C(=O)NCC2(N3CCOCC3)CCCCC2)c(OC)c1 29969359 WVFUMNBPXROQRT-VQHVLOKHSA-N 388.508 2.868 0 40 GFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1 30495967 IBHJSXJLPKZFDW-UHFFFAOYSA-N 378.881 2.988 0 40 GFAB COc1ccc(OC)c2c1CN(Cn1c(=O)oc3ccc(Cl)cc31)C[C@@H]2O 32923163 XLRMXYGSOBXNIZ-AWEZNQCLSA-N 390.823 2.772 0 40 GFAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C)cc1 35485494 FODRVPVKISINIZ-PMACEKPBSA-N 397.544 2.886 0 40 GFAB COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)cc12 35686262 DIUQCOUWUSIRNI-SNVBAGLBSA-N 388.449 2.707 0 40 GFAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 35876514 RSJWOWVMKRUPFD-RTWAWAEBSA-N 377.488 2.947 0 40 GFAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)c2ccccc2)CC1 40037377 XTIUVQVNKSHLGY-CYBMUJFWSA-N 385.489 2.769 0 40 GFAB Cc1ccc(NC(=O)CS(=O)(=O)Cc2nc(-c3cccs3)no2)cc1 40070223 URURKVFRTFWVLJ-UHFFFAOYSA-N 377.447 2.660 0 40 GFAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)C1 40107124 XOJXCPQEJKATEJ-IBGZPJMESA-N 393.531 2.894 0 40 GFAB Cc1cccc(OCCNC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)c1 40119228 PRWOMLJBPWDKAJ-UHFFFAOYSA-N 385.493 2.645 0 40 GFAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)c1 40287990 AFHXWFSCQDWJNM-QGZVFWFLSA-N 392.415 2.869 0 40 GFAB CC(=O)N[C@H](CC(=O)N1CCN(Cc2cccs2)CC1)c1cccs1 48248946 OVUFCWRGWCGWMZ-MRXNPFEDSA-N 377.535 2.721 0 40 GFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)s1 48252270 YOBZTFPBLDBPMP-AWEZNQCLSA-N 384.548 2.879 0 40 GFAB O=C([C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccccn2)no1)N1CCCC1 48273407 ALCMZPCYVRUBME-IBGZPJMESA-N 389.459 2.681 0 40 GFAB CCCCN(C)C(=O)Cn1cc(-c2nc(-c3ccc(OC)cc3)no2)ccc1=O 49005942 ZBCWBBSXGVMVFP-UHFFFAOYSA-N 396.447 2.832 0 40 GFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccnc(-n2ccnc2)c1 50170801 OBSRRNKESNTUGM-UHFFFAOYSA-N 379.401 2.901 0 40 GFAB CCCCN(C)C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 57427377 LFBXMFAEZUAHOX-UHFFFAOYSA-N 378.270 2.931 0 40 GFAB O=C(NCC(=O)N1CCC[C@H]1c1ccncc1)c1cc(-c2ccccc2)on1 58228383 HHOGDKOCFSDADJ-SFHVURJKSA-N 376.416 2.830 0 40 GFAB O[C@@H](COc1ccccc1F)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 58505832 AWLHCNUZEWBXSA-DLBZAZTESA-N 388.487 2.763 0 40 GFAB CCS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)C1 62582016 MXILSTMWZZLWHT-DOTOQJQBSA-N 396.553 2.682 0 40 GFAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c1 63764989 MYYUUTFUUYTICV-UHFFFAOYSA-N 381.450 2.542 0 40 GFAB C[C@@H](NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O)c1ccc2c(c1)OCO2 64487269 QHTKKQAJVBCFGT-SNVBAGLBSA-N 396.852 2.931 0 40 GFAB CCS(=O)(=O)CCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 68066032 PJVUQZXSLSXGSD-UHFFFAOYSA-N 399.468 2.933 0 40 GFAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656041 RUKMKTKLXXKIDY-GOSISDBHSA-N 380.496 2.885 0 40 GFAB CCn1nc(C)c(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1C 72241265 GYIONLHHURNEIA-ZWKOTPCHSA-N 390.871 2.710 0 40 GFAB CC(C)C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 72321095 JZTAPWGFGCSKLR-TZIWHRDSSA-N 382.460 2.742 0 40 GFAB biogenic,in-vitro COc1ncc(C2(O)CCN(C(=O)c3oc4ccccc4c3C)CC2)c(OC)n1 72337539 RZDQDFVPJUYHRD-UHFFFAOYSA-N 397.431 2.672 0 40 GFAB Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cc1nc(C)sc1-c1ccccc1)CC2 72346557 ZGYUVTYRKYLMKH-UHFFFAOYSA-N 380.473 2.638 0 40 GFAB NC(=O)c1cc(S(N)(=O)=O)ccc1NCC(c1ccccc1)c1ccccc1 79058009 IXYIWBNWJODRHB-UHFFFAOYSA-N 395.484 2.677 0 40 GFAB CCOC(=O)C[C@H](OC(=O)CCc1nc[nH]n1)c1ccc(Br)cc1 95444253 OMDUPGXDUHFDLK-ZDUSSCGKSA-N 396.241 2.738 0 40 GFAB CCOC(CNC(=O)CNC(=O)CC1CCCCC1)(OCC)c1ccccn1 95464919 DHJCVYZRIKPWNB-UHFFFAOYSA-N 391.512 2.510 0 40 GFAB c1cc2c(cc1-c1noc(-c3nc(-c4ccc5c(c4)OCO5)no3)n1)OCO2 98212346 PPJJSHLOJFSELT-UHFFFAOYSA-N 378.300 2.911 0 40 GFAB O=C(NCc1nnc(S)n1C1CC1)C1(c2ccccc2Cl)CCOCC1 109056229 QMUOLMOCXRBRQL-UHFFFAOYSA-N 392.912 2.920 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 222747890 ONUPRKBQZOXTIC-UHFFFAOYSA-N 376.478 2.759 0 40 GFAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 223587865 QUTYVZCQTFHLPY-PMACEKPBSA-N 394.500 2.846 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1Cl 224167286 CSODJGZXHOVJPV-UHFFFAOYSA-N 396.900 2.607 0 40 GFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)s1 224260890 AWMGQOXRZYMYOZ-BZPMIXESSA-N 392.506 2.566 0 40 GFAB COCc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OC 224401414 KPMFUWXDJOINJU-UHFFFAOYSA-N 398.459 2.528 0 40 GFAB COc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 224406749 HFCIUIKKHWHDKY-UHFFFAOYSA-N 398.868 2.529 0 40 GFAB CCc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225626633 BCFVMIVQKWCEBM-UHFFFAOYSA-N 386.517 2.633 0 40 GFAB O=C(c1cc(C2CC2)on1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 247874018 SELMLRSPFFLHAS-GFCCVEGCSA-N 375.425 2.865 0 40 GFAB CCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1F 252489508 JSEILEXRYHYWKP-UHFFFAOYSA-N 377.825 2.822 0 40 GFAB C[C@H](O)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C(=O)O)[C@H]1CC3 253529879 ZHDGKAOGMGOSPM-GPKRLIPWSA-N 378.509 2.733 0 40 GFAB biogenic,in-vitro Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)cn2)n1C 257248595 JEJBEYFISGWSMC-IBGZPJMESA-N 395.551 2.913 0 40 GFAB CN(C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257330908 XQNUVCBOCIGZCX-RBSFLKMASA-N 393.369 2.615 0 40 GFAB Cc1ccc(C(=O)N2CCC(Cc3cncc(-c4cncn4C)n3)CC2)cn1 257337499 YTANMQBYXFWUID-UHFFFAOYSA-N 376.464 2.675 0 40 GFAB COC(=O)c1ccc([C@H]2CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)CN2)cc1 306145483 GPNXCGBLAHTCQJ-OXQOHEQNSA-N 376.453 2.514 0 40 GFAB O=C(c1ccccn1)N1CCN(C(=O)c2cnccc2Oc2ccccc2)CC1 503174187 TZRPGLNGLWFQDT-UHFFFAOYSA-N 388.427 2.867 0 40 GFAB Cc1nnc(CNC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)s1 543731806 PHHFZHIPLATNAZ-UHFFFAOYSA-N 399.476 2.918 0 40 GFAB Cc1ccccc1CN1CCC(NC(=O)c2cn(C)nc2-c2cnn(C)c2)CC1 548688990 IIDAOIQQEBZXMT-UHFFFAOYSA-N 392.507 2.523 0 40 GFAB CCOc1ccccc1N1C[C@@H](C(=O)N2CCOc3cc(O)ccc3C2)CC1=O 553150907 KYHWTKZKVGOQPA-INIZCTEOSA-N 396.443 2.565 0 40 GFAB CS(=O)(=O)N1CCC(C(=O)NCCc2ccc(-c3ccsc3)s2)CC1 575414001 HISYTQNWIDFFKL-UHFFFAOYSA-N 398.575 2.807 0 40 GFAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096436 NKIPOHVTYKUCFU-AWEZNQCLSA-N 391.475 2.650 0 40 GFAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1=O 585106895 KUBNXZCEOFYFPN-HTAPYJJXSA-N 384.426 2.982 0 40 GFAB CC(C)(C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 585138425 OQGGKCKHIZLCQQ-UHFFFAOYSA-N 399.495 2.983 0 40 GFAB O=C([C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)N1CC(O)(CO)C1 615428104 POTIHUYZSUNNEZ-MRXNPFEDSA-N 381.856 2.878 0 40 GFAB C[C@H](NC(=O)N1CCO[C@@H](C(F)(F)F)[C@@H]1C)c1ncc(Br)cn1 661233532 APTZARMHMRXTAN-OYNCUSHFSA-N 397.195 2.661 0 40 GFAB O=C(CCc1ccccc1Br)N1CCN(c2ccccn2)C(=O)C1 1565522590 LAMSCOGRONLUOG-UHFFFAOYSA-N 388.265 2.652 0 40 GFAB Cn1cnc(C(=O)N2CC[C@@H](OCc3cccnc3)[C@H](Cc3ccccc3)C2)n1 1565543260 JGEAENNYCGZRSA-WOJBJXKFSA-N 391.475 2.500 0 40 GFAB CN1CCN(C(=O)CCCc2nnc(-c3ccccc3)o2)CCC12CCOCC2 1615589077 JQLZNCUWHVEASO-UHFFFAOYSA-N 398.507 2.773 0 40 GFAB Cc1cc(N2CC[C@]3(NC(=O)c4cccc(C(C)C)n4)CCC[C@@H]23)nc(CO)n1 1615610738 GRZHWCQUMFIXTN-XMSQKQJNSA-N 395.507 2.727 0 40 GFAB COc1cccc(NC(=O)N2CCC3(CC2)CC(=O)N(C)c2cc(C)nn23)c1 1772596447 IIPYALTYYJWOQS-UHFFFAOYSA-N 383.452 2.590 0 40 GFAB O=C(NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1)Nc1ccc(F)c(F)c1 1775964105 SAKJRXWVFCPHIF-AWEZNQCLSA-N 391.378 2.743 0 40 GFAB biogenic,in-vitro Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)C2CC(F)(F)C2)CC1 1848591032 DFCKMXWMFPQTIH-UHFFFAOYSA-N 375.419 2.989 0 40 GFAB O=C(CN1CCC[C@](O)(COc2ccccc2)CC1)N1CCc2ccccc21 2037915964 FANNFXCCWDBPCQ-HSZRJFAPSA-N 380.488 2.872 0 40 GFAB O=C(CC1CCC2(CC1)CCN(CC(=O)N1CCCC1)CC2)N1CCCC1 2055822740 ZKMCWEXRSXCMRE-UHFFFAOYSA-N 375.557 2.894 0 40 GFAB CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 780156 KQPBWWABHSESEQ-QFIPXVFZSA-N 381.428 2.674 0 40 GFAB CCc1ccccc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1OC 932173 MSPBLTYYOWCRMN-UHFFFAOYSA-N 399.476 2.973 0 40 GFAB CCCCNC(=O)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 4435648 OOUATBHHRPNRID-MRXNPFEDSA-N 391.265 2.951 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 6790573 GTRXQSFBBMIFNA-UHFFFAOYSA-N 392.477 2.987 0 40 GFAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2OC)cc1 6880362 WWBHCGDGPIKGEP-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB CCn1c(COC(=O)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 6972204 SOMAYDDGVLGAGX-UHFFFAOYSA-N 387.461 2.664 0 40 GFAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C)CC2)cc1 7003332 PTZYDSHLFNZYTI-UHFFFAOYSA-N 387.461 2.828 0 40 GFAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)c1ccc(OC(F)F)cc1 7250159 OAGNSITZMJMHPD-NSHDSACASA-N 388.330 2.692 0 40 GFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C 7513519 UVAXWFKPOACQFM-AWEZNQCLSA-N 397.406 2.808 0 40 GFAB CC(C)NC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996421 KUBMYRXNXBVKBT-AWEZNQCLSA-N 385.464 2.583 0 40 GFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)c1 8186071 UQIPZPUNVSLDCL-UHFFFAOYSA-N 389.473 2.932 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1 8479725 WDNGHXJLBNJPAW-UHFFFAOYSA-N 388.823 2.701 0 40 GFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nnc(-c2ccccc2)o1 8582884 ZSEXLHYPCLHPLO-UHFFFAOYSA-N 376.372 2.649 0 40 GFAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8718210 GYMQUTDNCBQUEC-UHFFFAOYSA-N 395.484 2.624 0 40 GFAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nnc(SCC(N)=O)s1 8775300 REOPCBJVIHUTLP-SNVBAGLBSA-N 394.547 2.576 0 40 GFAB C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 8777334 RTPWCGBKSYUQNX-RDTXWAMCSA-N 384.501 2.704 0 40 GFAB O=C1O[C@@H](CNS(=O)(=O)c2ccccc2F)CN1c1cccc(Cl)c1 8838407 RAPQPBMFUKYCFQ-ZDUSSCGKSA-N 384.816 2.783 0 40 GFAB COc1ccc(/C=C\C(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 8987833 AXLUPTFNIPRKBD-SGNXQUTQSA-N 394.427 2.606 0 40 GFAB COCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1 9062267 VOGPZTNLSMSPDI-UHFFFAOYSA-N 382.376 2.582 0 40 GFAB COc1ccc(F)cc1C(=O)COC(=O)C1CCN(C(=O)c2ccco2)CC1 10720613 STXILFOOKJHUKK-UHFFFAOYSA-N 389.379 2.706 0 40 GFAB COc1cc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)ccc1N1CCCC1=O 11446023 YMOLNJCTMOUZGV-IBGZPJMESA-N 399.447 2.808 0 40 GFAB CCCCn1c(SCC(=O)N[C@@H](C)COC)nnc1-c1ccc(OC)cc1 11488735 AGYYSJRUAACZMV-AWEZNQCLSA-N 392.525 2.997 0 40 GFAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1c(F)cccc1Cl 11665972 SACAAYAEGXMRHV-UHFFFAOYSA-N 388.834 2.649 0 40 GFAB COc1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)c(OC)c1 11689880 YOJXGZDJBNOKTE-UHFFFAOYSA-N 385.449 2.719 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccn1 12523076 XJXIVUNCJDXPQG-UHFFFAOYSA-N 389.477 2.907 0 40 GFAB COCCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C 12769549 WSBWMCDRTXTASC-UHFFFAOYSA-N 380.441 2.701 0 40 GFAB O=C(CCn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccnn1C1CCCC1 12776299 SPBFIZYITKAAFW-UHFFFAOYSA-N 385.399 2.983 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c1 13369777 NMPFJWNIAMWBKN-QYXWGXCQSA-N 377.437 2.638 0 40 GFAB CCc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582570 IZCWRNLTOCZQQH-UHFFFAOYSA-N 392.477 2.914 0 40 GFAB COc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 13682717 KWVABDHYIYKZBX-UHFFFAOYSA-N 378.450 2.643 0 40 GFAB C[C@@H](Oc1ccccc1F)C(=O)NCCCn1nc(-c2ccco2)ccc1=O 13802537 CAFNNZIMBIVEDE-CQSZACIVSA-N 385.395 2.616 0 40 GFAB CC(=O)NCCc1ccc(C(=O)CSc2nnnn2C2CCCC2)s1 16550205 OZCRCJFWLDRAFL-UHFFFAOYSA-N 379.511 2.503 0 40 GFAB O=C(CCc1ccccc1F)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19348604 HATIKASRGHPWIK-KRWDZBQOSA-N 392.434 2.920 0 40 GFAB CC(C)c1cc(C(=O)NCC2(c3ccccc3F)CCOCC2)nc2ncnn12 19452621 RDAUCJCNZODVFJ-UHFFFAOYSA-N 397.454 2.865 0 40 GFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NC4CC4)C3)cc2N1 19520801 LDPQKVOLCWPZKP-LALPHHSUSA-N 385.434 2.649 0 40 GFAB Cc1c(-c2cc(C(=O)Nc3ccccc3OCCn3cccn3)on2)cnn1C 19554264 SYVULFPMCFBXDM-UHFFFAOYSA-N 392.419 2.911 0 40 GFAB COc1ccc(Cc2cnc(NC(=O)Cn3c(C)cc(C)nc3=O)s2)cc1 19572447 JZBHSKOISAULDY-UHFFFAOYSA-N 384.461 2.555 0 40 GFAB CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1nonc1C 19712923 JTRDZEIORRVSQU-AQNXPRMDSA-N 396.491 2.995 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc(F)cc1 20245412 RRVOQLYHNKUQTN-UHFFFAOYSA-N 385.505 2.668 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(C)c1 20636889 XOOXWDQEPNQMHK-UXHICEINSA-N 391.471 2.760 0 40 GFAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C[C@H](C)O1 20963821 LPGUAXMOIFEWAL-IRXDYDNUSA-N 381.476 2.664 0 40 GFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(C3CCCC3)n[nH]2)CC1 21806737 XGZYXHRIGJDFOJ-GFCCVEGCSA-N 380.514 2.745 0 40 GFAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NCCc1ccccc1 22802974 KBSLCJJVOWEVBF-UHFFFAOYSA-N 394.544 2.773 0 40 GFAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]32)c1 23125749 WDQZGRMUVKQWMB-QZTJIDSGSA-N 380.404 2.818 0 40 GFAB C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(OC)c1 24020715 UKXPSECTGOMVMX-SNAWJCMRSA-N 380.400 2.972 0 40 GFAB CCN(C(=O)CSc1nnc(COc2ccccc2F)n1N)C1=CCCC1 24092988 KZVKEKVRARZKAT-UHFFFAOYSA-N 391.472 2.718 0 40 GFAB O=C(CCN1CCC[C@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 24880422 COOYACSVPNIEFD-AWEZNQCLSA-N 390.509 2.561 0 40 GFAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccccc1C(F)(F)F 24924551 OFDXONNJIZJUFS-UHFFFAOYSA-N 380.370 2.537 0 40 GFAB CCNS(=O)(=O)c1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 26065454 RTONNVCPZOGTBY-UHFFFAOYSA-N 391.474 2.631 0 40 GFAB CC(C)[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 26607014 DGIKURUGRZDOCP-CQSZACIVSA-N 385.430 2.624 0 40 GFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccnc1 28200299 OMFMRBPCYFWGNT-MRXNPFEDSA-N 377.897 2.903 0 40 GFAB CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2N2C(=O)CSC2=O)cc1 28283993 FFVIJWHISBSCPU-LSDHHAIUSA-N 382.507 2.534 0 40 GFAB NC(=O)C1CCN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 28927659 UPTNWYBGVNDGOI-UHFFFAOYSA-N 395.507 2.666 0 40 GFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(S(C)(=O)=O)c1 32772618 DGXRISNLOKFXRL-QGZVFWFLSA-N 389.477 2.875 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)NC1CCCC1 32910128 ADLPSKWLFQWGEJ-CXAGYDPISA-N 378.444 2.571 0 40 GFAB Cc1ccc(-c2cc(C(=O)N3CCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325676 NPLZVYKDBLBQCQ-KRWDZBQOSA-N 387.505 2.763 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)c(C)c1 33695301 YQSHJBVCZWPRQY-UHFFFAOYSA-N 380.897 2.941 0 40 GFAB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092937 VCHULGRMZLQLLR-RVKKMQEKSA-N 394.349 2.805 0 40 GFAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccccn2)n1 35424906 YARLLDNDNLXOCB-KRWDZBQOSA-N 380.452 2.922 0 40 GFAB biogenic,in-vitro CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O 35681853 RYVLWJKPEIZOAD-UHFFFAOYSA-N 384.457 2.632 0 40 GFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](C(=O)O)c1ccccc1 35686280 XMMPWWRAARJQHV-NRFANRHFSA-N 395.411 2.985 0 40 GFAB COc1ccc([C@@]2(C)NC(=O)N(Cc3nc4ccccc4nc3C)C2=O)cc1 40159311 ZUZOQWBFUPCZHY-OAQYLSRUSA-N 376.416 2.914 0 40 GFAB COc1ccccc1CN(C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 44850198 QFQMKZFBKKAGFX-UHFFFAOYSA-N 390.505 2.737 0 40 GFAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)C1 44946703 ZLTMZVPWOAZQAJ-HNNXBMFYSA-N 382.501 2.626 0 40 GFAB CS(=O)(=O)c1ccc(CNC(=O)c2cccc(OCc3cccnc3)c2)cc1 53016149 UYSTUBXXHATOER-UHFFFAOYSA-N 396.468 2.994 0 40 GFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c1 54778342 OFVLBLMNYWKWTK-INIZCTEOSA-N 396.491 2.960 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 57478799 GEHAZCIGVDFKLP-UHFFFAOYSA-N 383.473 2.614 0 40 GFAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(=O)[nH]c1 58160494 YVQXSRXGBHJFQV-UHFFFAOYSA-N 388.471 2.949 0 40 GFAB CNCC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 63159722 IWULLXTUXQYQIA-UHFFFAOYSA-N 381.723 2.723 0 40 GFAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 67477340 VMVNELLCUSJBDD-KXBFYZLASA-N 376.460 2.974 0 40 GFAB Cc1nn(C)c(Cl)c1COC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 71185797 XYZXWHPJWCECSB-GFCCVEGCSA-N 377.828 2.629 0 40 GFAB O=C(C[S@@](=O)Cc1cc(Cl)c2c(c1)OCCO2)NCc1cccs1 71801113 HIPNYCXICGQBQC-XMMPIXPASA-N 385.894 2.738 0 40 GFAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NCc2cccnc2)Oc2ccccc21 72338985 CSOMFKMFUCXVEM-DYXSILKMSA-N 377.444 2.653 0 40 GFAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1nc(-c2cccnc2)no1 79109445 WUCWITWQSKQYOV-CQSZACIVSA-N 383.427 2.750 0 40 GFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(O)cc1)SCC(O)=N2 79486238 YGGBNCHVLQTQDQ-MLGOLLRUSA-N 393.490 2.681 0 40 GFAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 84398037 XRNXUFPOCAKLBF-KRWDZBQOSA-N 384.407 2.518 0 40 GFAB C[C@H]1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cn2)C[C@H](C)O1 84713713 UFSIUSAPQIUCOZ-HOTGVXAUSA-N 388.512 2.863 0 40 GFAB COc1ccc(C(C)=O)cc1C[S@](=O)CC(=O)N(C)Cc1ccc(C)o1 89652946 XVXDRYGJQKUNDJ-AREMUKBSSA-N 377.462 2.707 0 40 GFAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CSC[C@H]1C(=O)NCC1CC1 95393382 RQCDZJJDBBWIKA-LPHOPBHVSA-N 388.533 2.933 0 40 GFAB COCCn1cc(CC(=O)NCCn2cnc3ccccc32)c2ccccc21 95475165 XCZUWJAVOBLSIC-UHFFFAOYSA-N 376.460 2.996 0 40 GFAB COc1ccc(S(=O)(=O)N2CCCc3ccccc3C2)cc1C(=O)N(C)C 95959883 MGXOACNKICABON-UHFFFAOYSA-N 388.489 2.534 0 40 GFAB CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NCCc1cccc(O)c1 95972464 QEUDCWNBTROEKA-UHFFFAOYSA-N 396.472 2.597 0 40 GFAB COc1ccc(C(=O)C2CCN(C(=O)c3ccc4nnn(C)c4c3)CC2)cc1 96013859 ZHUXZIIHSGLCKU-UHFFFAOYSA-N 378.432 2.712 0 40 GFAB CCCCNC(=O)N1CC[C@@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 96225791 RPWUIMAVMLJDMY-HRAATJIYSA-N 386.496 2.637 0 40 GFAB CC(C)n1nc(CN2CCCC2)c2c1CN(S(=O)(=O)c1cccs1)CC2 96255950 QCXXUNBQWBKEOG-UHFFFAOYSA-N 394.566 2.868 0 40 GFAB Cc1cc(C)cc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 101340508 NMPFJWNIAMWBKN-ZNFSNMQZSA-N 377.437 2.638 0 40 GFAB CS(=O)(=O)c1ccc(-c2nc(CN3CCN(CC4CC4)CC3)cs2)cc1 102923633 OJYKGCWCLCLMSU-UHFFFAOYSA-N 391.562 2.741 0 40 GFAB COc1ccccc1CNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113940672 NJPZFGLVFPZPRV-CYBMUJFWSA-N 396.896 2.820 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 113958083 DYKPCXVKKBHMGJ-HNNXBMFYSA-N 388.489 2.971 0 40 GFAB COC(=O)c1ccc2c(c1)CCN2Cn1nc(-c2cccnc2)n(C)c1=S 164767087 KULOAFYLIZRSOJ-UHFFFAOYSA-N 381.461 2.820 0 40 GFAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 195544684 SLBDYNPOLNNDQV-QGGNESHTSA-N 389.927 2.960 0 40 GFAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NC[C@H]1CCCO1 217580547 KXVMMZMXCRRPNN-CQSZACIVSA-N 382.482 2.587 0 40 GFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(C)cc3)ccc21 223360957 JZFZJVCWEBVURF-UHFFFAOYSA-N 388.489 2.651 0 40 GFAB COc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccccc2)cc1Cl 225166177 HFBDVSCAKZTKEV-OAHLLOKOSA-N 383.853 2.665 0 40 GFAB Cn1nccc1-c1nc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)no1 225585199 DDUGKMVYROFKRI-UHFFFAOYSA-N 390.447 2.900 0 40 GFAB O=C(NCCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225586225 ZQINZDQKNYTMSI-UHFFFAOYSA-N 397.922 2.530 0 40 GFAB COc1ccc(OCC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C(C)=O)cc1 257223537 DXUZTUVEHJJRBT-QRXQEZHUSA-N 386.492 2.855 0 40 GFAB CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 257250706 JNRUDQBCAHELSL-HSZRJFAPSA-N 397.519 2.595 0 40 GFAB CO[C@@H]1CCC[C@H](C(=O)N[C@H](C)Cn2nc3c(C)cc4ccccc4n3c2=O)C1 257366566 VZBTWOYGTMIHFI-BPQIPLTHSA-N 396.491 2.668 0 40 GFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cccc2C)cc1C 408552277 LAYLQGJSYUTJFF-OAHLLOKOSA-N 376.478 2.926 0 40 GFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1C 408644210 FKENTRHZTPPYBW-UHFFFAOYSA-N 375.446 2.649 0 40 GFAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408681298 HPWRTLBCRJAOPS-CAMMJAKZSA-N 375.428 2.800 0 40 GFAB CCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC 504664827 HVCNFRMMBHVNIZ-YUXAGFNASA-N 390.524 2.898 0 40 GFAB biogenic O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)N1CC[C@@H](Oc2ccncc2)C1 510401624 IRQOTUNSJGZJHO-ILZDJORESA-N 397.450 2.653 0 40 GFAB COc1ccc(CC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1OC(F)F 529440027 YKNYOXPSKZUWGR-KRWDZBQOSA-N 396.434 2.602 0 40 GFAB O=C1NCCN1c1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)ccc1Cl 568051223 PQYJMENKJVIPLE-WBVHZDCISA-N 385.851 2.818 0 40 GFAB Cc1cc(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)nn1C(C)C 573473624 QSRNGGVKVIVPGB-AAEUAGOBSA-N 382.511 3.263 0 40 GFAB CCOc1ccc(S(=O)(=O)NCCn2cc(-c3ccoc3)cn2)cc1F 575615495 PJARMAKOPXXCIK-UHFFFAOYSA-N 379.413 2.659 0 40 GFAB COc1cccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c1 585111155 GYCCEHMYQMRCIJ-HXUWFJFHSA-N 377.444 2.984 0 40 GFAB C[C@@H](C(=O)NCc1ccc(Br)cc1)n1nc(C2CC2)ccc1=O 585411203 CQAJKFIGTWMDFT-NSHDSACASA-N 376.254 2.761 0 40 GFAB Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)nn1C1CCOCC1 625810575 GBJDDDQZRCPEJI-MOPGFXCFSA-N 386.471 2.639 0 40 GFAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(Cn3cccn3)cc2)C1 626329964 DWTYTFQFBUCSHE-SLFFLAALSA-N 383.496 2.695 0 40 GFAB Nc1ncc(Br)c(I)c1Br 1775955946 ZSLPQODRAUGHGY-UHFFFAOYSA-N 377.805 2.793 0 40 GFAB Cc1noc(C)c1CC(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775973619 PNAFUXQKHDZAEL-UHFFFAOYSA-N 395.438 2.777 0 40 GFAB COc1ccc(C[C@@H]2CN3CCN(C(=O)OCc4ccccc4)C[C@H]3CO2)cc1 2037569108 ZJOJFQWSWAYZDV-RBBKRZOGSA-N 396.487 2.960 0 40 GFAB CC(C)N1CCCC[C@@]2(CN(C(=O)CCc3ccccc3F)CCO2)C1=O 2037985663 RJBQYHPHDLTLHL-OAQYLSRUSA-N 376.472 2.777 0 40 GFAB CCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 857838 XXQXHCIEMPFILN-UHFFFAOYSA-N 388.489 2.903 0 40 GFAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1 993319 XQWXCTJEFMDOBH-QGZVFWFLSA-N 395.411 2.561 0 40 GFAB Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)no1 2649345 BSYBQLKSCYWWSD-UHFFFAOYSA-N 388.811 2.985 0 40 GFAB CCOc1ccc(OCCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 3327056 ZDLFTKMPDMQTSJ-NRFANRHFSA-N 382.416 2.694 0 40 GFAB O=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1cccc(Br)c1 3340591 WFBNJNSFVRGVRR-UHFFFAOYSA-N 381.226 2.561 0 40 GFAB CSCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 3344297 YULHIEVRMYVKRU-UHFFFAOYSA-N 380.495 2.586 0 40 GFAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NCc1ccc(F)cc1 4376976 XDNVVVITOIGPIB-UHFFFAOYSA-N 394.435 2.734 0 40 GFAB Cc1ccc(C)c(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 4488712 AOWIXFQNVGMGPM-UJHHCITNSA-N 377.437 2.638 0 40 GFAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1F 4507850 GZLKOONRVVLLRR-UHFFFAOYSA-N 378.350 2.610 0 40 GFAB COc1cc(/C=C(/Sc2nnc(C)[nH]2)C(=O)O)cc(Br)c1O 4739725 ULBWTQCWZBBKSQ-BJMVGYQFSA-N 386.227 2.808 0 40 GFAB O=C(CSc1nnnn1-c1ccccc1)Nc1cc(C(=O)O)ccc1Cl 4784001 QNALUPZWMHPNQU-UHFFFAOYSA-N 389.824 2.745 0 40 GFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 4815161 MZNSVYLYJRELLA-LBPRGKRZSA-N 388.917 2.952 0 40 GFAB COc1ccc(C2=NO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1OC 4904607 LARVBNPXXULYQC-NRFANRHFSA-N 395.459 2.546 0 40 GFAB Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1N1CCCCS1(=O)=O 5439545 KKFWIFOMSGEMMW-UHFFFAOYSA-N 376.453 2.994 0 40 GFAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)s1 5938958 YKKLLDOPNJJORT-UHFFFAOYSA-N 390.889 2.868 0 40 GFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc3n1CCCCC3)OCO2 6098471 VXAZROJGUTZLIR-UHFFFAOYSA-N 388.449 2.667 0 40 GFAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1 6679556 NNEYHTUICJNQCX-UHFFFAOYSA-N 382.463 2.566 0 40 GFAB CCOc1cc2c(cc1/C=C/C(=O)NCCc1nnc3ccccn13)O[C@H](C)C2 6757024 AOOLEICXBZCAIP-MVGZEHJDSA-N 392.459 2.824 0 40 GFAB Cc1cc(C)cc(OCCN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 7090853 RKTYRAZQXUAYKA-JOCHJYFZSA-N 396.443 2.921 0 40 GFAB CC1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 7389266 ULOJNKBFAGZKFK-INIZCTEOSA-N 379.526 2.530 0 40 GFAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422996 KSKKJHVCWAOVTB-UHFFFAOYSA-N 383.839 2.587 0 40 GFAB CCCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 7485296 UGGYUICZTNVCGI-HNNXBMFYSA-N 389.521 2.974 0 40 GFAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC[C@@H](C)c1ccccc1 7679653 PKXNQNROTYFWLN-CABCVRRESA-N 378.428 2.993 0 40 GFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 7801694 YMPKEPZVMDEOLQ-UHFFFAOYSA-N 397.427 2.869 0 40 GFAB COc1cc(SC)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7975392 HOLTUKFBKALLFV-LLVKDONJSA-N 388.445 2.700 0 40 GFAB O=C(CNC(=O)c1ccco1)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 8071433 DEQMFFZDWGDBRG-UHFFFAOYSA-N 393.399 2.557 0 40 GFAB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)cc(OC)c1OC 9109863 WESCNTMHRNNBBR-JTQLQIEISA-N 391.449 2.652 0 40 GFAB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 9164644 MBKKCNVGUBEVSA-KRWDZBQOSA-N 394.406 2.658 0 40 GFAB COc1ccccc1[C@@H]1c2c(-c3ccc(C)cc3)nnc(O)c2Nc2nnnn21 10232577 NLQWEMUUBNERTF-GOSISDBHSA-N 387.403 2.847 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)[nH]c(C)c1C(C)=O 10914139 GCOCYGOBIPZUMN-UHFFFAOYSA-N 381.841 2.674 0 40 GFAB CCOC(=O)Nc1cccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1 11360417 LPUWLZNTRLAXHD-UHFFFAOYSA-N 391.449 2.557 0 40 GFAB Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)nc12 12128038 DMCGKAFOPVYPEL-INIZCTEOSA-N 397.523 2.838 0 40 GFAB COc1ccc(-c2nccc3ccn(CC(=O)N4CCOCC4)c23)cc1OC 12135470 JIWNPRWFACDGJH-UHFFFAOYSA-N 381.432 2.579 0 40 GFAB CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc21 12486993 FSCJSQJJENLFRA-UHFFFAOYSA-N 385.272 2.991 0 40 GFAB c1ccc(-c2cn3nc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)sc3n2)cc1 12520093 YTZWQLVSPMVZQE-AEFFLSMTSA-N 399.520 2.607 0 40 GFAB COc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1OC 12731169 MYDGCLICUODOGS-LBPRGKRZSA-N 392.402 2.931 0 40 GFAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)n1 12742737 UGCAAVZUVBZGAU-AWEZNQCLSA-N 379.507 2.799 0 40 GFAB O=C(OCc1nnnn1-c1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 12781043 OGOOANVPPMZEIC-UHFFFAOYSA-N 386.415 2.694 0 40 GFAB COc1cc2c(cc1OC)CN(CN1C(=O)[C@@H](C)N(c3ccccc3)C1=O)CC2 12914209 PFBDNKWIWBPWRF-OAHLLOKOSA-N 395.459 2.877 0 40 GFAB CN(CC(=O)Nc1cc2c(cc1Cl)OCO2)C[C@@H]1COc2ccccc2O1 12945900 MUEMGQWZPJUWEY-GFCCVEGCSA-N 390.823 2.779 0 40 GFAB Cc1sc2nc(CN3CCCCC3)nc(Sc3nnnn3C)c2c1C 13001434 SYRXJCRJGADFSP-UHFFFAOYSA-N 375.527 2.969 0 40 GFAB Cn1c(CCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3cccs3)ccc21 13693739 JNIQAXPLEFXKQF-MRXNPFEDSA-N 398.488 2.725 0 40 GFAB O=C(c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1 15855336 FBOSHTDVRZGNRF-UHFFFAOYSA-N 382.844 2.626 0 40 GFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCC(C)(C)N1CCOCC1 16085857 DLQKFDFFPRSWDY-UHFFFAOYSA-N 382.570 2.990 0 40 GFAB C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)c(F)c1 16208077 CENIYJFATYCZJY-QWRGUYRKSA-N 387.338 2.764 0 40 GFAB O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccc2)CC1 16959243 RUBMBIZBALXCBM-UHFFFAOYSA-N 379.460 2.541 0 40 GFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c(C)c1 17960865 CXKUJYCRULCYHI-MRXNPFEDSA-N 397.450 2.859 0 40 GFAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F 18114896 WHRZOKXKXLUMPX-UHFFFAOYSA-N 378.425 2.871 0 40 GFAB COCCOc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2nccn2C)cc1 19291385 FYMHMAHDLQNNEE-QIDMFYOTSA-N 385.508 2.565 0 40 GFAB C[C@@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)c2C1 19497125 IDEOWRDIRPUADZ-DYVFJYSZSA-N 381.480 2.555 0 40 GFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529569 NAZXNBZGXAPWPN-SUWCGCSTSA-N 396.418 2.598 0 40 GFAB CCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 19533878 MDTXPEWAYKZBOZ-UHFFFAOYSA-N 390.505 2.600 0 40 GFAB CN(C)C(=O)c1[nH]c(C2CCN(Cc3ncc[nH]3)CC2)nc1-c1ccccc1 19697011 CPMYRDKSYCNPRF-UHFFFAOYSA-N 378.480 2.881 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2CC1CC1 19754781 GIGGZWSPPNSVHW-KRWDZBQOSA-N 394.523 2.701 0 40 GFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 19867849 LKSOQPWWEGSDRM-DFQSSKMNSA-N 390.549 2.842 0 40 GFAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007562 ALFKEIYBTXIZME-KBXCAEBGSA-N 378.469 2.630 0 40 GFAB CC(C)NC(=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 20466646 XWGCKTGTYRUWOU-IYGODTBCSA-N 378.557 2.865 0 40 GFAB biogenic,in-vitro Cc1c(CC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)oc2cc(O)ccc12 20590166 VIOCFAAHNMRYLO-UHFFFAOYSA-N 392.455 2.694 0 40 GFAB COc1cc(C(=O)OCCCn2cnc3ccccc3c2=O)cc(OC)c1OC 22468819 XHZKHUKJIZTVIC-UHFFFAOYSA-N 398.415 2.669 0 40 GFAB biogenic CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc1 22627613 ZQYIQVKXHAWVKV-INIZCTEOSA-N 388.493 2.750 0 40 GFAB CCc1nnc(C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)s1 23140824 XHTUIIMESXVTDD-UHFFFAOYSA-N 385.486 2.817 0 40 GFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(Br)cs1 23148943 ZZMMOHAFIXHBNF-OAHLLOKOSA-N 394.294 2.847 0 40 GFAB O=C(NCc1ccnc(N2CCOCC2)c1)N1CC=C(c2ccccc2)CC1 26382470 WHJOXWADCJJMFS-UHFFFAOYSA-N 378.476 2.917 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1C 26893770 BNNHZOFAHQBTTM-UHFFFAOYSA-N 387.505 2.866 0 40 GFAB O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(F)cc1 28052524 KXNDFPCLZZHQNX-UHFFFAOYSA-N 380.416 2.548 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccccc3O)CC2)c1C 36389756 HLPLQBLDHOTYHM-HNNXBMFYSA-N 385.464 2.517 0 40 GFAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)s1 36614682 MGHNWOFETZFILR-UHFFFAOYSA-N 384.392 2.618 0 40 GFAB COC(=O)CNC(=O)c1cc(C2CC2)nc2onc(-c3ccc(OC)cc3)c12 36619256 JAUQWHBORLCGRH-UHFFFAOYSA-N 381.388 2.679 0 40 GFAB CN(Cc1ccc(F)cc1)C(=O)CSc1nc2sccc2c(=O)n1C 36818430 OGJGBIMPMKGACP-UHFFFAOYSA-N 377.466 2.885 0 40 GFAB Cc1nc2cc(F)cc(C(=O)NCc3cccnc3N3CCOCC3)c2nc1C 40153808 VVGYDMSGGAENKR-UHFFFAOYSA-N 395.438 2.547 0 40 GFAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(CCc2ccccc2)C1 40155119 LFXGZBBISIQLGZ-KRWDZBQOSA-N 376.412 2.823 0 40 GFAB CCCCc1ccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)cc1 44241635 BXJZZUVIQSWDAP-UHFFFAOYSA-N 398.580 2.928 0 40 GFAB CSc1nccn1-c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1 44525124 HROLNUKRZGRFLU-UHFFFAOYSA-N 394.504 2.783 0 40 GFAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H]2Cc3ccccc3O2)cs1 48263942 UIHIEPJGMRZFRA-OAHLLOKOSA-N 397.456 2.959 0 40 GFAB NC(=O)c1cn(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc12 48286022 UQALBYNTCJTCQA-OAQYLSRUSA-N 390.487 2.694 0 40 GFAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 48310042 TUVOIGSYVATPBF-OAHLLOKOSA-N 389.927 2.573 0 40 GFAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCCN(c2ncccn2)C1 48355007 UOYOBGIRPYPTQJ-IBGZPJMESA-N 394.523 2.785 0 40 GFAB C[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2ccccc2c1 49581374 HDRCRIMPHSLLNJ-OAHLLOKOSA-N 386.455 2.886 0 40 GFAB CCN1CCC[C@@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C1 51137057 OXGBNKUHTFFGJQ-OAHLLOKOSA-N 386.464 2.979 0 40 GFAB Cc1ccc(CN2CC(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 55387487 GTMJDIAEMDFJGV-LEWJYISDSA-N 398.528 2.626 0 40 GFAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1C 55493495 JYTAPBMFASAFNF-CRAIPNDOSA-N 382.508 2.918 0 40 GFAB COc1ccc(CN(C)Cn2ncc3cn(-c4ccccc4)nc3c2=O)cc1 57085052 SENDEPLZPOSNQX-UHFFFAOYSA-N 375.432 2.680 0 40 GFAB Cc1c(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)oc2c(Cl)cccc12 58154453 QXHKKWDRMSEPEW-UHFFFAOYSA-N 398.850 2.851 0 40 GFAB COc1ccccc1COC[C@@H](O)CN1CCO[C@H](c2ccc(F)cc2)C1 58167120 DAEYUBBZOKTJJV-FPOVZHCZSA-N 375.440 2.785 0 40 GFAB NC(=O)[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccc1 58269173 JZIVASMOYVVAPN-INIZCTEOSA-N 379.229 2.864 0 40 GFAB CCCC(=O)NC[C@H]1CCCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 58390887 RBVYRYOLSUMFKC-MRXNPFEDSA-N 395.544 2.788 0 40 GFAB NC(=O)c1cccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 67043743 QCUJNPGCNJEJTQ-KRWDZBQOSA-N 391.830 2.861 0 40 GFAB O=C(Cn1nc2ccccn2c1=O)N1CC=C(c2cccc3ccccc23)CC1 69034425 BDEROGVNONMZEL-UHFFFAOYSA-N 384.439 2.965 0 40 GFAB O=C(NCCCc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 70927225 BOGNDKUKUPYYOK-UHFFFAOYSA-N 380.492 2.866 0 40 GFAB CCCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393187 XZLZMYKQIVFDDS-GOSISDBHSA-N 390.491 2.954 0 40 GFAB COc1cc(C2=NN(C=O)[C@H](c3ccc4c(c3)OCO4)C2)cc(OC)c1OC 78546242 SLBTVIOVARBNCK-HNNXBMFYSA-N 384.388 2.749 0 40 GFAB Cc1c(C(=O)NCCc2csc(-n3cccn3)n2)cnn1-c1ccccc1 90609456 VGVJSTPECWXZOR-UHFFFAOYSA-N 378.461 2.795 0 40 GFAB CCC[C@@H](C)CS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 95399848 FCWVOWSRTAJTFB-YLJYHZDGSA-N 382.570 2.788 0 40 GFAB O=C(Nc1cnc(-c2ccccc2)nc1)C(=O)N[C@H](CCCO)c1ccccc1 95461422 UWNGWMSQSQGMGU-LJQANCHMSA-N 390.443 2.712 0 40 GFAB O=C(O)c1cccc(CCNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1 95464507 SDNYWDUZZITJHI-LJQANCHMSA-N 380.444 2.738 0 40 GFAB O=C(CCCn1ccnc1)N1CCC(c2nccn2Cc2cccnc2)CC1 95510874 IMDQLHCIIUCEEA-UHFFFAOYSA-N 378.480 2.709 0 40 GFAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@@H]2C[C@H](C)OC2=O)c1 95955872 VCBKWKURCARYPM-SWLSCSKDSA-N 375.450 2.532 0 40 GFAB Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)no1 95993054 BTSTULCZYRRXFY-INIZCTEOSA-N 399.495 2.887 0 40 GFAB Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)no1 96001144 UTRLMROWKNRZEK-QGZVFWFLSA-N 397.410 2.821 0 40 GFAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccc(F)cc1)C2 96237919 XQARYGJXEBCBCT-OAQYLSRUSA-N 385.414 2.528 0 40 GFAB CCOCCCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100179998 VDVSVDCAVITWMQ-NAYASGRBSA-N 386.492 2.874 0 40 GFAB CCOc1ccc(N2C(=O)[C@H]3C(C(C)=O)=NN(c4cccc(C)c4)[C@H]3C2=O)cc1 100982823 XJBNOZBZSXDAQZ-AZUAARDMSA-N 391.427 2.717 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)CC1 101672336 VOPMIRHPBRRTOC-UHFFFAOYSA-N 390.509 2.694 0 40 GFAB CCN(CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc(C)c1 102909720 JOXQWFJRQLTPPG-KDURUIRLSA-N 385.508 2.503 0 40 GFAB CCCC[C@@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102979695 ZTNRQRIGEAIPNV-PBRORARRSA-N 383.282 2.548 0 40 GFAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCO)c1ccccc1 223549541 DPOPSYXCZXAGLS-NRFANRHFSA-N 384.476 2.674 0 40 GFAB COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224632934 NJRXGMXXHOVIHY-UHFFFAOYSA-N 377.462 2.989 0 40 GFAB O=C(CCC(=O)N1CC(n2cc(COc3ccccc3)nn2)C1)c1ccccc1 225627489 FVBYGNVCDVCYEN-UHFFFAOYSA-N 390.443 2.904 0 40 GFAB Cc1ccsc1C(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225762411 YFBOEKGLVIDJLG-UHFFFAOYSA-N 387.436 2.676 0 40 GFAB Cc1noc(-c2ccn3c(CNC(=O)c4nc5ccccc5s4)nnc3c2)n1 238831307 FYSHDPPOQLPJET-UHFFFAOYSA-N 391.416 2.627 0 40 GFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257339901 ZDPPYKRNJVFAQZ-CQSZACIVSA-N 383.901 2.905 0 40 GFAB O=C(O)c1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc1C(F)(F)F 285227335 YBBZRYZPMFGACI-UHFFFAOYSA-N 389.355 2.737 0 40 GFAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 306144566 ZIXZZAGGBGWKMU-FQEVSTJZSA-N 385.504 2.988 0 40 GFAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 390828472 RAZKXVAMKBJDOE-CQSZACIVSA-N 378.812 2.975 0 40 GFAB Cc1ccc(C2CCN(C(=O)c3cccc(N4CCN(C)CC4)n3)CC2)cn1 544038658 IJVSPTXTOBEBBN-UHFFFAOYSA-N 379.508 2.557 0 40 GFAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106192 BEPGMPGMSAIRTD-IPELMVKDSA-N 387.499 2.667 0 40 GFAB C[C@H]1C[C@@H](C(=O)N(CCC(=O)O)Cc2cccc(Br)c2)CCN1C 630189239 GVRMEPYUTZCWCF-ZFWWWQNUSA-N 397.313 2.983 0 40 GFAB O=C1CN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c2ccncc2N1 636929716 ZKJINHOXYDJLCW-BDJLRTHQSA-N 377.322 2.549 0 40 GFAB O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cn(C2CCC2)nn1 648410045 HDCJNGJLCIWWAQ-ZDUSSCGKSA-N 398.417 2.890 0 40 GFAB COC[C@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1Cc1ccccn1 1565545522 JIJYCVYDWJYBSH-GOSISDBHSA-N 375.488 2.803 0 40 GFAB COc1ccc(CN2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)cc1F 1889201603 DHUSEYOEPCBZNR-UHFFFAOYSA-N 396.470 2.749 0 40 GFAB O=S(=O)(N[C@H]1CCCN(c2ncc(Cl)cc2Br)C1)C1CC1 2086867474 QCPMOCTWUDWURZ-JTQLQIEISA-N 394.722 2.548 0 40 GFAB COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C(C)=O)cc2)c1 783273 GJPVGSWKHKLPKQ-UHFFFAOYSA-N 383.433 2.604 0 40 GFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 900839 DPGHMFCYWPXHRI-UHFFFAOYSA-N 382.445 2.550 0 40 GFAB O=C(CS(=O)(=O)c1cccc(Cl)c1)Nc1nnc(C(F)(F)F)s1 1397851 WFVCZBBUYDEJMM-UHFFFAOYSA-N 385.776 2.623 0 40 GFAB CC(C)(C)OC(=O)Nc1snnc1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 79097222 RYFCJNFGYTZYRM-CYBMUJFWSA-N 395.529 2.879 0 40 GFAB Cc1cc(C)n(-c2ccccc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 25013066 HJQOTVUSESHSGJ-HZPDHXFCSA-N 380.448 2.603 0 40 GFAB Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)Nc1c(C)nn(C)c1C 1422685 UGZVACNTWCNZCB-UHFFFAOYSA-N 376.482 2.581 0 40 GFAB CC(=O)OCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 2948915 YERKLPJJGFGFFV-VBKFSLOCSA-N 390.823 2.773 0 40 GFAB Cc1cc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)ccc1NS(C)(=O)=O 26029500 RSSCGGDYXMECTF-SJCJKPOMSA-N 376.434 2.534 0 40 GFAB CC(C)COCCCNC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 26264349 WDYVLJYXVSUGCX-UHFFFAOYSA-N 379.476 2.792 0 40 GFAB CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 6138659 JVJVCDULFKPKSZ-UHFFFAOYSA-N 390.505 2.721 0 40 GFAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(C)cc2C)c1 6681460 GNKHKSOHHGKHBS-UHFFFAOYSA-N 382.507 2.884 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 6880466 JBXHINFESQRRQH-UHFFFAOYSA-N 376.478 2.955 0 40 GFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 8039324 JEPRQZUZMZGCFW-INIZCTEOSA-N 396.443 2.847 0 40 GFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 20634581 YXWDVVGBDRWNGP-HNNXBMFYSA-N 398.381 2.612 0 40 GFAB CCN(CCCNc1nn2cc(-c3ccc(F)cc3)nc2s1)S(C)(=O)=O 54124541 ZBPHQGYGZKNNHN-UHFFFAOYSA-N 397.501 2.680 0 40 GFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1C 20016371 QQNZVVYINSBZMY-GFCCVEGCSA-N 398.431 2.977 0 40 GFAB Cc1cc(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)ccc1F 11006597 OURICCSHYWPHOH-MRXNPFEDSA-N 396.418 2.839 0 40 GFAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 97014025 REWMDLXCKMBJOM-IUODEOHRSA-N 376.482 2.538 0 40 GFAB CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 45744002 IKHUISYEUCAEKC-MRXNPFEDSA-N 381.546 2.651 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 24316528 HLGWJEFTXSIMRQ-HNNXBMFYSA-N 378.538 2.804 0 40 GFAB CN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1cccc(OC(F)F)c1 60040540 QSVSZXATOYVFHD-UHFFFAOYSA-N 378.375 2.765 0 40 GFAB CC1CCN([C@@H](C)CNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 60156300 SEYRUVGKFFAWJO-YJBOKZPZSA-N 377.916 2.930 0 40 GFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 12604604 LMOMNOWIKXCQGU-UHFFFAOYSA-N 398.824 2.806 0 40 GFAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 10314271 BUYPDQRSUXCTSW-UHFFFAOYSA-N 376.434 2.796 0 40 GFAB C[C@H]1CN(C[C@@H]2CCCN2S(=O)(=O)C2=Cc3ccccc3CC2)C[C@@H](C)O1 48285800 DJZWGVVBQSVULJ-QKLQHJQFSA-N 390.549 2.877 0 40 GFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 28196461 BFUNQLZECIDZNZ-UHFFFAOYSA-N 377.418 2.759 0 40 GFAB O=C(CCNS(=O)(=O)c1ccccc1)NCCCSc1ccccc1 12877502 BCMWVXJHTSRPNM-UHFFFAOYSA-N 378.519 2.654 0 40 GFAB Cc1ccc2[nH]c(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)cc2c1 12846670 YLGDKAJFZKXDGL-HDICACEKSA-N 396.535 2.739 0 40 GFAB CN(C(=O)/C=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 12925361 YPDKHKKWLAHERT-VSRDTVRMSA-N 385.485 2.924 0 40 GFAB O=C(CSc1nc(O)c2c[nH]nc2n1)Nc1ccc(Br)cc1F 24746993 UVILAIPBCRCATB-UHFFFAOYSA-N 398.217 2.691 0 40 GFAB C[C@@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N1CCc2ccccc21 12939125 ASWWYIMEFCNLTA-WBMJQRKESA-N 382.391 2.773 0 40 GFAB COc1cc2c(cc1NC(=O)CN1C(=O)NC(C)(C)C1=O)oc1ccccc12 6083099 AXQYEUWIWBZWMN-UHFFFAOYSA-N 381.388 2.864 0 40 GFAB COCCCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(=O)n3ccccc3nc21 5307671 PEAKSAYXGALXSH-HOTGVXAUSA-N 396.491 2.804 0 40 GFAB Cn1cnn(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1=S 14187287 VRERRLUNOQEZJM-UHFFFAOYSA-N 392.838 2.798 0 40 GFAB COc1ccc(-c2c/c(=N\CC(=O)NCC(=O)O)c3cc(C)ccc3o2)cc1 19792885 OJLXMDCXLQDGSS-OQKWZONESA-N 380.400 2.518 0 40 GFAB Cc1cc(O)cc(=O)n1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 96223533 HCJFOTHOZRFOEX-UHFFFAOYSA-N 385.395 2.549 0 40 GFAB C[C@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)N3C[C@@H](C)OC(C)(C)C3)C2)CC(C)(C)O1 67237268 KUTBNEJIWOKSET-USTZCAOPSA-N 394.556 2.845 0 40 GFAB Cc1cccn2cc(COC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)nc12 16279696 NCCGGJKUJICFSK-UHFFFAOYSA-N 380.372 2.996 0 40 GFAB Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CSC2 72400509 FUKBKIYHZQJXNI-JTQLQIEISA-N 376.869 2.812 0 40 GFAB CCN1CCN(c2nccc(C(F)(F)F)c2I)CC1 95437075 TVKAVEQDSCKPKR-UHFFFAOYSA-N 385.171 2.847 0 40 GFAB CC[C@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c1 89942786 PTJNSSCBYWJWPA-YJBOKZPZSA-N 377.510 2.816 0 40 GFAB COCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 22275503 NHRPOUNRJBTOCQ-UHFFFAOYSA-N 390.505 2.570 0 40 GFAB CC(=O)c1cccc(Nc2nnc(SCc3cccc(C)c3)n(N)c2=O)c1 28535864 TVMPDKRASBPFRI-UHFFFAOYSA-N 381.461 2.899 0 40 GFAB CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2ccccc21 408713109 KLKUBLAPHNJSCC-UHFFFAOYSA-N 391.471 2.992 0 40 GFAB COc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 38756587 HSDPQVYTJYAHNQ-UHFFFAOYSA-N 396.896 2.773 0 40 GFAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc1 35590044 YKGHMKIHVTWWQH-MDWZMJQESA-N 398.444 2.639 0 40 GFAB O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 500516314 IBVNRGJPYAZMGB-CQSZACIVSA-N 388.826 2.878 0 40 GFAB COc1ccc2c(=O)c(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)c[nH]c2c1 32926821 JXMIWEDWGVNXCX-UHFFFAOYSA-N 393.443 2.830 0 40 GFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C3CCCCC3)nc21 72370967 XVJUQGDGTUGGOM-UHFFFAOYSA-N 388.512 2.639 0 40 GFAB Cn1nc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C)c(Cl)c1Cl 36616104 CPOPHWCCEJAUPP-UHFFFAOYSA-N 379.251 2.816 0 40 GFAB Cc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)c1 71980669 ABDWEUJOSVEKBO-HXUWFJFHSA-N 394.471 2.913 0 40 GFAB O=C(NC1CCCC1)c1ccc(Cl)c(NC(=O)c2nccnc2C(=O)O)c1 72403386 CUQZCNWXPDUVSK-UHFFFAOYSA-N 388.811 2.753 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44933568 NOKIOGRCROWFOV-DNVCBOLYSA-N 388.489 2.708 0 40 GFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N(C)c1ccc(C)c(C)c1 226069256 ZGXAVWFAFQOXAC-UHFFFAOYSA-N 394.468 2.735 0 40 GFAB CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 225215141 FFYWVWIDXGPIGN-PKOBYXMFSA-N 380.554 2.822 0 40 GFAB C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223253244 AACWEJRWXCZFDT-INIZCTEOSA-N 386.517 2.814 0 40 GFAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 223140467 GPQXVLTWXJMJHY-UHFFFAOYSA-N 388.489 2.969 0 40 GFAB Cc1nc(-c2nnsc2C(=O)OCCCNC(=O)c2cccc(F)c2)co1 223862417 XREZXOZHDQCLCD-UHFFFAOYSA-N 390.396 2.618 0 40 GFAB Cc1ccc(CN(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 223243427 FYCYZWVRRGNYTK-UHFFFAOYSA-N 380.897 2.726 0 40 GFAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96228480 HSGRKVMRIIHTOE-HTAPYJJXSA-N 385.508 2.757 0 40 GFAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 96036864 MEMDWDSFZDFBSN-QGZVFWFLSA-N 388.537 2.703 0 40 GFAB Cc1cc(=NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)[nH]n1-c1ccccc1 581120667 ZNOARLYVGCDNQR-KRWDZBQOSA-N 381.480 2.611 0 40 GFAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(C(=O)CN3CCCCC3)CC2)C1 257226274 FJYLATFOBOPMNJ-FQEVSTJZSA-N 389.515 2.898 0 40 GFAB CCc1ccc(C=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1 254792394 XSTJEDXAVVRYFP-UHFFFAOYSA-N 393.468 2.945 0 40 GFAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4[nH]c5ccccc5c4C3)[C@H]2N1 67142118 CBXOPGGSUUGLQL-GGPKGHCWSA-N 398.532 2.778 0 40 GFAB biogenic CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3oc(C)nc3C)CC2)n1 12142988 XIJPICSBTAHJQC-UHFFFAOYSA-N 399.495 2.500 0 40 GFAB CN(C)[C@H](CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 12203675 VJCPAESDNBZILW-GCJKJVERSA-N 395.459 2.718 0 40 GFAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)cc2n1 12276467 AAVYAVBUWGZORF-KRWDZBQOSA-N 395.463 2.670 0 40 GFAB CCn1c(=O)n(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)c2ccccc21 12993480 UWXWLZOQTAIZSA-CQSZACIVSA-N 383.448 2.718 0 40 GFAB COc1cc(NC(=O)COc2cc(C(C)=O)ccc2NC(C)=O)cc(OC)c1 16343706 HNNIJFOGKLMPDM-UHFFFAOYSA-N 386.404 2.882 0 40 GFAB COc1c(C)cccc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19235857 AQARCVGUBFIADT-UHFFFAOYSA-N 380.492 2.801 0 40 GFAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n1 19285940 VOTPDHVGRWVIRN-OAHLLOKOSA-N 383.496 2.725 0 40 GFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCN(CC(C)=O)C1 19530015 AJRANGSYDNTGTF-IERDGZPVSA-N 390.455 2.943 0 40 GFAB CN(C)c1nccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccccc2F)n1 19585821 OKDVGSAWHIIXPN-GOSISDBHSA-N 394.454 2.978 0 40 GFAB COCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C2=O 19593512 FPLUFNZDGDCNJF-XUZZJYLKSA-N 392.499 2.697 0 40 GFAB CC(=O)N[C@@]12CN(Cc3cccc(OC4CCCC4)c3)CC[C@@H]1CN(C(C)=O)C2 19713568 UMRHSTGKYLPAST-NFBKMPQASA-N 399.535 2.567 0 40 GFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)c(OC)cc2C)C1=O 8333991 UVCRGNDSFLVXBX-YBEGLDIGSA-N 392.477 2.501 0 40 GFAB CCc1onc(C)c1C(=O)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 12276275 QFVILDOSAXTQQC-UHFFFAOYSA-N 394.435 2.518 0 40 GFAB CC(C)(C(=O)O)C1(O)CCN(S(=O)(=O)c2csc3ccccc23)CC1 560419665 YTERELLNIOXDPY-UHFFFAOYSA-N 383.491 2.528 0 40 GFAB COc1ccc([C@H](NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)C(=O)O)cc1Br 563200239 LDERUBUGCOGHSO-KNUWBNEDSA-N 386.242 2.513 0 40 GFAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)N1CCN(c2ccccc2)CC1 5687613 DMBOSXBSPQZLRU-UHFFFAOYSA-N 391.471 2.993 0 40 GFAB Cc1cc2nnc(SCC(=O)N3CCCC[C@H]3C(=O)O)n2c2ccccc12 13416512 YDYOTOWDAGKFOJ-HNNXBMFYSA-N 384.461 2.749 0 40 GFAB NC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 21705539 CFBJSDFLTAUECR-QGZVFWFLSA-N 381.432 2.603 0 40 GFAB CCS(=O)(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccsc2)CC1 2056225589 SPEZXZCNRHFBDE-KRWDZBQOSA-N 384.567 2.733 0 40 GFAB O=C(NCCC1=CCCCC1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374462 CLMXEOAHQQDHEV-INIZCTEOSA-N 385.464 2.753 0 40 GFAB COc1ccccc1CNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438226 MVLKTIRBZAPRTF-UHFFFAOYSA-N 388.493 2.648 0 40 GFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cc3cccs3)n2)cc1 9844332 OALXYTWQPWMMNA-UHFFFAOYSA-N 383.473 2.729 0 40 GFAB COc1ccc(OCc2noc(CNC(=O)Cc3sc(C)nc3C)n2)cc1 49027439 NSJDCOKHEJOEQE-UHFFFAOYSA-N 388.449 2.589 0 40 GFAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1Cl 4314894 LLCSTSQKPLJBKS-GFCCVEGCSA-N 381.215 2.858 0 40 GFAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 68339096 SFQUILBLOSDEAD-DIFFPNOSSA-N 394.880 2.511 0 40 GFAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1COCC(=O)N1Cc1ccccc1 70641289 UEINDTYCRLJSBM-QGZVFWFLSA-N 394.456 2.571 0 40 GFAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 2423907 AJYDXIPSQULZLA-GKAYAJSDSA-N 375.424 2.731 0 40 GFAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)cc1 101170870 NSVJBXXWSGHFDE-XUVXKRRUSA-N 377.444 2.621 0 40 GFAB COc1ccccc1NC(=O)Cc1noc(CN2CCc3sccc3C2)n1 21418852 LRKXLBVEGLXOKE-UHFFFAOYSA-N 384.461 2.879 0 40 GFAB COc1cccc(CNC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)c1 32744492 SGSRITXMINEYCB-MRXNPFEDSA-N 391.514 2.904 0 40 GFAB CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 32899072 BLOUUWUCKVACSG-SFHVURJKSA-N 385.464 2.945 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)s1 22689587 PRUCWTFKQRVGHZ-HNNXBMFYSA-N 396.509 2.913 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1 646746 NLPPVCJHCYAHHN-UHFFFAOYSA-N 390.490 2.974 0 40 GFAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 1509761 QJPQQOSBPUPONP-UHFFFAOYSA-N 388.489 2.885 0 40 GFAB O=C(O)c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1 2200870 CTJGFHDKWNVPHG-CQSZACIVSA-N 386.385 2.717 0 40 GFAB CO[C@@H](NC(=O)N[C@H](OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3137452 MBYIBLBGRZGQGT-QWWZWVQMSA-N 382.886 2.971 0 40 GFAB NS(=O)(=O)c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1 3337277 UEWHDUDRZBVDTA-UHFFFAOYSA-N 391.456 2.951 0 40 GFAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(N2CCOCC2)cc1 3357427 HYHLBJZNWPSMKT-CQSZACIVSA-N 383.477 2.685 0 40 GFAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(OC)cc2OC)c1 3386748 OIJPMNXLFZJNOG-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB C[C@H](Sc1nc(O)c2ccccc2n1)C(=O)NCc1ccc2c(c1)OCO2 3445442 PBOFKAWPQSCQLU-NSHDSACASA-N 383.429 2.861 0 40 GFAB CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCC(C)C)cc2c1 4133435 UNIWXXQQRPJPTM-UHFFFAOYSA-N 388.581 2.985 0 40 GFAB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 4250729 HXMHMHOVOKYSIE-UHFFFAOYSA-N 379.464 2.802 0 40 GFAB COc1ccc(OC)c2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12 4292219 UBVSJDXDGDQJJS-UHFFFAOYSA-N 397.412 2.548 0 40 GFAB NC(=O)c1nc(-c2ccc(Cl)cc2)nc2c1[nH]c(=O)n2-c1ccccc1F 4518707 IHDYMTCWFHXCHJ-UHFFFAOYSA-N 383.770 2.667 0 40 GFAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1 5222159 ZSFYDSSSJYOFLD-INIZCTEOSA-N 376.453 2.835 0 40 GFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc(C)cc1)n2CCC 5272631 PHWLFDNQMAEWFU-UHFFFAOYSA-N 398.463 2.762 0 40 GFAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 5966189 BXAQOIYGLLRAKN-UHFFFAOYSA-N 391.836 2.784 0 40 GFAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6858884 WXXOTBXZRGNUSA-UHFFFAOYSA-N 383.539 2.720 0 40 GFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)Cc2ccc(O)cc2)n1 7226460 IUBLHJNHYBKTCP-UHFFFAOYSA-N 379.420 2.751 0 40 GFAB Cc1oc2cc(OCC(=O)N3CCNC3=O)ccc2c(=O)c1Oc1ccccc1 7245236 JASMQQJSXVOJAP-UHFFFAOYSA-N 394.383 2.824 0 40 GFAB Cc1ccc2c(CSc3n[nH]c(=O)n3C[C@H]3CCCO3)cc(=O)oc2c1C 7350128 IJZLGJQVMJXKBG-CQSZACIVSA-N 387.461 2.766 0 40 GFAB COC(=O)c1ccc(CN2C(=O)N[C@]3(CCCc4cc(OC)ccc43)C2=O)cc1 7777915 MVJFYKJKTFJUBM-QFIPXVFZSA-N 394.427 2.765 0 40 GFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)s1 8096339 RIAQRPBYOOXCBY-UHFFFAOYSA-N 378.519 2.653 0 40 GFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 8479321 IVCGPRNBUAQRHD-UHFFFAOYSA-N 390.461 2.643 0 40 GFAB CSc1nc(C)c(Br)c(Sc2nc(N)nc3[nH]cnc23)n1 8615347 BYOLTVLZUHPIHB-UHFFFAOYSA-N 384.288 2.669 0 40 GFAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)Nc1ccc(F)c(F)c1F 9491787 IEQYIAUWSLDIHD-UHFFFAOYSA-N 394.378 2.768 0 40 GFAB CCc1nn2c(=O)cc(CSc3nnc(N)s3)[nH]c2c1-c1ccccc1 10338939 MDYSUHVMXGQBRT-UHFFFAOYSA-N 384.490 2.978 0 40 GFAB Cc1cc(C)c([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1C 11342677 DBLMFRSVOVZVGO-HNNXBMFYSA-N 386.473 2.634 0 40 GFAB COc1ccc(CC(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1OC 12406981 WALJBZASWJIHIP-YVEFUNNKSA-N 386.370 2.886 0 40 GFAB Cc1cnc2c(S(=O)(=O)N(C)CC(=O)Nc3cccc(F)c3)cccc2c1 12522557 RWCHJBNZYXMSSW-UHFFFAOYSA-N 387.436 2.942 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)cc2NC1=O 12920610 MYDCQGDVNIXKPL-NWDGAFQWSA-N 383.379 2.537 0 40 GFAB O=C(CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1)Nc1cccc(F)c1 12994924 SAOMTGPFBGQQCP-RMKNXTFCSA-N 385.414 2.761 0 40 GFAB COc1ccc([C@H](CNC(=S)NCc2ccc3c(c2)OCO3)N(C)C)cc1 13056110 SHUHQQKXQUHSKN-KRWDZBQOSA-N 387.505 2.691 0 40 GFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC 15312635 XIPLJPZMWLJVQU-UHFFFAOYSA-N 378.450 2.515 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c1 15420773 BRCSFQKJJXJHSB-UHFFFAOYSA-N 394.880 2.922 0 40 GFAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1OC 16681869 DQQJLYALYIOXJC-UHFFFAOYSA-N 380.491 2.968 0 40 GFAB CCN(CCN(C)C)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 19526584 MABLAPTZUOKPQH-UHFFFAOYSA-N 388.537 2.670 0 40 GFAB Cc1nn([C@@H](C)CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(C)c1C 19556337 VMVIAXFKUTYJLE-JTQLQIEISA-N 399.900 2.772 0 40 GFAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)s1 19560093 HQKXYFIDLWIVSF-OAHLLOKOSA-N 381.461 2.883 0 40 GFAB COc1ccccc1N1C[C@H](NC(=O)c2ccc(F)c(-n3cccn3)c2)CC1=O 19571020 CHBSRSBSWKSXNH-OAHLLOKOSA-N 394.406 2.555 0 40 GFAB CN(C)c1ccc2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)[nH]c2c1 19585013 VRBSINQSMULRBM-UHFFFAOYSA-N 394.450 2.971 0 40 GFAB CN(C(=O)CC[C@H]1CCCO1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586680 SWUKOGTVTZQWRA-PSCUFVCCSA-N 386.492 2.908 0 40 GFAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1cncn1-c1ccc(F)cc1 21510271 SWGYVOFZBWAGQN-UHFFFAOYSA-N 392.390 2.805 0 40 GFAB O=C([C@H](Sc1ncn(-c2ccccc2)n1)c1ccccc1)N1CCOCC1 22239694 YSWMNSHTYFPJIL-GOSISDBHSA-N 380.473 2.960 0 40 GFAB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccc2c(c1)OCO2 22607884 UIZGILYQPMOYSV-UHFFFAOYSA-N 383.367 2.824 0 40 GFAB CO[C@H](CN1CCN(C[C@@H](O)[C@H](OC)c2ccccc2)CC1)c1ccccc1 22862000 VSTNNAYSCJQCQI-DNVJHFABSA-N 384.520 2.740 0 40 GFAB in-man O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc2ncccc12 23158626 REMKZNCNGDQCQD-JOCHJYFZSA-N 386.411 2.567 0 40 GFAB CCCc1nnc(S)n1CC(=O)NCc1ccc(CN(CC)CC)cc1 24140585 XFRJLXBLWSOYEH-UHFFFAOYSA-N 375.542 2.678 0 40 GFAB COc1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1 24193319 IAJFWTULLILQKV-UHFFFAOYSA-N 397.500 2.750 0 40 GFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ncccc3C)C2)s1 24987525 JZVIMBQVEKIDAV-CQSZACIVSA-N 379.507 2.799 0 40 GFAB O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@@H](c1ccco1)N1CCCCC1 29898952 QCHXMSNKWSKSMN-IBGZPJMESA-N 397.475 2.887 0 40 GFAB CC(C)[C@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N(C)C 30611213 RKSGBIFRANEPQC-IBGZPJMESA-N 384.524 2.829 0 40 GFAB COc1ccc(CCNC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc1 32095698 GTLXBMLICGZJOK-UHFFFAOYSA-N 383.477 2.584 0 40 GFAB O=c1nc2n(Cc3ccc(Cl)cc3)cccc-2c(=O)n1Cc1cccnc1 32615420 BENZTOWKAWAPTG-UHFFFAOYSA-N 378.819 2.655 0 40 GFAB C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1 32738286 BKDYYWYTPZZRHA-CYBMUJFWSA-N 376.416 2.817 0 40 GFAB Cc1cc(N2CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)nc(C(C)C)n1 32797355 LMSQDSRYLXNMDD-UHFFFAOYSA-N 399.514 2.828 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)NC3(c4noc(C)n4)CCCC3)CC2=O)cc1 32901907 ZMIMLJVJRDXSGV-QGZVFWFLSA-N 382.464 2.621 0 40 GFAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1 35572308 WSLZIDFNADWCCU-LJQANCHMSA-N 380.444 2.605 0 40 GFAB COc1ccccc1OCC(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 35596829 AHFUPDXAGIZLQS-UHFFFAOYSA-N 387.505 2.752 0 40 GFAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)NCCc3ccccc3)o2)n1 35597495 GASMLYZWUQJYPL-UHFFFAOYSA-N 391.474 2.818 0 40 GFAB CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36369996 VHRRGGPAZGDQTN-UHFFFAOYSA-N 395.463 2.815 0 40 GFAB biogenic O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38730857 HPBDWIULCCMYES-UONOGXRCSA-N 398.513 2.841 0 40 GFAB COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 40009862 ATVSJRAEMAAXQI-LJQANCHMSA-N 396.443 2.856 0 40 GFAB CCCc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(C)C)cc1 40051021 MTDZVQONPNZRRC-SFHVURJKSA-N 394.475 2.701 0 40 GFAB COc1cc(CCC2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)cc(OC)c1 40059882 NNEUPFNBCFDHQZ-UHFFFAOYSA-N 384.476 2.888 0 40 GFAB COc1cc(C(=O)N[C@H](C)Cn2cncn2)cc(OC)c1OCc1ccccc1 40119727 XRVFSIMANAFFKP-OAHLLOKOSA-N 396.447 2.693 0 40 GFAB CCC(=O)N1CCc2cc(C(=O)N(C)Cc3cc(C(=O)OC)c(C)o3)ccc21 40144136 OVRRUJOFCFSPCM-UHFFFAOYSA-N 384.432 2.946 0 40 GFAB CC(C)CN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 40158162 INIFLNBTIYEZSM-VQIMIIECSA-N 398.511 2.927 0 40 GFAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 40286571 PKFWRYZNWSSCET-CQSZACIVSA-N 380.379 2.999 0 40 GFAB CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCCC1 44940420 INKKRKNSFQQLGL-MRXNPFEDSA-N 386.901 2.658 0 40 GFAB CC(C)c1noc(CCCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)n1 46784982 MOIRLYLLBLKHNC-OAHLLOKOSA-N 382.468 2.965 0 40 GFAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 47252525 UHTHJKGVFXTISE-ZDUSSCGKSA-N 386.839 2.951 0 40 GFAB CCOC(=O)N1CCC(NC(=O)[C@@H](C(C)C)N2CCc3ccccc3C2)CC1 48374794 IRNYUVPNZYHSPU-HXUWFJFHSA-N 387.524 2.806 0 40 GFAB Cc1nc2c(cc1/C(O)=N/S(=O)(=O)c1ccc3c(c1)CCC3)c(C)nn2C 48613290 CYTHFPQSJJPFFU-UHFFFAOYSA-N 384.461 2.767 0 40 GFAB COCCn1nc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1=O 49574654 OUJGUHCGZSEVOA-UHFFFAOYSA-N 395.444 2.518 0 40 GFAB CC1(C)[C@H]2CC=C(COC[C@H](O)CN3CCN(c4nccs4)CC3)[C@@H]1C2 55471754 DASNRJNGYIFZAE-KSZLIROESA-N 377.554 2.635 0 40 GFAB Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1C 57670347 IQDBEQLWPSJOIY-TZIWHRDSSA-N 398.555 2.988 0 40 GFAB Cc1ccc(CNC(=O)CS(=O)(=O)c2nc(C)c(C)n2CC(C)C)cc1F 59352918 PRDQERGFEVMGAT-UHFFFAOYSA-N 395.500 2.694 0 40 GFAB CS(=O)(=O)c1ccc(-n2nnnc2COc2cccc(Cl)c2Cl)cc1 59927312 TUXKOIBPCJYNOU-UHFFFAOYSA-N 399.259 2.952 0 40 GFAB C[C@@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)n1nnc2ccccc2c1=O 71279076 ANZXAPRSTIBHGI-LBPRGKRZSA-N 395.850 2.846 0 40 GFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 71285018 SSWOZPFKLMNSIF-UHFFFAOYSA-N 395.459 2.990 0 40 GFAB COC(=O)CNC(=O)c1cccc(NC(=O)c2c(Cl)cccc2OC)c1 72296600 RODWVNHLFSANFY-UHFFFAOYSA-N 376.796 2.504 0 40 GFAB Cc1ccc2oc(C(=O)N3CCC[C@H](c4nnc5n4CCN(C)CC5)C3)cc2c1 72370932 KREUTIFGXAHXRV-INIZCTEOSA-N 393.491 2.840 0 40 GFAB CC(C)C[C@@H](CNC(=O)NCc1nnc2n1CCC2)N[C@H](C)c1ccccc1 78974063 FBIFOPNODQQNCO-AEFFLSMTSA-N 384.528 2.789 0 40 GFAB C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@@H](C)O1 84713859 KYBWEQXGFHZWMO-JFIYKMOQSA-N 385.508 2.887 0 40 GFAB COC(=O)[C@@H](NC(=O)Cc1c(OC)cccc1OC)c1cc(C)c(O)c(C)c1 96011910 QCRDVSJPELMDSH-IBGZPJMESA-N 387.432 2.599 0 40 GFAB COc1ccc2[nH]cc(CCNC(=O)C[C@H]3Oc4ccccc4NC3=O)c2c1 96221362 DZIOGYHDKYGGEW-LJQANCHMSA-N 379.416 2.625 0 40 GFAB biogenic Cc1cc(NC(=O)c2sc(C)nc2C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 96232784 CBXIFEFATXICKV-LBPRGKRZSA-N 382.511 2.692 0 40 GFAB Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237901 LJKCQRFGZMJNLC-QHCPKHFHSA-N 395.478 2.626 0 40 GFAB CSc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 101340432 KUGGZXDTDOYROY-DEQQHWRFSA-N 395.477 2.744 0 40 GFAB CN(C)CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 102731505 HSEJSRXBSSIAQB-OAQYLSRUSA-N 379.504 2.963 0 40 GFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)COc2ccccc2OC)ccc1C 225172909 KFPLBSPLCOBJOJ-CQSZACIVSA-N 393.461 2.536 0 40 GFAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 225971005 ULVVBOIVIMZGPF-UHFFFAOYSA-N 382.825 2.750 0 40 GFAB Cc1ccc(Cn2nc3c(=O)n(-c4cccc(Cl)c4C)ccn3c2=O)cc1 252480058 BTITUWWSTQOOBZ-UHFFFAOYSA-N 380.835 2.965 0 40 GFAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ccccc1F 257277556 NYKLYDLYUVHQDE-SKBHOOIQSA-N 376.472 2.876 0 40 GFAB CC(=O)N1CCC[C@H]2N(C(=O)c3cccc(-c4cncnc4)n3)CCC[C@@]21C 257306402 SUEISYGARPSIDX-CTNGQTDRSA-N 379.464 2.544 0 40 GFAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1Cl 260903950 YMAOKZJPBAEJAG-NEPJUHHUSA-N 376.906 2.664 0 40 GFAB Cc1ncsc1CN1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306127480 FZJOCWJMLGQDAJ-MSOLQXFVSA-N 379.489 2.730 0 40 GFAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccc(F)cc4)C[C@H]2S3(=O)=O)cn1 306131173 JYCNHOQULPSQJQ-TZIWHRDSSA-N 397.475 2.982 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CC)C2)cc1C 408559032 VDSSUEHZWGABTC-CVEARBPZSA-N 382.526 2.709 0 40 GFAB CCCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 408624646 VKJRFQVACDFIMG-UHFFFAOYSA-N 381.370 2.705 0 40 GFAB CCOC(=O)c1oc2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3CS4)cc2c1C 575617110 YTQUJILDNBESGB-NWDGAFQWSA-N 381.475 2.796 0 40 GFAB Cc1ccc(CN2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)s1 585095291 NQIVVCOLRYPOPE-KRWDZBQOSA-N 375.538 2.985 0 40 GFAB Cc1ncncc1C(=O)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 585182582 ZOSYXHUINXXWNT-GOSISDBHSA-N 382.395 2.717 0 40 GFAB Cc1cc(C(=O)N2CCNC[C@H]2c2ccccc2Cl)nn1C1CCOCC1 638216024 HFEREMHCOAUHAM-IBGZPJMESA-N 388.899 2.983 0 40 GFAB C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](C(=O)O)C1 668293232 WSZGOPQVSJKABJ-SRMUXQRQSA-N 396.281 2.891 0 40 GFAB CC(=O)N1CCC(NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C2CCCCC2)CC1 1775964303 CLIYPUZYVLQNNP-JWOSDPRPSA-N 375.557 2.793 0 40 GFAB biogenic,in-vitro O=C(c1cscn1)N1CCC(COc2ncc(Br)cn2)CC1 1775995617 BLVJHLGHSNGWTA-UHFFFAOYSA-N 383.271 2.627 0 40 GFAB Cc1cc(C)n(-c2cc(N3CCN(Cc4c(C)noc4C)CC3)nc(C)n2)n1 1889148780 JMWGSVOWVZZBNT-UHFFFAOYSA-N 381.484 2.515 0 40 GFAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1ccc(C(F)(F)F)cc1)CCO2 2037984046 OJSQXJMRDSEHGM-GOSISDBHSA-N 386.414 2.544 0 40 GFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 24761700 HCCADMMYGKCBED-INIZCTEOSA-N 377.400 2.672 0 40 GFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CSCN1C(=O)c1ccccc1 55311292 PBWWVMDNMKXXHH-UXHICEINSA-N 395.528 2.592 0 40 GFAB C[C@H](CN1CCCC1=O)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 55814402 OEXFNEBWQILIII-OAHLLOKOSA-N 395.438 2.543 0 40 GFAB COc1ccccc1NC(=O)Cc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 25572426 LGSGMPMTGPGJFF-ZIAGYGMSSA-N 375.494 2.942 0 40 GFAB COc1ccccc1CNC(=O)[C@H](C)N1CCC(NC(=O)c2ccccc2)CC1 25830763 JXWFOASAHSRAGR-KRWDZBQOSA-N 395.503 2.594 0 40 GFAB CCN(c1ccc(OCC(=O)NCCC2=CCCCC2)cc1)S(C)(=O)=O 10009958 FMISONFJAURJDR-UHFFFAOYSA-N 380.510 2.858 0 40 GFAB Cc1ccc(NC(=O)COc2ccccc2Cl)cc1S(=O)(=O)N(C)C 8752865 PRXZPASREXQACR-UHFFFAOYSA-N 382.869 2.916 0 40 GFAB CCCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)O)ccc12 2099604 ZSPSJLLQFDYRSV-UHFFFAOYSA-N 375.421 2.886 0 40 GFAB biogenic CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 9405046 ZVINXHUAHAYTDK-UHFFFAOYSA-N 398.510 2.747 0 40 GFAB CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 58283472 MRKAWECRIYHUIO-IAGOWNOFSA-N 379.298 2.927 0 40 GFAB CCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 106711301 PQPRCMXGVKJGAY-BOPFTXTBSA-N 399.472 2.556 0 40 GFAB C[C@@H]1CN(C[C@H](O)CSc2nnc3sc4ccccc4n23)C[C@@H](C)O1 58291481 FXEHGUDJECJREL-UPJWGTAASA-N 378.523 2.506 0 40 GFAB COc1ccc(CNC(=O)NCc2ccccc2N2CCOCC2)cc1OC 58232411 WIVYKIYCYPIKLV-UHFFFAOYSA-N 385.464 2.540 0 40 GFAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C=O)cc2)cc1OCC 10871820 AICVTQLAJMJJKA-UHFFFAOYSA-N 399.443 2.812 0 40 GFAB CCN1CCN(C(=O)[C@H](C)Sc2nncn2-c2cccc(Cl)c2)CC1 29617035 VTRRUSNWWZTVNV-ZDUSSCGKSA-N 379.917 2.565 0 40 GFAB O=C(COc1nc2c3c4c(sc3ncn2n1)CCC4)NCc1ccccc1 12390412 OJXXWJAVTGPDAK-UHFFFAOYSA-N 379.445 2.523 0 40 GFAB Cc1c(N2CCc3c(ncn3C3CC3)C2)nn2c(C(F)(F)F)nnc2c1C 95430275 ICUKUWDICGRXOA-UHFFFAOYSA-N 377.374 2.854 0 40 GFAB CN(C)[C@@H](CNC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccco1 48380385 UKXSSTZLCISSMG-IBGZPJMESA-N 379.460 2.972 0 40 GFAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 12968650 RUABCFBWDUXIDR-GFCCVEGCSA-N 388.445 2.710 0 40 GFAB CC[C@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1 13039055 KVGAOHXVMPIBMN-ZDUSSCGKSA-N 382.507 2.867 0 40 GFAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccnc4)C[C@H]32)cc1 306134102 NDOACNRXYQNQMM-FGZHOGPDSA-N 388.471 2.973 0 40 GFAB CCOCC(=O)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306145125 ZYVFVHNAZQMUCH-HXUWFJFHSA-N 376.460 2.837 0 40 GFAB CC(=O)c1cc(I)c(O)c(I)c1 4257805 SNFGLSZQQVJKFA-UHFFFAOYSA-N 387.942 2.804 0 40 GFAB O=C(Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12)c1ccc(Cl)cc1Cl 9318692 PPTYUUYSCQFVNG-UHFFFAOYSA-N 392.124 2.996 0 40 GFAB O=C(NCc1cccnc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5381182 SWVSWHDIKCIZTR-UHFFFAOYSA-N 379.869 2.595 0 40 GFAB COc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)N2CCCCC2)cc1 14161304 SLOKZUVKLWYSAF-APWZRJJASA-N 399.491 2.750 0 40 GFAB CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 14199532 DXOJRGKYRCZKBP-JLTOFOAXSA-N 377.460 2.924 0 40 GFAB C[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C[C@@H](C)O1 6532155 LAUTXOHBLBGJLT-HUUCEWRRSA-N 386.521 2.932 0 40 GFAB Cc1c(C(=O)NC[C@H](C)N2CCC(C)CC2)nnn1-c1ccc2ncccc2c1 66830474 XLLQIZCIRQIUML-INIZCTEOSA-N 392.507 2.974 0 40 GFAB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 7131351 KBIAJHVQAOETSZ-DJJJIMSYSA-N 379.407 2.523 0 40 GFAB Cc1ccc2nc(-c3ccc(NC(=O)Cn4ccc(=O)[nH]c4=O)cc3)sc2c1 15510863 RMHFEPRATFHYLU-UHFFFAOYSA-N 392.440 2.760 0 40 GFAB COC(=O)c1ccc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc1 7657237 ZHYNVFWHJZCVMC-UHFFFAOYSA-N 378.494 2.936 0 40 GFAB O=C([C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCOCC1 16964222 DBSBQROZLDGNCQ-GOSISDBHSA-N 386.835 2.607 0 40 GFAB Fc1ccc(NC(=S)NNC(=S)Nc2ccc3c(c2)OCCO3)c(F)c1 17450008 MJBRASIYPAKRAU-UHFFFAOYSA-N 396.444 2.924 0 40 GFAB CC(=O)Nc1cc(C(=O)CSc2nnnn2-c2ccc(C)cc2)ccc1O 8848363 FFPTZOIKVVFMGA-UHFFFAOYSA-N 383.433 2.610 0 40 GFAB CC(C)C[C@@H](C(=O)NC[C@H]1COC2(CCCCCC2)O1)N1CCCCC1=O 95991696 TWENRFRWRPEFCP-ROUUACIJSA-N 380.529 2.996 0 40 GFAB Cc1nc2ccccc2n1CCNC(=O)COc1cccc(N2CCCC2=O)c1 95972015 KIDZXTADDUJDNG-UHFFFAOYSA-N 392.459 2.667 0 40 GFAB CC1CCC(Oc2cc(CNCc3cnc(N4CCOCC4)nc3)ccn2)CC1 95959514 QVYUARIZTUWJNM-UHFFFAOYSA-N 397.523 2.956 0 40 GFAB O=S(=O)(c1cccc(Br)c1)N(CCO)c1ccc(F)cc1F 89774440 TYDYWLONJXSYMI-UHFFFAOYSA-N 392.221 2.915 0 40 GFAB O=S1(=O)CCN(CCc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 306130765 JOUOESSZYOVJJW-YADHBBJMSA-N 384.545 2.603 0 40 GFAB COCCCNC(=O)c1cnn2c1CN(Cc1ccccc1)Cc1cccnc1-2 306125761 DBOOFMWKBAEEGB-UHFFFAOYSA-N 391.475 2.549 0 40 GFAB O=C(Nc1ccc(I)cc1)c1nc2ccccc2c(=O)[nH]1 28210285 UTJQAPFTIZFONI-UHFFFAOYSA-N 391.168 2.780 0 40 GFAB Cc1cc(C)cc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 408733797 RHWPASTVJXMRNH-QZTJIDSGSA-N 399.450 2.780 0 40 GFAB Cc1ccc(CN2C[C@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)cc1 35982375 XSSZHBNMOCMNLT-MSOLQXFVSA-N 385.533 2.824 0 40 GFAB Oc1c(Br)cc(Br)nc1I 71256073 OJRCEBYSIZPEDE-UHFFFAOYSA-N 378.789 2.917 0 40 GFAB COc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 216254746 GFWYBCYLLSTFDF-OAHLLOKOSA-N 376.478 2.647 0 40 GFAB COC(=O)c1ccc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)cc1 225210870 BDGFEFDYJIAJGQ-UHFFFAOYSA-N 395.528 2.955 0 40 GFAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223205024 VHHZEGVBKRZPDY-VQTJNVASSA-N 399.564 2.598 0 40 GFAB COc1ccc([C@@H](CC(=O)N(C)c2ccc(C)c(C)c2)NS(C)(=O)=O)cc1 225953898 OBYKCTDCLJEUCT-LJQANCHMSA-N 390.505 2.955 0 40 GFAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 40134406 PRSSILRVJVTDBE-UHFFFAOYSA-N 396.406 2.522 0 40 GFAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SCC(=O)OC)s1 224001083 RAOJRVZBKUXWQX-LBPRGKRZSA-N 381.479 2.908 0 40 GFAB CCN(CCO)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 98077139 CXOOYLQDRDXUGU-UHFFFAOYSA-N 376.478 2.559 0 40 GFAB Cc1cc(NC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)nn1C1CCCCC1 578609332 DMIOHLNIAAMVCF-DOTOQJQBSA-N 386.500 3.472 0 40 GFAB CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(Br)cc1 96519697 FRDITKNTPIXHPF-BDAKNGLRSA-N 392.496 2.815 0 40 GFAB Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2)c1 583239829 SZQIADXBXPUNIY-GFCCVEGCSA-N 390.447 2.896 0 40 GFAB CO[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@]12CCCO2 257284684 PDUKEHYXRBOHBE-RDJZCZTQSA-N 383.286 2.658 0 40 GFAB COc1cccc2c1OC(C)(C)[C@H]1CC[C@H](C3CCN(CC(N)=O)CC3)O[C@H]21 257297509 RHOFRQAAVIQQNS-SQGPQFPESA-N 388.508 2.900 0 40 GFAB Cc1nnc(NC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1C 543367467 DGDDJAFPXPASFB-UHFFFAOYSA-N 382.424 2.517 0 40 GFAB CNC(=O)c1cccnc1N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 684579299 FBJHHYOLJCLMAZ-HNNXBMFYSA-N 396.495 2.677 0 40 GFAB CC[C@@H](NC(=O)N1CC[C@@H](C)O[C@@H](C)C1)c1ccccc1OCC(=O)N(C)C 663736232 KUOBVQVOTIEODS-SOLBZPMBSA-N 391.512 2.814 0 40 GFAB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Br)cc1 5750152 RWNMUSYOURFNFB-NTEUORMPSA-N 387.189 2.821 0 40 GFAB Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 12374361 COCUJIHSIRVPES-UHFFFAOYSA-N 388.493 2.910 0 40 GFAB COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 14820140 GXOPJYGKEYGOAE-UHFFFAOYSA-N 388.489 2.752 0 40 GFAB Cc1ccc([S@@](=O)NOCCCCON[S@@](=O)c2ccc(C)cc2)cc1 17024399 IKQIHMWGKSEWFX-WMPKNSHKSA-N 396.534 2.871 0 40 GFAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@@H](C)n3ccnc3)n2)cc1 19211120 YBMAQKSZFKPEQM-CYBMUJFWSA-N 390.490 2.822 0 40 GFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCCC[C@H]1CN1CCCCCC1 19403680 AUGZJHDIXDSRCY-FQEVSTJZSA-N 386.540 2.789 0 40 GFAB CCN(CC)S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19526471 KNGLFYHIOWZZRJ-ZCNNSNEGSA-N 379.570 2.915 0 40 GFAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)c3ccccc3OC)C[C@@H]12 19528276 LHFKYFPODYGRPT-XXBNENTESA-N 392.455 2.885 0 40 GFAB COc1ccc(OCC(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)cc1 19556753 HQGZCQBVXXZFEN-MRXNPFEDSA-N 393.443 2.717 0 40 GFAB CC(=O)c1c(C)nn(CC(=O)N2CCC(c3cc4cccnc4[nH]3)CC2)c1C 12133517 DWNMLQUANVQVHN-UHFFFAOYSA-N 379.464 2.985 0 40 GFAB Cc1cnc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1 12255608 LVPRHCOZMVPWPY-ZDUSSCGKSA-N 393.422 2.591 0 40 GFAB O=C(NCC1(N2CCSCC2)CCOCC1)c1cccc(Br)c1 1888850140 YFPINGCPBUPOJV-UHFFFAOYSA-N 399.354 2.777 0 40 GFAB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3cc(=O)n4ccccc4n3)C2)nn1 1888876027 YDBIDEQGDCEULK-OAHLLOKOSA-N 379.464 2.687 0 40 GFAB COc1cccc(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)c1OC 2037984337 XXVFLEYERDBPLU-OAQYLSRUSA-N 376.497 2.696 0 40 GFAB CCOc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1 4250638 PTNRKQVSQBUDOD-UHFFFAOYSA-N 395.463 2.502 0 40 GFAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C(C)C 4370463 QZBNRPSWQGNUJD-UHFFFAOYSA-N 385.855 2.740 0 40 GFAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4cc(F)ccc4F)CC3)nn2)n1 2069632497 IFMNIFVNIGJELC-UHFFFAOYSA-N 384.434 2.880 0 40 GFAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccc(Cl)cc4)cc1c32 101078804 OAPSTRBIDJEVQD-GFCCVEGCSA-N 397.862 2.991 0 40 GFAB COc1c2ccc(C(=O)NC[C@H]3CCCN(c4nccs4)C3)cc2nn1C 206832944 PSKNOIHXGYQUGE-CYBMUJFWSA-N 385.493 2.685 0 40 GFAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1cccc(Cl)c1 575613273 QVOOKDCFPRHKKH-LJQANCHMSA-N 395.908 2.933 0 40 GFAB Cc1cc(C)n(CCC(=O)NC2CCN(c3nc(C)nc4c3CCCC4)CC2)n1 225739554 ZTKGYJXHPVVZTF-UHFFFAOYSA-N 396.539 2.652 0 40 GFAB O=C1CN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CCN1 30034135 WAFXFQMDRVWFMG-UHFFFAOYSA-N 392.242 2.818 0 40 GFAB Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)c(Br)c1)C1=C(COC1=O)N2 20086587 ZODIWGLLUCFBQI-CQSZACIVSA-N 389.253 2.915 0 40 GFAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 20719687 MMYKNDFREXCXGG-FUHWJXTLSA-N 388.443 2.794 0 40 GFAB C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C[C@@H](C)O1 20963814 LPGUAXMOIFEWAL-IAGOWNOFSA-N 381.476 2.664 0 40 GFAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1OC 32810964 WNSQFGOHIAOQSY-NEPJUHHUSA-N 385.420 2.862 0 40 GFAB CC(C)(C)OC(=O)N1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 32873851 KMOMODSQSFENRJ-UHFFFAOYSA-N 392.481 2.810 0 40 GFAB CC(C)(C)c1noc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 32929965 CNSQDFJCZOPOJU-UHFFFAOYSA-N 386.857 2.907 0 40 GFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(F)ccc1F 32908809 XIEHRPYBKBBCEX-UHFFFAOYSA-N 375.375 2.555 0 40 GFAB COc1ccccc1NC(=O)[C@H](C)N1CCN(CCOc2ccccc2)CC1 22069655 YVKMBVKKFRZQJU-SFHVURJKSA-N 383.492 2.719 0 40 GFAB COc1cccc2c1OC[C@H](NC(=O)c1nnn(-c3ccccc3Cl)c1C)C2 103394479 MIMNRJQEGZDXHZ-CQSZACIVSA-N 398.850 2.971 0 40 GFAB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2cccc(C(F)(F)F)c2)c1 22520426 KFSRRGHIAGKVOF-UHFFFAOYSA-N 377.315 2.849 0 40 GFAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCCC[C@H]4C)cnc32)c1 22879360 ZPKAXBAEPIMXLJ-MRXNPFEDSA-N 379.464 2.600 0 40 GFAB COc1cccc(CNC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)c1 23248864 QZVCGHUOFYLDRJ-FQEVSTJZSA-N 386.492 2.876 0 40 GFAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 33749987 TZBLAPYTAVNEAS-UHFFFAOYSA-N 384.461 2.990 0 40 GFAB O=C(CCN1C(=O)COc2ccccc21)N[C@H](Cc1ncc[nH]1)c1ccccc1 12506965 UXPMZENIMMTPDD-QGZVFWFLSA-N 390.443 2.625 0 40 GFAB C[C@@H](Sc1nccn1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12525492 FPHRXSNVUVXYJN-SECBINFHSA-N 384.383 2.905 0 40 GFAB CCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 4996086 QFANAGALQRYWMN-UHFFFAOYSA-N 396.896 2.988 0 40 GFAB COc1ccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1OC1CCCC1 56683083 ZURXVVLCTCJLCP-OAHLLOKOSA-N 399.534 2.875 0 40 GFAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cc(C)sc1C 26224696 XEESOPLREBVQSF-UHFFFAOYSA-N 390.461 2.594 0 40 GFAB Cc1cccc(N2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)CC2)c1 12523602 HDVYCVKATFHYOW-SFHVURJKSA-N 392.503 2.881 0 40 GFAB COc1ccc(NC(=O)Cn2c(SC)nc3ccsc3c2=O)cc1OC 57505060 SKYKTYDYXZUCGG-UHFFFAOYSA-N 391.474 2.836 0 40 GFAB c1ccc(CN2CCO[C@H](CNCc3csc(-c4ncccn4)n3)C2)cc1 58102372 VNEUNYYCZYEHOH-GOSISDBHSA-N 381.505 2.591 0 40 GFAB COC(=O)/C=C1\[C@H](CC(=O)O)[C@@H](c2ccc(OC)cc2)CC[C@]1(C)C(=O)OC 104584516 LQFAEZLAAQIGEJ-PCZVAHOESA-N 390.432 2.942 0 40 GFAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1OC 2236196 GSXRZKOTXMSZQE-LJQANCHMSA-N 395.411 2.738 0 40 GFAB COCCOC(=O)c1c(C)[nH]c(C(=O)NCCc2c[nH]c3ccccc23)c1C 36391327 YGBHONHYCFFCIT-UHFFFAOYSA-N 383.448 2.889 0 40 GFAB COc1cccc(OC)c1CN1[C@H]2CC[C@H]1Cc1c(nc3cc(C)nn3c1O)C2 100219517 HVHYGIMIEKWTLI-GJZGRUSLSA-N 394.475 2.892 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)C(C)(C)C)nn3c2O)C1 100234262 CLGKIUYCVVNGQD-QGZVFWFLSA-N 385.512 2.911 0 40 GFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(F)cc2)c1OC 2624789 XCYILRSHCKZUNM-FPYGCLRLSA-N 381.381 2.742 0 40 GFAB O=C(c1ccc2c(c1)OCCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12768816 FRNNIBNLBMFPSN-UHFFFAOYSA-N 396.443 2.535 0 40 GFAB Cc1ccc(CN(C)C(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)o1 12751910 XXLBCYQPGVRTHF-LJQANCHMSA-N 387.461 2.550 0 40 GFAB Cc1cc(=O)n2nc(N3CCCN(Cc4ccc(Cl)cc4)CC3)sc2n1 12784670 QOJDZYHBVSESHJ-UHFFFAOYSA-N 389.912 2.825 0 40 GFAB O=C(CCC(=O)c1cccs1)NC[C@H](c1cccs1)N1CCOCC1 22465362 DILYYFNQDRFMSX-CQSZACIVSA-N 378.519 2.962 0 40 GFAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 20453793 NWPHFXCONOBNND-MRXNPFEDSA-N 390.505 2.643 0 40 GFAB CCCCCNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063981 SSWKGKNCFJROLM-UHFFFAOYSA-N 382.482 2.521 0 40 GFAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)c1 3594936 RXZJSFLSZNZFTI-JOCHJYFZSA-N 377.444 2.944 0 40 GFAB CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)C[C@@H]1COc2ccccc2O1 12911061 ONSOCWGGLYLYNG-QGZVFWFLSA-N 399.447 2.505 0 40 GFAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 12971254 LMQGAWWFPNQZNE-UHFFFAOYSA-N 377.853 2.716 0 40 GFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12913200 CEGRODYCFYOSFR-UHFFFAOYSA-N 399.454 2.870 0 40 GFAB COC(=O)c1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 12907934 NGQWXMHKAFRVMC-STQMWFEESA-N 389.477 2.791 0 40 GFAB O=S(=O)(c1ccc(F)cc1)N1CCCN(c2nc3ccccc3o2)CC1 13019899 DYFWKNNURMBHFW-UHFFFAOYSA-N 375.425 2.868 0 40 GFAB CCNC(=O)C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(OC)cc1 4142413 HVCFUEOZKWEDPT-SFHVURJKSA-N 399.422 2.698 0 40 GFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 4308551 ZMLDDDVBEXOGTJ-HXUWFJFHSA-N 375.444 2.679 0 40 GFAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 4731773 KLQNQZHNFUPXSO-CYBMUJFWSA-N 376.457 2.659 0 40 GFAB COc1ccc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6811020 ZMBWRRUBTRCZIO-MRXNPFEDSA-N 377.437 2.664 0 40 GFAB COc1ccccc1CN/C(C)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5884704 WEWKPISIWBZIHI-NBVRZTHBSA-N 379.416 2.650 0 40 GFAB CCOc1ccccc1NC(=O)c1nnn(-c2ccc(OC)c(OC)c2)c1N 9484984 WYQMVEHQBIOFPT-UHFFFAOYSA-N 383.408 2.518 0 40 GFAB CCc1nnc(NC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)s1 7921405 BFJYQHGKUSUAKH-JTQLQIEISA-N 383.520 2.632 0 40 GFAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)s2)cc1 7990122 MJGJHVBTBDMRGF-HXUWFJFHSA-N 398.488 2.701 0 40 GFAB Cc1csc2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)cc(=O)n12 8157035 BFGOFQLUWWISCW-NSHDSACASA-N 395.535 2.799 0 40 GFAB CN1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1 26440021 HREIKKXJPLMXNN-UHFFFAOYSA-N 378.904 2.938 0 40 GFAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Br)cc1 18245085 VQHLYJIHBYHDEY-UHFFFAOYSA-N 387.189 2.725 0 40 GFAB COc1ccc(CN2CNc3c(c(=O)nc(S)n3Cc3ccco3)C2)cc1 9041519 KADRQMSLKSVZPV-UHFFFAOYSA-N 384.461 2.567 0 40 GFAB COc1cccc(C[C@@H](C(=O)N[C@@H]2CCCc3occc32)n2nnnc2C)c1 84297277 SPHMCQPCXBSQLM-MSOLQXFVSA-N 381.436 2.561 0 40 GFAB O=C(CCCn1nnc2ccccc2c1=O)Nc1nnc(C2CCCC2)s1 72405031 JLIYGTJNZBYSLZ-UHFFFAOYSA-N 384.465 2.720 0 40 GFAB Cc1ccc(NC(=O)c2cccnc2Br)cc1S(=O)(=O)N(C)C 95411668 AGJKDUDIPVUITO-UHFFFAOYSA-N 398.282 2.655 0 40 GFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCC(=O)c1ccc2c(c1)CCCC2 89800336 RGGARZHNACFFFY-UHFFFAOYSA-N 398.459 2.546 0 40 GFAB CCN(CC)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 24139864 KQBFUWGQYQCGHT-IBGZPJMESA-N 383.492 2.786 0 40 GFAB O=S(=O)(c1ccccc1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 23865980 MSPNQHGHEMAHRI-UHFFFAOYSA-N 383.473 2.848 0 40 GFAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCCN1CCCC1=O 1548349700 UNCRQALYNFKWSE-UHFFFAOYSA-N 397.519 2.722 0 40 GFAB CCn1c(-c2cccc3ccccc23)nnc1N1CCN(S(=O)(=O)CC)CC1 549056012 NFVCBJCLKZJNCG-UHFFFAOYSA-N 399.520 2.590 0 40 GFAB Cn1cc(CN2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)cn1 306135686 OXVGPEIAVGLFOT-LPHOPBHVSA-N 385.514 2.904 0 40 GFAB Cc1ncc(S(=O)(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)cc1C(=O)O 518370010 KKWRSWQVOPSUOE-NSHDSACASA-N 382.869 2.993 0 40 GFAB Cn1cc(C[C@@H]2CCN(C(=O)c3c(C(F)(F)F)nc4ccccn34)C2)cn1 521834633 HCWAATYULJFVLP-LBPRGKRZSA-N 377.370 2.791 0 40 GFAB O=C(N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1)C1(c2cccs2)CCCC1 77099642 YPSVZDRGASEGLY-UHFFFAOYSA-N 396.472 2.924 0 40 GFAB NC(=O)c1nnn(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)n1 70999179 DKZCAVQTEYWZDB-UHFFFAOYSA-N 398.426 2.532 0 40 GFAB CCOCn1cc(NC(=O)c2cc(-c3ccn(CC)n3)nc3onc(C)c23)cn1 36617978 WKUIQZMLMZQARG-UHFFFAOYSA-N 395.423 2.857 0 40 GFAB CSc1ccccc1NC(=O)Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 38488429 AUJIKVAVKABTNC-AWEZNQCLSA-N 393.534 2.763 0 40 GFAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 72374754 PYTYOFPQAVCZSJ-KRWDZBQOSA-N 377.485 2.716 0 40 GFAB COc1ccc2nnc(CCCC(=O)Nc3nc(-c4ccncc4)cs3)n2n1 72403894 AWALEWXHYRIIGR-UHFFFAOYSA-N 395.448 2.613 0 40 GFAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cn1 72377183 MFSIRVRPVQPASJ-QGZVFWFLSA-N 380.427 2.966 0 40 GFAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccccc1OC 224244862 HBUKQIYUHGPXLT-UHFFFAOYSA-N 398.459 2.620 0 40 GFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCC(C)C)c2)cc1 224275632 DWJBHIKGEZWYAW-UHFFFAOYSA-N 376.478 2.906 0 40 GFAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 225537371 WTGUPBMBYHNUMU-INIZCTEOSA-N 390.505 2.643 0 40 GFAB CSc1ncccc1C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225626075 SLWIEGMRLDTGNK-UHFFFAOYSA-N 381.461 2.671 0 40 GFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnc2ccccc2c1 1124420407 OTTINMVAHPXCFU-UHFFFAOYSA-N 397.456 2.508 0 40 GFAB O=C1CCCc2cc(S(=O)(=O)N3CC[C@@H](C(=O)O)c4ccccc43)ccc21 656647624 WGZKPBZDRARHPD-QGZVFWFLSA-N 385.441 2.973 0 40 GFAB Cc1c(C(=O)N2Cc3ccnn3[C@@H](CN3CCCC3=O)C2)oc2ccccc12 575404174 AGIWUKZYCJDPSU-INIZCTEOSA-N 378.432 2.757 0 40 GFAB COc1cc(-c2cnc3n2CCN(C(=O)COCc2ccccc2)CC3)ccn1 585111185 IBSCJTAAGUQPCS-UHFFFAOYSA-N 392.459 2.555 0 40 GFAB CCn1nnc2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncnc21 5250445 IISFCJBOGQJHOI-UHFFFAOYSA-N 377.374 2.587 0 40 GFAB CC(C)CN(C(=O)CSc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 5627258 QILVHQAWBCOLGB-MRXNPFEDSA-N 392.546 2.999 0 40 GFAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCCN3CCCc4ccccc43)N2C=C1 12148399 NVBCKYUYFGLGEM-QHCPKHFHSA-N 392.503 2.809 0 40 GFAB Cc1cc2nc([C@H]3CCCN(C(=O)c4cnccn4)C3)cc(C(F)(F)F)n2n1 13226822 ZPSDGGMMALRGSH-LBPRGKRZSA-N 390.369 2.866 0 40 GFAB COc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1Br 13671847 ZWUMMFPYUVQKAR-UHFFFAOYSA-N 399.310 2.872 0 40 GFAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 13752503 SRFPRYIGJLJDEW-UHFFFAOYSA-N 391.518 2.825 0 40 GFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1 16740379 GFAJXDKQEKGRCB-ZDUSSCGKSA-N 390.461 2.941 0 40 GFAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc(C)cc3)ncc2C1 19209605 PRWUZNWMWYZCDR-FQEVSTJZSA-N 378.476 2.596 0 40 GFAB c1ccc(-c2[nH]nnc2CN(CCCN2CCOCC2)Cc2cccnc2)cc1 19373940 RVIOSOMRQSURMB-UHFFFAOYSA-N 392.507 2.591 0 40 GFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)n1 19572828 OHJCCJNDANRXCJ-QZTJIDSGSA-N 396.539 2.635 0 40 GFAB COc1cccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1OC 19590476 NJRRSKNSKIPXSK-QGZVFWFLSA-N 382.508 2.861 0 40 GFAB COc1ccc(-c2ccccc2)cc1CN1CC[C@@]2(NC(C)=O)CNC[C@H]2C1 19712989 LCRARZALAUJZML-JTHBVZDNSA-N 379.504 2.662 0 40 GFAB Cn1c(=O)n(C)c2cc(CCC(=O)Nc3cccc(Cn4cccn4)c3)ccc21 19714247 JVQQZOIGUJEHRH-UHFFFAOYSA-N 389.459 2.693 0 40 GFAB Clc1ccc(OCCn2cncc2-c2cnc(N3CCOCC3)nc2)cc1 19719316 GGQBLOMZTVYEKC-UHFFFAOYSA-N 385.855 2.909 0 40 GFAB CC(C)CNC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2 643576330 WSVUEEYLZSEVIV-UHFFFAOYSA-N 396.487 2.802 0 40 GFAB Cc1nnc(SCC(=O)N2CCC[C@H]([C@H]3CC(=O)c4ccccc4O3)C2)o1 13265323 ZVUGLZBLEMMZDM-SUMWQHHRSA-N 387.461 2.743 0 40 GFAB COc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F 5689157 UANDOMZSYSKBRH-UHFFFAOYSA-N 398.481 2.543 0 40 GFAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 6150474 KDSGLOKJBNBFIY-SFHVURJKSA-N 380.444 2.568 0 40 GFAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2OC(F)F)c1 11209547 WXQQYIGKXNMZOE-UHFFFAOYSA-N 391.779 2.946 0 40 GFAB Cc1cc(S(=O)(=O)N2CC[C@@H]3C[C@]32C(=O)N2CCCC2)c(C)cc1Cl 2056225256 NGIIKSBBEQYTHF-RDTXWAMCSA-N 382.913 2.732 0 40 GFAB CCCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)c(C)n23)n(C)c1=O 4250851 OXOSXEOVEWQNDG-UHFFFAOYSA-N 385.855 2.819 0 40 GFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(C)c(C)c3)n2)cc1 9844034 HXQOASLJOZTSKF-UHFFFAOYSA-N 377.444 2.966 0 40 GFAB O=C(CCc1ccccc1)NCCn1ncc2c(N3CCCCCC3)ncnc21 11665988 LINZLEGQNMILNE-UHFFFAOYSA-N 392.507 2.956 0 40 GFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccc(F)c(Cl)c1 206734654 MXRQVTOFDFVYMP-UHFFFAOYSA-N 394.838 2.816 0 40 GFAB COc1ccc(CCNC(=O)c2snc(-c3ccccn3)c2N)cc1OC 49007848 GYSBFABHMLUISO-UHFFFAOYSA-N 384.461 2.777 0 40 GFAB Cc1ccc(N2C[C@H](C(=O)NCc3cn(-c4cccs4)nn3)CC2=O)cc1C 575615046 BKANONBHDXSZIL-OAHLLOKOSA-N 395.488 2.615 0 40 GFAB CCCc1cc(-n2ncc(C(=O)OCC)c2N)n2nc3nc(C)cc(C)c3c2n1 5345838 AXLRWNODXYYXJL-UHFFFAOYSA-N 393.451 2.791 0 40 GFAB CCOC(=O)N1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 24938179 GIULUQAWDDITCD-KRWDZBQOSA-N 381.476 2.930 0 40 GFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3nccn3C)C[C@H]2C[C@@H]1Oc1ccccn1 2332242583 BDDSHZJUYPXJPJ-YRPNKDGESA-N 392.507 2.851 0 40 GFAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OC)c(OC)c(OC)c2)N1 36025423 COBLTLPBNAVOBY-VQIMIIECSA-N 396.443 2.970 0 40 GFAB biogenic NC(=O)[C@@H]1CC(C(=O)OCc2cccc(Cl)c2)=NN1c1ccc(F)cc1 40052134 HLVWXTNXJJJGJN-INIZCTEOSA-N 375.787 2.643 0 40 GFAB COc1ccc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3=O)c(OC)c1 40057406 SREPQNZYRUAZQM-GOSISDBHSA-N 396.443 2.888 0 40 GFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32103474 HNCRHPIVDKTSPK-OAHLLOKOSA-N 395.850 2.971 0 40 GFAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1)C(C)C 20730459 YUNWTYSUGMTMCK-RDJZCZTQSA-N 390.871 2.918 0 40 GFAB O=C(CS(=O)(=O)CCCc1ccccc1)NCc1nc2ccccc2s1 32475447 OQTZCVHAXOCLAU-UHFFFAOYSA-N 388.514 2.960 0 40 GFAB CC1=C(C)C[C@H]2C(=O)N(NC(=O)COc3ccc(Cl)cc3C)C(=O)[C@@H]2C1 102195284 OHDLKMZGQHHEHM-HUUCEWRRSA-N 376.840 2.790 0 40 GFAB CCOc1ccc(C(=O)CCC(=O)NCc2ccc(-n3cccn3)nc2)cc1 32901070 FGCQRSAHKLRTPT-UHFFFAOYSA-N 378.432 2.945 0 40 GFAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 103463810 HGZAWDIVNTUUFU-TUKIKUTGSA-N 382.382 2.885 0 40 GFAB C[C@H]1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 23394462 RCVYPXOEXRPVGP-LBPRGKRZSA-N 378.270 2.808 0 40 GFAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(Cl)c1 23977785 FIFYXVFBBDFNMX-GOSISDBHSA-N 398.887 2.831 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 24662794 WIUQHHFZTLVODT-IRXDYDNUSA-N 380.444 2.876 0 40 GFAB Cc1ccc(CC(=O)NCCS(=O)(=O)c2ccc(Br)cc2)cc1 1382539 MTTSWEGHZSYNDE-UHFFFAOYSA-N 396.306 2.890 0 40 GFAB O=C(COc1cccc(Br)c1)NC[C@@H]1COc2ccccc2O1 6260974 IMRJLSBNQRDBLM-CQSZACIVSA-N 378.222 2.784 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 7295844 GUMRSAQNYZVNCF-OAHLLOKOSA-N 384.407 2.977 0 40 GFAB COc1cccc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2C)c1 8190626 UTPNVPVUOYEPSU-UHFFFAOYSA-N 385.474 2.852 0 40 GFAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 8375300 SMWVFNNSDAHITI-UHFFFAOYSA-N 379.511 2.602 0 40 GFAB CN(Cc1ccco1)S(=O)(=O)c1ccc(I)cc1 44300255 GWKYBRKIEXIFNO-UHFFFAOYSA-N 377.203 2.705 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CC[C@H]2CCCO2)c1 58168665 LMJHWILMALKNSM-NVXWUHKLSA-N 382.526 2.795 0 40 GFAB NC(=O)[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1 10323459 RMTWRZPSDFHDLE-QGZVFWFLSA-N 391.518 2.575 0 40 GFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)nc1 10719372 MXRLVZLOVLMMNY-CQSZACIVSA-N 375.856 2.655 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 11082951 WQGQMFVVROVNGE-UHFFFAOYSA-N 397.500 2.916 0 40 GFAB CCOc1ccccc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11257663 KCWYQAMGSUMLGD-KRWDZBQOSA-N 388.489 2.718 0 40 GFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 45675106 FIDDZWIXZHBSFF-AWEZNQCLSA-N 378.375 2.888 0 40 GFAB CCCN1C(=S)N[C@H](c2ccc3c(c2)OCCO3)C(C(=O)OCC)=C1C 20985410 MMVTZABYGXGITD-QGZVFWFLSA-N 376.478 2.936 0 40 GFAB Cc1ccc(F)c(CN2CCC3(CC2)C[C@@H](NS(=O)(=O)C2CC2)CCO3)c1 108533682 VSTYXIFRMWVEKS-KRWDZBQOSA-N 396.528 2.730 0 40 GFAB COc1ccc(-c2nnc(S)n2CC(=O)NCCc2ccccc2F)cc1 12761060 REMNMMGCUBLZJV-UHFFFAOYSA-N 386.452 2.740 0 40 GFAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 3457053 ZVPVZOKRKJGFMV-UHFFFAOYSA-N 382.507 2.638 0 40 GFAB COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)c1 3423112 OKDKCEJIEYPHGL-CSKARUKUSA-N 385.416 2.585 0 40 GFAB O=C(CNc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCc2ccccc21 3487019 MQEUAAIMUFPMRP-UHFFFAOYSA-N 399.516 2.862 0 40 GFAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505435 YJHSWLFYVSZUMC-UHFFFAOYSA-N 394.269 2.951 0 40 GFAB Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 12978967 BAXPAMZTXFNWQZ-UHFFFAOYSA-N 379.504 2.937 0 40 GFAB C[C@H](C(=O)OCCOc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 12909524 RCILBTYZIVHXSO-RDBSUJKOSA-N 379.840 2.826 0 40 GFAB Cc1ccc(Br)cc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 48794346 CQJACDBHUZVSQF-NSHDSACASA-N 378.313 2.616 0 40 GFAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N(CC)CC)cc1 9239000 TWUJLCJLIUUOQZ-HZPDHXFCSA-N 375.498 2.613 0 40 GFAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C(=O)OC2CCCCC2)cc1 4392714 LKMZNAQDQCANFC-AWEZNQCLSA-N 379.478 2.939 0 40 GFAB Cc1cccc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113957969 LCRSTFNBWBIRLL-CYBMUJFWSA-N 382.432 2.744 0 40 GFAB CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccco2)cc1 14115112 BVLOXOVIARQLBV-HNNXBMFYSA-N 390.461 2.947 0 40 GFAB O=C(CCn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(N2CCCC2=O)cc1 14142239 JSSZZNIMUOLVSV-UHFFFAOYSA-N 394.410 2.635 0 40 GFAB Cc1ccc(SCC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C)c1 14183037 ATXUGNCQSHVELE-CQSZACIVSA-N 378.519 2.920 0 40 GFAB Cn1cccc1C(=O)N1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306131817 KQEVSOHIUIHDTG-OAQYLSRUSA-N 380.423 2.843 0 40 GFAB CC(=O)NCc1ccc(C(=O)CSc2nnc(C(F)(F)F)n2C)s1 6654173 ZKBMKHIXQYHHMU-UHFFFAOYSA-N 378.401 2.507 0 40 GFAB Nc1ccccc1C(=O)OCC(=O)Nc1ccc(I)cc1 6756769 MVEOMUWPWLKYFN-UHFFFAOYSA-N 396.184 2.669 0 40 GFAB O=S(=O)(Nn1cc(-c2ccccc2)[nH]c1=S)c1ccc2c(c1)OCCO2 6864602 OKIVUKXFOSUKFB-UHFFFAOYSA-N 389.458 2.916 0 40 GFAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NC[C@H]1CCCO1 9476656 NQMWVPNLKYUBJF-OAHLLOKOSA-N 395.411 2.840 0 40 GFAB biogenic CS(=O)(=O)Nc1ccc(C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 7026237 VKCAMOUSEUHIRR-UHFFFAOYSA-N 394.503 2.880 0 40 GFAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cn(C)nc1C 68156171 LTHXGNXJJLRJJL-KDOFPFPSSA-N 384.480 2.609 0 40 GFAB CCc1nc(CCNC(=O)CN2C(=O)CSc3ccccc32)sc1C 83820151 MBBYTJLBHWSBGM-UHFFFAOYSA-N 375.519 2.812 0 40 GFAB Cc1ccc(Cc2cnc(NC(=O)NCCN3CCOCC3)s2)cc1F 71901700 CLSDOVNCZHUVAW-UHFFFAOYSA-N 378.473 2.635 0 40 GFAB O=C(NCc1ccncc1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 17168286 DYGWOBQSZTYLGY-UHFFFAOYSA-N 385.423 2.850 0 40 GFAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(-c2nnnn2C2CC2)c1 9710403 AOLNEEPPDDEXRZ-UHFFFAOYSA-N 396.476 2.885 0 40 GFAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N1 408613679 ZHTHOHXZROOVRT-INIZCTEOSA-N 394.493 2.849 0 40 GFAB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)sc2c1CCCC2 409299021 QMMVPESRTYTPGS-FMHMXRBNSA-N 387.457 2.637 0 40 GFAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 409162554 FUTCXNVYUGCYDY-UHFFFAOYSA-N 395.488 2.784 0 40 GFAB CCn1cc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)n2CC)cn1 32604053 HCJYXIHECXHMOF-UHFFFAOYSA-N 399.476 2.928 0 40 GFAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1cccc3nccnc13)C2 72347324 CMWSWFRUPGBMQA-OAHLLOKOSA-N 390.491 2.650 0 40 GFAB Cc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc(-n2ccnc2)n1 38488268 HXEUZZWWOZHOAX-UHFFFAOYSA-N 396.882 2.515 0 40 GFAB CN(C)S(=O)(=O)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349308 BATNUDKEWOQOOW-UHFFFAOYSA-N 377.485 2.797 0 40 GFAB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 47081007 QUQSLVPSLMXIAD-UHFFFAOYSA-N 384.194 2.826 0 40 GFAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccc2oc(=O)[nH]c2c1 72391143 WSQWPDXYUXIAMI-YVWKXTFCSA-N 395.434 2.963 0 40 GFAB O=S(=O)(NC[C@@H](O)c1csc2ccccc12)c1ccc2c(c1)CCO2 225696881 GVGMCPXIUQLEAC-MRXNPFEDSA-N 375.471 2.848 0 40 GFAB CN(c1ccccc1C(=O)NCCSCc1ccccc1)S(C)(=O)=O 47219367 YNDPALHYKFFKRM-UHFFFAOYSA-N 378.519 2.746 0 40 GFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)ccc21 225687359 ZBMQIXRYYVEWAF-UHFFFAOYSA-N 394.474 2.901 0 40 GFAB O=C(O)c1cc2cc(CN3CCC(S(=O)(=O)N4CCCC4)CC3)ccc2o1 572168595 CVMOGXDJOHXFLX-UHFFFAOYSA-N 392.477 2.521 0 40 GFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1 224852851 OYQMBZBGJRMKSF-UHFFFAOYSA-N 398.554 2.770 0 40 GFAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1F 220081830 SVXYUCNSEJMIOC-UHFFFAOYSA-N 388.823 2.701 0 40 GFAB CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 573466831 SXLOUXHSPPFYHD-YTQUADARSA-N 385.464 2.586 0 40 GFAB Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1 90591984 UFRZFUVHRQEZDM-GOSISDBHSA-N 389.459 2.867 0 40 GFAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(Cc1ccsc1)C2 96077315 DGPYVZGCCIETLL-SFHVURJKSA-N 375.519 2.649 0 40 GFAB O=C1C[C@@]2(CCN(C(=O)NCCn3c4ccccc4c4ccccc43)C2)CN1 583671467 IMVKRVQMHQCXAA-QFIPXVFZSA-N 376.460 2.716 0 40 GFAB COc1ccc(C(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)cc1 96264795 GLDGSFOSFYRXHS-UHFFFAOYSA-N 385.489 2.629 0 40 GFAB NC(=O)[C@@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1 257255856 KJDZCJPNGZNDKQ-NRFANRHFSA-N 375.432 2.641 0 40 GFAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC[C@H]2C)n1 260742259 UOSJIXODRJVXTF-LLVKDONJSA-N 375.527 2.713 0 40 GFAB Cn1cnc2c1CCN(C(=O)Cc1cc3ccccc3n1C)C21CCOCC1 1615592700 ZIRCDSBSCUQWBX-UHFFFAOYSA-N 378.476 2.545 0 40 GFAB O=C(CSc1nccnc1N1CCCCC1)NCc1ccc2c(c1)OCO2 90610143 UTJDLAQNWSVKAZ-UHFFFAOYSA-N 386.477 2.604 0 40 GFAB COc1cccc(S(=O)(=O)N2CC[C@@H](c3ccc(C)cc3)[C@H]2C(=O)O)c1F 656159909 DQNSUFYHJFTEGE-KSSFIOAISA-N 393.436 2.774 0 40 GFAB NCc1cc(O)nc(CNC(=O)Nc2ccccc2SCC(F)(F)F)n1 658982883 XQNMYNVONUKBCO-UHFFFAOYSA-N 387.387 2.617 0 40 GFAB C[C@@H]1C(=O)Nc2cc(C(=O)N3CC[C@@H](Oc4cccc(F)c4)C3)ccc2N1C 680117907 IHJVBTVNUQOKIG-CXAGYDPISA-N 383.423 2.896 0 40 GFAB COc1ccc(CCC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 575614565 WRBAYHZQFUULPA-UHFFFAOYSA-N 394.397 2.785 0 40 GFAB Cc1cc(OC[C@]2(O)COCCN(CC3(O)CCCCCC3)C2)ccc1F 585282708 NBABSQRTGNPWJB-OAQYLSRUSA-N 381.488 2.662 0 40 GFAB Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 69147689 YBSWGFMIPSDFOB-LLVKDONJSA-N 386.495 2.810 0 40 GFAB CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)COc3ccc(F)cc3)c2=O)cc1 60363774 RJCHAPLQHNAKSA-IBGZPJMESA-N 384.407 2.729 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 58394166 GREXLLYGGOAWQG-UHFFFAOYSA-N 386.452 2.574 0 40 GFAB CCc1c(C)noc1-c1cnc(N2CC[C@H](O)[C@@H](C)C2)nc1-c1cnc(C)cn1 12156499 RUGKBOSDUMNVES-SGTLLEGYSA-N 394.479 2.975 0 40 GFAB Cc1nn(CCC(=O)N2CCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)c(C)c1C 12336994 MHLZJTRVSDJGGJ-SFHVURJKSA-N 396.495 2.927 0 40 GFAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 12680207 RTRSTTIGXYWKCC-HNNXBMFYSA-N 376.478 2.960 0 40 GFAB NC(=O)c1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 12929389 WHEZFCUFUBAVRC-UHFFFAOYSA-N 395.459 2.898 0 40 GFAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C)c1ccc2c(c1)OCO2 14398824 MUZBELMDADZABR-UHFFFAOYSA-N 376.434 2.519 0 40 GFAB CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 16013364 CMYPWYFYCZTSCH-DQLDELGASA-N 379.504 2.719 0 40 GFAB Cc1ccc([C@H](CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)N(C)C)cc1 19136485 NSSHBEQZWSQENG-KRWDZBQOSA-N 380.496 2.763 0 40 GFAB CCOc1ccc(CC(=O)NCc2cc(NC)nc(-c3ccncc3)n2)cc1 19533074 RDVAJEAVPMFZOL-UHFFFAOYSA-N 377.448 2.838 0 40 GFAB Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 19662805 DULKQKWKEOGEES-GOSISDBHSA-N 376.526 2.778 0 40 GFAB C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Cn1nnc(-c2ccccc2)n1 19717851 UJVFANHCLFBHBP-AWEZNQCLSA-N 392.438 2.718 0 40 GFAB COc1ccc([C@@H](C)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1OC 19719351 YSFYJYUKJVNOHL-OAHLLOKOSA-N 395.463 2.803 0 40 GFAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1 206068078 ZUACPKXRKSJZGE-UHFFFAOYSA-N 395.912 2.901 0 40 GFAB CCOc1ccc(CN2CCc3nc4ccsc4c(=O)n3CC2)cc1OC 19533922 AFGSNYSOMCVEHV-UHFFFAOYSA-N 385.489 2.924 0 40 GFAB CN(C)c1cccc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)c1 1888897381 VYSRDTLWJAMNOM-UHFFFAOYSA-N 379.464 2.727 0 40 GFAB CS(=O)(=O)N1CCc2cc(C(=O)NCc3nc4ccccc4s3)ccc21 23425007 FMESHQVQFMRWLW-UHFFFAOYSA-N 387.486 2.548 0 40 GFAB CC(C)(C)c1cc(C(=O)NC[C@@H]2COCCO2)n(Cc2ccc(F)cc2)n1 2037846154 RXGRPALZDDACLG-MRXNPFEDSA-N 375.444 2.513 0 40 GFAB COc1ccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cc1OC(C)C 2037983629 ATHYWKOTGBDSIE-NRFANRHFSA-N 376.497 2.696 0 40 GFAB COc1cccc2sc(N3CCN(c4nccn5nc(C)cc45)CC3)nc12 2087066823 NDSNLHZBMJYZII-UHFFFAOYSA-N 380.477 2.983 0 40 GFAB O=C(Cc1ccccn1)N1CCC2(CC1)Cn1c(-c3ccco3)cnc1CO2 1565542730 YDSMSUAUHPZDQX-UHFFFAOYSA-N 378.432 2.672 0 40 GFAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2c1OC(C)(C)C2 10256136 ZPVCVCAJAJDDQI-SFHVURJKSA-N 394.471 2.873 0 40 GFAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)N1CCCc2ccccc21 12440706 OLGSNCVWYLUBRT-UHFFFAOYSA-N 375.446 2.967 0 40 GFAB COc1ccc(-c2cccc(NC(=O)COc3ccc4c(c3)OCO4)c2)nn1 13614231 FDNJYIMDTMESOY-UHFFFAOYSA-N 379.372 2.898 0 40 GFAB O=C(NCCn1ccn2nc(-c3ccco3)cc12)Nc1ccc2c(c1)OCO2 206751956 CNSHZQLLJJDYLM-UHFFFAOYSA-N 379.376 2.946 0 40 GFAB CCNc1cc(C)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 17296732 XUGHQPZTEZGJGT-UHFFFAOYSA-N 377.851 2.972 0 40 GFAB COc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(C(C)=O)c2ccccc23)cc1 12416893 WSJNHNSFWHJOLK-MPBGBICISA-N 382.441 2.910 0 40 GFAB CC(C)CC[C@H](C)NC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O 40159412 JXIOIQDITSIULY-DJJJIMSYSA-N 377.510 2.931 0 40 GFAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120126 VJAKJFFLNZNFKV-WBVHZDCISA-N 397.441 2.654 0 40 GFAB CN1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)c2nc3ccccc3nc21 40132389 ZMBHJSXFHRLCAH-UHFFFAOYSA-N 384.443 2.841 0 40 GFAB Cc1ccc(OCc2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)o2)cc1 31621111 NBHOGICRNBWMMP-NSHDSACASA-N 387.469 2.644 0 40 GFAB Cc1cc(C)n(CC(=O)Nc2ccccc2SC(F)F)c(=O)c1C(N)=O 32810166 WXIQRWZOEXJSSJ-UHFFFAOYSA-N 381.404 2.517 0 40 GFAB COc1ccc(OC)c2c1CN(CC(=O)N(Cc1ccccc1)C(C)C)C[C@@H]2O 53144891 IALXXVQQLSORHL-IBGZPJMESA-N 398.503 2.990 0 40 GFAB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)c2ccc(F)cc2n1 41829010 PEUVVNQYELVJQO-OAHLLOKOSA-N 383.345 2.965 0 40 GFAB CC(=O)N[C@H](CC(=O)Nc1ccc(-n2cncn2)nc1)c1ccc(Cl)cc1 23056371 AODQCYLSUUPBHC-MRXNPFEDSA-N 384.827 2.522 0 40 GFAB COc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)n(C)n2)c1 820300 ASSUGSCCOQZUDI-UHFFFAOYSA-N 380.404 2.942 0 40 GFAB COc1cc(OC)cc([C@@H](NC(=O)c2cc(C3CC3)on2)c2nccn2C)c1 23200239 HVWDMQBPPJPYRN-GOSISDBHSA-N 382.420 2.822 0 40 GFAB O=C1[C@@H]2CCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 2183628 NCQGMLSCJCEBNE-SFHVURJKSA-N 390.915 2.669 0 40 GFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1 2373564 KPJIZIOAJCQCGH-UHFFFAOYSA-N 387.440 2.928 0 40 GFAB CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2433233 ZXDGKJVGKVGXGC-YVEFUNNKSA-N 387.432 2.809 0 40 GFAB O=S(=O)(Nc1nc2ccccc2nc1-[n+]1ccccc1)c1ccc(F)cc1 2634422 ZVVFGFFZRGXFPT-UHFFFAOYSA-N 381.412 2.846 0 40 GFAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)c1 3397760 DRDNAWGRGVPWPA-UHFFFAOYSA-N 375.377 2.517 0 40 GFAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3525302 XUKMUEQILFTNNR-AAEUAGOBSA-N 386.370 2.680 0 40 GFAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCc3ccccc32)cc1 3544814 SRAITSVDFZHQHY-CYBMUJFWSA-N 381.461 2.741 0 40 GFAB Cn1nc(C(=O)OCC(=O)Nc2cccc3ccccc23)c2ccccc2c1=O 3586013 PJWSASNTHOOZBE-UHFFFAOYSA-N 387.395 2.882 0 40 GFAB COc1ccc(-c2cc3ccc(OCc4nn[nH]n4)cc3oc2=O)cc1OC 4283264 YTYIIPKSEJJKDN-UHFFFAOYSA-N 380.360 2.569 0 40 GFAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(Cl)nc(NCc3ccco3)n2)C1 4537835 HHWFEUZQCJPBKX-QWHCGFSZSA-N 398.854 2.516 0 40 GFAB CCOC(=O)C1CCN(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)CC1 4696080 LFQDHVHGVUDXAR-UHFFFAOYSA-N 394.899 2.581 0 40 GFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 5005003 LQYDXPSBAJFCQQ-OAHLLOKOSA-N 383.514 2.531 0 40 GFAB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=N)NC1=O 5027423 GCYYTBFDBWGEKX-WDZFZDKYSA-N 385.239 2.530 0 40 GFAB CC(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCCO3)c1 5308206 XDWZXAAIPQAPFC-SOFGYWHQSA-N 381.384 2.856 0 40 GFAB CC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(C)C 5634719 PDFHEIVWZDLOCF-UHFFFAOYSA-N 399.582 2.994 0 40 GFAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 5677864 CHEKOBUEMOQIJR-ASSNKEHSSA-N 385.464 2.965 0 40 GFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 5754249 VJEDXFCQENTVNL-GFCCVEGCSA-N 386.429 2.553 0 40 GFAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)[nH]2)cc1 6160645 QUDWBFHXKSWWCH-LLVKDONJSA-N 383.429 2.829 0 40 GFAB C[C@H](NC(=O)CSc1n[nH]c(=O)n1C1CC1)C12CC3CC(CC(C3)C1)C2 6498302 AHOSRUZIMWLJHD-NZWMYCLXSA-N 376.526 2.720 0 40 GFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1C 6509956 PHXHEDSSNJTPLW-UHFFFAOYSA-N 386.448 2.894 0 40 GFAB O=C1COc2ccc(C(=O)CSc3nnc(Cc4ccccc4)o3)cc2N1 6544218 AYSWADGIVKNZOQ-UHFFFAOYSA-N 381.413 2.966 0 40 GFAB CCc1ccccc1NC(=O)COc1ccccc1[C@@H]1CC(=O)Nc2ncnn21 6605141 GWVJDZLBVXRVQB-KRWDZBQOSA-N 391.431 2.790 0 40 GFAB CCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H](O)c3ccccc3)ccc12 6658781 LRLCCRLKXROECE-LJQANCHMSA-N 381.428 2.974 0 40 GFAB COc1ccc(OC)c(NC(=S)NC(=O)c2c(OC)cccc2OC)c1 6952034 FFCGPJWISMRELR-UHFFFAOYSA-N 376.434 2.848 0 40 GFAB CCNc1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)s1 7027522 DTRRIFKOPAHWHT-UHFFFAOYSA-N 379.467 2.516 0 40 GFAB CCCNC(=O)[C@H]1CN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc2O1 7274953 GAYBWJWXASPQSU-LJQANCHMSA-N 397.475 2.811 0 40 GFAB CCn1c(CN(C)Cc2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21 7487936 PQKBKVIYRCPMSY-UHFFFAOYSA-N 376.482 2.532 0 40 GFAB CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1S(=O)(=O)N(C)C 7923249 WLHUFFCCMCFILD-UHFFFAOYSA-N 384.404 2.866 0 40 GFAB COc1cccc(CNC(=O)[C@@H](C)NC(=O)N2CC(O)=Nc3ccccc32)c1 8914621 LAUGBANZUNMBRO-CYBMUJFWSA-N 382.420 2.518 0 40 GFAB CCS(=O)(=O)c1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1 9341740 PJTPMHJUEYGGMV-UHFFFAOYSA-N 396.277 2.899 0 40 GFAB Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)CCC2=O)c1 9397583 UQRFCYQQHWSVGN-KRWDZBQOSA-N 399.491 2.976 0 40 GFAB Cc1c(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c(=O)n(-c2ccccc2)n1C 9908594 XOYUEUQLZYAETK-JOCHJYFZSA-N 391.427 2.595 0 40 GFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(F)cc1F 10971036 OMZBOWDSTAJPHS-GFCCVEGCSA-N 387.386 2.801 0 40 GFAB Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccc(F)cc4)nc(C)n32)s1 12115350 ZIGRCAVOXZRSEI-UHFFFAOYSA-N 384.436 2.783 0 40 GFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 12199594 RFWDCCRDQFVRJI-UHFFFAOYSA-N 392.864 2.514 0 40 GFAB Cc1cccc(C2(O)CCN(C(=O)c3noc(C)c3Cn3cccn3)CC2)c1 12290274 DXNLDQRIQRFIFN-UHFFFAOYSA-N 380.448 2.660 0 40 GFAB Cc1nc2sccc2c(=O)n1NC(=O)COc1ccc(Br)cc1 12891384 CCCMBRVOEZRIRO-UHFFFAOYSA-N 394.250 2.678 0 40 GFAB Cc1ccc2cc(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)[nH]c2c1 12914774 VIVKBACDRCDNOY-ROUUACIJSA-N 396.535 2.739 0 40 GFAB COc1cc(OC)cc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)c1 12945682 CJBZELRPSMZGGU-NRFANRHFSA-N 384.476 2.816 0 40 GFAB CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(=O)OC)cc2)N(C)C)cc1 13002890 NVZFREAJTZUWKK-LJQANCHMSA-N 390.505 2.617 0 40 GFAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1F 13012488 MENGABJFMSPWTA-LBPRGKRZSA-N 386.379 2.613 0 40 GFAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc21)c1ccc(F)cc1 14000175 GPRXODILCFLJQO-UHFFFAOYSA-N 376.453 2.961 0 40 GFAB CCCCC1=N[C@H]2c3c(C)cc(C)nc3S[C@H]2C(=O)N1N(C(C)=O)C(C)=O 15107193 IAVMFEFUOBPFPB-DLBZAZTESA-N 388.493 2.955 0 40 GFAB COc1cc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl 15949127 SSWNQZLHGFCSMJ-UHFFFAOYSA-N 398.868 2.860 0 40 GFAB CC(C)OCCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 16575535 TUSUZNZIXQJFLF-UHFFFAOYSA-N 397.324 2.545 0 40 GFAB COc1cc(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)nc(OC)n1 19569575 HGALCMPIABAQHY-UHFFFAOYSA-N 385.464 2.589 0 40 GFAB COc1ccc([C@@H]2NN(CN3CCOCC3)C(=S)N2Cc2ccccc2)cc1 19597100 ODKIVCKIVXPMJZ-HXUWFJFHSA-N 398.532 2.591 0 40 GFAB C[C@H](NC(=O)C1CCN(CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2 19654771 PZDXCAIHQZDHRB-KRWDZBQOSA-N 395.503 2.985 0 40 GFAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)C)c2)n1 19716901 SHUUHKJVIQNNOS-OAHLLOKOSA-N 378.498 2.695 0 40 GFAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 20245056 VYJGCVAKLVYYJA-UHFFFAOYSA-N 385.848 2.731 0 40 GFAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)CC1 21741184 PWTHUTOGNAIQNU-SNVBAGLBSA-N 388.324 2.681 0 40 GFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnc3ccccc3n2)c1C 22154724 ORAJWKITKFZLBY-LBPRGKRZSA-N 381.388 2.790 0 40 GFAB CC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 24300460 SUHNNRGUXZROHZ-UHFFFAOYSA-N 379.460 2.538 0 40 GFAB COc1ccc([C@@H](CNC(=O)c2c[nH]c3ccccc23)N2CCOCC2)cc1 24573218 CEHSNNAVICIMPB-OAQYLSRUSA-N 379.460 2.980 0 40 GFAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 30848658 YGGOPQMCDPVRBD-UHFFFAOYSA-N 382.825 2.735 0 40 GFAB COc1cc2c(cc1OC)CN(C(=O)c1cn(Cc3ccccc3)nn1)CC2 31035896 OKVMAKLEBUNKMD-UHFFFAOYSA-N 378.432 2.542 0 40 GFAB O=C(Cn1c(S)nnc1-c1cccs1)NCCSCc1ccco1 32768278 SFBWRGOEULMSQL-UHFFFAOYSA-N 380.520 2.938 0 40 GFAB O=C(c1c(F)cccc1F)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 32810656 QUFUMPDDWJOTFN-UHFFFAOYSA-N 398.406 2.641 0 40 GFAB O=C(CCc1ccccc1)Nc1nnc(SCCN2CCOCC2)s1 35311289 LCGPBYOFKRYVDP-UHFFFAOYSA-N 378.523 2.534 0 40 GFAB O=C(c1ccccc1)N1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1 36391769 VFGOHWXULBLASU-UHFFFAOYSA-N 395.478 2.775 0 40 GFAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl 36585038 KYPHERRNSLOWRX-RFAUZJTJSA-N 397.262 2.935 0 40 GFAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 36741193 DQYBXDIXNQUYHG-HSZRJFAPSA-N 397.494 2.980 0 40 GFAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1nc(-c2cccnc2)no1 40040814 LNLXWFYAPOUMMR-LBPRGKRZSA-N 391.387 2.605 0 40 GFAB COc1ncccc1C(=O)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1 44225710 YNHGRCUSMMLOTO-UHFFFAOYSA-N 394.475 2.791 0 40 GFAB COc1cc(OC)cc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c1 51315223 STVKFXHOGZQDGX-UHFFFAOYSA-N 384.344 2.840 0 40 GFAB CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 52050774 FCVBEECVVBAQBX-UHFFFAOYSA-N 377.803 2.608 0 40 GFAB COC(=O)N(C)c1ccc(NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)cc1 56450514 RFSLYZMYFNBYLU-UHFFFAOYSA-N 376.434 2.853 0 40 GFAB COc1ccc(CCC(=O)NCCN2CCN(c3ccccc3F)CC2)cc1 56997409 SNDSDVYMZFAPBS-UHFFFAOYSA-N 385.483 2.705 0 40 GFAB O=C(c1nnc2sc(-c3ccc(Br)cc3)nn12)N1CCCC1 57354605 AKKZARFERAODEF-UHFFFAOYSA-N 378.255 2.851 0 40 GFAB CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426943 ZSELDHLCNRFQSM-HNNXBMFYSA-N 399.516 2.805 0 40 GFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(SC)c2)c1=O 57485836 NBJRJKWVWCMGQE-UHFFFAOYSA-N 389.502 2.995 0 40 GFAB Cc1cccc(OCC(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1 58312140 KONAANJGXRCYNW-SFHVURJKSA-N 381.476 2.710 0 40 GFAB O=C(CCn1nnc2ccccc2c1=O)NCCn1ccc2c(Cl)cccc21 61721371 ACGLBRJZXCACNH-UHFFFAOYSA-N 395.850 2.606 0 40 GFAB CC[C@@H](C)NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208400 XJWANXJZACGJET-CQSZACIVSA-N 375.432 2.626 0 40 GFAB C[C@@H]1C[S@](=O)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 72308387 NNDXZSFKSUMAJE-RXAIFQJESA-N 388.537 2.561 0 40 GFAB COc1ccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)cc1 72348723 SKJUAHQDMMFGKC-IBGZPJMESA-N 395.503 2.795 0 40 GFAB CC[C@](C)(NCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C(F)(F)F 78970328 QSWBHAUVGIYFNW-INIZCTEOSA-N 390.358 2.519 0 40 GFAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 84549378 POBFUTVDSJCTFF-PKOBYXMFSA-N 383.423 2.714 0 40 GFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCc4cc(F)ccc4C3)c(C)c12 92096421 AIPXCKAMOWQFAR-UHFFFAOYSA-N 382.439 2.535 0 40 GFAB C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 95962759 NEJGBIQYQQGYPU-VXGBXAGGSA-N 380.416 2.591 0 40 GFAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ncnc3ccc(C)cc23)C1 95999578 OGEQQIOYESFPHP-AWEZNQCLSA-N 380.452 2.630 0 40 GFAB CN(C)c1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)cn1 96001880 GMVXUHZDONVIOA-MRXNPFEDSA-N 395.467 2.689 0 40 GFAB COc1cccc(C(=O)N2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1 96146972 CSSPZYMIYHAYDF-UHFFFAOYSA-N 387.505 2.779 0 40 GFAB COc1ccc(CN2C[C@H](C(=O)Nc3ccc4[nH]cnc4c3)CC2=O)cc1OC 96231290 ABQTVMYUWGKBAW-CQSZACIVSA-N 394.431 2.567 0 40 GFAB Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)N(C(=O)c1ccccc1)CC2 96264980 BJUVQISNDUSTAJ-SFHVURJKSA-N 380.473 2.538 0 40 GFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340615 YUPPKNVXMNEZLT-UHFFFAOYSA-N 393.362 2.937 0 40 GFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2C[C@@H]2C2CCCCC2)cc1 97113303 DQLGUEYHVXZXAH-ZSZQSSIHSA-N 394.537 2.695 0 40 GFAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(Cc3ccccc3)C[C@H]12 97758991 UWETWKRMNKDEAU-QZTJIDSGSA-N 385.508 2.634 0 40 GFAB Cc1ccc(C2=C[C@H](c3ccccc3)N3NC(N4C(=O)CCC4=O)=NC3=N2)cc1 100356757 NHDVAVZCKCCAJY-GOSISDBHSA-N 385.427 2.772 0 40 GFAB COc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C(=O)c2ccco2)cc1 100453646 RCPCFGLABKSTLI-KODHJQJWSA-N 392.411 2.700 0 40 GFAB Cc1c(C(=O)N2CC(=O)N(C)c3ccccc32)nnn1-c1ccc(Cl)cc1F 178189616 BDOYBTJCXODOFQ-UHFFFAOYSA-N 399.813 2.991 0 40 GFAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 207989654 NLGXQWPNVGQZJM-LJQANCHMSA-N 386.517 2.808 0 40 GFAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 219218995 OZQOAKPFYYSDNI-MRXNPFEDSA-N 388.489 2.868 0 40 GFAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220501433 CXIHPLKULLJKQI-IBGZPJMESA-N 390.505 2.865 0 40 GFAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222461887 GNFDZSWMUMCASM-AWEZNQCLSA-N 376.478 2.890 0 40 GFAB COc1ccc(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 222597597 VPMMYJQGHLAOBJ-UHFFFAOYSA-N 390.505 2.900 0 40 GFAB O=C(CCc1nc(-c2ccc(I)cc2)no1)N1CCCC1 225839431 VCEJRKHNHSZABN-UHFFFAOYSA-N 397.216 2.896 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccccc2)cc1C 226060485 QUBYPEWHQVCSPA-UHFFFAOYSA-N 376.478 2.677 0 40 GFAB Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)N1CCCC1 257214814 CNNJSHKPPBGSLB-SFHVURJKSA-N 384.524 2.764 0 40 GFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1C 408555193 FFKYZLHCSSNLLS-QGZVFWFLSA-N 396.553 2.957 0 40 GFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 408596545 WQEOBDMXYPHBBF-MRXNPFEDSA-N 390.505 2.799 0 40 GFAB COCCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCCn1cccn1 524730681 SMIVRFQMPQEAJZ-WOJBJXKFSA-N 376.545 2.793 0 40 GFAB biogenic Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)c2cc4c(s2)CCC4)C3)n1 575403680 JEOKWSOYWHQLGG-HNNXBMFYSA-N 385.489 2.788 0 40 GFAB O=C(CN1C(=O)CC[C@]12CCCN(CCc1ccccc1)CC2)N1CCCC1 585100749 VKECTEMAAIOOBB-QHCPKHFHSA-N 383.536 2.699 0 40 GFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3cncc(Br)c3)C2)n1 585147395 VYMYEPHJZKHGHE-OAHLLOKOSA-N 391.269 2.935 0 40 GFAB C[C@H](NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)c1cccnc1 601882080 AWPILBZPLXLNKA-HNAYVOBHSA-N 388.899 2.857 0 40 GFAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(C(F)(F)F)cnc1O 635216665 MANYMYIJQZQGQT-INIZCTEOSA-N 395.381 2.609 0 40 GFAB CC(C)(C)n1nnc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)n1 657330721 XOKGAXJCPGMAIE-CYBMUJFWSA-N 393.333 2.807 0 40 GFAB c1cncc(-c2nc3c(c(N4CCCN(C[C@@H]5CCCO5)CC4)n2)CCC3)c1 676077014 JOOVPHHWWNEZLE-SFHVURJKSA-N 379.508 2.718 0 40 GFAB O=C(OCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 797264 ZGRGMRFBWBUWIR-UHFFFAOYSA-N 395.864 2.718 0 40 GFAB Cc1c(Cl)cccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 886477 TYPPYLLBCMSWOB-UHFFFAOYSA-N 392.908 2.999 0 40 GFAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CCCC1 983557 GDMDHWVHSUFHIH-UHFFFAOYSA-N 388.489 2.603 0 40 GFAB COc1cc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC 2331648 GDOJPMUOAJGGKL-LJQANCHMSA-N 386.429 2.597 0 40 GFAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)N(C)C)cc1 3349198 QISJIEBCLNZWBE-CQSZACIVSA-N 388.411 2.694 0 40 GFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3431252 KMDHGOHLKSZKSJ-UHFFFAOYSA-N 391.445 2.505 0 40 GFAB CCOC(=O)[C@H]1[C@H](c2ccc(C(C)C)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4037337 HFTTWJOZPDZNPT-MOXWOTFGSA-N 390.476 2.976 0 40 GFAB CCc1c(C)nc2ncnn2c1N1CCC[C@H](C(=O)NCCc2ccccc2)C1 4388393 NBYRZPXMWJPDPW-SFHVURJKSA-N 392.507 2.570 0 40 GFAB COc1c(I)cc(I)cc1C=O 4599373 YXYUVJVFYYTBMB-UHFFFAOYSA-N 387.942 2.717 0 40 GFAB Nc1cc(=O)nc(SCC(=O)Nc2nccs2)n1-c1ccc(Cl)cc1 4748531 KGLOZVPBGDKUKE-UHFFFAOYSA-N 393.881 2.655 0 40 GFAB Cc1c(C)n2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1C 4912566 OLPBNBURBIYKMX-UHFFFAOYSA-N 387.443 2.505 0 40 GFAB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c1 5197945 ZWTYSTCENPITQN-LJQANCHMSA-N 397.431 2.979 0 40 GFAB COC(=O)c1sc(NC(=O)CCN2CCCCCC2)c(C(=O)OC)c1C 5445108 SGWMLXTVRJHXJB-UHFFFAOYSA-N 382.482 2.834 0 40 GFAB COC(=O)[C@@](NC(=O)c1ccc(F)cc1)(Nc1ncccc1C)C(F)(F)F 6090736 FGGCBMPCIKYZSQ-INIZCTEOSA-N 385.317 2.803 0 40 GFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 6150497 QHGOGSFYWGEDEB-IBGZPJMESA-N 394.471 2.876 0 40 GFAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 6186745 WPWOOBIAKNAZHY-UHFFFAOYSA-N 394.468 2.944 0 40 GFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7273109 GPGDNXUJCVEJHD-UHFFFAOYSA-N 383.372 2.684 0 40 GFAB COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881381 WMEHTSDRVNPEAB-YOEHRIQHSA-N 395.411 2.641 0 40 GFAB COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)N(C)C)cc1 8037421 FUKVAQIGZHSSLX-OXJNMPFZSA-N 399.466 2.606 0 40 GFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccs1 8312656 RFLRKIXUFQECRF-UONOGXRCSA-N 395.550 2.985 0 40 GFAB COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 8729421 LEMVOOSKLUFJHU-UHFFFAOYSA-N 390.461 2.630 0 40 GFAB O=C(CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)Nc1ccc(N2CCCCCC2)cc1 9157916 WRJIERYQBCMKNR-OALUTQOASA-N 399.491 2.789 0 40 GFAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 9647853 COESKKWTQHIALX-UHFFFAOYSA-N 388.445 2.541 0 40 GFAB C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc(F)cc1Cl 9839239 LDDWLMOFSHZWPR-SNVBAGLBSA-N 389.774 2.639 0 40 GFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(F)c(C)c3)ccc21 10676225 BPQOQNRAQCOSJK-UHFFFAOYSA-N 376.453 2.912 0 40 GFAB CS(=O)(=O)c1ccc(NC(=O)CNc2ccccc2Br)cc1 11621448 CZDZOAQHLAWVAR-UHFFFAOYSA-N 383.267 2.903 0 40 GFAB COc1cc(OC)c(OC)cc1CN1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 12363344 YJXDCYFODFWQFP-IYBDPMFKSA-N 378.513 2.786 0 40 GFAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccccc2)n1 12577028 WIMIDWPFGAABOL-UHFFFAOYSA-N 383.835 2.754 0 40 GFAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccc1 12635115 ZNLYKLXNXPDXMA-UHFFFAOYSA-N 391.349 2.915 0 40 GFAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c(O)c1 12819395 CIQKJBGVSNPZME-UHFFFAOYSA-N 388.489 2.887 0 40 GFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 12875799 FJYRMQUUHNNYGN-HKUYNNGSSA-N 375.472 2.892 0 40 GFAB COC(=O)c1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 12919053 WYPTUNBPHGZYHP-UHFFFAOYSA-N 381.476 2.937 0 40 GFAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc2c(c1)OCCO2 12938666 MTDQJCTWFGCUQS-UHFFFAOYSA-N 394.349 2.523 0 40 GFAB O=C(COc1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13005963 DJEBPZUNQPOQOE-UHFFFAOYSA-N 396.415 2.767 0 40 GFAB CCCCn1c(N)c(N(CCC)C(=O)/C=C/c2cccc(F)c2)c(=O)[nH]c1=O 13073324 KZRXWLQCLGVSFM-MDZDMXLPSA-N 388.443 2.514 0 40 GFAB COc1ccc(CNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 13622529 JKGSEJCNYOJEFT-YRNVUSSQSA-N 386.473 2.917 0 40 GFAB CN(CCOc1ccc(F)cc1)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 14020958 UAGUVYZQMYZMIE-UHFFFAOYSA-N 385.439 2.667 0 40 GFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1c(F)c(F)c(F)c(F)c1F 14334665 UIDIQRWBFQGWPY-OCAPTIKFSA-N 390.308 2.886 0 40 GFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(C)(=O)=O)c3)ccc12 15636021 LJGLCUBATBKJAZ-UHFFFAOYSA-N 387.413 2.522 0 40 GFAB Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)CC(C)C)CC3)ccc1F 15780629 ZQHNDGPKRCPHKI-UHFFFAOYSA-N 398.500 2.520 0 40 GFAB CCOc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842948 MMVOKZLAHXEZPW-ZDUSSCGKSA-N 388.445 2.650 0 40 GFAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858543 VBIWKBITRNRABV-UHFFFAOYSA-N 382.800 2.798 0 40 GFAB O=C(O)[C@H]1C[C@H](O)CN1C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 16807972 SLPCMDWYAIFTRV-JZCIWHOWSA-N 399.487 2.580 0 40 GFAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NC3CCCC3)cs2)cc1 16850419 VBJVGPYNXFZUSG-UHFFFAOYSA-N 379.507 2.892 0 40 GFAB COc1cn(-c2ccccc2)nc1C(=O)OCc1nc(N)c2ccccc2n1 18340825 HWZAHDGIYCNKNF-UHFFFAOYSA-N 375.388 2.763 0 40 GFAB COc1ccc2c(c1)cc(C(=O)N1CCC[C@H](c3n[nH]c4nccnc34)C1)n2C 19289740 OUUKTJLKRXFJKO-ZDUSSCGKSA-N 390.447 2.873 0 40 GFAB C[C@@H]1Cc2cc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)ccc2O1 19497983 PHSKCVOYJXGFED-OAHLLOKOSA-N 392.503 2.808 0 40 GFAB Cc1nnsc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19563475 HGIYAMPEBUMJHV-NSHDSACASA-N 387.490 2.678 0 40 GFAB CSc1ncc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)cn1 19574092 UTFVTRLWLBVDFV-UHFFFAOYSA-N 392.912 2.689 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)ccc1OC 20111011 YBGCEIFEFRWTEA-GOSISDBHSA-N 388.489 2.801 0 40 GFAB COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCCC1=O 20456920 CNDDSKJQVGPIHG-UHFFFAOYSA-N 386.473 2.569 0 40 GFAB Cc1nn(C)c(C)c1CC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 22321701 XZOGWQDFDIIJJV-UHFFFAOYSA-N 395.429 2.732 0 40 GFAB CCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)cc1 22801602 FHEMOJMSQNDAIO-GOSISDBHSA-N 399.539 2.580 0 40 GFAB CCCNC(=O)Cn1nc2c(c1NC(=O)Cc1ccccc1Cl)CSC2 23138814 ZXSQARBVHSVUHV-UHFFFAOYSA-N 392.912 2.991 0 40 GFAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(Cc2cccs2)CC1 23735397 OZELBIDMBDHFRU-UHFFFAOYSA-N 388.489 2.683 0 40 GFAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 23993723 XMWZSHFTQSUJME-UHFFFAOYSA-N 378.402 2.827 0 40 GFAB COCC(=O)Nc1cccc(NCC(=O)Nc2cc(Cl)ccc2OC)c1 29943248 NGPLYHCPLOAQLM-UHFFFAOYSA-N 377.828 2.984 0 40 GFAB COC(=O)c1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)c(C)c1 31752160 LRWJUVREOWWOLD-UHFFFAOYSA-N 389.473 2.768 0 40 GFAB Cc1cccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1C 32081006 SNOMZESJNXULNF-AWEZNQCLSA-N 388.445 2.542 0 40 GFAB Cc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 32957544 YQVSPWXQZCENRJ-ZWKOTPCHSA-N 396.487 2.794 0 40 GFAB COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 34858312 IVLMVTZOFRAIBA-OXQOHEQNSA-N 394.537 2.652 0 40 GFAB CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 39996816 QFLXLCPRYOXOAA-CYBMUJFWSA-N 389.901 2.787 0 40 GFAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 42249502 DPANYSFCJJWKHS-JXFKEZNVSA-N 383.467 2.976 0 40 GFAB CC(=O)c1cccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)c1 44903825 OWWNNPHWNYUKLJ-UHFFFAOYSA-N 384.432 2.846 0 40 GFAB C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccc(-n2ccnc2)cc1 48094781 FQJZXDOONPKVBI-OAHLLOKOSA-N 375.494 2.797 0 40 GFAB CS(=O)(=O)/N=C(\O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 48481009 ADIDUYBHIWZDEH-JTQLQIEISA-N 379.265 2.762 0 40 GFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC1CCCCCCC1 49272475 CYTMWCFPFFXOQP-GOSISDBHSA-N 378.469 2.806 0 40 GFAB CCn1c(=O)n(CC(=O)Nc2ccc(-n3ccnc3)c(F)c2)c2ccccc21 54224308 WUHRTHBCBGDKBV-UHFFFAOYSA-N 379.395 2.786 0 40 GFAB O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 54628652 UPYMHPYAEMHZLF-OAHLLOKOSA-N 395.850 2.590 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)NC1CCN(Cc2ccncc2)CC1 56422200 JWEVSDALRSPVCB-IBGZPJMESA-N 396.491 2.527 0 40 GFAB CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 58343885 GKYWZJYJDPIHQN-LLVKDONJSA-N 378.947 2.963 0 40 GFAB COc1ccc(C)cc1NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58356941 NSTCVKRIRZQODT-UHFFFAOYSA-N 396.491 2.864 0 40 GFAB CSc1nc2cc(C)n(CC(=O)Nc3nccs3)c2c(=O)n1CC(C)C 67320133 QOUIJMPOWJXKQV-UHFFFAOYSA-N 391.522 2.980 0 40 GFAB CCOc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccccc3)CCC2=O)cc1 67336673 RHRQJVYDKDXIDV-UHFFFAOYSA-N 394.431 2.641 0 40 GFAB CN1CCC(Nc2ccccc2NC(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 83877667 VOXBKUADOWZSBH-KRWDZBQOSA-N 394.523 2.838 0 40 GFAB COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC(C)C)c1ccccc1O2 96053549 ZYSHBNCJRWIPDH-KRWDZBQOSA-N 388.508 2.723 0 40 GFAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](O)c1cn(C)c2ccccc12 96096504 KFFBPFUYUVIWHM-SFHVURJKSA-N 388.489 2.816 0 40 GFAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104283 ZFTFNAFQIMRZSP-UHFFFAOYSA-N 385.420 2.514 0 40 GFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1C 96122135 BMKBRSXWMIKCAM-UHFFFAOYSA-N 397.518 2.501 0 40 GFAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccs2)CC12CCOCC2 96241149 MKHYPPVMPQHSFS-HNNXBMFYSA-N 390.530 2.995 0 40 GFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)cc1F 96503683 XBIDTGQKFRLGOA-RYUDHWBXSA-N 395.228 2.868 0 40 GFAB O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 107345281 MWJQWEJSDQAKFH-PMACEKPBSA-N 395.503 2.799 0 40 GFAB O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3cccc(Cl)c3)[C@H]2C1 107816177 AKWXQHJNYDUQSE-MJGOQNOKSA-N 376.909 2.986 0 40 GFAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CN3CCN(c4nccs4)CC3)[C@@H]1C2 109006211 DASNRJNGYIFZAE-SQNIBIBYSA-N 377.554 2.635 0 40 GFAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC1CCN(CCO)CC1 109071640 ANSLJMAWPILSCG-UHFFFAOYSA-N 376.932 2.936 0 40 GFAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C 223965342 FBHAVKORQYQHDW-QGZVFWFLSA-N 384.476 2.936 0 40 GFAB CC(=O)c1ccc(S(=O)(=O)NCCc2c(C)nn(-c3ccccn3)c2C)cc1 225583633 ZRFYDWMFOYUOPT-UHFFFAOYSA-N 398.488 2.608 0 40 GFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1Cl 226075078 PMWOKGLVKMHSCI-UHFFFAOYSA-N 376.906 2.522 0 40 GFAB Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306132737 LQORPFSXRMOYIO-LSDHHAIUSA-N 394.504 2.600 0 40 GFAB COC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408616328 GGMGCSRRUYKHDX-AWEZNQCLSA-N 396.896 2.686 0 40 GFAB O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCOC2(CCCCC2)C1 579421343 IRBNHBWNIRZGAP-UHFFFAOYSA-N 379.457 2.735 0 40 GFAB CCCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183639 XQFGLQOGSWLPRI-NRFANRHFSA-N 393.531 2.860 0 40 GFAB Cc1ccncc1CC(=O)N(C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 622853906 SJAPLDHNNVFDDF-UHFFFAOYSA-N 375.494 2.624 0 40 GFAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ccccc3F)C[C@@H]2C)c1 682756548 SNUIUWKBQGTSSU-KRWDZBQOSA-N 383.467 2.910 0 40 GFAB Cc1cc(O)c(-c2ccc3c(O)nc(=S)n(Cc4cccnc4)c3n2)c(=O)o1 1547211725 UEWGTQWYPPTUEM-UHFFFAOYSA-N 394.412 2.944 0 40 GFAB O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F 1606632810 IDPZAQAHPVRVNC-UGSOOPFHSA-N 381.411 2.904 0 40 GFAB O=S(=O)(c1cccc(-c2ccccc2)c1)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615589843 LLLOIXWSKIJTIT-LEWJYISDSA-N 398.528 2.743 0 40 GFAB Cc1ccnc(CN2CCO[C@](C)(CNC(=O)CC(C)(C)CC(F)F)C2)n1 1615610529 KPGCEQNBAZZULU-LJQANCHMSA-N 384.471 2.564 0 40 GFAB Cc1nc(N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)c2ccncc2n1 1888929667 QAXGGIGOQJZBNN-UHFFFAOYSA-N 399.458 2.822 0 40 GFAB CCc1cc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)no1 2037984953 STHNLIZBFSCJKB-OAQYLSRUSA-N 383.448 2.665 0 40 GFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894506 CQBWAHVZDQSUPJ-NQIIRXRSSA-N 385.552 2.895 0 40 GFAB Cc1sc2nc(COC(=O)Cc3ccc4c(c3)OCCO4)nc(N)c2c1C 12549739 SWACAQKDLGZHED-UHFFFAOYSA-N 385.445 2.947 0 40 GFAB COCc1nnc(NC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)s1 79493999 LZKYCGJLYPQUIV-UHFFFAOYSA-N 384.421 2.787 0 40 GFAB COc1ccc([C@@H](CNC(=O)CCc2nc3ncccc3[nH]2)N2CCCC2)cc1 79495476 YLODQDPQLWCIFH-LJQANCHMSA-N 393.491 2.852 0 40 GFAB CC(C)[C@H](OC(=O)c1cc2occc2n1C)C(=O)NCc1ccc2c(c1)OCO2 4355695 XXVYUOXCNINBCB-IBGZPJMESA-N 398.415 2.998 0 40 GFAB CC(C)OC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4553915 CLGNYRFBYDAFII-FDCRZUCXSA-N 398.459 2.612 0 40 GFAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 6706830 OBWKJWYWUIHMPM-AWEZNQCLSA-N 392.477 2.790 0 40 GFAB CCOc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1OCC 26320121 FMNDOSAGARIJAF-AWEZNQCLSA-N 393.461 2.602 0 40 GFAB C[C@H](NC(=O)COc1ccccc1C(N)=O)c1ccccc1Br 7963739 XXTCAXDJOIBHJC-NSHDSACASA-N 377.238 2.804 0 40 GFAB CC(=O)NCc1ccc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)o1 8276732 RICDMGDHLAFSNJ-UHFFFAOYSA-N 379.796 2.682 0 40 GFAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 8767836 NTGKDSJLRKMQIS-UHFFFAOYSA-N 384.910 2.857 0 40 GFAB COc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccccc2O)CC1 58167739 UXKAFWQGVMARBC-UHFFFAOYSA-N 375.856 2.815 0 40 GFAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)[nH]n1 58203355 ZYLVMYXINJZPCE-UHFFFAOYSA-N 376.463 2.510 0 40 GFAB CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc4c(c3)NC(=O)CO4)C2=O)cc1 12545663 OOXUYEDFNFYNSL-QGZVFWFLSA-N 395.415 2.550 0 40 GFAB CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)OC)c1)O[C@H](C)C2 12526037 YKWIEGVDFPHPJJ-GFCCVEGCSA-N 391.445 2.996 0 40 GFAB O=C(OCC(=O)N1CCCCCC1)C1CCN(c2nc3ccccc3o2)CC1 10653720 KKYJZKWQFINHEK-UHFFFAOYSA-N 385.464 2.990 0 40 GFAB CCOc1ccc([C@H](C)NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1 59854827 ABTNPNUEXJPIBS-AWEZNQCLSA-N 392.459 2.959 0 40 GFAB COCCN1C[C@@H](c2cc(O)n3nc(-c4cccc(C)c4)c(C)c3n2)CC1=O 100732737 VQPPDYYSOGVEOR-INIZCTEOSA-N 380.448 2.681 0 40 GFAB CCSc1nc2n(n1)[C@@H](c1cnn(C)c1)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 104611376 CUODOWOBTTYGSB-WQVCFCJDSA-N 397.508 2.782 0 40 GFAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCC(C(N)=O)CC1 48253650 YNFJELLFDCBFQE-UHFFFAOYSA-N 378.270 2.505 0 40 GFAB Cc1cc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccccc2)no1 3329037 HCFYKKWGAQYJJX-CYBMUJFWSA-N 386.481 2.917 0 40 GFAB CCc1ccc([C@@H](CNC(=O)c2sc3ncn(C)c(=O)c3c2C)N(C)C)cc1 27597353 KTQGENLLOYPLAU-MRXNPFEDSA-N 398.532 2.899 0 40 GFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(C)c1 20636881 XOOXWDQEPNQMHK-WOJBJXKFSA-N 391.471 2.760 0 40 GFAB CS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c1 12846301 JPAMYENGUSXBRH-UHFFFAOYSA-N 380.365 2.877 0 40 GFAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NC[C@@H]1CCCO1 3505276 RZCZRRWHIJYKEO-HNNXBMFYSA-N 382.460 2.956 0 40 GFAB COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1 13121977 OHVDRDXOXGFHNM-SJORKVTESA-N 399.476 2.805 0 40 GFAB COc1ccccc1N(CCCC(=O)NCc1ccccc1C)S(C)(=O)=O 113967857 IUIUDVFFRNEOMO-UHFFFAOYSA-N 390.505 2.866 0 40 GFAB CCn1c(CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)nc2ccccc21 39984988 YTZUKWKKVVQDHP-HNNXBMFYSA-N 380.448 2.987 0 40 GFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(NC(C)=O)cc1 9486358 RPKTZUJFDIFHQH-MRXNPFEDSA-N 384.388 2.903 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccsc2C(=O)OC)c1 14198685 HWCQITHNJZCUIC-UHFFFAOYSA-N 396.490 2.818 0 40 GFAB CN(C)Cc1ccccc1CNS(=O)(=O)c1ccccc1Br 14167563 LHJWQIZLUFNDLZ-UHFFFAOYSA-N 383.311 2.989 0 40 GFAB CCN(C(=O)CSc1cc(C)c2cccc(C)c2n1)[C@H]1CCS(=O)(=O)C1 4500617 OXSZFZUDVOWEFG-HNNXBMFYSA-N 392.546 2.979 0 40 GFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 14228081 LMEIQYOTOLJDMT-CQSZACIVSA-N 375.428 2.625 0 40 GFAB O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 14390887 ASTPCSXUOQXMEF-UHFFFAOYSA-N 399.466 2.680 0 40 GFAB NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 5671653 HBOFYODXMBCANF-XCVCLJGOSA-N 381.251 2.748 0 40 GFAB Cc1ccccc1Cn1c(=O)n(CC(=O)N2CCCCC2)c(=O)c2sccc21 6757683 IKICWKSUSZPVQZ-UHFFFAOYSA-N 397.500 2.594 0 40 GFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 15096170 KHLQHDYZYUHGFK-AWEZNQCLSA-N 384.461 2.504 0 40 GFAB COc1cc(C)c(CN(C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC 7453589 NLBZSARNCSLCCK-CQSZACIVSA-N 385.464 2.570 0 40 GFAB COc1cc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc(OC)c1 7667307 UNPONCHSDWUHKO-UHFFFAOYSA-N 390.461 2.668 0 40 GFAB Cc1cc2oc(=O)cc(COC(=O)C[C@H]3CCS(=O)(=O)C3)c2cc1Cl 7630521 HWLKLAQNCJIJFZ-LLVKDONJSA-N 384.837 2.623 0 40 GFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H]2C=CCC2)cc1 7938104 KKNZPEWLKQCKDT-CABCVRRESA-N 394.493 2.600 0 40 GFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1n[nH]c(=O)c2ccccc12 7987299 HAAXCKWOCJDOIG-UHFFFAOYSA-N 387.443 2.998 0 40 GFAB CCCN1CCC(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1 8130740 CCXWOEUVTLQBLK-UHFFFAOYSA-N 390.487 2.990 0 40 GFAB CCCCc1nc2ccccc2n1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 8163430 JNIRXWRUCIMVQR-FQEVSTJZSA-N 390.487 2.818 0 40 GFAB Cn1nc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1C1CC1 72296596 FQDYWUJEIXCMCT-LJQANCHMSA-N 388.899 2.754 0 40 GFAB CCN(CC)C(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 95947652 AWDONRVACDRWEQ-ROUUACIJSA-N 399.491 2.672 0 40 GFAB CCCCc1nc(C)sc1C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 72402682 HPYFXKMWWIFUHO-CYBMUJFWSA-N 396.538 2.911 0 40 GFAB COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3OC)C2)c1 89469748 VZWQYVUCQCBYHE-QGZVFWFLSA-N 390.461 2.823 0 40 GFAB O=c1c2cnc(NCc3ccc(F)cc3F)nc2nc(O)n1-c1ccc(F)cc1 67263676 OTDJVRJKNVDXMJ-UHFFFAOYSA-N 399.332 2.911 0 40 GFAB Cc1cccc(CN2CCC[C@]3(CN(Cc4cn[nH]c4)CC(F)(F)C3)C2=O)n1 306141685 WDWYUUSEGMKBQQ-IBGZPJMESA-N 389.450 2.763 0 40 GFAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408551764 ITRQVWRUFPWOKW-UHFFFAOYSA-N 396.230 2.695 0 40 GFAB CC(C)n1cc2c(n1)C1(CCN(C(=O)N(C)C)CC1)CN(C(=O)c1ccoc1)C2 306128234 GUXBQLHVZUAOOD-UHFFFAOYSA-N 399.495 2.728 0 40 GFAB COc1cccc(CCC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1OC 517416479 SGUNTBQILSABNF-GOSISDBHSA-N 382.460 2.726 0 40 GFAB COc1ccc(-c2[nH]nc3c2COC[C@@]32CCN(C(=O)c3ccco3)C2)cc1 306123495 AOXAZBDNQFLUGI-NRFANRHFSA-N 379.416 2.992 0 40 GFAB Cc1ccccc1C(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccco3)n12 306128635 HGWQQHNRIRBZLQ-UHFFFAOYSA-N 391.475 2.923 0 40 GFAB CN(C)c1ncccc1CNC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 527662023 NZUJADNRAPCFFB-UHFFFAOYSA-N 378.480 2.661 0 40 GFAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217477485 OOCQIXNTEGDLIA-CQSZACIVSA-N 392.477 2.873 0 40 GFAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1ccnc(N(C)C)n1 539419773 ORWDRPZLXMEGEC-UHFFFAOYSA-N 385.468 2.967 0 40 GFAB CCc1ccc(-c2noc([C@H](C)NC(=O)[C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@@H]4[C@H]75)n2)cc1 558631340 OXTJCFFBOZCYRD-HPIASTSVSA-N 389.455 2.803 0 40 GFAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2cnn(CC)c2C)CC1 72348251 HWLGGXJBVZKWEA-UHFFFAOYSA-N 391.475 2.871 0 40 GFAB Cc1cc(N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)n2ncnc2n1 35312002 IRJLKVKTKWUJDA-LJQANCHMSA-N 390.491 2.843 0 40 GFAB O=C1C[C@H](c2ccccc2O)Cc2c1cnc1nc(N3CCCC3)[nH]c(=O)c21 40372921 DAQJXAKRJNSEAY-GFCCVEGCSA-N 376.416 2.537 0 40 GFAB O=S(=O)(c1cnc2onc(-c3ccccc3)c2c1)N1CC(OC(F)F)C1 564397274 HPHMZFMDGYJRKD-UHFFFAOYSA-N 381.360 2.502 0 40 GFAB COc1ccc(OC)c(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1 223346193 UMOOZTFZXBABFO-UHFFFAOYSA-N 398.824 2.603 0 40 GFAB CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)Cc2ccccc2)ccc1OC 224463485 QTXKLVAWHZHADJ-UHFFFAOYSA-N 390.505 2.745 0 40 GFAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 224117175 YUORWLNZPSWAMF-KRWDZBQOSA-N 388.489 2.729 0 40 GFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 222869580 UOAWUNALAYMEJR-AWEZNQCLSA-N 390.867 2.891 0 40 GFAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225897790 DXUHBOLOTRORIO-UHFFFAOYSA-N 392.573 2.780 0 40 GFAB COCCn1nc([C@@H]2CCCN(C(=O)Nc3ccccc3C)C2)n(C2CC2)c1=O 77151281 PALJYEZZIMDABC-MRXNPFEDSA-N 399.495 2.746 0 40 GFAB CCc1nc2cc(C(=O)N3C[C@H](C(=O)OC)Oc4ccccc43)ccc2n1C 225895073 IZXYKHUSTIXVMV-GOSISDBHSA-N 379.416 2.717 0 40 GFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 222664787 VOBJJJMHOCEPMA-HNNXBMFYSA-N 388.489 2.732 0 40 GFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 96182414 GMCSBRPFHAIXSM-RBBKRZOGSA-N 377.488 2.863 0 40 GFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc(C(C)=O)c1)C=C2 96114355 BIMIIFGAGQXDER-UHFFFAOYSA-N 394.427 2.901 0 40 GFAB biogenic Cc1cncnc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 96024471 HTVNJUZEZLMUTM-UHFFFAOYSA-N 387.292 2.603 0 40 GFAB COCCn1cnc(-c2cc(C(=O)NCc3ccncc3)c3ccccn23)c1 96266793 FTOYOFLHQDSVNI-UHFFFAOYSA-N 375.432 2.774 0 40 GFAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CC[C@H]4CCCC[C@@H]4C3)ccc21 247561510 YYGZVQVCVZIGGZ-OZOXKJRCSA-N 392.565 2.944 0 40 GFAB C[C@@H]1Oc2ccc(NC(=O)[C@H](C)N3C(=O)[C@H](C)Oc4ccccc43)cc2NC1=O 253375690 QQRXAMPKSVNRPE-AVGNSLFASA-N 395.415 2.547 0 40 GFAB Cc1ccn(-c2ccccc2CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CN)C2)n1 627001775 JPEPUTAVCQSPHE-JKSUJKDBSA-N 395.429 2.849 0 40 GFAB C[C@H](NC(=O)N1CCc2c(ncn2C)C1)c1noc(-c2ccc(Cl)cc2)n1 674642578 QTMYSZXPSGFASV-NSHDSACASA-N 386.843 2.952 0 40 GFAB CCc1nnc(N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)nc1CC 1255800584 NHZQZFRGYFDRPZ-GOSISDBHSA-N 375.904 2.505 0 40 GFAB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H](Oc2ccncc2Cl)C1 575604844 CEVMJZNOYFTFTF-AWEZNQCLSA-N 394.880 2.579 0 40 GFAB C[C@H](C(=O)NCc1ccccc1OC(F)(F)F)n1nc2c(cc1=O)CCC2 585150507 OPDPCAHLHQKIFQ-LLVKDONJSA-N 381.354 2.508 0 40 GFAB COc1ccc(-c2ncnc(N3CCN(C(=O)C4CC=CC4)CC3)c2F)cc1 1776008640 LMZKLDCMHUHHPY-UHFFFAOYSA-N 382.439 2.906 0 40 GFAB O=C(NCc1cccnc1-n1cccn1)c1ccc(Cl)c(N2CCCC2=O)c1 46730005 WTGSZVVTMBRGID-UHFFFAOYSA-N 395.850 2.978 0 40 GFAB COC(=O)c1ccc(-c2cn([C@H]3CCC[C@@]4(CC=CCOC4)[C@@H]3O)nn2)cc1 1547139807 JSZPLCSSKADBIA-QKNQBKEWSA-N 383.448 2.781 0 40 GFAB CCn1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)n1 1615121069 MQKKANNYHOCSQL-JOCHJYFZSA-N 396.491 2.640 0 40 GFAB Cn1c(COc2ccc3cc(Br)ccc3c2)cc(=O)n(C)c1=O 11202683 VLJXGXQOJIQFHM-UHFFFAOYSA-N 375.222 2.579 0 40 GFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 14222792 UXXMFXOMDAPWKO-UHFFFAOYSA-N 388.424 2.830 0 40 GFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 16090519 SZPYGRPNQZBLEV-UHFFFAOYSA-N 392.452 2.513 0 40 GFAB CCn1nc(C)c([C@@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2C)c1C 19523753 UUFKKGUEEVUMAN-GFCCVEGCSA-N 382.468 2.909 0 40 GFAB Cc1ncsc1C(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 19561995 FDMQZJGSRGTXHN-NYTJIUQPSA-N 382.489 3.000 0 40 GFAB Cc1cccc(CCNC(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)c1 19750002 PXRFQRNMRBJKER-UHFFFAOYSA-N 395.503 2.578 0 40 GFAB CCC(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2OC)CC1 19756562 AZTJKUHCOCMRDK-UHFFFAOYSA-N 398.507 2.550 0 40 GFAB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Cl)c2)cc1 8117570 IRDBUPFKNVMBOK-MDWZMJQESA-N 385.807 2.758 0 40 GFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)NC3(CCCCCC3)C2=O)n1 6831763 MNLAWBRKJDMVPX-UHFFFAOYSA-N 395.467 2.651 0 40 GFAB Cc1cc(C)c(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)[nH]1 12923301 RVEJZVVQIGGXDA-UHFFFAOYSA-N 376.840 2.665 0 40 GFAB COc1ccc(Br)c(C(=O)N(C)C2CN(c3ccccn3)C2)c1 1888890163 JYLWHIWZBGDLLL-UHFFFAOYSA-N 376.254 2.814 0 40 GFAB Cc1nnsc1C(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889122793 ILBIIAHXALHNMX-PWSUYJOCSA-N 383.399 2.611 0 40 GFAB COC(=O)c1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 16200224 GESVGCOOZCQMCM-UHFFFAOYSA-N 397.406 2.971 0 40 GFAB CC(=O)Nc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 26144248 VPHWNCDEBOFJCQ-UHFFFAOYSA-N 388.493 2.827 0 40 GFAB CCN=c1[nH]c([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)c2sccn12 2037838479 ITCIRYMMELZQIH-HNNXBMFYSA-N 390.534 2.916 0 40 GFAB Cc1c(CCC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cnn1C 2037909218 DYXSJGCNTFRNNA-NRFANRHFSA-N 389.471 2.623 0 40 GFAB O=C(c1ccncc1F)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037988913 NHBSDQMCSRYBQZ-NRFANRHFSA-N 383.423 2.649 0 40 GFAB CC(C)(C)c1cn2nc(N3CCCN(c4nccn5nccc45)CC3)ccc2n1 2087055241 TYWUEQZQZULYRG-UHFFFAOYSA-N 390.495 2.786 0 40 GFAB Cc1cccc(C)c1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)cc2)c1N 4877986 XDLTXZMMDMIHHG-UHFFFAOYSA-N 382.399 2.507 0 40 GFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)cc1F 7458810 GLBVUTWVCWATAK-UHFFFAOYSA-N 375.306 2.911 0 40 GFAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccco1 9573746 ZPKQMEFOIMSQLE-UHFFFAOYSA-N 396.472 2.880 0 40 GFAB O=C(/C=C/c1cccs1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 2055754643 LSBXEQYMHBKYBA-UVMZSDQUSA-N 391.496 2.945 0 40 GFAB COCCNC(=O)CSc1nnc(C)c2cnn(-c3ccc(C)c(C)c3)c12 23137802 QLEKRDKBVFXAOA-UHFFFAOYSA-N 385.493 2.595 0 40 GFAB COc1cccc2sc(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2086887066 VXTAIKVWOZGTST-CYBMUJFWSA-N 397.447 2.768 0 40 GFAB CCN1CCN(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)C(=O)C1=O 207000457 HYZRUAXQCWBUJP-HNNXBMFYSA-N 395.912 2.631 0 40 GFAB Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)c1 49405859 PMECZDIQCLKNPN-UHFFFAOYSA-N 389.459 2.610 0 40 GFAB Cc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2298122920 KRROBGLBUHITOK-GOSISDBHSA-N 393.478 2.581 0 40 GFAB CCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cccc(F)c21 100893907 RJHXMXGEONQVNX-VZCXRCSSSA-N 383.404 2.585 0 40 GFAB O=C(CN1CCCN(C(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc2C1 32776803 BPPBNVXVQYHAAT-UHFFFAOYSA-N 395.478 2.559 0 40 GFAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 32915912 IYTBBBLRVOYGMP-UHFFFAOYSA-N 388.323 2.686 0 40 GFAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(C)c4ncccc34)cnc21 32908748 ZZGSOMAZEMXKMI-UHFFFAOYSA-N 389.415 2.604 0 40 GFAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 21848340 WUBCKFVZUVLJGY-OAGGEKHMSA-N 399.457 2.852 0 40 GFAB CC(=O)N1CCN(Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)CC1 22023863 WIUCQRWTCHPOQW-UHFFFAOYSA-N 396.516 2.933 0 40 GFAB CN(C)S(=O)(=O)c1cccc(CSc2nc3sccc3c(=O)n2C)c1 22121135 YQIGNNHLRUEPCL-UHFFFAOYSA-N 395.531 2.538 0 40 GFAB Cc1nc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)nn1-c1ccc(F)cc1 22193319 HIMCUTGMKTVOPE-UHFFFAOYSA-N 379.395 2.859 0 40 GFAB O=C1C[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 22933040 KTRZKIFPGSCOJO-HXRGIAOBSA-N 393.462 2.789 0 40 GFAB COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 605652 RFDMNXDDRXVJTM-NXXSPTCGSA-N 384.384 2.615 0 40 GFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1 645287 PYDLVTMKJXKYSU-UHFFFAOYSA-N 382.869 2.930 0 40 GFAB O=C1c2ccccc2C(=O)N1CCCc1nnc(-c2ccc3c(c2)OCO3)o1 2803663 XDURPNQTBRXBPG-UHFFFAOYSA-N 377.356 2.694 0 40 GFAB CC[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1 3333570 UKISEBWGHRCMNJ-IBGZPJMESA-N 390.480 2.852 0 40 GFAB COc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 3362299 ROQDYPGUFRYFCS-UHFFFAOYSA-N 388.773 2.888 0 40 GFAB Cc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)no1 3373492 XYHFZFVYRQKOLV-UHFFFAOYSA-N 376.463 2.511 0 40 GFAB COc1cc(OC)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)n(C)c2c1 4000284 OURHBVQPRVYDIX-INIZCTEOSA-N 382.416 2.621 0 40 GFAB biogenic C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 4580421 HNSNKMPSOKDMRK-ALCBUZAKSA-N 397.434 2.785 0 40 GFAB COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OC)c1 4643788 DVOJHKSYCJSMKF-FQEVSTJZSA-N 395.415 2.688 0 40 GFAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccc(F)cc1 4853636 INQSSANZAMKKEP-UHFFFAOYSA-N 383.401 2.807 0 40 GFAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(F)cc2)c1 5062618 XBNADYVWSZVIMW-UHFFFAOYSA-N 382.432 2.925 0 40 GFAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccco2)cc1 5346317 OHMSCIICEKACOZ-HXUWFJFHSA-N 391.427 2.727 0 40 GFAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccco2)CSC3)cc1 5418987 DRAWGEYOGKTQCI-UHFFFAOYSA-N 382.445 2.775 0 40 GFAB CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2[C@@H](C)COC)c1 6173364 IRTUJKXUSUMDAJ-LBPRGKRZSA-N 384.527 2.846 0 40 GFAB COc1cc(CC(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc(OC)c1OC 6525514 RKEFWAYTWZNHTM-KBPBESRZSA-N 379.453 2.588 0 40 GFAB Cc1cc(I)cnc1NC(=S)NC(=O)CC(C)C 6572506 HZGCWQYNRQJBBW-UHFFFAOYSA-N 377.251 2.854 0 40 GFAB CCOC(=O)CCCNC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 6937971 RXQIKGYVACQXAI-UHFFFAOYSA-N 388.493 2.696 0 40 GFAB Cc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)s1 7784910 VCCHWWMITCZBIQ-QGZVFWFLSA-N 390.490 2.839 0 40 GFAB Cc1ccc(C)c(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C(N)=O)c1 7814960 RJQUPDDNFOULCP-UHFFFAOYSA-N 382.416 2.547 0 40 GFAB CCOC(=O)CN(C(=O)COC(=O)c1c(F)cccc1F)c1ccc(F)cc1 7989927 ZWPCVOUYNGFKJJ-UHFFFAOYSA-N 395.333 2.857 0 40 GFAB C[C@H](NC(=O)CNC(=O)COc1ccccc1)c1ccccc1Br 8088497 AWJFXYQIFFMEPJ-ZDUSSCGKSA-N 391.265 2.822 0 40 GFAB O=C([C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1)N1CCOCC1 8162564 ZEHMTHMSFCUGMH-NRFANRHFSA-N 379.460 2.825 0 40 GFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Cl)cc2)s1 8474457 RCJQLGYTWASNNG-UHFFFAOYSA-N 396.856 2.791 0 40 GFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1ccccc1 8770405 WHCFAWDXEMKQTA-UHFFFAOYSA-N 381.363 2.801 0 40 GFAB CCOC(=O)c1ccc(NC(=O)CSCc2nnnn2-c2ccccc2)cc1 8935433 USJGXCMMYYJSDJ-UHFFFAOYSA-N 397.460 2.711 0 40 GFAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc3ccccc3c2)cc1C 9571088 NQQYUZSNHKFANM-UHFFFAOYSA-N 393.472 2.911 0 40 GFAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(C)c(C)c2)c(OC)c1 9571314 YXOBBPRUEOKMRY-UHFFFAOYSA-N 382.424 2.618 0 40 GFAB Cc1csc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)n1 9600135 XGOUAEBQWFLONZ-UHFFFAOYSA-N 381.464 2.879 0 40 GFAB CCCn1c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c2ccccc21 9762629 HZLYGKCUXAFZMP-HNNXBMFYSA-N 392.459 2.977 0 40 GFAB COc1cccc([C@@H]2c3c(-c4ccc(C)cc4)nnc(O)c3Nc3nnnn32)c1 10232575 GZKCKZNXFJOCIW-GOSISDBHSA-N 387.403 2.847 0 40 GFAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(N3CCCC3)cc2)c1 10430240 NNCWSZILSRPWNN-UHFFFAOYSA-N 383.448 2.673 0 40 GFAB C[C@H](Cc1ccc(F)cc1)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220783 ZAJFZISAUXEJHM-GHNFSYLKSA-N 381.451 2.829 0 40 GFAB CC[C@H](CO)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12241914 JGAXMEQDUPUBQF-CQSZACIVSA-N 394.418 2.846 0 40 GFAB CCOc1ccc(CC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 12365119 NBRNLZSZKGWAPZ-MRXNPFEDSA-N 379.464 2.711 0 40 GFAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 12536269 PCATZLRDZDNTPN-UHFFFAOYSA-N 388.898 2.829 0 40 GFAB COC(=O)c1ccc2c(=O)n(CCSc3ccc(C)c(C)c3)c(=O)[nH]c2c1 12743055 GZKFXMKGPQEWLX-UHFFFAOYSA-N 384.457 2.886 0 40 GFAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC[C@@H]1CCCO1 12911582 QOQGHUCCKGHXJV-AWEZNQCLSA-N 393.505 2.846 0 40 GFAB O=C(CCc1ccc2c(c1)OCCO2)O[C@@H](C(=O)NC1CC1)c1ccccc1 12949414 FGIROXOUMBHKKC-OAQYLSRUSA-N 381.428 2.954 0 40 GFAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 13020386 ZQNWBBADMGHVBT-LBPRGKRZSA-N 384.306 2.663 0 40 GFAB Cc1c(CC(=O)Nc2nnn[nH]2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 13653545 PUJRPFDAMVGQQL-UHFFFAOYSA-N 381.392 2.839 0 40 GFAB COCCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 13717141 SXLSRBHJXRBHQF-UHFFFAOYSA-N 381.226 2.600 0 40 GFAB CCc1nnc2sc(-c3ccc(CNS(=O)(=O)c4ccccc4)cc3)nn12 13954858 VZKRLEUBHDLDQI-UHFFFAOYSA-N 399.501 2.894 0 40 GFAB CCCc1nnc(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)s1 14197508 HLVMNCAGZNQRCV-UHFFFAOYSA-N 377.495 2.908 0 40 GFAB C[C@@H]1CN(Cn2nc(-c3cccs3)n(C[C@@H]3CCCO3)c2=S)CCO1 14242287 WPXAPKQUKKRRNY-KGLIPLIRSA-N 380.539 3.000 0 40 GFAB O=C([C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)C1)N1CCCCCC1 19402044 ZOZAXSIHVPYVJG-PMACEKPBSA-N 398.551 2.939 0 40 GFAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19403320 BDKQBYXACJRIQH-CYBMUJFWSA-N 388.424 2.839 0 40 GFAB CCN1CCN(CCCNc2c(C)c(C)nc3cc(-c4cc(C)on4)nn23)CC1 19528191 UHTLMXOAHZGATG-UHFFFAOYSA-N 397.527 2.749 0 40 GFAB COc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2=O)cc1 19586402 HEDVRNRONADNRE-MRXNPFEDSA-N 398.459 2.724 0 40 GFAB CN1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 19590395 BXWUTIHUGQVDAL-KRWDZBQOSA-N 382.483 2.942 0 40 GFAB CC(C)(C)c1csc(CCNC(=O)CCn2cnc3ccccc3c2=O)n1 19661755 SWWLKFOWJHAJDY-UHFFFAOYSA-N 384.505 2.900 0 40 GFAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1CN(Cc1ccc(-c3ccccc3)cc1)C2 19713014 ITRCFLJUTCAPEP-BJKOFHAPSA-N 391.515 2.913 0 40 GFAB CCc1cccc(CC)c1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20490450 OIZBCXOQNGBEMV-GOSISDBHSA-N 388.489 2.977 0 40 GFAB CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C(C)C)nn2c1N 20636120 VYJILRQFFPSXCJ-UHFFFAOYSA-N 385.424 2.691 0 40 GFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2)c1 22229776 WDXRYYRGBYMXES-KRWDZBQOSA-N 392.452 2.935 0 40 GFAB CCCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 22380939 MAUPYVJKABJEGA-UHFFFAOYSA-N 392.477 2.889 0 40 GFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(CCCc4ccccc4)CC3)C2=O)cc1 22972165 RZPHORQUHOIJAY-JOCHJYFZSA-N 391.515 2.877 0 40 GFAB Cc1ccc(NC(=O)CSc2c(C)nn(-c3nnc(C)c(O)n3)c2C)cc1 27756612 PPHAVFPRKGLCBS-UHFFFAOYSA-N 384.465 2.727 0 40 GFAB O=C(Cc1ccccc1F)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 31042729 LLLZQVIMPHWFRN-UHFFFAOYSA-N 386.452 2.824 0 40 GFAB CCOc1ccc([C@H](NC(=O)CCN2C(=O)CCC2=O)C(C)C)cc1OCC 32755661 IPMJUAXIOHVERM-OAQYLSRUSA-N 390.480 2.836 0 40 GFAB COc1ccc(CC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 32818676 FZZDOUOQAMCLKJ-JOCHJYFZSA-N 381.520 2.733 0 40 GFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 32909326 YRXMEDKBIAHNHL-FXAWDEMLSA-N 396.443 2.716 0 40 GFAB O=C(Cc1noc2ccccc12)N1CCN(Cc2ccc3c(c2)CCO3)CC1 34870260 BRDGHJPGIMQQLT-UHFFFAOYSA-N 377.444 2.650 0 40 GFAB Cc1nnc(Sc2ccc([C@@H]3N[C@H](C(=O)O)CS3)cc2[N+](=O)[O-])s1 35339446 KCTOAMPABIEJMO-GZMMTYOYSA-N 384.464 2.694 0 40 GFAB COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c(Br)cnn12 36615724 NKTSYJFMDYGVDU-UHFFFAOYSA-N 376.166 2.674 0 40 GFAB COCCN(CCOC)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 40017169 HYGOJEBEHALZMI-UHFFFAOYSA-N 383.448 2.648 0 40 GFAB COc1ccccc1NC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 40105473 FISQJJCXXMNMHW-UHFFFAOYSA-N 388.512 2.541 0 40 GFAB COC(=O)c1c(NC(=O)c2cccc(OCC(=O)N(C)C)c2)sc(C)c1C 40140506 UZNATADWCDJJEK-UHFFFAOYSA-N 390.461 2.871 0 40 GFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1OC 41153022 JXSYJGANBQKAFU-UHFFFAOYSA-N 389.433 2.541 0 40 GFAB CN1CCN(Cc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)CC1 41617665 PXBGKLYTUUNONZ-UHFFFAOYSA-N 377.492 2.882 0 40 GFAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 44115424 NTMZJTUATDYBIB-HKUYNNGSSA-N 381.432 2.929 0 40 GFAB CC[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1 44884045 JTRQQPXYLRKKKG-LJQANCHMSA-N 390.505 2.724 0 40 GFAB COc1cccc(C(=O)NNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1O 57120741 MMOJWCFKCFXGLR-UHFFFAOYSA-N 398.440 2.691 0 40 GFAB CCCN1C(=O)N[C@H](CC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C1=O 60016569 NYDTXPKRSIXSCG-YSDSKTICSA-N 383.492 2.796 0 40 GFAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ncccn5)CC4)[C@H]3C=C12 61999322 OIVSDSZMJGFJMJ-IVKZONNUSA-N 394.519 2.833 0 40 GFAB biogenic CCOC(=O)C1CCN(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)CC1 62023135 URGWJIOTTKTUSE-UHFFFAOYSA-N 391.468 2.673 0 40 GFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(F)cc1)O2 64988563 JPWHSDXIMNLJCU-QGZVFWFLSA-N 378.425 2.690 0 40 GFAB O=C(OCc1nc(Cl)ccc1Cl)c1cccc(-n2[nH]c(=O)ccc2=O)c1 65575584 KOVPYHGTQGWQGN-UHFFFAOYSA-N 392.198 2.585 0 40 GFAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2snnc2C)CC1 72348256 KCKJINALVYOBCJ-UHFFFAOYSA-N 381.461 2.506 0 40 GFAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 72349202 CIYCHQJQRAAJIX-QGZVFWFLSA-N 387.443 2.657 0 40 GFAB COc1cccc(Oc2nccnc2C2CCN(C(=O)Cn3cccn3)CC2)c1 72363105 OAQQNVVJCLJKOQ-UHFFFAOYSA-N 393.447 2.880 0 40 GFAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)CC(C)C)CCO1 72389009 MAJCACRQZBMRJB-QHCPKHFHSA-N 395.503 2.681 0 40 GFAB Cc1cc2ncn(C[C@@H](O)CNC(=O)c3ccccc3-n3cccn3)c2cc1C 89609017 YVTCGDFIFRMKEP-KRWDZBQOSA-N 389.459 2.630 0 40 GFAB C[C@](O)(CNC(=O)[C@@H]1CCCN1c1ncnc2ccccc12)c1ccsc1 89900603 DPQLIQOCDWRHAQ-PXNSSMCTSA-N 382.489 2.684 0 40 GFAB COC(=O)c1ccc2c(c1)CN(C(=O)[C@H](C)OCc1cccc(OC)c1)CC2 95457774 MCFBADJDJJSJDO-HNNXBMFYSA-N 383.444 2.972 0 40 GFAB Cc1occc1C(=O)N1C[C@H](C(=O)NCc2cccs2)C2(CCOCC2)C1 96078708 QPJRTTYYNNARRW-QGZVFWFLSA-N 388.489 2.835 0 40 GFAB CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)[C@@H]4C[C@H]4C)nn3c2O)C1 100234297 GUGSAROJMAAULR-DDUZABMNSA-N 383.496 2.521 0 40 GFAB COc1ccc(CCCNC(=O)CN2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 100730809 XBIRYTGPYZHISR-JTSKRJEESA-N 386.492 2.555 0 40 GFAB COC(=O)[C@]1(Cc2ccccc2F)NC(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100775265 VWGFVKDUEFPTQV-KKLQWCBXSA-N 396.462 2.833 0 40 GFAB Cc1cccn2c(NC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(-c3ccccc3)nc12 107416878 FDJNIEJQKRKNOY-INIZCTEOSA-N 398.488 2.961 0 40 GFAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 220269089 UQRIMZLUKLRXLI-CYBMUJFWSA-N 390.461 2.771 0 40 GFAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222442164 UGESVPDSOUSBLN-OAHLLOKOSA-N 390.505 2.897 0 40 GFAB COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915692 ADCHKXRGRFMWFD-KRWDZBQOSA-N 386.467 2.938 0 40 GFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1 224923697 LAXAVRIMCDWZFD-UHFFFAOYSA-N 386.445 2.946 0 40 GFAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1 244986152 JIBAJXPLZNKTOG-HNNXBMFYSA-N 384.504 2.629 0 40 GFAB Cc1ccc(C(=O)N2CCC[C@H](Cc3cncc(-c4cnc(C)n4C)n3)C2)cn1 257267642 MIFNACMMMLKXIT-QGZVFWFLSA-N 390.491 2.984 0 40 GFAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(CN3CCCC3)cc2)[C@H]1O 257273134 NFJYIIUMPAQZBV-NJDAHSKKSA-N 382.508 2.624 0 40 GFAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NC1CC1 408612795 YWPQSOJBFYGWMA-UHFFFAOYSA-N 380.853 2.798 0 40 GFAB Cc1cccc(C)c1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O 408926067 OBASZBIZUNJXAE-UHFFFAOYSA-N 396.534 2.712 0 40 GFAB CCOCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 409117960 YHYNUSSKCOOVBG-UHFFFAOYSA-N 390.505 2.733 0 40 GFAB NC(=O)c1cc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)ccc1O 524731283 RKTLXGGMZVUTRW-UHFFFAOYSA-N 379.324 2.638 0 40 GFAB biogenic COc1cccc(-c2cc(C(=O)N[C@H]3CCCN(c4ccc(C)nn4)C3)n[nH]2)c1 532221268 OETDQPZQCYJBFQ-INIZCTEOSA-N 392.463 2.583 0 40 GFAB CN1CC[C@@H](N(C)C(=O)c2cccc(-c3cccc(N4CCNCC4)c3)c2)C1 584895447 OXNPWBAVDUPAAU-JOCHJYFZSA-N 378.520 2.539 0 40 GFAB CCOC[C@@H]1CN(C(=O)Cc2ccn(C)n2)Cc2cnn(CC3CCCC3)c21 585110873 SBDHBNDACGWAHB-SFHVURJKSA-N 385.512 2.512 0 40 GFAB COc1ccc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@H](C)C4)nc3C2)nc1 585113032 XNOILNAQZNKEOP-GJZGRUSLSA-N 384.480 2.755 0 40 GFAB O=C(N[C@@H](C[C@H]1CCCOC1)C(=O)O)c1ccc(COc2ccc(F)cc2)o1 630281901 VRVXTYXMZINXAV-DYVFJYSZSA-N 391.395 2.997 0 40 GFAB CN1CCC(n2cc(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)cn2)CC1 634091062 CLHOZBHVHWVPQF-UHFFFAOYSA-N 382.443 2.656 0 40 GFAB O=C(O)C[C@@H](C(=O)N1CCOCC2(CCOCC2)C1)c1c(F)cccc1Cl 634920724 PIHPJCAFCYCKSN-CYBMUJFWSA-N 399.846 2.693 0 40 GFAB Cn1cc(N2CCC[C@@H](NC(=O)N[C@H](Cc3ccccc3)c3ncco3)C2)cn1 654462462 XMIHSCIBDQOZBI-IEBWSBKVSA-N 394.479 2.660 0 40 GFAB CCOc1ccc(-c2csc(NC(=O)c3nnn([C@@H]4CCNC4)c3C)n2)cc1 662473499 LOSHEFGTJIPUHI-CQSZACIVSA-N 398.492 2.895 0 40 GFAB O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ncc(F)cn2)C(=O)C1 1565522438 IDJUCGGOZYFXNQ-UHFFFAOYSA-N 397.237 2.731 0 40 GFAB